Detailed results of ER382A_XRay_em_bcr3 by PSVS
Output from PDBStat
Output from PROCHECK
Ramachandran Plot for all models
Text summary of Ramachandran Plot
+----------<<< P R O C H E C K S U M M A R Y >>>----------+
| |
| ER382A_XRay_em_bcr3_noHs_000.rin 0.0 452 residues |
| |
+| Ramachandran plot: 88.9% core 10.6% allow 0.5% gener 0.0% disall |
| |
*| All Ramachandrans: 18 labelled residues (out of 430) |
+| Chi1-chi2 plots: 2 labelled residues (out of 287) |
JPEG image for all model Ramachandran Plot
Residue Properties for all models
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Model Secondary Structures from Procheck
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Ramachandran Plots for each residue
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Ramachandran analysis for each residue from Molprobity
Chi1-Chi2 Plots for each residue
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JPEG for residue Chi1-Chi2 Plots - page $num_n
Procheck G-factors for phi-psi for each residue
JPEG image for residue phi-psi G-factors
Table of Procheck G-factors for phi-psi for ordered residues
#phipsi_gfactor
#Residue\Model average
4 -0.78
5 -0.40
6 -0.05
7 -0.71
8 -0.73
9 -0.20
10 0.17
11 -0.81
12 -0.73
13 -2.27
14 -1.80
15 -1.33
16 -0.44
17 -0.58
18 -0.26
19 -0.19
20 -0.45
21 -1.55
22 -0.79
23 -0.93
24 0.11
25 0.18
26 0.26
27 -0.38
28 0.13
29 -0.64
30 0.23
31 -0.48
32 -0.35
33 -0.38
34 -3.34
35 -0.53
36 -3.12
37 -0.96
38 -0.44
39 -0.84
40 -1.37
41 -0.63
42 -0.12
43 -1.11
44 0.28
45 1.14
46 0.17
47 0.34
48 -1.48
49 -0.42
50 -0.09
51 0.16
52 -0.73
53 -0.94
54 -0.36
55 -0.49
56 -0.29
69 -1.32
70 -1.15
71 -0.40
72 -0.05
73 -0.35
74 -1.06
75 -0.26
76 1.04
77 -0.45
78 0.11
79 -0.49
80 -1.45
81 -0.33
82 -0.08
83 0.13
84 -0.81
85 -0.94
86 -0.91
87 0.13
88 -1.69
89 -0.50
90 0.02
91 0.30
92 -0.21
93 -0.66
94 0.39
95 -0.46
96 -0.13
97 -0.33
98 -0.34
99 -0.41
100 -1.18
101 -3.12
102 -3.12
103 -0.10
104 -0.19
105 -0.56
106 -0.52
107 -0.37
108 -0.70
109 -0.61
110 -0.69
111 1.13
112 0.19
113 0.31
114 -2.11
115 -0.35
116 0.34
117 0.49
118 -0.73
119 -0.69
120 -0.20
121 -0.68
122 -0.02
135 -0.48
136 -0.25
137 0.23
138 -0.05
139 -0.94
140 -1.03
141 -0.79
142 -3.52
143 -0.66
144 -1.30
145 -1.68
146 -2.67
147 -0.90
148 -0.22
149 -0.13
150 -0.43
151 -0.24
152 -0.48
153 0.40
154 -0.84
155 -0.46
156 -0.27
157 0.23
158 0.18
159 -1.52
160 0.41
161 -0.64
162 0.23
163 -0.48
164 -0.27
165 -0.44
166 -3.34
167 -0.45
168 -0.65
169 0.68
170 -0.65
171 -0.84
172 -0.52
173 -0.39
174 -0.68
175 -0.46
176 1.14
177 0.83
178 0.19
179 0.05
180 -1.68
181 -1.10
182 -0.23
183 0.16
184 -0.56
185 -0.88
186 -0.33
187 -0.43
188 -0.06
189 -2.19
202 -0.74
203 -0.63
204 0.40
205 -0.40
206 -0.32
207 -1.00
208 -0.18
209 0.85
210 0.11
211 -1.30
212 -2.93
213 -2.67
214 -1.54
215 -0.22
216 -0.13
217 -0.70
218 -0.31
219 -0.52
220 0.62
221 -0.73
222 -0.46
223 -0.13
224 0.30
225 -0.14
226 -1.56
227 0.39
228 -0.47
229 0.41
230 -0.47
231 -1.29
232 -0.51
233 -0.85
234 -3.12
235 -3.12
236 -1.58
237 -0.61
238 -1.03
239 -0.94
240 -0.35
241 -1.47
242 -0.46
243 1.14
244 -0.45
245 -0.34
246 0.34
247 -2.03
248 -0.63
249 -1.60
250 -0.09
251 -0.76
252 -0.88
253 -0.50
254 -0.45
255 -0.17
256 -0.02
269 -0.28
270 -0.27
271 0.37
272 -0.40
273 -0.32
274 -0.78
275 -0.41
276 0.68
277 -0.28
278 -0.09
279 -0.61
280 -0.94
281 0.16
282 -0.16
283 -0.75
284 -0.70
285 -0.10
286 -0.23
287 0.37
288 -1.46
289 -0.16
290 -0.70
291 0.64
292 0.26
293 -0.38
294 1.05
295 0.10
296 0.31
297 -0.35
298 0.06
299 -0.12
306 -0.49
307 -0.42
308 -0.70
309 -0.19
310 -0.49
311 0.93
312 0.34
313 -0.05
314 -0.79
315 -0.63
316 0.28
317 0.49
318 -1.46
319 -0.81
320 -0.83
321 -0.44
322 -0.10
335 -1.29
336 -1.69
337 -0.13
338 -0.40
339 -0.32
340 -0.78
341 -0.42
342 -1.06
343 0.18
344 -0.89
345 -0.49
346 -1.66
347 -0.46
348 -0.16
349 -0.01
350 -0.83
351 -0.58
352 -0.45
353 0.54
354 -1.11
355 -0.32
356 -0.15
357 0.30
358 -0.21
359 -0.66
360 -1.04
361 -0.80
362 -0.13
363 -0.76
364 -0.38
365 -0.51
366 -3.34
367 -0.60
368 -1.28
369 -0.39
370 -0.12
371 -0.66
372 -1.17
373 -0.36
374 -1.38
375 -0.19
376 0.60
377 0.11
378 -0.45
379 -0.73
380 -1.68
381 -0.39
382 -0.77
383 -0.91
384 -0.74
385 -0.49
386 -0.44
387 -0.43
388 -0.38
401 -0.14
402 -0.95
403 -0.13
404 -0.32
405 -0.49
406 -1.88
407 -0.34
408 0.49
409 0.19
410 -1.78
411 -0.68
412 -1.30
413 0.00
414 -0.18
415 0.49
416 -0.35
417 -0.28
418 -0.74
419 0.54
420 -0.76
421 0.00
422 0.02
423 0.64
424 0.27
425 -0.25
426 0.89
427 -0.31
428 0.31
429 -0.05
430 -3.70
431 -0.76
432 -3.34
433 -1.37
434 -1.47
435 -3.49
436 -1.50
437 -0.77
438 -1.55
439 -1.16
440 -0.27
441 -0.46
442 0.90
443 -0.44
444 0.02
445 0.05
446 -2.03
447 -0.39
448 -1.71
449 -0.33
450 -0.52
451 -0.49
452 -0.16
453 -0.28
454 -0.02
455 -0.55
468 0.11
469 -0.81
470 0.58
471 -0.05
472 -0.32
473 -1.45
474 -0.47
475 0.17
476 -0.31
477 -0.09
478 -0.42
479 -1.07
480 -0.86
481 -0.20
482 -1.14
483 -0.11
484 -0.79
485 -0.93
486 0.01
487 -0.84
488 -0.32
489 -0.27
490 0.64
491 0.26
492 -0.60
493 0.16
494 -0.58
495 0.05
496 -0.39
497 -3.70
498 -0.12
499 -1.18
500 -3.12
501 -0.86
505 -0.27
506 -0.42
507 -0.34
508 -0.23
509 -2.09
510 0.93
511 0.29
512 0.23
513 -1.21
514 -0.34
515 0.34
516 0.16
517 -0.91
518 -0.81
519 -0.20
520 -0.56
521 -0.24
534 -3.49
535 -3.49
536 -3.49
537 -3.49
538 -2.04
#Reported_Model_Average -0.564
#Overall_Average_Reported -0.564
Procheck G-factors for all dihedral angles for each residue
JPEG image for residue all dihedral G-factors
Table of Procheck G-factors for all dihedrals for ordered residues
#alldih_gfactor
#Residue\Model average
3 -0.03
4 -1.25
5 -0.07
6 -0.56
7 -0.26
8 -0.73
9 -0.25
10 -0.09
11 -0.36
12 -0.73
13 -0.54
14 -0.81
15 -0.41
16 -0.12
17 -0.73
18 -0.74
19 -0.19
20 -0.36
21 -1.55
22 -0.09
23 -0.32
24 0.14
25 0.46
26 0.60
27 -0.63
28 0.13
29 -0.02
30 0.41
31 -0.60
32 -0.61
33 -0.28
34 -1.60
35 -0.15
36 -1.83
37 -0.96
38 -0.37
39 -0.84
40 -0.59
41 0.17
42 -0.44
43 -0.20
44 0.55
45 0.04
46 0.46
47 0.46
48 -1.10
49 0.24
50 -0.15
51 0.33
52 -0.22
53 0.06
54 -0.93
55 -0.97
56 0.27
57 -0.48
68 -0.72
69 -1.02
70 -1.26
71 0.01
72 0.46
73 0.23
74 -1.06
75 0.11
76 -0.93
77 -0.35
78 0.11
79 0.12
80 -0.32
81 -0.75
82 -0.78
83 0.45
84 -0.21
85 -0.94
86 -0.30
87 0.13
88 -0.89
89 0.16
90 0.09
91 0.78
92 0.52
93 -0.01
94 0.39
95 0.05
96 0.13
97 0.02
98 -0.31
99 -0.48
100 -0.55
101 -1.27
102 -1.27
103 -0.10
104 -0.06
105 -0.56
106 0.14
107 -0.14
108 -0.87
109 -1.34
110 -0.12
111 0.49
112 0.34
113 0.03
114 -0.73
115 0.16
116 0.16
117 0.49
118 0.05
119 -0.44
120 -0.19
121 -1.30
122 0.04
123 -1.04
134 0.37
135 -0.60
136 -0.28
137 0.24
138 -0.04
139 -0.37
140 -1.03
141 -0.16
142 -1.98
143 -1.33
144 -1.30
145 -1.21
146 -1.24
147 -0.20
148 0.35
149 0.32
150 -0.46
151 -0.24
152 -0.56
153 0.40
154 0.02
155 0.00
156 0.05
157 0.68
158 0.57
159 -1.20
160 0.41
161 -0.07
162 -0.01
163 -0.25
164 -0.42
165 -0.46
166 -2.07
167 -0.92
168 -1.31
169 0.68
170 0.15
171 -0.84
172 -0.17
173 0.08
174 -0.71
175 -0.54
176 0.92
177 0.35
178 0.66
179 0.32
180 -0.51
181 0.01
182 -0.22
183 0.49
184 0.14
185 0.09
186 -0.20
187 -0.20
188 0.63
189 -1.96
190 -1.32
201 -0.72
202 -0.73
203 -0.21
204 0.31
205 -0.22
206 -0.07
207 -1.00
208 0.40
209 1.02
210 -0.51
211 -1.30
212 -2.89
213 -1.24
214 -0.33
215 -0.58
216 -0.51
217 -0.59
218 -0.31
219 -0.10
220 0.62
221 -1.56
222 0.22
223 -0.07
224 0.60
225 0.28
226 -0.76
227 0.39
228 0.02
229 0.40
230 -0.05
231 -1.01
232 -0.12
233 -0.36
234 -2.17
235 -2.05
236 -1.58
237 -1.24
238 -1.03
239 0.24
240 -0.52
241 -0.93
242 -0.54
243 0.93
244 -0.16
245 -0.69
246 0.46
247 -1.38
248 -1.01
249 -1.81
250 0.17
251 -0.29
252 -0.09
253 0.02
254 -1.65
255 0.54
256 -0.59
257 -3.11
268 0.66
269 0.30
270 -1.23
271 0.36
272 -0.33
273 -0.07
274 -0.78
275 -0.65
276 0.69
277 -0.49
278 -0.09
279 -0.27
280 -0.37
281 0.49
282 0.08
283 -0.81
284 -0.17
285 -0.10
286 -0.44
287 0.37
288 -0.17
289 0.17
290 -0.21
291 0.78
292 0.48
293 0.05
294 1.05
295 0.15
296 -0.38
297 -0.53
298 -0.26
299 -0.52
300 0.20
305 0.00
306 -0.15
307 -0.45
308 -0.87
309 -0.64
310 0.11
311 0.40
312 0.16
313 0.35
314 -0.06
315 0.30
316 -0.99
317 0.49
318 -0.34
319 -0.37
320 -0.15
321 -0.99
322 0.24
323 -0.56
334 0.88
335 -1.00
336 -1.80
337 0.11
338 0.00
339 0.24
340 -0.78
341 0.17
342 -1.03
343 0.14
344 -0.89
345 0.19
346 -0.74
347 -0.02
348 -1.11
349 -0.15
350 -0.30
351 -0.58
352 -0.01
353 0.54
354 -0.86
355 0.15
356 -0.51
357 0.60
358 0.36
359 -0.77
360 -1.04
361 -2.09
362 0.40
363 0.06
364 -0.48
365 -0.01
366 -2.99
367 -1.65
368 -0.91
369 -0.39
370 -0.79
371 -0.66
372 -0.49
373 -0.42
374 -1.62
375 -0.05
376 0.66
377 -0.12
378 -1.15
379 -0.49
380 -1.20
381 0.32
382 -0.41
383 -0.31
384 0.02
385 -0.09
386 -0.27
387 -1.10
388 -0.05
389 -2.01
400 1.06
401 -0.43
402 -0.55
403 0.11
404 0.30
405 -0.15
406 -1.88
407 0.15
408 0.51
409 -0.86
410 -1.78
411 0.10
412 -0.55
413 0.44
414 -0.18
415 -0.20
416 -0.04
417 -0.28
418 -0.14
419 0.54
420 -0.79
421 -0.08
422 -0.36
423 0.95
424 0.43
425 -0.10
426 0.89
427 -0.36
428 0.53
429 0.16
430 -2.14
431 0.16
432 -1.71
433 -0.90
434 -1.48
435 -3.49
436 -0.13
437 -0.77
438 -0.68
439 -0.81
440 -0.66
441 -0.77
442 0.86
443 -1.05
444 0.56
445 -0.52
446 -0.83
447 0.07
448 -0.96
449 0.09
450 -0.37
451 0.11
452 -0.73
453 0.13
454 0.45
455 -0.09
456 -0.92
467 -0.72
468 -0.30
469 -0.35
470 0.55
471 0.35
472 -0.07
473 -1.45
474 -0.67
475 -0.18
476 -0.47
477 -0.09
478 0.08
479 -0.13
480 0.01
481 -1.25
482 -1.01
483 -0.46
484 -0.79
485 -0.57
486 0.01
487 -1.15
488 0.05
489 -0.57
490 0.78
491 0.76
492 -0.45
493 0.16
494 0.01
495 -0.52
496 -0.01
497 -2.22
498 -0.65
499 -1.39
500 -2.37
501 -1.24
502 0.00
504 0.00
505 0.27
506 -0.30
507 -0.54
508 -0.79
509 -0.64
510 0.23
511 0.60
512 0.52
513 -0.28
514 0.42
515 0.58
516 0.52
517 -0.60
518 -0.11
519 0.16
520 -0.44
521 0.30
522 -2.42
533 0.00
534 -3.49
535 -3.49
536 -3.49
537 -3.49
538 -2.04
539 0.00
#Reported_Model_Average -0.366
#Overall_Average_Reported -0.366
Output from Verify3D
Verify3D Score over a window of $winsize_s residues
JPEG image for Verify3D Score
Table of Verify3D scores for ordered residues across all models
#verify3d
#Residue\Model only_model
3 0.34
4 0.23
5 1.14
6 0.66
7 0.91
8 0.49
9 0.55
10 0.47
11 0.51
12 1.10
13 0.24
14 -0.83
15 -0.54
16 -0.68
17 0.55
18 0.23
19 1.10
20 0.47
21 0.59
22 0.28
23 -0.94
24 0.51
25 0.51
26 0.51
27 0.55
28 1.10
29 0.29
30 1.00
31 0.17
32 1.14
33 0.20
34 0.34
35 0.25
36 0.25
37 1.10
38 0.09
39 0.14
40 0.23
41 0.10
42 0.81
43 0.51
44 0.71
45 0.51
46 0.51
47 1.00
48 0.59
49 0.25
50 0.93
51 -0.94
52 0.28
53 0.24
54 -0.68
55 0.28
56 0.20
57 -0.41
68 0.34
69 0.59
70 0.51
71 1.25
72 -0.09
73 0.91
74 0.49
75 0.55
76 0.47
77 0.51
78 1.10
79 0.24
80 -0.83
81 -0.54
82 -0.68
83 0.55
84 0.51
85 1.10
86 0.47
87 0.59
88 0.04
89 -0.94
90 0.51
91 0.23
92 0.23
93 0.08
94 1.10
95 0.29
96 1.00
97 0.17
98 0.52
99 1.04
100 0.34
101 0.25
102 0.25
103 1.10
104 0.09
105 -0.25
106 0.23
107 0.10
108 0.81
109 0.51
110 0.24
111 0.23
112 0.51
113 1.00
114 0.59
115 -0.57
116 0.93
117 -0.94
118 0.28
119 0.24
120 -0.68
121 0.28
122 0.20
123 -0.41
134 0.34
135 0.59
136 0.23
137 1.25
138 1.00
139 0.91
140 0.49
141 0.55
142 0.47
143 0.51
144 1.10
145 0.24
146 0.23
147 -0.54
148 -0.68
149 0.55
150 0.51
151 1.10
152 0.47
153 0.59
154 0.04
155 -0.94
156 0.51
157 0.23
158 0.23
159 0.08
160 1.10
161 0.29
162 1.00
163 0.17
164 0.52
165 0.20
166 0.34
167 0.25
168 0.25
169 1.10
170 0.09
171 0.14
172 0.23
173 -0.57
174 0.81
175 0.51
176 0.24
177 0.23
178 0.51
179 1.00
180 0.59
181 -0.87
182 0.93
183 -0.94
184 -0.59
185 0.24
186 -0.68
187 0.28
188 0.20
189 -0.41
190 -0.41
201 0.34
202 0.59
203 0.23
204 1.25
205 -0.09
206 0.91
207 0.49
208 0.55
209 0.47
210 0.51
211 1.10
212 0.24
213 -0.83
214 -0.54
215 -0.68
216 0.55
217 0.23
218 1.10
219 0.47
220 0.59
221 0.04
222 -0.94
223 0.51
224 0.23
225 0.23
226 0.08
227 1.10
228 0.29
229 1.00
230 0.17
231 0.52
232 0.20
233 0.34
234 0.25
235 0.25
236 1.10
237 0.09
238 0.14
239 0.23
240 0.25
241 0.81
242 0.51
243 0.24
244 0.23
245 0.51
246 1.00
247 0.17
248 0.25
249 0.93
250 -0.94
251 0.28
252 0.24
253 -0.68
254 0.28
255 0.20
256 -0.41
257 -0.41
268 0.34
269 0.59
270 0.51
271 1.25
272 0.66
273 0.91
274 0.49
275 0.55
276 0.47
277 0.51
278 1.10
279 0.24
280 1.00
281 -0.54
282 -0.68
283 0.55
284 0.51
285 1.10
286 0.47
287 0.59
288 0.28
289 -0.28
290 0.51
291 0.23
292 0.23
293 0.08
294 1.10
295 0.29
296 1.00
297 0.34
298 1.14
299 1.04
300 0.51
305 0.49
306 -0.83
307 0.10
308 0.81
309 0.09
310 0.24
311 0.23
312 0.51
313 1.00
314 0.59
315 0.25
316 0.81
317 -0.28
318 0.28
319 0.71
320 -0.68
321 0.28
322 0.20
323 -0.41
334 0.17
335 0.34
336 0.51
337 1.25
338 -0.09
339 0.91
340 0.49
341 0.55
342 0.47
343 0.51
344 1.10
345 0.24
346 1.00
347 -0.54
348 -0.68
349 0.55
350 0.23
351 1.10
352 0.47
353 0.59
354 0.04
355 -0.28
356 0.51
357 0.51
358 0.51
359 0.08
360 1.10
361 0.29
362 1.00
363 0.17
364 1.14
365 0.20
366 0.34
367 0.25
368 0.25
369 1.10
370 0.51
371 0.14
372 -0.83
373 0.25
374 0.81
375 0.09
376 0.71
377 0.51
378 0.51
379 1.00
380 0.59
381 -0.57
382 0.93
383 -0.28
384 0.28
385 0.71
386 -0.68
387 0.28
388 0.20
389 -0.41
400 0.34
401 0.17
402 0.51
403 1.25
404 -0.09
405 0.91
406 0.49
407 0.55
408 0.47
409 0.51
410 1.10
411 0.24
412 0.91
413 -0.54
414 -0.68
415 0.55
416 0.51
417 1.10
418 0.47
419 0.59
420 0.04
421 -0.94
422 0.51
423 0.23
424 0.23
425 0.08
426 1.10
427 -0.68
428 1.00
429 0.17
430 0.52
431 0.20
432 0.34
433 0.25
434 -0.03
435 1.10
436 0.51
437 0.14
438 -0.83
439 0.25
440 0.81
441 0.51
442 0.24
443 0.23
444 0.51
445 1.00
446 0.59
447 0.25
448 0.93
449 -0.28
450 0.28
451 0.71
452 -0.68
453 0.28
454 0.20
455 -0.41
456 -0.41
467 0.34
468 0.59
469 0.51
470 1.14
471 0.66
472 0.91
473 0.49
474 0.55
475 0.47
476 0.51
477 1.10
478 0.24
479 1.00
480 -0.54
481 0.29
482 0.55
483 0.51
484 1.10
485 0.47
486 0.59
487 0.28
488 -0.54
489 0.51
490 0.23
491 0.23
492 0.08
493 1.10
494 -0.68
495 1.00
496 0.17
497 1.14
498 0.20
499 0.51
500 0.25
501 0.10
502 1.10
504 0.14
505 -0.83
506 0.25
507 0.81
508 0.51
509 0.24
510 0.23
511 0.51
512 1.00
513 0.59
514 -0.03
515 0.81
516 -0.28
517 0.28
518 0.71
519 -0.68
520 0.28
521 0.20
522 -0.41
533 1.10
534 1.10
535 1.10
536 1.10
537 1.10
538 1.10
539 1.10
#Reported_Model_Average 0.357
#Overall_Average_Reported 0.357
Output from ProsaII
ProsaII Score over a window of $winsize_s residues
JPEG image for ProsaII Score
Table of Verify3D scores for ordered residues across all models
#verify3d
#Residue\Model only_model
3 0.34
4 0.23
5 1.14
6 0.66
7 0.91
8 0.49
9 0.55
10 0.47
11 0.51
12 1.10
13 0.24
14 -0.83
15 -0.54
16 -0.68
17 0.55
18 0.23
19 1.10
20 0.47
21 0.59
22 0.28
23 -0.94
24 0.51
25 0.51
26 0.51
27 0.55
28 1.10
29 0.29
30 1.00
31 0.17
32 1.14
33 0.20
34 0.34
35 0.25
36 0.25
37 1.10
38 0.09
39 0.14
40 0.23
41 0.10
42 0.81
43 0.51
44 0.71
45 0.51
46 0.51
47 1.00
48 0.59
49 0.25
50 0.93
51 -0.94
52 0.28
53 0.24
54 -0.68
55 0.28
56 0.20
57 -0.41
68 0.34
69 0.59
70 0.51
71 1.25
72 -0.09
73 0.91
74 0.49
75 0.55
76 0.47
77 0.51
78 1.10
79 0.24
80 -0.83
81 -0.54
82 -0.68
83 0.55
84 0.51
85 1.10
86 0.47
87 0.59
88 0.04
89 -0.94
90 0.51
91 0.23
92 0.23
93 0.08
94 1.10
95 0.29
96 1.00
97 0.17
98 0.52
99 1.04
100 0.34
101 0.25
102 0.25
103 1.10
104 0.09
105 -0.25
106 0.23
107 0.10
108 0.81
109 0.51
110 0.24
111 0.23
112 0.51
113 1.00
114 0.59
115 -0.57
116 0.93
117 -0.94
118 0.28
119 0.24
120 -0.68
121 0.28
122 0.20
123 -0.41
134 0.34
135 0.59
136 0.23
137 1.25
138 1.00
139 0.91
140 0.49
141 0.55
142 0.47
143 0.51
144 1.10
145 0.24
146 0.23
147 -0.54
148 -0.68
149 0.55
150 0.51
151 1.10
152 0.47
153 0.59
154 0.04
155 -0.94
156 0.51
157 0.23
158 0.23
159 0.08
160 1.10
161 0.29
162 1.00
163 0.17
164 0.52
165 0.20
166 0.34
167 0.25
168 0.25
169 1.10
170 0.09
171 0.14
172 0.23
173 -0.57
174 0.81
175 0.51
176 0.24
177 0.23
178 0.51
179 1.00
180 0.59
181 -0.87
182 0.93
183 -0.94
184 -0.59
185 0.24
186 -0.68
187 0.28
188 0.20
189 -0.41
190 -0.41
201 0.34
202 0.59
203 0.23
204 1.25
205 -0.09
206 0.91
207 0.49
208 0.55
209 0.47
210 0.51
211 1.10
212 0.24
213 -0.83
214 -0.54
215 -0.68
216 0.55
217 0.23
218 1.10
219 0.47
220 0.59
221 0.04
222 -0.94
223 0.51
224 0.23
225 0.23
226 0.08
227 1.10
228 0.29
229 1.00
230 0.17
231 0.52
232 0.20
233 0.34
234 0.25
235 0.25
236 1.10
237 0.09
238 0.14
239 0.23
240 0.25
241 0.81
242 0.51
243 0.24
244 0.23
245 0.51
246 1.00
247 0.17
248 0.25
249 0.93
250 -0.94
251 0.28
252 0.24
253 -0.68
254 0.28
255 0.20
256 -0.41
257 -0.41
268 0.34
269 0.59
270 0.51
271 1.25
272 0.66
273 0.91
274 0.49
275 0.55
276 0.47
277 0.51
278 1.10
279 0.24
280 1.00
281 -0.54
282 -0.68
283 0.55
284 0.51
285 1.10
286 0.47
287 0.59
288 0.28
289 -0.28
290 0.51
291 0.23
292 0.23
293 0.08
294 1.10
295 0.29
296 1.00
297 0.34
298 1.14
299 1.04
300 0.51
305 0.49
306 -0.83
307 0.10
308 0.81
309 0.09
310 0.24
311 0.23
312 0.51
313 1.00
314 0.59
315 0.25
316 0.81
317 -0.28
318 0.28
319 0.71
320 -0.68
321 0.28
322 0.20
323 -0.41
334 0.17
335 0.34
336 0.51
337 1.25
338 -0.09
339 0.91
340 0.49
341 0.55
342 0.47
343 0.51
344 1.10
345 0.24
346 1.00
347 -0.54
348 -0.68
349 0.55
350 0.23
351 1.10
352 0.47
353 0.59
354 0.04
355 -0.28
356 0.51
357 0.51
358 0.51
359 0.08
360 1.10
361 0.29
362 1.00
363 0.17
364 1.14
365 0.20
366 0.34
367 0.25
368 0.25
369 1.10
370 0.51
371 0.14
372 -0.83
373 0.25
374 0.81
375 0.09
376 0.71
377 0.51
378 0.51
379 1.00
380 0.59
381 -0.57
382 0.93
383 -0.28
384 0.28
385 0.71
386 -0.68
387 0.28
388 0.20
389 -0.41
400 0.34
401 0.17
402 0.51
403 1.25
404 -0.09
405 0.91
406 0.49
407 0.55
408 0.47
409 0.51
410 1.10
411 0.24
412 0.91
413 -0.54
414 -0.68
415 0.55
416 0.51
417 1.10
418 0.47
419 0.59
420 0.04
421 -0.94
422 0.51
423 0.23
424 0.23
425 0.08
426 1.10
427 -0.68
428 1.00
429 0.17
430 0.52
431 0.20
432 0.34
433 0.25
434 -0.03
435 1.10
436 0.51
437 0.14
438 -0.83
439 0.25
440 0.81
441 0.51
442 0.24
443 0.23
444 0.51
445 1.00
446 0.59
447 0.25
448 0.93
449 -0.28
450 0.28
451 0.71
452 -0.68
453 0.28
454 0.20
455 -0.41
456 -0.41
467 0.34
468 0.59
469 0.51
470 1.14
471 0.66
472 0.91
473 0.49
474 0.55
475 0.47
476 0.51
477 1.10
478 0.24
479 1.00
480 -0.54
481 0.29
482 0.55
483 0.51
484 1.10
485 0.47
486 0.59
487 0.28
488 -0.54
489 0.51
490 0.23
491 0.23
492 0.08
493 1.10
494 -0.68
495 1.00
496 0.17
497 1.14
498 0.20
499 0.51
500 0.25
501 0.10
502 1.10
504 0.14
505 -0.83
506 0.25
507 0.81
508 0.51
509 0.24
510 0.23
511 0.51
512 1.00
513 0.59
514 -0.03
515 0.81
516 -0.28
517 0.28
518 0.71
519 -0.68
520 0.28
521 0.20
522 -0.41
533 1.10
534 1.10
535 1.10
536 1.10
537 1.10
538 1.10
539 1.10
#Reported_Model_Average 0.357
#Overall_Average_Reported 0.357
Output from MolProbity
VdW violations from MAGE
JPEG image for MAGE VdW violation
Table of MAGE VdW violations for ordered residues across all models
#mage_clash
#Residue\Model only_model
3.000 0
4.000 0
5.000 1
6.000 2
7.000 0
8.000 1
9.000 1
10.000 0
11.000 0
12.000 0
13.000 1
14.000 0
15.000 0
16.000 0
17.000 0
18.000 0
19.000 0
20.000 0
21.000 0
22.000 0
23.000 0
24.000 0
25.000 2
26.000 0
27.000 2
28.000 1
29.000 0
30.000 1
31.000 0
32.000 1
33.000 0
34.000 1
35.000 7
36.000 2
37.000 0
38.000 1
39.000 0
40.000 1
41.000 0
42.000 0
43.000 2
44.000 0
45.000 0
46.000 0
47.000 1
48.000 0
49.000 1
50.000 0
51.000 1
52.000 1
53.000 1
54.000 6
55.000 0
56.000 0
57.000 0
58.000 0
59.000 0
60.000 0
61.000 0
62.000 0
63.000 0
64.000 0
65.000 0
66.000 0
67.000 0
68.000 0
69.000 0
70.000 0
71.000 3
72.000 0
73.000 0
74.000 0
75.000 0
76.000 1
77.000 1
78.000 0
79.000 0
80.000 0
81.000 0
82.000 0
83.000 0
84.000 0
85.000 0
86.000 2
87.000 0
88.000 0
89.000 1
90.000 0
91.000 0
92.000 0
93.000 0
94.000 0
95.000 0
96.000 1
97.000 0
98.000 0
99.000 1
100.000 0
101.000 1
102.000 1
103.000 0
104.000 0
105.000 1
106.000 0
107.000 0
108.000 0
109.000 2
110.000 0
111.000 0
112.000 1
113.000 1
114.000 0
115.000 0
116.000 1
117.000 1
118.000 0
119.000 0
120.000 0
121.000 0
122.000 0
123.000 0
124.000 0
125.000 0
126.000 0
127.000 0
128.000 0
129.000 0
130.000 0
131.000 0
132.000 0
133.000 0
134.000 0
135.000 0
136.000 0
137.000 1
138.000 1
139.000 0
140.000 2
141.000 1
142.000 0
143.000 2
144.000 0
145.000 1
146.000 2
147.000 0
148.000 0
149.000 0
150.000 0
151.000 0
152.000 2
153.000 1
154.000 0
155.000 0
156.000 0
157.000 0
158.000 0
159.000 0
160.000 0
161.000 0
162.000 0
163.000 0
164.000 0
165.000 1
166.000 0
167.000 0
168.000 2
169.000 0
170.000 2
171.000 0
172.000 0
173.000 0
174.000 0
175.000 0
176.000 0
177.000 0
178.000 0
179.000 0
180.000 0
181.000 1
182.000 0
183.000 0
184.000 0
185.000 0
186.000 0
187.000 0
188.000 0
189.000 0
190.000 0
191.000 0
192.000 0
193.000 0
194.000 0
195.000 0
196.000 0
197.000 0
198.000 0
199.000 0
200.000 0
201.000 0
202.000 0
203.000 0
204.000 1
205.000 1
206.000 0
207.000 1
208.000 1
209.000 0
210.000 2
211.000 0
212.000 3
213.000 0
214.000 0
215.000 8
216.000 0
217.000 0
218.000 0
219.000 0
220.000 0
221.000 0
222.000 3
223.000 0
224.000 0
225.000 0
226.000 0
227.000 0
228.000 1
229.000 1
230.000 0
231.000 0
232.000 0
233.000 0
234.000 7
235.000 1
236.000 0
237.000 1
238.000 0
239.000 0
240.000 1
241.000 0
242.000 3
243.000 0
244.000 1
245.000 1
246.000 0
247.000 0
248.000 1
249.000 2
250.000 0
251.000 1
252.000 6
253.000 0
254.000 1
255.000 0
256.000 3
257.000 0
258.000 0
259.000 0
260.000 0
261.000 0
262.000 0
263.000 0
264.000 0
265.000 0
266.000 0
267.000 0
268.000 0
269.000 0
270.000 0
271.000 0
272.000 1
273.000 0
274.000 1
275.000 0
276.000 0
277.000 1
278.000 0
279.000 1
280.000 0
281.000 0
282.000 1
283.000 0
284.000 0
285.000 0
286.000 1
287.000 1
288.000 2
289.000 0
290.000 0
291.000 0
292.000 0
293.000 0
294.000 0
295.000 0
296.000 1
297.000 1
298.000 0
299.000 1
300.000 0
301.000 0
302.000 0
303.000 0
304.000 0
305.000 1
306.000 0
307.000 2
308.000 0
309.000 1
310.000 0
311.000 0
312.000 0
313.000 0
314.000 0
315.000 1
316.000 2
317.000 0
318.000 0
319.000 0
320.000 0
321.000 0
322.000 0
323.000 0
324.000 0
325.000 0
326.000 0
327.000 0
328.000 0
329.000 0
330.000 0
331.000 0
332.000 0
333.000 0
334.000 2
335.000 0
336.000 1
337.000 0
338.000 2
339.000 0
340.000 0
341.000 1
342.000 0
343.000 0
344.000 0
345.000 1
346.000 0
347.000 0
348.000 2
349.000 0
350.000 0
351.000 0
352.000 0
353.000 0
354.000 0
355.000 2
356.000 0
357.000 2
358.000 0
359.000 0
360.000 1
361.000 2
362.000 3
363.000 0
364.000 0
365.000 0
366.000 2
367.000 0
368.000 0
369.000 0
370.000 2
371.000 0
372.000 0
373.000 3
374.000 1
375.000 0
376.000 0
377.000 0
378.000 0
379.000 3
380.000 0
381.000 0
382.000 3
383.000 0
384.000 0
385.000 2
386.000 0
387.000 2
388.000 0
389.000 0
390.000 0
391.000 0
392.000 0
393.000 0
394.000 0
395.000 0
396.000 0
397.000 0
398.000 0
399.000 0
400.000 0
401.000 0
402.000 0
403.000 0
404.000 0
405.000 1
406.000 0
407.000 0
408.000 0
409.000 0
410.000 0
411.000 0
412.000 0
413.000 0
414.000 0
415.000 2
416.000 0
417.000 0
418.000 0
419.000 0
420.000 0
421.000 2
422.000 0
423.000 0
424.000 0
425.000 0
426.000 0
427.000 0
428.000 3
429.000 0
430.000 3
431.000 1
432.000 0
433.000 0
434.000 0
435.000 0
436.000 1
437.000 0
438.000 1
439.000 1
440.000 0
441.000 0
442.000 0
443.000 0
444.000 0
445.000 1
446.000 0
447.000 0
448.000 0
449.000 0
450.000 0
451.000 0
452.000 0
453.000 0
454.000 0
455.000 1
456.000 1
457.000 0
458.000 0
459.000 0
460.000 0
461.000 0
462.000 0
463.000 0
464.000 0
465.000 0
466.000 0
467.000 0
468.000 0
469.000 0
470.000 0
471.000 1
472.000 1
473.000 1
474.000 1
475.000 5
476.000 0
477.000 1
478.000 1
479.000 0
480.000 0
481.000 4
482.000 1
483.000 0
484.000 0
485.000 1
486.000 1
487.000 1
488.000 2
489.000 0
490.000 0
491.000 0
492.000 0
493.000 0
494.000 1
495.000 4
496.000 0
497.000 0
498.000 1
499.000 0
500.000 2
501.000 0
502.000 0
503.000 0
504.000 1
505.000 0
506.000 0
507.000 2
508.000 1
509.000 0
510.000 1
511.000 0
512.000 0
513.000 0
514.000 1
515.000 2
516.000 1
517.000 0
518.000 6
519.000 0
520.000 0
521.000 0
522.000 0
523.000 0
524.000 0
525.000 0
526.000 0
527.000 0
528.000 0
529.000 0
530.000 0
531.000 0
532.000 0
533.000 0
534.000 0
535.000 0
536.000 0
537.000 1
538.000 5
539.000 1
#Reported_Model_Average 0.469
#Overall_Average_Reported 0.469
List of bad contacts calculated by MAGE
/farm/software/bin/probe
: 6718:M 234 GLN NE2 :M 215 LEU 2HB : -0.890: 22
: 6718:M 215 LEU 2HD1 :M 205 VAL 3HG1 : -0.704: 20
: 6718:M 234 GLN 1HE2 :M 215 LEU 2HB : -0.701: 22
: 6718:M 234 GLN 1HE2 :M 215 LEU CB : -0.636: 22
: 6718:M 234 GLN NE2 :M 215 LEU CB : -0.551: 22
: 6718:M 215 LEU 3HD2 :M 234 GLN 1HE2 : -0.496: 22
: 6718:M 215 LEU CD2 :M 234 GLN 1HE2 : -0.438: 22
: 6718:M 215 LEU 2HB :M 234 GLN 2HE2 : -0.409: 22
: 6718:M 538 GLY CA :M 518 ARG 1HH1 : -0.864: 17
: 6718:M 518 ARG 1HH1 :M 538 GLY 2HA : -0.837: 17
: 6718:M 518 ARG 2HD :M 538 GLY 2HA : -0.742: 17
: 6718:M 539 GLY H :M 518 ARG 1HD : -0.557: 18
: 6718:M 538 GLY 2HA :M 518 ARG NH1 : -0.430: 17
: 6718:M 538 GLY 2HA :M 518 ARG CD : -0.429: 17
: 6718:M 35 GLN HA :M 35 GLN 2HE2 : -0.853: 21
: 6718:M 109 ASN 1HD2 :M 36 GLN 2HB : -0.610: 21
: 6718:M 35 GLN 2HE2 :M 35 GLN CA : -0.590: 21
: 6718:M 36 GLN NE2 :M 35 GLN 1HB : -0.451: 20
: 6718:M 35 GLN HA :M 35 GLN NE2 : -0.450: 21
: 6718:M 112 ASP OD2 :M 109 ASN 1HB : -0.414: 19
: 6718:M 348 LEU 3HD1 :M 338 VAL 2HG2 : -0.850: 20
: 6718:M 338 VAL 2HG2 :M 348 LEU CD1 : -0.466: 20
: 6718:M 379 VAL 1HG1 :M 382 ILE 1HD1 : -0.807: 15
: 6718:M 362 VAL 1HG2 :M 379 VAL 1HG2 : -0.674: 16
: 6718:M 362 VAL 2HG2 :M 355 ILE 1HG1 : -0.662: 17
: 6718:M 379 VAL 1HG1 :M 382 ILE CD1 : -0.499: 15
: 6718:M 362 VAL HB :M 374 ILE 3HG2 : -0.419: 18
: 6718:M 355 ILE 1HD1 :M 382 ILE 2HG1 : -0.413: 18
: 6718:M 488 ILE 1HD1 :M 515 ILE CD1 : -0.760: 18
: 6718:M 488 ILE 1HD1 :M 515 ILE 1HD1 : -0.591: 18
: 6718:M 537 GLY 2HA :M 516 ILE 3HD1 : -0.746: 17
: 6718:M 366 ASP 1HB :M 370 ASN 1HB : -0.706: 21
: 6718:M 366 ASP CB :M 370 ASN 1HB : -0.485: 21
: 6718:M 242 ASN ND2 :M 170 ASN 1HD2 : -0.670: 19
: 6718:M 242 ASN 2HB :M 244 ASP OD2 : -0.547: 21
: 6718:M 170 ASN O :M 165 HIS HA : -0.523: 20
: 6718:M 242 ASN O :M 245 ASP 1HB : -0.509: 17
: 6718:M 485 LYS 1HD :M 486 PRO 1HD : -0.667: 21
: 6718:M 76 LYS 2HD :M 77 ASP N : -0.666: 19
: 6718:M 252 ARG CG :M 252 ARG 1HH1 : -0.657: 20
: 6718:M 252 ARG 2HG :M 252 ARG 1HH1 : -0.554: 20
: 6718:M 252 ARG CG :M 252 ARG NH1 : -0.470: 20
: 6718:M 373 GLN 2HG :M 309 ASN ND2 : -0.643: 20
: 6718:M 373 GLN 1HB :M 361 LEU CD2 : -0.538: 19
: 6718:M 373 GLN 1HB :M 361 LEU 1HD2 : -0.433: 19
: 6718:M 256 HIS HD2 :M 254 GLU OE2 : -0.640: 21
: 6718:M 256 HIS O :M 256 HIS ND1 : -0.441: 21
: 6718:M 274 ALA 3HB :M 315 GLN 1HB : -0.620: 18
: 6718:M 504 ALA N :M 498 HIS CE1 : -0.610: 22
: 6718:M 431 HIS HA :M 436 ASN O : -0.609: 20
: 6718:M 228 LEU 3HD1 :M 240 GLN OE1 : -0.608: 19
: 6718:M 472 MET CE :M 495 VAL 1HG2 : -0.604: 20
: 6718:M 495 VAL 2HG2 :M 507 ILE CG2 : -0.563: 18
: 6718:M 507 ILE 2HG2 :M 495 VAL 2HG2 : -0.476: 18
: 6718:M 487 GLU O :M 495 VAL HA : -0.419: 18
: 6718:M 210 ASP CG :M 212 ARG HE : -0.601: 21
: 6718:M 212 ARG 1HH2 :M 212 ARG 1HG : -0.496: 19
: 6718:M 210 ASP OD2 :M 208 THR OG1 : -0.400: 22
: 6718:M 473 ALA 3HB :M 514 GLN 1HB : -0.581: 16
: 6718:M 336 ASP 2HB :M 385 ARG 2HB : -0.580: 21
: 6718:M 385 ARG 2HG :M 477 GLY 2HA : -0.414: 18
: 6718:M 360 GLY 1HA :M 25 ASP O : -0.567: 17
: 6718:M 28 GLY 1HA :M 357 ASP O : -0.480: 17
: 6718:M 357 ASP 2HB :M 25 ASP OD2 : -0.406: 18
: 6718:M 471 VAL 2HG2 :M 481 LEU 3HD2 : -0.561: 18
: 6718:M 481 LEU CD1 :M 500 GLN 2HB : -0.488: 23
: 6718:M 481 LEU 2HD1 :M 500 GLN 2HB : -0.471: 23
: 6718:M 481 LEU 2HD2 :M 482 THR H : -0.451: 19
: 6718:M 445 VAL 1HG2 :M 428 VAL 1HG2 : -0.555: 16
: 6718:M 405 MET CE :M 428 VAL 1HG1 : -0.493: 21
: 6718:M 439 GLN HA :M 428 VAL O : -0.422: 17
: 6718:M 430 TYR 1HB :M 415 THR 3HG2 : -0.551: 18
: 6718:M 438 MET 2HB :M 430 TYR CE2 : -0.541: 19
: 6718:M 415 THR CG2 :M 430 TYR 1HB : -0.476: 18
: 6718:M 8 ALA 3HB :M 49 GLN 1HB : -0.547: 17
: 6718:M 9 THR OG1 :M 13 ARG 1HB : -0.546: 20
: 6718:M 387 GLU 1HB :M 334 SER CB : -0.529: 22
: 6718:M 387 GLU 1HB :M 334 SER 1HB : -0.415: 22
: 6718:M 277 ASP CG :M 279 ARG HE : -0.528: 20
: 6718:M 475 LYS NZ :M 475 LYS CB : -0.527: 20
: 6718:M 475 LYS 2HE :M 510 ASP O : -0.439: 19
: 6718:M 475 LYS 1HB :M 475 LYS NZ : -0.432: 20
: 6718:M 474 THR OG1 :M 478 ARG 1HB : -0.522: 17
: 6718:M 288 GLU O :M 296 VAL HA : -0.514: 19
: 6718:M 297 SER OG :M 288 GLU 1HB : -0.490: 20
: 6718:M 137 TYR CZ :M 152 LYS 1HB : -0.511: 20
: 6718:M 153 PRO 2HD :M 152 LYS HA : -0.414: 20
: 6718:M 146 MET CE :M 140 ALA 2HB : -0.508: 22
: 6718:M 105 ALA HA :M 99 HIS HD2 : -0.508: 18
: 6718:M 181 GLN 1HB :M 140 ALA 3HB : -0.502: 18
: 6718:M 138 VAL 2HG1 :M 146 MET CE : -0.405: 22
: 6718:M 51 ILE HB :M 6 VAL HB : -0.505: 17
: 6718:M 6 VAL 1HG2 :M 53 ARG NE : -0.493: 20
: 6718:M 307 GLN 2HE2 :M 27 THR HA : -0.485: 20
: 6718:M 27 THR HA :M 307 GLN NE2 : -0.422: 20
: 6718:M 229 VAL 2HG2 :M 222 ILE 1HG1 : -0.484: 15
: 6718:M 222 ILE 1HD1 :M 249 ILE 3HD1 : -0.455: 16
: 6718:M 222 ILE 1HD1 :M 249 ILE CD1 : -0.422: 16
: 6718:M 345 ARG 1HB :M 341 THR OG1 : -0.477: 19
: 6718:M 287 PRO 2HD :M 286 LYS HA : -0.472: 20
: 6718:M 38 ASN 1HB :M 34 ASP OD1 : -0.465: 21
: 6718:M 32 TYR CE2 :M 40 MET 2HB : -0.463: 19
: 6718:M 168 GLN 2HE2 :M 168 GLN 1HB : -0.459: 22
: 6718:M 272 VAL 2HG2 :M 282 LEU 2HD1 : -0.456: 18
: 6718:M 5 TYR CZ :M 52 GLU 2HG : -0.454: 17
: 6718:M 456 HIS O :M 455 HIS O : -0.453: 22
: 6718:M 54 LEU H :M 54 LEU 2HD1 : -0.452: 17
: 6718:M 54 LEU N :M 54 LEU 2HD1 : -0.451: 17
: 6718:M 54 LEU CD1 :M 54 LEU H : -0.409: 17
: 6718:M 30 VAL 1HG2 :M 47 VAL 1HG2 : -0.451: 16
: 6718:M 143 ASP OD1 :M 145 ARG 1HB : -0.448: 21
: 6718:M 316 ILE N :M 316 ILE 2HD1 : -0.448: 16
: 6718:M 141 THR C :M 143 ASP H : -0.441: 19
: 6718:M 248 GLN 1HB :M 207 ALA 3HB : -0.443: 18
: 6718:M 71 TYR CZ :M 86 LYS 1HB : -0.436: 18
: 6718:M 71 TYR HA :M 117 ILE O : -0.426: 16
: 6718:M 86 LYS 1HB :M 71 TYR CE1 : -0.408: 18
: 6718:M 113 VAL 1HG2 :M 96 VAL 1HG2 : -0.432: 16
: 6718:M 204 TYR CE2 :M 251 GLU 1HB : -0.426: 19
: 6718:M 89 ILE 1HD1 :M 116 ILE 2HG1 : -0.421: 17
: 6718:M 421 ILE O :M 421 ILE 2HG1 : -0.420: 20
: 6718:M 237 ASN H :M 235 GLN C : -0.414: 21
: 6718:M 299 HIS CD2 :M 305 ALA HA : -0.413: 20
: 6718:M 494 LEU 3HD2 :M 508 ASN 2HD2 : -0.408: 16
: 6718:M 43 ASN HA :M 43 ASN 2HD2 : -0.404: 16
: 6718:M 101 GLN C :M 102 GLN 2HG : -0.401: 22
#sum2 ::18.76 clashscore : 18.76 clashscore B<40
#summary::6718 atoms:6718 atoms B<40:782857 potential dots:48930.0 A^2:126 bumps:126 bumps B<40:1510 score
Output from PDB validation software
Summary from PDB validation
May. 10, 03:53:40 2013
Greetings,
[ Text modified to reflect that this was run under PSVS - Aneerban Bhattacharya: Dec 2005 ]
The following checks were made on :
-----------------------------------------
DISTANCES AND ANGLES
We have checked your intra and intermolecular distances and angles with the
procedures currently in place at PDB:
==> The following solvent molecules are further away than 3.5 Angstroms from
macromolecule atoms which are available for hydrogen bonding in the
asymmetric unit.
none
The coordinates for water molecules which could be translated back into
the asymmetric unit are listed. If you do not indicate otherwise we will
replace the solvent coordinates in the entry with the ones below:
none
==> Close contacts in same asymmetric unit. Distances smaller than 2.2
Angstroms are considered as close contacts.
none
==> Close contacts based on crystal symmetry. Distances smaller than 2.2
Angstroms are considered as close contacts.
none
==> Bond and angle checks are performed by first computing the average rms
error for all bonds and angles relative to standard values for nucleotide
units [L. Clowney et al., Geometric Parameters in Nucleic Acids: Nitrogenous
Bases, J.Am.Chem.Soc. 1996, 118, 509-518; A. Gelbin et al., Geometric
Parameters in Nucleic Acids: Sugar and Phosphate Constituents, J.Am.Chem.Soc.
1996, 118, 519-529] and amino acid units [R.A. Engh and R. Huber, Accurate
Bond and Angle Parameters for X-ray protein structure refinement, Acta
Crystallogr. 1991, A47, 392-400]. Any bond or angle which deviates from the
dictionary values by more than six times this computed rms error is
identified as an outlier.
*** Covalent Bond Lengths:
The RMS deviation for covalent bonds relative to the standard
dictionary is 0.007 Angstroms
The following table contains a list of the covalent bonds
greater than 6.0*RMSD.
Deviation Residue Chain Sequence AT1 - AT2 Bond Dictionary
Name ID Number Distance Value
------------------------------------------------------------------------
-0.046 PRO H 21 CB - CG 1.446 1.492
*** Covalent Angle Values:
The RMS deviation for covalent angles relative to the standard
dictionary is 1.2 degrees.
The following table contains a list of the covalent bond angles
greater than 6.0*RMSD.
Deviation Residue Chain Sequence AT1 - AT2 - AT3 Bond Dictionary
Name ID Number Angle Value
--------------------------------------------------------------------------------
-9.1 ILE B 50 N - CA - C 102.1 111.2
-8.1 ILE C 50 N - CA - C 103.1 111.2
-7.4 ASP D 18 N - CA - C 103.8 111.2
-7.6 VAL E 30 N - CA - C 103.6 111.2
-7.5 ILE F 50 N - CA - C 103.7 111.2
-9.1 ASP G 4 N - CA - C 102.1 111.2
9.6 LEU G 29 CA - CB - CG 125.9 116.3
7.6 LEU H 16 CA - CB - CG 123.9 116.3
-7.4 VAL H 30 N - CA - C 103.8 111.2
TORSION ANGLES
The torsion angle distributions have been checked. The postscript file of the
conformation rings showing the torsion angle distributions will be sent in a
separate E-mail message.
CHIRALITY
The chirality has been checked and there are no incorrect carbon chiral centers.
Some of O1P and O2P atoms do not follow the convention defined in the standard
IUBMB nomenclature (Liebecq, C. Compendium of Biochemical Nomenclature and Related
Documents, 2nd ed.; Portland Press: London and Chapel Hill, 1992). If you do not
indicate otherwise, we will switch the labels of O1P and O2P as shown below.
OTHER IMPORTANT ISSUES
==> Please check carefully REMARKS 3 and 200 and fill in the parameters as
appropriate.
SEQUENCE WARNING: Residue (E ASP 34 ) and Residue (E ALA 39 ) are not linked
Distance of C-N bond is 7.60
SEQUENCE WARNING: Residue (H GLY 37 ) and Residue (H ALA 39 ) are not linked
Distance of C-N bond is 15.51
==> The following residues have missing atoms:
RES MOD#C SEQ ATOMS
MET( A 7) SD
MET( A 14) SD
MET( A 40) SD
MET( B 7) SD
MET( B 14) SD
MET( B 40) SD
MET( C 7) SD
MET( C 14) SD
MET( C 40) SD
MET( D 7) SD
MET( D 14) SD
MET( D 40) SD
MET( E 7) SD
MET( E 14) SD
MET( E 40) SD
MET( F 7) SD
MET( F 14) SD
MET( F 40) SD
MET( G 7) SD
MET( G 14) SD
MET( G 40) SD
MET( H 7) SD
MET( H 14) SD
MET( H 40) SD
==> The following residues have extra atoms:
RES MOD#C SEQ ATOMS
MET( A 7) SE
MET( A 14) SE
MET( A 40) SE
MET( B 7) SE
MET( B 14) SE
MET( B 40) SE
MET( C 7) SE
MET( C 14) SE
MET( C 40) SE
MET( D 7) SE
MET( D 14) SE
MET( D 40) SE
MET( E 7) SE
MET( E 14) SE
MET( E 40) SE
MET( F 7) SE
MET( F 14) SE
MET( F 40) SE
MET( G 7) SE
MET( G 14) SE
MET( G 40) SE
MET( H 7) SE
MET( H 14) SE
MET( H 40) SE
ER382A_XRay_em_bcr3.pdb: Error: Z value is 8. It should be 3.
ER382A_XRay_em_bcr3.pdb: Error: Record (RES: MSE CHNID: A SSEQ: 7) in Token 'MODRES' can not be found in coordinates
ER382A_XRay_em_bcr3.pdb: Error: Record (RES: MSE CHNID: A SSEQ: 14) in Token 'MODRES' can not be found in coordinates
ER382A_XRay_em_bcr3.pdb: Error: Record (RES: MSE CHNID: A SSEQ: 40) in Token 'MODRES' can not be found in coordinates
ER382A_XRay_em_bcr3.pdb: Error: Record (RES: MSE CHNID: B SSEQ: 7) in Token 'MODRES' can not be found in coordinates
ER382A_XRay_em_bcr3.pdb: Error: Record (RES: MSE CHNID: B SSEQ: 14) in Token 'MODRES' can not be found in coordinates
ER382A_XRay_em_bcr3.pdb: Error: Record (RES: MSE CHNID: B SSEQ: 40) in Token 'MODRES' can not be found in coordinates
ER382A_XRay_em_bcr3.pdb: Error: Record (RES: MSE CHNID: C SSEQ: 7) in Token 'MODRES' can not be found in coordinates
ER382A_XRay_em_bcr3.pdb: Error: Record (RES: MSE CHNID: C SSEQ: 14) in Token 'MODRES' can not be found in coordinates
ER382A_XRay_em_bcr3.pdb: Error: Record (RES: MSE CHNID: C SSEQ: 40) in Token 'MODRES' can not be found in coordinates
ER382A_XRay_em_bcr3.pdb: Error: Record (RES: MSE CHNID: D SSEQ: 7) in Token 'MODRES' can not be found in coordinates
ER382A_XRay_em_bcr3.pdb: Error: Record (RES: MSE CHNID: D SSEQ: 14) in Token 'MODRES' can not be found in coordinates
ER382A_XRay_em_bcr3.pdb: Error: Record (RES: MSE CHNID: D SSEQ: 40) in Token 'MODRES' can not be found in coordinates
ER382A_XRay_em_bcr3.pdb: Error: Record (RES: MSE CHNID: E SSEQ: 7) in Token 'MODRES' can not be found in coordinates
ER382A_XRay_em_bcr3.pdb: Error: Record (RES: MSE CHNID: E SSEQ: 14) in Token 'MODRES' can not be found in coordinates
ER382A_XRay_em_bcr3.pdb: Error: Record (RES: MSE CHNID: E SSEQ: 40) in Token 'MODRES' can not be found in coordinates
ER382A_XRay_em_bcr3.pdb: Error: Record (RES: MSE CHNID: F SSEQ: 7) in Token 'MODRES' can not be found in coordinates
ER382A_XRay_em_bcr3.pdb: Error: Record (RES: MSE CHNID: F SSEQ: 14) in Token 'MODRES' can not be found in coordinates
ER382A_XRay_em_bcr3.pdb: Error: Record (RES: MSE CHNID: F SSEQ: 40) in Token 'MODRES' can not be found in coordinates
ER382A_XRay_em_bcr3.pdb: Error: Record (RES: MSE CHNID: G SSEQ: 7) in Token 'MODRES' can not be found in coordinates
ER382A_XRay_em_bcr3.pdb: Error: Record (RES: MSE CHNID: G SSEQ: 14) in Token 'MODRES' can not be found in coordinates
ER382A_XRay_em_bcr3.pdb: Error: Record (RES: MSE CHNID: G SSEQ: 40) in Token 'MODRES' can not be found in coordinates
ER382A_XRay_em_bcr3.pdb: Error: Record (RES: MSE CHNID: H SSEQ: 7) in Token 'MODRES' can not be found in coordinates
ER382A_XRay_em_bcr3.pdb: Error: Record (RES: MSE CHNID: H SSEQ: 14) in Token 'MODRES' can not be found in coordinates
ER382A_XRay_em_bcr3.pdb: Error: Record (RES: MSE CHNID: H SSEQ: 40) in Token 'MODRES' can not be found in coordinates
ER382A_XRay_em_bcr3.pdb: Error: Record (RES: MSE CHNID: A SSEQ: 14) in Token 'SHEET' can not be found in coordinates
ER382A_XRay_em_bcr3.pdb: Error: Record (ATOM: N RES: MSE CHNID: A SSEQ: 7) in Token 'SHEET' can not be found in coordinates
ER382A_XRay_em_bcr3.pdb: Error: Record (ATOM: O RES: MSE CHNID: A SSEQ: 40) in Token 'SHEET' can not be found in coordinates
ER382A_XRay_em_bcr3.pdb: Error: Record (RES: MSE CHNID: B SSEQ: 14) in Token 'SHEET' can not be found in coordinates
ER382A_XRay_em_bcr3.pdb: Error: Record (ATOM: N RES: MSE CHNID: B SSEQ: 7) in Token 'SHEET' can not be found in coordinates
ER382A_XRay_em_bcr3.pdb: Error: Record (ATOM: O RES: MSE CHNID: B SSEQ: 40) in Token 'SHEET' can not be found in coordinates
ER382A_XRay_em_bcr3.pdb: Error: Record (ATOM: N RES: MSE CHNID: C SSEQ: 7) in Token 'SHEET' can not be found in coordinates
ER382A_XRay_em_bcr3.pdb: Error: Record (RES: MSE CHNID: D SSEQ: 14) in Token 'SHEET' can not be found in coordinates
ER382A_XRay_em_bcr3.pdb: Error: Record (ATOM: N RES: MSE CHNID: D SSEQ: 7) in Token 'SHEET' can not be found in coordinates
ER382A_XRay_em_bcr3.pdb: Error: Record (RES: MSE CHNID: E SSEQ: 14) in Token 'SHEET' can not be found in coordinates
ER382A_XRay_em_bcr3.pdb: Error: Record (ATOM: N RES: MSE CHNID: E SSEQ: 7) in Token 'SHEET' can not be found in coordinates
ER382A_XRay_em_bcr3.pdb: Error: Record (RES: MSE CHNID: E SSEQ: 40) in Token 'SHEET' can not be found in coordinates
ER382A_XRay_em_bcr3.pdb: Error: Record (ATOM: O RES: MSE CHNID: E SSEQ: 40) in Token 'SHEET' can not be found in coordinates
ER382A_XRay_em_bcr3.pdb: Error: Record (RES: MSE CHNID: F SSEQ: 14) in Token 'SHEET' can not be found in coordinates
ER382A_XRay_em_bcr3.pdb: Error: Record (ATOM: N RES: MSE CHNID: F SSEQ: 7) in Token 'SHEET' can not be found in coordinates
ER382A_XRay_em_bcr3.pdb: Error: Record (ATOM: O RES: MSE CHNID: F SSEQ: 40) in Token 'SHEET' can not be found in coordinates
ER382A_XRay_em_bcr3.pdb: Error: Record (RES: MSE CHNID: G SSEQ: 14) in Token 'SHEET' can not be found in coordinates
ER382A_XRay_em_bcr3.pdb: Error: Record (ATOM: N RES: MSE CHNID: G SSEQ: 7) in Token 'SHEET' can not be found in coordinates
ER382A_XRay_em_bcr3.pdb: Error: Record (ATOM: O RES: MSE CHNID: G SSEQ: 40) in Token 'SHEET' can not be found in coordinates
ER382A_XRay_em_bcr3.pdb: Error: Record (ATOM: N RES: MSE CHNID: H SSEQ: 7) in Token 'SHEET' can not be found in coordinates
ER382A_XRay_em_bcr3.pdb: Error: Record (RES: MSE CHNID: H SSEQ: 40) in Token 'SHEET' can not be found in coordinates
ER382A_XRay_em_bcr3.pdb: Error: Record (ATOM: O RES: MSE CHNID: H SSEQ: 40) in Token 'SHEET' can not be found in coordinates