Detailed results of PSR293_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 >>>----------+
| |
| PSR293_XRay_em_bcr3_noHs_000.rin 0.0 468 residues |
| |
+| Ramachandran plot: 87.1% core 12.9% allow 0.0% gener 0.0% disall |
| |
*| All Ramachandrans: 14 labelled residues (out of 460) |
*| Chi1-chi2 plots: 16 labelled residues (out of 324) |
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
2 -1.07
3 0.30
4 0.27
5 0.75
6 -0.08
7 -0.91
8 0.64
9 1.09
10 0.99
11 1.23
12 -1.63
13 0.06
14 -2.78
15 -0.18
16 0.23
17 -0.35
18 0.40
19 -0.81
20 -1.38
21 0.07
22 -0.39
23 0.82
24 0.95
25 -1.11
26 0.35
27 0.27
28 -0.25
29 -0.72
30 -0.55
31 -0.50
32 -1.38
33 -0.55
34 0.30
35 -3.34
36 0.34
37 -1.12
38 -0.34
39 0.02
40 -1.62
41 -2.00
42 -1.09
43 -0.04
44 -0.32
45 -0.18
46 -0.78
47 -0.59
48 -1.02
49 0.72
50 -0.72
51 -3.37
52 -0.73
53 -0.50
54 -2.36
55 -3.49
56 -0.62
57 -0.28
58 -0.82
59 -0.33
60 -0.19
61 -0.06
62 -0.14
63 -0.37
64 -0.51
65 -0.33
66 -1.14
67 -0.23
68 -1.49
69 -0.59
70 -1.10
71 0.77
72 1.02
73 0.88
74 0.24
75 -0.49
76 -0.01
77 -0.93
78 -1.43
79 0.45
80 0.49
81 -1.20
82 0.62
83 -1.09
84 0.07
85 -2.52
86 -1.17
87 -0.55
88 0.49
89 -0.30
90 -1.62
91 -0.60
92 -0.27
93 -0.28
94 0.31
95 -0.39
96 -0.44
97 0.44
98 -1.04
99 0.07
100 -0.15
101 -0.44
102 0.82
103 0.37
104 0.61
105 0.69
106 1.15
107 1.19
108 1.13
109 0.71
110 0.55
111 1.01
112 1.09
113 0.66
114 0.97
115 -0.22
116 -0.75
129 -1.07
130 0.30
131 0.27
132 0.75
133 -0.08
134 -0.91
135 0.64
136 1.09
137 0.99
138 1.23
139 -1.63
140 0.06
141 -2.78
142 -0.18
143 0.45
144 -0.35
145 0.40
146 -0.81
147 -1.38
148 0.07
149 -0.39
150 0.82
151 0.95
152 -1.11
153 0.35
154 0.27
155 -0.25
156 -0.72
157 -0.55
158 -0.50
159 -1.38
160 -0.55
161 0.30
162 -3.34
163 0.34
164 -1.12
165 -0.34
166 0.02
167 -1.62
168 -2.00
169 -1.09
170 -0.04
171 -0.32
172 -0.18
173 -0.45
174 -0.08
175 -1.02
176 0.72
177 -0.72
178 -4.23
179 -0.73
180 -0.50
181 -3.43
182 -3.49
183 -1.02
184 -0.28
185 -0.82
186 -0.33
187 -0.19
188 -0.06
189 -0.14
190 -0.37
191 -0.51
192 -0.33
193 -1.14
194 -0.23
195 -1.49
196 -0.59
197 -1.10
198 0.77
199 1.02
200 0.88
201 0.29
202 -1.38
203 -0.10
204 -0.93
205 -1.43
206 0.25
207 0.49
208 -1.20
209 0.62
210 -1.09
211 0.07
212 -2.52
213 -1.55
214 -0.55
215 0.49
216 -0.30
217 -1.62
218 -0.60
219 -0.27
220 0.22
221 0.31
222 -0.39
223 -0.44
224 0.44
225 -1.04
226 0.07
227 -0.15
228 -0.44
229 0.82
230 0.37
231 0.86
232 0.69
233 1.15
234 1.19
235 1.13
236 1.01
237 0.87
238 1.01
239 1.09
240 0.66
241 0.97
242 -0.22
243 -0.75
256 -1.07
257 0.30
258 0.27
259 0.75
260 -0.08
261 -0.91
262 0.64
263 1.09
264 0.99
265 1.23
266 -1.63
267 0.06
268 -2.78
269 -0.18
270 0.23
271 -0.35
272 0.40
273 -0.81
274 -1.38
275 0.07
276 -0.39
277 0.82
278 0.95
279 -1.11
280 0.35
281 0.27
282 -0.25
283 -0.72
284 -0.55
285 -0.50
286 -1.38
287 -0.55
288 0.30
289 -3.34
290 0.34
291 -0.91
292 -0.34
293 0.02
294 -1.62
295 -2.00
296 -1.09
297 -0.04
298 -0.32
299 -0.18
300 -0.78
301 -0.59
302 -1.02
303 0.72
304 -0.72
305 -3.37
306 -0.73
307 -0.50
308 -3.43
309 -3.49
310 -1.02
311 -0.28
312 -0.82
313 -0.33
314 -0.37
315 -0.06
316 -0.14
317 -0.37
318 -0.51
319 -0.33
320 -1.14
321 -0.23
322 0.02
323 -0.59
324 -1.10
325 0.77
326 1.02
327 0.88
328 0.99
329 -0.49
330 -0.01
331 -0.93
332 -1.43
333 0.25
334 0.49
335 -1.20
336 0.62
337 -0.70
338 0.07
339 -2.52
340 -1.55
341 -0.55
342 0.49
343 -0.30
344 -1.62
345 -0.60
346 -0.27
347 -0.28
348 0.31
349 -0.39
350 -0.44
351 0.44
352 -1.04
353 0.07
354 -0.15
355 -0.44
356 0.82
357 0.37
358 0.86
359 0.69
360 1.15
361 1.19
362 1.13
363 0.71
364 0.87
365 1.14
366 1.19
367 0.66
368 0.97
369 -0.22
370 -0.75
383 -1.07
384 0.30
385 0.27
386 0.75
387 -0.08
388 -0.91
389 0.64
390 1.09
391 0.99
392 1.23
393 -1.63
394 0.06
395 -2.78
396 -0.18
397 0.45
398 -0.35
399 0.40
400 -0.81
401 -1.38
402 0.07
403 -0.39
404 0.82
405 0.95
406 -1.11
407 0.35
408 0.27
409 -0.25
410 -0.72
411 -0.55
412 -0.50
413 -1.38
414 -0.55
415 0.30
416 -3.34
417 0.34
418 -1.12
419 -0.34
420 0.02
421 -1.62
422 -2.00
423 -1.09
424 -0.04
425 -0.32
426 -0.18
427 -0.78
428 -0.59
429 -1.02
430 0.72
431 -0.72
432 -4.23
433 -0.73
434 -0.50
435 -2.36
436 -3.49
437 -1.02
438 -0.28
439 -0.82
440 -0.33
441 -0.19
442 -0.06
443 0.20
444 -0.37
445 -0.51
446 -0.33
447 -1.14
448 -0.23
449 0.02
450 -0.59
451 -1.10
452 0.77
453 1.02
454 0.88
455 0.29
456 -1.38
457 -0.10
458 -0.93
459 -1.43
460 0.25
461 0.49
462 -1.20
463 0.62
464 -1.09
465 0.07
466 -2.52
467 -1.17
468 -0.55
469 0.49
470 -0.30
471 -1.62
472 -0.52
473 -0.27
474 0.22
475 0.31
476 -0.39
477 -0.44
478 0.44
479 -1.04
480 0.07
481 -0.15
482 -0.44
483 0.14
484 0.37
485 0.86
486 0.69
487 1.15
488 1.19
489 1.13
490 0.71
491 0.87
492 1.01
493 1.19
494 1.22
495 0.97
496 -0.22
497 -0.75
#Reported_Model_Average -0.309
#Overall_Average_Reported -0.309
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
1 0.19
2 -0.98
3 0.51
4 -0.98
5 0.63
6 0.25
7 -1.46
8 0.88
9 0.12
10 0.99
11 0.60
12 -0.81
13 -0.76
14 -0.97
15 -0.89
16 0.50
17 -1.63
18 0.40
19 -1.45
20 -0.14
21 0.07
22 -0.61
23 0.00
24 0.59
25 -0.28
26 0.35
27 0.59
28 -1.74
29 -0.72
30 -0.81
31 -0.68
32 -2.12
33 0.18
34 0.14
35 -1.69
36 -0.17
37 -0.49
38 0.26
39 -0.24
40 -0.95
41 -2.00
42 -1.13
43 0.18
44 0.42
45 -0.54
46 -0.34
47 -0.59
48 -1.02
49 -0.21
50 -0.54
51 -1.65
52 -0.73
53 -1.77
54 -1.85
55 -3.49
56 -0.16
57 -0.41
58 -0.88
59 -0.29
60 -0.74
61 -0.57
62 -0.20
63 -1.19
64 -0.57
65 0.26
66 -0.85
67 -1.10
68 -1.49
69 -1.07
70 -0.10
71 0.75
72 1.02
73 0.97
74 -0.63
75 0.12
76 -0.35
77 0.02
78 -1.43
79 0.45
80 0.68
81 -1.17
82 0.62
83 -1.09
84 0.41
85 -2.81
86 -0.18
87 -0.54
88 0.01
89 0.31
90 -0.16
91 -0.01
92 -0.95
93 -0.29
94 0.40
95 -1.67
96 0.04
97 0.04
98 -1.04
99 0.07
100 -1.76
101 -0.44
102 0.82
103 0.37
104 0.12
105 0.80
106 0.58
107 0.78
108 1.02
109 0.05
110 0.06
111 -0.41
112 0.19
113 0.49
114 0.56
115 -1.59
116 -0.81
117 -2.86
128 0.19
129 -0.98
130 0.51
131 -0.98
132 0.63
133 0.25
134 -1.46
135 0.88
136 0.12
137 0.99
138 0.60
139 -0.81
140 -0.76
141 -1.12
142 -0.89
143 0.47
144 -1.63
145 0.40
146 -1.45
147 -0.14
148 0.07
149 -0.61
150 0.00
151 0.59
152 -0.28
153 0.35
154 0.59
155 -2.22
156 -0.72
157 -0.40
158 -0.68
159 -2.12
160 0.18
161 -0.21
162 -1.69
163 -0.25
164 -0.49
165 0.26
166 -0.24
167 -0.95
168 -2.00
169 -1.13
170 0.26
171 0.65
172 -0.54
173 -0.19
174 -0.08
175 -1.02
176 -0.21
177 -0.54
178 -2.07
179 -0.73
180 -1.77
181 -2.39
182 -3.49
183 -0.36
184 -0.41
185 -0.88
186 -0.18
187 -0.74
188 -0.57
189 -0.20
190 -0.91
191 -0.57
192 0.26
193 -0.85
194 -1.10
195 -1.49
196 -1.07
197 -0.10
198 0.68
199 1.02
200 0.42
201 -0.60
202 -0.32
203 -0.39
204 0.02
205 -1.43
206 0.25
207 0.66
208 -1.17
209 0.62
210 -1.09
211 0.43
212 -2.81
213 -0.37
214 -0.44
215 0.01
216 0.31
217 -0.16
218 -0.01
219 -0.95
220 0.25
221 0.49
222 -1.67
223 0.04
224 0.04
225 -1.04
226 0.07
227 -1.76
228 -0.44
229 0.82
230 0.37
231 0.24
232 0.80
233 0.58
234 1.20
235 1.02
236 0.20
237 0.32
238 -0.41
239 0.53
240 0.49
241 0.56
242 -1.59
243 -0.81
244 -2.86
255 0.19
256 -0.98
257 0.51
258 -0.98
259 0.63
260 0.25
261 -1.46
262 0.88
263 0.40
264 0.99
265 0.60
266 -0.81
267 -0.76
268 -1.12
269 -0.89
270 0.14
271 -1.63
272 0.40
273 -1.45
274 -0.14
275 0.07
276 -0.61
277 0.00
278 0.59
279 -0.28
280 0.35
281 0.59
282 -2.22
283 -0.72
284 -0.81
285 -0.68
286 -2.12
287 0.18
288 0.34
289 -1.69
290 -0.25
291 -0.39
292 0.26
293 -0.24
294 -0.95
295 -2.00
296 -1.13
297 0.26
298 0.65
299 -0.54
300 -0.35
301 -0.59
302 -1.02
303 -0.21
304 -0.54
305 -1.69
306 -0.73
307 -1.77
308 -2.39
309 -3.49
310 -0.36
311 -0.41
312 -0.88
313 -0.70
314 -0.83
315 -0.31
316 -0.20
317 -1.19
318 -0.57
319 0.26
320 -1.11
321 -1.10
322 0.02
323 -1.07
324 -0.10
325 0.75
326 1.02
327 0.42
328 -0.25
329 0.12
330 -0.35
331 0.02
332 -1.43
333 0.25
334 0.68
335 -1.17
336 0.62
337 -0.70
338 0.43
339 -2.81
340 -0.19
341 -0.54
342 0.01
343 0.31
344 -0.16
345 -0.01
346 -0.95
347 -0.58
348 0.49
349 -1.67
350 0.04
351 0.04
352 -1.04
353 0.07
354 -1.76
355 -0.44
356 0.82
357 0.37
358 0.24
359 0.80
360 0.58
361 0.58
362 1.02
363 0.05
364 0.23
365 -0.35
366 0.24
367 0.49
368 0.56
369 -1.59
370 -0.52
371 -2.86
382 0.19
383 -0.98
384 0.51
385 -0.98
386 0.63
387 0.25
388 -1.46
389 0.88
390 0.12
391 0.99
392 0.60
393 -0.81
394 -0.76
395 -1.12
396 -0.89
397 0.67
398 -1.63
399 0.40
400 -1.45
401 -0.14
402 0.07
403 -0.61
404 0.00
405 0.59
406 -0.28
407 0.35
408 0.59
409 -2.22
410 -0.72
411 -0.81
412 -0.68
413 -2.12
414 0.18
415 -0.21
416 -1.69
417 -0.25
418 -0.49
419 0.26
420 -0.24
421 -0.95
422 -2.00
423 -1.13
424 0.26
425 0.42
426 -0.54
427 -0.35
428 -0.59
429 -1.02
430 -0.21
431 -0.54
432 -2.08
433 -0.73
434 -1.77
435 -1.85
436 -3.49
437 -0.36
438 -0.41
439 -0.88
440 -0.29
441 -0.74
442 -0.57
443 -0.03
444 -1.19
445 -0.57
446 0.26
447 -1.11
448 -1.10
449 0.02
450 -1.07
451 -0.10
452 0.75
453 1.02
454 0.62
455 -0.60
456 -0.32
457 -0.39
458 0.02
459 -1.43
460 0.25
461 0.68
462 -1.17
463 0.62
464 -1.09
465 0.41
466 -2.81
467 0.00
468 -0.54
469 0.01
470 0.31
471 -0.16
472 0.03
473 -0.95
474 -0.04
475 0.49
476 -1.67
477 0.04
478 0.04
479 -1.04
480 0.07
481 -1.76
482 -0.44
483 0.14
484 0.37
485 0.24
486 0.80
487 0.58
488 0.78
489 0.87
490 0.05
491 0.23
492 -0.41
493 0.24
494 0.77
495 0.56
496 -1.59
497 -0.81
498 -2.86
#Reported_Model_Average -0.397
#Overall_Average_Reported -0.397
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
1 0.91
2 0.51
3 0.71
4 0.25
5 0.25
6 1.40
7 -0.28
8 0.51
9 1.14
10 0.49
11 0.25
12 -0.10
13 0.47
14 1.25
15 0.23
16 0.08
17 0.47
18 0.64
19 0.51
20 0.20
21 0.64
22 1.62
23 0.04
24 0.47
25 0.71
26 0.25
27 0.51
28 0.52
29 0.49
30 1.00
31 1.40
32 0.71
33 1.04
34 0.34
35 0.51
36 0.51
37 0.51
38 0.47
39 1.62
40 1.14
41 0.49
42 1.06
43 1.06
44 0.91
45 0.51
46 0.93
47 0.44
48 0.49
49 0.28
50 0.47
51 0.93
52 1.10
53 -0.94
54 0.41
55 1.10
56 0.23
57 0.47
58 0.24
59 1.00
60 0.51
61 1.00
62 0.93
63 -1.97
64 1.06
65 0.08
66 1.00
67 -0.57
68 0.64
69 -0.59
70 -0.68
71 -0.40
72 1.10
73 0.17
74 1.06
75 0.71
76 0.47
77 0.47
78 0.44
79 1.10
80 0.93
81 1.25
82 0.44
83 0.49
84 1.14
85 0.20
86 1.00
87 0.41
88 0.47
89 0.28
90 1.04
91 1.62
92 0.93
93 0.55
94 1.00
95 0.77
96 1.06
97 0.51
98 1.10
99 0.64
100 0.77
101 1.10
102 0.49
103 -0.10
104 0.28
105 0.93
106 0.54
107 0.34
108 1.06
109 0.93
110 0.28
111 0.51
112 0.59
113 0.71
114 0.25
115 -0.68
116 0.55
117 0.24
128 0.91
129 0.51
130 0.71
131 -0.03
132 0.25
133 1.40
134 -0.28
135 0.51
136 1.14
137 0.49
138 0.25
139 0.47
140 0.47
141 1.25
142 0.23
143 0.08
144 0.47
145 0.64
146 0.51
147 0.20
148 0.64
149 1.12
150 0.04
151 0.47
152 0.71
153 0.25
154 0.51
155 0.52
156 0.49
157 1.00
158 1.40
159 0.71
160 1.04
161 0.34
162 0.51
163 -0.26
164 0.51
165 0.47
166 1.62
167 1.14
168 0.49
169 1.06
170 1.06
171 1.00
172 0.51
173 0.93
174 0.44
175 0.49
176 0.28
177 0.47
178 0.93
179 1.10
180 -0.94
181 0.41
182 1.10
183 0.23
184 0.47
185 0.24
186 0.66
187 0.34
188 1.00
189 0.93
190 -1.97
191 1.06
192 0.08
193 1.00
194 -0.57
195 -0.07
196 -1.13
197 -0.68
198 -0.40
199 1.10
200 0.17
201 1.06
202 0.71
203 0.47
204 0.47
205 0.44
206 1.10
207 0.93
208 1.25
209 0.44
210 0.49
211 1.14
212 0.20
213 0.91
214 0.51
215 0.47
216 0.28
217 1.04
218 1.62
219 0.93
220 0.55
221 1.00
222 0.77
223 1.06
224 0.51
225 1.10
226 0.64
227 1.06
228 1.10
229 0.14
230 -0.10
231 0.28
232 0.93
233 0.54
234 0.34
235 1.06
236 0.93
237 0.28
238 0.51
239 0.59
240 0.71
241 0.25
242 -0.68
243 0.55
244 0.24
255 0.91
256 0.51
257 0.71
258 -0.03
259 0.25
260 1.40
261 -0.28
262 0.51
263 1.14
264 0.49
265 0.25
266 -0.10
267 0.47
268 1.25
269 0.23
270 0.08
271 0.47
272 0.64
273 0.51
274 0.20
275 -0.07
276 0.96
277 0.28
278 0.47
279 -1.29
280 0.25
281 0.51
282 0.52
283 0.49
284 1.00
285 1.40
286 0.71
287 1.04
288 0.34
289 0.51
290 0.51
291 0.51
292 0.47
293 0.96
294 1.14
295 0.49
296 1.06
297 1.06
298 0.91
299 0.51
300 0.93
301 0.44
302 0.49
303 0.28
304 0.47
305 0.93
306 1.10
307 -0.94
308 0.41
309 1.10
310 0.23
311 0.47
312 0.24
313 1.00
314 0.34
315 1.00
316 0.93
317 -1.97
318 1.06
319 0.08
320 1.00
321 -0.57
322 0.44
323 0.28
324 -0.68
325 -0.40
326 1.10
327 0.17
328 1.06
329 0.71
330 -0.10
331 0.47
332 0.25
333 1.10
334 0.93
335 1.25
336 0.44
337 0.49
338 1.14
339 0.20
340 0.91
341 0.51
342 0.47
343 0.04
344 0.20
345 1.62
346 0.93
347 0.55
348 1.00
349 0.77
350 1.06
351 0.51
352 1.10
353 0.44
354 0.77
355 1.10
356 0.49
357 -0.10
358 0.28
359 0.93
360 0.54
361 0.34
362 1.06
363 0.93
364 0.28
365 0.51
366 0.59
367 0.71
368 0.25
369 -0.68
370 0.55
371 0.24
382 0.91
383 0.51
384 0.71
385 -0.03
386 0.25
387 1.40
388 -0.28
389 0.51
390 1.14
391 0.49
392 0.25
393 -0.10
394 0.47
395 1.25
396 0.23
397 0.08
398 0.47
399 0.64
400 0.51
401 0.20
402 -0.07
403 1.62
404 0.04
405 0.47
406 0.71
407 0.25
408 0.51
409 0.52
410 0.49
411 1.00
412 1.40
413 0.71
414 1.04
415 0.34
416 0.51
417 -0.26
418 0.51
419 0.47
420 1.62
421 1.14
422 0.49
423 1.06
424 1.06
425 1.00
426 0.51
427 0.93
428 0.44
429 0.49
430 0.28
431 0.47
432 0.93
433 1.10
434 -0.94
435 0.41
436 1.10
437 0.23
438 0.47
439 0.24
440 0.66
441 0.34
442 1.00
443 0.93
444 -1.97
445 1.06
446 0.08
447 1.00
448 -0.57
449 0.44
450 0.28
451 -0.68
452 -0.40
453 1.10
454 0.17
455 1.06
456 0.71
457 -0.10
458 0.47
459 0.25
460 1.10
461 0.93
462 1.25
463 0.44
464 0.49
465 1.14
466 0.20
467 0.91
468 0.51
469 0.47
470 0.04
471 0.20
472 1.62
473 0.93
474 0.55
475 1.00
476 0.77
477 1.06
478 0.51
479 1.10
480 0.64
481 1.06
482 1.10
483 0.14
484 -0.10
485 0.28
486 0.93
487 0.54
488 0.34
489 1.06
490 0.93
491 0.28
492 0.51
493 0.59
494 0.71
495 0.25
496 -0.68
497 0.55
498 0.24
#Reported_Model_Average 0.545
#Overall_Average_Reported 0.545
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
1 0.91
2 0.51
3 0.71
4 0.25
5 0.25
6 1.40
7 -0.28
8 0.51
9 1.14
10 0.49
11 0.25
12 -0.10
13 0.47
14 1.25
15 0.23
16 0.08
17 0.47
18 0.64
19 0.51
20 0.20
21 0.64
22 1.62
23 0.04
24 0.47
25 0.71
26 0.25
27 0.51
28 0.52
29 0.49
30 1.00
31 1.40
32 0.71
33 1.04
34 0.34
35 0.51
36 0.51
37 0.51
38 0.47
39 1.62
40 1.14
41 0.49
42 1.06
43 1.06
44 0.91
45 0.51
46 0.93
47 0.44
48 0.49
49 0.28
50 0.47
51 0.93
52 1.10
53 -0.94
54 0.41
55 1.10
56 0.23
57 0.47
58 0.24
59 1.00
60 0.51
61 1.00
62 0.93
63 -1.97
64 1.06
65 0.08
66 1.00
67 -0.57
68 0.64
69 -0.59
70 -0.68
71 -0.40
72 1.10
73 0.17
74 1.06
75 0.71
76 0.47
77 0.47
78 0.44
79 1.10
80 0.93
81 1.25
82 0.44
83 0.49
84 1.14
85 0.20
86 1.00
87 0.41
88 0.47
89 0.28
90 1.04
91 1.62
92 0.93
93 0.55
94 1.00
95 0.77
96 1.06
97 0.51
98 1.10
99 0.64
100 0.77
101 1.10
102 0.49
103 -0.10
104 0.28
105 0.93
106 0.54
107 0.34
108 1.06
109 0.93
110 0.28
111 0.51
112 0.59
113 0.71
114 0.25
115 -0.68
116 0.55
117 0.24
128 0.91
129 0.51
130 0.71
131 -0.03
132 0.25
133 1.40
134 -0.28
135 0.51
136 1.14
137 0.49
138 0.25
139 0.47
140 0.47
141 1.25
142 0.23
143 0.08
144 0.47
145 0.64
146 0.51
147 0.20
148 0.64
149 1.12
150 0.04
151 0.47
152 0.71
153 0.25
154 0.51
155 0.52
156 0.49
157 1.00
158 1.40
159 0.71
160 1.04
161 0.34
162 0.51
163 -0.26
164 0.51
165 0.47
166 1.62
167 1.14
168 0.49
169 1.06
170 1.06
171 1.00
172 0.51
173 0.93
174 0.44
175 0.49
176 0.28
177 0.47
178 0.93
179 1.10
180 -0.94
181 0.41
182 1.10
183 0.23
184 0.47
185 0.24
186 0.66
187 0.34
188 1.00
189 0.93
190 -1.97
191 1.06
192 0.08
193 1.00
194 -0.57
195 -0.07
196 -1.13
197 -0.68
198 -0.40
199 1.10
200 0.17
201 1.06
202 0.71
203 0.47
204 0.47
205 0.44
206 1.10
207 0.93
208 1.25
209 0.44
210 0.49
211 1.14
212 0.20
213 0.91
214 0.51
215 0.47
216 0.28
217 1.04
218 1.62
219 0.93
220 0.55
221 1.00
222 0.77
223 1.06
224 0.51
225 1.10
226 0.64
227 1.06
228 1.10
229 0.14
230 -0.10
231 0.28
232 0.93
233 0.54
234 0.34
235 1.06
236 0.93
237 0.28
238 0.51
239 0.59
240 0.71
241 0.25
242 -0.68
243 0.55
244 0.24
255 0.91
256 0.51
257 0.71
258 -0.03
259 0.25
260 1.40
261 -0.28
262 0.51
263 1.14
264 0.49
265 0.25
266 -0.10
267 0.47
268 1.25
269 0.23
270 0.08
271 0.47
272 0.64
273 0.51
274 0.20
275 -0.07
276 0.96
277 0.28
278 0.47
279 -1.29
280 0.25
281 0.51
282 0.52
283 0.49
284 1.00
285 1.40
286 0.71
287 1.04
288 0.34
289 0.51
290 0.51
291 0.51
292 0.47
293 0.96
294 1.14
295 0.49
296 1.06
297 1.06
298 0.91
299 0.51
300 0.93
301 0.44
302 0.49
303 0.28
304 0.47
305 0.93
306 1.10
307 -0.94
308 0.41
309 1.10
310 0.23
311 0.47
312 0.24
313 1.00
314 0.34
315 1.00
316 0.93
317 -1.97
318 1.06
319 0.08
320 1.00
321 -0.57
322 0.44
323 0.28
324 -0.68
325 -0.40
326 1.10
327 0.17
328 1.06
329 0.71
330 -0.10
331 0.47
332 0.25
333 1.10
334 0.93
335 1.25
336 0.44
337 0.49
338 1.14
339 0.20
340 0.91
341 0.51
342 0.47
343 0.04
344 0.20
345 1.62
346 0.93
347 0.55
348 1.00
349 0.77
350 1.06
351 0.51
352 1.10
353 0.44
354 0.77
355 1.10
356 0.49
357 -0.10
358 0.28
359 0.93
360 0.54
361 0.34
362 1.06
363 0.93
364 0.28
365 0.51
366 0.59
367 0.71
368 0.25
369 -0.68
370 0.55
371 0.24
382 0.91
383 0.51
384 0.71
385 -0.03
386 0.25
387 1.40
388 -0.28
389 0.51
390 1.14
391 0.49
392 0.25
393 -0.10
394 0.47
395 1.25
396 0.23
397 0.08
398 0.47
399 0.64
400 0.51
401 0.20
402 -0.07
403 1.62
404 0.04
405 0.47
406 0.71
407 0.25
408 0.51
409 0.52
410 0.49
411 1.00
412 1.40
413 0.71
414 1.04
415 0.34
416 0.51
417 -0.26
418 0.51
419 0.47
420 1.62
421 1.14
422 0.49
423 1.06
424 1.06
425 1.00
426 0.51
427 0.93
428 0.44
429 0.49
430 0.28
431 0.47
432 0.93
433 1.10
434 -0.94
435 0.41
436 1.10
437 0.23
438 0.47
439 0.24
440 0.66
441 0.34
442 1.00
443 0.93
444 -1.97
445 1.06
446 0.08
447 1.00
448 -0.57
449 0.44
450 0.28
451 -0.68
452 -0.40
453 1.10
454 0.17
455 1.06
456 0.71
457 -0.10
458 0.47
459 0.25
460 1.10
461 0.93
462 1.25
463 0.44
464 0.49
465 1.14
466 0.20
467 0.91
468 0.51
469 0.47
470 0.04
471 0.20
472 1.62
473 0.93
474 0.55
475 1.00
476 0.77
477 1.06
478 0.51
479 1.10
480 0.64
481 1.06
482 1.10
483 0.14
484 -0.10
485 0.28
486 0.93
487 0.54
488 0.34
489 1.06
490 0.93
491 0.28
492 0.51
493 0.59
494 0.71
495 0.25
496 -0.68
497 0.55
498 0.24
#Reported_Model_Average 0.545
#Overall_Average_Reported 0.545
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
1.000 1
2.000 9
3.000 3
4.000 0
5.000 5
6.000 4
7.000 4
8.000 1
9.000 2
10.000 0
11.000 1
12.000 0
13.000 10
14.000 0
15.000 1
16.000 0
17.000 2
18.000 0
19.000 0
20.000 0
21.000 0
22.000 0
23.000 3
24.000 1
25.000 0
26.000 0
27.000 1
28.000 4
29.000 0
30.000 0
31.000 2
32.000 0
33.000 0
34.000 0
35.000 0
36.000 1
37.000 0
38.000 1
39.000 0
40.000 0
41.000 1
42.000 3
43.000 0
44.000 1
45.000 0
46.000 0
47.000 0
48.000 1
49.000 2
50.000 2
51.000 1
52.000 0
53.000 2
54.000 0
55.000 0
56.000 0
57.000 0
58.000 0
59.000 0
60.000 2
61.000 1
62.000 1
63.000 1
64.000 2
65.000 0
66.000 0
67.000 0
68.000 0
69.000 0
70.000 0
71.000 0
72.000 0
73.000 0
74.000 0
75.000 2
76.000 0
77.000 1
78.000 0
79.000 0
80.000 2
81.000 1
82.000 3
83.000 1
84.000 0
85.000 0
86.000 0
87.000 0
88.000 0
89.000 0
90.000 0
91.000 1
92.000 3
93.000 0
94.000 0
95.000 1
96.000 1
97.000 0
98.000 0
99.000 3
100.000 6
101.000 0
102.000 0
103.000 0
104.000 0
105.000 5
106.000 0
107.000 0
108.000 1
109.000 4
110.000 0
111.000 1
112.000 0
113.000 0
114.000 0
115.000 1
116.000 0
117.000 0
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 1
129.000 9
130.000 3
131.000 0
132.000 5
133.000 4
134.000 1
135.000 0
136.000 2
137.000 0
138.000 1
139.000 0
140.000 10
141.000 0
142.000 1
143.000 0
144.000 2
145.000 0
146.000 0
147.000 0
148.000 0
149.000 0
150.000 3
151.000 1
152.000 0
153.000 0
154.000 1
155.000 4
156.000 0
157.000 0
158.000 2
159.000 0
160.000 0
161.000 0
162.000 0
163.000 2
164.000 0
165.000 2
166.000 0
167.000 0
168.000 1
169.000 4
170.000 0
171.000 1
172.000 0
173.000 0
174.000 0
175.000 2
176.000 2
177.000 2
178.000 1
179.000 0
180.000 2
181.000 0
182.000 0
183.000 0
184.000 1
185.000 0
186.000 0
187.000 1
188.000 1
189.000 1
190.000 2
191.000 2
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 2
203.000 0
204.000 1
205.000 0
206.000 0
207.000 2
208.000 0
209.000 2
210.000 1
211.000 0
212.000 0
213.000 0
214.000 0
215.000 0
216.000 0
217.000 0
218.000 1
219.000 3
220.000 0
221.000 0
222.000 1
223.000 0
224.000 0
225.000 0
226.000 3
227.000 4
228.000 0
229.000 0
230.000 0
231.000 0
232.000 5
233.000 0
234.000 0
235.000 1
236.000 4
237.000 0
238.000 1
239.000 0
240.000 0
241.000 0
242.000 1
243.000 0
244.000 0
245.000 0
246.000 0
247.000 0
248.000 0
249.000 0
250.000 0
251.000 0
252.000 0
253.000 0
254.000 0
255.000 1
256.000 8
257.000 4
258.000 0
259.000 4
260.000 4
261.000 2
262.000 1
263.000 2
264.000 0
265.000 1
266.000 0
267.000 10
268.000 0
269.000 1
270.000 0
271.000 2
272.000 0
273.000 0
274.000 0
275.000 0
276.000 0
277.000 3
278.000 1
279.000 0
280.000 0
281.000 2
282.000 4
283.000 0
284.000 0
285.000 2
286.000 0
287.000 0
288.000 0
289.000 0
290.000 1
291.000 0
292.000 1
293.000 0
294.000 1
295.000 1
296.000 3
297.000 0
298.000 1
299.000 0
300.000 0
301.000 0
302.000 1
303.000 2
304.000 2
305.000 1
306.000 0
307.000 2
308.000 0
309.000 0
310.000 0
311.000 0
312.000 0
313.000 0
314.000 2
315.000 1
316.000 1
317.000 1
318.000 2
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 2
330.000 0
331.000 1
332.000 0
333.000 0
334.000 2
335.000 0
336.000 2
337.000 1
338.000 0
339.000 0
340.000 0
341.000 0
342.000 0
343.000 0
344.000 0
345.000 1
346.000 3
347.000 0
348.000 0
349.000 1
350.000 1
351.000 0
352.000 0
353.000 0
354.000 6
355.000 0
356.000 0
357.000 0
358.000 0
359.000 5
360.000 0
361.000 0
362.000 1
363.000 4
364.000 0
365.000 1
366.000 1
367.000 0
368.000 0
369.000 1
370.000 0
371.000 0
372.000 0
373.000 0
374.000 0
375.000 0
376.000 0
377.000 0
378.000 0
379.000 0
380.000 0
381.000 0
382.000 1
383.000 9
384.000 3
385.000 0
386.000 5
387.000 4
388.000 1
389.000 0
390.000 2
391.000 0
392.000 1
393.000 0
394.000 10
395.000 0
396.000 1
397.000 0
398.000 2
399.000 0
400.000 0
401.000 0
402.000 0
403.000 0
404.000 3
405.000 1
406.000 0
407.000 0
408.000 1
409.000 4
410.000 0
411.000 0
412.000 2
413.000 0
414.000 0
415.000 0
416.000 0
417.000 2
418.000 0
419.000 2
420.000 0
421.000 0
422.000 1
423.000 3
424.000 0
425.000 1
426.000 0
427.000 0
428.000 0
429.000 1
430.000 2
431.000 2
432.000 1
433.000 0
434.000 2
435.000 0
436.000 0
437.000 0
438.000 0
439.000 2
440.000 0
441.000 2
442.000 1
443.000 1
444.000 1
445.000 2
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 0
456.000 2
457.000 0
458.000 1
459.000 0
460.000 0
461.000 2
462.000 0
463.000 2
464.000 1
465.000 0
466.000 0
467.000 0
468.000 0
469.000 0
470.000 0
471.000 0
472.000 1
473.000 3
474.000 0
475.000 0
476.000 3
477.000 1
478.000 0
479.000 0
480.000 0
481.000 4
482.000 0
483.000 0
484.000 0
485.000 0
486.000 5
487.000 0
488.000 0
489.000 1
490.000 4
491.000 0
492.000 1
493.000 0
494.000 0
495.000 0
496.000 1
497.000 0
498.000 0
#Reported_Model_Average 0.880
#Overall_Average_Reported 0.880
List of bad contacts calculated by MAGE
/farm/software/bin/probe
: 7647:M 386 GLN 2HG :M 383 ASN 1HD2 : -0.893: 47
: 7647:M 383 ASN 1HD2 :M 386 GLN H : -0.840: 49
: 7647:M 383 ASN ND2 :M 386 GLN H : -0.830: 49
: 7647:M 383 ASN 2HD2 :M 383 ASN C : -0.725: 54
: 7647:M 386 GLN 2HG :M 383 ASN ND2 : -0.656: 47
: 7647:M 383 ASN C :M 383 ASN ND2 : -0.582: 54
: 7647:M 383 ASN ND2 :M 386 GLN CG : -0.420: 47
: 7647:M 5 GLN 2HG :M 2 ASN 1HD2 : -0.883: 48
: 7647:M 2 ASN ND2 :M 5 GLN H : -0.849: 48
: 7647:M 2 ASN 1HD2 :M 5 GLN H : -0.834: 48
: 7647:M 2 ASN 2HD2 :M 2 ASN C : -0.751: 53
: 7647:M 5 GLN 2HG :M 2 ASN ND2 : -0.659: 48
: 7647:M 2 ASN C :M 2 ASN ND2 : -0.597: 53
: 7647:M 2 ASN ND2 :M 5 GLN CG : -0.400: 48
: 7647:M 129 ASN 1HD2 :M 132 GLN 2HG : -0.860: 49
: 7647:M 129 ASN 1HD2 :M 132 GLN H : -0.848: 49
: 7647:M 129 ASN ND2 :M 132 GLN H : -0.826: 49
: 7647:M 129 ASN 2HD2 :M 129 ASN C : -0.725: 51
: 7647:M 132 GLN 2HG :M 129 ASN ND2 : -0.630: 49
: 7647:M 129 ASN C :M 129 ASN ND2 : -0.585: 51
: 7647:M 129 ASN ND2 :M 132 GLN CG : -0.400: 49
: 7647:M 256 ASN 1HD2 :M 259 GLN 2HG : -0.859: 49
: 7647:M 256 ASN ND2 :M 259 GLN H : -0.829: 49
: 7647:M 256 ASN 1HD2 :M 259 GLN H : -0.818: 49
: 7647:M 256 ASN 2HD2 :M 256 ASN C : -0.767: 53
: 7647:M 259 GLN 2HG :M 256 ASN ND2 : -0.651: 49
: 7647:M 256 ASN C :M 256 ASN ND2 : -0.521: 53
: 7647:M 13 LYS 2HB :M 13 LYS NZ : -0.802: 63
: 7647:M 13 LYS 2HB :M 13 LYS 3HZ : -0.553: 63
: 7647:M 13 LYS 2HB :M 13 LYS 2HZ : -0.536: 63
: 7647:M 9 TYR CE2 :M 13 LYS 2HG : -0.488: 75
: 7647:M 13 LYS NZ :M 13 LYS CB : -0.465: 63
: 7647:M 9 TYR CZ :M 13 LYS 2HG : -0.426: 75
: 7647:M 41 ALA 3HB :M 31 PHE 1HB : -0.799: 49
: 7647:M 105 ILE CG1 :M 100 LEU 2HD1 : -0.757: 51
: 7647:M 100 LEU 2HD1 :M 105 ILE 2HG1 : -0.702: 51
: 7647:M 105 ILE O :M 109 ILE 1HG1 : -0.700: 57
: 7647:M 64 LEU 1HD2 :M 109 ILE 3HD1 : -0.572: 43
: 7647:M 100 LEU CD1 :M 105 ILE 2HG1 : -0.569: 51
: 7647:M 6 PHE HE2 :M 109 ILE 2HD1 : -0.540: 43
: 7647:M 6 PHE HE2 :M 109 ILE CD1 : -0.535: 43
: 7647:M 64 LEU 3HD2 :M 108 LEU 2HB : -0.508: 42
: 7647:M 6 PHE HD2 :M 1 MET CE : -0.475: 86
: 7647:M 100 LEU 2HD1 :M 105 ILE 1HG1 : -0.456: 51
: 7647:M 100 LEU 2HD2 :M 100 LEU HA : -0.442: 47
: 7647:M 6 PHE HE1 :M 31 PHE CE1 : -0.416: 54
: 7647:M 394 LYS NZ :M 394 LYS 2HB : -0.798: 61
: 7647:M 394 LYS 2HZ :M 394 LYS 2HB : -0.641: 61
: 7647:M 390 TYR CE2 :M 394 LYS 2HG : -0.501: 71
: 7647:M 394 LYS NZ :M 394 LYS CB : -0.475: 61
: 7647:M 394 LYS 2HB :M 394 LYS 3HZ : -0.464: 61
: 7647:M 390 TYR CZ :M 394 LYS 2HG : -0.438: 71
: 7647:M 267 LYS 2HB :M 267 LYS NZ : -0.796: 64
: 7647:M 267 LYS 2HZ :M 267 LYS 2HB : -0.556: 64
: 7647:M 267 LYS 2HG :M 263 TYR CE2 : -0.529: 72
: 7647:M 267 LYS 2HB :M 267 LYS 3HZ : -0.514: 64
: 7647:M 267 LYS NZ :M 267 LYS CB : -0.452: 64
: 7647:M 263 TYR CZ :M 267 LYS 2HG : -0.448: 72
: 7647:M 140 LYS NZ :M 140 LYS 2HB : -0.791: 56
: 7647:M 140 LYS 2HZ :M 140 LYS 2HB : -0.607: 56
: 7647:M 140 LYS 2HG :M 136 TYR CE2 : -0.510: 71
: 7647:M 140 LYS 2HB :M 140 LYS 3HZ : -0.481: 56
: 7647:M 140 LYS NZ :M 140 LYS CB : -0.458: 56
: 7647:M 140 LYS 2HG :M 136 TYR CZ : -0.431: 71
: 7647:M 295 ALA 3HB :M 285 PHE 1HB : -0.787: 54
: 7647:M 359 ILE CG1 :M 354 LEU 2HD1 : -0.767: 54
: 7647:M 359 ILE O :M 363 ILE 1HG1 : -0.727: 55
: 7647:M 359 ILE 2HG1 :M 354 LEU 2HD1 : -0.722: 54
: 7647:M 354 LEU CD1 :M 359 ILE 2HG1 : -0.566: 54
: 7647:M 260 PHE HE2 :M 363 ILE 2HD1 : -0.556: 44
: 7647:M 363 ILE 3HD1 :M 318 LEU 1HD2 : -0.544: 51
: 7647:M 363 ILE CD1 :M 260 PHE HE2 : -0.543: 44
: 7647:M 318 LEU 3HD2 :M 362 LEU 2HB : -0.500: 51
: 7647:M 255 MET CE :M 260 PHE HD2 : -0.460: 86
: 7647:M 354 LEU 2HD1 :M 359 ILE 1HG1 : -0.442: 54
: 7647:M 260 PHE HE1 :M 285 PHE CE1 : -0.431: 53
: 7647:M 354 LEU 2HD2 :M 354 LEU HA : -0.422: 53
: 7647:M 158 PHE 1HB :M 168 ALA 3HB : -0.770: 41
: 7647:M 232 ILE CG1 :M 227 LEU 2HD1 : -0.764: 55
: 7647:M 232 ILE 2HG1 :M 227 LEU 2HD1 : -0.746: 55
: 7647:M 232 ILE O :M 236 ILE 1HG1 : -0.701: 53
: 7647:M 227 LEU CD1 :M 232 ILE 2HG1 : -0.595: 55
: 7647:M 191 LEU 1HD2 :M 236 ILE 3HD1 : -0.584: 46
: 7647:M 236 ILE CD1 :M 133 PHE HE2 : -0.544: 46
: 7647:M 236 ILE 2HD1 :M 133 PHE HE2 : -0.529: 46
: 7647:M 133 PHE HD2 :M 128 MET CE : -0.501: 88
: 7647:M 191 LEU 3HD2 :M 235 LEU 2HB : -0.490: 39
: 7647:M 133 PHE HE1 :M 158 PHE CE1 : -0.418: 46
: 7647:M 227 LEU 2HD1 :M 232 ILE 1HG1 : -0.411: 55
: 7647:M 486 ILE CG1 :M 481 LEU 2HD1 : -0.756: 59
: 7647:M 422 ALA 3HB :M 412 PHE 1HB : -0.750: 49
: 7647:M 486 ILE 2HG1 :M 481 LEU 2HD1 : -0.715: 59
: 7647:M 490 ILE 1HG1 :M 486 ILE O : -0.707: 49
: 7647:M 486 ILE 2HG1 :M 481 LEU CD1 : -0.571: 59
: 7647:M 445 LEU 1HD2 :M 490 ILE 3HD1 : -0.553: 45
: 7647:M 490 ILE CD1 :M 387 PHE HE2 : -0.537: 45
: 7647:M 387 PHE HE2 :M 490 ILE 2HD1 : -0.517: 45
: 7647:M 445 LEU 3HD2 :M 489 LEU 2HB : -0.512: 41
: 7647:M 387 PHE HD2 :M 382 MET CE : -0.491: 89
: 7647:M 412 PHE CE1 :M 387 PHE HE1 : -0.422: 65
: 7647:M 481 LEU 2HD1 :M 486 ILE 1HG1 : -0.416: 59
: 7647:M 77 LYS 1HB :M 80 ILE 2HD1 : -0.658: 57
: 7647:M 92 ILE HA :M 92 ILE 3HD1 : -0.492: 48
: 7647:M 80 ILE 3HG2 :M 92 ILE 3HG2 : -0.414: 35
: 7647:M 331 LYS 1HB :M 334 ILE 2HD1 : -0.650: 56
: 7647:M 334 ILE 3HG2 :M 346 ILE 3HG2 : -0.433: 37
: 7647:M 346 ILE HA :M 346 ILE 3HD1 : -0.421: 43
: 7647:M 423 LEU 2HB :M 444 ASP 1HB : -0.635: 41
: 7647:M 423 LEU 3HD1 :M 425 MET CE : -0.551: 59
: 7647:M 423 LEU O :M 443 ILE HA : -0.448: 41
: 7647:M 204 LYS 1HB :M 207 ILE 2HD1 : -0.620: 57
: 7647:M 219 ILE HA :M 219 ILE 3HD1 : -0.500: 55
: 7647:M 219 ILE 3HG2 :M 207 ILE 3HG2 : -0.457: 39
: 7647:M 430 GLU 2HG :M 431 LYS N : -0.617: 71
: 7647:M 430 GLU 2HG :M 431 LYS H : -0.462: 71
: 7647:M 169 LEU 2HB :M 190 ASP 1HB : -0.615: 43
: 7647:M 171 MET CE :M 169 LEU 3HD1 : -0.537: 64
: 7647:M 190 ASP 1HB :M 169 LEU CB : -0.422: 43
: 7647:M 189 ILE HA :M 169 LEU O : -0.421: 39
: 7647:M 303 GLU 2HG :M 304 LYS N : -0.608: 76
: 7647:M 303 GLU 2HG :M 304 LYS H : -0.478: 76
: 7647:M 458 LYS 1HB :M 461 ILE 2HD1 : -0.603: 59
: 7647:M 50 LYS N :M 49 GLU 2HG : -0.603: 76
: 7647:M 473 ILE HA :M 473 ILE 3HD1 : -0.476: 56
: 7647:M 461 ILE 3HG2 :M 473 ILE 3HG2 : -0.457: 40
: 7647:M 50 LYS H :M 49 GLU 2HG : -0.453: 76
: 7647:M 63 ASP 1HB :M 42 LEU 2HB : -0.600: 38
: 7647:M 44 MET CE :M 42 LEU 3HD1 : -0.525: 64
: 7647:M 62 ILE HA :M 42 LEU O : -0.432: 50
: 7647:M 296 LEU 2HB :M 317 ASP 1HB : -0.595: 35
: 7647:M 298 MET CE :M 296 LEU 3HD1 : -0.526: 49
: 7647:M 296 LEU O :M 316 ILE HA : -0.439: 44
: 7647:M 176 GLU 2HG :M 177 LYS N : -0.589: 75
: 7647:M 177 LYS H :M 176 GLU 2HG : -0.467: 75
: 7647:M 257 ARG O :M 261 ILE 3HG2 : -0.585: 47
: 7647:M 257 ARG NH2 :M 281 ASP 2HB : -0.455: 58
: 7647:M 314 ASP OD2 :M 257 ARG NH1 : -0.427: 68
: 7647:M 262 ASP N :M 261 ILE 2HG1 : -0.423: 57
: 7647:M 314 ASP O :M 350 LEU 1HB : -0.421: 50
: 7647:M 257 ARG NH2 :M 281 ASP O : -0.418: 63
: 7647:M 3 ARG O :M 7 ILE 3HG2 : -0.575: 46
: 7647:M 27 ASP 2HB :M 3 ARG NH2 : -0.435: 59
: 7647:M 60 ASP OD2 :M 3 ARG NH1 : -0.434: 58
: 7647:M 8 ASP N :M 7 ILE 2HG1 : -0.417: 52
: 7647:M 96 LEU 1HB :M 60 ASP O : -0.416: 38
: 7647:M 7 ILE 3HG2 :M 7 ILE H : -0.401: 40
: 7647:M 23 GLU H :M 23 GLU CD : -0.571: 91
: 7647:M 24 LYS N :M 23 GLU 1HG : -0.418: 79
: 7647:M 180 ILE 3HG2 :M 175 ALA 1HB : -0.570: 49
: 7647:M 180 ILE 2HG2 :M 178 ILE 2HG1 : -0.527: 49
: 7647:M 175 ALA 2HB :M 184 LYS 2HG : -0.410: 46
: 7647:M 269 ASP HA :M 265 GLN O : -0.567: 68
: 7647:M 15 ASP HA :M 11 GLN O : -0.564: 72
: 7647:M 396 ASP HA :M 392 GLN O : -0.564: 64
: 7647:M 142 ASP HA :M 138 GLN O : -0.563: 73
: 7647:M 388 ILE 3HG2 :M 384 ARG O : -0.560: 54
: 7647:M 150 GLU CD :M 150 GLU H : -0.560: 93
: 7647:M 408 ASP 2HB :M 384 ARG NH2 : -0.433: 57
: 7647:M 441 ASP OD2 :M 384 ARG NH1 : -0.432: 61
: 7647:M 477 LEU 1HB :M 441 ASP O : -0.432: 51
: 7647:M 151 LYS N :M 150 GLU 1HG : -0.425: 84
: 7647:M 130 ARG O :M 134 ILE 3HG2 : -0.558: 42
: 7647:M 187 ASP OD2 :M 130 ARG NH1 : -0.458: 63
: 7647:M 130 ARG NH2 :M 154 ASP 2HB : -0.428: 56
: 7647:M 404 GLU H :M 404 GLU CD : -0.553: 85
: 7647:M 405 LYS N :M 404 GLU 1HG : -0.424: 80
: 7647:M 307 ILE 3HG2 :M 302 ALA 1HB : -0.549: 46
: 7647:M 307 ILE 2HG2 :M 305 ILE 2HG1 : -0.516: 47
: 7647:M 277 GLU CD :M 277 GLU H : -0.548: 93
: 7647:M 202 ARG NE :M 209 PRO 2HG : -0.548: 52
: 7647:M 209 PRO 2HG :M 202 ARG CZ : -0.530: 60
: 7647:M 277 GLU 1HG :M 278 LYS N : -0.413: 82
: 7647:M 463 PRO 2HG :M 456 ARG NE : -0.542: 55
: 7647:M 432 ILE 2HG1 :M 434 ILE 2HG2 : -0.542: 54
: 7647:M 434 ILE 3HG2 :M 429 ALA 1HB : -0.538: 54
: 7647:M 456 ARG CZ :M 463 PRO 2HG : -0.520: 58
: 7647:M 82 PRO 2HG :M 75 ARG NE : -0.540: 55
: 7647:M 82 PRO 2HG :M 75 ARG CZ : -0.502: 58
: 7647:M 81 TYR 2HB :M 82 PRO CD : -0.409: 40
: 7647:M 336 PRO 2HG :M 329 ARG NE : -0.538: 56
: 7647:M 336 PRO 2HG :M 329 ARG CZ : -0.526: 59
: 7647:M 53 ILE 2HG2 :M 51 ILE 2HG1 : -0.526: 54
: 7647:M 48 ALA 1HB :M 53 ILE 3HG2 : -0.522: 54
: 7647:M 17 LYS 2HD :M 17 LYS O : -0.525: 84
: 7647:M 271 LYS O :M 271 LYS 2HD : -0.521: 82
: 7647:M 99 PRO CB :M 226 PRO 1HB : -0.519: 54
: 7647:M 99 PRO 1HB :M 226 PRO 1HB : -0.476: 54
: 7647:M 99 PRO 1HB :M 226 PRO CB : -0.452: 54
: 7647:M 409 TYR N :M 409 TYR HD2 : -0.486: 49
: 7647:M 409 TYR CD2 :M 409 TYR N : -0.453: 49
: 7647:M 419 LYS 2HG :M 417 ASN CG : -0.482: 61
: 7647:M 155 TYR N :M 155 TYR HD2 : -0.482: 44
: 7647:M 155 TYR N :M 155 TYR CD2 : -0.452: 44
: 7647:M 419 LYS 2HG :M 417 ASN OD1 : -0.428: 59
: 7647:M 83 ALA 2HB :M 91 TRP C : -0.481: 53
: 7647:M 28 TYR N :M 28 TYR HD2 : -0.479: 45
: 7647:M 28 TYR CD2 :M 28 TYR N : -0.467: 45
: 7647:M 282 TYR N :M 282 TYR HD2 : -0.477: 44
: 7647:M 282 TYR CD2 :M 282 TYR N : -0.461: 44
: 7647:M 398 LYS 2HD :M 398 LYS O : -0.476: 84
: 7647:M 163 ASN CG :M 165 LYS 2HG : -0.470: 76
: 7647:M 165 LYS 2HG :M 163 ASN OD1 : -0.400: 70
: 7647:M 144 LYS O :M 144 LYS 2HD : -0.465: 89
: 7647:M 464 ALA 2HB :M 472 TRP C : -0.463: 49
: 7647:M 476 LEU 3HD2 :M 442 VAL 2HG1 : -0.457: 35
: 7647:M 476 LEU 3HD1 :M 476 LEU C : -0.403: 42
: 7647:M 496 LEU 1HB :M 492 ASP O : -0.456: 47
: 7647:M 292 LYS 2HG :M 290 ASN CG : -0.453: 74
: 7647:M 337 ALA 2HB :M 345 TRP C : -0.450: 50
: 7647:M 365 ASP O :M 369 LEU 1HB : -0.446: 52
: 7647:M 38 LYS 2HG :M 36 ASN CG : -0.437: 67
: 7647:M 210 ALA 2HB :M 218 TRP C : -0.435: 38
: 7647:M 238 ASP O :M 242 LEU 1HB : -0.434: 58
: 7647:M 188 VAL 2HG1 :M 222 LEU 3HD2 : -0.423: 39
: 7647:M 95 LEU 3HD2 :M 61 VAL 2HG1 : -0.417: 44
: 7647:M 111 ASP O :M 115 LEU 1HB : -0.416: 53
: 7647:M 349 LEU 3HD2 :M 315 VAL 2HG1 : -0.415: 40
: 7647:M 439 ARG HE :M 439 ARG 2HB : -0.411: 44
: 7647:M 294 TYR O :M 366 SER OG : -0.400: 33
#sum2 ::28.64 clashscore : 7.33 clashscore B<40
#summary::7647 atoms:2184 atoms B<40:858192 potential dots:53640.0 A^2:219 bumps:16 bumps B<40:2012 score
Output from PDB validation software
Summary from PDB validation
May. 10, 16:00:27 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 0.009 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
------------------------------------------------------------------------
0.058 LYS C 88 CE - NZ 1.547 1.489
*** Covalent Angle Values:
The RMS deviation for covalent angles relative to the standard
dictionary is 1.3 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
--------------------------------------------------------------------------------
-8.4 ASN A 97 N - CA - C 102.8 111.2
-7.9 ASN B 97 N - CA - C 103.3 111.2
-8.1 ASP C 45 N - CA - C 103.1 111.2
-8.6 ASN C 97 N - CA - C 102.6 111.2
-8.0 ASN D 97 N - CA - C 103.2 111.2
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.
==> The following residues have missing atoms:
RES MOD#C SEQ ATOMS
MET( A 1) SD
MET( A 44) SD
MET( A 86) SD
MET( B 1) SD
MET( B 44) SD
MET( B 86) SD
MET( C 1) SD
MET( C 44) SD
MET( C 86) SD
MET( D 1) SD
MET( D 44) SD
MET( D 86) SD
==> The following residues have extra atoms:
RES MOD#C SEQ ATOMS
MET( A 1) SE
MET( A 44) SE
MET( A 86) SE
MET( B 1) SE
MET( B 44) SE
MET( B 86) SE
MET( C 1) SE
MET( C 44) SE
MET( C 86) SE
MET( D 1) SE
MET( D 44) SE
MET( D 86) SE
PSR293_XRay_em_bcr3.pdb: Error: Record (RES: MSE CHNID: A SSEQ: 1) in Token 'MODRES' can not be found in coordinates
PSR293_XRay_em_bcr3.pdb: Error: Record (RES: MSE CHNID: A SSEQ: 44) in Token 'MODRES' can not be found in coordinates
PSR293_XRay_em_bcr3.pdb: Error: Record (RES: MSE CHNID: A SSEQ: 86) in Token 'MODRES' can not be found in coordinates
PSR293_XRay_em_bcr3.pdb: Error: Record (RES: MSE CHNID: B SSEQ: 1) in Token 'MODRES' can not be found in coordinates
PSR293_XRay_em_bcr3.pdb: Error: Record (RES: MSE CHNID: B SSEQ: 44) in Token 'MODRES' can not be found in coordinates
PSR293_XRay_em_bcr3.pdb: Error: Record (RES: MSE CHNID: B SSEQ: 86) in Token 'MODRES' can not be found in coordinates
PSR293_XRay_em_bcr3.pdb: Error: Record (RES: MSE CHNID: C SSEQ: 1) in Token 'MODRES' can not be found in coordinates
PSR293_XRay_em_bcr3.pdb: Error: Record (RES: MSE CHNID: C SSEQ: 44) in Token 'MODRES' can not be found in coordinates
PSR293_XRay_em_bcr3.pdb: Error: Record (RES: MSE CHNID: C SSEQ: 86) in Token 'MODRES' can not be found in coordinates
PSR293_XRay_em_bcr3.pdb: Error: Record (RES: MSE CHNID: D SSEQ: 1) in Token 'MODRES' can not be found in coordinates
PSR293_XRay_em_bcr3.pdb: Error: Record (RES: MSE CHNID: D SSEQ: 44) in Token 'MODRES' can not be found in coordinates
PSR293_XRay_em_bcr3.pdb: Error: Record (RES: MSE CHNID: D SSEQ: 86) in Token 'MODRES' can not be found in coordinates