Detailed results of STR70_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 >>>----------+
| |
| STR70_XRay_em_bcr3_noHs_000.rin 0.0 404 residues |
| |
+| Ramachandran plot: 85.6% core 13.1% allow 1.3% gener 0.0% disall |
| |
*| All Ramachandrans: 20 labelled residues (out of 356) |
+| Chi1-chi2 plots: 5 labelled residues (out of 236) |
JPEG image for all model Ramachandran Plot
Residue Properties for all models
JPEG for all model Residue Properties - page $num_n
JPEG for all model Residue Properties - page $num_n
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JPEG for all model Residue Properties - page $num_n
Model Secondary Structures from Procheck
JPEG for Model Secondary Structures - page $num_n
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JPEG for Model Secondary Structures - page $num_n
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Ramachandran Plots for each residue
JPEG for residue Ramachandran Plots - page $num_n
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JPEG for residue Ramachandran Plots - page $num_n
Ramachandran analysis for each residue from Molprobity
Chi1-Chi2 Plots for each residue
JPEG for residue Chi1-Chi2 Plots - page $num_n
JPEG for residue Chi1-Chi2 Plots - page $num_n
JPEG for residue Chi1-Chi2 Plots - page $num_n
JPEG for residue Chi1-Chi2 Plots - page $num_n
JPEG for residue Chi1-Chi2 Plots - page $num_n
JPEG for residue Chi1-Chi2 Plots - page $num_n
JPEG for residue Chi1-Chi2 Plots - page $num_n
JPEG for residue Chi1-Chi2 Plots - page $num_n
JPEG for residue Chi1-Chi2 Plots - page $num_n
JPEG for residue Chi1-Chi2 Plots - page $num_n
JPEG for residue Chi1-Chi2 Plots - page $num_n
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
8 0.74
9 0.99
10 0.99
11 0.95
12 0.97
13 0.67
14 0.84
15 -0.02
16 -0.12
17 -0.35
18 0.91
19 0.09
20 -0.22
21 -0.26
22 -0.03
23 -2.57
24 -3.07
35 -2.04
36 0.02
37 -0.14
38 0.08
39 0.52
40 -0.18
41 0.10
42 -0.48
43 -0.33
44 -1.00
45 -0.48
46 -2.93
53 -0.51
54 1.39
55 -1.66
59 0.14
60 1.08
61 0.24
62 0.82
63 0.96
64 -1.10
65 -1.46
66 -0.70
67 0.16
68 -0.53
69 -1.63
70 -2.78
71 -0.56
72 0.31
73 -0.53
74 -0.01
75 -1.04
76 -2.58
77 0.82
78 0.19
79 -0.60
80 -0.41
81 0.19
82 0.05
83 -3.37
84 -3.49
85 0.40
86 -0.92
87 -0.83
88 0.44
89 -1.21
90 -0.54
91 -0.46
92 0.20
93 0.54
94 -0.74
95 -0.86
96 -0.04
97 0.23
98 -1.32
99 -0.47
100 -3.34
107 -0.04
108 0.20
109 -0.09
110 0.07
111 -0.06
112 0.54
113 -2.26
114 -0.37
115 0.72
116 0.09
117 0.88
118 0.87
122 0.88
123 1.01
124 0.98
137 0.74
138 0.99
139 0.99
140 0.35
141 0.97
142 0.67
143 0.84
144 -0.02
145 -0.12
146 -0.35
147 0.91
148 0.09
149 -0.22
150 -0.26
151 -0.03
152 -2.57
153 -3.07
164 -2.16
165 0.02
166 -0.14
167 0.08
168 0.49
169 -0.18
170 0.10
171 -0.48
172 -0.33
173 -1.00
174 -0.48
175 -2.93
182 -0.51
183 1.39
184 -1.66
188 0.14
189 0.82
190 0.24
191 0.88
192 0.96
193 -1.10
194 -1.46
195 -0.70
196 -0.42
197 -0.53
198 -1.63
199 -2.78
200 -0.68
201 0.31
202 -0.53
203 -0.01
204 -0.78
205 -2.58
206 0.82
207 0.19
208 -1.28
209 -0.41
210 0.19
211 -1.02
212 -3.37
213 -3.49
214 0.33
215 -0.92
216 -0.46
217 0.44
218 -1.05
219 -0.54
220 -0.46
221 0.20
222 0.54
223 -0.74
224 -0.86
225 -0.04
226 0.23
227 0.01
228 -3.61
229 -3.34
236 -0.04
237 0.20
238 -0.09
239 0.07
240 0.06
241 0.54
242 -0.74
243 -0.37
244 0.72
245 0.09
246 0.82
247 1.24
251 0.88
252 1.01
253 0.98
266 0.74
267 0.99
268 0.99
269 0.35
270 0.97
271 0.67
272 0.84
273 -0.02
274 -0.12
275 -0.35
276 0.91
277 -0.33
278 -0.22
279 0.37
280 -0.03
281 -2.57
282 -3.46
293 -2.04
294 0.02
295 -0.14
296 0.08
297 0.49
298 -0.18
299 0.08
300 -0.48
301 -0.33
302 -1.52
303 -0.48
304 -2.93
311 -0.04
312 1.39
313 -1.66
317 0.14
318 1.08
319 0.24
320 0.82
321 0.96
322 -0.59
323 -1.46
324 -0.70
325 -1.32
326 -0.53
327 -1.63
328 -2.78
329 -0.68
330 0.04
331 -0.76
332 -0.06
333 -0.78
334 -2.58
335 0.82
336 0.19
337 -1.28
338 -0.41
339 0.19
340 -1.02
341 -3.37
342 -3.49
343 0.33
344 -0.92
345 -0.83
346 0.58
347 -1.05
348 -0.54
349 -0.23
350 0.06
351 0.54
352 -0.74
353 -0.86
354 -0.04
355 0.23
356 0.01
357 -3.61
358 -3.34
365 -0.04
366 0.20
367 -0.09
368 0.07
369 -0.06
370 0.54
371 -0.74
372 -0.37
373 0.72
374 0.09
375 0.82
376 1.24
380 0.88
381 1.01
382 0.98
395 0.74
396 0.99
397 0.99
398 0.95
399 0.97
400 1.14
401 0.84
402 -0.02
403 -0.83
404 -0.27
405 0.68
406 -0.33
407 -0.22
408 0.37
409 -0.03
410 -3.23
411 -3.46
422 -2.04
423 0.02
424 -0.14
425 0.08
426 0.52
427 -0.08
428 0.08
429 -0.09
430 -0.56
431 -1.52
432 -0.48
433 -2.93
440 -0.51
441 1.39
442 -1.66
446 0.09
447 1.08
448 0.24
449 0.88
450 0.96
451 -1.10
452 -1.46
453 -0.70
454 -1.32
455 -0.53
456 -1.63
457 -2.78
458 -0.68
459 0.04
460 -0.53
461 -0.06
462 -0.78
463 -2.58
464 0.82
465 0.19
466 -1.28
467 -0.41
468 0.19
469 0.05
470 -3.15
471 -3.49
472 0.33
473 -0.92
474 -0.46
475 0.44
476 -1.05
477 -0.54
478 -0.46
479 0.20
480 0.54
481 -0.74
482 -0.86
483 -0.04
484 0.23
485 0.01
486 -3.61
487 -3.34
494 -0.04
495 0.01
496 -0.09
497 0.07
498 -0.06
499 0.54
500 -0.74
501 -0.37
502 0.72
503 0.09
504 0.82
505 1.24
509 0.88
510 1.01
511 0.56
#Reported_Model_Average -0.348
#Overall_Average_Reported -0.348
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
7 0.32
8 0.55
9 0.99
10 0.46
11 0.06
12 0.56
13 0.56
14 0.72
15 0.43
16 0.26
17 0.33
18 0.91
19 -0.08
20 -0.01
21 -0.26
22 0.05
23 -1.78
24 -3.07
25 -0.03
34 -1.08
35 -2.04
36 0.31
37 -0.14
38 -0.50
39 0.57
40 -0.29
41 0.30
42 -0.25
43 -0.52
44 -0.57
45 -0.48
46 -1.68
47 -0.23
52 -0.03
53 0.13
54 0.95
55 -1.66
56 -0.55
58 -0.12
59 0.14
60 -0.35
61 -0.53
62 0.68
63 -0.15
64 -1.14
65 -0.81
66 -0.70
67 -0.36
68 -1.54
69 -1.41
70 -1.27
71 -0.59
72 0.03
73 -0.53
74 -0.28
75 -1.04
76 -2.09
77 0.85
78 -1.33
79 -0.57
80 -0.56
81 0.25
82 0.05
83 -1.27
84 -3.49
85 0.23
86 -0.15
87 -0.01
88 -1.44
89 -0.20
90 -1.70
91 0.03
92 0.45
93 0.54
94 -0.74
95 0.01
96 -0.25
97 0.49
98 -0.62
99 -0.67
100 -3.54
101 0.00
106 0.00
107 0.26
108 0.29
109 -0.09
110 -1.29
111 0.06
112 0.54
113 -1.28
114 -0.37
115 -0.24
116 -0.08
117 0.52
118 0.82
119 0.91
121 0.46
122 0.08
123 0.82
124 0.92
125 -0.01
136 0.83
137 0.01
138 0.99
139 0.46
140 -0.24
141 0.56
142 0.37
143 0.41
144 0.43
145 0.32
146 0.33
147 0.91
148 -0.08
149 -0.01
150 -0.26
151 -0.56
152 -1.91
153 -3.07
154 -0.03
163 -1.08
164 -2.16
165 0.31
166 -0.14
167 -0.50
168 0.56
169 -0.29
170 0.30
171 -0.25
172 0.17
173 -0.57
174 -0.48
175 -1.68
176 -0.23
181 -0.03
182 0.13
183 0.95
184 -1.66
185 -0.55
187 -0.12
188 0.14
189 -0.48
190 -0.53
191 0.70
192 -0.15
193 -1.14
194 -0.81
195 -0.70
196 -0.65
197 -1.48
198 -1.41
199 -1.27
200 -0.65
201 0.03
202 -0.53
203 0.13
204 -0.78
205 -2.09
206 0.85
207 -1.33
208 -0.91
209 -0.56
210 -0.01
211 -1.02
212 -1.27
213 -3.49
214 0.19
215 -0.15
216 0.18
217 -1.44
218 -0.28
219 -1.70
220 0.03
221 0.45
222 0.54
223 -0.74
224 -0.19
225 -0.25
226 0.19
227 0.28
228 -1.00
229 -2.17
230 0.00
235 0.00
236 0.26
237 -0.26
238 -0.09
239 -0.89
240 0.11
241 0.54
242 -0.52
243 -0.37
244 -0.24
245 -0.08
246 0.49
247 0.86
248 0.91
250 0.46
251 0.08
252 0.81
253 0.79
254 -0.01
265 0.32
266 0.01
267 0.99
268 0.46
269 -0.24
270 0.56
271 0.56
272 0.72
273 0.45
274 0.26
275 0.32
276 0.91
277 -0.29
278 -0.01
279 0.37
280 -0.03
281 -1.91
282 -3.46
283 -0.72
292 -1.08
293 -2.04
294 0.36
295 -0.14
296 -0.50
297 0.56
298 -0.29
299 0.47
300 -0.60
301 -0.18
302 -0.70
303 -0.48
304 -1.68
305 -0.23
310 -0.03
311 0.43
312 0.95
313 -1.66
314 -0.55
316 -0.12
317 0.14
318 -0.35
319 -0.66
320 0.68
321 -0.15
322 -0.89
323 -0.81
324 -0.70
325 -1.10
326 -1.54
327 -1.41
328 -1.27
329 -0.50
330 -0.10
331 -0.76
332 -0.15
333 -0.78
334 -2.09
335 0.86
336 -1.33
337 -0.91
338 -0.22
339 0.25
340 -1.02
341 -1.27
342 -3.49
343 0.15
344 -0.39
345 -0.01
346 -1.37
347 -0.12
348 -1.70
349 0.15
350 0.38
351 0.54
352 -0.74
353 -0.05
354 -0.25
355 0.52
356 0.28
357 -1.00
358 -2.17
359 0.00
364 0.00
365 0.26
366 0.08
367 -0.09
368 -0.89
369 0.20
370 0.54
371 -0.52
372 -0.37
373 -0.24
374 -0.08
375 0.49
376 1.00
377 0.91
379 0.46
380 0.08
381 0.82
382 0.83
383 -0.01
394 0.32
395 0.01
396 0.99
397 0.46
398 0.06
399 0.73
400 0.80
401 0.72
402 0.43
403 -0.17
404 0.36
405 0.68
406 -0.16
407 -0.01
408 0.37
409 -0.14
410 -2.24
411 -3.46
412 -0.72
421 -1.08
422 -2.04
423 0.31
424 -0.14
425 -0.50
426 0.57
427 -0.24
428 0.47
429 -0.06
430 0.05
431 -0.83
432 -0.48
433 -1.68
434 -0.23
439 -0.72
440 0.20
441 0.95
442 -1.66
443 -0.55
445 -0.12
446 0.09
447 -0.35
448 -0.53
449 0.71
450 -0.15
451 -1.14
452 -1.03
453 -0.70
454 -1.10
455 -1.54
456 -1.41
457 -1.27
458 -0.65
459 0.42
460 -0.53
461 -0.31
462 -0.78
463 -2.09
464 0.84
465 -1.33
466 -1.10
467 -0.22
468 0.25
469 0.05
470 -1.16
471 -3.49
472 0.19
473 -0.15
474 0.18
475 -1.44
476 -0.23
477 -1.70
478 0.03
479 0.45
480 0.54
481 -0.74
482 -0.11
483 -0.25
484 0.31
485 0.28
486 -1.00
487 -2.17
488 0.00
493 0.00
494 0.41
495 0.19
496 -0.09
497 -0.89
498 0.06
499 0.54
500 -0.52
501 -0.37
502 -0.24
503 -0.08
504 0.41
505 1.00
506 0.91
508 0.46
509 0.62
510 0.82
511 0.77
512 -0.01
#Reported_Model_Average -0.297
#Overall_Average_Reported -0.297
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
7 1.04
8 0.34
9 0.14
10 0.77
11 1.62
12 0.25
13 0.24
14 1.06
15 -0.68
16 0.08
17 0.71
18 1.10
19 1.62
20 -0.03
21 0.64
22 -0.09
23 0.28
24 0.14
25 0.34
34 -0.80
35 1.10
36 0.51
37 1.10
38 1.00
39 0.93
40 1.06
41 1.06
42 0.59
43 0.17
44 0.51
45 0.64
46 -0.41
47 -0.41
52 0.17
53 0.23
54 -0.26
55 -0.07
56 -0.74
57 0.23
58 0.93
59 -0.25
60 -1.13
61 1.06
62 1.06
63 0.71
64 -0.46
65 1.04
66 0.25
67 -0.57
68 0.71
69 0.23
70 0.96
71 -0.03
72 0.66
73 0.49
74 0.66
75 0.49
76 0.34
77 -0.68
78 0.04
79 -0.57
80 0.59
81 0.04
82 0.14
83 0.93
84 1.10
85 0.23
86 0.24
87 1.04
88 0.41
89 1.00
90 0.24
91 0.24
92 0.71
93 0.44
94 0.49
95 0.55
96 1.06
97 1.00
98 1.40
99 0.55
100 0.23
101 1.10
106 -0.25
107 1.06
108 0.59
109 1.10
110 -1.63
111 1.04
112 0.25
113 1.62
114 0.14
115 0.28
116 0.77
117 0.29
118 0.08
119 -0.68
120 0.91
121 0.24
122 0.34
123 -0.28
124 0.66
125 0.23
136 1.04
137 0.34
138 0.14
139 0.77
140 1.62
141 0.25
142 0.24
143 1.06
144 0.77
145 0.08
146 0.71
147 1.10
148 1.62
149 0.25
150 -0.07
151 -0.09
152 0.28
153 0.14
154 0.34
163 -0.80
164 1.10
165 0.51
166 1.10
167 1.00
168 0.93
169 1.06
170 1.06
171 0.59
172 0.17
173 0.51
174 0.64
175 -0.41
176 -0.41
181 0.17
182 0.23
183 -0.26
184 -0.07
185 -0.74
186 0.23
187 0.93
188 -0.25
189 0.28
190 1.06
191 1.06
192 0.24
193 0.28
194 1.04
195 0.25
196 -0.57
197 0.71
198 0.23
199 0.96
200 -0.03
201 0.66
202 0.49
203 1.00
204 0.49
205 0.34
206 -0.68
207 0.28
208 -0.57
209 0.59
210 0.28
211 0.14
212 0.93
213 1.10
214 0.23
215 0.24
216 1.04
217 0.41
218 1.00
219 0.24
220 0.24
221 0.71
222 0.44
223 0.49
224 0.55
225 1.06
226 1.00
227 1.04
228 0.55
229 0.23
230 1.10
235 0.14
236 1.06
237 0.17
238 1.10
239 -0.94
240 1.04
241 0.25
242 1.12
243 0.14
244 0.28
245 0.77
246 0.29
247 0.08
248 -0.68
249 0.91
250 0.24
251 0.34
252 -0.28
253 0.66
254 0.23
265 1.04
266 0.34
267 0.14
268 0.77
269 1.62
270 0.25
271 0.24
272 1.06
273 0.29
274 0.08
275 0.71
276 1.10
277 1.62
278 0.25
279 -0.07
280 -0.09
281 0.28
282 0.14
283 0.34
292 -0.80
293 1.10
294 0.51
295 1.10
296 1.00
297 0.93
298 1.06
299 1.06
300 0.59
301 0.59
302 0.51
303 0.64
304 -0.41
305 -0.41
310 0.17
311 0.23
312 -0.26
313 -0.07
314 -0.74
315 0.23
316 0.93
317 -0.25
318 -2.01
319 1.06
320 1.06
321 0.71
322 -0.46
323 1.04
324 0.25
325 -0.57
326 0.71
327 0.23
328 0.96
329 -0.03
330 0.66
331 0.49
332 1.00
333 0.49
334 0.34
335 -0.68
336 0.04
337 -0.57
338 0.59
339 0.04
340 0.14
341 0.93
342 1.10
343 0.23
344 0.24
345 1.04
346 0.41
347 1.00
348 0.24
349 0.24
350 0.71
351 0.44
352 0.49
353 0.55
354 1.06
355 1.00
356 1.04
357 0.55
358 0.23
359 1.10
364 -0.25
365 1.06
366 0.17
367 1.10
368 -1.63
369 1.04
370 0.25
371 1.62
372 0.14
373 0.28
374 0.77
375 0.29
376 0.08
377 -0.68
378 0.91
379 0.24
380 0.34
381 -0.28
382 0.66
383 0.23
394 1.40
395 0.34
396 0.14
397 0.77
398 1.62
399 0.25
400 0.24
401 1.06
402 0.77
403 0.08
404 0.71
405 1.10
406 1.62
407 0.25
408 -0.07
409 -0.09
410 0.28
411 0.14
412 0.34
421 -0.74
422 1.10
423 0.51
424 1.10
425 1.00
426 0.93
427 1.06
428 1.06
429 0.59
430 0.59
431 0.51
432 0.64
433 -0.41
434 -0.41
439 0.17
440 0.23
441 -0.26
442 -0.07
443 -0.74
444 0.23
445 0.93
446 -0.25
447 -1.13
448 1.06
449 1.06
450 0.71
451 -0.46
452 1.04
453 0.25
454 -0.57
455 0.71
456 0.23
457 0.96
458 -0.03
459 0.66
460 0.49
461 1.00
462 0.49
463 0.34
464 -0.68
465 0.04
466 -0.57
467 0.59
468 0.28
469 0.14
470 0.93
471 1.10
472 0.23
473 0.24
474 1.04
475 0.41
476 1.00
477 0.24
478 0.24
479 0.71
480 0.44
481 0.49
482 0.55
483 1.06
484 1.00
485 1.04
486 0.55
487 0.23
488 1.10
493 0.14
494 1.06
495 0.59
496 1.10
497 -0.94
498 1.04
499 0.25
500 1.62
501 0.14
502 0.28
503 0.77
504 0.29
505 0.08
506 -0.68
507 0.91
508 0.24
509 0.34
510 -0.28
511 0.66
512 0.23
#Reported_Model_Average 0.429
#Overall_Average_Reported 0.429
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
7 1.04
8 0.34
9 0.14
10 0.77
11 1.62
12 0.25
13 0.24
14 1.06
15 -0.68
16 0.08
17 0.71
18 1.10
19 1.62
20 -0.03
21 0.64
22 -0.09
23 0.28
24 0.14
25 0.34
34 -0.80
35 1.10
36 0.51
37 1.10
38 1.00
39 0.93
40 1.06
41 1.06
42 0.59
43 0.17
44 0.51
45 0.64
46 -0.41
47 -0.41
52 0.17
53 0.23
54 -0.26
55 -0.07
56 -0.74
57 0.23
58 0.93
59 -0.25
60 -1.13
61 1.06
62 1.06
63 0.71
64 -0.46
65 1.04
66 0.25
67 -0.57
68 0.71
69 0.23
70 0.96
71 -0.03
72 0.66
73 0.49
74 0.66
75 0.49
76 0.34
77 -0.68
78 0.04
79 -0.57
80 0.59
81 0.04
82 0.14
83 0.93
84 1.10
85 0.23
86 0.24
87 1.04
88 0.41
89 1.00
90 0.24
91 0.24
92 0.71
93 0.44
94 0.49
95 0.55
96 1.06
97 1.00
98 1.40
99 0.55
100 0.23
101 1.10
106 -0.25
107 1.06
108 0.59
109 1.10
110 -1.63
111 1.04
112 0.25
113 1.62
114 0.14
115 0.28
116 0.77
117 0.29
118 0.08
119 -0.68
120 0.91
121 0.24
122 0.34
123 -0.28
124 0.66
125 0.23
136 1.04
137 0.34
138 0.14
139 0.77
140 1.62
141 0.25
142 0.24
143 1.06
144 0.77
145 0.08
146 0.71
147 1.10
148 1.62
149 0.25
150 -0.07
151 -0.09
152 0.28
153 0.14
154 0.34
163 -0.80
164 1.10
165 0.51
166 1.10
167 1.00
168 0.93
169 1.06
170 1.06
171 0.59
172 0.17
173 0.51
174 0.64
175 -0.41
176 -0.41
181 0.17
182 0.23
183 -0.26
184 -0.07
185 -0.74
186 0.23
187 0.93
188 -0.25
189 0.28
190 1.06
191 1.06
192 0.24
193 0.28
194 1.04
195 0.25
196 -0.57
197 0.71
198 0.23
199 0.96
200 -0.03
201 0.66
202 0.49
203 1.00
204 0.49
205 0.34
206 -0.68
207 0.28
208 -0.57
209 0.59
210 0.28
211 0.14
212 0.93
213 1.10
214 0.23
215 0.24
216 1.04
217 0.41
218 1.00
219 0.24
220 0.24
221 0.71
222 0.44
223 0.49
224 0.55
225 1.06
226 1.00
227 1.04
228 0.55
229 0.23
230 1.10
235 0.14
236 1.06
237 0.17
238 1.10
239 -0.94
240 1.04
241 0.25
242 1.12
243 0.14
244 0.28
245 0.77
246 0.29
247 0.08
248 -0.68
249 0.91
250 0.24
251 0.34
252 -0.28
253 0.66
254 0.23
265 1.04
266 0.34
267 0.14
268 0.77
269 1.62
270 0.25
271 0.24
272 1.06
273 0.29
274 0.08
275 0.71
276 1.10
277 1.62
278 0.25
279 -0.07
280 -0.09
281 0.28
282 0.14
283 0.34
292 -0.80
293 1.10
294 0.51
295 1.10
296 1.00
297 0.93
298 1.06
299 1.06
300 0.59
301 0.59
302 0.51
303 0.64
304 -0.41
305 -0.41
310 0.17
311 0.23
312 -0.26
313 -0.07
314 -0.74
315 0.23
316 0.93
317 -0.25
318 -2.01
319 1.06
320 1.06
321 0.71
322 -0.46
323 1.04
324 0.25
325 -0.57
326 0.71
327 0.23
328 0.96
329 -0.03
330 0.66
331 0.49
332 1.00
333 0.49
334 0.34
335 -0.68
336 0.04
337 -0.57
338 0.59
339 0.04
340 0.14
341 0.93
342 1.10
343 0.23
344 0.24
345 1.04
346 0.41
347 1.00
348 0.24
349 0.24
350 0.71
351 0.44
352 0.49
353 0.55
354 1.06
355 1.00
356 1.04
357 0.55
358 0.23
359 1.10
364 -0.25
365 1.06
366 0.17
367 1.10
368 -1.63
369 1.04
370 0.25
371 1.62
372 0.14
373 0.28
374 0.77
375 0.29
376 0.08
377 -0.68
378 0.91
379 0.24
380 0.34
381 -0.28
382 0.66
383 0.23
394 1.40
395 0.34
396 0.14
397 0.77
398 1.62
399 0.25
400 0.24
401 1.06
402 0.77
403 0.08
404 0.71
405 1.10
406 1.62
407 0.25
408 -0.07
409 -0.09
410 0.28
411 0.14
412 0.34
421 -0.74
422 1.10
423 0.51
424 1.10
425 1.00
426 0.93
427 1.06
428 1.06
429 0.59
430 0.59
431 0.51
432 0.64
433 -0.41
434 -0.41
439 0.17
440 0.23
441 -0.26
442 -0.07
443 -0.74
444 0.23
445 0.93
446 -0.25
447 -1.13
448 1.06
449 1.06
450 0.71
451 -0.46
452 1.04
453 0.25
454 -0.57
455 0.71
456 0.23
457 0.96
458 -0.03
459 0.66
460 0.49
461 1.00
462 0.49
463 0.34
464 -0.68
465 0.04
466 -0.57
467 0.59
468 0.28
469 0.14
470 0.93
471 1.10
472 0.23
473 0.24
474 1.04
475 0.41
476 1.00
477 0.24
478 0.24
479 0.71
480 0.44
481 0.49
482 0.55
483 1.06
484 1.00
485 1.04
486 0.55
487 0.23
488 1.10
493 0.14
494 1.06
495 0.59
496 1.10
497 -0.94
498 1.04
499 0.25
500 1.62
501 0.14
502 0.28
503 0.77
504 0.29
505 0.08
506 -0.68
507 0.91
508 0.24
509 0.34
510 -0.28
511 0.66
512 0.23
#Reported_Model_Average 0.429
#Overall_Average_Reported 0.429
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
7.000 3
8.000 0
9.000 0
10.000 0
11.000 1
12.000 0
13.000 0
14.000 3
15.000 3
16.000 2
17.000 1
18.000 0
19.000 1
20.000 2
21.000 3
22.000 2
23.000 4
24.000 0
25.000 3
26.000 0
27.000 0
28.000 0
29.000 0
30.000 0
31.000 0
32.000 0
33.000 0
34.000 0
35.000 0
36.000 0
37.000 1
38.000 1
39.000 0
40.000 2
41.000 1
42.000 0
43.000 0
44.000 1
45.000 6
46.000 1
47.000 5
48.000 0
49.000 0
50.000 0
51.000 0
52.000 0
53.000 0
54.000 2
55.000 2
56.000 2
57.000 2
58.000 2
59.000 0
60.000 1
61.000 0
62.000 1
63.000 0
64.000 1
65.000 1
66.000 2
67.000 0
68.000 2
69.000 0
70.000 1
71.000 1
72.000 1
73.000 1
74.000 3
75.000 0
76.000 1
77.000 0
78.000 0
79.000 2
80.000 0
81.000 0
82.000 0
83.000 1
84.000 0
85.000 1
86.000 0
87.000 0
88.000 1
89.000 0
90.000 2
91.000 0
92.000 0
93.000 0
94.000 0
95.000 1
96.000 0
97.000 4
98.000 0
99.000 1
100.000 4
101.000 1
102.000 0
103.000 0
104.000 0
105.000 0
106.000 0
107.000 0
108.000 0
109.000 0
110.000 0
111.000 2
112.000 2
113.000 1
114.000 0
115.000 1
116.000 0
117.000 0
118.000 0
119.000 1
120.000 6
121.000 0
122.000 0
123.000 3
124.000 1
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 4
137.000 0
138.000 0
139.000 0
140.000 1
141.000 0
142.000 1
143.000 2
144.000 2
145.000 2
146.000 2
147.000 0
148.000 1
149.000 2
150.000 6
151.000 2
152.000 4
153.000 0
154.000 3
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 1
167.000 1
168.000 0
169.000 2
170.000 1
171.000 0
172.000 1
173.000 2
174.000 8
175.000 1
176.000 3
177.000 0
178.000 0
179.000 0
180.000 0
181.000 0
182.000 0
183.000 2
184.000 1
185.000 2
186.000 2
187.000 2
188.000 0
189.000 2
190.000 0
191.000 0
192.000 0
193.000 3
194.000 1
195.000 2
196.000 0
197.000 3
198.000 0
199.000 0
200.000 1
201.000 1
202.000 1
203.000 3
204.000 0
205.000 1
206.000 0
207.000 0
208.000 2
209.000 0
210.000 0
211.000 0
212.000 1
213.000 0
214.000 0
215.000 0
216.000 0
217.000 0
218.000 0
219.000 2
220.000 0
221.000 1
222.000 0
223.000 0
224.000 2
225.000 0
226.000 6
227.000 0
228.000 6
229.000 4
230.000 0
231.000 0
232.000 0
233.000 0
234.000 0
235.000 0
236.000 1
237.000 0
238.000 0
239.000 0
240.000 1
241.000 1
242.000 1
243.000 0
244.000 1
245.000 0
246.000 0
247.000 0
248.000 1
249.000 7
250.000 0
251.000 0
252.000 3
253.000 0
254.000 0
255.000 0
256.000 0
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 3
266.000 0
267.000 0
268.000 0
269.000 2
270.000 0
271.000 1
272.000 5
273.000 4
274.000 2
275.000 2
276.000 0
277.000 1
278.000 2
279.000 6
280.000 2
281.000 4
282.000 0
283.000 3
284.000 0
285.000 0
286.000 0
287.000 0
288.000 0
289.000 0
290.000 0
291.000 0
292.000 0
293.000 0
294.000 1
295.000 1
296.000 1
297.000 0
298.000 1
299.000 2
300.000 0
301.000 1
302.000 1
303.000 6
304.000 1
305.000 5
306.000 0
307.000 0
308.000 0
309.000 0
310.000 0
311.000 0
312.000 2
313.000 3
314.000 1
315.000 1
316.000 2
317.000 0
318.000 4
319.000 2
320.000 0
321.000 1
322.000 2
323.000 1
324.000 2
325.000 0
326.000 4
327.000 0
328.000 0
329.000 1
330.000 1
331.000 1
332.000 5
333.000 0
334.000 1
335.000 0
336.000 0
337.000 2
338.000 1
339.000 0
340.000 0
341.000 1
342.000 0
343.000 1
344.000 1
345.000 0
346.000 0
347.000 0
348.000 2
349.000 0
350.000 2
351.000 1
352.000 0
353.000 1
354.000 0
355.000 6
356.000 0
357.000 4
358.000 3
359.000 0
360.000 0
361.000 0
362.000 0
363.000 0
364.000 0
365.000 1
366.000 0
367.000 0
368.000 0
369.000 3
370.000 2
371.000 1
372.000 0
373.000 2
374.000 0
375.000 0
376.000 0
377.000 1
378.000 7
379.000 0
380.000 0
381.000 3
382.000 0
383.000 0
384.000 0
385.000 0
386.000 0
387.000 0
388.000 0
389.000 0
390.000 0
391.000 0
392.000 0
393.000 0
394.000 3
395.000 0
396.000 0
397.000 0
398.000 1
399.000 0
400.000 0
401.000 2
402.000 2
403.000 0
404.000 1
405.000 0
406.000 1
407.000 2
408.000 5
409.000 2
410.000 4
411.000 0
412.000 3
413.000 0
414.000 0
415.000 0
416.000 0
417.000 0
418.000 0
419.000 0
420.000 0
421.000 0
422.000 0
423.000 1
424.000 1
425.000 1
426.000 1
427.000 3
428.000 1
429.000 0
430.000 0
431.000 2
432.000 7
433.000 1
434.000 3
435.000 0
436.000 0
437.000 0
438.000 0
439.000 0
440.000 0
441.000 2
442.000 1
443.000 1
444.000 1
445.000 3
446.000 0
447.000 3
448.000 0
449.000 1
450.000 1
451.000 2
452.000 1
453.000 2
454.000 0
455.000 3
456.000 0
457.000 1
458.000 1
459.000 1
460.000 1
461.000 3
462.000 0
463.000 1
464.000 0
465.000 0
466.000 2
467.000 0
468.000 0
469.000 0
470.000 1
471.000 0
472.000 2
473.000 1
474.000 0
475.000 1
476.000 0
477.000 2
478.000 0
479.000 0
480.000 0
481.000 0
482.000 3
483.000 0
484.000 7
485.000 0
486.000 4
487.000 4
488.000 0
489.000 0
490.000 0
491.000 0
492.000 0
493.000 0
494.000 1
495.000 0
496.000 0
497.000 0
498.000 2
499.000 1
500.000 2
501.000 0
502.000 2
503.000 0
504.000 0
505.000 0
506.000 1
507.000 8
508.000 0
509.000 0
510.000 3
511.000 0
512.000 0
#Reported_Model_Average 0.960
#Overall_Average_Reported 0.960
List of bad contacts calculated by MAGE
/farm/software/bin/probe
: 6490:M 279 PRO 2HG :M 273 LEU 1HD2 : -0.953: 28
: 6490:M 272 LEU 3HD1 :M 332 VAL 1HG1 : -0.847: 26
: 6490:M 312 ASN O :M 316 ILE 1HG1 : -0.776: 35
: 6490:M 332 VAL 2HG1 :M 269 TRP HZ3 : -0.680: 27
: 6490:M 279 PRO 1HG :M 447 GLU 2HG : -0.643: 32
: 6490:M 316 ILE 1HG2 :M 298 LEU 1HD2 : -0.539: 30
: 6490:M 447 GLU OE2 :M 451 GLU OE2 : -0.513: 38
: 6490:M 272 LEU O :M 275 ARG 1HB : -0.503: 27
: 6490:M 272 LEU 3HD1 :M 332 VAL CG1 : -0.500: 26
: 6490:M 332 VAL O :M 279 PRO HA : -0.498: 26
: 6490:M 499 PRO O :M 500 TRP C : -0.487: 35
: 6490:M 453 PRO 2HD :M 452 PHE N : -0.475: 46
: 6490:M 273 LEU 1HD2 :M 279 PRO CG : -0.473: 28
: 6490:M 279 PRO 2HG :M 273 LEU CD2 : -0.458: 28
: 6490:M 313 PRO CD :M 312 ASN N : -0.456: 39
: 6490:M 453 PRO 2HD :M 451 GLU C : -0.455: 46
: 6490:M 447 GLU HA :M 450 ARG NH1 : -0.451: 40
: 6490:M 313 PRO 2HG :M 272 LEU 1HD2 : -0.443: 32
: 6490:M 331 ALA HA :M 278 GLN O : -0.440: 28
: 6490:M 271 ARG O :M 275 ARG 2HG : -0.429: 28
: 6490:M 500 TRP CD1 :M 273 LEU 2HB : -0.429: 27
: 6490:M 279 PRO 2HD :M 278 GLN HA : -0.416: 32
: 6490:M 269 TRP HZ3 :M 332 VAL CG1 : -0.403: 27
: 6490:M 272 LEU 1HD2 :M 313 PRO CG : -0.402: 32
: 6490:M 150 PRO 2HG :M 144 LEU 1HD2 : -0.948: 23
: 6490:M 203 VAL 1HG1 :M 143 LEU 3HD1 : -0.737: 29
: 6490:M 140 TRP HZ3 :M 203 VAL 2HG1 : -0.648: 29
: 6490:M 318 GLU OE2 :M 322 GLU OE2 : -0.555: 35
: 6490:M 150 PRO HA :M 203 VAL O : -0.532: 25
: 6490:M 150 PRO 2HG :M 144 LEU CD2 : -0.501: 23
: 6490:M 150 PRO 1HG :M 318 GLU CG : -0.483: 27
: 6490:M 318 GLU HA :M 321 ARG NH1 : -0.470: 38
: 6490:M 202 ALA HA :M 149 GLN O : -0.469: 28
: 6490:M 143 LEU O :M 146 ARG 1HB : -0.467: 26
: 6490:M 150 PRO 1HG :M 318 GLU 2HG : -0.459: 27
: 6490:M 323 PHE N :M 324 PRO 2HD : -0.458: 46
: 6490:M 322 GLU C :M 324 PRO 2HD : -0.453: 46
: 6490:M 150 PRO 2HD :M 149 GLN HA : -0.443: 31
: 6490:M 142 ARG O :M 146 ARG 2HG : -0.406: 28
: 6490:M 21 PRO 2HG :M 15 LEU 1HD2 : -0.877: 23
: 6490:M 54 ASN O :M 58 ILE 1HG1 : -0.807: 35
: 6490:M 14 LEU 3HD1 :M 74 VAL 1HG1 : -0.799: 32
: 6490:M 74 VAL 2HG1 :M 11 TRP HZ3 : -0.657: 32
: 6490:M 58 ILE 1HG2 :M 40 LEU 1HD2 : -0.590: 31
: 6490:M 95 THR 3HG2 :M 40 LEU 3HD2 : -0.525: 24
: 6490:M 21 PRO HA :M 74 VAL O : -0.502: 26
: 6490:M 73 ALA HA :M 20 GLN O : -0.492: 28
: 6490:M 54 ASN N :M 55 PRO CD : -0.470: 38
: 6490:M 20 GLN HA :M 21 PRO 2HD : -0.459: 31
: 6490:M 55 PRO 2HG :M 14 LEU 1HD2 : -0.423: 31
: 6490:M 14 LEU O :M 17 ARG 1HB : -0.419: 24
: 6490:M 15 LEU 3HD2 :M 15 LEU HA : -0.409: 24
: 6490:M 408 PRO 2HG :M 402 LEU 1HD2 : -0.851: 28
: 6490:M 461 VAL 1HG1 :M 401 LEU 3HD1 : -0.787: 29
: 6490:M 461 VAL 2HG1 :M 398 TRP HZ3 : -0.704: 29
: 6490:M 408 PRO 1HG :M 60 GLU 2HG : -0.522: 28
: 6490:M 461 VAL O :M 408 PRO HA : -0.519: 29
: 6490:M 404 ARG 1HB :M 401 LEU O : -0.473: 27
: 6490:M 408 PRO 2HG :M 402 LEU CD2 : -0.462: 28
: 6490:M 407 GLN HA :M 408 PRO 2HD : -0.456: 33
: 6490:M 460 ALA HA :M 407 GLN O : -0.447: 30
: 6490:M 445 ILE 1HG1 :M 441 ASN O : -0.846: 36
: 6490:M 445 ILE 1HG2 :M 427 LEU 1HD2 : -0.662: 30
: 6490:M 427 LEU 3HD2 :M 482 THR 3HG2 : -0.549: 26
: 6490:M 441 ASN N :M 442 PRO CD : -0.487: 39
: 6490:M 482 THR HB :M 494 LEU 1HB : -0.467: 26
: 6490:M 427 LEU 2HD2 :M 445 ILE 2HG1 : -0.428: 30
: 6490:M 482 THR HA :M 426 ILE O : -0.416: 24
: 6490:M 303 PRO C :M 305 ARG H : -0.774: 59
: 6490:M 303 PRO 1HG :M 265 PHE HA : -0.619: 49
: 6490:M 303 PRO C :M 305 ARG N : -0.560: 59
: 6490:M 303 PRO O :M 305 ARG N : -0.558: 59
: 6490:M 265 PHE CA :M 303 PRO 1HG : -0.482: 49
: 6490:M 305 ARG HA :M 305 ARG 1HD : -0.442: 69
: 6490:M 265 PHE 1HB :M 303 PRO CD : -0.426: 47
: 6490:M 432 PRO C :M 434 ARG H : -0.763: 59
: 6490:M 433 ARG 1HD :M 431 ASP OD2 : -0.640: 57
: 6490:M 432 PRO 1HG :M 394 PHE HA : -0.610: 49
: 6490:M 432 PRO O :M 434 ARG N : -0.579: 59
: 6490:M 432 PRO C :M 434 ARG N : -0.561: 59
: 6490:M 394 PHE CA :M 432 PRO 1HG : -0.507: 49
: 6490:M 432 PRO 2HD :M 431 ASP HA : -0.441: 49
: 6490:M 394 PHE 1HB :M 432 PRO CD : -0.412: 49
: 6490:M 183 ASN O :M 187 ILE 1HG1 : -0.751: 34
: 6490:M 187 ILE 1HG2 :M 169 LEU 1HD2 : -0.582: 29
: 6490:M 169 LEU 3HD2 :M 224 THR 3HG2 : -0.494: 24
: 6490:M 183 ASN N :M 184 PRO CD : -0.453: 37
: 6490:M 236 LEU 1HB :M 224 THR HB : -0.430: 24
: 6490:M 25 SER H :M 23 GLU C : -0.747: 32
: 6490:M 23 GLU HA :M 79 GLN 2HG : -0.702: 29
: 6490:M 23 GLU O :M 25 SER N : -0.563: 32
: 6490:M 23 GLU C :M 25 SER N : -0.559: 32
: 6490:M 76 ASP OD1 :M 79 GLN 1HG : -0.405: 28
: 6490:M 100 ASP OD1 :M 100 ASP O : -0.744: 52
: 6490:M 100 ASP OD1 :M 100 ASP C : -0.574: 52
: 6490:M 154 SER H :M 152 GLU C : -0.743: 32
: 6490:M 152 GLU HA :M 208 GLN 2HG : -0.567: 29
: 6490:M 154 SER N :M 152 GLU O : -0.555: 32
: 6490:M 152 GLU C :M 154 SER N : -0.514: 32
: 6490:M 208 GLN 1HG :M 205 ASP OD1 : -0.488: 28
: 6490:M 228 THR 1HG2 :M 197 PHE CE2 : -0.735: 48
: 6490:M 228 THR 3HG2 :M 165 ASP OD1 : -0.658: 48
: 6490:M 229 ASP OD1 :M 229 ASP O : -0.646: 54
: 6490:M 229 ASP 2HB :M 228 THR O : -0.487: 51
: 6490:M 228 THR 1HG2 :M 197 PHE HE2 : -0.460: 48
: 6490:M 197 PHE CE2 :M 228 THR CG2 : -0.421: 48
: 6490:M 228 THR O :M 229 ASP CB : -0.400: 51
: 6490:M 412 SER H :M 410 GLU C : -0.732: 34
: 6490:M 410 GLU HA :M 466 GLN 2HG : -0.691: 33
: 6490:M 410 GLU C :M 412 SER N : -0.521: 34
: 6490:M 410 GLU O :M 412 SER N : -0.484: 36
: 6490:M 463 ASP OD1 :M 466 GLN 1HG : -0.452: 33
: 6490:M 46 ARG 1HD :M 44 ASP OD2 : -0.725: 53
: 6490:M 174 PRO C :M 176 ARG H : -0.718: 59
: 6490:M 175 ARG 1HD :M 173 ASP OD2 : -0.665: 56
: 6490:M 174 PRO 1HG :M 136 PHE HA : -0.608: 46
: 6490:M 174 PRO C :M 176 ARG N : -0.508: 59
: 6490:M 174 PRO O :M 176 ARG N : -0.497: 59
: 6490:M 136 PHE CA :M 174 PRO 1HG : -0.488: 46
: 6490:M 136 PHE 1HB :M 174 PRO 1HD : -0.477: 45
: 6490:M 136 PHE 1HB :M 174 PRO CD : -0.444: 45
: 6490:M 174 PRO 2HD :M 173 ASP HA : -0.437: 45
: 6490:M 283 SER H :M 281 GLU C : -0.710: 33
: 6490:M 357 THR 1HG2 :M 326 PHE CE2 : -0.710: 49
: 6490:M 281 GLU HA :M 337 GLN 2HG : -0.682: 30
: 6490:M 358 ASP O :M 358 ASP OD1 : -0.642: 55
: 6490:M 294 ASP OD1 :M 357 THR 3HG2 : -0.628: 49
: 6490:M 281 GLU C :M 283 SER N : -0.528: 33
: 6490:M 281 GLU O :M 283 SER N : -0.517: 33
: 6490:M 357 THR O :M 358 ASP 2HB : -0.469: 54
: 6490:M 357 THR 1HG2 :M 326 PHE HE2 : -0.462: 49
: 6490:M 334 ASP OD1 :M 337 GLN 1HG : -0.456: 31
: 6490:M 326 PHE CD1 :M 326 PHE N : -0.401: 42
: 6490:M 355 VAL 1HG1 :M 378 MET CE : -0.689: 55
: 6490:M 355 VAL 1HG1 :M 378 MET 1HE : -0.620: 55
: 6490:M 355 VAL HA :M 296 VAL 3HG2 : -0.557: 35
: 6490:M 377 LEU O :M 381 ILE 2HG1 : -0.520: 43
: 6490:M 378 MET 1HE :M 355 VAL 1HG2 : -0.479: 55
: 6490:M 381 ILE HB :M 378 MET 3HE : -0.474: 55
: 6490:M 378 MET SD :M 355 VAL 1HG2 : -0.469: 58
: 6490:M 381 ILE HB :M 378 MET CE : -0.439: 55
: 6490:M 378 MET CE :M 355 VAL 1HG2 : -0.418: 55
: 6490:M 304 ARG 1HD :M 302 ASP OD2 : -0.686: 57
: 6490:M 240 HIS 2HB :M 244 GLU 2HB : -0.684: 29
: 6490:M 115 GLU 2HB :M 111 HIS 2HB : -0.678: 30
: 6490:M 113 TRP C :M 112 PRO O : -0.473: 31
: 6490:M 112 PRO 2HD :M 111 HIS HA : -0.415: 31
: 6490:M 45 PRO C :M 47 ARG H : -0.674: 59
: 6490:M 373 GLU 2HB :M 369 HIS 2HB : -0.674: 32
: 6490:M 45 PRO 1HG :M 7 PHE HA : -0.631: 48
: 6490:M 45 PRO 1HG :M 7 PHE CA : -0.495: 48
: 6490:M 371 TRP C :M 370 PRO O : -0.483: 33
: 6490:M 45 PRO C :M 47 ARG N : -0.480: 59
: 6490:M 45 PRO 1HD :M 7 PHE 1HB : -0.450: 47
: 6490:M 373 GLU OE2 :M 369 HIS HD2 : -0.445: 29
: 6490:M 45 PRO O :M 47 ARG N : -0.443: 59
: 6490:M 47 ARG HA :M 47 ARG 1HD : -0.432: 69
: 6490:M 370 PRO 2HD :M 369 HIS HA : -0.400: 32
: 6490:M 71 GLN H :M 37 GLY 1HA : -0.662: 34
: 6490:M 201 VAL HB :M 148 TRP CD1 : -0.660: 35
: 6490:M 498 HIS 2HB :M 502 GLU 2HB : -0.657: 32
: 6490:M 498 HIS HD2 :M 502 GLU OE2 : -0.472: 29
: 6490:M 330 VAL HB :M 277 TRP CD1 : -0.651: 35
: 6490:M 507 MET CE :M 484 VAL 1HG1 : -0.648: 55
: 6490:M 484 VAL HA :M 425 VAL 3HG2 : -0.607: 38
: 6490:M 507 MET 1HE :M 484 VAL 1HG2 : -0.561: 55
: 6490:M 506 LEU O :M 510 ILE 2HG1 : -0.522: 44
: 6490:M 507 MET CE :M 484 VAL 1HG2 : -0.503: 55
: 6490:M 507 MET 1HE :M 484 VAL 1HG1 : -0.471: 55
: 6490:M 507 MET SD :M 484 VAL 1HG2 : -0.468: 57
: 6490:M 507 MET CE :M 510 ILE HB : -0.459: 55
: 6490:M 510 ILE HB :M 507 MET 3HE : -0.432: 55
: 6490:M 484 VAL 1HG1 :M 507 MET 2HE : -0.425: 55
: 6490:M 295 GLY 1HA :M 329 GLN H : -0.647: 34
: 6490:M 487 ASP OD1 :M 487 ASP O : -0.642: 54
: 6490:M 455 PHE CE2 :M 486 THR 1HG2 : -0.641: 50
: 6490:M 486 THR 3HG2 :M 423 ASP OD1 : -0.584: 52
: 6490:M 486 THR O :M 487 ASP 2HB : -0.485: 56
: 6490:M 455 PHE CD1 :M 455 PHE N : -0.430: 43
: 6490:M 486 THR O :M 487 ASP CB : -0.408: 56
: 6490:M 459 VAL HB :M 406 TRP CD1 : -0.624: 34
: 6490:M 424 GLY 1HA :M 458 GLN H : -0.617: 38
: 6490:M 19 TRP CD1 :M 72 VAL HB : -0.611: 33
: 6490:M 166 GLY 1HA :M 200 GLN H : -0.589: 34
: 6490:M 226 VAL 1HG1 :M 249 MET CE : -0.587: 45
: 6490:M 167 VAL 3HG2 :M 226 VAL HA : -0.564: 33
: 6490:M 226 VAL 1HG2 :M 249 MET 1HE : -0.533: 45
: 6490:M 249 MET SD :M 226 VAL 1HG2 : -0.500: 43
: 6490:M 226 VAL 1HG2 :M 249 MET CE : -0.472: 45
: 6490:M 248 LEU O :M 252 ILE 2HG1 : -0.471: 38
: 6490:M 252 ILE HB :M 249 MET 3HE : -0.467: 45
: 6490:M 226 VAL 1HG1 :M 249 MET 1HE : -0.452: 45
: 6490:M 249 MET CE :M 252 ILE HB : -0.442: 45
: 6490:M 38 VAL 3HG2 :M 97 VAL HA : -0.573: 34
: 6490:M 120 MET CE :M 97 VAL 1HG1 : -0.560: 48
: 6490:M 97 VAL 1HG2 :M 120 MET SD : -0.543: 46
: 6490:M 123 ILE HB :M 120 MET CE : -0.487: 48
: 6490:M 119 LEU O :M 123 ILE 2HG1 : -0.477: 38
: 6490:M 120 MET 3HE :M 124 VAL 3HG2 : -0.450: 48
: 6490:M 123 ILE HB :M 120 MET 3HE : -0.419: 48
: 6490:M 97 VAL 1HG1 :M 120 MET 1HE : -0.403: 48
: 6490:M 409 VAL O :M 409 VAL 3HG2 : -0.544: 30
: 6490:M 185 VAL 3HG2 :M 186 MET N : -0.543: 33
: 6490:M 185 VAL CG2 :M 186 MET N : -0.415: 33
: 6490:M 56 VAL 3HG2 :M 57 MET N : -0.535: 33
: 6490:M 57 MET N :M 56 VAL CG2 : -0.418: 33
: 6490:M 470 ILE CG2 :M 428 LEU 1HD2 : -0.533: 26
: 6490:M 280 VAL O :M 280 VAL 3HG2 : -0.512: 27
: 6490:M 99 THR C :M 101 GLY H : -0.497: 51
: 6490:M 315 MET N :M 314 VAL 3HG2 : -0.497: 34
: 6490:M 241 PRO O :M 242 TRP C : -0.487: 31
: 6490:M 151 VAL O :M 151 VAL 3HG2 : -0.480: 25
: 6490:M 195 PRO 2HD :M 194 PHE N : -0.478: 43
: 6490:M 189 GLU O :M 193 GLU 2HG : -0.439: 36
: 6490:M 195 PRO 2HD :M 193 GLU C : -0.436: 43
: 6490:M 189 GLU OE2 :M 193 GLU OE2 : -0.406: 35
: 6490:M 65 PHE N :M 66 PRO 2HD : -0.473: 43
: 6490:M 64 GLU C :M 66 PRO 2HD : -0.429: 43
: 6490:M 443 VAL 3HG2 :M 444 MET N : -0.470: 35
: 6490:M 301 SER 2HB :M 350 PHE CB : -0.460: 34
: 6490:M 350 PHE HA :M 351 PRO C : -0.400: 27
: 6490:M 41 LEU 1HD2 :M 83 ILE CG2 : -0.454: 27
: 6490:M 22 VAL O :M 22 VAL 3HG2 : -0.454: 28
: 6490:M 16 THR O :M 16 THR 2HG2 : -0.452: 24
: 6490:M 221 PHE CB :M 172 SER 2HB : -0.450: 33
: 6490:M 219 ARG 2HD :M 219 ARG N : -0.443: 61
: 6490:M 68 PHE CD1 :M 68 PHE N : -0.440: 43
: 6490:M 348 ARG 2HD :M 348 ARG N : -0.435: 61
: 6490:M 319 LEU 3HD2 :M 319 LEU HA : -0.425: 31
: 6490:M 343 ASP O :M 344 ARG C : -0.423: 36
: 6490:M 299 LEU 2HD2 :M 338 SER HA : -0.416: 33
: 6490:M 341 ILE CG2 :M 299 LEU 1HD2 : -0.413: 26
: 6490:M 145 THR 2HG2 :M 145 THR O : -0.414: 25
: 6490:M 472 ASP O :M 473 ARG C : -0.413: 37
: 6490:M 477 ARG 2HD :M 477 ARG N : -0.413: 62
: 6490:M 472 ASP O :M 475 ASN N : -0.412: 37
: 6490:M 449 LEU 2HD2 :M 457 TRP CG : -0.412: 37
: 6490:M 90 ARG N :M 90 ARG 2HD : -0.411: 61
: 6490:M 70 TRP CG :M 62 LEU 2HD2 : -0.405: 33
: 6490:M 170 LEU 1HD2 :M 212 ILE CG2 : -0.404: 25
: 6490:M 85 ASP O :M 88 ASN N : -0.402: 38
: 6490:M 365 LEU 1HB :M 353 THR HB : -0.401: 23
: 6490:M 274 THR 2HG2 :M 274 THR O : -0.400: 28
#sum2 ::37.44 clashscore : 29.35 clashscore B<40
#summary::6490 atoms:4906 atoms B<40:729323 potential dots:45580.0 A^2:243 bumps:144 bumps B<40:1037 score
Output from PDB validation software
Summary from PDB validation
May. 11, 02:30:35 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 0.016 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
------------------------------------------------------------------------
-0.123 PHE A 98 CA - C 1.402 1.525
-0.127 THR A 99 N - CA 1.331 1.458
-0.417 THR A 99 C - N 0.912 1.329
-0.487 ASP A 100 C - N 0.842 1.329
0.112 THR C 99 C - N 1.441 1.329
0.152 THR D 99 C - N 1.481 1.329
*** Covalent Angle Values:
The RMS deviation for covalent angles relative to the standard
dictionary is 2.4 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
--------------------------------------------------------------------------------
19.4 PHE A 98 CA - C - N 135.6 116.2
-18.3 PHE A 98 O - C - N 104.7 123.0
-112.6 THR A 99 O - C - N 10.4 123.0
37.6 ASP A 100 C - N - CA 159.3 121.7
-14.9 GLY A 101 N - CA - C 97.6 112.5
-18.0 THR B 99 CA - C - N 98.2 116.2
-17.9 THR C 99 CA - C - N 98.3 116.2
-18.0 THR D 99 CA - C - N 98.2 116.2
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 (A SER 25 ) and Residue (A VAL 34 ) are not linked
Distance of C-N bond is 10.36
SEQUENCE WARNING: Residue (A ARG 47 ) and Residue (A SER 52 ) are not linked
Distance of C-N bond is 6.25
SEQUENCE WARNING: Residue (A GLY 101 ) and Residue (A ALA 106 ) are not linked
Distance of C-N bond is 10.39
SEQUENCE WARNING: Residue (B SER 25 ) and Residue (B VAL 34 ) are not linked
Distance of C-N bond is 10.37
SEQUENCE WARNING: Residue (B ARG 47 ) and Residue (B SER 52 ) are not linked
Distance of C-N bond is 6.20
SEQUENCE WARNING: Residue (B GLY 101 ) and Residue (B ALA 106 ) are not linked
Distance of C-N bond is 10.39
SEQUENCE WARNING: Residue (C SER 25 ) and Residue (C VAL 34 ) are not linked
Distance of C-N bond is 10.38
SEQUENCE WARNING: Residue (C ARG 47 ) and Residue (C SER 52 ) are not linked
Distance of C-N bond is 6.20
SEQUENCE WARNING: Residue (C GLY 101 ) and Residue (C ALA 106 ) are not linked
Distance of C-N bond is 10.49
SEQUENCE WARNING: Residue (D SER 25 ) and Residue (D VAL 34 ) are not linked
Distance of C-N bond is 10.37
SEQUENCE WARNING: Residue (D ARG 47 ) and Residue (D SER 52 ) are not linked
Distance of C-N bond is 6.17
SEQUENCE WARNING: Residue (D GLY 101 ) and Residue (D ALA 106 ) are not linked
Distance of C-N bond is 10.48