Detailed results of OR8C_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 >>>----------+
| |
| OR8C_XRay_em_bcr3_noHs_000.rin 0.0 361 residues |
| |
| Ramachandran plot: 92.1% core 7.9% allow 0.0% gener 0.0% disall |
| |
+| All Ramachandrans: 2 labelled residues (out of 353) |
+| Chi1-chi2 plots: 1 labelled residues (out of 237) |
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
JPEG for all model Residue Properties - page $num_n
JPEG for all model Residue Properties - page $num_n
JPEG for all model Residue Properties - page $num_n
JPEG for all model Residue Properties - page $num_n
JPEG for all model Residue Properties - page $num_n
Model Secondary Structures from Procheck
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
Ramachandran Plots for each residue
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
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JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
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JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
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
86 -2.35
87 -0.49
88 -0.68
89 0.62
90 0.28
91 -2.15
92 0.93
93 -0.59
94 -0.16
95 0.71
96 0.87
97 0.86
98 0.65
99 0.04
100 -0.59
101 -0.63
102 -0.91
103 0.11
104 -0.32
105 0.84
106 -2.23
107 0.37
108 -0.31
109 -0.63
110 -0.31
111 -0.38
112 -1.69
113 -0.18
114 -2.40
115 -0.47
116 0.06
117 0.49
118 -0.10
119 -2.29
120 0.08
121 -0.08
122 -0.30
123 -0.50
124 -0.52
125 -0.54
126 -0.50
127 -0.07
128 -0.23
129 -0.49
130 -0.16
131 -0.32
132 -0.44
133 -0.69
134 -0.12
135 -0.51
136 -0.01
137 -2.29
138 -1.82
139 -0.62
140 -0.40
141 -0.65
142 -2.81
143 0.01
144 -0.15
145 -1.54
146 -2.70
147 -0.36
148 -0.07
149 -1.06
150 0.12
151 -0.61
152 0.44
153 -0.49
154 1.11
155 -0.39
156 -0.09
157 -2.03
158 -0.46
159 -1.21
160 0.02
161 0.20
162 0.42
163 -0.22
164 -1.64
165 -0.30
166 0.10
167 -5.13
168 -2.97
169 0.11
170 -0.41
171 -0.39
172 0.82
173 1.32
174 0.98
175 1.22
176 0.96
177 0.99
178 1.01
179 0.98
180 0.56
181 0.99
182 1.01
183 1.25
184 0.73
185 0.99
186 0.68
187 1.26
188 -0.46
189 -0.62
190 -0.44
191 0.02
192 0.31
193 -0.26
194 -0.10
195 -0.73
196 0.95
197 0.94
198 1.13
199 1.04
200 1.14
201 -0.56
202 -3.46
215 -0.22
216 0.11
217 -0.19
218 -0.14
219 0.28
220 -2.15
221 0.99
222 -0.47
223 -0.16
224 0.71
225 0.87
226 0.86
227 0.84
228 -0.25
229 -0.81
230 -0.45
231 -0.52
232 0.09
233 -0.49
234 0.84
235 -2.23
236 -0.23
237 -0.61
238 -0.63
239 -0.20
240 -0.03
241 -1.69
242 -0.18
243 -2.40
244 -0.47
245 -0.17
246 0.52
247 -0.10
248 -2.06
249 0.11
250 -0.08
251 -0.30
252 -0.50
253 -1.17
254 -0.89
255 -0.45
256 -0.03
257 0.26
258 -0.49
259 -0.16
260 -0.28
261 -0.55
262 -0.69
263 -0.76
264 -0.68
265 -0.06
266 -0.94
267 -2.54
268 -0.89
269 -0.10
270 -0.50
271 -2.26
272 -0.09
273 -0.20
274 -1.81
275 -1.74
276 -0.36
277 -0.07
278 -1.06
279 0.12
280 -0.61
281 0.44
282 -0.59
283 0.77
284 -0.68
285 -0.09
286 -1.46
287 -0.46
288 -1.21
289 0.29
290 0.29
291 0.37
292 -0.16
293 -0.58
294 -1.90
295 0.09
296 -0.12
297 -0.54
298 -0.67
299 -0.17
300 -0.91
301 0.82
302 0.99
303 0.98
304 1.22
305 0.96
306 0.99
307 1.01
308 1.25
309 1.05
310 0.99
311 1.01
312 1.25
313 0.73
314 0.99
315 0.87
316 0.73
317 -0.46
318 -0.54
319 -0.44
320 0.02
321 0.53
322 -0.39
323 0.08
324 -0.29
325 0.71
326 1.24
327 1.13
328 1.23
329 0.63
330 -0.51
331 -0.83
344 -0.38
345 -0.21
346 -0.32
347 -0.37
348 0.75
349 -0.09
350 -0.97
351 -0.48
352 -0.25
353 0.04
354 -0.78
355 -0.48
356 0.95
357 1.43
358 1.26
359 0.50
360 -0.88
361 0.53
362 -1.07
363 -0.25
364 -1.02
365 0.06
366 -0.45
367 0.23
368 -0.56
369 -0.41
370 0.44
371 -0.56
372 -0.16
373 -1.62
374 -0.65
375 -1.44
376 -0.59
377 -1.98
378 0.00
379 -1.38
380 -0.31
381 -0.74
382 -0.34
383 -0.17
384 1.09
385 0.80
386 0.89
387 0.50
388 0.07
389 -0.81
390 0.93
391 -1.85
392 -0.48
393 0.45
394 -0.25
395 0.17
396 -1.64
397 -0.28
398 -1.49
399 -0.53
400 -0.50
401 -1.28
402 0.16
403 -0.14
404 -1.97
417 0.11
418 -0.37
419 1.19
420 -0.22
421 -0.35
422 -0.34
423 -0.60
424 0.31
425 -0.62
426 -0.48
427 0.95
428 1.43
429 1.26
430 0.50
431 -0.42
432 0.81
433 -0.92
434 0.19
435 -1.22
436 -0.24
437 -0.12
438 0.30
439 -0.21
440 -0.45
441 -0.21
442 -0.56
443 -0.50
444 -1.95
445 -1.23
446 -0.83
447 -0.73
448 -0.17
449 -0.10
450 -1.51
451 -0.45
452 -0.02
453 -0.34
454 -0.17
455 1.09
456 0.80
457 1.22
458 0.50
459 0.07
460 -0.81
461 0.36
462 -1.21
463 -0.34
464 0.43
465 -0.03
466 0.49
467 -1.69
468 -0.28
469 -2.54
470 -0.53
471 -0.50
472 -1.49
473 -0.91
474 -1.31
#Reported_Model_Average -0.243
#Overall_Average_Reported -0.243
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
85 0.00
86 -2.35
87 -0.26
88 0.16
89 0.49
90 0.13
91 -0.93
92 1.10
93 0.13
94 -0.52
95 0.66
96 -0.29
97 1.04
98 0.49
99 -0.34
100 -0.06
101 -0.02
102 -0.78
103 -0.41
104 -0.04
105 0.69
106 -0.57
107 0.37
108 -0.30
109 -0.25
110 0.26
111 0.27
112 -0.82
113 -0.18
114 -2.40
115 0.20
116 0.10
117 0.45
118 0.15
119 -1.46
120 0.24
121 0.18
122 -0.30
123 -0.26
124 -0.08
125 -0.24
126 0.33
127 0.63
128 -0.12
129 -0.39
130 -0.11
131 0.43
132 -0.44
133 -0.89
134 -0.24
135 -0.27
136 -0.28
137 -1.57
138 -1.43
139 -0.58
140 -0.32
141 -0.98
142 -1.19
143 0.49
144 0.20
145 -0.83
146 -1.19
147 -0.79
148 0.34
149 -1.06
150 0.33
151 -0.16
152 0.85
153 -0.48
154 1.11
155 -0.39
156 0.37
157 -1.03
158 -0.46
159 -0.94
160 0.46
161 0.77
162 0.42
163 0.35
164 -1.64
165 -0.51
166 -1.23
167 -5.13
168 -2.97
169 -0.81
170 0.11
171 -0.51
172 0.03
173 1.14
174 0.83
175 0.98
176 0.83
177 0.99
178 0.78
179 0.98
180 0.65
181 0.76
182 0.78
183 1.25
184 0.73
185 0.95
186 0.78
187 -0.11
188 -0.42
189 -0.06
190 0.29
191 -0.43
192 0.56
193 0.33
194 -0.59
195 -0.04
196 1.12
197 0.96
198 0.59
199 1.11
200 0.87
201 0.07
202 -3.46
203 -0.14
214 0.00
215 -0.22
216 0.66
217 -0.33
218 0.35
219 0.08
220 -0.93
221 1.06
222 0.31
223 -0.52
224 0.66
225 -0.29
226 0.99
227 0.30
228 0.31
229 -0.04
230 0.12
231 -0.59
232 0.33
233 0.17
234 0.69
235 -0.67
236 -0.23
237 -0.47
238 -0.09
239 0.09
240 0.45
241 -0.57
242 -0.18
243 -2.40
244 0.03
245 -0.02
246 0.29
247 0.54
248 -1.55
249 0.25
250 0.30
251 -0.30
252 -0.54
253 -0.38
254 -0.46
255 0.36
256 0.65
257 0.03
258 -0.39
259 -0.11
260 0.51
261 -0.55
262 -0.89
263 -0.56
264 -0.01
265 -0.15
266 -0.85
267 -1.74
268 -0.47
269 0.30
270 -0.90
271 -1.28
272 0.34
273 0.10
274 -0.47
275 -0.59
276 -0.79
277 0.25
278 -1.06
279 0.34
280 -0.28
281 0.66
282 -1.72
283 0.77
284 -0.68
285 0.37
286 -1.27
287 -0.46
288 -1.66
289 0.58
290 0.33
291 0.37
292 0.38
293 -0.58
294 -0.62
295 -0.19
296 -0.12
297 -0.54
298 -0.45
299 -0.52
300 -0.77
301 -1.01
302 0.73
303 0.98
304 0.96
305 1.09
306 0.99
307 0.61
308 1.25
309 0.98
310 0.67
311 0.61
312 1.25
313 0.73
314 0.95
315 1.07
316 -1.33
317 -0.46
318 -0.02
319 0.29
320 0.25
321 0.41
322 0.18
323 0.33
324 -0.16
325 0.78
326 0.94
327 0.24
328 1.11
329 0.67
330 -0.09
331 -0.83
332 -0.50
343 -0.56
344 -1.20
345 -0.12
346 0.27
347 0.22
348 0.70
349 -0.09
350 -0.61
351 0.41
352 -0.27
353 -0.52
354 0.10
355 0.40
356 0.55
357 0.47
358 0.42
359 0.56
360 -0.14
361 0.53
362 -0.23
363 -0.06
364 -0.51
365 0.61
366 -0.45
367 0.74
368 -0.55
369 -0.14
370 0.52
371 -0.04
372 0.07
373 -1.56
374 -0.19
375 -0.65
376 -0.41
377 -1.10
378 0.49
379 -0.12
380 0.25
381 -0.39
382 0.23
383 -0.02
384 0.41
385 0.81
386 0.30
387 -0.11
388 0.04
389 -0.13
390 0.93
391 -1.26
392 -0.18
393 0.21
394 -0.05
395 0.73
396 -1.05
397 -0.08
398 -1.49
399 0.19
400 0.02
401 -0.61
402 0.52
403 0.16
404 -1.97
405 0.82
416 1.34
417 0.37
418 0.23
419 0.58
420 -0.22
421 -0.34
422 0.41
423 -0.27
424 0.03
425 -0.02
426 0.19
427 0.55
428 0.13
429 0.92
430 0.71
431 0.08
432 0.81
433 -0.03
434 0.16
435 -0.50
436 0.53
437 -0.12
438 0.74
439 -0.57
440 -0.16
441 -0.48
442 0.18
443 0.21
444 -1.98
445 -0.85
446 -0.20
447 -0.48
448 -0.19
449 0.19
450 -0.17
451 -0.01
452 -0.37
453 0.10
454 -0.02
455 0.83
456 0.81
457 0.47
458 0.44
459 0.07
460 -0.33
461 0.36
462 -0.77
463 -0.11
464 -0.14
465 0.09
466 0.82
467 -1.01
468 -0.08
469 -2.54
470 0.19
471 -0.64
472 -0.72
473 -0.76
474 -1.30
475 0.00
#Reported_Model_Average -0.069
#Overall_Average_Reported -0.069
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
85 0.25
86 0.14
87 0.17
88 0.24
89 -0.43
90 0.81
91 0.08
92 0.34
93 0.91
94 0.08
95 -1.63
96 0.28
97 -0.46
98 -0.33
99 0.34
100 0.71
101 0.23
102 1.62
103 1.04
104 0.23
105 1.06
106 1.00
107 0.64
108 0.08
109 0.25
110 0.08
111 -0.74
112 -0.59
113 1.10
114 0.64
115 0.77
116 1.29
117 0.93
118 0.71
119 0.93
120 0.34
121 -0.87
122 0.49
123 0.81
124 0.23
125 0.51
126 0.08
127 0.51
128 0.93
129 0.23
130 1.06
131 0.08
132 0.49
133 -0.26
134 1.40
135 0.59
136 0.66
137 -0.94
138 -1.63
139 0.23
140 0.24
141 1.06
142 0.28
143 0.08
144 1.06
145 -0.94
146 0.77
147 1.06
148 0.71
149 0.49
150 1.04
151 0.55
152 0.28
153 0.28
154 1.10
155 -0.25
156 0.81
157 1.00
158 1.10
159 -0.46
160 0.93
161 0.59
162 0.44
163 0.29
164 0.25
165 0.34
166 -0.84
167 0.25
168 1.10
169 0.54
170 0.08
171 -0.54
172 0.04
173 0.34
174 1.00
175 0.47
176 0.41
177 0.49
178 0.93
179 1.10
180 -0.09
181 1.06
182 0.81
183 1.10
184 1.10
185 1.06
186 0.28
187 1.62
188 0.09
189 0.34
190 -2.61
191 0.08
192 1.00
193 0.24
194 1.00
195 0.17
196 -0.10
197 0.08
198 1.06
199 0.25
200 0.24
201 1.04
202 0.49
203 1.12
214 0.25
215 0.14
216 0.17
217 0.24
218 -0.43
219 0.81
220 0.08
221 0.34
222 0.91
223 0.08
224 -1.63
225 0.28
226 -0.46
227 -0.33
228 0.34
229 0.71
230 0.23
231 1.12
232 1.04
233 0.23
234 1.06
235 1.00
236 0.44
237 0.08
238 0.25
239 0.08
240 -0.74
241 -0.59
242 1.10
243 -0.07
244 1.06
245 1.29
246 0.93
247 0.71
248 0.93
249 0.34
250 -0.87
251 0.49
252 -0.54
253 0.23
254 0.51
255 0.08
256 0.51
257 0.93
258 0.23
259 1.06
260 0.08
261 0.49
262 -0.56
263 1.40
264 0.59
265 0.66
266 -0.94
267 -0.84
268 0.23
269 0.24
270 1.06
271 0.28
272 0.08
273 1.06
274 -0.94
275 0.77
276 1.06
277 0.71
278 0.49
279 1.04
280 0.55
281 0.28
282 0.04
283 1.10
284 -0.25
285 0.81
286 1.00
287 1.10
288 -0.46
289 0.93
290 0.59
291 0.44
292 0.29
293 0.25
294 0.34
295 -0.84
296 0.25
297 1.10
298 0.54
299 0.08
300 0.81
301 0.28
302 0.34
303 1.00
304 0.08
305 0.41
306 0.49
307 0.93
308 1.10
309 0.66
310 1.06
311 0.81
312 1.10
313 1.10
314 1.06
315 0.28
316 1.62
317 0.09
318 0.34
319 -0.56
320 0.08
321 1.00
322 0.24
323 -0.09
324 0.59
325 -0.10
326 0.55
327 1.06
328 0.25
329 0.24
330 1.04
331 0.49
332 1.12
343 -0.41
344 0.20
345 0.34
346 -0.41
347 -0.83
348 0.34
349 1.10
350 0.28
351 0.47
352 0.08
353 -0.09
354 0.66
355 1.29
356 0.08
357 0.20
358 1.12
359 1.06
360 -0.44
361 1.10
362 -0.68
363 1.29
364 -0.10
365 0.47
366 1.10
367 0.23
368 -0.03
369 1.29
370 0.04
371 -0.84
372 -0.68
373 0.54
374 0.04
375 1.14
376 0.51
377 -0.83
378 0.08
379 0.08
380 0.91
381 0.59
382 0.28
383 1.29
384 1.14
385 1.40
386 1.25
387 0.17
388 0.47
389 1.04
390 1.10
391 0.28
392 1.29
393 0.59
394 -2.61
395 0.47
396 0.28
397 1.29
398 0.64
399 1.40
400 -0.68
401 1.04
402 -0.94
403 0.23
404 0.25
405 0.04
416 0.34
417 -0.41
418 -0.83
419 0.34
420 1.10
421 0.28
422 0.08
423 0.08
424 -0.74
425 1.00
426 1.29
427 0.08
428 0.20
429 1.12
430 1.06
431 -0.44
432 1.10
433 -0.68
434 1.29
435 -0.10
436 0.47
437 1.10
438 0.23
439 -0.03
440 1.29
441 0.28
442 -0.84
443 0.29
444 0.54
445 0.28
446 1.14
447 0.51
448 -0.83
449 0.08
450 0.08
451 0.91
452 0.59
453 0.28
454 1.29
455 1.14
456 1.40
457 1.25
458 0.17
459 -0.72
460 1.40
461 1.10
462 0.28
463 1.29
464 0.59
465 -2.61
466 0.47
467 0.28
468 1.29
469 0.64
470 1.40
471 -0.68
472 0.54
473 -0.94
474 0.23
475 0.25
#Reported_Model_Average 0.394
#Overall_Average_Reported 0.394
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
85 0.25
86 0.14
87 0.17
88 0.24
89 -0.43
90 0.81
91 0.08
92 0.34
93 0.91
94 0.08
95 -1.63
96 0.28
97 -0.46
98 -0.33
99 0.34
100 0.71
101 0.23
102 1.62
103 1.04
104 0.23
105 1.06
106 1.00
107 0.64
108 0.08
109 0.25
110 0.08
111 -0.74
112 -0.59
113 1.10
114 0.64
115 0.77
116 1.29
117 0.93
118 0.71
119 0.93
120 0.34
121 -0.87
122 0.49
123 0.81
124 0.23
125 0.51
126 0.08
127 0.51
128 0.93
129 0.23
130 1.06
131 0.08
132 0.49
133 -0.26
134 1.40
135 0.59
136 0.66
137 -0.94
138 -1.63
139 0.23
140 0.24
141 1.06
142 0.28
143 0.08
144 1.06
145 -0.94
146 0.77
147 1.06
148 0.71
149 0.49
150 1.04
151 0.55
152 0.28
153 0.28
154 1.10
155 -0.25
156 0.81
157 1.00
158 1.10
159 -0.46
160 0.93
161 0.59
162 0.44
163 0.29
164 0.25
165 0.34
166 -0.84
167 0.25
168 1.10
169 0.54
170 0.08
171 -0.54
172 0.04
173 0.34
174 1.00
175 0.47
176 0.41
177 0.49
178 0.93
179 1.10
180 -0.09
181 1.06
182 0.81
183 1.10
184 1.10
185 1.06
186 0.28
187 1.62
188 0.09
189 0.34
190 -2.61
191 0.08
192 1.00
193 0.24
194 1.00
195 0.17
196 -0.10
197 0.08
198 1.06
199 0.25
200 0.24
201 1.04
202 0.49
203 1.12
214 0.25
215 0.14
216 0.17
217 0.24
218 -0.43
219 0.81
220 0.08
221 0.34
222 0.91
223 0.08
224 -1.63
225 0.28
226 -0.46
227 -0.33
228 0.34
229 0.71
230 0.23
231 1.12
232 1.04
233 0.23
234 1.06
235 1.00
236 0.44
237 0.08
238 0.25
239 0.08
240 -0.74
241 -0.59
242 1.10
243 -0.07
244 1.06
245 1.29
246 0.93
247 0.71
248 0.93
249 0.34
250 -0.87
251 0.49
252 -0.54
253 0.23
254 0.51
255 0.08
256 0.51
257 0.93
258 0.23
259 1.06
260 0.08
261 0.49
262 -0.56
263 1.40
264 0.59
265 0.66
266 -0.94
267 -0.84
268 0.23
269 0.24
270 1.06
271 0.28
272 0.08
273 1.06
274 -0.94
275 0.77
276 1.06
277 0.71
278 0.49
279 1.04
280 0.55
281 0.28
282 0.04
283 1.10
284 -0.25
285 0.81
286 1.00
287 1.10
288 -0.46
289 0.93
290 0.59
291 0.44
292 0.29
293 0.25
294 0.34
295 -0.84
296 0.25
297 1.10
298 0.54
299 0.08
300 0.81
301 0.28
302 0.34
303 1.00
304 0.08
305 0.41
306 0.49
307 0.93
308 1.10
309 0.66
310 1.06
311 0.81
312 1.10
313 1.10
314 1.06
315 0.28
316 1.62
317 0.09
318 0.34
319 -0.56
320 0.08
321 1.00
322 0.24
323 -0.09
324 0.59
325 -0.10
326 0.55
327 1.06
328 0.25
329 0.24
330 1.04
331 0.49
332 1.12
343 -0.41
344 0.20
345 0.34
346 -0.41
347 -0.83
348 0.34
349 1.10
350 0.28
351 0.47
352 0.08
353 -0.09
354 0.66
355 1.29
356 0.08
357 0.20
358 1.12
359 1.06
360 -0.44
361 1.10
362 -0.68
363 1.29
364 -0.10
365 0.47
366 1.10
367 0.23
368 -0.03
369 1.29
370 0.04
371 -0.84
372 -0.68
373 0.54
374 0.04
375 1.14
376 0.51
377 -0.83
378 0.08
379 0.08
380 0.91
381 0.59
382 0.28
383 1.29
384 1.14
385 1.40
386 1.25
387 0.17
388 0.47
389 1.04
390 1.10
391 0.28
392 1.29
393 0.59
394 -2.61
395 0.47
396 0.28
397 1.29
398 0.64
399 1.40
400 -0.68
401 1.04
402 -0.94
403 0.23
404 0.25
405 0.04
416 0.34
417 -0.41
418 -0.83
419 0.34
420 1.10
421 0.28
422 0.08
423 0.08
424 -0.74
425 1.00
426 1.29
427 0.08
428 0.20
429 1.12
430 1.06
431 -0.44
432 1.10
433 -0.68
434 1.29
435 -0.10
436 0.47
437 1.10
438 0.23
439 -0.03
440 1.29
441 0.28
442 -0.84
443 0.29
444 0.54
445 0.28
446 1.14
447 0.51
448 -0.83
449 0.08
450 0.08
451 0.91
452 0.59
453 0.28
454 1.29
455 1.14
456 1.40
457 1.25
458 0.17
459 -0.72
460 1.40
461 1.10
462 0.28
463 1.29
464 0.59
465 -2.61
466 0.47
467 0.28
468 1.29
469 0.64
470 1.40
471 -0.68
472 0.54
473 -0.94
474 0.23
475 0.25
#Reported_Model_Average 0.394
#Overall_Average_Reported 0.394
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
85.000 0
86.000 0
87.000 1
88.000 0
89.000 0
90.000 1
91.000 0
92.000 0
93.000 0
94.000 0
95.000 0
96.000 0
97.000 0
98.000 2
99.000 0
100.000 0
101.000 0
102.000 0
103.000 1
104.000 0
105.000 0
106.000 0
107.000 0
108.000 3
109.000 1
110.000 2
111.000 1
112.000 2
113.000 0
114.000 1
115.000 1
116.000 0
117.000 0
118.000 1
119.000 1
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 1
134.000 0
135.000 0
136.000 1
137.000 0
138.000 0
139.000 0
140.000 0
141.000 0
142.000 0
143.000 0
144.000 0
145.000 0
146.000 2
147.000 2
148.000 0
149.000 0
150.000 0
151.000 0
152.000 0
153.000 0
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 1
163.000 6
164.000 0
165.000 0
166.000 7
167.000 0
168.000 0
169.000 1
170.000 0
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 0
182.000 1
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 1
193.000 0
194.000 3
195.000 0
196.000 0
197.000 0
198.000 2
199.000 1
200.000 0
201.000 0
202.000 0
203.000 0
204.000 0
205.000 0
206.000 0
207.000 0
208.000 0
209.000 0
210.000 0
211.000 0
212.000 0
213.000 0
214.000 0
215.000 0
216.000 0
217.000 0
218.000 0
219.000 0
220.000 0
221.000 0
222.000 0
223.000 0
224.000 0
225.000 0
226.000 0
227.000 1
228.000 0
229.000 0
230.000 0
231.000 0
232.000 0
233.000 0
234.000 0
235.000 1
236.000 0
237.000 3
238.000 0
239.000 0
240.000 2
241.000 0
242.000 0
243.000 0
244.000 0
245.000 1
246.000 0
247.000 0
248.000 0
249.000 0
250.000 0
251.000 1
252.000 0
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 0
266.000 1
267.000 0
268.000 0
269.000 0
270.000 2
271.000 1
272.000 0
273.000 0
274.000 0
275.000 1
276.000 3
277.000 2
278.000 0
279.000 0
280.000 0
281.000 0
282.000 0
283.000 0
284.000 0
285.000 0
286.000 0
287.000 0
288.000 1
289.000 0
290.000 0
291.000 0
292.000 3
293.000 0
294.000 0
295.000 0
296.000 0
297.000 0
298.000 0
299.000 1
300.000 0
301.000 1
302.000 0
303.000 0
304.000 0
305.000 0
306.000 0
307.000 0
308.000 0
309.000 0
310.000 0
311.000 1
312.000 0
313.000 0
314.000 0
315.000 1
316.000 0
317.000 0
318.000 0
319.000 0
320.000 0
321.000 0
322.000 0
323.000 0
324.000 1
325.000 0
326.000 0
327.000 0
328.000 2
329.000 0
330.000 0
331.000 0
332.000 1
333.000 0
334.000 0
335.000 0
336.000 0
337.000 0
338.000 0
339.000 0
340.000 0
341.000 0
342.000 0
343.000 0
344.000 0
345.000 0
346.000 0
347.000 0
348.000 0
349.000 0
350.000 0
351.000 0
352.000 0
353.000 4
354.000 0
355.000 2
356.000 1
357.000 0
358.000 1
359.000 1
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 1
370.000 0
371.000 3
372.000 0
373.000 0
374.000 0
375.000 1
376.000 0
377.000 0
378.000 0
379.000 1
380.000 1
381.000 1
382.000 1
383.000 0
384.000 2
385.000 0
386.000 0
387.000 0
388.000 2
389.000 0
390.000 0
391.000 0
392.000 0
393.000 0
394.000 1
395.000 1
396.000 0
397.000 1
398.000 0
399.000 0
400.000 1
401.000 0
402.000 0
403.000 0
404.000 0
405.000 0
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 0
416.000 0
417.000 0
418.000 0
419.000 0
420.000 0
421.000 0
422.000 2
423.000 0
424.000 0
425.000 1
426.000 1
427.000 0
428.000 0
429.000 0
430.000 1
431.000 0
432.000 0
433.000 0
434.000 0
435.000 0
436.000 0
437.000 0
438.000 0
439.000 0
440.000 0
441.000 1
442.000 3
443.000 2
444.000 0
445.000 0
446.000 0
447.000 0
448.000 0
449.000 0
450.000 0
451.000 0
452.000 0
453.000 1
454.000 0
455.000 1
456.000 0
457.000 0
458.000 0
459.000 1
460.000 0
461.000 0
462.000 1
463.000 0
464.000 0
465.000 1
466.000 1
467.000 0
468.000 1
469.000 0
470.000 0
471.000 1
472.000 0
473.000 0
474.000 0
475.000 0
#Reported_Model_Average 0.317
#Overall_Average_Reported 0.317
List of bad contacts calculated by MAGE
/farm/software/bin/probe
: 5781:M 275 LEU 3HD2 :M 227 LEU 2HD1 : -0.937: 49
: 5781:M 292 LEU 1HD1 :M 240 VAL 3HG1 : -0.894: 47
: 5781:M 245 CYS 1HB :M 292 LEU 1HD2 : -0.521: 48
: 5781:M 240 VAL 3HG1 :M 292 LEU CD1 : -0.515: 47
: 5781:M 353 VAL 3HG1 :M 371 PHE HD2 : -0.841: 45
: 5781:M 371 PHE CD2 :M 353 VAL 3HG1 : -0.754: 45
: 5781:M 381 SER 1HB :M 353 VAL 1HG2 : -0.529: 41
: 5781:M 358 TRP 2HB :M 355 CYS 2HB : -0.491: 38
: 5781:M 353 VAL HA :M 379 LYS O : -0.434: 38
: 5781:M 355 CYS 1HB :M 371 PHE 1HB : -0.420: 38
: 5781:M 98 LEU 2HD1 :M 146 LEU 3HD2 : -0.781: 41
: 5781:M 98 LEU 2HD1 :M 146 LEU CD2 : -0.478: 41
: 5781:M 462 GLU 2HG :M 237 LYS 2HE : -0.779: 38
: 5781:M 237 LYS HA :M 237 LYS 2HD : -0.467: 34
: 5781:M 166 PHE CD2 :M 163 LEU 1HB : -0.732: 68
: 5781:M 166 PHE HD2 :M 163 LEU 1HB : -0.636: 68
: 5781:M 163 LEU 1HD1 :M 111 VAL 3HG1 : -0.437: 43
: 5781:M 166 PHE CD2 :M 166 PHE N : -0.428: 68
: 5781:M 166 PHE CE2 :M 163 LEU 2HD1 : -0.427: 71
: 5781:M 163 LEU 1HB :M 166 PHE CE2 : -0.418: 71
: 5781:M 166 PHE CE2 :M 163 LEU CD1 : -0.410: 71
: 5781:M 109 GLN 2HE2 :M 118 ARG HE : -0.691: 52
: 5781:M 365 LYS 1HB :M 369 CYS 1HB : -0.627: 45
: 5781:M 425 VAL HA :M 443 LEU 1HB : -0.626: 37
: 5781:M 426 CYS 1HB :M 442 PHE 1HB : -0.592: 37
: 5781:M 422 LYS 1HB :M 443 LEU CD2 : -0.565: 45
: 5781:M 422 LYS 2HD :M 442 PHE C : -0.485: 45
: 5781:M 442 PHE CD1 :M 441 GLU 2HG : -0.455: 58
: 5781:M 375 TYR HE1 :M 380 MET 2HE : -0.614: 55
: 5781:M 147 LEU C :M 147 LEU 3HD2 : -0.572: 25
: 5781:M 271 GLU 1HB :M 266 ILE 2HG2 : -0.571: 53
: 5781:M 276 LEU C :M 276 LEU 3HD2 : -0.544: 26
: 5781:M 277 ARG 1HG :M 288 GLU 1HB : -0.468: 30
: 5781:M 276 LEU 3HD2 :M 277 ARG N : -0.417: 27
: 5781:M 382 GLU HA :M 400 LEU 1HB : -0.542: 37
: 5781:M 455 TYR CZ :M 459 LYS 2HG : -0.531: 42
: 5781:M 384 TYR CZ :M 388 LYS 2HG : -0.520: 42
: 5781:M 388 LYS 2HG :M 384 TYR CE2 : -0.462: 42
: 5781:M 194 VAL 3HG1 :M 198 LEU CB : -0.507: 39
: 5781:M 194 VAL 3HG1 :M 198 LEU 1HB : -0.436: 39
: 5781:M 194 VAL 2HG1 :M 199 GLN 2HG : -0.434: 42
: 5781:M 311 ILE O :M 315 GLU 2HG : -0.488: 38
: 5781:M 182 ILE 1HG1 :M 192 VAL 1HG1 : -0.482: 29
: 5781:M 251 ALA 2HB :M 235 MET 2HG : -0.473: 34
: 5781:M 471 LEU 1HB :M 453 GLU HA : -0.473: 43
: 5781:M 359 LEU 2HD1 :M 356 LYS HA : -0.472: 41
: 5781:M 270 LEU 3HD2 :M 270 LEU C : -0.444: 42
: 5781:M 430 LEU O :M 103 PHE 2HB : -0.439: 32
: 5781:M 328 GLN O :M 332 TRP 1HB : -0.438: 62
: 5781:M 324 SER O :M 328 GLN 2HG : -0.423: 52
: 5781:M 169 HIS 2HB :M 114 PRO CG : -0.435: 36
: 5781:M 394 ASN 2HB :M 397 CYS 1HB : -0.426: 29
: 5781:M 112 GLU CG :M 110 LYS 1HE : -0.423: 56
: 5781:M 112 GLU OE2 :M 110 LYS 2HD : -0.400: 60
: 5781:M 466 LYS 1HG :M 395 LYS 1HG : -0.419: 39
: 5781:M 133 ASN HA :M 90 ILE O : -0.414: 32
: 5781:M 299 THR OG1 :M 301 GLU 2HB : -0.412: 44
: 5781:M 87 SER 1HB :M 136 VAL O : -0.408: 61
: 5781:M 468 CYS 1HB :M 465 ASN 2HB : -0.406: 26
: 5781:M 162 PRO HA :M 115 LEU 3HD2 : -0.403: 32
: 5781:M 119 ILE 3HG2 :M 108 LYS 1HB : -0.403: 34
: 5781:M 108 LYS 2HE :M 108 LYS HA : -0.400: 35
#sum2 ::10.72 clashscore : 7.17 clashscore B<40
#summary::5781 atoms:3625 atoms B<40:650951 potential dots:40680.0 A^2:62 bumps:26 bumps B<40:2090 score
Output from PDB validation software
Summary from PDB validation
May. 10, 14:20:32 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
------------------------------------------------------------------------
-0.045 MET A 93 SD - CE 1.746 1.791
0.044 MET A 124 CG - SD 1.847 1.803
-0.080 MET B 124 SD - CE 1.711 1.791
0.051 MET D 93 SD - CE 1.842 1.791
*** Covalent Angle Values:
The RMS deviation for covalent angles relative to the standard
dictionary is 1.4 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
--------------------------------------------------------------------------------
-8.7 LYS A 108 N - CA - C 102.5 111.2
-9.5 ASN A 127 N - CA - C 101.7 111.2
-9.7 ASN A 133 N - CA - C 101.5 111.2
-8.5 PRO A 167 N - CA - C 103.3 111.8
9.3 GLY A 168 N - CA - C 121.8 112.5
-9.5 ASP B 101 N - CA - C 101.7 111.2
-8.8 ASN B 133 N - CA - C 102.4 111.2
-10.4 ASP D 116 CB - CA - C 99.7 110.1
-16.1 PRO D 117 N - CA - C 95.7 111.8
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.