Detailed results of HR4694F_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 >>>----------+
| |
| HR4694F_XRay_em_bcr3_noHs_000.rin 0.0 311 residues |
| |
| Ramachandran plot: 91.8% core 8.2% allow 0.0% gener 0.0% disall |
| |
+| All Ramachandrans: 1 labelled residues (out of 283) |
+| Chi1-chi2 plots: 3 labelled residues (out of 170) |
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
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
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
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
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
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
154 -2.42
155 -1.41
156 -0.78
157 0.31
158 -0.31
159 0.38
160 0.05
161 -0.87
162 -0.91
163 0.29
164 -1.27
165 -1.10
166 -0.61
167 -0.57
168 0.34
169 -0.01
170 0.37
171 -2.21
172 -0.31
173 -0.31
174 1.03
175 0.31
176 -0.84
177 0.77
178 0.36
179 1.13
180 0.83
181 -1.09
182 0.28
183 1.08
184 0.82
189 0.53
190 -0.87
191 -0.47
192 0.62
193 -0.27
194 -1.07
195 0.06
196 -1.12
197 0.08
198 0.33
199 -0.77
200 0.52
206 -0.33
207 0.37
208 -0.34
209 -0.44
210 0.43
211 0.34
212 -1.56
213 -0.25
214 -0.91
215 0.88
216 0.05
217 -0.92
218 -1.19
219 0.15
220 -1.98
221 -0.62
222 -0.68
223 -0.29
224 0.57
225 -0.35
226 -0.45
227 -0.58
228 -0.56
229 -0.74
230 0.04
231 0.40
232 -0.70
248 -2.02
249 -0.94
250 -1.01
251 0.31
252 -0.32
253 0.12
254 -0.08
255 -1.30
256 -0.47
257 0.29
258 -1.33
259 -1.74
260 -0.61
261 -1.21
262 0.34
263 -0.01
264 0.01
265 -2.21
266 -0.36
267 -1.07
268 1.03
269 0.34
270 -0.34
271 0.81
272 -0.10
273 0.93
274 1.09
275 -1.10
276 -0.90
277 0.68
278 0.82
283 0.53
284 -1.36
285 -0.68
286 0.62
287 0.05
288 -1.45
289 -0.22
290 -0.99
291 0.08
292 0.33
293 -0.56
294 -0.09
299 -0.60
300 -0.17
301 0.01
302 -0.63
303 -0.44
304 0.43
305 0.24
306 -1.30
307 -0.18
308 -0.41
309 0.88
310 0.05
311 -0.92
312 -1.30
313 1.00
314 -1.69
315 -0.62
316 -0.68
317 -0.29
318 0.57
319 -0.35
320 -0.42
321 -0.58
322 -0.68
323 -0.74
324 -0.03
325 0.15
326 -0.94
327 0.37
328 -0.13
342 -0.33
343 -1.41
344 -1.01
345 0.04
346 -0.31
347 0.39
348 -0.08
349 -1.30
350 0.15
351 0.29
352 -1.33
353 -1.74
354 -0.92
355 -1.64
356 0.42
357 -0.01
358 0.62
359 -2.00
360 -0.39
361 -0.38
362 1.11
363 0.31
364 -0.34
365 1.05
366 0.36
367 0.62
368 0.75
369 -1.42
370 0.28
371 0.37
372 0.58
377 0.57
378 -0.49
379 -0.15
380 -0.58
381 -0.12
382 -1.45
383 -0.22
384 -0.99
385 0.08
386 0.37
387 -0.49
388 0.08
394 -0.19
395 0.37
396 -0.44
397 -0.31
398 0.43
399 0.34
400 -0.56
401 -0.18
402 -0.95
403 0.83
404 0.43
405 -0.77
406 -1.30
407 1.00
408 -1.69
409 -0.43
410 -0.68
411 -0.02
412 0.57
413 -0.35
414 -0.42
415 -0.36
416 -0.56
417 -1.44
418 0.38
419 -0.40
420 -0.37
421 -3.02
422 -1.60
437 -2.19
438 0.01
439 -1.01
440 0.04
441 -0.31
442 0.39
443 -0.30
444 -1.13
445 0.15
446 0.44
447 -1.27
448 -1.10
449 -0.72
450 -1.21
451 0.42
452 0.08
453 0.42
454 -2.67
455 -0.32
456 -0.31
457 0.87
458 0.31
459 -0.34
460 0.98
461 -0.92
462 1.13
463 1.09
464 -1.00
465 1.04
466 0.68
467 0.82
472 0.64
473 -0.80
474 -0.47
475 0.62
476 -0.49
477 -1.45
478 0.06
479 -1.12
480 0.08
481 0.33
482 -0.77
489 -0.17
490 0.37
491 -0.34
492 -0.44
493 0.22
494 0.24
495 -0.56
496 -0.18
497 -0.91
498 0.88
499 0.43
500 -1.07
501 -0.60
502 0.68
503 -1.11
504 -0.59
505 -0.39
506 -0.48
507 0.57
508 -0.35
509 -0.42
510 -1.14
511 -0.68
512 -1.15
513 -0.03
514 -0.61
#Reported_Model_Average -0.289
#Overall_Average_Reported -0.289
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
151 0.00
153 -1.62
154 -2.20
155 -1.41
156 -1.72
157 0.69
158 0.28
159 0.59
160 0.30
161 -0.16
162 -0.91
163 0.52
164 -0.82
165 -0.06
166 -0.51
167 -0.73
168 0.66
169 -0.55
170 0.37
171 -2.21
172 0.14
173 -0.09
174 1.03
175 0.45
176 -0.04
177 0.85
178 0.35
179 1.20
180 0.60
181 -0.23
182 0.21
183 0.97
184 0.82
185 -0.53
188 0.02
189 0.53
190 0.00
191 -0.54
192 0.62
193 -0.27
194 -0.47
195 0.46
196 -1.12
197 -0.50
198 0.09
199 -0.90
200 -0.87
201 0.00
205 0.00
206 -0.06
207 0.37
208 -0.33
209 -0.44
210 0.22
211 0.46
212 -0.46
213 -0.46
214 -1.38
215 1.04
216 0.55
217 -0.21
218 -0.28
219 0.15
220 -1.53
221 0.13
222 -0.08
223 -0.73
224 0.53
225 0.34
226 0.07
227 0.15
228 0.06
229 -0.36
230 0.09
231 0.40
232 -0.08
233 -0.88
244 -0.72
245 1.06
247 -0.54
248 -0.89
249 -0.94
250 -1.83
251 0.62
252 0.28
253 0.26
254 0.37
255 -0.19
256 -0.47
257 0.28
258 -1.09
259 -0.37
260 -0.31
261 -1.05
262 0.05
263 -0.13
264 0.01
265 -2.21
266 -0.75
267 -0.47
268 1.03
269 0.60
270 0.15
271 0.96
272 0.12
273 1.06
274 0.87
275 -0.53
276 -0.23
277 0.57
278 0.82
279 0.57
282 -0.30
283 0.53
284 -0.25
285 -1.86
286 0.62
287 -0.21
288 -0.66
289 -0.05
290 -0.99
291 -0.24
292 -0.02
293 -0.79
294 -0.15
295 -0.84
298 0.00
299 -0.60
300 0.10
301 0.01
302 -0.59
303 -0.44
304 0.22
305 0.42
306 -0.62
307 -0.42
308 -1.22
309 0.62
310 0.55
311 -0.21
312 -0.21
313 1.00
314 -1.62
315 0.21
316 0.09
317 -0.43
318 0.65
319 0.07
320 0.16
321 0.16
322 -0.01
323 -0.46
324 -0.03
325 0.15
326 -0.03
327 0.50
328 -0.51
329 0.28
341 -0.24
342 -0.13
343 -1.41
344 -1.63
345 -0.10
346 0.16
347 0.18
348 0.03
349 -0.37
350 0.15
351 -0.89
352 -0.64
353 -0.49
354 -1.00
355 -1.26
356 0.58
357 -0.13
358 0.62
359 -2.00
360 -1.62
361 -0.12
362 1.11
363 0.45
364 0.07
365 0.40
366 0.35
367 0.79
368 0.02
369 -0.61
370 -0.21
371 0.10
372 0.58
373 -0.04
376 -0.93
377 0.57
378 0.21
379 -0.60
380 -0.58
381 0.25
382 -0.66
383 0.54
384 -0.99
385 -0.50
386 0.11
387 -1.20
388 -0.61
389 -0.88
393 0.00
394 -0.23
395 0.37
396 -0.59
397 -0.31
398 0.22
399 0.76
400 0.29
401 0.03
402 -0.90
403 0.75
404 0.74
405 -0.47
406 -0.41
407 1.00
408 -1.06
409 -0.19
410 0.09
411 -0.67
412 0.62
413 0.34
414 -0.07
415 0.26
416 0.06
417 -0.60
418 0.65
419 -0.40
420 0.08
421 -1.95
422 -0.78
423 -3.11
434 -3.11
436 0.00
437 -0.98
438 0.01
439 -1.72
440 0.48
441 0.28
442 0.49
443 0.13
444 -0.13
445 0.15
446 0.64
447 -0.99
448 -0.27
449 -1.79
450 -1.05
451 0.09
452 -0.50
453 0.42
454 -2.67
455 0.33
456 0.49
457 0.87
458 -0.12
459 -0.32
460 0.63
461 -0.30
462 1.11
463 0.73
464 -0.32
465 0.74
466 0.77
467 0.82
468 0.57
471 0.00
472 0.64
473 -0.14
474 -0.73
475 0.62
476 0.28
477 -0.66
478 0.83
479 -1.12
480 -0.50
481 -0.52
482 -0.39
483 -0.20
488 0.20
489 -0.83
490 0.37
491 -0.13
492 -0.44
493 0.11
494 0.09
495 0.04
496 -0.59
497 -1.78
498 0.08
499 0.92
500 -0.28
501 -0.45
502 0.68
503 -0.69
504 0.34
505 0.24
506 -0.52
507 0.72
508 -0.47
509 0.25
510 -0.13
511 -0.01
512 -0.56
513 0.05
514 -0.61
515 -1.02
#Reported_Model_Average -0.157
#Overall_Average_Reported -0.157
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
151 0.00
152 -1.30
153 0.25
154 0.47
155 0.44
156 -0.94
157 0.66
158 0.24
159 1.00
160 0.71
161 1.06
162 0.64
163 0.41
164 -0.10
165 0.25
166 -0.41
167 0.55
168 -0.74
169 1.00
170 0.44
171 0.49
172 0.24
173 -0.35
174 1.10
175 -0.40
176 0.08
177 1.00
178 0.71
179 0.51
180 0.59
181 1.06
182 0.47
183 -0.10
184 0.49
185 1.06
186 -0.83
187 -0.83
188 0.71
189 1.10
190 1.06
191 -0.28
192 0.59
193 0.28
194 -0.35
195 1.29
196 0.49
197 1.00
198 1.14
199 0.71
200 -0.94
201 0.00
205 0.00
206 0.47
207 -0.11
208 0.93
209 1.10
210 1.62
211 0.51
212 0.55
213 0.51
214 0.93
215 0.59
216 -0.42
217 1.06
218 0.08
219 1.10
220 0.28
221 -0.46
222 1.06
223 1.04
224 1.00
225 0.28
226 -0.09
227 0.29
228 -0.59
229 0.41
230 0.66
231 0.44
232 -0.68
233 0.08
244 0.34
245 1.04
246 -1.30
247 0.25
248 -0.10
249 0.44
250 -0.28
251 1.00
252 0.24
253 1.00
254 0.71
255 1.06
256 0.64
257 0.41
258 -0.10
259 0.25
260 -0.41
261 0.55
262 -0.74
263 0.66
264 0.44
265 0.49
266 0.24
267 -0.35
268 1.10
269 -0.74
270 0.08
271 1.00
272 0.71
273 0.51
274 0.59
275 1.06
276 -0.10
277 -0.10
278 0.49
279 1.06
280 -0.83
281 -0.83
282 0.71
283 1.10
284 1.06
285 -0.94
286 0.59
287 0.28
288 -0.35
289 1.29
290 0.49
291 1.00
292 1.14
293 0.71
294 -0.94
295 0.25
298 0.00
299 0.00
300 0.47
301 -0.11
302 0.93
303 1.10
304 1.62
305 0.51
306 0.55
307 0.51
308 0.81
309 0.59
310 -0.42
311 1.06
312 0.55
313 1.10
314 -0.46
315 -0.46
316 1.06
317 0.54
318 1.00
319 0.28
320 -0.09
321 0.29
322 -0.59
323 0.41
324 0.66
325 0.64
326 -0.68
327 0.08
328 0.55
329 0.20
340 0.23
341 0.25
342 -0.10
343 0.44
344 -0.28
345 0.66
346 0.71
347 1.00
348 0.71
349 0.77
350 0.64
351 0.41
352 -0.10
353 0.25
354 0.24
355 0.55
356 -0.74
357 1.00
358 0.44
359 0.49
360 0.71
361 -0.81
362 1.10
363 -0.40
364 0.08
365 1.00
366 0.71
367 0.51
368 0.59
369 1.06
370 0.47
371 0.47
372 0.49
373 1.06
374 -1.30
375 -0.83
376 0.71
377 1.10
378 1.06
379 -0.94
380 0.59
381 0.28
382 -0.35
383 1.29
384 -0.25
385 1.00
386 1.25
387 0.71
388 -0.94
389 0.25
393 0.00
394 0.47
395 0.25
396 0.81
397 1.10
398 1.62
399 0.23
400 0.08
401 0.51
402 0.81
403 0.59
404 1.62
405 1.06
406 0.55
407 1.10
408 -0.46
409 -0.59
410 1.06
411 0.54
412 1.00
413 0.28
414 -0.09
415 -0.68
416 0.04
417 0.41
418 -0.80
419 0.25
420 -1.14
421 0.08
422 0.08
423 0.20
434 0.20
435 -1.30
436 0.00
437 0.47
438 0.44
439 -0.28
440 0.66
441 0.71
442 1.00
443 0.71
444 0.77
445 0.64
446 0.51
447 -0.10
448 0.10
449 -0.44
450 0.55
451 -0.09
452 1.00
453 0.44
454 0.49
455 0.24
456 -0.35
457 1.10
458 -0.74
459 0.08
460 1.00
461 0.71
462 0.51
463 0.59
464 1.06
465 0.47
466 0.47
467 0.49
468 1.06
469 -0.83
470 0.23
471 -0.44
472 1.10
473 1.06
474 -0.28
475 0.59
476 0.04
477 -0.35
478 1.29
479 -0.25
480 1.00
481 1.25
482 0.71
483 -0.94
488 0.08
489 0.47
490 0.25
491 0.81
492 1.10
493 1.62
494 0.23
495 0.08
496 0.51
497 0.93
498 0.59
499 -2.06
500 1.06
501 0.55
502 1.10
503 0.28
504 -0.59
505 1.06
506 0.54
507 1.00
508 0.28
509 -0.09
510 -0.68
511 0.04
512 0.41
513 -0.80
514 0.25
515 -1.14
#Reported_Model_Average 0.351
#Overall_Average_Reported 0.351
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
151 0.00
152 -1.30
153 0.25
154 0.47
155 0.44
156 -0.94
157 0.66
158 0.24
159 1.00
160 0.71
161 1.06
162 0.64
163 0.41
164 -0.10
165 0.25
166 -0.41
167 0.55
168 -0.74
169 1.00
170 0.44
171 0.49
172 0.24
173 -0.35
174 1.10
175 -0.40
176 0.08
177 1.00
178 0.71
179 0.51
180 0.59
181 1.06
182 0.47
183 -0.10
184 0.49
185 1.06
186 -0.83
187 -0.83
188 0.71
189 1.10
190 1.06
191 -0.28
192 0.59
193 0.28
194 -0.35
195 1.29
196 0.49
197 1.00
198 1.14
199 0.71
200 -0.94
201 0.00
205 0.00
206 0.47
207 -0.11
208 0.93
209 1.10
210 1.62
211 0.51
212 0.55
213 0.51
214 0.93
215 0.59
216 -0.42
217 1.06
218 0.08
219 1.10
220 0.28
221 -0.46
222 1.06
223 1.04
224 1.00
225 0.28
226 -0.09
227 0.29
228 -0.59
229 0.41
230 0.66
231 0.44
232 -0.68
233 0.08
244 0.34
245 1.04
246 -1.30
247 0.25
248 -0.10
249 0.44
250 -0.28
251 1.00
252 0.24
253 1.00
254 0.71
255 1.06
256 0.64
257 0.41
258 -0.10
259 0.25
260 -0.41
261 0.55
262 -0.74
263 0.66
264 0.44
265 0.49
266 0.24
267 -0.35
268 1.10
269 -0.74
270 0.08
271 1.00
272 0.71
273 0.51
274 0.59
275 1.06
276 -0.10
277 -0.10
278 0.49
279 1.06
280 -0.83
281 -0.83
282 0.71
283 1.10
284 1.06
285 -0.94
286 0.59
287 0.28
288 -0.35
289 1.29
290 0.49
291 1.00
292 1.14
293 0.71
294 -0.94
295 0.25
298 0.00
299 0.00
300 0.47
301 -0.11
302 0.93
303 1.10
304 1.62
305 0.51
306 0.55
307 0.51
308 0.81
309 0.59
310 -0.42
311 1.06
312 0.55
313 1.10
314 -0.46
315 -0.46
316 1.06
317 0.54
318 1.00
319 0.28
320 -0.09
321 0.29
322 -0.59
323 0.41
324 0.66
325 0.64
326 -0.68
327 0.08
328 0.55
329 0.20
340 0.23
341 0.25
342 -0.10
343 0.44
344 -0.28
345 0.66
346 0.71
347 1.00
348 0.71
349 0.77
350 0.64
351 0.41
352 -0.10
353 0.25
354 0.24
355 0.55
356 -0.74
357 1.00
358 0.44
359 0.49
360 0.71
361 -0.81
362 1.10
363 -0.40
364 0.08
365 1.00
366 0.71
367 0.51
368 0.59
369 1.06
370 0.47
371 0.47
372 0.49
373 1.06
374 -1.30
375 -0.83
376 0.71
377 1.10
378 1.06
379 -0.94
380 0.59
381 0.28
382 -0.35
383 1.29
384 -0.25
385 1.00
386 1.25
387 0.71
388 -0.94
389 0.25
393 0.00
394 0.47
395 0.25
396 0.81
397 1.10
398 1.62
399 0.23
400 0.08
401 0.51
402 0.81
403 0.59
404 1.62
405 1.06
406 0.55
407 1.10
408 -0.46
409 -0.59
410 1.06
411 0.54
412 1.00
413 0.28
414 -0.09
415 -0.68
416 0.04
417 0.41
418 -0.80
419 0.25
420 -1.14
421 0.08
422 0.08
423 0.20
434 0.20
435 -1.30
436 0.00
437 0.47
438 0.44
439 -0.28
440 0.66
441 0.71
442 1.00
443 0.71
444 0.77
445 0.64
446 0.51
447 -0.10
448 0.10
449 -0.44
450 0.55
451 -0.09
452 1.00
453 0.44
454 0.49
455 0.24
456 -0.35
457 1.10
458 -0.74
459 0.08
460 1.00
461 0.71
462 0.51
463 0.59
464 1.06
465 0.47
466 0.47
467 0.49
468 1.06
469 -0.83
470 0.23
471 -0.44
472 1.10
473 1.06
474 -0.28
475 0.59
476 0.04
477 -0.35
478 1.29
479 -0.25
480 1.00
481 1.25
482 0.71
483 -0.94
488 0.08
489 0.47
490 0.25
491 0.81
492 1.10
493 1.62
494 0.23
495 0.08
496 0.51
497 0.93
498 0.59
499 -2.06
500 1.06
501 0.55
502 1.10
503 0.28
504 -0.59
505 1.06
506 0.54
507 1.00
508 0.28
509 -0.09
510 -0.68
511 0.04
512 0.41
513 -0.80
514 0.25
515 -1.14
#Reported_Model_Average 0.351
#Overall_Average_Reported 0.351
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
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 1
160.000 0
161.000 0
162.000 0
163.000 0
164.000 0
165.000 1
166.000 0
167.000 0
168.000 0
169.000 0
170.000 1
171.000 0
172.000 1
173.000 0
174.000 0
175.000 0
176.000 0
177.000 0
178.000 0
179.000 0
180.000 0
181.000 1
182.000 0
183.000 0
184.000 0
185.000 0
186.000 0
187.000 0
188.000 1
189.000 0
190.000 0
191.000 0
192.000 0
193.000 2
194.000 0
195.000 0
196.000 0
197.000 0
198.000 1
199.000 0
200.000 1
201.000 1
202.000 0
203.000 0
204.000 0
205.000 0
206.000 0
207.000 0
208.000 1
209.000 0
210.000 0
211.000 0
212.000 0
213.000 2
214.000 0
215.000 0
216.000 2
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 0
228.000 0
229.000 0
230.000 0
231.000 0
232.000 0
233.000 0
234.000 0
235.000 0
236.000 0
237.000 0
238.000 0
239.000 0
240.000 0
241.000 0
242.000 0
243.000 0
244.000 0
245.000 1
246.000 0
247.000 0
248.000 1
249.000 1
250.000 1
251.000 1
252.000 0
253.000 1
254.000 0
255.000 0
256.000 0
257.000 0
258.000 0
259.000 1
260.000 0
261.000 0
262.000 0
263.000 0
264.000 1
265.000 1
266.000 2
267.000 2
268.000 0
269.000 2
270.000 0
271.000 0
272.000 0
273.000 0
274.000 0
275.000 1
276.000 0
277.000 0
278.000 0
279.000 1
280.000 0
281.000 0
282.000 1
283.000 0
284.000 0
285.000 0
286.000 0
287.000 2
288.000 0
289.000 0
290.000 0
291.000 0
292.000 1
293.000 0
294.000 3
295.000 1
296.000 0
297.000 0
298.000 1
299.000 0
300.000 0
301.000 0
302.000 0
303.000 0
304.000 0
305.000 0
306.000 0
307.000 2
308.000 1
309.000 2
310.000 2
311.000 1
312.000 0
313.000 0
314.000 1
315.000 0
316.000 0
317.000 3
318.000 1
319.000 0
320.000 0
321.000 0
322.000 1
323.000 0
324.000 0
325.000 0
326.000 0
327.000 0
328.000 1
329.000 0
330.000 0
331.000 0
332.000 0
333.000 0
334.000 0
335.000 0
336.000 0
337.000 0
338.000 0
339.000 0
340.000 1
341.000 0
342.000 1
343.000 0
344.000 0
345.000 1
346.000 0
347.000 1
348.000 0
349.000 2
350.000 2
351.000 2
352.000 0
353.000 0
354.000 0
355.000 0
356.000 0
357.000 1
358.000 1
359.000 0
360.000 4
361.000 2
362.000 0
363.000 3
364.000 0
365.000 0
366.000 0
367.000 0
368.000 0
369.000 2
370.000 0
371.000 0
372.000 0
373.000 1
374.000 0
375.000 0
376.000 0
377.000 0
378.000 0
379.000 2
380.000 2
381.000 0
382.000 0
383.000 0
384.000 0
385.000 0
386.000 0
387.000 1
388.000 3
389.000 0
390.000 0
391.000 0
392.000 0
393.000 0
394.000 0
395.000 0
396.000 0
397.000 0
398.000 0
399.000 0
400.000 0
401.000 0
402.000 0
403.000 3
404.000 0
405.000 1
406.000 0
407.000 0
408.000 1
409.000 3
410.000 2
411.000 0
412.000 1
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 0
424.000 0
425.000 0
426.000 0
427.000 0
428.000 0
429.000 0
430.000 0
431.000 0
432.000 0
433.000 0
434.000 0
435.000 0
436.000 0
437.000 0
438.000 1
439.000 1
440.000 1
441.000 0
442.000 2
443.000 0
444.000 4
445.000 2
446.000 0
447.000 1
448.000 0
449.000 1
450.000 0
451.000 1
452.000 0
453.000 0
454.000 2
455.000 0
456.000 0
457.000 0
458.000 0
459.000 0
460.000 0
461.000 0
462.000 0
463.000 0
464.000 2
465.000 0
466.000 0
467.000 0
468.000 0
469.000 0
470.000 0
471.000 0
472.000 0
473.000 0
474.000 0
475.000 0
476.000 0
477.000 0
478.000 0
479.000 0
480.000 0
481.000 1
482.000 0
483.000 1
484.000 0
485.000 0
486.000 0
487.000 0
488.000 3
489.000 0
490.000 0
491.000 0
492.000 0
493.000 0
494.000 0
495.000 0
496.000 2
497.000 2
498.000 0
499.000 2
500.000 1
501.000 0
502.000 0
503.000 0
504.000 0
505.000 2
506.000 0
507.000 0
508.000 0
509.000 0
510.000 0
511.000 0
512.000 0
513.000 0
514.000 0
515.000 0
#Reported_Model_Average 0.362
#Overall_Average_Reported 0.362
List of bad contacts calculated by MAGE
/farm/software/bin/probe
: 5197:M 360 ARG 1HH1 :M 358 PRO 1HB : -0.806: 79
: 5197:M 360 ARG HE :M 363 VAL 1HG2 : -0.560: 65
: 5197:M 363 VAL CG2 :M 360 ARG 1HG : -0.507: 43
: 5197:M 360 ARG CG :M 363 VAL 1HG2 : -0.475: 43
: 5197:M 464 LEU 1HD2 :M 442 VAL 1HG2 : -0.775: 24
: 5197:M 464 LEU CD2 :M 442 VAL 1HG1 : -0.412: 24
: 5197:M 505 LEU 1HD2 :M 500 LEU 3HD1 : -0.723: 27
: 5197:M 481 TYR O :M 505 LEU HA : -0.425: 23
: 5197:M 369 LEU 1HD2 :M 347 VAL 1HG2 : -0.709: 40
: 5197:M 369 LEU 3HD2 :M 357 VAL 1HG1 : -0.411: 40
: 5197:M 409 GLU 1HB :M 388 ILE CG2 : -0.708: 54
: 5197:M 409 GLU 1HB :M 388 ILE 2HG2 : -0.488: 54
: 5197:M 409 GLU 1HB :M 388 ILE 1HG2 : -0.430: 54
: 5197:M 159 VAL 1HG2 :M 181 LEU 1HD2 : -0.701: 19
: 5197:M 496 ASP 2HB :M 499 TRP HD1 : -0.679: 34
: 5197:M 496 ASP 2HB :M 499 TRP CD1 : -0.578: 34
: 5197:M 208 ILE 2HG2 :M 322 GLU 1HB : -0.644: 24
: 5197:M 444 LEU 2HB :M 445 PRO 1HD : -0.631: 28
: 5197:M 444 LEU 2HB :M 445 PRO CD : -0.442: 28
: 5197:M 444 LEU 3HD2 :M 444 LEU HA : -0.408: 25
: 5197:M 350 PRO 1HD :M 349 LEU 2HB : -0.577: 35
: 5197:M 350 PRO CD :M 349 LEU 2HB : -0.508: 35
: 5197:M 483 ILE CD1 :M 488 LYS 1HG : -0.572: 50
: 5197:M 488 LYS 1HB :M 488 LYS 1HE : -0.440: 59
: 5197:M 361 CYS HA :M 403 SER 1HB : -0.561: 23
: 5197:M 403 SER OG :M 449 ARG 1HD : -0.539: 35
: 5197:M 361 CYS HA :M 403 SER CB : -0.406: 23
: 5197:M 245 HIS CE1 :M 250 ILE 2HG1 : -0.560: 30
: 5197:M 251 VAL 3HG2 :M 265 ALA 2HB : -0.552: 20
: 5197:M 266 ARG HE :M 269 VAL 1HG2 : -0.547: 66
: 5197:M 264 PRO 1HB :M 266 ARG CG : -0.461: 55
: 5197:M 269 VAL O :M 308 ILE 2HG2 : -0.415: 22
: 5197:M 328 THR 1HG2 :M 447 LYS 2HB : -0.534: 35
: 5197:M 497 ILE O :M 497 ILE 2HG1 : -0.531: 23
: 5197:M 294 ILE 1HD1 :M 317 HIS CE1 : -0.522: 58
: 5197:M 317 HIS CE1 :M 294 ILE CG1 : -0.446: 45
: 5197:M 294 ILE 2HG1 :M 317 HIS HE1 : -0.407: 45
: 5197:M 307 ASP 2HB :M 310 TRP HD1 : -0.521: 20
: 5197:M 307 ASP 2HB :M 310 TRP CD1 : -0.479: 20
: 5197:M 259 GLN OE1 :M 282 ARG NE : -0.515: 30
: 5197:M 287 GLU CD :M 287 GLU H : -0.502: 48
: 5197:M 408 GLU OE1 :M 387 ARG 2HD : -0.499: 62
: 5197:M 292 TYR OH :M 198 TYR HE1 : -0.494: 34
: 5197:M 253 VAL 1HG2 :M 275 LEU 1HD2 : -0.483: 19
: 5197:M 438 PRO 1HB :M 454 ALA 3HB : -0.472: 29
: 5197:M 454 ALA 2HB :M 440 VAL 3HG2 : -0.421: 29
: 5197:M 412 VAL 1HG1 :M 373 LEU 1HD2 : -0.469: 30
: 5197:M 193 GLU CD :M 193 GLU H : -0.461: 48
: 5197:M 351 ASN N :M 351 ASN 2HD2 : -0.455: 63
: 5197:M 165 GLN OE1 :M 188 ARG NE : -0.452: 32
: 5197:M 213 ASP 2HB :M 216 TRP HD1 : -0.449: 20
: 5197:M 213 ASP 2HB :M 216 TRP CD1 : -0.425: 20
: 5197:M 249 PRO 1HD :M 248 LYS HA : -0.446: 28
: 5197:M 200 ILE O :M 201 GLN CB : -0.438: 67
: 5197:M 345 VAL CG1 :M 410 LEU HG : -0.437: 25
: 5197:M 405 LEU 3HD1 :M 410 LEU 1HD2 : -0.430: 30
: 5197:M 451 VAL 3HG1 :M 439 ILE HB : -0.432: 34
: 5197:M 314 GLU 1HB :M 311 LEU O : -0.423: 28
: 5197:M 379 ILE CG1 :M 380 PRO 1HD : -0.422: 61
: 5197:M 309 SER 1HB :M 267 CYS HA : -0.422: 21
: 5197:M 309 SER CB :M 267 CYS HA : -0.413: 21
: 5197:M 380 PRO 1HD :M 379 ILE 2HG1 : -0.405: 61
: 5197:M 298 GLU HA :M 295 GLN O : -0.421: 56
: 5197:M 340 MET C :M 342 LYS H : -0.416: 71
: 5197:M 318 VAL 1HG1 :M 279 LEU 1HD2 : -0.407: 27
: 5197:M 172 ARG 2HG :M 170 PRO 1HB : -0.407: 39
#sum2 ::12.70 clashscore : 10.05 clashscore B<40
#summary::5197 atoms:4080 atoms B<40:582368 potential dots:36400.0 A^2:66 bumps:41 bumps B<40:1677 score
Output from PDB validation software
Summary from PDB validation
May. 10, 10:12:30 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 0.015 Angstroms
All covalent bonds lie within a 6.0*RMSD range about the
standard dictionary values.
*** Covalent Angle Values:
The RMS deviation for covalent angles relative to the standard
dictionary is 1.5 degrees.
The following table contains a list of the covalent bond angles
greater than 6.0*RMSD.
Deviation Residue Chain Sequence AT1 - AT2 - AT3 Bond Dictionary
Name ID Number Angle Value
--------------------------------------------------------------------------------
-9.7 ILE B 214 CG1 - CB - CG2 101.0 110.7
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 GLN 201 ) and Residue (A LYS 205 ) are not linked
Distance of C-N bond is 6.42
SEQUENCE WARNING: Residue (B GLN 201 ) and Residue (B GLU 204 ) are not linked
Distance of C-N bond is 5.07
SEQUENCE WARNING: Residue (C GLN 201 ) and Residue (C LYS 205 ) are not linked
Distance of C-N bond is 6.15
SEQUENCE WARNING: Residue (D ILE 200 ) and Residue (D LYS 205 ) are not linked
Distance of C-N bond is 6.29
==> The following residues have missing atoms:
RES MOD#C SEQ ATOMS
HIS( A 151) CG ND1 CD2 CE1 NE2
GLN( A 201) CG CD OE1 NE2
LYS( A 205) CG CD CE NZ
GLU( B 204) CG CD OE1 OE2
LYS( B 205) CG CD CE NZ
LYS( C 205) CG CD CE NZ
GLN( D 153) CG CD OE1 NE2
HR4694F_XRay_em_bcr3.pdb: Error: Z value is 16. It should be 4.