Detailed results of SGR209C_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 >>>----------+
| |
| SGR209C_XRay_em_bcr3_noHs_000.rin 0.0 530 residues |
| |
| Ramachandran plot: 94.5% core 5.5% allow 0.0% gener 0.0% disall |
| |
+| All Ramachandrans: 4 labelled residues (out of 504) |
+| Chi1-chi2 plots: 6 labelled residues (out of 336) |
JPEG image for all model Ramachandran Plot
Residue Properties for all models
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Model Secondary Structures from Procheck
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Ramachandran Plots for each residue
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Ramachandran analysis for each residue from Molprobity
Chi1-Chi2 Plots for each residue
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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
266 -0.21
267 0.62
271 0.35
272 -0.60
273 -1.00
274 -0.73
275 0.80
276 0.99
277 0.87
278 0.95
279 1.13
280 0.99
281 1.05
282 1.01
283 1.22
284 0.99
285 0.66
286 1.22
287 1.14
288 0.74
289 -1.33
290 -0.56
291 -1.49
292 -0.72
293 -1.02
294 -1.71
295 0.50
296 -0.72
297 -0.11
298 0.89
299 -0.23
300 0.85
301 0.74
302 1.01
303 0.91
304 1.17
305 0.99
306 1.08
307 1.09
308 0.65
309 0.37
310 1.14
311 0.24
312 1.05
313 0.62
314 -0.34
318 0.87
319 1.22
320 1.05
321 0.36
322 1.14
323 0.88
324 -0.11
325 -0.29
326 0.25
327 0.42
328 0.24
329 1.22
330 1.14
331 0.07
332 -0.60
333 -1.37
334 -2.36
335 0.86
336 -1.34
337 0.06
338 -1.38
339 -3.43
340 0.01
341 0.15
342 0.80
343 0.65
344 0.82
345 0.82
346 0.99
347 0.79
348 1.14
349 1.08
350 -1.65
351 -1.10
352 1.05
353 -0.65
354 -0.23
355 0.40
356 -0.25
357 0.03
358 0.28
359 0.68
360 0.10
361 0.81
362 1.23
363 0.29
364 -0.07
365 1.22
366 1.19
367 0.80
368 0.98
369 0.95
370 -0.41
371 -2.16
372 -0.75
373 0.82
374 0.42
375 0.54
376 0.99
377 0.30
378 1.01
379 0.99
380 0.63
381 0.57
382 0.29
383 0.11
384 0.97
385 0.87
386 1.17
387 0.82
388 1.32
389 -1.04
390 -1.56
391 -0.41
392 0.08
393 -1.17
394 -0.05
395 -0.69
396 -0.91
397 0.08
398 -0.92
411 -0.12
412 -0.35
413 0.04
417 -1.36
418 -1.94
419 -0.57
420 -0.02
421 0.36
422 0.63
423 0.86
424 0.95
425 0.15
426 0.80
427 0.73
428 1.01
429 1.22
430 0.80
431 0.36
432 1.18
433 0.96
434 0.90
435 -1.33
436 -0.69
437 -1.49
438 -0.90
439 -0.87
440 -0.67
441 0.13
442 0.49
443 -0.46
444 -2.78
445 -0.57
446 1.23
447 0.91
448 1.01
449 0.91
450 1.17
451 0.82
452 0.86
453 1.19
454 1.04
455 1.05
456 -0.10
457 -0.08
458 0.89
459 0.93
460 -0.63
464 1.08
465 1.22
466 0.81
467 0.90
468 0.84
469 0.99
470 -0.11
471 -0.42
472 0.11
473 0.00
474 0.82
475 0.79
476 1.01
477 0.37
478 -1.47
479 -0.75
480 -2.36
481 0.17
482 -1.34
483 0.20
484 -1.71
485 0.14
486 1.09
487 -0.14
488 0.58
489 1.13
490 0.87
491 0.88
492 0.99
493 1.22
494 0.36
495 0.86
496 -1.65
497 -0.78
498 0.81
499 -0.86
500 -0.28
501 0.40
502 -2.11
503 -1.19
504 1.14
505 0.72
506 0.87
507 0.22
508 -0.42
509 0.29
510 0.64
511 1.22
512 0.95
513 1.01
514 0.81
515 0.83
516 -2.11
517 -1.48
518 -0.50
519 0.09
520 0.47
521 0.65
522 1.13
523 0.30
524 0.40
525 0.99
526 0.63
527 0.57
528 0.29
529 0.11
530 0.85
531 0.72
532 1.17
533 0.82
534 0.64
535 -1.56
536 -1.41
537 -0.28
538 0.08
539 -1.27
540 -0.21
541 -0.48
542 -0.40
543 -0.27
544 -0.16
557 -3.52
558 -0.04
562 0.40
563 1.03
564 -0.15
565 -0.49
566 0.66
567 0.82
568 0.86
569 0.95
570 0.96
571 0.80
572 0.73
573 1.01
574 1.04
575 0.76
576 -0.37
577 1.22
578 0.67
579 0.90
580 -0.49
581 -0.69
582 -1.85
583 -0.72
584 -0.25
590 0.03
591 1.01
592 0.91
593 1.01
594 1.19
595 1.18
596 0.82
597 1.08
598 1.09
599 1.04
600 0.73
601 1.14
602 0.24
603 1.03
604 1.13
605 -0.34
609 0.68
610 1.22
611 0.81
612 0.90
613 0.84
614 0.88
615 -0.30
616 -0.42
617 0.11
618 0.42
619 1.13
620 1.22
621 1.01
622 0.37
623 -0.98
624 -0.75
625 -3.61
626 0.09
627 -1.34
628 0.20
629 -1.36
630 0.14
631 0.74
632 0.84
633 0.82
634 0.82
635 0.72
636 0.65
637 0.54
638 1.20
639 0.38
640 1.43
641 -1.33
642 -0.78
643 1.05
644 -0.61
645 -0.23
646 0.40
647 -2.94
648 -0.69
649 0.96
650 1.08
651 0.55
652 -0.04
653 1.23
654 0.95
655 0.64
656 1.20
657 1.19
658 0.80
659 0.98
660 0.83
661 -0.79
662 -2.16
663 -0.50
664 -0.30
665 0.42
666 0.65
667 1.13
668 0.98
669 1.01
670 0.66
671 0.99
672 0.57
673 0.17
674 -0.07
675 1.23
676 0.82
677 1.17
678 0.65
679 0.11
680 -1.56
681 -1.37
682 -0.41
683 0.08
684 -1.79
685 0.05
686 -0.48
687 0.15
688 0.10
689 -1.28
702 -0.19
703 0.42
707 0.45
708 -0.85
709 -1.14
710 0.25
711 0.09
712 0.82
713 0.87
714 -0.21
715 0.96
716 0.99
717 0.73
718 1.01
719 1.08
720 0.99
721 0.76
722 1.22
723 1.14
724 0.65
725 -0.25
726 -0.56
727 -1.85
728 -2.51
729 -0.56
730 -0.40
731 -0.11
732 -0.40
733 -1.12
734 -1.33
735 0.07
736 1.01
737 -1.38
738 0.71
739 1.19
740 1.18
741 0.99
742 0.86
743 1.09
744 0.65
745 0.57
746 1.14
747 0.24
748 1.03
749 0.93
750 -0.34
754 0.68
755 1.22
756 0.98
757 0.90
758 0.84
759 0.88
760 -0.52
761 -0.57
762 -0.29
763 -1.57
764 0.82
765 1.22
766 1.14
767 0.95
768 -0.53
769 -1.37
770 -3.61
771 -1.21
772 -1.34
773 -0.24
774 -2.71
775 1.11
776 0.88
777 0.84
778 0.82
779 0.99
780 1.08
781 0.65
782 0.65
783 0.79
784 1.14
785 1.39
786 -1.65
787 -1.10
788 0.89
789 -0.72
790 -0.23
791 0.40
792 -0.54
793 -2.11
794 0.60
795 0.86
796 0.55
797 -0.48
798 0.85
799 0.28
800 -0.07
801 1.22
802 1.19
803 0.80
804 0.57
805 1.19
806 -1.41
807 -1.48
808 -0.20
809 0.88
810 0.07
811 0.99
812 0.99
813 0.98
814 1.32
815 0.82
816 0.63
817 0.57
818 0.29
819 0.11
820 0.97
821 0.87
822 1.17
823 0.66
824 1.32
825 -1.04
826 -1.75
827 -0.41
828 -0.69
829 -1.49
830 0.24
831 -0.69
832 -0.40
833 0.12
834 -0.50
#Reported_Model_Average 0.211
#Overall_Average_Reported 0.211
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
265 -2.23
266 -0.85
267 0.23
268 0.00
270 -0.15
271 0.35
272 -0.60
273 -0.04
274 0.07
275 0.80
276 0.15
277 0.32
278 0.79
279 0.94
280 0.99
281 0.59
282 0.50
283 1.04
284 0.99
285 0.66
286 0.47
287 0.54
288 0.19
289 -0.85
290 0.07
291 -0.24
292 -0.35
293 -0.51
294 -1.12
295 -0.19
296 -0.35
297 -0.11
298 -0.13
299 0.07
300 0.61
301 0.81
302 0.78
303 0.10
304 0.47
305 0.94
306 0.79
307 0.53
308 -0.06
309 -0.35
310 0.87
311 -0.08
312 1.05
313 0.45
314 -0.12
315 0.37
317 0.10
318 0.26
319 0.40
320 -0.02
321 0.53
322 1.15
323 0.88
324 -0.11
325 0.42
326 0.80
327 0.42
328 -0.76
329 0.48
330 0.97
331 -0.72
332 -0.51
333 -0.34
334 -0.94
335 0.32
336 -1.34
337 0.21
338 -1.03
339 -1.73
340 -0.35
341 -0.05
342 0.80
343 -0.88
344 0.24
345 0.72
346 0.99
347 -1.14
348 0.86
349 1.21
350 -0.41
351 -1.11
352 1.05
353 -0.61
354 -0.23
355 0.40
356 0.48
357 0.20
358 0.50
359 0.37
360 0.45
361 0.74
362 0.69
363 0.33
364 0.08
365 0.56
366 0.78
367 0.85
368 1.05
369 0.12
370 -0.56
371 -2.16
372 -0.75
373 0.38
374 0.42
375 0.54
376 0.46
377 0.22
378 1.06
379 0.99
380 0.49
381 0.42
382 0.74
383 0.79
384 0.55
385 0.69
386 0.24
387 0.82
388 1.29
389 -0.84
390 -1.41
391 -0.41
392 0.23
393 -0.66
394 0.22
395 -0.62
396 -0.91
397 -0.13
398 -1.16
399 -0.43
410 -0.75
411 0.20
412 0.04
413 0.15
414 0.00
416 -1.18
417 -1.36
418 -1.94
419 0.15
420 0.18
421 0.36
422 0.11
423 1.04
424 1.03
425 0.44
426 0.80
427 0.61
428 0.49
429 1.04
430 0.80
431 0.36
432 0.44
433 0.52
434 0.31
435 -0.67
436 0.06
437 -1.14
438 -1.08
439 -0.96
440 -1.86
441 0.45
442 0.35
443 -0.46
444 -1.53
445 0.16
446 0.72
447 0.10
448 0.96
449 0.64
450 0.70
451 0.85
452 0.69
453 1.12
454 0.14
455 -0.02
456 0.04
457 -0.83
458 0.89
459 0.36
460 -0.39
461 1.21
463 0.51
464 0.42
465 0.40
466 0.47
467 0.62
468 0.96
469 0.94
470 -0.11
471 0.35
472 -0.30
473 0.00
474 0.67
475 0.26
476 0.90
477 -0.57
478 -0.39
479 -0.23
480 -0.94
481 -0.64
482 -1.34
483 0.56
484 -0.93
485 0.64
486 0.19
487 -0.19
488 0.58
489 -0.13
490 0.96
491 0.72
492 0.99
493 -1.05
494 0.11
495 0.11
496 -0.37
497 0.07
498 0.81
499 -0.72
500 -0.28
501 0.40
502 -0.87
503 -0.15
504 -0.03
505 -0.27
506 0.85
507 0.48
508 -0.35
509 0.00
510 0.74
511 0.90
512 0.66
513 0.94
514 -0.14
515 0.60
516 -0.73
517 -1.48
518 -0.50
519 0.04
520 0.47
521 0.65
522 0.74
523 0.35
524 0.75
525 0.99
526 0.49
527 -0.26
528 0.74
529 0.58
530 0.49
531 -0.60
532 -0.06
533 0.82
534 0.95
535 -0.51
536 -1.33
537 -0.28
538 0.32
539 -0.20
540 -0.54
541 0.01
542 -0.40
543 -0.35
544 -1.77
545 -0.39
556 -1.09
557 -1.75
558 0.19
559 0.00
561 -0.42
562 0.40
563 1.03
564 0.19
565 -0.06
566 0.66
567 -0.34
568 1.04
569 1.12
570 0.73
571 0.80
572 0.94
573 0.44
574 0.52
575 0.76
576 -0.37
577 0.47
578 0.77
579 0.52
580 -0.51
581 0.08
582 -0.90
583 -0.48
584 0.21
585 -1.86
589 -0.73
590 0.20
591 0.69
592 0.10
593 0.44
594 0.24
595 0.47
596 -0.05
597 0.93
598 0.98
599 0.30
600 -0.18
601 0.98
602 -0.39
603 1.03
604 0.65
605 -0.54
606 0.66
608 0.15
609 0.23
610 0.40
611 0.39
612 0.62
613 0.87
614 0.72
615 -0.30
616 0.44
617 0.38
618 0.42
619 0.85
620 0.48
621 0.81
622 -0.57
623 -0.15
624 -0.23
625 -1.57
626 -0.47
627 -1.34
628 0.45
629 -1.02
630 0.56
631 0.01
632 0.30
633 0.82
634 -0.20
635 0.67
636 0.78
637 0.54
638 -1.06
639 0.40
640 0.40
641 -0.21
642 -0.11
643 1.05
644 -0.77
645 -0.23
646 0.40
647 -1.28
648 -0.02
649 0.78
650 0.93
651 0.37
652 0.05
653 0.48
654 0.33
655 0.49
656 0.76
657 1.12
658 0.84
659 -0.05
660 0.06
661 -0.75
662 -2.16
663 -0.50
664 0.13
665 0.42
666 0.65
667 0.77
668 0.79
669 1.14
670 0.66
671 0.67
672 -0.26
673 0.56
674 -0.05
675 0.63
676 0.19
677 0.35
678 0.65
679 0.63
680 -0.77
681 -1.31
682 -0.41
683 0.32
684 -0.46
685 0.41
686 -0.04
687 0.15
688 -0.31
689 -0.44
690 0.41
701 -0.48
702 0.48
703 0.42
704 0.00
706 0.52
707 0.45
708 -0.85
709 -0.13
710 0.45
711 0.09
712 0.72
713 0.32
714 0.25
715 0.86
716 0.99
717 0.56
718 0.24
719 0.73
720 0.99
721 0.76
722 0.36
723 1.02
724 0.31
725 -0.13
726 0.18
727 -0.40
728 -1.54
729 -0.61
730 -1.53
731 -0.50
732 -0.43
733 -1.12
734 -0.39
735 0.22
736 0.88
737 -0.70
738 0.66
739 0.58
740 0.86
741 0.94
742 0.85
743 0.87
744 0.17
745 -0.26
746 0.84
747 -0.09
748 1.03
749 0.43
750 -0.30
751 0.66
753 0.51
754 0.16
755 0.40
756 0.79
757 0.61
758 0.78
759 0.72
760 -0.52
761 0.08
762 -0.16
763 -1.57
764 0.67
765 0.38
766 0.78
767 -0.02
768 0.35
769 -0.51
770 -1.79
771 -1.49
772 -1.34
773 -0.45
774 -1.32
775 1.05
776 0.42
777 -1.01
778 0.82
779 -0.78
780 0.84
781 0.78
782 0.65
783 -1.14
784 0.79
785 -0.06
786 -0.39
787 -0.45
788 0.89
789 -0.65
790 -0.23
791 0.40
792 0.34
793 -0.62
794 0.67
795 -0.76
796 0.55
797 -0.10
798 0.49
799 0.29
800 0.08
801 0.61
802 0.24
803 0.85
804 0.27
805 0.92
806 -1.06
807 -1.48
808 -0.20
809 0.61
810 0.07
811 0.99
812 0.67
813 0.56
814 1.25
815 0.82
816 0.63
817 0.58
818 0.49
819 0.38
820 0.56
821 0.58
822 0.24
823 0.66
824 1.29
825 -0.80
826 -1.50
827 -0.41
828 -0.16
829 -0.19
830 0.15
831 0.06
832 -0.40
833 -0.11
834 0.19
835 -0.43
#Reported_Model_Average 0.126
#Overall_Average_Reported 0.126
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
265 0.25
266 0.47
267 1.25
268 -0.25
269 0.91
270 0.47
271 0.44
272 1.10
273 -0.33
274 0.34
275 0.14
276 -1.14
277 0.28
278 0.08
279 0.51
280 0.14
281 0.66
282 0.81
283 0.47
284 0.49
285 0.49
286 0.52
287 0.24
288 0.10
289 0.93
290 1.40
291 0.28
292 -0.41
293 0.51
294 0.93
295 0.08
296 0.47
297 0.14
298 -0.43
299 0.17
300 -0.03
301 0.34
302 0.93
303 0.59
304 -0.43
305 0.77
306 -1.13
307 0.34
308 0.10
309 1.00
310 0.71
311 0.41
312 1.10
313 0.51
314 -0.54
315 0.17
316 0.91
317 0.08
318 0.28
319 1.40
320 1.00
321 0.71
322 0.71
323 1.06
324 0.49
325 0.08
326 0.59
327 0.25
328 1.06
329 0.52
330 0.71
331 0.47
332 -0.57
333 0.71
334 1.04
335 0.28
336 0.44
337 0.71
338 -0.54
339 -0.56
340 0.59
341 0.71
342 0.49
343 1.06
344 0.28
345 0.29
346 0.49
347 1.04
348 0.24
349 0.54
350 0.93
351 0.29
352 1.10
353 0.71
354 1.10
355 -0.07
356 0.34
357 0.17
358 -0.41
359 0.28
360 -0.46
361 -0.09
362 0.25
363 0.47
364 0.52
365 0.71
366 0.34
367 0.81
368 0.66
369 0.59
370 0.17
371 1.10
372 1.10
373 0.77
374 0.44
375 -0.25
376 1.06
377 1.00
378 0.51
379 0.49
380 1.06
381 1.00
382 0.51
383 0.17
384 -0.03
385 0.28
386 0.52
387 -0.25
388 0.51
389 -0.43
390 1.04
391 1.10
392 0.28
393 0.28
394 0.55
395 1.00
396 0.59
397 1.25
398 -1.14
399 0.71
410 -0.41
411 -0.03
412 0.47
413 -0.43
414 0.49
415 1.00
416 0.47
417 0.25
418 1.10
419 0.29
420 0.34
421 0.14
422 -1.14
423 0.28
424 0.08
425 0.51
426 0.14
427 1.00
428 0.81
429 0.47
430 0.49
431 0.49
432 0.52
433 0.24
434 0.25
435 0.93
436 1.04
437 -0.46
438 0.71
439 0.51
440 0.81
441 0.08
442 0.08
443 0.14
444 -0.43
445 0.59
446 -0.03
447 0.34
448 0.93
449 0.17
450 -0.43
451 0.77
452 -0.46
453 0.17
454 0.10
455 1.00
456 0.71
457 0.41
458 1.10
459 0.51
460 -0.54
461 0.17
462 0.91
463 0.08
464 0.28
465 1.40
466 1.00
467 0.71
468 0.71
469 1.06
470 0.49
471 0.08
472 0.59
473 0.25
474 1.06
475 1.14
476 0.71
477 0.47
478 0.10
479 1.04
480 1.04
481 0.28
482 0.44
483 0.71
484 -0.54
485 -0.26
486 0.59
487 0.71
488 0.49
489 1.06
490 0.28
491 0.29
492 0.49
493 1.40
494 0.71
495 0.54
496 0.93
497 0.77
498 1.10
499 0.71
500 1.10
501 0.64
502 0.34
503 0.17
504 -0.41
505 0.04
506 -0.46
507 -0.09
508 0.25
509 0.47
510 0.52
511 0.71
512 0.34
513 -0.28
514 1.00
515 0.17
516 0.34
517 1.10
518 1.10
519 1.06
520 0.44
521 -0.25
522 1.06
523 1.00
524 0.51
525 0.49
526 1.06
527 1.00
528 0.51
529 0.17
530 -0.03
531 -0.46
532 1.14
533 0.14
534 0.51
535 -0.43
536 1.04
537 1.10
538 0.28
539 -0.59
540 0.55
541 1.00
542 -0.07
543 1.25
544 -1.14
545 -0.44
556 -0.03
557 0.47
558 -0.43
559 -0.25
560 1.00
561 0.47
562 0.25
563 1.10
564 0.29
565 0.34
566 0.14
567 -1.14
568 0.28
569 0.08
570 0.51
571 0.14
572 1.00
573 0.93
574 0.08
575 0.49
576 0.49
577 0.52
578 0.71
579 0.25
580 0.93
581 1.40
582 -0.46
583 0.71
584 0.51
585 0.93
589 -0.43
590 0.17
591 -0.03
592 0.34
593 0.93
594 0.34
595 -0.43
596 0.77
597 -0.46
598 0.34
599 0.25
600 1.00
601 0.71
602 0.41
603 1.10
604 0.51
605 -0.54
606 0.17
607 0.91
608 0.08
609 0.28
610 1.40
611 1.00
612 0.71
613 0.71
614 1.06
615 0.49
616 0.08
617 0.59
618 0.25
619 0.77
620 0.52
621 0.71
622 0.47
623 0.10
624 1.04
625 1.04
626 0.28
627 0.44
628 0.71
629 -1.63
630 -0.26
631 0.59
632 0.71
633 0.49
634 1.06
635 0.28
636 0.29
637 0.49
638 1.40
639 0.71
640 0.54
641 0.93
642 0.77
643 1.10
644 0.71
645 1.10
646 0.64
647 0.34
648 0.17
649 -0.41
650 0.04
651 -0.46
652 -0.09
653 0.25
654 0.47
655 0.52
656 -0.84
657 0.34
658 -0.28
659 0.66
660 0.17
661 0.34
662 1.10
663 1.10
664 1.06
665 0.44
666 -0.25
667 1.06
668 1.00
669 0.51
670 0.49
671 1.06
672 0.66
673 0.51
674 0.17
675 -0.03
676 -0.46
677 1.14
678 0.14
679 0.51
680 -0.43
681 1.04
682 1.10
683 0.28
684 -0.59
685 0.55
686 1.00
687 -0.07
688 1.25
689 -0.68
690 -0.44
701 0.25
702 0.47
703 1.25
704 -0.25
705 1.00
706 0.47
707 0.44
708 1.10
709 0.29
710 0.34
711 0.49
712 0.29
713 0.28
714 0.08
715 0.51
716 -0.25
717 0.66
718 0.81
719 0.47
720 0.49
721 0.49
722 0.52
723 0.71
724 0.10
725 0.93
726 1.40
727 -0.46
728 0.71
729 0.51
730 0.81
731 0.08
732 0.47
733 0.14
734 -0.43
735 0.59
736 -0.03
737 0.59
738 0.93
739 0.59
740 -0.43
741 0.77
742 -1.13
743 0.34
744 0.10
745 1.00
746 0.71
747 0.41
748 1.10
749 0.51
750 -0.54
751 0.17
752 0.91
753 0.08
754 0.28
755 1.40
756 1.00
757 0.71
758 0.71
759 1.06
760 0.49
761 0.08
762 0.59
763 0.25
764 1.06
765 0.52
766 -0.88
767 0.47
768 0.10
769 1.04
770 1.04
771 0.04
772 0.44
773 1.04
774 -0.94
775 -0.26
776 0.59
777 0.24
778 0.49
779 1.06
780 0.28
781 0.29
782 0.49
783 1.04
784 0.71
785 0.54
786 0.93
787 0.77
788 1.10
789 0.71
790 1.10
791 0.59
792 0.34
793 0.17
794 -0.41
795 0.28
796 -0.46
797 -0.09
798 0.25
799 0.47
800 0.52
801 0.71
802 0.34
803 -0.54
804 1.00
805 0.17
806 0.34
807 1.10
808 1.10
809 0.77
810 0.44
811 -0.25
812 1.06
813 1.00
814 0.51
815 0.49
816 1.06
817 1.00
818 0.51
819 0.17
820 -0.03
821 0.28
822 1.14
823 -0.25
824 0.51
825 -0.43
826 1.04
827 1.10
828 0.28
829 0.28
830 0.55
831 1.00
832 0.59
833 1.25
834 0.29
835 0.71
#Reported_Model_Average 0.437
#Overall_Average_Reported 0.437
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
265 0.25
266 0.47
267 1.25
268 -0.25
269 0.91
270 0.47
271 0.44
272 1.10
273 -0.33
274 0.34
275 0.14
276 -1.14
277 0.28
278 0.08
279 0.51
280 0.14
281 0.66
282 0.81
283 0.47
284 0.49
285 0.49
286 0.52
287 0.24
288 0.10
289 0.93
290 1.40
291 0.28
292 -0.41
293 0.51
294 0.93
295 0.08
296 0.47
297 0.14
298 -0.43
299 0.17
300 -0.03
301 0.34
302 0.93
303 0.59
304 -0.43
305 0.77
306 -1.13
307 0.34
308 0.10
309 1.00
310 0.71
311 0.41
312 1.10
313 0.51
314 -0.54
315 0.17
316 0.91
317 0.08
318 0.28
319 1.40
320 1.00
321 0.71
322 0.71
323 1.06
324 0.49
325 0.08
326 0.59
327 0.25
328 1.06
329 0.52
330 0.71
331 0.47
332 -0.57
333 0.71
334 1.04
335 0.28
336 0.44
337 0.71
338 -0.54
339 -0.56
340 0.59
341 0.71
342 0.49
343 1.06
344 0.28
345 0.29
346 0.49
347 1.04
348 0.24
349 0.54
350 0.93
351 0.29
352 1.10
353 0.71
354 1.10
355 -0.07
356 0.34
357 0.17
358 -0.41
359 0.28
360 -0.46
361 -0.09
362 0.25
363 0.47
364 0.52
365 0.71
366 0.34
367 0.81
368 0.66
369 0.59
370 0.17
371 1.10
372 1.10
373 0.77
374 0.44
375 -0.25
376 1.06
377 1.00
378 0.51
379 0.49
380 1.06
381 1.00
382 0.51
383 0.17
384 -0.03
385 0.28
386 0.52
387 -0.25
388 0.51
389 -0.43
390 1.04
391 1.10
392 0.28
393 0.28
394 0.55
395 1.00
396 0.59
397 1.25
398 -1.14
399 0.71
410 -0.41
411 -0.03
412 0.47
413 -0.43
414 0.49
415 1.00
416 0.47
417 0.25
418 1.10
419 0.29
420 0.34
421 0.14
422 -1.14
423 0.28
424 0.08
425 0.51
426 0.14
427 1.00
428 0.81
429 0.47
430 0.49
431 0.49
432 0.52
433 0.24
434 0.25
435 0.93
436 1.04
437 -0.46
438 0.71
439 0.51
440 0.81
441 0.08
442 0.08
443 0.14
444 -0.43
445 0.59
446 -0.03
447 0.34
448 0.93
449 0.17
450 -0.43
451 0.77
452 -0.46
453 0.17
454 0.10
455 1.00
456 0.71
457 0.41
458 1.10
459 0.51
460 -0.54
461 0.17
462 0.91
463 0.08
464 0.28
465 1.40
466 1.00
467 0.71
468 0.71
469 1.06
470 0.49
471 0.08
472 0.59
473 0.25
474 1.06
475 1.14
476 0.71
477 0.47
478 0.10
479 1.04
480 1.04
481 0.28
482 0.44
483 0.71
484 -0.54
485 -0.26
486 0.59
487 0.71
488 0.49
489 1.06
490 0.28
491 0.29
492 0.49
493 1.40
494 0.71
495 0.54
496 0.93
497 0.77
498 1.10
499 0.71
500 1.10
501 0.64
502 0.34
503 0.17
504 -0.41
505 0.04
506 -0.46
507 -0.09
508 0.25
509 0.47
510 0.52
511 0.71
512 0.34
513 -0.28
514 1.00
515 0.17
516 0.34
517 1.10
518 1.10
519 1.06
520 0.44
521 -0.25
522 1.06
523 1.00
524 0.51
525 0.49
526 1.06
527 1.00
528 0.51
529 0.17
530 -0.03
531 -0.46
532 1.14
533 0.14
534 0.51
535 -0.43
536 1.04
537 1.10
538 0.28
539 -0.59
540 0.55
541 1.00
542 -0.07
543 1.25
544 -1.14
545 -0.44
556 -0.03
557 0.47
558 -0.43
559 -0.25
560 1.00
561 0.47
562 0.25
563 1.10
564 0.29
565 0.34
566 0.14
567 -1.14
568 0.28
569 0.08
570 0.51
571 0.14
572 1.00
573 0.93
574 0.08
575 0.49
576 0.49
577 0.52
578 0.71
579 0.25
580 0.93
581 1.40
582 -0.46
583 0.71
584 0.51
585 0.93
589 -0.43
590 0.17
591 -0.03
592 0.34
593 0.93
594 0.34
595 -0.43
596 0.77
597 -0.46
598 0.34
599 0.25
600 1.00
601 0.71
602 0.41
603 1.10
604 0.51
605 -0.54
606 0.17
607 0.91
608 0.08
609 0.28
610 1.40
611 1.00
612 0.71
613 0.71
614 1.06
615 0.49
616 0.08
617 0.59
618 0.25
619 0.77
620 0.52
621 0.71
622 0.47
623 0.10
624 1.04
625 1.04
626 0.28
627 0.44
628 0.71
629 -1.63
630 -0.26
631 0.59
632 0.71
633 0.49
634 1.06
635 0.28
636 0.29
637 0.49
638 1.40
639 0.71
640 0.54
641 0.93
642 0.77
643 1.10
644 0.71
645 1.10
646 0.64
647 0.34
648 0.17
649 -0.41
650 0.04
651 -0.46
652 -0.09
653 0.25
654 0.47
655 0.52
656 -0.84
657 0.34
658 -0.28
659 0.66
660 0.17
661 0.34
662 1.10
663 1.10
664 1.06
665 0.44
666 -0.25
667 1.06
668 1.00
669 0.51
670 0.49
671 1.06
672 0.66
673 0.51
674 0.17
675 -0.03
676 -0.46
677 1.14
678 0.14
679 0.51
680 -0.43
681 1.04
682 1.10
683 0.28
684 -0.59
685 0.55
686 1.00
687 -0.07
688 1.25
689 -0.68
690 -0.44
701 0.25
702 0.47
703 1.25
704 -0.25
705 1.00
706 0.47
707 0.44
708 1.10
709 0.29
710 0.34
711 0.49
712 0.29
713 0.28
714 0.08
715 0.51
716 -0.25
717 0.66
718 0.81
719 0.47
720 0.49
721 0.49
722 0.52
723 0.71
724 0.10
725 0.93
726 1.40
727 -0.46
728 0.71
729 0.51
730 0.81
731 0.08
732 0.47
733 0.14
734 -0.43
735 0.59
736 -0.03
737 0.59
738 0.93
739 0.59
740 -0.43
741 0.77
742 -1.13
743 0.34
744 0.10
745 1.00
746 0.71
747 0.41
748 1.10
749 0.51
750 -0.54
751 0.17
752 0.91
753 0.08
754 0.28
755 1.40
756 1.00
757 0.71
758 0.71
759 1.06
760 0.49
761 0.08
762 0.59
763 0.25
764 1.06
765 0.52
766 -0.88
767 0.47
768 0.10
769 1.04
770 1.04
771 0.04
772 0.44
773 1.04
774 -0.94
775 -0.26
776 0.59
777 0.24
778 0.49
779 1.06
780 0.28
781 0.29
782 0.49
783 1.04
784 0.71
785 0.54
786 0.93
787 0.77
788 1.10
789 0.71
790 1.10
791 0.59
792 0.34
793 0.17
794 -0.41
795 0.28
796 -0.46
797 -0.09
798 0.25
799 0.47
800 0.52
801 0.71
802 0.34
803 -0.54
804 1.00
805 0.17
806 0.34
807 1.10
808 1.10
809 0.77
810 0.44
811 -0.25
812 1.06
813 1.00
814 0.51
815 0.49
816 1.06
817 1.00
818 0.51
819 0.17
820 -0.03
821 0.28
822 1.14
823 -0.25
824 0.51
825 -0.43
826 1.04
827 1.10
828 0.28
829 0.28
830 0.55
831 1.00
832 0.59
833 1.25
834 0.29
835 0.71
#Reported_Model_Average 0.437
#Overall_Average_Reported 0.437
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
265.000 8
266.000 0
267.000 1
268.000 0
269.000 1
270.000 0
271.000 0
272.000 0
273.000 1
274.000 0
275.000 0
276.000 0
277.000 1
278.000 3
279.000 3
280.000 0
281.000 1
282.000 3
283.000 1
284.000 0
285.000 0
286.000 1
287.000 2
288.000 0
289.000 0
290.000 0
291.000 5
292.000 1
293.000 0
294.000 0
295.000 4
296.000 1
297.000 3
298.000 0
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 0
308.000 1
309.000 0
310.000 5
311.000 0
312.000 0
313.000 0
314.000 1
315.000 0
316.000 7
317.000 1
318.000 0
319.000 4
320.000 2
321.000 2
322.000 0
323.000 1
324.000 0
325.000 0
326.000 0
327.000 0
328.000 0
329.000 0
330.000 0
331.000 0
332.000 0
333.000 0
334.000 0
335.000 0
336.000 1
337.000 2
338.000 1
339.000 1
340.000 1
341.000 1
342.000 0
343.000 2
344.000 1
345.000 0
346.000 0
347.000 0
348.000 1
349.000 3
350.000 0
351.000 0
352.000 0
353.000 0
354.000 0
355.000 0
356.000 0
357.000 0
358.000 0
359.000 0
360.000 0
361.000 0
362.000 0
363.000 0
364.000 1
365.000 0
366.000 1
367.000 0
368.000 2
369.000 0
370.000 1
371.000 0
372.000 0
373.000 1
374.000 1
375.000 0
376.000 1
377.000 0
378.000 0
379.000 0
380.000 0
381.000 1
382.000 2
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 0
395.000 0
396.000 0
397.000 0
398.000 0
399.000 0
400.000 0
401.000 0
402.000 0
403.000 0
404.000 0
405.000 0
406.000 0
407.000 0
408.000 0
409.000 0
410.000 2
411.000 0
412.000 1
413.000 0
414.000 0
415.000 2
416.000 1
417.000 1
418.000 1
419.000 1
420.000 0
421.000 0
422.000 1
423.000 0
424.000 0
425.000 5
426.000 0
427.000 2
428.000 0
429.000 1
430.000 0
431.000 0
432.000 0
433.000 1
434.000 0
435.000 0
436.000 1
437.000 1
438.000 4
439.000 0
440.000 3
441.000 3
442.000 7
443.000 1
444.000 2
445.000 0
446.000 0
447.000 0
448.000 0
449.000 2
450.000 0
451.000 0
452.000 2
453.000 0
454.000 0
455.000 0
456.000 5
457.000 0
458.000 0
459.000 0
460.000 0
461.000 0
462.000 11
463.000 2
464.000 0
465.000 3
466.000 2
467.000 0
468.000 0
469.000 0
470.000 0
471.000 0
472.000 0
473.000 0
474.000 3
475.000 2
476.000 0
477.000 0
478.000 3
479.000 1
480.000 0
481.000 1
482.000 1
483.000 0
484.000 1
485.000 0
486.000 1
487.000 1
488.000 0
489.000 3
490.000 1
491.000 1
492.000 0
493.000 1
494.000 0
495.000 3
496.000 0
497.000 1
498.000 0
499.000 1
500.000 0
501.000 0
502.000 0
503.000 0
504.000 0
505.000 0
506.000 0
507.000 0
508.000 0
509.000 0
510.000 1
511.000 0
512.000 0
513.000 0
514.000 2
515.000 0
516.000 0
517.000 0
518.000 0
519.000 1
520.000 1
521.000 0
522.000 2
523.000 0
524.000 0
525.000 0
526.000 0
527.000 2
528.000 0
529.000 0
530.000 0
531.000 1
532.000 0
533.000 0
534.000 0
535.000 0
536.000 0
537.000 0
538.000 0
539.000 0
540.000 0
541.000 0
542.000 0
543.000 1
544.000 0
545.000 0
546.000 0
547.000 0
548.000 0
549.000 0
550.000 0
551.000 0
552.000 0
553.000 0
554.000 0
555.000 0
556.000 0
557.000 0
558.000 0
559.000 0
560.000 2
561.000 0
562.000 0
563.000 0
564.000 1
565.000 0
566.000 0
567.000 2
568.000 0
569.000 1
570.000 2
571.000 0
572.000 0
573.000 0
574.000 0
575.000 0
576.000 0
577.000 0
578.000 0
579.000 0
580.000 0
581.000 1
582.000 1
583.000 0
584.000 0
585.000 1
586.000 0
587.000 0
588.000 0
589.000 0
590.000 1
591.000 0
592.000 0
593.000 1
594.000 0
595.000 0
596.000 2
597.000 0
598.000 0
599.000 0
600.000 0
601.000 2
602.000 0
603.000 0
604.000 0
605.000 0
606.000 0
607.000 10
608.000 0
609.000 0
610.000 3
611.000 3
612.000 0
613.000 0
614.000 0
615.000 0
616.000 0
617.000 0
618.000 0
619.000 0
620.000 2
621.000 0
622.000 0
623.000 0
624.000 0
625.000 0
626.000 1
627.000 1
628.000 1
629.000 0
630.000 0
631.000 0
632.000 1
633.000 0
634.000 2
635.000 0
636.000 0
637.000 0
638.000 2
639.000 0
640.000 3
641.000 0
642.000 0
643.000 0
644.000 1
645.000 0
646.000 0
647.000 0
648.000 0
649.000 0
650.000 0
651.000 0
652.000 0
653.000 0
654.000 0
655.000 1
656.000 0
657.000 0
658.000 0
659.000 2
660.000 0
661.000 0
662.000 0
663.000 0
664.000 1
665.000 1
666.000 0
667.000 1
668.000 0
669.000 0
670.000 0
671.000 1
672.000 0
673.000 0
674.000 0
675.000 0
676.000 0
677.000 0
678.000 0
679.000 0
680.000 0
681.000 0
682.000 0
683.000 0
684.000 0
685.000 0
686.000 0
687.000 0
688.000 0
689.000 0
690.000 0
691.000 0
692.000 0
693.000 0
694.000 0
695.000 0
696.000 0
697.000 0
698.000 0
699.000 0
700.000 0
701.000 0
702.000 0
703.000 1
704.000 0
705.000 0
706.000 0
707.000 0
708.000 0
709.000 0
710.000 0
711.000 0
712.000 0
713.000 0
714.000 1
715.000 3
716.000 0
717.000 1
718.000 1
719.000 1
720.000 0
721.000 0
722.000 0
723.000 2
724.000 0
725.000 0
726.000 0
727.000 5
728.000 1
729.000 0
730.000 1
731.000 0
732.000 3
733.000 0
734.000 0
735.000 0
736.000 0
737.000 0
738.000 0
739.000 2
740.000 0
741.000 0
742.000 1
743.000 0
744.000 0
745.000 0
746.000 3
747.000 0
748.000 0
749.000 0
750.000 0
751.000 0
752.000 0
753.000 2
754.000 0
755.000 2
756.000 0
757.000 0
758.000 0
759.000 2
760.000 0
761.000 0
762.000 0
763.000 0
764.000 1
765.000 3
766.000 0
767.000 0
768.000 1
769.000 1
770.000 0
771.000 0
772.000 0
773.000 1
774.000 0
775.000 0
776.000 0
777.000 0
778.000 0
779.000 2
780.000 0
781.000 0
782.000 0
783.000 0
784.000 0
785.000 6
786.000 0
787.000 0
788.000 0
789.000 0
790.000 0
791.000 0
792.000 0
793.000 1
794.000 0
795.000 1
796.000 0
797.000 0
798.000 0
799.000 0
800.000 1
801.000 0
802.000 0
803.000 0
804.000 2
805.000 0
806.000 0
807.000 1
808.000 0
809.000 3
810.000 2
811.000 1
812.000 1
813.000 1
814.000 0
815.000 0
816.000 0
817.000 1
818.000 0
819.000 0
820.000 0
821.000 0
822.000 2
823.000 0
824.000 0
825.000 0
826.000 0
827.000 0
828.000 1
829.000 0
830.000 0
831.000 0
832.000 0
833.000 0
834.000 0
835.000 0
#Reported_Model_Average 0.546
#Overall_Average_Reported 0.546
List of bad contacts calculated by MAGE
/farm/software/bin/probe
: 8733:M 610 PHE 2HB :M 607 MET 3HE : -1.062: 232
: 8733:M 607 MET 2HE :M 611 VAL 3HG2 : -0.988: 232
: 8733:M 611 VAL 3HG2 :M 607 MET CE : -0.884: 232
: 8733:M 607 MET 2HE :M 611 VAL CG2 : -0.848: 232
: 8733:M 607 MET 3HE :M 610 PHE CB : -0.699: 232
: 8733:M 607 MET CE :M 607 MET O : -0.582: 232
: 8733:M 610 PHE HD2 :M 607 MET CE : -0.514: 232
: 8733:M 607 MET O :M 607 MET 2HE : -0.439: 232
: 8733:M 462 MET 3HE :M 465 PHE 2HB : -1.049: 163
: 8733:M 462 MET 2HE :M 466 VAL 3HG2 : -0.975: 163
: 8733:M 462 MET CE :M 466 VAL 3HG2 : -0.964: 163
: 8733:M 462 MET CE :M 462 MET O : -0.630: 163
: 8733:M 465 PHE 2HB :M 462 MET CE : -0.583: 163
: 8733:M 462 MET 3HE :M 465 PHE CB : -0.501: 163
: 8733:M 462 MET 2HE :M 462 MET O : -0.498: 163
: 8733:M 462 MET O :M 462 MET 3HE : -0.411: 163
: 8733:M 297 ALA H :M 295 THR 2HG2 : -1.033: 47
: 8733:M 295 THR 2HG2 :M 297 ALA N : -0.599: 47
: 8733:M 297 ALA H :M 295 THR CG2 : -0.556: 47
: 8733:M 296 LYS N :M 295 THR CG2 : -0.454: 47
: 8733:M 316 MET 3HE :M 319 PHE 2HB : -1.025: 226
: 8733:M 320 VAL 3HG2 :M 316 MET 2HE : -0.984: 226
: 8733:M 320 VAL 3HG2 :M 316 MET CE : -0.969: 226
: 8733:M 316 MET 3HE :M 319 PHE CB : -0.737: 226
: 8733:M 323 LEU 1HD1 :M 319 PHE CZ : -0.519: 13
: 8733:M 316 MET CE :M 316 MET O : -0.517: 226
: 8733:M 319 PHE HD2 :M 316 MET CE : -0.484: 226
: 8733:M 456 ARG 2HH2 :M 425 ASN 2HD2 : -0.915: 38
: 8733:M 425 ASN ND2 :M 456 ARG 2HH2 : -0.844: 38
: 8733:M 425 ASN 2HD2 :M 456 ARG NH2 : -0.636: 38
: 8733:M 441 THR 2HG2 :M 443 ALA H : -0.617: 81
: 8733:M 449 SER HA :M 442 LYS 1HB : -0.611: 65
: 8733:M 442 LYS 2HB :M 452 GLU OE2 : -0.553: 65
: 8733:M 425 ASN ND2 :M 456 ARG NH2 : -0.530: 38
: 8733:M 442 LYS N :M 441 THR 2HG2 : -0.501: 81
: 8733:M 449 SER 2HB :M 442 LYS O : -0.462: 63
: 8733:M 452 GLU O :M 456 ARG 1HB : -0.460: 37
: 8733:M 442 LYS 2HE :M 442 LYS 1HB : -0.459: 65
: 8733:M 422 LEU O :M 425 ASN 1HB : -0.432: 37
: 8733:M 442 LYS N :M 441 THR CG2 : -0.421: 81
: 8733:M 265 GLN HA :M 265 GLN 2HE2 : -0.909: 75
: 8733:M 265 GLN HA :M 265 GLN NE2 : -0.611: 75
: 8733:M 265 GLN 2HE2 :M 265 GLN CA : -0.450: 75
: 8733:M 265 GLN NE2 :M 265 GLN CA : -0.421: 75
: 8733:M 438 ARG 2HH1 :M 478 GLN 1HE2 : -0.853: 22
: 8733:M 474 LEU 3HD1 :M 444 TYR CZ : -0.675: 77
: 8733:M 438 ARG NH2 :M 440 ILE 1HD1 : -0.616: 35
: 8733:M 478 GLN 1HE2 :M 438 ARG NH1 : -0.585: 22
: 8733:M 438 ARG 2HH1 :M 478 GLN NE2 : -0.554: 22
: 8733:M 444 TYR OH :M 474 LEU 3HD1 : -0.500: 78
: 8733:M 440 ILE CD1 :M 474 LEU 1HD2 : -0.485: 35
: 8733:M 440 ILE 2HD1 :M 436 PHE CB : -0.444: 35
: 8733:M 727 GLU OE1 :M 785 HIS HE1 : -0.825: 20
: 8733:M 785 HIS HD2 :M 765 TYR OH : -0.781: 18
: 8733:M 727 GLU O :M 340 SER 2HB : -0.693: 28
: 8733:M 765 TYR HH :M 785 HIS HD2 : -0.645: 18
: 8733:M 723 ARG O :M 727 GLU HA : -0.531: 16
: 8733:M 785 HIS HD2 :M 765 TYR CZ : -0.529: 18
: 8733:M 723 ARG 1HH1 :M 719 LYS 1HG : -0.500: 52
: 8733:M 785 HIS HE1 :M 727 GLU CD : -0.441: 20
: 8733:M 727 GLU OE1 :M 785 HIS CE1 : -0.401: 20
: 8733:M 640 HIS HD2 :M 620 TYR OH : -0.807: 11
: 8733:M 582 GLU OE2 :M 640 HIS HE1 : -0.684: 14
: 8733:M 640 HIS HD2 :M 620 TYR HH : -0.630: 11
: 8733:M 570 ASN ND2 :M 601 ARG 2HH1 : -0.802: 45
: 8733:M 570 ASN 2HD2 :M 601 ARG 2HH2 : -0.449: 43
: 8733:M 497 LEU 2HD2 :M 531 GLU 1HG : -0.784: 28
: 8733:M 804 VAL 2HG2 :M 812 LEU 1HB : -0.763: 39
: 8733:M 800 TYR O :M 804 VAL 3HG2 : -0.598: 39
: 8733:M 427 VAL 1HG1 :M 415 MET 1HG : -0.751: 44
: 8733:M 427 VAL CG1 :M 415 MET 1HG : -0.728: 44
: 8733:M 655 TYR O :M 659 VAL 3HG2 : -0.739: 34
: 8733:M 667 LEU 3HD1 :M 659 VAL 2HG2 : -0.430: 34
: 8733:M 287 ARG 2HH1 :M 283 LYS 1HE : -0.737: 72
: 8733:M 291 GLU OE2 :M 349 HIS HE1 : -0.703: 36
: 8733:M 291 GLU O :M 292 ARG 2HG : -0.601: 44
: 8733:M 291 GLU OE2 :M 349 HIS CE1 : -0.546: 36
: 8733:M 287 ARG O :M 291 GLU HA : -0.527: 33
: 8733:M 291 GLU CD :M 349 HIS HE1 : -0.488: 37
: 8733:M 746 ARG 2HH2 :M 715 ASN ND2 : -0.732: 18
: 8733:M 746 ARG 2HH2 :M 715 ASN 2HD2 : -0.658: 18
: 8733:M 715 ASN ND2 :M 746 ARG 2HH1 : -0.526: 20
: 8733:M 495 HIS HD2 :M 475 TYR OH : -0.727: 14
: 8733:M 495 HIS HD2 :M 475 TYR HH : -0.666: 14
: 8733:M 437 GLU OE2 :M 495 HIS HE1 : -0.643: 9
: 8733:M 510 TYR O :M 514 VAL 3HG2 : -0.707: 39
: 8733:M 489 LEU 3HD2 :M 489 LEU C : -0.566: 13
: 8733:M 514 VAL 2HG2 :M 522 LEU 1HB : -0.561: 39
: 8733:M 522 LEU 1HD2 :M 489 LEU HA : -0.425: 16
: 8733:M 282 ILE 1HG1 :M 278 LYS O : -0.663: 22
: 8733:M 279 ASN ND2 :M 310 ARG 2HH1 : -0.599: 16
: 8733:M 279 ASN 2HD2 :M 310 ARG 2HH2 : -0.508: 22
: 8733:M 310 ARG 2HH2 :M 279 ASN ND2 : -0.494: 22
: 8733:M 278 LYS 1HE :M 310 ARG O : -0.493: 23
: 8733:M 282 ILE 2HG2 :M 286 TYR CE2 : -0.423: 20
: 8733:M 269 MET 3HE :M 282 ILE 1HD1 : -0.418: 24
: 8733:M 310 ARG 2HG :M 278 LYS 2HD : -0.416: 21
: 8733:M 382 ASP OD2 :M 321 ARG NH2 : -0.623: 21
: 8733:M 321 ARG 2HH2 :M 382 ASP CG : -0.582: 21
: 8733:M 664 LEU 2HB :M 665 PRO 2HD : -0.610: 9
: 8733:M 768 GLN NE2 :M 728 ARG 1HH2 : -0.599: 52
: 8733:M 527 VAL 3HG1 :M 463 LYS 2HG : -0.585: 22
: 8733:M 527 VAL 3HG1 :M 463 LYS CG : -0.437: 22
: 8733:M 499 ARG O :M 493 PHE 2HB : -0.568: 35
: 8733:M 644 ARG O :M 638 PHE 2HB : -0.560: 34
: 8733:M 638 PHE CE1 :M 671 LEU 1HD2 : -0.417: 19
: 8733:M 337 PHE CE1 :M 336 PRO 1HG : -0.552: 27
: 8733:M 341 ARG 2HB :M 337 PHE 2HB : -0.407: 23
: 8733:M 717 VAL 2HG2 :M 703 TYR 2HB : -0.545: 20
: 8733:M 773 PHE HE1 :M 769 PHE HA : -0.534: 34
: 8733:M 732 LYS 1HB :M 739 SER HA : -0.526: 60
: 8733:M 739 SER 2HB :M 732 LYS O : -0.520: 66
: 8733:M 732 LYS 2HB :M 742 GLU OE2 : -0.490: 60
: 8733:M 490 GLU 2HG :M 486 SER O : -0.519: 17
: 8733:M 779 LEU C :M 779 LEU 3HD2 : -0.519: 23
: 8733:M 730 ILE 1HG1 :M 764 LEU 1HD2 : -0.517: 40
: 8733:M 344 GLU O :M 348 ARG 2HG : -0.516: 30
: 8733:M 590 SER OG :M 593 ILE 1HG1 : -0.506: 35
: 8733:M 795 GLU 1HG :M 793 SER OG : -0.504: 63
: 8733:M 366 SER O :M 370 SER 2HB : -0.503: 34
: 8733:M 567 LEU H :M 567 LEU 2HD1 : -0.492: 53
: 8733:M 491 LEU 3HD1 :M 479 PHE HD1 : -0.485: 14
: 8733:M 569 LYS 1HG :M 560 MET 1HE : -0.484: 175
: 8733:M 560 MET CE :M 564 LEU 2HD1 : -0.445: 175
: 8733:M 520 PRO 2HD :M 519 LEU 2HB : -0.482: 15
: 8733:M 277 GLU 2HG :M 273 LEU 3HD1 : -0.474: 22
: 8733:M 809 LEU O :M 813 VAL 3HG2 : -0.473: 17
: 8733:M 828 GLU OE2 :M 753 LYS 1HE : -0.473: 38
: 8733:M 809 LEU 2HB :M 810 PRO 2HD : -0.452: 19
: 8733:M 810 PRO CD :M 809 LEU N : -0.418: 13
: 8733:M 817 VAL 3HG1 :M 753 LYS 2HG : -0.410: 16
: 8733:M 364 TYR O :M 368 VAL 3HG2 : -0.471: 16
: 8733:M 368 VAL 2HG2 :M 376 LEU 1HB : -0.408: 16
: 8733:M 759 LEU 1HD1 :M 755 PHE CE2 : -0.469: 13
: 8733:M 755 PHE CZ :M 759 LEU 1HD1 : -0.453: 13
: 8733:M 418 GLY 1HA :M 417 PRO HA : -0.460: 56
: 8733:M 481 GLU 2HB :M 482 PRO 2HD : -0.455: 10
: 8733:M 627 PRO 2HD :M 626 GLU 2HB : -0.454: 12
: 8733:M 419 LEU HG :M 416 LYS O : -0.453: 43
: 8733:M 429 LYS 2HD :M 433 ARG NH2 : -0.443: 54
: 8733:M 412 LYS 2HD :M 543 TYR CE2 : -0.442: 49
: 8733:M 281 VAL 2HG2 :M 267 TYR 2HB : -0.436: 18
: 8733:M 308 GLN 2HB :M 314 ILE 1HG1 : -0.434: 7
: 8733:M 596 LEU 2HD1 :M 596 LEU HA : -0.432: 22
: 8733:M 374 PRO 2HD :M 373 LEU 2HB : -0.429: 16
: 8733:M 628 PHE 2HB :M 632 ARG 2HB : -0.423: 11
: 8733:M 381 VAL 3HG1 :M 317 LYS 2HG : -0.420: 27
: 8733:M 822 TYR CD1 :M 822 TYR C : -0.419: 13
: 8733:M 487 ARG H :M 484 ILE 2HG1 : -0.418: 15
: 8733:M 634 LEU C :M 634 LEU 3HD2 : -0.415: 9
: 8733:M 338 ILE O :M 339 ASN C : -0.409: 22
: 8733:M 718 ILE 1HG1 :M 714 LYS O : -0.407: 17
: 8733:M 343 LEU 2HD1 :M 343 LEU C : -0.406: 18
: 8733:M 807 GLY 2HA :M 811 ALA 2HB : -0.403: 20
: 8733:M 410 ARG HA :M 410 ARG 1HD : -0.401: 69
: 8733:M 581 PHE CG :M 585 ILE 2HD1 : -0.400: 31
#sum2 ::17.86 clashscore : 12.51 clashscore B<40
#summary::8733 atoms:7755 atoms B<40:973247 potential dots:60830.0 A^2:156 bumps:97 bumps B<40:2854 score
Output from PDB validation software
Summary from PDB validation
May. 10, 20:54:04 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 0.008 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
------------------------------------------------------------------------
0.060 PRO A 374 CB - CG 1.552 1.492
0.055 ALA C 268 CA - CB 1.576 1.521
0.060 PRO C 374 CB - CG 1.552 1.492
*** Covalent Angle Values:
The RMS deviation for covalent angles relative to the standard
dictionary is 1.0 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
--------------------------------------------------------------------------------
-10.3 PRO A 336 C - N - CA 112.3 122.6
-6.1 ILE B 294 N - CA - C 105.1 111.2
-7.0 PRO B 336 C - N - CA 115.6 122.6
-6.1 PRO B 374 C - N - CA 116.5 122.6
8.3 LEU D 343 CA - CB - CG 124.6 116.3
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 (C ILE 294 ) and Residue (C TYR 298 ) are not linked
Distance of C-N bond is 7.05
SGR209C_XRay_em_bcr3.pdb: Error: Z value is 8. It should be 4.
SGR209C_XRay_em_bcr3.pdb: Error: Record (RES: HOH CHNID: C SSEQ: 226) in Token 'SITE' can not be found in coordinates
SGR209C_XRay_em_bcr3.pdb: Error: Record (RES: HOH CHNID: C SSEQ: 436) in Token 'SITE' can not be found in coordinates