Chain sequence(s) |
A: PIPDLKVFEREGVQLNLSFIRPPENPALLLITITATNFSEGDVTHFICQAAVPKSLQLQLQAPSGNTVPARGGLPITQLFRILNPNKAPLRLKLRLTYDHFHQSVQEIFEVNNLPVESWQ
input PDB |
Selected Chain(s) | A |
Distance of aggregation | 10 Å |
FoldX usage | Yes |
Dynamic mode | No |
Automated mutations | No |
Mutated residues | LE739A |
Energy difference between WT (input) and mutated protein (by FoldX) | -0.566971 kcal/mol |
Downloads | Download all the data |
Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:00) [WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow to prevent this behavior) (00:00:00) [INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:00) [INFO] runJob: Creating pdb object from: input.pdb (00:00:00) [INFO] FoldX: Starting FoldX energy minimalization (00:00:00) [INFO] FoldX: Building mutant model (00:00:24) [INFO] FoldX: Starting FoldX energy minimalization (00:00:28) [INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:00:51) [INFO] Main: Simulation completed successfully. (00:00:51) |
The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.
residue index | residue name | chain | Aggrescan3D score | mutation |
---|---|---|---|---|
residue index | residue name | chain | Aggrescan3D score | |
666 | P | A | -0.4099 | |
667 | I | A | -0.3459 | |
668 | P | A | -0.9296 | |
669 | D | A | -1.9253 | |
670 | L | A | -1.7514 | |
671 | K | A | -2.2982 | |
672 | V | A | -1.6301 | |
673 | F | A | 0.0000 | |
674 | E | A | -3.3025 | |
675 | R | A | -3.3437 | |
676 | E | A | -3.0449 | |
677 | G | A | -2.0589 | |
678 | V | A | 0.0000 | |
679 | Q | A | -1.8204 | |
680 | L | A | 0.0000 | |
681 | N | A | -1.5143 | |
682 | L | A | 0.0000 | |
683 | S | A | -0.5473 | |
684 | F | A | 0.0000 | |
685 | I | A | 0.6467 | |
686 | R | A | -1.0098 | |
687 | P | A | -1.0606 | |
688 | P | A | -1.5372 | |
689 | E | A | -2.4891 | |
690 | N | A | -1.9578 | |
691 | P | A | -1.6878 | |
692 | A | A | -1.3930 | |
693 | L | A | 0.0000 | |
694 | L | A | 0.0000 | |
695 | L | A | 0.2976 | |
696 | I | A | 0.0000 | |
697 | T | A | -0.1032 | |
698 | I | A | 0.0000 | |
699 | T | A | -0.5845 | |
700 | A | A | 0.0000 | |
701 | T | A | -0.8930 | |
702 | N | A | 0.0000 | |
703 | F | A | -0.8217 | |
704 | S | A | -1.9136 | |
705 | E | A | -2.6783 | |
706 | G | A | -2.1435 | |
707 | D | A | -2.4754 | |
708 | V | A | 0.0000 | |
709 | T | A | -1.2741 | |
710 | H | A | -1.1632 | |
711 | F | A | 0.0000 | |
712 | I | A | -0.0056 | |
713 | C | A | 0.0000 | |
714 | Q | A | -0.7381 | |
715 | A | A | -0.7348 | |
716 | A | A | -1.1746 | |
717 | V | A | -1.2341 | |
718 | P | A | -1.5730 | |
719 | K | A | -1.9778 | |
720 | S | A | -1.7111 | |
721 | L | A | 0.0000 | |
722 | Q | A | -1.7420 | |
723 | L | A | -0.9886 | |
724 | Q | A | -1.2861 | |
725 | L | A | -0.3184 | |
726 | Q | A | -0.9073 | |
727 | A | A | -0.3919 | |
728 | P | A | -0.2662 | |
729 | S | A | -0.5737 | |
730 | G | A | -0.6431 | |
731 | N | A | -0.9378 | |
732 | T | A | -1.2889 | |
733 | V | A | 0.0000 | |
734 | P | A | -1.9622 | |
735 | A | A | -2.3621 | |
736 | R | A | -2.6653 | |
737 | G | A | -1.8450 | |
738 | G | A | -1.8648 | |
739 | E | A | -2.2897 | mutated: LE739A |
740 | P | A | -1.3216 | |
741 | I | A | 0.0000 | |
742 | T | A | -0.5405 | |
743 | Q | A | 0.0000 | |
744 | L | A | -0.1131 | |
745 | F | A | 0.0000 | |
746 | R | A | -1.1034 | |
747 | I | A | 0.0000 | |
748 | L | A | -0.9099 | |
749 | N | A | 0.0000 | |
750 | P | A | -1.6913 | |
751 | N | A | -2.3429 | |
752 | K | A | -2.7681 | |
753 | A | A | -2.0055 | |
754 | P | A | -1.3528 | |
755 | L | A | 0.0000 | |
756 | R | A | -2.5392 | |
757 | L | A | 0.0000 | |
758 | K | A | -1.8969 | |
759 | L | A | 0.0000 | |
760 | R | A | -1.1106 | |
761 | L | A | 0.0000 | |
762 | T | A | -0.8081 | |
763 | Y | A | 0.0000 | |
764 | D | A | -1.6131 | |
765 | H | A | 0.0000 | |
766 | F | A | -0.7481 | |
767 | H | A | -1.5284 | |
768 | Q | A | -1.7387 | |
769 | S | A | -1.4521 | |
770 | V | A | 0.0000 | |
771 | Q | A | -1.5672 | |
772 | E | A | -0.9800 | |
773 | I | A | 0.0327 | |
774 | F | A | -0.3647 | |
775 | E | A | -2.0187 | |
776 | V | A | 0.0000 | |
777 | N | A | -2.4540 | |
778 | N | A | -1.9146 | |
779 | L | A | -1.3206 | |
780 | P | A | -0.6428 | |
781 | V | A | 0.0286 | |
782 | E | A | -1.0815 | |
783 | S | A | 0.0000 | |
784 | W | A | -1.5627 | |
785 | Q | A | -2.0776 |