Project name: hr2.nt96 [mutate: PA900R, IA901N, YA902C, VA903Q, WA904E, SA905A]

Status: done

submitted: 2018-10-28 06:27:41, status changed: 2018-10-28 06:40:16
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Chain sequence(s) A: KEIREKSEKFAFQAEVNRMMKLIINSLYKNKEIFLRELISNASDALDKIRLMSLTDDQALAANEELTIKIKCDKEKNMLHITDTGIGMTKEELVKNLGTIAKSGTSEFLSKLTEAQEDGQSTSELIGQFGVGFYSAFLVADRVIVTSKHNNDTQHIWESDSNEFFVTDDPRGDTLGRGSTITLVLKEEATDYLELETVKNLVRKYSQFINFPIYVWSS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues PA900R, IA901N, YA902C, VA903Q, WA904E, SA905A
Energy difference between WT (input) and mutated protein (by FoldX) 8.16791 kcal/mol

CAUTION: Your mutation/s can destabilize the protein structure

Changes in protein stability upon mutation are calculated using the FoldX forcefield. Computational prediction of protein stability is used with the intention of preventing the experimental characterization of proteins bearing mutations that significantly destabilize their structure. Mutations resulting in a predicted reduction in protein stability ≥ 1 kcal/mol are considered disruptive.

Show buried residues

Minimal score value
-3.9889
Maximal score value
1.0306
Average score
-1.1648
Total score value
-253.9262

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
mutation
689 K A -2.4145
690 E A -2.5592
691 I A -0.8074
692 R A -2.9187
693 E A -3.9889
694 K A -3.8921
695 S A -3.1399
696 E A -2.9975
697 K A -2.1881
698 F A -0.8247
699 A A -0.6195
700 F A 0.0000
701 Q A -1.0666
702 A A -1.4801
703 E A -2.1315
704 V A 0.0000
705 N A 0.0000
706 R A -2.9237
707 M A 0.0000
708 M A 0.0000
709 K A -2.6736
710 L A -0.9451
711 I A 0.0000
712 I A -0.9696
713 N A -1.0198
714 S A -0.1337
715 L A 0.8897
716 Y A -0.2861
717 K A -1.4700
718 N A -1.2333
719 K A -0.9353
720 E A -1.1073
721 I A 0.0000
722 F A 0.0000
723 L A 0.0000
724 R A -1.1171
725 E A 0.0000
726 L A 0.0000
727 I A 0.0000
728 S A -1.0620
729 N A -1.9303
730 A A 0.0000
731 S A -2.0510
732 D A -3.1123
733 A A -1.9317
734 L A 0.0000
735 D A -2.8019
736 K A -2.2286
737 I A 0.0000
738 R A -1.2967
739 L A 0.6797
740 M A 0.0421
741 S A 0.0000
742 L A 1.0306
743 T A -0.0657
744 D A -1.5015
745 D A -2.6541
746 Q A -2.2833
747 A A 0.0000
748 L A -1.9498
749 A A -1.3710
750 A A -0.9698
751 N A -1.6169
752 E A -3.0107
753 E A -2.7831
754 L A -1.8462
755 T A 0.0000
756 I A 0.0000
757 K A -1.4647
758 I A 0.0000
759 K A -1.4059
760 C A -1.8059
761 D A -2.7584
762 K A -3.6173
763 E A -3.6977
764 K A -3.3793
765 N A -2.8323
766 M A -1.5388
767 L A 0.0000
768 H A -0.3373
769 I A 0.0000
770 T A -0.2896
771 D A 0.0000
772 T A 0.0000
773 G A 0.0000
774 I A -0.5781
775 G A 0.0000
776 M A -0.8764
777 T A -1.7077
778 K A -2.3804
779 E A -3.0139
780 E A -2.4048
781 L A 0.0000
782 V A 0.0000
783 K A -1.7919
784 N A -1.1479
785 L A 0.0000
786 G A 0.0000
787 T A -0.1901
788 I A 0.9041
789 A A -0.1589
790 K A -1.1240
791 S A -0.8791
792 G A -0.8604
793 T A 0.0000
794 S A 0.0000
795 E A -1.8901
796 F A 0.0000
797 L A 0.0000
798 S A -2.5046
799 K A -2.6939
800 L A -1.6753
801 T A -1.8733
802 E A -2.9906
803 A A 0.0000
804 Q A -2.7578
805 E A -3.5583
806 D A -3.7286
807 G A -2.5030
808 Q A 0.0000
809 S A -1.1940
810 T A 0.0000
811 S A 0.0000
812 E A -1.2197
813 L A -0.9738
814 I A 0.0000
815 G A -1.2575
816 Q A -1.4394
817 F A -0.7768
818 G A -0.7470
819 V A 0.0000
820 G A -0.7071
821 F A -0.2024
822 Y A 0.0000
823 S A 0.0000
824 A A 0.0000
825 F A 0.0000
826 L A 0.0000
827 V A 0.0000
828 A A 0.0000
829 D A -2.5376
830 R A -2.0403
831 V A 0.0000
832 I A -0.0404
833 V A 0.0000
834 T A -0.1319
835 S A 0.0000
836 K A -0.5123
837 H A -0.8895
838 N A -1.0141
839 N A -1.6849
840 D A -1.3755
841 T A -1.1122
842 Q A 0.0000
843 H A 0.0000
844 I A -0.6644
845 W A 0.0000
846 E A -0.8274
847 S A 0.0000
848 D A -2.0990
849 S A -2.4185
850 N A -2.4917
851 E A -2.7165
852 F A -1.1888
853 F A 0.0000
854 V A -1.0142
855 T A 0.0000
856 D A -2.9103
857 D A -3.2870
858 P A -2.5006
859 R A -3.1705
860 G A -2.3704
861 D A -2.3645
862 T A -1.1845
863 L A -0.2165
864 G A -0.2900
865 R A 0.0000
866 G A 0.0000
867 S A 0.0724
868 T A 0.0340
869 I A 0.0000
870 T A 0.0000
871 L A 0.0000
872 V A -1.2459
873 L A 0.0000
874 K A -2.3261
875 E A -3.2930
876 E A -3.0517
877 A A 0.0000
878 T A -2.5355
879 D A -2.9240
880 Y A -1.9992
881 L A 0.0000
882 E A -2.8808
883 L A -2.1558
884 E A -2.8995
885 T A -2.2622
886 V A 0.0000
887 K A -3.3166
888 N A -2.6516
889 L A 0.0000
890 V A -1.9922
891 R A -3.1681
892 K A -2.7779
893 Y A -1.0443
894 S A 0.0000
895 Q A -1.7132
896 F A 0.7125
897 I A -0.0830
898 N A -1.1647
899 F A -1.3248
900 R A -2.1773 mutated: PA900R
901 N A -1.7849 mutated: IA901N
902 C A -1.4551 mutated: YA902C
903 Q A -1.6354 mutated: VA903Q
904 E A -2.2408 mutated: WA904E
905 A A -1.2238 mutated: SA905A
906 S A -0.6665

 

Laboratory of Theory of Biopolymers 2015