Project name: hr2.nt96 [mutate: EA693A]

Status: done

submitted: 2018-10-28 06:27:00, status changed: 2018-10-28 06:39:10
Settings
Chain sequence(s) A: KEIREKSEKFAFQAEVNRMMKLIINSLYKNKEIFLRELISNASDALDKIRLMSLTDDQALAANEELTIKIKCDKEKNMLHITDTGIGMTKEELVKNLGTIAKSGTSEFLSKLTEAQEDGQSTSELIGQFGVGFYSAFLVADRVIVTSKHNNDTQHIWESDSNEFFVTDDPRGDTLGRGSTITLVLKEEATDYLELETVKNLVRKYSQFINFPIYVWSS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues EA693A
Energy difference between WT (input) and mutated protein (by FoldX) 0.284711 kcal/mol

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
-3.7309
Maximal score value
1.4039
Average score
-1.0383
Total score value
-226.3391

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 -2.4567
690 E A -2.4134
691 I A -0.4991
692 R A -2.0657
693 A A -2.1489 mutated: EA693A
694 K A -2.9871
695 S A -2.6962
696 E A -3.0301
697 K A -2.2361
698 F A -0.9179
699 A A -0.6650
700 F A 0.0000
701 Q A -1.0773
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 -0.9768
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 -1.1052
721 I A 0.0000
722 F A 0.0000
723 L A 0.0000
724 R A -1.1286
725 E A 0.0000
726 L A 0.0000
727 I A 0.0000
728 S A -1.1078
729 N A -2.0161
730 A A 0.0000
731 S A -1.9107
732 D A -3.1418
733 A A -1.9580
734 L A 0.0000
735 D A -2.8193
736 K A -2.2286
737 I A 0.0000
738 R A -1.3032
739 L A 0.6797
740 M A 0.0420
741 S A 0.0000
742 L A 1.0306
743 T A -0.0657
744 D A -1.5016
745 D A -2.6544
746 Q A -2.2838
747 A A 0.0000
748 L A -1.9565
749 A A -1.3719
750 A A -0.9708
751 N A -1.6258
752 E A -3.0217
753 E A -2.6207
754 L A -1.5278
755 T A 0.0000
756 I A 0.0000
757 K A -0.0378
758 I A 0.0000
759 K A -0.0786
760 C A -1.1647
761 D A -2.4428
762 K A -3.6138
763 E A -3.6921
764 K A -3.3749
765 N A -2.8312
766 M A -1.5223
767 L A 0.0000
768 H A -0.3374
769 I A 0.0000
770 T A -0.1775
771 D A 0.0000
772 T A 0.0000
773 G A 0.0000
774 I A -0.5823
775 G A 0.0000
776 M A -0.8848
777 T A -1.7145
778 K A -2.3946
779 E A -3.0024
780 E A -2.3851
781 L A 0.0000
782 V A 0.0000
783 K A -1.7890
784 N A -1.1512
785 L A 0.0000
786 G A 0.0000
787 T A -0.2004
788 I A 0.9027
789 A A -0.1618
790 K A -1.1252
791 S A -0.8791
792 G A -0.8604
793 T A 0.0000
794 S A 0.0000
795 E A -1.8933
796 F A 0.0000
797 L A 0.0000
798 S A -2.5149
799 K A -2.6988
800 L A -1.6781
801 T A -1.8749
802 E A -2.9922
803 A A 0.0000
804 Q A -2.7607
805 E A -3.5619
806 D A -3.7309
807 G A -2.5041
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 -1.2691
816 Q A -1.4394
817 F A -0.7768
818 G A -0.7580
819 V A 0.0000
820 G A -0.7232
821 F A -0.2216
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 -2.5593
830 R A -2.0643
831 V A 0.0000
832 I A -0.0090
833 V A 0.0000
834 T A -0.1473
835 S A 0.0000
836 K A -0.5337
837 H A -0.8988
838 N A -1.0142
839 N A -1.6848
840 D A -1.3870
841 T A -1.1351
842 Q A 0.0000
843 H A -1.2700
844 I A -0.6942
845 W A 0.0000
846 E A -0.7987
847 S A 0.0000
848 D A -2.1482
849 S A -2.4424
850 N A -2.5096
851 E A -2.7372
852 F A -1.2233
853 F A 0.0000
854 V A -1.0420
855 T A 0.0000
856 D A -2.6249
857 D A -3.0039
858 P A -2.2934
859 R A -2.9362
860 G A -2.3789
861 D A -2.3647
862 T A -1.1846
863 L A -0.2166
864 G A -0.2905
865 R A 0.0000
866 G A 0.0000
867 S A 0.0635
868 T A 0.0075
869 I A 0.0000
870 T A 0.0000
871 L A 0.0000
872 V A -1.2470
873 L A 0.0000
874 K A -2.3280
875 E A -3.2930
876 E A -3.0517
877 A A 0.0000
878 T A -2.5405
879 D A -2.9207
880 Y A -1.9875
881 L A 0.0000
882 E A -2.8755
883 L A -1.6155
884 E A -2.8135
885 T A -2.1860
886 V A 0.0000
887 K A -2.8060
888 N A -2.5427
889 L A 0.0000
890 V A -1.6332
891 R A -3.1080
892 K A -2.7428
893 Y A -1.0418
894 S A 0.0000
895 Q A -1.4246
896 F A 0.8782
897 I A 0.3030
898 N A -0.7295
899 F A -0.2637
900 P A 0.0631
901 I A 0.5889
902 Y A 1.4039
903 V A 1.0640
904 W A 1.2533
905 S A 0.2797
906 S A -0.1331

 

Laboratory of Theory of Biopolymers 2015