Aggrescan3D: S2ABC

Project name: S2ABC

Status: done

Started: 2024-07-24 22:38:51

Settings

Chain sequence(s)	A: QMSLGAENCVAYSNNSIAIPTNFTISVTTEILPVSMTKTSVDCTMYICGDSTECSNLLLQYGSFCTQLNRALTGIAVEQDKNTQEVFAQVKQIYCTPPIKDFGGFNFSQILPDPSKPSKRSPIEDLLFNKVTLADAGFIKQYGDCLGDIAARDLICAQKFNGLTVLPPLLTDEMIAQYTSALLAGTITSGWTFGAGPALQIPFPMQMAYRFNGIGVTQNVLYENQKLIANQFNSAIGKIQDSLSSTPSALGKLQDVVNQNAEALNTLVKQLSSNFGAISSVLNDILSRLDPPEAEVQIDRLITGRLQSLQTYVTQQLIRAAEIRASANLAATKMSECVLGQSKRVDFCGKGYLMSFPQSAPGVVFLVTYVPAQEKNFTTAPAICDGKAFPREGVFVSNGTWFVTQRNFYEPQIITTDNTFVSGNCDVVIGIVNNTVYDPL C: QMSLGAENCVAYSNNSIAIPTNFTISVTTEILPVSMTKTSVDCTMYICGDSTECSNLLLQYGSFCTQLNRALTGIAVEQDKNTQEVFAQVKQIYCTPPIKDFGGFNFSQILPDPSKPSKRSPIEDLLFNKVTLADAGFIKQYGDCLGDIAARDLICAQKFNGLTVLPPLLTDEMIAQYTSALLAGTITSGWTFGAGPALQIPFPMQMAYRFNGIGVTQNVLYENQKLIANQFNSAIGKIQDSLSSTPSALGKLQDVVNQNAEALNTLVKQLSSNFGAISSVLNDILSRLDPPEAEVQIDRLITGRLQSLQTYVTQQLIRAAEIRASANLAATKMSECVLGQSKRVDFCGKGYLMSFPQSAPGVVFLVTYVPAQEKNFTTAPAICDGKAFPREGVFVSNGTWFVTQRNFYEPQIITTDNTFVSGNCDVVIGIVNNTVYDPL B: QMSLGAENCVAYSNNSIAIPTNFTISVTTEILPVSMTKTSVDCTMYICGDSTECSNLLLQYGSFCTQLNRALTGIAVEQDKNTQEVFAQVKQIYCTPPIKDFGGFNFSQILPDPSKPSKRSPIEDLLFNKVTLADAGFIKQYGDCLGDIAARDLICAQKFNGLTVLPPLLTDEMIAQYTSALLAGTITSGWTFGAGPALQIPFPMQMAYRFNGIGVTQNVLYENQKLIANQFNSAIGKIQDSLSSTPSALGKLQDVVNQNAEALNTLVKQLSSNFGAISSVLNDILSRLDPPEAEVQIDRLITGRLQSLQTYVTQQLIRAAEIRASANLAATKMSECVLGQSKRVDFCGKGYLMSFPQSAPGVVFLVTYVPAQEKNFTTAPAICDGKAFPREGVFVSNGTWFVTQRNFYEPQIITTDNTFVSGNCDVVIGIVNNTVYDPL input PDB
Selected Chain(s)	A,B,C
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	Yes
Downloads	Download all the data

Simulation log

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[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 all chain(s) selected           (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:05)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:16:16)
[INFO]       Auto_mut: Residue number 1114 from chain C and a score of 2.062 (isoleucine) selected 
                       for automated muatation                                                     (00:16:38)
[INFO]       Auto_mut: Residue number 1114 from chain B and a score of 1.899 (isoleucine) selected 
                       for automated muatation                                                     (00:16:38)
[INFO]       Auto_mut: Residue number 1130 from chain A and a score of 1.814 (isoleucine) selected 
                       for automated muatation                                                     (00:16:38)
[INFO]       Auto_mut: Residue number 1130 from chain B and a score of 1.690 (isoleucine) selected 
                       for automated muatation                                                     (00:16:38)
[INFO]       Auto_mut: Residue number 1122 from chain C and a score of 1.550 (valine) selected for 
                       automated muatation                                                         (00:16:38)
[INFO]       Auto_mut: Residue number 1103 from chain C and a score of 1.546 (phenylalanine)       
                       selected for automated muatation                                            (00:16:38)
[INFO]       Auto_mut: Mutating residue number 1114 from chain C (isoleucine) into glutamic acid   (00:16:38)
[INFO]       Auto_mut: Mutating residue number 1114 from chain C (isoleucine) into aspartic acid   (00:16:38)
[INFO]       Auto_mut: Mutating residue number 1114 from chain B (isoleucine) into glutamic acid   (00:16:38)
[INFO]       Auto_mut: Mutating residue number 1114 from chain B (isoleucine) into lysine          (00:23:49)
[INFO]       Auto_mut: Mutating residue number 1114 from chain C (isoleucine) into lysine          (00:23:50)
[INFO]       Auto_mut: Mutating residue number 1114 from chain C (isoleucine) into arginine        (00:23:57)
[INFO]       Auto_mut: Mutating residue number 1114 from chain B (isoleucine) into aspartic acid   (00:30:54)
[INFO]       Auto_mut: Mutating residue number 1130 from chain A (isoleucine) into glutamic acid   (00:31:09)
[INFO]       Auto_mut: Mutating residue number 1130 from chain A (isoleucine) into aspartic acid   (00:31:19)
[INFO]       Auto_mut: Mutating residue number 1114 from chain B (isoleucine) into arginine        (00:37:58)
[INFO]       Auto_mut: Mutating residue number 1130 from chain A (isoleucine) into arginine        (00:38:19)
[INFO]       Auto_mut: Mutating residue number 1130 from chain A (isoleucine) into lysine          (00:38:25)
[INFO]       Auto_mut: Mutating residue number 1130 from chain B (isoleucine) into glutamic acid   (00:44:57)
[INFO]       Auto_mut: Mutating residue number 1130 from chain B (isoleucine) into aspartic acid   (00:45:11)
[INFO]       Auto_mut: Mutating residue number 1122 from chain C (valine) into glutamic acid       (00:45:22)
[INFO]       Auto_mut: Mutating residue number 1130 from chain B (isoleucine) into lysine          (00:51:55)
[INFO]       Auto_mut: Mutating residue number 1130 from chain B (isoleucine) into arginine        (00:52:11)
[INFO]       Auto_mut: Mutating residue number 1122 from chain C (valine) into lysine              (00:52:22)
[INFO]       Auto_mut: Mutating residue number 1122 from chain C (valine) into aspartic acid       (00:58:42)
[INFO]       Auto_mut: Mutating residue number 1103 from chain C (phenylalanine) into glutamic     
                       acid                                                                        (00:58:55)
[INFO]       Auto_mut: Mutating residue number 1103 from chain C (phenylalanine) into aspartic     
                       acid                                                                        (00:59:26)
[INFO]       Auto_mut: Mutating residue number 1122 from chain C (valine) into arginine            (01:05:46)
[INFO]       Auto_mut: Mutating residue number 1103 from chain C (phenylalanine) into lysine       (01:05:48)
[INFO]       Auto_mut: Mutating residue number 1103 from chain C (phenylalanine) into arginine     (01:06:24)
[INFO]       Auto_mut: Effect of mutation residue number 1114 from chain C (isoleucine) into       
                       glutamic acid: Energy difference: -0.1617 kcal/mol, Difference in average   
                       score from the base case: -0.0130                                           (01:13:30)
[INFO]       Auto_mut: Effect of mutation residue number 1114 from chain C (isoleucine) into       
                       lysine: Energy difference: -0.3003 kcal/mol, Difference in average score    
                       from the base case: -0.0132                                                 (01:13:30)
[INFO]       Auto_mut: Effect of mutation residue number 1114 from chain C (isoleucine) into       
                       aspartic acid: Energy difference: 0.0018 kcal/mol, Difference in average    
                       score from the base case: -0.0129                                           (01:13:30)
[INFO]       Auto_mut: Effect of mutation residue number 1114 from chain C (isoleucine) into       
                       arginine: Energy difference: -0.1824 kcal/mol, Difference in average score  
                       from the base case: -0.0133                                                 (01:13:30)
[INFO]       Auto_mut: Effect of mutation residue number 1114 from chain B (isoleucine) into       
                       glutamic acid: Energy difference: 0.3265 kcal/mol, Difference in average    
                       score from the base case: -0.0088                                           (01:13:30)
[INFO]       Auto_mut: Effect of mutation residue number 1114 from chain B (isoleucine) into       
                       lysine: Energy difference: -0.0230 kcal/mol, Difference in average score    
                       from the base case: -0.0086                                                 (01:13:30)
[INFO]       Auto_mut: Effect of mutation residue number 1114 from chain B (isoleucine) into       
                       aspartic acid: Energy difference: 0.6212 kcal/mol, Difference in average    
                       score from the base case: -0.0087                                           (01:13:30)
[INFO]       Auto_mut: Effect of mutation residue number 1114 from chain B (isoleucine) into       
                       arginine: Energy difference: 0.2614 kcal/mol, Difference in average score   
                       from the base case: -0.0109                                                 (01:13:30)
[INFO]       Auto_mut: Effect of mutation residue number 1130 from chain A (isoleucine) into       
                       glutamic acid: Energy difference: -0.5188 kcal/mol, Difference in average   
                       score from the base case: -0.0112                                           (01:13:30)
[INFO]       Auto_mut: Effect of mutation residue number 1130 from chain A (isoleucine) into       
                       lysine: Energy difference: -0.1306 kcal/mol, Difference in average score    
                       from the base case: -0.0097                                                 (01:13:30)
[INFO]       Auto_mut: Effect of mutation residue number 1130 from chain A (isoleucine) into       
                       aspartic acid: Energy difference: 0.0724 kcal/mol, Difference in average    
                       score from the base case: -0.0121                                           (01:13:30)
[INFO]       Auto_mut: Effect of mutation residue number 1130 from chain A (isoleucine) into       
                       arginine: Energy difference: -0.0396 kcal/mol, Difference in average score  
                       from the base case: -0.0087                                                 (01:13:30)
[INFO]       Auto_mut: Effect of mutation residue number 1130 from chain B (isoleucine) into       
                       glutamic acid: Energy difference: -0.1643 kcal/mol, Difference in average   
                       score from the base case: -0.0136                                           (01:13:30)
[INFO]       Auto_mut: Effect of mutation residue number 1130 from chain B (isoleucine) into       
                       lysine: Energy difference: 0.0049 kcal/mol, Difference in average score     
                       from the base case: -0.0123                                                 (01:13:30)
[INFO]       Auto_mut: Effect of mutation residue number 1130 from chain B (isoleucine) into       
                       aspartic acid: Energy difference: -0.1644 kcal/mol, Difference in average   
                       score from the base case: -0.0141                                           (01:13:30)
[INFO]       Auto_mut: Effect of mutation residue number 1130 from chain B (isoleucine) into       
                       arginine: Energy difference: 0.2187 kcal/mol, Difference in average score   
                       from the base case: -0.0120                                                 (01:13:30)
[INFO]       Auto_mut: Effect of mutation residue number 1122 from chain C (valine) into glutamic  
                       acid: Energy difference: 0.0555 kcal/mol, Difference in average score from  
                       the base case: -0.0114                                                      (01:13:30)
[INFO]       Auto_mut: Effect of mutation residue number 1122 from chain C (valine) into lysine:   
                       Energy difference: -0.5267 kcal/mol, Difference in average score from the   
                       base case: -0.0105                                                          (01:13:30)
[INFO]       Auto_mut: Effect of mutation residue number 1122 from chain C (valine) into aspartic  
                       acid: Energy difference: 0.6784 kcal/mol, Difference in average score from  
                       the base case: -0.0118                                                      (01:13:30)
[INFO]       Auto_mut: Effect of mutation residue number 1122 from chain C (valine) into arginine: 
                       Energy difference: -0.8203 kcal/mol, Difference in average score from the   
                       base case: -0.0114                                                          (01:13:30)
[INFO]       Auto_mut: Effect of mutation residue number 1103 from chain C (phenylalanine) into    
                       glutamic acid: Energy difference: 0.9801 kcal/mol, Difference in average    
                       score from the base case: -0.0065                                           (01:13:30)
[INFO]       Auto_mut: Effect of mutation residue number 1103 from chain C (phenylalanine) into    
                       lysine: Energy difference: 0.0440 kcal/mol, Difference in average score     
                       from the base case: -0.0075                                                 (01:13:30)
[INFO]       Auto_mut: Effect of mutation residue number 1103 from chain C (phenylalanine) into    
                       aspartic acid: Energy difference: 1.7999 kcal/mol, Difference in average    
                       score from the base case: -0.0071                                           (01:13:30)
[INFO]       Auto_mut: Effect of mutation residue number 1103 from chain C (phenylalanine) into    
                       arginine: Energy difference: 0.4767 kcal/mol, Difference in average score   
                       from the base case: -0.0073                                                 (01:13:30)
[INFO]       Main:     Simulation completed successfully.                                          (01:13:53)

Note Your prediction results will be deleted after 360 days.

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Show buried residues

Minimal score value: -3.632
Maximal score value: 2.0621
Average score: -0.6105
Total score value: -805.8452

Download the table (csv)

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
696	Q	A	-0.9898
697	M	A	-0.1365
698	S	A	-0.1214
699	L	A	-0.6091
700	G	A	-1.4000
701	A	A	-1.6647
702	E	A	-2.3332
703	N	A	-1.2120
704	C	A	0.3959
705	V	A	0.7640
706	A	A	0.6273
707	Y	A	0.2884
708	S	A	-0.4429
709	N	A	-1.2396
710	N	A	-1.5605
711	S	A	-1.0814
712	I	A	0.0000
713	A	A	0.0000
714	I	A	0.0000
715	P	A	0.0000
716	T	A	-1.5950
717	N	A	-1.3311
718	F	A	0.0000
719	T	A	-0.3244
720	I	A	0.0000
721	S	A	-0.3874
722	V	A	-0.3852
723	T	A	-0.4971
724	T	A	-0.4452
725	E	A	-0.7167
726	I	A	-0.4056
727	L	A	0.0000
728	P	A	0.0000
729	V	A	0.0000
730	S	A	-0.6504
731	M	A	0.0000
732	T	A	0.2043
733	K	A	0.0000
734	T	A	0.6692
735	S	A	0.0161
736	V	A	0.0000
737	D	A	-1.2525
738	C	A	0.0000
739	T	A	-0.6678
740	M	A	-0.6033
741	Y	A	0.0000
742	I	A	0.0000
743	C	A	0.0000
744	G	A	0.0000
745	D	A	-1.5059
746	S	A	-1.3494
747	T	A	-1.3745
748	E	A	-2.4220
749	C	A	-1.2062
750	S	A	-0.8966
751	N	A	-1.3039
752	L	A	-0.5802
753	L	A	0.0933
754	L	A	0.8154
755	Q	A	-0.2303
756	Y	A	0.0652
757	G	A	-0.4955
758	S	A	-0.6024
759	F	A	0.0000
760	C	A	0.0000
761	T	A	-1.0359
762	Q	A	-1.0892
763	L	A	0.0000
764	N	A	-1.6060
765	R	A	-2.2047
766	A	A	-1.1852
767	L	A	0.0000
768	T	A	-0.7389
769	G	A	-0.5245
770	I	A	0.0000
771	A	A	0.0000
772	V	A	0.4819
773	E	A	-0.7089
774	Q	A	0.0000
775	D	A	-1.1744
776	K	A	-2.2482
777	N	A	0.0000
778	T	A	-1.4078
779	Q	A	-1.8955
780	E	A	-2.4007
781	V	A	0.0000
782	F	A	0.0000
783	A	A	-1.1362
784	Q	A	-1.3167
785	V	A	0.0000
786	K	A	-2.3028
787	Q	A	-1.9750
788	I	A	0.0000
789	Y	A	0.0000
790	C	A	0.5585
791	T	A	0.4344
792	P	A	-0.1257
793	P	A	-0.4739
794	I	A	-0.8817
795	K	A	-2.6121
796	D	A	-2.7862
797	F	A	0.0000
798	G	A	-1.5601
799	G	A	-1.9531
800	F	A	0.0000
801	N	A	-2.1940
802	F	A	0.0000
803	S	A	-1.0850
804	Q	A	-1.0162
805	I	A	0.0000
806	L	A	0.0000
807	P	A	-1.2892
808	D	A	-1.5971
809	P	A	-1.5605
810	S	A	-1.2669
811	K	A	-1.7547
812	P	A	-1.8070
813	S	A	-2.4769
814	K	A	-3.1479
815	R	A	-2.1503
816	S	A	0.0000
817	P	A	-0.7629
818	I	A	0.0000
819	E	A	0.0000
820	D	A	-1.0568
821	L	A	-0.3152
822	L	A	0.0000
823	F	A	-0.1160
824	N	A	-1.0207
825	K	A	-0.6416
826	V	A	0.0000
827	T	A	-0.2514
828	L	A	0.0752
829	A	A	-1.0276
830	D	A	-1.5614
831	A	A	-0.4928
832	G	A	0.1398
833	F	A	1.0541
834	I	A	1.2028
835	K	A	-0.8538
836	Q	A	-1.6621
837	Y	A	-1.0830
838	G	A	-1.4213
839	D	A	-1.9548
840	C	A	-0.7335
841	L	A	0.6972
842	G	A	-0.3929
843	D	A	-1.4114
844	I	A	-0.2260
845	A	A	0.0000
846	A	A	0.0000
847	R	A	-2.1687
848	D	A	-1.3870
849	L	A	0.3379
850	I	A	0.1384
851	C	A	0.0000
852	A	A	0.0000
853	Q	A	0.0000
854	K	A	-0.3067
855	F	A	0.0000
856	N	A	0.0000
857	G	A	-0.6669
858	L	A	0.0000
859	T	A	0.3754
860	V	A	1.5207
861	L	A	0.8681
862	P	A	0.1173
863	P	A	-0.3734
864	L	A	-0.5755
865	L	A	0.0000
866	T	A	-1.4117
867	D	A	-2.6970
868	E	A	-2.7880
869	M	A	-1.2786
870	I	A	-0.9917
871	A	A	0.0000
872	Q	A	-1.4675
873	Y	A	0.0000
874	T	A	0.0000
875	S	A	-0.3803
876	A	A	0.0000
877	L	A	0.0000
878	L	A	0.0000
879	A	A	0.0000
880	G	A	0.0000
881	T	A	0.0000
882	I	A	0.0000
883	T	A	0.0000
884	S	A	0.0000
885	G	A	0.0000
886	W	A	0.2465
887	T	A	-0.0121
888	F	A	0.0000
889	G	A	-0.7415
890	A	A	-0.9078
891	G	A	-0.6679
892	P	A	-0.5604
893	A	A	-0.2478
894	L	A	0.0000
895	Q	A	-0.6323
896	I	A	0.0000
897	P	A	0.0000
898	F	A	0.0000
899	P	A	0.0000
900	M	A	0.0000
901	Q	A	0.0000
902	M	A	0.0000
903	A	A	0.0000
904	Y	A	0.7983
905	R	A	0.0000
906	F	A	0.0000
907	N	A	-0.8587
908	G	A	-0.7203
909	I	A	0.0000
910	G	A	-0.8083
911	V	A	0.0000
912	T	A	-0.6173
913	Q	A	-0.7111
914	N	A	-0.7568
915	V	A	0.0000
916	L	A	0.0000
917	Y	A	0.0000
918	E	A	-2.1077
919	N	A	-1.4791
920	Q	A	0.0000
921	K	A	-2.1647
922	L	A	-1.0884
923	I	A	0.0000
924	A	A	0.0000
925	N	A	-1.9158
926	Q	A	-1.2030
927	F	A	0.0000
928	N	A	-1.5834
929	S	A	-1.4894
930	A	A	-1.0601
931	I	A	0.0000
932	G	A	-1.7058
933	K	A	-2.4512
934	I	A	-1.3539
935	Q	A	-1.6170
936	D	A	-2.5223
937	S	A	-1.5179
938	L	A	-1.0260
939	S	A	-1.3062
940	S	A	-0.8871
941	T	A	-0.6191
942	P	A	-0.4471
943	S	A	-0.4468
944	A	A	-0.7999
945	L	A	-0.8863
946	G	A	-1.6870
947	K	A	-2.4976
948	L	A	0.0000
949	Q	A	-1.8773
950	D	A	-3.0861
951	V	A	-1.9576
952	V	A	-1.6533
953	N	A	-2.6211
954	Q	A	-2.4458
955	N	A	-1.5797
956	A	A	-1.7671
957	E	A	-2.3596
958	A	A	0.0000
959	L	A	-0.7355
960	N	A	-1.6609
961	T	A	-1.1765
962	L	A	0.0000
963	V	A	-0.5510
964	K	A	-1.1108
965	Q	A	0.0000
966	L	A	0.0000
967	S	A	-0.5610
968	S	A	0.0000
969	N	A	-0.1402
970	F	A	0.0000
971	G	A	-0.2968
972	A	A	0.5217
973	I	A	1.2906
974	S	A	0.2207
975	S	A	0.0000
976	V	A	0.0000
977	L	A	0.0000
978	N	A	-1.7508
979	D	A	-1.3294
980	I	A	0.0000
981	L	A	-1.3738
982	S	A	-1.5429
983	R	A	-2.1628
984	L	A	-2.1079
985	D	A	-2.9311
986	P	A	-2.0094
987	P	A	-1.7550
988	E	A	-2.4156
989	A	A	0.0000
990	E	A	-1.6554
991	V	A	0.0705
992	Q	A	-0.3529
993	I	A	0.0000
994	D	A	-0.6058
995	R	A	-0.9207
996	L	A	0.0000
997	I	A	0.0000
998	T	A	-0.4843
999	G	A	0.0000
1000	R	A	0.0000
1001	L	A	0.0000
1002	Q	A	-0.5187
1003	S	A	0.0000
1004	L	A	0.0000
1005	Q	A	0.0000
1006	T	A	0.0000
1007	Y	A	0.0000
1008	V	A	0.0000
1009	T	A	0.0000
1010	Q	A	-0.0964
1011	Q	A	0.0000
1012	L	A	0.0526
1013	I	A	0.0523
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771	A	C	-0.3537
772	V	C	0.1010
773	E	C	-1.7417
774	Q	C	0.0000
775	D	C	-1.4741
776	K	C	-2.5038
777	N	C	0.0000
778	T	C	-1.7278
779	Q	C	-2.2775
780	E	C	-2.5674
781	V	C	0.0000
782	F	C	0.0000
783	A	C	-1.4074
784	Q	C	-1.2940
785	V	C	0.0000
786	K	C	-2.1477
787	Q	C	-2.0422
788	I	C	0.0000
789	Y	C	-0.8797
790	C	C	-0.3421
791	T	C	-0.1343
792	P	C	-0.0448
793	P	C	0.1099
794	I	C	-0.7632
795	K	C	-2.3687
796	D	C	-2.4917
797	F	C	0.0000
798	G	C	-1.1408
799	G	C	-1.7267
800	F	C	0.0000
801	N	C	-1.7850
802	F	C	0.0000
803	S	C	-0.7706
804	Q	C	-0.4872
805	I	C	0.0000
806	L	C	-0.2508
807	P	C	-0.6599
808	D	C	-0.9583
809	P	C	-0.7788
810	S	C	-0.8185
811	K	C	-1.1431
812	P	C	-1.0110
813	S	C	-1.4719
814	K	C	-1.3313
815	R	C	-1.3289
816	S	C	0.0000
817	P	C	-0.4586
818	I	C	0.0000
819	E	C	0.0000
820	D	C	-0.5121
821	L	C	-0.1317
822	L	C	0.0000
823	F	C	0.8177
824	N	C	-0.6894
825	K	C	-0.3380
826	V	C	0.3325
827	T	C	0.3242
828	L	C	0.8443
829	A	C	-0.5184
830	D	C	-1.5404
831	A	C	-0.7433
832	G	C	-0.3480
833	F	C	0.0000
834	I	C	1.0309
835	K	C	-0.7573
836	Q	C	-1.2351
837	Y	C	0.0645
838	G	C	-0.8482
839	D	C	-1.6753
840	C	C	-0.5729
841	L	C	0.2419
842	G	C	-0.6320
843	D	C	-0.8701
844	I	C	1.0915
845	A	C	0.2881
846	A	C	-0.5243
847	R	C	-1.3827
848	D	C	0.0000
849	L	C	0.0000
850	I	C	0.1616
851	C	C	0.0000
852	A	C	-0.3022
853	Q	C	-0.6345
854	K	C	-0.6631
855	F	C	0.4598
856	N	C	-0.7890
857	G	C	-0.9345
858	L	C	-0.4583
859	T	C	-0.2369
860	V	C	0.0000
861	L	C	0.5462
862	P	C	-0.1267
863	P	C	-0.3682
864	L	C	-0.6908
865	L	C	0.0000
866	T	C	-1.5550
867	D	C	-2.6758
868	E	C	-2.7528
869	M	C	-1.1434
870	I	C	-0.9836
871	A	C	0.0000
872	Q	C	-1.0835
873	Y	C	0.0000
874	T	C	0.0000
875	S	C	0.0000
876	A	C	0.0000
877	L	C	0.0000
878	L	C	0.0000
879	A	C	0.0000
880	G	C	0.0000
881	T	C	0.0000
882	I	C	0.0000
883	T	C	-0.0862
884	S	C	0.0000
885	G	C	0.0000
886	W	C	0.2377
887	T	C	-0.0194
888	F	C	0.0000
889	G	C	-0.8608
890	A	C	-1.1134
891	G	C	-1.0078
892	P	C	-0.7991
893	A	C	-0.3154
894	L	C	-0.6815
895	Q	C	-0.2153
896	I	C	0.0000
897	P	C	-0.6414
898	F	C	0.0000
899	P	C	0.0595
900	M	C	0.0638
901	Q	C	0.0000
902	M	C	0.0000
903	A	C	0.0000
904	Y	C	-0.3430
905	R	C	0.0000
906	F	C	0.0000
907	N	C	-1.1451
908	G	C	-0.6102
909	I	C	-0.3252
910	G	C	-0.5301
911	V	C	0.0000
912	T	C	-0.3841
913	Q	C	0.0000
914	N	C	0.0000
915	V	C	0.0000
916	L	C	0.0000
917	Y	C	0.0000
918	E	C	-0.8941
919	N	C	-0.8209
920	Q	C	0.0000
921	K	C	-2.0026
922	L	C	-0.7004
923	I	C	0.0000
924	A	C	0.0000
925	N	C	-2.0252
926	Q	C	-1.3113
927	F	C	0.0000
928	N	C	-1.4219
929	S	C	-1.3119
930	A	C	-1.1495
931	I	C	0.0000
932	G	C	-1.7790
933	K	C	-2.6025
934	I	C	0.0000
935	Q	C	-1.8774
936	D	C	-2.7545
937	S	C	-1.7123
938	L	C	0.0000
939	S	C	-1.4130
940	S	C	-0.9266
941	T	C	-0.6020
942	P	C	-0.7093
943	S	C	-0.8334
944	A	C	-0.4759
945	L	C	0.0000
946	G	C	-1.2764
947	K	C	-1.8446
948	L	C	0.0000
949	Q	C	-1.7332
950	D	C	-2.8232
951	V	C	0.0000
952	V	C	-1.3850
953	N	C	-2.4884
954	Q	C	-2.2461
955	N	C	-1.4026
956	A	C	0.0000
957	E	C	-2.1832
958	A	C	-1.3857
959	L	C	0.0000
960	N	C	-1.3713
961	T	C	-1.1846
962	L	C	0.0000
963	V	C	-0.7632
964	K	C	-1.7796
965	Q	C	0.0000
966	L	C	-0.4789
967	S	C	-0.7622
968	S	C	-0.9345
969	N	C	-0.4661
970	F	C	-0.4132
971	G	C	-0.1481
972	A	C	0.0000
973	I	C	0.5658
974	S	C	0.1136
975	S	C	0.1670
976	V	C	0.6611
977	L	C	-0.0965
978	N	C	-1.1683
979	D	C	-0.8582
980	I	C	0.0000
981	L	C	-1.0284
982	S	C	-1.3154
983	R	C	-2.1750
984	L	C	-1.7737
985	D	C	-2.7465
986	P	C	-1.9201
987	P	C	-1.7442
988	E	C	-2.5801
989	A	C	0.0000
990	E	C	-2.0907
991	V	C	-0.3593
992	Q	C	-0.7234
993	I	C	0.0000
994	D	C	-1.4661
995	R	C	-1.1946
996	L	C	0.0000
997	I	C	0.0000
998	T	C	-0.7015
999	G	C	-0.4829
1000	R	C	0.0000
1001	L	C	0.0000
1002	Q	C	-0.3591
1003	S	C	0.0000
1004	L	C	0.0000
1005	Q	C	0.0000
1006	T	C	0.0000
1007	Y	C	0.0000
1008	V	C	0.0000
1009	T	C	0.0000
1010	Q	C	-0.0720
1011	Q	C	0.0000
1012	L	C	0.0000
1013	I	C	0.0762
1014	R	C	0.0000
1015	A	C	-0.5363
1016	A	C	-0.6463
1017	E	C	-0.9910
1018	I	C	0.0000
1019	R	C	-1.2188
1020	A	C	-0.5853
1021	S	C	-0.4733
1022	A	C	0.0000
1023	N	C	-0.9142
1024	L	C	0.0320
1025	A	C	0.0000
1026	A	C	-0.6630
1027	T	C	-0.2135
1028	K	C	0.0000
1029	M	C	0.0000
1030	S	C	0.0000
1031	E	C	0.0000
1032	C	C	0.0000
1033	V	C	0.0000
1034	L	C	0.0000
1035	G	C	0.0000
1036	Q	C	-0.5952
1037	S	C	-1.0948
1038	K	C	-2.3504
1039	R	C	-1.5688
1040	V	C	-0.8733
1041	D	C	-1.5545
1042	F	C	-0.7239
1043	C	C	-0.7403
1044	G	C	-1.1461
1045	K	C	-1.9394
1046	G	C	-0.8404
1047	Y	C	-0.3598
1049	L	C	0.0000
1050	M	C	0.0000
1051	S	C	0.0000
1052	F	C	0.0000
1053	P	C	0.0000
1054	Q	C	0.0000
1055	S	C	-0.0604
1056	A	C	0.0000
1057	P	C	0.2411
1059	G	C	-0.1614
1060	V	C	0.0000
1061	V	C	0.0000
1062	F	C	0.0000
1063	L	C	0.0000
1065	V	C	0.0000
1066	T	C	0.0000
1067	Y	C	0.0000
1068	V	C	-0.0619
1069	P	C	0.0000
1070	A	C	-1.4624
1071	Q	C	-2.7009
1072	E	C	-3.6320
1073	K	C	-3.4759
1074	N	C	-2.7006
1075	F	C	0.0000
1076	T	C	-1.2179
1077	T	C	0.0000
1078	A	C	0.0000
1079	P	C	0.0000
1080	A	C	0.0000
1081	I	C	0.0000
1082	C	C	-1.3948
1084	D	C	-2.9110
1085	G	C	-2.7963
1086	K	C	-2.6604
1087	A	C	0.0000
1089	F	C	0.0000
1090	P	C	0.0000
1091	R	C	-2.4637
1092	E	C	-2.9372
1093	G	C	-1.5619
1094	V	C	-0.4815
1095	F	C	0.0000
1096	V	C	0.0000
1097	S	C	-0.7142
1098	N	C	-1.6127
1099	G	C	-1.0922
1100	T	C	-0.5394
1102	W	C	0.6764
1103	F	C	1.5465
1104	V	C	0.0000
1105	T	C	0.0000
1106	Q	C	-1.3226
1107	R	C	-0.8659
1108	N	C	-0.7154
1109	F	C	-0.9105
1110	Y	C	-1.1595
1111	E	C	-1.0519
1112	P	C	-0.0920
1113	Q	C	0.3511
1114	I	C	2.0621
1115	I	C	1.3812
1116	T	C	0.3638
1117	T	C	-0.4890
1118	D	C	-1.8216
1119	N	C	0.0000
1120	T	C	-0.7230
1121	F	C	0.6200
1122	V	C	1.5495
1123	S	C	-0.0831
1124	G	C	-1.5840
1125	N	C	-2.4834
1126	C	C	-1.9609
1127	D	C	-1.9860
1128	V	C	-0.7714
1129	V	C	-0.6562
1130	I	C	-0.2327
1131	G	C	0.0719
1132	I	C	0.4184
1133	V	C	-0.2501
1134	N	C	-1.5802
1135	N	C	-1.2357
1136	T	C	-0.4112
1137	V	C	1.3604
1138	Y	C	1.4270
1139	D	C	-0.2837
1140	P	C	0.0696
1141	L	C	1.0390

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Automated mutations analysis

In the automated mutations mode, the server selects aggregation prone resides and each selected residue is mutated to glutamic acid, lysine, aspartic acid and arginine. The table below shows 2 best scored mutants for each mutated residue. Protein variants are ordered according to the mutation effect they had on protein stability (energetic effect) together with the difference in the average per-residue aggregation score between the wild type and the mutant (in the table green values indicate a positive change, grey are neutral, and orange/red mean destabilizing or more aggregation prone mutants).
Summary for all the mutants can be found in this CSV file.

Mutant	Energetic effect	Score comparison
VR1122C	-0.8203	-0.0114	View	CSV	PDB
IE1130A	-0.5188	-0.0112	View	CSV	PDB
VK1122C	-0.5267	-0.0105	View	CSV	PDB
IK1114C	-0.3003	-0.0132	View	CSV	PDB
ID1130B	-0.1644	-0.0141	View	CSV	PDB
IR1114C	-0.1824	-0.0133	View	CSV	PDB
IE1130B	-0.1643	-0.0136	View	CSV	PDB
IK1130A	-0.1306	-0.0097	View	CSV	PDB
IK1114B	-0.023	-0.0086	View	CSV	PDB
FK1103C	0.044	-0.0075	View	CSV	PDB
IR1114B	0.2614	-0.0109	View	CSV	PDB
FR1103C	0.4767	-0.0073	View	CSV	PDB

Project name: S2ABC

Status: done

Started: 2024-07-24 22:38:51

Automated mutations analysis

Mutant

Energetic effect

Score comparison