| Chain sequence(s) |
A: QVQLQQSGPGLVKPSQTLSLTCGISGDSVSSKSAAWNWIRQSPSRGLEWLGRTYYRSKWHNDYAVSVKSRITINPDTSKNQFSLQLNSVTPEDTAVYYCARGQMGALDVWGQGTTVTVSSVLTQPPSASGTPGQRVTISCSGSSSNIGSYYVYWYQQFPGTAPKLLIYGNNQRPSGVPDRFSGSKSGTSASLAITGLQAEDEADYYCQSYDSSLSGVIFGGGTKLTVL
C: DPAFGANS B: QVQLQQSGPGLVKPSQTLSLTCGISGDSVSSKSAAWNWIRQSPSRGLEWLGRTYYRSKWHNDYAVSVKSRITINPDTSKNQFSLQLNSVTPEDTAVYYCARGQMGALDVWGQGTTVTVSSQSVLTQPPSASGTPGQRVTISCSGSSSNIGSYYVYWYQQFPGTAPKLLIYGNNQRPSGVPDRFSGSKSGTSASLAITGLQAEDEADYYCQSYDSSLSGVIFGGGTKLTVL input PDB |
| Selected Chain(s) | A,C,B |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| 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 all chain(s) selected (00:00:00)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:00)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:00)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:03:20)
[INFO] Main: Simulation completed successfully. (00:03:23)
|
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 | |
| 1 | Q | A | -1.5557 | |
| 2 | V | A | -1.2855 | |
| 3 | Q | A | -2.0125 | |
| 4 | L | A | 0.0000 | |
| 5 | Q | A | -1.9780 | |
| 6 | Q | A | -1.4281 | |
| 7 | S | A | -1.0031 | |
| 8 | G | A | -0.4718 | |
| 9 | P | A | -0.0684 | |
| 11 | G | A | 0.2787 | |
| 12 | L | A | 0.8607 | |
| 13 | V | A | 0.0000 | |
| 14 | K | A | -1.8320 | |
| 15 | P | A | -1.3842 | |
| 16 | S | A | -1.3563 | |
| 17 | Q | A | -1.8278 | |
| 18 | T | A | -1.2730 | |
| 19 | L | A | 0.0000 | |
| 20 | S | A | -0.5796 | |
| 21 | L | A | 0.0000 | |
| 22 | T | A | -0.7226 | |
| 23 | C | A | 0.0000 | |
| 24 | G | A | -1.4055 | |
| 25 | I | A | 0.0000 | |
| 26 | S | A | -1.3754 | |
| 27 | G | A | -1.2964 | |
| 28 | D | A | -1.0870 | |
| 29 | S | A | -0.7580 | |
| 30 | V | A | 0.0000 | |
| 31 | S | A | -0.9093 | |
| 34 | S | A | -1.0636 | |
| 35 | K | A | -2.1902 | |
| 36 | S | A | -1.0442 | |
| 37 | A | A | 0.0000 | |
| 38 | A | A | 0.0000 | |
| 39 | W | A | 0.0000 | |
| 40 | N | A | 0.0000 | |
| 41 | W | A | 0.0000 | |
| 42 | I | A | 0.0000 | |
| 43 | R | A | 0.0000 | |
| 44 | Q | A | -0.2645 | |
| 45 | S | A | 0.0000 | |
| 46 | P | A | -0.4282 | |
| 47 | S | A | -0.7678 | |
| 48 | R | A | -1.0761 | |
| 49 | G | A | 0.0000 | |
| 50 | L | A | 0.0000 | |
| 51 | E | A | -0.4880 | |
| 52 | W | A | 0.0000 | |
| 53 | L | A | 0.0000 | |
| 54 | G | A | 0.0000 | |
| 55 | R | A | -0.7646 | |
| 56 | T | A | 0.0000 | |
| 57 | Y | A | -0.8777 | |
| 58 | Y | A | -1.1767 | |
| 59 | R | A | -1.7309 | |
| 61 | S | A | -1.4956 | |
| 62 | K | A | -2.0127 | |
| 63 | W | A | -0.9085 | |
| 64 | H | A | -1.2054 | |
| 65 | N | A | -1.2646 | |
| 66 | D | A | -0.9395 | |
| 67 | Y | A | -0.4261 | |
| 68 | A | A | 0.3062 | |
| 69 | V | A | 1.1604 | |
| 70 | S | A | 0.1570 | |
| 71 | V | A | 0.0000 | |
| 72 | K | A | -1.3589 | |
| 74 | S | A | -1.0440 | |
| 75 | R | A | -1.3094 | |
| 76 | I | A | 0.0000 | |
| 77 | T | A | -1.0034 | |
| 78 | I | A | 0.0000 | |
| 79 | N | A | -1.1865 | |
| 80 | P | A | -0.9865 | |
| 81 | D | A | -1.4626 | |
| 82 | T | A | -1.1394 | |
| 83 | S | A | -1.3483 | |
| 84 | K | A | -2.2092 | |
| 85 | N | A | -1.6440 | |
| 86 | Q | A | -1.5712 | |
| 87 | F | A | 0.0000 | |
| 88 | S | A | -0.6452 | |
| 89 | L | A | 0.0000 | |
| 90 | Q | A | -0.6651 | |
| 91 | L | A | 0.0000 | |
| 92 | N | A | -1.2679 | |
| 93 | S | A | -1.3098 | |
| 94 | V | A | 0.0000 | |
| 95 | T | A | -1.4188 | |
| 96 | P | A | -1.6865 | |
| 97 | E | A | -2.1573 | |
| 98 | D | A | 0.0000 | |
| 99 | T | A | -0.7068 | |
| 100 | A | A | 0.0000 | |
| 101 | V | A | 0.0689 | |
| 102 | Y | A | 0.0000 | |
| 103 | Y | A | 0.0000 | |
| 104 | C | A | 0.0000 | |
| 105 | A | A | 0.0000 | |
| 106 | R | A | -0.4301 | |
| 107 | G | A | 0.0000 | |
| 108 | Q | A | -0.4460 | |
| 109 | M | A | 0.6628 | |
| 113 | G | A | 0.1341 | |
| 114 | A | A | 0.0000 | |
| 115 | L | A | 0.0000 | |
| 116 | D | A | -0.6974 | |
| 117 | V | A | -0.5790 | |
| 118 | W | A | -0.7744 | |
| 119 | G | A | 0.0000 | |
| 120 | Q | A | -1.6778 | |
| 121 | G | A | -0.9089 | |
| 122 | T | A | -0.4537 | |
| 123 | T | A | 0.0316 | |
| 124 | V | A | 0.0000 | |
| 125 | T | A | -0.2291 | |
| 126 | V | A | 0.0000 | |
| 127 | S | A | -0.6936 | |
| 1002 | S | A | -0.1235 | |
| 1003 | V | A | 0.4182 | |
| 1004 | L | A | 0.0000 | |
| 1005 | T | A | 0.0000 | |
| 1006 | Q | A | 0.0000 | |
| 1007 | P | A | -0.3160 | |
| 1008 | P | A | 0.0000 | |
| 1009 | S | A | -0.6944 | |
| 1011 | A | A | -0.6436 | |
| 1012 | S | A | -0.3970 | |
| 1013 | G | A | 0.0000 | |
| 1014 | T | A | -0.4370 | |
| 1015 | P | A | -1.2095 | |
| 1016 | G | A | -1.7417 | |
| 1017 | Q | A | -2.3276 | |
| 1018 | R | A | -2.6317 | |
| 1019 | V | A | 0.0000 | |
| 1020 | T | A | -0.6674 | |
| 1021 | I | A | 0.0000 | |
| 1022 | S | A | -0.3192 | |
| 1023 | C | A | 0.0000 | |
| 1024 | S | A | -0.2412 | |
| 1025 | G | A | 0.0000 | |
| 1026 | S | A | -0.3218 | |
| 1027 | S | A | -0.4681 | |
| 1028 | S | A | -0.1971 | |
| 1029 | N | A | 0.0000 | |
| 1030 | I | A | 0.0000 | |
| 1035 | G | A | -0.3418 | |
| 1036 | S | A | 0.0931 | |
| 1037 | Y | A | 1.0113 | |
| 1038 | Y | A | 1.3298 | |
| 1039 | V | A | 0.0000 | |
| 1040 | Y | A | 0.0000 | |
| 1041 | W | A | 0.0000 | |
| 1042 | Y | A | 0.0000 | |
| 1043 | Q | A | 0.0000 | |
| 1044 | Q | A | 0.0000 | |
| 1045 | F | A | -0.1589 | |
| 1046 | P | A | -0.2446 | |
| 1047 | G | A | -0.5536 | |
| 1048 | T | A | -0.5349 | |
| 1049 | A | A | -0.5698 | |
| 1050 | P | A | 0.0000 | |
| 1051 | K | A | -1.3266 | |
| 1052 | L | A | 0.0000 | |
| 1053 | L | A | 0.0000 | |
| 1054 | I | A | 0.0000 | |
| 1055 | Y | A | -0.6686 | |
| 1056 | G | A | -0.4264 | |
| 1057 | N | A | -0.9849 | |
| 1065 | N | A | -2.1417 | |
| 1066 | Q | A | -2.2270 | |
| 1067 | R | A | -1.9550 | |
| 1068 | P | A | -1.1694 | |
| 1069 | S | A | -0.8936 | |
| 1070 | G | A | -0.8188 | |
| 1071 | V | A | -0.9463 | |
| 1072 | P | A | -1.2573 | |
| 1074 | D | A | -2.1639 | |
| 1075 | R | A | -1.5336 | |
| 1076 | F | A | 0.0000 | |
| 1077 | S | A | -1.2981 | |
| 1078 | G | A | -1.2073 | |
| 1079 | S | A | -1.2107 | |
| 1080 | K | A | -1.0298 | |
| 1083 | S | A | -0.8385 | |
| 1084 | G | A | -0.8860 | |
| 1085 | T | A | -0.6369 | |
| 1086 | S | A | -0.6261 | |
| 1087 | A | A | 0.0000 | |
| 1088 | S | A | -0.5838 | |
| 1089 | L | A | 0.0000 | |
| 1090 | A | A | 0.0000 | |
| 1091 | I | A | 0.0000 | |
| 1092 | T | A | -1.7305 | |
| 1093 | G | A | -1.7859 | |
| 1094 | L | A | 0.0000 | |
| 1095 | Q | A | -1.8842 | |
| 1096 | A | A | -1.2911 | |
| 1097 | E | A | -2.2625 | |
| 1098 | D | A | 0.0000 | |
| 1099 | E | A | -1.4686 | |
| 1100 | A | A | 0.0000 | |
| 1101 | D | A | -0.5942 | |
| 1102 | Y | A | 0.0000 | |
| 1103 | Y | A | 0.0000 | |
| 1104 | C | A | 0.0000 | |
| 1105 | Q | A | 0.0000 | |
| 1106 | S | A | 0.0000 | |
| 1107 | Y | A | 0.6749 | |
| 1108 | D | A | 0.0000 | |
| 1109 | S | A | -0.0740 | |
| 1110 | S | A | -0.0694 | |
| 1113 | L | A | 0.8708 | |
| 1114 | S | A | 0.2950 | |
| 1115 | G | A | 0.0000 | |
| 1116 | V | A | 0.1891 | |
| 1117 | I | A | 0.0000 | |
| 1118 | F | A | 0.0000 | |
| 1119 | G | A | 0.0000 | |
| 1120 | G | A | -0.5509 | |
| 1121 | G | A | 0.0000 | |
| 1122 | T | A | 0.0000 | |
| 1123 | K | A | -1.2339 | |
| 1124 | L | A | 0.0000 | |
| 1125 | T | A | 0.0000 | |
| 1126 | V | A | 0.0000 | |
| 1127 | L | A | 1.2391 | |
| 1 | Q | B | -1.5369 | |
| 2 | V | B | -1.2154 | |
| 3 | Q | B | -1.9616 | |
| 4 | L | B | 0.0000 | |
| 5 | Q | B | -1.9381 | |
| 6 | Q | B | -1.4173 | |
| 7 | S | B | -0.9153 | |
| 8 | G | B | -0.5593 | |
| 9 | P | B | -0.1004 | |
| 11 | G | B | 0.1551 | |
| 12 | L | B | 0.8380 | |
| 13 | V | B | 0.0000 | |
| 14 | K | B | -1.8458 | |
| 15 | P | B | -1.4418 | |
| 16 | S | B | -1.3582 | |
| 17 | Q | B | -1.9020 | |
| 18 | T | B | -1.3477 | |
| 19 | L | B | 0.0000 | |
| 20 | S | B | -0.7528 | |
| 21 | L | B | 0.0000 | |
| 22 | T | B | -0.7785 | |
| 23 | C | B | 0.0000 | |
| 24 | G | B | -1.3197 | |
| 25 | I | B | 0.0000 | |
| 26 | S | B | -1.2736 | |
| 27 | G | B | -1.2456 | |
| 28 | D | B | -1.0581 | |
| 29 | S | B | -0.8098 | |
| 30 | V | B | 0.0000 | |
| 31 | S | B | -0.8232 | |
| 34 | S | B | -1.0645 | |
| 35 | K | B | -1.9124 | |
| 36 | S | B | -1.1414 | |
| 37 | A | B | 0.0000 | |
| 38 | A | B | 0.0000 | |
| 39 | W | B | 0.0000 | |
| 40 | N | B | 0.0000 | |
| 41 | W | B | 0.0000 | |
| 42 | I | B | 0.0000 | |
| 43 | R | B | 0.0000 | |
| 44 | Q | B | -0.2577 | |
| 45 | S | B | 0.0000 | |
| 46 | P | B | -0.6012 | |
| 47 | S | B | -0.7532 | |
| 48 | R | B | -0.8144 | |
| 49 | G | B | -0.5370 | |
| 50 | L | B | 0.0000 | |
| 51 | E | B | -0.3418 | |
| 52 | W | B | 0.0000 | |
| 53 | L | B | 0.0000 | |
| 54 | G | B | 0.0000 | |
| 55 | R | B | 0.0000 | |
| 56 | T | B | 0.0000 | |
| 57 | Y | B | 0.0000 | |
| 58 | Y | B | -0.8315 | |
| 59 | R | B | -1.2105 | |
| 61 | S | B | -1.2642 | |
| 62 | K | B | -1.6093 | |
| 63 | W | B | -0.8055 | |
| 64 | H | B | -1.0410 | |
| 65 | N | B | -1.0624 | |
| 66 | D | B | -0.7166 | |
| 67 | Y | B | -0.3436 | |
| 68 | A | B | 0.0000 | |
| 69 | V | B | 1.1352 | |
| 70 | S | B | 0.1753 | |
| 71 | V | B | 0.0000 | |
| 72 | K | B | -1.3641 | |
| 74 | S | B | -1.0389 | |
| 75 | R | B | -1.3535 | |
| 76 | I | B | 0.0000 | |
| 77 | T | B | -1.1385 | |
| 78 | I | B | 0.0000 | |
| 79 | N | B | -1.5973 | |
| 80 | P | B | -1.1021 | |
| 81 | D | B | -1.4606 | |
| 82 | T | B | -1.1826 | |
| 83 | S | B | -1.3269 | |
| 84 | K | B | -2.1414 | |
| 85 | N | B | -1.5441 | |
| 86 | Q | B | -1.4541 | |
| 87 | F | B | 0.0000 | |
| 88 | S | B | -0.8453 | |
| 89 | L | B | 0.0000 | |
| 90 | Q | B | -1.0056 | |
| 91 | L | B | 0.0000 | |
| 92 | N | B | -1.2711 | |
| 93 | S | B | -1.2255 | |
| 94 | V | B | 0.0000 | |
| 95 | T | B | -0.9175 | |
| 96 | P | B | -0.6709 | |
| 97 | E | B | -1.0259 | |
| 98 | D | B | 0.0000 | |
| 99 | T | B | 0.0000 | |
| 100 | A | B | 0.0000 | |
| 101 | V | B | -0.1493 | |
| 102 | Y | B | 0.0000 | |
| 103 | Y | B | 0.0000 | |
| 104 | C | B | 0.0000 | |
| 105 | A | B | 0.0000 | |
| 106 | R | B | -0.4216 | |
| 107 | G | B | 0.0000 | |
| 108 | Q | B | -0.7783 | |
| 109 | M | B | -0.1749 | |
| 113 | G | B | 0.0000 | |
| 114 | A | B | 0.0000 | |
| 115 | L | B | 0.0000 | |
| 116 | D | B | -0.6717 | |
| 117 | V | B | -0.7116 | |
| 118 | W | B | -0.8089 | |
| 119 | G | B | 0.0000 | |
| 120 | Q | B | -1.6481 | |
| 121 | G | B | -1.0024 | |
| 122 | T | B | -0.5496 | |
| 123 | T | B | 0.0079 | |
| 124 | V | B | 0.0000 | |
| 125 | T | B | 0.0682 | |
| 126 | V | B | 0.0000 | |
| 127 | S | B | -0.4035 | |
| 128 | S | B | -0.6260 | |
| 1001 | Q | B | -1.5115 | |
| 1002 | S | B | -0.7108 | |
| 1003 | V | B | -0.3964 | |
| 1004 | L | B | 0.0000 | |
| 1005 | T | B | -0.5628 | |
| 1006 | Q | B | -0.5445 | |
| 1007 | P | B | -0.6091 | |
| 1008 | P | B | -0.7295 | |
| 1009 | S | B | -0.6208 | |
| 1011 | A | B | -0.5295 | |
| 1012 | S | B | -0.0587 | |
| 1013 | G | B | 0.0000 | |
| 1014 | T | B | -0.3116 | |
| 1015 | P | B | -0.9535 | |
| 1016 | G | B | -1.7000 | |
| 1017 | Q | B | -2.3505 | |
| 1018 | R | B | -2.5834 | |
| 1019 | V | B | 0.0000 | |
| 1020 | T | B | -0.6741 | |
| 1021 | I | B | 0.0000 | |
| 1022 | S | B | -0.3672 | |
| 1023 | C | B | 0.0000 | |
| 1024 | S | B | -0.5153 | |
| 1025 | G | B | -0.7341 | |
| 1026 | S | B | -0.7504 | |
| 1027 | S | B | -0.6026 | |
| 1028 | S | B | -0.5748 | |
| 1029 | N | B | 0.0000 | |
| 1030 | I | B | 0.0000 | |
| 1035 | G | B | -0.7413 | |
| 1036 | S | B | -0.4319 | |
| 1037 | Y | B | -0.1408 | |
| 1038 | Y | B | 0.0178 | |
| 1039 | V | B | 0.0000 | |
| 1040 | Y | B | 0.0000 | |
| 1041 | W | B | 0.0000 | |
| 1042 | Y | B | 0.0000 | |
| 1043 | Q | B | -0.5278 | |
| 1044 | Q | B | 0.0000 | |
| 1045 | F | B | 1.0490 | |
| 1046 | P | B | 0.5103 | |
| 1047 | G | B | -0.2376 | |
| 1048 | T | B | -0.2109 | |
| 1049 | A | B | -0.4335 | |
| 1050 | P | B | 0.0000 | |
| 1051 | K | B | -1.2801 | |
| 1052 | L | B | 0.0000 | |
| 1053 | L | B | 0.0000 | |
| 1054 | I | B | 0.0000 | |
| 1055 | Y | B | -0.5581 | |
| 1056 | G | B | -0.7599 | |
| 1057 | N | B | -1.1680 | |
| 1065 | N | B | -2.0922 | |
| 1066 | Q | B | -2.0081 | |
| 1067 | R | B | -1.8627 | |
| 1068 | P | B | -1.0005 | |
| 1069 | S | B | -0.9475 | |
| 1070 | G | B | -0.9341 | |
| 1071 | V | B | 0.0000 | |
| 1072 | P | B | -1.4291 | |
| 1074 | D | B | -2.2922 | |
| 1075 | R | B | -1.6474 | |
| 1076 | F | B | 0.0000 | |
| 1077 | S | B | -1.3735 | |
| 1078 | G | B | -1.1765 | |
| 1079 | S | B | -1.1366 | |
| 1080 | K | B | -1.0837 | |
| 1083 | S | B | -0.7971 | |
| 1084 | G | B | -0.9142 | |
| 1085 | T | B | -0.7576 | |
| 1086 | S | B | -0.7170 | |
| 1087 | A | B | 0.0000 | |
| 1088 | S | B | -0.5847 | |
| 1089 | L | B | 0.0000 | |
| 1090 | A | B | -0.6501 | |
| 1091 | I | B | 0.0000 | |
| 1092 | T | B | -1.8260 | |
| 1093 | G | B | -1.5121 | |
| 1094 | L | B | 0.0000 | |
| 1095 | Q | B | -1.6567 | |
| 1096 | A | B | -1.3088 | |
| 1097 | E | B | -2.1334 | |
| 1098 | D | B | 0.0000 | |
| 1099 | E | B | -1.4516 | |
| 1100 | A | B | 0.0000 | |
| 1101 | D | B | -0.6036 | |
| 1102 | Y | B | 0.0000 | |
| 1103 | Y | B | 0.0000 | |
| 1104 | C | B | 0.0000 | |
| 1105 | Q | B | 0.0000 | |
| 1106 | S | B | 0.0000 | |
| 1107 | Y | B | 0.0000 | |
| 1108 | D | B | 0.0000 | |
| 1109 | S | B | -0.3609 | |
| 1110 | S | B | -0.4759 | |
| 1113 | L | B | 0.1969 | |
| 1114 | S | B | 0.0383 | |
| 1115 | G | B | 0.0000 | |
| 1116 | V | B | 0.1310 | |
| 1117 | I | B | 0.0000 | |
| 1118 | F | B | 0.0000 | |
| 1119 | G | B | 0.0000 | |
| 1120 | G | B | -0.7605 | |
| 1121 | G | B | -0.7251 | |
| 1122 | T | B | 0.0000 | |
| 1123 | K | B | -1.1665 | |
| 1124 | L | B | 0.0000 | |
| 1125 | T | B | -0.2078 | |
| 1126 | V | B | 0.1076 | |
| 1127 | L | B | 1.3654 | |
| 20 | D | C | 0.0000 | |
| 21 | P | C | -0.5454 | |
| 22 | A | C | 0.0000 | |
| 23 | F | C | 0.0000 | |
| 24 | G | C | -0.8853 | |
| 25 | A | C | -0.4814 | |
| 26 | N | C | -0.5693 | |
| 27 | S | C | -0.4056 |
ALA alanine
ARG arginine
ASN asparagine
ASP aspartic acid
CYS cysteine
GLN glutamine
GLU glutamic acid
GLY glycine
HIS histidine
ILE isoleucine
LEU leucine
LYS lysine
MET methionine
PHE phenylalanine
PRO proline
SER serine
THR threonine
TRP tryptophan
TYR tyrosine
VAL valine