| Chain sequence(s) |
A: KEESYAIYVYKVLKQVHPDTGISSKAMSIMNSSFVNDVFEERIAGEASRLAHYNKRSTITSREIQTAVRLLLPGELLAKHAVSEGTKAVTKYTSAKKAKTRSSRAGLQFPVGRVHRLLRKGNYAERVGAGAPVYLAAVLEYLTAEILELAGNAARDNKKTRIIPRHLQLAVRNDEELNKLLGGVTI
C: EGYQDYEPEA B: ESYAIYVYKVLKQVHPDTGISSSKAMSSIMNNSSFVNNDVFERIAGEASRLAHYNKRSTITSSREIQTAVRLLLLPGELAKHAVSEGTTKAVTKYTSAKKAKTRSSRAGLQFPVGRVHRLLRKGNYAERVGAGAPVYLAAVLEYLTAEILELAGNAARDNKKTRIIPRHLQLAVRNDEELNKLLGGVT D: PSEEGYQDYEPEA input PDB |
| Selected Chain(s) | A,B,C,D |
| 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 (00:00:01)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:13:47)
[INFO] Main: Simulation completed successfully. (00:13:52)
|
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 | |
| 35 | K | A | -1.9795 | |
| 36 | E | A | -1.3348 | |
| 37 | S | A | -0.7847 | |
| 38 | Y | A | 0.0000 | |
| 39 | A | A | 0.0112 | |
| 40 | I | A | 0.1214 | |
| 41 | Y | A | -0.0055 | |
| 42 | V | A | 0.0000 | |
| 43 | Y | A | -0.5178 | |
| 44 | K | A | -0.9011 | |
| 45 | V | A | 0.0000 | |
| 46 | L | A | 0.0000 | |
| 47 | K | A | -1.5587 | |
| 48 | Q | A | -1.6706 | |
| 49 | V | A | -1.0365 | |
| 50 | H | A | 0.0000 | |
| 51 | P | A | -1.6755 | |
| 52 | D | A | -2.2141 | |
| 53 | T | A | 0.0000 | |
| 54 | G | A | -1.2789 | |
| 55 | I | A | 0.0000 | |
| 56 | S | A | 0.0000 | |
| 57 | S | A | -1.8067 | |
| 58 | K | A | -1.9285 | |
| 59 | A | A | 0.0000 | |
| 60 | M | A | 0.0000 | |
| 61 | S | A | -0.4397 | |
| 62 | I | A | 0.2828 | |
| 63 | M | A | 0.0000 | |
| 64 | N | A | -0.6231 | |
| 65 | S | A | -0.5746 | |
| 66 | F | A | 0.0000 | |
| 67 | V | A | 0.0000 | |
| 68 | N | A | -1.6194 | |
| 69 | D | A | -1.7988 | |
| 70 | V | A | 0.0000 | |
| 71 | F | A | 0.0000 | |
| 72 | E | A | -2.6747 | |
| 73 | R | A | -2.1389 | |
| 74 | I | A | 0.0000 | |
| 75 | A | A | 0.0000 | |
| 76 | G | A | -1.6192 | |
| 77 | E | A | -1.3018 | |
| 78 | A | A | 0.0000 | |
| 79 | S | A | -1.6811 | |
| 80 | R | A | -2.1898 | |
| 81 | L | A | -1.4740 | |
| 82 | A | A | 0.0000 | |
| 83 | H | A | -2.0204 | |
| 84 | Y | A | -0.6761 | |
| 85 | N | A | -1.8181 | |
| 86 | K | A | -2.5214 | |
| 87 | R | A | -2.1570 | |
| 88 | S | A | -2.1624 | |
| 89 | T | A | -1.7536 | |
| 90 | I | A | 0.0000 | |
| 91 | T | A | -1.0083 | |
| 92 | S | A | -0.9880 | |
| 93 | R | A | -1.9389 | |
| 94 | E | A | 0.0000 | |
| 95 | I | A | 0.0000 | |
| 96 | Q | A | -1.0593 | |
| 97 | T | A | -0.8165 | |
| 98 | A | A | 0.0000 | |
| 99 | V | A | 0.0000 | |
| 100 | R | A | -1.1968 | |
| 101 | L | A | 0.6644 | |
| 102 | L | A | -0.0618 | |
| 103 | L | A | 0.0000 | |
| 104 | P | A | 0.0000 | |
| 105 | G | A | -0.9648 | |
| 106 | E | A | 0.0000 | |
| 107 | L | A | 0.0000 | |
| 108 | A | A | -0.7495 | |
| 109 | K | A | -1.2262 | |
| 110 | H | A | 0.0000 | |
| 111 | A | A | 0.0000 | |
| 112 | V | A | -0.8967 | |
| 113 | S | A | -1.1514 | |
| 114 | E | A | -1.3790 | |
| 115 | G | A | 0.0000 | |
| 116 | T | A | -1.2867 | |
| 117 | K | A | -2.1063 | |
| 118 | A | A | 0.0000 | |
| 119 | V | A | -0.9102 | |
| 120 | T | A | -1.1547 | |
| 121 | K | A | -1.8292 | |
| 122 | Y | A | -1.5494 | |
| 123 | T | A | -1.4387 | |
| 124 | S | A | -1.9406 | |
| 125 | A | A | -1.4758 | |
| 126 | K | A | -3.0052 | |
| 1014 | K | A | -3.0786 | |
| 1015 | A | A | -2.2372 | |
| 1016 | K | A | -3.1999 | |
| 1017 | T | A | -2.8343 | |
| 1018 | R | A | -2.7863 | |
| 1019 | S | A | -1.8691 | |
| 1020 | S | A | -1.7512 | |
| 1021 | R | A | -2.2655 | |
| 1022 | A | A | 0.0000 | |
| 1023 | G | A | -1.2406 | |
| 1024 | L | A | -0.4392 | |
| 1025 | Q | A | -0.5197 | |
| 1026 | F | A | 0.0000 | |
| 1027 | P | A | -0.4333 | |
| 1028 | V | A | 0.0000 | |
| 1029 | G | A | -1.1500 | |
| 1030 | R | A | -1.4379 | |
| 1031 | V | A | 0.0000 | |
| 1032 | H | A | -1.8507 | |
| 1033 | R | A | -2.7782 | |
| 1034 | L | A | -2.4172 | |
| 1035 | L | A | 0.0000 | |
| 1036 | R | A | -4.2115 | |
| 1037 | K | A | -3.4186 | |
| 1038 | G | A | -2.6266 | |
| 1039 | N | A | -3.0335 | |
| 1040 | Y | A | -2.3052 | |
| 1041 | A | A | -2.8410 | |
| 1042 | E | A | -3.3239 | |
| 1043 | R | A | -3.2986 | |
| 1044 | V | A | -1.9632 | |
| 1045 | G | A | -0.7108 | |
| 1046 | A | A | -0.2662 | |
| 1047 | G | A | -0.2974 | |
| 1048 | A | A | 0.0000 | |
| 1049 | P | A | 0.0000 | |
| 1050 | V | A | 0.0000 | |
| 1051 | Y | A | 0.0000 | |
| 1052 | L | A | 0.0000 | |
| 1053 | A | A | 0.0000 | |
| 1054 | A | A | 0.0000 | |
| 1055 | V | A | 0.0000 | |
| 1056 | L | A | 0.0000 | |
| 1057 | E | A | 0.0000 | |
| 1058 | Y | A | 0.0000 | |
| 1059 | L | A | 0.0000 | |
| 1060 | T | A | 0.0000 | |
| 1061 | A | A | 0.0000 | |
| 1062 | E | A | 0.0000 | |
| 1063 | I | A | 0.0000 | |
| 1064 | L | A | 0.0000 | |
| 1065 | E | A | -0.6229 | |
| 1066 | L | A | -0.4146 | |
| 1067 | A | A | 0.0000 | |
| 1068 | G | A | 0.0000 | |
| 1069 | N | A | -2.2783 | |
| 1070 | A | A | -2.0967 | |
| 1071 | A | A | 0.0000 | |
| 1072 | R | A | -3.1369 | |
| 1073 | D | A | -3.5580 | |
| 1074 | N | A | -3.0964 | |
| 1075 | K | A | -3.3335 | |
| 1076 | K | A | -2.4007 | |
| 1077 | T | A | -1.7500 | |
| 1078 | R | A | -1.3955 | |
| 1079 | I | A | 0.0000 | |
| 1080 | I | A | 0.0000 | |
| 1081 | P | A | -1.3188 | |
| 1082 | R | A | -1.9464 | |
| 1083 | H | A | 0.0000 | |
| 1084 | L | A | 0.0000 | |
| 1085 | Q | A | -1.7012 | |
| 1086 | L | A | -1.0159 | |
| 1087 | A | A | 0.0000 | |
| 1088 | V | A | 0.0000 | |
| 1089 | R | A | -2.9681 | |
| 1090 | N | A | -2.1788 | |
| 1091 | D | A | -2.2973 | |
| 1092 | E | A | -3.2174 | |
| 1093 | E | A | 0.0000 | |
| 1094 | L | A | 0.0000 | |
| 1095 | N | A | -2.8449 | |
| 1096 | K | A | -2.7663 | |
| 1097 | L | A | 0.0000 | |
| 1098 | L | A | -0.9032 | |
| 1099 | G | A | -0.7203 | |
| 1100 | G | A | -0.5499 | |
| 1101 | V | A | 0.0000 | |
| 1102 | T | A | 0.3196 | |
| 1103 | I | A | 1.8647 | |
| 36 | E | B | -1.9791 | |
| 37 | S | B | -1.0612 | |
| 38 | Y | B | 0.0000 | |
| 39 | A | B | 0.0176 | |
| 40 | I | B | 0.2897 | |
| 41 | Y | B | 0.0000 | |
| 42 | V | B | 0.0000 | |
| 43 | Y | B | 0.3947 | |
| 44 | K | B | -0.5313 | |
| 45 | V | B | 0.0000 | |
| 46 | L | B | 0.0000 | |
| 47 | K | B | -1.5409 | |
| 48 | Q | B | -1.6477 | |
| 49 | V | B | -0.9919 | |
| 50 | H | B | -1.3015 | |
| 51 | P | B | -1.7687 | |
| 52 | D | B | -2.1917 | |
| 53 | T | B | 0.0000 | |
| 54 | G | B | -0.5957 | |
| 55 | I | B | 0.0892 | |
| 56 | S | B | 0.0000 | |
| 57 | S | B | -1.0045 | |
| 58 | K | B | -1.5232 | |
| 59 | A | B | 0.0000 | |
| 60 | M | B | -0.1507 | |
| 61 | S | B | -0.5019 | |
| 62 | I | B | -0.0969 | |
| 63 | M | B | 0.0000 | |
| 64 | N | B | -0.7096 | |
| 65 | S | B | -0.4056 | |
| 66 | F | B | 0.0000 | |
| 67 | V | B | 0.0000 | |
| 68 | N | B | -1.4309 | |
| 69 | D | B | -1.3280 | |
| 70 | V | B | 0.0000 | |
| 71 | F | B | 0.0000 | |
| 72 | E | B | -2.4885 | |
| 73 | R | B | -1.8189 | |
| 74 | I | B | 0.0000 | |
| 75 | A | B | 0.0000 | |
| 76 | G | B | -1.6277 | |
| 77 | E | B | -1.2383 | |
| 78 | A | B | 0.0000 | |
| 79 | S | B | -1.3697 | |
| 80 | R | B | -1.9926 | |
| 81 | L | B | -1.1216 | |
| 82 | A | B | 0.0000 | |
| 83 | H | B | -1.7210 | |
| 84 | Y | B | -0.4071 | |
| 85 | N | B | -1.7430 | |
| 86 | K | B | -2.8426 | |
| 87 | R | B | -3.4705 | |
| 88 | S | B | -2.6850 | |
| 89 | T | B | 0.0000 | |
| 90 | I | B | 0.0000 | |
| 91 | T | B | -1.1882 | |
| 92 | S | B | -1.0383 | |
| 93 | R | B | -1.9916 | |
| 94 | E | B | 0.0000 | |
| 95 | I | B | 0.0000 | |
| 96 | Q | B | -1.2250 | |
| 97 | T | B | -0.9059 | |
| 98 | A | B | 0.0000 | |
| 99 | V | B | 0.0000 | |
| 100 | R | B | -1.6319 | |
| 101 | L | B | 0.6005 | |
| 102 | L | B | -0.0153 | |
| 103 | L | B | 0.0000 | |
| 104 | P | B | -1.7065 | |
| 105 | G | B | -2.2778 | |
| 106 | E | B | -2.9073 | |
| 107 | L | B | 0.0000 | |
| 108 | A | B | 0.0000 | |
| 109 | K | B | -2.9812 | |
| 110 | H | B | -1.8421 | |
| 111 | A | B | 0.0000 | |
| 112 | V | B | -1.5658 | |
| 113 | S | B | -1.3340 | |
| 114 | E | B | -1.3065 | |
| 115 | G | B | 0.0000 | |
| 116 | T | B | -1.3600 | |
| 117 | K | B | -2.1410 | |
| 118 | A | B | 0.0000 | |
| 119 | V | B | -0.7982 | |
| 120 | T | B | -1.1795 | |
| 121 | K | B | -2.0918 | |
| 122 | Y | B | 0.0000 | |
| 123 | T | B | -0.9261 | |
| 124 | S | B | -1.4208 | |
| 125 | A | B | -1.4560 | |
| 126 | K | B | -2.7997 | |
| 1014 | K | B | -3.0176 | |
| 1015 | A | B | -2.0014 | |
| 1016 | K | B | -1.6401 | |
| 1017 | T | B | 0.0000 | |
| 1018 | R | B | -0.8467 | |
| 1019 | S | B | -0.7142 | |
| 1020 | S | B | -1.1071 | |
| 1021 | R | B | -1.5923 | |
| 1022 | A | B | 0.0000 | |
| 1023 | G | B | -1.0602 | |
| 1024 | L | B | -0.4675 | |
| 1025 | Q | B | -0.6534 | |
| 1026 | F | B | 0.0000 | |
| 1027 | P | B | -0.5551 | |
| 1028 | V | B | 0.0000 | |
| 1029 | G | B | 0.0000 | |
| 1030 | R | B | -1.1515 | |
| 1031 | V | B | 0.0000 | |
| 1032 | H | B | -1.2891 | |
| 1033 | R | B | -2.0594 | |
| 1034 | L | B | -2.1943 | |
| 1035 | L | B | 0.0000 | |
| 1036 | R | B | -4.0030 | |
| 1037 | K | B | -3.2886 | |
| 1038 | G | B | -2.6106 | |
| 1039 | N | B | -3.0540 | |
| 1040 | Y | B | -2.2609 | |
| 1041 | A | B | -2.8216 | |
| 1042 | E | B | -3.5404 | |
| 1043 | R | B | -3.5338 | |
| 1044 | V | B | 0.0000 | |
| 1045 | G | B | -0.7390 | |
| 1046 | A | B | -0.2167 | |
| 1047 | G | B | -0.2891 | |
| 1048 | A | B | 0.0000 | |
| 1049 | P | B | 0.0000 | |
| 1050 | V | B | 0.0000 | |
| 1051 | Y | B | 0.0000 | |
| 1052 | L | B | 0.0000 | |
| 1053 | A | B | 0.0000 | |
| 1054 | A | B | 0.0000 | |
| 1055 | V | B | 0.0000 | |
| 1056 | L | B | 0.0000 | |
| 1057 | E | B | -0.3313 | |
| 1058 | Y | B | -0.2584 | |
| 1059 | L | B | 0.0000 | |
| 1060 | T | B | 0.0000 | |
| 1061 | A | B | -0.7753 | |
| 1062 | E | B | -0.9086 | |
| 1063 | I | B | 0.0000 | |
| 1064 | L | B | 0.0000 | |
| 1065 | E | B | -1.2198 | |
| 1066 | L | B | -0.6919 | |
| 1067 | A | B | 0.0000 | |
| 1068 | G | B | 0.0000 | |
| 1069 | N | B | -1.7551 | |
| 1070 | A | B | -1.7720 | |
| 1071 | A | B | 0.0000 | |
| 1072 | R | B | -3.6519 | |
| 1073 | D | B | -3.5071 | |
| 1074 | N | B | -3.2932 | |
| 1075 | K | B | -3.3658 | |
| 1076 | K | B | -2.4669 | |
| 1077 | T | B | -1.7904 | |
| 1078 | R | B | -1.2764 | |
| 1079 | I | B | 0.0000 | |
| 1080 | I | B | -0.3205 | |
| 1081 | P | B | -0.6754 | |
| 1082 | R | B | -1.3330 | |
| 1083 | H | B | 0.0000 | |
| 1084 | L | B | 0.0000 | |
| 1085 | Q | B | -1.6106 | |
| 1086 | L | B | -1.5438 | |
| 1087 | A | B | 0.0000 | |
| 1088 | V | B | 0.0000 | |
| 1089 | R | B | -3.6935 | |
| 1090 | N | B | -3.0471 | |
| 1091 | D | B | -3.0381 | |
| 1092 | E | B | -3.7476 | |
| 1093 | E | B | -3.1154 | |
| 1094 | L | B | 0.0000 | |
| 1095 | N | B | -3.4709 | |
| 1096 | K | B | -3.1484 | |
| 1097 | L | B | 0.0000 | |
| 1098 | L | B | 0.0000 | |
| 1099 | G | B | -2.0017 | |
| 1100 | G | B | -0.9229 | |
| 1101 | V | B | -0.1265 | |
| 1102 | T | B | -0.0484 | |
| 131 | E | C | -1.7139 | |
| 132 | G | C | -1.0097 | |
| 133 | Y | C | 0.0017 | |
| 134 | Q | C | -1.0325 | |
| 135 | D | C | -2.0200 | |
| 136 | Y | C | -1.8204 | |
| 137 | E | C | -2.4271 | |
| 138 | P | C | -1.6596 | |
| 139 | E | C | -1.1385 | |
| 140 | A | C | -0.2744 | |
| 128 | P | D | -1.1587 | |
| 129 | S | D | -1.7965 | |
| 130 | E | D | -2.7691 | |
| 131 | E | D | -2.7771 | |
| 132 | G | D | -1.2378 | |
| 133 | Y | D | -0.0310 | |
| 134 | Q | D | -1.3682 | |
| 135 | D | D | -1.5611 | |
| 136 | Y | D | 0.2467 | |
| 137 | E | D | -0.7366 | |
| 138 | P | D | -1.1276 | |
| 139 | E | D | -1.8709 | |
| 140 | A | D | -0.8642 |
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