Project name: c5b9232f7411425

Status: done

Started: 2025-08-08 05:21:40
Settings
Chain sequence(s) A: QVQLVESGGGSVQAGGSLRLSCTASGDESHHYAGFSLGWFRQAPGQEREAVAAIYRGGGSTYYADSVKGRFTISRDNAKNTVTLQMNNLKPEDTAIYYCAAAGSGYISHEYWGQGTQVTVSGGGGSHHHHHHLEVSGWRLFKKIS
input PDB
Selected Chain(s) A
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 A 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                                          (00:01:10)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:11)
Show buried residues

Minimal score value
-3.583
Maximal score value
1.8319
Average score
-0.9093
Total score value
-131.8532

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
1 Q A -2.5078
2 V A 0.0000
3 Q A -1.6540
4 L A 0.0000
5 V A 1.1957
6 E A 0.0000
7 S A -0.4648
8 G A -1.2773
9 G A -1.1623
10 G A -0.9371
11 S A -0.7673
12 V A -0.9428
13 Q A -2.0555
14 A A -2.1919
15 G A -1.9266
16 G A -1.4258
17 S A -1.4415
18 L A -1.1995
19 R A -2.1133
20 L A 0.0000
21 S A -0.4649
22 C A 0.0000
23 T A -0.2054
24 A A 0.0000
25 S A -1.5813
26 G A -2.3864
27 D A -3.2329
28 E A -3.0565
29 S A -2.4802
30 H A -2.3060
31 H A -2.0264
32 Y A 0.0000
33 A A -1.3261
34 G A -1.2379
35 F A 0.0000
36 S A -0.5829
37 L A 0.0000
38 G A 0.0000
39 W A 0.0000
40 F A -0.2027
41 R A 0.0000
42 Q A -2.1355
43 A A -1.9498
44 P A -1.2683
45 G A -1.7485
46 Q A -2.9717
47 E A -3.5830
48 R A -3.1064
49 E A -2.4226
50 A A -0.5636
51 V A 0.0000
52 A A 0.0000
53 A A 0.4237
54 I A 0.0000
55 Y A 0.1121
56 R A -1.8074
57 G A -1.4276
58 G A -1.1491
59 G A -0.8685
60 S A -0.3206
61 T A 0.2243
62 Y A 0.5772
63 Y A -0.4985
64 A A -1.1876
65 D A -2.3477
66 S A -1.7461
67 V A 0.0000
68 K A -2.4914
69 G A -1.8492
70 R A -1.5685
71 F A 0.0000
72 T A -0.7086
73 I A 0.0000
74 S A -0.5593
75 R A -1.2427
76 D A -1.7373
77 N A -2.2154
78 A A -1.5163
79 K A -2.2943
80 N A -1.8780
81 T A -1.0124
82 V A 0.0000
83 T A -0.7747
84 L A 0.0000
85 Q A -1.1393
86 M A 0.0000
87 N A -1.7989
88 N A -2.2506
89 L A 0.0000
90 K A -2.5843
91 P A -1.9865
92 E A -2.3384
93 D A 0.0000
94 T A -1.1194
95 A A 0.0000
96 I A -0.4614
97 Y A 0.0000
98 Y A -0.0683
99 C A 0.0000
100 A A 0.0000
101 A A 0.0000
102 A A -1.0080
103 G A -0.9504
104 S A -0.4062
105 G A 0.5033
106 Y A 1.8182
107 I A 1.8319
108 S A -0.0391
109 H A -1.3700
110 E A -2.0072
111 Y A 0.0000
112 W A -0.2237
113 G A -0.0743
114 Q A -0.7821
115 G A 0.0000
116 T A -0.6208
117 Q A -1.2599
118 V A 0.0000
119 T A -1.0250
120 V A 0.0000
121 S A -1.5653
122 G A -1.8156
123 G A -1.6962
124 G A -1.5473
125 G A -1.4642
126 S A -1.6183
127 H A -2.2729
128 H A -2.5534
129 H A -2.7675
130 H A -2.4909
131 H A -2.2083
132 H A -1.5275
133 L A 0.2258
134 E A -0.8907
135 V A 1.1349
136 S A -0.0062
137 G A -0.2183
138 W A 1.0816
139 R A -0.3853
140 L A 1.1518
141 F A 1.2919
142 K A -0.8271
143 K A -0.8415
144 I A 0.8778
145 S A 0.0146
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Laboratory of Theory of Biopolymers 2018