Project name: 1666e811b2822e1

Status: done

Started: 2026-04-20 07:25:46
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Chain sequence(s) C: EVQLVESGGGLVQPGGSLRLSCAASGSARGANAAWFRQAPGKGRELVARAGPLGPVVPPGLAGRFTISRDNAKRMVYLQMNSLRAEDTAVYYCAAVDPSGELPALPLTGWGQGTQVTVSS
input PDB
Selected Chain(s) C
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 C 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                                          (00:00:52)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:52)
Show buried residues

Minimal score value
-3.0167
Maximal score value
1.5992
Average score
-0.6865
Total score value
-82.382

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 E C -1.9332
2 V C -1.0880
3 Q C -0.8093
4 L C 0.0000
5 V C 1.3641
6 E C 0.0000
7 S C -0.5287
8 G C -0.9764
9 G C -0.7588
10 G C 0.1286
11 L C 0.9991
12 V C 0.0226
13 Q C -1.2851
14 P C -1.4701
15 G C -1.3609
16 G C -0.8877
17 S C -1.0808
18 L C -0.8769
19 R C -2.0787
20 L C 0.0000
21 S C -0.5194
22 C C 0.0000
23 A C -0.1286
24 A C 0.0000
25 S C -1.0867
26 G C -1.3628
27 S C -1.3575
28 A C 0.0000
29 R C -2.1257
30 G C 0.0000
31 A C -2.1189
32 N C -1.6025
33 A C 0.0000
34 A C 0.0000
35 W C 0.0000
36 F C -0.4595
37 R C 0.0000
38 Q C -1.8699
39 A C -1.8188
40 P C -1.2405
41 G C -1.7271
42 K C -2.8491
43 G C -2.5812
44 R C -2.7269
45 E C -2.2891
46 L C -0.5752
47 V C 0.0000
48 A C 0.0000
49 R C -0.7621
50 A C -0.6459
51 G C -0.0244
52 P C 0.3498
53 L C 1.3544
54 G C 0.4119
55 P C 0.0419
56 V C 0.6331
57 V C 0.2193
58 P C -0.2563
59 P C -0.4186
60 G C -0.6567
61 L C 0.0000
62 A C -0.3335
63 G C -0.7519
64 R C -0.9818
65 F C 0.0000
66 T C -0.6292
67 I C 0.0000
68 S C -1.4294
69 R C -2.7868
70 D C -2.5908
71 N C -3.0167
72 A C -1.9640
73 K C -2.7990
74 R C -2.8383
75 M C -1.8436
76 V C 0.0000
77 Y C -1.0330
78 L C 0.0000
79 Q C -1.2533
80 M C 0.0000
81 N C -1.3791
82 S C -1.2225
83 L C 0.0000
84 R C -2.2263
85 A C -1.7153
86 E C -2.2129
87 D C 0.0000
88 T C -0.8251
89 A C 0.0000
90 V C -0.4181
91 Y C 0.0000
92 Y C 0.0324
93 C C 0.0000
94 A C 0.0000
95 A C 0.0000
96 V C -0.2096
97 D C -0.8444
98 P C -1.0825
99 S C -1.1040
100 G C -1.2692
101 E C -1.9862
102 L C -0.2939
103 P C -0.0499
104 A C 0.5868
105 L C 1.5992
106 P C 0.3910
107 L C 0.6204
108 T C 0.0960
109 G C -0.2218
110 W C 0.4279
111 G C 0.1178
112 Q C -0.8058
113 G C 0.0000
114 T C -0.6272
115 Q C -1.0758
116 V C 0.0000
117 T C -0.2919
118 V C 0.0000
119 S C -0.7628
120 S C -0.5647
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Laboratory of Theory of Biopolymers 2018