Project name: 9b1ce0e396b5522

Status: done

Started: 2026-05-07 02:20:22
Settings
Chain sequence(s) A: EVQLVESGGGLVQPGGSLRLSCAASGFTISNYGMSWVRQAPGKGLEWVSAITVSGGRAYYADSVKGRFTISRDNAKNTVYLQMNSLRAEDTAVYYCARDRVVVAGIAFDYWGQGTLVTVSS
input PDB
Selected Chain(s) A
Distance of aggregation 10 Å
FoldX usage No
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]       runJob:   FoldX not utilized. Treating input pdb file as it was already optimized.    (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:02)
Show buried residues

Minimal score value
-2.5112
Maximal score value
2.4143
Average score
-0.3781
Total score value
-45.7472

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
2 E A -2.0091
3 V A -0.9049
4 Q A -0.8203
5 L A 0.0000
6 V A 1.2148
7 E A 0.5059
8 S A -0.1298
9 G A -0.6620
10 G A 0.0885
11 G A 0.6893
12 L A 1.4013
13 V A -0.0675
14 Q A -1.4204
15 P A -1.9326
16 G A -1.5077
17 G A -1.0682
18 S A -1.2800
19 L A -0.9607
20 R A -2.0170
21 L A 0.0000
22 S A -0.4031
23 C A 0.0000
24 A A -0.0133
25 A A 0.0000
26 S A -0.6810
27 G A -1.0979
28 F A -0.5973
29 T A -0.4980
30 I A 0.0000
31 S A -0.8323
32 N A -0.5075
33 Y A 0.3680
34 G A 0.0000
35 M A 0.0000
36 S A 0.0000
37 W A 0.0000
38 V A 0.0000
39 R A 0.0000
40 Q A -0.3652
41 A A -0.9749
42 P A -0.9429
43 G A -1.4109
44 K A -2.1067
45 G A -0.9589
46 L A 0.4780
47 E A -0.4045
48 W A 0.2954
49 V A 0.0000
50 S A 0.0000
51 A A 0.0000
52 I A 0.0000
53 T A 0.0000
54 V A 0.1689
55 S A -0.7302
56 G A -1.1846
57 G A -1.2924
58 R A -1.7646
59 A A -0.6976
60 Y A -0.1892
61 Y A -0.4682
62 A A -1.1317
63 D A -2.3920
64 S A -1.5687
65 V A 0.0000
66 K A -2.5112
67 G A -1.7089
68 R A -1.2636
69 F A 0.0000
70 T A -0.7455
71 I A 0.0000
72 S A -0.6513
73 R A -0.9228
74 D A -1.4969
75 N A -1.5995
76 A A -1.3079
77 K A -2.2464
78 N A -1.6815
79 T A -0.9410
80 V A 0.0000
81 Y A -0.5655
82 L A 0.0000
83 Q A -1.2008
84 M A 0.0000
85 N A -1.4502
86 S A -1.3003
87 L A 0.0000
88 R A -2.5002
89 A A -1.8392
90 E A -2.2721
91 D A 0.0000
92 T A -0.4606
93 A A 0.0000
94 V A 0.9475
95 Y A 0.0000
96 Y A 0.6448
97 C A 0.0000
98 A A 0.0000
99 R A 0.0000
100 D A 0.0000
101 R A 0.3055
102 V A 1.9512
103 V A 2.3334
104 V A 2.2777
105 A A 1.6515
106 G A 0.0000
107 I A 2.4143
108 A A 0.9105
109 F A 0.7725
110 D A -0.3990
111 Y A 0.4755
112 W A 0.6836
113 G A 0.0000
114 Q A -0.6111
115 G A 0.1563
116 T A 0.6095
117 L A 1.5594
118 V A 0.0000
119 T A 0.3356
120 V A 0.0000
121 S A -0.8116
122 S A -0.5052
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Laboratory of Theory of Biopolymers 2018