Project name: cd9ce9eef0455fe

Status: done

Started: 2026-06-14 04:27:22
Settings
Chain sequence(s) A: QVQLVESGGGLVQPGGSLRLSCAASGFTFSSYGMGWFRQAPGQGLEAVAATSSGGGSTYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCASGLAGEMTETSSSDYWGQGTLVTVSS
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:44)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:44)
Show buried residues

Minimal score value
-2.9324
Maximal score value
1.6986
Average score
-0.5788
Total score value
-71.1899

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 -1.5148
2 V A -0.9402
3 Q A -1.0208
4 L A 0.0000
5 V A 1.1489
6 E A 0.4043
7 S A -0.1264
8 G A -0.7260
9 G A 0.1005
10 G A 0.6996
11 L A 1.4211
12 V A -0.0836
13 Q A -1.4468
14 P A -1.8514
15 G A -1.5710
16 G A -1.0598
17 S A -1.3170
18 L A -0.9076
19 R A -2.1403
20 L A 0.0000
21 S A -0.4047
22 C A 0.0000
23 A A -0.1402
24 A A 0.0000
25 S A -0.9058
26 G A -1.0315
27 F A -0.3574
28 T A -0.2163
29 F A 0.0000
30 S A -0.7182
31 S A -0.2645
32 Y A 0.2113
33 G A 0.0000
34 M A 0.0000
35 G A 0.0000
36 W A 0.0000
37 F A 0.2800
38 R A -0.0651
39 Q A -0.4946
40 A A -0.9080
41 P A -0.9960
42 G A -1.2180
43 Q A -1.7065
44 G A -0.9309
45 L A 0.2387
46 E A -0.4863
47 A A 0.1152
48 V A 0.0000
49 A A 0.0000
50 A A 0.4371
51 T A 0.0000
52 S A -0.5975
53 S A -0.6388
54 G A -1.0477
55 G A -1.0477
56 G A -0.8711
57 S A -0.4472
58 T A 0.2645
59 Y A 0.8752
60 Y A -0.2051
61 A A 0.0000
62 D A -2.3438
63 S A -1.7603
64 V A 0.0000
65 K A -2.4517
66 G A -1.7519
67 R A -1.5248
68 F A 0.0000
69 T A -0.7068
70 I A 0.0000
71 S A -0.5461
72 R A -1.2940
73 D A -1.9863
74 N A -2.0996
75 S A -1.7599
76 K A -2.5191
77 N A -1.8766
78 T A 0.0000
79 L A 0.0000
80 Y A -0.6628
81 L A 0.0000
82 Q A -1.2902
83 M A 0.0000
84 N A -1.5467
85 S A -1.4254
86 L A 0.0000
87 R A -2.9324
88 A A -2.0232
89 E A -2.4660
90 D A 0.0000
91 T A -0.5196
92 A A 0.0000
93 V A 0.8512
94 Y A 0.0000
95 Y A 0.4823
96 C A 0.0000
97 A A 0.0000
98 S A 0.0000
99 G A 0.0000
100 L A -0.2705
101 A A -0.8286
102 G A -1.0380
103 E A -1.7879
104 M A -0.3872
105 T A -1.1603
106 E A -1.9498
107 T A -1.1377
108 S A -1.0622
109 S A -0.9573
110 S A -0.9782
111 D A -1.5488
112 Y A -0.4126
113 W A 0.0794
114 G A -0.1360
115 Q A -0.8116
116 G A 0.1352
117 T A 0.6044
118 L A 1.6986
119 V A 0.0000
120 T A 0.3352
121 V A 0.0000
122 S A -0.7399
123 S A -0.4740
Download PDB file
View in 3Dmol
Play the video

Laboratory of Theory of Biopolymers 2018