Project name: 9623fe4e701b5f7

Status: done

Started: 2026-07-29 09:38:51
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Chain sequence(s) A: EVQLVESGGGLVQPGGSLRLSCAASGFIFSSYSMGWFRQAPGKGLEGVSYISITGSTTTYADSVKGRFTISRDNAKNTLYLQMNSLRAEDTAVYYCAVLSAPGTPPWLQNYGGDYWGQGTLVTVSS
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                                          (00:00:43)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:44)
Show buried residues

Minimal score value
-2.7814
Maximal score value
1.9151
Average score
-0.5383
Total score value
-67.2894

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 A -2.0309
2 V A -1.0622
3 Q A -1.3634
4 L A 0.0000
5 V A 0.4271
6 E A 0.0000
7 S A -0.1989
8 G A -0.6052
9 G A 0.2658
10 G A 0.7093
11 L A 1.3088
12 V A 0.0000
13 Q A -1.4972
14 P A -1.8961
15 G A -1.5623
16 G A -1.0886
17 S A -1.2733
18 L A -1.0901
19 R A -2.2397
20 L A 0.0000
21 S A -0.4900
22 C A 0.0000
23 A A -0.4101
24 A A 0.0000
25 S A -0.6899
26 G A -0.7485
27 F A 0.6590
28 I A 1.9151
29 F A 0.0000
30 S A 0.1701
31 S A 0.7224
32 Y A 0.8748
33 S A 0.0000
34 M A 0.0000
35 G A 0.0000
36 W A 0.0000
37 F A 0.0000
38 R A 0.0000
39 Q A -0.9285
40 A A -1.2436
41 P A -1.3407
42 G A -1.5799
43 K A -2.3564
44 G A -1.5098
45 L A -0.5606
46 E A -0.4528
47 G A 0.0000
48 V A 0.0000
49 S A 0.0000
50 Y A 0.0000
51 I A 0.0000
52 S A 0.0000
53 I A 0.2277
54 T A -0.1898
55 G A -0.3835
56 S A -0.3107
57 T A -0.2571
58 T A -0.1697
59 T A -0.4013
60 Y A -0.8973
61 A A -1.2893
62 D A -2.4643
63 S A -1.7570
64 V A 0.0000
65 K A -2.5805
66 G A -1.7597
67 R A -1.5247
68 F A 0.0000
69 T A -1.0044
70 I A 0.0000
71 S A -0.5632
72 R A -0.9138
73 D A -1.5383
74 N A -1.3605
75 A A -1.4396
76 K A -2.3556
77 N A -1.5505
78 T A -1.0786
79 L A 0.0000
80 Y A -0.6198
81 L A 0.0000
82 Q A -1.5831
83 M A 0.0000
84 N A -1.5942
85 S A -1.4177
86 L A 0.0000
87 R A -2.7814
88 A A -1.9829
89 E A -2.4316
90 D A 0.0000
91 T A -0.5598
92 A A 0.0000
93 V A 0.7378
94 Y A 0.0000
95 Y A 0.3399
96 C A 0.0000
97 A A 0.0000
98 V A 0.0000
99 L A 0.0000
100 S A -0.3673
101 A A -0.1767
102 P A -0.2654
103 G A -0.3547
104 T A -0.2172
105 P A -0.3854
106 P A -0.8310
107 W A 0.0000
108 L A -0.2785
109 Q A -1.5113
110 N A -1.7028
111 Y A -0.7495
112 G A -1.0433
113 G A -0.5768
114 D A -0.8217
115 Y A -0.0592
116 W A 0.1715
117 G A -0.1890
118 Q A -0.8117
119 G A 0.0000
120 T A 0.6022
121 L A 1.6010
122 V A 0.0000
123 T A 0.2501
124 V A 0.0000
125 S A -0.9519
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Laboratory of Theory of Biopolymers 2018