Project name: design-26-s06

Status: done

Started: 2026-04-09 12:16:25
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Chain sequence(s) H: QVQLVESGGGLVQPGGSLRLSCAASGASRPISSYSWAWFRQAPGQGLEAVAAIGGDGSYSVYHPAVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCAAGGGGPSDGKEYWGQGTLVTVS
input PDB
Selected Chain(s) H
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 H 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
-2.7568
Maximal score value
1.6993
Average score
-0.6283
Total score value
-76.0201

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 H -1.5861
2 V H -1.3019
3 Q H -1.2494
4 L H 0.0000
5 V H 0.9110
6 E H 0.0000
7 S H -0.1865
8 G H -0.5054
9 G H 0.2047
10 G H 0.8771
11 L H 1.3862
12 V H -0.0590
13 Q H -1.3563
14 P H -1.6753
15 G H -1.4641
16 G H -0.9688
17 S H -1.1046
18 L H -0.6831
19 R H -1.6918
20 L H 0.0000
21 S H -0.2961
22 C H 0.0000
23 A H -0.2037
24 A H 0.0000
25 S H -0.7465
26 G H -1.3633
27 A H -1.3407
28 S H -1.2574
29 R H -1.6658
30 P H -1.1405
31 I H -1.1467
32 S H -1.3572
33 S H -0.9691
34 Y H 0.0000
35 S H -0.6294
36 W H 0.0000
37 A H 0.0000
38 W H 0.0000
39 F H 0.0000
40 R H 0.0000
41 Q H -0.4398
42 A H -0.8494
43 P H -0.9915
44 G H -1.2220
45 Q H -1.6516
46 G H -0.8286
47 L H 0.3831
48 E H -0.3668
49 A H -0.0761
50 V H 0.0000
51 A H 0.0000
52 A H 0.4233
53 I H 0.0000
54 G H -0.3958
55 G H -1.1687
56 D H -1.9864
57 G H -1.1335
58 S H -0.3061
59 Y H 0.9972
60 S H 1.0325
61 V H 1.1023
62 Y H -0.0188
63 H H -0.5988
64 P H -0.8173
65 A H -0.8724
66 V H 0.0000
67 K H -1.8510
68 G H -1.4277
69 R H 0.0000
70 F H 0.0000
71 T H -0.5929
72 I H 0.0000
73 S H -0.3756
74 R H -1.4472
75 D H -1.8863
76 N H -2.4224
77 S H -1.8359
78 K H -2.5576
79 N H -1.9394
80 T H -1.1346
81 L H 0.0000
82 Y H -0.5396
83 L H 0.0000
84 Q H -0.9722
85 M H 0.0000
86 N H -1.2683
87 S H -1.2193
88 L H 0.0000
89 R H -2.3685
90 A H -1.7814
91 E H -2.2524
92 D H 0.0000
93 T H -0.4332
94 A H 0.0000
95 V H 0.8315
96 Y H 0.0000
97 Y H 0.4390
98 C H 0.0000
99 A H 0.0000
100 A H 0.0000
101 G H -1.0537
102 G H -1.4787
103 G H -1.1390
104 G H -1.3397
105 P H -1.3429
106 S H -1.6807
107 D H -2.7568
108 G H -2.4462
109 K H -2.5188
110 E H -1.4908
111 Y H -0.4740
112 W H 0.0738
113 G H -0.0755
114 Q H -0.8560
115 G H 0.0812
116 T H 0.6011
117 L H 1.6993
118 V H 0.0000
119 T H 0.3433
120 V H 0.0000
121 S H -0.7761
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Laboratory of Theory of Biopolymers 2018