Project name: dc5ac21145d354c

Status: done

Started: 2025-06-03 04:49:25
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Chain sequence(s) H: EVQLVESGGGVVQPGGSLRLSCAASGFTFRSFGMSWVRQAPGKGPEWVSSISGSGSDTLYADSVKGRFTISRDNSKNTLYLQMNSLRPEDTALYYCTIGGSLSRSSQGTLVTVSS
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]                                                (00:00:01)
[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 H 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                                          (00:00:58)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:00)
Show buried residues

Minimal score value
-2.3957
Maximal score value
1.618
Average score
-0.5341
Total score value
-61.4229

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 H -1.6755
2 V H -0.6466
3 Q H -0.9503
4 L H 0.0000
5 V H 1.2239
6 E H 0.0000
7 S H 0.0657
8 G H -0.6189
9 G H 0.1230
11 G H 0.7473
12 V H 1.6180
13 V H 0.1476
14 Q H -1.2822
15 P H -1.4373
16 G H -1.3954
17 G H -0.8768
18 S H -0.9602
19 L H -0.4083
20 R H -1.2047
21 L H 0.0000
22 S H -0.1073
23 C H 0.0000
24 A H -0.0435
25 A H 0.0000
26 S H -0.7950
27 G H -1.0251
28 F H -0.4722
29 T H -0.4510
30 F H 0.0000
35 R H -2.0385
36 S H -0.7634
37 F H 0.0973
38 G H -0.5087
39 M H 0.0000
40 S H 0.3134
41 W H 0.0000
42 V H 0.3848
43 R H 0.0000
44 Q H -0.6397
45 A H 0.0000
46 P H -0.8402
47 G H -1.1181
48 K H -1.4564
49 G H -1.2250
50 P H -0.7866
51 E H -0.4775
52 W H 0.3721
53 V H 0.0000
54 S H 0.0000
55 S H 0.1228
56 I H 0.0000
57 S H -0.8681
58 G H -1.0529
59 S H -1.1342
62 G H -1.3045
63 S H -1.1103
64 D H -1.4423
65 T H -0.3045
66 L H 0.4338
67 Y H -0.2836
68 A H -0.9584
69 D H -2.3111
70 S H -1.5961
71 V H 0.0000
72 K H -2.3957
74 G H -1.6960
75 R H -1.5225
76 F H 0.0000
77 T H -0.5465
78 I H 0.0000
79 S H -0.3262
80 R H -1.1151
81 D H -1.6348
82 N H -2.0229
83 S H -1.7242
84 K H -2.2716
85 N H -1.9751
86 T H -1.0393
87 L H 0.0000
88 Y H -0.2449
89 L H 0.0000
90 Q H -0.7652
91 M H 0.0000
92 N H -1.1810
93 S H -1.1895
94 L H 0.0000
95 R H -1.9582
96 P H -1.4543
97 E H -1.2992
98 D H 0.0000
99 T H -0.1912
100 A H 0.0000
101 L H 0.5112
102 Y H 0.0000
103 Y H 0.4120
104 C H 0.0000
105 T H 0.0000
106 I H -0.2250
107 G H -0.4740
108 G H -0.4550
114 S H -0.0025
115 L H 0.7637
116 S H -0.4706
117 R H -1.6557
118 S H -1.2902
119 S H -0.7871
120 Q H -1.0228
121 G H 0.0409
122 T H 0.4325
123 L H 1.2061
124 V H 0.0000
125 T H 0.3892
126 V H 0.0000
127 S H -0.7222
128 S H -0.5993
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Laboratory of Theory of Biopolymers 2018