Project name: b2fsds

Status: done

Started: 2026-02-12 09:33:24
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Chain sequence(s) H: EVQLVESGGGLVQPGGSLRLSCAASGSIFSINAMGWYRQAPGKQRELVAVITSGGSTIYADSVKGRFTISRDNAKNTVYLQMNSLRPEDTAVYYCNAHVGLKVPTIQELSLGFGSWGQGTLVTVSS
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                                          (00:00:56)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:57)
Show buried residues

Minimal score value
-2.6116
Maximal score value
2.2373
Average score
-0.3334
Total score value
-42.0037

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 -2.2357
2 V H 0.0000
3 Q H -1.3861
4 L H 0.0000
5 V H 1.1018
6 E H 0.0000
7 S H -0.1436
8 G H -0.6275
9 G H 0.2574
11 G H 0.9412
12 L H 1.5088
13 V H 0.0331
14 Q H -1.3265
15 P H -1.5863
16 G H -1.3736
17 G H -0.8909
18 S H -0.9865
19 L H -0.4838
20 R H -1.2535
21 L H 0.0000
22 S H -0.1961
23 C H 0.0000
24 A H -0.2825
25 A H 0.0000
26 S H -0.7711
27 G H -0.9501
28 S H -0.2025
29 I H 0.6285
30 F H 2.2373
35 S H 1.1478
36 I H 0.0000
37 N H 0.0983
38 A H -0.5972
39 M H 0.0000
40 G H 0.0000
41 W H 0.0000
42 Y H 0.3125
43 R H 0.0000
44 Q H -0.9083
45 A H 0.0000
46 P H -0.9400
47 G H -1.3148
48 K H -1.8966
49 Q H -2.1189
50 R H -1.5250
51 E H -0.8232
52 L H 0.5442
53 V H 0.0000
54 A H 0.0000
55 V H 0.9704
56 I H 0.0000
57 T H -0.4664
58 S H -0.7394
59 G H -0.8509
63 G H -0.8382
64 S H -0.1181
65 T H 0.8022
66 I H 1.8230
67 Y H 0.3576
68 A H -0.7293
69 D H -2.2459
70 S H -1.7149
71 V H 0.0000
72 K H -2.3076
74 G H -1.7068
75 R H -1.4197
76 F H 0.0000
77 T H -0.4177
78 I H 0.0000
79 S H -0.5497
80 R H -1.4293
81 D H -2.1886
82 N H -2.4101
83 A H -1.7799
84 K H -2.6116
85 N H -2.0193
86 T H 0.0000
87 V H 0.0000
88 Y H -0.4371
89 L H 0.0000
90 Q H -0.8163
91 M H 0.0000
92 N H -1.2064
93 S H -1.2041
94 L H 0.0000
95 R H -2.3123
96 P H -1.9144
97 E H -2.3302
98 D H 0.0000
99 T H -0.4339
100 A H 0.0000
101 V H 0.7769
102 Y H 0.0000
103 Y H 0.4314
104 C H 0.0000
105 N H 0.0000
106 A H 0.0000
107 H H -0.7991
108 V H 0.1966
109 G H 0.0000
110 L H 1.3116
111 K H -0.0377
111A V H 1.1845
111B P H 0.1471
111C T H 0.2803
112D I H 0.5834
112C Q H 0.1213
112B E H -0.7027
112A L H 0.9567
112 S H 0.7569
113 L H 1.4044
114 G H 0.2603
115 F H 0.9271
116 G H -0.2474
117 S H -0.5899
118 W H 0.0720
119 G H -0.2210
120 Q H -0.5524
121 G H 0.0000
122 T H 0.6459
123 L H 1.6592
124 V H 0.0000
125 T H 0.3748
126 V H 0.0000
127 S H -0.8026
128 S H -0.8870
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Laboratory of Theory of Biopolymers 2018