Project name: 3feaaae97f0da0a

Status: done

Started: 2026-04-10 19:42:18
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Chain sequence(s) H: EVQLVESGGGVVQPGGSLKLSCVASGTDFSINFIRWYRQAPGKQREFVAGFTATGNTNYADSMKGRFTISRDNTKNAVYLQIDSLKPEDTAVYYCYMLDKWGQGTQVTVSS
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                                          (00:01:14)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:15)
Show buried residues

Minimal score value
-2.9844
Maximal score value
1.5345
Average score
-0.7981
Total score value
-88.5899

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 -2.1364
2 V H -1.9092
3 Q H -1.0983
4 L H 0.4377
5 V H 1.5345
6 E H 0.4717
7 S H -0.3773
9 G H -1.1411
10 G H -0.6913
11 G H 0.3192
12 V H 1.2976
13 V H 0.0398
14 Q H -1.3439
15 P H -1.3753
16 G H -1.4599
17 G H -0.9006
18 S H -1.0740
19 L H -0.7856
20 K H -1.8873
21 L H 0.0000
22 S H -0.1019
23 C H 0.0000
24 V H 0.8886
25 A H 0.0000
26 S H -1.0291
27 G H -1.6394
29 T H -1.6571
30 D H -1.9031
31 F H 0.0000
32 S H -0.7881
33 I H -0.0645
39 N H -0.1923
40 F H 0.5283
41 I H 0.0000
42 R H -0.0210
43 W H 0.0000
44 Y H -0.3447
45 R H 0.0000
46 Q H -1.6842
47 A H -1.6943
48 P H -1.1699
49 G H -1.6934
50 K H -2.9844
51 Q H -2.8153
52 R H -2.1062
53 E H -1.7734
54 F H -0.6096
55 V H 0.0000
56 A H 0.0000
57 G H 0.0000
58 F H -0.5538
59 T H -0.6363
60 A H -0.4888
65 T H -0.5505
66 G H -1.1613
67 N H -1.5763
68 T H -1.2047
69 N H -1.8076
70 Y H -1.2919
71 A H -1.4982
72 D H -2.4977
73 S H -1.5903
74 M H 0.0000
75 K H -2.7333
76 G H -1.7820
77 R H -1.4422
78 F H 0.0000
79 T H -0.8994
80 I H 0.0000
81 S H -0.4902
82 R H -1.0225
83 D H -1.5617
84 N H -2.2975
85 T H -1.7435
86 K H -2.3244
87 N H -1.7742
88 A H 0.0000
89 V H 0.0000
90 Y H -0.1320
91 L H 0.0000
92 Q H -1.0513
93 I H 0.0000
94 D H -1.5883
95 S H -1.3488
96 L H 0.0000
97 K H -2.5121
98 P H -2.0442
99 E H -2.3865
100 D H 0.0000
101 T H -0.8407
102 A H 0.0000
103 V H -0.2786
104 Y H 0.0000
105 Y H -0.0558
106 C H 0.0000
107 Y H -0.1053
108 M H 0.0000
109 L H -0.3659
137 D H -1.8372
138 K H -1.5857
139 W H -0.3922
140 G H -0.1828
141 Q H -0.7188
142 G H -0.4504
143 T H -0.6504
144 Q H -0.7186
145 V H 0.0000
146 T H -0.1820
147 V H 0.0000
148 S H -0.7921
149 S H -0.5072
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Laboratory of Theory of Biopolymers 2018