Project name: 761eb787615e44d

Status: done

Started: 2026-06-08 09:56:20
Settings
Chain sequence(s) H: EVQLVESGGGLVQPGRSLRLSCAASGFTFSSYAMNWVRRTPGKGLDWVSTISGIGKNTYYADSVKGRFTISRDNSKNTLYLQMNSLRADDTAVYYCAKTTFPGIVGEVDAFDIWGHGTMVTVSS
L: QSVLTQPPSVSVAPGKTATITCGGNNIGSKSVHWYQQKPGQAPVMVIYYDTDRPSGIPERFSGSNSGNTATLTISRVEAGDEADYYCQAWDSHIDHFVFGAGTKVTVL
input PDB
Selected Chain(s) H,L
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 all 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                                          (00:00:56)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:57)
Show buried residues

Minimal score value
-2.8149
Maximal score value
1.972
Average score
-0.5205
Total score value
-120.762

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 -1.7723
2 V H -0.6154
3 Q H -0.6999
4 L H 0.0000
5 V H 0.3736
6 E H 0.0000
7 S H -0.3988
8 G H -0.6543
9 G H -0.0776
11 G H 0.5308
12 L H 1.2591
13 V H -0.3846
14 Q H -1.7536
15 P H -2.0052
16 G H -2.1471
17 R H -2.7265
18 S H -1.6555
19 L H -0.8329
20 R H -1.0818
21 L H 0.0000
22 S H -0.2894
23 C H 0.0000
24 A H -0.2714
25 A H 0.0000
26 S H -0.7465
27 G H -0.8590
28 F H -0.2803
29 T H -0.1613
30 F H 0.0000
35 S H -0.3187
36 S H 0.3651
37 Y H 0.7310
38 A H 0.3308
39 M H 0.0000
40 N H 0.0000
41 W H 0.0000
42 V H 0.0000
43 R H 0.0000
44 R H -0.8820
45 T H -1.2661
46 P H -1.2623
47 G H -1.4760
48 K H -2.1898
49 G H -1.2956
50 L H 0.0000
51 D H -0.8072
52 W H 0.0000
53 V H 0.0000
54 S H 0.0000
55 T H 0.0000
56 I H 0.0000
57 S H -0.0756
58 G H 0.3791
59 I H 1.1518
62 G H -0.3595
63 K H -1.3978
64 N H -0.9767
65 T H -0.6085
66 Y H -0.3556
67 Y H -0.7697
68 A H -1.2069
69 D H -2.3242
70 S H -1.6635
71 V H 0.0000
72 K H -2.1630
74 G H -1.5252
75 R H -1.2952
76 F H 0.0000
77 T H -0.5772
78 I H 0.0000
79 S H -0.5089
80 R H -0.6395
81 D H -1.2624
82 N H -1.3994
83 S H -1.5736
84 K H -2.3529
85 N H -1.6681
86 T H -1.0228
87 L H 0.0000
88 Y H -0.2727
89 L H 0.0000
90 Q H -0.7192
91 M H 0.0000
92 N H -1.5922
93 S H -1.7208
94 L H 0.0000
95 R H -2.3271
96 A H -1.6067
97 D H -2.1811
98 D H 0.0000
99 T H -0.5552
100 A H 0.0000
101 V H 0.2683
102 Y H 0.0000
103 Y H 0.0000
104 C H 0.0000
105 A H 0.0000
106 K H 0.0000
107 T H 0.0000
108 T H 0.3893
109 F H 0.7495
110 P H 0.5986
111 G H 0.9276
111A I H 1.9720
111B V H 1.0501
112B G H -0.2434
112A E H -1.2628
112 V H -0.0471
113 D H 0.0000
114 A H 0.0000
115 F H 0.0000
116 D H -0.0442
117 I H 0.2566
118 W H 0.0000
119 G H 0.0000
120 H H -1.1110
121 G H -0.4798
122 T H -0.0031
123 M H 0.5246
124 V H 0.0000
125 T H 0.1232
126 V H 0.0000
127 S H -0.6328
128 S H -0.6494
1 Q L -0.7870
2 S L -0.1014
3 V L 1.2016
4 L L 0.0000
5 T L 0.1887
6 Q L 0.0000
7 P L -0.3574
8 P L -0.5866
9 S L -0.6314
11 V L -0.1719
12 S L 0.2011
13 V L 0.0450
14 A L -0.2661
15 P L -1.2849
16 G L -2.3494
17 K L -2.6309
18 T L -1.6015
19 A L 0.0000
20 T L -0.0644
21 I L 0.0000
22 T L -0.1426
23 C L 0.0000
24 G L -0.8194
25 G L -1.2445
26 N L -2.2395
27 N L -2.8149
28 I L 0.0000
29 G L -1.9587
36 S L -1.4015
37 K L -0.9181
38 S L -0.2414
39 V L 0.0000
40 H L 0.0000
41 W L 0.0000
42 Y L 0.0000
43 Q L -0.1047
44 Q L 0.0000
45 K L -1.3230
46 P L -1.2376
47 G L -1.4250
48 Q L -1.6866
49 A L -0.7266
50 P L 0.0000
51 V L 1.2941
52 M L 0.0000
53 V L 0.0000
54 I L 0.0000
55 Y L -0.3518
56 Y L -0.2252
57 D L -0.7871
65 T L -0.9136
66 D L -1.6791
67 R L -1.5396
68 P L -0.6545
69 S L -0.6668
70 G L -0.7644
71 I L -0.5755
72 P L -1.1286
74 E L -2.1245
75 R L 0.0000
76 F L 0.0000
77 S L -0.9232
78 G L 0.0000
79 S L -0.6577
80 N L -0.9973
83 S L -1.4173
84 G L -2.0803
85 N L -2.6510
86 T L -1.4679
87 A L 0.0000
88 T L -0.2881
89 L L 0.0000
90 T L -0.2806
91 I L 0.0000
92 S L -1.7541
93 R L -2.6046
94 V L 0.0000
95 E L -2.4590
96 A L -0.9725
97 G L -1.2845
98 D L 0.0000
99 E L -1.2431
100 A L 0.0000
101 D L -1.0569
102 Y L 0.0000
103 Y L 0.0000
104 C L 0.0000
105 Q L 0.0000
106 A L 0.0000
107 W L -0.3679
108 D L 0.0000
109 S L -0.8872
110 H L -0.9945
113 I L -0.1467
114 D L -0.6317
115 H L -0.4525
116 F L 0.0000
117 V L 0.2916
118 F L 0.0000
119 G L 0.0000
120 A L -0.1883
121 G L 0.0000
122 T L 0.0000
123 K L -1.1984
124 V L 0.0000
125 T L 0.0639
126 V L 0.1602
127 L L 1.4296
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Laboratory of Theory of Biopolymers 2018