Project name: f8721c0abca68f8

Status: done

Started: 2025-06-03 04:51:44
Settings
Chain sequence(s) H: EVQLVESGGGLVQPGGSLRLSCAASGFTFDDAWMSWVRQAPGKGLEWVAEISTKANNHATYYAESVKGRFTISRDDSKSSVYLQMNSLRAEDTAVYYCTRLATWDWYFDVWGQGTTVTVSS
L: DIVLTQSPSSLSASVGDRVTITCRASQSVDYDGDSYMNWYQQKPGKPPKLLIYAASELESGIPARFSGSGSGTDFTLTISSLQPEDFATYYCQQSNEDPFTFGSGTKLEIK
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                                          (00:01:17)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:18)
Show buried residues

Minimal score value
-3.0127
Maximal score value
1.2623
Average score
-0.6135
Total score value
-142.3433

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 -1.7259
2 V H -0.4798
3 Q H -0.9813
4 L H 0.0000
5 V H 0.3760
6 E H 0.0000
7 S H -0.5031
8 G H -0.7847
9 G H -0.2847
11 G H 0.4289
12 L H 1.1828
13 V H 0.0298
14 Q H -1.2772
15 P H -1.4727
16 G H -1.3339
17 G H -1.0499
18 S H -0.9087
19 L H -0.4657
20 R H -1.2873
21 L H 0.0000
22 S H -0.3126
23 C H 0.0000
24 A H -0.1901
25 A H 0.0000
26 S H -0.6575
27 G H -0.8136
28 F H -0.4448
29 T H -0.6976
30 F H 0.0000
35 D H -2.0749
36 D H -2.3992
37 A H 0.0000
38 W H 0.0000
39 M H 0.0000
40 S H 0.0000
41 W H 0.0000
42 V H 0.0000
43 R H 0.0000
44 Q H -0.7257
45 A H -1.1312
46 P H -0.9239
47 G H -1.3824
48 K H -2.0407
49 G H -1.1577
50 L H 0.0000
51 E H -0.6194
52 W H 0.0000
53 V H 0.0000
54 A H 0.0000
55 E H 0.0000
56 I H 0.0000
57 S H 0.0000
58 T H 0.0000
59 K H -3.0127
60 A H -1.9902
61 N H -2.0488
62 N H -2.4197
63 H H -1.7357
64 A H -0.8976
65 T H -0.0984
66 Y H -0.2484
67 Y H -0.9913
68 A H 0.0000
69 E H -2.6434
70 S H -1.6910
71 V H 0.0000
72 K H -2.5462
74 G H -1.7290
75 R H -1.5496
76 F H 0.0000
77 T H -0.7062
78 I H 0.0000
79 S H -0.3744
80 R H -1.0271
81 D H -1.2501
82 D H -1.8164
83 S H -1.3932
84 K H -2.0574
85 S H -1.2820
86 S H 0.0000
87 V H 0.0000
88 Y H -0.3896
89 L H 0.0000
90 Q H -0.9361
91 M H 0.0000
92 N H -1.1719
93 S H -1.1245
94 L H 0.0000
95 R H -1.9431
96 A H -1.5373
97 E H -2.1224
98 D H 0.0000
99 T H -0.5678
100 A H 0.0000
101 V H 0.1159
102 Y H 0.0000
103 Y H 0.0000
104 C H 0.0000
105 T H 0.0000
106 R H -0.3296
107 L H 0.0000
108 A H 0.1318
109 T H 0.3639
110 W H 1.2623
112 D H 0.0000
113 W H 0.5563
114 Y H 0.3989
115 F H 0.0000
116 D H -0.2743
117 V H -0.1121
118 W H 0.0000
119 G H 0.0000
120 Q H -1.5786
121 G H -0.7836
122 T H -0.2786
123 T H 0.0953
124 V H 0.0000
125 T H -0.0019
126 V H 0.0000
127 S H -0.4668
128 S H -0.5485
1 D L -1.9007
2 I L 0.0000
3 V L 0.8164
4 L L 0.0000
5 T L -0.5265
6 Q L 0.0000
7 S L -0.5997
8 P L -0.4337
9 S L -0.6302
10 S L -0.7418
11 L L -0.4143
12 S L -0.7463
13 A L 0.0000
14 S L -0.6841
15 V L 0.2348
16 G L -0.6899
17 D L -1.7514
18 R L -2.2585
19 V L 0.0000
20 T L -0.5868
21 I L 0.0000
22 T L -0.8423
23 C L 0.0000
24 R L -2.2234
25 A L 0.0000
26 S L -0.7375
27 Q L -1.2330
28 S L -1.0198
29 V L 0.0000
30 D L -1.2233
31 Y L -0.4789
34 D L -1.8321
35 G L -1.6258
36 D L -1.6464
37 S L -1.2062
38 Y L -0.3340
39 M L 0.0000
40 N L 0.0000
41 W L 0.0000
42 Y L 0.0000
43 Q L -0.6487
44 Q L 0.0000
45 K L -1.5208
46 P L -1.1369
47 G L -1.7292
48 K L -2.6132
49 P L -1.5843
50 P L 0.0000
51 K L -1.0778
52 L L 0.0000
53 L L 0.0000
54 I L 0.0000
55 Y L -0.3235
56 A L -0.8362
57 A L 0.0000
65 S L -1.2768
66 E L -1.7503
67 L L -0.6167
68 E L -0.6596
69 S L -0.5907
70 G L -0.4462
71 I L -0.1627
72 P L -0.1894
74 A L -0.1352
75 R L -0.5500
76 F L 0.0000
77 S L -0.5841
78 G L -0.6874
79 S L -0.9525
80 G L -1.2433
83 S L -1.3914
84 G L -1.1618
85 T L -1.6501
86 D L -2.0943
87 F L 0.0000
88 T L -0.7908
89 L L 0.0000
90 T L -0.5947
91 I L 0.0000
92 S L -1.1751
93 S L -1.0870
94 L L 0.0000
95 Q L -0.5912
96 P L -0.6241
97 E L -1.4847
98 D L 0.0000
99 F L 0.1333
100 A L 0.0000
101 T L -0.6009
102 Y L 0.0000
103 Y L 0.0000
104 C L 0.0000
105 Q L 0.0000
106 Q L 0.0000
107 S L 0.0000
108 N L -1.0316
109 E L -2.0024
114 D L -2.5882
115 P L -2.0500
116 F L 0.0000
117 T L -0.4583
118 F L 0.3115
119 G L 0.0000
120 S L -0.4494
121 G L 0.0000
122 T L 0.0000
123 K L -1.1382
124 L L 0.0000
125 E L -0.7344
126 I L -0.2354
127 K L -1.3634
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Laboratory of Theory of Biopolymers 2018