Project name: 35c8352f0856718

Status: done

Started: 2025-06-03 04:55:44
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Chain sequence(s) H: QVQLVQSGAEVKKPGASVKVSCKASGYTFTNYWMHWVRQAPGQGLEWIGEINPINGRSNYAEKFQGRVTLTVDTSSSTAYMELSRLRSDDTAVYYCARGTRAMHYWGQGTLVTVSS
L: DIQMTQSPSSLSASVGDRVTITCRTSENIYNNLAWYQQKPGKSPKLLIYAATNLADGVPSRFSGSGSGTDYTLTISSLQPEDFATYYCQHFWGTPLTFGGGTKVEIK
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]                                                (00:00:01)
[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 all 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                                          (00:02:21)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:24)
Show buried residues

Minimal score value
-3.347
Maximal score value
1.1845
Average score
-0.6168
Total score value
-137.5388

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 Q H -1.5541
2 V H -1.0632
3 Q H -1.3131
4 L H 0.0000
5 V H 0.7102
6 Q H 0.0000
7 S H -0.3390
8 G H -0.3127
9 A H 0.4237
11 E H 0.1745
12 V H 1.0752
13 K H -0.9114
14 K H -2.3357
15 P H -2.5661
16 G H -2.2853
17 A H -1.7700
18 S H -1.8078
19 V H 0.0000
20 K H -1.9513
21 V H 0.0000
22 S H -0.4117
23 C H 0.0000
24 K H -0.7281
25 A H 0.0000
26 S H -0.8808
27 G H -1.1068
28 Y H -0.5985
29 T H -0.3934
30 F H 0.0000
35 T H 0.0469
36 N H -0.6392
37 Y H -0.0021
38 W H -0.0209
39 M H 0.0000
40 H H 0.0000
41 W H 0.0000
42 V H 0.0000
43 R H 0.0000
44 Q H -0.4991
45 A H -0.9022
46 P H -0.9203
47 G H -1.2197
48 Q H -1.7444
49 G H -1.1540
50 L H 0.0000
51 E H -0.8287
52 W H 0.0000
53 I H 0.0000
54 G H 0.0000
55 E H 0.0000
56 I H 0.0000
57 N H -0.6166
58 P H 0.0000
59 I H 0.8035
62 N H -1.0733
63 G H -1.3463
64 R H -2.1760
65 S H -1.2669
66 N H -0.9032
67 Y H -0.9886
68 A H 0.0000
69 E H -3.2939
70 K H -2.9913
71 F H 0.0000
72 Q H -2.5732
74 G H -1.8128
75 R H -1.8300
76 V H 0.0000
77 T H -0.7056
78 L H 0.0000
79 T H -0.3418
80 V H -0.0728
81 D H -0.6746
82 T H -0.2460
83 S H -0.4313
84 S H -0.5859
85 S H -0.6564
86 T H 0.0000
87 A H 0.0000
88 Y H -0.4324
89 M H 0.0000
90 E H -1.2711
91 L H 0.0000
92 S H -1.8463
93 R H -2.8255
94 L H 0.0000
95 R H -3.3470
96 S H -2.3256
97 D H -2.5365
98 D H 0.0000
99 T H -0.6743
100 A H 0.0000
101 V H 0.5887
102 Y H 0.0000
103 Y H 0.0000
104 C H 0.0000
105 A H 0.0000
106 R H 0.0000
107 G H 0.0000
108 T H -0.8125
109 R H -1.5971
114 A H 0.0000
115 M H 0.0000
116 H H -0.4847
117 Y H -0.1630
118 W H -0.1485
119 G H 0.0000
120 Q H -1.1752
121 G H -0.3622
122 T H 0.0000
123 L H 1.1845
124 V H 0.0000
125 T H -0.0270
126 V H 0.0000
127 S H -1.1339
128 S H -0.8556
1 D L -2.4850
2 I L 0.0000
3 Q L -2.2781
4 M L 0.0000
5 T L -1.4078
6 Q L -1.1203
7 S L -0.8594
8 P L -0.6570
9 S L -0.9168
10 S L -1.2565
11 L L -0.7775
12 S L -0.8717
13 A L 0.0000
14 S L -0.0517
15 V L 0.9449
16 G L -0.3205
17 D L -1.3407
18 R L -2.0609
19 V L 0.0000
20 T L -0.5788
21 I L 0.0000
22 T L -0.8280
23 C L 0.0000
24 R L -2.8348
25 T L 0.0000
26 S L -2.1328
27 E L -2.1355
28 N L -1.3102
29 I L 0.0000
36 Y L 0.8069
37 N L 0.0465
38 N L -0.0201
39 L L 0.0000
40 A L 0.0000
41 W L 0.0000
42 Y L 0.0000
43 Q L -0.8933
44 Q L -1.3873
45 K L -1.8900
46 P L -1.2977
47 G L -1.6829
48 K L -2.6118
49 S L -1.5993
50 P L 0.0000
51 K L -1.0848
52 L L 0.0000
53 L L 0.0000
54 I L 0.0000
55 Y L 0.0997
56 A L -0.1689
57 A L 0.0000
65 T L -0.3057
66 N L -0.5032
67 L L -0.1115
68 A L 0.0000
69 D L -1.9246
70 G L -1.1809
71 V L -0.5997
72 P L -0.4428
74 S L -0.3372
75 R L -0.7464
76 F L 0.0000
77 S L -0.3076
78 G L 0.0000
79 S L -0.6457
80 G L -0.8447
83 S L -0.7849
84 G L -0.9460
85 T L -1.6823
86 D L -2.1429
87 Y L 0.0000
88 T L -0.6758
89 L L 0.0000
90 T L 0.0000
91 I L 0.0000
92 S L -1.2576
93 S L -0.9276
94 L L 0.0000
95 Q L -0.3628
96 P L -0.5976
97 E L -1.6335
98 D L 0.0000
99 F L -0.6551
100 A L 0.0000
101 T L -1.2314
102 Y L 0.0000
103 Y L 0.0000
104 C L 0.0000
105 Q L 0.0000
106 H L 0.0000
107 F L 0.0000
108 W L 0.3373
109 G L -0.1491
114 T L -0.5524
115 P L -0.9947
116 L L 0.0000
117 T L -0.6702
118 F L 0.0000
119 G L 0.0000
120 G L -1.1816
121 G L -1.0344
122 T L 0.0000
123 K L -2.1987
124 V L 0.0000
125 E L -1.2816
126 I L 0.7258
127 K L -0.8723
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Laboratory of Theory of Biopolymers 2018