Project name: 5993746f8815327

Status: done

Started: 2024-04-29 03:52:36
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Chain sequence(s) H: EVQLLESGGGLVQPGGSLRLSCAASGYLITSDIVWTWVRQAPGKGLEWMGYITYSGSTGYNDSVKGRITVSRDTSKNTFYLQMNSLRAEDTAVYYCVYGHFYSMDYWGQGTLVTVSS
L: DIQMTQSPSSLSASVGDRVTITCRASQSISSNLHWYQQKPGKAPKLLIKYASQSISGIPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQSYSWPLTFGQGTKVEIK
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                                          (00:00:51)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:52)
Show buried residues

Minimal score value
-2.7214
Maximal score value
1.6213
Average score
-0.5114
Total score value
-114.5548

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 -2.0405
2 V H -0.9703
3 Q H -1.2770
4 L H 0.0000
5 L H 0.8623
6 E H 0.0000
7 S H -0.3205
8 G H -0.7170
9 G H 0.0186
11 G H 0.6897
12 L H 1.3378
13 V H -0.0559
14 Q H -1.3228
15 P H -1.5977
16 G H -1.6239
17 G H -1.4213
18 S H -1.6840
19 L H 0.0000
20 R H -1.8838
21 L H 0.0000
22 S H -0.3926
23 C H 0.0000
24 A H -0.1399
25 A H 0.0000
26 S H -0.5214
27 G H -0.7965
28 Y H 0.4540
29 L H 1.5169
30 I H 0.0000
31 T H 0.3672
35 S H 0.0633
36 D H -0.5644
37 I H 0.0000
38 V H 0.0000
39 W H 0.0000
40 T H 0.0000
41 W H 0.0000
42 V H 0.0000
43 R H 0.0000
44 Q H -0.5658
45 A H -0.9606
46 P H -0.8125
47 G H -1.4391
48 K H -2.2831
49 G H -1.4665
50 L H 0.0000
51 E H -0.7802
52 W H 0.0000
53 M H 0.0000
54 G H 0.0000
55 Y H 0.1920
56 I H 0.0000
57 T H -0.1417
58 Y H 0.2084
59 S H -0.2445
63 G H -0.3263
64 S H -0.2783
65 T H -0.0868
66 G H -0.2708
67 Y H -0.7117
68 N H -1.4817
69 D H -2.6686
70 S H -1.6246
71 V H 0.0000
72 K H -2.5383
74 G H -1.8142
75 R H -1.6234
76 I H 0.0000
77 T H -0.8774
78 V H 0.0000
79 S H -0.4218
80 R H -0.8998
81 D H -1.2752
82 T H -0.9125
83 S H -1.2982
84 K H -2.1175
85 N H -0.8885
86 T H 0.0000
87 F H 0.0000
88 Y H -0.5207
89 L H 0.0000
90 Q H -1.3651
91 M H 0.0000
92 N H -2.1917
93 S H -1.6452
94 L H 0.0000
95 R H -2.6501
96 A H -1.8154
97 E H -2.3209
98 D H 0.0000
99 T H -0.4057
100 A H 0.0000
101 V H 0.7183
102 Y H 0.0000
103 Y H 0.0000
104 C H 0.0000
105 V H 0.0000
106 Y H 0.1923
107 G H 0.0000
108 H H 0.2839
109 F H 1.5652
113 Y H 1.2459
114 S H 0.0000
115 M H 0.0000
116 D H -0.0118
117 Y H -0.1460
118 W H -0.2659
119 G H 0.0000
120 Q H -1.3553
121 G H -0.3735
122 T H 0.4876
123 L H 1.6213
124 V H 0.0000
125 T H 0.3222
126 V H 0.0000
127 S H -0.4994
128 S H -0.4881
1 D L -2.2703
2 I L 0.0000
3 Q L -2.2347
4 M L 0.0000
5 T L -1.4284
6 Q L 0.0000
7 S L -0.7137
8 P L -0.4760
9 S L -0.7689
10 S L -0.8550
11 L L -0.6857
12 S L -0.9942
13 A L 0.0000
14 S L -0.7544
15 V L 0.1151
16 G L -0.7524
17 D L -1.7216
18 R L -2.2665
19 V L 0.0000
20 T L -0.6234
21 I L 0.0000
22 T L -0.8182
23 C L 0.0000
24 R L -2.7214
25 A L 0.0000
26 S L -1.8091
27 Q L -1.6262
28 S L -0.9923
29 I L 0.0000
36 S L -0.3663
37 S L -0.2220
38 N L 0.3674
39 L L 0.0000
40 H L 0.0000
41 W L 0.0000
42 Y L 0.0000
43 Q L -0.7323
44 Q L 0.0000
45 K L -1.4804
46 P L -1.0646
47 G L -1.6366
48 K L -2.5828
49 A L -1.5326
50 P L 0.0000
51 K L -1.3026
52 L L 0.0000
53 L L 0.0000
54 I L 0.0000
55 K L -0.4731
56 Y L -0.1051
57 A L 0.0000
65 S L -0.8760
66 Q L -1.3341
67 S L -0.8641
68 I L -0.5668
69 S L -0.4706
70 G L -0.4748
71 I L -0.3203
72 P L -0.3529
74 S L -0.5136
75 R L -0.8045
76 F L 0.0000
77 S L -0.6820
78 G L -0.6064
79 S L -0.7014
80 G L -0.9468
83 S L -0.9757
84 G L -1.1241
85 T L -1.6153
86 D L -2.0828
87 F L 0.0000
88 T L -0.7312
89 L L 0.0000
90 T L -0.6361
91 I L 0.0000
92 S L -1.4318
93 S L -1.1795
94 L L 0.0000
95 Q L -0.6422
96 P L -0.9511
97 E L -1.5511
98 D L 0.0000
99 F L -0.1465
100 A L 0.0000
101 T L -0.6841
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 1.0197
108 Y L 1.1030
109 S L 0.4798
114 W L 0.4656
115 P L -0.1827
116 L L 0.1342
117 T L -0.5284
118 F L 0.0000
119 G L 0.0000
120 Q L -1.5415
121 G L 0.0000
122 T L 0.0000
123 K L -1.2927
124 V L 0.0000
125 E L -1.2139
126 I L -0.6048
127 K L -1.5520
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Laboratory of Theory of Biopolymers 2018