Project name: 58443739b5f4073

Status: done

Started: 2024-04-26 03:26:48
Settings
Chain sequence(s) H: EVQLQESGPGLVKPSQSLSLTCTVTGYLITSDIVWTWIRQFPDNTLEWMGYITYSGSTGYNPSLNGRISVTRDTSKSQFFLQLNSVTSEDTATYYCVYGHFYSMDYWGQGTSVTVSS
L: DIVMTQSPVTLFVTPGHSVSLSCRASQSISSNLHWYQQESHESPRLLIKYASQSISGIPSRFSGSGSGTDFTLSINSVETEDFGLYFCQQSYSWPLTFGAGTKLELK
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                                          (00:00:48)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:49)
Show buried residues

Minimal score value
-2.8597
Maximal score value
2.607
Average score
-0.4095
Total score value
-91.7382

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 -1.9900
2 V H -0.7906
3 Q H -1.4278
4 L H 0.0000
5 Q H -1.3925
6 E H 0.0000
7 S H -0.7406
8 G H -0.4950
9 P H -0.1331
10 G H 0.0758
11 L H 0.9251
12 V H 0.0000
13 K H -1.4212
14 P H -1.5898
15 S H -1.4075
16 Q H -1.9681
17 S H -1.5211
18 L H 0.0000
19 S H -0.7239
20 L H 0.0000
21 T H -0.4109
22 C H 0.0000
23 T H -0.9313
24 V H 0.0000
25 T H -0.8673
26 G H -0.8707
27 Y H 0.0304
28 L H 0.7966
29 I H 0.0000
30 T H 0.1874
31 S H -0.1683
31A D H -0.7629
32 I H 0.1762
33 V H 0.0000
34 W H 0.0000
35 T H 0.0000
36 W H 0.0000
37 I H 0.0000
38 R H 0.0000
39 Q H -0.5564
40 F H -0.8808
41 P H -1.3843
42 D H -2.0868
43 N H -1.4376
44 T H -0.8490
45 L H 0.0000
46 E H -0.2371
47 W H 0.0000
48 M H 0.0000
49 G H 0.0000
50 Y H 0.2555
51 I H 0.0000
52 T H 0.0376
53 Y H 0.4228
54 S H -0.1543
55 G H -0.1843
56 S H -0.2156
57 T H -0.0383
58 G H 0.0863
59 Y H -0.1018
60 N H 0.0000
61 P H -0.9957
62 S H -0.9836
63 L H 0.0000
64 N H -1.7258
65 G H -1.4286
66 R H -1.4684
67 I H 0.0000
68 S H -0.6538
69 V H 0.0000
70 T H -0.3585
71 R H -0.8515
72 D H -1.2245
73 T H -0.9134
74 S H -1.2747
75 K H -1.9729
76 S H -0.9453
77 Q H -0.9797
78 F H 0.0000
79 F H -0.0854
80 L H 0.0000
81 Q H -0.8466
82 L H 0.0000
82A N H -1.5192
82B S H -1.3614
82C V H 0.0000
83 T H -1.3913
84 S H -1.3934
85 E H -1.9377
86 D H 0.0000
87 T H -0.5781
88 A H 0.0000
89 T H -0.3531
90 Y H 0.0000
91 Y H 0.0000
92 C H 0.0000
93 V H 0.0000
94 Y H 0.4764
95 G H 0.0000
96 H H 0.8799
97 F H 2.6070
98 Y H 2.2104
99 S H 0.0000
100 M H 0.0000
101 D H -0.0134
102 Y H 0.4269
103 W H -0.3406
104 G H 0.0000
105 Q H -1.9422
106 G H 0.0000
107 T H -0.6960
108 S H -0.2114
109 V H 0.0000
110 T H -0.1253
111 V H 0.0000
112 S H -0.6353
113 S H -0.5653
1 D L -1.4346
2 I L 0.0000
3 V L 0.8792
4 M L 0.0000
5 T L -0.1050
6 Q L 0.0000
7 S L 0.1286
8 P L 0.5914
9 V L 1.5269
10 T L 0.7804
11 L L 0.9485
12 F L 1.1546
13 V L 0.0000
14 T L -0.6721
15 P L -1.1952
16 G L -1.5341
17 H L -1.7579
18 S L -1.4962
19 V L 0.0000
20 S L -0.4612
21 L L 0.0000
22 S L -0.5814
23 C L 0.0000
24 R L -1.8951
25 A L 0.0000
26 S L -0.8987
27 Q L -1.5322
28 S L -1.1755
29 I L 0.0000
30 S L -0.4750
31 S L -0.3275
32 N L 0.6098
33 L L 0.0000
34 H L 0.0000
35 W L 0.0000
36 Y L 0.0000
37 Q L 0.0000
38 Q L 0.0000
39 E L -1.7148
40 S L -1.3590
41 H L -2.2430
42 E L -2.8597
43 S L -1.5835
44 P L 0.0000
45 R L -0.9259
46 L L 0.0000
47 L L 0.0000
48 I L 0.0000
49 K L -0.3690
50 Y L -0.0546
51 A L 0.0000
52 S L -0.9944
53 Q L -1.4008
54 S L -0.8804
55 I L -0.4720
56 S L -0.4553
57 G L -0.4487
58 I L -0.2026
59 P L -0.2865
60 S L -0.6174
61 R L -0.9941
62 F L 0.0000
63 S L -0.8439
64 G L -0.6969
65 S L -0.8488
66 G L -1.1466
67 S L -1.1197
68 G L -1.2814
69 T L -1.7861
70 D L -2.3693
71 F L 0.0000
72 T L -0.8254
73 L L 0.0000
74 S L -0.6645
75 I L 0.0000
76 N L -1.9576
77 S L -1.6561
78 V L 0.0000
79 E L -1.8617
80 T L -1.2655
81 E L -2.1079
82 D L 0.0000
83 F L -0.3637
84 G L 0.0000
85 L L -0.2786
86 Y L 0.0000
87 F L 0.0000
88 C L 0.0000
89 Q L 0.0000
90 Q L 0.0000
91 S L 1.3648
92 Y L 1.5098
93 S L 0.3285
94 W L 0.3922
95 P L 0.0000
96 L L 0.6408
97 T L 0.3026
98 F L 0.0000
99 G L 0.0000
100 A L 0.0357
101 G L 0.0000
102 T L 0.0000
103 K L -0.3351
104 L L 0.0000
105 E L -0.0484
106 L L 0.5849
107 K L -0.7396
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Laboratory of Theory of Biopolymers 2018