Project name: 9788fc6caab2b95

Status: done

Started: 2025-06-03 05:23:53
Settings
Chain sequence(s) H: EVQLVESGGGLVQPGGSLRLSCAASGFTFSSYTMSWVRQAPGKGLEWVATISGGGFGTYYPDSVKGRFTISRDNAKNSLYLQMNSLRAEDTAVYYCARPGYNNYYFDIWGQGTTVTVSS
L: EIVLTQSPATLSLSPGERATLSCHASDSISNSLHWYQQKPGQAPRLLIYYARQSIQGIPARFSGSGSGTDFTLTISSLEPEDFAVYYCQQSESWPLHFGGGTKVEIK
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                                          (00:01:32)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:34)
Show buried residues

Minimal score value
-2.6185
Maximal score value
1.6677
Average score
-0.5763
Total score value
-130.2447

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 -1.9070
2 V H -0.7485
3 Q H -0.9462
4 L H 0.0000
5 V H 0.8738
6 E H 0.0000
7 S H -0.3829
8 G H -0.7722
9 G H -0.2622
11 G H 0.4099
12 L H 1.1901
13 V H -0.0031
14 Q H -1.3061
15 P H -1.6381
16 G H -1.4943
17 G H -1.2344
18 S H -1.2019
19 L H -0.6434
20 R H -1.2598
21 L H 0.0000
22 S H -0.2382
23 C H 0.0000
24 A H -0.1788
25 A H 0.0000
26 S H -0.7591
27 G H -1.0308
28 F H -0.4099
29 T H -0.2272
30 F H 0.0000
35 S H -0.8332
36 S H -0.3212
37 Y H -0.0373
38 T H -0.1996
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 -0.8142
45 A H -1.2158
46 P H -0.9847
47 G H -1.4597
48 K H -2.2813
49 G H -1.4094
50 L H 0.0000
51 E H -1.0067
52 W H 0.0000
53 V H 0.0000
54 A H 0.0000
55 T H 0.0000
56 I H 0.0000
57 S H 0.0913
58 G H -0.3171
59 G H -0.1560
62 G H 0.3697
63 F H 1.6677
64 G H 0.8326
65 T H 0.6595
66 Y H 0.2680
67 Y H -0.4944
68 P H -1.4021
69 D H -2.3865
70 S H -1.6678
71 V H 0.0000
72 K H -2.3132
74 G H -1.7044
75 R H -1.5523
76 F H 0.0000
77 T H -0.7142
78 I H 0.0000
79 S H -0.1021
80 R H -0.7516
81 D H -1.4602
82 N H -1.6463
83 A H -1.3360
84 K H -2.2776
85 N H -1.7610
86 S H -1.0312
87 L H 0.0000
88 Y H -0.3358
89 L H 0.0000
90 Q H -0.9304
91 M H 0.0000
92 N H -1.6908
93 S H -1.4390
94 L H 0.0000
95 R H -2.2000
96 A H -1.6351
97 E H -2.1903
98 D H 0.0000
99 T H -0.5942
100 A H 0.0000
101 V H 0.1636
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 P H 0.0000
108 G H 0.0000
109 Y H 0.6258
110 N H -0.6802
112 N H -0.4856
113 Y H -0.1455
114 Y H 0.0000
115 F H 0.0000
116 D H -0.1887
117 I H -0.0454
118 W H -0.2940
119 G H 0.0000
120 Q H -1.1915
121 G H -0.4886
122 T H -0.1913
123 T H 0.1037
124 V H 0.0000
125 T H -0.0005
126 V H 0.0000
127 S H -0.6965
128 S H -0.5571
1 E L -1.4778
2 I L -0.5601
3 V L 0.8496
4 L L 0.0000
5 T L -0.2483
6 Q L -0.5331
7 S L -0.5267
8 P L -0.4098
9 A L -0.3708
10 T L -0.4393
11 L L -0.0991
12 S L -0.1884
13 L L -0.5475
14 S L -0.9026
15 P L -1.3328
16 G L -1.7169
17 E L -2.4631
18 R L -2.6185
19 A L 0.0000
20 T L -0.6785
21 L L 0.0000
22 S L -0.7040
23 C L 0.0000
24 H L -1.4511
25 A L 0.0000
26 S L -1.0540
27 D L -2.1565
28 S L -1.8502
29 I L 0.0000
36 S L -1.3354
37 N L -1.5984
38 S L 0.0000
39 L L 0.0000
40 H L 0.0000
41 W L 0.0000
42 Y L 0.0000
43 Q L 0.0000
44 Q L 0.0000
45 K L -1.2364
46 P L -0.8818
47 G L -1.3290
48 Q L -1.8858
49 A L -1.2567
50 P L 0.0000
51 R L -1.3978
52 L L 0.0000
53 L L 0.0000
54 I L 0.0000
55 Y L -0.3771
56 Y L -0.8181
57 A L 0.0000
65 R L -2.2986
66 Q L -1.6064
67 S L -0.9925
68 I L -0.6685
69 Q L -1.2880
70 G L -0.8847
71 I L -0.5364
72 P L -0.3200
74 A L -0.3050
75 R L -0.6661
76 F L 0.0000
77 S L -0.8036
78 G L -1.0843
79 S L -1.4086
80 G L -1.4174
83 S L -1.3964
84 G L -1.4459
85 T L -1.9358
86 D L -2.5143
87 F L 0.0000
88 T L -0.9185
89 L L 0.0000
90 T L -0.6327
91 I L 0.0000
92 S L -1.3192
93 S L -1.6190
94 L L 0.0000
95 E L -1.9293
96 P L -1.1708
97 E L -1.9079
98 D L 0.0000
99 F L -0.2432
100 A L 0.0000
101 V L -0.1447
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 E L -1.8357
109 S L -0.9862
114 W L -0.2033
115 P L -0.6605
116 L L 0.0000
117 H L -0.1736
118 F L 0.0000
119 G L 0.0000
120 G L -0.8109
121 G L -0.7273
122 T L 0.0000
123 K L -0.8107
124 V L 0.0000
125 E L 0.0140
126 I L 0.9125
127 K L -0.9032
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Laboratory of Theory of Biopolymers 2018