Project name: 954fd14ca6876b9

Status: done

Started: 2020-04-05 16:29:39
Settings
Chain sequence(s) L: DIVLTQSPATLSVTPGESVSLSCRASQSISNNLHWYQQKSHESPRLLIKYASQSISGIPSRFSGSGSGTDFTLSINSVETEDFGMYYCQQSNSWPLTFGAGTKLELKR
input PDB
Selected Chain(s) 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 L 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                                          (00:00:55)
[INFO]       Movie:    Creting movie with webm format                                              (00:02:08)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:13)
Show buried residues

Minimal score value
-2.9686
Maximal score value
2.5098
Average score
-0.675
Total score value
-72.8951

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
2 D L -0.9415
3 I L 0.2980
4 V L 1.3730
5 L L 0.0000
6 T L -0.1987
7 Q L 0.0000
8 S L -0.6244
9 P L -0.3483
10 A L -0.2379
11 T L -0.5722
12 L L -0.3962
13 S L -1.0495
14 V L 0.0000
15 T L -1.7467
16 P L -1.9037
17 G L -2.0289
18 E L -2.4771
19 S L -1.9939
20 V L 0.0000
21 S L -0.5581
22 L L 0.0000
23 S L -0.9360
24 C L 0.0000
25 R L -2.3989
26 A L 0.0000
27 S L -1.0742
28 Q L -1.7278
29 S L -1.6511
30 I L 0.0000
31 S L -1.4563
32 N L -1.7743
33 N L -1.1912
34 L L 0.0000
35 H L 0.0000
36 W L 0.0000
37 Y L -0.1668
38 Q L 0.0000
39 Q L -1.6413
40 K L -2.1341
41 S L -1.6048
42 H L -2.2658
43 E L -2.9686
44 S L -1.8847
45 P L -1.5064
46 R L -1.4598
47 L L -0.1677
48 L L 0.0000
49 I L 0.0000
50 K L -0.8407
51 Y L -0.5282
52 A L 0.0000
53 S L -1.0749
54 Q L -1.4545
55 S L -0.6450
56 I L 0.0412
57 S L -0.2268
58 G L -0.3423
59 I L 0.0117
60 P L -0.2890
61 S L -0.6568
62 R L -1.1530
63 F L 0.0000
64 S L -0.8881
65 G L 0.0000
66 S L -0.8368
67 G L -1.1915
68 S L -1.3579
69 G L -1.5442
70 T L -1.9523
71 D L -2.2560
72 F L 0.0000
73 T L -0.8463
74 L L 0.0000
75 S L -0.7278
76 I L 0.0000
77 N L -2.2406
78 S L -2.1322
79 V L 0.0000
80 E L -2.5862
81 T L -1.6699
82 E L -2.3364
83 D L 0.0000
84 F L -0.9781
85 G L 0.0000
86 M L -0.5302
87 Y L 0.0000
88 Y L 0.4508
89 C L 0.0000
90 Q L 0.0000
91 Q L 0.0000
92 S L -0.0355
93 N L -1.1082
94 S L -0.3305
95 W L 0.8140
96 P L 0.6959
97 L L 1.8110
98 T L 1.6793
99 F L 2.5098
100 G L 1.0101
101 A L 0.5857
102 G L 0.1008
103 T L 0.0000
104 K L -1.0630
105 L L 0.0000
106 E L -1.5036
107 L L -1.0693
108 K L -2.2758
109 R L -2.5179
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Laboratory of Theory of Biopolymers 2018