Project name: 2dc740e7b18afb8

Status: done

Started: 2024-12-20 12:03:38
Settings
Chain sequence(s) A: PVLTQSPSVSAAPRQRVTISVSGSNSNIGSNTVNWIQQLPGRAPELLMYDDDLLAPGVSDRFSGSRSGTSASLTISGLQSEDEADYYAATWDDSLNGWVFGGGTKVTVL
input PDB
Selected Chain(s) A
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 A 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                                          (00:00:37)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:38)
Show buried residues

Minimal score value
-3.1315
Maximal score value
1.7268
Average score
-0.6662
Total score value
-72.6212

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 P A 0.6009
3 V A 1.7268
4 L A 0.0000
5 T A 0.0509
6 Q A 0.0000
7 S A -0.6818
8 P A -0.9183
9 S A -0.8638
11 V A -0.2706
12 S A -0.0022
13 A A -0.4035
14 A A -0.4987
15 P A -1.6351
16 R A -3.0807
17 Q A -3.1315
18 R A -2.9842
19 V A 0.0000
20 T A -0.5148
21 I A 0.0000
22 S A -0.3804
23 V A 0.0000
24 S A -0.3606
25 G A -0.3824
26 S A -0.9571
27 N A -1.9502
28 S A -1.4171
29 N A 0.0000
30 I A 0.0000
35 G A -1.3907
36 S A -1.1254
37 N A -1.0340
38 T A -1.1434
39 V A 0.0000
40 N A -0.2198
41 W A 0.0000
42 I A -0.0993
43 Q A -1.0847
44 Q A -1.5858
45 L A -1.7011
46 P A -1.5355
47 G A -1.4688
48 R A -2.4363
49 A A -1.5714
50 P A -1.5723
51 E A -1.8769
52 L A -0.2174
53 L A 0.0000
54 M A 0.0000
55 Y A -0.4235
56 D A -1.9892
57 D A -1.7996
65 D A -1.8740
66 L A -0.0944
67 L A 0.0705
68 A A 0.0000
69 P A -0.0388
70 G A -0.5986
71 V A -0.3651
72 S A -1.0308
74 D A -1.8430
75 R A -1.6041
76 F A 0.0000
77 S A -0.9816
78 G A -1.1040
79 S A -1.3109
80 R A -1.5654
83 S A -0.8626
84 G A -1.1357
85 T A -1.1352
86 S A -0.8788
87 A A 0.0000
88 S A -0.6901
89 L A 0.0000
90 T A -0.6809
91 I A 0.0000
92 S A -2.1222
93 G A -2.2028
94 L A 0.0000
95 Q A -1.8267
96 S A -1.3719
97 E A -2.2489
98 D A 0.0000
99 E A -1.4415
100 A A 0.0000
101 D A -1.1448
102 Y A 0.0000
103 Y A 0.1006
104 A A 0.0000
105 A A 0.0000
106 T A 0.0000
107 W A 0.5298
108 D A 0.0000
109 D A -1.8828
110 S A -0.8207
113 L A 0.6880
114 N A -0.9755
115 G A 0.1197
116 W A 1.5523
117 V A 0.0000
118 F A 1.6906
119 G A 0.0000
120 G A -0.2968
121 G A 0.0000
122 T A 0.0000
123 K A -1.8643
124 V A 0.0000
125 T A -0.2491
126 V A -0.1982
127 L A 1.3970
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Laboratory of Theory of Biopolymers 2018