Project name: c6448814381fd02

Status: done

Started: 2025-02-12 06:43:08
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Chain sequence(s) A: EVQLVESGGGLVQPGGSLRLSCAASGFTFSNYAMSWVRQAPGKALEWVSSIGSDGSNTHYTDSVKGRFTISRDNAKNTLYLQMNSLKSEDTARYFCYPGNTVGPSSPPGQG
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]                                                (00:00:01)
[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 A 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                                          (00:00:44)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:44)
Show buried residues

Minimal score value
-2.7993
Maximal score value
1.3307
Average score
-0.8141
Total score value
-90.3701

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 A -1.6396
2 V A -0.2940
3 Q A -0.5224
4 L A 0.5701
5 V A 1.3307
6 E A 0.0559
7 S A -0.5871
8 G A -1.3204
9 G A -1.1129
10 G A -0.0926
11 L A 1.2824
12 V A 0.3949
13 Q A -1.0712
14 P A -1.5189
15 G A -1.3195
16 G A -0.7619
17 S A -1.0654
18 L A -0.7625
19 R A -1.8505
20 L A 0.0000
21 S A -0.4485
22 C A 0.0000
23 A A -0.1310
24 A A 0.0000
25 S A -0.6199
26 G A -0.8262
27 F A -0.4258
28 T A -0.4320
29 F A 0.0000
30 S A -1.6092
31 N A -1.6950
32 Y A -1.0496
33 A A -1.1268
34 M A 0.0000
35 S A -0.1546
36 W A 0.0000
37 V A 0.2850
38 R A 0.0000
39 Q A -1.0917
40 A A -1.6459
41 P A -1.2933
42 G A -1.3258
43 K A -1.8540
44 A A -0.4437
45 L A 0.4918
46 E A -0.0863
47 W A 0.3433
48 V A 0.0000
49 S A 0.0000
50 S A -0.6192
51 I A 0.0000
52 G A -1.5979
53 S A -1.7427
54 D A -2.5868
55 G A -1.8163
56 S A -1.5533
57 N A -2.0316
58 T A -1.2618
59 H A -1.6853
60 Y A -1.4588
61 T A -1.5846
62 D A -2.6404
63 S A -1.8284
64 V A 0.0000
65 K A -2.7993
66 G A -1.7926
67 R A -1.5413
68 F A 0.0000
69 T A -0.9400
70 I A 0.0000
71 S A -0.5924
72 R A -1.3065
73 D A -1.8281
74 N A -2.0543
75 A A -1.3647
76 K A -2.2910
77 N A -1.6846
78 T A -1.0164
79 L A 0.0000
80 Y A -0.5920
81 L A 0.0000
82 Q A -1.0666
83 M A 0.0000
84 N A -1.4032
85 S A -1.1914
86 L A 0.0000
87 K A -2.2462
88 S A -1.8859
89 E A -2.3569
90 D A 0.0000
91 T A -1.1808
92 A A -1.6227
93 R A -1.7405
94 Y A -0.7066
95 F A 0.2450
96 C A 0.0000
97 Y A 0.0994
98 P A 0.0000
99 G A -0.7121
100 N A -1.1434
101 T A 0.2087
102 V A 1.1986
103 G A 0.2759
104 P A -0.0900
105 S A -0.2716
106 S A -0.7208
107 P A -0.8868
108 P A -1.0970
109 G A -1.4302
110 Q A -1.7554
111 G A -1.2552
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Laboratory of Theory of Biopolymers 2018