Project name: NbR2CHCL10

Status: done

Started: 2025-10-06 12:47:11
Settings
Chain sequence(s) A: QVQLVESGGGSVQAGGSLRLSCAASGRTISNYDMAWSRQAPGKEREFVARISGSGDRTDYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAIYYCQIQDFGSPSFSGQGTQVTVS
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                                          (00:00:58)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:59)
Show buried residues

Minimal score value
-3.9838
Maximal score value
1.2111
Average score
-1.0534
Total score value
-122.1901

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 Q A -1.6858
2 V A -1.3585
3 Q A -1.5177
4 L A 0.0000
5 V A 0.6508
6 E A -0.2292
7 S A -0.5790
8 G A -1.2855
9 G A -1.1673
10 G A -0.9467
11 S A -0.7480
12 V A -0.7581
13 Q A -1.5291
14 A A -1.4933
15 G A -1.2623
16 G A -1.0091
17 S A -1.1950
18 L A -1.1316
19 R A -2.1418
20 L A 0.0000
21 S A -0.4487
22 C A 0.0000
23 A A -0.2215
24 A A 0.0000
25 S A -1.2956
26 G A -1.6291
27 R A -1.8309
28 T A -1.3700
29 I A 0.0000
30 S A -1.3247
31 N A -1.7367
32 Y A -0.8956
33 D A -1.0878
34 M A 0.0000
35 A A 0.0000
36 W A 0.0000
37 S A -0.6482
38 R A 0.0000
39 Q A -2.2345
40 A A -2.0418
41 P A -1.4235
42 G A -2.0095
43 K A -3.5368
44 E A -3.9838
45 R A -3.4874
46 E A -2.4154
47 F A -0.7017
48 V A 0.0000
49 A A 0.0000
50 R A -1.8972
51 I A 0.0000
52 S A -2.0802
53 G A -1.5933
54 S A -1.6304
55 G A -2.1103
56 D A -2.8698
57 R A -3.4190
58 T A -2.5655
59 D A -2.7892
60 Y A -1.8282
61 A A -1.7760
62 D A -2.6480
63 S A -1.7457
64 V A 0.0000
65 K A -2.8910
66 G A -1.7927
67 R A -1.6684
68 F A 0.0000
69 T A -1.1483
70 I A 0.0000
71 S A -0.7744
72 R A -1.0547
73 D A -1.6342
74 N A -1.8827
75 A A -1.3863
76 K A -2.2394
77 N A -1.7509
78 T A 0.0000
79 V A 0.0000
80 Y A -0.6324
81 L A 0.0000
82 Q A -1.2754
83 M A 0.0000
84 N A -1.4508
85 S A -1.1936
86 L A 0.0000
87 K A -2.0728
88 P A -1.7695
89 E A -2.2679
90 D A 0.0000
91 T A -1.0638
92 A A 0.0000
93 I A -0.4298
94 Y A 0.0000
95 Y A 0.0000
96 C A 0.0000
97 Q A -0.7253
98 I A 0.0000
99 Q A -0.7509
100 D A -0.3412
101 F A 1.2111
102 G A 0.0912
103 S A -0.2338
104 P A -0.3690
105 S A -0.3915
106 F A -0.3825
107 S A -0.6033
108 G A -0.6129
109 Q A -1.2499
110 G A -0.6921
111 T A -0.7337
112 Q A -1.3514
113 V A 0.0000
114 T A -0.9347
115 V A 0.0000
116 S A -1.0780
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Laboratory of Theory of Biopolymers 2018