Project name: VHH11

Status: done

Started: 2024-06-10 11:37:46
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Chain sequence(s) H: QVQLQESGGGLVQPGGSLRLSCVLSNGIFSTYGMNWYRQAPGKQREFVASITSSGSTNYSPSVKGRFTISRENAKSTVNLQMNNLNPEDTAVYYCNTWSTWGQGTQVTVSS
input PDB
Selected Chain(s) H
Distance of aggregation 10 Å
FoldX usage No
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 H chain(s) selected             (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       runJob:   FoldX not utilized. Treating input pdb file as it was already optimized.    (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:00)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:01)
Show buried residues

Minimal score value
-2.951
Maximal score value
1.6485
Average score
-0.6214
Total score value
-68.9809

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 H -1.4316
2 V H -0.4362
3 Q H -1.5857
4 L H 0.0000
5 Q H -1.1801
6 E H 0.0000
7 S H -0.9099
8 G H -1.1241
9 G H -0.5976
11 G H 0.0885
12 L H 1.1624
13 V H 0.1076
14 Q H -1.3399
15 P H -1.7414
16 G H -1.7055
17 G H -1.1520
18 S H -1.3240
19 L H -0.8904
20 R H -1.8676
21 L H 0.0000
22 S H -0.5230
23 C H 0.0000
24 V H 0.2432
25 L H 0.0000
26 S H -0.9647
27 N H -1.2947
28 G H -0.3937
29 I H 1.6485
30 F H 0.0000
35 S H -0.1381
36 T H 0.4605
37 Y H 1.1069
38 G H 0.2720
39 M H 0.0000
40 N H 0.0000
41 W H 0.0000
42 Y H 0.2327
43 R H 0.0000
44 Q H -1.5784
45 A H 0.0000
46 P H -1.4593
47 G H -1.7896
48 K H -2.9510
49 Q H -2.7153
50 R H -1.9806
51 E H -1.4093
52 F H -0.0493
53 V H 0.0000
54 A H 0.0000
55 S H -0.2790
56 I H 0.0000
57 T H -0.5059
58 S H -0.5452
59 S H -0.6529
63 G H -0.9414
64 S H -0.7913
65 T H -0.9009
66 N H -1.5670
67 Y H -1.0280
68 S H 0.0000
69 P H -1.0165
70 S H -1.0235
71 V H 0.0000
72 K H -2.2152
74 G H -1.6323
75 R H -1.6241
76 F H 0.0000
77 T H -0.9630
78 I H 0.0000
79 S H -0.5376
80 R H -1.1757
81 E H -1.5667
82 N H -1.6726
83 A H -1.4208
84 K H -2.0156
85 S H -0.8128
86 T H 0.0000
87 V H 0.0000
88 N H 0.0000
89 L H 0.0000
90 Q H -1.1032
91 M H 0.0000
92 N H -1.7226
93 N H -2.1555
94 L H 0.0000
95 N H -1.8455
96 P H -1.5763
97 E H -2.1270
98 D H 0.0000
99 T H -0.7067
100 A H 0.0000
101 V H -0.2388
102 Y H 0.0000
103 Y H -0.1624
104 C H 0.0000
105 N H 0.0000
106 T H 0.0000
107 W H 1.3143
116 S H 0.5755
117 T H 0.4178
118 W H 0.3311
119 G H -0.6471
120 Q H -1.5106
121 G H -0.7963
122 T H -0.8185
123 Q H -0.6926
124 V H 0.0000
125 T H -0.1049
126 V H 0.0000
127 S H -0.5958
128 S H -0.7171
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Laboratory of Theory of Biopolymers 2018