Project name: 1291

Status: done

Started: 2025-06-23 11:41:23
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Chain sequence(s) H: DVQLQESGGGSVQAGGSLRLSCAASTYTYSRACMGWFRQAPGTEREGVAVIDRSGSTSYADSVKGRFTISKDSAKNTLYLQMNSLKPEDTAMYFCAAGPWEGPYCRRRSRDDFAYWGQGTQVTVSS
input PDB
Selected Chain(s) H
Distance of aggregation 5 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
-2.4308
Maximal score value
1.3167
Average score
-0.3831
Total score value
-48.2645

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 D H -1.7096
2 V H -0.1743
3 Q H -1.1210
4 L H 0.0000
5 Q H -1.1983
6 E H 0.0000
7 S H -0.2472
8 G H -0.3712
9 G H -0.2707
11 G H -0.2386
12 S H -0.1955
13 V H 0.0229
14 Q H -1.1595
15 A H -0.4219
16 G H -0.5026
17 G H -0.2322
18 S H -0.2340
19 L H -0.1382
20 R H -1.8391
21 L H 0.0000
22 S H -0.0107
23 C H 0.0000
24 A H 0.0438
25 A H -0.0228
26 S H -0.2179
27 T H 0.1021
28 Y H 1.3167
29 T H 0.2126
30 Y H 0.1060
35 S H -0.5504
36 R H -1.8025
37 A H -0.3154
38 C H 0.0829
39 M H 0.0000
40 G H 0.0000
41 W H 0.0000
42 F H 0.0000
43 R H 0.0000
44 Q H -0.5081
45 A H -0.1318
46 P H -0.3410
47 G H -0.5281
48 T H -0.5367
49 E H -1.9189
50 R H -0.9186
51 E H -0.4874
52 G H -0.2163
53 V H 0.0000
54 A H 0.0000
55 V H 0.1709
56 I H 0.0000
57 D H 0.0000
58 R H -0.6244
59 S H -0.2853
63 G H -0.2292
64 S H -0.1910
65 T H -0.0874
66 S H -0.0161
67 Y H 0.2700
68 A H -0.2673
69 D H -1.8202
70 S H -0.5148
71 V H 0.0000
72 K H -1.7778
74 G H -0.7916
75 R H -0.3122
76 F H 0.0000
77 T H -0.0603
78 I H 0.0000
79 S H -0.1818
80 K H -0.5954
81 D H -0.7470
82 S H -0.2834
83 A H -0.3661
84 K H -1.7681
85 N H -0.4814
86 T H 0.0000
87 L H 0.0000
88 Y H 0.2202
89 L H 0.0000
90 Q H -0.5354
91 M H 0.0000
92 N H -0.6704
93 S H -0.3371
94 L H 0.0000
95 K H -1.1979
96 P H -0.6653
97 E H -1.8438
98 D H 0.0000
99 T H -0.0256
100 A H 0.0000
101 M H 0.2131
102 Y H 0.0000
103 F H 0.2643
104 C H 0.0000
105 A H 0.0000
106 A H 0.0719
107 G H 0.0000
108 P H -0.2542
109 W H -0.2625
110 E H -1.3254
111 G H -0.5279
111A P H -0.0512
111B Y H 1.2898
111C C H 0.0000
112D R H -2.1699
112C R H -2.2777
112B R H -1.0712
112A S H -0.7742
112 R H -1.9723
113 D H -2.4308
114 D H -2.2754
115 F H -0.2828
116 A H 0.2252
117 Y H 0.6752
118 W H 0.3694
119 G H 0.0000
120 Q H -1.2174
121 G H -0.2947
122 T H -0.1701
123 Q H -0.7156
124 V H 0.0000
125 T H -0.0568
126 V H 0.0000
127 S H -0.3149
128 S H -0.2397
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Laboratory of Theory of Biopolymers 2018