Project name: G07

Status: done

Started: 2024-04-23 13:27:32
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Chain sequence(s) A: EVQLVESGGGLVQPGGSLRLSCAASGFRISDEDMGWVRQAPGKGLEWVSSIYGPSGSTYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCARDYDWAWADYWGQGTLVTVSSGPGGQLPETGGHHHHHH
input PDB
Selected Chain(s) A
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 A 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                                          (00:00:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:02)
Show buried residues

Minimal score value
-2.9692
Maximal score value
1.687
Average score
-0.6867
Total score value
-92.7088

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 -1.9235
2 V A -0.7995
3 Q A -0.6936
4 L A 0.0000
5 V A 1.2161
6 E A 0.4951
7 S A -0.2553
8 G A -0.6951
9 G A 0.0836
10 G A 0.6067
11 L A 1.2751
12 V A 0.0613
13 Q A -1.0138
14 P A -1.5245
15 G A -1.3682
16 G A -0.8166
17 S A -1.1825
18 L A -0.9221
19 R A -2.1318
20 L A 0.0000
21 S A -0.3990
22 C A 0.0000
23 A A -0.0125
24 A A -0.5159
25 S A -0.8834
26 G A -1.3607
27 F A -1.5147
28 R A -2.9692
29 I A 0.0000
30 S A -2.3348
31 D A -2.8765
32 E A -1.8437
33 D A -1.0523
34 M A 0.0000
35 G A 0.0000
36 W A 0.0000
37 V A 0.0000
38 R A 0.0000
39 Q A -0.4889
40 A A -1.0309
41 P A -1.3159
42 G A -1.5902
43 K A -2.1269
44 G A -1.0048
45 L A 0.5446
46 E A -0.2963
47 W A 0.4547
48 V A 0.0000
49 S A 0.0000
50 S A 0.0000
51 I A 0.0000
52 Y A 0.0000
53 G A -1.5853
54 P A -1.2436
55 S A -0.8414
56 G A -0.7503
57 S A -0.2592
58 T A 0.2415
59 Y A 0.5873
60 Y A -0.3355
61 A A 0.0000
62 D A -2.3570
63 S A -1.7334
64 V A 0.0000
65 K A -2.4467
66 G A -1.7028
67 R A -1.4211
68 F A 0.0000
69 T A -0.7119
70 I A 0.0000
71 S A -0.5133
72 R A -1.1528
73 D A -1.8002
74 N A -2.8125
75 S A -2.0813
76 K A -2.6700
77 N A -2.2542
78 T A 0.0000
79 L A 0.0000
80 Y A -0.6113
81 L A 0.0000
82 Q A -1.2304
83 M A 0.0000
84 N A -1.4815
85 S A -1.3151
86 L A 0.0000
87 R A -2.8023
88 A A -1.9056
89 E A -2.4809
90 D A 0.0000
91 T A -0.5155
92 A A 0.0000
93 V A 0.9119
94 Y A 0.0000
95 Y A 0.6011
96 C A 0.0000
97 A A 0.0000
98 R A 0.0178
99 D A 0.0000
100 Y A 0.3251
101 D A -0.6169
102 W A 0.8221
103 A A 0.8194
104 W A 1.1072
105 A A 0.4773
106 D A -0.0439
107 Y A 0.4946
108 W A 0.4139
109 G A 0.0000
110 Q A -0.7727
111 G A 0.1291
112 T A 0.6207
113 L A 1.6870
114 V A 0.0000
115 T A 0.4068
116 V A 0.0000
117 S A -0.7567
118 S A -0.6649
119 G A -0.6887
120 P A -0.8265
121 G A -0.7196
122 G A -0.9804
123 Q A -1.3022
124 L A 0.0823
125 P A -0.9261
126 E A -1.9554
127 T A -1.3032
128 G A -1.7260
129 G A -1.8469
130 H A -2.2126
131 H A -2.5188
132 H A -2.6408
133 H A -2.5774
134 H A -2.3295
135 H A -1.8237
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Laboratory of Theory of Biopolymers 2018