Project name: B02

Status: done

Started: 2024-04-23 13:25:51
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Chain sequence(s) A: EVQLVESGGGLVQPGGSLRLSCAASGFRISDEDMGWVRQAPGKGLEWVSSIYGPSGSTYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCARDWDWPWLTELDYWGQGTLVTVSSGPGGQLPETGGHHHHHH
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
-2.9546
Maximal score value
1.7206
Average score
-0.6777
Total score value
-93.5176

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 -1.9087
2 V A -0.8112
3 Q A -0.7114
4 L A 0.0000
5 V A 1.2106
6 E A 0.4004
7 S A -0.2574
8 G A -0.8758
9 G A 0.1128
10 G A 0.6914
11 L A 1.4946
12 V A 0.1608
13 Q A -0.9563
14 P A -1.5016
15 G A -1.3576
16 G A -0.7887
17 S A -1.1947
18 L A -0.9193
19 R A -2.1486
20 L A 0.0000
21 S A -0.4028
22 C A 0.0000
23 A A -0.0138
24 A A -0.3959
25 S A -0.8624
26 G A -1.3400
27 F A -1.4919
28 R A -2.9546
29 I A 0.0000
30 S A -2.1899
31 D A -2.6901
32 E A -1.6318
33 D A 0.0000
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 -0.4790
40 A A -1.0292
41 P A -1.1277
42 G A -1.5873
43 K A -2.1358
44 G A -0.9764
45 L A 0.5356
46 E A -0.3320
47 W A 0.2902
48 V A 0.0000
49 S A 0.0000
50 S A 0.0000
51 I A 0.0000
52 Y A -0.2534
53 G A -1.3209
54 P A -1.0168
55 S A -0.6565
56 G A -0.5191
57 S A -0.0406
58 T A 0.4684
59 Y A 0.8296
60 Y A -0.2530
61 A A -1.0618
62 D A -2.2710
63 S A -1.7268
64 V A 0.0000
65 K A -2.4210
66 G A -1.7066
67 R A -1.2467
68 F A 0.0000
69 T A -0.7092
70 I A 0.0000
71 S A -0.5248
72 R A -1.1717
73 D A -1.8228
74 N A -2.8485
75 S A -2.0977
76 K A -2.6849
77 N A -2.2658
78 T A 0.0000
79 L A 0.0000
80 Y A -0.6217
81 L A 0.0000
82 Q A -1.2897
83 M A 0.0000
84 N A -1.5109
85 S A -1.3251
86 L A 0.0000
87 R A -2.7982
88 A A -1.9045
89 E A -2.4523
90 D A 0.0000
91 T A -0.4914
92 A A 0.0000
93 V A 0.9152
94 Y A 0.0000
95 Y A 0.5907
96 C A 0.0000
97 A A 0.0000
98 R A 0.0000
99 D A -0.5514
100 W A 0.0526
101 D A -0.3716
102 W A 1.1161
103 P A 1.0732
104 W A 1.6928
105 L A 1.7206
106 T A -0.0107
107 E A -1.5739
108 L A -1.0746
109 D A -1.7279
110 Y A -0.3591
111 W A 0.1334
112 G A 0.0000
113 Q A -0.7917
114 G A 0.1138
115 T A 0.6267
116 L A 1.7192
117 V A 0.0000
118 T A 0.4775
119 V A 0.0000
120 S A -0.6648
121 S A -0.6284
122 G A -0.6602
123 P A -0.7876
124 G A -0.6797
125 G A -0.9492
126 Q A -1.2803
127 L A 0.0768
128 P A -0.9222
129 E A -1.9451
130 T A -1.3017
131 G A -1.7217
132 G A -1.8470
133 H A -2.2108
134 H A -2.5128
135 H A -2.6362
136 H A -2.5761
137 H A -2.3249
138 H A -1.8257
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Laboratory of Theory of Biopolymers 2018