Project name: A07

Status: done

Started: 2024-04-23 13:24:39
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Chain sequence(s) A: EVQLVESGGGLVQPGGSLRLSCAASGFRISDEDMGWVRQAPGKGLEWVSSIYGPSGSTYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCARGPTGWEYGDYWGQGTLVTVSSGPGGQLPETGGHHHHHH
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
-2.9754
Maximal score value
1.6783
Average score
-0.751
Total score value
-102.1337

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 -1.9613
2 V A -0.8794
3 Q A -0.7386
4 L A 0.0000
5 V A 1.2198
6 E A 0.4974
7 S A -0.2531
8 G A -0.8720
9 G A 0.0537
10 G A 0.5490
11 L A 1.1667
12 V A -0.0085
13 Q A -1.0411
14 P A -1.5198
15 G A -1.3616
16 G A -0.8271
17 S A -1.1993
18 L A -0.9541
19 R A -2.1429
20 L A 0.0000
21 S A -0.3995
22 C A 0.0000
23 A A -0.0106
24 A A -0.5312
25 S A -0.8954
26 G A -1.3892
27 F A -1.5683
28 R A -2.9754
29 I A 0.0000
30 S A -2.2998
31 D A -2.8652
32 E A -2.0183
33 D A -1.1273
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 -0.4990
40 A A -1.0269
41 P A -1.1295
42 G A -1.5891
43 K A -2.1271
44 G A -1.0033
45 L A 0.5315
46 E A -0.3382
47 W A 0.3138
48 V A 0.0000
49 S A 0.0000
50 S A 0.0000
51 I A 0.0000
52 Y A -0.4834
53 G A -1.4969
54 P A -1.1888
55 S A -0.7627
56 G A -0.6557
57 S A -0.1713
58 T A 0.2795
59 Y A 0.5452
60 Y A -0.3908
61 A A 0.0000
62 D A -2.3667
63 S A -1.7477
64 V A 0.0000
65 K A -2.4575
66 G A -1.7077
67 R A -1.4269
68 F A 0.0000
69 T A -0.7330
70 I A 0.0000
71 S A -0.5137
72 R A -1.1450
73 D A -1.7796
74 N A -2.7657
75 S A -2.0585
76 K A -2.6531
77 N A -2.2291
78 T A 0.0000
79 L A 0.0000
80 Y A -0.6160
81 L A 0.0000
82 Q A -1.2804
83 M A 0.0000
84 N A -1.5141
85 S A -1.3269
86 L A 0.0000
87 R A -2.7988
88 A A -1.9038
89 E A -2.4519
90 D A 0.0000
91 T A -0.5310
92 A A 0.0000
93 V A 0.9188
94 Y A 0.0000
95 Y A 0.5944
96 C A 0.0000
97 A A 0.0000
98 R A -0.5495
99 G A -0.8551
100 P A -0.6636
101 T A -0.0608
102 G A -0.0520
103 W A 0.4615
104 E A -1.0155
105 Y A 0.1476
106 G A -0.5174
107 D A -1.3934
108 Y A -0.0439
109 W A 0.1864
110 G A 0.0000
111 Q A -0.7735
112 G A 0.1271
113 T A 0.6316
114 L A 1.6783
115 V A 0.0000
116 T A 0.3610
117 V A 0.0000
118 S A -0.7385
119 S A -0.6801
120 G A -0.7095
121 P A -0.8545
122 G A -0.7245
123 G A -0.9656
124 Q A -1.3182
125 L A 0.0733
126 P A -0.9379
127 E A -1.9566
128 T A -1.2987
129 G A -1.7166
130 G A -1.8372
131 H A -2.2091
132 H A -2.5141
133 H A -2.6420
134 H A -2.5779
135 H A -2.3315
136 H A -1.8243
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Laboratory of Theory of Biopolymers 2018