Project name: D05

Status: done

Started: 2024-04-23 13:23:02
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Chain sequence(s) A: EVQLVESGGGLVQPGGSLRLSCAASGFRISDEDMGWVRQAPGKGLEWVSSIYGPSGSTYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCARGPTGWAYGDYWGQGTLVTVSSGPGGQLPETGGHHHHHH
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
-2.981
Maximal score value
1.7121
Average score
-0.7027
Total score value
-95.5704

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 -1.9697
2 V A -0.8956
3 Q A -0.7591
4 L A 0.0000
5 V A 1.2141
6 E A 0.4928
7 S A -0.2572
8 G A -0.8726
9 G A 0.1029
10 G A 0.6641
11 L A 1.4157
12 V A 0.1098
13 Q A -0.9996
14 P A -1.4680
15 G A -1.3730
16 G A -0.8139
17 S A -1.2080
18 L A -0.9269
19 R A -2.1470
20 L A 0.0000
21 S A -0.4033
22 C A 0.0000
23 A A -0.0150
24 A A -0.5424
25 S A -0.9084
26 G A -1.4004
27 F A -1.5824
28 R A -2.9810
29 I A 0.0000
30 S A -2.2892
31 D A -2.8536
32 E A -1.9969
33 D A -1.1176
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 -0.5117
40 A A -1.0348
41 P A -1.3176
42 G A -1.5929
43 K A -2.1288
44 G A -1.0028
45 L A 0.5373
46 E A -0.3166
47 W A 0.3155
48 V A 0.0000
49 S A 0.0000
50 S A 0.0000
51 I A 0.0000
52 Y A -0.4463
53 G A -1.4397
54 P A -1.1140
55 S A -0.6768
56 G A -0.6324
57 S A -0.1581
58 T A 0.2759
59 Y A 0.5195
60 Y A -0.4105
61 A A 0.0000
62 D A -2.3702
63 S A -1.7448
64 V A 0.0000
65 K A -2.4615
66 G A -1.7088
67 R A -1.6151
68 F A 0.0000
69 T A -0.7411
70 I A 0.0000
71 S A -0.5133
72 R A -1.1448
73 D A -1.7838
74 N A -2.7726
75 S A -2.0627
76 K A -2.6593
77 N A -2.2413
78 T A 0.0000
79 L A 0.0000
80 Y A -0.6190
81 L A 0.0000
82 Q A -1.2897
83 M A 0.0000
84 N A -1.5223
85 S A -1.3366
86 L A 0.0000
87 R A -2.8253
88 A A -1.9095
89 E A -2.4785
90 D A 0.0000
91 T A -0.5029
92 A A 0.0000
93 V A 0.9149
94 Y A 0.0000
95 Y A 0.5893
96 C A 0.0000
97 A A 0.0000
98 R A -0.5467
99 G A -0.3573
100 P A -0.2119
101 T A 0.2800
102 G A 0.4168
103 W A 1.3114
104 A A 0.8159
105 Y A 1.0502
106 G A 0.0000
107 D A -1.1085
108 Y A -0.0382
109 W A 0.1761
110 G A 0.0000
111 Q A -0.7801
112 G A 0.1216
113 T A 0.6299
114 L A 1.7121
115 V A 0.0000
116 T A 0.4465
117 V A 0.0000
118 S A -0.6955
119 S A -0.6513
120 G A -0.6662
121 P A -0.8362
122 G A -0.6995
123 G A -0.9520
124 Q A -1.3168
125 L A 0.0552
126 P A -0.9381
127 E A -1.9539
128 T A -1.3068
129 G A -1.7454
130 G A -1.8630
131 H A -2.2242
132 H A -2.5337
133 H A -2.6649
134 H A -2.5916
135 H A -2.3536
136 H A -1.8356
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Laboratory of Theory of Biopolymers 2018