Project name: F03

Status: done

Started: 2024-04-23 13:30:57
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Chain sequence(s) A: EVQLVESGGGLVQPGGSLRLSCAASGFRISDEDMGWVRQAPGKGLEWVSSIYGPSGSTYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCARGPTGWSGGDYWGQGTLVTVSSGPGGQLPETGGHHHHHH
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                                          (00:00:00)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:01)
Show buried residues

Minimal score value
-2.9778
Maximal score value
1.6922
Average score
-0.7551
Total score value
-102.6972

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 -1.9526
2 V A -0.8635
3 Q A -0.7422
4 L A 0.0000
5 V A 1.2198
6 E A 0.4047
7 S A -0.2644
8 G A -0.8762
9 G A 0.0720
10 G A 0.6005
11 L A 1.2757
12 V A 0.0453
13 Q A -1.0205
14 P A -1.5138
15 G A -1.3610
16 G A -0.8133
17 S A -1.1975
18 L A -0.9413
19 R A -2.1432
20 L A 0.0000
21 S A -0.4052
22 C A 0.0000
23 A A -0.0137
24 A A -0.5302
25 S A -0.8908
26 G A -1.3825
27 F A -1.5745
28 R A -2.9778
29 I A 0.0000
30 S A -2.2863
31 D A -2.8640
32 E A -2.0552
33 D A -1.1615
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 -0.5053
40 A A -1.0368
41 P A -1.3222
42 G A -1.5924
43 K A -2.1263
44 G A -0.9995
45 L A 0.5418
46 E A -0.3073
47 W A 0.3462
48 V A 0.0000
49 S A 0.0000
50 S A 0.0000
51 I A 0.0000
52 Y A -0.4637
53 G A -1.4627
54 P A -1.1351
55 S A -0.7361
56 G A -0.6363
57 S A -0.1602
58 T A 0.2837
59 Y A 0.5364
60 Y A -0.3950
61 A A 0.0000
62 D A -2.3628
63 S A -1.7642
64 V A 0.0000
65 K A -2.4520
66 G A -1.7052
67 R A -1.4241
68 F A 0.0000
69 T A -0.7310
70 I A 0.0000
71 S A -0.5103
72 R A -1.1393
73 D A -1.7727
74 N A -2.7370
75 S A -2.0453
76 K A -2.6485
77 N A -2.2297
78 T A 0.0000
79 L A 0.0000
80 Y A -0.6177
81 L A 0.0000
82 Q A -1.2775
83 M A 0.0000
84 N A -1.5149
85 S A -1.3278
86 L A 0.0000
87 R A -2.8019
88 A A -1.9064
89 E A -2.4800
90 D A 0.0000
91 T A -0.5189
92 A A 0.0000
93 V A 0.9140
94 Y A 0.0000
95 Y A 0.5890
96 C A 0.0000
97 A A 0.0000
98 R A -0.8122
99 G A -0.8708
100 P A -0.6315
101 T A -0.0296
102 G A 0.0847
103 W A 0.7998
104 S A -0.2447
105 G A -0.8196
106 G A -1.0130
107 D A -1.6845
108 Y A -0.3037
109 W A 0.1713
110 G A 0.0000
111 Q A -0.7774
112 G A 0.1205
113 T A 0.6281
114 L A 1.6922
115 V A 0.0000
116 T A 0.4001
117 V A 0.0000
118 S A -0.7216
119 S A -0.6580
120 G A -0.6815
121 P A -0.8330
122 G A -0.6914
123 G A -0.9549
124 Q A -1.3050
125 L A 0.0720
126 P A -0.9290
127 E A -1.9431
128 T A -1.2959
129 G A -1.6968
130 G A -1.8288
131 H A -2.2089
132 H A -2.5092
133 H A -2.6412
134 H A -2.5789
135 H A -2.3280
136 H A -1.8255
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Laboratory of Theory of Biopolymers 2018