Project name: E01

Status: done

Started: 2024-04-23 13:16:17
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Chain sequence(s) A: EVQLVESGGGLVQPGGSLRLSCAASGFRISDEDMGWVRQAPGKGLEWVSSIYGPSGSTYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCARGPTGWDPRGDYWGQGTLVTVSSGPGGQLPETGGHHHHHH
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       runJob:   FoldX not utilized. Treating input pdb file as it was already optimized.    (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:02)
Show buried residues

Minimal score value
-2.954
Maximal score value
1.7148
Average score
-0.7989
Total score value
-109.4519

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 -1.9777
2 V A -0.9030
3 Q A -0.7561
4 L A 0.0000
5 V A 1.2089
6 E A 0.4029
7 S A -0.2548
8 G A -0.8723
9 G A 0.1034
10 G A 0.6709
11 L A 1.4113
12 V A 0.1048
13 Q A -0.8880
14 P A -1.4940
15 G A -1.3791
16 G A -0.8205
17 S A -1.0580
18 L A -0.9218
19 R A -2.1452
20 L A 0.0000
21 S A -0.4063
22 C A 0.0000
23 A A -0.0176
24 A A 0.0000
25 S A -0.9140
26 G A -1.4159
27 F A -1.5472
28 R A -2.9540
29 I A 0.0000
30 S A -2.2798
31 D A -2.7969
32 E A -1.8283
33 D A -1.1338
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 -0.4832
40 A A -1.0323
41 P A -1.3155
42 G A -1.5894
43 K A -2.1300
44 G A -1.0087
45 L A 0.5560
46 E A -0.2796
47 W A 0.5114
48 V A 0.0000
49 S A 0.0000
50 S A 0.0000
51 I A 0.0000
52 Y A -0.4292
53 G A -1.4295
54 P A -1.1626
55 S A -0.7519
56 G A -0.6334
57 S A -0.1539
58 T A 0.3344
59 Y A 0.6889
60 Y A -0.3040
61 A A 0.0000
62 D A -2.3554
63 S A -1.7332
64 V A 0.0000
65 K A -2.4460
66 G A -1.7092
67 R A -1.4289
68 F A 0.0000
69 T A -0.7228
70 I A 0.0000
71 S A -0.5285
72 R A -1.1763
73 D A -1.8300
74 N A -2.8539
75 S A -2.1028
76 K A -2.6857
77 N A -2.2684
78 T A 0.0000
79 L A 0.0000
80 Y A -0.6219
81 L A 0.0000
82 Q A -1.2848
83 M A 0.0000
84 N A -1.5127
85 S A -1.3328
86 L A 0.0000
87 R A -2.8095
88 A A -1.9140
89 E A -2.4779
90 D A 0.0000
91 T A -0.4981
92 A A 0.0000
93 V A 0.9185
94 Y A 0.0000
95 Y A 0.5982
96 C A 0.0000
97 A A 0.0000
98 R A -0.9678
99 G A -1.1518
100 P A -0.3658
101 T A -0.1939
102 G A -0.3763
103 W A 0.2446
104 D A -1.5521
105 P A -1.7024
106 R A -2.6734
107 G A -2.2800
108 D A -2.3112
109 Y A -0.5502
110 W A 0.0551
111 G A 0.0000
112 Q A -0.7887
113 G A 0.1184
114 T A 0.6289
115 L A 1.7148
116 V A 0.0000
117 T A 0.4424
118 V A 0.0000
119 S A -0.6925
120 S A -0.6335
121 G A -0.6717
122 P A -0.8232
123 G A -0.7120
124 G A -0.9785
125 Q A -1.2582
126 L A 0.0823
127 P A -0.9145
128 E A -1.9517
129 T A -1.3036
130 G A -1.7108
131 G A -1.8340
132 H A -2.2062
133 H A -2.5104
134 H A -2.6391
135 H A -2.5787
136 H A -2.3289
137 H A -1.8266
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Laboratory of Theory of Biopolymers 2018