Project name: A08

Status: done

Started: 2024-04-23 13:28:54
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Chain sequence(s) A: EVQLVESGGGLVQPGGSLRLSCAASGFRISDEDMGWVRQAPGKGLEWVSSIYGPSGSTYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCARDINAYYWDYWGQGTLVTVSSGPGGQLPETGGHHHHHH
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.                                          (00:00:02)
Show buried residues

Minimal score value
-2.955
Maximal score value
1.8382
Average score
-0.6559
Total score value
-88.5471

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 -1.9688
2 V A -0.9046
3 Q A -0.7678
4 L A 0.0000
5 V A 1.2088
6 E A 0.4036
7 S A -0.2543
8 G A -0.8736
9 G A 0.0559
10 G A 0.5532
11 L A 1.1710
12 V A -0.0173
13 Q A -1.0647
14 P A -1.5141
15 G A -1.3764
16 G A -0.8411
17 S A -1.1993
18 L A -0.9485
19 R A -2.1419
20 L A 0.0000
21 S A -0.4010
22 C A 0.0000
23 A A -0.0173
24 A A -0.4769
25 S A -0.9111
26 G A -1.4005
27 F A -1.5471
28 R A -2.9550
29 I A 0.0000
30 S A -2.2296
31 D A -2.6026
32 E A -1.5734
33 D A -0.6432
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 -0.4799
40 A A -1.0334
41 P A -1.1276
42 G A -1.5876
43 K A -2.1418
44 G A -1.0297
45 L A 0.5376
46 E A -0.3250
47 W A 0.3958
48 V A 0.0000
49 S A 0.0000
50 S A 0.0000
51 I A 0.0000
52 Y A -0.1263
53 G A -1.1318
54 P A -1.0866
55 S A -0.6818
56 G A -0.5420
57 S A -0.0542
58 T A 0.4505
59 Y A 0.8352
60 Y A -0.2458
61 A A -1.0474
62 D A -2.2841
63 S A -1.7218
64 V A 0.0000
65 K A -2.4255
66 G A -1.7079
67 R A -1.4270
68 F A 0.0000
69 T A -0.7077
70 I A 0.0000
71 S A -0.5261
72 R A -1.1706
73 D A -1.8244
74 N A -2.8415
75 S A -2.0948
76 K A -2.6812
77 N A -2.2620
78 T A 0.0000
79 L A 0.0000
80 Y A -0.6183
81 L A 0.0000
82 Q A -1.2778
83 M A 0.0000
84 N A -1.5080
85 S A -1.3351
86 L A 0.0000
87 R A -2.8086
88 A A -1.9135
89 E A -2.4524
90 D A 0.0000
91 T A -0.5262
92 A A 0.0000
93 V A 0.9227
94 Y A 0.0000
95 Y A 0.6135
96 C A 0.0000
97 A A 0.0000
98 R A 0.2347
99 D A 0.0000
100 I A 0.8012
101 N A -0.0244
102 A A 0.7404
103 Y A 1.7503
104 Y A 1.8382
105 W A 0.9516
106 D A 0.1682
107 Y A 0.5712
108 W A 0.3938
109 G A 0.0000
110 Q A -0.7864
111 G A 0.1210
112 T A 0.6291
113 L A 1.6784
114 V A 0.0000
115 T A 0.3573
116 V A 0.0000
117 S A -0.7510
118 S A -0.6624
119 G A -0.7184
120 P A -0.8493
121 G A -0.7168
122 G A -0.9490
123 Q A -1.3201
124 L A 0.0634
125 P A -0.9314
126 E A -1.9549
127 T A -1.2994
128 G A -1.7234
129 G A -1.8357
130 H A -2.2117
131 H A -2.5058
132 H A -2.6569
133 H A -2.5647
134 H A -2.3295
135 H A -1.8170
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Laboratory of Theory of Biopolymers 2018