Project name: B02M5

Status: done

Started: 2024-04-23 14:29:35
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Chain sequence(s) A: EVQLVESGGGLVQPGGSLRLSCAASGFRISDEDMGWVRQAPGKGLEWVSSIYGPSGSTYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCARDWDWPWLTELDYWGQGTLVTVSSGPGGQLPETGGHHHHHH
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.                                          (00:00:01)
Show buried residues

Minimal score value
-2.9648
Maximal score value
1.818
Average score
-0.6975
Total score value
-96.2602

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 -2.0417
2 V A -1.0679
3 Q A -1.1962
4 L A 0.0000
5 V A 0.7702
6 E A 0.2073
7 S A -0.3155
8 G A -0.6663
9 G A 0.1023
10 G A 0.6178
11 L A 1.2386
12 V A 0.0464
13 Q A -0.8893
14 P A -1.5047
15 G A -1.4024
16 G A -0.8378
17 S A -1.1992
18 L A -0.9183
19 R A -2.0773
20 L A 0.0000
21 S A -0.4340
22 C A 0.0000
23 A A -0.1852
24 A A 0.0000
25 S A -1.2547
26 G A -1.4958
27 F A -1.5667
28 R A -2.9648
29 I A 0.0000
30 S A -2.2828
31 D A -2.7747
32 E A -1.7376
33 D A -1.0454
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 -0.4723
40 A A -1.0465
41 P A -1.3585
42 G A -1.4554
43 K A -2.1182
44 G A -0.9464
45 L A 0.5437
46 E A -0.1214
47 W A 0.3204
48 V A 0.0000
49 S A 0.0000
50 S A 0.0000
51 I A 0.0000
52 Y A -0.4862
53 G A -1.3071
54 P A -1.0645
55 S A -0.6924
56 G A -0.5561
57 S A -0.0925
58 T A 0.3664
59 Y A 0.6821
60 Y A -0.3006
61 A A 0.0000
62 D A -2.2791
63 S A -1.7604
64 V A 0.0000
65 K A -2.4395
66 G A -1.7148
67 R A -1.2679
68 F A 0.0000
69 T A -0.7150
70 I A 0.0000
71 S A -0.5317
72 R A -1.2047
73 D A -1.8993
74 N A -2.9003
75 S A -2.1487
76 K A -2.7391
77 N A -2.2931
78 T A 0.0000
79 L A 0.0000
80 Y A -0.6217
81 L A 0.0000
82 Q A -1.2303
83 M A 0.0000
84 N A -1.5328
85 S A -1.3509
86 L A 0.0000
87 R A -2.8384
88 A A -1.9533
89 E A -2.5005
90 D A 0.0000
91 T A -0.5405
92 A A 0.0000
93 V A 0.8545
94 Y A 0.0000
95 Y A 0.4484
96 C A 0.0000
97 A A 0.0000
98 R A 0.0000
99 D A -0.5458
100 W A -0.4613
101 D A -0.8275
102 W A 1.0254
103 P A 0.8901
104 W A 1.7680
105 L A 1.8180
106 T A 0.0735
107 E A -0.8890
108 L A 0.1695
109 D A -1.1132
110 Y A -0.3463
111 W A 0.0357
112 G A 0.0000
113 Q A -0.8831
114 G A 0.0159
115 T A 0.5782
116 L A 1.6657
117 V A 0.0000
118 T A 0.3791
119 V A 0.0000
120 S A -0.7613
121 S A -0.6755
122 G A -0.6920
123 P A -0.8136
124 G A -0.6582
125 G A -0.8948
126 Q A -1.2515
127 L A 0.0922
128 P A -0.9111
129 E A -1.9448
130 T A -1.2686
131 G A -1.7031
132 G A -1.8453
133 H A -2.2203
134 H A -2.5155
135 H A -2.6619
136 H A -2.5855
137 H A -2.3232
138 H A -1.8388
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Laboratory of Theory of Biopolymers 2018