Project name: 281551cf8809dcb

Status: done

Started: 2026-04-29 05:59:54
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Chain sequence(s) A: MMMPANFTAVNSEVVYGGADLFSILADTTAPVWGAANVKKFNTNLITLVSNSFFQKTIDNTLGVMFSGNWGEDNKLFGEEGSLNQKMFGLWTKKADGSLDTRTDDMNFGNKVMQVLGMASVAYTLGTTDAKVGFNDKVAG
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
-3.5142
Maximal score value
2.907
Average score
0.0532
Total score value
7.4417

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 M A 1.7904
2 M A 2.0216
3 M A 1.5556
4 P A 0.6033
5 A A 0.4739
6 N A -0.0495
7 F A 1.5632
8 T A 0.4226
9 A A 0.5595
10 V A 1.6021
11 N A 0.3419
12 S A 0.1357
13 E A -0.3860
14 V A 1.6584
15 V A 2.1310
16 Y A 1.1760
17 G A 0.1956
18 G A -0.2657
19 A A -0.0640
20 D A -0.2582
21 L A 2.0619
22 F A 2.3391
23 S A 0.8285
24 I A 1.2949
25 L A 1.5505
26 A A 0.6547
27 D A -0.9080
28 T A 0.1870
29 T A 0.6511
30 A A 0.4901
31 P A 0.4730
32 V A 1.8214
33 W A 1.8000
34 G A 0.3075
35 A A -0.1765
36 A A -0.7564
37 N A -0.8223
38 V A -0.4551
39 K A -2.1805
40 K A -1.9570
41 F A 0.4901
42 N A -0.2329
43 T A -0.1343
44 N A 0.4969
45 L A 2.2653
46 I A 2.7307
47 T A 1.7395
48 L A 2.5946
49 V A 2.5666
50 S A 0.9480
51 N A 0.2902
52 S A 0.0209
53 F A 1.5321
54 F A 0.9580
55 Q A -1.0828
56 K A -2.0249
57 T A -0.6125
58 I A -0.2907
59 D A -1.7990
60 N A -1.8781
61 T A -0.1068
62 L A 1.2577
63 G A 0.3418
64 V A 1.0225
65 M A 2.2738
66 F A 2.7795
67 S A 1.0849
68 G A 0.0000
69 N A -0.9769
70 W A 0.1905
71 G A -1.8958
72 E A -3.2466
73 D A -3.5142
74 N A -3.1150
75 K A -2.1154
76 L A 0.0674
77 F A 0.8208
78 G A -1.1249
79 E A -2.6600
80 E A -2.8667
81 G A 0.0000
82 S A -0.9833
83 L A -0.0668
84 N A 0.0000
85 Q A -1.4013
86 K A -1.1391
87 M A 0.0402
88 F A -0.1746
89 G A -0.6728
90 L A -0.0510
91 W A -0.8626
92 T A -1.6662
93 K A -3.0089
94 K A -2.9748
95 A A -1.8896
96 D A -2.2071
97 G A -2.0553
98 S A -0.8326
99 L A -0.2858
100 D A -2.0355
101 T A -1.2819
102 R A -1.0683
103 T A -1.1360
104 D A -1.8078
105 D A -1.2405
106 M A -0.6664
107 N A -0.9582
108 F A 0.9966
109 G A -0.0417
110 N A -0.5481
111 K A 0.4545
112 V A 1.6036
113 M A 1.7751
114 Q A 1.0827
115 V A 2.3542
116 L A 2.6209
117 G A 1.8925
118 M A 2.0594
119 A A 2.1399
120 S A 1.9621
121 V A 2.9070
122 A A 2.1312
123 Y A 2.1673
124 T A 1.4134
125 L A 1.8403
126 G A 0.3917
127 T A -0.0112
128 T A -0.5425
129 D A -1.5141
130 A A -0.8316
131 K A -1.4989
132 V A -0.1509
133 G A -0.5125
134 F A 0.3266
135 N A -1.1788
136 D A -2.0981
137 K A -1.5646
138 V A 0.2081
139 A A -0.4191
140 G A -0.7527
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Laboratory of Theory of Biopolymers 2018