Project name: 9c3382ada0e2b09

Status: done

Started: 2026-05-20 11:24:21
Settings
Chain sequence(s) A: AGSITTLPALPEDGGSGAFPPGHFKDPKRLYCKNGGFFLRIHPDGRVDGVREKSDPHIKLQLQAEERGVVSIKGVCANRYLAMKEDGRLLASKCVTDECFFFERLESNNYNTYRSRKYTSWYVALKRTGQYKLGSKTGPGQKAILFLPMSAKS
input PDB
Selected Chain(s) A
Distance of aggregation 10 Å
FoldX usage Yes
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]       FoldX:    Starting FoldX energy minimalization                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:02:25)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:26)
Show buried residues

Minimal score value
-3.6608
Maximal score value
1.9489
Average score
-0.8773
Total score value
-134.2194

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 A A 0.0404
2 G A -0.0204
3 S A 0.5232
4 I A 1.9489
5 T A 1.1617
6 T A 1.1652
7 L A 1.8961
8 P A 0.9063
9 A A 0.7195
10 L A 0.8225
11 P A -1.0778
12 E A -2.6464
13 D A -2.9431
14 G A -2.4246
15 G A -1.8177
16 S A -1.2331
17 G A -0.1832
18 A A -0.1414
19 F A 0.5288
20 P A -0.0873
21 P A -0.7580
22 G A -1.3425
23 H A -1.6754
24 F A -1.5006
25 K A -2.5220
26 D A -2.2578
27 P A -1.5673
28 K A -1.0835
29 R A -0.8393
30 L A 0.0000
31 Y A -0.1335
32 C A 0.0000
33 K A -1.4344
34 N A 0.0000
35 G A -1.6656
36 G A -1.2124
37 F A 0.0000
38 F A 0.0000
39 L A 0.0000
40 R A -1.1679
41 I A 0.0000
42 H A -1.6035
43 P A -1.8692
44 D A -2.6567
45 G A 0.0000
46 R A -2.4315
47 V A 0.0000
48 D A -1.0154
49 G A -1.2353
50 V A -1.7935
51 R A -3.1460
52 E A -3.6295
53 K A -3.3107
54 S A -2.0860
55 D A -1.9177
56 P A -0.9025
57 H A -0.7295
58 I A 0.0000
59 K A -1.1428
60 L A 0.0000
61 Q A -1.1362
62 L A 0.0000
63 Q A -1.8111
64 A A -2.1545
65 E A -3.2374
66 E A -3.6608
67 R A -3.0436
68 G A -1.8194
69 V A 0.0000
70 V A 0.0000
71 S A 0.0000
72 I A 0.0000
73 K A -0.6728
74 G A 0.0000
75 V A 0.0587
76 C A 0.2313
77 A A -1.2916
78 N A -1.4732
79 R A -1.5269
80 Y A -0.2845
81 L A 0.0000
82 A A 0.0000
83 M A 0.0000
84 K A -2.4876
85 E A -3.2589
86 D A -2.9462
87 G A 0.0000
88 R A -2.1306
89 L A 0.0000
90 L A -0.8547
91 A A 0.0000
92 S A -0.9856
93 K A -1.7193
94 C A 0.3365
95 V A 0.9831
96 T A 0.0319
97 D A -1.4022
98 E A -1.3242
99 C A 0.0000
100 F A 0.0000
101 F A 0.0000
102 F A -0.9363
103 E A -0.8598
104 R A -0.8282
105 L A 0.0214
106 E A -1.1473
107 S A -1.2625
108 N A -1.8287
109 N A -1.6856
110 Y A -0.9452
111 N A -0.3977
112 T A 0.0000
113 Y A 0.0000
114 R A -0.8322
115 S A 0.0000
116 R A -1.5324
117 K A -2.2694
118 Y A -1.4236
119 T A -0.6851
120 S A -0.6862
121 W A -0.5728
122 Y A -0.3586
123 V A 0.0000
124 A A 0.0000
125 L A 0.0000
126 K A -2.1030
127 R A -2.6860
128 T A -1.4274
129 G A 0.0000
130 Q A -1.3005
131 Y A -1.1294
132 K A -1.2812
133 L A -1.2420
134 G A 0.0000
135 S A -1.6490
136 K A -1.7951
137 T A -1.2679
138 G A -1.0124
139 P A -0.8802
140 G A -1.1939
141 Q A -1.7412
142 K A -2.5392
143 A A 0.0000
144 I A 0.0000
145 L A 0.0000
146 F A 0.0000
147 L A 0.3987
148 P A 0.0994
149 M A -0.0638
150 S A -0.9627
151 A A 0.0000
152 K A -2.0494
153 S A -1.0908
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Laboratory of Theory of Biopolymers 2018