Project name: 8cc8b23c3884e0c

Status: done

Started: 2026-06-22 02:57:33
Settings
Chain sequence(s) A: SKIKGSRHWGFILGKRGEPPPGKPADDAGLVSRHWGFILGKRGEPPPGKPADDAGLVSRHWGFILGKRGEPPPGKPADDAGLVSRHWGFILGKRGEPPPGKPADDAGLVSRHWGFILGKRGEPPPGKPADDAGLVSRHWGFILGKRGEPPPGKPADDAGLV
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                                          (00:02:48)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:49)
Show buried residues

Minimal score value
-4.6146
Maximal score value
2.509
Average score
-0.9815
Total score value
-158.0158

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 S A -1.0064
2 K A -1.8265
3 I A -0.7082
4 K A -1.8431
5 G A -1.2264
6 S A -1.0075
7 R A -1.2795
8 H A -1.5156
9 W A -0.5421
10 G A 0.1132
11 F A 1.0161
12 I A 2.3618
13 L A 0.0000
14 G A -2.1079
15 K A -4.1040
16 R A -3.9482
17 G A -2.4419
18 E A -2.9492
19 P A -1.3743
20 P A -1.2072
21 P A -1.5575
22 G A -1.7270
23 K A -2.8523
24 P A 0.0000
25 A A -1.6491
26 D A -2.6426
27 D A -1.6254
28 A A -0.8864
29 G A -0.6416
30 L A -0.1669
31 V A 0.0000
32 S A -0.6349
33 R A 0.0000
34 H A -1.2456
35 W A 0.0000
36 G A 0.2591
37 F A 0.0000
38 I A 2.1389
39 L A 0.0000
40 G A -2.1974
41 K A -3.8862
42 R A -4.6146
43 G A 0.0000
44 E A -3.6548
45 P A 0.0000
46 P A 0.0000
47 P A -1.5890
48 G A -1.9520
49 K A -3.1699
50 P A 0.0000
51 A A 0.0000
52 D A -3.2886
53 D A 0.0000
54 A A -0.7796
55 G A 0.2302
56 L A 0.9775
57 V A 0.0000
58 S A -0.1221
59 R A 0.0000
60 H A -1.0270
61 W A 0.0000
62 G A 0.1247
63 F A 0.0000
64 I A 1.8587
65 L A 0.0000
66 G A -2.1188
67 K A -3.7466
68 R A -3.6488
69 G A 0.0000
70 E A -3.5432
71 P A 0.0000
72 P A 0.0000
73 P A -1.6240
74 G A -1.8555
75 K A -3.1331
76 P A 0.0000
77 A A 0.0000
78 D A -3.2273
79 D A 0.0000
80 A A -0.6731
81 G A 0.0935
82 L A 1.0418
83 V A 0.0000
84 S A -0.0297
85 R A 0.0000
86 H A -0.8485
87 W A -0.2659
88 G A 0.2219
89 F A 0.0000
90 I A 1.7991
91 L A 0.0000
92 G A -2.1987
93 K A -3.5761
94 R A -3.2033
95 G A 0.0000
96 E A -3.0200
97 P A 0.0000
98 P A -1.3815
99 P A -1.6333
100 G A -2.0184
101 K A -3.1917
102 P A -2.5338
103 A A 0.0000
104 D A -3.2305
105 D A 0.0000
106 A A -0.5489
107 G A 0.2816
108 L A 1.1749
109 V A 0.0000
110 S A -0.0274
111 R A 0.0000
112 H A -0.9414
113 W A -0.2826
114 G A 0.5573
115 F A 0.0000
116 I A 2.1626
117 L A 0.0000
118 G A -2.4258
119 K A -4.5034
120 R A -4.4912
121 G A 0.0000
122 E A -2.5161
123 P A -1.2436
124 P A -1.1430
125 P A -1.5003
126 G A -1.8734
127 K A -2.5994
128 P A -1.9108
129 A A 0.0000
130 D A -2.7853
131 D A -1.5153
132 A A -0.7535
133 G A -0.1004
134 L A 1.5688
135 V A 0.6258
136 S A 0.0086
137 R A -1.0443
138 H A -1.1778
139 W A -0.0865
140 G A 0.6324
141 F A 1.3985
142 I A 2.5090
143 L A -0.3686
144 G A -1.9965
145 K A -3.2476
146 R A -4.0753
147 G A -3.1667
148 E A -3.2521
149 P A -1.3053
150 P A -1.4327
151 P A -1.3605
152 G A -1.5767
153 K A -2.4247
154 P A -1.9001
155 A A -1.9923
156 D A -2.4261
157 D A -1.0872
158 A A -0.0601
159 G A 0.7961
160 L A 2.3987
161 V A 2.4766
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Laboratory of Theory of Biopolymers 2018