Project name: 6ce2c9aae56c4f7

Status: done

Started: 2026-06-18 07:09:43
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Chain sequence(s) A: GEPPPGKPADDAGLVSRHWKRGFILKRGEPPPGKPADDAGLVSRHWKRGFILKRGEPPPGKPADDAGLVSRHWKRGFILKRGEPPPGKPADDAGLVSRHWKRGFILKRGEPPPGKPADDAGLVSRHWKRGFILKRGEPPPGKPADDAGLVSRHWKRGFILKRGEPPPGKPADDAGLVSRHWKRGFILKRGEPPPGKPADDAGLVSRHWKRGFILKRGEPPPGKPADDAGLV
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:11:14)
[INFO]       Main:     Simulation completed successfully.                                          (00:11:16)
Show buried residues

Minimal score value
-4.1653
Maximal score value
2.4117
Average score
-1.4487
Total score value
-334.642

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 G A -1.4334
2 E A -2.2572
3 P A -1.5034
4 P A -1.3254
5 P A -1.3369
6 G A -1.5525
7 K A -2.3725
8 P A -1.9158
9 A A -1.8965
10 D A -2.9429
11 D A -2.7544
12 A A -0.9661
13 G A -0.0276
14 L A 1.6633
15 V A 1.9457
16 S A -0.0481
17 R A -1.7203
18 H A -1.7987
19 W A -1.2792
20 K A -2.4031
21 R A -2.4157
22 G A -0.5022
23 F A 1.5420
24 I A 0.8735
25 L A 0.0774
26 K A -2.2393
27 R A -3.4202
28 G A -3.2237
29 E A -3.1223
30 P A -1.6843
31 P A -1.4965
32 P A -1.4500
33 G A -1.5448
34 K A -2.4188
35 P A -1.8828
36 A A -1.7982
37 D A -3.1856
38 D A -2.6449
39 A A -1.4763
40 G A -0.4193
41 L A 0.9331
42 V A 1.1137
43 S A -0.2075
44 R A -1.4246
45 H A -1.6456
46 W A -1.5436
47 K A -1.8563
48 R A -2.1561
49 G A -0.6526
50 F A 0.9644
51 I A 0.0000
52 L A -0.4208
53 K A -2.5983
54 R A -3.7960
55 G A -3.3027
56 E A -3.1463
57 P A -1.8690
58 P A -1.5075
59 P A -1.4745
60 G A -1.8711
61 K A -2.6897
62 P A -2.0174
63 A A -2.1541
64 D A -3.0495
65 D A -2.4454
66 A A -1.1475
67 G A -0.3611
68 L A 0.2999
69 V A 0.6671
70 S A -0.3333
71 R A -1.2933
72 H A -1.1050
73 W A -0.8734
74 K A -1.2535
75 R A -1.6353
76 G A -0.5312
77 F A 0.8589
78 I A 0.0000
79 L A -0.6232
80 K A -2.5908
81 R A -3.8413
82 G A -3.2594
83 E A -2.9626
84 P A -1.6635
85 P A -1.5211
86 P A -1.6198
87 G A -2.2278
88 K A -2.9013
89 P A -2.4399
90 A A -2.5732
91 D A -3.1251
92 D A -2.2507
93 A A -1.1949
94 G A -0.4321
95 L A 0.5053
96 V A 0.8341
97 S A -0.0744
98 R A -1.0086
99 H A -1.0462
100 W A -0.6510
101 K A -1.3633
102 R A -1.9294
103 G A -0.3247
104 F A 1.0583
105 I A 0.0000
106 L A -0.6501
107 K A -2.6400
108 R A -4.0041
109 G A -3.2687
110 E A -2.7669
111 P A -1.4398
112 P A -1.3198
113 P A -1.5559
114 G A -2.1510
115 K A -2.7564
116 P A -2.2692
117 A A -2.4668
118 D A -3.1315
119 D A -2.3337
120 A A -1.2008
121 G A -0.3550
122 L A 0.5235
123 V A 0.9617
124 S A -0.0077
125 R A -1.0097
126 H A -1.1399
127 W A -1.1289
128 K A -2.0055
129 R A -2.1900
130 G A -0.6758
131 F A 0.9205
132 I A 0.7222
133 L A -0.4497
134 K A -2.7569
135 R A -4.1653
136 G A -3.6592
137 E A -3.2893
138 P A -1.5141
139 P A -1.5722
140 P A -1.4934
141 G A -2.0041
142 K A -2.9451
143 P A -2.2415
144 A A -2.4950
145 D A -3.2560
146 D A -2.2994
147 A A -1.3222
148 G A -0.4447
149 L A 0.5180
150 V A 0.9860
151 S A 0.0465
152 R A -0.8887
153 H A -1.2823
154 W A -1.5294
155 K A -2.5912
156 R A -2.8841
157 G A -1.1708
158 F A 0.6052
159 I A 0.7357
160 L A -0.1693
161 K A -2.5234
162 R A -4.0792
163 G A -3.7548
164 E A -3.9637
165 P A -1.8683
166 P A -1.5995
167 P A -1.4953
168 G A -1.9311
169 K A -2.5908
170 P A -2.2487
171 A A -2.4266
172 D A -3.1671
173 D A -2.6346
174 A A -1.4643
175 G A -0.2105
176 L A 0.7103
177 V A 1.1133
178 S A 0.0554
179 R A -0.9170
180 H A -1.6703
181 W A -1.9558
182 K A -3.2933
183 R A -3.6225
184 G A -1.6420
185 F A 0.8148
186 I A 0.9587
187 L A 0.0381
188 K A -2.3985
189 R A -3.3634
190 G A -3.1512
191 E A -2.8737
192 P A -1.4003
193 P A -1.0651
194 P A -1.2942
195 G A -1.7698
196 K A -2.1119
197 P A -2.0135
198 A A -2.0450
199 D A -2.6955
200 D A -3.0006
201 A A -1.4342
202 G A -0.5183
203 L A 0.9698
204 V A 1.5898
205 S A -0.0522
206 R A -1.7616
207 H A -2.0032
208 W A -1.5112
209 K A -3.0687
210 R A -3.0155
211 G A -0.9285
212 F A 1.6412
213 I A 1.6229
214 L A 0.6186
215 K A -2.4403
216 R A -3.3025
217 G A -2.8207
218 E A -2.9808
219 P A -1.7710
220 P A -1.3767
221 P A -1.3851
222 G A -1.5573
223 K A -2.4145
224 P A -1.9767
225 A A -1.9934
226 D A -3.0301
227 D A -2.5395
228 A A -1.0932
229 G A 0.0928
230 L A 1.9178
231 V A 2.4117
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Laboratory of Theory of Biopolymers 2018