Project name: 92c6e5be88e76d7

Status: done

Started: 2026-04-15 07:50:00
Settings
Chain sequence(s) A: GNTGAPGSPGVSGPKGDAGQPGEKGSPGAQGPPGAPGPLGIAGITGARGLAGPPGMPGPRGSPGPQGVKGESGKPGANGLSGERGPPGPQGLPGLAGTAGEPGRDGNPGSDGLPGRDGSPGGKGDRGENGSPGAPGAPGHPGPPGPVGPAGKSGDRGESGPAGPAGAPGPAGSRGAPGPQGPRGDKGETGERGAAGIKGHRGFPGNPGAPGSPGPAGQQGAIGSPGPA
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                                          (00:00:48)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:49)
Show buried residues

Minimal score value
-4.0149
Maximal score value
2.0815
Average score
-1.2572
Total score value
-286.6425

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
11 G A -1.1670
12 N A -1.6424
13 T A -1.0498
14 G A -0.9809
15 A A -0.6046
16 P A -0.6615
17 G A -0.8733
18 S A -0.5337
19 P A -0.3774
20 G A 0.0569
21 V A 1.2129
22 S A -0.0138
23 G A -0.7579
24 P A -1.5125
25 K A -2.6774
26 G A -2.6689
27 D A -2.7004
28 A A -1.6539
29 G A -1.5982
30 Q A -2.0451
31 P A -1.7720
32 G A -2.2548
33 E A -3.1972
34 K A -3.0230
35 G A -1.9685
36 S A -1.2320
37 P A -0.9920
38 G A -0.9273
39 A A -0.9255
40 Q A -1.6091
41 G A -1.2074
42 P A -0.9449
43 P A -0.8283
44 G A -0.6572
45 A A -0.4459
46 P A -0.6330
47 G A -0.4275
48 P A 0.1303
49 L A 1.5705
50 G A 1.2201
51 I A 2.0815
52 A A 1.1169
53 G A 0.9249
54 I A 1.6719
55 T A 0.5851
56 G A -0.4603
57 A A -1.2848
58 R A -1.8073
59 G A -0.4368
60 L A 0.8406
61 A A 0.4159
62 G A -0.3502
63 P A -0.7073
64 P A -0.4666
65 G A -0.1984
66 M A 0.5245
67 P A -0.0410
68 G A -0.8890
69 P A -1.5303
70 R A -2.3222
71 G A -1.6593
72 S A -1.1364
73 P A -0.9293
74 G A -1.1081
75 P A -1.2327
76 Q A -1.2850
77 G A -0.6585
78 V A 0.3387
79 K A -1.5542
80 G A -1.9797
81 E A -2.8393
82 S A -2.0343
83 G A -1.8366
84 K A -2.4088
85 P A -1.5388
86 G A -1.1928
87 A A -0.9681
88 N A -1.2722
89 G A -0.4471
90 L A 0.5787
91 S A -0.3698
92 G A -1.5722
93 E A -2.9459
94 R A -3.1822
95 G A -2.1318
96 P A -1.3964
97 P A -1.2331
98 G A -1.2240
99 P A -1.0681
100 Q A -1.2990
101 G A -0.5710
102 L A 0.9353
103 P A 0.4323
104 G A 0.4540
105 L A 1.3777
106 A A 0.4060
107 G A -0.1549
108 T A -0.4487
109 A A -0.8533
110 G A -1.5834
111 E A -2.6618
112 P A -2.3381
113 G A -2.7125
114 R A -3.6960
115 D A -3.4736
116 G A -2.7288
117 N A -2.5626
118 P A -1.9078
119 G A -1.6858
120 S A -1.4741
121 D A -1.9311
122 G A -0.8543
123 L A 0.2620
124 P A -0.9655
125 G A -1.6926
126 R A -2.9111
127 D A -3.1761
128 G A -2.1680
129 S A -1.4423
130 P A -1.3990
131 G A -1.4836
132 G A -1.9575
133 K A -3.0871
134 G A -2.8694
135 D A -3.7694
136 R A -4.0149
137 G A -3.1318
138 E A -3.5070
139 N A -2.9257
140 G A -1.8790
141 S A -1.1909
142 P A -0.9438
143 G A -0.8271
144 A A -0.4971
145 P A -0.6411
146 G A -0.7724
147 A A -0.6219
148 P A -0.9068
149 G A -1.2866
150 H A -1.5583
151 P A -1.2241
152 G A -1.2002
153 P A -0.9665
154 P A -0.5064
155 G A -0.4374
156 P A 0.1255
157 V A 1.1932
158 G A 0.0958
159 P A -0.3929
160 A A -0.6606
161 G A -1.9922
162 K A -2.4688
163 S A -2.3666
164 G A -2.4744
165 D A -3.5241
166 R A -3.5352
167 G A -2.8646
168 E A -2.9371
169 S A -1.7594
170 G A -1.2293
171 P A -0.8707
172 A A -0.4952
173 G A -0.7114
174 P A -0.5753
175 A A -0.4162
176 G A -0.6361
177 A A -0.4449
178 P A -0.6050
179 G A -0.7914
180 P A -0.6391
181 A A -0.7207
182 G A -1.3897
183 S A -1.4580
184 R A -2.3577
185 G A -1.6632
186 A A -0.8831
187 P A -1.1283
188 G A -1.3236
189 P A -1.3274
190 Q A -2.1435
191 G A -2.0133
192 P A -2.1343
193 R A -3.2926
194 G A -3.2011
195 D A -3.7915
196 K A -3.7456
197 G A -2.7934
198 E A -3.2002
199 T A -2.6051
200 G A -3.0894
201 E A -3.4125
202 R A -3.2579
203 G A -1.9837
204 A A -0.8474
205 A A -0.2577
206 G A -0.2483
207 I A 0.4151
208 K A -1.9970
209 G A -2.6222
210 H A -2.1681
211 R A -2.5726
212 G A -1.3003
213 F A 0.5621
214 P A -0.6439
215 G A -1.4926
216 N A -1.5527
217 P A -1.5762
218 G A -1.5405
219 A A -0.7644
220 P A -0.8942
221 G A -1.2241
222 S A -0.8259
223 P A -0.8809
224 G A -1.0454
225 P A -0.8295
226 A A -1.1774
227 G A -1.8814
228 Q A -2.1425
229 Q A -1.8474
230 G A -0.9999
231 A A 0.2087
232 I A 1.4324
233 G A 0.2430
234 S A -0.2079
235 P A -0.4847
236 G A -0.8104
237 P A -0.5383
238 A A -0.2143
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Laboratory of Theory of Biopolymers 2018