Project name: seed14

Status: done

Started: 2026-03-03 09:23:43
Settings
Chain sequence(s) A: NASCEYSASHKQDLLLGSTGSISCPSLSCQSDAQSPAVTWYKNGKLLSVERSNRIVVDEVYDYHQGTYVCDYTQSDTVSSWTVRAVVQVRTIVGDTKDKTHTCPPCPAPEAAGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALGAPIEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK
B: NASCEYSASHKQDLLLGSTGSISCPSLSCQSDAQSPAVTWYKNGKLLSVERSNRIVVDEVYDYHQGTYVCDYTQSDTVSSWTVRAVVQVRTIVGDTKDKTHTCPPCPAPEAAGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALGAPIEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK
input PDB
Selected Chain(s) A,B
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 all 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                                          (00:15:57)
[INFO]       Main:     Simulation completed successfully.                                          (00:16:06)
Show buried residues

Minimal score value
-4.0015
Maximal score value
1.3437
Average score
-0.6997
Total score value
-453.4351

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 N A -1.2081
2 A A -0.6956
3 S A -0.5665
4 C A -0.0407
5 E A -0.6705
6 Y A 0.9449
7 S A 0.4129
8 A A 0.2951
9 S A -0.1699
10 H A 0.0000
11 K A -1.2002
12 Q A -1.3727
13 D A -1.4436
14 L A 0.0000
15 L A 0.6299
16 L A 0.5826
17 G A -0.0458
18 S A -0.0783
19 T A -0.2590
20 G A -0.0115
21 S A 0.0407
22 I A 0.0000
23 S A -0.2694
24 C A 0.0000
25 P A 0.0000
26 S A -0.1737
27 L A 0.0000
28 S A -0.1777
29 C A 0.2142
30 Q A -0.9495
31 S A -1.1773
32 D A -1.9479
33 A A -1.4141
34 Q A -1.9571
35 S A -1.8354
36 P A -1.3041
37 A A -0.9253
38 V A 0.0000
39 T A 0.2666
40 W A 0.0000
41 Y A 0.3871
42 K A -0.2666
43 N A -0.5318
44 G A -0.3646
45 K A -0.2906
46 L A 0.7268
47 L A 0.9101
48 S A 0.7038
49 V A 0.4712
50 E A -0.8688
51 R A -2.3187
52 S A -1.6966
53 N A 0.0000
54 R A -1.0556
55 I A 0.0000
56 V A 0.8378
57 V A 0.0000
58 D A -0.9181
59 E A 0.0000
60 V A 0.0000
61 Y A 0.0000
62 D A -0.2534
63 Y A -0.5101
64 H A -0.8090
65 Q A -1.5192
66 G A -0.9777
67 T A -0.6214
68 Y A 0.0000
69 V A 0.0000
70 C A 0.0000
71 D A 0.0000
72 Y A 0.0000
73 T A -0.3973
74 Q A -1.2404
75 S A -1.1782
76 D A -1.4649
77 T A -0.1378
78 V A 1.0615
79 S A -0.0277
80 S A -0.4866
81 W A -0.1875
82 T A -0.0640
83 V A 0.0671
84 R A 0.0000
85 A A 0.0000
86 V A 0.0000
87 V A 0.0000
88 Q A -1.2012
89 V A 0.0000
90 R A -2.0984
91 T A -0.5194
92 I A 0.3486
93 V A 0.6985
94 G A -0.5310
95 D A -2.2826
96 T A -2.4993
97 K A -3.7941
98 D A -4.0015
99 K A -3.3001
100 T A -2.0192
101 H A -1.9354
102 T A -0.7394
103 C A -0.2495
104 P A -0.2883
105 P A 0.1114
106 C A 0.5176
107 P A -0.3090
108 A A -0.5469
109 P A -1.0681
110 E A -1.9575
111 A A -1.0651
112 A A -0.9749
113 G A -0.8466
114 G A -0.7886
115 P A 0.0000
116 S A -0.4316
117 V A 0.0000
118 F A 0.0568
119 L A 0.0000
120 F A 0.0000
121 P A -0.3616
122 P A 0.0000
123 K A -1.3648
124 P A -1.0740
125 K A -1.3883
126 D A -1.1661
127 T A 0.0000
128 L A 0.0000
129 M A 0.0544
130 I A 1.1552
131 S A 0.0107
132 R A -1.3508
133 T A -0.6169
134 P A 0.0000
135 E A -0.6234
136 V A 0.0000
137 T A 0.0000
138 C A 0.0000
139 V A 0.0000
140 V A 0.0000
141 V A 0.0000
142 D A -0.8576
143 V A 0.0000
144 S A -2.1545
145 H A -2.6193
146 E A -3.0279
147 D A -2.7001
148 P A -2.6520
149 E A -3.1514
150 V A -1.9669
151 K A -2.2240
152 F A -1.1692
153 N A -1.0871
154 W A 0.0000
155 Y A -0.5609
156 V A -0.6971
157 D A -1.9134
158 G A -0.7851
159 V A 0.6243
160 E A -0.6905
161 V A -0.5516
162 H A -1.8741
163 N A -2.1611
164 A A -1.7678
165 K A -2.2835
166 T A -1.8016
167 K A -1.9329
168 P A -2.0376
169 R A -2.9717
170 E A -2.6720
171 E A -2.6930
172 Q A 0.0000
173 Y A 0.5206
174 N A -0.2980
175 S A -0.6723
176 T A -1.3752
177 Y A 0.0000
178 R A 0.0000
179 V A 0.0000
180 V A 0.0000
181 S A 0.0000
182 V A 0.0000
183 L A 0.0000
184 T A -0.4316
185 V A 0.0000
186 L A 0.8101
187 H A -0.1268
188 Q A -1.1304
189 D A -1.2347
190 W A 0.0000
191 L A -1.0371
192 N A -1.8675
193 G A -1.7248
194 K A -1.8060
195 E A -1.5261
196 Y A 0.0000
197 K A -1.2841
198 C A 0.0000
199 K A -1.3398
200 V A 0.0000
201 S A -1.4925
202 N A 0.0000
203 K A -2.6060
204 A A -1.4695
205 L A -0.8443
206 G A -0.7994
207 A A -0.5754
208 P A -0.9478
209 I A -0.9163
210 E A -1.4125
211 K A -0.7400
212 T A 0.0000
213 I A 0.0000
214 S A 0.0000
215 K A 0.0000
216 A A -1.1287
217 K A -1.7729
218 G A -1.7839
219 Q A -1.9874
220 P A -1.6701
221 R A -1.9910
222 E A -2.5534
223 P A 0.0000
224 Q A -1.1703
225 V A 0.0000
226 Y A 0.0000
227 T A -0.7749
228 L A 0.0000
229 P A -0.3984
230 P A -0.8686
231 S A 0.0000
232 R A -2.6651
233 D A -2.8210
234 E A 0.0000
235 L A -1.8100
236 T A -1.6021
237 K A -2.1891
238 N A -2.4144
239 Q A -2.1567
240 V A 0.0000
241 S A 0.0000
242 L A 0.0000
243 T A 0.0000
244 C A 0.0000
245 L A 0.0000
246 V A 0.0000
247 K A -0.6051
248 G A -1.0916
249 F A 0.0000
250 Y A 0.0000
251 P A 0.0000
252 S A -0.3073
253 D A -0.8712
254 I A -0.4853
255 A A -0.5542
256 V A 0.0000
257 E A -1.1310
258 W A 0.0000
259 E A -1.7586
260 S A 0.0000
261 N A -1.8808
262 G A -1.7684
263 Q A -2.2592
264 P A -1.8959
265 E A 0.0000
266 N A -1.9801
267 N A -1.3366
268 Y A -0.7976
269 K A -0.4240
270 T A -0.0655
271 T A 0.0000
272 P A 0.2534
273 P A -0.0108
274 V A 0.0000
275 L A 0.0050
276 D A -0.7807
277 S A -1.3680
278 D A -1.9608
279 G A -1.0184
280 S A 0.0000
281 F A -0.2436
282 F A 0.0000
283 L A 0.0000
284 Y A 0.0000
285 S A 0.0000
286 K A 0.0000
287 L A 0.0000
288 T A -0.7549
289 V A 0.0000
290 D A -2.1716
291 K A -2.3507
292 S A -2.0575
293 R A -1.8707
294 W A 0.0000
295 Q A -2.1547
296 Q A -2.0584
297 G A -1.2168
298 N A -0.8683
299 V A 0.0445
300 F A 0.0000
301 S A 0.0000
302 C A 0.0000
303 S A 0.0000
304 V A 0.0000
305 M A 0.0000
306 H A 0.0000
307 E A -1.0791
308 A A -1.4807
309 L A -1.3558
310 H A -1.7259
311 N A -1.4082
312 H A -0.9175
313 Y A -0.3109
314 T A -0.5873
315 Q A -0.9333
316 K A -0.9892
317 S A -0.5151
318 L A 0.0000
319 S A -0.2003
320 L A -0.3534
321 S A -0.6999
322 P A -1.1022
323 G A -1.4225
324 K A -2.0320
1 N B -1.2108
2 A B -0.6943
3 S B -0.5638
4 C B 0.0086
5 E B -0.6534
6 Y B 0.9769
7 S B 0.4856
8 A B 0.3515
9 S B 0.0000
10 H B 0.0000
11 K B -1.1148
12 Q B -1.2752
13 D B -1.3026
14 L B 0.0000
15 L B 0.6285
16 L B 0.6050
17 G B -0.1172
18 S B -0.1661
19 T B -0.3436
20 G B -0.0607
21 S B 0.0199
22 I B 0.0000
23 S B -0.2378
24 C B 0.0000
25 P B 0.0000
26 S B -0.1385
27 L B 0.0000
28 S B -0.0528
29 C B 0.4070
30 Q B -0.7151
31 S B -1.0645
32 D B -1.9177
33 A B -1.3938
34 Q B -1.9138
35 S B -1.7396
36 P B -1.1952
37 A B -0.8728
38 V B 0.0000
39 T B 0.0000
40 W B 0.0000
41 Y B 0.5403
42 K B -0.1539
43 N B -0.4788
44 G B -0.3183
45 K B -0.2200
46 L B 1.1589
47 L B 1.2418
48 S B 0.9366
49 V B 0.6124
50 E B -0.8532
51 R B -2.3331
52 S B -1.6792
53 N B 0.0000
54 R B -1.0533
55 I B 0.0000
56 V B 0.8225
57 V B 0.0000
58 D B -1.1595
59 E B 0.0000
60 V B 0.0000
61 Y B 0.1291
62 D B -0.1452
63 Y B -0.3957
64 H B -0.6206
65 Q B -1.1928
66 G B -0.7882
67 T B -0.5104
68 Y B 0.0000
69 V B 0.0000
70 C B 0.0000
71 D B 0.0000
72 Y B 0.0000
73 T B -0.2056
74 Q B -0.8264
75 S B -0.9666
76 D B -1.3760
77 T B -0.1413
78 V B 1.0636
79 S B 0.0604
80 S B -0.3140
81 W B 0.0235
82 T B 0.0734
83 V B 0.0927
84 R B -0.0629
85 A B 0.0000
86 V B 0.0000
87 V B 0.0000
88 Q B -1.0804
89 V B 0.0000
90 R B -1.5255
91 T B -0.2647
92 I B 0.4296
93 V B 0.4678
94 G B -0.6681
95 D B -2.3119
96 T B -2.5866
97 K B -3.8030
98 D B -3.9514
99 K B -3.3221
100 T B -2.0415
101 H B -2.0355
102 T B -0.7663
103 C B -0.5213
104 P B -0.2523
105 P B 0.1540
106 C B 0.5381
107 P B -0.2959
108 A B -0.5717
109 P B -1.0747
110 E B -2.0329
111 A B -1.1196
112 A B -0.9977
113 G B -0.8267
114 G B -0.7977
115 P B 0.0000
116 S B -0.3704
117 V B 0.0000
118 F B 0.0850
119 L B 0.0000
120 F B 0.0000
121 P B -0.2626
122 P B 0.0000
123 K B -0.7800
124 P B -0.6474
125 K B -0.7451
126 D B 0.0000
127 T B 0.0000
128 L B 0.0000
129 M B 0.3143
130 I B 1.3437
131 S B 0.1418
132 R B -0.9728
133 T B -0.3402
134 P B 0.0000
135 E B -0.4707
136 V B 0.0000
137 T B 0.0000
138 C B 0.0000
139 V B 0.0000
140 V B 0.0000
141 V B 0.0000
142 D B 0.0000
143 V B 0.0000
144 S B -2.0323
145 H B -2.5316
146 E B -2.9911
147 D B -2.6176
148 P B -2.5280
149 E B -3.0950
150 V B -1.9246
151 K B -2.2489
152 F B -1.1329
153 N B -1.0764
154 W B 0.0000
155 Y B -0.4326
156 V B -0.5520
157 D B -1.5613
158 G B -0.6056
159 V B 0.7443
160 E B -0.6279
161 V B -0.5431
162 H B -1.8410
163 N B -2.1054
164 A B -1.6452
165 K B -2.0335
166 T B -1.6119
167 K B -1.6561
168 P B -1.7635
169 R B -2.5677
170 E B -2.1956
171 E B -2.4433
172 Q B -0.7535
173 Y B 0.5367
174 N B -0.2826
175 S B -0.6326
176 T B -1.2297
177 Y B -1.5720
178 R B 0.0000
179 V B 0.0000
180 V B 0.0000
181 S B 0.0000
182 V B 0.0000
183 L B 0.0000
184 T B -0.3481
185 V B 0.0000
186 L B 0.9209
187 H B -0.0192
188 Q B -1.1737
189 D B -1.3668
190 W B 0.0000
191 L B -1.0901
192 N B -1.9423
193 G B -1.7671
194 K B -1.8045
195 E B -1.4628
196 Y B 0.0000
197 K B -1.1813
198 C B 0.0000
199 K B -1.2475
200 V B 0.0000
201 S B -1.4716
202 N B 0.0000
203 K B -2.5925
204 A B -1.4802
205 L B -0.9046
206 G B -0.9485
207 A B -0.5742
208 P B -0.8624
209 I B -0.7151
210 E B -0.9956
211 K B -0.5787
212 T B 0.0000
213 I B 0.0000
214 S B 0.0000
215 K B 0.0000
216 A B -1.1946
217 K B -1.9012
218 G B -1.8618
219 Q B -2.0028
220 P B -1.6841
221 R B -2.0098
222 E B -2.5793
223 P B 0.0000
224 Q B -1.2655
225 V B 0.0000
226 Y B 0.0000
227 T B -0.7848
228 L B 0.0000
229 P B -0.3898
230 P B -0.8609
231 S B 0.0000
232 R B -2.6528
233 D B -2.7948
234 E B 0.0000
235 L B -1.7950
236 T B -1.5814
237 K B -2.1723
238 N B -2.4336
239 Q B -2.2267
240 V B 0.0000
241 S B 0.0000
242 L B 0.0000
243 T B 0.0000
244 C B 0.0000
245 L B 0.0000
246 V B 0.0000
247 K B -0.6056
248 G B -1.1096
249 F B 0.0000
250 Y B 0.0000
251 P B 0.0000
252 S B -0.2678
253 D B -0.7757
254 I B -0.3915
255 A B 0.0000
256 V B 0.0000
257 E B -1.4436
258 W B 0.0000
259 E B -1.8272
260 S B 0.0000
261 N B -1.8737
262 G B -1.7670
263 Q B -2.2595
264 P B -1.9498
265 E B 0.0000
266 N B -2.0133
267 N B -1.3026
268 Y B -0.7022
269 K B -0.4534
270 T B -0.1208
271 T B 0.0000
272 P B 0.2319
273 P B 0.0919
274 V B 0.3973
275 L B 0.2590
276 D B -0.6890
277 S B -1.3236
278 D B -1.9526
279 G B -1.0107
280 S B 0.0000
281 F B -0.1584
282 F B 0.0000
283 L B 0.0000
284 Y B 0.0000
285 S B 0.0000
286 K B 0.0000
287 L B 0.0000
288 T B -0.7607
289 V B 0.0000
290 D B -2.2955
291 K B -2.4634
292 S B -2.1897
293 R B -2.0350
294 W B 0.0000
295 Q B -2.3486
296 Q B -2.1651
297 G B -1.2785
298 N B -0.8907
299 V B 0.0609
300 F B 0.0000
301 S B 0.0000
302 C B 0.0000
303 S B 0.0000
304 V B 0.0000
305 M B 0.0000
306 H B 0.0000
307 E B -1.0426
308 A B -1.4817
309 L B -1.3620
310 H B -1.7212
311 N B -1.4041
312 H B -0.8652
313 Y B -0.2887
314 T B -0.5911
315 Q B -0.9779
316 K B -1.0242
317 S B -0.5307
318 L B 0.0000
319 S B -0.2047
320 L B -0.3595
321 S B -0.6943
322 P B -1.1004
323 G B -1.4166
324 K B -2.0302
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Laboratory of Theory of Biopolymers 2018