Project name: seed15

Status: done

Started: 2026-03-03 09:24:21
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)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:14:57)
[INFO]       Main:     Simulation completed successfully.                                          (00:15:06)
Show buried residues

Minimal score value
-3.8553
Maximal score value
1.3456
Average score
-0.7464
Total score value
-483.6917

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 -1.2527
2 A A -0.9105
3 S A -0.7385
4 C A -0.5572
5 E A -1.0591
6 Y A 0.2499
7 S A -0.1459
8 A A -0.5122
9 S A -1.3913
10 H A -1.9875
11 K A -3.1205
12 Q A -2.6018
13 D A -2.4690
14 L A 0.0000
15 L A -0.0331
16 L A 0.0892
17 G A 0.0000
18 S A 0.0000
19 T A -0.6553
20 G A -0.2306
21 S A 0.1315
22 I A 0.0000
23 S A -0.1383
24 C A 0.0000
25 P A 0.0000
26 S A -0.3396
27 L A 0.0000
28 S A -0.2075
29 C A -0.1523
30 Q A -0.9549
31 S A -1.0311
32 D A -1.1684
33 A A -0.9254
34 Q A -0.9923
35 S A 0.0000
36 P A -0.7015
37 A A -0.4822
38 V A 0.0000
39 T A 0.0000
40 W A 0.0000
41 Y A 0.0000
42 K A -1.2201
43 N A -1.8268
44 G A -1.3534
45 K A -1.9632
46 L A -0.6048
47 L A 0.1301
48 S A 0.1070
49 V A 0.0000
50 E A -0.6831
51 R A -1.0298
52 S A -0.7559
53 N A 0.0000
54 R A -0.2041
55 I A 0.0000
56 V A 1.1090
57 V A 0.0000
58 D A -1.4796
59 E A -0.8744
60 V A 0.0000
61 Y A -0.2363
62 D A -0.2171
63 Y A -0.2041
64 H A -0.7683
65 Q A -1.8442
66 G A -1.4595
67 T A -1.2553
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 -0.2250
74 Q A -0.7475
75 S A -0.8351
76 D A -1.2003
77 T A -0.0573
78 V A 1.1192
79 S A 0.1714
80 S A -0.1956
81 W A 0.0112
82 T A -0.2244
83 V A -0.0801
84 R A -0.3115
85 A A 0.0000
86 V A -0.0866
87 V A 0.0000
88 Q A -2.3042
89 V A 0.0000
90 R A -2.6905
91 T A -0.9313
92 I A -0.0437
93 V A 0.4971
94 G A -0.7534
95 D A -2.3115
96 T A -2.2786
97 K A -3.3498
98 D A -3.8553
99 K A -3.2667
100 T A -1.9659
101 H A -1.7992
102 T A -0.7253
103 C A -0.0452
104 P A -0.1871
105 P A 0.0847
106 C A 0.4597
107 P A -0.2170
108 A A -0.3731
109 P A -0.8314
110 E A -1.6117
111 A A -0.8323
112 A A -0.6091
113 G A -0.9614
114 G A -0.7512
115 P A 0.0000
116 S A -0.2691
117 V A 0.0000
118 F A 0.4259
119 L A 0.0000
120 F A -0.0755
121 P A -0.2924
122 P A 0.0000
123 K A -1.0928
124 P A -0.6734
125 K A -0.6865
126 D A -0.7821
127 T A 0.0000
128 L A 0.0000
129 M A 0.2692
130 I A 1.3252
131 S A 0.1177
132 R A -1.0380
133 T A -0.4899
134 P A 0.0000
135 E A -0.9939
136 V A 0.0000
137 T A -0.3051
138 C A 0.0000
139 V A 0.0000
140 V A 0.0000
141 V A 0.0000
142 D A -0.9878
143 V A 0.0000
144 S A -2.0034
145 H A -2.4806
146 E A -2.8648
147 D A -2.3590
148 P A -2.4270
149 E A -3.0169
150 V A -1.9029
151 K A -2.2335
152 F A -1.0820
153 N A -1.1091
154 W A 0.0000
155 Y A -0.6343
156 V A -0.5960
157 D A -1.3607
158 G A -0.7685
159 V A 0.4900
160 E A -1.3012
161 V A -0.8087
162 H A -2.0064
163 N A -2.2370
164 A A -1.7842
165 K A -2.2283
166 T A -1.5129
167 K A -1.0851
168 P A -1.3227
169 R A -2.1375
170 E A -1.6554
171 E A -2.3267
172 Q A 0.0000
173 Y A -0.2309
174 N A -0.9313
175 S A -0.9499
176 T A -1.3915
177 Y A -1.4989
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 -0.6177
185 V A 0.0000
186 L A 0.8406
187 H A -0.1118
188 Q A -1.1735
189 D A -1.2721
190 W A 0.0000
191 L A -1.0079
192 N A -1.8850
193 G A -1.4584
194 K A -1.8568
195 E A -1.5739
196 Y A 0.0000
197 K A -1.1119
198 C A 0.0000
199 K A -0.9568
200 V A 0.0000
201 S A -1.3782
202 N A 0.0000
203 K A -2.5057
204 A A -1.4083
205 L A -0.7755
206 G A -0.7119
207 A A -0.4499
208 P A -0.7253
209 I A -0.4144
210 E A -0.7830
211 K A -0.5614
212 T A -0.6446
213 I A 0.0000
214 S A 0.0000
215 K A 0.0000
216 A A 0.0000
217 K A -0.4347
218 G A -1.0487
219 Q A -1.8663
220 P A -1.7074
221 R A -2.3976
222 E A -2.7801
223 P A 0.0000
224 Q A -1.2201
225 V A 0.0000
226 Y A 0.0000
227 T A -0.8041
228 L A 0.0000
229 P A -0.3942
230 P A -0.8614
231 S A 0.0000
232 R A -2.6687
233 D A -2.8094
234 E A 0.0000
235 L A -1.8258
236 T A -1.5543
237 K A -2.1027
238 N A -2.4039
239 Q A -2.1575
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 -0.6901
248 G A -1.2608
249 F A 0.0000
250 Y A -1.2321
251 P A 0.0000
252 S A -0.4546
253 D A -0.9152
254 I A -0.4187
255 A A 0.0000
256 V A 0.0000
257 E A -0.7631
258 W A 0.0000
259 E A -1.5817
260 S A 0.0000
261 N A -1.8707
262 G A -1.7410
263 Q A -2.2225
264 P A -1.7634
265 E A 0.0000
266 N A -1.8648
267 N A -1.2932
268 Y A -0.8370
269 K A -0.7559
270 T A -0.3391
271 T A 0.0000
272 P A -0.1793
273 P A -0.1688
274 V A -0.0023
275 L A -0.2208
276 D A -1.0125
277 S A -1.1886
278 D A -1.9473
279 G A -1.2173
280 S A 0.0000
281 F A 0.0000
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 -0.8040
289 V A 0.0000
290 D A -2.4096
291 K A -2.4810
292 S A -2.1695
293 R A -1.9985
294 W A 0.0000
295 Q A -2.3684
296 Q A -2.1615
297 G A -1.3155
298 N A -0.9751
299 V A 0.0100
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 -1.1705
308 A A -1.6895
309 L A 0.0000
310 H A -1.8528
311 N A -1.5042
312 H A -1.0007
313 Y A -0.5889
314 T A 0.0000
315 Q A -1.1492
316 K A -1.1356
317 S A -0.5829
318 L A 0.0000
319 S A -0.2390
320 L A -0.3876
321 S A -0.7043
322 P A -1.1083
323 G A -1.4146
324 K A -2.0289
1 N B -1.2511
2 A B -0.7466
3 S B -0.7195
4 C B -0.3167
5 E B -1.0255
6 Y B 0.4775
7 S B -0.1058
8 A B -0.4655
9 S B -1.2970
10 H B -1.9096
11 K B -2.8636
12 Q B -2.2490
13 D B -1.8732
14 L B 0.0000
15 L B 0.2435
16 L B 0.4624
17 G B 0.0000
18 S B 0.0000
19 T B -0.5682
20 G B 0.0000
21 S B 0.1539
22 I B 0.0000
23 S B -0.1372
24 C B 0.0000
25 P B 0.0000
26 S B -0.2999
27 L B 0.0000
28 S B 0.1084
29 C B 0.1368
30 Q B -0.6798
31 S B -0.9405
32 D B -1.2125
33 A B -0.9342
34 Q B -1.0825
35 S B 0.0000
36 P B -0.6243
37 A B -0.4243
38 V B 0.0000
39 T B 0.0000
40 W B 0.0000
41 Y B 0.0000
42 K B -1.0261
43 N B -1.6848
44 G B -1.2390
45 K B -1.8198
46 L B -0.3431
47 L B 0.2861
48 S B 0.1931
49 V B 0.0000
50 E B -0.6074
51 R B -0.9246
52 S B -0.7380
53 N B 0.0000
54 R B -0.2478
55 I B 0.0000
56 V B 1.1418
57 V B 0.0000
58 D B -1.5050
59 E B -0.9308
60 V B 0.0000
61 Y B 0.1071
62 D B -0.1643
63 Y B 0.2290
64 H B -0.3883
65 Q B -1.3162
66 G B -1.1908
67 T B -1.0853
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 -0.2181
74 Q B -0.7428
75 S B -0.8833
76 D B -1.3309
77 T B -0.1306
78 V B 1.0676
79 S B 0.1218
80 S B -0.2381
81 W B 0.0352
82 T B -0.3703
83 V B -0.1454
84 R B -0.5944
85 A B 0.0000
86 V B -0.0701
87 V B 0.0000
88 Q B -2.0114
89 V B 0.0000
90 R B -2.2157
91 T B -0.4590
92 I B 0.5449
93 V B 0.9287
94 G B -0.6250
95 D B -2.2174
96 T B -2.1961
97 K B -3.2366
98 D B -3.6514
99 K B -3.1682
100 T B -1.9044
101 H B -1.8009
102 T B -0.8409
103 C B -0.1897
104 P B -0.4229
105 P B 0.0313
106 C B 0.4951
107 P B -0.5005
108 A B -0.5408
109 P B -1.0403
110 E B -2.0057
111 A B -1.0165
112 A B -0.7120
113 G B -1.0269
114 G B -0.8474
115 P B 0.0000
116 S B 0.0000
117 V B 0.0000
118 F B 0.2195
119 L B -0.0437
120 F B 0.0000
121 P B 0.0000
122 P B 0.0000
123 K B -0.9228
124 P B 0.0000
125 K B -0.6661
126 D B -0.7410
127 T B 0.0000
128 L B 0.0000
129 M B 0.3171
130 I B 1.3456
131 S B 0.1540
132 R B -0.9333
133 T B -0.4700
134 P B 0.0000
135 E B -1.0057
136 V B 0.0000
137 T B -0.2703
138 C B 0.0000
139 V B 0.0000
140 V B 0.0000
141 V B 0.0000
142 D B -1.0218
143 V B 0.0000
144 S B -1.8854
145 H B -2.5476
146 E B -2.9715
147 D B -2.5795
148 P B -2.6097
149 E B -3.1143
150 V B -1.9842
151 K B -2.2372
152 F B -1.3468
153 N B -1.2635
154 W B 0.0000
155 Y B -0.9175
156 V B -0.9952
157 D B -2.1190
158 G B -1.0398
159 V B 0.2261
160 E B -1.4461
161 V B -0.8226
162 H B -2.0084
163 N B -2.2114
164 A B -1.7486
165 K B -2.2063
166 T B -1.6009
167 K B -1.3198
168 P B -1.6067
169 R B -2.6032
170 E B -1.9338
171 E B -2.3501
172 Q B 0.0000
173 Y B -0.3189
174 N B -1.0240
175 S B -0.9721
176 T B -1.4732
177 Y B -1.6426
178 R B 0.0000
179 V B 0.0000
180 V B 0.0000
181 S B 0.0000
182 V B -0.8479
183 L B 0.0000
184 T B -0.6010
185 V B 0.0000
186 L B 0.8568
187 H B -0.0643
188 Q B -1.0770
189 D B -1.0515
190 W B 0.0000
191 L B -0.9444
192 N B -1.7941
193 G B -1.4014
194 K B -1.9496
195 E B -1.8244
196 Y B 0.0000
197 K B -1.6478
198 C B 0.0000
199 K B -1.4356
200 V B 0.0000
201 S B -1.4653
202 N B 0.0000
203 K B -2.5605
204 A B -1.4668
205 L B -0.6259
206 G B -0.6979
207 A B -0.5031
208 P B -0.8722
209 I B -0.8633
210 E B -1.8565
211 K B -1.3053
212 T B -1.1573
213 I B 0.0000
214 S B 0.0000
215 K B 0.0000
216 A B 0.0000
217 K B -0.0399
218 G B -0.7731
219 Q B -1.7864
220 P B -1.6615
221 R B -2.3400
222 E B -2.7493
223 P B 0.0000
224 Q B -1.3025
225 V B 0.0000
226 Y B 0.0000
227 T B -0.7799
228 L B 0.0000
229 P B -0.3977
230 P B -0.8783
231 S B -1.5349
232 R B -2.6735
233 D B -2.7925
234 E B 0.0000
235 L B -1.7913
236 T B -1.5394
237 K B -2.0567
238 N B -2.3614
239 Q B -2.1404
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 -0.7317
248 G B -1.3036
249 F B 0.0000
250 Y B 0.0000
251 P B 0.0000
252 S B -0.6835
253 D B -0.9204
254 I B 0.0000
255 A B 0.0000
256 V B 0.0000
257 E B -0.7911
258 W B 0.0000
259 E B -1.5856
260 S B 0.0000
261 N B -1.8678
262 G B -1.7436
263 Q B -2.2293
264 P B -1.7829
265 E B 0.0000
266 N B -1.9288
267 N B -1.4095
268 Y B -0.9674
269 K B -0.9153
270 T B -0.4100
271 T B 0.0000
272 P B -0.2804
273 P B -0.1848
274 V B 0.0399
275 L B -0.0594
276 D B -1.0113
277 S B -1.2242
278 D B -2.0985
279 G B -1.2487
280 S B 0.0000
281 F B 0.0000
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 -0.8274
289 V B 0.0000
290 D B -2.2019
291 K B -2.3878
292 S B -2.1383
293 R B -1.9578
294 W B 0.0000
295 Q B -2.3411
296 Q B -2.1648
297 G B -1.3098
298 N B -0.9648
299 V B 0.0395
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 -1.1402
308 A B -1.6043
309 L B -1.4426
310 H B -1.7476
311 N B -1.4169
312 H B -0.8969
313 Y B -0.3964
314 T B -0.6809
315 Q B -1.0061
316 K B -1.0516
317 S B -0.5346
318 L B 0.0000
319 S B -0.2293
320 L B -0.3898
321 S B -0.7127
322 P B -1.1134
323 G B -1.4172
324 K B -2.0305
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Laboratory of Theory of Biopolymers 2018