Project name: seed12

Status: done

Started: 2026-03-03 09:19:43
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                                          (00:13:03)
[INFO]       Main:     Simulation completed successfully.                                          (00:13:12)
Show buried residues

Minimal score value
-3.9683
Maximal score value
1.9378
Average score
-0.7174
Total score value
-464.8858

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 -1.1906
2 A A -0.6788
3 S A -0.5479
4 C A -0.1411
5 E A -0.9162
6 Y A 0.5214
7 S A -0.0574
8 A A -0.3641
9 S A -0.5850
10 H A -1.1815
11 K A -1.5208
12 Q A -1.2599
13 D A -0.9196
14 L A 0.0000
15 L A 0.7001
16 L A 0.8875
17 G A -0.1719
18 S A -0.2582
19 T A -0.4549
20 G A -0.1276
21 S A -0.0960
22 I A 0.0000
23 S A -0.5174
24 C A 0.0000
25 P A -0.3883
26 S A -0.2607
27 L A 0.0000
28 S A -0.4269
29 C A -0.4764
30 Q A -1.3890
31 S A -1.3052
32 D A -1.7653
33 A A -1.5555
34 Q A -1.9008
35 S A 0.0000
36 P A -0.9020
37 A A -0.3955
38 V A 0.0000
39 T A 0.0000
40 W A 0.0000
41 Y A 0.0000
42 K A -0.5655
43 N A -0.6201
44 G A -0.5044
45 K A -0.7361
46 L A 0.4375
47 L A 0.7385
48 S A 0.6145
49 V A 0.6916
50 E A 0.0000
51 R A -0.7910
52 S A -0.8673
53 N A -0.9897
54 R A -0.7750
55 I A 0.2224
56 V A 0.5155
57 V A 0.0000
58 D A -0.9070
59 E A -0.6353
60 V A 0.0000
61 Y A 0.0113
62 D A -0.2327
63 Y A -0.6159
64 H A -0.7962
65 Q A -1.3536
66 G A -0.8542
67 T A 0.0000
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 -0.2568
74 Q A -0.9610
75 S A -1.0287
76 D A -1.4271
77 T A -0.1355
78 V A 1.0703
79 S A 0.0223
80 S A -0.3212
81 W A -0.1068
82 T A -0.0208
83 V A 0.0888
84 R A -0.1318
85 A A 0.0000
86 V A 0.0000
87 V A 0.0000
88 Q A -1.1538
89 V A 0.0000
90 R A -1.2768
91 T A -0.0844
92 I A 0.8559
93 V A 1.4707
94 G A -0.3815
95 D A -2.4928
96 T A -2.4956
97 K A -3.7291
98 D A -3.9683
99 K A -3.5851
100 T A -2.0450
101 H A -1.6213
102 T A -1.3261
103 C A 0.3012
104 P A -0.0225
105 P A 0.1214
106 C A 0.5197
107 P A -0.4119
108 A A -0.6843
109 P A -1.1475
110 E A -2.1923
111 A A -1.1889
112 A A -1.0849
113 G A -1.1928
114 G A -0.9661
115 P A 0.0000
116 S A -0.4615
117 V A 0.0000
118 F A -0.2917
119 L A 0.0000
120 F A 0.0000
121 P A -0.1941
122 P A 0.0000
123 K A 0.0000
124 P A -0.3047
125 K A -0.0130
126 D A 0.0000
127 T A 0.0000
128 L A 0.0000
129 M A 0.8463
130 I A 1.8139
131 S A 0.8272
132 R A 0.0000
133 T A 0.4295
134 P A 0.0000
135 E A -0.2867
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 -1.9363
143 V A 0.0000
144 S A -2.2711
145 H A -2.8199
146 E A -2.9777
147 D A -2.5662
148 P A -2.6255
149 E A -3.0596
150 V A -1.9313
151 K A -2.2538
152 F A -1.3762
153 N A -1.1769
154 W A 0.0000
155 Y A -0.6475
156 V A -0.8567
157 D A -1.9664
158 G A -0.8027
159 V A 0.6587
160 E A -0.5894
161 V A -0.5222
162 H A -1.8486
163 N A -2.1274
164 A A -1.7433
165 K A -2.2584
166 T A -1.8462
167 K A -2.0116
168 P A -1.8488
169 R A -2.4375
170 E A -2.2595
171 E A -2.9201
172 Q A 0.0000
173 Y A -1.4426
174 N A -2.0137
175 S A -1.7833
176 T A -2.0155
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 -0.4165
185 V A 0.0000
186 L A 0.6128
187 H A 0.0000
188 Q A -1.0772
189 D A -1.4318
190 W A 0.0000
191 L A -0.9334
192 N A -1.9861
193 G A -1.9382
194 K A -2.2433
195 E A -2.3568
196 Y A 0.0000
197 K A -1.6723
198 C A 0.0000
199 K A -1.4597
200 V A 0.0000
201 S A -1.4777
202 N A 0.0000
203 K A -2.5676
204 A A -1.4704
205 L A -0.7236
206 G A -0.7118
207 A A -0.4981
208 P A -0.8930
209 I A -0.6637
210 E A -1.8984
211 K A -1.3247
212 T A -1.2452
213 I A 0.0000
214 S A 0.0000
215 K A 0.0000
216 A A -1.0535
217 K A -1.8853
218 G A -1.7149
219 Q A -1.9900
220 P A -1.6177
221 R A -1.9611
222 E A -2.5282
223 P A 0.0000
224 Q A -1.1580
225 V A 0.0000
226 Y A 0.0000
227 T A -0.7795
228 L A 0.0000
229 P A -0.3919
230 P A -0.8568
231 S A 0.0000
232 R A -2.6230
233 D A -2.7134
234 E A 0.0000
235 L A -1.7957
236 T A -1.5387
237 K A -2.0884
238 N A -2.3834
239 Q A -2.1491
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 -0.6710
248 G A -1.1537
249 F A 0.0000
250 Y A -1.1738
251 P A 0.0000
252 S A -0.4191
253 D A -0.6534
254 I A -0.2605
255 A A -0.1205
256 V A 0.0000
257 E A -0.8465
258 W A 0.0000
259 E A -1.5486
260 S A 0.0000
261 N A -1.8844
262 G A -1.7561
263 Q A -2.1489
264 P A -1.6162
265 E A 0.0000
266 N A -1.4706
267 N A -1.2116
268 Y A 0.0000
269 K A 0.0000
270 T A -0.0333
271 T A 0.0000
272 P A 0.2183
273 P A -0.1676
274 V A 0.0000
275 L A -0.2502
276 D A -1.0500
277 S A -1.4970
278 D A -2.1274
279 G A -1.1564
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 -0.6776
289 V A 0.0000
290 D A -2.1800
291 K A -2.3410
292 S A -2.0323
293 R A -1.8697
294 W A 0.0000
295 Q A -2.1408
296 Q A -2.0864
297 G A -1.2430
298 N A -0.9308
299 V A -0.0155
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 -1.0295
308 A A -1.4855
309 L A -1.3845
310 H A -1.7558
311 N A -1.4738
312 H A -0.9516
313 Y A -0.3659
314 T A -0.6061
315 Q A -0.9127
316 K A -0.9859
317 S A -0.5126
318 L A 0.0000
319 S A -0.2119
320 L A -0.3419
321 S A -0.6119
322 P A -1.2150
323 G A -1.4202
324 K A -2.0319
1 N B -1.2047
2 A B -0.6917
3 S B -0.5748
4 C B -0.1699
5 E B -0.9372
6 Y B 0.5210
7 S B -0.0392
8 A B -0.2842
9 S B -0.4248
10 H B -0.9347
11 K B -1.2287
12 Q B -1.1230
13 D B -0.8760
14 L B 0.0000
15 L B 0.7034
16 L B 0.8398
17 G B -0.1255
18 S B -0.1473
19 T B -0.3707
20 G B -0.1670
21 S B -0.1727
22 I B 0.0000
23 S B -0.5047
24 C B 0.0000
25 P B -0.3176
26 S B -0.2248
27 L B 0.0000
28 S B -0.3791
29 C B -0.3754
30 Q B -1.2845
31 S B -1.2214
32 D B -1.8070
33 A B -1.6032
34 Q B -1.9322
35 S B 0.0000
36 P B -0.9562
37 A B -0.4374
38 V B 0.0000
39 T B 0.0000
40 W B 0.0000
41 Y B 0.0000
42 K B -0.8060
43 N B -0.8490
44 G B -0.8090
45 K B -1.3702
46 L B 0.0211
47 L B 0.5043
48 S B 0.5249
49 V B 0.7879
50 E B -0.1141
51 R B -0.9142
52 S B -0.9436
53 N B -1.0368
54 R B -0.8840
55 I B 0.1115
56 V B 0.3258
57 V B 0.0000
58 D B -0.7385
59 E B -0.5392
60 V B 0.0000
61 Y B -0.3048
62 D B -0.4976
63 Y B -0.5978
64 H B -0.8074
65 Q B -1.4313
66 G B -0.8689
67 T B 0.0000
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 -0.2361
74 Q B -0.9337
75 S B -0.9934
76 D B -1.3785
77 T B -0.1170
78 V B 1.0791
79 S B 0.0305
80 S B -0.3059
81 W B -0.0842
82 T B 0.0249
83 V B 0.1328
84 R B -0.0435
85 A B -0.1013
86 V B 0.0000
87 V B 0.0000
88 Q B -1.0585
89 V B 0.0000
90 R B -1.2702
91 T B -0.1449
92 I B 0.8406
93 V B 1.5131
94 G B -0.2126
95 D B -2.3618
96 T B -2.4167
97 K B -3.6908
98 D B -3.9473
99 K B -3.5485
100 T B -2.0244
101 H B -1.5781
102 T B -0.8918
103 C B 0.3024
104 P B -0.0203
105 P B 0.1075
106 C B 0.5163
107 P B -0.4152
108 A B -0.6965
109 P B -1.0943
110 E B -2.1387
111 A B -1.1882
112 A B -1.0953
113 G B -1.3951
114 G B -1.0002
115 P B 0.0000
116 S B -0.4955
117 V B 0.0000
118 F B -0.3882
119 L B 0.0000
120 F B 0.0000
121 P B -0.2667
122 P B 0.0000
123 K B 0.0000
124 P B -0.3014
125 K B 0.0021
126 D B 0.0000
127 T B 0.0000
128 L B 0.0000
129 M B 0.8654
130 I B 1.9378
131 S B 0.8265
132 R B 0.0000
133 T B 0.4604
134 P B 0.0000
135 E B -0.1575
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 -1.9607
143 V B 0.0000
144 S B -2.3109
145 H B -2.8354
146 E B -3.0136
147 D B -2.6400
148 P B -2.7756
149 E B -3.1636
150 V B -2.0328
151 K B -2.2826
152 F B -1.3540
153 N B -1.0846
154 W B 0.0000
155 Y B -0.5856
156 V B -0.8001
157 D B -1.9573
158 G B -0.7853
159 V B 0.6657
160 E B -0.5854
161 V B -0.5004
162 H B -1.8640
163 N B -2.1743
164 A B -1.7976
165 K B -2.3958
166 T B -1.8756
167 K B -1.9178
168 P B -1.9197
169 R B -2.7288
170 E B -2.3518
171 E B -2.8206
172 Q B 0.0000
173 Y B -1.3697
174 N B -1.9883
175 S B -1.7514
176 T B -2.1582
177 Y B 0.0000
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 -0.4158
185 V B 0.0000
186 L B 0.6019
187 H B 0.0000
188 Q B -1.1989
189 D B -1.4524
190 W B 0.0000
191 L B -0.9544
192 N B -2.0364
193 G B 0.0000
194 K B -2.1298
195 E B -2.0736
196 Y B 0.0000
197 K B -1.3877
198 C B 0.0000
199 K B -1.2230
200 V B 0.0000
201 S B -1.4581
202 N B 0.0000
203 K B -2.6032
204 A B -1.5026
205 L B -0.7448
206 G B -0.7226
207 A B -0.3875
208 P B -0.8072
209 I B -0.4334
210 E B -1.3814
211 K B -0.9598
212 T B -0.9968
213 I B 0.0000
214 S B 0.0000
215 K B 0.0000
216 A B -1.3610
217 K B -2.5127
218 G B -2.0237
219 Q B -2.1063
220 P B -1.7049
221 R B -1.9435
222 E B -2.5485
223 P B 0.0000
224 Q B -1.3123
225 V B 0.0000
226 Y B 0.0000
227 T B -0.8030
228 L B 0.0000
229 P B -0.3914
230 P B -0.8700
231 S B 0.0000
232 R B -2.6700
233 D B -2.7797
234 E B 0.0000
235 L B -1.7925
236 T B -1.4962
237 K B -1.9687
238 N B -2.3146
239 Q B -2.0979
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 -0.6750
248 G B -1.1267
249 F B 0.0000
250 Y B -1.1580
251 P B 0.0000
252 S B -0.3677
253 D B -0.6239
254 I B -0.2234
255 A B -0.0761
256 V B 0.0000
257 E B -0.9249
258 W B 0.0000
259 E B -1.7516
260 S B 0.0000
261 N B -1.8923
262 G B -1.7846
263 Q B -2.2054
264 P B -1.7070
265 E B 0.0000
266 N B -1.7268
267 N B -1.3609
268 Y B 0.0000
269 K B 0.0000
270 T B -0.0214
271 T B 0.0000
272 P B 0.2295
273 P B -0.1290
274 V B 0.0000
275 L B -0.1021
276 D B -0.9373
277 S B -1.4158
278 D B -2.0796
279 G B -1.0603
280 S B 0.0000
281 F B -0.3363
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 -0.7183
289 V B 0.0000
290 D B -2.2011
291 K B -2.3672
292 S B -2.0913
293 R B -1.9089
294 W B 0.0000
295 Q B -2.3188
296 Q B -2.1514
297 G B -1.2563
298 N B -0.8678
299 V B 0.0183
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 -0.9722
308 A B -1.4443
309 L B -1.3521
310 H B -1.7166
311 N B -1.6221
312 H B -0.8412
313 Y B -0.4298
314 T B -0.8781
315 Q B -1.4857
316 K B -1.1815
317 S B -0.6215
318 L B 0.0000
319 S B -0.2149
320 L B -0.3803
321 S B -0.6321
322 P B -1.2419
323 G B -1.4214
324 K B -2.0311
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Laboratory of Theory of Biopolymers 2018