Project name: seed3

Status: done

Started: 2026-03-03 09:05:16
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                                          (00:14:21)
[INFO]       Main:     Simulation completed successfully.                                          (00:14:30)
Show buried residues

Minimal score value
-3.9478
Maximal score value
1.7852
Average score
-0.7087
Total score value
-459.2382

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 -1.1965
2 A A -0.6403
3 S A -0.5773
4 C A 0.0473
5 E A -0.8752
6 Y A 0.5975
7 S A 0.0479
8 A A -0.0767
9 S A -0.3157
10 H A -0.9567
11 K A -1.4234
12 Q A -1.1852
13 D A -0.7699
14 L A 0.0000
15 L A 1.1780
16 L A 1.2820
17 G A 0.2060
18 S A 0.0939
19 T A -0.1111
20 G A 0.3141
21 S A 0.1226
22 I A 0.0000
23 S A 0.0000
24 C A 0.0000
25 P A 0.0000
26 S A -0.2304
27 L A 0.0000
28 S A -0.2848
29 C A 0.1899
30 Q A -0.8690
31 S A -1.5892
32 D A -2.5387
33 A A -1.8693
34 Q A -2.0578
35 S A -1.6561
36 P A -0.9760
37 A A -0.7742
38 V A 0.0000
39 T A 0.0000
40 W A 0.0000
41 Y A 0.0000
42 K A -0.8203
43 N A -1.0082
44 G A -0.7240
45 K A -1.0539
46 L A -0.2117
47 L A 0.1699
48 S A 0.0000
49 V A 0.0000
50 E A -0.4172
51 R A -0.7368
52 S A -1.1339
53 N A 0.0000
54 R A -1.1207
55 I A 0.2610
56 V A 0.8553
57 V A 0.0000
58 D A -0.3738
59 E A 0.0000
60 V A 0.0000
61 Y A -0.1294
62 D A -0.6787
63 Y A -0.8145
64 H A -0.8754
65 Q A -1.5965
66 G A -1.0578
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 0.0045
74 Q A -0.5331
75 S A -0.8559
76 D A -1.4017
77 T A -0.1870
78 V A 1.0187
79 S A 0.0826
80 S A -0.2589
81 W A 0.2244
82 T A 0.2094
83 V A 0.2847
84 R A -0.0007
85 A A 0.0000
86 V A 0.0000
87 V A 0.0000
88 Q A -1.1413
89 V A 0.0000
90 R A -1.6381
91 T A -0.1247
92 I A 0.9701
93 V A 1.6802
94 G A -0.1575
95 D A -2.3932
96 T A -2.4658
97 K A -3.8387
98 D A -3.9478
99 K A -3.6422
100 T A -2.0873
101 H A -1.8652
102 T A -0.7996
103 C A 0.2952
104 P A -0.0637
105 P A 0.1319
106 C A 0.3395
107 P A -0.5023
108 A A -0.6580
109 P A -1.0738
110 E A -1.9639
111 A A -1.1502
112 A A -1.0309
113 G A -1.0901
114 G A -0.8874
115 P A 0.0000
116 S A -0.2548
117 V A 0.0000
118 F A -0.2938
119 L A 0.0000
120 F A 0.0000
121 P A -0.2531
122 P A 0.0000
123 K A 0.0000
124 P A 0.0000
125 K A -0.3409
126 D A 0.0000
127 T A 0.0000
128 L A 0.0000
129 M A 0.6773
130 I A 1.6662
131 S A 0.6271
132 R A 0.2378
133 T A 0.2686
134 P A 0.0000
135 E A -0.3231
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 -0.9594
143 V A 0.0000
144 S A -1.8460
145 H A -2.4494
146 E A -2.8854
147 D A -2.3756
148 P A -2.4358
149 E A -3.0221
150 V A -1.8827
151 K A -2.2340
152 F A -1.1989
153 N A -1.1623
154 W A 0.0000
155 Y A -0.5407
156 V A -0.7162
157 D A -1.7225
158 G A -0.6945
159 V A 0.6999
160 E A -0.6224
161 V A -0.5416
162 H A -1.8813
163 N A -2.1832
164 A A -1.7885
165 K A -2.3330
166 T A -1.7152
167 K A -1.5979
168 P A -1.6865
169 R A -2.4109
170 E A -2.1052
171 E A -2.5605
172 Q A 0.0000
173 Y A -0.7209
174 N A -1.2061
175 S A -1.1023
176 T A -1.4414
177 Y A -1.5206
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 -0.4882
185 V A 0.0000
186 L A 0.5819
187 H A 0.0000
188 Q A -1.1924
189 D A -1.4663
190 W A 0.0000
191 L A -0.9981
192 N A -2.0330
193 G A -1.9748
194 K A -2.1692
195 E A -2.0958
196 Y A 0.0000
197 K A -1.5914
198 C A 0.0000
199 K A -1.4976
200 V A 0.0000
201 S A -1.4940
202 N A 0.0000
203 K A -2.5623
204 A A -1.4783
205 L A -0.7101
206 G A -0.7153
207 A A -0.5075
208 P A -0.9083
209 I A -0.6514
210 E A -1.9594
211 K A -1.3729
212 T A -1.2089
213 I A 0.0000
214 S A 0.0000
215 K A -1.1259
216 A A -0.9433
217 K A -1.7627
218 G A -1.7192
219 Q A -2.0156
220 P A -1.7215
221 R A -2.0630
222 E A -2.6241
223 P A 0.0000
224 Q A -1.2209
225 V A 0.0000
226 Y A 0.0000
227 T A -0.8038
228 L A 0.0000
229 P A -0.3976
230 P A -0.8547
231 S A 0.0000
232 R A -2.6581
233 D A -2.8101
234 E A 0.0000
235 L A -1.7723
236 T A -1.5508
237 K A -2.1358
238 N A -2.4237
239 Q A -2.1782
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 -0.6573
248 G A -1.1261
249 F A 0.0000
250 Y A 0.0000
251 P A 0.0000
252 S A -0.3211
253 D A -0.5455
254 I A 0.0000
255 A A 0.0000
256 V A 0.0000
257 E A -0.9300
258 W A 0.0000
259 E A -1.5665
260 S A 0.0000
261 N A -1.8485
262 G A -1.6891
263 Q A -2.1182
264 P A -1.7555
265 E A 0.0000
266 N A -2.0593
267 N A -1.3295
268 Y A -0.8830
269 K A -0.6842
270 T A 0.0000
271 T A 0.0000
272 P A 0.0442
273 P A -0.0352
274 V A 0.0000
275 L A -0.2359
276 D A -0.9010
277 S A -1.5750
278 D A -1.9812
279 G A -0.9507
280 S A 0.0000
281 F A -0.3605
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 -0.8149
289 V A 0.0000
290 D A -2.4127
291 K A -2.4730
292 S A -2.1833
293 R A -1.9884
294 W A 0.0000
295 Q A -2.3571
296 Q A -2.1695
297 G A -1.3484
298 N A -1.0319
299 V A -0.0195
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 -1.0604
308 A A -1.5688
309 L A 0.0000
310 H A -1.8105
311 N A -1.4794
312 H A -0.9702
313 Y A -0.3897
314 T A -0.6424
315 Q A -0.9117
316 K A -1.0995
317 S A -0.5581
318 L A 0.0000
319 S A -0.2646
320 L A -0.4258
321 S A -0.7332
322 P A -1.0957
323 G A -1.4196
324 K A -2.2185
1 N B -1.1963
2 A B -0.6365
3 S B -0.5685
4 C B 0.0115
5 E B -0.8737
6 Y B 0.5879
7 S B 0.0552
8 A B -0.0386
9 S B -0.1311
10 H B -0.7018
11 K B -1.0396
12 Q B -0.9692
13 D B -0.6031
14 L B 0.0000
15 L B 1.1307
16 L B 1.2557
17 G B 0.2182
18 S B 0.1344
19 T B -0.1371
20 G B 0.1648
21 S B -0.1285
22 I B 0.0000
23 S B 0.0000
24 C B 0.0000
25 P B -0.2750
26 S B -0.2600
27 L B 0.0000
28 S B -0.3663
29 C B 0.0442
30 Q B -1.0836
31 S B -1.7098
32 D B -2.8117
33 A B -1.9894
34 Q B -2.2345
35 S B -1.7649
36 P B -1.0362
37 A B -0.8232
38 V B 0.0000
39 T B 0.0000
40 W B 0.0000
41 Y B 0.0000
42 K B -0.8007
43 N B -0.9790
44 G B -0.6718
45 K B -0.9155
46 L B -0.1008
47 L B 0.0657
48 S B 0.0000
49 V B 0.0000
50 E B 0.0000
51 R B -0.8389
52 S B -1.2350
53 N B 0.0000
54 R B -1.3579
55 I B 0.0000
56 V B 0.2562
57 V B 0.0000
58 D B -0.4425
59 E B 0.0000
60 V B 0.0000
61 Y B -0.1613
62 D B -0.7330
63 Y B -0.8708
64 H B -0.9346
65 Q B -1.6724
66 G B -1.1127
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 -0.0329
74 Q B -0.5308
75 S B -0.8356
76 D B -1.3556
77 T B -0.1668
78 V B 1.0325
79 S B 0.0505
80 S B -0.2515
81 W B 0.2289
82 T B 0.2184
83 V B 0.2853
84 R B -0.0324
85 A B -0.0955
86 V B 0.0000
87 V B 0.0000
88 Q B -0.9868
89 V B 0.0000
90 R B -1.6850
91 T B -0.1678
92 I B 1.0150
93 V B 1.7852
94 G B 0.0263
95 D B -2.3234
96 T B -2.4097
97 K B -3.8045
98 D B -3.9476
99 K B -3.6318
100 T B -2.0937
101 H B -1.8404
102 T B -0.8110
103 C B 0.2989
104 P B -0.2506
105 P B 0.1240
106 C B 0.3343
107 P B -0.5013
108 A B -0.6498
109 P B -1.0707
110 E B -1.9587
111 A B -1.1507
112 A B -1.0339
113 G B -1.0917
114 G B -0.9165
115 P B 0.0000
116 S B -0.2639
117 V B 0.0000
118 F B -0.2293
119 L B 0.0000
120 F B 0.0000
121 P B -0.1880
122 P B 0.0000
123 K B 0.0000
124 P B 0.0000
125 K B -0.2202
126 D B 0.0000
127 T B 0.0000
128 L B 0.0000
129 M B 0.7312
130 I B 1.7014
131 S B 0.6359
132 R B 0.3287
133 T B 0.3359
134 P B 0.0000
135 E B -0.3174
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 -1.0893
143 V B 0.0000
144 S B -2.0356
145 H B -2.5877
146 E B -3.0315
147 D B -2.7005
148 P B -2.6612
149 E B -3.1549
150 V B -1.9633
151 K B -2.2297
152 F B -1.1480
153 N B -1.1036
154 W B 0.0000
155 Y B -0.5609
156 V B -0.7672
157 D B -1.8629
158 G B -0.7610
159 V B 0.6648
160 E B -0.6227
161 V B -0.5322
162 H B -1.8799
163 N B -2.1850
164 A B -1.7932
165 K B -2.3382
166 T B -1.7413
167 K B -1.6624
168 P B -1.8129
169 R B -2.6636
170 E B -2.3144
171 E B -2.5723
172 Q B 0.0000
173 Y B -0.1200
174 N B -0.9084
175 S B -0.9632
176 T B -1.4456
177 Y B -1.7570
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 -0.4761
185 V B 0.0000
186 L B 0.6228
187 H B 0.0000
188 Q B -1.1771
189 D B -1.4347
190 W B 0.0000
191 L B -0.9618
192 N B -2.0104
193 G B -1.9476
194 K B -2.1147
195 E B -2.0600
196 Y B 0.0000
197 K B -1.5143
198 C B 0.0000
199 K B -1.2862
200 V B 0.0000
201 S B -1.4508
202 N B 0.0000
203 K B -2.6570
204 A B -1.5694
205 L B -0.7649
206 G B -0.7302
207 A B -0.5178
208 P B -0.8542
209 I B -0.4585
210 E B -1.5447
211 K B -1.1512
212 T B -1.1043
213 I B 0.0000
214 S B 0.0000
215 K B 0.0000
216 A B -0.9966
217 K B -1.9508
218 G B -1.8482
219 Q B -2.1306
220 P B -1.8833
221 R B -2.4500
222 E B -2.7867
223 P B 0.0000
224 Q B -1.3647
225 V B 0.0000
226 Y B 0.0000
227 T B -0.7861
228 L B 0.0000
229 P B -0.4019
230 P B -0.8715
231 S B 0.0000
232 R B -2.6702
233 D B -2.8026
234 E B 0.0000
235 L B -1.8058
236 T B -1.5551
237 K B -2.0936
238 N B -2.3725
239 Q B -2.1294
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 -0.7734
248 G B -1.2972
249 F B 0.0000
250 Y B -1.3711
251 P B 0.0000
252 S B -0.3503
253 D B -0.5419
254 I B 0.0000
255 A B 0.0000
256 V B 0.0000
257 E B -1.0559
258 W B 0.0000
259 E B -1.6157
260 S B 0.0000
261 N B -1.8661
262 G B -1.7257
263 Q B -2.1930
264 P B -1.8128
265 E B 0.0000
266 N B -2.3728
267 N B -1.7296
268 Y B 0.0000
269 K B -0.7485
270 T B 0.0000
271 T B 0.0000
272 P B 0.0080
273 P B -0.0752
274 V B 0.0000
275 L B -0.1038
276 D B -0.8952
277 S B -1.5784
278 D B -2.0445
279 G B -0.9941
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 -0.8213
289 V B 0.0000
290 D B -2.1779
291 K B -2.3648
292 S B -2.1052
293 R B -1.9072
294 W B 0.0000
295 Q B -2.3378
296 Q B -2.1653
297 G B -1.3407
298 N B -1.0000
299 V B -0.0031
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 -1.0728
308 A B -1.5959
309 L B -1.4222
310 H B -1.7141
311 N B -1.4088
312 H B -0.8611
313 Y B -0.2684
314 T B -0.5770
315 Q B -0.9042
316 K B -1.0280
317 S B -0.5231
318 L B 0.0000
319 S B -0.2618
320 L B -0.4371
321 S B -0.7433
322 P B -1.1106
323 G B -1.4260
324 K B -2.2207
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Laboratory of Theory of Biopolymers 2018