Project name: seed13

Status: done

Started: 2026-03-03 09:23:01
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                                          (00:15:28)
[INFO]       Main:     Simulation completed successfully.                                          (00:15:37)
Show buried residues

Minimal score value
-3.9372
Maximal score value
1.4351
Average score
-0.7318
Total score value
-474.1995

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 -1.5063
2 A A -0.8092
3 S A -0.5044
4 C A -0.4602
5 E A -1.1430
6 Y A 0.6806
7 S A 0.3495
8 A A 0.1034
9 S A -0.4424
10 H A 0.0000
11 K A -1.5915
12 Q A 0.0000
13 D A -1.8243
14 L A 0.0000
15 L A 0.7150
16 L A 0.7941
17 G A -0.0530
18 S A 0.0227
19 T A -0.1409
20 G A 0.0986
21 S A 0.2368
22 I A 0.0000
23 S A -0.1018
24 C A 0.0000
25 P A 0.0000
26 S A -0.3272
27 L A 0.0000
28 S A -0.3625
29 C A -0.1269
30 Q A -1.2135
31 S A -1.4417
32 D A -2.1920
33 A A -1.3193
34 Q A -1.8450
35 S A -1.6753
36 P A -1.1389
37 A A -1.1723
38 V A 0.0000
39 T A -0.4018
40 W A 0.0000
41 Y A 0.2961
42 K A -0.2710
43 N A -0.4930
44 G A -0.3358
45 K A -0.4187
46 L A 0.7573
47 L A 0.3329
48 S A -0.0437
49 V A -0.1831
50 E A -1.7294
51 R A -2.4518
52 S A -1.7010
53 N A 0.0000
54 R A -0.9338
55 I A 0.0000
56 V A 1.2946
57 V A 0.0000
58 D A -0.5854
59 E A 0.0000
60 V A 0.0000
61 Y A 0.0000
62 D A -0.1389
63 Y A -0.4552
64 H A -0.7087
65 Q A -1.3200
66 G A -0.8153
67 T A -0.5487
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 -0.3685
74 Q A -1.0430
75 S A -0.9039
76 D A -1.0534
77 T A 0.0458
78 V A 1.1928
79 S A 0.1563
80 S A -0.3367
81 W A -0.1224
82 T A -0.0759
83 V A 0.0000
84 R A 0.0000
85 A A 0.0000
86 V A 0.0000
87 V A 0.0000
88 Q A -1.3013
89 V A 0.0000
90 R A -1.8813
91 T A -0.3320
92 I A 0.6776
93 V A 1.4351
94 G A -0.0298
95 D A -2.1218
96 T A -2.3503
97 K A -3.6478
98 D A -3.9372
99 K A -3.3385
100 T A -2.0032
101 H A -1.5491
102 T A -1.3495
103 C A 0.3091
104 P A -0.0230
105 P A -0.1169
106 C A 0.4635
107 P A -0.4370
108 A A -0.5550
109 P A -1.0188
110 E A -2.0306
111 A A -1.2549
112 A A -1.0480
113 G A -0.9369
114 G A -0.6917
115 P A 0.0000
116 S A -0.0731
117 V A 0.0000
118 F A 0.1084
119 L A 0.0000
120 F A 0.0000
121 P A -0.2896
122 P A 0.0000
123 K A -0.8049
124 P A -0.7592
125 K A -0.8676
126 D A -0.8509
127 T A 0.0000
128 L A 0.0000
129 M A 0.1814
130 I A 1.2263
131 S A 0.0032
132 R A -1.2292
133 T A -0.5235
134 P A 0.0000
135 E A -0.5448
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 -0.8898
143 V A 0.0000
144 S A -1.9343
145 H A -2.5797
146 E A -3.0142
147 D A -2.7042
148 P A -2.6117
149 E A -3.1344
150 V A -1.9658
151 K A -2.2403
152 F A -1.0982
153 N A -1.0794
154 W A 0.0000
155 Y A -0.6273
156 V A -0.7890
157 D A -1.8403
158 G A -0.7718
159 V A 0.6415
160 E A -0.6770
161 V A -0.5625
162 H A -1.8633
163 N A -2.1323
164 A A -1.6705
165 K A -2.0731
166 T A -1.5581
167 K A -1.4549
168 P A -1.6721
169 R A -2.5343
170 E A -2.1920
171 E A -2.5166
172 Q A 0.0000
173 Y A 0.1551
174 N A -0.3984
175 S A -0.7549
176 T A -1.3860
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 -0.3806
185 V A 0.0000
186 L A 0.9245
187 H A -0.0508
188 Q A -1.0978
189 D A -1.3005
190 W A 0.0000
191 L A -0.9936
192 N A -2.0581
193 G A -2.0884
194 K A -2.1553
195 E A -2.2076
196 Y A 0.0000
197 K A -1.4412
198 C A 0.0000
199 K A -1.1092
200 V A 0.0000
201 S A -1.3658
202 N A 0.0000
203 K A -2.6166
204 A A -1.5472
205 L A -0.7074
206 G A -0.5990
207 A A -0.3107
208 P A -0.6487
209 I A -0.0317
210 E A -0.7336
211 K A -0.4656
212 T A -0.7648
213 I A 0.0000
214 S A 0.0000
215 K A -1.3660
216 A A -1.3485
217 K A -2.3263
218 G A -2.0131
219 Q A -2.0954
220 P A -1.7554
221 R A -2.0383
222 E A -2.5997
223 P A 0.0000
224 Q A -1.2998
225 V A 0.0000
226 Y A 0.0000
227 T A -0.8076
228 L A 0.0000
229 P A -0.3944
230 P A -0.8749
231 S A 0.0000
232 R A -2.6486
233 D A -2.7553
234 E A 0.0000
235 L A -1.7733
236 T A -1.4964
237 K A -2.0411
238 N A -2.5123
239 Q A -2.4864
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 -0.6688
248 G A -1.1391
249 F A 0.0000
250 Y A 0.0000
251 P A 0.0000
252 S A -0.4465
253 D A -0.9740
254 I A -0.4387
255 A A 0.0000
256 V A 0.0000
257 E A -1.2090
258 W A 0.0000
259 E A -1.7605
260 S A 0.0000
261 N A -1.8750
262 G A -1.7589
263 Q A -2.2468
264 P A -1.9020
265 E A 0.0000
266 N A -2.0124
267 N A -1.3934
268 Y A -0.7974
269 K A -0.6663
270 T A -0.1925
271 T A 0.0000
272 P A 0.0294
273 P A -0.0532
274 V A 0.0000
275 L A -0.3304
276 D A -1.0054
277 S A -1.6556
278 D A -2.0757
279 G A -1.0387
280 S A 0.0000
281 F A -0.2974
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 -0.9382
289 V A 0.0000
290 D A -2.7097
291 K A -2.6584
292 S A -2.2477
293 R A -2.0639
294 W A 0.0000
295 Q A -2.3357
296 Q A -2.1274
297 G A -1.2566
298 N A -0.8856
299 V A 0.0374
300 F A 0.0000
301 S A -0.9875
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 -1.0639
308 A A -1.4996
309 L A -1.3976
310 H A -1.7450
311 N A -1.4263
312 H A -0.8963
313 Y A -0.4142
314 T A -0.7282
315 Q A -1.1412
316 K A -1.1089
317 S A -0.5786
318 L A 0.0000
319 S A -0.2077
320 L A -0.3481
321 S A -0.7003
322 P A -0.9770
323 G A -1.4123
324 K A -2.0299
1 N B -1.5242
2 A B -0.8236
3 S B -0.5222
4 C B -0.4524
5 E B -1.1680
6 Y B 0.6733
7 S B 0.3864
8 A B 0.1093
9 S B -0.4146
10 H B 0.0000
11 K B -1.7060
12 Q B 0.0000
13 D B -1.9997
14 L B 0.0000
15 L B 0.2905
16 L B 0.4441
17 G B -0.2579
18 S B -0.1646
19 T B -0.3919
20 G B -0.1667
21 S B -0.0656
22 I B 0.0000
23 S B -0.1532
24 C B 0.0000
25 P B 0.0000
26 S B -0.2633
27 L B 0.0000
28 S B -0.2162
29 C B 0.0542
30 Q B -0.8490
31 S B -1.2317
32 D B -1.9092
33 A B -1.1823
34 Q B -1.7106
35 S B -1.5047
36 P B -1.0719
37 A B -1.1421
38 V B 0.0000
39 T B -0.3691
40 W B 0.0000
41 Y B 0.3350
42 K B -0.2403
43 N B 0.0000
44 G B -0.3144
45 K B -0.3794
46 L B 0.8323
47 L B 0.3864
48 S B -0.0388
49 V B -0.2424
50 E B -1.7446
51 R B -2.3786
52 S B -1.6603
53 N B 0.0000
54 R B -0.9769
55 I B 0.0000
56 V B 0.6085
57 V B 0.0000
58 D B -0.9577
59 E B 0.0000
60 V B 0.0000
61 Y B 0.0000
62 D B -0.2737
63 Y B -0.4990
64 H B -0.7784
65 Q B -1.5110
66 G B -1.0081
67 T B -0.6851
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 -0.3436
74 Q B -1.0874
75 S B -1.0126
76 D B -1.2629
77 T B -0.0535
78 V B 1.1211
79 S B 0.0533
80 S B -0.4084
81 W B -0.1637
82 T B -0.1037
83 V B 0.0348
84 R B 0.0000
85 A B 0.0000
86 V B 0.0000
87 V B 0.0000
88 Q B -1.3859
89 V B 0.0000
90 R B -2.2249
91 T B -0.6980
92 I B 0.2267
93 V B 0.9652
94 G B -0.3182
95 D B -2.2114
96 T B -2.3693
97 K B -3.5916
98 D B -3.9122
99 K B -3.3036
100 T B -1.9585
101 H B -1.5047
102 T B -0.8680
103 C B 0.3115
104 P B -0.0224
105 P B 0.1071
106 C B 0.4676
107 P B -0.4445
108 A B -0.5613
109 P B -1.0633
110 E B -2.0534
111 A B -1.2667
112 A B -1.0972
113 G B -0.9878
114 G B -0.8738
115 P B 0.0000
116 S B -0.0929
117 V B 0.0000
118 F B 0.1385
119 L B -0.0477
120 F B 0.0000
121 P B -0.3917
122 P B 0.0000
123 K B -0.9628
124 P B -0.8460
125 K B -0.7483
126 D B -0.7197
127 T B 0.0000
128 L B 0.0000
129 M B 0.3409
130 I B 1.4055
131 S B 0.2552
132 R B -0.7250
133 T B -0.3500
134 P B 0.0000
135 E B -0.9137
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 -0.8329
143 V B 0.0000
144 S B -1.9016
145 H B -2.5542
146 E B -3.0194
147 D B -2.6976
148 P B -2.5751
149 E B -3.1155
150 V B -1.9525
151 K B -2.2498
152 F B -1.1262
153 N B -1.1816
154 W B 0.0000
155 Y B -0.8203
156 V B -0.8308
157 D B -1.8277
158 G B -0.8672
159 V B 0.3361
160 E B -1.3810
161 V B -0.8262
162 H B -2.0132
163 N B -2.2381
164 A B -1.7971
165 K B -2.2846
166 T B -1.6133
167 K B -1.4634
168 P B -1.7066
169 R B -2.6020
170 E B -2.5466
171 E B -2.6561
172 Q B 0.0000
173 Y B 0.1373
174 N B -0.3786
175 S B -0.7120
176 T B -1.3720
177 Y B -1.7767
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 -0.5737
185 V B 0.0000
186 L B 0.9443
187 H B 0.0061
188 Q B -1.0723
189 D B -1.2415
190 W B 0.0000
191 L B -1.0188
192 N B -2.0370
193 G B -2.0526
194 K B -2.0008
195 E B -1.9017
196 Y B 0.0000
197 K B -1.2637
198 C B 0.0000
199 K B -1.0423
200 V B 0.0000
201 S B -1.3825
202 N B 0.0000
203 K B -2.6230
204 A B -1.5433
205 L B -0.7141
206 G B -0.5929
207 A B -0.3181
208 P B -0.6898
209 I B 0.0014
210 E B -0.5972
211 K B -0.2615
212 T B -0.5375
213 I B 0.0000
214 S B 0.0000
215 K B -1.3621
216 A B -1.3322
217 K B -2.2546
218 G B -1.9454
219 Q B -2.0585
220 P B -1.6997
221 R B -1.9635
222 E B -2.5436
223 P B 0.0000
224 Q B -1.1821
225 V B 0.0000
226 Y B 0.0000
227 T B -0.7906
228 L B 0.0000
229 P B -0.3982
230 P B -0.8500
231 S B 0.0000
232 R B -2.6674
233 D B -2.8150
234 E B 0.0000
235 L B -1.8141
236 T B -1.5673
237 K B -2.1106
238 N B -2.3821
239 Q B -2.1367
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 -0.5814
248 G B -1.0428
249 F B 0.0000
250 Y B -1.2177
251 P B 0.0000
252 S B -0.5272
253 D B -1.2112
254 I B -0.5420
255 A B -0.4252
256 V B 0.0000
257 E B -0.9790
258 W B 0.0000
259 E B -1.5673
260 S B 0.0000
261 N B -1.7937
262 G B -1.6409
263 Q B -2.0257
264 P B -1.7374
265 E B 0.0000
266 N B -1.9358
267 N B -1.3854
268 Y B -0.7970
269 K B -0.7069
270 T B -0.2059
271 T B 0.0000
272 P B 0.0096
273 P B 0.0483
274 V B 0.0000
275 L B -0.4176
276 D B 0.0000
277 S B -1.5872
278 D B -2.0262
279 G B -0.9008
280 S B 0.0000
281 F B -0.2279
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 -0.7913
289 V B 0.0000
290 D B -2.3775
291 K B -2.4925
292 S B -2.2428
293 R B -2.1349
294 W B 0.0000
295 Q B -2.3773
296 Q B -2.2014
297 G B -1.3167
298 N B -0.9637
299 V B 0.0337
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 -1.1223
308 A B -1.4872
309 L B -1.3844
310 H B -1.7433
311 N B -1.4231
312 H B -0.8907
313 Y B -0.3660
314 T B -0.6405
315 Q B -0.9813
316 K B -1.0478
317 S B -0.5292
318 L B 0.0000
319 S B -0.2378
320 L B -0.4043
321 S B -0.7196
322 P B -0.9825
323 G B -1.4192
324 K B -2.0306
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Laboratory of Theory of Biopolymers 2018