Project name: seed9

Status: done

Started: 2026-03-03 09:15:34
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                                          (00:16:27)
[INFO]       Main:     Simulation completed successfully.                                          (00:16:35)
Show buried residues

Minimal score value
-3.8632
Maximal score value
1.7243
Average score
-0.7515
Total score value
-486.9782

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 -1.2059
2 A A -0.7414
3 S A -0.5602
4 C A -0.0707
5 E A -0.8896
6 Y A 0.5118
7 S A -0.0724
8 A A -0.1562
9 S A -0.3197
10 H A -0.6531
11 K A -1.0838
12 Q A -0.7868
13 D A -0.3260
14 L A 0.0000
15 L A 1.1762
16 L A 0.8661
17 G A -0.2731
18 S A -0.3414
19 T A -0.8510
20 G A -0.4964
21 S A -0.4326
22 I A 0.0000
23 S A -0.6089
24 C A 0.0000
25 P A 0.0000
26 S A 0.0842
27 L A 0.0000
28 S A -0.2796
29 C A -0.0192
30 Q A -0.8134
31 S A -1.2874
32 D A -2.0211
33 A A -1.3056
34 Q A -1.4746
35 S A 0.0000
36 P A -0.6116
37 A A -0.7571
38 V A 0.0000
39 T A 0.0000
40 W A 0.0000
41 Y A 0.0000
42 K A -1.1033
43 N A -1.3394
44 G A -1.3797
45 K A -2.0365
46 L A -0.7786
47 L A -0.4066
48 S A -0.3439
49 V A -0.4271
50 E A -1.6230
51 R A -1.7452
52 S A -1.5293
53 N A 0.0000
54 R A -1.3765
55 I A 0.0000
56 V A -0.2306
57 V A 0.0000
58 D A -2.0731
59 E A -1.5010
60 V A 0.0000
61 Y A 0.2811
62 D A -0.5280
63 Y A 0.4759
64 H A -0.2833
65 Q A -0.8274
66 G A -0.7329
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 -0.1385
74 Q A -0.3234
75 S A -0.4071
76 D A -0.7009
77 T A -0.8457
78 V A -0.4527
79 S A 0.0000
80 S A 0.0000
81 W A -0.2190
82 T A -0.0901
83 V A 0.0461
84 R A -0.1050
85 A A 0.0000
86 V A 0.0000
87 V A 0.0000
88 Q A 0.0000
89 V A 0.0000
90 R A -0.8347
91 T A 0.2563
92 I A 1.1969
93 V A 1.7243
94 G A 0.0286
95 D A -2.0859
96 T A -2.2641
97 K A -3.5697
98 D A -3.8558
99 K A -3.2948
100 T A -2.0154
101 H A -1.4974
102 T A -0.6464
103 C A 0.3105
104 P A -0.0224
105 P A -0.1582
106 C A 0.4252
107 P A -0.3510
108 A A -0.5445
109 P A -1.2200
110 E A -2.3830
111 A A -1.4658
112 A A -1.0633
113 G A -1.0217
114 G A -0.6502
115 P A 0.0000
116 S A -0.2302
117 V A 0.0000
118 F A 0.0000
119 L A 0.0000
120 F A -0.0045
121 P A -0.2748
122 P A 0.0000
123 K A -0.9545
124 P A 0.0000
125 K A -0.6855
126 D A 0.0000
127 T A 0.0000
128 L A 0.0000
129 M A 0.3772
130 I A 1.3662
131 S A 0.1743
132 R A -0.9316
133 T A -0.5000
134 P A 0.0000
135 E A -1.1276
136 V A 0.0000
137 T A -0.4044
138 C A 0.0000
139 V A 0.0000
140 V A 0.0000
141 V A 0.0000
142 D A -0.8572
143 V A 0.0000
144 S A -1.9311
145 H A -2.6109
146 E A -2.9833
147 D A -2.6295
148 P A -2.8257
149 E A -3.1493
150 V A -1.9738
151 K A -2.2345
152 F A -1.1500
153 N A -1.1039
154 W A 0.0000
155 Y A -0.6690
156 V A -0.8230
157 D A -2.0642
158 G A -0.8482
159 V A 0.6038
160 E A -0.6658
161 V A -0.5390
162 H A -1.8801
163 N A -2.1868
164 A A -1.9146
165 K A -2.4575
166 T A -1.9764
167 K A -2.1563
168 P A -2.1309
169 R A -2.9852
170 E A -2.6285
171 E A -2.7906
172 Q A 0.0000
173 Y A -0.6525
174 N A 0.0000
175 S A -0.8861
176 T A -1.5629
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 -0.6970
185 V A 0.0000
186 L A 0.8137
187 H A -0.0853
188 Q A -1.1537
189 D A -1.4090
190 W A 0.0000
191 L A -1.0746
192 N A -2.1374
193 G A -2.1974
194 K A -2.1345
195 E A -2.0050
196 Y A 0.0000
197 K A -1.4599
198 C A 0.0000
199 K A -1.3120
200 V A 0.0000
201 S A -1.4265
202 N A 0.0000
203 K A -2.6031
204 A A -1.4963
205 L A -0.6866
206 G A -0.6936
207 A A -0.4547
208 P A -0.7868
209 I A -0.4714
210 E A -1.5471
211 K A -1.1147
212 T A -1.0200
213 I A -0.4912
214 S A -1.2142
215 K A -1.2622
216 A A -1.3228
217 K A -2.3654
218 G A -1.9640
219 Q A -2.0909
220 P A -1.6545
221 R A -1.8858
222 E A -2.4920
223 P A 0.0000
224 Q A -1.1550
225 V A 0.0000
226 Y A 0.0000
227 T A -0.7708
228 L A 0.0000
229 P A -0.3942
230 P A -0.8619
231 S A 0.0000
232 R A -2.6587
233 D A -2.8036
234 E A 0.0000
235 L A -1.7914
236 T A -1.5647
237 K A -2.1127
238 N A -2.3789
239 Q A -2.1555
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 -0.5516
248 G A -1.0086
249 F A 0.0000
250 Y A -1.0307
251 P A 0.0000
252 S A -0.2468
253 D A -0.7335
254 I A 0.0000
255 A A 0.0000
256 V A 0.0000
257 E A -0.8779
258 W A 0.0000
259 E A -1.5530
260 S A 0.0000
261 N A -1.8501
262 G A -1.8154
263 Q A -2.2146
264 P A -1.7888
265 E A 0.0000
266 N A -1.9801
267 N A -1.4637
268 Y A 0.0000
269 K A -0.9373
270 T A 0.0000
271 T A 0.0000
272 P A -0.0836
273 P A 0.0350
274 V A 0.0875
275 L A -0.2717
276 D A -0.9374
277 S A -1.3464
278 D A -1.9982
279 G A -1.2800
280 S A 0.0000
281 F A -0.2075
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 -0.8527
289 V A 0.0000
290 D A -2.2111
291 K A -2.4090
292 S A -2.1611
293 R A -2.0127
294 W A 0.0000
295 Q A -2.3528
296 Q A -2.1778
297 G A -1.3088
298 N A -0.9379
299 V A 0.0979
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 -1.0065
308 A A -1.4172
309 L A -1.3364
310 H A -1.7110
311 N A -1.3721
312 H A -0.8393
313 Y A -0.2488
314 T A -0.5180
315 Q A -0.7852
316 K A -0.9114
317 S A -0.4553
318 L A 0.0000
319 S A -0.2251
320 L A -0.3948
321 S A -0.6285
322 P A -1.1068
323 G A -1.4226
324 K A -2.0313
1 N B -1.2052
2 A B -0.7423
3 S B -0.5637
4 C B -0.0731
5 E B -0.8993
6 Y B 0.5307
7 S B -0.0726
8 A B -0.1500
9 S B -0.2482
10 H B -0.7214
11 K B -1.0655
12 Q B -0.7683
13 D B -0.3953
14 L B 0.0000
15 L B 0.8642
16 L B 0.7964
17 G B -0.3798
18 S B -0.4573
19 T B -0.8266
20 G B -0.4214
21 S B -0.2269
22 I B 0.0000
23 S B -0.5543
24 C B 0.0000
25 P B 0.0000
26 S B 0.0160
27 L B 0.0000
28 S B -0.3388
29 C B -0.1132
30 Q B -0.9205
31 S B -1.5300
32 D B -2.4369
33 A B -1.5374
34 Q B -1.6241
35 S B 0.0000
36 P B -0.6530
37 A B -0.7928
38 V B 0.0000
39 T B -0.3675
40 W B 0.0000
41 Y B 0.0000
42 K B -1.1039
43 N B -1.3034
44 G B -1.3567
45 K B -2.0239
46 L B -0.7754
47 L B -0.4265
48 S B -0.4218
49 V B -0.4035
50 E B -1.5796
51 R B -1.7689
52 S B -1.5723
53 N B 0.0000
54 R B -1.2802
55 I B 0.0000
56 V B 0.2331
57 V B 0.0000
58 D B -1.9589
59 E B -1.4968
60 V B 0.0000
61 Y B 0.2895
62 D B -0.5248
63 Y B 0.5589
64 H B -0.2516
65 Q B -0.7715
66 G B 0.0000
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 -0.1507
74 Q B -0.3413
75 S B -0.4384
76 D B -0.7026
77 T B -0.8474
78 V B -0.4404
79 S B 0.0000
80 S B 0.0000
81 W B -0.2229
82 T B -0.0101
83 V B 0.0437
84 R B -0.0740
85 A B 0.0000
86 V B 0.0000
87 V B 0.0000
88 Q B 0.0000
89 V B 0.0000
90 R B -0.6832
91 T B 0.1911
92 I B 1.0988
93 V B 1.5482
94 G B -0.1004
95 D B -2.0910
96 T B -2.2589
97 K B -3.5797
98 D B -3.8632
99 K B -3.3024
100 T B -2.0191
101 H B -1.5080
102 T B -0.8610
103 C B 0.3084
104 P B -0.0258
105 P B -0.1627
106 C B 0.4379
107 P B -0.3557
108 A B -0.5391
109 P B -1.2182
110 E B -2.3786
111 A B -1.4367
112 A B -1.0445
113 G B -0.9974
114 G B -0.6337
115 P B 0.0000
116 S B -0.2434
117 V B 0.0000
118 F B 0.0000
119 L B -0.0900
120 F B 0.0360
121 P B -0.2237
122 P B 0.0000
123 K B -0.8747
124 P B 0.0000
125 K B -0.6645
126 D B -0.8071
127 T B 0.0000
128 L B 0.0000
129 M B 0.3177
130 I B 1.3305
131 S B 0.1289
132 R B -1.0114
133 T B -0.5343
134 P B 0.0000
135 E B -1.1288
136 V B 0.0000
137 T B -0.3653
138 C B 0.0000
139 V B 0.0000
140 V B 0.0000
141 V B 0.0000
142 D B -0.8706
143 V B 0.0000
144 S B -1.9204
145 H B -2.5841
146 E B -2.9517
147 D B -2.5644
148 P B -2.8271
149 E B -3.1368
150 V B -1.9913
151 K B -2.2230
152 F B -1.1295
153 N B -1.0946
154 W B 0.0000
155 Y B -0.6621
156 V B -0.8285
157 D B -2.0923
158 G B -0.8637
159 V B 0.5886
160 E B -0.6890
161 V B -0.5516
162 H B -1.8887
163 N B -2.1886
164 A B -1.9551
165 K B -2.5509
166 T B -2.1658
167 K B -2.5205
168 P B -2.2953
169 R B -3.0658
170 E B -2.4921
171 E B -2.7176
172 Q B 0.0000
173 Y B -0.6206
174 N B 0.0000
175 S B -0.8852
176 T B -1.5608
177 Y B 0.0000
178 R B -1.6357
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 -0.6808
185 V B 0.0000
186 L B 0.8404
187 H B -0.1052
188 Q B -1.1368
189 D B -1.3911
190 W B 0.0000
191 L B -1.0526
192 N B -2.1034
193 G B -2.1359
194 K B -2.1065
195 E B -1.9628
196 Y B 0.0000
197 K B -1.4169
198 C B 0.0000
199 K B -1.2484
200 V B 0.0000
201 S B -1.4071
202 N B 0.0000
203 K B -2.5863
204 A B -1.4750
205 L B -0.6808
206 G B -0.6973
207 A B -0.4686
208 P B -0.7976
209 I B -0.4648
210 E B -1.5157
211 K B -1.1100
212 T B -0.9623
213 I B -0.4136
214 S B -1.1948
215 K B -1.2441
216 A B -1.3261
217 K B -2.3532
218 G B -1.9588
219 Q B -2.0959
220 P B -1.6659
221 R B -1.9140
222 E B -2.5247
223 P B 0.0000
224 Q B -1.2600
225 V B 0.0000
226 Y B 0.0000
227 T B -0.7860
228 L B 0.0000
229 P B -0.3925
230 P B -0.8642
231 S B -1.5198
232 R B -2.6480
233 D B -2.7847
234 E B 0.0000
235 L B -1.7571
236 T B -1.5614
237 K B -2.1437
238 N B -2.4093
239 Q B -2.1782
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 -0.5929
248 G B -1.0424
249 F B 0.0000
250 Y B -1.0520
251 P B 0.0000
252 S B -0.2756
253 D B -0.7488
254 I B 0.0000
255 A B 0.0000
256 V B 0.0000
257 E B -0.8321
258 W B 0.0000
259 E B -1.5352
260 S B 0.0000
261 N B -1.8361
262 G B -1.8142
263 Q B -2.2096
264 P B -1.7721
265 E B 0.0000
266 N B -1.9549
267 N B -1.4353
268 Y B 0.0000
269 K B -0.8530
270 T B 0.0000
271 T B 0.0000
272 P B -0.0937
273 P B 0.0185
274 V B 0.0557
275 L B -0.3253
276 D B -0.9760
277 S B -1.3680
278 D B -2.0018
279 G B -1.2415
280 S B 0.0000
281 F B -0.2194
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 -0.8497
289 V B 0.0000
290 D B -2.2529
291 K B -2.4521
292 S B -2.1562
293 R B -1.9493
294 W B 0.0000
295 Q B -2.3264
296 Q B -2.1379
297 G B -1.2488
298 N B -0.8420
299 V B 0.1643
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 -1.0092
308 A B -1.4269
309 L B -1.3599
310 H B -1.7204
311 N B -1.3870
312 H B -0.8499
313 Y B -0.3045
314 T B -0.5978
315 Q B -0.8861
316 K B -1.0171
317 S B -0.5057
318 L B 0.0000
319 S B -0.1917
320 L B -0.3570
321 S B -0.7134
322 P B -1.1036
323 G B -1.4182
324 K B -2.0313
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Laboratory of Theory of Biopolymers 2018