Project name: 24810646d312156

Status: done

Started: 2026-03-03 09:08:15
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]                                                (00:00:02)
[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                                          (00:12:46)
[INFO]       Main:     Simulation completed successfully.                                          (00:12:56)
Show buried residues

Minimal score value
-3.0796
Maximal score value
1.8034
Average score
-0.7095
Total score value
-459.7871

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 -1.4192
2 A A -0.7909
3 S A -0.4292
4 C A -0.0825
5 E A -1.0669
6 Y A 0.5997
7 S A -0.0093
8 A A -0.1070
9 S A -0.4837
10 H A -0.8754
11 K A -0.9909
12 Q A -0.8755
13 D A -0.5809
14 L A 0.0000
15 L A 0.6571
16 L A 0.4340
17 G A -0.5011
18 S A -0.4013
19 T A -0.6340
20 G A -0.2845
21 S A 0.0556
22 I A 0.0000
23 S A -0.1955
24 C A 0.0000
25 P A 0.0000
26 S A -0.2805
27 L A 0.0000
28 S A -0.0940
29 C A 0.2651
30 Q A -0.7028
31 S A -1.0162
32 D A -1.4303
33 A A -1.6939
34 Q A -1.7745
35 S A -1.2014
36 P A -0.9835
37 A A -0.5627
38 V A 0.0000
39 T A 0.0322
40 W A 0.0000
41 Y A 0.0000
42 K A 0.0000
43 N A -0.1420
44 G A -0.1220
45 K A -0.3486
46 L A 0.7998
47 L A 0.6669
48 S A 0.5821
49 V A 0.8862
50 E A 0.2449
51 R A -0.4256
52 S A -0.4514
53 N A 0.0000
54 R A -0.5376
55 I A 0.0000
56 V A 0.9904
57 V A 0.0000
58 D A -1.6691
59 E A -1.1062
60 V A 0.0000
61 Y A -0.8535
62 D A -1.6027
63 Y A -0.8196
64 H A -0.7024
65 Q A -1.0730
66 G A -0.5841
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 -0.3148
74 Q A -1.1162
75 S A -1.0984
76 D A -1.5441
77 T A -0.1758
78 V A 1.0539
79 S A 0.0029
80 S A -0.3406
81 W A -0.1114
82 T A -0.0467
83 V A 0.0659
84 R A -0.1745
85 A A 0.0000
86 V A -0.1175
87 V A 0.0000
88 Q A -0.5683
89 V A 0.0000
90 R A -0.8525
91 T A 0.0000
92 I A 0.6470
93 V A 1.4883
94 G A -0.3986
95 D A -2.3662
96 T A -1.8292
97 K A -3.0062
98 D A -2.8860
99 K A -2.9745
100 T A -1.9198
101 H A -2.1778
102 T A -1.2324
103 C A -0.6627
104 P A -0.3882
105 P A 0.0071
106 C A 0.3383
107 P A -0.6333
108 A A -0.8656
109 P A -1.3337
110 E A -2.0605
111 A A -1.1717
112 A A -0.7905
113 G A -1.0026
114 G A -1.0286
115 P A 0.0000
116 S A -0.2302
117 V A 0.0000
118 F A -0.1534
119 L A 0.0000
120 F A 0.0000
121 P A -0.1151
122 P A 0.0000
123 K A 0.0000
124 P A -0.2768
125 K A 0.0419
126 D A 0.0000
127 T A 0.0000
128 L A 0.0000
129 M A 0.8450
130 I A 1.8034
131 S A 0.8298
132 R A 0.0000
133 T A 0.3631
134 P A 0.0000
135 E A -0.5615
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 -1.1852
143 V A 0.0000
144 S A -1.9995
145 H A -2.6145
146 E A -2.9789
147 D A -2.5889
148 P A -2.5967
149 E A -3.0796
150 V A -1.9212
151 K A -2.2240
152 F A -1.2322
153 N A -1.1483
154 W A 0.0000
155 Y A -0.7046
156 V A -0.9130
157 D A -2.1769
158 G A -0.9034
159 V A 0.5753
160 E A -0.6672
161 V A -0.5430
162 H A -1.8794
163 N A -2.1827
164 A A -1.8426
165 K A -2.4033
166 T A -1.8624
167 K A -1.9442
168 P A -1.9285
169 R A -2.7058
170 E A -2.5391
171 E A -2.6798
172 Q A 0.0000
173 Y A -0.2837
174 N A -0.5815
175 S A -0.9201
176 T A -1.5965
177 Y A -1.9066
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 -0.5651
185 V A 0.0000
186 L A 0.6089
187 H A 0.0000
188 Q A -1.1231
189 D A -1.4931
190 W A 0.0000
191 L A -0.9945
192 N A -2.0803
193 G A -2.0908
194 K A -2.2721
195 E A -2.2478
196 Y A 0.0000
197 K A -1.5420
198 C A 0.0000
199 K A -1.4306
200 V A 0.0000
201 S A -1.4645
202 N A 0.0000
203 K A -2.5961
204 A A -1.5384
205 L A -0.7310
206 G A -0.7607
207 A A -0.4988
208 P A -0.8762
209 I A -0.6033
210 E A -1.8408
211 K A -1.1658
212 T A -1.0898
213 I A -0.4110
214 S A -1.3087
215 K A -1.2270
216 A A -1.3173
217 K A -2.3265
218 G A -2.0058
219 Q A -2.2130
220 P A -1.9109
221 R A -2.3633
222 E A -2.7504
223 P A 0.0000
224 Q A -1.2992
225 V A 0.0000
226 Y A 0.0000
227 T A -0.8264
228 L A 0.0000
229 P A -0.3898
230 P A -0.8555
231 S A 0.0000
232 R A -2.6658
233 D A -2.8055
234 E A 0.0000
235 L A -1.7804
236 T A -1.5341
237 K A -2.0850
238 N A -2.3893
239 Q A -2.1500
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 -0.5091
248 G A -1.0508
249 F A 0.0000
250 Y A -1.0949
251 P A 0.0000
252 S A -0.0496
253 D A -0.5331
254 I A -0.1784
255 A A -0.1418
256 V A 0.0000
257 E A -1.0542
258 W A 0.0000
259 E A -1.8875
260 S A 0.0000
261 N A -1.9039
262 G A -1.7963
263 Q A -2.2899
264 P A -1.9028
265 E A 0.0000
266 N A -2.1329
267 N A -1.4808
268 Y A -0.7949
269 K A -0.5353
270 T A -0.1409
271 T A 0.0000
272 P A 0.0000
273 P A 0.5128
274 V A 0.7935
275 L A 0.9784
276 D A -0.3673
277 S A -1.3126
278 D A -1.9062
279 G A -0.9110
280 S A 0.0000
281 F A 0.2545
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 -0.7981
289 V A 0.0000
290 D A -2.4024
291 K A -2.4630
292 S A -2.1691
293 R A -1.9575
294 W A 0.0000
295 Q A -2.3322
296 Q A -2.1166
297 G A -1.2458
298 N A -0.8731
299 V A -0.0092
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 -1.0312
308 A A -1.5675
309 L A -1.4694
310 H A -1.7671
311 N A -1.4806
312 H A -0.9517
313 Y A -0.5360
314 T A -0.9335
315 Q A -1.5254
316 K A -1.2758
317 S A -0.6790
318 L A 0.0000
319 S A -0.2073
320 L A -0.3477
321 S A -0.6406
322 P A -1.1095
323 G A -1.4127
324 K A -2.0347
1 N B -1.5055
2 A B -0.8942
3 S B -0.6052
4 C B -0.4847
5 E B -1.2597
6 Y B 0.4625
7 S B -0.1319
8 A B -0.2182
9 S B -0.5908
10 H B -1.3046
11 K B -1.2493
12 Q B -0.9558
13 D B -0.5545
14 L B 0.0000
15 L B 0.7159
16 L B 0.5524
17 G B -0.4618
18 S B -0.3765
19 T B -0.6458
20 G B -0.2740
21 S B 0.0633
22 I B 0.0000
23 S B -0.2140
24 C B 0.0000
25 P B 0.0000
26 S B -0.3450
27 L B 0.0000
28 S B -0.3244
29 C B -0.1564
30 Q B -1.1152
31 S B -1.2827
32 D B -1.7041
33 A B -1.8429
34 Q B -1.9341
35 S B -1.3674
36 P B -1.0565
37 A B -0.6140
38 V B 0.0000
39 T B 0.0463
40 W B 0.0000
41 Y B 0.0000
42 K B 0.0000
43 N B -0.0455
44 G B 0.0393
45 K B -0.0269
46 L B 1.0141
47 L B 0.7700
48 S B 0.6483
49 V B 0.9723
50 E B 0.3273
51 R B -0.4242
52 S B -0.4606
53 N B 0.0000
54 R B -0.5815
55 I B 0.0000
56 V B 0.9922
57 V B 0.0000
58 D B -1.7406
59 E B -1.1937
60 V B 0.0000
61 Y B -0.8794
62 D B -1.6273
63 Y B -0.8683
64 H B -0.7235
65 Q B -1.1179
66 G B -0.5971
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 -0.3266
74 Q B -1.1384
75 S B -1.1058
76 D B -1.5391
77 T B -0.1685
78 V B 1.0608
79 S B 0.0077
80 S B -0.3496
81 W B -0.1266
82 T B -0.0774
83 V B 0.0611
84 R B -0.2298
85 A B 0.0000
86 V B 0.0000
87 V B 0.0000
88 Q B -0.6847
89 V B 0.0000
90 R B -0.8456
91 T B -0.2380
92 I B 0.6574
93 V B 1.7043
94 G B -0.2300
95 D B -1.9848
96 T B -1.6395
97 K B -2.9469
98 D B -2.9495
99 K B -2.9695
100 T B -1.9398
101 H B -2.2103
102 T B -1.2257
103 C B -0.6255
104 P B -0.3571
105 P B 0.0600
106 C B 0.3547
107 P B -0.6313
108 A B -0.8506
109 P B -1.3458
110 E B -2.0628
111 A B -1.1608
112 A B -0.8005
113 G B -0.9936
114 G B -1.0053
115 P B 0.0000
116 S B -0.2033
117 V B 0.0000
118 F B -0.0949
119 L B 0.0000
120 F B 0.0000
121 P B -0.1046
122 P B 0.0000
123 K B 0.0000
124 P B -0.3215
125 K B 0.0237
126 D B 0.0000
127 T B 0.0000
128 L B 0.0000
129 M B 0.8279
130 I B 1.7858
131 S B 0.8259
132 R B 0.0000
133 T B 0.3073
134 P B 0.0000
135 E B -0.7458
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 -1.1002
143 V B 0.0000
144 S B -1.9337
145 H B -2.5658
146 E B -2.8695
147 D B -2.3755
148 P B -2.4943
149 E B -3.0155
150 V B -1.8876
151 K B -2.2139
152 F B -1.1388
153 N B -1.0913
154 W B 0.0000
155 Y B -0.6816
156 V B -0.8892
157 D B -2.1087
158 G B -0.8719
159 V B 0.5884
160 E B -0.6607
161 V B -0.5490
162 H B -1.8832
163 N B -2.1852
164 A B -1.8428
165 K B -2.3559
166 T B -1.7555
167 K B -1.7526
168 P B -1.8364
169 R B -2.6579
170 E B -2.5288
171 E B -2.7873
172 Q B 0.0000
173 Y B -0.1780
174 N B -0.4447
175 S B -0.8541
176 T B -1.5574
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 -0.6478
185 V B 0.0000
186 L B 0.5858
187 H B -0.0074
188 Q B -1.2118
189 D B -1.5218
190 W B 0.0000
191 L B -1.0268
192 N B -2.1062
193 G B -2.0895
194 K B -2.2368
195 E B -2.3215
196 Y B 0.0000
197 K B -1.4624
198 C B 0.0000
199 K B -1.2542
200 V B 0.0000
201 S B -1.4363
202 N B 0.0000
203 K B -2.5379
204 A B -1.4841
205 L B -0.7198
206 G B -0.7738
207 A B -0.5070
208 P B -0.8662
209 I B -0.4813
210 E B -1.6009
211 K B -1.0318
212 T B -1.0434
213 I B -0.4366
214 S B -1.3248
215 K B -1.2546
216 A B -1.3462
217 K B -2.3262
218 G B -2.0058
219 Q B -2.2134
220 P B -1.9324
221 R B -2.3912
222 E B -2.7978
223 P B 0.0000
224 Q B -1.3366
225 V B 0.0000
226 Y B 0.0000
227 T B -0.8334
228 L B 0.0000
229 P B -0.3938
230 P B -0.8622
231 S B 0.0000
232 R B -2.6753
233 D B -2.7822
234 E B 0.0000
235 L B -1.7194
236 T B -1.4481
237 K B -1.8792
238 N B -2.2695
239 Q B -2.0507
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 -0.5524
248 G B -1.1060
249 F B 0.0000
250 Y B -1.1553
251 P B 0.0000
252 S B -0.1584
253 D B -0.6669
254 I B -0.2348
255 A B -0.1881
256 V B 0.0000
257 E B -1.1062
258 W B 0.0000
259 E B -1.8923
260 S B 0.0000
261 N B -1.9086
262 G B -1.7964
263 Q B -2.2893
264 P B -1.9073
265 E B 0.0000
266 N B -2.1486
267 N B -1.4845
268 Y B -0.8439
269 K B -0.5675
270 T B -0.1520
271 T B 0.0000
272 P B 0.0000
273 P B 0.4148
274 V B 0.6240
275 L B 0.6710
276 D B -0.5016
277 S B -1.3287
278 D B -1.9287
279 G B -0.9695
280 S B 0.0000
281 F B 0.1071
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 -0.7881
289 V B 0.0000
290 D B -2.3035
291 K B -2.3660
292 S B -2.1244
293 R B -1.9711
294 W B 0.0000
295 Q B -2.1876
296 Q B -2.0726
297 G B -1.2294
298 N B -0.9048
299 V B -0.0323
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 -1.0869
308 A B -1.6345
309 L B 0.0000
310 H B -1.8374
311 N B -1.5032
312 H B -0.9690
313 Y B -0.6046
314 T B -0.9745
315 Q B -1.5174
316 K B -1.2963
317 S B -0.6837
318 L B 0.0000
319 S B -0.2040
320 L B -0.3349
321 S B -0.6297
322 P B -1.0941
323 G B -1.4149
324 K B -2.0353
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Laboratory of Theory of Biopolymers 2018