Project name: query_structure

Status: done

Started: 2026-03-17 00:20:02
Settings
Chain sequence(s) A: ARPVDVSVSIFINKIYGVNTLEQTYKVDGYIVAQWTGKPRKTPGDKPLIVENTQIERWINNGLWVPALEFINVVGSPDTGNKRLMLFPDGRVIYNARFLGSFSNNDMDFRLFPFDRQQFVLELEPFSYNNQQLRFSDIQVYTENIDNEEIDEWWIRGKASTHISDIRYDHHLSSVQPNQNEFSRITVRIDAVRNPSYYLWSFILPLGLIIAASWSVFWLESFSERLQTSFTCMLTVVAYAFFYTSNILPRLPYTTVIDQMIIAGYGSIFAAILLIIFAHHRQAEDDLLIQRSRLAFPLGFLAIGSV
C: PVDARPVDVSVSIFINKIYGVNTLEQTYKVDGYIVAQWTGKPRKTPGDKPLIVENTQIERWINNGLWVPALEFINVVGSPDTGNKRLMLFPDGRVIYNARFLGSFSNNDMDFRLFPFDRQQFVLELEPFSYNNQQLRFSDIQVYTENIDNEEIDEWWIRGKASTHISDIRYDHLQPNQNEFSRITVRIDAVRNPSYYLWSFILPLGLIIAASWSVFWLESFSERLQTSFTCMLTVVAYAFYTSNILPRLPYTTVIDQMIIAGYGSIFAAILLIIFAHHRQADDLLIQRSRLAFPLGFLAIGSVLVI
B: PVDARPVDVSVSIFINKIYGVNTLEQTYKVDGYIVAQWTGKPRKTPGDKPLIVENTQIERWINNGLWVPALEFINVVGSPDTGNKRRLMLFPDGRVIYNARFLGSFSNNDMDFRLFPFDRQQFVLELEPFSYNNQQLRFSDIQVYTENIDNEEIDEWWIRGKASTHISDIRYDHLSSVQPNQNEFSRITVRIDAVRNPSYYLWSFILPLGLIIAASWSVFWLESFSERLQTSFTCMLTVVAYAFFYTSNILPRLPYTTVIDQMIIAGYGSIFAAILLIIFAHHRQANGVEDDLLIQRSRLAFPLGFLAIGSV
E: DARPVDVSVSIFINKIYGVNTLEQTYKVDGYIVAQWTGKPRKTPGDKPLIVENTQIERWINNGLWVPALEFINVVGSPDTGNKRLMLFPDGRVIYNARFLGSFSNNDMDFRLFPFDRQQFVLELEPFSYNNQQLRFSDIQVYTENIDNEEIDEWWIRGKASTHISDIRYDHLSSPNQNEFSRITVRIDAVRNPSYYLWSFILPLGLIIAASWSVFWLESFSERLQTSFTCMLTVVAYAFYTSNILPRLPYTTVIDQMIIAGYGSIFAAILLIIFAHHRDDLLIQRSRLAFPLGFLAIGSV
D: ARPVDVSVSIFINKIYGVNTLEQTYKVDGYIVAQWTGKPRKTPGDKPLIVENTQIERWINNGLWVPALEFINVVGSPDTGNKRLMLFPDGRVIYNARFLGSFSNDMDFRLFPFDRQQFVLELEPFSYNNQQLRFSDIQVYTENIDNEEIDEWWIRGKASTHISDIRYDHHLSPNQNEFSRITVRIDAVRNPSYYLWSFILPLGLIIAASWSVFWLESFSERLQTSFTCMLTVVAYAFYTSNILPRLPYTTVIDQMIIAGYGSIFAAILLIIFAHHRQDDLLIQRSRLAFPLGFLAIGSVLVIR
G: QLQESGGGLVQAGGSLRLSCAASGRIFSTNVMGWFRQAPGKEREFVATVGRIGGSTVYADFVKGRFTLSRDNAKNMVYLQMNSLKPEDTAVYYCGARIGGSDRLAPENYGYWGQGTQVTVSS
F: QVQLQESGGGLVQAGGSLRLSCAASGRIFSTNVMGWFRQAPGKEREFVATVGRIGGSTVYADFVKGRFTLSRDNAKNMVYLQMNSLKPEDTAVYYCGARIGGSDRLAPENYGYWGQGTQVTVSS
I: QLQESGGGLVQAGGSLRLSCAASGRIFSTNVMGWFRQAPGKEREFVATVGRIGGSTVYADFVKGRFTLSRDNAKNMVYLQMNSLKPEDTAVYYCGARIGGSDRLAPENYGYWGQGTQVTVS
H: VQLQESGGGLVQAGGSLRLSCAASGRIFSTNVMGWFRQAPGKEREFVATVGRIGGSTVYADFVKGRFTLSRDNAKNMVYLQMNSLKPEDTAVYYCGARIGGSDRLAPENYGYWGQGTQVTVS
J: QVQLQESGGGLVQAGGSLRLSCAASGRIFSTNVMGWFRQAPGKEREFVATVGRIGGSTVYADFVKGRFTLSRDNAKNMVYLQMNSLKPEDTAVYYCGARIGGSDRLAPENYGYWGQGTQVTVSS
input PDB
Selected Chain(s) A,C,B,E,D,G,F,I,H,J
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]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:03)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:29:19)
[INFO]       Main:     Simulation completed successfully.                                          (00:30:11)
Show buried residues

Minimal score value
-3.5557
Maximal score value
4.1142
Average score
-0.4109
Total score value
-875.6674

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
9 A A -1.0084
10 R A -2.2106
11 P A -1.6077
12 V A -0.9619
13 D A -1.4984
14 V A 0.0000
15 S A -0.5926
16 V A 0.0000
17 S A -0.0952
18 I A 0.0000
19 F A 0.2478
20 I A 0.0000
21 N A -0.4129
22 K A -0.4013
23 I A -0.0206
24 Y A 0.0000
25 G A -0.3695
26 V A -0.1838
27 N A -0.5849
28 T A -0.2957
29 L A -0.0216
30 E A -0.6470
31 Q A -0.6333
32 T A 0.0000
33 Y A 0.0000
34 K A -0.5741
35 V A 0.0000
36 D A 0.0000
37 G A 0.0000
38 Y A 0.1407
39 I A 0.0000
40 V A 0.1753
41 A A 0.0000
42 Q A -0.3701
43 W A 0.0000
44 T A -1.1945
45 G A -1.4861
46 K A -2.3425
47 P A -2.3844
48 R A -2.2691
49 K A -2.7361
50 T A 0.0000
51 P A -1.5947
52 G A -1.8857
53 D A -2.8267
54 K A -2.7795
55 P A -1.5136
56 L A -0.5343
57 I A 0.1948
58 V A 0.0000
59 E A -0.7433
60 N A -1.1983
61 T A -1.0625
62 Q A -1.0758
63 I A 0.0000
64 E A -1.4979
65 R A -2.1060
66 W A -1.0135
67 I A -0.7776
68 N A -1.7452
69 N A -1.8458
70 G A -1.0057
71 L A -0.5411
72 W A 0.1936
73 V A 0.6023
74 P A 0.0000
75 A A 0.0700
76 L A 0.2878
77 E A 0.0000
78 F A 0.0000
79 I A 0.1871
80 N A -0.0661
81 V A 0.0000
82 V A -0.0722
83 G A -0.4202
84 S A -0.6518
85 P A -0.6871
86 D A -1.1027
87 T A -0.8101
88 G A -0.8034
89 N A -0.9169
90 K A -1.0791
91 R A -0.6331
92 L A 0.0000
93 M A 0.0659
94 L A 0.0000
95 F A 0.0000
96 P A -2.6750
97 D A -2.9582
98 G A 0.0000
99 R A -1.3887
100 V A 0.0000
101 I A 0.1646
102 Y A 0.1134
103 N A -0.2088
104 A A 0.0000
105 R A 0.0000
106 F A 0.0000
107 L A 0.0000
108 G A 0.0000
109 S A -0.4235
110 F A 0.0000
111 S A -0.5146
112 N A 0.0000
113 D A -1.3567
114 M A 0.0000
115 D A -1.3407
116 F A 0.0000
117 R A -0.0588
118 L A 1.4321
119 F A 0.0000
120 P A 0.0000
121 F A 1.6575
122 D A 0.0000
123 R A -1.4680
124 Q A 0.0000
125 Q A -0.7996
126 F A 0.0000
127 V A 0.0000
128 L A 0.0000
129 E A -0.1332
130 L A 0.0000
131 E A 0.0000
132 P A 0.0000
133 F A 0.0000
134 S A 0.0000
135 Y A -0.2544
136 N A 0.0000
137 N A 0.0000
138 Q A -1.7733
139 Q A -1.5564
140 L A 0.0000
141 R A -1.0744
142 F A 0.0000
143 S A -0.7142
144 D A -0.8133
145 I A -0.2448
146 Q A -0.3770
147 V A -0.0072
148 Y A -0.1794
149 T A -0.4646
150 E A -0.7681
151 N A -0.6668
152 I A -0.1306
153 D A -0.4324
154 N A -1.1242
155 E A -1.5080
156 E A -2.5080
157 I A -1.8458
158 D A -2.0546
159 E A -1.0446
160 W A 0.0000
161 W A -0.5665
162 I A -0.4402
163 R A -1.3376
164 G A -1.6231
165 K A -2.0363
166 A A -1.0445
167 S A -0.6354
168 T A -0.3389
169 H A -0.2466
170 I A -0.1678
171 S A 0.0000
172 D A 0.0000
173 I A 0.0000
174 R A -0.9249
175 Y A -0.9594
176 D A -2.0184
177 H A -1.3271
178 L A -0.4543
179 S A -0.8685
180 S A -0.3233
181 V A 0.8459
182 Q A -0.9435
183 P A -1.1215
184 N A -2.1109
185 Q A -1.3925
186 N A -1.3530
187 E A 0.0000
188 F A 0.0000
189 S A 0.0000
190 R A 0.0000
191 I A 0.0000
192 T A 0.0000
193 V A 0.0000
194 R A 0.0000
195 I A 0.0000
196 D A -1.1549
197 A A 0.0000
198 V A -0.2366
199 R A 0.0000
200 N A 0.0000
201 P A 0.6446
202 S A 0.3156
203 Y A 0.0000
204 Y A 1.1150
205 L A 1.5966
206 W A 1.4113
207 S A 0.0000
208 F A 0.0000
209 I A 1.2165
210 L A 1.1804
211 P A 0.0000
212 L A 0.0000
213 G A 0.2331
214 L A 0.3500
215 I A 0.0000
216 I A 0.0000
217 A A 0.1561
218 A A 0.0000
219 S A 0.0000
220 W A 0.3572
221 S A 0.0000
222 V A 0.0000
223 F A 0.0000
224 W A -0.4191
225 L A 0.0000
226 E A -1.6787
227 S A -0.9953
228 F A 0.0000
229 S A -0.7913
230 E A -0.9270
231 R A 0.0000
232 L A 0.0000
233 Q A -0.4944
234 T A 0.0000
235 S A 0.0000
236 F A 0.0000
237 T A -0.1187
238 C A 0.0000
239 M A 0.0000
240 L A 0.0000
241 T A 0.0000
242 V A 0.0000
243 V A 0.0000
244 A A 0.0079
245 Y A 0.0000
246 A A 0.0000
247 F A 0.0000
248 Y A 0.0000
249 T A 0.0000
250 S A -0.2294
251 N A -0.3970
252 I A -0.0753
253 L A -0.0429
254 P A -0.2398
255 R A -0.5763
256 L A 0.0000
257 P A 0.0000
258 Y A 0.0000
259 T A 0.0052
260 T A 0.0724
261 V A 0.8159
262 I A 0.0000
263 D A -0.3901
264 Q A -0.6345
265 M A -0.2113
266 I A 0.0000
267 I A 0.0000
268 A A -0.0323
269 G A 0.0000
270 Y A 0.0000
271 G A 0.0824
272 S A 0.0000
273 I A 0.0000
274 F A 0.6586
275 A A 0.7396
276 A A 0.0000
277 I A 0.0000
278 L A 2.0859
279 L A 1.5227
280 I A 0.0000
281 I A 0.8219
282 F A 0.7108
283 A A 0.0000
284 H A -1.1713
285 H A -1.6483
286 R A -2.7057
287 Q A -2.7862
288 A A -1.5835
292 E A -2.7904
293 D A -1.5878
294 D A -0.5172
295 L A 0.7924
296 L A 1.5471
297 I A 0.8540
298 Q A 0.0000
299 R A -0.6702
300 S A 0.2744
301 R A 0.0996
302 L A 1.3618
303 A A 1.0861
304 F A 1.0855
305 P A 1.8360
306 L A 2.5181
307 G A 1.8328
308 F A 2.0339
309 L A 2.7731
310 A A 2.3059
311 I A 2.9851
312 G A 1.7777
313 S A 1.5553
314 V A 2.2987
6 P B 0.1704
7 V B 0.5743
8 D B -1.4814
9 A B -1.4787
10 R B -2.3211
11 P B -1.7836
12 V B -0.9128
13 D B -1.2475
14 V B 0.0000
15 S B -0.6872
16 V B 0.0000
17 S B -0.1968
18 I B 0.0000
19 F B 0.0000
20 I B 0.0000
21 N B -0.3914
22 K B -0.4525
23 I B -0.0154
24 Y B -0.2254
25 G B -0.4239
26 V B -0.0979
27 N B -0.5450
28 T B -0.2767
29 L B -0.1121
30 E B -0.6743
31 Q B -0.6869
32 T B 0.0000
33 Y B 0.0000
34 K B -0.4705
35 V B 0.0000
36 D B 0.0000
37 G B 0.0000
38 Y B 0.1850
39 I B 0.2927
40 V B 0.0000
41 A B 0.0000
42 Q B -0.7443
43 W B 0.0000
44 T B -1.4080
45 G B -1.6301
46 K B -2.3720
47 P B -2.3176
48 R B -2.3126
49 K B -2.7955
50 T B 0.0000
51 P B -1.8586
52 G B -2.2520
53 D B -3.4674
54 K B -2.8844
55 P B -1.5175
56 L B -0.4637
57 I B 0.3805
58 V B 0.0000
59 E B -0.5631
60 N B -1.0746
61 T B -0.9355
62 Q B -0.9098
63 I B 0.0000
64 E B -1.2784
65 R B -1.7135
66 W B -0.7926
67 I B -0.7273
68 N B -1.7403
69 N B -1.8000
70 G B -1.0588
71 L B -0.5587
72 W B 0.0410
73 V B 0.5388
74 P B 0.0000
75 A B 0.0333
76 L B 0.3587
77 E B 0.0000
78 F B 0.0000
79 I B 0.2076
80 N B -0.0946
81 V B 0.0000
82 V B -0.1240
83 G B -0.4911
84 S B -0.7087
85 P B -0.6029
86 D B -0.9043
87 T B -0.6942
88 G B -0.6957
89 N B -0.7505
90 K B -0.9588
91 R B -0.4902
92 L B 0.0000
93 M B 0.3213
94 L B 0.0000
95 F B -1.6613
96 P B -2.6455
97 D B -2.5815
98 G B 0.0000
99 R B -1.9545
100 V B 0.0000
101 I B 0.0758
102 Y B 0.1893
103 N B 0.0000
104 A B 0.0000
105 R B 0.0000
106 F B 0.0000
107 L B -0.3488
108 G B 0.0000
109 S B -0.3368
110 F B 0.0000
111 S B -0.4526
112 N B 0.0000
113 D B -1.2341
114 M B 0.0000
115 D B -1.5711
116 F B 0.0000
117 R B -0.4713
118 L B 1.0177
119 F B 0.0000
120 P B 0.0000
121 F B 0.9855
122 D B 0.0000
123 R B -1.5883
124 Q B 0.0000
125 Q B -0.8242
126 F B 0.0000
127 V B 0.0000
128 L B 0.0000
129 E B -0.1941
130 L B 0.0000
131 E B 0.0000
132 P B 0.0000
133 F B 0.0000
134 S B 0.0000
135 Y B -0.3084
136 N B -0.9967
137 N B -1.4075
138 Q B -2.0257
139 Q B -1.4997
140 L B 0.0000
141 R B -1.0481
142 F B 0.0000
143 S B -0.6351
144 D B -0.8395
145 I B -0.3045
146 Q B -0.4391
147 V B -0.0002
148 Y B -0.0897
149 T B -0.4527
150 E B -0.7320
151 N B -0.6261
152 I B -0.0649
153 D B -0.4168
154 N B -0.9715
155 E B -1.1512
156 E B -1.7965
157 I B -1.5450
158 D B -1.4240
159 E B -0.8441
160 W B 0.0000
161 W B -0.3674
162 I B -0.2469
163 R B -1.2156
164 G B -1.5745
165 K B -1.9873
166 A B -0.9945
167 S B -0.6587
168 T B -0.3388
169 H B -0.2402
170 I B -0.2176
171 S B 0.0000
172 D B -0.8306
173 I B 0.0000
174 R B -0.9746
175 Y B -1.0102
176 D B -1.8429
177 H B -1.1804
178 L B -0.2378
179 S B -0.1006
180 S B 0.2753
181 V B 0.5066
182 Q B -0.9978
183 P B -1.2794
184 N B -2.2676
185 Q B -1.6292
186 N B -1.3559
187 E B 0.0000
188 F B -0.4112
189 S B 0.0000
190 R B 0.0000
191 I B 0.0000
192 T B 0.0000
193 V B 0.0000
194 R B 0.0000
195 I B 0.0000
196 D B -1.0666
197 A B 0.0000
198 V B -0.2704
199 R B 0.0000
200 N B 0.0000
201 P B 0.5319
202 S B 0.3720
203 Y B 0.6010
204 Y B 0.0000
205 L B 1.5880
206 W B 1.6645
207 S B 0.0000
208 F B 0.0000
209 I B 1.1937
210 L B 1.1551
211 P B 0.0000
212 L B 0.0000
213 G B 0.1716
214 L B 0.3329
215 I B 0.0000
216 I B 0.0000
217 A B 0.1135
218 A B 0.0000
219 S B 0.0000
220 W B 0.3952
221 S B 0.0000
222 V B 0.0000
223 F B 0.0000
224 W B -0.6002
225 L B 0.0000
226 E B -1.7643
227 S B -1.2784
228 F B 0.0000
229 S B -0.9204
230 E B -0.9515
231 R B 0.0000
232 L B 0.0000
233 Q B -0.5917
234 T B 0.0000
235 S B 0.0000
236 F B 0.0000
237 T B -0.1350
238 C B 0.0000
239 M B 0.0000
240 L B 0.0000
241 T B 0.0000
242 V B 0.0000
243 V B 0.0000
244 A B 0.0133
245 Y B 0.0000
246 A B 0.0000
247 F B 0.0000
248 Y B 0.0000
249 T B 0.0000
250 S B 0.0000
251 N B -0.4416
252 I B -0.1766
253 L B 0.0000
254 P B -0.1996
255 R B -0.3564
256 L B 0.0000
257 P B 0.0000
258 Y B 0.0000
259 T B -0.0122
260 T B 0.0000
261 V B 0.5809
262 I B 0.0000
263 D B -0.2411
264 Q B -0.5976
265 M B -0.2366
266 I B 0.0000
267 I B 0.0000
268 A B -0.0391
269 G B 0.0000
270 Y B 0.0000
271 G B 0.0642
272 S B 0.0000
273 I B 0.0000
274 F B 0.4386
275 A B 0.4542
276 A B 0.0000
277 I B 0.0000
278 L B 1.3148
279 L B 1.0611
280 I B 0.0000
281 I B 0.0000
282 F B 1.2243
283 A B 0.0000
284 H B -0.5567
285 H B -1.0806
286 R B -2.0646
287 Q B -2.2538
288 A B -1.3798
289 N B -1.8093
290 G B -0.9509
291 V B 0.1586
292 E B 0.0000
293 D B -1.4574
294 D B -0.2803
295 L B 0.5592
296 L B 1.2482
297 I B 0.6956
298 Q B 0.0000
299 R B -0.6010
300 S B 0.3337
301 R B 0.1893
302 L B 1.4466
303 A B 1.1906
304 F B 1.1696
305 P B 1.8709
306 L B 2.6475
307 G B 1.8674
308 F B 1.9938
309 L B 2.8035
310 A B 2.3626
311 I B 2.9748
312 G B 1.6716
313 S B 1.5161
314 V B 2.3140
6 P C 0.2018
7 V C 0.5681
8 D C -1.6625
9 A C -1.4374
10 R C -2.6277
11 P C -2.1404
12 V C -1.7282
13 D C -2.5095
14 V C 0.0000
15 S C -1.2206
16 V C 0.0000
17 S C -0.4784
18 I C 0.0000
19 F C 0.0769
20 I C 0.0000
21 N C -0.6579
22 K C -0.4950
23 I C -0.0484
24 Y C -0.1488
25 G C -0.3398
26 V C -0.1965
27 N C -0.7056
28 T C -0.4718
29 L C -0.3386
30 E C -0.8954
31 Q C -0.7402
32 T C 0.0000
33 Y C 0.0000
34 K C -0.6002
35 V C 0.0000
36 D C 0.0000
37 G C 0.0000
38 Y C 0.1973
39 I C 0.0000
40 V C 0.0573
41 A C 0.0000
42 Q C -0.9127
43 W C 0.0000
44 T C -1.6269
45 G C -1.8617
46 K C -2.6906
47 P C -2.4836
48 R C -2.4331
49 K C -2.9125
50 T C -2.3621
51 P C -1.8244
52 G C -2.2844
53 D C -3.5421
54 K C -3.1318
55 P C -1.6845
56 L C -0.5550
57 I C 0.1714
58 V C 0.0000
59 E C -0.7411
60 N C -1.1956
61 T C -1.0083
62 Q C -0.9374
63 I C 0.0000
64 E C -1.4281
65 R C -1.7969
66 W C -0.8060
67 I C -0.6507
68 N C -1.6570
69 N C -1.7598
70 G C -0.9425
71 L C -0.2112
72 W C 0.3607
73 V C 0.5750
74 P C 0.0000
75 A C 0.0106
76 L C 0.3114
77 E C 0.0000
78 F C 0.0000
79 I C 0.2104
80 N C -0.0448
81 V C 0.0000
82 V C -0.0747
83 G C -0.4000
84 S C -0.5896
85 P C -0.5774
86 D C -0.8804
87 T C -0.6486
88 G C -0.6631
89 N C -0.8121
90 K C -0.9247
91 R C -0.5916
92 L C 0.0000
93 M C 0.1414
94 L C 0.0000
95 F C -1.8294
96 P C -2.8488
97 D C -3.0575
98 G C 0.0000
99 R C -1.9743
100 V C 0.0000
101 I C -0.0122
102 Y C 0.1343
103 N C 0.0000
104 A C 0.0000
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Laboratory of Theory of Biopolymers 2018