Project name: query_structure

Status: done

Started: 2026-03-17 00:20:06
Settings
Chain sequence(s) A: ARPVDVSVSIFINKIYGVNTLEQTYKVDGYIVAQWTGKPRKTPGDKPLIVENTQIERWINNGLWVPALEFINVVGSPDTGNKRLMLFPDGRVIYNARFLGSFSNDMDFRLFPFDRQQFVLELEPFSYNNQQLRFSDIQVYTENIDNEEIDEWWIRGKASTHISDIRYDHLNQNEFSRITVRIDAVRNPSYYLWSFILPLGLIIAASWSVFWLESFSERLQTSFTLMLTVVAYAFYTSNILPRLPYTTVIDQMIIAGYGSIFAAILLIIFAHHRQAVEDDLLIQRCRLAFPLGFLAIGCV
C: RPVDVSVSIFINKIYGVNTLEQTYKVDGYIVAQWTGKPRKTPGDKPLIVENTQIERWINNGLWVPALEFINVVGSPDTGNKRLMLFPDGRVIYNARFLGSFSNDMDFRLFPFDRQQFVLELEPFSYNNQQQLRFSDIQVYTENIDNEEIDEWWIRGKASTHISDIRYDHLSSVNQNEFSRITVRIDAVRNPSYYLWSFILPLGLIIAASWSVFWLESFSERLQTSFTLMLTVVAYAFYTSNILPRLPYTTVIDQMIIAGYGSIFAAILLIIFAHHRQANGVEDDLLIQRCRLAFPLGFLAIGCVL
B: RPVDVSVSIFINKIYGVNTLEQTYKVDGYIVAQWTGKPRKTPGDKPLIVENTQIERWINNGLWVPALEFINVVGSPDTGNKRLMLFPDGRVIYNARFLGSFSNDMDFRLFPFDRQQFVLELEPFSYNNQQLRFSDIQVYTENIDNEEIDEWWIRGKASTHISDIRYDHLSSVQPNQNEFSRITVRIDAVRNPSYYLWSFILPLGLIIAASWSVFWLESFSERLQTSFTLMLTVVAYAFYTSNILPRLPYTTVIDQMIIAGYGSIFAAILLIIFAHHRQANEDDLLIQRCRLAFPLGFLAIGCVL
E: RPVDVSVSIFINKIYGVNTLEQTYKVDGYIVAQWTGKPRKTPGDKPLIVENTQIERWINNGLWVPALEFINVVGSPDTGNKRLMLFPDGRVIYNARFLGSFSNDMDFRLFPFDRQQFVLELEPFSYNNQQLRFSDIQVYTENIDNEEIDEWWIRGKASTHISDIRYDHLSSVQPNQNEFSRITVRIDAVRNPSYYLWSFILPLGLIIAASWSVFWLESFSERLQTSFTLMLTVVAYAFYTSNILPRLPYTTVIDQMIIAGYGSIFAAILLIIFAHHREDDLLIQRCRLAFPLGFLAIGCVLVI
D: ARPVDVSVSIFINKIYGVNTLEQTYKVDGYIVAQWTGKPRKTPGDKPLIVENTQIERWINNGLWVPALEFINVVGSPDTGNKRLMLFPDGRVIYNARFLGSFSNDMDFRLFPFDRQQFVLELEPFSYNNQQLRFSDIQVYTNEEIDEWWIRGKASTHISDIRYDHLPNQNEFSRITVRIDAVRNPSYYLWSFILPLGLIIAASWSVFWLESFSERLQTSFTLMLTVVAYAFYTSNILPRLPYTTVIDQMIIAGYGSIFAAILLIIFAHHRQANEDDLLIQRCRLAFPLGFLAIGCVLVI
G: RPVDVSVSIFINKIYGVNTLEQTYKVDGYIVAQWTGKPRKTPGDKPLIVENTQIERWINNGLWVPALEFINVVGSPDTGNKRLMLFPDGRVIYNARFLGSFSNDMDFRLFPFDRQQFVLELEPFSYNNQQLRFSDIQVYTENIDNEEIDEWWIRGKASTHISDIRYDHPNQNEFSRITVRIDAVRNPSYYLWSFILPLGLIIAASWSVFWLESFSERLQTSFTLMLTVVAYAFYTSNILPRLPYTTVIDQMIIAGYGSIFAAILLIIFAHHRQANGVEDDLLIQRCRLAFPLGFLAIGCVLVI
F: RPVDVSVSIFINKIYGVNTLEQTYKVDGYIVAQWTGKPRKTPGDKPLIVENTQIERWINNGLWVPALEFINVVGSPDTGNKRLMLFPDGRVIYNARFLGSFSNDMDFRLFPFDRQQFVLELEPFSYNNQQLRFSDIQVYTENIDNEEIDEWWIRGKASTHISDIRPNQNEFSRITVRIDAVRNPSYYLWSFILPLGLIIAASWSVFWLESFSERLQTSFTLMLTVVAYAFYTSNILPRLPYTTVIDQMIIAGYGSIFAAILLIIFAHHRQANGVEDDLLIQRCRLAFPLGFLAIGC
I: RPVDVSVSIFINKIYGVNTLEQTYKVDGYIVAQWTGKPRKTPGDKPLIVENTQIERWINNGLWVPALEFINVVGSPDTGNKRLMLFPDGRVIYNARFLGSFSNDMDFRLFPFDRQQFVLELEPFSYNNQQLRFSDIQVYTENIDNEEIDEWWIRGKASTHISDIRYDHLSNQNEFSRITVRIDAVRNPSYYLWSFILPLGLIIAASWSVFWLESFSERLQTSFTLMLTVVAYAFYTSNILPRLPYTTVIDQMIIAGYGSIFAAILLIIFAHHRQVEDDLLIQRCRLAFPLGFLAIGCVLV
H: RPVDVSVSIFINKIYGVNTLEQTYKVDGYIVAQWTGKPRKTPGDKPLIVENTQIERWINNGLWVPALEFINVVGSPDTGNKRLMLFPDGRVIYNARFLGSFSNDMDFRLFPFDRQQFVLELEPFSYNNQQLRFSDIQVYTENIDNEEIDEWWIRGKASTHISDIRYDHLPNQNEFSRITVRIDAVRNPSYYLWSFILPLGLIIAASWSVFWLESFSERLQTSFTLMLTVVAYAFYTSNILPRLPYTTVIDQMIIAGYGSIFAAILLIIFAHHRQNVEDDLLIQRCRLAFPLGFLAIGCVLVI
K: QVQLQESGGGLVQAGGSLRLSCAASGFTFDDYTIGWFRQAPGKEREGVSLISSSLGSTYYADSVKGRITISRDNAKNTVYLQMNSLKPEDTAVYYCAAGRDADPTIFAILRSEYPFDYWGQGTQVTVSS
J: RPVDVSVSIFINKIYGVNTLEQTYKVDGYIVAQWTGKPRKTPGDKPLIVENTQIERWINNGLWVPALEFINVVGSPDTGNKRLMLFPDGRVIYNARFLGSFSNDMDFRLFPFDRQQFVLELEPFSYNNQQLRFSDIQVYTEEIDEWWIRGKASTHISDIRYDHNQNEFSRITVRIDAVRNPSYYLWSFILPLGLIIAASWSVFWLESFSERLQTSFTLMLTVVAYAFYTSNILPRLPYTTVIDQMIIAGYGSIFAAILLIIFAHHRQANGVEDDLLIQRCRLAFPLGFLAIGCVLVI
L: VQLQESGGGLVQAGGSLRLSCAASGFTFDDYTIGWFRQAPGKEREGVSLISSSLGSTYYADSVKGRITISRDNAKNTVYLQMNSLKPEDTAVYYCAAGRDADPTIFAILRSEYPFDYWGQGTQV
input PDB
Selected Chain(s) A,C,B,E,D,G,F,I,H,K,J,L
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                                        (00:00:08)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:42:30)
[INFO]       Main:     Simulation completed successfully.                                          (00:44:23)
Show buried residues

Minimal score value
-3.9624
Maximal score value
4.8242
Average score
-0.4293
Total score value
-1399.5663

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 -1.0528
10 R A -2.3589
11 P A -1.8932
12 V A -1.1120
13 D A -1.3497
14 V A 0.0000
15 S A -0.9292
16 V A 0.0000
17 S A -0.3996
18 I A 0.0000
19 F A 0.0167
20 I A 0.0000
21 N A -1.4683
22 K A -1.0635
23 I A -0.2974
24 Y A -0.3024
25 G A -0.4433
26 V A -0.2155
27 N A -0.6824
28 T A -0.4204
29 L A -0.3081
30 E A -0.8130
31 Q A -1.0160
32 T A 0.0000
33 Y A 0.0000
34 K A -0.6795
35 V A 0.0000
36 D A 0.0000
37 G A 0.0000
38 Y A 0.2493
39 I A 0.4655
40 V A 0.1750
41 A A 0.0000
42 Q A -0.6952
43 W A 0.0000
44 T A -1.4063
45 G A -1.5847
46 K A -2.2740
47 P A -2.1380
48 R A 0.0000
49 K A -2.7948
50 T A 0.0000
51 P A -1.8279
52 G A -2.2772
53 D A -3.5067
54 K A -3.0690
55 P A -1.6259
56 L A -0.5495
57 I A 0.3280
58 V A 0.0000
59 E A -0.5754
60 N A -1.0405
61 T A -0.8909
62 Q A -0.8018
63 I A 0.0000
64 E A -1.2265
65 R A -0.9526
66 W A 0.0000
67 I A -0.0647
68 N A 0.0000
69 N A 0.0000
70 G A -0.0951
71 L A 0.0000
72 W A 0.3050
73 V A 0.3994
74 P A 0.0000
75 A A 0.0212
76 L A 0.3265
77 E A 0.0000
78 F A 0.0000
79 I A 0.0896
80 N A 0.0000
81 V A 0.0000
82 V A -0.2035
83 G A -0.3991
84 S A -0.6666
85 P A -0.6917
86 D A -1.0671
87 T A -0.7515
88 G A -0.6422
89 N A -0.7203
90 K A -0.7958
91 R A 0.0000
92 L A 0.0000
93 M A 0.0894
94 L A 0.0000
95 F A 0.0000
96 P A -2.6595
97 D A -2.7110
98 G A 0.0000
99 R A -1.9473
100 V A 0.0000
101 I A 0.0000
102 Y A 0.0745
103 N A -0.0877
104 A A 0.0000
105 R A 0.0000
106 F A 0.0000
107 L A -0.5102
108 G A 0.0000
109 S A -0.4327
110 F A 0.0000
111 S A -0.7022
112 N A -1.3165
113 D A -2.6462
114 M A 0.0000
115 D A -1.7551
116 F A 0.0000
117 R A -0.0375
118 L A 1.3861
119 F A 0.0000
120 P A 0.0000
121 F A 1.4977
122 D A 0.0000
123 R A -1.7671
124 Q A 0.0000
125 Q A -1.8029
126 F A 0.0000
127 V A 0.0000
128 L A 0.0000
129 E A -0.4736
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 0.0000
136 N A 0.0000
137 N A -2.1052
138 Q A -2.6271
139 Q A -2.0123
140 L A 0.0000
141 R A -1.8998
142 F A 0.0000
143 S A -0.9521
144 D A -1.5396
145 I A 0.0000
146 Q A -1.2717
147 V A -0.5958
148 Y A -0.8060
149 T A -1.5823
150 E A -2.7151
151 N A -2.8537
152 I A -2.1583
153 D A -3.2333
154 N A -3.5899
155 E A -3.2434
156 E A -3.2271
157 I A 0.0000
158 D A -2.0873
159 E A -0.8128
160 W A 0.0000
161 W A -1.0781
162 I A -1.3722
163 R A -2.5907
164 G A -2.5066
165 K A -2.8399
166 A A -1.7180
167 S A -1.4190
168 T A -1.1180
169 H A -1.1341
170 I A -0.5153
171 S A -1.0454
172 D A -2.1598
173 I A -1.5535
174 R A -2.6042
175 Y A -1.5592
176 D A -2.0658
177 H A -1.1858
178 L A 0.2654
184 N A -2.1426
185 Q A -2.3950
186 N A -2.2051
187 E A -2.3700
188 F A -1.5982
189 S A 0.0000
190 R A -0.7291
191 I A 0.0000
192 T A -0.5881
193 V A 0.0000
194 R A -1.7324
195 I A 0.0000
196 D A -2.3361
197 A A 0.0000
198 V A -0.7015
199 R A 0.0000
200 N A 0.0000
201 P A 0.6352
202 S A 0.2658
203 Y A 0.0000
204 Y A 1.0284
205 L A 1.5338
206 W A 1.5478
207 S A 0.0000
208 F A 0.0000
209 I A 1.1580
210 L A 1.1324
211 P A 0.0000
212 L A 0.0000
213 G A 0.1126
214 L A 0.2778
215 I A 0.0000
216 I A 0.0000
217 A A 0.1131
218 A A 0.0000
219 S A 0.0000
220 W A 0.2411
221 S A 0.0000
222 V A 0.0000
223 F A 0.0000
224 W A -0.6981
225 L A 0.0000
226 E A -1.9067
227 S A -1.1207
228 F A 0.0000
229 S A -0.9074
230 E A -0.9435
231 R A 0.0000
232 L A 0.0000
233 Q A -0.5409
234 T A 0.0000
235 S A 0.0000
236 F A 0.0000
237 T A -0.0536
238 L A 0.0000
239 M A 0.0000
240 L A 0.1698
241 T A 0.0000
242 V A 0.0000
243 V A 0.0000
244 A A 0.0808
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 -0.1711
251 N A -0.3126
252 I A -0.0131
253 L A 0.0419
254 P A -0.2118
255 R A -0.4776
256 L A 0.0000
257 P A 0.0000
258 Y A 0.0000
259 T A 0.0420
260 T A 0.0000
261 V A 0.7227
262 I A 0.0000
263 D A -0.3456
264 Q A -0.6617
265 M A -0.2987
266 I A 0.0000
267 I A 0.0000
268 A A -0.0525
269 G A 0.0000
270 Y A 0.0000
271 G A 0.0709
272 S A 0.0000
273 I A 0.0000
274 F A 0.5893
275 A A 0.5569
276 A A 0.0000
277 I A 0.0000
278 L A 1.5415
279 L A 1.4396
280 I A 0.0000
281 I A 0.0000
282 F A 1.1570
283 A A 0.0000
284 H A 0.0000
285 H A -0.9236
286 R A -2.0928
287 Q A -1.9568
288 A A -0.9409
291 V A 0.2253
292 E A -1.6989
293 D A -0.9754
294 D A -0.4455
295 L A 1.2613
296 L A 1.5562
297 I A 0.8876
298 Q A -0.2213
299 R A -0.3177
300 C A 0.0000
301 R A -0.1289
302 L A 1.2900
303 A A 1.2578
304 F A 1.0478
305 P A 1.7247
306 L A 2.6030
307 G A 1.8166
308 F A 2.0618
309 L A 2.9741
310 A A 2.6176
311 I A 3.3302
312 G A 2.2544
313 C A 2.4297
314 V A 2.8524
10 R B -2.3335
11 P B -1.8324
12 V B -1.2739
13 D B -1.7425
14 V B 0.0000
15 S B -0.6954
16 V B 0.0000
17 S B -0.0979
18 I B 0.0000
19 F B 0.0885
20 I B 0.0000
21 N B -1.4045
22 K B -0.9660
23 I B -0.1635
24 Y B -0.2496
25 G B -0.3266
26 V B -0.1471
27 N B -0.5187
28 T B -0.2571
29 L B 0.0006
30 E B -0.7470
31 Q B -0.9083
32 T B 0.0000
33 Y B 0.0000
34 K B -0.4173
35 V B 0.0000
36 D B 0.0000
37 G B 0.0000
38 Y B 0.2141
39 I B 0.0000
40 V B 0.3396
41 A B 0.0000
42 Q B -0.6438
43 W B 0.0000
44 T B -1.4206
45 G B -1.9613
46 K B -2.7864
47 P B -3.0498
48 R B -3.8982
49 K B -3.5759
50 T B 0.0000
51 P B -2.0587
52 G B -2.2584
53 D B -3.7200
54 K B -3.0520
55 P B -1.7563
56 L B -0.7113
57 I B 0.2228
58 V B 0.0000
59 E B -0.5925
60 N B -1.0429
61 T B -0.9524
62 Q B -0.8679
63 I B 0.0000
64 E B -0.9799
65 R B -1.2986
66 W B -0.4590
67 I B -0.3139
68 N B -1.0365
69 N B -1.5709
70 G B -0.7789
71 L B -0.2019
72 W B 0.4764
73 V B 0.6122
74 P B 0.0000
75 A B 0.0768
76 L B 0.3376
77 E B 0.0000
78 F B 0.0000
79 I B 0.0728
80 N B 0.0000
81 V B 0.0000
82 V B -0.1970
83 G B -0.3889
84 S B -0.6352
85 P B -0.5575
86 D B -0.8951
87 T B -0.6595
88 G B -0.6505
89 N B -0.7947
90 K B -0.9956
91 R B -0.5425
92 L B 0.0000
93 M B 0.1512
94 L B 0.0000
95 F B -1.9714
96 P B -3.2790
97 D B -3.1813
98 G B 0.0000
99 R B -1.9014
100 V B 0.0000
101 I B 0.0000
102 Y B 0.1065
103 N B 0.0000
104 A B 0.0000
105 R B 0.0000
106 F B 0.0000
107 L B -0.4002
108 G B 0.0000
109 S B -0.2982
110 F B 0.0000
111 S B -0.6911
112 N B -1.3316
113 D B -2.4395
114 M B 0.0000
115 D B -1.7466
116 F B 0.0000
117 R B -0.1021
118 L B 1.2326
119 F B 0.0000
120 P B 0.0000
121 F B 1.0870
122 D B 0.0000
123 R B -1.6621
124 Q B 0.0000
125 Q B -1.4003
126 F B 0.0000
127 V B 0.0000
128 L B 0.0000
129 E B -0.4543
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 -0.3321
136 N B -1.0508
137 N B -1.4580
138 Q B -1.9086
139 Q B -1.8273
140 L B 0.0000
141 R B -1.5031
142 F B 0.0000
143 S B -0.8977
144 D B -0.9706
145 I B -0.4018
146 Q B -0.3657
147 V B 0.0000
148 Y B -0.5833
149 T B -1.2839
150 E B -2.5901
151 N B -2.6535
152 I B -1.9445
153 D B -2.8649
154 N B -3.0482
155 E B -2.3081
156 E B -2.4105
157 I B -2.0416
158 D B -1.7052
159 E B -0.7866
160 W B 0.0000
161 W B -0.8002
162 I B -1.1328
163 R B -2.2892
164 G B -2.4293
165 K B -2.3566
166 A B 0.0000
167 S B 0.0000
168 T B -0.9156
169 H B -0.6815
170 I B 0.0000
171 S B -0.5513
172 D B -0.5973
173 I B -0.3462
174 R B -1.2674
175 Y B -0.9764
176 D B -2.0336
177 H B -1.3158
178 L B -0.1125
179 S B 0.0981
180 S B 0.3276
181 V B 1.0084
182 Q B -0.5351
183 P B -0.8812
184 N B -1.8896
185 Q B -1.4191
186 N B -1.2525
187 E B 0.0000
188 F B -0.4506
189 S B 0.0000
190 R B -0.3220
191 I B 0.0000
192 T B -0.4093
193 V B 0.0000
194 R B -1.3052
195 I B 0.0000
196 D B -1.6381
197 A B 0.0000
198 V B -0.6130
199 R B 0.0000
200 N B 0.0000
201 P B 0.5396
202 S B 0.2859
203 Y B 0.4873
204 Y B 0.0000
205 L B 1.4637
206 W B 1.4541
207 S B 0.0000
208 F B 0.0000
209 I B 1.1496
210 L B 1.1109
211 P B 0.0000
212 L B 0.0000
213 G B 0.1413
214 L B 0.3176
215 I B 0.0000
216 I B 0.0000
217 A B 0.1430
218 A B 0.0000
219 S B 0.0000
220 W B 0.4052
221 S B 0.0000
222 V B 0.0000
223 F B 0.0000
224 W B -0.5723
225 L B 0.0000
226 E B -1.8654
227 S B -1.1856
228 F B 0.0000
229 S B -0.9192
230 E B -0.9312
231 R B 0.0000
232 L B 0.0000
233 Q B -0.5804
234 T B 0.0000
235 S B 0.0000
236 F B 0.0000
237 T B -0.0850
238 L B 0.0000
239 M B 0.0000
240 L B 0.1722
241 T B 0.0000
242 V B 0.0000
243 V B 0.0000
244 A B 0.0533
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 -0.3353
252 I B -0.1399
253 L B 0.0000
254 P B -0.1622
255 R B -0.3174
256 L B 0.0000
257 P B 0.0000
258 Y B 0.0000
259 T B 0.2740
260 T B 0.0000
261 V B 1.0680
262 I B 0.0000
263 D B 0.0000
264 Q B 0.2438
265 M B 0.2718
266 I B 0.0000
267 I B 0.0000
268 A B 0.3529
269 G B 0.0000
270 Y B 0.0000
271 G B 0.0563
272 S B 0.0000
273 I B 0.0000
274 F B 0.5916
275 A B 0.6366
276 A B 0.0000
277 I B 0.0000
278 L B 1.7800
279 L B 1.3369
280 I B 0.0000
281 I B 0.5959
282 F B 0.4539
283 A B 0.0000
284 H B -1.6745
285 H B -1.9212
286 R B -2.7754
287 Q B -2.6528
288 A B -1.7910
289 N B -2.4019
292 E B -3.2247
293 D B -2.1383
294 D B -0.8347
295 L B 1.1127
296 L B 1.4652
297 I B 0.7591
298 Q B 0.0000
299 R B -0.5598
300 C B 0.0000
301 R B 0.3644
302 L B 1.4803
303 A B 1.4116
304 F B 1.2245
305 P B 1.9616
306 L B 2.8048
307 G B 1.9505
308 F B 2.4854
309 L B 3.3999
310 A B 3.0253
311 I B 3.9106
312 G B 2.9563
313 C B 3.0555
314 V B 3.7480
315 L B 3.2536
10 R C -2.3717
11 P C -1.9088
12 V C -1.3440
13 D C -1.8417
14 V C 0.0000
15 S C -1.0044
16 V C 0.0000
17 S C -0.1133
18 I C 0.0000
19 F C 0.3561
20 I C 0.0000
21 N C -0.7964
22 K C -0.7143
23 I C -0.1534
24 Y C 0.0000
25 G C -0.4897
26 V C -0.2191
27 N C -0.6531
28 T C -0.4060
29 L C -0.3297
30 E C -0.9209
31 Q C -0.9958
32 T C 0.0000
33 Y C 0.0000
34 K C -0.6003
35 V C 0.0000
36 D C 0.0000
37 G C 0.0000
38 Y C 0.4516
39 I C 0.5892
40 V C 0.3904
41 A C 0.0000
42 Q C -0.7646
43 W C 0.0000
44 T C -1.5768
45 G C -1.8756
46 K C -2.5733
47 P C -2.5536
48 R C -2.4288
49 K C -2.7746
50 T C 0.0000
51 P C -1.6306
52 G C -1.9134
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Laboratory of Theory of Biopolymers 2018