Project name: 2D03_IL10_L178S_V45S

Status: done

Started: 2026-04-21 11:17:12
Settings
Chain sequence(s) A: EVQLLESGGGLVQPGGSLRLSCAASGFTFSNAWMSWVRQAPGKGLEWVSSISVGGHRTYYADSVKGRSTISRDNSKNTLYLQMNSLRAEDTAVYYCARIRVGPSGGAFDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVSQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEGGGSGGGSSRGQYSREDNNCTHFPVGQSHMLLELRTAFSQVKTFFQTKDQLDNILLTDSLMQDFKGYLGCQALSEMIQFYLVEVMPQAEKHGPEIKEHLNSLGEKLKTLRMRLRRCHRFLPCENKSKAVEQVKSDFNKLQDQGVYKAMNEFDIFINCIEAYMMIKMKSHHHHHH
B: SELTQDPAVSVALGQTVRITCSGSNTNIGKNYVSWYQQKPGQAPSLVIYANSNRPSGIPDRFSGSSSGNTASLTITGAQAEDEADYYCASWDASLNGWVFGGGTKLTVLGQPKANPTVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADGSPVKAGVETTKPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPTECS
input PDB
Selected Chain(s) A,B
Distance of aggregation 10 Å
FoldX usage No
Dynamic mode No
Automated mutations No
Downloads Download all the data
Simulation log
[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:08)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:08)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:08)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:08)
[INFO]       runJob:   FoldX not utilized. Treating input pdb file as it was already optimized.    (00:00:08)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:08)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:14)
Show buried residues

Minimal score value
-3.294
Maximal score value
1.3295
Average score
-0.716
Total score value
-436.0375

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 E A -1.9741
2 V A -0.9461
3 Q A -0.8015
4 L A 0.0000
5 L A 0.7676
6 E A -0.0230
7 S A -0.4980
8 G A -1.0698
9 G A -0.7299
10 G A -0.5391
11 L A -0.0580
12 V A -0.6014
13 Q A -1.4668
14 P A -1.7708
15 G A -1.5309
16 G A -1.1587
17 S A -1.3186
18 L A -1.1192
19 R A -2.0412
20 L A 0.0000
21 S A -0.4564
22 C A 0.0000
23 A A -0.1842
24 A A 0.0000
25 S A -0.6752
26 G A -1.1079
27 F A -0.6381
28 T A -0.5762
29 F A 0.0000
30 S A -1.2014
31 N A -1.0347
32 A A 0.0000
33 W A -0.0527
34 M A 0.0000
35 S A 0.0000
36 W A 0.0000
37 V A 0.0000
38 R A 0.0000
39 Q A -0.8260
40 A A -1.2130
41 P A -0.9721
42 G A -1.4676
43 K A -2.2767
44 G A -1.4649
45 L A 0.0000
46 E A -1.1213
47 W A 0.0000
48 V A 0.0000
49 S A 0.0000
50 S A 0.0000
51 I A 0.0000
52 S A 0.0000
53 V A -0.5968
54 G A -1.2426
55 G A -1.3735
56 H A -1.8998
57 R A -2.0545
58 T A -0.9149
59 Y A -0.6852
60 Y A -0.8791
61 A A -1.4902
62 D A -2.5032
63 S A -1.8170
64 V A 0.0000
65 K A -2.5822
66 G A -1.7782
67 R A -1.5071
68 S A 0.0000
69 T A -0.8195
70 I A 0.0000
71 S A -0.7329
72 R A -0.9944
73 D A -1.6716
74 N A -1.8870
75 S A -1.6519
76 K A -2.4512
77 N A -1.8830
78 T A -1.0927
79 L A 0.0000
80 Y A -0.5782
81 L A 0.0000
82 Q A -1.2543
83 M A 0.0000
84 N A -1.5762
85 S A -1.3810
86 L A 0.0000
87 R A -2.5101
88 A A -1.8107
89 E A -2.3081
90 D A 0.0000
91 T A -0.7683
92 A A 0.0000
93 V A 0.1732
94 Y A 0.0000
95 Y A 0.0000
96 C A 0.0000
97 A A 0.0000
98 R A -0.0656
99 I A 0.0000
100 R A -0.1531
101 V A 0.9562
102 G A 0.3897
103 P A 0.0267
104 S A -0.2326
105 G A -0.0549
106 G A 0.2824
107 A A 0.0000
108 F A 0.0000
109 D A -0.0434
110 Y A 0.2311
111 W A 0.0058
112 G A 0.0000
113 Q A -1.1898
114 G A -0.5245
115 T A -0.1578
116 L A -0.0530
117 V A 0.0000
118 T A -0.4292
119 V A 0.0000
120 S A -0.9244
121 S A -0.6500
122 A A -0.4211
123 S A -0.5460
124 T A -0.6546
125 K A -1.0984
126 G A -1.2633
127 P A 0.0000
128 S A -0.1987
129 V A 0.0000
130 F A -0.2949
131 P A -0.7121
132 L A 0.0000
133 A A -0.7245
134 P A 0.0000
135 S A 0.0000
136 S A 0.0000
137 K A 0.0000
138 S A 0.0000
139 T A 0.0000
140 S A -0.3228
141 G A 0.0000
142 G A 0.0000
143 T A 0.0000
144 A A 0.0000
145 A A -0.0068
146 L A 0.0000
147 G A 0.0000
148 C A 0.0000
149 L A 0.0000
150 V A 0.0000
151 K A 0.0000
152 D A -0.4344
153 Y A 0.0000
154 F A -0.3062
155 P A 0.0000
156 E A -0.5342
157 P A -0.6369
158 V A -0.5811
159 T A -0.5575
160 V A -0.3055
161 S A -0.3492
162 W A 0.0000
163 N A -0.6842
164 S A -0.6289
165 G A -0.4062
166 A A -0.1965
167 L A 0.0367
168 T A -0.1866
169 S A -0.2803
170 G A -0.3498
171 V A 0.1585
172 H A -0.1394
173 T A -0.0225
174 F A 0.0000
175 P A -0.4699
176 A A -0.2534
177 V A 0.0000
178 S A -0.4105
179 Q A -0.5146
180 S A -0.5364
181 S A -0.5255
182 G A -0.5075
183 L A -0.2693
184 Y A -0.0954
185 S A 0.0000
186 L A 0.0000
187 S A 0.0000
188 S A 0.0000
189 V A 0.1688
190 V A 0.0000
191 T A -0.1712
192 V A 0.0000
193 P A -0.8719
194 S A 0.0000
195 S A -0.8543
196 S A -0.7780
197 L A -1.0884
198 G A -1.1693
199 T A -0.7812
200 Q A -1.3679
201 T A -1.1288
202 Y A 0.0000
203 I A -1.0348
204 C A 0.0000
205 N A -1.4180
206 V A 0.0000
207 N A -1.8247
208 H A 0.0000
209 K A -2.7477
210 P A -1.4956
211 S A -1.7440
212 N A -2.5636
213 T A -2.0442
214 K A -2.6671
215 V A -1.5941
216 D A -2.4313
217 K A -1.9072
218 K A -2.0895
219 V A 0.0000
220 E A -2.5293
221 G A -1.6424
222 G A -1.0550
223 G A -0.7962
224 S A 0.0000
225 G A -0.4597
226 G A 0.0000
227 G A 0.0000
228 S A -1.2342
229 S A -1.3222
230 R A -1.7271
231 G A -1.4672
232 Q A -1.8196
233 Y A -1.3168
234 S A -1.7827
235 R A -2.8954
236 E A -2.5282
237 D A -3.1067
238 N A -2.5137
239 N A -1.9836
240 C A -1.1724
241 T A -0.5984
242 H A -0.8531
243 F A 0.0000
244 P A 0.6746
245 V A 1.3295
246 G A 0.0000
247 Q A 0.0000
248 S A 0.5017
249 H A 0.1872
250 M A 0.0000
251 L A 0.0000
252 L A 1.1531
253 E A 0.0000
254 L A 0.0000
255 R A -0.4351
256 T A -0.1798
257 A A 0.0000
258 F A 0.0000
259 S A -0.9611
260 Q A -1.0275
261 V A 0.0000
262 K A -1.0707
263 T A -0.7277
264 F A -0.3770
265 F A 0.0000
266 Q A -1.2992
267 T A -1.0939
268 K A -1.4582
269 D A -1.6798
270 Q A -1.9267
271 L A -1.0025
272 D A -1.7621
273 N A -0.7783
274 I A 0.9818
275 L A 0.0000
276 L A 0.0000
277 T A -0.6868
278 D A -1.8863
279 S A -1.7716
280 L A 0.0000
281 M A -1.5945
282 Q A -2.0836
283 D A -1.4147
284 F A 0.0000
285 K A -1.1260
286 G A -0.4149
287 Y A 0.8658
288 L A -0.2908
289 G A 0.0000
290 C A 0.0000
291 Q A 0.0000
292 A A 0.0000
293 L A 0.0000
294 S A -0.6443
295 E A -1.0555
296 M A 0.0000
297 I A 0.0000
298 Q A -0.2637
299 F A 0.0000
300 Y A 0.0000
301 L A -0.0363
302 V A -0.1135
303 E A -0.6587
304 V A 0.0000
305 M A 0.0000
306 P A 0.0000
307 Q A -1.3295
308 A A 0.0000
309 E A 0.0000
310 K A -2.0249
311 H A -1.3825
312 G A 0.0000
313 P A -1.5557
314 E A -1.9803
315 I A 0.0000
316 K A 0.0000
317 E A -0.6119
318 H A -0.7103
319 L A 0.0000
320 N A 0.0000
321 S A 0.0000
322 L A 0.0000
323 G A -0.0710
324 E A 0.0000
325 K A 0.0000
326 L A 0.0000
327 K A -0.1037
328 T A 0.0000
329 L A 0.0000
330 R A 0.0000
331 M A -0.4641
332 R A 0.0000
333 L A 0.0000
334 R A -1.8034
335 R A -2.4259
336 C A 0.0000
337 H A -2.2636
338 R A -2.1322
339 F A 0.0000
340 L A 0.0000
341 P A -1.6771
342 C A -1.5817
343 E A -2.8098
344 N A -3.1266
345 K A -3.2940
346 S A 0.0000
347 K A -2.9834
348 A A -2.1041
349 V A 0.0000
350 E A -2.8099
351 Q A -2.6199
352 V A 0.0000
353 K A -2.1065
354 S A -2.0521
355 D A -2.0632
356 F A 0.0000
357 N A -3.1594
358 K A -3.1365
359 L A -2.2285
360 Q A -3.0857
361 D A -2.9164
362 Q A -2.1466
363 G A 0.0000
364 V A 0.0000
365 Y A -1.0665
366 K A 0.0000
367 A A 0.0000
368 M A 0.0000
369 N A -0.4640
370 E A 0.0000
371 F A 0.0000
372 D A -0.5697
373 I A 0.0504
374 F A 0.0000
375 I A 0.0000
376 N A -0.9581
377 C A 0.0000
378 I A 0.0000
379 E A -0.5687
380 A A 0.0000
381 Y A 0.0000
382 M A 0.0000
383 M A 0.5607
384 I A 0.0907
385 K A -0.8378
386 M A -0.8196
387 K A -2.0426
388 S A -2.1232
389 H A -2.4064
390 H A -3.0667
391 H A -3.2395
392 H A -2.9373
393 H A -2.6851
394 H A -2.5013
1 S B -1.1543
2 E B -1.8828
3 L B 0.0000
4 T B -1.1252
5 Q B 0.0000
6 D B -2.1710
7 P B -1.5969
8 A B -1.1488
9 V B -0.7574
10 S B -0.1228
11 V B 0.0000
12 A B -0.0073
13 L B 0.0501
14 G B -0.8664
15 Q B -1.2678
16 T B -1.2472
17 V B 0.0000
18 R B -1.8555
19 I B 0.0000
20 T B -0.9382
21 C B 0.0000
22 S B -1.0105
23 G B -1.3662
24 S B -1.7711
25 N B -2.3203
26 T B -1.6569
27 N B 0.0000
28 I B 0.0000
29 G B -2.2309
30 K B -2.3726
31 N B -1.1670
32 Y B -0.1102
33 V B 0.0000
34 S B 0.0000
35 W B 0.0000
36 Y B 0.0000
37 Q B -0.7037
38 Q B -1.1227
39 K B -1.6983
40 P B -1.2581
41 G B -1.5060
42 Q B -1.8969
43 A B -1.0810
44 P B 0.0000
45 S B -0.2468
46 L B 0.0000
47 V B 0.0000
48 I B 0.0000
49 Y B -0.5602
50 A B -0.4884
51 N B -0.5827
52 S B -0.9240
53 N B -1.3888
54 R B -1.7998
55 P B -1.0619
56 S B -0.8848
57 G B -0.8335
58 I B -0.8804
59 P B -1.2478
60 D B -2.1905
61 R B -1.4236
62 F B 0.0000
63 S B -1.2041
64 G B -0.8667
65 S B -0.5644
66 S B -0.6275
67 S B -0.8107
68 G B -1.5183
69 N B -1.8150
70 T B -0.9202
71 A B 0.0000
72 S B -0.7272
73 L B 0.0000
74 T B -0.9763
75 I B 0.0000
76 T B -1.1976
77 G B -0.9223
78 A B 0.0000
79 Q B -1.3164
80 A B -1.1748
81 E B -2.2345
82 D B 0.0000
83 E B 0.0000
84 A B 0.0000
85 D B -1.2228
86 Y B 0.0000
87 Y B 0.0000
88 C B 0.0000
89 A B 0.0000
90 S B 0.0000
91 W B -0.3566
92 D B 0.0000
93 A B -0.7056
94 S B -0.3615
95 L B -0.4211
96 N B -1.0361
97 G B 0.0000
98 W B 0.0000
99 V B 0.0000
100 F B -0.5058
101 G B 0.0000
102 G B -1.6335
103 G B 0.0000
104 T B 0.0000
105 K B -2.1445
106 L B 0.0000
107 T B -0.1191
108 V B 0.0000
109 L B 0.6151
110 G B -0.1122
111 Q B -0.5389
112 P B -1.0826
113 K B -2.0268
114 A B -1.2340
115 N B -0.9179
116 P B 0.0000
117 T B -0.2221
118 V B 0.0000
119 T B 0.0031
120 L B 0.0000
121 F B 0.0000
122 P B 0.0000
123 P B 0.0000
124 S B 0.0000
125 S B -1.2165
126 E B -1.7539
127 E B 0.0000
128 L B -2.0979
129 Q B -2.2004
130 A B -1.8678
131 N B -2.7308
132 K B -2.7299
133 A B 0.0000
134 T B 0.0000
135 L B 0.0000
136 V B 0.0000
137 C B 0.0000
138 L B 0.0000
139 I B 0.0000
140 S B -0.4691
141 D B -1.1544
142 F B 0.0000
143 Y B -1.0228
144 P B -0.8868
145 G B -0.7913
146 A B -0.4277
147 V B -0.2872
148 T B -0.2639
149 V B 0.2335
150 A B -0.2139
151 W B 0.0000
152 K B -0.9859
153 A B 0.0000
154 D B -1.8746
155 G B -1.5070
156 S B -1.0217
157 P B -0.9397
158 V B -0.8749
159 K B -1.6251
160 A B -0.7664
161 G B -0.5584
162 V B -0.3495
163 E B -0.5258
164 T B -0.5512
165 T B -1.0177
166 K B -1.7617
167 P B -0.9999
168 S B -0.8757
169 K B -1.1365
170 Q B -1.1702
171 S B -1.5304
172 N B -1.7684
173 N B -1.5614
174 K B -1.3866
175 Y B -0.8019
176 A B 0.0000
177 A B 0.0000
178 S B 0.0000
179 S B 0.0000
180 Y B 0.0000
181 L B 0.0000
182 S B -0.4555
183 L B -1.1187
184 T B -1.9232
185 P B -2.5851
186 E B -3.2350
187 Q B -2.4063
188 W B 0.0000
189 K B -2.9734
190 S B -2.2809
191 H B -2.1647
192 R B -1.8925
193 S B 0.0000
194 Y B 0.0000
195 S B 0.0000
196 C B 0.0000
197 Q B -0.1173
198 V B 0.0000
199 T B -0.4051
200 H B 0.0000
201 E B -2.0677
202 G B -1.2548
203 S B -0.7686
204 T B -0.3420
205 V B 0.1322
206 E B 0.0000
207 K B 0.0000
208 T B 0.0000
209 V B 0.0000
210 A B 0.0000
211 P B -0.8403
212 T B -0.6822
213 E B -0.2106
214 C B 0.3897
215 S B -0.2216
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Laboratory of Theory of Biopolymers 2018