Project name: 2d03_Y110T

Status: done

Started: 2026-04-21 06:45:48
Settings
Chain sequence(s) A: EVQLLESGGGLVQPGGSLRLSCAASGFTFSNAWMSWVRQAPGKGLEWVSSISVGGHRTYYADSVKGRSTISRDNSKNTLYLQMNSLRAEDTAVYYCARIRVGPSGGAFDTWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEGGGSGGGSSRGQYSREDNNCTHFPVGQSHMLLELRTAFSQVKTFFQTKDQLDNILLTDSLMQDFKGYLGCQALSEMIQFYLVEVMPQAEKHGPEIKEHLNSLGEKLKTLRMRLRRCHRFLPCENKSKAVEQVKSDFNKLQDQGVYKAMNEFDIFINCIEAYMMIKMKSHHHHHH
B: SELTQDPAVSVALGQTVRITCSGSNTNIGKNYVSWYQQKPGQAPVLVIYANSNRPSGIPDRFSGSSSGNTASLTITGAQAEDEADYYCASWDASLNGWVFGGGTKLTVLGQPKANPTVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADGSPVKAGVETTKPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPTECS
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]                                                (00:00:00)
[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                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:07:28)
[INFO]       Main:     Simulation completed successfully.                                          (00:07:33)
Show buried residues

Minimal score value
-3.5891
Maximal score value
1.232
Average score
-0.7373
Total score value
-449.0134

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 -1.9400
2 V A -1.0323
3 Q A -1.0047
4 L A 0.0000
5 L A 0.2691
6 E A -0.2422
7 S A -0.5812
8 G A -0.9869
9 G A -0.6641
10 G A -0.5241
11 L A -0.1378
12 V A 0.0000
13 Q A -1.6913
14 P A -1.7951
15 G A -1.5204
16 G A -1.1734
17 S A -1.3131
18 L A -1.0827
19 R A -1.8868
20 L A 0.0000
21 S A -0.4884
22 C A 0.0000
23 A A -0.3137
24 A A 0.0000
25 S A -0.7321
26 G A -1.1003
27 F A -0.6391
28 T A -0.5798
29 F A 0.0000
30 S A -1.2487
31 N A -1.0816
32 A A 0.0000
33 W A -0.0477
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 -0.7822
40 A A -1.1855
41 P A -0.9717
42 G A -1.4662
43 K A -2.2612
44 G A -1.5031
45 L A 0.0000
46 E A -0.9513
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 -0.6552
54 G A -1.2747
55 G A -1.3831
56 H A -1.8654
57 R A -1.9762
58 T A -0.8979
59 Y A -0.7116
60 Y A -0.9102
61 A A -1.4572
62 D A -2.4768
63 S A -1.7737
64 V A 0.0000
65 K A -2.5910
66 G A -1.7815
67 R A -1.5136
68 S A 0.0000
69 T A -0.8004
70 I A 0.0000
71 S A -0.7281
72 R A -0.9969
73 D A -1.6842
74 N A -1.8884
75 S A -1.6318
76 K A -2.3915
77 N A -1.7476
78 T A 0.0000
79 L A 0.0000
80 Y A -0.5079
81 L A 0.0000
82 Q A -1.1894
83 M A 0.0000
84 N A -1.5103
85 S A -1.3392
86 L A 0.0000
87 R A -2.3693
88 A A -1.7646
89 E A -2.2439
90 D A 0.0000
91 T A -0.7564
92 A A 0.0000
93 V A 0.1739
94 Y A 0.0000
95 Y A 0.0000
96 C A 0.0000
97 A A 0.0000
98 R A -0.3318
99 I A 0.0000
100 R A -0.0929
101 V A 1.0059
102 G A 0.3733
103 P A -0.0075
104 S A -0.2537
105 G A -0.0431
106 G A 0.3228
107 A A 0.0000
108 F A 0.0000
109 D A -0.1312
110 T A -0.2532
111 W A 0.0000
112 G A 0.0000
113 Q A -1.3597
114 G A -0.6057
115 T A -0.2089
116 L A -0.0344
117 V A 0.0000
118 T A -0.4598
119 V A 0.0000
120 S A -0.9885
121 S A -0.7372
122 A A -0.4387
123 S A -0.5866
124 T A -0.6672
125 K A -1.0841
126 G A -1.3075
127 P A 0.0000
128 S A -0.2357
129 V A 0.0000
130 F A 0.0000
131 P A -0.9669
132 L A 0.0000
133 A A -0.7932
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 -0.2532
141 G A 0.0000
142 G A 0.0000
143 T A -0.5585
144 A A 0.0000
145 A A -0.0084
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 -0.2189
153 Y A 0.0000
154 F A -0.1153
155 P A 0.0000
156 E A -0.3720
157 P A -0.6779
158 V A -0.6982
159 T A -0.6932
160 V A -0.3501
161 S A -0.3557
162 W A 0.0000
163 N A -0.6394
164 S A -0.5776
165 G A -0.4569
166 A A -0.2182
167 L A 0.0272
168 T A -0.2005
169 S A -0.2809
170 G A -0.3508
171 V A 0.1265
172 H A -0.1807
173 T A -0.0405
174 F A 0.0000
175 P A -0.3046
176 A A 0.0762
177 V A 0.0000
178 L A 0.9860
179 Q A 0.2005
180 S A -0.1720
181 S A -0.2049
182 G A 0.0433
183 L A 0.2194
184 Y A 0.4640
185 S A 0.0000
186 L A 0.0000
187 S A 0.0000
188 S A 0.0000
189 V A 0.1515
190 V A 0.0000
191 T A -0.1828
192 V A 0.0000
193 P A -0.7528
194 S A 0.0000
195 S A -0.8860
196 S A -0.7641
197 L A -1.0667
198 G A -1.1564
199 T A -0.7509
200 Q A -1.2986
201 T A -1.1193
202 Y A 0.0000
203 I A -0.9518
204 C A 0.0000
205 N A -1.2948
206 V A 0.0000
207 N A -2.1656
208 H A 0.0000
209 K A -2.8564
210 P A -1.5482
211 S A -1.8000
212 N A -2.6460
213 T A -2.1644
214 K A -2.7053
215 V A -1.4238
216 D A -1.9609
217 K A -1.7494
218 K A -2.0921
219 V A 0.0000
220 E A -2.5514
221 G A -1.6712
222 G A -1.1145
223 G A -0.9590
224 S A 0.0000
225 G A -0.6725
226 G A 0.0000
227 G A 0.0000
228 S A -1.4085
229 S A -1.6039
230 R A -2.2820
231 G A -1.7112
232 Q A -1.8565
233 Y A -1.3120
234 S A -1.6993
235 R A -2.6910
236 E A -3.0968
237 D A -3.4392
238 N A -2.8215
239 N A -2.3820
240 C A -1.3326
241 T A -0.6589
242 H A -1.0619
243 F A 0.0000
244 P A 0.6188
245 V A 1.2320
246 G A 0.0000
247 Q A 0.0000
248 S A 0.5677
249 H A 0.1453
250 M A 0.0000
251 L A 0.0000
252 L A 1.1612
253 E A 0.0000
254 L A 0.0000
255 R A -0.4196
256 T A -0.1627
257 A A 0.0000
258 F A 0.0000
259 S A -0.9060
260 Q A -0.9155
261 V A 0.0000
262 K A -1.1819
263 T A -0.8373
264 F A -0.4064
265 F A 0.0000
266 Q A -1.7359
267 T A -1.2858
268 K A -1.5477
269 D A -1.7555
270 Q A -1.9447
271 L A -0.9823
272 D A -1.7833
273 N A -0.8490
274 I A 0.5858
275 L A 0.0000
276 L A 0.0000
277 T A -0.8025
278 D A -1.9446
279 S A -1.7804
280 L A 0.0000
281 M A -1.6661
282 Q A -2.1550
283 D A -1.5082
284 F A 0.0000
285 K A -1.3875
286 G A -0.5684
287 Y A 0.7521
288 L A -0.4661
289 G A 0.0000
290 C A 0.0000
291 Q A -1.4469
292 A A 0.0000
293 L A 0.0000
294 S A -0.7284
295 E A -1.2883
296 M A 0.0000
297 I A 0.0000
298 Q A -0.4156
299 F A 0.0000
300 Y A 0.0000
301 L A -0.1247
302 V A -0.2407
303 E A -1.0444
304 V A 0.0000
305 M A 0.0000
306 P A 0.0000
307 Q A -1.5388
308 A A 0.0000
309 E A 0.0000
310 K A -2.2245
311 H A -1.5173
312 G A -1.7376
313 P A -1.8086
314 E A -2.0088
315 I A 0.0000
316 K A 0.0000
317 E A -0.6742
318 H A -0.6906
319 L A 0.0000
320 N A 0.0000
321 S A 0.0000
322 L A 0.0000
323 G A 0.0000
324 E A 0.0000
325 K A 0.0000
326 L A 0.0000
327 K A -0.2568
328 T A 0.0000
329 L A 0.0000
330 R A 0.0000
331 M A -0.6471
332 R A 0.0000
333 L A 0.0000
334 R A -1.8648
335 R A -2.7649
336 C A 0.0000
337 H A -2.3510
338 R A -2.1805
339 F A 0.0000
340 L A 0.0000
341 P A -1.7286
342 C A -1.6342
343 E A -2.8536
344 N A -3.1865
345 K A -3.4716
346 S A 0.0000
347 K A -3.2804
348 A A -2.3928
349 V A 0.0000
350 E A -3.5891
351 Q A -3.0094
352 V A 0.0000
353 K A -2.5992
354 S A -2.3147
355 D A -2.1851
356 F A 0.0000
357 N A -3.2156
358 K A -3.1230
359 L A -2.1778
360 Q A -3.0496
361 D A -2.8868
362 Q A -2.0583
363 G A 0.0000
364 V A 0.0000
365 Y A -1.1369
366 K A 0.0000
367 A A 0.0000
368 M A 0.0000
369 N A -0.6546
370 E A 0.0000
371 F A 0.0000
372 D A -0.6832
373 I A -0.1085
374 F A 0.0000
375 I A 0.0000
376 N A -1.1023
377 C A 0.0000
378 I A 0.0000
379 E A -0.5733
380 A A -0.5291
381 Y A 0.0000
382 M A 0.0000
383 M A 0.1178
384 I A -0.1527
385 K A -0.9438
386 M A -1.0149
387 K A -2.1406
388 S A -2.0813
389 H A -2.3779
390 H A -3.0282
391 H A -3.1936
392 H A -2.8985
393 H A -2.6544
394 H A -2.4802
1 S B -1.0699
2 E B -1.8371
3 L B 0.0000
4 T B -1.1843
5 Q B -1.2593
6 D B -2.1680
7 P B -1.5761
8 A B -1.0424
9 V B -0.6522
10 S B -0.0186
11 V B 0.0000
12 A B -0.0061
13 L B 0.0311
14 G B -0.7944
15 Q B -1.2159
16 T B -1.2137
17 V B 0.0000
18 R B -1.8477
19 I B 0.0000
20 T B -0.9692
21 C B 0.0000
22 S B -0.9369
23 G B -1.2270
24 S B -1.6009
25 N B -2.1286
26 T B -1.5309
27 N B 0.0000
28 I B 0.0000
29 G B -1.8922
30 K B -2.2127
31 N B -1.0419
32 Y B -0.0096
33 V B 0.0000
34 S B 0.0000
35 W B 0.0000
36 Y B 0.0000
37 Q B -0.2843
38 Q B -0.8077
39 K B -1.4900
40 P B -1.2186
41 G B -1.3766
42 Q B -1.4960
43 A B -0.7497
44 P B 0.0000
45 V B 0.9957
46 L B 0.0000
47 V B 0.0000
48 I B 0.0000
49 Y B -0.6184
50 A B -0.5113
51 N B -0.6005
52 S B -1.0222
53 N B -1.6139
54 R B -2.0489
55 P B -1.0318
56 S B -0.9382
57 G B -0.8573
58 I B -0.7799
59 P B -1.2817
60 D B -2.2397
61 R B -1.4574
62 F B 0.0000
63 S B -1.2673
64 G B -0.9199
65 S B -0.5946
66 S B -0.5341
67 S B -0.6952
68 G B -1.3039
69 N B -1.4366
70 T B -0.7469
71 A B 0.0000
72 S B 0.0000
73 L B 0.0000
74 T B -0.9852
75 I B 0.0000
76 T B -1.1842
77 G B -0.8445
78 A B 0.0000
79 Q B -1.1501
80 A B -1.1349
81 E B -2.2767
82 D B 0.0000
83 E B 0.0000
84 A B 0.0000
85 D B -1.5274
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 -0.3197
92 D B 0.0000
93 A B -0.6406
94 S B -0.2701
95 L B -0.2507
96 N B -0.9662
97 G B 0.0000
98 W B 0.0000
99 V B 0.0000
100 F B -0.4838
101 G B 0.0000
102 G B -1.6701
103 G B -1.4937
104 T B 0.0000
105 K B -1.8711
106 L B 0.0000
107 T B -0.0667
108 V B 0.0000
109 L B 0.5915
110 G B -0.1402
111 Q B 0.0000
112 P B -1.1217
113 K B -2.2774
114 A B -1.4128
115 N B -1.1164
116 P B 0.0000
117 T B -0.3260
118 V B 0.0000
119 T B -0.0293
120 L B 0.0000
121 F B 0.0000
122 P B -0.0432
123 P B 0.0000
124 S B 0.0000
125 S B -1.5269
126 E B -2.4307
127 E B 0.0000
128 L B -2.1355
129 Q B -2.3331
130 A B -1.8729
131 N B -2.5351
132 K B -2.2340
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 -0.5851
141 D B -1.4317
142 F B 0.0000
143 Y B -1.0877
144 P B -0.9094
145 G B -0.7999
146 A B -0.4400
147 V B -0.3037
148 T B -0.2842
149 V B 0.2226
150 A B -0.2481
151 W B 0.0000
152 K B -0.9313
153 A B 0.0000
154 D B -1.7705
155 G B -1.4546
156 S B -0.8805
157 P B -0.8910
158 V B -0.8688
159 K B -1.6604
160 A B -0.7985
161 G B -0.6038
162 V B -0.4706
163 E B -0.3525
164 T B -0.3914
165 T B -0.7793
166 K B -1.7411
167 P B -0.9303
168 S B -0.8200
169 K B -1.0833
170 Q B -1.1595
171 S B -1.5575
172 N B -1.8986
173 N B -1.5335
174 K B -1.3226
175 Y B -0.7864
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 -0.4178
183 L B -1.0005
184 T B -1.7188
185 P B -2.4080
186 E B -3.1349
187 Q B -2.3511
188 W B 0.0000
189 K B -3.1162
190 S B -2.4564
191 H B -2.4698
192 R B -2.6445
193 S B -1.8832
194 Y B 0.0000
195 S B 0.0000
196 C B 0.0000
197 Q B -0.1571
198 V B 0.0000
199 T B -0.4376
200 H B 0.0000
201 E B -2.2748
202 G B -1.3323
203 S B -0.8686
204 T B -0.4167
205 V B 0.0761
206 E B 0.0000
207 K B -0.1867
208 T B 0.0000
209 V B 0.0000
210 A B 0.0000
211 P B -1.0576
212 T B -0.8733
213 E B -0.3487
214 C B 0.1349
215 S B -0.3441
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Laboratory of Theory of Biopolymers 2018