Project name: Lad-GGGGSGGGGS-CrabTag

Status: done

Started: 2025-06-30 19:17:51
Settings
Chain sequence(s) A: QVQLVQSGAEVKKPGASVKVSCKASGLTIEDYYMHWVRQAPGQGLEWMGWIDPENGDTEYGPKFQGRVTMTRDTSINTAYMELSRLRSDDTAVYYCAVHNAHYGTWFAYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCGGGGSGGGGSPNFSGNWKIIRSENFEELLKVLGVNVMLRKIAVAAASKPAVEIKQEGDTFYIKTSTTVRTTEINFKVGEEFEEQTVDGRPCKSLVKWESENKMVCEQKLLKGEGPKTSWTRELTNDGELILTMTADDVVCTRVYVRE
B: DVVMTQSPLSLPVTLGQPASISCRSSQSLLHSSGNTYLEWYQQRPGQSPRPLIYKISTRFSGVPDRFSGSGSGTDFTLKISRVEAEDVGVYYCFQGSHVPYTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:15:14)
[INFO]       Main:     Simulation completed successfully.                                          (00:15:21)
Show buried residues

Minimal score value
-3.56
Maximal score value
1.7556
Average score
-0.7872
Total score value
-463.68

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 Q A -1.5361
2 V A -1.0327
3 Q A -1.3159
4 L A 0.0000
5 V A 0.5488
6 Q A 0.0000
7 S A -0.4545
8 G A -0.5004
9 A A -0.1734
10 E A -0.5302
11 V A 0.0455
12 K A -1.2886
13 K A -2.4378
14 P A -2.3609
15 G A -2.0064
16 A A -1.5130
17 S A -1.6782
18 V A 0.0000
19 K A -1.9438
20 V A 0.0000
21 S A -0.5081
22 C A 0.0000
23 K A -0.6021
24 A A 0.0000
25 S A -0.7675
26 G A -1.0519
27 L A -0.8677
28 T A -0.9535
29 I A 0.0000
30 E A -2.8326
31 D A -2.5659
32 Y A -1.2153
33 Y A -0.5044
34 M A 0.0000
35 H A 0.0000
36 W A 0.0000
37 V A 0.0000
38 R A 0.0000
39 Q A -0.5643
40 A A -0.9629
41 P A -0.9737
42 G A -1.2130
43 Q A -1.7335
44 G A -1.0926
45 L A 0.0000
46 E A -0.6408
47 W A 0.0000
48 M A 0.0000
49 G A 0.0000
50 W A -0.2487
51 I A 0.0000
52 D A -2.1412
53 P A 0.0000
54 E A -3.5600
55 N A -3.0049
56 G A -2.4582
57 D A -2.6503
58 T A -1.2796
59 E A -0.8820
60 Y A -0.6593
61 G A 0.0000
62 P A -1.6584
63 K A -2.2321
64 F A 0.0000
65 Q A -2.0902
66 G A -1.5974
67 R A -1.6038
68 V A 0.0000
69 T A -0.7289
70 M A 0.0000
71 T A -0.7651
72 R A -1.4823
73 D A -1.0730
74 T A -0.9607
75 S A 0.0230
76 I A 0.6300
77 N A -0.4112
78 T A 0.0000
79 A A 0.0000
80 Y A -0.6829
81 M A 0.0000
82 E A -1.2388
83 L A 0.0000
84 S A -1.7483
85 R A -2.6937
86 L A 0.0000
87 R A -3.3581
88 S A -2.3343
89 D A -2.5315
90 D A 0.0000
91 T A -0.8441
92 A A 0.0000
93 V A 0.3184
94 Y A 0.0000
95 Y A 0.0000
96 C A 0.0000
97 A A 0.0000
98 V A 0.0000
99 H A 0.0000
100 N A 0.0000
101 A A -0.1556
102 H A -0.5544
103 Y A 0.8352
104 G A 0.0940
105 T A 0.0000
106 W A 0.0000
107 F A 0.0000
108 A A 0.0577
109 Y A -0.0187
110 W A -0.1729
111 G A 0.0000
112 Q A -1.1870
113 G A -0.4271
114 T A 0.0000
115 L A 0.2345
116 V A 0.0000
117 T A 0.0000
118 V A 0.0000
119 S A -1.2751
120 S A -0.9167
121 A A -0.5904
122 S A -0.6609
123 T A -0.5453
124 K A -1.1929
125 G A -1.3952
126 P A 0.0000
127 S A -0.4499
128 V A 0.0000
129 F A 0.0000
130 P A -1.3529
131 L A 0.0000
132 A A -1.3451
133 P A 0.0000
134 S A -0.8751
135 S A -0.7070
136 K A -0.8473
137 S A 0.0000
138 T A -0.6116
139 S A -0.6560
140 G A -1.0928
141 G A -1.1142
142 T A -0.6231
143 A A 0.0000
144 A A 0.0000
145 L A 0.0000
146 G A 0.0000
147 C A 0.0000
148 L A 0.0000
149 V A 0.0000
150 K A 0.0000
151 D A -0.3539
152 Y A 0.0000
153 F A 0.0000
154 P A 0.0000
155 E A -0.4355
156 P A -0.7737
157 V A -0.8193
158 T A -0.7344
159 V A -0.4046
160 S A -0.3973
161 W A 0.0000
162 N A -0.6957
163 S A -0.6070
164 G A -0.4779
165 A A -0.2181
166 L A 0.0241
167 T A -0.1590
168 S A -0.1758
169 G A -0.1826
170 V A 0.1835
171 H A -0.2922
172 T A 0.0220
173 F A 0.0000
174 P A -0.4017
175 A A 0.1630
176 V A 0.4776
177 L A 1.2598
178 Q A 0.3458
179 S A -0.0239
180 S A -0.1608
181 G A 0.0690
182 L A 0.1417
183 Y A 0.4313
184 S A 0.0000
185 L A 0.0000
186 S A 0.0000
187 S A 0.0000
188 V A 0.0000
189 V A 0.0000
190 T A -0.0851
191 V A 0.0000
192 P A -0.6528
193 S A -0.6254
194 S A -0.5930
195 S A -0.4869
196 L A -0.7192
197 G A -0.9249
198 T A -0.6558
199 Q A -1.0821
200 T A -1.0666
201 Y A 0.0000
202 I A -1.2027
203 C A 0.0000
204 N A -1.4523
205 V A 0.0000
206 N A -2.3319
207 H A 0.0000
208 K A -2.8480
209 P A -1.6199
210 S A -1.8858
211 N A -2.6484
212 T A -2.1792
213 K A -2.7830
214 V A -1.5562
215 D A -2.2603
216 K A -1.9796
217 K A -2.4484
218 V A 0.0000
219 E A -2.8765
220 P A -1.8174
221 K A -2.2917
222 S A -1.2414
223 C A -0.7001
224 G A -0.8205
225 G A -0.9827
226 G A -1.0998
227 G A -1.1414
228 S A -1.0931
229 G A -1.2431
230 G A -1.2340
231 G A -1.2810
232 G A -1.1706
233 S A -1.1499
234 P A -1.3633
235 N A -1.5708
236 F A 0.0000
237 S A -1.6471
238 G A -1.9191
239 N A -2.5452
240 W A 0.0000
241 K A -2.4378
242 I A 0.0000
243 I A -0.6581
244 R A -1.9795
245 S A -1.9986
246 E A -2.9398
247 N A -2.5729
248 F A -2.0218
249 E A -3.3458
250 E A -3.2077
251 L A 0.0000
252 L A 0.0000
253 K A -2.7743
254 V A -1.6887
255 L A 0.0000
256 G A -1.3346
257 V A 0.0000
258 N A -0.4895
259 V A 1.0906
260 M A 1.7556
261 L A 1.6396
262 R A -0.3182
263 K A -0.3314
264 I A 1.7120
265 A A 0.8991
266 V A -0.1681
267 A A 0.0608
268 A A 0.1565
269 A A 0.0000
270 S A -0.9409
271 K A -1.8084
272 P A 0.0000
273 A A -1.2274
274 V A 0.0000
275 E A -1.8110
276 I A 0.0000
277 K A -2.4258
278 Q A 0.0000
279 E A -2.3708
280 G A 0.0000
281 D A 0.0000
282 T A -1.4146
283 F A 0.0000
284 Y A -1.7525
285 I A 0.0000
286 K A -1.8362
287 T A -1.0227
288 S A -0.6528
289 T A -0.1523
290 T A 0.4920
291 V A 1.6380
292 R A -0.0037
293 T A -0.5569
294 T A -1.4105
295 E A -2.5434
296 I A 0.0000
297 N A -2.2328
298 F A 0.0000
299 K A -1.2354
300 V A 0.0000
301 G A 0.0000
302 E A -0.7283
303 E A -1.2673
304 F A 0.0000
305 E A -2.6918
306 E A -2.3837
307 Q A -2.1250
308 T A 0.0000
309 V A -0.2227
310 D A -0.8652
311 G A -0.9878
312 R A -1.3165
313 P A -1.6523
314 C A 0.0000
315 K A -2.3136
316 S A 0.0000
317 L A -1.2381
318 V A 0.0000
319 K A -0.8500
320 W A -1.2412
321 E A -2.2290
322 S A -2.0243
323 E A -2.5875
324 N A -2.0045
325 K A -1.5970
326 M A 0.0000
327 V A -0.5389
328 C A 0.0000
329 E A -2.5526
330 Q A -2.6199
331 K A -3.2316
332 L A -2.1367
333 L A -1.2472
334 K A -2.1614
335 G A -2.0585
336 E A -2.8196
337 G A -2.2774
338 P A -2.1610
339 K A -3.3113
340 T A 0.0000
341 S A -1.3309
342 W A 0.0000
343 T A -0.3564
344 R A 0.0000
345 E A -0.9677
346 L A -1.1689
347 T A -1.5332
348 N A -2.4086
349 D A -2.5829
350 G A -1.9222
351 E A -1.3870
352 L A 0.0000
353 I A 0.1007
354 L A 0.0000
355 T A 0.1206
356 M A 0.4750
357 T A -0.7623
358 A A 0.0000
359 D A -2.5103
360 D A -2.2794
361 V A -1.1489
362 V A -0.2560
363 C A 0.0000
364 T A -0.7286
365 R A 0.0000
366 V A -0.5352
367 Y A 0.0000
368 V A -1.5088
369 R A -2.8760
370 E A -2.9921
1 D B -1.3423
2 V B 0.0000
3 V B 0.6800
4 M B 0.0000
5 T B -0.4108
6 Q B 0.0000
7 S B -0.1948
8 P B 0.3602
9 L B 1.1436
10 S B 0.2701
11 L B -0.0949
12 P B -0.8239
13 V B 0.0000
14 T B -0.9520
15 L B -0.4261
16 G B -1.1666
17 Q B -1.5871
18 P B -1.8399
19 A B 0.0000
20 S B -0.8410
21 I B 0.0000
22 S B -0.9533
23 C B 0.0000
24 R B -2.3495
25 S B 0.0000
26 S B -1.0142
27 Q B -1.5116
28 S B -0.8353
29 L B 0.0000
30 L B 0.8048
31 H B -0.0887
32 S B -0.3489
33 S B -0.4877
34 G B -0.4838
35 N B -0.4826
36 T B 0.0000
37 Y B -0.1009
38 L B 0.0000
39 E B 0.0000
40 W B 0.0000
41 Y B 0.0000
42 Q B 0.0000
43 Q B 0.0000
44 R B -1.2835
45 P B -1.1854
46 G B -1.5306
47 Q B -2.0139
48 S B -1.3726
49 P B 0.0000
50 R B -1.3863
51 P B -0.6814
52 L B 0.0000
53 I B 0.0000
54 Y B -0.3289
55 K B -1.0784
56 I B -0.6150
57 S B -0.7378
58 T B -0.7505
59 R B -1.3605
60 F B 0.0000
61 S B -0.6104
62 G B -0.8716
63 V B -1.0300
64 P B -1.3346
65 D B -2.4305
66 R B -2.2911
67 F B 0.0000
68 S B -1.3745
69 G B -0.9292
70 S B -0.9516
71 G B -1.0388
72 S B -0.6998
73 G B -0.6616
74 T B -1.4905
75 D B -2.2212
76 F B 0.0000
77 T B -1.1445
78 L B 0.0000
79 K B -2.0240
80 I B 0.0000
81 S B -2.3816
82 R B -2.9942
83 V B 0.0000
84 E B -2.3127
85 A B -1.5678
86 E B -2.2745
87 D B 0.0000
88 V B -0.8728
89 G B 0.0000
90 V B 0.0764
91 Y B 0.0000
92 Y B 0.0000
93 C B 0.0000
94 F B 0.0000
95 Q B 0.0000
96 G B 0.0000
97 S B 0.0000
98 H B -0.1079
99 V B 0.5410
100 P B -0.1883
101 Y B 0.3020
102 T B 0.0950
103 F B 0.0000
104 G B 0.0000
105 G B -0.3726
106 G B -0.2512
107 T B 0.0000
108 K B -0.3320
109 V B 0.0000
110 E B -0.8626
111 I B 0.0000
112 K B -1.6361
113 R B -1.0916
114 T B -0.5846
115 V B -0.6042
116 A B 0.0000
117 A B -0.4398
118 P B 0.0000
119 S B -0.0223
120 V B 0.0000
121 F B 0.0000
122 I B 0.0000
123 F B 0.0000
124 P B -0.6803
125 P B -0.8487
126 S B -1.9370
127 D B -3.2582
128 E B -3.2893
129 Q B 0.0000
130 L B -2.3391
131 K B -2.9303
132 S B -1.8185
133 G B -1.2451
134 T B -0.9610
135 A B 0.0000
136 S B 0.0000
137 V B 0.0000
138 V B 0.0000
139 C B 0.0000
140 L B 0.0000
141 L B 0.0000
142 N B 0.0000
143 N B -0.6229
144 F B 0.0000
145 Y B 0.0000
146 P B -1.7584
147 R B -2.6416
148 E B -2.9640
149 A B -2.0815
150 K B -2.1537
151 V B -1.0657
152 Q B -0.6644
153 W B 0.0000
154 K B -0.5777
155 V B 0.0000
156 D B -1.7631
157 N B -1.4663
158 A B -0.2514
159 L B 0.6734
160 Q B -0.3068
161 S B -0.6586
162 G B -1.2591
163 N B -1.5652
164 S B -1.4937
165 Q B -1.5200
166 E B -1.9353
167 S B -1.0602
168 V B -0.8506
169 T B -1.1364
170 E B -2.2504
171 Q B 0.0000
172 D B -1.8775
173 S B -1.9335
174 K B -2.1814
175 D B -1.5366
176 S B -1.6462
177 T B 0.0000
178 Y B 0.0000
179 S B 0.0000
180 L B 0.0000
181 S B 0.0000
182 S B 0.0000
183 T B -0.7699
184 L B 0.0000
185 T B -0.5889
186 L B -0.6810
187 S B -0.8458
188 K B -1.7850
189 A B -1.6118
190 D B -2.1353
191 Y B 0.0000
192 E B -3.1739
193 K B -3.3493
194 H B -2.6392
195 K B -2.7040
196 V B -1.0815
197 Y B 0.0000
198 A B 0.0000
199 C B 0.0000
200 E B -0.6917
201 V B 0.0000
202 T B -1.1115
203 H B 0.0000
204 Q B -1.7869
205 G B 0.0000
206 L B -0.3018
207 S B -0.4796
208 S B -0.4040
209 P B -0.5994
210 V B -0.1346
211 T B -0.4669
212 K B -0.8830
213 S B -0.5936
214 F B 0.0000
215 N B -1.4813
216 R B -2.1282
217 G B -1.7560
218 E B -1.9940
219 C B -0.8430
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Laboratory of Theory of Biopolymers 2018