Project name: Lad-EAAAKEAAAK-CrabTag

Status: done

Started: 2025-06-30 16:03:20
Settings
Chain sequence(s) A: QVQLVQSGAEVKKPGASVKVSCKASGLTIEDYYMHWVRQAPGQGLEWMGWIDPENGDTEYGPKFQGRVTMTRDTSINTAYMELSRLRSDDTAVYYCAVHNAHYGTWFAYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCEAAAKEAAAKPNFSGNWKIIRSENFEELLKVLGVNVMLRKIAVAAASKPAVEIKQEGDTFYIKTSTTVRTTEINFKVGEEFEEQTVDGRPCKSLVKWESENKMVCEQKLLKGEGPKTSWTRELTNDGELILTMTADDVVCTRVYVRE
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                                          (00:13:41)
[INFO]       Main:     Simulation completed successfully.                                          (00:13:48)
Show buried residues

Minimal score value
-3.5594
Maximal score value
1.6336
Average score
-0.8562
Total score value
-504.3117

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 -1.3811
2 V A -0.7045
3 Q A -1.1842
4 L A 0.0000
5 V A 0.3927
6 Q A 0.0000
7 S A -0.5293
8 G A -0.5736
9 A A -0.1334
10 E A -0.6990
11 V A 0.0956
12 K A -1.2531
13 K A -2.3791
14 P A -2.4499
15 G A -2.0182
16 A A -1.6334
17 S A -1.7694
18 V A 0.0000
19 K A -2.0931
20 V A 0.0000
21 S A -0.5960
22 C A 0.0000
23 K A -0.5397
24 A A 0.0000
25 S A -0.6516
26 G A -0.9050
27 L A -0.7657
28 T A -0.9185
29 I A 0.0000
30 E A -2.7576
31 D A -2.5208
32 Y A -1.1747
33 Y A -0.4471
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 -0.5187
40 A A -0.9292
41 P A -0.9475
42 G A -1.2133
43 Q A -1.7285
44 G A -1.0559
45 L A 0.0000
46 E A -0.5987
47 W A 0.0000
48 M A 0.0000
49 G A 0.0000
50 W A -0.2183
51 I A 0.0000
52 D A -2.1156
53 P A 0.0000
54 E A -3.5594
55 N A -3.0092
56 G A -2.4470
57 D A -2.6307
58 T A -1.2609
59 E A -0.8385
60 Y A -0.6601
61 G A 0.0000
62 P A -1.6066
63 K A -2.2467
64 F A 0.0000
65 Q A -2.1248
66 G A -1.6639
67 R A -1.7211
68 V A 0.0000
69 T A -0.7976
70 M A 0.0000
71 T A -0.8175
72 R A -1.5314
73 D A -0.9574
74 T A -0.9549
75 S A -0.0116
76 I A 0.5745
77 N A -0.3868
78 T A 0.0000
79 A A 0.0000
80 Y A -0.8353
81 M A 0.0000
82 E A -1.3956
83 L A 0.0000
84 S A -1.8629
85 R A -2.7567
86 L A 0.0000
87 R A -3.3846
88 S A -2.3289
89 D A -2.5390
90 D A 0.0000
91 T A -0.7695
92 A A 0.0000
93 V A 0.4662
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 -0.1448
102 H A -0.5392
103 Y A 0.7236
104 G A 0.0879
105 T A 0.0000
106 W A 0.0000
107 F A 0.0000
108 A A 0.3535
109 Y A 0.1669
110 W A -0.0472
111 G A 0.0000
112 Q A -1.1167
113 G A -0.3577
114 T A 0.0000
115 L A 0.4636
116 V A 0.0000
117 T A 0.0000
118 V A 0.0000
119 S A -1.2034
120 S A -0.8916
121 A A -0.5599
122 S A -0.6144
123 T A -0.5693
124 K A -1.1761
125 G A -1.3911
126 P A 0.0000
127 S A -0.4065
128 V A 0.0000
129 F A 0.0000
130 P A -1.2746
131 L A 0.0000
132 A A -1.2129
133 P A 0.0000
134 S A -0.9690
135 S A -0.8354
136 K A -1.1646
137 S A 0.0000
138 T A -0.7213
139 S A -0.6975
140 G A -0.7854
141 G A -0.8604
142 T A -0.5951
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 -0.3574
152 Y A 0.0000
153 F A 0.0000
154 P A -0.6871
155 E A -0.5604
156 P A -0.9376
157 V A -0.8201
158 T A -0.7171
159 V A -0.1816
160 S A -0.3603
161 W A 0.0000
162 N A -0.6351
163 S A -0.5767
164 G A -0.4701
165 A A -0.2159
166 L A 0.0496
167 T A -0.1395
168 S A -0.1511
169 G A -0.1510
170 V A 0.2193
171 H A -0.3034
172 T A 0.0286
173 F A 0.0000
174 P A -0.3117
175 A A 0.2026
176 V A 0.5652
177 L A 1.2092
178 Q A 0.3264
179 S A -0.0287
180 S A -0.1604
181 G A 0.0689
182 L A 0.1199
183 Y A 0.3790
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 -0.1112
191 V A 0.0000
192 P A -0.6044
193 S A -0.5603
194 S A -0.5747
195 S A -0.5569
196 L A -0.7577
197 G A -0.9389
198 T A -0.6815
199 Q A -1.1469
200 T A -1.0270
201 Y A 0.0000
202 I A -0.9810
203 C A 0.0000
204 N A -1.3513
205 V A 0.0000
206 N A -2.2149
207 H A 0.0000
208 K A -2.8470
209 P A -1.6910
210 S A -1.8513
211 N A -2.6351
212 T A -2.1469
213 K A -2.7269
214 V A -1.4187
215 D A -2.0189
216 K A -1.8279
217 K A -2.1711
218 V A 0.0000
219 E A -2.7864
220 P A -1.8441
221 K A -2.2691
222 S A -1.6148
223 C A -1.3271
224 E A -2.4384
225 A A -2.0595
226 A A -2.0189
227 A A -1.9562
228 K A -3.1592
229 E A -3.1681
230 A A -2.2162
231 A A -1.9658
232 A A -2.0090
233 K A -2.9815
234 P A -2.0335
235 N A -2.1746
236 F A 0.0000
237 S A -1.7725
238 G A -1.9114
239 N A -2.4071
240 W A 0.0000
241 K A -2.4743
242 I A 0.0000
243 I A -0.6939
244 R A -1.9903
245 S A -1.9883
246 E A -2.7649
247 N A -2.2085
248 F A -1.7281
249 E A -3.0154
250 E A -2.8030
251 L A 0.0000
252 L A 0.0000
253 K A -2.5805
254 V A -1.5969
255 L A 0.0000
256 G A -1.2832
257 V A 0.0000
258 N A -0.5345
259 V A 1.0463
260 M A 1.6336
261 L A 1.4219
262 R A -0.4190
263 K A -0.5071
264 I A 1.1831
265 A A 0.4626
266 V A -0.2124
267 A A 0.0365
268 A A -0.3135
269 A A 0.0000
270 S A -0.9265
271 K A -1.8228
272 P A 0.0000
273 A A -1.2341
274 V A 0.0000
275 E A -1.8312
276 I A 0.0000
277 K A -2.7226
278 Q A -2.4021
279 E A -2.8872
280 G A -2.3116
281 D A -2.0570
282 T A -2.1922
283 F A 0.0000
284 Y A -1.7645
285 I A 0.0000
286 K A -1.7574
287 T A -1.1092
288 S A -1.0966
289 T A -0.7944
290 T A -0.3007
291 V A 0.1155
292 R A -1.5010
293 T A -1.3392
294 T A -1.6912
295 E A -2.4647
296 I A 0.0000
297 N A -2.2112
298 F A 0.0000
299 K A -2.5922
300 V A 0.0000
301 G A -2.1891
302 E A -3.2136
303 E A -3.3801
304 F A -2.5348
305 E A -2.8923
306 E A -2.5351
307 Q A -2.1828
308 T A 0.0000
309 V A 0.1835
310 D A -0.6764
311 G A -1.0502
312 R A -1.3281
313 P A -1.6733
314 C A 0.0000
315 K A -2.5044
316 S A 0.0000
317 L A -2.3194
318 V A 0.0000
319 K A -2.3462
320 W A -1.9467
321 E A -2.6104
322 S A -2.2544
323 E A -2.9072
324 N A -2.4066
325 K A -1.8857
326 M A 0.0000
327 V A -0.9948
328 C A 0.0000
329 E A -2.7793
330 Q A -2.6804
331 K A -3.1779
332 L A -2.1625
333 L A -1.2790
334 K A -2.2068
335 G A -2.1050
336 E A -2.8692
337 G A -2.4277
338 P A -2.3260
339 K A -3.4766
340 T A 0.0000
341 S A -1.3094
342 W A 0.0000
343 T A -0.5625
344 R A 0.0000
345 E A -1.1452
346 L A -1.2753
347 T A -1.5795
348 N A -2.3760
349 D A -2.5810
350 G A -1.9126
351 E A -1.3979
352 L A 0.0000
353 I A -0.0007
354 L A 0.0000
355 T A 0.1139
356 M A 0.5028
357 T A -0.7343
358 A A 0.0000
359 D A -2.9894
360 D A -2.4657
361 V A -1.1037
362 V A -0.1318
363 C A 0.0000
364 T A -0.6571
365 R A 0.0000
366 V A -0.5875
367 Y A 0.0000
368 V A -1.4544
369 R A -2.6955
370 E A -2.8945
1 D B -1.3147
2 V B 0.0000
3 V B 0.7155
4 M B 0.0000
5 T B -0.3753
6 Q B 0.0000
7 S B -0.2442
8 P B 0.3087
9 L B 1.0702
10 S B 0.1743
11 L B -0.0758
12 P B -0.6614
13 V B 0.0000
14 T B -0.8225
15 L B -0.2689
16 G B -1.1867
17 Q B -1.8211
18 P B -1.9029
19 A B 0.0000
20 S B -0.8080
21 I B 0.0000
22 S B -0.9800
23 C B 0.0000
24 R B -2.3577
25 S B 0.0000
26 S B -1.0146
27 Q B -1.5135
28 S B -0.8374
29 L B 0.0000
30 L B 0.7987
31 H B -0.0985
32 S B -0.3557
33 S B -0.4979
34 G B -0.5017
35 N B -0.4971
36 T B 0.0000
37 Y B -0.0944
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 -0.9475
44 R B -1.5312
45 P B -1.2990
46 G B -1.2519
47 Q B -1.8830
48 S B -1.2170
49 P B 0.0000
50 R B -0.8325
51 P B 0.0000
52 L B 0.0000
53 I B 0.0000
54 Y B -0.3562
55 K B -0.9329
56 I B -0.6243
57 S B -0.7466
58 T B -0.8189
59 R B -1.4544
60 F B 0.0000
61 S B -0.6242
62 G B -0.8754
63 V B -0.9359
64 P B -1.2352
65 D B -2.1503
66 R B -2.0488
67 F B 0.0000
68 S B -1.2958
69 G B -0.9080
70 S B -0.9416
71 G B -1.0733
72 S B -0.6987
73 G B -0.6794
74 T B -1.4913
75 D B -2.2196
76 F B 0.0000
77 T B -1.1359
78 L B 0.0000
79 K B -1.8799
80 I B 0.0000
81 S B -2.3136
82 R B -2.7882
83 V B 0.0000
84 E B -2.0698
85 A B -1.2668
86 E B -2.1886
87 D B 0.0000
88 V B -0.7743
89 G B 0.0000
90 V B -0.1553
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 -0.0261
99 V B 0.6985
100 P B -0.0385
101 Y B 0.3931
102 T B 0.2117
103 F B 0.2569
104 G B 0.0000
105 G B -0.3250
106 G B 0.0000
107 T B 0.0000
108 K B -0.5957
109 V B 0.0000
110 E B -0.6920
111 I B -0.6270
112 K B -1.1698
113 R B -0.8819
114 T B -0.1230
115 V B 0.3505
116 A B 0.0222
117 A B -0.0663
118 P B 0.0000
119 S B -0.1798
120 V B 0.0000
121 F B 0.0000
122 I B 0.0000
123 F B 0.0000
124 P B -0.5436
125 P B -0.8338
126 S B -1.8997
127 D B -3.0566
128 E B -3.2268
129 Q B 0.0000
130 L B -2.3431
131 K B -2.9333
132 S B -1.8139
133 G B -1.2786
134 T B -0.9931
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 -0.7546
144 F B 0.0000
145 Y B 0.0000
146 P B -1.5076
147 R B -2.5803
148 E B -3.0073
149 A B -2.2317
150 K B -2.4304
151 V B -1.1194
152 Q B -0.6529
153 W B 0.0000
154 K B -0.5380
155 V B 0.0000
156 D B -1.6952
157 N B -1.4266
158 A B -0.2373
159 L B 0.6910
160 Q B -0.3108
161 S B -0.6628
162 G B -1.2775
163 N B -1.6003
164 S B -1.4079
165 Q B -1.3125
166 E B -1.4658
167 S B -0.8272
168 V B -0.7747
169 T B -1.2066
170 E B -2.2989
171 Q B -1.8944
172 D B -2.0637
173 S B -1.9120
174 K B -2.2633
175 D B -1.7004
176 S B -1.7443
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 -0.6867
184 L B 0.0000
185 T B -0.6101
186 L B -0.6968
187 S B -0.8837
188 K B -1.8721
189 A B -1.6310
190 D B -2.1262
191 Y B 0.0000
192 E B -3.0749
193 K B -3.2802
194 H B -2.5251
195 K B -2.4978
196 V B -0.9260
197 Y B 0.0000
198 A B 0.0000
199 C B 0.0000
200 E B -0.6717
201 V B 0.0000
202 T B -1.2487
203 H B 0.0000
204 Q B -1.6942
205 G B -0.3952
206 L B -0.2025
207 S B -0.4408
208 S B -0.4290
209 P B -0.5800
210 V B 0.0028
211 T B -0.3665
212 K B -0.6435
213 S B -0.5495
214 F B 0.0000
215 N B -1.4723
216 R B -1.9676
217 G B -1.7219
218 E B -1.9646
219 C B -0.9569
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Laboratory of Theory of Biopolymers 2018