Project name: Lad-XTEN-CrabTag

Status: done

Started: 2025-06-30 16:16:05
Settings
Chain sequence(s) A: QVQLVQSGAEVKKPGASVKVSCKASGLTIEDYYMHWVRQAPGQGLEWMGWIDPENGDTEYGPKFQGRVTMTRDTSINTAYMELSRLRSDDTAVYYCAVHNAHYGTWFAYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCSGSETPGTSESATPESPNFSGNWKIIRSENFEELLKVLGVNVMLRKIAVAAASKPAVEIKQEGDTFYIKTSTTVRTTEINFKVGEEFEEQTVDGRPCKSLVKWESENKMVCEQKLLKGEGPKTSWTRELTNDGELILTMTADDVVCTRVYVRE
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]                                                (00:00:00)
[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                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:11:47)
[INFO]       Main:     Simulation completed successfully.                                          (00:11:54)
Show buried residues

Minimal score value
-3.6115
Maximal score value
1.7834
Average score
-0.8745
Total score value
-520.3286

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 -1.3215
2 V A -0.6082
3 Q A -1.2313
4 L A 0.0000
5 V A -0.1475
6 Q A 0.0000
7 S A -0.6378
8 G A -0.6146
9 A A -0.2627
10 E A -0.6574
11 V A -0.1008
12 K A -1.3885
13 K A -2.5083
14 P A -2.4814
15 G A -2.2077
16 A A -1.5971
17 S A -1.6820
18 V A 0.0000
19 K A -1.9858
20 V A 0.0000
21 S A -0.6568
22 C A 0.0000
23 K A -0.7846
24 A A 0.0000
25 S A -0.6574
26 G A -0.8389
27 L A -0.7194
28 T A -0.8921
29 I A 0.0000
30 E A -2.7539
31 D A -2.5230
32 Y A -1.1945
33 Y A -0.4739
34 M A 0.0000
35 H A 0.0000
36 W A 0.0000
37 V A 0.0000
38 R A -0.4060
39 Q A -0.6591
40 A A -1.0138
41 P A -1.0007
42 G A -1.2122
43 Q A -1.7568
44 G A -1.1363
45 L A 0.0000
46 E A -0.6953
47 W A 0.0000
48 M A 0.0000
49 G A 0.0000
50 W A -0.2060
51 I A 0.0000
52 D A -2.1053
53 P A 0.0000
54 E A -3.6115
55 N A -2.9996
56 G A -2.4421
57 D A -2.6223
58 T A -1.2231
59 E A -0.7609
60 Y A -0.5875
61 G A 0.0000
62 P A -1.6276
63 K A -2.2370
64 F A 0.0000
65 Q A -2.0902
66 G A -1.5857
67 R A -1.5742
68 V A 0.0000
69 T A -0.7391
70 M A 0.0000
71 T A -0.7853
72 R A -1.5179
73 D A -1.2470
74 T A -0.9687
75 S A -0.0273
76 I A 0.5335
77 N A -0.4041
78 T A 0.0000
79 A A 0.0000
80 Y A -0.7517
81 M A 0.0000
82 E A -1.2696
83 L A 0.0000
84 S A -1.7055
85 R A -2.5736
86 L A 0.0000
87 R A -3.4036
88 S A -2.3818
89 D A -2.5394
90 D A 0.0000
91 T A -0.8932
92 A A 0.0000
93 V A 0.2150
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 0.0953
100 N A 0.0000
101 A A -0.1711
102 H A -0.5439
103 Y A 0.7572
104 G A 0.1697
105 T A 0.0000
106 W A 0.3351
107 F A 0.0000
108 A A 0.2859
109 Y A 0.0573
110 W A -0.1854
111 G A 0.0000
112 Q A -1.3784
113 G A -0.5853
114 T A 0.0000
115 L A 0.1034
116 V A 0.0000
117 T A 0.0000
118 V A 0.0000
119 S A -1.3342
120 S A -0.8992
121 A A -0.5849
122 S A -0.6575
123 T A -0.5613
124 K A -1.1887
125 G A -1.3226
126 P A 0.0000
127 S A -0.6583
128 V A 0.0000
129 F A 0.0000
130 P A -1.2613
131 L A 0.0000
132 A A -1.3042
133 P A 0.0000
134 S A -0.9676
135 S A -0.5705
136 K A -0.9945
137 S A 0.0000
138 T A -0.6726
139 S A -0.6807
140 G A -0.7932
141 G A -0.8625
142 T A -0.6005
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 -0.3560
152 Y A 0.0000
153 F A 0.0000
154 P A 0.0000
155 E A -0.4731
156 P A -0.7092
157 V A -0.6389
158 T A -0.5286
159 V A -0.1202
160 S A -0.3443
161 W A 0.0000
162 N A -0.7234
163 S A -0.6329
164 G A -0.4873
165 A A -0.2205
166 L A 0.0237
167 T A -0.1526
168 S A -0.1629
169 G A -0.1840
170 V A 0.1919
171 H A -0.3193
172 T A 0.0222
173 F A 0.0000
174 P A -0.3418
175 A A 0.2247
176 V A 0.5714
177 L A 1.2628
178 Q A 0.3440
179 S A -0.0242
180 S A -0.1654
181 G A 0.0607
182 L A 0.1459
183 Y A 0.4384
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 -0.1212
191 V A 0.0000
192 P A -0.5946
193 S A -0.5550
194 S A -0.5598
195 S A -0.5273
196 L A -0.7566
197 G A -0.9286
198 T A -0.6447
199 Q A -1.0956
200 T A -1.0542
201 Y A 0.0000
202 I A -1.2204
203 C A 0.0000
204 N A -1.3734
205 V A 0.0000
206 N A -1.8049
207 H A 0.0000
208 K A -2.7271
209 P A -1.6253
210 S A -1.8377
211 N A -2.5773
212 T A -2.0311
213 K A -2.6032
214 V A -1.4499
215 D A -2.2460
216 K A -1.9979
217 K A -2.3870
218 V A 0.0000
219 E A -2.8415
220 P A -1.8795
221 K A -2.0606
222 S A -1.0134
223 C A -0.1639
224 S A -0.7636
225 G A -0.9439
226 S A -1.3540
227 E A -2.2945
228 T A -1.4056
229 P A -1.1783
230 G A -1.3092
231 T A -1.0699
232 S A -1.3973
233 E A -2.1165
234 S A -1.2814
235 A A -1.2012
236 T A -1.1929
237 P A -1.2645
238 E A -2.2585
239 S A -1.9212
240 P A -1.9762
241 N A -2.2158
242 F A 0.0000
243 S A -1.8050
244 G A -2.1475
245 N A -2.9759
246 W A 0.0000
247 K A -2.4317
248 I A 0.0000
249 I A -0.5574
250 R A -1.9183
251 S A -1.9637
252 E A -2.9465
253 N A -2.5812
254 F A -1.9177
255 E A -3.1587
256 E A -2.9162
257 L A 0.0000
258 L A 0.0000
259 K A -2.3574
260 V A -1.5314
261 L A 0.0000
262 G A -0.9574
263 V A -0.7294
264 N A -0.2910
265 V A 1.2299
266 M A 1.7834
267 L A 1.6776
268 R A -0.2297
269 K A -0.3594
270 I A 1.4684
271 A A 0.6240
272 V A -0.1891
273 A A 0.0991
274 A A 0.0000
275 A A 0.0000
276 S A -0.9390
277 K A -1.7959
278 P A 0.0000
279 A A -1.4409
280 V A 0.0000
281 E A -2.5686
282 I A 0.0000
283 K A -2.5114
284 Q A -2.3491
285 E A -2.9413
286 G A -2.2957
287 D A -2.4510
288 T A -2.5281
289 F A 0.0000
290 Y A -1.8285
291 I A 0.0000
292 K A -2.0336
293 T A -1.2832
294 S A -1.2051
295 T A -0.7924
296 T A -0.2477
297 V A 0.2271
298 R A -1.4408
299 T A -1.3468
300 T A -1.7298
301 E A -2.5649
302 I A 0.0000
303 N A -2.3671
304 F A 0.0000
305 K A -3.4833
306 V A -2.2935
307 G A -2.7994
308 E A -3.4938
309 E A -3.3121
310 F A -2.7209
311 E A -3.0629
312 E A -2.7276
313 Q A -2.4593
314 T A 0.0000
315 V A 0.0756
316 D A -0.7146
317 G A -1.0564
318 R A -1.8150
319 P A -2.1375
320 C A 0.0000
321 K A -2.8677
322 S A 0.0000
323 L A -2.5698
324 V A 0.0000
325 K A -2.9053
326 W A -2.5086
327 E A -2.8675
328 S A -2.4494
329 E A -2.6811
330 N A -2.2206
331 K A -1.9374
332 M A 0.0000
333 V A -0.9735
334 C A 0.0000
335 E A -2.6866
336 Q A -2.8685
337 K A -3.4804
338 L A -2.6039
339 L A -1.7982
340 K A -2.4590
341 G A -2.2370
342 E A -2.9216
343 G A -2.4806
344 P A -2.3522
345 K A -3.5159
346 T A 0.0000
347 S A -1.3303
348 W A 0.0000
349 T A -0.5549
350 R A 0.0000
351 E A -1.1666
352 L A 0.0000
353 T A -1.6254
354 N A -2.3830
355 D A -2.5718
356 G A -1.8565
357 E A -1.3465
358 L A 0.0000
359 I A -0.0199
360 L A 0.0000
361 T A 0.1838
362 M A 0.5043
363 T A -0.7978
364 A A 0.0000
365 D A -2.9985
366 D A -2.4747
367 V A -1.1803
368 V A -0.2592
369 C A 0.0000
370 T A -0.7348
371 R A 0.0000
372 V A -0.5417
373 Y A 0.0000
374 V A -1.3575
375 R A -2.6236
376 E A -3.0135
1 D B -1.3237
2 V B 0.0000
3 V B 0.7548
4 M B 0.0000
5 T B -0.3486
6 Q B 0.0000
7 S B -0.2134
8 P B 0.2577
9 L B 0.9765
10 S B 0.0188
11 L B -0.2451
12 P B -0.8967
13 V B 0.0000
14 T B -1.0672
15 L B -0.5907
16 G B -1.4166
17 Q B -1.9229
18 P B -1.8794
19 A B 0.0000
20 S B -0.7690
21 I B 0.0000
22 S B -1.0090
23 C B 0.0000
24 R B -2.2163
25 S B 0.0000
26 S B -0.9608
27 Q B -1.5069
28 S B -0.8798
29 L B 0.0000
30 L B 0.7950
31 H B -0.1029
32 S B -0.3602
33 S B -0.5031
34 G B -0.5147
35 N B -0.4443
36 T B 0.0000
37 Y B 0.0442
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 -1.6686
45 P B -1.4812
46 G B -1.6708
47 Q B -2.1036
48 S B -1.3471
49 P B 0.0000
50 R B -0.9604
51 P B -0.4969
52 L B 0.0000
53 I B 0.0000
54 Y B -0.2139
55 K B -0.5662
56 I B -0.4287
57 S B -0.6157
58 T B -0.6368
59 R B -1.6127
60 F B 0.0000
61 S B -0.6752
62 G B -0.9070
63 V B -1.0062
64 P B -1.2528
65 D B -2.3465
66 R B -1.9856
67 F B 0.0000
68 S B -1.2668
69 G B 0.0000
70 S B -0.9264
71 G B -1.2018
72 S B -0.8403
73 G B -0.7940
74 T B -1.6721
75 D B -2.7326
76 F B 0.0000
77 T B -1.1835
78 L B 0.0000
79 K B -1.7946
80 I B 0.0000
81 S B -2.2235
82 R B -2.9758
83 V B 0.0000
84 E B -1.9534
85 A B -1.2474
86 E B -1.8187
87 D B 0.0000
88 V B -1.0278
89 G B 0.0000
90 V B -0.3452
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 -0.0688
99 V B 0.6461
100 P B -0.1406
101 Y B 0.3151
102 T B 0.0925
103 F B 0.0000
104 G B 0.0000
105 G B -0.4473
106 G B -0.4161
107 T B 0.0000
108 K B -0.9721
109 V B 0.0000
110 E B -1.2525
111 I B 0.0000
112 K B -1.5222
113 R B -1.0635
114 T B -0.1708
115 V B 0.2924
116 A B -0.0373
117 A B -0.1000
118 P B 0.0000
119 S B -0.1966
120 V B 0.0000
121 F B 0.0000
122 I B 0.0000
123 F B 0.0000
124 P B -0.6259
125 P B -0.7967
126 S B -1.7956
127 D B -2.8982
128 E B -3.0840
129 Q B 0.0000
130 L B -2.2234
131 K B -3.0284
132 S B -2.2255
133 G B -1.2604
134 T B -0.9435
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 -0.8610
144 F B 0.0000
145 Y B 0.0000
146 P B -1.7415
147 R B -2.8963
148 E B -3.1515
149 A B -2.3088
150 K B -2.4560
151 V B -1.1037
152 Q B -0.6449
153 W B 0.0000
154 K B -0.5466
155 V B 0.0000
156 D B -1.9019
157 N B -1.5111
158 A B -0.2528
159 L B 0.7036
160 Q B -0.2798
161 S B -0.6353
162 G B -1.2452
163 N B -1.5327
164 S B -1.3756
165 Q B -1.3006
166 E B -1.4662
167 S B -0.8171
168 V B -0.7621
169 T B -1.2083
170 E B -2.3135
171 Q B -1.9277
172 D B -1.9977
173 S B -1.8873
174 K B -2.1802
175 D B -1.6084
176 S B -1.7372
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 -0.6496
184 L B 0.0000
185 T B -0.5958
186 L B -0.7032
187 S B -0.8917
188 K B -1.8426
189 A B -1.6676
190 D B -2.2298
191 Y B 0.0000
192 E B -3.2705
193 K B -3.4673
194 H B -2.9066
195 K B -3.1627
196 V B -1.4039
197 Y B 0.0000
198 A B 0.0000
199 C B 0.0000
200 E B -0.6921
201 V B 0.0000
202 T B -1.2327
203 H B 0.0000
204 Q B -1.7385
205 G B -0.4168
206 L B -0.2391
207 S B -0.4570
208 S B -0.4203
209 P B -0.5783
210 V B 0.0421
211 T B -0.4048
212 K B -0.7534
213 S B -0.6593
214 F B 0.0000
215 N B -1.7384
216 R B -2.3281
217 G B -1.8978
218 E B -2.0355
219 C B -0.7274
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Laboratory of Theory of Biopolymers 2018