Project name: query_structure

Status: done

Started: 2026-03-17 00:14:07
Settings
Chain sequence(s) A: NTNFWMFGLFFFFYFFIMGAYFPFFPIWLHDINHISKSDTWIIFAAISLFSLLFQPLFGLLSDKLGLRKYLLWIITGMLVMFAPFFIFIFGPLLQYNILVGSIVGGIYLGFCFNAGAPAVEAFIEKVSRRSNFEFGRARMFGCVGWALCASIVGIMFTINNQFVFWLGSGCALILAVLLFFAKTDAFSLKLALELFRQPKLWFLSLYVIGVSCTYDVFDQQFANFFTSFFATGEQGTRVFWYVTTMGELLNASIMFFAPLIINRIGGKNALLLAGTIMSVRIIGSSFATSALEVVILKTLHMFEVPFLLVGCFKYITSQFEVRFSATIYLVCFCFFKQLAMIFMSVLAGNMYESIGFQGAYLVLGLVALGFTLISVFTLSGPGPLSL
B: MQVQLVESGGRLVQAGDSLRLSCAASGRTFTTYLMGWFRQAPGKEREFVAAIRWSGGSTYYADSVKGRFTISRDNAKNTVYLQMNSLKLEDTAVYYCAAAARPSYSGDYGYTEALRYDYWGQGTQVTVSSHH
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                                          (00:06:14)
[INFO]       Main:     Simulation completed successfully.                                          (00:06:18)
Show buried residues

Minimal score value
-3.4836
Maximal score value
3.5406
Average score
0.0875
Total score value
45.4136

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
6 N A -1.0773
7 T A -0.4577
8 N A 0.0000
9 F A 0.3147
10 W A 1.1392
11 M A 1.2378
12 F A 0.0000
13 G A 0.0000
14 L A 1.0225
15 F A 0.0000
16 F A 0.0000
17 F A 0.8610
18 F A 0.9780
19 Y A 0.0000
20 F A 0.0000
21 F A 0.0000
22 I A 0.0000
23 M A 0.8077
24 G A 0.0000
25 A A 0.0000
26 Y A 1.1310
27 F A 2.0587
28 P A 1.0081
29 F A 0.0000
30 F A 0.0000
31 P A 0.0927
32 I A -0.1794
33 W A 0.0000
34 L A 0.0000
35 H A -1.6543
36 D A -1.4870
37 I A -0.1729
38 N A 0.0000
39 H A -1.4719
40 I A -1.0274
41 S A -0.9171
42 K A -0.5260
43 S A -0.0799
44 D A 0.2334
45 T A 0.0000
46 W A 1.4337
47 I A 1.8184
48 I A 0.0000
49 F A 1.4487
50 A A 1.5147
51 A A 1.8327
52 I A 0.0000
53 S A 1.3712
54 L A 2.1534
55 F A 1.9464
56 S A 0.0000
57 L A 1.9278
58 L A 2.5551
59 F A 1.8780
60 Q A 0.0000
61 P A 1.2900
62 L A 1.9713
63 F A 0.0000
64 G A 0.0000
65 L A 0.5656
66 L A 0.1551
67 S A 0.0000
68 D A 0.0000
69 K A -1.7561
70 L A 0.0000
71 G A -1.3688
72 L A -1.6021
73 R A -1.9745
74 K A -0.2907
75 Y A 0.9340
76 L A 0.0000
77 L A 0.0000
78 W A 1.0537
79 I A 0.9573
80 I A 0.0000
81 T A 0.0000
82 G A 0.4431
83 M A 0.5446
84 L A 0.0000
85 V A 0.9682
86 M A 1.0969
87 F A 0.0000
88 A A 0.0000
89 P A 1.4050
90 F A 1.5855
91 F A 0.0000
92 I A 1.8241
93 F A 2.8636
94 I A 2.2972
95 F A 0.0000
96 G A 0.0000
97 P A 1.0218
98 L A 1.5227
99 L A 0.0000
100 Q A -0.0566
101 Y A 0.9283
102 N A 0.5676
103 I A 2.2563
104 L A 2.1036
105 V A 2.7618
106 G A 1.5192
107 S A 0.0000
108 I A 0.0000
109 V A 2.1353
110 G A 1.3459
111 G A 0.0000
112 I A 1.4037
113 Y A 0.0000
114 L A 0.0000
115 G A 0.0000
116 F A 0.6512
117 C A 0.0000
118 F A 0.0000
119 N A -0.2752
120 A A 0.0000
121 G A 0.0000
122 A A 0.0000
123 P A -0.0896
124 A A 0.0000
125 V A 0.0000
126 E A 0.0000
127 A A 0.0000
128 F A 0.0000
129 I A 0.0000
130 E A 0.0000
131 K A 0.0000
132 V A 0.0000
133 S A 0.0000
134 R A -2.2795
135 R A -2.9093
136 S A -2.2515
137 N A -2.1462
138 F A -1.4170
139 E A -1.0532
140 F A 0.0000
141 G A 0.0000
142 R A 0.0378
143 A A 0.0000
144 R A 0.0691
145 M A 0.5866
146 F A 0.7810
147 G A 0.0000
148 C A 0.0000
149 V A 1.2106
150 G A 0.0000
151 W A 1.0278
152 A A 0.0000
153 L A 1.2972
154 C A 0.0000
155 A A 0.0000
156 S A 1.0065
157 I A 1.2467
158 V A 0.0000
159 G A 1.2232
160 I A 2.3782
161 M A 1.7562
162 F A 1.3214
163 T A 1.3306
164 I A 1.9948
165 N A 0.4478
166 N A 0.2739
167 Q A -0.1591
168 F A 1.0584
169 V A 0.0000
170 F A 0.0000
171 W A 1.2715
172 L A 0.9688
173 G A 0.0000
174 S A 0.0000
175 G A 0.8793
176 C A 0.0000
177 A A 0.0000
178 L A 1.8113
179 I A 1.9445
180 L A 0.0000
181 A A 2.1747
182 V A 2.8905
183 L A 2.3569
184 L A 0.0000
185 F A 2.9979
186 F A 2.7659
187 A A 0.0000
188 K A -1.2302
189 T A -2.1081
190 D A -2.7348
207 A A -0.4483
208 F A -0.2441
209 S A 0.1310
210 L A 0.8313
211 K A -0.5878
212 L A -0.0315
213 A A 0.0000
214 L A 0.2859
215 E A -1.6460
216 L A 0.0000
217 F A -0.7899
218 R A -2.2824
219 Q A -1.7657
220 P A -0.9697
221 K A -0.9146
222 L A 0.0000
223 W A 0.4462
224 F A 1.3192
225 L A 0.0000
226 S A 0.0000
227 L A 1.3114
228 Y A 0.0000
229 V A 0.0000
230 I A 1.4247
231 G A 0.0000
232 V A 0.0000
233 S A 0.0000
234 C A 0.0000
235 T A 0.0000
236 Y A 0.0000
237 D A -1.2607
238 V A 0.0000
239 F A 0.0000
240 D A -1.5646
241 Q A -1.8291
242 Q A -1.2073
243 F A 0.0000
244 A A -0.5589
245 N A -0.6464
246 F A 0.0000
247 F A 0.0000
248 T A 0.0000
249 S A 0.0000
250 F A 0.0000
251 F A 0.0665
252 A A -0.1143
253 T A -0.9053
254 G A 0.0000
255 E A -2.5221
256 Q A -1.9482
257 G A 0.0000
258 T A -1.3037
259 R A -1.9606
260 V A -0.3086
261 F A 0.2195
262 W A 0.6635
263 Y A 1.3377
264 V A 0.0000
265 T A 0.8388
266 T A 1.1967
267 M A 1.2915
268 G A 0.0000
269 E A 0.9351
270 L A 1.5760
271 L A 1.3615
272 N A 0.0000
273 A A 0.0000
274 S A 1.3225
275 I A 1.7256
276 M A 0.0000
277 F A 2.3306
278 F A 2.8714
279 A A 0.0000
280 P A 0.0000
281 L A 0.8142
282 I A 0.7507
283 I A 0.0000
284 N A -1.5263
285 R A -1.9115
286 I A -0.5057
287 G A -1.0285
288 G A -0.7143
289 K A 0.0000
290 N A 0.0000
291 A A 0.0000
292 L A 0.0000
293 L A 0.0000
294 L A 0.7129
295 A A 0.0000
296 G A 0.0000
297 T A 0.8639
298 I A 0.9460
299 M A 0.0000
300 S A 0.0000
301 V A 1.3879
302 R A 0.0000
303 I A 0.0000
304 I A 1.8842
305 G A 1.1183
306 S A 0.0000
307 S A 0.0000
308 F A 1.8767
309 A A 0.0000
310 T A 0.2242
311 S A 0.3254
312 A A 0.8832
313 L A 1.7659
314 E A 0.9817
315 V A 0.0000
316 V A 1.7551
317 I A 2.3411
318 L A 1.3703
319 K A 0.0000
320 T A 1.0393
321 L A 1.2609
322 H A 0.4489
323 M A 0.0000
324 F A 1.1425
325 E A 0.0000
326 V A 0.5927
327 P A 0.0000
328 F A 0.0000
329 L A 0.4826
330 L A 0.2667
331 V A 0.0000
332 G A 0.0000
333 C A 0.0000
334 F A 0.0000
335 K A -0.6284
336 Y A 0.0000
337 I A 0.0000
338 T A -0.5699
339 S A -0.6596
340 Q A -0.8797
341 F A 0.0000
342 E A -1.6529
343 V A -0.4474
344 R A -1.5503
345 F A 0.0000
346 S A 0.0000
347 A A 0.0000
348 T A 0.0000
349 I A 0.0000
350 Y A 0.0000
351 L A 0.0000
352 V A 0.0000
353 C A 0.0000
354 F A 0.0000
355 C A 0.0000
356 F A 0.7715
357 F A 0.6782
358 K A 0.3964
359 Q A 0.8674
360 L A 1.5720
361 A A 1.5830
362 M A 1.8663
363 I A 2.8225
364 F A 3.5406
365 M A 2.3726
366 S A 1.6426
367 V A 2.8446
368 L A 2.0296
369 A A 0.0000
370 G A -0.5547
371 N A -1.2328
372 M A -0.6097
373 Y A 0.0000
374 E A -2.2089
375 S A -0.8901
376 I A 0.1661
377 G A 0.0000
378 F A 0.0000
379 Q A 0.8029
380 G A 0.0000
381 A A 0.0000
382 Y A 0.0000
383 L A 1.6867
384 V A 1.6928
385 L A 0.0000
386 G A 0.0000
387 L A 2.7368
388 V A 2.0699
389 A A 0.0000
390 L A 2.3182
391 G A 2.0027
392 F A 2.3296
393 T A 0.0000
394 L A 3.0402
395 I A 3.0051
396 S A 0.0000
397 V A 2.2051
398 F A 2.6841
399 T A 1.6663
400 L A 0.0000
401 S A 0.0145
402 G A -0.3304
403 P A 0.2183
404 G A 0.0000
405 P A 0.9813
406 L A 1.7822
407 S A 1.1982
408 L A 1.8554
0 M B -0.8300
1 Q B -1.5478
2 V B 0.0000
3 Q B -1.2698
4 L B 0.0000
5 V B 0.8505
6 E B 0.0945
7 S B -0.6273
8 G B -1.4279
9 G B -1.4467
10 R B -1.6790
11 L B 0.2499
12 V B 0.0000
13 Q B -1.2856
14 A B -1.2379
15 G B -1.2175
16 D B -1.1933
17 S B -1.4477
18 L B -1.4650
19 R B -2.3752
20 L B 0.0000
21 S B -0.4749
22 C B 0.0000
23 A B -0.2709
24 A B 0.0000
25 S B -0.9886
26 G B -0.9493
27 R B -0.4785
28 T B 0.3971
29 F B 1.8433
30 T B 0.0000
31 T B 0.0000
32 Y B 0.0000
33 L B 0.0000
34 M B 0.0000
35 G B 0.0000
36 W B 0.0000
37 F B 0.0000
38 R B -1.2071
39 Q B -2.0615
40 A B -1.8564
41 P B -1.6067
42 G B -1.8639
43 K B -3.2418
44 E B -3.4836
45 R B -2.4862
46 E B -2.0225
47 F B 0.0000
48 V B 0.0000
49 A B 0.0000
50 A B 0.0000
51 I B 0.0000
52 R B 0.0000
53 W B 0.0000
54 S B -0.2928
55 G B -0.4858
56 G B -0.7090
57 S B -0.2777
58 T B 0.0177
59 Y B -0.0838
60 Y B -0.6186
61 A B -1.1527
62 D B -2.3673
63 S B -1.5716
64 V B 0.0000
65 K B -2.5454
66 G B -1.8621
67 R B -1.6317
68 F B 0.0000
69 T B -0.9663
70 I B 0.0000
71 S B -0.7748
72 R B -1.7574
73 D B -2.5170
74 N B -2.0711
75 A B -1.6557
76 K B -2.5096
77 N B -1.9654
78 T B -1.2663
79 V B 0.0000
80 Y B -0.7912
81 L B 0.0000
82 Q B -1.4831
83 M B 0.0000
84 N B -2.1428
85 S B -1.4304
86 L B 0.0000
87 K B -1.2468
88 L B -0.4127
89 E B -1.4848
90 D B 0.0000
91 T B -0.5193
92 A B 0.0000
93 V B -0.6914
94 Y B 0.0000
95 Y B -0.2934
96 C B 0.0000
97 A B 0.0000
98 A B 0.0000
99 A B 0.0000
100 A B 0.0000
101 R B -2.0010
102 P B -1.0477
103 S B -0.2554
104 Y B 0.1818
105 S B -0.3224
106 G B -0.7944
107 D B -0.3647
108 Y B 0.1327
109 G B 0.0000
110 Y B 0.4610
111 T B 0.1540
112 E B -0.1191
113 A B 0.4109
114 L B 1.4351
115 R B 0.0000
116 Y B 0.0000
117 D B -0.3945
118 Y B -0.1848
119 W B 0.0276
120 G B 0.0000
121 Q B -0.9207
122 G B -0.6280
123 T B -1.0286
124 Q B -1.4139
125 V B 0.0000
126 T B -0.4079
127 V B 0.0000
128 S B -0.8213
129 S B -1.0016
130 H B -1.5642
131 H B -1.6996
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Laboratory of Theory of Biopolymers 2018