Project name: chimeric_L178S_I145S

Status: done

Started: 2026-04-21 20:59:33
Settings
Chain sequence(s) A: EVQLLESGGGLVQPGGSLRLSCAASGFTFSNAWMSWVRQAPGKGLEWVSSISVGGHRTYYADSVKGRSTISRDNSKNTLYLQMNSLRAEDTAVYYCARIRVGPSGGAFDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVSQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEGGGSGGGSSRGQYSREDNNCTHFPGNLPNMLRDLRDAFSRVKTFFQMKDQLDNLLLKESLLEDFKGYLGCQALSEMIQFYLEEVMPQAENQDPDIKAHVNSLGENLKTLRLRLRRCHRFLPCENKSKAVEQVKNAFNKLQEKGIYKAMSEFDSFINYIEAYMMIKMKSHHHHHH
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                                          (00:08:19)
[INFO]       Main:     Simulation completed successfully.                                          (00:08:24)
Show buried residues

Minimal score value
-3.5968
Maximal score value
1.9271
Average score
-0.7654
Total score value
-466.1058

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 -1.9933
2 V A -0.9974
3 Q A -0.9192
4 L A 0.0000
5 L A 0.5018
6 E A 0.0000
7 S A -0.3136
8 G A -0.7254
9 G A 0.0000
10 G A -0.4561
11 L A -0.1320
12 V A 0.0000
13 Q A -1.6917
14 P A -1.7961
15 G A -1.5209
16 G A -1.1737
17 S A -1.3133
18 L A -1.0327
19 R A -1.8224
20 L A 0.0000
21 S A -0.3440
22 C A 0.0000
23 A A -0.2116
24 A A 0.0000
25 S A -0.6790
26 G A -1.1234
27 F A -0.6551
28 T A -0.5783
29 F A 0.0000
30 S A -1.2499
31 N A -1.0828
32 A A 0.0000
33 W A -0.0335
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 -0.7697
40 A A -1.1855
41 P A -0.9717
42 G A -1.4662
43 K A -2.2543
44 G A -1.3973
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 -1.2748
55 G A -1.3833
56 H A -1.8654
57 R A -1.9762
58 T A -0.8980
59 Y A -0.7116
60 Y A -0.9098
61 A A -1.4566
62 D A -2.4763
63 S A -1.7741
64 V A 0.0000
65 K A -2.5911
66 G A -1.7816
67 R A -1.5138
68 S A 0.0000
69 T A -0.8009
70 I A 0.0000
71 S A -0.7287
72 R A -0.9972
73 D A -1.6835
74 N A -1.8885
75 S A -1.6318
76 K A -2.3902
77 N A -1.7267
78 T A 0.0000
79 L A 0.0000
80 Y A -0.4646
81 L A 0.0000
82 Q A -1.1896
83 M A 0.0000
84 N A -1.5105
85 S A -1.3394
86 L A 0.0000
87 R A -2.3695
88 A A -1.7647
89 E A -2.2440
90 D A 0.0000
91 T A -0.7561
92 A A 0.0000
93 V A 0.2207
94 Y A 0.0000
95 Y A 0.0000
96 C A 0.0000
97 A A 0.0000
98 R A -0.0296
99 I A 0.0000
100 R A 0.0692
101 V A 1.0354
102 G A 0.3837
103 P A -0.0070
104 S A -0.2528
105 G A -0.0377
106 G A 0.3531
107 A A 0.0000
108 F A 0.0000
109 D A 0.3388
110 Y A 0.5093
111 W A 0.2823
112 G A 0.0000
113 Q A -1.1518
114 G A 0.0000
115 T A -0.0123
116 L A 0.0643
117 V A 0.0000
118 T A -0.4695
119 V A 0.0000
120 S A -0.9885
121 S A -0.7373
122 A A -0.4893
123 S A -0.6235
124 T A -0.7354
125 K A -1.1458
126 G A -1.3027
127 P A 0.0000
128 S A -0.2070
129 V A 0.0000
130 F A 0.0000
131 P A -0.9127
132 L A 0.0000
133 A A -0.8239
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 -0.3863
141 G A 0.0000
142 G A 0.0000
143 T A -0.5000
144 A A 0.0000
145 A A -0.0135
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 -0.4273
153 Y A 0.0000
154 F A 0.0000
155 P A 0.0000
156 E A -0.6171
157 P A -0.6955
158 V A -0.6425
159 T A -0.5918
160 V A -0.3342
161 S A -0.3754
162 W A 0.0000
163 N A -0.7032
164 S A -0.6493
165 G A -0.4580
166 A A -0.2184
167 L A 0.0295
168 T A -0.1993
169 S A -0.2787
170 G A -0.3464
171 V A 0.1329
172 H A -0.1690
173 T A -0.0354
174 F A 0.0000
175 P A -0.4524
176 A A -0.2608
177 V A 0.0000
178 S A -0.4533
179 Q A -0.5378
180 S A -0.5480
181 S A -0.5109
182 G A -0.5096
183 L A -0.3215
184 Y A -0.1760
185 S A 0.0000
186 L A 0.0000
187 S A 0.0000
188 S A 0.0000
189 V A 0.1571
190 V A 0.0000
191 T A -0.1811
192 V A 0.0000
193 P A -0.6775
194 S A 0.0000
195 S A -0.7695
196 S A -0.7175
197 L A -1.0262
198 G A -1.1425
199 T A -0.7514
200 Q A -1.2972
201 T A -1.1239
202 Y A 0.0000
203 I A -1.0639
204 C A 0.0000
205 N A -1.4313
206 V A 0.0000
207 N A -1.9257
208 H A 0.0000
209 K A -2.7408
210 P A -1.5089
211 S A -1.7897
212 N A -2.5864
213 T A -2.0687
214 K A -2.6931
215 V A -1.5888
216 D A -2.4304
217 K A -1.9434
218 K A -2.2027
219 V A 0.0000
220 E A -2.5475
221 G A -1.6842
222 G A -1.1435
223 G A -0.8267
224 S A 0.0000
225 G A 0.0000
226 G A 0.0000
227 G A 0.0000
228 S A -0.9048
229 S A -0.7671
230 R A 0.0000
231 G A -1.5531
232 Q A -1.8057
233 Y A 0.0000
234 S A -1.9179
235 R A -2.6453
236 E A -3.3336
237 D A -3.5968
238 N A -3.1461
239 N A -2.7683
240 C A -0.8513
241 T A -0.9707
242 H A -1.6868
243 F A 0.0000
244 P A -2.1942
245 G A -2.1103
246 N A 0.0000
247 L A -1.2415
248 P A -1.2302
249 N A 0.0000
250 M A 0.0000
251 L A -1.0487
252 R A -2.5650
253 D A 0.0000
254 L A -1.0064
255 R A -2.2884
256 D A 0.0000
257 A A 0.0000
258 F A -0.7038
259 S A -1.1239
260 R A -1.3862
261 V A 0.0000
262 K A -1.2790
263 T A -0.8165
264 F A -0.7165
265 F A -1.0507
266 Q A -1.7723
267 M A -0.9779
268 K A -2.3342
269 D A -2.8863
270 Q A -2.2648
271 L A -0.7516
272 D A -1.6923
273 N A -0.9068
274 L A 0.7823
275 L A 1.4853
276 L A 0.7086
277 K A -1.4876
278 E A -2.1724
279 S A -1.9779
280 L A -0.9948
281 L A -1.1138
282 E A -2.5401
283 D A -1.4858
284 F A -0.6702
285 K A -1.4695
286 G A -0.6081
287 Y A 1.0735
288 L A 0.6178
289 G A -0.0928
290 C A -0.2359
291 Q A -1.0590
292 A A 0.0000
293 L A -0.3795
294 S A -1.2288
295 E A -1.9630
296 M A -0.9559
297 I A 0.0000
298 Q A -1.6397
299 F A -0.8564
300 Y A -0.5795
301 L A -1.3287
302 E A -2.3784
303 E A -2.1728
304 V A -0.7379
305 M A 0.0000
306 P A -1.9007
307 Q A -2.5965
308 A A -2.1226
309 E A 0.0000
310 N A -3.0948
311 Q A -3.1102
312 D A -3.1775
313 P A -2.6317
314 D A -2.7753
315 I A 0.0000
316 K A -2.2314
317 A A 0.0000
318 H A -0.7903
319 V A 0.0000
320 N A -0.6987
321 S A 0.0000
322 L A -0.2803
323 G A 0.0000
324 E A -0.5566
325 N A 0.0000
326 L A -0.1455
327 K A -0.8106
328 T A -0.2132
329 L A 0.0000
330 R A -0.5186
331 L A 0.0694
332 R A -0.9130
333 L A 0.0000
334 R A -1.9912
335 R A -2.4451
336 C A 0.0000
337 H A -2.1363
338 R A -0.5429
339 F A -0.1277
340 L A 0.0000
341 P A -1.4237
342 C A -0.7172
343 E A -1.3501
344 N A -2.3480
345 K A -2.3843
346 S A -1.7545
347 K A -2.3619
348 A A -1.0743
349 V A -0.6054
350 E A -1.7628
351 Q A -1.6506
352 V A -0.7250
353 K A -2.1043
354 N A -2.1388
355 A A -1.3529
356 F A -1.3427
357 N A -2.7725
358 K A -2.8793
359 L A -2.0664
360 Q A -2.6489
361 E A -2.6538
362 K A -2.2764
363 G A 0.0000
364 I A 1.4057
365 Y A 0.9937
366 K A -0.1489
367 A A 0.9293
368 M A 1.7553
369 S A 0.3555
370 E A -0.5412
371 F A 1.2877
372 D A -0.4559
373 S A 0.0988
374 F A 1.9271
375 I A 0.9318
376 N A -0.2620
377 Y A 1.7650
378 I A 1.4421
379 E A -0.4059
380 A A 0.5922
381 Y A 1.3826
382 M A 1.2152
383 M A 1.4834
384 I A 1.7897
385 K A -0.3878
386 M A -0.4819
387 K A -1.4357
388 S A -1.8276
389 H A -2.6990
390 H A -3.1792
391 H A -3.3696
392 H A -3.0969
393 H A -2.8558
394 H A -2.5994
1 S B -1.0705
2 E B -1.8375
3 L B 0.0000
4 T B -1.1775
5 Q B -1.2458
6 D B -2.2275
7 P B -1.5991
8 A B -1.1239
9 V B -0.7112
10 S B -0.0767
11 V B 0.0000
12 A B -0.0478
13 L B -0.1479
14 G B -0.9767
15 Q B -1.3257
16 T B -1.3029
17 V B 0.0000
18 R B -1.8507
19 I B 0.0000
20 T B -0.9650
21 C B 0.0000
22 S B -0.9539
23 G B -1.2637
24 S B -1.6453
25 N B -2.1981
26 T B -1.5672
27 N B 0.0000
28 I B 0.0000
29 G B -2.0335
30 K B -2.2807
31 N B -1.0804
32 Y B -0.0186
33 V B 0.0000
34 S B 0.0000
35 W B 0.0000
36 Y B 0.0000
37 Q B -0.1185
38 Q B -0.6011
39 K B -1.3337
40 P B -1.0706
41 G B -1.3702
42 Q B -1.4634
43 A B -0.6146
44 P B 0.0000
45 V B 1.1785
46 L B 0.0000
47 V B 0.0000
48 I B 0.0000
49 Y B -0.5421
50 A B -0.4680
51 N B -0.5572
52 S B -0.9397
53 N B -1.5318
54 R B -1.9312
55 P B -0.9508
56 S B -0.9098
57 G B -0.8380
58 I B -0.7638
59 P B -1.2953
60 D B -2.2694
61 R B -1.5774
62 F B 0.0000
63 S B -1.2734
64 G B -0.8857
65 S B -0.5811
66 S B -0.5443
67 S B -0.7210
68 G B -1.3539
69 N B -1.5025
70 T B -0.7764
71 A B 0.0000
72 S B 0.0000
73 L B 0.0000
74 T B -1.0173
75 I B 0.0000
76 T B -1.3066
77 G B -1.0408
78 A B 0.0000
79 Q B -1.3652
80 A B -1.1821
81 E B -2.2687
82 D B 0.0000
83 E B 0.0000
84 A B 0.0000
85 D B 0.0000
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 -0.3200
92 D B 0.0000
93 A B -0.6475
94 S B -0.2707
95 L B -0.2481
96 N B -0.9671
97 G B 0.0000
98 W B 0.0000
99 V B 0.0000
100 F B -0.4757
101 G B 0.0000
102 G B -1.6219
103 G B 0.0000
104 T B 0.0000
105 K B -2.0424
106 L B 0.0000
107 T B -0.0691
108 V B 0.0000
109 L B 0.6992
110 G B -0.1411
111 Q B -0.5321
112 P B -1.2751
113 K B -2.5621
114 A B -1.9620
115 N B -2.1791
116 P B 0.0000
117 T B -0.5693
118 V B 0.0000
119 T B -0.2736
120 L B 0.0000
121 F B 0.0000
122 P B -0.0788
123 P B 0.0000
124 S B 0.0000
125 S B -1.4119
126 E B -2.2132
127 E B 0.0000
128 L B -2.0067
129 Q B -2.2287
130 A B -1.7713
131 N B -2.4342
132 K B -2.0603
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 -0.7566
141 D B -1.6270
142 F B 0.0000
143 Y B -1.3660
144 P B -1.0825
145 G B -0.8159
146 A B -0.4426
147 V B -0.3192
148 T B -0.2798
149 V B 0.0322
150 A B -0.4841
151 W B 0.0000
152 K B -1.2748
153 A B 0.0000
154 D B -1.6368
155 G B -1.2294
156 S B -0.9509
157 P B -0.9550
158 V B -0.9113
159 K B -1.6707
160 A B -0.7961
161 G B -0.6091
162 V B -0.4622
163 E B -0.5954
164 T B -0.5785
165 T B -1.0129
166 K B -1.7460
167 P B -0.9553
168 S B -0.8280
169 K B -1.0508
170 Q B -1.0718
171 S B -1.4148
172 N B -1.6214
173 N B 0.0000
174 K B -1.4209
175 Y B -0.7815
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 -0.3975
183 L B -0.9690
184 T B -1.6738
185 P B -2.3650
186 E B -3.1172
187 Q B -2.3523
188 W B 0.0000
189 K B -3.1183
190 S B -2.4601
191 H B -2.5037
192 R B -2.6616
193 S B -1.7268
194 Y B 0.0000
195 S B -0.9731
196 C B 0.0000
197 Q B -0.9813
198 V B 0.0000
199 T B -0.8646
200 H B 0.0000
201 E B -2.4624
202 G B -1.4065
203 S B -1.0366
204 T B -0.9520
205 V B -0.9313
206 E B -1.9409
207 K B -1.1900
208 T B -0.8145
209 V B 0.0000
210 A B 0.0000
211 P B -1.1045
212 T B -1.0418
213 E B -0.5880
214 C B -0.1223
215 S B -0.4572
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Laboratory of Theory of Biopolymers 2018