Project name: L106S_stabilizing

Status: done

Started: 2026-04-21 06:19:44
Settings
Chain sequence(s) A: EVQLLESGGGLVQPGGSLRLSCAASGFTFSNAWMSWVRQAPGKGLEWVSSISVGGHRTYYADSVKGRSTISRDNSKNTLYLQMNSLRAEDTAVYYCARIRVGPSGGAFDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEGGGSGGGSSRGQYSREDNNCTHFPVGQSHMLLELRTAFSQVKTFFQTKDQLDNILLTDSLMQDFKGYLGCQALSEMIQFYLVEVMPQAEKHGPEIKEHLNSLGEKLKTLRMRLRRCHRFLPCENKSKAVEQVKSDFNKLQDQGVYKAMNEFDIFINCIEAYMMIKMKSHHHHHH
B: SELTQDPAVSVALGQTVRITCSGSNTNIGKNYVSWYQQKPGQAPVLVIYANSNRPSGIPDRFSGSSSGNTASLTITGAQAEDEADYYCASWDASLNGWVFGGGTKSTVLGQPKANPTVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADGSPVKAGVETTKPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPTECS
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                                          (00:08:03)
[INFO]       Main:     Simulation completed successfully.                                          (00:08:08)
Show buried residues

Minimal score value
-3.4494
Maximal score value
1.3617
Average score
-0.7332
Total score value
-446.5264

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 0.5005
6 E A 0.0000
7 S A -0.3334
8 G A -0.7571
9 G A 0.0000
10 G A -0.4393
11 L A -0.1027
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 -1.0385
19 R A -1.8311
20 L A 0.0000
21 S A -0.3539
22 C A 0.0000
23 A A -0.2125
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 -0.0334
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 -1.4205
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 -1.9765
58 T A -0.8986
59 Y A -0.7128
60 Y A -0.9109
61 A A -1.4576
62 D A -2.4772
63 S A -1.7741
64 V A 0.0000
65 K A -2.5913
66 G A -1.7816
67 R A -1.5138
68 S A 0.0000
69 T A -0.8010
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 -0.4684
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 -2.3696
88 A A -1.7648
89 E A -2.2440
90 D A 0.0000
91 T A -0.7563
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 0.0696
101 V A 1.0357
102 G A 0.3835
103 P A -0.0077
104 S A -0.2545
105 G A -0.0387
106 G A 0.3528
107 A A 0.0000
108 F A 0.0000
109 D A 0.3417
110 Y A 0.5120
111 W A 0.2879
112 G A 0.0000
113 Q A -1.1463
114 G A 0.0000
115 T A -0.0198
116 L A 0.0679
117 V A 0.0000
118 T A -0.4418
119 V A 0.0000
120 S A -0.9886
121 S A -0.7373
122 A A -0.4386
123 S A -0.5868
124 T A -0.6673
125 K A -1.1136
126 G A -1.2984
127 P A 0.0000
128 S A -0.2485
129 V A 0.0000
130 F A 0.0000
131 P A -1.0125
132 L A 0.0000
133 A A -0.7844
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 -0.4154
141 G A 0.0000
142 G A 0.0000
143 T A 0.0000
144 A A 0.0000
145 A A 0.0040
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 -0.3538
153 Y A 0.0000
154 F A -0.1498
155 P A 0.0000
156 E A -0.3715
157 P A -0.6418
158 V A -0.6201
159 T A -0.6045
160 V A -0.3439
161 S A -0.3918
162 W A 0.0000
163 N A -0.7404
164 S A -0.6559
165 G A -0.4573
166 A A -0.2145
167 L A 0.0247
168 T A -0.1991
169 S A -0.2792
170 G A -0.3469
171 V A 0.1267
172 H A -0.1803
173 T A -0.0412
174 F A 0.0000
175 P A -0.3046
176 A A 0.0930
177 V A 0.0000
178 L A 1.0379
179 Q A 0.0000
180 S A -0.0985
181 S A -0.1814
182 G A 0.0645
183 L A 0.2056
184 Y A 0.4488
185 S A 0.0000
186 L A 0.0000
187 S A 0.0000
188 S A 0.0000
189 V A 0.1529
190 V A 0.0000
191 T A -0.1586
192 V A 0.0000
193 P A -0.7867
194 S A 0.0000
195 S A -0.8717
196 S A -0.7443
197 L A -1.0586
198 G A -1.1542
199 T A -0.7591
200 Q A -1.2912
201 T A -1.1650
202 Y A 0.0000
203 I A -1.2026
204 C A 0.0000
205 N A -1.4671
206 V A 0.0000
207 N A -1.9678
208 H A 0.0000
209 K A -2.7532
210 P A -1.4794
211 S A -1.7665
212 N A -2.5963
213 T A -2.0750
214 K A -2.6923
215 V A -1.5867
216 D A -2.4715
217 K A -2.0299
218 K A -2.4193
219 V A 0.0000
220 E A -2.5707
221 G A -1.6167
222 G A -1.0687
223 G A -0.9131
224 S A 0.0000
225 G A -0.6338
226 G A 0.0000
227 G A 0.0000
228 S A -1.3655
229 S A -1.5460
230 R A -2.1846
231 G A -1.6599
232 Q A -1.8993
233 Y A -1.4193
234 S A -1.9089
235 R A -3.1421
236 E A -3.0599
237 D A -3.4494
238 N A -2.9183
239 N A -2.4165
240 C A -1.3137
241 T A -0.5655
242 H A -0.7719
243 F A 0.0000
244 P A 0.7076
245 V A 1.3617
246 G A 0.0000
247 Q A 0.0000
248 S A 0.5629
249 H A 0.1048
250 M A 0.0000
251 L A 0.0000
252 L A 1.1592
253 E A 0.0000
254 L A 0.0000
255 R A -0.4183
256 T A -0.1513
257 A A 0.0000
258 F A 0.0000
259 S A -0.8936
260 Q A -0.8697
261 V A 0.0000
262 K A -1.2383
263 T A -0.8635
264 F A -0.3908
265 F A 0.0000
266 Q A -1.8154
267 T A -1.2827
268 K A -1.5399
269 D A -1.9589
270 Q A -2.1865
271 L A -1.4363
272 D A -2.1683
273 N A -1.4440
274 I A 0.3231
275 L A 0.0000
276 L A 0.0000
277 T A -0.8610
278 D A -1.9403
279 S A -1.7792
280 L A 0.0000
281 M A -1.6667
282 Q A -2.1474
283 D A -1.4766
284 F A 0.0000
285 K A -1.3755
286 G A -0.5489
287 Y A 0.7819
288 L A -0.4036
289 G A 0.0000
290 C A 0.0000
291 Q A 0.0000
292 A A 0.0000
293 L A 0.0000
294 S A -0.8076
295 E A -1.4252
296 M A 0.0000
297 I A 0.0000
298 Q A -0.4915
299 F A 0.0000
300 Y A 0.0000
301 L A -0.2686
302 V A -0.3394
303 E A -1.0333
304 V A 0.0000
305 M A 0.0000
306 P A 0.0000
307 Q A -1.5679
308 A A 0.0000
309 E A 0.0000
310 K A -2.2284
311 H A -1.5153
312 G A -1.7420
313 P A -1.8088
314 E A -2.0104
315 I A 0.0000
316 K A 0.0000
317 E A -0.6650
318 H A -0.7066
319 L A 0.0000
320 N A 0.0000
321 S A 0.0000
322 L A 0.0000
323 G A -0.2088
324 E A -0.3353
325 K A 0.0000
326 L A 0.0000
327 K A -0.2935
328 T A 0.0000
329 L A 0.0000
330 R A 0.0000
331 M A -0.6361
332 R A -1.4594
333 L A 0.0000
334 R A -1.8716
335 R A -2.8121
336 C A 0.0000
337 H A -2.3070
338 R A -2.0400
339 F A 0.0000
340 L A 0.0000
341 P A -1.6764
342 C A -1.5892
343 E A -2.8568
344 N A -3.1830
345 K A -3.3745
346 S A 0.0000
347 K A -3.0043
348 A A -2.1692
349 V A 0.0000
350 E A -2.9041
351 Q A -2.6593
352 V A 0.0000
353 K A -2.3288
354 S A -2.1166
355 D A -2.0772
356 F A 0.0000
357 N A -3.2298
358 K A -3.1400
359 L A -2.2552
360 Q A -3.1174
361 D A -3.0156
362 Q A -2.3688
363 G A 0.0000
364 V A 0.0000
365 Y A -1.2480
366 K A 0.0000
367 A A 0.0000
368 M A 0.0000
369 N A -0.6708
370 E A 0.0000
371 F A 0.0000
372 D A -0.6783
373 I A -0.1064
374 F A 0.0000
375 I A 0.0000
376 N A -1.1257
377 C A 0.0000
378 I A 0.0000
379 E A -0.6209
380 A A -0.5555
381 Y A 0.0000
382 M A 0.0000
383 M A 0.1008
384 I A -0.1746
385 K A -0.9057
386 M A -1.0025
387 K A -2.1349
388 S A -2.0516
389 H A -2.3315
390 H A -3.0159
391 H A -3.1823
392 H A -2.8902
393 H A -2.6488
394 H A -2.4768
1 S B -1.0728
2 E B -1.8401
3 L B 0.0000
4 T B -1.1808
5 Q B -1.2487
6 D B -2.2285
7 P B -1.6211
8 A B -1.1458
9 V B -0.7214
10 S B -0.1335
11 V B 0.0000
12 A B -0.1109
13 L B -0.1645
14 G B -0.9956
15 Q B -1.3460
16 T B -1.2893
17 V B 0.0000
18 R B -1.8486
19 I B 0.0000
20 T B -0.9676
21 C B 0.0000
22 S B -0.9633
23 G B -1.2708
24 S B -1.6515
25 N B -2.2034
26 T B -1.5742
27 N B 0.0000
28 I B 0.0000
29 G B -2.0399
30 K B -2.2848
31 N B -1.0833
32 Y B -0.0241
33 V B 0.0000
34 S B 0.0000
35 W B 0.0000
36 Y B 0.0000
37 Q B -0.1817
38 Q B -0.6763
39 K B -1.4044
40 P B -1.1264
41 G B -1.3631
42 Q B -1.4370
43 A B -0.5986
44 P B 0.0000
45 V B 1.1979
46 L B 0.0000
47 V B 0.0000
48 I B 0.0000
49 Y B -0.5073
50 A B -0.4496
51 N B -0.5428
52 S B -0.9174
53 N B -1.4587
54 R B -1.7772
55 P B -0.8764
56 S B -0.8733
57 G B -0.8164
58 I B -0.7158
59 P B -1.2559
60 D B -2.2098
61 R B -1.4900
62 F B 0.0000
63 S B -1.2385
64 G B -0.8732
65 S B -0.5833
66 S B -0.5411
67 S B -0.7192
68 G B -1.3569
69 N B -1.5113
70 T B -0.7800
71 A B 0.0000
72 S B 0.0000
73 L B 0.0000
74 T B -1.0078
75 I B 0.0000
76 T B -1.2704
77 G B -1.0323
78 A B 0.0000
79 Q B -1.3803
80 A B -1.2446
81 E B -2.3310
82 D B 0.0000
83 E B -1.3053
84 A B 0.0000
85 D B -1.2106
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 -0.3222
92 D B 0.0000
93 A B -0.6504
94 S B -0.2746
95 L B -0.2538
96 N B -0.9702
97 G B 0.0000
98 W B 0.0000
99 V B 0.0000
100 F B -0.4758
101 G B 0.0000
102 G B -1.6409
103 G B 0.0000
104 T B 0.0000
105 K B -2.1511
106 S B 0.0000
107 T B -0.2046
108 V B 0.0000
109 L B 0.5140
110 G B -0.1806
111 Q B 0.0000
112 P B -1.1377
113 K B -2.2949
114 A B -1.4409
115 N B -1.1336
116 P B 0.0000
117 T B -0.3483
118 V B 0.0000
119 T B -0.0561
120 L B 0.0000
121 F B 0.0000
122 P B 0.0000
123 P B 0.0000
124 S B 0.0000
125 S B -1.6028
126 E B -2.5875
127 E B 0.0000
128 L B -2.2215
129 Q B -2.4097
130 A B -1.9733
131 N B -2.6594
132 K B -2.4767
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 -0.6014
141 D B -1.4084
142 F B 0.0000
143 Y B -1.1077
144 P B -0.9212
145 G B -0.8034
146 A B -0.4372
147 V B -0.3029
148 T B -0.2823
149 V B 0.1941
150 A B -0.2938
151 W B 0.0000
152 K B -0.9993
153 A B 0.0000
154 D B -1.7963
155 G B -1.4730
156 S B -0.8904
157 P B -0.9015
158 V B -0.8694
159 K B -1.6533
160 A B -0.7778
161 G B -0.5493
162 V B -0.4140
163 E B -0.2776
164 T B -0.3581
165 T B -0.7568
166 K B -1.7388
167 P B -0.9412
168 S B -0.8247
169 K B -1.0702
170 Q B -1.0941
171 S B -1.4464
172 N B -1.6879
173 N B 0.0000
174 K B -1.3201
175 Y B -0.7832
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 -0.3915
183 L B -1.0103
184 T B -1.7730
185 P B -2.4586
186 E B -3.1584
187 Q B -2.3425
188 W B 0.0000
189 K B -3.1058
190 S B -2.4549
191 H B -2.4723
192 R B -2.6463
193 S B -1.8947
194 Y B 0.0000
195 S B -0.6523
196 C B 0.0000
197 Q B -0.2545
198 V B 0.0000
199 T B -0.4856
200 H B 0.0000
201 E B -2.2789
202 G B -1.3404
203 S B -0.8765
204 T B -0.4953
205 V B -0.0427
206 E B -0.4185
207 K B 0.0000
208 T B 0.0000
209 V B 0.0000
210 A B 0.0000
211 P B -1.0234
212 T B -0.8499
213 E B -0.3125
214 C B 0.1965
215 S B -0.2971
Download PDB file
View in 3Dmol
Play the video

Laboratory of Theory of Biopolymers 2018