Project name: wt-lpp [mutate: EA159A, EA162A, RA267A, KA282A, FR155A, IK156A, FR155B, IK156B, EA159B, EA162B, RA267B, KA282B]

Status: done

Started: 2026-06-27 17:55:18
Settings
Chain sequence(s) A: MTSLFAAIQPYKTHLLRVSPLHRLSIKEYGNPQGKPVVFLHGGPGGGASDSDARRFNPTTYRIVLFDQRGSGESTPASCLEDNTTQALVEDIEKIREFLQVGAAWHVFGGSWGSTLALAYAQAHPARVKSLTLRGIFTLRKKELDFFYQGPGSSFIFPEYWEEYLDPIPVAERGDMVKAYYERLTGSDEKVRAEAGRAWSRWEMATSRLHVDPDYISKADAPGFADAFARIESHYFVNGGFMPEGELLKPENIAKISHIPAVIVQGRYDMVCPITTAYELTKLWPEAKFVVIPDAGHSAIEAGTEKALVEATEEFAKLA
B: MTSLFAAIQPYKTHLLRVSPLHRLSIKEYGNPQGKPVVFLHGGPGGGASDSDARRFNPTTYRIVLFDQRGSGESTPASCLEDNTTQALVEDIEKIREFLQVGAAWHVFGGSWGSTLALAYAQAHPARVKSLTLRGIFTLRKKELDFFYQGPGSSFIFPEYWEEYLDPIPVAERGDMVKAYYERLTGSDEKVRAEAGRAWSRWEMATSRLHVDPDYISKADAPGFADAFARIESHYFVNGGFMPEGELLKPENIAKISHIPAVIVQGRYDMVCPITTAYELTKLWPEAKFVVIPDAGHSAIEAGTEKALVEATEEFAKLA
input PDB
Selected Chain(s) A,B
Distance of aggregation 10 Å
FoldX usage Yes
Dynamic mode No
Automated mutations No
Mutated residues FR155B,IK156B,RA267B,EA159B,EA162B,EA159A,EA162A,KA282A,FR155A,KA282B,IK156A,RA267A
Energy difference between WT (input) and mutated protein (by FoldX) 23.6773 kcal/mol

CAUTION: Your mutation/s can destabilize the protein structure

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Simulation log
[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       FoldX:    Building mutant model                                                       (00:14:22)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:27:33)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:35:04)
[INFO]       Main:     Simulation completed successfully.                                          (00:35:12)
Show buried residues

Minimal score value
-3.6831
Maximal score value
0.974
Average score
-0.5885
Total score value
-375.4415

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 M A 0.9394
2 T A 0.4634
3 S A -0.3191
4 L A 0.2057
5 F A 0.3342
6 A A 0.1231
7 A A -0.1722
8 I A -0.4185
9 Q A -1.3754
10 P A -0.9967
11 Y A -0.5001
12 K A -1.4438
13 T A -0.5452
14 H A -0.0134
15 L A 0.6120
16 L A -0.2364
17 R A -1.8066
18 V A 0.0000
19 S A -0.8034
20 P A -0.4208
21 L A -0.4573
22 H A 0.0000
23 R A -1.3572
24 L A 0.0000
25 S A 0.0000
26 I A 0.0000
27 K A -0.9230
28 E A 0.0000
29 Y A 0.0000
30 G A -0.8136
31 N A -1.0169
32 P A -1.2164
33 Q A -1.6195
34 G A -1.2019
35 K A -1.1524
36 P A -0.8722
37 V A 0.0000
38 V A 0.0000
39 F A 0.0000
40 L A 0.0000
41 H A 0.0000
42 G A -0.1724
43 G A 0.0000
44 P A 0.0000
45 G A 0.0000
46 G A -0.2289
47 G A -0.6459
48 A A -0.7677
49 S A -0.7915
50 D A -1.2371
51 S A -0.7974
52 D A -0.5423
53 A A 0.0000
54 R A -0.5360
55 R A 0.0000
56 F A 0.0000
57 N A -0.4485
58 P A -0.3492
59 T A -0.5842
60 T A -0.9192
61 Y A 0.0000
62 R A -0.9637
63 I A 0.0000
64 V A 0.0000
65 L A 0.0000
66 F A 0.0000
67 D A 0.0000
68 Q A 0.0000
69 R A 0.0000
70 G A 0.0000
71 S A 0.0000
72 G A -1.3999
73 E A -1.9897
74 S A 0.0000
75 T A -0.7844
76 P A -0.5640
77 A A -0.5297
78 S A -0.3237
79 C A -0.5601
80 L A -1.0901
81 E A -2.3185
82 D A -2.2926
83 N A 0.0000
84 T A -0.9513
85 T A 0.0000
86 Q A -1.5058
87 A A 0.0000
88 L A 0.0000
89 V A 0.0000
90 E A -2.2534
91 D A 0.0000
92 I A 0.0000
93 E A -1.6490
94 K A -1.9853
95 I A 0.0000
96 R A 0.0000
97 E A -2.2080
98 F A -0.6165
99 L A 0.0000
100 Q A -1.7703
101 V A 0.0000
102 G A -1.2266
103 A A -0.7877
104 A A -0.6135
105 W A 0.0000
106 H A 0.0000
107 V A 0.0000
108 F A 0.0000
109 G A 0.0000
110 G A 0.0000
111 S A 0.0000
112 W A 0.0000
113 G A 0.0000
114 S A 0.0000
115 T A 0.0000
116 L A 0.0000
117 A A 0.0000
118 L A 0.0000
119 A A -0.2339
120 Y A 0.0000
121 A A 0.0000
122 Q A 0.0000
123 A A -0.6403
124 H A -0.8125
125 P A -0.8332
126 A A -0.5645
127 R A -0.8876
128 V A 0.0000
129 K A -0.8254
130 S A 0.0000
131 L A 0.0000
132 T A 0.0000
133 L A 0.0000
134 R A -0.0994
135 G A 0.0000
136 I A 0.0000
137 F A 0.0000
138 T A 0.0000
139 L A 0.0000
140 R A 0.0000
141 K A -2.9162
142 K A -2.7359
143 E A 0.0000
144 L A 0.0000
145 D A -1.9068
146 F A 0.0000
147 F A 0.0000
148 Y A 0.0000
149 Q A -1.2264
150 G A -0.7360
151 P A -0.6814
152 G A 0.0000
153 S A 0.0000
154 S A 0.0000
155 R A -0.3297 mutated: FR155A
156 K A 0.0000 mutated: IK156A
157 F A 0.0000
158 P A -0.0761
159 A A -0.0309 mutated: EA159A
160 Y A -0.1545
161 W A -0.3016
162 A A -0.6330 mutated: EA162A
163 E A -1.2923
164 Y A 0.0000
165 L A -0.7320
166 D A -1.7834
167 P A -1.0561
168 I A 0.0000
169 P A -0.0200
170 V A 0.9717
171 A A 0.0057
172 E A -1.2581
173 R A -1.4053
174 G A -1.6082
175 D A -2.4523
176 M A 0.0000
177 V A -1.0715
178 K A -1.8346
179 A A 0.0000
180 Y A 0.0000
181 Y A -1.0456
182 E A -2.2218
183 R A -2.1886
184 L A 0.0000
185 T A -1.2993
186 G A -1.9012
187 S A -2.0046
188 D A -3.0375
189 E A -3.6831
190 K A -3.3489
191 V A -2.1255
192 R A -2.8373
193 A A -2.7518
194 E A -3.0114
195 A A 0.0000
196 G A 0.0000
197 R A -2.3841
198 A A -1.7134
199 W A 0.0000
200 S A 0.0000
201 R A -1.0794
202 W A 0.0000
203 E A 0.0000
204 M A 0.0000
205 A A 0.0000
206 T A 0.0000
207 S A 0.0000
208 R A -0.5397
209 L A -1.0494
210 H A -1.4342
211 V A -0.5125
212 D A -1.0212
213 P A -1.2733
214 D A -2.0153
215 Y A -1.2321
216 I A -1.1836
217 S A -1.8293
218 K A -1.9432
219 A A 0.0000
220 D A -2.5644
221 A A -1.4143
222 P A -1.4323
223 G A -0.7938
224 F A -0.5815
225 A A 0.0000
226 D A -0.9179
227 A A 0.0000
228 F A 0.0000
229 A A 0.0000
230 R A -0.5038
231 I A 0.0000
232 E A 0.0000
233 S A 0.0000
234 H A -0.3605
235 Y A 0.0000
236 F A 0.0000
237 V A -0.3738
238 N A -0.6257
239 G A -1.0131
240 G A 0.0000
241 F A -0.2672
242 M A -0.6789
243 P A -1.2872
244 E A -2.6667
245 G A -1.8295
246 E A -1.6022
247 L A 0.0000
248 L A 0.0000
249 K A -1.7651
250 P A -1.5570
251 E A -2.4641
252 N A 0.0000
253 I A 0.0000
254 A A -1.3327
255 K A -1.6925
256 I A 0.0000
257 S A -1.2333
258 H A -1.5867
259 I A 0.0000
260 P A -0.9736
261 A A 0.0000
262 V A 0.0000
263 I A 0.0000
264 V A 0.0000
265 Q A 0.0000
266 G A 0.0000
267 A A -0.1900 mutated: RA267A
268 Y A 0.0000
269 D A 0.0000
270 M A 0.0000
271 V A 0.0000
272 C A 0.0000
273 P A 0.0000
274 I A 0.0000
275 T A -0.1593
276 T A 0.0000
277 A A 0.0000
278 Y A 0.2443
279 E A -0.4391
280 L A 0.0000
281 T A -0.3348
282 A A -0.0769 mutated: KA282A
283 L A 0.0901
284 W A 0.0000
285 P A -1.0953
286 E A -2.2981
287 A A 0.0000
288 K A -1.3299
289 F A 0.0913
290 V A 0.6488
291 V A 0.7808
292 I A 0.0000
293 P A -0.5679
294 D A -1.7027
295 A A 0.0000
296 G A 0.0000
297 H A 0.0000
298 S A 0.0000
299 A A 0.1361
300 I A 0.6555
301 E A 0.0000
302 A A -0.1464
303 G A -0.5471
304 T A 0.0000
305 E A -0.6912
306 K A -1.4944
307 A A -1.2380
308 L A 0.0000
309 V A 0.0000
310 E A -2.6970
311 A A 0.0000
312 T A 0.0000
313 E A -2.2332
314 E A -2.4045
315 F A 0.0000
316 A A -1.6110
317 K A -2.0515
318 L A -0.9128
319 A A -0.3415
1 M B 0.9346
2 T B 0.4523
3 S B -0.2943
4 L B 0.1777
5 F B 0.3348
6 A B 0.1267
7 A B -0.1692
8 I B -0.3800
9 Q B -1.2862
10 P B -0.8165
11 Y B -0.1749
12 K B -1.1345
13 T B -0.4224
14 H B -0.0198
15 L B 0.4981
16 L B -0.2853
17 R B -1.8264
18 V B 0.0000
19 S B -0.7977
20 P B -0.4240
21 L B -0.4619
22 H B 0.0000
23 R B -1.3761
24 L B 0.0000
25 S B 0.0000
26 I B 0.0000
27 K B -0.8182
28 E B 0.0000
29 Y B 0.0000
30 G B -0.7257
31 N B -0.9387
32 P B -1.0712
33 Q B -1.5613
34 G B -1.1519
35 K B -1.0619
36 P B -0.7582
37 V B 0.0000
38 V B 0.0000
39 F B 0.0000
40 L B 0.0000
41 H B 0.0000
42 G B -0.1673
43 G B 0.0000
44 P B 0.0000
45 G B 0.0000
46 G B -0.2025
47 G B -0.6306
48 A B -0.7655
49 S B -0.7876
50 D B -1.2270
51 S B -0.7973
52 D B -0.5997
53 A B 0.0000
54 R B -0.5319
55 R B 0.0000
56 F B 0.0000
57 N B -0.5032
58 P B -0.3302
59 T B -0.5708
60 T B -0.9423
61 Y B 0.0000
62 R B -0.8887
63 I B 0.0000
64 V B 0.0000
65 L B 0.0000
66 F B 0.0000
67 D B 0.0000
68 Q B 0.0000
69 R B 0.0000
70 G B 0.0000
71 S B 0.0000
72 G B -1.3883
73 E B -2.0037
74 S B 0.0000
75 T B -0.7940
76 P B -0.5609
77 A B -0.5143
78 S B 0.0000
79 C B -0.5458
80 L B -1.0785
81 E B -2.3045
82 D B -2.2684
83 N B 0.0000
84 T B -0.9416
85 T B 0.0000
86 Q B -1.5645
87 A B -1.4291
88 L B 0.0000
89 V B 0.0000
90 E B -2.3819
91 D B 0.0000
92 I B 0.0000
93 E B -1.6830
94 K B -1.9873
95 I B 0.0000
96 R B 0.0000
97 E B -2.1491
98 F B -0.5657
99 L B 0.0000
100 Q B -1.6670
101 V B -1.0837
102 G B -1.1237
103 A B -0.7233
104 A B -0.5142
105 W B 0.0000
106 H B 0.0000
107 V B 0.0000
108 F B 0.0000
109 G B 0.0000
110 G B 0.0000
111 S B 0.0000
112 W B 0.0000
113 G B 0.0000
114 S B 0.0000
115 T B 0.0000
116 L B 0.0000
117 A B 0.0000
118 L B 0.0000
119 A B -0.2376
120 Y B 0.0000
121 A B 0.0000
122 Q B 0.0000
123 A B -0.6555
124 H B -0.8186
125 P B -0.7997
126 A B -0.5265
127 R B -0.8408
128 V B 0.0000
129 K B -0.5855
130 S B 0.0000
131 L B 0.0000
132 T B 0.0000
133 L B 0.0000
134 R B -0.0988
135 G B 0.0000
136 I B 0.0000
137 F B 0.0000
138 T B 0.0000
139 L B 0.0000
140 R B 0.0000
141 K B -2.7644
142 K B -2.4568
143 E B 0.0000
144 L B 0.0000
145 D B -1.7571
146 F B 0.0000
147 F B 0.0000
148 Y B 0.0000
149 Q B -1.1778
150 G B -0.6908
151 P B -0.7163
152 G B 0.0000
153 S B 0.0000
154 S B 0.0000
155 R B -0.2185 mutated: FR155B
156 K B 0.0000 mutated: IK156B
157 F B 0.0000
158 P B -0.1026
159 A B -0.0587 mutated: EA159B
160 Y B -0.1790
161 W B -0.3243
162 A B -0.6603 mutated: EA162B
163 E B -1.3626
164 Y B 0.0000
165 L B -0.7540
166 D B -1.8058
167 P B -1.1178
168 I B 0.0000
169 P B -0.0658
170 V B 0.9740
171 A B 0.0072
172 E B -1.2512
173 R B -1.4046
174 G B -1.6249
175 D B -2.4544
176 M B 0.0000
177 V B -1.0559
178 K B -1.8214
179 A B 0.0000
180 Y B 0.0000
181 Y B -1.0449
182 E B -2.2252
183 R B -2.1801
184 L B 0.0000
185 T B -1.2929
186 G B -1.8810
187 S B -1.9691
188 D B -2.9649
189 E B -3.6521
190 K B -3.3213
191 V B -2.0881
192 R B -2.8451
193 A B -2.7561
194 E B -3.0182
195 A B 0.0000
196 G B 0.0000
197 R B -2.3937
198 A B -1.7324
199 W B 0.0000
200 S B 0.0000
201 R B -1.0797
202 W B 0.0000
203 E B 0.0000
204 M B 0.0000
205 A B 0.0000
206 T B 0.0000
207 S B 0.0000
208 R B -0.5071
209 L B -0.9101
210 H B -1.0375
211 V B -0.1517
212 D B -0.8411
213 P B -1.1847
214 D B -1.9790
215 Y B -1.1798
216 I B -1.1407
217 S B -1.8227
218 K B -1.9145
219 A B 0.0000
220 D B -2.5623
221 A B -1.4010
222 P B -1.4237
223 G B -0.7721
224 F B -0.5377
225 A B 0.0000
226 D B -0.9151
227 A B 0.0000
228 F B 0.0000
229 A B 0.0000
230 R B -0.5013
231 I B 0.0000
232 E B 0.0000
233 S B 0.0000
234 H B -0.3381
235 Y B 0.0000
236 F B 0.0000
237 V B -0.3319
238 N B -0.5416
239 G B -0.9706
240 G B 0.0000
241 F B -0.2371
242 M B -0.6658
243 P B -1.2760
244 E B -2.6490
245 G B -1.8275
246 E B -1.6316
247 L B 0.0000
248 L B 0.0000
249 K B -1.8665
250 P B -1.6079
251 E B -2.4963
252 N B 0.0000
253 I B 0.0000
254 A B -1.3479
255 K B -1.6932
256 I B 0.0000
257 S B -1.2415
258 H B -1.5928
259 I B 0.0000
260 P B -0.9627
261 A B 0.0000
262 V B 0.0000
263 I B 0.0000
264 V B 0.0000
265 Q B 0.0000
266 G B 0.0000
267 A B -0.3648 mutated: RA267B
268 Y B 0.0000
269 D B 0.0000
270 M B 0.0000
271 V B 0.0000
272 C B 0.0000
273 P B 0.0000
274 I B 0.0000
275 T B 0.0000
276 T B 0.0000
277 A B 0.0000
278 Y B 0.2897
279 E B -0.3363
280 L B 0.0000
281 T B -0.3455
282 A B -0.0407 mutated: KA282B
283 L B 0.1054
284 W B 0.0000
285 P B -1.1437
286 E B -2.3640
287 A B 0.0000
288 K B -1.6152
289 F B -0.0879
290 V B 0.4897
291 V B 0.6533
292 I B 0.0000
293 P B -0.9359
294 D B -2.2138
295 A B 0.0000
296 G B 0.0000
297 H B 0.0000
298 S B 0.0000
299 A B 0.0522
300 I B 0.4286
301 E B 0.0000
302 A B -0.2400
303 G B -0.6500
304 T B 0.0000
305 E B 0.0000
306 K B -1.4424
307 A B -1.2255
308 L B 0.0000
309 V B 0.0000
310 E B -2.8199
311 A B 0.0000
312 T B 0.0000
313 E B -2.6074
314 E B -2.7253
315 F B 0.0000
316 A B -1.7523
317 K B -2.1429
318 L B -0.8922
319 A B -0.2830
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Laboratory of Theory of Biopolymers 2018