Project name: PLGL [mutate: LR371A]

Status: done

Started: 2026-06-13 16:58:59
Settings
Chain sequence(s) A: QPGGNRTESPEPNATATPAIPTILVTSVTSETPATSAPEAEGPQSGGLPPPPRAVPSSSSPQAQALTEDGRPCRFPFRYGGRMLHACTSEGSAHRKWCATTHNYDRDRAWGYCVEATPPPGGPAALDPCASGPCLNGGSCSNTQDPQSYHCSCPRAFTGKDCGTEKCFDETRYEYLEGGDRWARVRQGHVEQCECFGGRTWCEGTRHTACLSSPCLNGGTCHLIVATGTTVCACPPGFAGRLCNIEPDERCFLGNGTGYRGVASTSASGLSCLAWNSDLLYQELHVDSVGAAALLGLGPHAYCRNPDNDERPWCYVVKDSALSWEYCRLEACESLTRVQLSPDLLATLPEPASPGRQACGRRHKKRTFLPLG
B: LIGGSSSLPGSHPWLAAIYIGDSFCAGSLVHTCWVVSAAHCFSHSPPRDSVSVVLGQHFFNRTTDVTQTFGIEKYIPYTLYSVFNPSDHDLVLIRLKKKGDRCATRSQFVQPICLPEPGSTFPAGHKCQIAGWGHLDENVSGYSSSLREALVPLVADHKCSSPEVYGADISPNMLCAGYFDCKSDACQGDSGGPLACEKNGVAYLYGIISWGDGCGRLHKPGVYTRVANYVDWINDRIRPPRRLVAPS
input PDB
Selected Chain(s) A,B
Distance of aggregation 10 Å
FoldX usage Yes
Dynamic mode No
Automated mutations No
Mutated residues LR371A
Energy difference between WT (input) and mutated protein (by FoldX) -0.175705 kcal/mol
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]       FoldX:    Building mutant model                                                       (00:02:36)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:02:50)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:05:23)
[INFO]       Main:     Simulation completed successfully.                                          (00:05:28)
Show buried residues

Minimal score value
-4.2702
Maximal score value
3.4098
Average score
-0.6791
Total score value
-421.0539

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 -1.4746
2 P A -1.3507
3 G A -1.6448
4 G A -2.0185
5 N A -2.7845
6 R A -3.2062
7 T A -2.3551
8 E A -2.8862
9 S A -1.9502
10 P A -1.8853
11 E A -2.6036
12 P A -1.8451
13 N A -1.8144
14 A A -0.8801
15 T A -0.4695
16 A A -0.2300
17 T A 0.0437
18 P A 0.1466
19 A A 0.8565
20 I A 2.0452
21 P A 1.1330
22 T A 1.6576
23 I A 3.2768
24 L A 3.4098
25 V A 3.0604
26 T A 1.4725
27 S A 1.2398
28 V A 1.7460
29 T A 0.2526
30 S A -0.8511
31 E A -2.0321
32 T A -1.1382
33 P A -0.6910
34 A A -0.3384
35 T A -0.2288
36 S A -0.5408
37 A A -0.5969
38 P A -1.3899
39 E A -2.4798
40 A A -1.9318
41 E A -2.7749
42 G A -2.0276
43 P A -1.6438
44 Q A -2.0055
45 S A -1.0795
46 G A -0.7776
47 G A -0.2998
48 L A 0.9263
49 P A 0.0649
50 P A -0.5621
51 P A -0.8116
52 P A -1.0760
53 R A -1.5694
54 A A -0.2070
55 V A 0.9843
56 P A 0.1178
57 S A -0.0005
58 S A -0.3183
59 S A -0.8118
60 S A -0.9090
61 P A -1.3995
62 Q A -1.9219
63 A A -1.1435
64 Q A -1.5738
65 A A -0.8690
66 L A -0.8645
67 T A 0.0000
68 E A -2.6517
69 D A -2.8477
70 G A -1.9556
71 R A -1.9263
72 P A -1.2075
73 C A 0.0000
74 R A -0.9013
75 F A -0.2984
76 P A -0.1946
77 F A 0.0000
78 R A 0.0000
79 Y A -0.4113
80 G A -0.2598
81 G A -0.0854
82 R A -0.5349
83 M A 0.0000
84 L A 0.0000
85 H A -0.6188
86 A A -0.6696
87 C A -0.6616
88 T A 0.0000
89 S A -1.4799
90 E A -1.1247
91 G A -0.9671
92 S A -1.1451
93 A A -1.0781
94 H A -1.8525
95 R A -2.2483
96 K A -1.8543
97 W A 0.0000
98 C A 0.0000
99 A A 0.0000
100 T A -0.6125
101 T A -0.9674
102 H A -0.9340
103 N A 0.0000
104 Y A -1.1824
105 D A -1.3034
106 R A -1.9668
107 D A -2.0734
108 R A -2.3221
109 A A -1.0829
110 W A -0.2502
111 G A -0.7195
112 Y A -0.9905
113 C A 0.0000
114 V A -0.7243
115 E A -1.7403
116 A A -0.6019
117 T A -0.6423
118 P A -0.8633
119 P A -0.8441
120 P A -0.8478
121 G A -0.9743
122 G A -0.9155
123 P A -0.3319
124 A A -0.1180
125 A A -0.1062
126 L A 0.6217
127 D A -1.1657
128 P A -0.9348
129 C A -0.7401
130 A A -0.3046
131 S A -0.3930
132 G A -0.5417
133 P A -0.2680
134 C A -0.4052
135 L A 0.0751
136 N A -1.0476
137 G A -0.6744
138 G A -0.8003
139 S A -0.4412
140 C A -0.4025
141 S A -1.2683
142 N A -2.0978
143 T A -1.5299
144 Q A -1.6119
145 D A -1.5908
146 P A -1.5981
147 Q A -1.7705
148 S A -1.4905
149 Y A -1.3440
150 H A -0.9455
151 C A 0.0000
152 S A -0.5532
153 C A -0.8768
154 P A -1.0784
155 R A -1.6335
156 A A -1.2157
157 F A -1.6058
158 T A -1.5829
159 G A -1.5038
160 K A -1.8537
161 D A -1.2310
162 C A 0.0000
163 G A -1.2336
164 T A -1.7614
165 E A -2.5616
166 K A -1.8469
167 C A 0.0000
168 F A -0.3855
169 D A 0.0000
170 E A -1.7076
171 T A -1.2081
172 R A -0.8066
173 Y A -0.4936
174 E A 0.0000
175 Y A -0.4728
176 L A 0.0000
177 E A -2.1346
178 G A -1.7610
179 G A -1.2857
180 D A -2.2604
181 R A -2.5738
182 W A 0.0000
183 A A 0.0000
184 R A 0.0000
185 V A -1.2912
186 R A -2.1764
187 Q A -2.1375
188 G A -1.7720
189 H A -2.4867
190 V A 0.0000
191 E A -1.8072
192 Q A -1.7304
193 C A 0.0000
194 E A -1.8194
195 C A 0.0000
196 F A 0.0835
197 G A -0.9199
198 G A -1.4410
199 R A -1.6909
200 T A -0.5991
201 W A -0.1116
202 C A -1.0906
203 E A -2.1364
204 G A -2.1272
205 T A -1.7031
206 R A -1.8658
207 H A -1.0835
208 T A -0.0631
209 A A 0.4767
210 C A 0.6327
211 L A 1.4672
212 S A 0.4634
213 S A 0.0562
214 P A -0.0610
215 C A -0.3490
216 L A -0.1629
217 N A -1.1344
218 G A -0.8708
219 G A -0.5442
220 T A -0.2517
221 C A 0.0000
222 H A -0.0292
223 L A 0.2971
224 I A 0.0000
225 V A 0.9503
226 A A 0.3189
227 T A -0.0038
228 G A 0.0420
229 T A 0.0117
230 T A -0.1143
231 V A 0.0000
232 C A 0.0000
233 A A -0.6105
234 C A -0.3317
235 P A -0.3515
236 P A -0.3203
237 G A -0.9241
238 F A -0.4878
239 A A 0.0000
240 G A 0.0000
241 R A -0.8363
242 L A -0.1046
243 C A 0.0000
244 N A 0.0000
245 I A 0.0000
246 E A -1.3782
247 P A -1.6686
248 D A -2.6386
249 E A -2.2702
250 R A -2.7809
251 C A -1.6072
252 F A 0.0000
253 L A 0.6679
254 G A -0.4726
255 N A -1.4035
256 G A 0.0000
257 T A -0.9961
258 G A -0.2274
259 Y A 0.0000
260 R A -0.8618
261 G A 0.0000
262 V A -0.4730
263 A A -0.5718
264 S A -0.3900
265 T A -0.5500
266 S A 0.0000
267 A A -0.8460
268 S A -0.6658
269 G A -0.6621
270 L A -0.1975
271 S A -0.3563
272 C A 0.0000
273 L A -0.0670
274 A A -0.2843
275 W A 0.0000
276 N A -1.2477
277 S A -0.7651
278 D A -1.2913
279 L A -0.5329
280 L A 0.0000
281 Y A -0.4613
282 Q A 0.0949
283 E A 0.0000
284 L A -0.1850
285 H A -0.9201
286 V A -0.8524
287 D A -1.8752
288 S A -0.5574
289 V A -0.2183
290 G A -0.3826
291 A A 0.2815
292 A A 0.3206
293 A A 0.9021
294 L A 1.7322
295 L A 0.7941
296 G A 0.0000
297 L A 0.0000
298 G A -0.2974
299 P A -0.4182
300 H A 0.0000
301 A A -0.2285
302 Y A 0.0000
303 C A 0.0000
304 R A 0.0000
305 N A 0.0000
306 P A -0.5921
307 D A -1.8546
308 N A -2.3153
309 D A 0.0000
310 E A -2.6320
311 R A -2.1321
312 P A 0.0000
313 W A 0.0000
314 C A 0.0000
315 Y A 0.0000
316 V A 0.0000
317 V A -0.3016
318 K A -1.4578
319 D A -2.1578
320 S A -1.2089
321 A A 0.0000
322 L A 0.0000
323 S A 0.0000
324 W A 0.0000
325 E A -0.5034
326 Y A -0.7969
327 C A 0.0000
328 R A -2.1794
329 L A -1.9804
330 E A -2.4332
331 A A -1.1669
332 C A -0.9101
333 E A -1.0932
334 S A -1.0262
335 L A -0.5496
336 T A -0.6394
337 R A -0.7839
338 V A 0.5899
339 Q A -0.5471
340 L A -0.0225
341 S A -0.4074
342 P A -0.6935
343 D A -1.2424
344 L A 0.4506
345 L A 0.3749
346 A A -0.0345
347 T A 0.2433
348 L A 0.7872
349 P A -0.6170
350 E A -1.7347
351 P A -1.0953
352 A A -1.1239
353 S A -1.2600
354 P A -1.3703
355 G A -1.8753
356 R A -3.0052
357 Q A -2.5315
358 A A -1.7070
359 C A -1.0412
360 G A 0.0000
361 R A -2.5575
362 R A 0.0000
363 H A -1.0200
364 K A -0.7225
365 K A 0.0000
366 R A 0.2078
367 T A 1.0870
368 F A 2.1404
369 L A 1.6922
370 P A 0.0195
371 R A -1.4689 mutated: LR371A
372 G A -1.1931
1 L B 0.0000
2 I B -0.6173
3 G B -0.9016
4 G B -0.5140
5 S B -0.3594
6 S B 0.0000
7 S B 0.0000
8 L B 0.0000
9 P B -0.1983
10 G B -0.1889
11 S B 0.0000
12 H B 0.0000
13 P B 0.0000
14 W B 0.0000
15 L B 0.0000
16 A B 0.0000
17 A B 0.0000
18 I B 0.0000
19 Y B -0.5680
20 I B 0.0000
21 G B -1.8084
22 D B -2.0310
23 S B -1.0456
24 F B 0.0000
25 C B 0.0000
26 A B 0.0000
27 G B 0.0000
28 S B 0.0000
29 L B 0.0000
30 V B 0.0480
31 H B -0.4955
32 T B -1.1203
33 C B 0.0000
34 W B 0.0000
35 V B 0.0000
36 V B 0.0000
37 S B 0.0000
38 A B 0.0000
39 A B 0.0000
40 H B -0.3899
41 C B 0.0000
42 F B 0.0000
43 S B -0.0971
44 H B -0.9791
45 S B -0.8826
46 P B 0.0000
47 P B -2.0773
48 R B -3.4059
49 D B -3.1808
50 S B -2.0283
51 V B 0.0000
52 S B -0.7933
53 V B 0.0000
54 V B 0.0000
55 L B 0.0000
56 G B -0.3603
57 Q B 0.0000
58 H B -0.4103
59 F B 0.0000
60 F B -0.6924
61 N B -1.6566
62 R B -1.7245
63 T B -1.2162
64 T B -1.3838
65 D B -1.5759
66 V B -0.3655
67 T B -0.4987
68 Q B -0.3200
69 T B -0.3356
70 F B 0.0000
71 G B -2.1445
72 I B 0.0000
73 E B -2.8818
74 K B -2.2168
75 Y B -0.6897
76 I B 0.1629
77 P B 0.3461
78 Y B 0.6682
79 T B 0.8283
80 L B 1.6653
81 Y B 1.0242
82 S B 1.1828
83 V B 1.8962
84 F B 1.9648
85 N B -0.0958
86 P B 0.1152
87 S B -0.5572
88 D B -0.6005
89 H B -0.3546
90 D B 0.0000
91 L B 0.0000
92 V B 0.0000
93 L B 0.0000
94 I B 0.0000
95 R B -1.4142
96 L B 0.0000
97 K B -3.2770
98 K B -4.2702
99 K B -3.9451
100 G B -3.2739
101 D B -3.6946
102 R B -3.9917
103 C B 0.0000
104 A B 0.0000
105 T B -1.5819
106 R B -2.0406
107 S B -1.1018
108 Q B -1.0219
109 F B -0.2304
110 V B 0.0000
111 Q B -1.2429
112 P B 0.0000
113 I B 0.0000
114 C B 0.0000
115 L B -0.3560
116 P B 0.0000
117 E B -2.3135
118 P B -1.9025
119 G B -1.4815
120 S B -1.0743
121 T B -0.5732
122 F B 0.0000
123 P B -0.4854
124 A B -0.6395
125 G B -0.7487
126 H B -0.9577
127 K B -0.8492
128 C B 0.0000
129 Q B 0.0000
130 I B 0.0000
131 A B 0.0000
132 G B 0.0000
133 W B 0.0000
134 G B 0.0000
135 H B 0.0000
136 L B -0.0839
137 D B -1.1403
138 E B -1.7548
139 N B -1.3429
140 V B 0.1302
141 S B -0.2597
142 G B -0.0485
143 Y B 0.3595
144 S B 0.0000
145 S B -0.4417
146 S B 0.0000
147 L B 0.0000
148 R B -0.4252
149 E B 0.0000
150 A B 0.0000
151 L B -0.0061
152 V B 0.0000
153 P B -0.3929
154 L B 0.0000
155 V B -0.7281
156 A B -1.3508
157 D B -2.2433
158 H B -2.1446
159 K B -2.1017
160 C B 0.0000
161 S B -1.7457
162 S B -1.7419
163 P B -1.6050
164 E B -2.2860
165 V B 0.0000
166 Y B 0.0000
167 G B -1.3376
168 A B -0.8456
169 D B -1.8024
170 I B -1.1602
171 S B -0.8726
172 P B -0.7161
173 N B -0.6277
174 M B 0.0000
175 L B 0.0000
176 C B 0.0000
177 A B 0.0000
178 G B 0.0000
179 Y B -0.6813
180 F B -0.8681
181 D B -1.8950
182 C B -1.3163
183 K B -2.0141
184 S B 0.0000
185 D B 0.0000
186 A B -0.3870
187 C B 0.0000
188 Q B -1.3477
189 G B 0.0000
190 D B 0.0000
191 S B -0.3154
192 G B 0.0000
193 G B 0.0000
194 P B 0.0000
195 L B 0.0000
196 A B 0.0000
197 C B 0.0000
198 E B -1.7511
199 K B -2.1888
200 N B -2.1587
201 G B -1.8617
202 V B -1.6669
203 A B 0.0000
204 Y B -0.4655
205 L B 0.0000
206 Y B 0.0000
207 G B 0.0000
208 I B 0.0000
209 I B 0.0000
210 S B 0.0000
211 W B -0.4217
212 G B -1.1128
213 D B -1.6328
214 G B -1.7168
215 C B -1.2993
216 G B -1.5536
217 R B -1.7983
218 L B -0.3261
219 H B -1.2217
220 K B -1.4213
221 P B 0.0000
222 G B 0.0000
223 V B 0.0000
224 Y B 0.0000
225 T B 0.0000
226 R B -0.6204
227 V B 0.0000
228 A B 0.0000
229 N B -1.4840
230 Y B 0.0000
231 V B 0.0000
232 D B -2.7808
233 W B -1.5902
234 I B 0.0000
235 N B -2.3795
236 D B -3.2191
237 R B -2.2063
238 I B -1.8452
239 R B -2.9873
240 P B -2.7496
241 P B -2.4298
242 R B -2.4518
243 R B -1.5126
244 L B 0.9159
245 V B 1.5896
246 A B 0.9252
247 P B 0.4255
248 S B -0.0262
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Laboratory of Theory of Biopolymers 2018