Project name: PLGL

Status: done

Started: 2026-06-13 16:28:01
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
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                                          (00:06:07)
[INFO]       Main:     Simulation completed successfully.                                          (00:06:12)
Show buried residues

Minimal score value
-4.4866
Maximal score value
3.4098
Average score
-0.6742
Total score value
-418.0286

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 -1.9220
63 A A -1.1446
64 Q A -1.5849
65 A A -0.8759
66 L A -0.8780
67 T A 0.0000
68 E A -2.6498
69 D A -2.8590
70 G A -1.9782
71 R A -1.9849
72 P A -1.2452
73 C A 0.0000
74 R A -0.9269
75 F A -0.3147
76 P A -0.2056
77 F A 0.0000
78 R A 0.0000
79 Y A -0.4175
80 G A -0.2621
81 G A -0.0903
82 R A -0.5435
83 M A 0.0000
84 L A 0.0000
85 H A -0.6313
86 A A -0.6883
87 C A -0.6977
88 T A 0.0000
89 S A -1.5462
90 E A -1.1471
91 G A -0.9865
92 S A -1.1948
93 A A -1.1240
94 H A -1.9439
95 R A -2.4353
96 K A -1.9583
97 W A 0.0000
98 C A 0.0000
99 A A 0.0000
100 T A -0.6324
101 T A -0.9730
102 H A -0.9366
103 N A 0.0000
104 Y A -1.1894
105 D A -1.3103
106 R A -1.9827
107 D A -2.0852
108 R A -2.3285
109 A A -1.0864
110 W A -0.2571
111 G A -0.7259
112 Y A -1.0319
113 C A 0.0000
114 V A -0.7117
115 E A -1.7503
116 A A -0.5923
117 T A -0.6377
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 -0.1083
125 A A -0.0865
126 L A 0.6599
127 D A -1.0825
128 P A -0.8912
129 C A -0.7077
130 A A -0.2776
131 S A -0.3803
132 G A -0.5332
133 P A -0.2668
134 C A -0.4095
135 L A 0.0658
136 N A -1.0809
137 G A -0.6887
138 G A -0.8230
139 S A -0.4472
140 C A -0.3962
141 S A -1.2440
142 N A -2.0680
143 T A -1.5399
144 Q A -1.6505
145 D A -1.6182
146 P A -1.5959
147 Q A -1.7623
148 S A -1.4838
149 Y A -1.3312
150 H A -0.9457
151 C A 0.0000
152 S A -0.5830
153 C A -0.9151
154 P A -1.1444
155 R A -1.7438
156 A A -1.2832
157 F A -1.6722
158 T A -1.6232
159 G A -1.5134
160 K A -1.8558
161 D A -1.2362
162 C A 0.0000
163 G A -1.2544
164 T A -1.7946
165 E A -2.6397
166 K A -1.8814
167 C A 0.0000
168 F A -0.3827
169 D A 0.0000
170 E A -1.7053
171 T A -1.2056
172 R A -0.8075
173 Y A -0.4919
174 E A 0.0000
175 Y A -0.4767
176 L A 0.0000
177 E A -2.1191
178 G A -1.7620
179 G A -1.2810
180 D A -2.2219
181 R A -2.5690
182 W A 0.0000
183 A A 0.0000
184 R A 0.0000
185 V A -1.2818
186 R A -2.1542
187 Q A -2.1263
188 G A -1.7649
189 H A -2.4762
190 V A 0.0000
191 E A -1.7965
192 Q A -1.7373
193 C A 0.0000
194 E A -1.8546
195 C A 0.0000
196 F A 0.0728
197 G A -0.9350
198 G A -1.4613
199 R A -1.7036
200 T A -0.6020
201 W A -0.1137
202 C A -1.0956
203 E A -2.1390
204 G A -2.1236
205 T A -1.6971
206 R A -1.8481
207 H A -1.0454
208 T A -0.0358
209 A A 0.4959
210 C A 0.6538
211 L A 1.4752
212 S A 0.4691
213 S A 0.0727
214 P A -0.0432
215 C A -0.3062
216 L A -0.0727
217 N A -1.0609
218 G A -0.8292
219 G A -0.5100
220 T A -0.2381
221 C A 0.0000
222 H A -0.0033
223 L A 0.3538
224 I A 0.0000
225 V A 0.9681
226 A A 0.3245
227 T A -0.0036
228 G A 0.0520
229 T A 0.0225
230 T A -0.0934
231 V A 0.0000
232 C A 0.0000
233 A A -0.6078
234 C A -0.3161
235 P A -0.3430
236 P A -0.3328
237 G A -0.9464
238 F A -0.4796
239 A A 0.0000
240 G A 0.0000
241 R A -0.8252
242 L A -0.0738
243 C A 0.0000
244 N A 0.0000
245 I A 0.0000
246 E A -1.3792
247 P A -1.6719
248 D A -2.6412
249 E A -2.2676
250 R A -2.7763
251 C A -1.7170
252 F A 0.0000
253 L A 0.4955
254 G A -0.6341
255 N A -1.5103
256 G A 0.0000
257 T A -1.0501
258 G A -0.2276
259 Y A 0.0000
260 R A -0.8546
261 G A 0.0000
262 V A -0.4543
263 A A -0.5547
264 S A 0.0000
265 T A -0.5293
266 S A 0.0000
267 A A -0.8350
268 S A -0.6483
269 G A -0.6335
270 L A -0.1766
271 S A -0.3605
272 C A 0.0000
273 L A -0.0733
274 A A -0.2811
275 W A 0.0000
276 N A -1.2457
277 S A -0.7535
278 D A -1.2655
279 L A -0.5220
280 L A 0.0000
281 Y A -0.4571
282 Q A 0.0892
283 E A 0.0000
284 L A -0.1878
285 H A -0.9221
286 V A -0.8594
287 D A -1.8781
288 S A -0.5599
289 V A -0.2204
290 G A -0.3837
291 A A 0.2806
292 A A 0.3186
293 A A 0.9115
294 L A 1.7419
295 L A 0.7932
296 G A 0.0000
297 L A 0.0000
298 G A -0.3008
299 P A -0.4250
300 H A 0.0000
301 A A -0.2358
302 Y A 0.0000
303 C A 0.0000
304 R A 0.0000
305 N A 0.0000
306 P A -0.6263
307 D A -1.9330
308 N A -2.4397
309 D A -2.3019
310 E A -2.8817
311 R A -2.2821
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 -0.2864
318 K A -1.4179
319 D A -2.1381
320 S A -1.1989
321 A A 0.0000
322 L A 0.0000
323 S A 0.0000
324 W A 0.0000
325 E A -0.5025
326 Y A -0.8443
327 C A 0.0000
328 R A -2.1699
329 L A -1.9793
330 E A -2.5568
331 A A -1.4420
332 C A -1.2319
333 E A -1.7841
334 S A -1.1978
335 L A -0.6138
336 T A -0.6528
337 R A -0.4246
338 V A 0.7629
339 Q A -0.3526
340 L A 0.1979
341 S A -0.2817
342 P A -0.5774
343 D A -1.2102
344 L A 0.5904
345 L A 0.5325
346 A A 0.0006
347 T A 0.2825
348 L A 0.8432
349 P A -0.5954
350 E A -1.7223
351 P A -1.0880
352 A A -1.1239
353 S A -1.2600
354 P A -1.3703
355 G A -1.8758
356 R A -3.0065
357 Q A -2.5331
358 A A -1.7080
359 C A -1.0375
360 G A 0.0000
361 R A -2.5582
362 R A 0.0000
363 H A -1.0639
364 K A -0.7306
365 K A 0.0000
366 R A 0.2053
367 T A 1.0854
368 F A 2.6680
369 L A 2.6311
370 P A 1.6927
371 L A 1.9229
372 G A 0.4834
1 L B 0.0000
2 I B -0.6089
3 G B -0.8962
4 G B -0.5099
5 S B -0.3572
6 S B 0.0000
7 S B 0.0000
8 L B 0.0000
9 P B -0.1969
10 G B -0.1945
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 -0.5667
20 I B 0.0000
21 G B -1.8079
22 D B -2.0320
23 S B -1.0491
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 0.0973
31 H B -0.4197
32 T B -1.0725
33 C B -1.2784
34 W B -0.1889
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 -0.3891
41 C B 0.0000
42 F B 0.0000
43 S B -0.0980
44 H B -0.9792
45 S B -0.8826
46 P B 0.0000
47 P B -2.0777
48 R B -3.3712
49 D B -3.1572
50 S B -2.0254
51 V B 0.0000
52 S B -0.7943
53 V B 0.0000
54 V B 0.0000
55 L B 0.0000
56 G B -0.3578
57 Q B 0.0000
58 H B -0.4189
59 F B 0.0000
60 F B -0.7051
61 N B -1.6858
62 R B -1.7930
63 T B -1.2464
64 T B -1.3937
65 D B -1.5656
66 V B -0.3485
67 T B -0.5013
68 Q B -0.3208
69 T B -0.3429
70 F B 0.0000
71 G B -2.1519
72 I B 0.0000
73 E B -2.7330
74 K B -2.1252
75 Y B -0.6188
76 I B 0.1978
77 P B 0.3608
78 Y B 0.6791
79 T B 0.8347
80 L B 1.6678
81 Y B 1.0274
82 S B 1.1854
83 V B 1.8966
84 F B 1.9651
85 N B -0.0940
86 P B 0.1144
87 S B -0.5570
88 D B -0.5967
89 H B -0.3594
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 -1.2831
96 L B 0.0000
97 K B -3.3338
98 K B -4.4866
99 K B -4.0655
100 G B -3.3492
101 D B -3.7552
102 R B -4.0596
103 C B 0.0000
104 A B 0.0000
105 T B -1.5726
106 R B -2.0400
107 S B -1.1051
108 Q B -1.0400
109 F B -0.2374
110 V B 0.0000
111 Q B -1.2294
112 P B 0.0000
113 I B 0.0000
114 C B 0.0000
115 L B -0.3525
116 P B 0.0000
117 E B -2.3164
118 P B -1.9119
119 G B -1.4922
120 S B -1.0785
121 T B -0.5727
122 F B 0.0000
123 P B -0.4792
124 A B -0.6310
125 G B -0.7348
126 H B -0.9284
127 K B -0.7946
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 -0.0753
137 D B -1.1307
138 E B -1.7507
139 N B -1.3425
140 V B 0.1284
141 S B -0.2596
142 G B -0.0458
143 Y B 0.3667
144 S B 0.0000
145 S B -0.4452
146 S B 0.0000
147 L B 0.0000
148 R B -0.4240
149 E B 0.0000
150 A B 0.0000
151 L B 0.0191
152 V B 0.0000
153 P B -0.3682
154 L B 0.0000
155 V B -0.7168
156 A B -1.3412
157 D B -2.2306
158 H B -2.1328
159 K B -2.0815
160 C B 0.0000
161 S B -1.7404
162 S B -1.7338
163 P B -1.6022
164 E B -2.2922
165 V B 0.0000
166 Y B 0.0000
167 G B -1.3372
168 A B -0.8479
169 D B -1.8037
170 I B -1.1682
171 S B -0.8841
172 P B -0.7356
173 N B -0.6659
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 -0.6929
180 F B -0.8951
181 D B -1.9163
182 C B -1.3291
183 K B -2.0148
184 S B 0.0000
185 D B 0.0000
186 A B -0.3846
187 C B 0.0000
188 Q B -1.3451
189 G B 0.0000
190 D B 0.0000
191 S B -0.3159
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 -1.7254
199 K B -2.1649
200 N B -2.1499
201 G B -1.8577
202 V B -1.6549
203 A B 0.0000
204 Y B -0.4486
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 -0.4247
212 G B -1.1165
213 D B -1.6441
214 G B -1.7174
215 C B -1.2971
216 G B -1.5605
217 R B -1.8136
218 L B -0.3537
219 H B -1.2749
220 K B -1.4481
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 -0.6417
227 V B 0.0000
228 A B 0.0000
229 N B -1.5303
230 Y B 0.0000
231 V B 0.0000
232 D B -2.7901
233 W B -1.5983
234 I B 0.0000
235 N B -2.3875
236 D B -3.2285
237 R B -2.2042
238 I B -1.8136
239 R B -2.9935
240 P B -2.7545
241 P B -2.4317
242 R B -2.4511
243 R B -1.5122
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