Aggrescan3D: 30-660

Project name: 30-660

Status: done

Started: 2025-02-07 21:45:43

Settings

Chain sequence(s)	A: ERNSGDLQLPQEIAMLVPNKTQVVPKSGGEGKVKDIFASPALVRAGGVMIAFVEGRTKNKLFPEVIDLSSSDIVAGYIKAPETWQSLVAEVTKEYWQAHTVLESANNSNHRVGVARLPTGITRGNKVFLLVGSYEERREIDDYIWKAEAWNIKVIEGEATQSTEVQPTQPINWSEPKPLFQTDSPNNKGDLKEFLGGGGSGIVMGNGTLVFPLTAKDESNKVFSLITYSTDDGQKWEIPGGVSSVACRSPRVTEWEEGTLLMVTYCEDGRKVFESRDMGKTWTEAFGTLPGVWLKSGPELPEVSLRVDALITATIEGRKVMLYTQKVRHFLEVDEPNALHLWVTDNNRTFHLGPFSVDCAENKTFANTLLYSDDALHLLQAKGDHESTAVSLARLTEELNTINSVLSTWVQLDASFSESSIPTAGLVGFLSNTTSSGDTWIDGYRCMNATVTKAAKVENGFKFTGPGSRATWPVNSRWDIKQYGFVDYNFTIVAMATIHQVPSESTPLLGASLRGNKRTKLIGLSYGAGGKWETVYDGTKTVQGGTWEPGREYQVALMLQDGNKGFVYVDGVLVGNPAMLPTPEERWTEFSHFYFGGDEGDSGSDATLTDVFLYNRPLSVGELKMIKEVED input PDB
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	Yes
Downloads	Download all the data

Simulation log

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[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 A 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                                          (00:08:47)
[INFO]       Auto_mut: Residue number 601 from chain A and a score of 2.105 (valine) selected for  
                       automated muatation                                                         (00:08:51)
[INFO]       Auto_mut: Residue number 173 from chain A and a score of 1.711 (isoleucine) selected  
                       for automated muatation                                                     (00:08:51)
[INFO]       Auto_mut: Residue number 649 from chain A and a score of 1.367 (valine) selected for  
                       automated muatation                                                         (00:08:51)
[INFO]       Auto_mut: Residue number 332 from chain A and a score of 1.322 (valine) selected for  
                       automated muatation                                                         (00:08:51)
[INFO]       Auto_mut: Residue number 602 from chain A and a score of 1.226 (leucine) selected for 
                       automated muatation                                                         (00:08:51)
[INFO]       Auto_mut: Residue number 172 from chain A and a score of 1.225 (tyrosine) selected    
                       for automated muatation                                                     (00:08:51)
[INFO]       Auto_mut: Mutating residue number 601 from chain A (valine) into glutamic acid        (00:08:51)
[INFO]       Auto_mut: Mutating residue number 601 from chain A (valine) into aspartic acid        (00:08:51)
[INFO]       Auto_mut: Mutating residue number 173 from chain A (isoleucine) into glutamic acid    (00:08:51)
[INFO]       Auto_mut: Mutating residue number 173 from chain A (isoleucine) into lysine           (00:12:31)
[INFO]       Auto_mut: Mutating residue number 601 from chain A (valine) into arginine             (00:12:39)
[INFO]       Auto_mut: Mutating residue number 601 from chain A (valine) into lysine               (00:12:47)
[INFO]       Auto_mut: Mutating residue number 173 from chain A (isoleucine) into aspartic acid    (00:16:24)
[INFO]       Auto_mut: Mutating residue number 649 from chain A (valine) into glutamic acid        (00:16:26)
[INFO]       Auto_mut: Mutating residue number 649 from chain A (valine) into aspartic acid        (00:16:34)
[INFO]       Auto_mut: Mutating residue number 173 from chain A (isoleucine) into arginine         (00:20:04)
[INFO]       Auto_mut: Mutating residue number 649 from chain A (valine) into lysine               (00:20:15)
[INFO]       Auto_mut: Mutating residue number 649 from chain A (valine) into arginine             (00:20:42)
[INFO]       Auto_mut: Mutating residue number 332 from chain A (valine) into glutamic acid        (00:24:01)
[INFO]       Auto_mut: Mutating residue number 332 from chain A (valine) into aspartic acid        (00:24:12)
[INFO]       Auto_mut: Mutating residue number 602 from chain A (leucine) into glutamic acid       (00:24:20)
[INFO]       Auto_mut: Mutating residue number 332 from chain A (valine) into lysine               (00:27:58)
[INFO]       Auto_mut: Mutating residue number 332 from chain A (valine) into arginine             (00:27:59)
[INFO]       Auto_mut: Mutating residue number 602 from chain A (leucine) into lysine              (00:28:08)
[INFO]       Auto_mut: Mutating residue number 602 from chain A (leucine) into aspartic acid       (00:31:46)
[INFO]       Auto_mut: Mutating residue number 172 from chain A (tyrosine) into glutamic acid      (00:32:00)
[INFO]       Auto_mut: Mutating residue number 172 from chain A (tyrosine) into aspartic acid      (00:32:08)
[INFO]       Auto_mut: Mutating residue number 602 from chain A (leucine) into arginine            (00:35:26)
[INFO]       Auto_mut: Mutating residue number 172 from chain A (tyrosine) into lysine             (00:35:45)
[INFO]       Auto_mut: Mutating residue number 172 from chain A (tyrosine) into arginine           (00:35:51)
[INFO]       Auto_mut: Effect of mutation residue number 601 from chain A (valine) into glutamic   
                       acid: Energy difference: -0.1771 kcal/mol, Difference in average score from 
                       the base case: -0.0128                                                      (00:39:39)
[INFO]       Auto_mut: Effect of mutation residue number 601 from chain A (valine) into lysine:    
                       Energy difference: -0.4341 kcal/mol, Difference in average score from the   
                       base case: -0.0108                                                          (00:39:39)
[INFO]       Auto_mut: Effect of mutation residue number 601 from chain A (valine) into aspartic   
                       acid: Energy difference: -0.0737 kcal/mol, Difference in average score from 
                       the base case: -0.0149                                                      (00:39:39)
[INFO]       Auto_mut: Effect of mutation residue number 601 from chain A (valine) into arginine:  
                       Energy difference: -0.4156 kcal/mol, Difference in average score from the   
                       base case: -0.0090                                                          (00:39:39)
[INFO]       Auto_mut: Effect of mutation residue number 173 from chain A (isoleucine) into        
                       glutamic acid: Energy difference: 0.6959 kcal/mol, Difference in average    
                       score from the base case: -0.0175                                           (00:39:39)
[INFO]       Auto_mut: Effect of mutation residue number 173 from chain A (isoleucine) into        
                       lysine: Energy difference: -0.3595 kcal/mol, Difference in average score    
                       from the base case: -0.0104                                                 (00:39:39)
[INFO]       Auto_mut: Effect of mutation residue number 173 from chain A (isoleucine) into        
                       aspartic acid: Energy difference: 0.8459 kcal/mol, Difference in average    
                       score from the base case: -0.0196                                           (00:39:39)
[INFO]       Auto_mut: Effect of mutation residue number 173 from chain A (isoleucine) into        
                       arginine: Energy difference: -0.4971 kcal/mol, Difference in average score  
                       from the base case: -0.0202                                                 (00:39:39)
[INFO]       Auto_mut: Effect of mutation residue number 649 from chain A (valine) into glutamic   
                       acid: Energy difference: -0.9257 kcal/mol, Difference in average score from 
                       the base case: -0.0189                                                      (00:39:39)
[INFO]       Auto_mut: Effect of mutation residue number 649 from chain A (valine) into lysine:    
                       Energy difference: -0.9497 kcal/mol, Difference in average score from the   
                       base case: -0.0183                                                          (00:39:39)
[INFO]       Auto_mut: Effect of mutation residue number 649 from chain A (valine) into aspartic   
                       acid: Energy difference: -0.8174 kcal/mol, Difference in average score from 
                       the base case: -0.0186                                                      (00:39:39)
[INFO]       Auto_mut: Effect of mutation residue number 649 from chain A (valine) into arginine:  
                       Energy difference: -1.0271 kcal/mol, Difference in average score from the   
                       base case: -0.0180                                                          (00:39:39)
[INFO]       Auto_mut: Effect of mutation residue number 332 from chain A (valine) into glutamic   
                       acid: Energy difference: -0.8850 kcal/mol, Difference in average score from 
                       the base case: -0.0138                                                      (00:39:39)
[INFO]       Auto_mut: Effect of mutation residue number 332 from chain A (valine) into lysine:    
                       Energy difference: -0.4365 kcal/mol, Difference in average score from the   
                       base case: -0.0135                                                          (00:39:39)
[INFO]       Auto_mut: Effect of mutation residue number 332 from chain A (valine) into aspartic   
                       acid: Energy difference: -0.8014 kcal/mol, Difference in average score from 
                       the base case: -0.0099                                                      (00:39:39)
[INFO]       Auto_mut: Effect of mutation residue number 332 from chain A (valine) into arginine:  
                       Energy difference: -0.3253 kcal/mol, Difference in average score from the   
                       base case: -0.0161                                                          (00:39:39)
[INFO]       Auto_mut: Effect of mutation residue number 602 from chain A (leucine) into glutamic  
                       acid: Energy difference: 1.9903 kcal/mol, Difference in average score from  
                       the base case: -0.0024                                                      (00:39:39)
[INFO]       Auto_mut: Effect of mutation residue number 602 from chain A (leucine) into lysine:   
                       Energy difference: 1.1321 kcal/mol, Difference in average score from the    
                       base case: -0.0065                                                          (00:39:39)
[INFO]       Auto_mut: Effect of mutation residue number 602 from chain A (leucine) into aspartic  
                       acid: Energy difference: 2.3657 kcal/mol, Difference in average score from  
                       the base case: -0.0084                                                      (00:39:39)
[INFO]       Auto_mut: Effect of mutation residue number 602 from chain A (leucine) into arginine: 
                       Energy difference: 0.4212 kcal/mol, Difference in average score from the    
                       base case: -0.0108                                                          (00:39:39)
[INFO]       Auto_mut: Effect of mutation residue number 172 from chain A (tyrosine) into glutamic 
                       acid: Energy difference: 0.1146 kcal/mol, Difference in average score from  
                       the base case: -0.0112                                                      (00:39:39)
[INFO]       Auto_mut: Effect of mutation residue number 172 from chain A (tyrosine) into lysine:  
                       Energy difference: 0.3374 kcal/mol, Difference in average score from the    
                       base case: -0.0175                                                          (00:39:39)
[INFO]       Auto_mut: Effect of mutation residue number 172 from chain A (tyrosine) into aspartic 
                       acid: Energy difference: 0.1848 kcal/mol, Difference in average score from  
                       the base case: -0.0116                                                      (00:39:39)
[INFO]       Auto_mut: Effect of mutation residue number 172 from chain A (tyrosine) into          
                       arginine: Energy difference: 0.0594 kcal/mol, Difference in average score   
                       from the base case: -0.0130                                                 (00:39:39)
[INFO]       Main:     Simulation completed successfully.                                          (00:39:50)

Note Your prediction results will be deleted after 360 days.

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Show buried residues

Minimal score value: -3.7555
Maximal score value: 2.105
Average score: -0.7292
Total score value: -460.1553

Download the table (csv)

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
30	E	A	-3.1411
31	R	A	-3.4836
32	N	A	-3.1374
33	S	A	-2.1483
34	G	A	-1.8581
35	D	A	-1.8029
36	L	A	0.0172
37	Q	A	-1.0920
38	L	A	-0.3723
39	P	A	-1.3134
40	Q	A	-1.9772
41	E	A	-1.8105
42	I	A	0.0000
43	A	A	-0.1384
44	M	A	0.0000
45	L	A	0.0000
46	V	A	-0.5609
47	P	A	-1.2942
48	N	A	-2.1769
49	K	A	-2.4667
50	T	A	0.0000
51	Q	A	-1.7964
52	V	A	0.0000
53	V	A	-1.4608
54	P	A	-1.8850
55	K	A	-1.8952
56	S	A	-1.4550
57	G	A	-1.4466
58	G	A	-1.9530
59	E	A	-2.6558
60	G	A	-2.0998
61	K	A	-2.5007
62	V	A	-1.3005
63	K	A	0.0000
64	D	A	-1.2196
65	I	A	0.0000
66	F	A	0.0000
67	A	A	-0.1645
68	S	A	-0.0029
69	P	A	0.0000
70	A	A	0.0000
71	L	A	0.0000
72	V	A	0.0000
73	R	A	-0.9663
74	A	A	0.0000
75	G	A	-1.5941
76	G	A	-1.1172
77	V	A	0.0000
78	M	A	0.0000
79	I	A	0.0000
80	A	A	0.0000
81	F	A	0.0000
82	V	A	0.0000
83	E	A	0.0000
84	G	A	0.0000
85	R	A	-0.6904
86	T	A	-0.9193
87	K	A	-1.1383
88	N	A	-1.3493
89	K	A	-1.4830
90	L	A	0.1550
91	F	A	-0.1412
92	P	A	-0.7485
93	E	A	-1.2627
94	V	A	0.0969
95	I	A	0.4149
96	D	A	-1.4366
97	L	A	0.0000
98	S	A	0.0000
99	S	A	-1.2766
100	S	A	0.0000
101	D	A	-0.9516
102	I	A	0.0000
103	V	A	0.0000
104	A	A	0.0000
105	G	A	0.0000
106	Y	A	0.0000
107	I	A	0.0000
108	K	A	-1.4164
109	A	A	-1.2126
110	P	A	-1.3567
111	E	A	-2.2930
112	T	A	-1.2483
113	W	A	-1.0078
114	Q	A	-1.3219
115	S	A	-1.1052
116	L	A	0.0000
117	V	A	-0.3389
118	A	A	-0.5085
119	E	A	-0.8760
120	V	A	0.0000
121	T	A	-0.6675
122	K	A	-1.3788
123	E	A	-1.6853
124	Y	A	-0.0679
125	W	A	-0.5479
126	Q	A	-0.9602
127	A	A	0.0000
128	H	A	0.0000
129	T	A	0.0000
130	V	A	0.0000
131	L	A	0.0000
132	E	A	-1.9568
133	S	A	-1.3567
134	A	A	-1.3711
135	N	A	-2.4259
136	N	A	-2.5970
137	S	A	-2.1667
138	N	A	-2.0533
139	H	A	-1.4720
140	R	A	-2.4488
141	V	A	0.0000
142	G	A	0.0000
143	V	A	0.0000
144	A	A	0.0000
145	R	A	-0.6756
146	L	A	-0.0584
147	P	A	0.0000
148	T	A	0.0000
149	G	A	0.0000
150	I	A	0.0000
151	T	A	-0.9648
152	R	A	-1.5005
153	G	A	-1.5999
154	N	A	-2.0327
155	K	A	-2.3169
156	V	A	0.0000
157	F	A	0.0000
158	L	A	0.0000
159	L	A	0.0000
160	V	A	0.0000
161	G	A	0.0000
162	S	A	-0.4421
163	Y	A	-0.5343
164	E	A	0.0000
165	E	A	-1.3709
166	R	A	-1.2668
167	R	A	0.0000
168	E	A	-0.0415
169	I	A	0.9865
170	D	A	-1.1639
171	D	A	-0.9715
172	Y	A	1.2249
173	I	A	1.7108
174	W	A	0.4919
175	K	A	-0.6640
176	A	A	-1.0519
177	E	A	-1.4450
178	A	A	-0.6006
179	W	A	-0.4528
180	N	A	-0.7433
181	I	A	0.0000
182	K	A	-1.0326
183	V	A	0.0000
184	I	A	0.0000
185	E	A	-2.0025
186	G	A	0.0000
187	E	A	-2.9252
188	A	A	0.0000
189	T	A	-1.6234
190	Q	A	-1.8144
191	S	A	-1.1739
192	T	A	-0.9955
193	E	A	-1.5579
194	V	A	0.2685
195	Q	A	-1.1337
196	P	A	-0.8823
197	T	A	-0.7014
198	Q	A	-0.8716
199	P	A	0.0000
200	I	A	0.0000
201	N	A	-2.0431
202	W	A	-1.6160
203	S	A	-1.9107
204	E	A	-2.4297
205	P	A	-1.9382
206	K	A	-2.5904
207	P	A	-1.4278
208	L	A	0.0000
209	F	A	-1.3426
210	Q	A	-2.2093
211	T	A	-1.5237
212	D	A	-2.5065
213	S	A	-2.1384
214	P	A	-2.1252
215	N	A	-3.0555
216	N	A	-3.3097
217	K	A	-3.1311
218	G	A	-2.8181
219	D	A	-3.3963
220	L	A	-2.3642
221	K	A	-1.9922
222	E	A	-1.0299
223	F	A	-0.1295
224	L	A	-0.0678
225	G	A	0.0000
226	G	A	0.0000
227	G	A	0.0000
228	G	A	0.0000
229	S	A	0.1444
230	G	A	0.0000
231	I	A	0.4479
232	V	A	0.3543
233	M	A	0.0000
234	G	A	-1.4974
235	N	A	-1.7139
236	G	A	-0.8328
237	T	A	0.0000
238	L	A	0.0000
239	V	A	0.0000
240	F	A	0.0000
241	P	A	0.0000
242	L	A	0.0000
243	T	A	-0.2988
244	A	A	0.0000
245	K	A	-1.9479
246	D	A	-2.7219
247	E	A	-3.4428
248	S	A	-2.3903
249	N	A	-2.9392
250	K	A	-1.9019
251	V	A	0.0000
252	F	A	-0.1073
253	S	A	0.0000
254	L	A	0.0000
255	I	A	0.0000
256	T	A	0.0000
257	Y	A	-0.4324
258	S	A	0.0000
259	T	A	-1.1556
260	D	A	-1.5299
261	D	A	-1.5774
262	G	A	0.0000
263	Q	A	-2.5342
264	K	A	-2.7486
265	W	A	-1.6377
266	E	A	-1.6329
267	I	A	-1.0604
268	P	A	0.0000
269	G	A	-1.5089
270	G	A	0.0000
271	V	A	0.5938
272	S	A	0.0000
273	S	A	-0.0079
274	V	A	0.3414
275	A	A	-0.9443
276	C	A	0.0000
277	R	A	-1.4807
278	S	A	-0.6839
279	P	A	0.0000
280	R	A	0.0000
281	V	A	0.0000
282	T	A	0.0000
283	E	A	-0.8731
284	W	A	-1.3133
285	E	A	-2.7066
286	E	A	-3.1432
287	G	A	-2.3335
288	T	A	0.0000
289	L	A	0.0000
290	L	A	0.0000
291	M	A	0.0000
292	V	A	0.0000
293	T	A	0.0000
294	Y	A	-0.8032
295	C	A	0.0000
296	E	A	-2.6057
297	D	A	-2.8364
298	G	A	0.0000
299	R	A	0.0000
300	K	A	-0.7544
301	V	A	0.0000
302	F	A	0.0000
303	E	A	-0.9263
304	S	A	0.0000
305	R	A	-2.8359
306	D	A	-1.9838
307	M	A	-1.1685
308	G	A	0.0000
309	K	A	-2.1362
310	T	A	-1.2618
311	W	A	-0.9476
312	T	A	-0.8982
313	E	A	-1.3397
314	A	A	-0.3319
315	F	A	0.5101
316	G	A	0.0695
317	T	A	-0.0484
318	L	A	0.0000
319	P	A	0.0000
320	G	A	0.0000
321	V	A	0.0000
322	W	A	0.1123
323	L	A	-0.5913
324	K	A	-1.4380
325	S	A	-1.8243
326	G	A	-1.1124
327	P	A	-1.3992
328	E	A	-1.9000
329	L	A	-0.6392
330	P	A	-0.7427
331	E	A	0.1145
332	V	A	1.3223
333	S	A	0.5613
334	L	A	0.2810
335	R	A	-0.0949
336	V	A	0.0000
337	D	A	0.0000
338	A	A	0.0000
339	L	A	0.0000
340	I	A	0.2913
341	T	A	-0.0244
342	A	A	0.0000
343	T	A	-1.2105
344	I	A	0.0000
345	E	A	-2.2196
346	G	A	-1.5624
347	R	A	-1.3196
348	K	A	-1.4516
349	V	A	0.0000
350	M	A	0.0000
351	L	A	0.0000
352	Y	A	0.0000
353	T	A	0.0000
354	Q	A	0.0000
355	K	A	0.0000
356	V	A	0.0000
357	R	A	-0.6245
358	H	A	-0.1560
359	F	A	1.0043
360	L	A	1.1300
361	E	A	-0.7612
362	V	A	0.4130
363	D	A	-1.6301
364	E	A	-1.2588
365	P	A	-0.7594
366	N	A	-0.4939
367	A	A	0.0000
368	L	A	0.0000
369	H	A	0.0000
370	L	A	0.0000
371	W	A	0.0000
372	V	A	0.0000
373	T	A	0.0000
374	D	A	0.0000
375	N	A	-0.4133
376	N	A	-0.4578
377	R	A	0.0000
378	T	A	0.0000
379	F	A	0.0000
380	H	A	-0.3629
381	L	A	-0.2034
382	G	A	-0.2215
383	P	A	0.0882
384	F	A	0.0000
385	S	A	0.0000
386	V	A	0.6657
387	D	A	0.0000
388	C	A	-0.5702
389	A	A	-1.0977
390	E	A	-2.5546
391	N	A	-2.0387
392	K	A	-1.3427
393	T	A	0.0000
394	F	A	-0.0924
395	A	A	0.0682
396	N	A	0.0000
397	T	A	0.0000
398	L	A	0.0000
399	L	A	0.0173
400	Y	A	-0.5105
401	S	A	-1.3906
402	D	A	-2.8387
403	D	A	-2.5982
404	A	A	-1.4080
405	L	A	0.0000
406	H	A	0.0000
407	L	A	0.0000
408	L	A	0.0000
409	Q	A	0.0000
410	A	A	0.0000
411	K	A	-0.9343
412	G	A	0.0000
413	D	A	-2.5653
414	H	A	-2.5329
415	E	A	-2.5850
416	S	A	-2.0409
417	T	A	0.0000
418	A	A	-0.4391
419	V	A	0.0000
420	S	A	0.0000
421	L	A	0.0000
422	A	A	0.0000
423	R	A	-1.1264
424	L	A	0.0000
425	T	A	-1.7193
426	E	A	-2.4883
427	E	A	-1.6579
428	L	A	-1.5589
429	N	A	-2.1537
430	T	A	-1.3354
431	I	A	0.0000
432	N	A	-1.6901
433	S	A	-0.9655
434	V	A	0.0000
435	L	A	0.0000
436	S	A	-0.7656
437	T	A	-0.5215
438	W	A	0.0000
439	V	A	0.0883
440	Q	A	-0.7280
441	L	A	-0.4309
442	D	A	-0.4797
443	A	A	-0.7879
444	S	A	-1.0026
445	F	A	0.0000
446	S	A	-1.3607
447	E	A	-2.0573
448	S	A	-1.2289
449	S	A	-0.9358
450	I	A	0.0000
451	P	A	-0.3443
452	T	A	-0.1591
453	A	A	-0.1520
454	G	A	-0.3194
455	L	A	0.0000
456	V	A	0.0000
457	G	A	0.0000
458	F	A	0.0000
459	L	A	0.0000
460	S	A	-1.2545
461	N	A	-1.9531
462	T	A	-1.6639
463	T	A	-0.9701
464	S	A	-0.8093
465	S	A	-1.2887
466	G	A	-1.7015
467	D	A	-2.3825
468	T	A	-1.3971
469	W	A	0.0000
470	I	A	-0.9889
471	D	A	0.0000
472	G	A	-0.9235
473	Y	A	0.0000
474	R	A	-1.9127
475	C	A	-1.0553
476	M	A	0.0000
477	N	A	-1.1562
478	A	A	0.0000
479	T	A	-0.7679
480	V	A	0.0000
481	T	A	-1.4752
482	K	A	-2.3719
483	A	A	-1.6795
484	A	A	-1.2984
485	K	A	-2.4915
486	V	A	-1.6442
487	E	A	-2.6421
488	N	A	-2.2762
489	G	A	0.0000
490	F	A	0.0000
491	K	A	-1.2076
492	F	A	0.0000
493	T	A	-0.8222
494	G	A	-0.7555
495	P	A	-1.2471
496	G	A	-1.5555
497	S	A	0.0000
498	R	A	-1.2153
499	A	A	0.0000
500	T	A	-0.3009
501	W	A	0.0000
502	P	A	-0.4217
503	V	A	0.0000
504	N	A	0.0000
505	S	A	-0.7734
506	R	A	-0.8272
507	W	A	0.2460
508	D	A	-0.3281
509	I	A	-0.3988
510	K	A	-0.6389
511	Q	A	-0.4428
512	Y	A	0.0000
513	G	A	-0.0292
514	F	A	0.0000
515	V	A	0.0000
516	D	A	0.0000
517	Y	A	-0.7622
518	N	A	-1.1964
519	F	A	0.0000
520	T	A	0.0000
521	I	A	0.0000
522	V	A	0.0000
523	A	A	0.0000
524	M	A	0.0000
525	A	A	0.0000
526	T	A	-1.5403
527	I	A	0.0000
528	H	A	-1.5328
529	Q	A	-1.0039
530	V	A	0.3794
531	P	A	-0.3725
532	S	A	-0.8964
533	E	A	-1.8235
534	S	A	-0.9147
535	T	A	0.0000
536	P	A	0.0000
537	L	A	0.0000
538	L	A	0.0000
539	G	A	0.0000
540	A	A	0.0000
541	S	A	0.0000
542	L	A	-1.6903
543	R	A	-2.6878
544	G	A	-2.7509
545	N	A	-3.0328
546	K	A	-3.7555
547	R	A	-3.6902
548	T	A	-2.5545
549	K	A	-1.8252
550	L	A	0.0000
551	I	A	0.0000
552	G	A	0.0000
553	L	A	0.0000
554	S	A	0.0000
555	Y	A	0.0000
556	G	A	0.0000
557	A	A	-0.5802
558	G	A	-0.4868
559	G	A	-0.7553
560	K	A	-0.9434
561	W	A	0.0000
562	E	A	0.0000
563	T	A	0.0000
564	V	A	0.0000
565	Y	A	-0.8674
566	D	A	-2.0976
567	G	A	-1.9198
568	T	A	-1.3342
569	K	A	-0.8810
570	T	A	0.2287
571	V	A	1.0416
572	Q	A	-0.2407
573	G	A	-0.7180
574	G	A	-0.5172
575	T	A	-1.1566
576	W	A	0.0000
577	E	A	-2.5359
578	P	A	-1.8594
579	G	A	-2.1076
580	R	A	-2.4905
581	E	A	-2.3723
582	Y	A	0.0000
583	Q	A	0.0000
584	V	A	0.0000
585	A	A	0.0000
586	L	A	0.0000
587	M	A	0.0000
588	L	A	0.0000
589	Q	A	-1.6434
590	D	A	-2.3340
591	G	A	0.0000
592	N	A	-0.8876
593	K	A	-0.9787
594	G	A	0.0000
595	F	A	-0.0381
596	V	A	0.0000
597	Y	A	1.0941
598	V	A	0.0000
599	D	A	0.2701
600	G	A	0.0000
601	V	A	2.1050
602	L	A	1.2264
603	V	A	0.0000
604	G	A	-0.4406
605	N	A	-1.2388
606	P	A	-0.4695
607	A	A	-0.2336
608	M	A	0.3894
609	L	A	0.0000
610	P	A	-1.0637
611	T	A	-1.4302
612	P	A	0.0000
613	E	A	-2.4027
614	E	A	-2.4597
615	R	A	-1.0857
616	W	A	-0.3306
617	T	A	-0.7772
618	E	A	-0.7109
619	F	A	0.0000
620	S	A	0.0000
621	H	A	-0.5043
622	F	A	0.0000
623	Y	A	0.0000
624	F	A	0.0000
625	G	A	0.0000
626	G	A	0.0000
627	D	A	-1.5208
628	E	A	-2.7890
629	G	A	-1.7283
630	D	A	-1.6561
631	S	A	-1.2398
632	G	A	-0.9486
633	S	A	0.0000
634	D	A	-0.6416
635	A	A	0.0000
636	T	A	-0.9063
637	L	A	0.0000
638	T	A	-0.8848
639	D	A	0.0000
640	V	A	0.0000
641	F	A	0.0000
642	L	A	0.0000
643	Y	A	0.0000
644	N	A	-0.6736
645	R	A	-1.0172
646	P	A	-0.6181
647	L	A	0.0000
648	S	A	0.2019
649	V	A	1.3673
650	G	A	-0.0802
651	E	A	-0.4217
652	L	A	0.0000
653	K	A	-0.8123
654	M	A	-0.8563
655	I	A	0.0000
656	K	A	-1.9124
657	E	A	-2.5863
658	V	A	-1.2869
659	E	A	-1.8159
660	D	A	-2.7109

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Automated mutations analysis

In the automated mutations mode, the server selects aggregation prone resides and each selected residue is mutated to glutamic acid, lysine, aspartic acid and arginine. The table below shows 2 best scored mutants for each mutated residue. Protein variants are ordered according to the mutation effect they had on protein stability (energetic effect) together with the difference in the average per-residue aggregation score between the wild type and the mutant (in the table green values indicate a positive change, grey are neutral, and orange/red mean destabilizing or more aggregation prone mutants).
Summary for all the mutants can be found in this CSV file.

Mutant	Energetic effect	Score comparison
VR649A	-1.0271	-0.018	View	CSV	PDB
VE649A	-0.9257	-0.0189	View	CSV	PDB
IR173A	-0.4971	-0.0202	View	CSV	PDB
VE332A	-0.885	-0.0138	View	CSV	PDB
VR332A	-0.3253	-0.0161	View	CSV	PDB
VK601A	-0.4341	-0.0108	View	CSV	PDB
IK173A	-0.3595	-0.0104	View	CSV	PDB
VE601A	-0.1771	-0.0128	View	CSV	PDB
YR172A	0.0594	-0.013	View	CSV	PDB
YE172A	0.1146	-0.0112	View	CSV	PDB
LR602A	0.4212	-0.0108	View	CSV	PDB
LK602A	1.1321	-0.0065	View	CSV	PDB

Project name: 30-660

Status: done

Started: 2025-02-07 21:45:43

Automated mutations analysis

Mutant

Energetic effect

Score comparison