Aggrescan3D: 123456

Project name: 123456

Status: done

Started: 2024-07-08 05:38:25

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Chain sequence(s)	A: MAMFMVKNGNGTACIMANFSAAFSVNYDTKSGPKNMTFDLPSDATVVLNRSSCGKENTSDPSLVIAFGRGHTLTLNFTRNATRYSVQLMSFVYNLSDTHLFPNASSKEIKTVESITDIRADIDKKYRCVSGTQVHMNNVTVTLHDATIQAYLSNSSFSRGETRCEQDRPSPTTAPPAPPSPSPSPVPKSPSVDKYNVSGTNGTCLLASMGLQLNLTYERKDNTTVTRLLNINPNKTSASGSCGAHLVTLELHSEGTTVLLFQFGMNASSSRFFLQGIQLNTILPDARDPAFKAANGSLRALQATVGNSYKCNAEEHVRVTKAFGGGGSLEVLFQGPEPKSCDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK 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                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:04:19)
[INFO]       Auto_mut: Residue number 374 from chain A and a score of 1.398 (isoleucine) selected  
                       for automated muatation                                                     (00:04:23)
[INFO]       Auto_mut: Residue number 323 from chain A and a score of 1.329 (phenylalanine)        
                       selected for automated muatation                                            (00:04:23)
[INFO]       Auto_mut: Residue number 356 from chain A and a score of 1.310 (leucine) selected for 
                       automated muatation                                                         (00:04:23)
[INFO]       Auto_mut: Residue number 518 from chain A and a score of 1.109 (valine) selected for  
                       automated muatation                                                         (00:04:23)
[INFO]       Auto_mut: Residue number 519 from chain A and a score of 1.077 (leucine) selected for 
                       automated muatation                                                         (00:04:23)
[INFO]       Auto_mut: Residue number 364 from chain A and a score of 1.060 (phenylalanine)        
                       selected for automated muatation                                            (00:04:23)
[INFO]       Auto_mut: Mutating residue number 374 from chain A (isoleucine) into glutamic acid    (00:04:24)
[INFO]       Auto_mut: Mutating residue number 374 from chain A (isoleucine) into aspartic acid    (00:04:24)
[INFO]       Auto_mut: Mutating residue number 323 from chain A (phenylalanine) into glutamic acid 
                       Mutating residue number 323 from chain A (phenylalanine) into glutamic acid (00:04:24)
[INFO]       Auto_mut: Mutating residue number 374 from chain A (isoleucine) into arginine         (00:06:56)
[INFO]       Auto_mut: Mutating residue number 374 from chain A (isoleucine) into lysine           (00:06:58)
[INFO]       Auto_mut: Mutating residue number 323 from chain A (phenylalanine) into lysine        (00:07:06)
[INFO]       Auto_mut: Mutating residue number 323 from chain A (phenylalanine) into aspartic acid 
                       Mutating residue number 323 from chain A (phenylalanine) into aspartic acid (00:09:32)
[INFO]       Auto_mut: Mutating residue number 356 from chain A (leucine) into glutamic acid       (00:09:44)
[INFO]       Auto_mut: Mutating residue number 356 from chain A (leucine) into aspartic acid       (00:09:46)
[INFO]       Auto_mut: Mutating residue number 323 from chain A (phenylalanine) into arginine      (00:12:12)
[INFO]       Auto_mut: Mutating residue number 356 from chain A (leucine) into arginine            (00:12:18)
[INFO]       Auto_mut: Mutating residue number 356 from chain A (leucine) into lysine              (00:12:18)
[INFO]       Auto_mut: Mutating residue number 518 from chain A (valine) into glutamic acid        (00:14:51)
[INFO]       Auto_mut: Mutating residue number 518 from chain A (valine) into aspartic acid        (00:14:54)
[INFO]       Auto_mut: Mutating residue number 519 from chain A (leucine) into glutamic acid       (00:15:03)
[INFO]       Auto_mut: Mutating residue number 518 from chain A (valine) into lysine               (00:17:24)
[INFO]       Auto_mut: Mutating residue number 518 from chain A (valine) into arginine             (00:17:28)
[INFO]       Auto_mut: Mutating residue number 519 from chain A (leucine) into lysine              (00:17:34)
[INFO]       Auto_mut: Mutating residue number 519 from chain A (leucine) into aspartic acid       (00:20:05)
[INFO]       Auto_mut: Mutating residue number 364 from chain A (phenylalanine) into glutamic acid 
                       Mutating residue number 364 from chain A (phenylalanine) into glutamic acid (00:20:10)
[INFO]       Auto_mut: Mutating residue number 364 from chain A (phenylalanine) into aspartic acid 
                       Mutating residue number 364 from chain A (phenylalanine) into aspartic acid (00:20:19)
[INFO]       Auto_mut: Mutating residue number 519 from chain A (leucine) into arginine            (00:22:36)
[INFO]       Auto_mut: Mutating residue number 364 from chain A (phenylalanine) into lysine        (00:22:44)
[INFO]       Auto_mut: Mutating residue number 364 from chain A (phenylalanine) into arginine      (00:22:58)
[INFO]       Auto_mut: Effect of mutation residue number 374 from chain A (isoleucine) into        
                       glutamic acid: Energy difference: -0.4938 kcal/mol, Difference in average   
                       score from the base case: -0.0269                                           (00:25:46)
[INFO]       Auto_mut: Effect of mutation residue number 374 from chain A (isoleucine) into        
                       lysine: Energy difference: -0.0570 kcal/mol, Difference in average score    
                       from the base case: -0.0276                                                 (00:25:46)
[INFO]       Auto_mut: Effect of mutation residue number 374 from chain A (isoleucine) into        
                       aspartic acid: Energy difference: -0.2438 kcal/mol, Difference in average   
                       score from the base case: -0.0273                                           (00:25:46)
[INFO]       Auto_mut: Effect of mutation residue number 374 from chain A (isoleucine) into        
                       arginine: Energy difference: -0.0300 kcal/mol, Difference in average score  
                       from the base case: -0.0297                                                 (00:25:46)
[INFO]       Auto_mut: Effect of mutation residue number 323 from chain A (phenylalanine) into     
                       glutamic acid: Energy difference: 0.6908 kcal/mol, Difference in average    
                       score from the base case: -0.0236                                           (00:25:46)
[INFO]       Auto_mut: Effect of mutation residue number 323 from chain A (phenylalanine) into     
                       lysine: Energy difference: -0.2556 kcal/mol, Difference in average score    
                       from the base case: -0.0267                                                 (00:25:46)
[INFO]       Auto_mut: Effect of mutation residue number 323 from chain A (phenylalanine) into     
                       aspartic acid: Energy difference: 0.2197 kcal/mol, Difference in average    
                       score from the base case: -0.0273                                           (00:25:46)
[INFO]       Auto_mut: Effect of mutation residue number 323 from chain A (phenylalanine) into     
                       arginine: Energy difference: -0.3084 kcal/mol, Difference in average score  
                       from the base case: -0.0272                                                 (00:25:46)
[INFO]       Auto_mut: Effect of mutation residue number 356 from chain A (leucine) into glutamic  
                       acid: Energy difference: -0.4550 kcal/mol, Difference in average score from 
                       the base case: -0.0192                                                      (00:25:46)
[INFO]       Auto_mut: Effect of mutation residue number 356 from chain A (leucine) into lysine:   
                       Energy difference: -1.9636 kcal/mol, Difference in average score from the   
                       base case: -0.0199                                                          (00:25:46)
[INFO]       Auto_mut: Effect of mutation residue number 356 from chain A (leucine) into aspartic  
                       acid: Energy difference: -1.5995 kcal/mol, Difference in average score from 
                       the base case: -0.0197                                                      (00:25:46)
[INFO]       Auto_mut: Effect of mutation residue number 356 from chain A (leucine) into arginine: 
                       Energy difference: -0.4984 kcal/mol, Difference in average score from the   
                       base case: -0.0200                                                          (00:25:46)
[INFO]       Auto_mut: Effect of mutation residue number 518 from chain A (valine) into glutamic   
                       acid: Energy difference: 0.1814 kcal/mol, Difference in average score from  
                       the base case: -0.0125                                                      (00:25:46)
[INFO]       Auto_mut: Effect of mutation residue number 518 from chain A (valine) into lysine:    
                       Energy difference: -0.6700 kcal/mol, Difference in average score from the   
                       base case: -0.0103                                                          (00:25:46)
[INFO]       Auto_mut: Effect of mutation residue number 518 from chain A (valine) into aspartic   
                       acid: Energy difference: 1.2688 kcal/mol, Difference in average score from  
                       the base case: -0.0123                                                      (00:25:46)
[INFO]       Auto_mut: Effect of mutation residue number 518 from chain A (valine) into arginine:  
                       Energy difference: -0.3591 kcal/mol, Difference in average score from the   
                       base case: -0.0124                                                          (00:25:46)
[INFO]       Auto_mut: Effect of mutation residue number 519 from chain A (leucine) into glutamic  
                       acid: Energy difference: 0.7677 kcal/mol, Difference in average score from  
                       the base case: -0.0297                                                      (00:25:46)
[INFO]       Auto_mut: Effect of mutation residue number 519 from chain A (leucine) into lysine:   
                       Energy difference: 0.3282 kcal/mol, Difference in average score from the    
                       base case: -0.0289                                                          (00:25:46)
[INFO]       Auto_mut: Effect of mutation residue number 519 from chain A (leucine) into aspartic  
                       acid: Energy difference: 1.6023 kcal/mol, Difference in average score from  
                       the base case: -0.0296                                                      (00:25:46)
[INFO]       Auto_mut: Effect of mutation residue number 519 from chain A (leucine) into arginine: 
                       Energy difference: 0.1901 kcal/mol, Difference in average score from the    
                       base case: -0.0289                                                          (00:25:46)
[INFO]       Auto_mut: Effect of mutation residue number 364 from chain A (phenylalanine) into     
                       glutamic acid: Energy difference: 1.3114 kcal/mol, Difference in average    
                       score from the base case: -0.0171                                           (00:25:46)
[INFO]       Auto_mut: Effect of mutation residue number 364 from chain A (phenylalanine) into     
                       lysine: Energy difference: 0.7457 kcal/mol, Difference in average score     
                       from the base case: -0.0161                                                 (00:25:46)
[INFO]       Auto_mut: Effect of mutation residue number 364 from chain A (phenylalanine) into     
                       aspartic acid: Energy difference: 2.0585 kcal/mol, Difference in average    
                       score from the base case: -0.0181                                           (00:25:46)
[INFO]       Auto_mut: Effect of mutation residue number 364 from chain A (phenylalanine) into     
                       arginine: Energy difference: 0.9223 kcal/mol, Difference in average score   
                       from the base case: -0.0206                                                 (00:25:46)
[INFO]       Main:     Simulation completed successfully.                                          (00:25:58)

Note Your prediction results will be deleted after 360 days.

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Show buried residues

Minimal score value: -4.7204
Maximal score value: 1.3977
Average score: -0.986
Total score value: -560.0268

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
1	M	A	0.7143
2	A	A	0.2860
3	M	A	0.4984
4	F	A	0.0000
5	M	A	0.1275
6	V	A	0.0000
7	K	A	-1.8520
8	N	A	-2.1064
9	G	A	-1.7329
10	N	A	-2.0559
11	G	A	-1.6654
12	T	A	-1.5789
13	A	A	0.0000
14	C	A	0.0000
15	I	A	0.0000
16	M	A	0.0000
17	A	A	0.0000
18	N	A	-0.2603
19	F	A	0.0000
20	S	A	-0.4580
21	A	A	0.0000
22	A	A	-0.9401
23	F	A	0.0000
24	S	A	-0.8781
25	V	A	0.0000
26	N	A	-2.7029
27	Y	A	0.0000
28	D	A	-3.3991
29	T	A	-2.8334
30	K	A	-2.5841
31	S	A	-1.8745
32	G	A	-1.8123
33	P	A	-2.7250
34	K	A	-3.3583
35	N	A	-2.7615
36	M	A	-0.9844
37	T	A	-0.6198
38	F	A	-0.5949
39	D	A	-1.6964
40	L	A	-0.9534
41	P	A	-1.1452
42	S	A	-1.0965
43	D	A	-1.9844
44	A	A	-0.9128
45	T	A	-0.1588
46	V	A	0.4618
47	V	A	0.2400
48	L	A	0.4613
49	N	A	-1.1855
50	R	A	-1.6101
51	S	A	0.0000
52	S	A	-1.4005
53	C	A	-1.4254
54	G	A	0.0000
55	K	A	-3.4608
56	E	A	-3.6282
57	N	A	-2.9853
58	T	A	-2.2560
59	S	A	-2.4758
60	D	A	-3.3017
61	P	A	0.0000
62	S	A	-1.0111
63	L	A	0.0000
64	V	A	0.0000
65	I	A	0.0000
66	A	A	-0.4928
67	F	A	0.0000
68	G	A	-1.8376
69	R	A	-2.3832
70	G	A	-1.1387
71	H	A	0.0000
72	T	A	0.0000
73	L	A	0.0000
74	T	A	-0.4502
75	L	A	0.0000
76	N	A	-0.9454
77	F	A	0.0000
78	T	A	-2.3509
79	R	A	-3.2886
80	N	A	-2.4761
81	A	A	-1.2214
82	T	A	-1.4275
83	R	A	-2.6854
84	Y	A	0.0000
85	S	A	-2.0636
86	V	A	0.0000
87	Q	A	-1.1376
88	L	A	-0.1114
89	M	A	0.0000
90	S	A	-0.5205
91	F	A	0.0000
92	V	A	0.0119
93	Y	A	0.0000
94	N	A	-1.0172
95	L	A	0.0000
96	S	A	-1.5987
97	D	A	0.0000
98	T	A	-1.2454
99	H	A	-1.3729
100	L	A	-0.6624
101	F	A	0.0000
102	P	A	-1.1736
103	N	A	-2.5122
104	A	A	-2.4888
105	S	A	-2.2306
106	S	A	-2.1341
107	K	A	-2.6252
108	E	A	-2.2049
109	I	A	-0.1883
110	K	A	-0.7617
111	T	A	-0.6287
112	V	A	0.0000
113	E	A	-1.6782
114	S	A	-0.3795
115	I	A	0.9246
116	T	A	-0.7827
117	D	A	-2.2674
118	I	A	0.0000
119	R	A	-3.0444
120	A	A	0.0000
121	D	A	-2.0560
122	I	A	-1.7823
123	D	A	-2.4498
124	K	A	-2.6705
125	K	A	0.0000
126	Y	A	0.0000
127	R	A	-1.5822
128	C	A	0.0000
129	V	A	0.3545
130	S	A	-0.7804
131	G	A	-0.8587
132	T	A	0.0000
133	Q	A	-1.7878
134	V	A	0.0000
135	H	A	-1.7151
136	M	A	0.0000
137	N	A	-2.1915
138	N	A	-1.7679
139	V	A	0.0000
140	T	A	-1.1626
141	V	A	0.0000
142	T	A	-1.0589
143	L	A	0.0000
144	H	A	-0.7760
145	D	A	-0.7792
146	A	A	0.0000
147	T	A	0.0000
148	I	A	0.0000
149	Q	A	0.0000
150	A	A	0.0000
151	Y	A	-0.5976
152	L	A	0.0000
153	S	A	-1.0574
154	N	A	-1.3832
155	S	A	-0.8131
156	S	A	-0.8135
157	F	A	-0.9326
158	S	A	-1.9119
159	R	A	-2.5880
160	G	A	-2.2863
161	E	A	-2.3130
162	T	A	-2.5639
163	R	A	-3.3926
164	C	A	0.0000
165	E	A	-3.8947
166	Q	A	-2.9418
167	D	A	-2.6631
168	R	A	-3.5766
169	P	A	-1.8102
170	S	A	-1.4061
171	P	A	-0.7223
172	T	A	-0.3448
173	T	A	-0.2750
174	A	A	-0.2083
175	P	A	-0.4008
176	P	A	-0.4342
177	A	A	-0.3460
178	P	A	-0.5419
179	P	A	-0.5798
180	S	A	-0.6088
181	P	A	-0.6545
182	S	A	-0.6273
183	P	A	-0.3334
184	S	A	-0.1450
185	P	A	0.0717
186	V	A	0.9597
187	P	A	-0.2311
188	K	A	-1.5986
189	S	A	-1.1225
190	P	A	0.0000
191	S	A	-0.9660
192	V	A	-1.0115
193	D	A	-2.0283
194	K	A	-2.0993
195	Y	A	0.0000
196	N	A	-0.9925
197	V	A	0.0000
198	S	A	-0.7017
199	G	A	-0.8179
200	T	A	-0.8711
201	N	A	-1.4860
202	G	A	-1.0046
203	T	A	-0.3816
204	C	A	0.0405
205	L	A	0.0000
206	L	A	0.7253
207	A	A	-0.3657
208	S	A	-1.1061
209	M	A	0.0000
210	G	A	0.0000
211	L	A	0.0000
212	Q	A	-0.5322
213	L	A	0.0000
214	N	A	-0.6557
215	L	A	0.0000
216	T	A	-0.5483
217	Y	A	0.0000
218	E	A	-3.2132
219	R	A	-4.0064
220	K	A	-4.7204
221	D	A	-3.9824
222	N	A	-3.4526
223	T	A	-2.1548
224	T	A	-1.4571
225	V	A	-0.4610
226	T	A	-0.2382
227	R	A	-0.1561
228	L	A	0.5719
229	L	A	0.3188
230	N	A	-0.5530
231	I	A	0.0000
232	N	A	-2.2916
233	P	A	-2.4025
234	N	A	-2.7669
235	K	A	-3.3081
236	T	A	-2.2097
237	S	A	-1.3568
238	A	A	-0.8529
239	S	A	-0.8502
240	G	A	-0.7894
241	S	A	-0.3200
242	C	A	-0.1659
243	G	A	-0.1197
244	A	A	0.0453
245	H	A	-0.4529
246	L	A	0.1688
247	V	A	0.2350
248	T	A	-0.1097
249	L	A	0.0000
250	E	A	-0.8294
251	L	A	0.0000
252	H	A	-1.3234
253	S	A	-2.1484
254	E	A	-2.9754
255	G	A	-1.3632
256	T	A	-0.4113
257	T	A	0.0000
258	V	A	-0.4575
259	L	A	0.0000
260	L	A	-0.4920
261	F	A	0.0000
262	Q	A	-0.4561
263	F	A	-0.0025
264	G	A	0.0000
265	M	A	-0.2074
266	N	A	-0.9167
267	A	A	-0.3718
268	S	A	-0.6745
269	S	A	-0.5472
270	S	A	-0.3448
271	R	A	-0.7199
272	F	A	-0.2119
273	F	A	-0.4463
274	L	A	0.0000
275	Q	A	-0.9075
276	G	A	0.0000
277	I	A	0.0000
278	Q	A	-1.3776
279	L	A	0.0000
280	N	A	-0.5678
281	T	A	0.0000
282	I	A	0.8048
283	L	A	0.0000
284	P	A	-1.0246
285	D	A	-2.1678
286	A	A	0.0000
287	R	A	-4.6203
288	D	A	-3.1973
289	P	A	-1.6312
290	A	A	-0.6257
291	F	A	0.0000
292	K	A	-0.9004
293	A	A	0.0000
294	A	A	-0.9426
295	N	A	-1.1480
296	G	A	-1.1629
297	S	A	-0.9272
298	L	A	-1.3564
299	R	A	-1.9447
300	A	A	-1.0748
301	L	A	0.0000
302	Q	A	-1.0230
303	A	A	-0.5092
304	T	A	-0.2406
305	V	A	0.5831
306	G	A	-0.4712
307	N	A	-1.3367
308	S	A	-0.7210
309	Y	A	-0.6665
310	K	A	-2.0561
311	C	A	-1.6707
312	N	A	-2.4904
313	A	A	-2.0594
314	E	A	-2.4850
315	E	A	-1.8822
316	H	A	-2.1990
317	V	A	0.0000
318	R	A	-2.4601
319	V	A	0.0000
320	T	A	-0.9373
321	K	A	-0.3914
322	A	A	0.1955
323	F	A	1.3295
324	G	A	0.1873
325	G	A	-0.5999
326	G	A	-0.7339
327	G	A	-0.5867
328	S	A	-1.0239
329	L	A	0.0000
330	E	A	-1.8087
331	V	A	0.0000
332	L	A	-1.4033
333	F	A	0.0000
334	Q	A	-1.7740
335	G	A	-1.8166
336	P	A	-2.1197
337	E	A	-2.7238
338	P	A	-2.1633
339	K	A	-2.5014
340	S	A	-1.6892
341	C	A	-1.2629
342	D	A	-2.7458
343	K	A	-2.6790
344	T	A	-1.6840
345	H	A	-1.5201
346	T	A	-0.5459
347	C	A	0.4220
348	P	A	0.0073
349	P	A	0.0985
350	C	A	0.5068
351	P	A	-0.2956
352	A	A	-0.3599
353	P	A	-0.8664
354	E	A	-1.1010
355	L	A	0.6840
356	L	A	1.3104
357	G	A	0.1831
358	G	A	-0.3406
359	P	A	0.0000
360	S	A	-0.3652
361	V	A	0.0000
362	F	A	0.7073
363	L	A	0.7114
364	F	A	1.0597
365	P	A	-0.1464
366	P	A	0.0000
367	K	A	-2.0358
368	P	A	-1.2648
369	K	A	-1.1556
370	D	A	-1.4013
371	T	A	0.0000
372	L	A	-0.3348
373	M	A	0.2755
374	I	A	1.3977
375	S	A	-0.0992
376	R	A	-1.3853
377	T	A	-0.9235
378	P	A	0.0000
379	E	A	-1.3196
380	V	A	0.0000
381	T	A	-0.0366
382	C	A	0.0000
383	V	A	0.0000
384	V	A	0.0000
385	V	A	0.0000
386	D	A	-1.5986
387	V	A	0.0000
388	S	A	-2.0512
389	H	A	-2.5500
390	E	A	-2.9551
391	D	A	-2.5715
392	P	A	-2.6927
393	E	A	-3.0797
394	V	A	-2.0139
395	K	A	-2.2557
396	F	A	-1.3742
397	N	A	-1.2460
398	W	A	0.0000
399	Y	A	-0.7269
400	V	A	-0.9127
401	D	A	-2.1425
402	G	A	-0.9447
403	V	A	0.4624
404	E	A	-0.9108
405	V	A	-0.6642
406	H	A	-1.9252
407	N	A	-2.1810
408	A	A	-1.8835
409	K	A	-2.3552
410	T	A	-1.6500
411	K	A	-2.1349
412	P	A	-2.3328
413	R	A	-3.6162
414	E	A	-3.8169
415	E	A	-3.5244
416	Q	A	-1.8391
417	Y	A	-0.2126
418	N	A	-1.4289
419	S	A	-1.7100
420	T	A	-2.2719
421	Y	A	-2.7730
422	R	A	-2.7762
423	V	A	0.0000
424	V	A	-1.0232
425	S	A	0.0000
426	V	A	0.0000
427	L	A	0.0000
428	T	A	-0.7610
429	V	A	0.0000
430	L	A	0.6586
431	H	A	0.0000
432	Q	A	-0.8863
433	D	A	-1.1028
434	W	A	0.0000
435	L	A	-0.8402
436	N	A	-2.1148
437	G	A	-2.0078
438	K	A	-2.1227
439	E	A	-2.1382
440	Y	A	0.0000
441	K	A	-1.5924
442	C	A	0.0000
443	K	A	-1.6275
444	V	A	0.0000
445	S	A	-1.4963
446	N	A	0.0000
447	K	A	-2.5666
448	A	A	-1.3175
449	L	A	-0.7210
450	P	A	-0.6497
451	A	A	-0.7462
452	P	A	-0.9558
453	I	A	-0.9664
454	E	A	-2.1740
455	K	A	-1.3536
456	T	A	-0.8578
457	I	A	-0.1722
458	S	A	-1.1518
459	K	A	-1.3019
460	A	A	-1.1787
461	K	A	-2.3608
462	G	A	-2.0355
463	Q	A	-2.2590
464	P	A	-2.0225
465	R	A	-2.6811
466	E	A	-3.0495
467	P	A	0.0000
468	Q	A	-1.6020
469	V	A	0.0000
470	Y	A	0.2178
471	T	A	0.1435
472	L	A	0.6028
473	P	A	-0.1262
474	P	A	-0.9347
475	S	A	-1.6565
476	R	A	-2.8626
477	E	A	-3.1214
478	E	A	-2.6376
479	M	A	-2.3985
480	T	A	-2.2152
481	K	A	-3.1864
482	N	A	-3.0363
483	Q	A	-2.8519
484	V	A	0.0000
485	S	A	-0.7648
486	L	A	0.0000
487	T	A	0.0000
488	C	A	0.0000
489	L	A	0.3382
490	V	A	0.0000
491	K	A	-0.8040
492	G	A	-1.4412
493	F	A	0.0000
494	Y	A	-1.1713
495	P	A	0.0000
496	S	A	0.1752
497	D	A	-0.9532
498	I	A	-0.4912
499	A	A	0.0000
500	V	A	0.0000
501	E	A	-1.2946
502	W	A	0.0000
503	E	A	-1.7856
504	S	A	0.0000
505	N	A	-1.7879
506	G	A	-1.7181
507	Q	A	-2.2786
508	P	A	-1.9865
509	E	A	-1.9994
510	N	A	-2.4873
511	N	A	-2.4087
512	Y	A	-2.1502
513	K	A	-2.4819
514	T	A	-1.0917
515	T	A	-0.4508
516	P	A	-0.0271
517	P	A	0.4741
518	V	A	1.1086
519	L	A	1.0772
520	D	A	-0.7272
521	S	A	-1.1732
522	D	A	-2.0647
523	G	A	-0.9816
524	S	A	0.0000
525	F	A	0.2129
526	F	A	0.5676
527	L	A	0.0000
528	Y	A	0.1173
529	S	A	0.0000
530	K	A	-1.7502
531	L	A	0.0000
532	T	A	-1.5770
533	V	A	0.0000
534	D	A	-2.6761
535	K	A	-2.8988
536	S	A	-2.2895
537	R	A	-2.0653
538	W	A	0.0000
539	Q	A	-2.3766
540	Q	A	-2.1343
541	G	A	-1.1898
542	N	A	-0.9287
543	V	A	0.2307
544	F	A	0.0000
545	S	A	-1.1716
546	C	A	0.0000
547	S	A	0.0000
548	V	A	0.0000
549	M	A	0.0000
550	H	A	0.0000
551	E	A	-1.1266
552	A	A	-1.6509
553	L	A	-1.6034
554	H	A	-1.7934
555	N	A	-1.6857
556	H	A	-1.1905
557	Y	A	-0.6064
558	T	A	-1.1117
559	Q	A	-1.7026
560	K	A	-1.5642
561	S	A	-0.5947
562	L	A	0.0000
563	S	A	-0.0764
564	L	A	-0.3747
565	S	A	-0.6989
566	P	A	-0.9384
567	G	A	-1.4077
568	K	A	-2.0210

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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
LK356A	-1.9636	-0.0199	View	CSV	PDB
LD356A	-1.5995	-0.0197	View	CSV	PDB
IE374A	-0.4938	-0.0269	View	CSV	PDB
FR323A	-0.3084	-0.0272	View	CSV	PDB
ID374A	-0.2438	-0.0273	View	CSV	PDB
FK323A	-0.2556	-0.0267	View	CSV	PDB
VK518A	-0.67	-0.0103	View	CSV	PDB
VR518A	-0.3591	-0.0124	View	CSV	PDB
LR519A	0.1901	-0.0289	View	CSV	PDB
LK519A	0.3282	-0.0289	View	CSV	PDB
FR364A	0.9223	-0.0206	View	CSV	PDB
FK364A	0.7457	-0.0161	View	CSV	PDB

Project name: 123456

Status: done

Started: 2024-07-08 05:38:25

Automated mutations analysis

Mutant

Energetic effect

Score comparison