Aggrescan3D: 143-311-0

Project name: 143-311-0

Status: done

Started: 2025-06-03 01:51:22

Settings

Chain sequence(s)	A: MGHNHNHNHNHNHNGGDDDDKMKIEEGKLVIWINGDKGYNGLAEVGKKFEKDTGIKVTVEHPDKLEEKFPQVAATGDGPDIIFWAHDRFGGYAQSGLLAEITPDKAFQDKLYPFTWDAVRYNGKLIAYPIAVEALSLIYNKDLLPNPPKTWEEIPALDKELKAKGKSALMFNLQEPYFTWPLIAADGGYAFKYENGKYDIKDVGVDNAGAKAGLTFLVDLIKNKHMNADTDYSIAEAAFNKGETAMTINGPWAWSNIDTSKVNYGVTVLPTFKGQPSKPFVGVLSAGINAASPNKELAKEFLENYLLTDEGLEAVNKDKPLGAVALKSYEEELAKDPRIAATMENAQKGEIMPNIPQMSAFWYAVRTAVINAASGRQTVDEALKDAQTNSSSNNNNNNNNNNLGIEGRGSKEISNTVSNEMSKKASYDNVDTLIEKGRYNTKYNYLKRMEKYYPNAMAYFDKVTINPQGNDFYINNPKVELDGEPSMNYLEDVYVGKALLTNDTQQEQKLKSQSFTCKNTDTVTATTTPTVGTSIQATAKFTVPFNETGVSLTTSYSFANTNTNTNSKEITHNVPSQDILVPANTTVEVIAYLKKVNVKGNVKLVGQVSGSEWGEIPSYAAFPRDGYKFSLSDTVNKSDLNEDGTININGKGNYSAVMGDELIVKVRNLNTNNVQEYVIPVDKKEKSNDSNIVKYRSLSIKAPGIKSGSDSIPKNTISQKTVSNTMGYKIGGSIEIEENKPKASIESEYAESSTIEYVQPDFSTIQTDHSTSKASWDTKFTETTRGNYNLKSNNPVYGNEMFMYGRYTNVPATENIIPDYQMSKLITGGLNPNMSVVLTAPNGTEESIIKVKMERERNCYYLNWNGANWVGQVYSRLAVDGGKKKKKKEEHHHHHH 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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:24:11)
[INFO]       Auto_mut: Residue number 837 from chain A and a score of 2.873 (valine) selected for  
                       automated muatation                                                         (00:24:26)
[INFO]       Auto_mut: Residue number 838 from chain A and a score of 2.772 (leucine) selected for 
                       automated muatation                                                         (00:24:26)
[INFO]       Auto_mut: Residue number 848 from chain A and a score of 2.261 (isoleucine) selected  
                       for automated muatation                                                     (00:24:26)
[INFO]       Auto_mut: Residue number 849 from chain A and a score of 2.184 (isoleucine) selected  
                       for automated muatation                                                     (00:24:26)
[INFO]       Auto_mut: Residue number 836 from chain A and a score of 1.751 (valine) selected for  
                       automated muatation                                                         (00:24:26)
[INFO]       Auto_mut: Residue number 717 from chain A and a score of 1.116 (isoleucine) selected  
                       for automated muatation                                                     (00:24:26)
[INFO]       Auto_mut: Mutating residue number 837 from chain A (valine) into aspartic acid        (00:24:26)
[INFO]       Auto_mut: Mutating residue number 837 from chain A (valine) into glutamic acid        (00:24:26)
[INFO]       Auto_mut: Mutating residue number 838 from chain A (leucine) into glutamic acid       (00:24:26)
[INFO]       Auto_mut: Mutating residue number 837 from chain A (valine) into arginine             (00:36:36)
[INFO]       Auto_mut: Mutating residue number 838 from chain A (leucine) into lysine              (00:36:47)
[INFO]       Auto_mut: Mutating residue number 837 from chain A (valine) into lysine               (00:37:03)
[INFO]       Auto_mut: Mutating residue number 838 from chain A (leucine) into aspartic acid       (00:48:50)
[INFO]       Auto_mut: Mutating residue number 848 from chain A (isoleucine) into glutamic acid    (00:49:09)
[INFO]       Auto_mut: Mutating residue number 848 from chain A (isoleucine) into aspartic acid    (00:50:02)
[INFO]       Auto_mut: Mutating residue number 838 from chain A (leucine) into arginine            (01:00:53)
[INFO]       Auto_mut: Mutating residue number 848 from chain A (isoleucine) into lysine           (01:01:13)
[INFO]       Auto_mut: Mutating residue number 848 from chain A (isoleucine) into arginine         (01:02:45)
[INFO]       Auto_mut: Mutating residue number 849 from chain A (isoleucine) into glutamic acid    (01:13:08)
[INFO]       Auto_mut: Mutating residue number 849 from chain A (isoleucine) into aspartic acid    (01:13:25)
[INFO]       Auto_mut: Mutating residue number 836 from chain A (valine) into glutamic acid        (01:15:35)
[INFO]       Auto_mut: Mutating residue number 849 from chain A (isoleucine) into lysine           (01:25:28)
[INFO]       Auto_mut: Mutating residue number 849 from chain A (isoleucine) into arginine         (01:25:40)
[INFO]       Auto_mut: Mutating residue number 836 from chain A (valine) into lysine               (01:28:15)
[INFO]       Auto_mut: Mutating residue number 836 from chain A (valine) into aspartic acid        (01:37:52)
[INFO]       Auto_mut: Mutating residue number 717 from chain A (isoleucine) into glutamic acid    (01:37:57)
[INFO]       Auto_mut: Mutating residue number 717 from chain A (isoleucine) into aspartic acid    (01:41:39)
[INFO]       Auto_mut: Mutating residue number 836 from chain A (valine) into arginine             (01:50:08)
[INFO]       Auto_mut: Mutating residue number 717 from chain A (isoleucine) into lysine           (01:50:30)
[INFO]       Auto_mut: Mutating residue number 717 from chain A (isoleucine) into arginine         (01:54:18)
[INFO]       Auto_mut: Effect of mutation residue number 837 from chain A (valine) into glutamic   
                       acid: Energy difference: -0.4323 kcal/mol, Difference in average score from 
                       the base case: -0.0091                                                      (02:06:44)
[INFO]       Auto_mut: Effect of mutation residue number 837 from chain A (valine) into lysine:    
                       Energy difference: -0.9680 kcal/mol, Difference in average score from the   
                       base case: -0.0083                                                          (02:06:44)
[INFO]       Auto_mut: Effect of mutation residue number 837 from chain A (valine) into aspartic   
                       acid: Energy difference: -0.5836 kcal/mol, Difference in average score from 
                       the base case: -0.0090                                                      (02:06:44)
[INFO]       Auto_mut: Effect of mutation residue number 837 from chain A (valine) into arginine:  
                       Energy difference: -0.9476 kcal/mol, Difference in average score from the   
                       base case: -0.0086                                                          (02:06:44)
[INFO]       Auto_mut: Effect of mutation residue number 838 from chain A (leucine) into glutamic  
                       acid: Energy difference: 0.4100 kcal/mol, Difference in average score from  
                       the base case: -0.0090                                                      (02:06:44)
[INFO]       Auto_mut: Effect of mutation residue number 838 from chain A (leucine) into lysine:   
                       Energy difference: 0.0349 kcal/mol, Difference in average score from the    
                       base case: -0.0097                                                          (02:06:44)
[INFO]       Auto_mut: Effect of mutation residue number 838 from chain A (leucine) into aspartic  
                       acid: Energy difference: 0.4265 kcal/mol, Difference in average score from  
                       the base case: -0.0077                                                      (02:06:44)
[INFO]       Auto_mut: Effect of mutation residue number 838 from chain A (leucine) into arginine: 
                       Energy difference: 0.4506 kcal/mol, Difference in average score from the    
                       base case: -0.0103                                                          (02:06:44)
[INFO]       Auto_mut: Effect of mutation residue number 848 from chain A (isoleucine) into        
                       glutamic acid: Energy difference: -0.2936 kcal/mol, Difference in average   
                       score from the base case: -0.0081                                           (02:06:44)
[INFO]       Auto_mut: Effect of mutation residue number 848 from chain A (isoleucine) into        
                       lysine: Energy difference: -0.1889 kcal/mol, Difference in average score    
                       from the base case: -0.0101                                                 (02:06:44)
[INFO]       Auto_mut: Effect of mutation residue number 848 from chain A (isoleucine) into        
                       aspartic acid: Energy difference: -0.1418 kcal/mol, Difference in average   
                       score from the base case: -0.0080                                           (02:06:44)
[INFO]       Auto_mut: Effect of mutation residue number 848 from chain A (isoleucine) into        
                       arginine: Energy difference: -0.2181 kcal/mol, Difference in average score  
                       from the base case: -0.0082                                                 (02:06:44)
[INFO]       Auto_mut: Effect of mutation residue number 849 from chain A (isoleucine) into        
                       glutamic acid: Energy difference: 0.3968 kcal/mol, Difference in average    
                       score from the base case: -0.0101                                           (02:06:44)
[INFO]       Auto_mut: Effect of mutation residue number 849 from chain A (isoleucine) into        
                       lysine: Energy difference: 0.1409 kcal/mol, Difference in average score     
                       from the base case: -0.0100                                                 (02:06:44)
[INFO]       Auto_mut: Effect of mutation residue number 849 from chain A (isoleucine) into        
                       aspartic acid: Energy difference: 0.6270 kcal/mol, Difference in average    
                       score from the base case: -0.0102                                           (02:06:44)
[INFO]       Auto_mut: Effect of mutation residue number 849 from chain A (isoleucine) into        
                       arginine: Energy difference: 0.1517 kcal/mol, Difference in average score   
                       from the base case: -0.0102                                                 (02:06:44)
[INFO]       Auto_mut: Effect of mutation residue number 836 from chain A (valine) into glutamic   
                       acid: Energy difference: 0.4311 kcal/mol, Difference in average score from  
                       the base case: -0.0075                                                      (02:06:44)
[INFO]       Auto_mut: Effect of mutation residue number 836 from chain A (valine) into lysine:    
                       Energy difference: 0.8748 kcal/mol, Difference in average score from the    
                       base case: -0.0018                                                          (02:06:44)
[INFO]       Auto_mut: Effect of mutation residue number 836 from chain A (valine) into aspartic   
                       acid: Energy difference: 1.1915 kcal/mol, Difference in average score from  
                       the base case: -0.0070                                                      (02:06:44)
[INFO]       Auto_mut: Effect of mutation residue number 836 from chain A (valine) into arginine:  
                       Energy difference: 0.0766 kcal/mol, Difference in average score from the    
                       base case: -0.0010                                                          (02:06:44)
[INFO]       Auto_mut: Effect of mutation residue number 717 from chain A (isoleucine) into        
                       glutamic acid: Energy difference: 0.1473 kcal/mol, Difference in average    
                       score from the base case: -0.0105                                           (02:06:44)
[INFO]       Auto_mut: Effect of mutation residue number 717 from chain A (isoleucine) into        
                       lysine: Energy difference: -0.6946 kcal/mol, Difference in average score    
                       from the base case: -0.0082                                                 (02:06:44)
[INFO]       Auto_mut: Effect of mutation residue number 717 from chain A (isoleucine) into        
                       aspartic acid: Energy difference: -0.0037 kcal/mol, Difference in average   
                       score from the base case: -0.0113                                           (02:06:44)
[INFO]       Auto_mut: Effect of mutation residue number 717 from chain A (isoleucine) into        
                       arginine: Energy difference: -1.1176 kcal/mol, Difference in average score  
                       from the base case: -0.0093                                                 (02:06:44)
[INFO]       Main:     Simulation completed successfully.                                          (02:07:07)

Note Your prediction results will be deleted after 360 days.

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Show buried residues

Minimal score value: -4.8072
Maximal score value: 2.873
Average score: -1.0755
Total score value: -963.6899

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	0.4119
2	G	A	-0.9228
3	H	A	-2.0148
4	N	A	-2.7413
5	H	A	-3.0297
6	N	A	-3.2488
7	H	A	-3.1517
8	N	A	-3.2583
9	H	A	-3.1732
10	N	A	-3.2687
11	H	A	-3.1894
12	N	A	-3.2151
13	H	A	-2.9394
14	N	A	-2.9077
15	G	A	-2.6109
16	G	A	-2.9347
17	D	A	-4.0268
18	D	A	-4.5046
19	D	A	-4.6269
20	D	A	-4.2732
21	K	A	-3.8722
22	M	A	-2.7176
23	K	A	-3.0892
24	I	A	0.0000
25	E	A	-3.5121
26	E	A	-3.2384
27	G	A	-2.0671
28	K	A	-2.1916
29	L	A	0.0000
30	V	A	-0.2871
31	I	A	0.0000
32	W	A	0.0000
33	I	A	0.0000
34	N	A	-2.0400
35	G	A	-2.3575
36	D	A	-2.3755
37	K	A	-1.9503
38	G	A	0.0000
39	Y	A	-1.5421
40	N	A	-2.0758
41	G	A	0.0000
42	L	A	0.0000
43	A	A	-1.7874
44	E	A	-2.8972
45	V	A	0.0000
46	G	A	0.0000
47	K	A	-3.8558
48	K	A	-3.3475
49	F	A	0.0000
50	E	A	-3.7623
51	K	A	-3.9046
52	D	A	-3.3848
53	T	A	-2.1666
54	G	A	-2.2971
55	I	A	-2.0598
56	K	A	-2.0818
57	V	A	0.0000
58	T	A	-0.4818
59	V	A	-0.5505
60	E	A	-1.3622
61	H	A	-2.1559
62	P	A	-2.1608
63	D	A	-3.4040
64	K	A	-3.6412
65	L	A	0.0000
66	E	A	-2.5774
67	E	A	-3.5387
68	K	A	-2.9919
69	F	A	0.0000
70	P	A	-1.5442
71	Q	A	-2.0358
72	V	A	-1.2186
73	A	A	0.0000
74	A	A	-0.5364
75	T	A	-0.6797
76	G	A	-0.7888
77	D	A	-1.4336
78	G	A	-0.8356
79	P	A	0.0000
80	D	A	0.0000
81	I	A	0.0000
82	I	A	0.0000
83	F	A	0.0000
84	W	A	-0.2947
85	A	A	-0.4804
86	H	A	0.0000
87	D	A	-1.0670
88	R	A	-1.8214
89	F	A	0.0000
90	G	A	0.0000
91	G	A	-1.2801
92	Y	A	0.0000
93	A	A	-1.6511
94	Q	A	-1.6783
95	S	A	-1.0839
96	G	A	-1.1506
97	L	A	0.0000
98	L	A	0.0000
99	A	A	-1.1175
100	E	A	-2.1494
101	I	A	0.0000
102	T	A	-1.4014
103	P	A	0.0000
104	D	A	-2.9041
105	K	A	-3.2299
106	A	A	-2.1929
107	F	A	0.0000
108	Q	A	-2.4758
109	D	A	-3.1342
110	K	A	-2.3318
111	L	A	0.0000
112	Y	A	-0.9347
113	P	A	-0.9393
114	F	A	-0.5233
115	T	A	0.0000
116	W	A	0.0000
117	D	A	-1.5173
118	A	A	0.0000
119	V	A	0.0000
120	R	A	-2.3861
121	Y	A	-2.1472
122	N	A	-2.6142
123	G	A	-2.5610
124	K	A	-2.7619
125	L	A	0.0000
126	I	A	0.0000
127	A	A	0.0000
128	Y	A	0.0000
129	P	A	0.0000
130	I	A	0.0000
131	A	A	0.0000
132	V	A	0.0000
133	E	A	-0.6266
134	A	A	0.0000
135	L	A	0.0000
136	S	A	0.0000
137	L	A	0.0000
138	I	A	0.0000
139	Y	A	-0.5076
140	N	A	0.0000
141	K	A	-2.0250
142	D	A	-2.2927
143	L	A	-1.4351
144	L	A	0.0000
145	P	A	-1.5843
146	N	A	-1.9195
147	P	A	-1.2648
148	P	A	0.0000
149	K	A	-2.2933
150	T	A	-2.0897
151	W	A	0.0000
152	E	A	-2.2962
153	E	A	-2.0923
154	I	A	0.0000
155	P	A	-1.7833
156	A	A	-1.4359
157	L	A	-1.6440
158	D	A	0.0000
159	K	A	-3.5673
160	E	A	-3.5555
161	L	A	0.0000
162	K	A	-3.7397
163	A	A	-2.8203
164	K	A	-3.1940
165	G	A	-2.8596
166	K	A	-2.9109
167	S	A	-2.0324
168	A	A	0.0000
169	L	A	0.0000
170	M	A	-0.0829
171	F	A	0.0000
172	N	A	0.0000
173	L	A	0.0000
174	Q	A	-0.7306
175	E	A	-0.3974
176	P	A	0.0000
177	Y	A	-0.0290
178	F	A	0.0000
179	T	A	0.0000
180	W	A	0.0000
181	P	A	0.0000
182	L	A	0.0000
183	I	A	0.0000
184	A	A	0.0000
185	A	A	0.0000
186	D	A	-1.3699
187	G	A	-0.7348
188	G	A	0.0000
189	Y	A	-0.1976
190	A	A	0.0000
191	F	A	0.0000
192	K	A	-1.7474
193	Y	A	-1.7025
194	E	A	-2.9416
195	N	A	-2.7337
196	G	A	-2.7532
197	K	A	-2.9605
198	Y	A	-1.7536
199	D	A	-1.6894
200	I	A	-1.3730
201	K	A	-2.2633
202	D	A	-1.4353
203	V	A	0.0000
204	G	A	0.0000
205	V	A	0.0000
206	D	A	-2.2642
207	N	A	-1.3421
208	A	A	-0.8296
209	G	A	0.0000
210	A	A	0.0000
211	K	A	-1.5705
212	A	A	-0.8260
213	G	A	0.0000
214	L	A	0.0000
215	T	A	-0.5042
216	F	A	-0.5634
217	L	A	0.0000
218	V	A	0.0000
219	D	A	-2.2915
220	L	A	0.0000
221	I	A	0.0000
222	K	A	-3.4811
223	N	A	-3.3452
224	K	A	-3.4467
225	H	A	0.0000
226	M	A	0.0000
227	N	A	-2.0302
228	A	A	-1.3049
229	D	A	-1.1481
230	T	A	0.0000
231	D	A	-0.4902
232	Y	A	0.2405
233	S	A	0.3002
234	I	A	0.8882
235	A	A	0.0000
236	E	A	-0.4396
237	A	A	-0.6522
238	A	A	0.0000
239	F	A	0.0000
240	N	A	-2.1165
241	K	A	-2.5959
242	G	A	-2.2609
243	E	A	-2.5827
244	T	A	0.0000
245	A	A	0.0000
246	M	A	0.0000
247	T	A	0.0000
248	I	A	0.0000
249	N	A	0.0000
250	G	A	0.0000
251	P	A	-0.0068
252	W	A	0.2286
253	A	A	0.0000
254	W	A	0.0000
255	S	A	-1.1965
256	N	A	-2.0103
257	I	A	0.0000
258	D	A	-2.4593
259	T	A	-1.7731
260	S	A	-2.1086
261	K	A	-2.6377
262	V	A	-2.0969
263	N	A	-1.7861
264	Y	A	-1.1548
265	G	A	-0.4350
266	V	A	0.0000
267	T	A	-0.3811
268	V	A	-0.4487
269	L	A	0.0000
270	P	A	0.0000
271	T	A	-1.6706
272	F	A	0.0000
273	K	A	-2.4393
274	G	A	-2.0170
275	Q	A	-1.7587
276	P	A	-1.2552
277	S	A	0.0000
278	K	A	-1.0957
279	P	A	0.0000
280	F	A	0.0000
281	V	A	0.0000
282	G	A	-0.3299
283	V	A	0.0000
284	L	A	0.0000
285	S	A	0.0000
286	A	A	0.0000
287	G	A	0.0000
288	I	A	0.0000
289	N	A	0.0000
290	A	A	-0.5179
291	A	A	-0.4630
292	S	A	0.0000
293	P	A	-1.6042
294	N	A	0.0000
295	K	A	-2.1401
296	E	A	-2.5139
297	L	A	-1.5175
298	A	A	0.0000
299	K	A	-2.0891
300	E	A	-2.1917
301	F	A	0.0000
302	L	A	0.0000
303	E	A	-1.2583
304	N	A	-1.7045
305	Y	A	-1.3608
306	L	A	0.0000
307	L	A	0.0000
308	T	A	-1.8303
309	D	A	-2.6780
310	E	A	-2.7023
311	G	A	0.0000
312	L	A	0.0000
313	E	A	-2.4907
314	A	A	-2.4199
315	V	A	0.0000
316	N	A	-1.9850
317	K	A	-2.6937
318	D	A	-2.2912
319	K	A	-2.2074
320	P	A	-1.2133
321	L	A	-0.7361
322	G	A	0.0000
323	A	A	0.0000
324	V	A	0.0000
325	A	A	0.0000
326	L	A	0.0000
327	K	A	-2.0351
328	S	A	-1.8992
329	Y	A	0.0000
330	E	A	0.0000
331	E	A	-3.2577
332	E	A	-3.4319
333	L	A	-2.2000
334	A	A	-2.3335
335	K	A	-2.8846
336	D	A	-1.9610
337	P	A	-1.1448
338	R	A	-1.0515
339	I	A	0.0000
340	A	A	-1.4041
341	A	A	0.0000
342	T	A	0.0000
343	M	A	0.0000
344	E	A	-1.8534
345	N	A	0.0000
346	A	A	0.0000
347	Q	A	-1.9864
348	K	A	-1.7423
349	G	A	-1.2245
350	E	A	-0.5113
351	I	A	-0.2849
352	M	A	0.0715
353	P	A	0.0000
354	N	A	0.0000
355	I	A	-0.5939
356	P	A	-0.7098
357	Q	A	-0.5899
358	M	A	0.0000
359	S	A	0.1123
360	A	A	-0.0723
361	F	A	0.0000
362	W	A	0.5104
363	Y	A	0.9286
364	A	A	0.0000
365	V	A	0.0000
366	R	A	-0.1292
367	T	A	-0.1206
368	A	A	0.0000
369	V	A	0.0000
370	I	A	-0.2813
371	N	A	-0.9490
372	A	A	0.0000
373	A	A	-1.0568
374	S	A	-1.1976
375	G	A	-1.4169
376	R	A	-1.7261
377	Q	A	-1.7520
378	T	A	-1.5235
379	V	A	-1.6028
380	D	A	-2.7499
381	E	A	-3.1863
382	A	A	0.0000
383	L	A	0.0000
384	K	A	-3.5817
385	D	A	-3.3134
386	A	A	0.0000
387	Q	A	-2.3040
388	T	A	-2.1509
389	N	A	-2.0046
390	S	A	0.0000
391	S	A	-1.7087
392	S	A	-2.0461
393	N	A	-3.0345
394	N	A	-3.1538
395	N	A	-3.5423
396	N	A	-3.8595
397	N	A	-3.8939
398	N	A	-3.9444
399	N	A	-3.9581
400	N	A	-3.5287
401	N	A	-3.1018
402	N	A	-1.9938
403	L	A	-0.6852
404	G	A	-0.6177
405	I	A	0.0477
406	E	A	-2.0136
407	G	A	-2.0910
408	R	A	-3.0142
409	G	A	-2.5203
410	S	A	-2.2202
411	K	A	-3.2330
412	E	A	-2.7417
413	I	A	-1.2268
414	S	A	-1.2762
415	N	A	-2.0147
416	T	A	-0.8827
417	V	A	0.0376
418	S	A	-0.8221
419	N	A	-2.1384
420	E	A	-2.1212
421	M	A	-0.6778
422	S	A	-1.5759
423	K	A	-2.2380
424	K	A	-1.5613
425	A	A	-1.1802
426	S	A	-0.9917
427	Y	A	-0.8422
428	D	A	-1.8718
429	N	A	-1.1799
430	V	A	0.0000
431	D	A	-1.2299
432	T	A	-1.3493
433	L	A	0.0000
434	I	A	0.0000
435	E	A	-2.4192
436	K	A	-2.2269
437	G	A	0.0000
438	R	A	-1.5462
439	Y	A	-0.8621
440	N	A	-1.2905
441	T	A	-1.1199
442	K	A	-0.6155
443	Y	A	-0.1222
444	N	A	-1.2903
445	Y	A	0.0000
446	L	A	0.0000
447	K	A	-2.0526
448	R	A	-2.2633
449	M	A	0.0000
450	E	A	-2.1812
451	K	A	-2.1071
452	Y	A	-0.0947
453	Y	A	-0.3842
454	P	A	-0.9316
455	N	A	-1.3971
456	A	A	0.0000
457	M	A	-0.5124
458	A	A	-0.3840
459	Y	A	-0.2067
460	F	A	-0.4079
461	D	A	-1.8907
462	K	A	-1.3827
463	V	A	0.0000
464	T	A	-0.5522
465	I	A	-0.3726
466	N	A	-0.8820
467	P	A	-1.3355
468	Q	A	-1.5661
469	G	A	-1.7128
470	N	A	-2.1548
471	D	A	-1.8988
472	F	A	-0.6735
473	Y	A	0.2016
474	I	A	0.0000
475	N	A	-1.3279
476	N	A	-1.9726
477	P	A	-1.9040
478	K	A	-2.8651
479	V	A	-2.1611
480	E	A	-2.4217
481	L	A	-1.6340
482	D	A	-2.1739
483	G	A	-1.9155
484	E	A	-1.6989
485	P	A	-1.3482
486	S	A	-1.0806
487	M	A	-0.1715
488	N	A	-0.4456
489	Y	A	0.3128
490	L	A	-0.4493
491	E	A	-2.0078
492	D	A	-2.0112
493	V	A	-0.4941
494	Y	A	0.8392
495	V	A	0.3418
496	G	A	-0.0768
497	K	A	-0.6800
498	A	A	-0.4311
499	L	A	0.5799
500	L	A	-0.2023
501	T	A	-0.4056
502	N	A	0.0000
503	D	A	-2.8273
504	T	A	-2.4058
505	Q	A	-2.6379
506	Q	A	-2.7157
507	E	A	-2.6022
508	Q	A	-2.4094
509	K	A	-2.4342
510	L	A	-1.6164
511	K	A	-2.2323
512	S	A	0.0000
513	Q	A	-1.7404
514	S	A	-1.2521
515	F	A	0.0000
516	T	A	-0.7448
517	C	A	-0.5428
518	K	A	-2.0595
519	N	A	0.0000
520	T	A	-1.2955
521	D	A	0.0000
522	T	A	-0.4957
523	V	A	0.0000
524	T	A	-0.5916
525	A	A	0.0000
526	T	A	-1.1152
527	T	A	0.0000
528	T	A	-1.0273
529	P	A	-0.9881
530	T	A	-1.1233
531	V	A	0.0000
532	G	A	0.0000
533	T	A	-0.7095
534	S	A	-0.5516
535	I	A	0.0000
536	Q	A	-1.1362
537	A	A	-0.9382
538	T	A	-1.2041
539	A	A	0.0000
540	K	A	-2.0635
541	F	A	0.0000
542	T	A	-0.6398
543	V	A	0.0000
544	P	A	-0.3608
545	F	A	0.0000
546	N	A	-0.5841
547	E	A	-0.8281
548	T	A	0.0000
549	G	A	-1.1274
550	V	A	0.0000
551	S	A	-0.5478
552	L	A	0.0000
553	T	A	-0.6469
554	T	A	0.0000
555	S	A	-1.1861
556	Y	A	0.0000
557	S	A	-1.1544
558	F	A	0.0000
559	A	A	0.0000
560	N	A	-1.6185
561	T	A	-1.3004
562	N	A	-1.7892
563	T	A	-1.2588
564	N	A	-1.1164
565	T	A	-0.8569
566	N	A	-0.9458
567	S	A	-1.0467
568	K	A	-1.5693
569	E	A	-2.4603
570	I	A	0.0000
571	T	A	-1.3172
572	H	A	0.0000
573	N	A	-0.8192
574	V	A	0.0000
575	P	A	-1.0565
576	S	A	-1.2526
577	Q	A	0.0000
578	D	A	-1.5795
579	I	A	0.0000
580	L	A	-1.4467
581	V	A	0.0000
582	P	A	-1.9603
583	A	A	-2.2248
584	N	A	-2.7880
585	T	A	0.0000
586	T	A	-0.4547
587	V	A	0.0000
588	E	A	-0.0577
589	V	A	0.0000
590	I	A	-0.2344
591	A	A	0.0000
592	Y	A	-0.0324
593	L	A	0.0000
594	K	A	-1.1523
595	K	A	-1.0149
596	V	A	0.0000
597	N	A	0.0000
598	V	A	0.0000
599	K	A	-1.7905
600	G	A	-1.7522
601	N	A	-2.5235
602	V	A	0.0000
603	K	A	-2.1125
604	L	A	0.0000
605	V	A	-1.5344
606	G	A	-1.1622
607	Q	A	-1.1511
608	V	A	0.0000
609	S	A	-0.4327
610	G	A	-0.5895
611	S	A	-1.2952
612	E	A	0.0000
613	W	A	-1.5310
614	G	A	-1.3889
615	E	A	-1.5602
616	I	A	0.0000
617	P	A	-1.0366
618	S	A	-0.9376
619	Y	A	-0.0101
620	A	A	0.2214
621	A	A	0.1546
622	F	A	0.0000
623	P	A	-1.0979
624	R	A	-2.2584
625	D	A	-1.6262
626	G	A	-1.4799
627	Y	A	0.0000
628	K	A	-1.9076
629	F	A	0.0000
630	S	A	-1.3067
631	L	A	0.0000
632	S	A	-1.4876
633	D	A	-2.4487
634	T	A	0.0000
635	V	A	-1.5494
636	N	A	-2.4501
637	K	A	-2.9840
638	S	A	-2.0285
639	D	A	-1.9387
640	L	A	0.0000
641	N	A	-2.1831
642	E	A	-3.0123
643	D	A	-2.8039
644	G	A	-2.1517
645	T	A	0.0000
646	I	A	0.0000
647	N	A	-0.8310
648	I	A	0.0000
649	N	A	-1.4376
650	G	A	0.0000
651	K	A	-1.8518
652	G	A	0.0000
653	N	A	-1.6112
654	Y	A	0.0000
655	S	A	-0.7222
656	A	A	0.0000
657	V	A	0.3501
658	M	A	0.0000
659	G	A	0.0000
660	D	A	0.0000
661	E	A	-0.8788
662	L	A	0.0000
663	I	A	-0.1484
664	V	A	0.0000
665	K	A	-1.2881
666	V	A	0.0000
667	R	A	-1.4829
668	N	A	0.0000
669	L	A	-0.4030
670	N	A	-1.6840
671	T	A	-1.4305
672	N	A	-1.9268
673	N	A	-1.9417
674	V	A	-1.2542
675	Q	A	-2.0723
676	E	A	-1.9483
677	Y	A	-0.5198
678	V	A	0.3957
679	I	A	0.0000
680	P	A	-0.5311
681	V	A	-1.5659
682	D	A	-2.9625
683	K	A	-3.9265
684	K	A	-4.1637
685	E	A	-4.3942
686	K	A	-4.0492
687	S	A	-2.9934
688	N	A	-2.5582
689	D	A	-1.9575
690	S	A	-1.3844
691	N	A	-1.5310
692	I	A	-0.9779
693	V	A	0.0000
694	K	A	-2.1269
695	Y	A	0.0000
696	R	A	-1.7052
697	S	A	-0.7919
698	L	A	-0.2177
699	S	A	-0.7999
700	I	A	0.0000
701	K	A	-1.6545
702	A	A	0.0000
703	P	A	0.0000
704	G	A	-1.2353
705	I	A	-1.2796
706	K	A	-2.4638
707	S	A	-1.5912
708	G	A	-1.6965
709	S	A	-1.9140
710	D	A	-2.5029
711	S	A	-1.0720
712	I	A	0.0000
713	P	A	-1.0340
714	K	A	-0.7603
715	N	A	-0.4179
716	T	A	0.4703
717	I	A	1.1163
718	S	A	-0.0995
719	Q	A	-0.6289
720	K	A	-1.0377
721	T	A	-0.6573
722	V	A	-0.1124
723	S	A	-0.4145
724	N	A	-0.2639
725	T	A	0.1356
726	M	A	0.7525
727	G	A	-0.1141
728	Y	A	0.6215
729	K	A	-0.9594
730	I	A	0.2644
731	G	A	-0.5644
732	G	A	-0.7282
733	S	A	0.4528
734	I	A	1.0378
735	E	A	-0.7616
736	I	A	-0.9195
737	E	A	-2.7886
738	E	A	-3.3412
739	N	A	-3.0646
740	K	A	-3.3565
741	P	A	-2.0618
742	K	A	-2.3900
743	A	A	-0.6666
744	S	A	0.2148
745	I	A	0.5030
746	E	A	-1.3378
747	S	A	-1.2243
748	E	A	-1.9160
749	Y	A	-0.0924
750	A	A	-0.4127
751	E	A	-0.5991
752	S	A	-0.2827
753	S	A	-0.1049
754	T	A	0.1029
755	I	A	0.6873
756	E	A	-0.7975
757	Y	A	0.1300
758	V	A	0.3344
759	Q	A	0.0000
760	P	A	0.0000
761	D	A	0.0000
762	F	A	0.0000
763	S	A	-0.1359
764	T	A	0.0000
765	I	A	-0.0376
766	Q	A	-0.4928
767	T	A	-0.6556
768	D	A	-1.6862
769	H	A	-1.6928
770	S	A	-1.4156
771	T	A	-0.4855
772	S	A	-0.8446
773	K	A	-1.9723
774	A	A	-0.8860
775	S	A	-0.7076
776	W	A	-0.2810
777	D	A	-1.4015
778	T	A	-1.0358
779	K	A	-1.6164
780	F	A	-0.6092
781	T	A	-0.4891
782	E	A	-1.3642
783	T	A	0.0000
784	T	A	-0.7854
785	R	A	-1.3567
786	G	A	-1.3946
787	N	A	-1.4548
788	Y	A	-1.2839
789	N	A	-1.2632
790	L	A	-0.6194
791	K	A	-1.9621
792	S	A	-1.6723
793	N	A	-1.6355
794	N	A	0.0000
795	P	A	-0.5010
796	V	A	0.3076
797	Y	A	0.0000
798	G	A	0.0000
799	N	A	0.0000
800	E	A	0.0000
801	M	A	0.0000
802	F	A	0.0000
803	M	A	0.0000
804	Y	A	0.4352
805	G	A	0.0000
806	R	A	-0.1407
807	Y	A	-0.4604
808	T	A	-0.9862
809	N	A	-1.4821
810	V	A	-0.9900
811	P	A	-0.9544
812	A	A	-0.7516
813	T	A	-0.9458
814	E	A	-2.7733
815	N	A	0.0000
816	I	A	-0.1400
817	I	A	0.0000
818	P	A	-0.9070
819	D	A	-0.9071
820	Y	A	0.2684
821	Q	A	-0.2568
822	M	A	0.0000
823	S	A	0.0000
824	K	A	-0.2501
825	L	A	0.5093
826	I	A	0.7059
827	T	A	0.0779
828	G	A	-0.1118
829	G	A	-0.1992
830	L	A	0.4281
831	N	A	-1.1770
832	P	A	-1.0610
833	N	A	-1.7404
834	M	A	-0.7036
835	S	A	0.4399
836	V	A	1.7509
837	V	A	2.8730
838	L	A	2.7724
839	T	A	0.9825
840	A	A	-0.6697
841	P	A	-1.2117
842	N	A	-1.8782
843	G	A	-1.8742
844	T	A	-2.1776
845	E	A	-3.0866
846	E	A	-2.2169
847	S	A	-0.0025
848	I	A	2.2611
849	I	A	2.1839
850	K	A	0.1011
851	V	A	0.9168
852	K	A	-0.9617
853	M	A	-0.9001
854	E	A	-3.1279
855	R	A	-3.9236
856	E	A	-4.0597
857	R	A	-3.4949
858	N	A	-1.7596
859	C	A	-0.3278
860	Y	A	0.9046
861	Y	A	1.0912
862	L	A	0.0000
863	N	A	-0.8740
864	W	A	-0.9818
865	N	A	-1.3721
866	G	A	-0.8004
867	A	A	-0.3537
868	N	A	0.0000
869	W	A	0.0000
870	V	A	-0.2164
871	G	A	0.0000
872	Q	A	0.0391
873	V	A	0.4330
874	Y	A	0.6784
875	S	A	-1.0548
876	R	A	-2.0156
877	L	A	-0.9901
878	A	A	-1.3610
879	V	A	-0.0780
880	D	A	-1.8570
881	G	A	-1.6997
882	G	A	-2.5889
883	K	A	-3.8038
884	K	A	-4.3138
885	K	A	-4.5305
886	K	A	-4.7898
887	K	A	-4.8072
888	K	A	-4.7306
889	E	A	-4.6390
890	E	A	-4.2646
891	H	A	-3.4964
892	H	A	-3.0861
893	H	A	-2.8526
894	H	A	-2.6206
895	H	A	-2.3550
896	H	A	-1.8579

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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
IR717A	-1.1176	-0.0093	View	CSV	PDB
VR837A	-0.9476	-0.0086	View	CSV	PDB
VK837A	-0.968	-0.0083	View	CSV	PDB
IK717A	-0.6946	-0.0082	View	CSV	PDB
IK848A	-0.1889	-0.0101	View	CSV	PDB
IE848A	-0.2936	-0.0081	View	CSV	PDB
LK838A	0.0349	-0.0097	View	CSV	PDB
IK849A	0.1409	-0.01	View	CSV	PDB
IR849A	0.1517	-0.0102	View	CSV	PDB
LR838A	0.4506	-0.0103	View	CSV	PDB
VE836A	0.4311	-0.0075	View	CSV	PDB
VR836A	0.0766	-0.001	View	CSV	PDB

Project name: 143-311-0

Status: done

Started: 2025-06-03 01:51:22

Automated mutations analysis

Mutant

Energetic effect

Score comparison