Aggrescan3D: Mut_28_660_TSA1

Project name: Mut_28_660_TSA1_C2

Status: done

Started: 2025-02-12 23:03:52

Settings

Chain sequence(s)	A: MAVERNSGDLQLPQEIAMLVPNKTQVVPKSGGEGKVKDIFASPALVRAGGVMIAFVEGRTKNKLFPEVIDLSSSDIVAGYIKAPETWQSLVAEVTKEYWQAHTVLESANNSNHRVGVARLPTGITRGNKVFLLVGSYEERREIDDYIWKAEAWNIKVIEGEATQSTEVQPTQPINWSEPKPLFQTDSPNNKGDLKEFLGGGGSGIVMGNGTLVFPLTAKDESNKVFSLITYSTDDGQKWEIPGGVSSVACRSPRVTEWEEGTLLMVTYCEDGRKVFESRDMGKTWTEARGTLPGVWLKSGPELPEVSLRVDALITATIEGRKVMLYTQKVRHFLEVDEPNALHLWVTDNNRTFHLGPFSVDSAENKTFANTLLYSDDALHLLQAKGDHESTAVSLARLTEELNTINSVLSTWVQLDASFSESSIPTAGLVGFLSNTTSSGDTWIDGYRSMNATVTKAAKVENGFKFTGPGSRATWPVNSRWDIKQYGFVDYNFTIVAMATIHQVPSESTPLLGASLRGNKRTKLIGLSYGAGGKWETVYDGTKTVQGGTWEPGREYQVALMLQDGNKGFVYVDGRLVGNPAMLPTPEERWTEFSHFYFGGDEGDSGSDATLTDVFLYNRPLSEGELKMIKEVED 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                                          (00:08:39)
[INFO]       Auto_mut: Residue number 333 from chain A and a score of 1.661 (phenylalanine)        
                       selected for automated muatation                                            (00:08:43)
[INFO]       Auto_mut: Residue number 334 from chain A and a score of 1.348 (leucine) selected for 
                       automated muatation                                                         (00:08:43)
[INFO]       Auto_mut: Residue number 1 from chain A and a score of 1.229 omitted from automated   
                       muatation (excluded by the user).                                           (00:08:43)
[INFO]       Auto_mut: Residue number 360 from chain A and a score of 1.076 (valine) selected for  
                       automated muatation                                                         (00:08:43)
[INFO]       Auto_mut: Residue number 306 from chain A and a score of 0.939 (valine) selected for  
                       automated muatation                                                         (00:08:43)
[INFO]       Auto_mut: Residue number 146 from chain A and a score of 0.810 (tyrosine) selected    
                       for automated muatation                                                     (00:08:43)
[INFO]       Auto_mut: Residue number 143 from chain A and a score of 0.741 (isoleucine) selected  
                       for automated muatation                                                     (00:08:43)
[INFO]       Auto_mut: Mutating residue number 334 from chain A (leucine) into glutamic acid       (00:08:43)
[INFO]       Auto_mut: Mutating residue number 333 from chain A (phenylalanine) into glutamic acid 
                       Mutating residue number 333 from chain A (phenylalanine) into glutamic acid (00:08:43)
[INFO]       Auto_mut: Mutating residue number 333 from chain A (phenylalanine) into aspartic acid 
                       Mutating residue number 333 from chain A (phenylalanine) into aspartic acid (00:08:43)
[INFO]       Auto_mut: Mutating residue number 333 from chain A (phenylalanine) into arginine      (00:12:03)
[INFO]       Auto_mut: Mutating residue number 334 from chain A (leucine) into lysine              (00:12:12)
[INFO]       Auto_mut: Mutating residue number 333 from chain A (phenylalanine) into lysine        (00:12:12)
[INFO]       Auto_mut: Mutating residue number 334 from chain A (leucine) into aspartic acid       (00:15:26)
[INFO]       Auto_mut: Mutating residue number 360 from chain A (valine) into glutamic acid        (00:15:49)
[INFO]       Auto_mut: Mutating residue number 360 from chain A (valine) into aspartic acid        (00:15:54)
[INFO]       Auto_mut: Mutating residue number 334 from chain A (leucine) into arginine            (00:18:47)
[INFO]       Auto_mut: Mutating residue number 360 from chain A (valine) into lysine               (00:19:17)
[INFO]       Auto_mut: Mutating residue number 360 from chain A (valine) into arginine             (00:19:31)
[INFO]       Auto_mut: Mutating residue number 306 from chain A (valine) into glutamic acid        (00:22:24)
[INFO]       Auto_mut: Mutating residue number 306 from chain A (valine) into aspartic acid        (00:22:46)
[INFO]       Auto_mut: Mutating residue number 146 from chain A (tyrosine) into glutamic acid      (00:23:05)
[INFO]       Auto_mut: Mutating residue number 306 from chain A (valine) into lysine               (00:25:40)
[INFO]       Auto_mut: Mutating residue number 306 from chain A (valine) into arginine             (00:26:10)
[INFO]       Auto_mut: Mutating residue number 146 from chain A (tyrosine) into lysine             (00:26:31)
[INFO]       Auto_mut: Mutating residue number 146 from chain A (tyrosine) into aspartic acid      (00:29:03)
[INFO]       Auto_mut: Mutating residue number 143 from chain A (isoleucine) into glutamic acid    (00:29:28)
[INFO]       Auto_mut: Mutating residue number 143 from chain A (isoleucine) into aspartic acid    (00:29:54)
[INFO]       Auto_mut: Mutating residue number 146 from chain A (tyrosine) into arginine           (00:32:13)
[INFO]       Auto_mut: Mutating residue number 143 from chain A (isoleucine) into lysine           (00:32:50)
[INFO]       Auto_mut: Mutating residue number 143 from chain A (isoleucine) into arginine         (00:33:09)
[INFO]       Auto_mut: Effect of mutation residue number 333 from chain A (phenylalanine) into     
                       glutamic acid: Energy difference: 0.8235 kcal/mol, Difference in average    
                       score from the base case: -0.0177                                           (00:36:34)
[INFO]       Auto_mut: Effect of mutation residue number 333 from chain A (phenylalanine) into     
                       lysine: Energy difference: -0.1758 kcal/mol, Difference in average score    
                       from the base case: -0.0139                                                 (00:36:34)
[INFO]       Auto_mut: Effect of mutation residue number 333 from chain A (phenylalanine) into     
                       aspartic acid: Energy difference: 0.4071 kcal/mol, Difference in average    
                       score from the base case: -0.0180                                           (00:36:34)
[INFO]       Auto_mut: Effect of mutation residue number 333 from chain A (phenylalanine) into     
                       arginine: Energy difference: -0.9505 kcal/mol, Difference in average score  
                       from the base case: -0.0167                                                 (00:36:34)
[INFO]       Auto_mut: Effect of mutation residue number 334 from chain A (leucine) into glutamic  
                       acid: Energy difference: 0.2653 kcal/mol, Difference in average score from  
                       the base case: -0.0155                                                      (00:36:34)
[INFO]       Auto_mut: Effect of mutation residue number 334 from chain A (leucine) into lysine:   
                       Energy difference: 0.0382 kcal/mol, Difference in average score from the    
                       base case: -0.0144                                                          (00:36:34)
[INFO]       Auto_mut: Effect of mutation residue number 334 from chain A (leucine) into aspartic  
                       acid: Energy difference: 0.4865 kcal/mol, Difference in average score from  
                       the base case: -0.0154                                                      (00:36:34)
[INFO]       Auto_mut: Effect of mutation residue number 334 from chain A (leucine) into arginine: 
                       Energy difference: 0.0438 kcal/mol, Difference in average score from the    
                       base case: -0.0150                                                          (00:36:34)
[INFO]       Auto_mut: Effect of mutation residue number 360 from chain A (valine) into glutamic   
                       acid: Energy difference: 1.2153 kcal/mol, Difference in average score from  
                       the base case: -0.0141                                                      (00:36:34)
[INFO]       Auto_mut: Effect of mutation residue number 360 from chain A (valine) into lysine:    
                       Energy difference: -0.1271 kcal/mol, Difference in average score from the   
                       base case: -0.0113                                                          (00:36:34)
[INFO]       Auto_mut: Effect of mutation residue number 360 from chain A (valine) into aspartic   
                       acid: Energy difference: 2.0004 kcal/mol, Difference in average score from  
                       the base case: -0.0136                                                      (00:36:34)
[INFO]       Auto_mut: Effect of mutation residue number 360 from chain A (valine) into arginine:  
                       Energy difference: -0.0671 kcal/mol, Difference in average score from the   
                       base case: -0.0130                                                          (00:36:34)
[INFO]       Auto_mut: Effect of mutation residue number 306 from chain A (valine) into glutamic   
                       acid: Energy difference: -0.7841 kcal/mol, Difference in average score from 
                       the base case: -0.0111                                                      (00:36:34)
[INFO]       Auto_mut: Effect of mutation residue number 306 from chain A (valine) into lysine:    
                       Energy difference: -0.2397 kcal/mol, Difference in average score from the   
                       base case: -0.0130                                                          (00:36:34)
[INFO]       Auto_mut: Effect of mutation residue number 306 from chain A (valine) into aspartic   
                       acid: Energy difference: -0.5066 kcal/mol, Difference in average score from 
                       the base case: -0.0019                                                      (00:36:34)
[INFO]       Auto_mut: Effect of mutation residue number 306 from chain A (valine) into arginine:  
                       Energy difference: -0.3115 kcal/mol, Difference in average score from the   
                       base case: -0.0136                                                          (00:36:34)
[INFO]       Auto_mut: Effect of mutation residue number 146 from chain A (tyrosine) into glutamic 
                       acid: Energy difference: -0.0693 kcal/mol, Difference in average score from 
                       the base case: -0.0125                                                      (00:36:34)
[INFO]       Auto_mut: Effect of mutation residue number 146 from chain A (tyrosine) into lysine:  
                       Energy difference: -0.0527 kcal/mol, Difference in average score from the   
                       base case: -0.0116                                                          (00:36:34)
[INFO]       Auto_mut: Effect of mutation residue number 146 from chain A (tyrosine) into aspartic 
                       acid: Energy difference: -0.6480 kcal/mol, Difference in average score from 
                       the base case: -0.0068                                                      (00:36:34)
[INFO]       Auto_mut: Effect of mutation residue number 146 from chain A (tyrosine) into          
                       arginine: Energy difference: 0.0295 kcal/mol, Difference in average score   
                       from the base case: -0.0120                                                 (00:36:34)
[INFO]       Auto_mut: Effect of mutation residue number 143 from chain A (isoleucine) into        
                       glutamic acid: Energy difference: -0.1138 kcal/mol, Difference in average   
                       score from the base case: -0.0116                                           (00:36:34)
[INFO]       Auto_mut: Effect of mutation residue number 143 from chain A (isoleucine) into        
                       lysine: Energy difference: -0.2130 kcal/mol, Difference in average score    
                       from the base case: -0.0173                                                 (00:36:34)
[INFO]       Auto_mut: Effect of mutation residue number 143 from chain A (isoleucine) into        
                       aspartic acid: Energy difference: -0.0973 kcal/mol, Difference in average   
                       score from the base case: -0.0186                                           (00:36:34)
[INFO]       Auto_mut: Effect of mutation residue number 143 from chain A (isoleucine) into        
                       arginine: Energy difference: -0.2023 kcal/mol, Difference in average score  
                       from the base case: -0.0179                                                 (00:36:35)
[INFO]       Main:     Simulation completed successfully.                                          (00:36:48)

Note Your prediction results will be deleted after 360 days.

Drag cursor over the plot to display residue labels.

Show buried residues

Minimal score value: -3.6051
Maximal score value: 1.661
Average score: -0.7883
Total score value: -499.8101

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	1.2290
2	A	A	0.4753
3	V	A	0.2946
4	E	A	-2.3979
5	R	A	-3.0738
6	N	A	-3.0384
7	S	A	-2.3866
8	G	A	-2.3613
9	D	A	-2.1773
10	L	A	-1.2032
11	Q	A	-1.3701
12	L	A	-0.1838
13	P	A	-0.8660
14	Q	A	-1.6136
15	E	A	-1.9241
16	I	A	0.0000
17	A	A	-0.2642
18	M	A	0.0000
19	L	A	0.0000
20	V	A	-0.2529
21	P	A	-1.0833
22	N	A	-1.8880
23	K	A	-2.2221
24	T	A	0.0000
25	Q	A	-1.7407
26	V	A	0.0000
27	V	A	-1.3590
28	P	A	-1.8049
29	K	A	-1.7724
30	S	A	-1.2721
31	G	A	-1.5749
32	G	A	-2.0347
33	E	A	-2.5715
34	G	A	-2.1699
35	K	A	-2.2377
36	V	A	-1.0566
37	K	A	0.0000
38	D	A	-1.1899
39	I	A	0.0000
40	F	A	0.0000
41	A	A	-0.1409
42	S	A	-0.0133
43	P	A	0.0000
44	A	A	0.0000
45	L	A	0.0000
46	V	A	0.0000
47	R	A	-0.7584
48	A	A	0.0000
49	G	A	-1.6156
50	G	A	-1.6267
51	V	A	0.0000
52	M	A	0.0000
53	I	A	0.0000
54	A	A	0.0000
55	F	A	0.0000
56	V	A	0.0000
57	E	A	0.0000
58	G	A	0.0000
59	R	A	-0.6953
60	T	A	-0.7782
61	K	A	-1.3674
62	N	A	-1.6278
63	K	A	-1.8953
64	L	A	-0.7092
65	F	A	-0.7206
66	P	A	-0.9946
67	E	A	-1.3667
68	V	A	-0.0737
69	I	A	0.3001
70	D	A	-1.4360
71	L	A	0.0000
72	S	A	0.0000
73	S	A	0.0000
74	S	A	0.0000
75	D	A	-0.6886
76	I	A	0.0000
77	V	A	0.0000
78	A	A	0.0000
79	G	A	0.0000
80	Y	A	0.0000
81	I	A	0.0000
82	K	A	-1.3887
83	A	A	-1.2008
84	P	A	-1.5766
85	E	A	-2.7383
86	T	A	-1.3372
87	W	A	-1.2501
88	Q	A	-1.3536
89	S	A	-1.1219
90	L	A	0.0000
91	V	A	-0.5119
92	A	A	-0.5073
93	E	A	-0.9279
94	V	A	0.0000
95	T	A	-0.8763
96	K	A	-1.6769
97	E	A	-1.9611
98	Y	A	-0.5688
99	W	A	-0.7690
100	Q	A	-1.0183
101	A	A	0.0000
102	H	A	0.0000
103	T	A	0.0000
104	V	A	0.0000
105	L	A	0.0000
106	E	A	-1.3680
107	S	A	-1.0859
108	A	A	-1.2037
109	N	A	-2.3334
110	N	A	-2.5184
111	S	A	-2.0976
112	N	A	-2.2529
113	H	A	-1.6565
114	R	A	-2.3108
115	V	A	0.0000
116	G	A	0.0000
117	V	A	0.0000
118	A	A	0.0000
119	R	A	-0.6146
120	L	A	-0.1216
121	P	A	0.0000
122	T	A	0.0000
123	G	A	0.0000
124	I	A	0.0000
125	T	A	-0.7678
126	R	A	-1.2355
127	G	A	-1.3749
128	N	A	-1.6611
129	K	A	-1.8876
130	V	A	0.0000
131	F	A	0.0000
132	L	A	0.0000
133	L	A	0.0000
134	V	A	0.0000
135	G	A	0.0000
136	S	A	-0.4335
137	Y	A	-0.4080
138	E	A	-1.2028
139	E	A	-1.3217
140	R	A	-1.4254
141	R	A	-0.8128
142	E	A	-0.5964
143	I	A	0.7409
144	D	A	-1.3686
145	D	A	-1.2535
146	Y	A	0.8102
147	I	A	0.7360
148	W	A	-0.0512
149	K	A	-1.0193
150	A	A	-0.8591
151	E	A	-0.9374
152	A	A	-0.3163
153	W	A	-0.3890
154	N	A	-0.6938
155	I	A	0.0000
156	K	A	-0.9847
157	V	A	0.0000
158	I	A	0.0000
159	E	A	-1.9833
160	G	A	0.0000
161	E	A	-2.2773
162	A	A	0.0000
163	T	A	-1.7228
164	Q	A	-1.7961
165	S	A	-1.1697
166	T	A	-0.9790
167	E	A	-1.5989
168	V	A	0.1941
169	Q	A	-1.2288
170	P	A	-1.1322
171	T	A	-0.7325
172	Q	A	-1.3366
173	P	A	0.0000
174	I	A	0.0000
175	N	A	-1.9110
176	W	A	-1.7200
177	S	A	-1.7288
178	E	A	-2.2109
179	P	A	-1.5164
180	K	A	-1.6583
181	P	A	-1.3235
182	L	A	0.0000
183	F	A	-1.4364
184	Q	A	-1.9171
185	T	A	-1.7032
186	D	A	-2.2042
187	S	A	-2.2176
188	P	A	-2.0492
189	N	A	-2.7743
190	N	A	-2.7651
191	K	A	-3.1446
192	G	A	-2.9215
193	D	A	-3.3651
194	L	A	-2.4728
195	K	A	-2.1520
196	E	A	-1.1218
197	F	A	0.0000
198	L	A	-0.2035
199	G	A	0.0000
200	G	A	0.0000
201	G	A	0.0000
202	G	A	0.0000
203	S	A	0.1613
204	G	A	0.0000
205	I	A	0.4570
206	V	A	0.3558
207	M	A	0.0000
208	G	A	-1.5565
209	N	A	-1.7433
210	G	A	-0.9528
211	T	A	0.0000
212	L	A	0.0000
213	V	A	0.0000
214	F	A	0.0000
215	P	A	0.0000
216	L	A	0.0000
217	T	A	-0.3971
218	A	A	0.0000
219	K	A	-2.0570
220	D	A	-2.7490
221	E	A	-3.4001
222	S	A	-2.3314
223	N	A	-2.7775
224	K	A	-1.8642
225	V	A	-1.1056
226	F	A	-0.1568
227	S	A	0.0000
228	L	A	0.0000
229	I	A	0.0000
230	T	A	0.0000
231	Y	A	-0.4765
232	S	A	0.0000
233	T	A	-1.3180
234	D	A	-1.5285
235	D	A	-1.8185
236	G	A	0.0000
237	Q	A	-2.4985
238	K	A	-2.9048
239	W	A	-1.8741
240	E	A	-1.7206
241	I	A	-0.8782
242	P	A	-1.1949
243	G	A	-1.4430
244	G	A	0.0000
245	V	A	0.5742
246	S	A	0.0000
247	S	A	-0.0099
248	V	A	0.5522
249	A	A	-0.9296
250	C	A	0.0000
251	R	A	-1.6771
252	S	A	-0.7193
253	P	A	0.0000
254	R	A	0.0000
255	V	A	0.0000
256	T	A	0.0000
257	E	A	-0.9038
258	W	A	0.0000
259	E	A	-2.7963
260	E	A	-3.1806
261	G	A	-2.4626
262	T	A	0.0000
263	L	A	0.0000
264	L	A	0.0000
265	M	A	0.0000
266	V	A	0.0000
267	T	A	0.0000
268	Y	A	-1.0665
269	C	A	0.0000
270	E	A	-3.0356
271	D	A	-3.2366
272	G	A	0.0000
273	R	A	0.0000
274	K	A	-1.6117
275	V	A	0.0000
276	F	A	0.0000
277	E	A	-1.3967
278	S	A	0.0000
279	R	A	-2.9949
280	D	A	-2.2745
281	M	A	-1.2925
282	G	A	0.0000
283	K	A	-2.1944
284	T	A	-1.3486
285	W	A	-1.0627
286	T	A	-1.3591
287	E	A	-2.2966
288	A	A	-1.8688
289	R	A	-2.4386
290	G	A	-1.4246
291	T	A	-1.1217
292	L	A	0.0000
293	P	A	0.0000
294	G	A	0.0000
295	V	A	0.0000
296	W	A	-0.6173
297	L	A	0.0000
298	K	A	-2.1732
299	S	A	-2.2010
300	G	A	-1.6331
301	P	A	-1.4917
302	E	A	-1.7229
303	L	A	-1.0632
304	P	A	-1.3417
305	E	A	-0.7922
306	V	A	0.9389
307	S	A	0.2640
308	L	A	0.0000
309	R	A	-0.1989
310	V	A	0.0000
311	D	A	0.0000
312	A	A	0.0000
313	L	A	0.0000
314	I	A	0.2811
315	T	A	-0.0862
316	A	A	0.0000
317	T	A	-1.3520
318	I	A	0.0000
319	E	A	-2.5249
320	G	A	-1.7883
321	R	A	-1.6082
322	K	A	-1.6953
323	V	A	0.0000
324	M	A	0.0000
325	L	A	0.0000
326	Y	A	0.0000
327	T	A	0.0000
328	Q	A	0.0000
329	K	A	0.0000
330	V	A	0.0000
331	R	A	-0.0247
332	H	A	0.3287
333	F	A	1.6610
334	L	A	1.3476
335	E	A	-0.3284
336	V	A	0.4345
337	D	A	-1.2465
338	E	A	-0.6117
339	P	A	-0.3885
340	N	A	-0.1297
341	A	A	0.0000
342	L	A	0.0000
343	H	A	0.0000
344	L	A	0.0000
345	W	A	0.0000
346	V	A	0.0000
347	T	A	0.0000
348	D	A	-0.7320
349	N	A	-0.7350
350	N	A	-0.8286
351	R	A	0.0000
352	T	A	0.0000
353	F	A	-0.0564
354	H	A	-0.1805
355	L	A	0.0202
356	G	A	0.1853
357	P	A	0.3842
358	F	A	0.0000
359	S	A	0.5620
360	V	A	1.0764
361	D	A	0.0000
362	S	A	-0.9118
363	A	A	-1.3605
364	E	A	-2.7168
365	N	A	-2.1296
366	K	A	-1.6335
367	T	A	0.0000
368	F	A	-0.0294
369	A	A	-0.0435
370	N	A	0.0000
371	T	A	0.0000
372	L	A	0.0000
373	L	A	0.0452
374	Y	A	-0.5292
375	S	A	-1.5678
376	D	A	-2.9333
377	D	A	-3.0223
378	A	A	0.0000
379	L	A	0.0000
380	H	A	0.0000
381	L	A	0.0000
382	L	A	0.0000
383	Q	A	-0.4783
384	A	A	0.0000
385	K	A	-1.4704
386	G	A	0.0000
387	D	A	-2.8308
388	H	A	-2.6257
389	E	A	-2.6476
390	S	A	-2.0806
391	T	A	0.0000
392	A	A	-0.5279
393	V	A	0.0000
394	S	A	0.0000
395	L	A	0.0000
396	A	A	0.0000
397	R	A	-1.0658
398	L	A	0.0000
399	T	A	-1.6017
400	E	A	-2.3762
401	E	A	0.0000
402	L	A	0.0000
403	N	A	-2.0918
404	T	A	-1.2857
405	I	A	0.0000
406	N	A	-1.5194
407	S	A	-0.9355
408	V	A	0.0000
409	L	A	0.0000
410	S	A	-0.6922
411	T	A	-0.3475
412	W	A	0.0000
413	V	A	0.1196
414	Q	A	-0.7144
415	L	A	-0.4149
416	D	A	-0.5064
417	A	A	-0.7799
418	S	A	-0.9702
419	F	A	0.0000
420	S	A	-1.3818
421	E	A	-1.9680
422	S	A	-1.3709
423	S	A	-0.9807
424	I	A	0.0000
425	P	A	-0.3920
426	T	A	-0.1368
427	A	A	-0.2006
428	G	A	-0.4039
429	L	A	0.0000
430	V	A	0.0000
431	G	A	0.0000
432	F	A	0.0000
433	L	A	0.0000
434	S	A	-1.3516
435	N	A	-2.0911
436	T	A	0.0000
437	T	A	-0.9141
438	S	A	-0.8971
439	S	A	-0.9445
440	G	A	-1.6356
441	D	A	-1.7955
442	T	A	-1.0511
443	W	A	0.0000
444	I	A	-0.6915
445	D	A	0.0000
446	G	A	-0.5480
447	Y	A	0.0000
448	R	A	-0.8521
449	S	A	0.0000
450	M	A	-0.2406
451	N	A	-0.5558
452	A	A	0.0000
453	T	A	-0.2214
454	V	A	0.0000
455	T	A	-1.3510
456	K	A	-2.3168
457	A	A	-1.6984
458	A	A	-1.4163
459	K	A	-2.7141
460	V	A	-1.8897
461	E	A	-2.7504
462	N	A	-2.3570
463	G	A	0.0000
464	F	A	0.0000
465	K	A	-1.3546
466	F	A	0.0000
467	T	A	-0.8751
468	G	A	-0.9082
469	P	A	-1.5440
470	G	A	-1.7962
471	S	A	0.0000
472	R	A	-1.4275
473	A	A	0.0000
474	T	A	-0.2272
475	W	A	0.0000
476	P	A	-0.4302
477	V	A	0.0000
478	N	A	0.0000
479	S	A	-1.0618
480	R	A	-0.7233
481	W	A	0.0363
482	D	A	0.0000
483	I	A	0.0000
484	K	A	-0.3783
485	Q	A	0.0000
486	Y	A	0.0000
487	G	A	-0.4416
488	F	A	0.0000
489	V	A	0.0000
490	D	A	0.0000
491	Y	A	-1.0490
492	N	A	-1.2280
493	F	A	0.0000
494	T	A	0.0000
495	I	A	0.0000
496	V	A	0.0000
497	A	A	0.0000
498	M	A	-0.5122
499	A	A	0.0000
500	T	A	-1.9782
501	I	A	0.0000
502	H	A	-1.6781
503	Q	A	-0.9457
504	V	A	0.3840
505	P	A	0.0000
506	S	A	-1.0059
507	E	A	-1.8913
508	S	A	-1.2018
509	T	A	0.0000
510	P	A	-0.5150
511	L	A	0.0000
512	L	A	0.0000
513	G	A	0.0000
514	A	A	0.0000
515	S	A	0.0000
516	L	A	0.0000
517	R	A	-2.1869
518	G	A	-2.4460
519	N	A	-2.9186
520	K	A	-3.4980
521	R	A	-3.5106
522	T	A	-2.5340
523	K	A	-1.8011
524	L	A	0.0000
525	I	A	0.0000
526	G	A	0.0000
527	L	A	0.0000
528	S	A	0.0000
529	Y	A	0.0000
530	G	A	0.0000
531	A	A	-0.6231
532	G	A	-0.6655
533	G	A	-1.0435
534	K	A	-1.4848
535	W	A	0.0000
536	E	A	-0.5111
537	T	A	0.0000
538	V	A	0.0000
539	Y	A	-0.9281
540	D	A	-1.6574
541	G	A	-1.9549
542	T	A	-1.5395
543	K	A	-1.6570
544	T	A	-0.3111
545	V	A	0.4805
546	Q	A	-0.5166
547	G	A	-0.7398
548	G	A	-0.8346
549	T	A	-1.2762
550	W	A	0.0000
551	E	A	-2.9315
552	P	A	-2.2031
553	G	A	-2.6894
554	R	A	-3.6051
555	E	A	-3.1977
556	Y	A	0.0000
557	Q	A	0.0000
558	V	A	0.0000
559	A	A	0.0000
560	L	A	0.0000
561	M	A	0.0000
562	L	A	0.0000
563	Q	A	-1.6113
564	D	A	-2.2904
565	G	A	0.0000
566	N	A	-1.1018
567	K	A	-0.9678
568	G	A	0.0000
569	F	A	-0.0299
570	V	A	0.0000
571	Y	A	0.0000
572	V	A	0.0000
573	D	A	-1.4372
574	G	A	0.0000
575	R	A	-2.2311
576	L	A	-0.9230
577	V	A	0.0000
578	G	A	-0.9490
579	N	A	-1.2332
580	P	A	-0.4625
581	A	A	-0.1311
582	M	A	0.4585
583	L	A	0.0000
584	P	A	-0.9507
585	T	A	-1.4900
586	P	A	-1.3320
587	E	A	-2.4608
588	E	A	-2.4932
589	R	A	-1.1813
590	W	A	-0.3175
591	T	A	-0.7247
592	E	A	-0.8473
593	F	A	0.0000
594	S	A	0.0000
595	H	A	-0.5426
596	F	A	0.0000
597	Y	A	-0.2108
598	F	A	0.0000
599	G	A	0.0000
600	G	A	0.0000
601	D	A	-2.0450
602	E	A	-2.6507
603	G	A	-1.8278
604	D	A	-1.8226
605	S	A	-1.2801
606	G	A	-0.7891
607	S	A	0.0000
608	D	A	0.0000
609	A	A	0.0000
610	T	A	-0.6953
611	L	A	0.0000
612	T	A	-0.9186
613	D	A	-0.9994
614	V	A	0.0000
615	F	A	0.0000
616	L	A	0.0000
617	Y	A	0.0000
618	N	A	-0.6647
619	R	A	-0.9347
620	P	A	-0.9854
621	L	A	0.0000
622	S	A	-1.4130
623	E	A	-2.6100
624	G	A	-1.9555
625	E	A	-1.4553
626	L	A	0.0000
627	K	A	-2.4199
628	M	A	-1.2552
629	I	A	0.0000
630	K	A	-2.0857
631	E	A	-2.7138
632	V	A	-1.6794
633	E	A	-2.8425
634	D	A	-2.9140

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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
FR333A	-0.9505	-0.0167	View	CSV	PDB
VE306A	-0.7841	-0.0111	View	CSV	PDB
IR143A	-0.2023	-0.0179	View	CSV	PDB
IK143A	-0.213	-0.0173	View	CSV	PDB
VR306A	-0.3115	-0.0136	View	CSV	PDB
FK333A	-0.1758	-0.0139	View	CSV	PDB
YD146A	-0.648	-0.0068	View	CSV	PDB
VR360A	-0.0671	-0.013	View	CSV	PDB
YE146A	-0.0693	-0.0125	View	CSV	PDB
VK360A	-0.1271	-0.0113	View	CSV	PDB
LK334A	0.0382	-0.0144	View	CSV	PDB
LR334A	0.0438	-0.015	View	CSV	PDB

Project name: Mut_28_660_TSA1_C2

Status: done

Started: 2025-02-12 23:03:52

Automated mutations analysis

Mutant

Energetic effect

Score comparison