Aggrescan3D: hACSL3

Project name: hACSL3_FL

Status: done

Started: 2025-11-19 10:00:11

Settings

Chain sequence(s)	A: MNNHVSSKPSTMKLKHTINPILLYFIHFLISLYTILTYIPFYFFSESRQEKSNRIKAKPVNSKPDSAYRSVNSLDGLASVLYPGCDTLDKVFTYAKNKFKNKRLLGTREVLNEEDEVQPNGKIFKKVILGQYNWLSYEDVFVRAFNFGNGLQMLGQKPKTNIAIFCETRAEWMIAAQACFMYNFQLVTLYATLGGPAIVHALNETEVTNIITSKELLQTKLKDIVSLVPRLRHIITVDGKPPTWSEFPKGIIVHTMAAVEALGAKASMENQPHSKPLPSDIAVIMYTSGSTGLPKGVMISHSNIIAGITGMAERIPELGEEDVYIGYLPLAHVLELSAELVCLSHGCRIGYSSPQTLADQSSKIKKGSKGDTSMLKPTLMAAVPEIMDRIYKNVMNKVSEMSSFQRNLFILAYNYKMEQISKGRNTPLCDSFVFRKVRSLLGGNIRLLLCGGAPLSATTQRFMNICFCCPVGQGYGLTESAGAGTISEVWDYNTGRVGAPLVCCEIKLKNWEEGGYFNTDKPHPRGEILIGGQSVTMGYYKNEAKTKADFFEDENGQRWLCTGDIGEFEPDGCLKIIDRKKDLVKLQAGEYVSLGKVEAALKNLPLVDNICAYANSYHSYVIGFVVPNQKELTELARKKGLKGTWEELCNSCEMENEVLKVLSEAAISASLEKFEIPVKIRLSPEPWTPETGLVTDAFKLKRKELKTHYQADIERMYGRK 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                                          (00:18:04)
[INFO]       Auto_mut: Residue number 25 from chain A and a score of 4.190 (phenylalanine)         
                       selected for automated muatation                                            (00:18:14)
[INFO]       Auto_mut: Residue number 39 from chain A and a score of 3.905 (isoleucine) selected   
                       for automated muatation                                                     (00:18:14)
[INFO]       Auto_mut: Residue number 43 from chain A and a score of 3.785 (phenylalanine)         
                       selected for automated muatation                                            (00:18:14)
[INFO]       Auto_mut: Residue number 24 from chain A and a score of 3.554 (tyrosine) selected for 
                       automated muatation                                                         (00:18:14)
[INFO]       Auto_mut: Residue number 35 from chain A and a score of 3.342 (isoleucine) selected   
                       for automated muatation                                                     (00:18:14)
[INFO]       Auto_mut: Residue number 42 from chain A and a score of 3.279 (tyrosine) selected for 
                       automated muatation                                                         (00:18:14)
[INFO]       Auto_mut: Mutating residue number 39 from chain A (isoleucine) into glutamic acid     (00:18:14)
[INFO]       Auto_mut: Mutating residue number 25 from chain A (phenylalanine) into glutamic acid  
                       Mutating residue number 25 from chain A (phenylalanine) into glutamic acid  (00:18:14)
[INFO]       Auto_mut: Mutating residue number 25 from chain A (phenylalanine) into aspartic acid  
                       Mutating residue number 25 from chain A (phenylalanine) into aspartic acid  (00:18:14)
[INFO]       Auto_mut: Mutating residue number 25 from chain A (phenylalanine) into lysine         (00:26:49)
[INFO]       Auto_mut: Mutating residue number 39 from chain A (isoleucine) into lysine            (00:27:10)
[INFO]       Auto_mut: Mutating residue number 25 from chain A (phenylalanine) into arginine       (00:27:29)
[INFO]       Auto_mut: Mutating residue number 39 from chain A (isoleucine) into aspartic acid     (00:37:50)
[INFO]       Auto_mut: Mutating residue number 43 from chain A (phenylalanine) into glutamic acid  
                       Mutating residue number 43 from chain A (phenylalanine) into glutamic acid  (00:38:05)
[INFO]       Auto_mut: Mutating residue number 43 from chain A (phenylalanine) into aspartic acid  
                       Mutating residue number 43 from chain A (phenylalanine) into aspartic acid  (00:38:16)
[INFO]       Auto_mut: Mutating residue number 43 from chain A (phenylalanine) into lysine         (00:48:08)
[INFO]       Auto_mut: Mutating residue number 39 from chain A (isoleucine) into arginine          (00:48:18)
[INFO]       Auto_mut: Mutating residue number 43 from chain A (phenylalanine) into arginine       (00:48:41)
[INFO]       Auto_mut: Mutating residue number 24 from chain A (tyrosine) into glutamic acid       (00:57:08)
[INFO]       Auto_mut: Mutating residue number 24 from chain A (tyrosine) into aspartic acid       (00:57:29)
[INFO]       Auto_mut: Mutating residue number 35 from chain A (isoleucine) into glutamic acid     (00:57:33)
[INFO]       Auto_mut: Mutating residue number 24 from chain A (tyrosine) into arginine            (01:06:10)
[INFO]       Auto_mut: Mutating residue number 24 from chain A (tyrosine) into lysine              (01:06:59)
[INFO]       Auto_mut: Mutating residue number 35 from chain A (isoleucine) into lysine            (01:07:13)
[INFO]       Auto_mut: Mutating residue number 35 from chain A (isoleucine) into aspartic acid     (01:16:04)
[INFO]       Auto_mut: Mutating residue number 42 from chain A (tyrosine) into glutamic acid       (01:16:51)
[INFO]       Auto_mut: Mutating residue number 42 from chain A (tyrosine) into aspartic acid       (01:17:38)
[INFO]       Auto_mut: Mutating residue number 42 from chain A (tyrosine) into lysine              (01:25:21)
[INFO]       Auto_mut: Mutating residue number 35 from chain A (isoleucine) into arginine          (01:25:31)
[INFO]       Auto_mut: Mutating residue number 42 from chain A (tyrosine) into arginine            (01:26:45)
[INFO]       Auto_mut: Effect of mutation residue number 25 from chain A (phenylalanine) into      
                       glutamic acid: Energy difference: 0.8749 kcal/mol, Difference in average    
                       score from the base case: -0.0117                                           (01:35:50)
[INFO]       Auto_mut: Effect of mutation residue number 25 from chain A (phenylalanine) into      
                       lysine: Energy difference: 0.4585 kcal/mol, Difference in average score     
                       from the base case: -0.0125                                                 (01:35:50)
[INFO]       Auto_mut: Effect of mutation residue number 25 from chain A (phenylalanine) into      
                       aspartic acid: Energy difference: 1.3670 kcal/mol, Difference in average    
                       score from the base case: -0.0100                                           (01:35:50)
[INFO]       Auto_mut: Effect of mutation residue number 25 from chain A (phenylalanine) into      
                       arginine: Energy difference: 0.8104 kcal/mol, Difference in average score   
                       from the base case: -0.0182                                                 (01:35:50)
[INFO]       Auto_mut: Effect of mutation residue number 39 from chain A (isoleucine) into         
                       glutamic acid: Energy difference: 0.3527 kcal/mol, Difference in average    
                       score from the base case: -0.0126                                           (01:35:50)
[INFO]       Auto_mut: Effect of mutation residue number 39 from chain A (isoleucine) into lysine: 
                       Energy difference: 0.3004 kcal/mol, Difference in average score from the    
                       base case: -0.0149                                                          (01:35:50)
[INFO]       Auto_mut: Effect of mutation residue number 39 from chain A (isoleucine) into         
                       aspartic acid: Energy difference: 0.6535 kcal/mol, Difference in average    
                       score from the base case: -0.0111                                           (01:35:50)
[INFO]       Auto_mut: Effect of mutation residue number 39 from chain A (isoleucine) into         
                       arginine: Energy difference: 0.3735 kcal/mol, Difference in average score   
                       from the base case: -0.0227                                                 (01:35:50)
[INFO]       Auto_mut: Effect of mutation residue number 43 from chain A (phenylalanine) into      
                       glutamic acid: Energy difference: 0.4988 kcal/mol, Difference in average    
                       score from the base case: -0.0121                                           (01:35:50)
[INFO]       Auto_mut: Effect of mutation residue number 43 from chain A (phenylalanine) into      
                       lysine: Energy difference: -0.0937 kcal/mol, Difference in average score    
                       from the base case: -0.0147                                                 (01:35:50)
[INFO]       Auto_mut: Effect of mutation residue number 43 from chain A (phenylalanine) into      
                       aspartic acid: Energy difference: 0.8348 kcal/mol, Difference in average    
                       score from the base case: -0.0104                                           (01:35:50)
[INFO]       Auto_mut: Effect of mutation residue number 43 from chain A (phenylalanine) into      
                       arginine: Energy difference: 0.0384 kcal/mol, Difference in average score   
                       from the base case: -0.0198                                                 (01:35:50)
[INFO]       Auto_mut: Effect of mutation residue number 24 from chain A (tyrosine) into glutamic  
                       acid: Energy difference: 0.3633 kcal/mol, Difference in average score from  
                       the base case: -0.0129                                                      (01:35:51)
[INFO]       Auto_mut: Effect of mutation residue number 24 from chain A (tyrosine) into lysine:   
                       Energy difference: 0.4568 kcal/mol, Difference in average score from the    
                       base case: -0.0132                                                          (01:35:51)
[INFO]       Auto_mut: Effect of mutation residue number 24 from chain A (tyrosine) into aspartic  
                       acid: Energy difference: 0.5795 kcal/mol, Difference in average score from  
                       the base case: -0.0188                                                      (01:35:51)
[INFO]       Auto_mut: Effect of mutation residue number 24 from chain A (tyrosine) into arginine: 
                       Energy difference: 0.0266 kcal/mol, Difference in average score from the    
                       base case: -0.0134                                                          (01:35:51)
[INFO]       Auto_mut: Effect of mutation residue number 35 from chain A (isoleucine) into         
                       glutamic acid: Energy difference: 0.6455 kcal/mol, Difference in average    
                       score from the base case: -0.0143                                           (01:35:51)
[INFO]       Auto_mut: Effect of mutation residue number 35 from chain A (isoleucine) into lysine: 
                       Energy difference: 0.1722 kcal/mol, Difference in average score from the    
                       base case: -0.0192                                                          (01:35:51)
[INFO]       Auto_mut: Effect of mutation residue number 35 from chain A (isoleucine) into         
                       aspartic acid: Energy difference: 1.0658 kcal/mol, Difference in average    
                       score from the base case: -0.0166                                           (01:35:51)
[INFO]       Auto_mut: Effect of mutation residue number 35 from chain A (isoleucine) into         
                       arginine: Energy difference: 0.0484 kcal/mol, Difference in average score   
                       from the base case: -0.0184                                                 (01:35:51)
[INFO]       Auto_mut: Effect of mutation residue number 42 from chain A (tyrosine) into glutamic  
                       acid: Energy difference: -0.9752 kcal/mol, Difference in average score from 
                       the base case: -0.0174                                                      (01:35:51)
[INFO]       Auto_mut: Effect of mutation residue number 42 from chain A (tyrosine) into lysine:   
                       Energy difference: -1.0945 kcal/mol, Difference in average score from the   
                       base case: -0.0161                                                          (01:35:51)
[INFO]       Auto_mut: Effect of mutation residue number 42 from chain A (tyrosine) into aspartic  
                       acid: Energy difference: -0.4162 kcal/mol, Difference in average score from 
                       the base case: -0.0155                                                      (01:35:51)
[INFO]       Auto_mut: Effect of mutation residue number 42 from chain A (tyrosine) into arginine: 
                       Energy difference: -1.2872 kcal/mol, Difference in average score from the   
                       base case: -0.0164                                                          (01:35:51)
[INFO]       Main:     Simulation completed successfully.                                          (01:36:09)

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: -3.6927
Maximal score value: 4.19
Average score: -0.5772
Total score value: -415.5534

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	-0.0231
2	N	A	-1.4447
3	N	A	-1.5961
4	H	A	-1.1002
5	V	A	0.2768
6	S	A	-0.5047
7	S	A	-0.8540
8	K	A	-1.7472
9	P	A	-1.2470
10	S	A	-0.7606
11	T	A	-0.8257
12	M	A	-0.2583
13	K	A	-1.8838
14	L	A	-1.3307
15	K	A	-2.1052
16	H	A	-1.4888
17	T	A	-0.7366
18	I	A	0.2161
19	N	A	-0.1718
20	P	A	1.1960
21	I	A	3.0080
22	L	A	2.9531
23	L	A	2.4048
24	Y	A	3.5543
25	F	A	4.1900
26	I	A	2.9493
27	H	A	2.0760
28	F	A	3.2504
29	L	A	2.8276
30	I	A	2.1887
31	S	A	2.0384
32	L	A	2.6065
33	Y	A	2.3163
34	T	A	2.3021
35	I	A	3.3423
36	L	A	3.2291
37	T	A	2.2085
38	Y	A	3.0978
39	I	A	3.9050
40	P	A	3.0772
41	F	A	2.8134
42	Y	A	3.2790
43	F	A	3.7848
44	F	A	3.2239
45	S	A	0.7215
46	E	A	-1.6400
47	S	A	-2.0644
48	R	A	-2.9132
49	Q	A	-3.0899
50	E	A	-3.6927
51	K	A	-2.6215
52	S	A	0.0000
53	N	A	-2.5788
54	R	A	-1.7333
55	I	A	-0.0555
56	K	A	0.0000
57	A	A	0.0000
58	K	A	-0.6083
59	P	A	-0.8989
60	V	A	-0.3524
61	N	A	-1.5422
62	S	A	-1.7116
63	K	A	-2.4780
64	P	A	-1.9562
65	D	A	-2.1667
66	S	A	0.0000
67	A	A	0.0000
68	Y	A	-0.3155
69	R	A	-0.4552
70	S	A	0.0000
71	V	A	-0.2186
72	N	A	-1.2900
73	S	A	0.0000
74	L	A	-0.6302
75	D	A	-1.6092
76	G	A	-1.0572
77	L	A	-0.4015
78	A	A	-0.2688
79	S	A	0.0603
80	V	A	0.5326
81	L	A	0.3242
82	Y	A	0.1358
83	P	A	-0.2961
84	G	A	-0.6800
85	C	A	0.0000
86	D	A	-0.6231
87	T	A	0.0000
88	L	A	0.0000
89	D	A	0.0000
90	K	A	-0.9777
91	V	A	0.0000
92	F	A	0.0000
93	T	A	-0.9012
94	Y	A	-0.9197
95	A	A	0.0000
96	K	A	-2.2509
97	N	A	-2.6152
98	K	A	-2.8560
99	F	A	0.0000
100	K	A	-3.3354
101	N	A	-3.2112
102	K	A	-3.1686
103	R	A	-3.0197
104	L	A	0.0000
105	L	A	0.0000
106	G	A	0.0000
107	T	A	-0.8323
108	R	A	-0.8562
109	E	A	-1.0020
110	V	A	0.8623
111	L	A	1.0893
112	N	A	-0.7151
113	E	A	-2.6234
114	E	A	-2.6658
115	D	A	-2.3711
116	E	A	-0.8874
117	V	A	0.7388
118	Q	A	-0.2905
119	P	A	-0.8654
120	N	A	-1.6733
121	G	A	-1.0423
122	K	A	-1.2976
123	I	A	0.5234
124	F	A	-0.1903
125	K	A	-2.3757
126	K	A	-2.5630
127	V	A	0.0000
128	I	A	-0.4714
129	L	A	-0.0731
130	G	A	0.0000
131	Q	A	-1.4148
132	Y	A	-1.3106
133	N	A	-1.8743
134	W	A	-1.0880
135	L	A	-1.0502
136	S	A	-1.9394
137	Y	A	0.0000
138	E	A	-1.9301
139	D	A	-1.3916
140	V	A	0.0000
141	F	A	-0.1111
142	V	A	0.5350
143	R	A	-0.1466
144	A	A	0.0000
145	F	A	0.3153
146	N	A	-0.0989
147	F	A	0.0000
148	G	A	0.0000
149	N	A	0.0000
150	G	A	0.0000
151	L	A	0.0000
152	Q	A	-1.0582
153	M	A	0.0317
154	L	A	-0.1856
155	G	A	-0.8082
156	Q	A	0.0000
157	K	A	-2.4596
158	P	A	0.0000
159	K	A	-2.2034
160	T	A	-1.6751
161	N	A	-1.1728
162	I	A	0.0000
163	A	A	0.0000
164	I	A	0.0000
165	F	A	0.0000
166	C	A	0.0000
167	E	A	-1.1890
168	T	A	-0.6511
169	R	A	-0.6437
170	A	A	0.0000
171	E	A	-0.5353
172	W	A	0.0000
173	M	A	0.0000
174	I	A	0.0000
175	A	A	0.0000
176	A	A	0.0000
177	Q	A	0.0000
178	A	A	0.0000
179	C	A	0.0000
180	F	A	0.0000
181	M	A	0.0000
182	Y	A	0.0000
183	N	A	0.0000
184	F	A	0.0000
185	Q	A	-0.8131
186	L	A	0.0000
187	V	A	0.0000
188	T	A	0.0000
189	L	A	0.0000
190	Y	A	0.0000
191	A	A	-0.5971
192	T	A	-0.6855
193	L	A	-0.5599
194	G	A	-0.9111
195	G	A	-0.7035
196	P	A	0.0304
197	A	A	0.0373
198	I	A	0.0000
199	V	A	0.1399
200	H	A	-0.1202
201	A	A	0.0000
202	L	A	0.0000
203	N	A	-1.1075
204	E	A	-1.3606
205	T	A	0.0000
206	E	A	-2.3331
207	V	A	0.0000
208	T	A	-1.2198
209	N	A	0.0000
210	I	A	0.0000
211	I	A	0.0000
212	T	A	0.0000
213	S	A	0.0000
214	K	A	-1.9933
215	E	A	-2.5420
216	L	A	0.0000
217	L	A	0.0000
218	Q	A	-2.0270
219	T	A	-1.7423
220	K	A	-1.9379
221	L	A	0.0000
222	K	A	-2.3619
223	D	A	-2.3644
224	I	A	0.0000
225	V	A	0.0000
226	S	A	-0.3033
227	L	A	0.7916
228	V	A	0.0000
229	P	A	-0.8017
230	R	A	-1.6557
231	L	A	0.0000
232	R	A	-1.2172
233	H	A	-0.2308
234	I	A	0.0000
235	I	A	0.0000
236	T	A	0.0000
237	V	A	0.0000
238	D	A	-1.4358
239	G	A	-1.8401
240	K	A	-2.1325
241	P	A	-1.1237
242	P	A	-0.9427
243	T	A	-0.5281
244	W	A	-0.5462
245	S	A	-0.9371
246	E	A	-2.0783
247	F	A	-1.0105
248	P	A	-1.2976
249	K	A	-2.0653
250	G	A	-1.2591
251	I	A	-0.5565
252	I	A	0.8691
253	V	A	0.5535
254	H	A	0.0600
255	T	A	-0.6394
256	M	A	0.0000
257	A	A	-0.3121
258	A	A	0.1168
259	V	A	0.0000
260	E	A	-0.1986
261	A	A	-0.2793
262	L	A	-0.0010
263	G	A	0.0000
264	A	A	-0.4803
265	K	A	-1.4762
266	A	A	-1.1782
267	S	A	-1.1801
268	M	A	-0.8145
269	E	A	-2.3764
270	N	A	-2.4113
271	Q	A	-2.4671
272	P	A	-2.0312
273	H	A	-2.2968
274	S	A	-1.4866
275	K	A	-1.2076
276	P	A	0.0000
277	L	A	1.0376
278	P	A	0.3250
279	S	A	0.1848
280	D	A	-0.0552
281	I	A	0.0140
282	A	A	0.0000
283	V	A	0.0000
284	I	A	0.0000
285	M	A	0.0000
286	Y	A	0.0000
287	T	A	0.0092
288	S	A	-0.0886
289	G	A	0.0000
290	S	A	-0.9964
291	T	A	-0.5066
292	G	A	-0.2910
293	L	A	1.1226
294	P	A	0.0000
295	K	A	-0.3749
296	G	A	0.0000
297	V	A	0.0000
298	M	A	0.1180
299	I	A	0.0000
300	S	A	0.0000
301	H	A	0.0000
302	S	A	-0.1615
303	N	A	0.0000
304	I	A	0.0000
305	I	A	0.0000
306	A	A	0.0000
307	G	A	0.0000
308	I	A	0.0000
309	T	A	0.0778
310	G	A	0.0000
311	M	A	0.0000
312	A	A	0.0000
313	E	A	-1.1901
314	R	A	0.0000
315	I	A	-0.3694
316	P	A	-0.8720
317	E	A	-2.1255
318	L	A	-1.2585
319	G	A	-1.4407
320	E	A	-2.3131
321	E	A	-2.4715
322	D	A	0.0000
323	V	A	0.0000
324	Y	A	0.0000
325	I	A	0.0000
326	G	A	0.0000
327	Y	A	0.0000
328	L	A	0.0000
329	P	A	-0.4529
330	L	A	0.0000
331	A	A	0.0000
332	H	A	-0.1978
333	V	A	0.0000
334	L	A	0.1113
335	E	A	0.0000
336	L	A	0.0000
337	S	A	0.0000
338	A	A	0.0712
339	E	A	0.0000
340	L	A	0.0000
341	V	A	0.0000
342	C	A	0.0000
343	L	A	0.0000
344	S	A	0.0000
345	H	A	-0.8672
346	G	A	0.0000
347	C	A	0.0000
348	R	A	-1.5220
349	I	A	0.0000
350	G	A	0.0000
351	Y	A	0.0000
352	S	A	-0.2543
353	S	A	-0.5407
354	P	A	-0.5366
355	Q	A	-1.1325
356	T	A	0.0000
357	L	A	0.0000
358	A	A	0.0000
359	D	A	-2.1660
360	Q	A	-2.0602
361	S	A	0.0000
362	S	A	-1.3804
363	K	A	-1.9693
364	I	A	0.0000
365	K	A	-2.8434
366	K	A	-2.7306
367	G	A	-1.9185
368	S	A	-1.7467
369	K	A	-2.0254
370	G	A	0.0000
371	D	A	0.0000
372	T	A	0.0000
373	S	A	-0.8486
374	M	A	-0.6052
375	L	A	0.0000
376	K	A	-1.2816
377	P	A	0.0000
378	T	A	-1.0865
379	L	A	0.0000
380	M	A	0.0000
381	A	A	0.0000
382	A	A	0.0000
383	V	A	-0.0334
384	P	A	0.0000
385	E	A	-1.3676
386	I	A	0.0000
387	M	A	0.0000
388	D	A	-1.0206
389	R	A	-1.1509
390	I	A	0.0000
391	Y	A	-0.6141
392	K	A	-1.2900
393	N	A	-1.5403
394	V	A	0.0000
395	M	A	-1.4393
396	N	A	-2.4763
397	K	A	-2.6037
398	V	A	0.0000
399	S	A	-2.1513
400	E	A	-2.7956
401	M	A	-1.4863
402	S	A	-0.4163
403	S	A	-0.0249
404	F	A	1.3931
405	Q	A	-0.2553
406	R	A	-0.8984
407	N	A	-0.0405
408	L	A	0.7594
409	F	A	0.0000
410	I	A	0.0000
411	L	A	0.0000
412	A	A	0.0000
413	Y	A	0.0000
414	N	A	-0.9973
415	Y	A	-0.7164
416	K	A	0.0000
417	M	A	0.0000
418	E	A	-2.1063
419	Q	A	0.0000
420	I	A	0.0000
421	S	A	-1.7862
422	K	A	-2.1310
423	G	A	-2.3151
424	R	A	-1.6931
425	N	A	-1.5450
426	T	A	0.0000
427	P	A	0.1171
428	L	A	0.8376
429	C	A	0.0000
430	D	A	0.0000
431	S	A	0.2177
432	F	A	1.3407
433	V	A	0.0000
434	F	A	0.0000
435	R	A	-2.2799
436	K	A	-2.4774
437	V	A	0.0000
438	R	A	-1.9025
439	S	A	-1.7340
440	L	A	-1.0126
441	L	A	0.0000
442	G	A	-1.1594
443	G	A	-1.7935
444	N	A	-1.6466
445	I	A	0.0000
446	R	A	-0.6694
447	L	A	-0.0735
448	L	A	0.0000
449	L	A	0.4037
450	C	A	0.0000
451	G	A	0.0000
452	G	A	-0.1103
453	A	A	-0.3202
454	P	A	-0.3989
455	L	A	0.0000
456	S	A	-0.3704
457	A	A	-0.2947
458	T	A	-0.0310
459	T	A	0.0000
460	Q	A	0.0000
461	R	A	-0.1949
462	F	A	0.0000
463	M	A	0.0000
464	N	A	0.0000
465	I	A	0.0000
466	C	A	0.0000
467	F	A	0.0000
468	C	A	-0.5549
469	C	A	0.0000
470	P	A	0.1344
471	V	A	0.0000
472	G	A	0.1309
473	Q	A	0.0000
474	G	A	0.0541
475	Y	A	0.0765
476	G	A	-0.0100
477	L	A	0.1284
478	T	A	0.0399
479	E	A	0.0000
480	S	A	0.0000
481	A	A	0.0000
482	G	A	-0.0412
483	A	A	0.0000
484	G	A	0.0000
485	T	A	0.0000
486	I	A	0.2680
487	S	A	0.0000
488	E	A	0.0000
489	V	A	0.4516
490	W	A	-0.5001
491	D	A	0.0000
492	Y	A	-0.3989
493	N	A	-0.6557
494	T	A	-0.4616
495	G	A	-0.3394
496	R	A	0.0000
497	V	A	0.0000
498	G	A	0.0000
499	A	A	0.0000
500	P	A	0.0000
501	L	A	0.0000
502	V	A	0.0000
503	C	A	0.0000
504	C	A	0.0000
505	E	A	0.0000
506	I	A	0.0000
507	K	A	-1.1157
508	L	A	0.0000
509	K	A	-1.9139
510	N	A	-2.2392
511	W	A	-2.0802
512	E	A	-3.0196
513	E	A	-3.0204
514	G	A	0.0000
515	G	A	-1.5668
516	Y	A	-1.1596
517	F	A	-1.0632
518	N	A	0.0000
519	T	A	-1.0684
520	D	A	-1.3508
521	K	A	-2.0643
522	P	A	-1.6020
523	H	A	-1.3326
524	P	A	-1.1879
525	R	A	-1.0300
526	G	A	0.0000
527	E	A	0.0000
528	I	A	0.0000
529	L	A	0.0000
530	I	A	0.0000
531	G	A	0.0000
532	G	A	0.0000
533	Q	A	-0.7822
534	S	A	0.0000
535	V	A	0.0000
536	T	A	0.0000
537	M	A	0.2792
538	G	A	0.0000
539	Y	A	0.0000
540	Y	A	-1.2116
541	K	A	-2.4795
542	N	A	-2.5850
543	E	A	-3.1135
544	A	A	-2.0309
545	K	A	-2.0350
546	T	A	-1.9503
547	K	A	-2.4426
548	A	A	-1.1520
549	D	A	-0.8036
550	F	A	0.0000
551	F	A	-0.8717
552	E	A	-3.0112
553	D	A	-2.9668
554	E	A	-3.3952
555	N	A	-3.0572
556	G	A	-2.6214
557	Q	A	-2.3068
558	R	A	-1.9783
559	W	A	0.0000
560	L	A	0.0000
561	C	A	0.0045
562	T	A	0.0000
563	G	A	0.0000
564	D	A	0.0000
565	I	A	0.0000
566	G	A	0.0000
567	E	A	-0.5259
568	F	A	0.0000
569	E	A	-0.8588
570	P	A	-0.6152
571	D	A	-0.6524
572	G	A	0.0000
573	C	A	0.0000
574	L	A	0.0000
575	K	A	-0.4585
576	I	A	0.2504
577	I	A	-0.0066
578	D	A	0.0000
579	R	A	-1.5682
580	K	A	-1.8897
581	K	A	-2.3026
582	D	A	-1.6988
583	L	A	0.0000
584	V	A	-1.0552
585	K	A	-1.5672
586	L	A	0.0000
587	Q	A	-1.3118
588	A	A	-0.8192
589	G	A	-1.1720
590	E	A	-1.1581
591	Y	A	-0.8342
592	V	A	0.0000
593	S	A	0.0000
594	L	A	0.0000
595	G	A	-0.9012
596	K	A	-1.3746
597	V	A	0.0000
598	E	A	0.0000
599	A	A	-0.6592
600	A	A	-0.2735
601	L	A	0.0000
602	K	A	-0.8507
603	N	A	-0.7215
604	L	A	-0.4956
605	P	A	-1.0875
606	L	A	0.0000
607	V	A	0.0000
608	D	A	-2.3431
609	N	A	-1.0781
610	I	A	0.0000
611	C	A	0.0000
612	A	A	0.0000
613	Y	A	0.0000
614	A	A	0.0000
615	N	A	-0.3144
616	S	A	-0.4837
617	Y	A	0.5322
618	H	A	-0.2116
619	S	A	-0.5506
620	Y	A	0.0664
621	V	A	0.0000
622	I	A	0.0000
623	G	A	0.0000
624	F	A	0.0000
625	V	A	0.0000
626	V	A	0.0000
627	P	A	0.0000
628	N	A	-2.3449
629	Q	A	-2.7078
630	K	A	-2.9091
631	E	A	-2.4480
632	L	A	0.0000
633	T	A	-2.4358
634	E	A	-2.5842
635	L	A	-2.1840
636	A	A	0.0000
637	R	A	-3.6827
638	K	A	-3.3350
639	K	A	-3.2614
640	G	A	-2.3862
641	L	A	-2.1463
642	K	A	-2.5436
643	G	A	-2.2916
644	T	A	-1.8544
645	W	A	-2.0199
646	E	A	-3.1350
647	E	A	-3.4067
648	L	A	0.0000
649	C	A	0.0000
650	N	A	-2.5365
651	S	A	-1.8189
652	C	A	-0.9966
653	E	A	-2.0766
654	M	A	0.0000
655	E	A	0.0000
656	N	A	-2.0534
657	E	A	-1.6916
658	V	A	0.0000
659	L	A	-1.2966
660	K	A	-2.0205
661	V	A	-0.9071
662	L	A	0.0000
663	S	A	-0.7166
664	E	A	-1.4208
665	A	A	-0.3888
666	A	A	0.0000
667	I	A	0.6184
668	S	A	0.2220
669	A	A	0.0184
670	S	A	-0.2082
671	L	A	0.0000
672	E	A	-2.1799
673	K	A	-1.8769
674	F	A	-0.8142
675	E	A	0.0000
676	I	A	0.0000
677	P	A	0.0000
678	V	A	0.6310
679	K	A	-0.3988
680	I	A	0.0000
681	R	A	-0.7806
682	L	A	0.0000
683	S	A	0.0000
684	P	A	-1.6436
685	E	A	-1.0998
686	P	A	-1.0983
687	W	A	0.0000
688	T	A	-0.7670
689	P	A	-1.0077
690	E	A	-2.0166
691	T	A	-1.2866
692	G	A	-1.2049
693	L	A	0.0000
694	V	A	0.0000
695	T	A	-0.3848
696	D	A	-0.4671
697	A	A	-0.0790
698	F	A	0.3146
699	K	A	-0.4380
700	L	A	-0.6088
701	K	A	-1.4490
702	R	A	-2.1631
703	K	A	-2.8935
704	E	A	-2.6728
705	L	A	0.0000
706	K	A	-2.2139
707	T	A	-1.8658
708	H	A	-1.7838
709	Y	A	0.0000
710	Q	A	-1.5249
711	A	A	-1.2538
712	D	A	-1.2677
713	I	A	0.0000
714	E	A	-2.1959
715	R	A	-2.2608
716	M	A	0.0000
717	Y	A	-1.2734
718	G	A	-2.2455
719	R	A	-3.2720
720	K	A	-2.7496

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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
YR42A	-1.2872	-0.0164	View	CSV	PDB
YK42A	-1.0945	-0.0161	View	CSV	PDB
FK43A	-0.0937	-0.0147	View	CSV	PDB
FR43A	0.0384	-0.0198	View	CSV	PDB
YR24A	0.0266	-0.0134	View	CSV	PDB
IR35A	0.0484	-0.0184	View	CSV	PDB
IK35A	0.1722	-0.0192	View	CSV	PDB
IR39A	0.3735	-0.0227	View	CSV	PDB
IK39A	0.3004	-0.0149	View	CSV	PDB
YE24A	0.3633	-0.0129	View	CSV	PDB
FK25A	0.4585	-0.0125	View	CSV	PDB
FR25A	0.8104	-0.0182	View	CSV	PDB

Project name: hACSL3_FL

Status: done

Started: 2025-11-19 10:00:11

Automated mutations analysis

Mutant

Energetic effect

Score comparison