Aggrescan3D: hACSL4

Project name: hACSL4_FL

Status: done

Started: 2025-11-19 12:37:23

Settings

Chain sequence(s)	A: MKLKLNVLTIILLPVHLLITIYSALIFIPWYFLTNAKKKNAMAKRIKAKPTSDKPGSPYRSVTHFDSLAVIDIPGADTLDKLFDHAVSKFGKKDSLGTREILSEENEMQPNGKVFKKLILGNYKWMNYLEVNRRVNNFGSGLTALGLKPKNTIAIFCETRAEWMIAAQTCFKYNFPLVTLYATLGKEAVVHGLNESEASYLITSVELLESKLKTALLDISCVKHIIYVDNKAINKAEYPEGFEIHSMQSVEELGSNPENLGIPPSRPTPSDMAIVMYTSGSTGRPKGVMMHHSNLIAGMTGQCERIPGLGPKDTYIGYLPLAHVLELTAEISCFTYGCRIGYSSPLTLSDQSSKIKKGSKGDCTVLKPTLMAAVPEIMDRIYKNVMSKVQEMNYIQKTLFKIGYDYKLEQIKKGYDAPLCNLLLFKKVKALLGGNVRMMLSGGAPLSPQTHRFMNVCFCCPIGQGYGLTESCGAGTVTEVTDYTTGRVGAPLICCEIKLKDWQEGGYTINDKPNPRGEIVIGGQNISMGYFKNEEKTAEDYSVDENGQRWFCTGDIGEFHPDGCLQIIDRKKDLVKLQAGEYVSLGKVEAALKNCPLIDNICAFAKSDQSYVISFVVPNQKRLTLLAQQKGVEGTWVDICNNPAMEAEILKEIREAANAMKLERFEIPIKVRLSPEPWTPETGLVTDAFKLKRKELRNHYLKDIERMYGGK 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                                          (00:19:13)
[INFO]       Auto_mut: Residue number 28 from chain A and a score of 3.894 (isoleucine) selected   
                       for automated muatation                                                     (00:19:22)
[INFO]       Auto_mut: Residue number 25 from chain A and a score of 3.497 (leucine) selected for  
                       automated muatation                                                         (00:19:22)
[INFO]       Auto_mut: Residue number 26 from chain A and a score of 3.477 (isoleucine) selected   
                       for automated muatation                                                     (00:19:22)
[INFO]       Auto_mut: Residue number 27 from chain A and a score of 3.448 (phenylalanine)         
                       selected for automated muatation                                            (00:19:22)
[INFO]       Auto_mut: Residue number 21 from chain A and a score of 3.245 (isoleucine) selected   
                       for automated muatation                                                     (00:19:22)
[INFO]       Auto_mut: Residue number 11 from chain A and a score of 3.216 (isoleucine) selected   
                       for automated muatation                                                     (00:19:22)
[INFO]       Auto_mut: Mutating residue number 28 from chain A (isoleucine) into glutamic acid     (00:19:22)
[INFO]       Auto_mut: Mutating residue number 28 from chain A (isoleucine) into aspartic acid     (00:19:22)
[INFO]       Auto_mut: Mutating residue number 25 from chain A (leucine) into glutamic acid        (00:19:22)
[INFO]       Auto_mut: Mutating residue number 28 from chain A (isoleucine) into arginine          (00:28:16)
[INFO]       Auto_mut: Mutating residue number 25 from chain A (leucine) into lysine               (00:28:25)
[INFO]       Auto_mut: Mutating residue number 28 from chain A (isoleucine) into lysine            (00:28:43)
[INFO]       Auto_mut: Mutating residue number 25 from chain A (leucine) into aspartic acid        (00:37:41)
[INFO]       Auto_mut: Mutating residue number 26 from chain A (isoleucine) into glutamic acid     (00:38:08)
[INFO]       Auto_mut: Mutating residue number 26 from chain A (isoleucine) into aspartic acid     (00:38:10)
[INFO]       Auto_mut: Mutating residue number 25 from chain A (leucine) into arginine             (00:46:28)
[INFO]       Auto_mut: Mutating residue number 26 from chain A (isoleucine) into lysine            (00:47:38)
[INFO]       Auto_mut: Mutating residue number 26 from chain A (isoleucine) into arginine          (00:47:50)
[INFO]       Auto_mut: Mutating residue number 27 from chain A (phenylalanine) into glutamic acid  
                       Mutating residue number 27 from chain A (phenylalanine) into glutamic acid  (00:55:57)
[INFO]       Auto_mut: Mutating residue number 27 from chain A (phenylalanine) into aspartic acid  
                       Mutating residue number 27 from chain A (phenylalanine) into aspartic acid  (00:57:51)
[INFO]       Auto_mut: Mutating residue number 21 from chain A (isoleucine) into glutamic acid     (00:58:03)
[INFO]       Auto_mut: Mutating residue number 27 from chain A (phenylalanine) into lysine         (01:05:53)
[INFO]       Auto_mut: Mutating residue number 27 from chain A (phenylalanine) into arginine       (01:07:29)
[INFO]       Auto_mut: Mutating residue number 21 from chain A (isoleucine) into lysine            (01:07:39)
[INFO]       Auto_mut: Mutating residue number 21 from chain A (isoleucine) into aspartic acid     (01:15:55)
[INFO]       Auto_mut: Mutating residue number 11 from chain A (isoleucine) into glutamic acid     (01:17:20)
[INFO]       Auto_mut: Mutating residue number 11 from chain A (isoleucine) into aspartic acid     (01:17:24)
[INFO]       Auto_mut: Mutating residue number 21 from chain A (isoleucine) into arginine          (01:25:20)
[INFO]       Auto_mut: Mutating residue number 11 from chain A (isoleucine) into arginine          (01:26:27)
[INFO]       Auto_mut: Mutating residue number 11 from chain A (isoleucine) into lysine            (01:26:49)
[INFO]       Auto_mut: Effect of mutation residue number 28 from chain A (isoleucine) into         
                       glutamic acid: Energy difference: 0.0124 kcal/mol, Difference in average    
                       score from the base case: -0.0268                                           (01:36:32)
[INFO]       Auto_mut: Effect of mutation residue number 28 from chain A (isoleucine) into lysine: 
                       Energy difference: -0.3918 kcal/mol, Difference in average score from the   
                       base case: -0.0230                                                          (01:36:32)
[INFO]       Auto_mut: Effect of mutation residue number 28 from chain A (isoleucine) into         
                       aspartic acid: Energy difference: 0.2592 kcal/mol, Difference in average    
                       score from the base case: -0.0227                                           (01:36:32)
[INFO]       Auto_mut: Effect of mutation residue number 28 from chain A (isoleucine) into         
                       arginine: Energy difference: -0.6963 kcal/mol, Difference in average score  
                       from the base case: -0.0239                                                 (01:36:32)
[INFO]       Auto_mut: Effect of mutation residue number 25 from chain A (leucine) into glutamic   
                       acid: Energy difference: 0.6563 kcal/mol, Difference in average score from  
                       the base case: -0.0158                                                      (01:36:32)
[INFO]       Auto_mut: Effect of mutation residue number 25 from chain A (leucine) into lysine:    
                       Energy difference: 0.2692 kcal/mol, Difference in average score from the    
                       base case: -0.0199                                                          (01:36:32)
[INFO]       Auto_mut: Effect of mutation residue number 25 from chain A (leucine) into aspartic   
                       acid: Energy difference: 1.0169 kcal/mol, Difference in average score from  
                       the base case: -0.0181                                                      (01:36:32)
[INFO]       Auto_mut: Effect of mutation residue number 25 from chain A (leucine) into arginine:  
                       Energy difference: -0.1127 kcal/mol, Difference in average score from the   
                       base case: -0.0243                                                          (01:36:32)
[INFO]       Auto_mut: Effect of mutation residue number 26 from chain A (isoleucine) into         
                       glutamic acid: Energy difference: 0.4529 kcal/mol, Difference in average    
                       score from the base case: -0.0194                                           (01:36:32)
[INFO]       Auto_mut: Effect of mutation residue number 26 from chain A (isoleucine) into lysine: 
                       Energy difference: -0.0930 kcal/mol, Difference in average score from the   
                       base case: -0.0168                                                          (01:36:32)
[INFO]       Auto_mut: Effect of mutation residue number 26 from chain A (isoleucine) into         
                       aspartic acid: Energy difference: 0.8000 kcal/mol, Difference in average    
                       score from the base case: -0.0217                                           (01:36:32)
[INFO]       Auto_mut: Effect of mutation residue number 26 from chain A (isoleucine) into         
                       arginine: Energy difference: -1.2475 kcal/mol, Difference in average score  
                       from the base case: -0.0181                                                 (01:36:32)
[INFO]       Auto_mut: Effect of mutation residue number 27 from chain A (phenylalanine) into      
                       glutamic acid: Energy difference: 1.3364 kcal/mol, Difference in average    
                       score from the base case: -0.0084                                           (01:36:32)
[INFO]       Auto_mut: Effect of mutation residue number 27 from chain A (phenylalanine) into      
                       lysine: Energy difference: 1.1567 kcal/mol, Difference in average score     
                       from the base case: -0.0097                                                 (01:36:32)
[INFO]       Auto_mut: Effect of mutation residue number 27 from chain A (phenylalanine) into      
                       aspartic acid: Energy difference: 1.9665 kcal/mol, Difference in average    
                       score from the base case: -0.0139                                           (01:36:32)
[INFO]       Auto_mut: Effect of mutation residue number 27 from chain A (phenylalanine) into      
                       arginine: Energy difference: 0.7685 kcal/mol, Difference in average score   
                       from the base case: -0.0157                                                 (01:36:32)
[INFO]       Auto_mut: Effect of mutation residue number 21 from chain A (isoleucine) into         
                       glutamic acid: Energy difference: 0.6393 kcal/mol, Difference in average    
                       score from the base case: -0.0182                                           (01:36:32)
[INFO]       Auto_mut: Effect of mutation residue number 21 from chain A (isoleucine) into lysine: 
                       Energy difference: 0.5761 kcal/mol, Difference in average score from the    
                       base case: -0.0181                                                          (01:36:32)
[INFO]       Auto_mut: Effect of mutation residue number 21 from chain A (isoleucine) into         
                       aspartic acid: Energy difference: 1.0540 kcal/mol, Difference in average    
                       score from the base case: -0.0207                                           (01:36:32)
[INFO]       Auto_mut: Effect of mutation residue number 21 from chain A (isoleucine) into         
                       arginine: Energy difference: 0.4457 kcal/mol, Difference in average score   
                       from the base case: -0.0212                                                 (01:36:32)
[INFO]       Auto_mut: Effect of mutation residue number 11 from chain A (isoleucine) into         
                       glutamic acid: Energy difference: 0.3356 kcal/mol, Difference in average    
                       score from the base case: -0.0218                                           (01:36:32)
[INFO]       Auto_mut: Effect of mutation residue number 11 from chain A (isoleucine) into lysine: 
                       Energy difference: -0.2401 kcal/mol, Difference in average score from the   
                       base case: -0.0200                                                          (01:36:32)
[INFO]       Auto_mut: Effect of mutation residue number 11 from chain A (isoleucine) into         
                       aspartic acid: Energy difference: 0.7965 kcal/mol, Difference in average    
                       score from the base case: -0.0195                                           (01:36:32)
[INFO]       Auto_mut: Effect of mutation residue number 11 from chain A (isoleucine) into         
                       arginine: Energy difference: -0.0125 kcal/mol, Difference in average score  
                       from the base case: -0.0257                                                 (01:36:32)
[INFO]       Main:     Simulation completed successfully.                                          (01:36:50)

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: -3.9294
Maximal score value: 3.8936
Average score: -0.6378
Total score value: -453.4904

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	0.4182
2	K	A	-0.7866
3	L	A	0.2920
4	K	A	-0.7816
5	L	A	1.0375
6	N	A	0.6019
7	V	A	2.3182
8	L	A	2.5470
9	T	A	1.9717
10	I	A	2.9970
11	I	A	3.2164
12	L	A	0.0000
13	L	A	2.2109
14	P	A	1.6203
15	V	A	1.9090
16	H	A	1.8257
17	L	A	2.5386
18	L	A	2.3058
19	I	A	1.9581
20	T	A	2.1090
21	I	A	3.2448
22	Y	A	2.9435
23	S	A	2.5382
24	A	A	2.5706
25	L	A	3.4966
26	I	A	3.4767
27	F	A	3.4478
28	I	A	3.8936
29	P	A	2.9143
30	W	A	2.6764
31	Y	A	2.3890
32	F	A	2.9919
33	L	A	2.7756
34	T	A	0.5660
35	N	A	-0.6085
36	A	A	0.0000
37	K	A	-2.4281
38	K	A	-2.7590
39	K	A	-2.3284
40	N	A	-2.6085
41	A	A	-1.8540
42	M	A	-1.3397
43	A	A	-1.4690
44	K	A	-2.1974
45	R	A	-1.6167
46	I	A	-0.1108
47	K	A	0.0000
48	A	A	0.0000
49	K	A	-0.7378
50	P	A	-1.1792
51	T	A	-1.1206
52	S	A	-1.6808
53	D	A	-2.8353
54	K	A	-2.7799
55	P	A	-1.8308
56	G	A	-1.6512
57	S	A	0.0000
58	P	A	-0.6133
59	Y	A	-0.3146
60	R	A	-0.5743
61	S	A	0.0000
62	V	A	-0.0805
63	T	A	-0.2325
64	H	A	-0.6025
65	F	A	-0.6434
66	D	A	-1.7131
67	S	A	-0.9000
68	L	A	-0.2000
69	A	A	0.1316
70	V	A	0.6420
71	I	A	0.7225
72	D	A	-0.4364
73	I	A	-0.1933
74	P	A	-0.4051
75	G	A	-0.8392
76	A	A	0.0000
77	D	A	-0.7598
78	T	A	0.0000
79	L	A	0.0000
80	D	A	0.0000
81	K	A	-1.6902
82	L	A	0.0000
83	F	A	0.0000
84	D	A	-1.2458
85	H	A	-1.1524
86	A	A	0.0000
87	V	A	0.0000
88	S	A	-1.3210
89	K	A	-2.1199
90	F	A	-1.6849
91	G	A	-1.9398
92	K	A	-2.7735
93	K	A	-2.7587
94	D	A	-2.2778
95	S	A	0.0000
96	L	A	0.0000
97	G	A	0.0000
98	T	A	-0.7993
99	R	A	-0.6348
100	E	A	-0.2278
101	I	A	1.6809
102	L	A	1.6841
103	S	A	-0.0276
104	E	A	-2.3594
105	E	A	-2.8220
106	N	A	-2.5514
107	E	A	-1.8154
108	M	A	-0.4843
109	Q	A	-1.0297
110	P	A	-1.2447
111	N	A	-1.9550
112	G	A	-1.6181
113	K	A	-1.9861
114	V	A	-0.7095
115	F	A	-0.5359
116	K	A	-2.0414
117	K	A	-2.3487
118	L	A	0.0000
119	I	A	-0.2993
120	L	A	0.0000
121	G	A	-0.3629
122	N	A	-1.5451
123	Y	A	-1.2720
124	K	A	-2.1190
125	W	A	-1.2855
126	M	A	-1.1666
127	N	A	-1.7318
128	Y	A	0.0000
129	L	A	-1.5937
130	E	A	-2.1811
131	V	A	0.0000
132	N	A	-1.6433
133	R	A	-2.6027
134	R	A	-2.1457
135	V	A	0.0000
136	N	A	-1.1156
137	N	A	-1.5124
138	F	A	0.0000
139	G	A	0.0000
140	S	A	0.0000
141	G	A	0.0000
142	L	A	0.0000
143	T	A	-0.1618
144	A	A	-0.0725
145	L	A	0.0480
146	G	A	-0.5205
147	L	A	0.0000
148	K	A	-2.3601
149	P	A	-2.1230
150	K	A	-2.3951
151	N	A	-2.0750
152	T	A	0.0000
153	I	A	0.0000
154	A	A	0.0000
155	I	A	0.0000
156	F	A	0.0000
157	C	A	0.0000
158	E	A	-1.2295
159	T	A	-0.6687
160	R	A	-0.6773
161	A	A	0.0000
162	E	A	-0.5225
163	W	A	0.0000
164	M	A	0.0000
165	I	A	0.0000
166	A	A	0.0000
167	A	A	0.0000
168	Q	A	0.0000
169	T	A	0.0000
170	C	A	0.0000
171	F	A	0.0000
172	K	A	0.0000
173	Y	A	0.0000
174	N	A	0.0000
175	F	A	0.0000
176	P	A	0.0000
177	L	A	0.0000
178	V	A	0.0000
179	T	A	0.0000
180	L	A	0.0000
181	Y	A	0.0000
182	A	A	-0.5729
183	T	A	-0.8703
184	L	A	0.0000
185	G	A	-1.7587
186	K	A	-2.2839
187	E	A	-2.7861
188	A	A	0.0000
189	V	A	0.0000
190	V	A	-1.2930
191	H	A	-1.7444
192	G	A	0.0000
193	L	A	0.0000
194	N	A	-1.6331
195	E	A	-1.5283
196	S	A	0.0000
197	E	A	-2.2246
198	A	A	0.0000
199	S	A	-1.0137
200	Y	A	0.0000
201	L	A	0.0000
202	I	A	0.0000
203	T	A	0.0000
204	S	A	0.0000
205	V	A	0.0000
206	E	A	-2.6091
207	L	A	0.0000
208	L	A	0.0000
209	E	A	-2.8241
210	S	A	-1.8655
211	K	A	-1.6882
212	L	A	0.0000
213	K	A	-1.5200
214	T	A	-0.8165
215	A	A	0.0000
216	L	A	0.0000
217	L	A	0.2520
218	D	A	-1.4891
219	I	A	0.0000
220	S	A	-0.9098
221	C	A	-1.2415
222	V	A	0.0000
223	K	A	-1.5090
224	H	A	0.0000
225	I	A	0.0000
226	I	A	0.0000
227	Y	A	0.0000
228	V	A	0.0000
229	D	A	-1.9206
230	N	A	-2.4357
231	K	A	-2.3408
232	A	A	-1.5294
233	I	A	-1.8738
234	N	A	-2.3636
235	K	A	-3.0973
236	A	A	-2.1065
237	E	A	-2.8610
238	Y	A	0.0000
239	P	A	-1.3518
240	E	A	-2.3742
241	G	A	-1.6187
242	F	A	-1.6296
243	E	A	-2.1649
244	I	A	0.0000
245	H	A	-0.8497
246	S	A	-1.2728
247	M	A	0.0000
248	Q	A	-2.1224
249	S	A	-1.3239
250	V	A	0.0000
251	E	A	-1.9203
252	E	A	-2.2918
253	L	A	-0.9944
254	G	A	0.0000
255	S	A	-1.5285
256	N	A	-1.5178
257	P	A	-1.0637
258	E	A	-1.7505
259	N	A	-0.5681
260	L	A	0.1142
261	G	A	-0.2038
262	I	A	0.8917
263	P	A	0.2073
264	P	A	-0.2597
265	S	A	-1.0546
266	R	A	-1.4193
267	P	A	-1.1018
268	T	A	-0.5129
269	P	A	-0.3876
270	S	A	-0.3550
271	D	A	0.0000
272	M	A	-0.2792
273	A	A	0.0000
274	I	A	0.0000
275	V	A	0.0000
276	M	A	0.0000
277	Y	A	0.0000
278	T	A	-0.3784
279	S	A	-0.7038
280	G	A	-0.8261
281	S	A	-1.2871
282	T	A	-1.0644
283	G	A	-1.3739
284	R	A	-2.1441
285	P	A	0.0000
286	K	A	-1.1346
287	G	A	0.0000
288	V	A	0.0000
289	M	A	0.1098
290	M	A	0.0000
291	H	A	-0.2461
292	H	A	0.0000
293	S	A	-0.2788
294	N	A	0.0000
295	L	A	0.0000
296	I	A	0.0000
297	A	A	0.0000
298	G	A	0.0000
299	M	A	0.0000
300	T	A	0.0000
301	G	A	0.0000
302	Q	A	-0.6281
303	C	A	0.0000
304	E	A	-1.9657
305	R	A	0.0000
306	I	A	-0.3555
307	P	A	-0.5747
308	G	A	-0.8543
309	L	A	-0.5529
310	G	A	0.0000
311	P	A	-1.4095
312	K	A	-1.9352
313	D	A	0.0000
314	T	A	0.0000
315	Y	A	0.0000
316	I	A	0.0000
317	G	A	0.0000
318	Y	A	0.0000
319	L	A	0.0000
320	P	A	-0.3757
321	L	A	0.0000
322	A	A	0.0000
323	H	A	-0.1226
324	V	A	0.0000
325	L	A	0.0000
326	E	A	0.0000
327	L	A	0.0000
328	T	A	0.0000
329	A	A	0.0168
330	E	A	0.0000
331	I	A	0.0000
332	S	A	0.0000
333	C	A	0.0000
334	F	A	0.0000
335	T	A	0.0000
336	Y	A	-0.2504
337	G	A	0.0000
338	C	A	0.0000
339	R	A	-1.4015
340	I	A	0.0000
341	G	A	0.0000
342	Y	A	0.0000
343	S	A	-0.0603
344	S	A	-0.1084
345	P	A	0.1047
346	L	A	0.0940
347	T	A	0.0000
348	L	A	0.0000
349	S	A	-0.9026
350	D	A	-2.1591
351	Q	A	-2.3167
352	S	A	-1.3344
353	S	A	-1.0203
354	K	A	-1.5020
355	I	A	0.0000
356	K	A	-3.0742
357	K	A	-2.9074
358	G	A	-2.0129
359	S	A	-1.9129
360	K	A	-2.2974
361	G	A	0.0000
362	D	A	0.0000
363	C	A	0.0000
364	T	A	-0.7787
365	V	A	-0.6433
366	L	A	0.0000
367	K	A	-1.3366
368	P	A	0.0000
369	T	A	-1.1128
370	L	A	0.0000
371	M	A	0.0000
372	A	A	0.0000
373	A	A	0.0000
374	V	A	0.0000
375	P	A	0.0000
376	E	A	-0.8873
377	I	A	0.0000
378	M	A	0.0000
379	D	A	0.0000
380	R	A	-1.5542
381	I	A	0.0000
382	Y	A	-0.7517
383	K	A	-1.4323
384	N	A	-1.8242
385	V	A	0.0000
386	M	A	-1.5145
387	S	A	-2.0613
388	K	A	-3.0216
389	V	A	0.0000
390	Q	A	-2.7166
391	E	A	-3.1607
392	M	A	-1.9490
393	N	A	-1.0366
394	Y	A	0.5556
395	I	A	0.9719
396	Q	A	-0.8569
397	K	A	-1.3161
398	T	A	-0.0723
399	L	A	-0.0932
400	F	A	0.0000
401	K	A	-1.2387
402	I	A	-0.6442
403	G	A	0.0000
404	Y	A	-0.9803
405	D	A	-2.0946
406	Y	A	-1.2122
407	K	A	0.0000
408	L	A	-1.9542
409	E	A	-3.0907
410	Q	A	-2.2312
411	I	A	0.0000
412	K	A	-2.9699
413	K	A	-2.6783
414	G	A	-2.2861
415	Y	A	-1.4942
416	D	A	-0.9704
417	A	A	0.0000
418	P	A	0.6039
419	L	A	1.1258
420	C	A	0.0000
421	N	A	0.1654
422	L	A	1.1395
423	L	A	1.5734
424	L	A	0.3302
425	F	A	0.0000
426	K	A	-1.6196
427	K	A	-1.8454
428	V	A	0.0000
429	K	A	-1.3811
430	A	A	-1.3559
431	L	A	-0.7749
432	L	A	0.0000
433	G	A	-1.0138
434	G	A	-1.6791
435	N	A	-1.7256
436	V	A	0.0000
437	R	A	-0.8215
438	M	A	0.0000
439	M	A	0.0000
440	L	A	0.2537
441	S	A	0.0000
442	G	A	0.0000
443	G	A	-0.2291
444	A	A	-0.3028
445	P	A	-0.5085
446	L	A	0.0000
447	S	A	-0.7437
448	P	A	-0.8322
449	Q	A	-1.0395
450	T	A	0.0000
451	H	A	0.0000
452	R	A	-0.9557
453	F	A	0.0000
454	M	A	0.0000
455	N	A	0.0000
456	V	A	0.0000
457	C	A	0.0000
458	F	A	0.0000
459	C	A	-0.4034
460	C	A	0.0000
461	P	A	0.0117
462	I	A	0.0000
463	G	A	0.0000
464	Q	A	0.0000
465	G	A	-0.0833
466	Y	A	0.0320
467	G	A	-0.0016
468	L	A	0.1832
469	T	A	0.0800
470	E	A	0.0000
471	S	A	0.0000
472	C	A	0.0000
473	G	A	0.0000
474	A	A	-0.0222
475	G	A	0.0000
476	T	A	0.0000
477	V	A	0.0000
478	T	A	0.0000
479	E	A	-0.2185
480	V	A	0.2787
481	T	A	-0.3914
482	D	A	0.0000
483	Y	A	-0.2180
484	T	A	-0.3458
485	T	A	-0.4422
486	G	A	-0.4329
487	R	A	-0.2996
488	V	A	0.0000
489	G	A	0.0000
490	A	A	0.0000
491	P	A	0.0000
492	L	A	0.0000
493	I	A	0.0000
494	C	A	0.0000
495	C	A	0.0000
496	E	A	0.0000
497	I	A	0.0000
498	K	A	-0.8635
499	L	A	0.0000
500	K	A	-2.1690
501	D	A	-3.1539
502	W	A	-2.3846
503	Q	A	-2.8070
504	E	A	-2.9140
505	G	A	-1.9389
506	G	A	-1.7591
507	Y	A	0.0000
508	T	A	-2.0731
509	I	A	-1.6390
510	N	A	-2.1096
511	D	A	-2.1325
512	K	A	-2.3838
513	P	A	-1.7306
514	N	A	-1.4797
515	P	A	-1.6876
516	R	A	-1.6927
517	G	A	0.0000
518	E	A	0.0000
519	I	A	0.0000
520	V	A	0.0000
521	I	A	0.0000
522	G	A	0.0000
523	G	A	0.0000
524	Q	A	-0.8672
525	N	A	0.0000
526	I	A	0.0000
527	S	A	0.0000
528	M	A	0.2133
529	G	A	0.0000
530	Y	A	0.0000
531	F	A	-1.1633
532	K	A	-2.7364
533	N	A	-3.0073
534	E	A	-3.8602
535	E	A	-3.9294
536	K	A	-3.2794
537	T	A	-2.5824
538	A	A	-2.1791
539	E	A	-2.9275
540	D	A	-1.5530
541	Y	A	0.0000
542	S	A	0.0163
543	V	A	0.4517
544	D	A	-1.3541
545	E	A	-2.5483
546	N	A	-2.3646
547	G	A	-1.5125
548	Q	A	-1.1469
549	R	A	-0.4701
550	W	A	0.0000
551	F	A	0.0000
552	C	A	-0.4670
553	T	A	0.0000
554	G	A	-0.7722
555	D	A	0.0000
556	I	A	0.0000
557	G	A	0.0000
558	E	A	-0.5115
559	F	A	0.0000
560	H	A	-0.5915
561	P	A	-0.5699
562	D	A	-0.6744
563	G	A	0.0000
564	C	A	0.0000
565	L	A	0.0000
566	Q	A	-0.2607
567	I	A	0.0430
568	I	A	-0.1297
569	D	A	-0.9472
570	R	A	-1.5946
571	K	A	-1.9169
572	K	A	-2.2705
573	D	A	-1.6473
574	L	A	-1.1190
575	V	A	0.0000
576	K	A	-2.1401
577	L	A	0.0000
578	Q	A	-2.5095
579	A	A	-1.2167
580	G	A	-1.3480
581	E	A	-1.0960
582	Y	A	-0.5563
583	V	A	0.0000
584	S	A	0.0000
585	L	A	0.0000
586	G	A	-0.8620
587	K	A	-1.1937
588	V	A	0.0000
589	E	A	0.0000
590	A	A	-0.6505
591	A	A	-0.6551
592	L	A	0.0000
593	K	A	-0.7578
594	N	A	-0.8394
595	C	A	0.0000
596	P	A	-0.6437
597	L	A	0.0000
598	I	A	0.0000
599	D	A	-1.5375
600	N	A	-0.7969
601	I	A	0.0000
602	C	A	0.0000
603	A	A	0.0000
604	F	A	-0.1823
605	A	A	-0.7824
606	K	A	-1.9136
607	S	A	-2.3463
608	D	A	-2.8644
609	Q	A	-1.9661
610	S	A	-1.3252
611	Y	A	-0.5600
612	V	A	0.0000
613	I	A	0.0000
614	S	A	0.0000
615	F	A	0.0000
616	V	A	0.0000
617	V	A	0.0000
618	P	A	0.0000
619	N	A	-1.7982
620	Q	A	-2.1637
621	K	A	-2.1387
622	R	A	-1.1586
623	L	A	0.0000
624	T	A	-1.0163
625	L	A	0.1032
626	L	A	-0.5819
627	A	A	0.0000
628	Q	A	-2.0109
629	Q	A	-1.8403
630	K	A	-2.0840
631	G	A	-2.0888
632	V	A	-1.8766
633	E	A	-2.6929
634	G	A	-1.7343
635	T	A	-0.5937
636	W	A	-0.2553
637	V	A	0.4430
638	D	A	-1.3467
639	I	A	0.0000
640	C	A	0.0000
641	N	A	-1.1360
642	N	A	-1.2208
643	P	A	-0.8632
644	A	A	-0.5497
645	M	A	0.0000
646	E	A	-0.9577
647	A	A	-0.8309
648	E	A	-1.3463
649	I	A	0.0000
650	L	A	-1.3512
651	K	A	-2.5719
652	E	A	-2.2110
653	I	A	0.0000
654	R	A	-2.2928
655	E	A	-2.9058
656	A	A	-1.7059
657	A	A	0.0000
658	N	A	-2.3446
659	A	A	-1.0053
660	M	A	-0.8559
661	K	A	-2.4778
662	L	A	0.0000
663	E	A	-3.0375
664	R	A	-2.7570
665	F	A	-0.9770
666	E	A	0.0000
667	I	A	0.0000
668	P	A	0.0000
669	I	A	0.2259
670	K	A	-0.3566
671	V	A	0.0000
672	R	A	-0.7745
673	L	A	0.0000
674	S	A	0.0000
675	P	A	-0.4536
676	E	A	-0.7570
677	P	A	-0.9241
678	W	A	0.0000
679	T	A	-0.8127
680	P	A	-1.0420
681	E	A	-1.9957
682	T	A	-1.2487
683	G	A	-1.0532
684	L	A	0.0000
685	V	A	0.0000
686	T	A	0.0000
687	D	A	0.0000
688	A	A	0.0000
689	F	A	0.0709
690	K	A	-0.6478
691	L	A	-0.5305
692	K	A	-1.1348
693	R	A	-1.5336
694	K	A	-2.0931
695	E	A	-1.8131
696	L	A	0.0000
697	R	A	-1.9821
698	N	A	-1.7534
699	H	A	-1.6248
700	Y	A	0.0000
701	L	A	-1.5994
702	K	A	-2.8161
703	D	A	-2.2737
704	I	A	0.0000
705	E	A	-3.4565
706	R	A	-3.1607
707	M	A	0.0000
708	Y	A	-1.8475
709	G	A	-2.0285
710	G	A	-2.7921
711	K	A	-2.4620

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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
IR26A	-1.2475	-0.0181	View	CSV	PDB
IR28A	-0.6963	-0.0239	View	CSV	PDB
IK28A	-0.3918	-0.023	View	CSV	PDB
LR25A	-0.1127	-0.0243	View	CSV	PDB
IK11A	-0.2401	-0.02	View	CSV	PDB
IR11A	-0.0125	-0.0257	View	CSV	PDB
IK26A	-0.093	-0.0168	View	CSV	PDB
LK25A	0.2692	-0.0199	View	CSV	PDB
IR21A	0.4457	-0.0212	View	CSV	PDB
IK21A	0.5761	-0.0181	View	CSV	PDB
FR27A	0.7685	-0.0157	View	CSV	PDB
FK27A	1.1567	-0.0097	View	CSV	PDB

Project name: hACSL4_FL

Status: done

Started: 2025-11-19 12:37:23

Automated mutations analysis

Mutant

Energetic effect

Score comparison