Aggrescan3D: 9260cf9de8e26c9

Project name: 9260cf9de8e26c9

Status: done

Started: 2026-01-20 13:24:21

Settings

Chain sequence(s)	A: QNYTRSTDNQAMIKDALQSIQQQIKALTDKIGTEIGPKVSLIDTSSTITIPANIGLLGSKISQSTSSINENVNEKCKFTLPPLKIHECNISCPNPLPFREYRPITEGVSDLVGLPNKICLQKTTNPILKPKLISYTLPVDGRGGICITDPLLAMDDGFFAYSHLEKIGSCTRGVSKQRIIGVGEVLDRGDKVPSLFMTNVWTPPNPNTVHHCSSVYHNEFYYVLCAVSNVGDPILNSTYWSESLMMIRLAVKPKSDGGGYNQYYIALRNIERGKYDKVMPYGPSGIKQGDTLYFPAVGFLARTEFKYNDSNCPIINCQYSKAENCRLSMGIKPKSHYILRSGLLKYNLSDGEDSKIQFIEIADNRLSIGSPSKIYNSLGQPVFYQASFSWDTMIKFGDVETVNPLIVNWRNNTVISRPGQSQCPRFNTCPEVCWEGTYNDAFLIDRINWISAGVFLDSNQTAENPVFTVFKDNEILYRAQLADEDTNAQKTITNCFLLKNEIWCISLVEIYDTGDNVIRPKLFAVKIPEQC 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                                          (00:12:52)
[INFO]       Auto_mut: Residue number 50 from chain A and a score of 2.504 (isoleucine) selected   
                       for automated muatation                                                     (00:12:58)
[INFO]       Auto_mut: Residue number 54 from chain A and a score of 2.352 (isoleucine) selected   
                       for automated muatation                                                     (00:12:58)
[INFO]       Auto_mut: Residue number 48 from chain A and a score of 2.077 (isoleucine) selected   
                       for automated muatation                                                     (00:12:58)
[INFO]       Auto_mut: Residue number 80 from chain A and a score of 1.986 (leucine) selected for  
                       automated muatation                                                         (00:12:58)
[INFO]       Auto_mut: Residue number 51 from chain A and a score of 1.890 (proline) selected for  
                       automated muatation                                                         (00:12:58)
[INFO]       Auto_mut: Residue number 56 from chain A and a score of 1.814 (leucine) selected for  
                       automated muatation                                                         (00:12:58)
[INFO]       Auto_mut: Mutating residue number 50 from chain A (isoleucine) into glutamic acid     (00:12:58)
[INFO]       Auto_mut: Mutating residue number 50 from chain A (isoleucine) into aspartic acid     (00:12:58)
[INFO]       Auto_mut: Mutating residue number 54 from chain A (isoleucine) into glutamic acid     (00:12:58)
[INFO]       Auto_mut: Mutating residue number 50 from chain A (isoleucine) into lysine            (00:18:07)
[INFO]       Auto_mut: Mutating residue number 50 from chain A (isoleucine) into arginine          (00:18:08)
[INFO]       Auto_mut: Mutating residue number 54 from chain A (isoleucine) into lysine            (00:18:14)
[INFO]       Auto_mut: Mutating residue number 54 from chain A (isoleucine) into aspartic acid     (00:23:38)
[INFO]       Auto_mut: Mutating residue number 48 from chain A (isoleucine) into glutamic acid     (00:23:41)
[INFO]       Auto_mut: Mutating residue number 48 from chain A (isoleucine) into aspartic acid     (00:23:57)
[INFO]       Auto_mut: Mutating residue number 48 from chain A (isoleucine) into lysine            (00:28:48)
[INFO]       Auto_mut: Mutating residue number 54 from chain A (isoleucine) into arginine          (00:28:55)
[INFO]       Auto_mut: Mutating residue number 48 from chain A (isoleucine) into arginine          (00:29:14)
[INFO]       Auto_mut: Mutating residue number 80 from chain A (leucine) into glutamic acid        (00:34:05)
[INFO]       Auto_mut: Mutating residue number 80 from chain A (leucine) into aspartic acid        (00:34:13)
[INFO]       Auto_mut: Mutating residue number 51 from chain A (proline) into glutamic acid        (00:34:23)
[INFO]       Auto_mut: Mutating residue number 80 from chain A (leucine) into arginine             (00:39:17)
[INFO]       Auto_mut: Mutating residue number 80 from chain A (leucine) into lysine               (00:39:28)
[INFO]       Auto_mut: Mutating residue number 51 from chain A (proline) into lysine               (00:39:45)
[INFO]       Auto_mut: Mutating residue number 51 from chain A (proline) into aspartic acid        (00:44:26)
[INFO]       Auto_mut: Mutating residue number 56 from chain A (leucine) into glutamic acid        (00:44:47)
[INFO]       Auto_mut: Mutating residue number 56 from chain A (leucine) into aspartic acid        (00:45:06)
[INFO]       Auto_mut: Mutating residue number 51 from chain A (proline) into arginine             (00:49:46)
[INFO]       Auto_mut: Mutating residue number 56 from chain A (leucine) into lysine               (00:50:20)
[INFO]       Auto_mut: Mutating residue number 56 from chain A (leucine) into arginine             (00:50:22)
[INFO]       Auto_mut: Effect of mutation residue number 50 from chain A (isoleucine) into         
                       glutamic acid: Energy difference: 0.3579 kcal/mol, Difference in average    
                       score from the base case: -0.0277                                           (00:56:11)
[INFO]       Auto_mut: Effect of mutation residue number 50 from chain A (isoleucine) into lysine: 
                       Energy difference: -0.2792 kcal/mol, Difference in average score from the   
                       base case: -0.0252                                                          (00:56:11)
[INFO]       Auto_mut: Effect of mutation residue number 50 from chain A (isoleucine) into         
                       aspartic acid: Energy difference: 0.6794 kcal/mol, Difference in average    
                       score from the base case: -0.0275                                           (00:56:11)
[INFO]       Auto_mut: Effect of mutation residue number 50 from chain A (isoleucine) into         
                       arginine: Energy difference: -0.6737 kcal/mol, Difference in average score  
                       from the base case: -0.0298                                                 (00:56:11)
[INFO]       Auto_mut: Effect of mutation residue number 54 from chain A (isoleucine) into         
                       glutamic acid: Energy difference: 0.1766 kcal/mol, Difference in average    
                       score from the base case: -0.0273                                           (00:56:11)
[INFO]       Auto_mut: Effect of mutation residue number 54 from chain A (isoleucine) into lysine: 
                       Energy difference: -0.0287 kcal/mol, Difference in average score from the   
                       base case: -0.0299                                                          (00:56:11)
[INFO]       Auto_mut: Effect of mutation residue number 54 from chain A (isoleucine) into         
                       aspartic acid: Energy difference: 0.5241 kcal/mol, Difference in average    
                       score from the base case: -0.0272                                           (00:56:11)
[INFO]       Auto_mut: Effect of mutation residue number 54 from chain A (isoleucine) into         
                       arginine: Energy difference: -0.0121 kcal/mol, Difference in average score  
                       from the base case: -0.0332                                                 (00:56:11)
[INFO]       Auto_mut: Effect of mutation residue number 48 from chain A (isoleucine) into         
                       glutamic acid: Energy difference: 0.5238 kcal/mol, Difference in average    
                       score from the base case: -0.0267                                           (00:56:11)
[INFO]       Auto_mut: Effect of mutation residue number 48 from chain A (isoleucine) into lysine: 
                       Energy difference: -0.1215 kcal/mol, Difference in average score from the   
                       base case: -0.0258                                                          (00:56:11)
[INFO]       Auto_mut: Effect of mutation residue number 48 from chain A (isoleucine) into         
                       aspartic acid: Energy difference: 1.2304 kcal/mol, Difference in average    
                       score from the base case: -0.0266                                           (00:56:11)
[INFO]       Auto_mut: Effect of mutation residue number 48 from chain A (isoleucine) into         
                       arginine: Energy difference: -0.5540 kcal/mol, Difference in average score  
                       from the base case: -0.0268                                                 (00:56:11)
[INFO]       Auto_mut: Effect of mutation residue number 80 from chain A (leucine) into glutamic   
                       acid: Energy difference: 0.3373 kcal/mol, Difference in average score from  
                       the base case: -0.0104                                                      (00:56:11)
[INFO]       Auto_mut: Effect of mutation residue number 80 from chain A (leucine) into lysine:    
                       Energy difference: 0.3481 kcal/mol, Difference in average score from the    
                       base case: -0.0150                                                          (00:56:11)
[INFO]       Auto_mut: Effect of mutation residue number 80 from chain A (leucine) into aspartic   
                       acid: Energy difference: 0.6832 kcal/mol, Difference in average score from  
                       the base case: -0.0211                                                      (00:56:11)
[INFO]       Auto_mut: Effect of mutation residue number 80 from chain A (leucine) into arginine:  
                       Energy difference: 0.4200 kcal/mol, Difference in average score from the    
                       base case: -0.0213                                                          (00:56:11)
[INFO]       Auto_mut: Effect of mutation residue number 51 from chain A (proline) into glutamic   
                       acid: Energy difference: 2.5145 kcal/mol, Difference in average score from  
                       the base case: -0.0134                                                      (00:56:11)
[INFO]       Auto_mut: Effect of mutation residue number 51 from chain A (proline) into lysine:    
                       Energy difference: 1.6528 kcal/mol, Difference in average score from the    
                       base case: -0.0126                                                          (00:56:11)
[INFO]       Auto_mut: Effect of mutation residue number 51 from chain A (proline) into aspartic   
                       acid: Energy difference: 2.7385 kcal/mol, Difference in average score from  
                       the base case: -0.0126                                                      (00:56:11)
[INFO]       Auto_mut: Effect of mutation residue number 51 from chain A (proline) into arginine:  
                       Energy difference: 1.3149 kcal/mol, Difference in average score from the    
                       base case: -0.0128                                                          (00:56:11)
[INFO]       Auto_mut: Effect of mutation residue number 56 from chain A (leucine) into glutamic   
                       acid: Energy difference: 0.2773 kcal/mol, Difference in average score from  
                       the base case: -0.0190                                                      (00:56:11)
[INFO]       Auto_mut: Effect of mutation residue number 56 from chain A (leucine) into lysine:    
                       Energy difference: -0.3500 kcal/mol, Difference in average score from the   
                       base case: -0.0154                                                          (00:56:11)
[INFO]       Auto_mut: Effect of mutation residue number 56 from chain A (leucine) into aspartic   
                       acid: Energy difference: 0.7162 kcal/mol, Difference in average score from  
                       the base case: -0.0211                                                      (00:56:11)
[INFO]       Auto_mut: Effect of mutation residue number 56 from chain A (leucine) into arginine:  
                       Energy difference: 0.1092 kcal/mol, Difference in average score from the    
                       base case: -0.0253                                                          (00:56:11)
[INFO]       Main:     Simulation completed successfully.                                          (00:56:25)

Note Your prediction results will be deleted after 360 days.

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Show buried residues

Minimal score value: -4.076
Maximal score value: 2.504
Average score: -0.6195
Total score value: -328.9342

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	Q	A	-1.8012
2	N	A	-1.8267
3	Y	A	-0.4844
4	T	A	-1.6636
5	R	A	-3.2359
6	S	A	-2.2712
7	T	A	-1.9909
8	D	A	-3.0479
9	N	A	-2.8066
10	Q	A	-2.5498
11	A	A	-1.6395
12	M	A	-0.8067
13	I	A	-0.4901
14	K	A	-1.9769
15	D	A	-1.8996
16	A	A	-0.3484
17	L	A	0.2650
18	Q	A	-1.4659
19	S	A	-1.0404
20	I	A	0.2519
21	Q	A	-1.0338
22	Q	A	-1.7834
23	Q	A	-1.2902
24	I	A	-0.3688
25	K	A	-1.9279
26	A	A	-1.3199
27	L	A	-0.3570
28	T	A	-1.0413
29	D	A	-2.3385
30	K	A	-1.5773
31	I	A	-0.3595
32	G	A	-1.2335
33	T	A	-1.6370
34	E	A	-2.1799
35	I	A	-0.4654
36	G	A	-0.3356
37	P	A	-0.4767
38	K	A	-0.5613
39	V	A	0.7277
40	S	A	0.3983
41	L	A	1.3987
42	I	A	1.4817
43	D	A	-0.3105
44	T	A	0.8597
45	S	A	1.4003
46	S	A	0.8571
47	T	A	0.8757
48	I	A	2.0770
49	T	A	1.7648
50	I	A	2.5040
51	P	A	1.8904
52	A	A	1.5728
53	N	A	1.4893
54	I	A	2.3520
55	G	A	1.2627
56	L	A	1.8139
57	L	A	1.7915
58	G	A	0.8102
59	S	A	-0.0110
60	K	A	-0.5306
61	I	A	0.9384
62	S	A	-0.0778
63	Q	A	-1.1965
64	S	A	-0.4966
65	T	A	-0.2726
66	S	A	-0.7946
67	S	A	-0.4975
68	I	A	0.3071
69	N	A	-1.8001
70	E	A	-2.8364
71	N	A	-1.9661
72	V	A	-1.0504
73	N	A	-2.7215
74	E	A	-3.5257
75	K	A	-2.9676
76	C	A	-1.1848
77	K	A	-1.2994
78	F	A	1.2247
79	T	A	1.1624
80	L	A	1.9858
81	P	A	0.8122
82	P	A	0.5787
83	L	A	1.2668
84	K	A	-0.6917
85	I	A	0.8392
86	H	A	-1.2794
87	E	A	-1.8475
88	C	A	-0.0532
89	N	A	-0.5046
90	I	A	1.4756
91	S	A	0.5372
92	C	A	0.5551
93	P	A	0.0166
94	N	A	-0.9188
95	P	A	0.1612
96	L	A	0.7086
97	P	A	0.2233
98	F	A	0.8018
99	R	A	-1.7811
100	E	A	-2.2832
101	Y	A	-1.3159
102	R	A	-1.8991
103	P	A	-0.3743
104	I	A	0.8714
105	T	A	-0.4313
106	E	A	-1.4980
107	G	A	-1.5447
108	V	A	0.0000
109	S	A	-1.1394
110	D	A	-0.5822
111	L	A	0.0000
112	V	A	1.6123
113	G	A	0.9621
114	L	A	1.6727
115	P	A	0.3747
116	N	A	-1.3475
117	K	A	-1.9691
118	I	A	0.0000
119	C	A	-1.0099
120	L	A	-1.0090
121	Q	A	-1.6806
122	K	A	-2.5118
123	T	A	-1.4175
124	T	A	-1.2170
125	N	A	-1.2868
126	P	A	-0.5796
127	I	A	1.1773
128	L	A	-0.2082
129	K	A	-1.6977
130	P	A	0.0000
131	K	A	-1.0146
132	L	A	0.2424
133	I	A	0.0000
134	S	A	0.0728
135	Y	A	0.4384
136	T	A	0.3716
137	L	A	0.4277
138	P	A	0.4629
139	V	A	-0.0884
140	D	A	-0.9878
141	G	A	-1.5278
142	R	A	-2.4448
143	G	A	-1.8517
144	G	A	-1.5573
145	I	A	0.0000
146	C	A	0.0000
147	I	A	0.0000
148	T	A	-0.3149
149	D	A	-0.4092
150	P	A	0.0000
151	L	A	0.0000
152	L	A	0.0000
153	A	A	0.0000
154	M	A	-0.3687
155	D	A	-1.1438
156	D	A	-2.1074
157	G	A	0.0000
158	F	A	0.0000
159	F	A	0.0000
160	A	A	0.0000
161	Y	A	0.0000
162	S	A	0.0000
163	H	A	0.0000
164	L	A	0.0000
165	E	A	0.0000
166	K	A	0.0545
167	I	A	0.6849
168	G	A	-0.2378
169	S	A	-0.6135
170	C	A	-0.4146
171	T	A	-0.7161
172	R	A	-1.4813
173	G	A	-0.0846
174	V	A	1.1108
175	S	A	-0.0730
176	K	A	-0.5713
177	Q	A	-0.9105
178	R	A	0.0000
179	I	A	0.0000
180	I	A	0.0000
181	G	A	0.0000
182	V	A	0.0000
183	G	A	0.0000
184	E	A	0.0000
185	V	A	0.0000
186	L	A	-0.5228
187	D	A	-2.1524
188	R	A	-2.9324
189	G	A	-2.5685
190	D	A	-3.0500
191	K	A	-2.5689
192	V	A	-1.6120
193	P	A	0.0000
194	S	A	0.0000
195	L	A	0.0000
196	F	A	0.6993
197	M	A	0.7079
198	T	A	0.5622
199	N	A	0.0000
200	V	A	1.3516
201	W	A	0.5941
202	T	A	-0.0944
203	P	A	0.0000
204	P	A	-1.0155
205	N	A	-1.8856
206	P	A	-1.3259
207	N	A	-1.5700
208	T	A	0.0000
209	V	A	0.0000
210	H	A	0.0000
211	H	A	-0.2167
212	C	A	0.0000
213	S	A	0.0000
214	S	A	0.0000
215	V	A	0.0000
216	Y	A	0.0000
217	H	A	-1.8069
218	N	A	-2.0777
219	E	A	-1.9600
220	F	A	-1.0865
221	Y	A	0.0000
222	Y	A	0.0000
223	V	A	0.0000
224	L	A	0.0000
225	C	A	0.0000
226	A	A	0.0000
227	V	A	-0.2761
228	S	A	0.0000
229	N	A	-1.1417
230	V	A	0.3894
231	G	A	0.0293
232	D	A	-0.2972
233	P	A	0.0000
234	I	A	0.0000
235	L	A	1.2616
236	N	A	0.6224
237	S	A	0.4613
238	T	A	0.5509
239	Y	A	1.3148
240	W	A	0.0000
241	S	A	-0.1468
242	E	A	0.0000
243	S	A	-0.0869
244	L	A	0.0778
245	M	A	0.0000
246	M	A	0.0000
247	I	A	0.0000
248	R	A	-0.1253
249	L	A	0.0000
250	A	A	0.0000
251	V	A	0.0000
252	K	A	-1.3388
253	P	A	-1.5532
254	K	A	-2.3687
255	S	A	-1.8720
256	D	A	-2.4539
257	G	A	-1.9130
258	G	A	-1.7026
259	G	A	-1.1278
260	Y	A	-0.7541
261	N	A	-1.1240
262	Q	A	-0.2491
263	Y	A	1.0612
264	Y	A	1.1889
265	I	A	0.2365
266	A	A	-0.6570
267	L	A	-1.4669
268	R	A	-2.9849
269	N	A	-3.2538
270	I	A	-2.0899
271	E	A	-2.9442
272	R	A	-2.6927
273	G	A	-2.4694
274	K	A	-2.8773
275	Y	A	0.0000
276	D	A	-2.1546
277	K	A	-1.4797
278	V	A	0.0000
279	M	A	0.0000
280	P	A	0.0000
281	Y	A	0.0000
282	G	A	0.0000
283	P	A	0.0000
284	S	A	0.0000
285	G	A	0.0000
286	I	A	0.0000
287	K	A	-2.0512
288	Q	A	-2.1966
289	G	A	-1.9690
290	D	A	-2.5294
291	T	A	-1.8511
292	L	A	0.0000
293	Y	A	0.0000
294	F	A	0.0000
295	P	A	0.0000
296	A	A	0.0000
297	V	A	0.0000
298	G	A	0.0000
299	F	A	0.0000
300	L	A	0.0000
301	A	A	-1.4472
302	R	A	-1.5235
303	T	A	-1.3931
304	E	A	-2.4300
305	F	A	-1.5344
306	K	A	-2.4570
307	Y	A	-2.2108
308	N	A	-2.7928
309	D	A	-3.0778
310	S	A	-1.8731
311	N	A	-2.2384
312	C	A	0.0000
313	P	A	-0.2522
314	I	A	0.4314
315	I	A	1.4803
316	N	A	-0.2458
317	C	A	-0.1508
318	Q	A	-0.6101
319	Y	A	0.3264
320	S	A	0.0000
321	K	A	-2.0823
322	A	A	-2.0604
323	E	A	-2.5422
324	N	A	-1.2912
325	C	A	0.0000
326	R	A	-1.3904
327	L	A	-0.6637
328	S	A	0.0000
329	M	A	0.0000
330	G	A	0.0000
331	I	A	-0.5108
332	K	A	-1.9165
333	P	A	-1.5789
334	K	A	-2.4175
335	S	A	-1.6118
336	H	A	-1.5384
337	Y	A	0.0000
338	I	A	0.0000
339	L	A	0.0000
340	R	A	-0.5413
341	S	A	0.0000
342	G	A	0.0000
343	L	A	0.0000
344	L	A	0.0000
345	K	A	-1.2632
346	Y	A	0.0000
347	N	A	-2.2215
348	L	A	-1.6348
349	S	A	-1.9114
350	D	A	-3.2527
351	G	A	-2.6720
352	E	A	-3.7741
353	D	A	-4.0760
354	S	A	0.0000
355	K	A	-3.4350
356	I	A	0.0000
357	Q	A	-2.0654
358	F	A	0.0000
359	I	A	0.0000
360	E	A	-1.6383
361	I	A	0.0000
362	A	A	-0.7600
363	D	A	-1.2231
364	N	A	-1.8070
365	R	A	-1.4586
366	L	A	-0.8941
367	S	A	-0.4763
368	I	A	0.0000
369	G	A	0.0000
370	S	A	0.0000
371	P	A	-0.0037
372	S	A	0.0000
373	K	A	0.0000
374	I	A	0.0000
375	Y	A	0.0000
376	N	A	-0.7942
377	S	A	0.0000
378	L	A	0.5005
379	G	A	-0.1891
380	Q	A	-0.9018
381	P	A	-0.9344
382	V	A	0.0000
383	F	A	0.0000
384	Y	A	0.0000
385	Q	A	0.0000
386	A	A	0.0000
387	S	A	0.0000
388	F	A	0.1669
389	S	A	0.0000
390	W	A	0.0000
391	D	A	-0.2819
392	T	A	0.0000
393	M	A	0.0561
394	I	A	0.0000
395	K	A	0.0000
396	F	A	0.0000
397	G	A	0.0000
398	D	A	-1.1974
399	V	A	0.0000
400	E	A	-2.1446
401	T	A	-1.2114
402	V	A	-1.0750
403	N	A	-1.6572
404	P	A	-1.2398
405	L	A	0.0000
406	I	A	-0.6453
407	V	A	0.0000
408	N	A	-1.6998
409	W	A	-1.0297
410	R	A	-1.4508
411	N	A	-1.8835
412	N	A	0.0000
413	T	A	-0.8744
414	V	A	-0.5486
415	I	A	0.0000
416	S	A	0.0000
417	R	A	0.0000
418	P	A	0.0000
419	G	A	0.0000
420	Q	A	-2.3732
421	S	A	-1.7734
422	Q	A	-1.5855
423	C	A	0.0000
424	P	A	-1.5725
425	R	A	-1.1475
426	F	A	0.5596
427	N	A	-0.0352
428	T	A	-0.0976
429	C	A	-0.0779
430	P	A	0.0000
431	E	A	0.0000
432	V	A	-0.3396
433	C	A	0.0000
434	W	A	-0.2872
435	E	A	-0.3546
436	G	A	-0.5635
437	T	A	0.0000
438	Y	A	0.0000
439	N	A	0.0000
440	D	A	0.0000
441	A	A	0.0000
442	F	A	0.0000
443	L	A	0.0000
444	I	A	0.0000
445	D	A	0.0000
446	R	A	0.6756
447	I	A	1.6593
448	N	A	0.0130
449	W	A	0.1343
450	I	A	0.0000
451	S	A	0.0000
452	A	A	0.0000
453	G	A	0.0000
454	V	A	0.0000
455	F	A	0.0000
456	L	A	0.0000
457	D	A	-1.5061
458	S	A	-1.8798
459	N	A	-2.2452
460	Q	A	-2.6340
461	T	A	-1.7924
462	A	A	-1.4418
463	E	A	-2.3528
464	N	A	0.0000
465	P	A	0.0000
466	V	A	0.0000
467	F	A	0.0000
468	T	A	0.0000
469	V	A	0.0000
470	F	A	0.0000
471	K	A	-1.6435
472	D	A	-1.9093
473	N	A	-2.3459
474	E	A	-2.3653
475	I	A	-1.1365
476	L	A	-1.2480
477	Y	A	0.0000
478	R	A	-1.2576
479	A	A	-1.1225
480	Q	A	-2.2021
481	L	A	-1.3508
482	A	A	-1.9546
483	D	A	-3.5441
484	E	A	-3.9871
485	D	A	-3.5157
486	T	A	-2.5951
487	N	A	-2.0316
488	A	A	0.0000
489	Q	A	-0.7541
490	K	A	-0.4522
491	T	A	0.0000
492	I	A	0.0000
493	T	A	0.0000
494	N	A	0.0000
495	C	A	0.0000
496	F	A	0.0000
497	L	A	-0.7242
498	L	A	0.0000
499	K	A	-2.3784
500	N	A	-2.0286
501	E	A	-1.6122
502	I	A	0.0000
503	W	A	0.0000
504	C	A	0.0000
505	I	A	0.0000
506	S	A	0.0000
507	L	A	0.0000
508	V	A	0.0000
509	E	A	0.0000
510	I	A	0.0000
511	Y	A	-1.3591
512	D	A	-2.2782
513	T	A	-1.9303
514	G	A	-2.0162
515	D	A	-3.0754
516	N	A	-2.6014
517	V	A	-1.6521
518	I	A	0.0000
519	R	A	-0.8737
520	P	A	0.0000
521	K	A	-0.2791
522	L	A	0.0000
523	F	A	0.0000
524	A	A	0.0000
525	V	A	0.0000
526	K	A	-0.9187
527	I	A	0.0000
528	P	A	-1.0324
529	E	A	-2.1444
530	Q	A	-1.7582
531	C	A	-0.3601

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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
IR50A	-0.6737	-0.0298	View	CSV	PDB
IR48A	-0.554	-0.0268	View	CSV	PDB
IK50A	-0.2792	-0.0252	View	CSV	PDB
IR54A	-0.0121	-0.0332	View	CSV	PDB
IK48A	-0.1215	-0.0258	View	CSV	PDB
IK54A	-0.0287	-0.0299	View	CSV	PDB
LK56A	-0.35	-0.0154	View	CSV	PDB
LR56A	0.1092	-0.0253	View	CSV	PDB
LR80A	0.42	-0.0213	View	CSV	PDB
LK80A	0.3481	-0.015	View	CSV	PDB
PR51A	1.3149	-0.0128	View	CSV	PDB
PK51A	1.6528	-0.0126	View	CSV	PDB

Project name: 9260cf9de8e26c9

Status: done

Started: 2026-01-20 13:24:21

Automated mutations analysis

Mutant

Energetic effect

Score comparison