Aggrescan3D: PB1

Project name: PB1

Status: done

Started: 2024-04-19 10:57:49

Settings

Chain sequence(s)	A: MCAAAATVNVELALKEIVKATIAKAFPLVPAQEPLITLGKVSEYQCNNAMGLVKVLSQQQQPIKMSPQMVGEELKKNLVGNDIIDEFEPTPKGFINVSIRKEWVARMVKEVLKQGIRPPVVTKQRVLVDFSAPNIAKEMHVGHLRSTIIGESISRLLEFCQHDVARINHIGDWGTAFGMLILYIKRNFPDYTTNPPDISDLTAFYRAAKKCFDEDQEFKEKARLEVVKLQALEEDSIQAWKYICDVSREEFDKVYTRLGATIEERGESFYNPLIPKVLDLLEEAGQIEVSDGAKLIVSKEARKLDSLDARDMTKLASQHLALVSRDGPSYHPNLLAAMKKAGILTGTEGEESVALSKKEVKPWNKFDIRVDLDKLMAQLAPLYKKQLDPLFLEVFEAAGIVKGDSILVPRFSFPLMVVKSDGGYTYDTTDVTATYHRFVIEKMNRVIYCTDLGQYEHFRMCMQTAKDMGWMEHATWDHAGFGLVTGADGKKIKTRSGETVKLKDLMDEAVERSLAILKEREAGERSQGHSEEEMQKLSNIIGIGAIKYFDLKQTRTGDYAFSYDKMLDMSGNTAVFLLYQYARICSIKRKAGIADEELLEITDISLETPQEKSLALCALRFQTVILKTVEDLFPHHLADFAYELMTNFSNFFQNCRVLDDPLQNSRLCLVELTRITLKKTLELLNIETAERI input PDB
Selected Chain(s)	A
Distance of aggregation	5 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                                          (00:11:21)
[INFO]       Auto_mut: Residue number 323 from chain A and a score of 1.907 (valine) selected for  
                       automated muatation                                                         (00:11:27)
[INFO]       Auto_mut: Residue number 120 from chain A and a score of 1.884 (valine) selected for  
                       automated muatation                                                         (00:11:27)
[INFO]       Auto_mut: Residue number 413 from chain A and a score of 1.825 (phenylalanine)        
                       selected for automated muatation                                            (00:11:27)
[INFO]       Auto_mut: Residue number 227 from chain A and a score of 1.636 (valine) selected for  
                       automated muatation                                                         (00:11:27)
[INFO]       Auto_mut: Residue number 360 from chain A and a score of 1.618 (valine) selected for  
                       automated muatation                                                         (00:11:27)
[INFO]       Auto_mut: Residue number 232 from chain A and a score of 1.473 (leucine) selected for 
                       automated muatation                                                         (00:11:27)
[INFO]       Auto_mut: Mutating residue number 323 from chain A (valine) into glutamic acid        (00:11:27)
[INFO]       Auto_mut: Mutating residue number 323 from chain A (valine) into aspartic acid        (00:11:27)
[INFO]       Auto_mut: Mutating residue number 120 from chain A (valine) into glutamic acid        (00:11:27)
[INFO]       Auto_mut: Mutating residue number 323 from chain A (valine) into arginine             (00:16:48)
[INFO]       Auto_mut: Mutating residue number 120 from chain A (valine) into lysine               (00:16:52)
[INFO]       Auto_mut: Mutating residue number 323 from chain A (valine) into lysine               (00:16:54)
[INFO]       Auto_mut: Mutating residue number 120 from chain A (valine) into aspartic acid        (00:22:14)
[INFO]       Auto_mut: Mutating residue number 413 from chain A (phenylalanine) into glutamic acid 
                       Mutating residue number 413 from chain A (phenylalanine) into glutamic acid (00:22:26)
[INFO]       Auto_mut: Mutating residue number 413 from chain A (phenylalanine) into aspartic acid 
                       Mutating residue number 413 from chain A (phenylalanine) into aspartic acid (00:22:33)
[INFO]       Auto_mut: Mutating residue number 120 from chain A (valine) into arginine             (00:27:36)
[INFO]       Auto_mut: Mutating residue number 413 from chain A (phenylalanine) into arginine      (00:27:59)
[INFO]       Auto_mut: Mutating residue number 413 from chain A (phenylalanine) into lysine        (00:28:13)
[INFO]       Auto_mut: Mutating residue number 227 from chain A (valine) into glutamic acid        (00:33:03)
[INFO]       Auto_mut: Mutating residue number 227 from chain A (valine) into aspartic acid        (00:33:50)
[INFO]       Auto_mut: Mutating residue number 360 from chain A (valine) into glutamic acid        (00:34:13)
[INFO]       Auto_mut: Mutating residue number 227 from chain A (valine) into lysine               (00:38:31)
[INFO]       Auto_mut: Mutating residue number 227 from chain A (valine) into arginine             (00:39:20)
[INFO]       Auto_mut: Mutating residue number 360 from chain A (valine) into lysine               (00:39:35)
[INFO]       Auto_mut: Mutating residue number 360 from chain A (valine) into aspartic acid        (00:44:14)
[INFO]       Auto_mut: Mutating residue number 232 from chain A (leucine) into glutamic acid       (00:44:45)
[INFO]       Auto_mut: Mutating residue number 232 from chain A (leucine) into aspartic acid       (00:44:57)
[INFO]       Auto_mut: Mutating residue number 360 from chain A (valine) into arginine             (00:49:30)
[INFO]       Auto_mut: Mutating residue number 232 from chain A (leucine) into lysine              (00:50:12)
[INFO]       Auto_mut: Mutating residue number 232 from chain A (leucine) into arginine            (00:50:20)
[INFO]       Auto_mut: Effect of mutation residue number 323 from chain A (valine) into glutamic   
                       acid: Energy difference: 0.6053 kcal/mol, Difference in average score from  
                       the base case: -0.0078                                                      (00:56:09)
[INFO]       Auto_mut: Effect of mutation residue number 323 from chain A (valine) into lysine:    
                       Energy difference: -0.2004 kcal/mol, Difference in average score from the   
                       base case: -0.0074                                                          (00:56:09)
[INFO]       Auto_mut: Effect of mutation residue number 323 from chain A (valine) into aspartic   
                       acid: Energy difference: 0.9164 kcal/mol, Difference in average score from  
                       the base case: -0.0097                                                      (00:56:09)
[INFO]       Auto_mut: Effect of mutation residue number 323 from chain A (valine) into arginine:  
                       Energy difference: 0.4012 kcal/mol, Difference in average score from the    
                       base case: -0.0085                                                          (00:56:09)
[INFO]       Auto_mut: Effect of mutation residue number 120 from chain A (valine) into glutamic   
                       acid: Energy difference: -0.6861 kcal/mol, Difference in average score from 
                       the base case: -0.0074                                                      (00:56:09)
[INFO]       Auto_mut: Effect of mutation residue number 120 from chain A (valine) into lysine:    
                       Energy difference: -0.1522 kcal/mol, Difference in average score from the   
                       base case: -0.0051                                                          (00:56:09)
[INFO]       Auto_mut: Effect of mutation residue number 120 from chain A (valine) into aspartic   
                       acid: Energy difference: -0.2794 kcal/mol, Difference in average score from 
                       the base case: -0.0069                                                      (00:56:09)
[INFO]       Auto_mut: Effect of mutation residue number 120 from chain A (valine) into arginine:  
                       Energy difference: -0.1632 kcal/mol, Difference in average score from the   
                       base case: -0.0075                                                          (00:56:09)
[INFO]       Auto_mut: Effect of mutation residue number 413 from chain A (phenylalanine) into     
                       glutamic acid: Energy difference: 1.5214 kcal/mol, Difference in average    
                       score from the base case: -0.0074                                           (00:56:09)
[INFO]       Auto_mut: Effect of mutation residue number 413 from chain A (phenylalanine) into     
                       lysine: Energy difference: 0.7252 kcal/mol, Difference in average score     
                       from the base case: -0.0063                                                 (00:56:09)
[INFO]       Auto_mut: Effect of mutation residue number 413 from chain A (phenylalanine) into     
                       aspartic acid: Energy difference: 1.9858 kcal/mol, Difference in average    
                       score from the base case: -0.0079                                           (00:56:09)
[INFO]       Auto_mut: Effect of mutation residue number 413 from chain A (phenylalanine) into     
                       arginine: Energy difference: -0.5939 kcal/mol, Difference in average score  
                       from the base case: -0.0045                                                 (00:56:09)
[INFO]       Auto_mut: Effect of mutation residue number 227 from chain A (valine) into glutamic   
                       acid: Energy difference: -0.0811 kcal/mol, Difference in average score from 
                       the base case: -0.0070                                                      (00:56:09)
[INFO]       Auto_mut: Effect of mutation residue number 227 from chain A (valine) into lysine:    
                       Energy difference: -0.6288 kcal/mol, Difference in average score from the   
                       base case: -0.0074                                                          (00:56:09)
[INFO]       Auto_mut: Effect of mutation residue number 227 from chain A (valine) into aspartic   
                       acid: Energy difference: 0.4083 kcal/mol, Difference in average score from  
                       the base case: -0.0079                                                      (00:56:09)
[INFO]       Auto_mut: Effect of mutation residue number 227 from chain A (valine) into arginine:  
                       Energy difference: -0.5708 kcal/mol, Difference in average score from the   
                       base case: -0.0090                                                          (00:56:09)
[INFO]       Auto_mut: Effect of mutation residue number 360 from chain A (valine) into glutamic   
                       acid: Energy difference: 0.3487 kcal/mol, Difference in average score from  
                       the base case: -0.0078                                                      (00:56:09)
[INFO]       Auto_mut: Effect of mutation residue number 360 from chain A (valine) into lysine:    
                       Energy difference: -0.5036 kcal/mol, Difference in average score from the   
                       base case: -0.0077                                                          (00:56:09)
[INFO]       Auto_mut: Effect of mutation residue number 360 from chain A (valine) into aspartic   
                       acid: Energy difference: 0.7576 kcal/mol, Difference in average score from  
                       the base case: -0.0081                                                      (00:56:09)
[INFO]       Auto_mut: Effect of mutation residue number 360 from chain A (valine) into arginine:  
                       Energy difference: -0.6196 kcal/mol, Difference in average score from the   
                       base case: -0.0084                                                          (00:56:09)
[INFO]       Auto_mut: Effect of mutation residue number 232 from chain A (leucine) into glutamic  
                       acid: Energy difference: 0.3599 kcal/mol, Difference in average score from  
                       the base case: -0.0068                                                      (00:56:09)
[INFO]       Auto_mut: Effect of mutation residue number 232 from chain A (leucine) into lysine:   
                       Energy difference: -0.4525 kcal/mol, Difference in average score from the   
                       base case: -0.0061                                                          (00:56:09)
[INFO]       Auto_mut: Effect of mutation residue number 232 from chain A (leucine) into aspartic  
                       acid: Energy difference: 0.7417 kcal/mol, Difference in average score from  
                       the base case: -0.0066                                                      (00:56:09)
[INFO]       Auto_mut: Effect of mutation residue number 232 from chain A (leucine) into arginine: 
                       Energy difference: -0.1329 kcal/mol, Difference in average score from the   
                       base case: -0.0058                                                          (00:56:09)
[INFO]       Main:     Simulation completed successfully.                                          (00:56:21)

Note Your prediction results will be deleted after 360 days.

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Show buried residues

Minimal score value: -2.4349
Maximal score value: 1.907
Average score: -0.3952
Total score value: -273.4744

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	1.1879
2	C	A	0.9358
3	A	A	0.2019
4	A	A	0.0799
5	A	A	0.0799
6	A	A	0.0608
7	T	A	0.0125
8	V	A	0.2579
9	N	A	0.0000
10	V	A	0.0000
11	E	A	0.0000
12	L	A	0.7875
13	A	A	0.1491
14	L	A	0.0000
15	K	A	-1.1597
16	E	A	-1.9345
17	I	A	-0.1294
18	V	A	0.0000
19	K	A	-1.5604
20	A	A	-0.2650
21	T	A	0.0000
22	I	A	0.0000
23	A	A	-0.2464
24	K	A	-1.6883
25	A	A	-0.2988
26	F	A	0.0000
27	P	A	-0.0881
28	L	A	0.8831
29	V	A	0.0000
30	P	A	-0.2443
31	A	A	-0.0294
32	Q	A	-0.5559
33	E	A	-1.8688
34	P	A	-0.2123
35	L	A	0.8685
36	I	A	0.4021
37	T	A	0.1950
38	L	A	0.9480
39	G	A	-0.2535
40	K	A	-1.4013
41	V	A	1.4623
42	S	A	0.2071
43	E	A	-0.4821
44	Y	A	0.0000
45	Q	A	-0.1520
46	C	A	0.0000
47	N	A	-0.2667
48	N	A	0.0000
49	A	A	0.0000
50	M	A	0.4031
51	G	A	-0.0959
52	L	A	0.0000
53	V	A	0.0185
54	K	A	-1.6009
55	V	A	-0.0827
56	L	A	0.0000
57	S	A	-0.2929
58	Q	A	-1.2413
59	Q	A	-0.6435
60	Q	A	-1.4489
61	Q	A	-1.4557
62	P	A	-0.3442
63	I	A	0.3305
64	K	A	-1.5489
65	M	A	-0.1789
66	S	A	-0.1549
67	P	A	-0.2188
68	Q	A	-0.5545
69	M	A	0.5310
70	V	A	0.0000
71	G	A	0.0000
72	E	A	-1.0433
73	E	A	-0.4584
74	L	A	0.0000
75	K	A	-1.6127
76	K	A	-1.9415
77	N	A	-0.3618
78	L	A	0.4308
79	V	A	0.3862
80	G	A	-0.4600
81	N	A	-0.7736
82	D	A	-1.8554
83	I	A	0.0000
84	I	A	0.0000
85	D	A	-2.2057
86	E	A	-2.1469
87	F	A	0.0000
88	E	A	-1.8411
89	P	A	-0.3679
90	T	A	-0.0610
91	P	A	-0.5600
92	K	A	-1.7455
93	G	A	0.0000
94	F	A	0.5360
95	I	A	0.0000
96	N	A	-0.3358
97	V	A	0.0000
98	S	A	-0.2168
99	I	A	0.0000
100	R	A	-1.1063
101	K	A	-1.2095
102	E	A	-1.9325
103	W	A	-0.2155
104	V	A	0.0000
105	A	A	0.0000
106	R	A	-1.8345
107	M	A	0.0000
108	V	A	0.0000
109	K	A	-0.5719
110	E	A	-0.8726
111	V	A	0.0000
112	L	A	0.0000
113	K	A	-1.8357
114	Q	A	-1.0858
115	G	A	-0.2579
116	I	A	-0.1103
117	R	A	-1.8082
118	P	A	-0.3926
119	P	A	0.2885
120	V	A	1.8843
121	V	A	0.9493
122	T	A	-0.2628
123	K	A	-1.7734
124	Q	A	-0.7626
125	R	A	-0.8528
126	V	A	0.0000
127	L	A	0.0000
128	V	A	0.0000
129	D	A	0.0000
130	F	A	0.0000
131	S	A	0.0000
132	A	A	0.0171
133	P	A	0.0000
134	N	A	-0.9668
135	I	A	0.0000
136	A	A	0.0000
137	K	A	-0.7822
138	E	A	0.0000
139	M	A	0.0000
140	H	A	-0.3247
141	V	A	0.0000
142	G	A	-0.1511
143	H	A	-0.1329
144	L	A	0.0000
145	R	A	0.0000
146	S	A	0.0000
147	T	A	0.0000
148	I	A	0.0000
149	I	A	0.0000
150	G	A	0.0000
151	E	A	0.0000
152	S	A	0.0000
153	I	A	0.0000
154	S	A	0.0000
155	R	A	-0.4834
156	L	A	0.0000
157	L	A	0.0000
158	E	A	-0.8584
159	F	A	0.0820
160	C	A	0.0000
161	Q	A	-1.2809
162	H	A	0.0000
163	D	A	-1.1293
164	V	A	0.0613
165	A	A	0.0234
166	R	A	-0.1982
167	I	A	0.0000
168	N	A	0.0000
169	H	A	0.0000
170	I	A	0.0000
171	G	A	-0.2490
172	D	A	0.0000
173	W	A	0.1365
174	G	A	-0.1619
175	T	A	-0.0984
176	A	A	0.0160
177	F	A	0.0000
178	G	A	0.0000
179	M	A	0.0000
180	L	A	0.0000
181	I	A	0.0000
182	L	A	0.0000
183	Y	A	0.1595
184	I	A	0.0000
185	K	A	-0.6870
186	R	A	-1.9801
187	N	A	-0.6220
188	F	A	0.4966
189	P	A	-0.4656
190	D	A	-1.8350
191	Y	A	0.0000
192	T	A	-0.0835
193	T	A	-0.3143
194	N	A	-1.3319
195	P	A	-0.4905
196	P	A	-0.4058
197	D	A	-1.7953
198	I	A	0.0000
199	S	A	-0.3769
200	D	A	-1.6690
201	L	A	0.0000
202	T	A	-0.0059
203	A	A	0.0399
204	F	A	0.0000
205	Y	A	-0.1180
206	R	A	-1.8661
207	A	A	-0.3179
208	A	A	0.0000
209	K	A	-1.0277
210	K	A	-1.5584
211	C	A	0.0144
212	F	A	0.0462
213	D	A	-1.8338
214	E	A	-2.2868
215	D	A	-1.5873
216	Q	A	-1.7781
217	E	A	-2.0345
218	F	A	0.0000
219	K	A	-1.0475
220	E	A	-2.1482
221	K	A	-1.3555
222	A	A	0.0000
223	R	A	-1.3043
224	L	A	1.1395
225	E	A	0.0000
226	V	A	0.6223
227	V	A	1.6360
228	K	A	-0.7387
229	L	A	0.0000
230	Q	A	-0.5583
231	A	A	0.1200
232	L	A	1.4726
233	E	A	-0.5250
234	E	A	-2.2263
235	D	A	-2.1154
236	S	A	0.0000
237	I	A	0.1219
238	Q	A	-0.7286
239	A	A	0.0000
240	W	A	-0.0562
241	K	A	-1.0725
242	Y	A	-0.0263
243	I	A	0.0000
244	C	A	0.0000
245	D	A	-1.3256
246	V	A	-0.0127
247	S	A	0.0000
248	R	A	-0.8934
249	E	A	-1.9435
250	E	A	-0.5809
251	F	A	0.0000
252	D	A	-2.0943
253	K	A	-2.0209
254	V	A	0.0000
255	Y	A	0.0000
256	T	A	-0.1665
257	R	A	-0.3467
258	L	A	0.0000
259	G	A	-0.3580
260	A	A	-0.0704
261	T	A	-0.0117
262	I	A	0.0305
263	E	A	-1.5644
264	E	A	-1.0189
265	R	A	-0.7906
266	G	A	0.0000
267	E	A	-0.2344
268	S	A	0.0889
269	F	A	0.9292
270	Y	A	0.0000
271	N	A	-0.2434
272	P	A	-0.2597
273	L	A	0.1233
274	I	A	0.0000
275	P	A	-0.4136
276	K	A	-1.2468
277	V	A	0.0000
278	L	A	-0.1524
279	D	A	-1.6751
280	L	A	0.1494
281	L	A	0.0000
282	E	A	-2.1287
283	E	A	-2.1382
284	A	A	-0.3777
285	G	A	-0.5190
286	Q	A	-0.3681
287	I	A	-0.1532
288	E	A	-1.4569
289	V	A	1.3660
290	S	A	-0.1057
291	D	A	-1.8920
292	G	A	-0.8150
293	A	A	0.0000
294	K	A	-0.2922
295	L	A	0.1505
296	I	A	0.0000
297	V	A	0.4933
298	S	A	-0.0960
299	K	A	-1.0970
300	E	A	-1.1118
301	A	A	-0.3315
302	R	A	-1.6106
303	K	A	-1.7276
304	L	A	-0.3823
305	D	A	-2.0377
306	S	A	-0.4917
307	L	A	0.0000
308	D	A	-0.4073
309	A	A	-0.3919
310	R	A	-1.8418
311	D	A	0.0000
312	M	A	0.0000
313	T	A	-0.0629
314	K	A	-0.2868
315	L	A	0.0000
316	A	A	0.0000
317	S	A	-0.1916
318	Q	A	-0.8185
319	H	A	-0.3357
320	L	A	0.0000
321	A	A	0.0000
322	L	A	1.4554
323	V	A	1.9070
324	S	A	-0.2127
325	R	A	-2.2029
326	D	A	-2.1422
327	G	A	-0.4837
328	P	A	-0.0706
329	S	A	-0.2145
330	Y	A	0.1386
331	H	A	-0.3641
332	P	A	-0.3462
333	N	A	-0.1932
334	L	A	0.0000
335	L	A	0.3772
336	A	A	0.0734
337	A	A	0.0000
338	M	A	0.0000
339	K	A	-2.0021
340	K	A	-1.9980
341	A	A	-0.3676
342	G	A	-0.4623
343	I	A	0.0000
344	L	A	0.0000
345	T	A	-0.1547
346	G	A	-0.5407
347	T	A	-0.4745
348	E	A	-1.9141
349	G	A	-1.1135
350	E	A	-1.9687
351	E	A	-0.7698
352	S	A	-0.1175
353	V	A	0.0000
354	A	A	0.2624
355	L	A	0.0000
356	S	A	-0.4027
357	K	A	-2.0075
358	K	A	-2.0999
359	E	A	-0.5385
360	V	A	1.6176
361	K	A	-0.0088
362	P	A	-0.1501
363	W	A	-0.0769
364	N	A	-1.5411
365	K	A	-1.9249
366	F	A	0.0000
367	D	A	-0.4764
368	I	A	0.0000
369	R	A	-1.5246
370	V	A	1.4405
371	D	A	0.0000
372	L	A	0.0000
373	D	A	-1.8702
374	K	A	-0.7716
375	L	A	0.0000
376	M	A	0.0000
377	A	A	-0.0471
378	Q	A	-0.4946
379	L	A	0.0000
380	A	A	-0.0393
381	P	A	-0.2270
382	L	A	0.1062
383	Y	A	0.0000
384	K	A	-1.6970
385	K	A	-2.4349
386	Q	A	-1.5075
387	L	A	0.0000
388	D	A	-0.2367
389	P	A	-0.2000
390	L	A	0.2555
391	F	A	0.0000
392	L	A	-0.0426
393	E	A	-1.7643
394	V	A	0.0000
395	F	A	0.0000
396	E	A	-1.8093
397	A	A	-0.2630
398	A	A	-0.0359
399	G	A	-0.4599
400	I	A	0.0000
401	V	A	-0.0641
402	K	A	-1.7415
403	G	A	-1.0960
404	D	A	-1.8786
405	S	A	-0.5647
406	I	A	0.0000
407	L	A	0.2766
408	V	A	0.0000
409	P	A	0.0000
410	R	A	-0.4352
411	F	A	0.1548
412	S	A	0.1763
413	F	A	1.8253
414	P	A	0.2380
415	L	A	0.0000
416	M	A	0.3373
417	V	A	0.0000
418	V	A	0.0000
419	K	A	-0.9970
420	S	A	-0.7671
421	D	A	-1.9104
422	G	A	-0.8184
423	G	A	-0.1581
424	Y	A	0.5761
425	T	A	0.2423
426	Y	A	0.7257
427	D	A	-0.1422
428	T	A	0.0000
429	T	A	0.0000
430	D	A	0.0000
431	V	A	0.0000
432	T	A	0.0000
433	A	A	0.0000
434	T	A	0.0000
435	Y	A	0.0000
436	H	A	-0.0229
437	R	A	0.0000
438	F	A	0.0000
439	V	A	0.8050
440	I	A	0.8741
441	E	A	-1.2363
442	K	A	-1.8986
443	M	A	0.0000
444	N	A	-0.7335
445	R	A	-0.3081
446	V	A	0.0000
447	I	A	0.0000
448	Y	A	0.0000
449	C	A	0.0000
450	T	A	-0.1935
451	D	A	-0.9163
452	L	A	0.3776
453	G	A	-0.4209
454	Q	A	-0.3267
455	Y	A	0.4476
456	E	A	-1.7468
457	H	A	-0.4556
458	F	A	0.0000
459	R	A	-0.8140
460	M	A	0.0000
461	C	A	0.0000
462	M	A	0.0000
463	Q	A	0.0000
464	T	A	0.0000
465	A	A	0.0000
466	K	A	-1.6521
467	D	A	-0.9487
468	M	A	-0.0522
469	G	A	-0.5655
470	W	A	0.0439
471	M	A	0.0000
472	E	A	-1.9958
473	H	A	-1.3117
474	A	A	-0.2731
475	T	A	-0.0304
476	W	A	0.0595
477	D	A	-0.4581
478	H	A	-0.2045
479	A	A	0.0000
480	G	A	0.0000
481	F	A	0.0000
482	G	A	0.0000
483	L	A	0.2893
484	V	A	0.0000
485	T	A	0.0000
486	G	A	-0.0243
487	A	A	-0.2706
488	D	A	-1.8621
489	G	A	-1.0891
490	K	A	-2.0069
491	K	A	-1.4994
492	I	A	-0.3202
493	K	A	-1.6647
494	T	A	-0.6652
495	R	A	-1.8863
496	S	A	-0.5865
497	G	A	-0.4771
498	E	A	-1.0700
499	T	A	-0.1916
500	V	A	0.1112
501	K	A	-0.5176
502	L	A	0.0000
503	K	A	-0.5943
504	D	A	-1.8384
505	L	A	0.0000
506	M	A	0.0000
507	D	A	-1.4244
508	E	A	-2.0175
509	A	A	0.0000
510	V	A	-0.1471
511	E	A	-2.1198
512	R	A	-2.1718
513	S	A	0.0000
514	L	A	0.2050
515	A	A	0.1402
516	I	A	0.4835
517	L	A	0.0000
518	K	A	-1.7402
519	E	A	-2.0762
520	R	A	0.0000
521	E	A	-0.2478
522	A	A	-0.0221
523	G	A	-0.5254
524	E	A	-2.1542
525	R	A	-2.0147
526	S	A	-0.6798
527	Q	A	-1.3036
528	G	A	-0.6810
529	H	A	0.0000
530	S	A	-0.4227
531	E	A	-2.1630
532	E	A	-2.2570
533	E	A	-0.9268
534	M	A	-0.1695
535	Q	A	-1.1854
536	K	A	-1.8611
537	L	A	0.0000
538	S	A	0.0000
539	N	A	-0.5876
540	I	A	0.1424
541	I	A	0.0000
542	G	A	0.0000
543	I	A	0.0000
544	G	A	0.0000
545	A	A	0.0000
546	I	A	0.0000
547	K	A	0.0000
548	Y	A	0.0000
549	F	A	0.0000
550	D	A	0.0000
551	L	A	0.0000
552	K	A	-0.3657
553	Q	A	-0.3389
554	T	A	-0.0944
555	R	A	0.0000
556	T	A	-0.0667
557	G	A	-0.5202
558	D	A	-1.7643
559	Y	A	0.0000
560	A	A	0.0618
561	F	A	0.1896
562	S	A	0.0516
563	Y	A	-0.0980
564	D	A	-2.0520
565	K	A	-2.0208
566	M	A	0.0000
567	L	A	0.0000
568	D	A	-0.9251
569	M	A	0.3053
570	S	A	-0.1609
571	G	A	-0.2821
572	N	A	-0.2684
573	T	A	0.0000
574	A	A	0.0000
575	V	A	0.0000
576	F	A	0.3491
577	L	A	0.0000
578	L	A	0.0000
579	Y	A	0.1496
580	Q	A	-0.2617
581	Y	A	0.0000
582	A	A	0.0000
583	R	A	-1.5062
584	I	A	0.0000
585	C	A	0.0000
586	S	A	-0.2501
587	I	A	0.0000
588	K	A	-0.4993
589	R	A	-2.0193
590	K	A	-1.9994
591	A	A	-0.3840
592	G	A	-0.3938
593	I	A	0.3207
594	A	A	-0.1782
595	D	A	-1.8937
596	E	A	-2.4195
597	E	A	-2.0825
598	L	A	0.0000
599	L	A	0.3592
600	E	A	-1.6558
601	I	A	-0.1116
602	T	A	-0.3579
603	D	A	-1.8024
604	I	A	0.0000
605	S	A	-0.0646
606	L	A	0.0000
607	E	A	-1.8223
608	T	A	-0.3874
609	P	A	-0.3190
610	Q	A	-0.3906
611	E	A	0.0000
612	K	A	-0.1896
613	S	A	-0.1448
614	L	A	0.0000
615	A	A	0.0000
616	L	A	0.0000
617	C	A	0.0795
618	A	A	0.0000
619	L	A	0.0000
620	R	A	-0.3706
621	F	A	0.0000
622	Q	A	0.0000
623	T	A	0.0000
624	V	A	0.0000
625	I	A	0.0000
626	L	A	0.0464
627	K	A	-0.8804
628	T	A	0.0000
629	V	A	0.0000
630	E	A	-1.9626
631	D	A	-1.1209
632	L	A	0.0000
633	F	A	0.3267
634	P	A	0.0000
635	H	A	-0.2190
636	H	A	-0.2235
637	L	A	0.0000
638	A	A	0.0000
639	D	A	-1.1432
640	F	A	0.0000
641	A	A	0.0000
642	Y	A	0.0898
643	E	A	-1.6647
644	L	A	0.0000
645	M	A	0.0000
646	T	A	-0.0689
647	N	A	-0.1610
648	F	A	0.0000
649	S	A	-0.3108
650	N	A	-1.2497
651	F	A	0.0000
652	F	A	0.5415
653	Q	A	-1.2924
654	N	A	-1.4889
655	C	A	0.0000
656	R	A	-1.8441
657	V	A	0.0000
658	L	A	-0.0929
659	D	A	-1.8037
660	D	A	-0.6752
661	P	A	-0.2743
662	L	A	0.1067
663	Q	A	-0.3437
664	N	A	-0.7273
665	S	A	0.0000
666	R	A	0.0000
667	L	A	0.0000
668	C	A	0.0000
669	L	A	0.0000
670	V	A	0.0000
671	E	A	0.0000
672	L	A	0.0000
673	T	A	0.0000
674	R	A	-0.2196
675	I	A	0.2363
676	T	A	0.0000
677	L	A	0.0000
678	K	A	-0.7094
679	K	A	-0.5116
680	T	A	0.0000
681	L	A	0.0000
682	E	A	-0.4512
683	L	A	0.0000
684	L	A	0.0000
685	N	A	-0.1730
686	I	A	0.0000
687	E	A	-1.8218
688	T	A	-0.3394
689	A	A	0.0000
690	E	A	-2.0421
691	R	A	-1.5670
692	I	A	0.0000

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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
VR227A	-0.5708	-0.009	View	CSV	PDB
VR360A	-0.6196	-0.0084	View	CSV	PDB
VE120A	-0.6861	-0.0074	View	CSV	PDB
VK227A	-0.6288	-0.0074	View	CSV	PDB
VK360A	-0.5036	-0.0077	View	CSV	PDB
LK232A	-0.4525	-0.0061	View	CSV	PDB
VD120A	-0.2794	-0.0069	View	CSV	PDB
VK323A	-0.2004	-0.0074	View	CSV	PDB
FR413A	-0.5939	-0.0045	View	CSV	PDB
LR232A	-0.1329	-0.0058	View	CSV	PDB
VR323A	0.4012	-0.0085	View	CSV	PDB
FK413A	0.7252	-0.0063	View	CSV	PDB

Project name: PB1

Status: done

Started: 2024-04-19 10:57:49

Automated mutations analysis

Mutant

Energetic effect

Score comparison