Project name: 1wsa

Chain sequence(s)	A: KPQVTILATGGTIAGYSAGAVTVDKLLAAVPAINDLATIKGEQISSIGSQEMTGKVWLKLAKRVNELLAQKETEAVIITHGTDTMEETAFFLNLTVKSQKPVVLVGAMRPGSSMSADGPMNLYNAVNVAINKASTNKGVVIVMNDEIHAAREATKLNTTAVNAFASPNTGKIGTVYYGKVEYFTQSVRPHTLASEFDISKIEELPRVDILYAHPDDTDVLVNAALQAGAKGIIHAGMGNGNPFPLTQNALEKAAKSGVVVARSSRVGSGSTTQEAEVDDKKLGFVATESLNPQKARVLLMLALTKTSDREAIQKIFSTY; B: KPQVTILATGGTIAGSYSAGAVTVDKLLAAVPAINDLATIKGEQISSIGSQEMTGKVWLKLAKRVNELLAQKETEAVIITHGTDTMEETAFFLNLTVKSQKPVVLVGAMRPGSSMSADGPMNLYNAVNVAINKASTNKGVVIVMNDEIHAAREATKLNTTAVNAFASPNTGKIGTVYYGKVEYFTQSVRPHTLASEFDISKIEELPRVDILYAHPDDTDVLVNAALQAGAKGIIHAGMGNGNPFPLTQNALEKAAKSGVVVARSSRVGSGSTTQEAEVDDKKLGFVATESLNPQKARVLLMLALTKTSDREAIQKIFSTY
Selected Chain(s)	A,B
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:05:08)
[INFO]       Main:     Simulation completed successfully.                                          (00:05:13)

• Minimal score value: -3.6658
• Maximal score value: 1.4535
• Average score: -0.5743
• Total score value: -367.008

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
3	K	A	-2.2117
4	P	A	-1.6521
5	Q	A	-2.0308
6	V	A	0.0000
7	T	A	0.0000
8	I	A	0.0000
9	L	A	0.0000
10	A	A	0.0000
11	T	A	0.0000
12	G	A	-0.3493
13	G	A	-0.5277
14	T	A	-0.5466
15	I	A	-0.6194
16	A	A	0.0000
17	G	A	-0.9063
27	Y	A	1.1244
28	S	A	0.2312
29	A	A	0.0000
30	G	A	-0.4563
31	A	A	0.0000
32	V	A	0.8608
33	T	A	-0.1581
34	V	A	0.0000
35	D	A	-0.5221
36	K	A	-1.4686
37	L	A	0.0000
38	L	A	0.0000
39	A	A	-0.7952
40	A	A	-0.6948
41	V	A	0.0000
42	P	A	-0.7956
43	A	A	-0.6130
44	I	A	0.0000
45	N	A	-1.4438
46	D	A	-2.1734
47	L	A	-1.1678
48	A	A	0.0000
49	T	A	-1.3939
50	I	A	0.0000
51	K	A	-1.3731
52	G	A	0.0000
53	E	A	-0.7471
54	Q	A	-0.6763
55	I	A	0.0000
56	S	A	-0.4519
57	S	A	-0.3333
58	I	A	-0.0172
59	G	A	-0.4343
60	S	A	0.0000
61	Q	A	-0.7338
62	E	A	-0.8123
63	M	A	0.0000
64	T	A	-1.1337
65	G	A	0.0000
66	K	A	-2.8275
67	V	A	-1.2507
68	W	A	0.0000
69	L	A	0.0000
70	K	A	-2.3746
71	L	A	0.0000
72	A	A	0.0000
73	K	A	-2.0945
74	R	A	-1.7782
75	V	A	0.0000
76	N	A	-1.7598
77	E	A	-2.4151
78	L	A	0.0000
79	L	A	0.0000
80	A	A	-1.9896
81	Q	A	-2.8934
82	K	A	-3.3075
83	E	A	-3.3810
84	T	A	0.0000
85	E	A	-2.4499
86	A	A	0.0000
87	V	A	0.0000
88	I	A	0.0000
89	I	A	0.0000
90	T	A	0.0000
91	H	A	0.0000
92	G	A	-0.2341
93	T	A	-0.2849
94	D	A	0.0000
95	T	A	0.0000
96	M	A	0.0000
97	E	A	0.0000
98	E	A	0.0000
99	T	A	0.0000
100	A	A	0.0000
101	F	A	0.0000
102	F	A	0.0000
103	L	A	0.0000
104	N	A	0.0000
105	L	A	0.0000
106	T	A	0.0000
107	V	A	0.0000
108	K	A	-0.9558
109	S	A	-0.9809
110	Q	A	-1.6530
111	K	A	-1.7656
112	P	A	0.0000
113	V	A	0.0000
114	V	A	0.0000
115	L	A	0.0000
116	V	A	0.0000
117	G	A	0.0000
118	A	A	-0.5235
119	M	A	-0.6950
120	R	A	-1.3130
121	P	A	-0.9900
122	G	A	-0.7438
123	S	A	-0.4764
124	S	A	-0.2497
125	M	A	0.5890
126	S	A	-0.0869
127	A	A	-0.3951
128	D	A	-0.5917
129	G	A	0.0000
130	P	A	0.0466
131	M	A	0.6672
132	N	A	0.0000
133	L	A	0.0000
134	Y	A	0.6164
135	N	A	0.0000
136	A	A	0.0000
137	V	A	0.0000
138	N	A	-0.1834
139	V	A	0.0000
140	A	A	0.0000
141	I	A	-0.8385
142	N	A	-1.4771
143	K	A	-1.9560
144	A	A	-1.2513
145	S	A	0.0000
146	T	A	-1.7797
147	N	A	-2.1028
148	K	A	-1.2640
149	G	A	-0.9382
150	V	A	0.0000
151	V	A	0.0000
152	I	A	0.0000
153	V	A	0.0000
154	M	A	0.0000
155	N	A	-0.9196
156	D	A	-0.6777
157	E	A	-1.1577
158	I	A	0.0000
159	H	A	0.0000
160	A	A	0.0000
161	A	A	0.0000
162	R	A	0.0000
163	E	A	-0.6270
164	A	A	0.0000
165	T	A	0.0000
166	K	A	0.0000
167	L	A	-0.0073
168	N	A	-0.3663
169	T	A	0.0000
170	T	A	-0.3299
171	A	A	-0.2810
172	V	A	-0.2968
173	N	A	-1.1531
174	A	A	0.0000
175	F	A	0.0000
176	A	A	-0.6312
177	S	A	0.0000
178	P	A	-0.6962
179	N	A	-1.1633
180	T	A	-0.8682
181	G	A	-1.0430
182	K	A	-1.3133
183	I	A	0.0000
184	G	A	0.0000
185	T	A	-0.4316
186	V	A	0.0000
187	Y	A	0.9807
188	Y	A	1.4535
189	G	A	0.0774
190	K	A	-1.1680
191	V	A	-1.0180
192	E	A	-0.7574
193	Y	A	0.1812
194	F	A	1.3110
195	T	A	0.1774
196	Q	A	-0.7977
197	S	A	-0.1444
198	V	A	1.1744
199	R	A	0.1811
200	P	A	0.1557
201	H	A	-0.1979
202	T	A	0.0000
203	L	A	0.6046
204	A	A	0.1414
205	S	A	0.0000
206	E	A	-1.5909
207	F	A	0.0000
208	D	A	-2.3909
209	I	A	0.0000
210	S	A	-1.9899
211	K	A	-2.6519
212	I	A	-2.4407
213	E	A	-3.5696
214	E	A	-3.2316
215	L	A	-1.4914
216	P	A	-0.8921
217	R	A	-1.1272
218	V	A	0.0000
219	D	A	0.0000
220	I	A	0.0000
221	L	A	0.0000
222	Y	A	0.0000
223	A	A	0.0000
224	H	A	0.0000
225	P	A	0.0000
226	D	A	-1.3653
227	D	A	0.0000
228	T	A	-0.2982
229	D	A	-0.6167
230	V	A	-0.0856
231	L	A	0.0000
232	V	A	0.0000
233	N	A	-0.9183
234	A	A	0.0000
235	A	A	0.0000
236	L	A	-0.7120
237	Q	A	-1.2238
238	A	A	-0.8968
239	G	A	-1.0738
240	A	A	0.0000
241	K	A	-1.1551
242	G	A	0.0000
243	I	A	0.0000
244	I	A	0.0000
245	H	A	0.0000
246	A	A	0.0000
247	G	A	0.0000
248	M	A	0.0000
249	G	A	0.0000
250	N	A	0.0000
251	G	A	0.0000
252	N	A	0.0000
253	P	A	0.0000
254	F	A	0.0000
255	P	A	-0.2894
256	L	A	0.4780
257	T	A	0.0000
258	Q	A	-0.8008
259	N	A	-1.4540
260	A	A	0.0000
261	L	A	0.0000
262	E	A	-1.9560
263	K	A	-2.3322
264	A	A	0.0000
265	A	A	-1.5762
266	K	A	-2.3995
267	S	A	-1.6079
268	G	A	-1.6731
269	V	A	0.0000
270	V	A	0.0000
271	V	A	0.0000
272	A	A	0.0000
273	R	A	0.0000
274	S	A	0.0000
275	S	A	0.0000
276	R	A	0.0000
277	V	A	0.0000
278	G	A	-0.3224
279	S	A	-0.4926
280	G	A	-0.5334
281	S	A	-0.5576
282	T	A	0.0000
283	T	A	-1.1696
284	Q	A	-2.2752
285	E	A	-3.1524
286	A	A	-2.1953
287	E	A	-2.6788
288	V	A	0.0000
289	D	A	-3.4557
290	D	A	0.0000
291	K	A	-3.5674
292	K	A	-2.9645
293	L	A	-2.2791
294	G	A	-2.3975
295	F	A	0.0000
296	V	A	0.0000
297	A	A	0.0000
298	T	A	0.0000
299	E	A	-0.5796
300	S	A	-0.4973
301	L	A	0.0000
302	N	A	-0.3503
303	P	A	0.0000
304	Q	A	0.0000
305	K	A	0.0000
306	A	A	0.0000
307	R	A	0.0000
308	V	A	0.0000
309	L	A	0.0000
310	L	A	0.0000
311	M	A	0.0000
312	L	A	0.0000
313	A	A	0.0000
314	L	A	0.0000
315	T	A	-1.2110
316	K	A	-2.2341
317	T	A	-1.4796
318	S	A	-1.8934
319	D	A	-2.9233
320	R	A	-2.6110
321	E	A	-3.1779
322	A	A	-2.3264
323	I	A	0.0000
324	Q	A	0.0000
325	K	A	-2.4148
326	I	A	0.0000
327	F	A	0.0000
328	S	A	-0.9308
329	T	A	-0.7073
330	Y	A	0.0000
3	K	B	-2.0771
4	P	B	-1.6963
5	Q	B	-2.1237
6	V	B	0.0000
7	T	B	0.0000
8	I	B	0.0000
9	L	B	0.0000
10	A	B	0.0000
11	T	B	0.0000
12	G	B	-0.4036
13	G	B	-0.5406
14	T	B	-0.4460
15	I	B	-0.4235
16	A	B	0.0000
17	G	B	-0.5410
18	S	B	-0.6605
27	Y	B	1.0915
28	S	B	0.2047
29	A	B	0.0000
30	G	B	-0.5430
31	A	B	0.0000
32	V	B	0.9792
33	T	B	-0.0787
34	V	B	0.0000
35	D	B	-0.3903
36	K	B	-1.0492
37	L	B	0.0000
38	L	B	0.0000
39	A	B	-0.5099
40	A	B	-0.3909
41	V	B	-0.0211
42	P	B	-0.6222
43	A	B	-0.5774
44	I	B	0.0000
45	N	B	-1.3642
46	D	B	-2.1556
47	L	B	-1.2154
48	A	B	0.0000
49	T	B	-1.2852
50	I	B	0.0000
51	K	B	-1.6302
52	G	B	0.0000
53	E	B	-0.7519
54	Q	B	-0.6002
55	I	B	0.0000
56	S	B	-0.4679
57	S	B	-0.4036
58	I	B	-0.1671
59	G	B	-0.6978
60	S	B	0.0000
61	Q	B	-0.9748
62	E	B	-1.1780
63	M	B	0.0000
64	T	B	-1.1930
65	G	B	0.0000
66	K	B	-2.8633
67	V	B	-1.4456
68	W	B	0.0000
69	L	B	0.0000
70	K	B	-2.6233
71	L	B	0.0000
72	A	B	0.0000
73	K	B	-2.3658
74	R	B	-1.9398
75	V	B	0.0000
76	N	B	-1.7068
77	E	B	-2.2476
78	L	B	-1.8519
79	L	B	0.0000
80	A	B	-1.8368
81	Q	B	-2.7399
82	K	B	-3.2705
83	E	B	-3.3534
84	T	B	0.0000
85	E	B	-2.4546
86	A	B	0.0000
87	V	B	0.0000
88	I	B	0.0000
89	I	B	0.0000
90	T	B	0.0000
91	H	B	0.0000
92	G	B	-0.4466
93	T	B	0.0000
94	D	B	-0.4270
95	T	B	0.0000
96	M	B	0.0000
97	E	B	0.0000
98	E	B	0.0000
99	T	B	0.0000
100	A	B	0.0000
101	F	B	0.0000
102	F	B	0.0000
103	L	B	0.0000
104	N	B	0.0000
105	L	B	0.0000
106	T	B	0.0000
107	V	B	0.0000
108	K	B	-1.1224
109	S	B	-0.7965
110	Q	B	-1.4964
111	K	B	-1.6732
112	P	B	0.0000
113	V	B	0.0000
114	V	B	0.0000
115	L	B	0.0000
116	V	B	0.0000
117	G	B	0.0000
118	A	B	-0.3756
119	M	B	-0.4827
120	R	B	-0.6775
121	P	B	-0.6331
122	G	B	-0.5124
123	S	B	-0.3563
124	S	B	-0.0866
125	M	B	0.6746
126	S	B	0.0265
127	A	B	-0.1345
128	D	B	-0.4006
129	G	B	0.0000
130	P	B	0.1205
131	M	B	0.5203
132	N	B	0.0000
133	L	B	0.0000
134	Y	B	0.5142
135	N	B	0.0000
136	A	B	0.0000
137	V	B	0.0000
138	N	B	-0.2487
139	V	B	0.0000
140	A	B	0.0000
141	I	B	-0.8669
142	N	B	-1.4994
143	K	B	-1.9312
144	A	B	-1.1732
145	S	B	0.0000
146	T	B	-1.6582
147	N	B	-1.8617
148	K	B	-1.0564
149	G	B	-0.9405
150	V	B	0.0000
151	V	B	0.0000
152	I	B	0.0000
153	V	B	0.0000
154	M	B	0.0000
155	N	B	-1.0308
156	D	B	-0.7239
157	E	B	-1.0989
158	I	B	0.0000
159	H	B	0.0000
160	A	B	0.0000
161	A	B	0.0000
162	R	B	0.0000
163	E	B	-0.5930
164	A	B	0.0000
165	T	B	0.0000
166	K	B	0.0000
167	L	B	-0.0848
168	N	B	-0.4176
169	T	B	0.0000
170	T	B	-0.2357
171	A	B	-0.3583
172	V	B	-0.3958
173	N	B	-1.2849
174	A	B	0.0000
175	F	B	0.0000
176	A	B	-0.6126
177	S	B	0.0000
178	P	B	-0.6909
179	N	B	-1.1076
180	T	B	-0.8209
181	G	B	-0.9772
182	K	B	-1.1535
183	I	B	0.0000
184	G	B	0.0000
185	T	B	-0.3734
186	V	B	0.0000
187	Y	B	0.9439
188	Y	B	1.4145
189	G	B	0.0325
190	K	B	-1.1536
191	V	B	-0.9683
192	E	B	-0.7089
193	Y	B	0.2722
194	F	B	1.3623
195	T	B	0.2459
196	Q	B	-0.7623
197	S	B	-0.2516
198	V	B	1.0071
199	R	B	-0.1659
200	P	B	-0.0212
201	H	B	-0.3026
202	T	B	0.0000
203	L	B	0.1981
204	A	B	-0.0001
205	S	B	0.0000
206	E	B	-1.6666
207	F	B	0.0000
208	D	B	-2.5514
209	I	B	0.0000
210	S	B	-2.0189
211	K	B	-2.6368
212	I	B	-2.4640
213	E	B	-3.4576
214	E	B	-3.2087
215	L	B	-1.5036
216	P	B	-0.9736
217	R	B	-1.3047
218	V	B	0.0000
219	D	B	0.0000
220	I	B	0.0000
221	L	B	0.0000
222	Y	B	0.0000
223	A	B	0.0000
224	H	B	0.0000
225	P	B	0.0000
226	D	B	-0.8642
227	D	B	0.0000
228	T	B	-0.2080
229	D	B	-0.8057
230	V	B	-0.3569
231	L	B	0.0000
232	V	B	0.0000
233	N	B	-0.9952
234	A	B	-0.5920
235	A	B	0.0000
236	L	B	-0.9280
237	Q	B	-1.2658
238	A	B	-0.9326
239	G	B	-1.1661
240	A	B	0.0000
241	K	B	-1.2120
242	G	B	0.0000
243	I	B	0.0000
244	I	B	0.0000
245	H	B	0.0000
246	A	B	0.0000
247	G	B	0.0000
248	M	B	0.0000
249	G	B	0.0000
250	N	B	-0.6352
251	G	B	0.0000
252	N	B	0.0000
253	P	B	0.0000
254	F	B	0.0000
255	P	B	-0.1591
256	L	B	0.5805
257	T	B	0.0000
258	Q	B	-0.9867
259	N	B	-1.7867
260	A	B	0.0000
261	L	B	0.0000
262	E	B	-2.7106
263	K	B	-2.9742
264	A	B	0.0000
265	A	B	-2.0621
266	K	B	-2.6711
267	S	B	-1.7397
268	G	B	-1.6902
269	V	B	0.0000
270	V	B	0.0000
271	V	B	0.0000
272	A	B	0.0000
273	R	B	0.0000
274	S	B	0.0000
275	S	B	0.0000
276	R	B	0.0000
277	V	B	0.0000
278	G	B	-0.2931
279	S	B	-0.4933
280	G	B	-0.5202
281	S	B	-0.5676
282	T	B	0.0000
283	T	B	-1.1784
284	Q	B	-2.3624
285	E	B	-3.1136
286	A	B	-2.3218
287	E	B	-2.7612
288	V	B	0.0000
289	D	B	-3.6658
290	D	B	0.0000
291	K	B	-3.6616
292	K	B	-3.1173
293	L	B	-2.5564
294	G	B	-2.5919
295	F	B	0.0000
296	V	B	0.0000
297	A	B	0.0000
298	T	B	0.0000
299	E	B	-0.5886
300	S	B	-0.4714
301	L	B	0.0000
302	N	B	-0.4194
303	P	B	0.0000
304	Q	B	0.0000
305	K	B	0.0000
306	A	B	0.0000
307	R	B	0.0000
308	V	B	0.0000
309	L	B	0.0000
310	L	B	0.0000
311	M	B	0.0000
312	L	B	0.0000
313	A	B	0.0000
314	L	B	0.0000
315	T	B	-1.1886
316	K	B	-2.1177
317	T	B	-1.5771
318	S	B	-1.7385
319	D	B	-2.4926
320	R	B	-2.5453
321	E	B	-3.1625
322	A	B	-2.2772
323	I	B	0.0000
324	Q	B	-2.1787
325	K	B	-2.3139
326	I	B	0.0000
327	F	B	0.0000
328	S	B	-0.9349
329	T	B	-0.7509
330	Y	B	0.0000