Project name: sol_493_1st

Chain sequence(s)	A: KFTLPEDFGKRESDLKLSVKLVEMLKNINLRLGCRLSRKKIEEVKANPKYIDLTLEAIFNEAPKLAKELAEELRLKNIESLALLLCGVSPPGNLALEFTARVNGNLELTYVMVFEAWKYFNKNGPKLLKEYSKGIYEGDLSDKVPYKGIEISLKLVEEPINKGIELRETDPSLLPELMKKLEEKIKELKKEVEELSRENVGEYIEYSRDPRIEEAARRFPKKLYEIGEKIAKEKGLSEKDIKAIALLVASRNVQLCSTILNVAFPLEVIGRIFFFPLILMEKSLEFFEEVVKELKEEEKKKL
Selected Chain(s)	A
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 A 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                                          (00:06:21)
[INFO]       Main:     Simulation completed successfully.                                          (00:06:23)

• Minimal score value: -5.8669
• Maximal score value: 1.6086
• Average score: -1.3404
• Total score value: -404.8114

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
1	K	A	-1.5030
2	F	A	-0.3897
3	T	A	-0.5443
4	L	A	-0.4667
5	P	A	-1.1313
6	E	A	-2.8549
7	D	A	-3.4351
8	F	A	-2.0580
9	G	A	-1.8720
10	K	A	-2.9349
11	R	A	-2.7155
12	E	A	-2.4941
13	S	A	-1.5057
14	D	A	-1.2258
15	L	A	0.1287
16	K	A	-0.7187
17	L	A	-0.6751
18	S	A	0.7750
19	V	A	1.6086
20	K	A	0.1225
21	L	A	0.5832
22	V	A	0.9671
23	E	A	-0.2361
24	M	A	-0.7102
25	L	A	0.1982
26	K	A	-0.9484
27	N	A	0.0000
28	I	A	-0.4126
29	N	A	0.0000
30	L	A	-0.7898
31	R	A	-1.0785
32	L	A	0.0000
33	G	A	0.0000
34	C	A	0.0000
35	R	A	-1.0005
36	L	A	0.0000
37	S	A	-2.6687
38	R	A	-3.4456
39	K	A	-3.8005
40	K	A	-3.8971
41	I	A	0.0000
42	E	A	-4.5460
43	E	A	-4.3242
44	V	A	0.0000
45	K	A	-3.4935
46	A	A	-2.4534
47	N	A	-2.3840
48	P	A	-1.9300
49	K	A	-2.6459
50	Y	A	-1.5646
51	I	A	-1.8468
52	D	A	-2.6522
53	L	A	-1.7131
54	T	A	0.0000
55	L	A	-1.3669
56	E	A	-2.3657
57	A	A	0.0000
58	I	A	0.0000
59	F	A	0.0000
60	N	A	-1.4686
61	E	A	-1.5035
62	A	A	0.0000
63	P	A	0.0000
64	K	A	-1.9839
65	L	A	0.0000
66	A	A	0.0000
67	K	A	-2.2776
68	E	A	-3.5636
69	L	A	0.0000
70	A	A	0.0000
71	E	A	-4.3304
72	E	A	-3.7635
73	L	A	-2.8430
74	R	A	-3.7608
75	L	A	-2.6626
76	K	A	-2.7995
77	N	A	-2.1910
78	I	A	-0.3839
79	E	A	0.0000
80	S	A	0.0000
81	L	A	0.0000
82	A	A	0.0000
83	L	A	0.0000
84	L	A	0.0000
85	L	A	0.0000
86	C	A	0.0000
87	G	A	0.0000
88	V	A	0.0000
89	S	A	0.0000
90	P	A	0.0000
91	P	A	0.0000
92	G	A	0.0000
93	N	A	-0.1261
94	L	A	0.0571
95	A	A	0.0000
96	L	A	0.0000
97	E	A	-0.5247
98	F	A	0.0000
99	T	A	0.0000
100	A	A	0.0000
101	R	A	-1.7193
102	V	A	0.0000
103	N	A	-2.1985
104	G	A	-1.8278
105	N	A	-1.3315
106	L	A	0.0000
107	E	A	0.0000
108	L	A	0.0000
109	T	A	0.0000
110	Y	A	0.0000
111	V	A	0.0000
112	M	A	0.0000
113	V	A	0.0000
114	F	A	-0.5996
115	E	A	-1.6015
116	A	A	0.0000
117	W	A	0.0000
118	K	A	-2.4401
119	Y	A	-1.2678
120	F	A	0.0000
121	N	A	-1.8674
122	K	A	-2.3747
123	N	A	0.0000
124	G	A	0.0000
125	P	A	-2.4179
126	K	A	-2.8676
127	L	A	0.0000
128	L	A	0.0000
129	K	A	-3.4107
130	E	A	-2.8935
131	Y	A	-1.8963
132	S	A	0.0000
133	K	A	-2.9570
134	G	A	-1.7491
135	I	A	-1.3420
136	Y	A	-1.6281
137	E	A	-2.6249
138	G	A	-2.1574
139	D	A	-3.0031
140	L	A	0.0000
141	S	A	-2.4342
142	D	A	-2.3766
143	K	A	-1.1592
144	V	A	0.0000
145	P	A	-0.6777
146	Y	A	-0.8645
147	K	A	-1.5683
148	G	A	-0.9095
149	I	A	0.0000
150	E	A	-1.6182
151	I	A	0.0218
152	S	A	-0.4013
153	L	A	-1.1742
154	K	A	-1.7344
155	L	A	-0.8932
156	V	A	0.0000
157	E	A	-1.9909
158	E	A	-2.8983
159	P	A	-2.0723
160	I	A	0.0000
161	N	A	-2.2931
162	K	A	-2.9666
163	G	A	0.0000
164	I	A	0.0000
165	E	A	-3.5664
166	L	A	-2.3339
167	R	A	-3.0660
168	E	A	-3.5017
169	T	A	-2.1591
170	D	A	-2.0135
171	P	A	-1.5389
172	S	A	-0.5250
173	L	A	0.0291
174	L	A	-0.8444
175	P	A	-1.0875
176	E	A	-1.9420
177	L	A	-1.6256
178	M	A	-2.2241
179	K	A	-3.9233
180	K	A	-4.2281
181	L	A	0.0000
182	E	A	-4.3031
183	E	A	-5.0191
184	K	A	-4.2624
185	I	A	0.0000
186	K	A	-4.8693
187	E	A	-4.6921
188	L	A	0.0000
189	K	A	-4.1531
190	K	A	-4.7960
191	E	A	-4.2395
192	V	A	0.0000
193	E	A	-4.5712
194	E	A	-4.7589
195	L	A	0.0000
196	S	A	-3.2489
197	R	A	-4.1197
198	E	A	-3.7106
199	N	A	0.0000
200	V	A	-1.5063
201	G	A	-2.7182
202	E	A	-2.5362
203	Y	A	-0.9716
204	I	A	-0.8932
205	E	A	-1.8175
206	Y	A	-0.0289
207	S	A	0.0000
208	R	A	-0.9648
209	D	A	-1.0205
210	P	A	-0.9865
211	R	A	-1.8425
212	I	A	0.0000
213	E	A	-1.6771
214	E	A	-1.6033
215	A	A	0.0000
216	A	A	0.0000
217	R	A	-2.7723
218	R	A	-1.9334
219	F	A	0.0000
220	P	A	0.0000
221	K	A	-2.3244
222	K	A	-2.1505
223	L	A	0.0000
224	Y	A	-1.5804
225	E	A	-2.6922
226	I	A	-1.7264
227	G	A	0.0000
228	E	A	-2.4739
229	K	A	-3.2953
230	I	A	-2.2278
231	A	A	0.0000
232	K	A	-3.8443
233	E	A	-3.8471
234	K	A	-3.5227
235	G	A	-2.4546
236	L	A	-1.8797
237	S	A	-1.7940
238	E	A	-2.8345
239	K	A	-2.3716
240	D	A	0.0000
241	I	A	-1.9956
242	K	A	-1.4533
243	A	A	0.0000
244	I	A	0.0000
245	A	A	0.0000
246	L	A	0.0000
247	L	A	0.0000
248	V	A	0.0000
249	A	A	0.0000
250	S	A	0.0000
251	R	A	0.0000
252	N	A	0.0000
253	V	A	0.0000
254	Q	A	-1.1449
255	L	A	0.0000
256	C	A	0.0000
257	S	A	-0.4122
258	T	A	-0.4355
259	I	A	0.0000
260	L	A	0.0000
261	N	A	-0.3635
262	V	A	0.5968
263	A	A	-0.2484
264	F	A	0.0000
265	P	A	-0.0397
266	L	A	-0.0223
267	E	A	-0.7979
268	V	A	0.9719
269	I	A	0.0000
270	G	A	-0.1678
271	R	A	-0.1128
272	I	A	0.0000
273	F	A	0.1724
274	F	A	0.0000
275	F	A	0.0000
276	P	A	0.0000
277	L	A	0.3984
278	I	A	0.0000
279	L	A	0.0000
280	M	A	-0.2908
281	E	A	-0.8911
282	K	A	-1.6597
283	S	A	0.0000
284	L	A	-1.0205
285	E	A	-2.4137
286	F	A	0.0000
287	F	A	0.0000
288	E	A	-2.6867
289	E	A	-3.5590
290	V	A	0.0000
291	V	A	0.0000
292	K	A	-4.4151
293	E	A	-4.6832
294	L	A	-4.1803
295	K	A	-5.0876
296	E	A	-5.8669
297	E	A	-5.7511
298	E	A	-5.1528
299	K	A	-4.7516
300	K	A	-4.5475
301	K	A	-3.5377
302	L	A	-0.9478