Project name: sol_842_1st

Chain sequence(s)	A: SFKLPEDFGKRPSDLELSVKLVEMLRNIMLRLGCQLSREEIEKVKEDPRLINLGLEARYNVRPKLAKELAEELRLKNIESLALLLCGVSPSGNLGLEYTAKVNGNLELALVMWFEDNRYAREHIPELLEKYSKGIYPEDLSDKVPYKGIEISLKLVLKPIEEGIEIREKDPSKLEPLLSKLEKEVEELSKEVKKLSEENVGDTIKYSISPKILEAVREFPKRMYEEGEKIAKEAGLSEEDVKAIALLVATVNVQLCSTILNVAFPKEVIGEIFFFPLLLMKEQEKFFEEVVKKYKEELKKKE
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                                          (00:08:38)
[INFO]       Main:     Simulation completed successfully.                                          (00:08:39)

• Minimal score value: -4.9526
• Maximal score value: 1.7649
• Average score: -1.4205
• Total score value: -429.0024

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	S	A	-0.6803
2	F	A	-0.6245
3	K	A	-2.1733
4	L	A	-1.3300
5	P	A	-1.5471
6	E	A	-3.0526
7	D	A	-3.1854
8	F	A	-1.7430
9	G	A	-1.4519
10	K	A	-2.4609
11	R	A	-1.8971
12	P	A	-0.9805
13	S	A	-0.8013
14	D	A	-0.7879
15	L	A	0.5649
16	E	A	-0.5699
17	L	A	-0.2776
18	S	A	1.0043
19	V	A	1.7649
20	K	A	0.3957
21	L	A	1.1585
22	V	A	1.4870
23	E	A	0.3415
24	M	A	0.0081
25	L	A	0.5579
26	R	A	-0.4490
27	N	A	0.0000
28	I	A	-0.1894
29	M	A	0.0000
30	L	A	0.0000
31	R	A	-0.9975
32	L	A	0.0000
33	G	A	0.0000
34	C	A	0.0000
35	Q	A	-1.0129
36	L	A	0.0000
37	S	A	-2.8715
38	R	A	-4.1446
39	E	A	-4.1501
40	E	A	-4.1769
41	I	A	-3.5615
42	E	A	-4.9526
43	K	A	-4.8395
44	V	A	0.0000
45	K	A	-3.9396
46	E	A	-4.1072
47	D	A	-3.0610
48	P	A	-2.4970
49	R	A	-2.5853
50	L	A	-1.1512
51	I	A	0.0000
52	N	A	-1.9588
53	L	A	-1.1340
54	G	A	0.0000
55	L	A	-1.2187
56	E	A	-2.2015
57	A	A	0.0000
58	R	A	0.0000
59	Y	A	0.0000
60	N	A	-1.8547
61	V	A	-0.9989
62	R	A	0.0000
63	P	A	0.0000
64	K	A	-1.6445
65	L	A	-1.4225
66	A	A	0.0000
67	K	A	-2.1640
68	E	A	-3.4598
69	L	A	0.0000
70	A	A	0.0000
71	E	A	-4.3300
72	E	A	-3.7696
73	L	A	-2.9967
74	R	A	-3.8170
75	L	A	-2.7185
76	K	A	-2.8382
77	N	A	-2.2785
78	I	A	-0.5622
79	E	A	0.0000
80	S	A	-1.5722
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	S	A	0.0000
92	G	A	0.0000
93	N	A	-0.2075
94	L	A	0.0000
95	G	A	0.0000
96	L	A	0.0000
97	E	A	-0.5107
98	Y	A	0.0000
99	T	A	0.0000
100	A	A	-1.3849
101	K	A	-1.7621
102	V	A	0.0000
103	N	A	-2.2566
104	G	A	-2.1812
105	N	A	-1.6997
106	L	A	0.0000
107	E	A	-1.7118
108	L	A	0.0000
109	A	A	0.0000
110	L	A	0.0000
111	V	A	0.0000
112	M	A	0.0000
113	W	A	0.0000
114	F	A	0.2671
115	E	A	0.0000
116	D	A	0.0000
117	N	A	0.0000
118	R	A	-2.2552
119	Y	A	-1.2131
120	A	A	0.0000
121	R	A	-2.4228
122	E	A	-2.7347
123	H	A	-2.1101
124	I	A	0.0000
125	P	A	-2.8260
126	E	A	-3.2178
127	L	A	0.0000
128	L	A	0.0000
129	E	A	-4.1586
130	K	A	-3.1938
131	Y	A	0.0000
132	S	A	0.0000
133	K	A	-3.1615
134	G	A	-1.6779
135	I	A	-1.3272
136	Y	A	-1.6421
137	P	A	-1.8306
138	E	A	-3.2265
139	D	A	-3.7974
140	L	A	0.0000
141	S	A	-2.7178
142	D	A	-2.2318
143	K	A	-1.3418
144	V	A	0.0000
145	P	A	-0.8991
146	Y	A	-1.2405
147	K	A	-1.9114
148	G	A	-1.4208
149	I	A	0.0000
150	E	A	-2.4740
151	I	A	-0.6724
152	S	A	-0.7290
153	L	A	-1.4065
154	K	A	-2.0224
155	L	A	-0.8703
156	V	A	0.0000
157	L	A	-1.6972
158	K	A	-3.1026
159	P	A	0.0000
160	I	A	0.0000
161	E	A	-3.7129
162	E	A	-3.4467
163	G	A	0.0000
164	I	A	0.0000
165	E	A	-4.2207
166	I	A	-3.1762
167	R	A	-3.4524
168	E	A	-3.8671
169	K	A	-3.8371
170	D	A	-3.2346
171	P	A	-2.6543
172	S	A	-1.9616
173	K	A	-2.5772
174	L	A	-2.0450
175	E	A	-2.4498
176	P	A	-1.7973
177	L	A	-1.5790
178	L	A	-1.8818
179	S	A	-2.1925
180	K	A	-2.8271
181	L	A	0.0000
182	E	A	-3.5077
183	K	A	-4.1631
184	E	A	-3.2610
185	V	A	-3.0901
186	E	A	-4.2895
187	E	A	-4.2998
188	L	A	0.0000
189	S	A	-3.2787
190	K	A	-4.3319
191	E	A	-4.1421
192	V	A	0.0000
193	K	A	-4.1895
194	K	A	-4.4378
195	L	A	-3.3513
196	S	A	-2.9583
197	E	A	-4.0587
198	E	A	-3.5282
199	N	A	0.0000
200	V	A	-1.1525
201	G	A	-2.3424
202	D	A	-1.7756
203	T	A	-0.9264
204	I	A	-0.4913
205	K	A	-1.2610
206	Y	A	0.3771
207	S	A	-0.1050
208	I	A	0.0102
209	S	A	-0.4214
210	P	A	-0.7340
211	K	A	-1.8218
212	I	A	0.0000
213	L	A	-0.9735
214	E	A	-1.9692
215	A	A	0.0000
216	V	A	0.0000
217	R	A	-2.2373
218	E	A	-1.9015
219	F	A	0.0000
220	P	A	0.0000
221	K	A	-1.9611
222	R	A	-1.9149
223	M	A	0.0000
224	Y	A	0.0000
225	E	A	-2.9667
226	E	A	-2.3507
227	G	A	0.0000
228	E	A	-2.9145
229	K	A	-3.5192
230	I	A	-2.2848
231	A	A	0.0000
232	K	A	-3.6317
233	E	A	-3.1200
234	A	A	-1.8572
235	G	A	-1.8878
236	L	A	-1.5045
237	S	A	-1.8105
238	E	A	-3.1566
239	E	A	-2.8442
240	D	A	-2.0021
241	V	A	0.0000
242	K	A	-1.8587
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	T	A	0.0000
251	V	A	0.0000
252	N	A	0.0000
253	V	A	0.0000
254	Q	A	-1.1693
255	L	A	0.0000
256	C	A	0.0000
257	S	A	-0.3490
258	T	A	-0.3655
259	I	A	0.0000
260	L	A	0.0000
261	N	A	-0.3353
262	V	A	0.3280
263	A	A	-0.6331
264	F	A	0.0000
265	P	A	-0.8740
266	K	A	-1.9247
267	E	A	-2.1611
268	V	A	-0.2319
269	I	A	0.0000
270	G	A	-0.9700
271	E	A	-0.6914
272	I	A	0.0000
273	F	A	-0.0161
274	F	A	0.0000
275	F	A	0.0000
276	P	A	0.0000
277	L	A	0.0422
278	L	A	0.0000
279	L	A	0.0000
280	M	A	-0.9677
281	K	A	-1.8745
282	E	A	-2.0232
283	Q	A	0.0000
284	E	A	-2.3680
285	K	A	-2.9300
286	F	A	-2.3554
287	F	A	0.0000
288	E	A	-2.9001
289	E	A	-3.4865
290	V	A	0.0000
291	V	A	-2.7488
292	K	A	-3.9054
293	K	A	-4.0023
294	Y	A	-3.2331
295	K	A	-3.7832
296	E	A	-4.8496
297	E	A	-4.7896
298	L	A	-3.6800
299	K	A	-4.7117
300	K	A	-4.8387
301	K	A	-4.3766
302	E	A	-3.8271