Project name: sol_323_1st

Chain sequence(s)	A: KFKLPEDFGKRPSDLRLSVLLVEMLRDILLRTGCKLSREEIEKVKADPTVIDLALKIRFEEAPKLAKELAEELRLKNIEALALLLCGASPTGNLALVYSERVDANLESVLVIWFEDNRYAREHIPELIKKYSEGIYPGDLTDKVPYKGIEISLELVKKPIEEGIKIREEDPSLLEPLLKELEEKVKRLREEVKRLSEENVGDTIKYSLSPKIEEAARRFPRLLYEKGYEAAKKAGLSEKDIKGIALMAASRNVQLCSTILNVAFPLEVIGEVFFFPLILMRSSEEFFEEVVKELKEKEEALK
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                                          (00:07:59)
[INFO]       Main:     Simulation completed successfully.                                          (00:08:00)

• Minimal score value: -4.9799
• Maximal score value: 1.2774
• Average score: -1.3687
• Total score value: -413.3401

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	-1.8976
2	F	A	-1.4191
3	K	A	-2.2447
4	L	A	-1.1997
5	P	A	-1.4957
6	E	A	-3.0593
7	D	A	-3.2583
8	F	A	-2.0466
9	G	A	-1.6755
10	K	A	-2.5940
11	R	A	-2.0265
12	P	A	-1.0844
13	S	A	-0.9761
14	D	A	-0.9414
15	L	A	0.3926
16	R	A	-0.6399
17	L	A	-0.1924
18	S	A	0.7206
19	V	A	1.2774
20	L	A	0.2678
21	L	A	0.7111
22	V	A	0.7478
23	E	A	-0.8924
24	M	A	-0.9682
25	L	A	0.0008
26	R	A	-1.3456
27	D	A	-1.3419
28	I	A	-0.6537
29	L	A	0.0000
30	L	A	-1.2173
31	R	A	-1.4678
32	T	A	0.0000
33	G	A	0.0000
34	C	A	0.0000
35	K	A	-1.3406
36	L	A	0.0000
37	S	A	-2.8904
38	R	A	-3.8721
39	E	A	-4.1981
40	E	A	-4.2047
41	I	A	0.0000
42	E	A	-4.7750
43	K	A	-4.5175
44	V	A	0.0000
45	K	A	-3.4863
46	A	A	-2.4629
47	D	A	-2.3567
48	P	A	-1.7063
49	T	A	-1.0837
50	V	A	0.0000
51	I	A	-1.4147
52	D	A	-2.1187
53	L	A	-0.9541
54	A	A	0.0000
55	L	A	0.0000
56	K	A	-1.9569
57	I	A	0.0000
58	R	A	0.0000
59	F	A	0.0000
60	E	A	-2.8298
61	E	A	-2.5099
62	A	A	0.0000
63	P	A	0.0000
64	K	A	-2.6718
65	L	A	-1.9745
66	A	A	0.0000
67	K	A	-2.3886
68	E	A	-3.5607
69	L	A	0.0000
70	A	A	0.0000
71	E	A	-4.1521
72	E	A	-3.7841
73	L	A	-2.9039
74	R	A	-3.8351
75	L	A	-2.7978
76	K	A	-2.8688
77	N	A	-2.0699
78	I	A	-0.5156
79	E	A	0.0000
80	A	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	A	A	0.0000
89	S	A	0.0000
90	P	A	0.0000
91	T	A	0.0000
92	G	A	0.0000
93	N	A	-0.3657
94	L	A	0.0000
95	A	A	0.0000
96	L	A	0.0000
97	V	A	-0.1518
98	Y	A	0.0000
99	S	A	0.0000
100	E	A	-2.2934
101	R	A	-2.2858
102	V	A	0.0000
103	D	A	-2.8439
104	A	A	0.0000
105	N	A	-1.6616
106	L	A	-1.1012
107	E	A	-1.7921
108	S	A	0.0000
109	V	A	0.0000
110	L	A	0.0000
111	V	A	0.0000
112	I	A	0.0000
113	W	A	0.0000
114	F	A	-0.4313
115	E	A	-1.2354
116	D	A	0.0000
117	N	A	0.0000
118	R	A	-1.6047
119	Y	A	-0.7922
120	A	A	0.0000
121	R	A	-1.3926
122	E	A	-2.3610
123	H	A	-1.8382
124	I	A	0.0000
125	P	A	-2.5931
126	E	A	-3.1694
127	L	A	0.0000
128	I	A	0.0000
129	K	A	-3.6700
130	K	A	-3.4139
131	Y	A	-2.2026
132	S	A	0.0000
133	E	A	-2.9739
134	G	A	-1.5079
135	I	A	-0.9444
136	Y	A	-0.9811
137	P	A	-0.9998
138	G	A	-1.5986
139	D	A	-2.8761
140	L	A	0.0000
141	T	A	-2.2486
142	D	A	-2.1374
143	K	A	-1.2751
144	V	A	-0.5638
145	P	A	-0.6489
146	Y	A	-0.7548
147	K	A	-1.4067
148	G	A	-0.7773
149	I	A	0.0000
150	E	A	-1.2401
151	I	A	0.0262
152	S	A	-0.5444
153	L	A	-1.2367
154	E	A	-2.0702
155	L	A	-1.0209
156	V	A	0.0000
157	K	A	-2.5093
158	K	A	-3.3673
159	P	A	0.0000
160	I	A	0.0000
161	E	A	-3.2391
162	E	A	-3.2043
163	G	A	0.0000
164	I	A	0.0000
165	K	A	-4.0241
166	I	A	-2.9025
167	R	A	-3.3200
168	E	A	-4.0716
169	E	A	-3.8590
170	D	A	-2.9706
171	P	A	-2.1730
172	S	A	-0.9308
173	L	A	-0.2509
174	L	A	-1.4910
175	E	A	-2.1820
176	P	A	-1.5954
177	L	A	-1.6484
178	L	A	-2.5457
179	K	A	-4.0741
180	E	A	-4.1500
181	L	A	0.0000
182	E	A	-4.4092
183	E	A	-4.8565
184	K	A	-4.5531
185	V	A	-3.9244
186	K	A	-4.8403
187	R	A	-4.8204
188	L	A	-3.8053
189	R	A	-4.2506
190	E	A	-4.6200
191	E	A	-3.6054
192	V	A	0.0000
193	K	A	-3.7155
194	R	A	-3.6927
195	L	A	0.0000
196	S	A	-2.5437
197	E	A	-3.8034
198	E	A	-3.4346
199	N	A	0.0000
200	V	A	-1.5170
201	G	A	-2.7331
202	D	A	-2.6629
203	T	A	-1.3298
204	I	A	-0.8889
205	K	A	-1.6429
206	Y	A	0.1527
207	S	A	0.0000
208	L	A	-0.4984
209	S	A	-0.8225
210	P	A	-1.0068
211	K	A	-2.2872
212	I	A	0.0000
213	E	A	-2.2315
214	E	A	-1.9105
215	A	A	0.0000
216	A	A	0.0000
217	R	A	-2.2473
218	R	A	-1.2068
219	F	A	0.0000
220	P	A	0.0000
221	R	A	-1.0425
222	L	A	-0.7149
223	L	A	0.0000
224	Y	A	0.0000
225	E	A	-2.4873
226	K	A	-2.3302
227	G	A	0.0000
228	Y	A	-2.3253
229	E	A	-3.5200
230	A	A	-2.3714
231	A	A	0.0000
232	K	A	-3.5583
233	K	A	-3.0697
234	A	A	-1.7280
235	G	A	-1.9083
236	L	A	-1.4409
237	S	A	-1.6267
238	E	A	-2.6730
239	K	A	-2.3883
240	D	A	-1.6971
241	I	A	0.0000
242	K	A	-1.4242
243	G	A	0.0000
244	I	A	0.0000
245	A	A	0.0000
246	L	A	0.0000
247	M	A	0.0000
248	A	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	-1.2327
255	L	A	0.0000
256	C	A	0.0000
257	S	A	-0.5547
258	T	A	-0.5804
259	I	A	0.0000
260	L	A	0.0000
261	N	A	-0.7482
262	V	A	0.1735
263	A	A	0.0000
264	F	A	0.0000
265	P	A	-0.1398
266	L	A	-0.3772
267	E	A	-1.1115
268	V	A	0.8826
269	I	A	0.0000
270	G	A	-0.6112
271	E	A	-0.5829
272	V	A	0.0000
273	F	A	0.0037
274	F	A	0.0000
275	F	A	0.0000
276	P	A	0.0000
277	L	A	0.0905
278	I	A	0.0000
279	L	A	0.0000
280	M	A	-0.7653
281	R	A	-1.4117
282	S	A	-1.8520
283	S	A	0.0000
284	E	A	-2.1507
285	E	A	-2.9986
286	F	A	0.0000
287	F	A	0.0000
288	E	A	-2.6544
289	E	A	-3.1641
290	V	A	0.0000
291	V	A	0.0000
292	K	A	-4.0301
293	E	A	-4.5443
294	L	A	-3.8596
295	K	A	-4.5451
296	E	A	-4.9799
297	K	A	-4.7107
298	E	A	-4.6078
299	E	A	-4.3078
300	A	A	-2.3615
301	L	A	-1.2144
302	K	A	-2.1689