Project name: sol_368_1st

Chain sequence(s)	A: TVKFPEDFGKRESDLKLSVLLVEMLRDINLRLGCRLSREEIEAVRADPRYIDLALEIVYTTRPKLAKELAEKLRLKNIESLALLLCGVSPPGNLGLEYVSKVDGNLELAYVIFFESWRYFREHGPELLKEYSKGIYPEDLSDKVPYKGIEISLKLVEKPILEGIELREKDPSKLEKVLKELEKRIEELKEEVKKLSEENVGDTLKYSLDPKILKAAEELPKRMYEEGKKKAEEAGLSEEDVIAIALLAATVNVQLCSTILNVAFPKEVISKVFFFPLIVMRETEKFLEEFIKKYKEEKEKKK
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                                          (00:09:06)
[INFO]       Main:     Simulation completed successfully.                                          (00:09:07)

• Minimal score value: -5.6865
• Maximal score value: 1.3428
• Average score: -1.4943
• Total score value: -451.2722

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	T	A	-0.3253
2	V	A	-0.3910
3	K	A	-1.2274
4	F	A	0.0518
5	P	A	-1.1580
6	E	A	-2.7164
7	D	A	-2.9370
8	F	A	-1.5378
9	G	A	-1.6753
10	K	A	-2.8702
11	R	A	-2.6056
12	E	A	-2.2512
13	S	A	-1.4522
14	D	A	-1.1990
15	L	A	0.0672
16	K	A	-0.6136
17	L	A	-0.2391
18	S	A	0.7139
19	V	A	1.3428
20	L	A	0.0000
21	L	A	0.9129
22	V	A	0.9078
23	E	A	-0.2239
24	M	A	-0.6425
25	L	A	0.0174
26	R	A	-1.5414
27	D	A	-1.3065
28	I	A	-0.6499
29	N	A	0.0000
30	L	A	-1.0598
31	R	A	-1.3187
32	L	A	0.0000
33	G	A	0.0000
34	C	A	0.0000
35	R	A	-1.3776
36	L	A	0.0000
37	S	A	0.0000
38	R	A	-3.6979
39	E	A	-4.0143
40	E	A	-3.8084
41	I	A	0.0000
42	E	A	-3.8258
43	A	A	-2.6061
44	V	A	0.0000
45	R	A	-2.7442
46	A	A	-1.6324
47	D	A	-1.7234
48	P	A	-1.8801
49	R	A	-2.5540
50	Y	A	-1.5249
51	I	A	-1.6308
52	D	A	-2.6630
53	L	A	-1.6949
54	A	A	0.0000
55	L	A	-1.2373
56	E	A	-2.1301
57	I	A	0.0000
58	V	A	0.0000
59	Y	A	0.0000
60	T	A	-0.9010
61	T	A	0.0000
62	R	A	0.0000
63	P	A	0.0000
64	K	A	-1.7005
65	L	A	-1.5600
66	A	A	0.0000
67	K	A	-2.2276
68	E	A	-3.5318
69	L	A	0.0000
70	A	A	0.0000
71	E	A	-4.1848
72	K	A	-3.7546
73	L	A	0.0000
74	R	A	-3.8621
75	L	A	-2.8723
76	K	A	-2.8882
77	N	A	-2.1366
78	I	A	-0.8377
79	E	A	0.0000
80	S	A	-1.5972
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	-0.0691
94	L	A	-0.0010
95	G	A	0.0000
96	L	A	0.0000
97	E	A	-0.4353
98	Y	A	0.0000
99	V	A	0.0000
100	S	A	-1.1642
101	K	A	-1.5494
102	V	A	-1.3549
103	D	A	-2.1067
104	G	A	-1.8616
105	N	A	-1.4640
106	L	A	-1.0143
107	E	A	-1.6294
108	L	A	0.0000
109	A	A	0.0000
110	Y	A	0.0070
111	V	A	0.0000
112	I	A	0.0000
113	F	A	0.0000
114	F	A	-0.1254
115	E	A	-0.7060
116	S	A	0.0000
117	W	A	0.0000
118	R	A	-1.9156
119	Y	A	-1.2000
120	F	A	0.0000
121	R	A	-2.2298
122	E	A	-2.7721
123	H	A	-2.1909
124	G	A	0.0000
125	P	A	-2.6596
126	E	A	-3.1240
127	L	A	-1.9279
128	L	A	0.0000
129	K	A	-3.6588
130	E	A	-3.4370
131	Y	A	0.0000
132	S	A	0.0000
133	K	A	-3.1280
134	G	A	-1.7385
135	I	A	-1.2969
136	Y	A	-1.5470
137	P	A	-1.9318
138	E	A	-3.1057
139	D	A	-3.7985
140	L	A	0.0000
141	S	A	-2.7503
142	D	A	-2.4940
143	K	A	-1.2324
144	V	A	0.0000
145	P	A	-0.7300
146	Y	A	-0.7382
147	K	A	-1.5758
148	G	A	-1.1374
149	I	A	0.0000
150	E	A	-1.7894
151	I	A	-0.2544
152	S	A	-0.6225
153	L	A	-1.2231
154	K	A	-1.9151
155	L	A	-1.0978
156	V	A	0.0000
157	E	A	-1.8332
158	K	A	-2.8077
159	P	A	-2.2344
160	I	A	0.0000
161	L	A	-1.8676
162	E	A	-2.8150
163	G	A	0.0000
164	I	A	0.0000
165	E	A	-3.9590
166	L	A	-3.1771
167	R	A	-3.8335
168	E	A	-4.0410
169	K	A	-3.8740
170	D	A	-3.1614
171	P	A	-2.8188
172	S	A	-1.9795
173	K	A	-2.6542
174	L	A	-3.0723
175	E	A	-3.5462
176	K	A	-3.7722
177	V	A	-2.6762
178	L	A	-3.2258
179	K	A	-4.4848
180	E	A	-4.4702
181	L	A	0.0000
182	E	A	-4.4125
183	K	A	-4.9401
184	R	A	-4.3153
185	I	A	0.0000
186	E	A	-4.8745
187	E	A	-4.7939
188	L	A	0.0000
189	K	A	-4.1012
190	E	A	-4.8029
191	E	A	-3.9312
192	V	A	-3.2324
193	K	A	-4.2738
194	K	A	-4.2755
195	L	A	-3.0918
196	S	A	-2.8054
197	E	A	-3.9394
198	E	A	-3.5217
199	N	A	0.0000
200	V	A	-1.0435
201	G	A	-2.6198
202	D	A	-2.6830
203	T	A	-1.2894
204	L	A	-0.6372
205	K	A	-2.0072
206	Y	A	-1.0446
207	S	A	-0.6295
208	L	A	-0.7514
209	D	A	-1.3252
210	P	A	-1.2087
211	K	A	-2.2200
212	I	A	0.0000
213	L	A	-0.8822
214	K	A	-1.8312
215	A	A	0.0000
216	A	A	0.0000
217	E	A	-2.0012
218	E	A	-1.4373
219	L	A	0.0000
220	P	A	0.0000
221	K	A	-2.0268
222	R	A	-2.1354
223	M	A	0.0000
224	Y	A	0.0000
225	E	A	-3.2594
226	E	A	-2.8174
227	G	A	0.0000
228	K	A	-3.2410
229	K	A	-3.9239
230	K	A	-3.2268
231	A	A	0.0000
232	E	A	-3.9580
233	E	A	-3.4406
234	A	A	-2.1645
235	G	A	-1.9881
236	L	A	-1.5439
237	S	A	-1.7043
238	E	A	-3.0463
239	E	A	-2.5733
240	D	A	0.0000
241	V	A	0.0000
242	I	A	0.0000
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	A	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	-1.2101
255	L	A	0.0000
256	C	A	0.0000
257	S	A	-0.2758
258	T	A	-0.3047
259	I	A	0.0000
260	L	A	0.0000
261	N	A	-0.2582
262	V	A	0.3431
263	A	A	0.0000
264	F	A	0.0000
265	P	A	-1.2840
266	K	A	-2.5136
267	E	A	-2.5864
268	V	A	-1.1137
269	I	A	0.0000
270	S	A	-1.3829
271	K	A	-1.0895
272	V	A	0.0000
273	F	A	-0.0036
274	F	A	0.0000
275	F	A	0.0000
276	P	A	0.0000
277	L	A	0.1672
278	I	A	0.1090
279	V	A	0.0000
280	M	A	-0.5194
281	R	A	-1.4571
282	E	A	-1.9205
283	T	A	0.0000
284	E	A	-2.3665
285	K	A	-3.3534
286	F	A	-2.4051
287	L	A	0.0000
288	E	A	-3.8922
289	E	A	-4.0182
290	F	A	0.0000
291	I	A	-3.0326
292	K	A	-4.4424
293	K	A	-4.7457
294	Y	A	-3.6693
295	K	A	-4.3844
296	E	A	-5.5522
297	E	A	-5.6865
298	K	A	-4.9779
299	E	A	-5.6231
300	K	A	-5.3247
301	K	A	-4.7927
302	K	A	-4.0039