Project name: ECD_215_1st

Chain sequence(s)	A: NFTLPPNFGKRPTDLELSVKLVEMLENIMLLSGCTLEESKIKKVLKKPKYIDLALEAQFTIMPKTALELAKVFRLKNIEALAILVCGCSPTGNLSNLYSLQLKGDLNLSWVMTTCSTKCANEHMPELLEKYSRGIYDGDLKDKVPYKGIEISLELVTKPCTKGIELKSKRPQLLRKETKELKEKVEELTKEVTKLSKENVGKSIMFAMTPKILRTSSLMPRLGYKLGLEKSKAACLNGRCRRTVSVETGCRNVQLCSTILNVAFPPEVIGPLFFFPLLYMQSQREEGEKLVKEYKEEEKKKE
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                                          (00:07:00)
[INFO]       Main:     Simulation completed successfully.                                          (00:07:02)

• Minimal score value: -5.7114
• Maximal score value: 1.7253
• Average score: -1.1648
• Total score value: -351.7563

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	N	A	-0.8161
2	F	A	0.3184
3	T	A	-0.1110
4	L	A	-0.1185
5	P	A	-0.2428
6	P	A	-1.0589
7	N	A	-2.0616
8	F	A	-1.2607
9	G	A	-1.4526
10	K	A	-2.1920
11	R	A	-1.6040
12	P	A	-0.9157
13	T	A	-0.7151
14	D	A	-0.7434
15	L	A	0.5148
16	E	A	-0.2730
17	L	A	-0.2246
18	S	A	0.8546
19	V	A	1.7253
20	K	A	0.1819
21	L	A	0.5593
22	V	A	1.1478
23	E	A	-0.2321
24	M	A	-0.7156
25	L	A	0.0000
26	E	A	-1.2759
27	N	A	0.0000
28	I	A	0.0000
29	M	A	0.0000
30	L	A	-0.7011
31	L	A	-0.8255
32	S	A	0.0000
33	G	A	0.0000
34	C	A	0.0000
35	T	A	-0.5692
36	L	A	0.0000
37	E	A	-3.1910
38	E	A	-3.5343
39	S	A	-2.8240
40	K	A	-3.0371
41	I	A	0.0000
42	K	A	-3.6926
43	K	A	-3.6042
44	V	A	0.0000
45	L	A	-1.4732
46	K	A	-2.8990
47	K	A	-2.6074
48	P	A	-1.6246
49	K	A	-1.5478
50	Y	A	-1.0058
51	I	A	-0.9623
52	D	A	-2.0969
53	L	A	0.0000
54	A	A	0.0000
55	L	A	-0.5335
56	E	A	-1.2693
57	A	A	0.0000
58	Q	A	0.0000
59	F	A	-0.1823
60	T	A	-0.4925
61	I	A	0.0000
62	M	A	0.0000
63	P	A	0.0000
64	K	A	-1.4201
65	T	A	0.0000
66	A	A	0.0000
67	L	A	-1.2031
68	E	A	-2.2822
69	L	A	0.0000
70	A	A	0.0000
71	K	A	-2.1779
72	V	A	0.0080
73	F	A	-1.1487
74	R	A	-2.5634
75	L	A	-1.9636
76	K	A	-2.6873
77	N	A	-2.0073
78	I	A	-0.4619
79	E	A	0.0000
80	A	A	0.0000
81	L	A	0.0000
82	A	A	0.0000
83	I	A	0.0000
84	L	A	0.0000
85	V	A	0.0000
86	C	A	0.0000
87	G	A	0.0000
88	C	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	0.0000
94	L	A	0.2584
95	S	A	0.0000
96	N	A	0.0000
97	L	A	0.3127
98	Y	A	0.0000
99	S	A	0.0000
100	L	A	-0.4733
101	Q	A	-1.1863
102	L	A	0.0000
103	K	A	-2.3716
104	G	A	0.0000
105	D	A	0.0000
106	L	A	0.0000
107	N	A	-1.2011
108	L	A	0.0000
109	S	A	0.0000
110	W	A	0.1015
111	V	A	0.0000
112	M	A	0.0000
113	T	A	0.0000
114	T	A	-0.3923
115	C	A	-0.1789
116	S	A	0.0000
117	T	A	0.0000
118	K	A	-2.0401
119	C	A	-1.2978
120	A	A	0.0000
121	N	A	-2.1385
122	E	A	-2.7079
123	H	A	-2.2237
124	M	A	0.0000
125	P	A	-2.8359
126	E	A	-3.1935
127	L	A	0.0000
128	L	A	0.0000
129	E	A	-3.7117
130	K	A	-2.7531
131	Y	A	-1.6394
132	S	A	0.0000
133	R	A	-2.9831
134	G	A	-1.7328
135	I	A	-1.2827
136	Y	A	-1.6381
137	D	A	-2.6051
138	G	A	-2.2336
139	D	A	-3.4781
140	L	A	0.0000
141	K	A	-3.3793
142	D	A	-2.7722
143	K	A	-1.6944
144	V	A	-0.7055
145	P	A	-0.5173
146	Y	A	-0.2331
147	K	A	-0.9891
148	G	A	-0.5084
149	I	A	0.0000
150	E	A	-1.6105
151	I	A	0.4676
152	S	A	-0.1388
153	L	A	-1.2138
154	E	A	-1.8898
155	L	A	-0.8298
156	V	A	0.0000
157	T	A	-1.4094
158	K	A	-2.7150
159	P	A	0.0000
160	C	A	0.0000
161	T	A	-1.8598
162	K	A	-2.4601
163	G	A	0.0000
164	I	A	-2.1026
165	E	A	-2.6312
166	L	A	-2.2850
167	K	A	-2.5628
168	S	A	-2.7570
169	K	A	-3.0785
170	R	A	-2.9500
171	P	A	-2.4801
172	Q	A	-2.3280
173	L	A	-1.5767
174	L	A	-2.3773
175	R	A	-3.5552
176	K	A	-3.8450
177	E	A	-3.5313
178	T	A	-3.4191
179	K	A	-4.9969
180	E	A	-5.1408
181	L	A	0.0000
182	K	A	-4.8071
183	E	A	-5.2502
184	K	A	-4.4329
185	V	A	0.0000
186	E	A	-4.7428
187	E	A	-4.4953
188	L	A	0.0000
189	T	A	-2.9472
190	K	A	-3.7694
191	E	A	-3.4573
192	V	A	0.0000
193	T	A	-2.6792
194	K	A	-3.4618
195	L	A	-2.6729
196	S	A	-2.2780
197	K	A	-3.4866
198	E	A	-3.2687
199	N	A	0.0000
200	V	A	-1.2946
201	G	A	-1.8602
202	K	A	-1.8175
203	S	A	-0.1696
204	I	A	0.0000
205	M	A	0.7269
206	F	A	1.6876
207	A	A	0.8233
208	M	A	0.0000
209	T	A	-0.1127
210	P	A	-0.6278
211	K	A	-1.2887
212	I	A	0.0000
213	L	A	-0.5914
214	R	A	-1.7954
215	T	A	0.0000
216	S	A	0.0000
217	S	A	-1.1603
218	L	A	-0.6843
219	M	A	0.0000
220	P	A	0.0000
221	R	A	-1.8809
222	L	A	-0.5795
223	G	A	0.0000
224	Y	A	0.0000
225	K	A	-1.3907
226	L	A	-0.8902
227	G	A	0.0000
228	L	A	-1.1103
229	E	A	-2.0423
230	K	A	-1.7488
231	S	A	0.0000
232	K	A	-1.8482
233	A	A	-0.8928
234	A	A	-0.6634
235	C	A	-0.3313
236	L	A	0.0000
237	N	A	-2.2001
238	G	A	-2.2957
239	R	A	-3.0622
240	C	A	0.0000
241	R	A	-2.0894
242	R	A	-1.5063
243	T	A	0.0000
244	V	A	0.0000
245	S	A	0.0000
246	V	A	0.0000
247	E	A	0.0000
248	T	A	0.0000
249	G	A	0.0000
250	C	A	0.0000
251	R	A	0.0000
252	N	A	0.0000
253	V	A	0.0000
254	Q	A	-0.6080
255	L	A	0.0000
256	C	A	0.0000
257	S	A	-0.3771
258	T	A	-0.4315
259	I	A	0.0000
260	L	A	0.0000
261	N	A	-0.9578
262	V	A	-0.0249
263	A	A	0.0000
264	F	A	0.0000
265	P	A	-0.4876
266	P	A	-0.8228
267	E	A	-1.1948
268	V	A	0.5144
269	I	A	0.0000
270	G	A	-0.1706
271	P	A	0.3958
272	L	A	0.0000
273	F	A	0.1218
274	F	A	0.0000
275	F	A	0.0000
276	P	A	0.0000
277	L	A	0.1446
278	L	A	0.0000
279	Y	A	0.0000
280	M	A	-0.5123
281	Q	A	-1.4089
282	S	A	-1.6654
283	Q	A	0.0000
284	R	A	-2.0856
285	E	A	-3.0885
286	E	A	-2.8407
287	G	A	0.0000
288	E	A	-2.9098
289	K	A	-3.3430
290	L	A	-2.6143
291	V	A	0.0000
292	K	A	-4.0767
293	E	A	-4.3365
294	Y	A	-3.8887
295	K	A	-4.8945
296	E	A	-5.6236
297	E	A	-5.7114
298	E	A	-5.3890
299	K	A	-5.5748
300	K	A	-5.3836
301	K	A	-4.8935
302	E	A	-4.1760