Project name: ECD_353_1st

Chain sequence(s)	A: NFTLPPNFGKRPTDLRLSVKLVEMLKNIMLLGGCTLEESKIKEVLEKPKVINLALEAQFSYMPKTALELAKVFRLKNIEALAILVCGCSPTGNLSNLYSLKLKGDPNLSYVMTTCSTKCAREHMADLLTKYSRGIYDGDLKDKVPYKGIEISLELVTKPCTEGMEIKSKRPQLLRPLMKELEEEIEKLKKEVTKLSKENVGKSIMFAMTPKILKTSSLMPRLGYEKGLELSTKACLNGRCRRTVSVETGCRNVQLCSTILNVAFPPEVIGPLFFFPLLYMEQQTKEGEELVEKHKEEEKELE
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                                          (00:06:11)
[INFO]       Main:     Simulation completed successfully.                                          (00:06:13)

• Minimal score value: -5.2223
• Maximal score value: 1.8166
• Average score: -1.1324
• Total score value: -341.9909

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	-0.9892
2	F	A	0.3287
3	T	A	-0.1874
4	L	A	-0.2020
5	P	A	-0.2730
6	P	A	-1.0643
7	N	A	-2.0443
8	F	A	-1.2594
9	G	A	-1.3651
10	K	A	-2.2104
11	R	A	-1.6246
12	P	A	-0.9634
13	T	A	-0.8678
14	D	A	-0.8942
15	L	A	0.3813
16	R	A	-0.5669
17	L	A	-0.4253
18	S	A	0.7692
19	V	A	1.5543
20	K	A	-0.0192
21	L	A	0.4605
22	V	A	0.8430
23	E	A	-0.3492
24	M	A	-0.7348
25	L	A	0.0637
26	K	A	-1.2817
27	N	A	-1.0732
28	I	A	0.0000
29	M	A	0.0000
30	L	A	-0.6109
31	L	A	0.0000
32	G	A	0.0000
33	G	A	0.0000
34	C	A	0.0000
35	T	A	-0.2404
36	L	A	0.0000
37	E	A	-2.7755
38	E	A	-3.3366
39	S	A	-2.6673
40	K	A	-2.8974
41	I	A	0.0000
42	K	A	-3.7458
43	E	A	-3.7745
44	V	A	0.0000
45	L	A	-1.8671
46	E	A	-3.3448
47	K	A	-3.1733
48	P	A	-2.1576
49	K	A	-2.5701
50	V	A	0.0000
51	I	A	-1.3286
52	N	A	-2.0933
53	L	A	-1.2532
54	A	A	0.0000
55	L	A	-0.9262
56	E	A	-1.7982
57	A	A	0.0000
58	Q	A	0.0000
59	F	A	0.0000
60	S	A	-0.7705
61	Y	A	-0.5412
62	M	A	0.0000
63	P	A	0.0000
64	K	A	-1.5022
65	T	A	0.0000
66	A	A	0.0000
67	L	A	-1.1839
68	E	A	-2.3266
69	L	A	0.0000
70	A	A	0.0000
71	K	A	-2.2056
72	V	A	-0.0563
73	F	A	-1.3053
74	R	A	-2.6710
75	L	A	-2.1089
76	K	A	-2.8062
77	N	A	-2.1152
78	I	A	-0.6380
79	E	A	-1.3240
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	0.0087
94	L	A	0.2749
95	S	A	0.0000
96	N	A	0.0000
97	L	A	0.1733
98	Y	A	0.0000
99	S	A	0.0000
100	L	A	-0.7374
101	K	A	-1.2978
102	L	A	0.0000
103	K	A	-2.2831
104	G	A	0.0000
105	D	A	0.0000
106	P	A	-0.5610
107	N	A	0.0000
108	L	A	0.0000
109	S	A	0.0000
110	Y	A	0.1520
111	V	A	0.0000
112	M	A	0.0000
113	T	A	0.0000
114	T	A	0.0000
115	C	A	-0.2190
116	S	A	0.0000
117	T	A	0.0000
118	K	A	-2.0159
119	C	A	-1.4451
120	A	A	0.0000
121	R	A	-2.5758
122	E	A	-2.9589
123	H	A	-2.6001
124	M	A	0.0000
125	A	A	-2.6076
126	D	A	-2.7861
127	L	A	-1.6422
128	L	A	0.0000
129	T	A	-2.4815
130	K	A	-2.3047
131	Y	A	-1.4516
132	S	A	0.0000
133	R	A	-2.5821
134	G	A	-1.7649
135	I	A	-1.3226
136	Y	A	-1.5477
137	D	A	-2.5111
138	G	A	-2.1296
139	D	A	-3.0418
140	L	A	0.0000
141	K	A	-3.0655
142	D	A	-2.7130
143	K	A	-1.7680
144	V	A	0.0000
145	P	A	-0.8185
146	Y	A	-0.8239
147	K	A	-1.5519
148	G	A	-1.0130
149	I	A	0.0000
150	E	A	-1.7573
151	I	A	-0.3291
152	S	A	-0.5539
153	L	A	-1.4552
154	E	A	-2.1179
155	L	A	-1.0426
156	V	A	0.0000
157	T	A	-1.5081
158	K	A	-2.7055
159	P	A	0.0000
160	C	A	0.0000
161	T	A	-2.0353
162	E	A	-2.6664
163	G	A	0.0000
164	M	A	-2.4334
165	E	A	-3.3196
166	I	A	-2.4432
167	K	A	-2.7223
168	S	A	-3.0061
169	K	A	-3.3528
170	R	A	-3.2187
171	P	A	-2.4255
172	Q	A	-1.9689
173	L	A	-0.6728
174	L	A	-1.2095
175	R	A	-2.3795
176	P	A	-1.6777
177	L	A	-1.6578
178	M	A	-2.2919
179	K	A	-4.0826
180	E	A	-4.2005
181	L	A	0.0000
182	E	A	-4.7196
183	E	A	-5.1680
184	E	A	-4.4791
185	I	A	0.0000
186	E	A	-4.6869
187	K	A	-4.5263
188	L	A	0.0000
189	K	A	-3.4123
190	K	A	-3.9861
191	E	A	-3.6391
192	V	A	-2.5157
193	T	A	-2.5398
194	K	A	-3.6299
195	L	A	0.0000
196	S	A	-2.3109
197	K	A	-3.7191
198	E	A	-3.3816
199	N	A	0.0000
200	V	A	0.0000
201	G	A	-2.5833
202	K	A	-1.8338
203	S	A	-0.3812
204	I	A	0.0000
205	M	A	0.8420
206	F	A	1.8166
207	A	A	1.0663
208	M	A	0.0000
209	T	A	-0.1768
210	P	A	-0.7283
211	K	A	-1.5493
212	I	A	0.0000
213	L	A	-0.6506
214	K	A	-1.7680
215	T	A	0.0000
216	S	A	0.0000
217	S	A	-1.2388
218	L	A	-0.5410
219	M	A	0.0000
220	P	A	0.0000
221	R	A	-1.9165
222	L	A	-0.7398
223	G	A	0.0000
224	Y	A	0.0000
225	E	A	-2.1124
226	K	A	-1.2069
227	G	A	0.0000
228	L	A	-0.8470
229	E	A	-1.3644
230	L	A	-0.9685
231	S	A	0.0000
232	T	A	-0.9791
233	K	A	-1.5073
234	A	A	-0.8194
235	C	A	-0.1838
236	L	A	-0.8280
237	N	A	-1.8874
238	G	A	-2.0614
239	R	A	-2.9595
240	C	A	-1.6688
241	R	A	-1.5999
242	R	A	-1.5231
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	-0.5977
255	L	A	0.0000
256	C	A	0.0000
257	S	A	-0.4086
258	T	A	-0.4926
259	I	A	0.0000
260	L	A	0.0000
261	N	A	-0.9643
262	V	A	-0.1640
263	A	A	0.0000
264	F	A	0.0000
265	P	A	-0.4695
266	P	A	-0.8141
267	E	A	-1.2783
268	V	A	0.5480
269	I	A	0.0000
270	G	A	-0.1103
271	P	A	0.4310
272	L	A	0.0000
273	F	A	0.1062
274	F	A	0.0000
275	F	A	0.0000
276	P	A	0.0000
277	L	A	-0.0383
278	L	A	0.0000
279	Y	A	0.0000
280	M	A	-0.6418
281	E	A	-1.7588
282	Q	A	-1.9163
283	Q	A	0.0000
284	T	A	-1.7552
285	K	A	-3.0802
286	E	A	-2.5099
287	G	A	0.0000
288	E	A	-2.7820
289	E	A	-3.5525
290	L	A	-2.6852
291	V	A	0.0000
292	E	A	-4.4799
293	K	A	-4.5277
294	H	A	0.0000
295	K	A	-4.5435
296	E	A	-5.2223
297	E	A	-4.9531
298	E	A	-4.0409
299	K	A	-4.3743
300	E	A	-3.8080
301	L	A	-1.5904
302	E	A	-2.5456