Project name: ECD_970_1st

Chain sequence(s)	A: NFTLPPNFGKRPTDLELSVKLVEMLKNIMLLSGCTLEKSKIKEVLDKPKVIDLALEAQFTIMPKTALELAKVFRLKNIEALAILVCGCSPTGNLSNVFSMKVKGDLNLSWVMTTCSTRCAREHMADLLTEYSRGIYDGDLKDKVPYKGIEISLKLVEKPCTEGIELKSKRPQLLRELKKKLEEKVEELSKEVTELSKENVGKSIMFAMTPKILKTSSEMPRRGIEEGYKISEEACLNGRCRRTVSMETGCRNVQLCSTILNVAFPPEVIGPLFFFPLLYMENQLKEGEKLVKELKEEEKKLE
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                                          (00:07:32)
[INFO]       Main:     Simulation completed successfully.                                          (00:07:33)

• Minimal score value: -5.5971
• Maximal score value: 2.2746
• Average score: -1.2127
• Total score value: -366.2224

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	-0.2754
2	F	A	1.4047
3	T	A	0.7010
4	L	A	0.0981
5	P	A	-0.4150
6	P	A	-1.0769
7	N	A	-2.2351
8	F	A	0.0000
9	G	A	-1.4152
10	K	A	-2.3335
11	R	A	-1.5424
12	P	A	-0.8491
13	T	A	-0.7090
14	D	A	-0.6786
15	L	A	0.8162
16	E	A	-0.4430
17	L	A	0.0000
18	S	A	1.0139
19	V	A	1.4687
20	K	A	-0.3354
21	L	A	0.0000
22	V	A	0.2323
23	E	A	-0.6257
24	M	A	-0.8536
25	L	A	0.0000
26	K	A	-1.2846
27	N	A	0.0000
28	I	A	-0.4245
29	M	A	0.0000
30	L	A	-0.5674
31	L	A	-0.7772
32	S	A	0.0383
33	G	A	0.0000
34	C	A	0.0000
35	T	A	-0.2177
36	L	A	0.0000
37	E	A	-2.1770
38	K	A	-2.9785
39	S	A	-2.4943
40	K	A	-2.5260
41	I	A	-2.3328
42	K	A	-3.5290
43	E	A	-3.5821
44	V	A	0.0000
45	L	A	-1.8746
46	D	A	-3.0525
47	K	A	-2.8118
48	P	A	-2.2148
49	K	A	-2.7393
50	V	A	0.0000
51	I	A	0.0000
52	D	A	-2.8488
53	L	A	-1.6039
54	A	A	0.0000
55	L	A	-1.2668
56	E	A	-1.9989
57	A	A	0.0000
58	Q	A	0.0000
59	F	A	-0.6306
60	T	A	-0.8712
61	I	A	0.0000
62	M	A	0.0000
63	P	A	0.0000
64	K	A	-2.0312
65	T	A	0.0000
66	A	A	0.0000
67	L	A	-1.1352
68	E	A	-2.0198
69	L	A	0.0000
70	A	A	0.0000
71	K	A	-1.6047
72	V	A	0.3031
73	F	A	-0.9469
74	R	A	-2.3560
75	L	A	-1.7950
76	K	A	-2.5245
77	N	A	-1.9451
78	I	A	-0.4129
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	0.1029
94	L	A	0.5535
95	S	A	0.0000
96	N	A	0.0000
97	V	A	1.0473
98	F	A	0.0000
99	S	A	0.0000
100	M	A	-0.1201
101	K	A	-1.4716
102	V	A	0.0000
103	K	A	-1.9531
104	G	A	0.0000
105	D	A	-1.4110
106	L	A	-0.3390
107	N	A	-0.8503
108	L	A	0.0000
109	S	A	0.0000
110	W	A	-0.1290
111	V	A	0.0000
112	M	A	0.0000
113	T	A	-0.0993
114	T	A	-0.2925
115	C	A	-0.4963
116	S	A	0.0000
117	T	A	-1.3747
118	R	A	-2.4461
119	C	A	-1.6993
120	A	A	0.0000
121	R	A	-3.4790
122	E	A	-3.6290
123	H	A	-2.9648
124	M	A	0.0000
125	A	A	-2.1017
126	D	A	-2.6062
127	L	A	-1.6272
128	L	A	0.0000
129	T	A	-2.3850
130	E	A	-2.6204
131	Y	A	0.0000
132	S	A	0.0000
133	R	A	-3.0209
134	G	A	-1.8587
135	I	A	-1.2463
136	Y	A	-1.9041
137	D	A	-2.7163
138	G	A	-2.6634
139	D	A	-3.5676
140	L	A	0.0000
141	K	A	-3.3051
142	D	A	-3.2249
143	K	A	-2.2720
144	V	A	0.0000
145	P	A	-1.1937
146	Y	A	-1.2973
147	K	A	-1.6287
148	G	A	-0.5789
149	I	A	0.0000
150	E	A	-2.2083
151	I	A	-0.4014
152	S	A	0.0000
153	L	A	0.0000
154	K	A	-2.3157
155	L	A	-1.1609
156	V	A	0.0000
157	E	A	-2.5186
158	K	A	-2.8102
159	P	A	-1.9641
160	C	A	-1.4382
161	T	A	-1.8856
162	E	A	-2.7403
163	G	A	0.0000
164	I	A	-1.8229
165	E	A	-3.1791
166	L	A	-2.1530
167	K	A	-2.3662
168	S	A	-2.6117
169	K	A	-2.9674
170	R	A	-2.7179
171	P	A	-2.1223
172	Q	A	-2.0877
173	L	A	-1.2518
174	L	A	0.0000
175	R	A	-3.4818
176	E	A	-3.6621
177	L	A	-2.8093
178	K	A	-3.6229
179	K	A	-4.9891
180	K	A	-4.8675
181	L	A	0.0000
182	E	A	-4.7649
183	E	A	-5.1804
184	K	A	-4.3224
185	V	A	-3.7261
186	E	A	-4.6915
187	E	A	-4.5005
188	L	A	0.0000
189	S	A	-3.0624
190	K	A	-3.9153
191	E	A	-3.8405
192	V	A	0.0000
193	T	A	-2.6148
194	E	A	-3.7628
195	L	A	-2.9057
196	S	A	-2.3227
197	K	A	-3.5784
198	E	A	-3.3908
199	N	A	0.0000
200	V	A	0.0000
201	G	A	-2.1278
202	K	A	-1.4890
203	S	A	0.4514
204	I	A	0.9341
205	M	A	1.4655
206	F	A	2.2746
207	A	A	0.0000
208	M	A	1.0249
209	T	A	0.3720
210	P	A	-0.4406
211	K	A	-1.2167
212	I	A	0.0000
213	L	A	-0.0923
214	K	A	-1.1645
215	T	A	0.0000
216	S	A	0.0000
217	S	A	-1.1802
218	E	A	-1.0354
219	M	A	0.0000
220	P	A	0.0000
221	R	A	-2.3408
222	R	A	-2.3043
223	G	A	0.0000
224	I	A	0.0000
225	E	A	-3.1035
226	E	A	-3.0113
227	G	A	0.0000
228	Y	A	-2.2171
229	K	A	-3.0229
230	I	A	-1.9576
231	S	A	0.0000
232	E	A	-3.1011
233	E	A	-2.5753
234	A	A	-1.4054
235	C	A	-0.8292
236	L	A	-1.2494
237	N	A	-2.0864
238	G	A	-2.1207
239	R	A	-2.7808
240	C	A	0.0000
241	R	A	-2.0659
242	R	A	-1.8734
243	T	A	0.0000
244	V	A	0.0000
245	S	A	0.0000
246	M	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	-0.1199
255	L	A	0.0000
256	C	A	0.0000
257	S	A	0.0000
258	T	A	0.0000
259	I	A	0.0000
260	L	A	0.0000
261	N	A	0.6673
262	V	A	1.9788
263	A	A	0.4094
264	F	A	0.0000
265	P	A	0.0251
266	P	A	-0.4626
267	E	A	-1.1200
268	V	A	0.8763
269	I	A	0.0000
270	G	A	0.0000
271	P	A	0.0000
272	L	A	0.0000
273	F	A	0.0000
274	F	A	0.0000
275	F	A	0.0000
276	P	A	0.0000
277	L	A	0.2962
278	L	A	0.0069
279	Y	A	0.0000
280	M	A	-0.5478
281	E	A	-1.8737
282	N	A	-1.7585
283	Q	A	0.0000
284	L	A	-1.6812
285	K	A	-3.1955
286	E	A	-2.6306
287	G	A	0.0000
288	E	A	-3.7981
289	K	A	-3.6736
290	L	A	-2.9737
291	V	A	-3.3409
292	K	A	-4.7778
293	E	A	-4.7481
294	L	A	-4.0765
295	K	A	-5.1666
296	E	A	-5.5971
297	E	A	-5.4303
298	E	A	-4.9699
299	K	A	-4.8344
300	K	A	-4.0205
301	L	A	-1.8013
302	E	A	-2.7225