Project name: ECD_857_1st

Chain sequence(s)	A: NFTLPPNFGKRPTDLKLSVKLVEMLRDIMLRSGCTLEESKIKEVLEKPKYIDLALKAQFEVMPETALELAKVFRLKNIEALAILVCGCSPTGNLSNVLSLKMKGDPNLSWVMTTCSTECARKNMADLLEKYSRGIYDGDLKDKVPYKGIKISLELVKKPCTEGIELKSKRPQLLRKELKKLEERVEKLSEEVTRLSEENVGKSIMFAMTPKIEETSSLMPRLGFEKGLKISEEECLNGRCRRTVSVETGCRNVQLCSTILNVAFPPEVIGPLFFFPLLYMRNQLKEGEERVEKLKEEEKKKL
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                                          (00:06:58)
[INFO]       Main:     Simulation completed successfully.                                          (00:06:59)

• Minimal score value: -5.4803
• Maximal score value: 2.3684
• Average score: -1.1489
• Total score value: -346.9576

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	-0.4553
2	F	A	1.0346
3	T	A	0.5559
4	L	A	0.2037
5	P	A	-0.2002
6	P	A	-1.0540
7	N	A	-2.2241
8	F	A	0.0000
9	G	A	-1.3522
10	K	A	-2.2899
11	R	A	-1.4784
12	P	A	-0.6872
13	T	A	-0.6643
14	D	A	0.0000
15	L	A	0.7891
16	K	A	-0.4364
17	L	A	0.0000
18	S	A	0.8900
19	V	A	1.4788
20	K	A	-0.1603
21	L	A	0.0000
22	V	A	0.2541
23	E	A	-0.6062
24	M	A	0.0000
25	L	A	0.0000
26	R	A	-1.3622
27	D	A	0.0000
28	I	A	-0.5908
29	M	A	0.0000
30	L	A	-0.8493
31	R	A	-1.1503
32	S	A	0.0000
33	G	A	0.0000
34	C	A	0.0000
35	T	A	-0.3733
36	L	A	0.0000
37	E	A	-2.1724
38	E	A	-2.9803
39	S	A	-2.6631
40	K	A	-2.7428
41	I	A	-2.4984
42	K	A	-3.6946
43	E	A	-3.7035
44	V	A	0.0000
45	L	A	-1.7038
46	E	A	-3.0116
47	K	A	-2.6826
48	P	A	-1.6077
49	K	A	-1.5900
50	Y	A	-1.0323
51	I	A	-0.8901
52	D	A	-1.9581
53	L	A	0.0000
54	A	A	0.0000
55	L	A	-0.6202
56	K	A	-1.4020
57	A	A	0.0000
58	Q	A	0.0000
59	F	A	-0.8809
60	E	A	-2.1989
61	V	A	0.0000
62	M	A	0.0000
63	P	A	0.0000
64	E	A	-2.5914
65	T	A	0.0000
66	A	A	0.0000
67	L	A	-1.3057
68	E	A	-2.3570
69	L	A	0.0000
70	A	A	0.0000
71	K	A	-1.9303
72	V	A	0.1057
73	F	A	-1.1260
74	R	A	-2.4856
75	L	A	-1.8493
76	K	A	-2.5381
77	N	A	-1.9133
78	I	A	-0.4146
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	0.1955
94	L	A	0.7967
95	S	A	0.0000
96	N	A	0.0000
97	V	A	1.9250
98	L	A	0.0000
99	S	A	0.0000
100	L	A	0.5011
101	K	A	-1.0806
102	M	A	0.0000
103	K	A	-2.0209
104	G	A	0.0000
105	D	A	-1.3841
106	P	A	-0.2702
107	N	A	-1.1544
108	L	A	0.0000
109	S	A	0.0000
110	W	A	-0.2237
111	V	A	0.0000
112	M	A	0.0000
113	T	A	0.0000
114	T	A	-0.2877
115	C	A	-0.3658
116	S	A	0.0000
117	T	A	-1.2061
118	E	A	-2.2824
119	C	A	-1.3253
120	A	A	0.0000
121	R	A	-2.4908
122	K	A	-2.8053
123	N	A	-2.0990
124	M	A	0.0000
125	A	A	0.0000
126	D	A	-2.5897
127	L	A	0.0000
128	L	A	0.0000
129	E	A	-2.6362
130	K	A	-2.6078
131	Y	A	0.0000
132	S	A	0.0000
133	R	A	-3.0125
134	G	A	-1.8626
135	I	A	-1.4089
136	Y	A	-1.9402
137	D	A	-2.6651
138	G	A	-2.6357
139	D	A	-3.5287
140	L	A	0.0000
141	K	A	-3.4983
142	D	A	-3.0859
143	K	A	-2.1123
144	V	A	0.0000
145	P	A	-1.1130
146	Y	A	-0.8075
147	K	A	-1.3471
148	G	A	-0.3256
149	I	A	0.0000
150	K	A	-1.4628
151	I	A	-0.2829
152	S	A	0.0000
153	L	A	0.0000
154	E	A	-2.3817
155	L	A	-1.4631
156	V	A	0.0000
157	K	A	-2.7107
158	K	A	-3.0170
159	P	A	-2.0980
160	C	A	-1.4822
161	T	A	-1.5676
162	E	A	-2.4915
163	G	A	0.0000
164	I	A	-1.2122
165	E	A	-2.2856
166	L	A	-2.0231
167	K	A	-2.1071
168	S	A	-2.4558
169	K	A	-3.0358
170	R	A	-3.0828
171	P	A	-2.5716
172	Q	A	-2.3854
173	L	A	-1.6042
174	L	A	0.0000
175	R	A	-3.3604
176	K	A	-3.4656
177	E	A	-3.0464
178	L	A	-3.1938
179	K	A	-4.6690
180	K	A	-4.7544
181	L	A	0.0000
182	E	A	-4.5434
183	E	A	-5.1379
184	R	A	-4.5973
185	V	A	-3.8110
186	E	A	-4.6668
187	K	A	-4.4925
188	L	A	0.0000
189	S	A	-2.9871
190	E	A	-3.7166
191	E	A	-3.6973
192	V	A	0.0000
193	T	A	-2.6956
194	R	A	-3.7766
195	L	A	-2.9152
196	S	A	-2.3563
197	E	A	-3.7444
198	E	A	-3.4213
199	N	A	0.0000
200	V	A	0.0000
201	G	A	-2.2669
202	K	A	-1.5191
203	S	A	0.3029
204	I	A	0.6419
205	M	A	1.6094
206	F	A	2.3684
207	A	A	1.2633
208	M	A	0.0000
209	T	A	-0.2396
210	P	A	-1.2853
211	K	A	-2.0578
212	I	A	0.0000
213	E	A	-2.4662
214	E	A	-2.3972
215	T	A	0.0000
216	S	A	0.0000
217	S	A	-1.4536
218	L	A	-0.4682
219	M	A	0.0000
220	P	A	0.0000
221	R	A	-1.4227
222	L	A	-0.5183
223	G	A	0.0000
224	F	A	0.0000
225	E	A	-1.7626
226	K	A	-1.7127
227	G	A	0.0000
228	L	A	-1.8057
229	K	A	-2.9315
230	I	A	-2.1228
231	S	A	0.0000
232	E	A	-3.0226
233	E	A	-2.8600
234	E	A	-2.0579
235	C	A	-1.2106
236	L	A	0.0000
237	N	A	-2.3113
238	G	A	-2.3601
239	R	A	-2.9110
240	C	A	0.0000
241	R	A	-2.1659
242	R	A	-1.5727
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	-0.1925
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	0.5247
262	V	A	1.3093
263	A	A	0.1803
264	F	A	0.0000
265	P	A	-0.2148
266	P	A	-0.9079
267	E	A	-1.4435
268	V	A	0.5436
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	-0.0106
278	L	A	-0.6810
279	Y	A	0.0000
280	M	A	-0.6361
281	R	A	-1.8583
282	N	A	-1.7957
283	Q	A	0.0000
284	L	A	-1.2600
285	K	A	-2.6156
286	E	A	0.0000
287	G	A	0.0000
288	E	A	-3.3419
289	E	A	-3.5114
290	R	A	-3.1404
291	V	A	0.0000
292	E	A	-4.7184
293	K	A	-4.7112
294	L	A	-3.9021
295	K	A	-4.5168
296	E	A	-5.4803
297	E	A	-4.8577
298	E	A	-4.1472
299	K	A	-4.3296
300	K	A	-4.1267
301	K	A	-3.0709
302	L	A	-0.6363