Project name: ECD_33_1st

Chain sequence(s)	A: NFTLPPNFGKRPTDLELSVKLVEMLKNIMLLLGCTLEESKIKEVLEKPKYIDLALEAQFGIMPKTALELAKVFRLKNIEALAILVCGCSPPGNLSNLFSLKLKGDLNLSLVMTTCSTRCARERMADLLEKYSRGIYDGDLKDKVPYKGIEISLELVLKPCTEGIELKSKRPQLLREVKKKLEEEVEKLSKEVTELSEENVGKSIMFAMTPKIRETSSLMPRLGYEEGLKISTEACLNGRCRRTVSVETGCRNVQLCSTILNVAFPPEVIGPLFFFPLLYMREQQKEGEELVEKYKEEEKKKE
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                                          (00:06:45)
[INFO]       Main:     Simulation completed successfully.                                          (00:06:46)

• Minimal score value: -5.6908
• Maximal score value: 1.7258
• Average score: -1.2617
• Total score value: -381.0445

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	-0.6918
2	F	A	0.5154
3	T	A	0.2213
4	L	A	0.1761
5	P	A	-0.4230
6	P	A	-0.9965
7	N	A	-2.1233
8	F	A	-1.4338
9	G	A	-1.5307
10	K	A	-2.2758
11	R	A	-1.4630
12	P	A	-0.6881
13	T	A	-0.7213
14	D	A	-0.7151
15	L	A	0.4655
16	E	A	-0.5574
17	L	A	0.0000
18	S	A	0.3865
19	V	A	0.6277
20	K	A	-0.4435
21	L	A	0.0000
22	V	A	-0.2022
23	E	A	-1.3096
24	M	A	0.0000
25	L	A	0.0000
26	K	A	-1.4237
27	N	A	-1.2975
28	I	A	-0.7265
29	M	A	0.0000
30	L	A	-0.4958
31	L	A	-0.5935
32	L	A	0.0000
33	G	A	0.0000
34	C	A	0.0000
35	T	A	-0.2643
36	L	A	0.0000
37	E	A	-2.4963
38	E	A	-3.2579
39	S	A	-2.6185
40	K	A	-2.7747
41	I	A	-2.4393
42	K	A	-3.4964
43	E	A	-3.6568
44	V	A	0.0000
45	L	A	-1.7360
46	E	A	-3.1642
47	K	A	-3.1808
48	P	A	-2.2652
49	K	A	-2.7631
50	Y	A	-1.7011
51	I	A	-1.5199
52	D	A	-2.7461
53	L	A	0.0000
54	A	A	0.0000
55	L	A	-0.9893
56	E	A	-2.0988
57	A	A	0.0000
58	Q	A	0.0000
59	F	A	0.0000
60	G	A	-1.1171
61	I	A	0.0000
62	M	A	0.0000
63	P	A	0.0000
64	K	A	-1.5718
65	T	A	-1.1932
66	A	A	0.0000
67	L	A	-1.0975
68	E	A	-2.0664
69	L	A	0.0000
70	A	A	0.0000
71	K	A	-1.7867
72	V	A	0.1495
73	F	A	-1.1895
74	R	A	-2.4295
75	L	A	-1.8511
76	K	A	-2.5115
77	N	A	-1.7835
78	I	A	-0.3857
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	P	A	0.0000
92	G	A	0.0000
93	N	A	-0.4161
94	L	A	0.1776
95	S	A	0.0000
96	N	A	0.0000
97	L	A	1.1974
98	F	A	0.0000
99	S	A	0.0000
100	L	A	0.6481
101	K	A	-0.5385
102	L	A	0.0000
103	K	A	-2.0569
104	G	A	0.0000
105	D	A	-1.3086
106	L	A	-0.0629
107	N	A	-0.6687
108	L	A	0.0000
109	S	A	0.0000
110	L	A	-0.2256
111	V	A	0.0000
112	M	A	0.0000
113	T	A	0.0000
114	T	A	-0.2156
115	C	A	0.0597
116	S	A	0.0000
117	T	A	0.0000
118	R	A	-2.0375
119	C	A	-1.6688
120	A	A	0.0000
121	R	A	-3.5915
122	E	A	-3.7063
123	R	A	-3.2094
124	M	A	0.0000
125	A	A	0.0000
126	D	A	-2.8593
127	L	A	0.0000
128	L	A	0.0000
129	E	A	-2.6069
130	K	A	-2.1371
131	Y	A	-1.4947
132	S	A	0.0000
133	R	A	-2.9696
134	G	A	-2.0255
135	I	A	-1.6773
136	Y	A	-1.9895
137	D	A	-2.7120
138	G	A	-2.6107
139	D	A	-3.6645
140	L	A	0.0000
141	K	A	-3.4104
142	D	A	-3.3128
143	K	A	-2.5026
144	V	A	0.0000
145	P	A	-1.2612
146	Y	A	-1.2334
147	K	A	-1.4444
148	G	A	-0.6787
149	I	A	0.0000
150	E	A	-1.9518
151	I	A	-0.5911
152	S	A	0.0000
153	L	A	0.0000
154	E	A	-2.4411
155	L	A	-1.2550
156	V	A	0.0000
157	L	A	0.0000
158	K	A	-2.6876
159	P	A	-1.9345
160	C	A	0.0000
161	T	A	-1.7194
162	E	A	-2.7082
163	G	A	0.0000
164	I	A	-1.7901
165	E	A	-3.0839
166	L	A	-2.2818
167	K	A	-2.6797
168	S	A	-2.8456
169	K	A	-3.1335
170	R	A	-2.9661
171	P	A	-2.3170
172	Q	A	-2.2474
173	L	A	-1.5235
174	L	A	0.0000
175	R	A	-3.5354
176	E	A	-3.6136
177	V	A	-2.6824
178	K	A	-3.5768
179	K	A	-4.9936
180	K	A	-4.9964
181	L	A	-3.9761
182	E	A	-4.9353
183	E	A	-5.4691
184	E	A	-5.1396
185	V	A	-4.0819
186	E	A	-4.8070
187	K	A	-4.5367
188	L	A	-3.4358
189	S	A	-2.9502
190	K	A	-3.7423
191	E	A	-3.2856
192	V	A	0.0000
193	T	A	-2.2409
194	E	A	-3.3759
195	L	A	-2.5293
196	S	A	-2.1065
197	E	A	-3.1028
198	E	A	-3.0669
199	N	A	0.0000
200	V	A	0.0000
201	G	A	-2.0561
202	K	A	-2.0511
203	S	A	-0.2533
204	I	A	0.4191
205	M	A	0.9110
206	F	A	1.7258
207	A	A	1.0883
208	M	A	0.0000
209	T	A	-0.3496
210	P	A	-1.1250
211	K	A	-1.9688
212	I	A	0.0000
213	R	A	-1.6691
214	E	A	-2.4407
215	T	A	0.0000
216	S	A	0.0000
217	S	A	-1.5677
218	L	A	-0.6980
219	M	A	0.0000
220	P	A	0.0000
221	R	A	-2.0807
222	L	A	-0.9228
223	G	A	0.0000
224	Y	A	0.0000
225	E	A	-2.5540
226	E	A	-2.2196
227	G	A	0.0000
228	L	A	-1.6010
229	K	A	-2.6340
230	I	A	-1.7463
231	S	A	0.0000
232	T	A	-1.4969
233	E	A	-1.9122
234	A	A	-1.0762
235	C	A	-0.3402
236	L	A	-1.0537
237	N	A	-1.9203
238	G	A	-2.0518
239	R	A	-2.9321
240	C	A	0.0000
241	R	A	-1.8830
242	R	A	-1.4299
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	-0.3120
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	0.1679
262	V	A	0.4761
263	A	A	-0.1185
264	F	A	0.0000
265	P	A	-0.3020
266	P	A	-1.0055
267	E	A	-1.4942
268	V	A	0.6882
269	I	A	0.0000
270	G	A	-0.1350
271	P	A	0.2811
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	0.1368
278	L	A	0.0000
279	Y	A	0.0000
280	M	A	-0.8340
281	R	A	-2.1014
282	E	A	0.0000
283	Q	A	0.0000
284	Q	A	-2.3860
285	K	A	-3.4119
286	E	A	-2.9915
287	G	A	0.0000
288	E	A	-2.9968
289	E	A	-3.7526
290	L	A	-2.6373
291	V	A	0.0000
292	E	A	-4.3650
293	K	A	-4.2453
294	Y	A	-3.8960
295	K	A	-4.9956
296	E	A	-5.5994
297	E	A	-5.6908
298	E	A	-5.3348
299	K	A	-5.5758
300	K	A	-5.3890
301	K	A	-4.8897
302	E	A	-4.1707