Project name: ECD_409_1st

Chain sequence(s)	A: NFTLPPNFGKRPTDLELSVKLVEMLEAIMYATGCTLEESKIKEVLEKPKIIDLALEAQFTLMPKTALELAKVFRLKNIEALAILVCGCSPPGNLSNLFSLKVKGDLNASLVMTTCSTICARERMPELLEKYSRGIYDGDLKDKVPYKGIDISLKLVLKPCTEGIKLKSKRPQLLRKELKELEEKIKKLTEEVTKLSKENVGKSIMFAMTPKILKTSSLMPKRGYKLGLELSEKACLNGRCRRTVSLETGCRNVQLCSTILNVAFPPEVIGPLFFFPLLYMEQQLKEGEEIVKKIKEEEKKKE
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                                          (00:07:35)
[INFO]       Main:     Simulation completed successfully.                                          (00:07:36)

• Minimal score value: -5.3521
• Maximal score value: 1.8388
• Average score: -1.2228
• Total score value: -369.2772

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	-0.7271
2	F	A	0.4828
3	T	A	-0.0496
4	L	A	-0.0872
5	P	A	-0.1849
6	P	A	-1.0028
7	N	A	-1.9377
8	F	A	-1.0086
9	G	A	-1.2428
10	K	A	-2.1102
11	R	A	-1.5366
12	P	A	-0.9008
13	T	A	-0.7645
14	D	A	-0.7115
15	L	A	0.4043
16	E	A	-0.3802
17	L	A	-0.4234
18	S	A	0.4931
19	V	A	1.1454
20	K	A	-0.3386
21	L	A	0.1761
22	V	A	0.2970
23	E	A	-0.9426
24	M	A	-0.9226
25	L	A	-0.1459
26	E	A	-1.3664
27	A	A	0.0000
28	I	A	0.0000
29	M	A	0.0000
30	Y	A	-0.6636
31	A	A	-0.8170
32	T	A	0.0000
33	G	A	0.0000
34	C	A	0.0000
35	T	A	-0.1509
36	L	A	0.0000
37	E	A	-2.8545
38	E	A	-3.5682
39	S	A	-2.9785
40	K	A	-3.7526
41	I	A	-2.8149
42	K	A	-3.7919
43	E	A	-4.0196
44	V	A	-2.4472
45	L	A	-1.6202
46	E	A	-3.1198
47	K	A	-2.7374
48	P	A	-1.8413
49	K	A	-2.0013
50	I	A	0.0000
51	I	A	-1.2456
52	D	A	-2.4166
53	L	A	0.0000
54	A	A	0.0000
55	L	A	-1.0135
56	E	A	-1.4753
57	A	A	0.0000
58	Q	A	0.0000
59	F	A	0.0000
60	T	A	-0.5777
61	L	A	-0.3971
62	M	A	0.0000
63	P	A	0.0000
64	K	A	-1.4298
65	T	A	0.0000
66	A	A	0.0000
67	L	A	-1.1883
68	E	A	-2.2174
69	L	A	0.0000
70	A	A	0.0000
71	K	A	-2.1628
72	V	A	-0.0015
73	F	A	-1.1663
74	R	A	-2.5818
75	L	A	-1.9891
76	K	A	-2.6828
77	N	A	-1.9742
78	I	A	-0.4343
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	-0.0053
94	L	A	0.3291
95	S	A	0.0000
96	N	A	0.0000
97	L	A	0.2404
98	F	A	0.0000
99	S	A	0.0000
100	L	A	-0.5827
101	K	A	-1.7408
102	V	A	0.0000
103	K	A	-2.5658
104	G	A	0.0000
105	D	A	-1.6144
106	L	A	0.0000
107	N	A	-1.2269
108	A	A	0.0000
109	S	A	0.0000
110	L	A	0.0000
111	V	A	0.0000
112	M	A	0.0000
113	T	A	0.0000
114	T	A	0.3960
115	C	A	0.4667
116	S	A	0.0000
117	T	A	0.0000
118	I	A	-0.0155
119	C	A	-0.4818
120	A	A	0.0000
121	R	A	-2.2645
122	E	A	-2.9804
123	R	A	-2.5504
124	M	A	0.0000
125	P	A	0.0000
126	E	A	-3.4204
127	L	A	0.0000
128	L	A	0.0000
129	E	A	-3.7168
130	K	A	-2.5428
131	Y	A	-1.5083
132	S	A	0.0000
133	R	A	-2.9124
134	G	A	-1.6298
135	I	A	-1.1599
136	Y	A	-1.6333
137	D	A	-2.4573
138	G	A	-2.5363
139	D	A	-3.6492
140	L	A	0.0000
141	K	A	-3.8642
142	D	A	-3.0849
143	K	A	-2.0153
144	V	A	0.0000
145	P	A	-0.8289
146	Y	A	-0.8423
147	K	A	-1.7181
148	G	A	-1.0482
149	I	A	0.0000
150	D	A	-1.9625
151	I	A	-0.5765
152	S	A	-0.5319
153	L	A	-0.8803
154	K	A	-1.6321
155	L	A	-0.9367
156	V	A	0.0000
157	L	A	-0.8984
158	K	A	-2.3563
159	P	A	0.0000
160	C	A	0.0000
161	T	A	-1.8847
162	E	A	-2.6077
163	G	A	0.0000
164	I	A	0.0000
165	K	A	-3.0894
166	L	A	-2.4414
167	K	A	-2.4327
168	S	A	-2.8203
169	K	A	-3.2516
170	R	A	-3.2844
171	P	A	-2.5091
172	Q	A	-2.5205
173	L	A	-1.8221
174	L	A	-2.3373
175	R	A	-3.3892
176	K	A	-3.6568
177	E	A	-2.9468
178	L	A	-3.1199
179	K	A	-4.7926
180	E	A	-4.9474
181	L	A	0.0000
182	E	A	-4.7631
183	E	A	-5.1014
184	K	A	-4.2519
185	I	A	-3.7504
186	K	A	-4.5488
187	K	A	-4.3182
188	L	A	-3.0876
189	T	A	-2.7930
190	E	A	-3.6653
191	E	A	-3.3199
192	V	A	0.0000
193	T	A	-2.6377
194	K	A	-3.5290
195	L	A	0.0000
196	S	A	-2.2790
197	K	A	-3.5957
198	E	A	-3.3558
199	N	A	0.0000
200	V	A	-1.3353
201	G	A	-2.2165
202	K	A	-1.9104
203	S	A	-0.1879
204	I	A	0.0000
205	M	A	0.8313
206	F	A	1.8388
207	A	A	0.8522
208	M	A	0.0000
209	T	A	-0.0742
210	P	A	-0.5685
211	K	A	-1.2335
212	I	A	0.0000
213	L	A	-0.3435
214	K	A	-1.5145
215	T	A	0.0000
216	S	A	0.0000
217	S	A	-1.0408
218	L	A	-0.5371
219	M	A	0.0000
220	P	A	0.0000
221	K	A	-1.7684
222	R	A	-1.4200
223	G	A	0.0000
224	Y	A	0.0000
225	K	A	-2.2624
226	L	A	-1.3362
227	G	A	0.0000
228	L	A	-1.7028
229	E	A	-2.5161
230	L	A	-1.6994
231	S	A	0.0000
232	E	A	-2.6102
233	K	A	-2.3927
234	A	A	-1.4249
235	C	A	-0.8616
236	L	A	0.0000
237	N	A	-2.3090
238	G	A	-2.4974
239	R	A	-3.2291
240	C	A	0.0000
241	R	A	-2.0579
242	R	A	-1.6382
243	T	A	0.0000
244	V	A	0.0000
245	S	A	0.0000
246	L	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	-0.7951
255	L	A	0.0000
256	C	A	0.0000
257	S	A	-0.4640
258	T	A	-0.5663
259	I	A	0.0000
260	L	A	0.0000
261	N	A	-1.0129
262	V	A	-0.2332
263	A	A	0.0000
264	F	A	0.0000
265	P	A	-0.4731
266	P	A	-0.8214
267	E	A	-1.1582
268	V	A	0.5457
269	I	A	0.0000
270	G	A	0.0514
271	P	A	0.4410
272	L	A	0.0000
273	F	A	0.1715
274	F	A	0.0000
275	F	A	0.0000
276	P	A	0.0000
277	L	A	-0.0089
278	L	A	0.0000
279	Y	A	0.0000
280	M	A	-0.5630
281	E	A	-1.4850
282	Q	A	-1.5086
283	Q	A	0.0000
284	L	A	-1.6346
285	K	A	-3.1528
286	E	A	-2.8275
287	G	A	0.0000
288	E	A	-3.8336
289	E	A	-3.9263
290	I	A	-2.8595
291	V	A	0.0000
292	K	A	-4.6317
293	K	A	-4.3504
294	I	A	-3.9640
295	K	A	-4.7574
296	E	A	-5.3521
297	E	A	-5.1955
298	E	A	-4.9237
299	K	A	-5.2641
300	K	A	-5.1286
301	K	A	-4.6848
302	E	A	-4.0359