Project name: ECD_197_1st

Chain sequence(s)	A: NFTLPPNFGKRPTDLELSVKLVEMLKNIMLRTGCTLEESKIKEVLNKPKYIDLALEAQFTTMPRTALELAKVFRLKNIEALAILVCGCSPTGNLSNLFSLKLKGDLNLSWVMTTCSTICANERMADLLEKYSRGIYDGDLKDKVPYKGIKISLELVTKPCTEGMEIKSKRPQLLRKLMKELEEKVEKLTKEVTELSKENVGKSIMFAMTPKILKTSSLMPKLGFEKGYKISKEACLNGRCRRTVSIETGCRNVQLCSTILNVAFPPEVIGPLFFFPLLYMEQQLKEGEEIVKKAKEEEKAKE
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                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:08:05)
[INFO]       Main:     Simulation completed successfully.                                          (00:08:07)

• Minimal score value: -5.7509
• Maximal score value: 2.4005
• Average score: -1.128
• Total score value: -340.6613

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	-0.7343
2	F	A	0.8507
3	T	A	0.4477
4	L	A	0.0629
5	P	A	-0.4783
6	P	A	-1.0866
7	N	A	-2.2702
8	F	A	0.0000
9	G	A	-1.6156
10	K	A	-2.3574
11	R	A	-1.5807
12	P	A	-0.8899
13	T	A	-0.7412
14	D	A	-0.7705
15	L	A	0.6465
16	E	A	-0.5420
17	L	A	0.0000
18	S	A	0.7578
19	V	A	1.2996
20	K	A	-0.4532
21	L	A	0.0000
22	V	A	0.0511
23	E	A	-0.7894
24	M	A	0.0000
25	L	A	0.0000
26	K	A	-1.3846
27	N	A	-1.1304
28	I	A	-0.6085
29	M	A	0.0000
30	L	A	-0.7511
31	R	A	-1.0257
32	T	A	0.0000
33	G	A	0.0000
34	C	A	0.0000
35	T	A	-0.3149
36	L	A	0.0000
37	E	A	-1.8643
38	E	A	-2.2940
39	S	A	-2.0091
40	K	A	-2.2222
41	I	A	-1.9467
42	K	A	-3.0996
43	E	A	-3.2889
44	V	A	-1.9181
45	L	A	-1.2155
46	N	A	-2.3165
47	K	A	-2.2916
48	P	A	-1.5366
49	K	A	-1.7021
50	Y	A	-0.9528
51	I	A	-0.8716
52	D	A	-2.0461
53	L	A	0.0000
54	A	A	0.0000
55	L	A	-0.4331
56	E	A	-0.7920
57	A	A	0.0000
58	Q	A	0.0000
59	F	A	0.0000
60	T	A	-0.6713
61	T	A	0.0000
62	M	A	0.0000
63	P	A	0.0000
64	R	A	-2.2401
65	T	A	0.0000
66	A	A	0.0000
67	L	A	-1.3989
68	E	A	-2.4035
69	L	A	0.0000
70	A	A	0.0000
71	K	A	-1.9474
72	V	A	0.1242
73	F	A	-1.1353
74	R	A	-2.3884
75	L	A	-1.7354
76	K	A	-2.3505
77	N	A	-1.6716
78	I	A	-0.1335
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	-0.2636
94	L	A	0.2615
95	S	A	0.0000
96	N	A	0.4023
97	L	A	1.0137
98	F	A	0.0000
99	S	A	0.0000
100	L	A	0.6737
101	K	A	-1.0205
102	L	A	0.0000
103	K	A	-2.1007
104	G	A	0.0000
105	D	A	-1.5291
106	L	A	-0.2661
107	N	A	-1.0416
108	L	A	0.0000
109	S	A	0.0000
110	W	A	-0.2016
111	V	A	0.0000
112	M	A	0.0000
113	T	A	0.0000
114	T	A	0.0000
115	C	A	0.0000
116	S	A	0.0000
117	T	A	0.5897
118	I	A	1.4331
119	C	A	0.1797
120	A	A	0.0000
121	N	A	-0.9419
122	E	A	-2.4348
123	R	A	-2.4594
124	M	A	0.0000
125	A	A	-1.9312
126	D	A	-2.4697
127	L	A	0.0000
128	L	A	0.0000
129	E	A	-2.6511
130	K	A	-2.0062
131	Y	A	-1.5915
132	S	A	0.0000
133	R	A	-3.0033
134	G	A	-2.0515
135	I	A	-1.6515
136	Y	A	-1.9951
137	D	A	-2.7412
138	G	A	-2.6168
139	D	A	-3.6782
140	L	A	0.0000
141	K	A	-3.4707
142	D	A	-3.3593
143	K	A	-2.4842
144	V	A	0.0000
145	P	A	-1.3959
146	Y	A	-1.3350
147	K	A	-1.5704
148	G	A	-0.5547
149	I	A	0.0000
150	K	A	-1.4557
151	I	A	0.0670
152	S	A	0.0000
153	L	A	0.0000
154	E	A	-0.8934
155	L	A	-0.6376
156	V	A	0.0000
157	T	A	-0.9247
158	K	A	-2.3528
159	P	A	0.0000
160	C	A	-1.4195
161	T	A	-1.8512
162	E	A	-2.8435
163	G	A	0.0000
164	M	A	-2.1254
165	E	A	-3.4175
166	I	A	-2.4295
167	K	A	-2.4923
168	S	A	-2.6869
169	K	A	-3.2894
170	R	A	-3.2020
171	P	A	-2.3775
172	Q	A	-2.2537
173	L	A	-1.3418
174	L	A	-2.0415
175	R	A	-3.1507
176	K	A	-3.3252
177	L	A	-2.3160
178	M	A	-2.8729
179	K	A	-4.5309
180	E	A	-4.5107
181	L	A	0.0000
182	E	A	-4.3549
183	E	A	-4.9705
184	K	A	-4.1716
185	V	A	-3.7395
186	E	A	-4.4255
187	K	A	-4.4510
188	L	A	0.0000
189	T	A	-3.0788
190	K	A	-3.8549
191	E	A	-3.7750
192	V	A	0.0000
193	T	A	-2.7954
194	E	A	-3.7913
195	L	A	-2.9331
196	S	A	0.0000
197	K	A	-3.4738
198	E	A	-3.3966
199	N	A	0.0000
200	V	A	0.0000
201	G	A	-2.2524
202	K	A	-1.6026
203	S	A	0.1974
204	I	A	0.6964
205	M	A	1.5504
206	F	A	2.4005
207	A	A	0.0000
208	M	A	1.1208
209	T	A	0.3535
210	P	A	-0.6224
211	K	A	-1.2624
212	I	A	0.0000
213	L	A	-0.4487
214	K	A	-1.6104
215	T	A	0.0000
216	S	A	0.0000
217	S	A	-0.9784
218	L	A	-0.2875
219	M	A	0.0000
220	P	A	0.0000
221	K	A	-1.2946
222	L	A	-0.5759
223	G	A	0.0000
224	F	A	0.0000
225	E	A	-2.2082
226	K	A	-1.7731
227	G	A	0.0000
228	Y	A	-1.5839
229	K	A	-2.8075
230	I	A	-1.7755
231	S	A	0.0000
232	K	A	-3.0501
233	E	A	-2.6223
234	A	A	-1.4382
235	C	A	-0.9848
236	L	A	0.0000
237	N	A	-2.3830
238	G	A	-2.5321
239	R	A	-3.2704
240	C	A	0.0000
241	R	A	-2.2684
242	R	A	-1.8013
243	T	A	0.0000
244	V	A	0.0000
245	S	A	0.0000
246	I	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	-0.1229
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	0.4578
262	V	A	1.2107
263	A	A	0.0404
264	F	A	0.0000
265	P	A	-0.1156
266	P	A	-0.7220
267	E	A	-1.1435
268	V	A	0.9065
269	I	A	0.0000
270	G	A	0.0000
271	P	A	0.0000
272	L	A	0.7935
273	F	A	0.0000
274	F	A	0.0000
275	F	A	0.0000
276	P	A	0.0000
277	L	A	0.2728
278	L	A	0.0355
279	Y	A	0.0000
280	M	A	-0.5156
281	E	A	-1.8646
282	Q	A	-1.6501
283	Q	A	0.0000
284	L	A	-1.7049
285	K	A	-3.1665
286	E	A	-2.6592
287	G	A	0.0000
288	E	A	-3.5796
289	E	A	-3.5577
290	I	A	-2.4659
291	V	A	-2.9410
292	K	A	-4.1648
293	K	A	-4.6992
294	A	A	-4.2602
295	K	A	-5.0561
296	E	A	-5.6252
297	E	A	-5.7509
298	E	A	-5.6873
299	K	A	-5.3770
300	A	A	-3.9843
301	K	A	-4.3271
302	E	A	-3.8112