Project name: CO_SC

Chain sequence(s)	A: ESVGLHLPTLSVQEGDNSIINCAYSNSASDYFIWYKQESGKGPQFIIDIRSNMDKRQGQRVTVLLNKTVKHLSLQIAATQPGDSAVYFCAESRESYIPTFGRGTSLIVHGGGGSGGGGSGGGGSGVAQSPRYKIIEKRQSVAFWCNPISGHATLYWYQQILGQGPKLLIQFQNNGVVDDSQLPKDRFSAERLKGVDSTLKIQPAKLEDSAVYLCASSQRGQGRRAKNIQYFGAGTRLSVL
Selected Chain(s)	A
Distance of aggregation	5 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:03:49)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:51)

• Minimal score value: -2.2551
• Maximal score value: 1.6585
• Average score: -0.3022
• Total score value: -72.5256

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	E	A	-1.8585
2	S	A	-0.2211
3	V	A	1.6487
4	G	A	0.1362
5	L	A	1.2859
6	H	A	-0.6766
7	L	A	-0.0260
8	P	A	-0.1618
9	T	A	-0.0092
10	L	A	0.3215
11	S	A	0.0274
12	V	A	-0.0555
13	Q	A	-1.5443
14	E	A	-1.8459
15	G	A	-0.8337
16	D	A	-1.0407
17	N	A	-1.4043
18	S	A	0.0000
19	I	A	0.8965
20	I	A	0.0000
21	N	A	-1.2760
22	C	A	0.0000
23	A	A	0.0419
24	Y	A	0.0981
25	S	A	-0.3542
26	N	A	-0.9796
27	S	A	-0.3710
28	A	A	-0.0144
29	S	A	0.0000
30	D	A	-0.2430
31	Y	A	0.0000
32	F	A	0.0000
33	I	A	0.0000
34	W	A	0.0000
35	Y	A	0.0000
36	K	A	-0.2545
37	Q	A	-0.2230
38	E	A	-0.3159
39	S	A	-0.3434
40	G	A	-0.7024
41	K	A	-1.1898
42	G	A	0.0000
43	P	A	0.0000
44	Q	A	-0.4990
45	F	A	0.5726
46	I	A	0.4664
47	I	A	0.0000
48	D	A	0.0000
49	I	A	0.0000
50	R	A	0.0000
51	S	A	-0.2860
52	N	A	-1.2202
53	M	A	-0.2292
54	D	A	-2.0080
55	K	A	-1.9162
56	R	A	-1.0950
57	Q	A	-1.3748
58	G	A	-0.8026
59	Q	A	-1.3498
60	R	A	-0.6457
61	V	A	0.1655
62	T	A	-0.1266
63	V	A	0.0000
64	L	A	0.2435
65	L	A	0.0000
66	N	A	-1.2227
67	K	A	-1.9473
68	T	A	-0.0561
69	V	A	1.6585
70	K	A	-0.5241
71	H	A	-0.4207
72	L	A	0.0000
73	S	A	-0.1851
74	L	A	0.0000
75	Q	A	-0.4203
76	I	A	0.0000
77	A	A	-0.1089
78	A	A	-0.0872
79	T	A	0.0000
80	Q	A	-0.8191
81	P	A	-0.3644
82	G	A	-0.3619
83	D	A	0.0000
84	S	A	0.0196
85	A	A	0.0000
86	V	A	0.2954
87	Y	A	0.0000
88	F	A	0.0000
89	C	A	0.0000
90	A	A	0.0000
91	E	A	-0.2009
92	S	A	0.0000
93	R	A	-2.0100
94	E	A	-1.5055
95	S	A	0.0000
96	Y	A	1.2025
97	I	A	0.5067
98	P	A	0.0000
99	T	A	-0.0347
100	F	A	0.1587
101	G	A	-0.2247
102	R	A	-0.7954
103	G	A	-0.1707
104	T	A	-0.0235
105	S	A	0.0030
106	L	A	0.0000
107	I	A	1.0219
108	V	A	0.0000
109	H	A	-1.0627
110	G	A	-0.7021
111	G	A	-0.6357
112	G	A	-0.6358
113	G	A	-0.5900
114	S	A	-0.3828
115	G	A	-0.5930
116	G	A	-0.6414
117	G	A	-0.6399
118	G	A	-0.5924
119	S	A	-0.3860
120	G	A	-0.5929
121	G	A	-0.6390
122	G	A	-0.6379
123	G	A	-0.5905
124	S	A	-0.3728
125	G	A	-0.4318
126	V	A	0.0978
127	A	A	0.0324
128	Q	A	-0.1692
129	S	A	-0.1830
130	P	A	-0.4395
131	R	A	-1.6167
132	Y	A	0.6005
133	K	A	-0.2972
134	I	A	1.4137
135	I	A	0.0000
136	E	A	-1.8173
137	K	A	-1.6556
138	R	A	-2.1709
139	Q	A	-1.1541
140	S	A	-0.5043
141	V	A	0.0000
142	A	A	-0.0628
143	F	A	0.0000
144	W	A	0.5417
145	C	A	0.0000
146	N	A	-0.4187
147	P	A	0.0000
148	I	A	0.2780
149	S	A	-0.2396
150	G	A	-0.5220
151	H	A	-0.3266
152	A	A	-0.0022
153	T	A	0.0000
154	L	A	0.0000
155	Y	A	0.0000
156	W	A	0.0000
157	Y	A	0.0000
158	Q	A	0.0000
159	Q	A	0.0299
160	I	A	0.8453
161	L	A	1.6394
162	G	A	0.0380
163	Q	A	-1.0044
164	G	A	-0.3034
165	P	A	0.0000
166	K	A	-1.1952
167	L	A	-0.0614
168	L	A	0.0000
169	I	A	0.0000
170	Q	A	0.0000
171	F	A	0.0000
172	Q	A	-0.7035
173	N	A	-1.5971
174	N	A	-1.5485
175	G	A	-0.1831
176	V	A	1.6209
177	V	A	1.2571
178	D	A	-0.3289
179	D	A	-0.6798
180	S	A	-0.5302
181	Q	A	-1.2367
182	L	A	0.0000
183	P	A	-0.4097
184	K	A	-2.0408
185	D	A	-2.1439
186	R	A	-0.7161
187	F	A	0.0000
188	S	A	-0.2004
189	A	A	-0.3639
190	E	A	-1.8182
191	R	A	0.0000
192	L	A	1.2420
193	K	A	-1.4374
194	G	A	-0.5767
195	V	A	0.6160
196	D	A	-0.4930
197	S	A	0.0000
198	T	A	0.0522
199	L	A	0.0000
200	K	A	-0.7519
201	I	A	0.0000
202	Q	A	-1.2679
203	P	A	-0.6490
204	A	A	0.0000
205	K	A	-0.3534
206	L	A	1.1371
207	E	A	-1.3796
208	D	A	0.0000
209	S	A	-0.0576
210	A	A	0.0000
211	V	A	0.1810
212	Y	A	0.0000
213	L	A	0.0000
214	C	A	0.0000
215	A	A	0.0000
216	S	A	0.0000
217	S	A	0.0000
218	Q	A	-1.4142
219	R	A	-1.3811
220	G	A	-0.6881
221	Q	A	-1.3302
222	G	A	-1.0080
223	R	A	-2.2551
224	R	A	-2.1713
225	A	A	-0.5190
226	K	A	-0.8669
227	N	A	0.0000
228	I	A	0.2722
229	Q	A	0.0000
230	Y	A	0.9568
231	F	A	0.3795
232	G	A	0.0000
233	A	A	-0.0839
234	G	A	0.0000
235	T	A	0.0000
236	R	A	-1.5610
237	L	A	0.0000
238	S	A	0.1388
239	V	A	0.0000
240	L	A	1.3316