Project name: Scar-test

Chain sequence(s)	A: DTICIGYHANNSTDTVDTVLEKNVTVTHSVNLLENGGGGKYVCSNKLVLATGLRNKPLKETQGLFGAIAGFTEGGWQGMVDGWYGYHHSNEQGSGYAADKESTQKAMDGVTNKVNSIIDKMNTQYEAIGCEYNNSERCMKQIEDKIEEIESKVWTYNAELLVLMENERTLDFHDSNVKNLYDKVRLQLRDNAKELGNGCFEFYHKCDNECMESVRNGTYDYPQYSEEARLKREEISGVKLESVGTYQRRKR
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                                          (00:07:48)
[INFO]       Main:     Simulation completed successfully.                                          (00:07:50)

• Minimal score value: -4.2203
• Maximal score value: 2.4922
• Average score: -1.1291
• Total score value: -283.4084

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	D	A	-2.5300
2	T	A	-1.4726
3	I	A	0.0000
4	C	A	-0.2143
5	I	A	0.0000
6	G	A	0.0000
7	Y	A	-0.3334
8	H	A	0.0000
9	A	A	0.0000
10	N	A	-1.3466
11	N	A	-1.9456
12	S	A	-1.2790
13	T	A	-1.2687
14	D	A	-1.7429
15	T	A	-1.6448
16	V	A	0.0000
17	D	A	-1.5246
18	T	A	0.0000
19	V	A	0.9616
20	L	A	0.9298
21	E	A	-1.5738
22	K	A	-2.5668
23	N	A	-2.7007
24	V	A	0.0000
25	T	A	-1.8079
26	V	A	0.0000
27	T	A	0.0000
28	H	A	-0.7920
29	S	A	-0.4242
30	V	A	-0.4762
31	N	A	-1.1481
32	L	A	0.0000
33	L	A	-1.7095
34	E	A	-2.5659
35	N	A	-2.3370
36	G	A	-1.7674
37	G	A	0.0000
38	G	A	-1.6464
39	G	A	-1.2537
40	K	A	-1.6475
41	Y	A	-1.0103
42	V	A	-0.3069
43	C	A	-0.0875
44	S	A	-0.6786
45	N	A	-1.5988
46	K	A	-1.7690
47	L	A	0.0000
48	V	A	-0.7345
49	L	A	0.0000
50	A	A	0.0000
51	T	A	-0.1697
52	G	A	0.0000
53	L	A	0.0000
54	R	A	-1.8723
55	N	A	-1.8013
56	K	A	-2.1666
57	P	A	-1.8012
58	L	A	-1.6323
59	K	A	-3.0115
60	E	A	-3.0391
61	T	A	-2.2891
62	Q	A	-1.8808
63	G	A	-0.5085
64	L	A	1.6804
65	F	A	2.3619
66	G	A	0.8810
67	A	A	1.8316
68	I	A	2.4922
69	A	A	0.7427
70	G	A	-0.1513
71	F	A	0.2091
72	T	A	-0.8356
73	E	A	-2.2781
74	G	A	0.0000
75	G	A	0.0000
76	W	A	0.0000
77	Q	A	-1.3585
78	G	A	-0.6733
79	M	A	0.0000
80	V	A	0.6053
81	D	A	-1.0903
82	G	A	0.0000
83	W	A	0.0000
84	Y	A	0.0000
85	G	A	0.0000
86	Y	A	0.0000
87	H	A	-0.0602
88	H	A	-0.8131
89	S	A	-1.7060
90	N	A	-2.8118
91	E	A	-3.3948
92	Q	A	-2.9407
93	G	A	-2.1509
94	S	A	-1.2517
95	G	A	-0.1748
96	Y	A	0.4553
97	A	A	-0.2962
98	A	A	0.0000
99	D	A	0.0000
100	K	A	-2.9513
101	E	A	-3.2106
102	S	A	-2.3495
103	T	A	0.0000
104	Q	A	-3.2393
105	K	A	-3.3625
106	A	A	0.0000
107	M	A	-1.7692
108	D	A	-2.5944
109	G	A	-1.9943
110	V	A	0.0000
111	T	A	-1.6911
112	N	A	-2.2605
113	K	A	-1.6794
114	V	A	-1.3247
115	N	A	-2.3153
116	S	A	-2.0486
117	I	A	0.0000
118	I	A	-1.8137
119	D	A	-3.0348
120	K	A	-2.8964
121	M	A	-2.0213
122	N	A	-2.2954
123	T	A	-2.0438
124	Q	A	-1.8143
125	Y	A	-1.5009
126	E	A	-1.9213
127	A	A	-1.0209
128	I	A	-0.6215
129	G	A	-0.9438
130	C	A	-0.4054
131	E	A	-1.2685
132	Y	A	-0.5150
133	N	A	-1.6143
134	N	A	-2.4637
135	S	A	-2.0962
136	E	A	-3.0388
137	R	A	-2.9047
138	C	A	-1.1994
139	M	A	-1.6078
140	K	A	-2.7692
141	Q	A	-2.5706
142	I	A	-1.1277
143	E	A	-2.2844
144	D	A	-3.5653
145	K	A	-2.9713
146	I	A	-1.3432
147	E	A	-2.6452
148	E	A	-2.9051
149	I	A	-0.9209
150	E	A	-1.0084
151	S	A	-1.1711
152	K	A	-0.8900
153	V	A	0.4579
154	W	A	0.3578
155	T	A	0.4302
156	Y	A	1.0085
157	N	A	0.2057
158	A	A	0.0000
159	E	A	0.0746
160	L	A	0.9347
161	L	A	0.7725
162	V	A	0.0000
163	L	A	0.2297
164	M	A	0.4421
165	E	A	-0.7769
166	N	A	0.0000
167	E	A	-1.6931
168	R	A	-2.5519
169	T	A	0.0000
170	L	A	-1.8743
171	D	A	-2.7720
172	F	A	-1.2151
173	H	A	0.0000
174	D	A	-1.9846
175	S	A	-1.4850
176	N	A	-1.6001
177	V	A	0.0000
178	K	A	-2.2764
179	N	A	-2.8241
180	L	A	0.0000
181	Y	A	0.0000
182	D	A	-2.4104
183	K	A	-1.7479
184	V	A	0.0000
185	R	A	-2.3323
186	L	A	-0.3881
187	Q	A	-1.1204
188	L	A	0.0000
189	R	A	-2.5258
190	D	A	-2.3648
191	N	A	0.0000
192	A	A	0.0000
193	K	A	-3.1631
194	E	A	-2.4885
195	L	A	-0.9756
196	G	A	-0.9759
197	N	A	-0.9300
198	G	A	0.0000
199	C	A	-0.8485
200	F	A	0.0000
201	E	A	-2.3071
202	F	A	0.0000
203	Y	A	-1.6939
204	H	A	0.0000
205	K	A	-2.5843
206	C	A	0.0000
207	D	A	-3.6959
208	N	A	-3.7134
209	E	A	-3.4202
210	C	A	0.0000
211	M	A	0.0000
212	E	A	-3.4490
213	S	A	-2.6286
214	V	A	0.0000
215	R	A	-1.9419
216	N	A	-2.0207
217	G	A	-1.5193
218	T	A	-1.3994
219	Y	A	0.0000
220	D	A	-2.1861
221	Y	A	-1.7290
222	P	A	-1.6238
223	Q	A	-2.1806
224	Y	A	-1.9498
225	S	A	-2.1001
226	E	A	-2.5680
227	E	A	-2.6963
228	A	A	0.0000
229	R	A	-2.1090
230	L	A	-0.9883
231	K	A	-1.6786
232	R	A	-1.3118
233	E	A	-0.5952
234	E	A	-1.2253
235	I	A	0.6980
236	S	A	0.0374
237	G	A	-0.1925
238	V	A	0.6256
239	K	A	-0.9579
240	L	A	0.2293
241	E	A	-1.0240
242	S	A	-0.2000
243	V	A	1.3447
244	G	A	0.1996
245	T	A	0.1680
246	Y	A	0.0516
247	Q	A	-2.2919
248	R	A	-3.6700
249	R	A	-4.2203
250	K	A	-4.1701
251	R	A	-3.3902