Project name: 203c573304088d7

Chain sequence(s)	A: AKCVSYGVMENKPRETKTFWGLHNSRTTIAIIDTGVDTDHPDLAANIAFGADYVDTDGNGHGTQVAGTIAGVAPSSALYAVKVLDSTGSGTYSTIINGIEWATTNGMHVANLSLGSPSPSATLEQAVNSATSRGVLVVAASGNSGAGSISYPARYANAMAVGATDQNNNRASFSQYGAGLDIVAPGVNVQSTYTGNRYVSLNGTCMATPHVSGAAALILSKHPTWTNAQVRDRLESTATYLGSSFYYGKGLINVEAAAQ
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                                          (00:00:55)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:56)

• Minimal score value: -3.7059
• Maximal score value: 1.7045
• Average score: -0.5599
• Total score value: -145.0029

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	A	A	-0.7705
2	K	A	-1.4924
3	C	A	-0.0289
4	V	A	0.3945
5	S	A	0.2822
6	Y	A	0.5635
7	G	A	-0.1761
8	V	A	0.1276
9	M	A	-1.4782
10	E	A	-2.9228
11	N	A	-3.1462
12	K	A	-3.7059
13	P	A	-2.9717
14	R	A	-3.6346
15	E	A	-3.4266
16	T	A	-1.8649
17	K	A	-1.6246
18	T	A	-0.0238
19	F	A	1.7045
20	W	A	1.1472
21	G	A	0.2008
22	L	A	-0.2910
23	H	A	-1.8511
24	N	A	-2.2685
25	S	A	-2.0093
26	R	A	-2.4822
27	T	A	0.0000
28	T	A	-0.8157
29	I	A	0.0000
30	A	A	0.0000
31	I	A	0.0000
32	I	A	0.0000
33	D	A	0.0000
34	T	A	0.0000
35	G	A	0.0000
36	V	A	0.0000
37	D	A	-1.4346
38	T	A	-1.1935
39	D	A	-2.4041
40	H	A	0.0000
41	P	A	-1.9230
42	D	A	-1.9161
43	L	A	0.0000
44	A	A	-0.6805
45	A	A	-0.3995
46	N	A	0.0000
47	I	A	0.4753
48	A	A	0.9355
49	F	A	1.6390
50	G	A	0.5861
51	A	A	-0.3459
52	D	A	-1.1061
53	Y	A	0.0860
54	V	A	0.9519
55	D	A	-0.1965
56	T	A	-0.4459
57	D	A	0.0000
58	G	A	-1.0176
59	N	A	-1.0604
60	G	A	0.0000
61	H	A	-0.3411
62	G	A	0.0000
63	T	A	0.0000
64	Q	A	0.0000
65	V	A	0.0000
66	A	A	0.0000
67	G	A	0.0000
68	T	A	0.0000
69	I	A	0.0000
70	A	A	0.0000
71	G	A	-0.0571
72	V	A	0.3084
73	A	A	0.0000
74	P	A	-0.4460
75	S	A	-0.6093
76	S	A	0.0000
77	A	A	0.0000
78	L	A	0.0000
79	Y	A	0.5646
80	A	A	0.0000
81	V	A	0.0000
82	K	A	-0.6182
83	V	A	0.0000
84	L	A	0.0000
85	D	A	-1.6442
86	S	A	-1.2773
87	T	A	-0.9319
88	G	A	-1.0300
89	S	A	-0.9050
90	G	A	-0.8198
91	T	A	-0.3671
92	Y	A	-0.0455
93	S	A	-0.3840
94	T	A	-0.7091
95	I	A	0.0000
96	I	A	-1.0676
97	N	A	-1.7324
98	G	A	0.0000
99	I	A	0.0000
100	E	A	-2.1265
101	W	A	-1.3114
102	A	A	0.0000
103	T	A	0.0000
104	T	A	-1.3747
105	N	A	-1.5796
106	G	A	-1.5996
107	M	A	0.0000
108	H	A	-1.1659
109	V	A	0.0000
110	A	A	0.0000
111	N	A	0.0000
112	L	A	0.0000
113	S	A	0.0000
114	L	A	-0.2590
115	G	A	-0.7860
116	S	A	-0.5516
117	P	A	-0.7152
118	S	A	-0.4268
119	P	A	-0.7701
120	S	A	-0.4986
121	A	A	-0.6853
122	T	A	-0.7741
123	L	A	0.0000
124	E	A	-1.8961
125	Q	A	-1.8299
126	A	A	0.0000
127	V	A	0.0000
128	N	A	-1.5461
129	S	A	-1.6139
130	A	A	0.0000
131	T	A	-1.3249
132	S	A	-1.4254
133	R	A	-2.3125
134	G	A	-1.4523
135	V	A	0.0000
136	L	A	0.0000
137	V	A	0.0000
138	V	A	0.0000
139	A	A	0.0000
140	A	A	0.0000
141	S	A	0.0000
142	G	A	-0.8370
143	N	A	-1.2216
144	S	A	-0.7425
145	G	A	-0.5083
146	A	A	-0.4726
147	G	A	-0.2936
148	S	A	-0.7656
149	I	A	0.0000
150	S	A	0.0000
151	Y	A	-0.9827
152	P	A	0.0000
153	A	A	0.0000
154	R	A	-2.2796
155	Y	A	0.0000
156	A	A	-1.0337
157	N	A	-1.3264
158	A	A	0.0000
159	M	A	0.0000
160	A	A	0.0000
161	V	A	0.0000
162	G	A	0.0000
163	A	A	0.0000
164	T	A	0.0000
165	D	A	-2.0099
166	Q	A	-2.1437
167	N	A	-2.4578
168	N	A	-2.0973
169	N	A	-2.1277
170	R	A	-1.1536
171	A	A	0.0000
172	S	A	-0.4775
173	F	A	-0.3918
174	S	A	0.0000
175	Q	A	0.0000
176	Y	A	0.2073
177	G	A	0.0000
178	A	A	-0.1571
179	G	A	-0.7534
180	L	A	0.0000
181	D	A	-0.6255
182	I	A	0.0000
183	V	A	0.0000
184	A	A	0.0000
185	P	A	-0.6957
186	G	A	0.0000
187	V	A	-1.0401
188	N	A	-1.5506
189	V	A	0.0000
190	Q	A	-0.4403
191	S	A	0.0000
192	T	A	0.0000
193	Y	A	-0.7103
194	T	A	-1.3648
195	G	A	-1.8666
196	N	A	-2.7820
197	R	A	-2.0645
198	Y	A	-0.2332
199	V	A	0.0906
200	S	A	-0.4875
201	L	A	-0.5672
202	N	A	-1.5283
203	G	A	0.0000
204	T	A	0.0000
205	C	A	-0.3054
206	M	A	0.0000
207	A	A	0.0000
208	T	A	0.0000
209	P	A	0.0000
210	H	A	0.0000
211	V	A	0.0000
212	S	A	0.0000
213	G	A	0.0000
214	A	A	0.0000
215	A	A	0.0000
216	A	A	0.0000
217	L	A	-0.6766
218	I	A	0.0000
219	L	A	0.0000
220	S	A	-1.1555
221	K	A	-1.2631
222	H	A	-0.7813
223	P	A	-0.9702
224	T	A	-0.3326
225	W	A	-0.3063
226	T	A	-0.8811
227	N	A	-1.1679
228	A	A	-1.1781
229	Q	A	-1.5565
230	V	A	0.0000
231	R	A	-1.6703
232	D	A	-2.5142
233	R	A	-1.8389
234	L	A	0.0000
235	E	A	0.0000
236	S	A	-1.0375
237	T	A	-0.8780
238	A	A	0.0000
239	T	A	0.4454
240	Y	A	1.0578
241	L	A	0.4056
242	G	A	-0.0117
243	S	A	0.1797
244	S	A	0.2203
245	F	A	0.9199
246	Y	A	0.6722
247	Y	A	0.3207
248	G	A	0.0000
249	K	A	-0.6497
250	G	A	0.0000
251	L	A	0.0085
252	I	A	0.0000
253	N	A	-0.4555
254	V	A	-0.8017
255	E	A	-2.1444
256	A	A	-1.3937
257	A	A	0.0000
258	A	A	-1.4222
259	Q	A	-1.7958