Project name: 8d481b6ad3cc094

Chain sequence(s)	A: AKCVSYGVMEVQDAWQQGWTGTGVTVAVLDTGVNTHPDLNIRGGASFVAGEPSTQDGNGHGTHVAGTVAGVAPSASLYAVKVLGADGSGSVSSIAQGLEWAGNNGMHVANLSLGSPSPSATLEQAVNSATSRGVLVVAASGNSGAGNVGFPARYANAMAVGATDQNNQRASFSQYGPGLDVLAPGVNVQSTYPGSTYASLNGTCPATPHVAGLAALLAARNPTWTNAQVRDRLESTATTLGNSFYYGKGLINVQAAAQ
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                                          (00:01:00)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:01)

• Minimal score value: -2.7994
• Maximal score value: 0.5959
• Average score: -0.5964
• Total score value: -153.8623

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	-0.9333
2	K	A	-1.7339
3	C	A	0.0000
4	V	A	-0.5715
5	S	A	0.0000
6	Y	A	-0.6280
7	G	A	-0.8270
8	V	A	-0.4840
9	M	A	0.0000
10	E	A	-2.3049
11	V	A	0.0000
12	Q	A	-2.4346
13	D	A	-2.6031
14	A	A	0.0000
15	W	A	-1.7027
16	Q	A	-2.3457
17	Q	A	-2.2182
18	G	A	-1.5703
19	W	A	-0.9456
20	T	A	-0.6292
21	G	A	0.0000
22	T	A	-0.4933
23	G	A	-0.7174
24	V	A	0.0000
25	T	A	-0.6441
26	V	A	0.0000
27	A	A	0.0000
28	V	A	0.0000
29	L	A	0.0000
30	D	A	0.0000
31	T	A	0.0000
32	G	A	0.0000
33	V	A	0.0000
34	N	A	-0.8650
35	T	A	-0.6459
36	H	A	0.0000
37	P	A	-0.8427
38	D	A	-1.3626
39	L	A	0.0000
40	N	A	-1.0201
41	I	A	-0.9670
42	R	A	-1.8613
43	G	A	-1.0893
44	G	A	-0.7849
45	A	A	-0.2271
46	S	A	-0.3066
47	F	A	0.1079
48	V	A	-0.1182
49	A	A	-0.2512
50	G	A	-0.7387
51	E	A	-1.1214
52	P	A	-0.7730
53	S	A	-0.8974
54	T	A	-0.9090
55	Q	A	-1.7022
56	D	A	0.0000
57	G	A	-1.5427
58	N	A	-1.5049
59	G	A	0.0000
60	H	A	-0.3479
61	G	A	0.0000
62	T	A	0.0000
63	H	A	0.0000
64	V	A	0.0000
65	A	A	0.0000
66	G	A	0.0000
67	T	A	0.0000
68	V	A	0.0000
69	A	A	0.0000
70	G	A	0.0000
71	V	A	0.0000
72	A	A	0.0000
73	P	A	-0.3132
74	S	A	-0.4081
75	A	A	0.0000
76	S	A	-0.7046
77	L	A	0.0000
78	Y	A	-0.4485
79	A	A	0.0000
80	V	A	0.0000
81	K	A	0.0000
82	V	A	0.0000
83	L	A	0.0000
84	G	A	0.0000
85	A	A	-1.6532
86	D	A	-2.2386
87	G	A	-1.5209
88	S	A	-1.1713
89	G	A	-0.6047
90	S	A	0.0646
91	V	A	0.5438
92	S	A	0.0614
93	S	A	0.0000
94	I	A	0.0000
95	A	A	0.0000
96	Q	A	-1.0554
97	G	A	0.0000
98	L	A	0.0000
99	E	A	-2.4476
100	W	A	-1.4847
101	A	A	0.0000
102	G	A	0.0000
103	N	A	-2.5502
104	N	A	-2.2395
105	G	A	-1.8232
106	M	A	0.0000
107	H	A	-1.0992
108	V	A	0.0000
109	A	A	0.0000
110	N	A	0.0000
111	L	A	0.0000
112	S	A	0.0000
113	L	A	-0.2920
114	G	A	-0.7191
115	S	A	-0.3913
116	P	A	-0.8710
117	S	A	-0.5285
118	P	A	-0.6940
119	S	A	-0.4996
120	A	A	-0.6458
121	T	A	-0.8184
122	L	A	0.0000
123	E	A	-2.0329
124	Q	A	-2.1284
125	A	A	0.0000
126	V	A	0.0000
127	N	A	-1.8347
128	S	A	-1.8010
129	A	A	0.0000
130	T	A	-1.4849
131	S	A	-1.3922
132	R	A	-2.7265
133	G	A	-1.6324
134	V	A	0.0000
135	L	A	0.0000
136	V	A	0.0000
137	V	A	0.0000
138	A	A	0.0000
139	A	A	0.0000
140	S	A	0.0000
141	G	A	-0.9016
142	N	A	-1.3128
143	S	A	-0.9059
144	G	A	-0.6659
145	A	A	-0.7193
146	G	A	-0.5549
147	N	A	-1.5488
148	V	A	0.0000
149	G	A	-1.1756
150	F	A	-0.8970
151	P	A	0.0000
152	A	A	0.0000
153	R	A	-1.7973
154	Y	A	0.0000
155	A	A	-0.8568
156	N	A	-1.2989
157	A	A	0.0000
158	M	A	0.0000
159	A	A	0.0000
160	V	A	0.0000
161	G	A	0.0000
162	A	A	0.0000
163	T	A	0.0000
164	D	A	-2.1241
165	Q	A	-2.3435
166	N	A	-2.3665
167	N	A	-1.8329
168	Q	A	-2.0563
169	R	A	-1.1120
170	A	A	0.0000
171	S	A	-0.4868
172	F	A	-0.4153
173	S	A	0.0000
174	Q	A	-0.7102
175	Y	A	-0.1501
176	G	A	0.0000
177	P	A	-0.5527
178	G	A	-0.9373
179	L	A	0.0000
180	D	A	-0.7048
181	V	A	0.0000
182	L	A	0.0000
183	A	A	0.0000
184	P	A	0.0000
185	G	A	0.0000
186	V	A	-1.3775
187	N	A	-1.8329
188	V	A	0.0000
189	Q	A	-1.0929
190	S	A	0.0000
191	T	A	0.0000
192	Y	A	0.1420
193	P	A	-0.4741
194	G	A	-0.5233
195	S	A	-0.5046
196	T	A	0.0350
197	Y	A	0.1048
198	A	A	-0.0185
199	S	A	-0.7317
200	L	A	-0.7596
201	N	A	-1.5862
202	G	A	0.0000
203	T	A	0.0000
204	C	A	-0.2777
205	P	A	0.0000
206	A	A	0.0000
207	T	A	0.0000
208	P	A	0.0000
209	H	A	0.0000
210	V	A	0.0000
211	A	A	0.0000
212	G	A	0.0000
213	L	A	0.0000
214	A	A	0.0000
215	A	A	0.0000
216	L	A	0.0000
217	L	A	0.0000
218	A	A	-0.6906
219	A	A	-0.7158
220	R	A	-1.1438
221	N	A	-0.7802
222	P	A	-0.5977
223	T	A	-0.3404
224	W	A	-0.3452
225	T	A	-0.9017
226	N	A	-1.2816
227	A	A	-1.2949
228	Q	A	-1.7867
229	V	A	0.0000
230	R	A	-1.9312
231	D	A	-2.7994
232	R	A	-2.1204
233	L	A	0.0000
234	E	A	-1.8678
235	S	A	-1.4458
236	T	A	-1.1387
237	A	A	-0.7472
238	T	A	-0.4089
239	T	A	-0.5831
240	L	A	-0.4651
241	G	A	-0.8019
242	N	A	-0.9994
243	S	A	-0.3904
244	F	A	0.5354
245	Y	A	0.5959
246	Y	A	-0.1301
247	G	A	0.0000
248	K	A	-1.3017
249	G	A	0.0000
250	L	A	0.0000
251	I	A	0.0000
252	N	A	-0.7289
253	V	A	0.0000
254	Q	A	-1.4200
255	A	A	-0.9441
256	A	A	0.0000
257	A	A	-1.1576
258	Q	A	-1.2650