Project name: test_wei

Chain sequence(s)	A: GPPVAWGVDLVGAPALHAEGYTGQGVKVAVLDDGIDRRVPNLNVAGGKSFVPSEPDYLVDLNGHGTAVASWVLDVAPDAELYSVKVLGADGSGQYSWIIAGINWAIANGADVILMSLGGPSGSAELAAAVDAAAEAGIFVVAAAGNSGTSGSSSTVSYPAALPSVLAVGAVDRNNQRLPFSSVGPELDVAAPGEDVPVRVPGDTAHSGTCPAAARVAGAAALILSRHPDWTAEEVRRALLETATPLGDAFYYGAGLIDVDKASRLEL
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]                                                (00:00:01)
[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                                          (00:01:44)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:45)

• Minimal score value: -3.309
• Maximal score value: 1.0667
• Average score: -0.5807
• Total score value: -155.0531

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	G	A	-0.2865
2	P	A	-0.0935
3	P	A	0.2167
4	V	A	1.0667
5	A	A	0.1744
6	W	A	-0.5650
7	G	A	0.0000
8	V	A	0.0000
9	D	A	-1.2384
10	L	A	-0.8243
11	V	A	0.0000
12	G	A	-1.1461
13	A	A	0.0000
14	P	A	-0.5114
15	A	A	-0.8433
16	L	A	0.0000
17	H	A	-0.6513
18	A	A	-0.6210
19	E	A	-1.1869
20	G	A	-1.0162
21	Y	A	-0.7390
22	T	A	-1.1111
23	G	A	0.0000
24	Q	A	-2.1222
25	G	A	-1.6373
26	V	A	0.0000
27	K	A	-1.3199
28	V	A	0.0000
29	A	A	0.0000
30	V	A	0.0000
31	L	A	0.0000
32	D	A	0.0000
33	D	A	0.0000
34	G	A	0.0000
35	I	A	0.0000
36	D	A	-1.2361
37	R	A	-2.7921
38	R	A	-2.8820
39	V	A	0.0000
40	P	A	-2.0419
41	N	A	-2.2885
42	L	A	0.0000
43	N	A	-1.5495
44	V	A	-0.5081
45	A	A	-0.1591
46	G	A	-0.3408
47	G	A	-0.4845
48	K	A	-0.9937
49	S	A	0.0000
50	F	A	-0.1765
51	V	A	0.0000
52	P	A	-0.4667
53	S	A	-0.5611
54	E	A	-0.3469
55	P	A	-0.7687
56	D	A	-0.7633
57	Y	A	-0.4007
58	L	A	-0.4478
59	V	A	-0.0160
60	D	A	0.0000
61	L	A	0.9211
62	N	A	-0.5811
63	G	A	-0.2060
64	H	A	-0.3393
65	G	A	0.0000
66	T	A	0.0000
67	A	A	0.0000
68	V	A	0.0000
69	A	A	0.0000
70	S	A	0.0000
71	W	A	0.0000
72	V	A	0.0000
73	L	A	0.0000
74	D	A	-0.3905
75	V	A	0.0000
76	A	A	0.0000
77	P	A	-1.3856
78	D	A	-2.3417
79	A	A	0.0000
80	E	A	-1.5847
81	L	A	0.0000
82	Y	A	-0.3116
83	S	A	0.0000
84	V	A	0.0000
85	K	A	0.0000
86	V	A	0.0000
87	L	A	0.0000
88	G	A	0.0000
89	A	A	-0.7882
90	D	A	-1.9333
91	G	A	-1.2891
92	S	A	-1.3655
93	G	A	-1.1433
94	Q	A	-1.0365
95	Y	A	-0.4661
96	S	A	-0.3296
97	W	A	-0.0382
98	I	A	0.0000
99	I	A	-0.2051
100	A	A	-0.1471
101	G	A	0.0000
102	I	A	0.0000
103	N	A	-0.8493
104	W	A	-0.5357
105	A	A	0.0000
106	I	A	-0.4031
107	A	A	-0.3668
108	N	A	-0.8980
109	G	A	-0.6235
110	A	A	0.0000
111	D	A	-0.8966
112	V	A	0.0000
113	I	A	0.0000
114	L	A	0.0000
115	M	A	0.0000
116	S	A	0.0000
117	L	A	-0.1252
118	G	A	-0.5830
119	G	A	-0.5335
120	P	A	-0.5085
121	S	A	-0.5114
122	G	A	-0.6594
123	S	A	-0.6951
124	A	A	-0.9150
125	E	A	-1.8026
126	L	A	0.0000
127	A	A	-0.7849
128	A	A	-0.8182
129	A	A	0.0000
130	V	A	0.0000
131	D	A	-1.5123
132	A	A	-1.1290
133	A	A	0.0000
134	A	A	-1.4029
135	E	A	-2.1795
136	A	A	-1.0682
137	G	A	-1.2680
138	I	A	0.0000
139	F	A	0.0000
140	V	A	0.0000
141	V	A	0.0000
142	A	A	0.0000
143	A	A	0.0000
144	A	A	0.0000
145	G	A	-0.6655
146	N	A	-1.1977
147	S	A	-0.7173
148	G	A	0.0000
149	T	A	-0.4489
150	S	A	-0.6347
151	G	A	-0.7557
152	S	A	-0.5951
153	S	A	-0.5290
154	S	A	-0.4671
155	T	A	-0.6114
156	V	A	0.0000
157	S	A	-0.4973
158	Y	A	-0.0546
159	P	A	0.0000
160	A	A	0.0000
161	A	A	-0.3945
162	L	A	0.0000
163	P	A	-0.5348
164	S	A	-0.7250
165	V	A	0.0000
166	L	A	0.0000
167	A	A	0.0000
168	V	A	0.0000
169	G	A	0.0000
170	A	A	0.0000
171	V	A	0.0000
172	D	A	-2.9379
173	R	A	-3.3090
174	N	A	-2.9012
175	N	A	-2.4139
176	Q	A	-2.7490
177	R	A	-2.2935
178	L	A	0.0000
179	P	A	-0.6368
180	F	A	-0.1518
181	S	A	0.0000
182	S	A	0.0000
183	V	A	0.0000
184	G	A	0.0000
185	P	A	-0.4835
186	E	A	-0.7801
187	L	A	0.0000
188	D	A	-0.3668
189	V	A	0.0000
190	A	A	0.0000
191	A	A	0.0000
192	P	A	0.0000
193	G	A	0.0000
194	E	A	-2.3126
195	D	A	-2.5719
196	V	A	0.0000
197	P	A	-0.9439
198	V	A	-0.9521
199	R	A	-1.3593
200	V	A	-1.0108
201	P	A	-0.8632
202	G	A	-1.0192
203	D	A	-1.2383
204	T	A	-1.0345
205	A	A	-1.3190
206	H	A	-1.3171
207	S	A	-1.3004
208	G	A	0.0000
209	T	A	0.0000
210	C	A	-0.1555
211	P	A	0.0000
212	A	A	0.0000
213	A	A	0.0000
214	A	A	0.0000
215	R	A	0.0000
216	V	A	0.0000
217	A	A	0.0000
218	G	A	0.0000
219	A	A	0.0000
220	A	A	0.0000
221	A	A	0.0000
222	L	A	0.0000
223	I	A	0.0000
224	L	A	-0.7651
225	S	A	-0.9639
226	R	A	-1.0518
227	H	A	-1.1177
228	P	A	-1.3012
229	D	A	-1.9788
230	W	A	-1.0555
231	T	A	-1.5184
232	A	A	0.0000
233	E	A	-2.1873
234	E	A	-1.7249
235	V	A	0.0000
236	R	A	-1.8663
237	R	A	-2.2984
238	A	A	0.0000
239	L	A	0.0000
240	L	A	-1.2578
241	E	A	-2.3086
242	T	A	0.0000
243	A	A	-1.0083
244	T	A	-0.4626
245	P	A	-0.6892
246	L	A	-0.7555
247	G	A	-1.4204
248	D	A	-1.7484
249	A	A	-0.8118
250	F	A	-0.4107
251	Y	A	-0.4537
252	Y	A	0.0000
253	G	A	0.0000
254	A	A	-0.5150
255	G	A	0.0000
256	L	A	0.0000
257	I	A	0.0000
258	D	A	-1.3926
259	V	A	0.0000
260	D	A	-1.6447
261	K	A	-2.5278
262	A	A	0.0000
263	S	A	0.0000
264	R	A	-2.0918
265	L	A	-1.7442
266	E	A	-1.2880
267	L	A	0.2679