Project name: wt3_af

Chain sequence(s)	A: AQNPHERGPDPSNSYIEQARGSYSVSQRSISRLGSDGFRDGTMYYPTSTADGRFGVVAISPGYTASESTIAWLGPRLASFGFVVVTINTDSRYDQPRQRATQLHAALDHAIGDSVVGPRIDTSRQAVMGHSMGGGGALQAAEERDEIRAAVPLTPWNLKKGWSGVDAATLVIGAENDAIAPVRSHSIPFYESLTNAERRAYLELRREGHFAPNSSNTLIAKYSVSWLKRYVDNDLRYDQFIDPGPRTGITTGVSDYRLG
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                                          (00:04:06)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:09)

• Minimal score value: -3.775
• Maximal score value: 1.8493
• Average score: -0.6331
• Total score value: -163.9821

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	-0.6277
2	Q	A	-1.5605
3	N	A	-1.3786
4	P	A	-1.6710
5	H	A	-1.9703
6	E	A	-2.1145
7	R	A	0.0000
8	G	A	-1.1418
9	P	A	-1.3547
10	D	A	-2.1110
11	P	A	0.0000
12	S	A	-1.5212
13	N	A	-1.9243
14	S	A	-1.3726
15	Y	A	-1.5389
16	I	A	0.0000
17	E	A	-2.1083
18	Q	A	-2.0133
19	A	A	-1.3577
20	R	A	-1.9494
21	G	A	-1.2164
22	S	A	-0.6695
23	Y	A	-0.3226
24	S	A	-0.2789
25	V	A	-0.2176
26	S	A	-0.6638
27	Q	A	-1.5588
28	R	A	-1.3389
29	S	A	-1.1768
30	I	A	0.0000
31	S	A	-1.2865
32	R	A	-2.3778
33	L	A	-0.1099
34	G	A	-0.9946
35	S	A	-1.7955
36	D	A	-2.7890
37	G	A	-2.3820
38	F	A	0.0000
39	R	A	-3.1248
40	D	A	-2.0926
41	G	A	0.0000
42	T	A	-0.7180
43	M	A	0.0000
44	Y	A	0.0000
45	Y	A	0.0000
46	P	A	0.0000
47	T	A	-0.2000
48	S	A	-0.6183
49	T	A	-1.0517
50	A	A	-0.9852
51	D	A	-2.1429
52	G	A	-2.1217
53	R	A	-2.5849
54	F	A	0.0000
55	G	A	0.0000
56	V	A	0.0000
57	V	A	0.0000
58	A	A	0.0000
59	I	A	0.0000
60	S	A	0.0000
61	P	A	0.0000
62	G	A	0.0000
63	Y	A	0.5184
64	T	A	-0.0609
65	A	A	-0.2785
66	S	A	-0.6511
67	E	A	-0.5024
68	S	A	-0.4282
69	T	A	-0.1015
70	I	A	0.0000
71	A	A	-0.1744
72	W	A	-0.0732
73	L	A	0.0000
74	G	A	0.0000
75	P	A	-0.3995
76	R	A	0.0000
77	L	A	0.0000
78	A	A	0.0000
79	S	A	0.0000
80	F	A	0.0000
81	G	A	0.0000
82	F	A	0.0000
83	V	A	0.0000
84	V	A	0.0000
85	V	A	0.0000
86	T	A	0.0000
87	I	A	0.0000
88	N	A	-1.7535
89	T	A	0.0000
90	D	A	-3.1980
91	S	A	-1.7023
92	R	A	-1.6901
93	Y	A	0.1524
94	D	A	0.0000
95	Q	A	-0.9640
96	P	A	0.0000
97	R	A	-2.4294
98	Q	A	-2.0938
99	R	A	0.0000
100	A	A	0.0000
101	T	A	-1.1505
102	Q	A	0.0000
103	L	A	0.0000
104	H	A	-0.8652
105	A	A	-1.1079
106	A	A	0.0000
107	L	A	0.0000
108	D	A	-1.6809
109	H	A	-1.4003
110	A	A	0.0000
111	I	A	-0.4209
112	G	A	-0.7431
113	D	A	-0.4193
114	S	A	0.0139
115	V	A	0.6567
116	V	A	0.0000
117	G	A	-0.5049
118	P	A	-0.6403
119	R	A	-1.1664
120	I	A	0.0000
121	D	A	-1.0110
122	T	A	-0.7458
123	S	A	-0.9288
124	R	A	0.0000
125	Q	A	0.0000
126	A	A	0.0000
127	V	A	0.0000
128	M	A	0.0000
129	G	A	0.0000
130	H	A	0.0000
131	S	A	0.0000
132	M	A	0.2351
133	G	A	0.0000
134	G	A	0.0000
135	G	A	0.0000
136	G	A	0.0000
137	A	A	0.0000
138	L	A	0.0000
139	Q	A	0.0000
140	A	A	0.0000
141	A	A	0.0000
142	E	A	-2.4719
143	E	A	-3.0478
144	R	A	-2.8116
145	D	A	-3.3635
146	E	A	-2.3515
147	I	A	0.0000
148	R	A	-2.4409
149	A	A	0.0000
150	A	A	0.0000
151	V	A	0.0000
152	P	A	0.0000
153	L	A	0.0000
154	T	A	0.0000
155	P	A	0.0000
156	W	A	0.5730
157	N	A	0.0000
158	L	A	0.7939
159	K	A	-0.7462
160	K	A	-1.2140
161	G	A	-1.1258
162	W	A	0.0000
163	S	A	-1.5454
164	G	A	-1.7742
165	V	A	0.0000
166	D	A	-3.7750
167	A	A	0.0000
168	A	A	0.0000
169	T	A	0.0000
170	L	A	0.0000
171	V	A	0.0000
172	I	A	0.0000
173	G	A	0.0000
174	A	A	0.0000
175	E	A	-2.1036
176	N	A	-1.7855
177	D	A	0.0000
178	A	A	0.4045
179	I	A	1.6173
180	A	A	0.0000
181	P	A	-0.4912
182	V	A	0.0000
183	R	A	-1.9302
184	S	A	-0.9061
185	H	A	0.0000
186	S	A	0.0000
187	I	A	-1.0554
188	P	A	-1.4195
189	F	A	0.0000
190	Y	A	0.0000
191	E	A	-2.1102
192	S	A	-1.4649
193	L	A	0.0000
194	T	A	-1.8908
195	N	A	-2.5866
196	A	A	-2.9106
197	E	A	-3.1618
198	R	A	-2.0119
199	R	A	-1.6861
200	A	A	0.0000
201	Y	A	0.0000
202	L	A	0.0000
203	E	A	0.0000
204	L	A	0.0000
205	R	A	-1.5731
206	R	A	-2.5675
207	E	A	-1.7926
208	G	A	-0.5686
209	H	A	0.0000
210	F	A	1.8493
211	A	A	0.3350
212	P	A	0.0000
213	N	A	0.1958
214	S	A	-0.1377
215	S	A	-0.3740
216	N	A	-0.4063
217	T	A	-0.5400
218	L	A	-0.0421
219	I	A	0.0000
220	A	A	0.0000
221	K	A	0.0000
222	Y	A	0.0000
223	S	A	0.0000
224	V	A	0.0000
225	S	A	0.0000
226	W	A	0.0000
227	L	A	0.0000
228	K	A	0.0000
229	R	A	-0.7407
230	Y	A	0.0000
231	V	A	0.0000
232	D	A	0.0000
233	N	A	-1.5223
234	D	A	0.0000
235	L	A	0.4729
236	R	A	-0.7256
237	Y	A	0.0000
238	D	A	-1.1942
239	Q	A	-1.8061
240	F	A	0.0000
241	I	A	0.0000
242	D	A	-1.8210
243	P	A	-1.5387
244	G	A	-1.4034
245	P	A	-1.3084
246	R	A	-2.0536
247	T	A	-0.8240
248	G	A	0.1933
249	I	A	1.6006
250	T	A	0.5292
251	T	A	-0.0875
252	G	A	-0.7144
253	V	A	0.0000
254	S	A	-0.7516
255	D	A	-0.8599
256	Y	A	-0.5311
257	R	A	-0.7493
258	L	A	-0.4232
259	G	A	-1.0637