Project name: wt1_af

Chain sequence(s)	A: AADNPYQRGPDPTNASIEAATGPFAVGTQPIVGASGFGGGQIYYPTDTSQTYGAVVIVPGFISVWAQLNWLGPRLASQGFVVIGIETSVITDLPDPRGDQALAALDWATTRSPVASRIDRTRLAAAGWSMGGGGLRRAALQRPSLKAIVGMAPWNGERNWSAVTVPTLFFGGSSDAVASPNDHAKPFYNSITRAEKDYIELRNADHFFPTSANTTMAKYFISWLKRWVDNDTRYTQFLCPGPSTGLFAPVSASMNTCPF
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                                          (00:02:12)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:15)

• Minimal score value: -3.2025
• Maximal score value: 3.0036
• Average score: -0.2981
• Total score value: -77.2091

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	-0.4175
2	A	A	-0.8866
3	D	A	-1.9340
4	N	A	-1.4367
5	P	A	-0.9374
6	Y	A	-0.5118
7	Q	A	-1.0901
8	R	A	0.0000
9	G	A	-0.8449
10	P	A	-1.3670
11	D	A	-2.0858
12	P	A	0.0000
13	T	A	-1.4163
14	N	A	-1.6979
15	A	A	-0.9389
16	S	A	-1.0986
17	I	A	0.0000
18	E	A	-1.3547
19	A	A	-0.6877
20	A	A	-0.2507
21	T	A	-0.1863
22	G	A	-0.2892
23	P	A	-0.2362
24	F	A	0.0331
25	A	A	0.1764
26	V	A	0.4228
27	G	A	0.0823
28	T	A	-0.1945
29	Q	A	-0.2721
30	P	A	-0.1230
31	I	A	0.0000
32	V	A	1.0833
33	G	A	0.0059
34	A	A	-0.2923
35	S	A	-0.5399
36	G	A	-0.8988
37	F	A	0.0000
38	G	A	-0.1951
39	G	A	0.0000
40	G	A	-0.3489
41	Q	A	-0.5718
42	I	A	0.0000
43	Y	A	0.0000
44	Y	A	0.0909
45	P	A	0.0000
46	T	A	-0.2467
47	D	A	-0.8237
48	T	A	-0.7550
49	S	A	-0.6779
50	Q	A	-0.7214
51	T	A	-0.7225
52	Y	A	0.0000
53	G	A	0.0000
54	A	A	0.0000
55	V	A	0.0000
56	V	A	0.0000
57	I	A	0.0000
58	V	A	0.0000
59	P	A	0.0000
60	G	A	0.0000
61	F	A	2.4175
62	I	A	3.0036
63	S	A	0.0000
64	V	A	0.9723
65	W	A	0.0000
66	A	A	-0.3843
67	Q	A	-0.3362
68	L	A	0.0000
69	N	A	-1.0041
70	W	A	-0.4430
71	L	A	0.0000
72	G	A	0.0000
73	P	A	-0.0999
74	R	A	0.0000
75	L	A	0.0000
76	A	A	0.0000
77	S	A	0.0000
78	Q	A	0.0000
79	G	A	0.0000
80	F	A	0.0000
81	V	A	0.0000
82	V	A	0.0000
83	I	A	0.0000
84	G	A	0.0000
85	I	A	0.0000
86	E	A	-0.1539
87	T	A	0.0000
88	S	A	0.2725
89	V	A	2.1102
90	I	A	2.5380
91	T	A	1.8166
92	D	A	1.2361
93	L	A	1.0587
94	P	A	0.0000
95	D	A	-1.2940
96	P	A	-0.6134
97	R	A	0.0000
98	G	A	0.0000
99	D	A	-1.3135
100	Q	A	0.0000
101	A	A	0.0000
102	L	A	0.0000
103	A	A	-0.6789
104	A	A	0.0000
105	L	A	0.0000
106	D	A	-1.6361
107	W	A	0.0000
108	A	A	0.0000
109	T	A	0.0000
110	T	A	-1.5322
111	R	A	-1.9863
112	S	A	0.0000
113	P	A	-0.6053
114	V	A	0.0000
115	A	A	-1.1566
116	S	A	-0.9301
117	R	A	-0.9338
118	I	A	0.0000
119	D	A	-1.2440
120	R	A	-2.1935
121	T	A	-1.1475
122	R	A	0.0000
123	L	A	0.0000
124	A	A	0.0000
125	A	A	0.0000
126	A	A	0.0000
127	G	A	0.0000
128	W	A	0.0000
129	S	A	0.0000
130	M	A	0.6534
131	G	A	0.0000
132	G	A	0.0000
133	G	A	0.0000
134	G	A	0.0000
135	L	A	0.0000
136	R	A	-1.2556
137	R	A	-1.3956
138	A	A	0.0000
139	A	A	0.0000
140	L	A	-0.3307
141	Q	A	-1.1831
142	R	A	-1.0391
143	P	A	-0.6647
144	S	A	-0.6577
145	L	A	0.0000
146	K	A	-0.8402
147	A	A	0.0000
148	I	A	0.0000
149	V	A	0.0000
150	G	A	0.0000
151	M	A	0.0000
152	A	A	0.0000
153	P	A	0.0000
154	W	A	0.1920
155	N	A	0.0000
156	G	A	-1.4717
157	E	A	-2.3570
158	R	A	-3.2025
159	N	A	-2.5659
160	W	A	0.0000
161	S	A	-1.2393
162	A	A	-0.5070
163	V	A	0.0000
164	T	A	-0.8936
165	V	A	0.0000
166	P	A	-0.6790
167	T	A	0.0000
168	L	A	0.0000
169	F	A	0.0000
170	F	A	0.0000
171	G	A	0.0000
172	G	A	0.0000
173	S	A	-1.2622
174	S	A	-1.0614
175	D	A	0.0000
176	A	A	0.5477
177	V	A	1.6816
178	A	A	0.0000
179	S	A	-0.6074
180	P	A	0.0000
181	N	A	-2.0550
182	D	A	-2.0958
183	H	A	-1.4933
184	A	A	0.0000
185	K	A	-1.5917
186	P	A	-2.1000
187	F	A	0.0000
188	Y	A	0.0000
189	N	A	-1.7611
190	S	A	-1.6334
191	I	A	0.0000
192	T	A	-1.3303
193	R	A	-2.0337
194	A	A	-1.2552
195	E	A	-1.0085
196	K	A	-0.8435
197	D	A	0.0000
198	Y	A	0.0000
199	I	A	0.0000
200	E	A	0.0000
201	L	A	0.0000
202	R	A	-1.0902
203	N	A	-1.9975
204	A	A	-1.1935
205	D	A	-0.8699
206	H	A	0.0000
207	F	A	1.5667
208	F	A	0.0000
209	P	A	0.0000
210	T	A	0.1567
211	S	A	-0.1235
212	A	A	-0.2327
213	N	A	-0.4078
214	T	A	-0.4852
215	T	A	-0.3872
216	M	A	0.0000
217	A	A	0.0000
218	K	A	-0.7673
219	Y	A	0.0000
220	F	A	0.0000
221	I	A	0.0000
222	S	A	0.0000
223	W	A	0.0000
224	L	A	0.0000
225	K	A	0.0000
226	R	A	0.0000
227	W	A	-0.5621
228	V	A	0.0000
229	D	A	0.0000
230	N	A	-1.3888
231	D	A	0.0000
232	T	A	-0.7548
233	R	A	-1.2380
234	Y	A	0.0000
235	T	A	-0.7722
236	Q	A	-1.4629
237	F	A	0.0000
238	L	A	0.0000
239	C	A	-0.4706
240	P	A	-0.5674
241	G	A	-0.4626
242	P	A	-0.2928
243	S	A	-0.0403
244	T	A	0.2228
245	G	A	0.8844
246	L	A	2.1815
247	F	A	2.4142
248	A	A	0.9864
249	P	A	-0.0483
250	V	A	0.0000
251	S	A	-0.1234
252	A	A	-0.2147
253	S	A	-0.1118
254	M	A	-0.1709
255	N	A	-0.4042
256	T	A	-0.2753
257	C	A	-0.0606
258	P	A	-0.0864
259	F	A	0.1999