Project name: 1WLA_A3D_static

Chain sequence(s)	A: GLSDGEWQQVLNVWGKVEADIAGHGQEVLIRLFTGHPETLEKFDKFKHLKTEAEMKASEDLKKHGTVVLTALGGILKKKGHHEAELKPLAQSHATKHKIPIKYLEFISDAIIHVLHSKHPGDFGADAQGAMTKALELFRNDIAAKYKELGFQG
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                                          (00:03:31)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:32)

• Minimal score value: -3.3903
• Maximal score value: 1.4247
• Average score: -1.3376
• Total score value: -204.6515

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	-1.0393
2	L	A	-1.1528
3	S	A	-1.6496
4	D	A	-2.7430
5	G	A	-2.0787
6	E	A	-2.4036
7	W	A	0.0000
8	Q	A	-2.5266
9	Q	A	-2.2260
10	V	A	0.0000
11	L	A	-1.5220
12	N	A	-1.8836
13	V	A	0.0000
14	W	A	0.0000
15	G	A	-1.8067
16	K	A	-1.8564
17	V	A	0.0000
18	E	A	-2.4473
19	A	A	-1.6138
20	D	A	-1.8202
21	I	A	-1.0999
22	A	A	-1.2022
23	G	A	-1.0860
24	H	A	0.0000
25	G	A	0.0000
26	Q	A	-1.8494
27	E	A	-1.7622
28	V	A	0.0000
29	L	A	0.0000
30	I	A	0.0000
31	R	A	-1.9203
32	L	A	0.0000
33	F	A	0.0000
34	T	A	-1.3806
35	G	A	-1.1198
36	H	A	-1.2472
37	P	A	-1.9360
38	E	A	-2.2614
39	T	A	0.0000
40	L	A	-2.3922
41	E	A	-3.3903
42	K	A	-2.7646
43	F	A	-2.4162
44	D	A	-3.1463
45	K	A	-2.6781
46	F	A	0.0000
47	K	A	-3.1498
48	H	A	-2.5978
49	L	A	0.0000
50	K	A	-2.5876
51	T	A	-2.1366
52	E	A	-2.4807
53	A	A	-1.8538
54	E	A	-2.3417
55	M	A	0.0000
56	K	A	-2.8598
57	A	A	-1.9374
58	S	A	-2.4648
59	E	A	-3.2995
60	D	A	-2.8984
61	L	A	0.0000
62	K	A	-2.7245
63	K	A	-2.5069
64	H	A	-1.0053
65	G	A	0.0000
66	T	A	-0.0414
67	V	A	1.4247
68	V	A	0.9337
69	L	A	0.0000
70	T	A	0.4363
71	A	A	0.4763
72	L	A	0.0000
73	G	A	0.0000
74	G	A	-1.1192
75	I	A	0.0000
76	L	A	0.0000
77	K	A	-2.5219
78	K	A	-2.7484
79	K	A	-2.5297
80	G	A	-1.8383
81	H	A	-2.3788
82	H	A	0.0000
83	E	A	-2.8279
84	A	A	-1.7665
85	E	A	-1.7806
86	L	A	0.0000
87	K	A	-2.4337
88	P	A	-1.5724
89	L	A	-0.8635
90	A	A	0.0000
91	Q	A	-1.8400
92	S	A	-1.7899
93	H	A	-1.5822
94	A	A	0.0000
95	T	A	-1.5509
96	K	A	-2.6520
97	H	A	-2.4340
98	K	A	-2.1461
99	I	A	-1.2096
100	P	A	-1.0049
101	I	A	-1.0625
102	K	A	-1.6387
103	Y	A	-0.8623
104	L	A	-0.9075
105	E	A	-1.8263
106	F	A	-0.9829
107	I	A	-0.7204
108	S	A	-1.3969
109	D	A	-1.9035
110	A	A	0.0000
111	I	A	0.0000
112	I	A	-0.7179
113	H	A	-1.2840
114	V	A	0.0000
115	L	A	0.0000
116	H	A	-1.4867
117	S	A	-1.2185
118	K	A	-1.8639
119	H	A	-1.7612
120	P	A	-1.6029
121	G	A	-1.7665
122	D	A	-2.3949
123	F	A	0.0000
124	G	A	-1.6557
125	A	A	-1.3740
126	D	A	-2.1523
127	A	A	-1.9596
128	Q	A	-1.2801
129	G	A	-1.3413
130	A	A	0.0000
131	M	A	0.0000
132	T	A	-1.3824
133	K	A	-1.5695
134	A	A	0.0000
135	L	A	0.0000
136	E	A	-2.6637
137	L	A	-1.6148
138	F	A	-1.1605
139	R	A	-2.1155
140	N	A	-2.1001
141	D	A	-1.8520
142	I	A	0.0000
143	A	A	-1.2885
144	A	A	-1.6604
145	K	A	-2.1014
146	Y	A	0.0000
147	K	A	-2.8702
148	E	A	-2.6429
149	L	A	-1.2328
150	G	A	-1.7370
151	F	A	-1.4804
152	Q	A	-1.8871
153	G	A	-1.5040