Project name: WL-Type

Chain sequence(s)	D: VHLTPEEKSAVTALWGKVNVDEVGGEALGRLLVVYPWTQRFFESFGDLSTPDAVMGNPKVKAHGKKVLGAFSDGLAHLDNLKGTFATLSELHCDKLHVDPENFRLLGNVLVCVLAHHFGKEFTPPVQAAYQKVVAGVANALAHKYH
Selected Chain(s)	D
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 D chain(s) selected             (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:03:33)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:33)

• Minimal score value: -3.3944
• Maximal score value: 0.8368
• Average score: -1.0523
• Total score value: -153.6318

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
2	V	D	0.5807
3	H	D	-0.6943
4	L	D	0.0000
5	T	D	-1.3334
6	P	D	-1.6863
7	E	D	-2.4292
8	E	D	-1.9589
9	K	D	-1.8380
10	S	D	-1.4176
11	A	D	-1.0145
12	V	D	0.0000
13	T	D	-0.6317
14	A	D	-0.6228
15	L	D	0.0000
16	W	D	-0.5738
17	G	D	-1.1860
18	K	D	-1.8771
19	V	D	0.0000
20	N	D	-1.8336
21	V	D	-0.6558
22	D	D	-2.4902
23	E	D	-2.8139
24	V	D	0.0000
25	G	D	0.0000
26	G	D	0.0000
27	E	D	-1.9191
28	A	D	0.0000
29	L	D	0.0000
30	G	D	0.0000
31	R	D	-0.8029
32	L	D	0.0000
33	L	D	0.0000
34	V	D	0.1095
35	V	D	0.8368
36	Y	D	0.6749
37	P	D	0.0002
38	W	D	0.2121
39	T	D	0.0000
40	Q	D	-1.1016
41	R	D	-1.9217
42	F	D	-0.5422
43	F	D	-1.3094
44	E	D	-2.4907
45	S	D	-1.5307
46	F	D	-1.3872
47	G	D	-1.9804
48	D	D	-2.6979
49	L	D	0.0000
50	S	D	-1.1262
51	T	D	-1.0928
52	P	D	-1.1549
53	D	D	-2.1574
54	A	D	-1.6295
55	V	D	0.0000
56	M	D	-1.2833
57	G	D	-1.5445
58	N	D	0.0000
59	P	D	-1.3328
60	K	D	-1.8516
61	V	D	0.0000
62	K	D	-2.3349
63	A	D	-1.9484
64	H	D	-1.6029
65	G	D	0.0000
66	K	D	-2.4168
67	K	D	-2.1205
68	V	D	-0.7807
69	L	D	0.0000
70	G	D	-1.1639
71	A	D	-0.9234
72	F	D	0.0000
73	S	D	-0.7544
74	D	D	-1.6033
75	G	D	0.0000
76	L	D	-0.8498
77	A	D	-0.9796
78	H	D	-1.9716
79	L	D	-1.5863
80	D	D	-2.5334
81	N	D	-2.7170
82	L	D	0.0000
83	K	D	-2.4771
84	G	D	-1.8009
85	T	D	-1.4378
86	F	D	0.0000
87	A	D	-1.0829
88	T	D	-0.6220
89	L	D	-0.6137
90	S	D	0.0000
91	E	D	-2.8978
92	L	D	-1.4546
93	H	D	-1.6226
94	C	D	0.0000
95	D	D	-3.3944
96	K	D	-2.6912
97	L	D	-1.2751
98	H	D	-2.0703
99	V	D	-1.7919
100	D	D	-2.6568
101	P	D	-2.4165
102	E	D	-3.0016
103	N	D	0.0000
104	F	D	0.0000
105	R	D	-2.8441
106	L	D	-1.2159
107	L	D	-0.8668
108	G	D	0.0000
109	N	D	-1.2294
110	V	D	0.0000
111	L	D	0.0000
112	V	D	0.0000
113	C	D	-0.2458
114	V	D	0.0000
115	L	D	0.0000
116	A	D	-1.2164
117	H	D	-1.5633
118	H	D	-1.8623
119	F	D	-1.7882
120	G	D	-2.1564
121	K	D	-2.7437
122	E	D	-2.3631
123	F	D	0.0000
124	T	D	-1.2102
125	P	D	-0.8754
126	P	D	-0.7458
127	V	D	-0.9307
128	Q	D	-0.9547
129	A	D	-0.6812
130	A	D	0.0000
131	Y	D	0.0000
132	Q	D	-1.1880
133	K	D	-0.6935
134	V	D	0.0000
135	V	D	0.0000
136	A	D	-0.7934
137	G	D	-0.5046
138	V	D	0.0000
139	A	D	0.0000
140	N	D	-1.6958
141	A	D	0.0000
142	L	D	-1.2292
143	A	D	0.0000
144	H	D	-2.4573
145	K	D	-2.8644
146	Y	D	-1.9733
147	H	D	-1.6451