Project name: bab2086d1d541a4

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                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:02:16)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:17)

• Minimal score value: -3.1166
• Maximal score value: 1.9077
• Average score: -1.0272
• Total score value: -149.9662

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	V	D	-0.5599
2	H	D	-1.1938
3	L	D	0.0000
4	T	D	-1.2055
5	P	D	-1.6191
6	E	D	-2.3101
7	E	D	-1.8619
8	K	D	-1.5871
9	S	D	-1.2267
10	A	D	-0.8968
11	V	D	0.0000
12	T	D	-0.7802
13	A	D	-0.6086
14	L	D	0.0000
15	W	D	-0.6765
16	G	D	-1.2129
17	K	D	-1.9234
18	V	D	0.0000
19	N	D	-2.1077
20	V	D	-1.0842
21	D	D	-2.7875
22	E	D	-2.8881
23	V	D	0.0000
24	G	D	0.0000
25	G	D	0.0000
26	E	D	-1.2902
27	A	D	0.0000
28	L	D	0.0000
29	G	D	0.0000
30	R	D	0.2492
31	L	D	0.0000
32	L	D	0.0000
33	V	D	0.9735
34	V	D	1.9077
35	Y	D	1.3047
36	P	D	0.5871
37	W	D	0.7339
38	T	D	0.0000
39	Q	D	-0.9403
40	R	D	-1.9316
41	F	D	-0.6368
42	F	D	-1.4100
43	E	D	-2.5485
44	S	D	-1.6110
45	F	D	-1.4441
46	G	D	-1.9639
47	D	D	-2.6345
48	L	D	-1.7066
49	S	D	-1.0997
50	T	D	-1.0455
51	P	D	-0.8438
52	D	D	-2.0743
53	A	D	-1.5503
54	V	D	0.0000
55	M	D	-0.9412
56	G	D	-1.4199
57	N	D	0.0000
58	P	D	-1.3031
59	K	D	-2.1717
60	V	D	0.0000
61	K	D	-2.4033
62	A	D	-2.1355
63	H	D	-1.7581
64	G	D	0.0000
65	K	D	-2.5687
66	K	D	-2.2851
67	V	D	-1.1303
68	L	D	0.0000
69	G	D	-1.1544
70	A	D	-1.0222
71	F	D	0.0000
72	S	D	-0.8311
73	D	D	-1.4846
74	G	D	0.0000
75	L	D	0.0000
76	A	D	-0.9525
77	H	D	-1.6304
78	L	D	-1.4914
79	D	D	-2.3580
80	N	D	-1.9396
81	L	D	0.0000
82	K	D	-2.1473
83	G	D	-1.5976
84	T	D	-1.2123
85	F	D	0.0000
86	A	D	-0.8716
87	T	D	-0.4113
88	L	D	-0.4729
89	S	D	0.0000
90	E	D	-2.2065
91	L	D	-1.0977
92	H	D	-1.4390
93	C	D	0.0000
94	D	D	-3.1166
95	K	D	-2.5348
96	L	D	-1.2643
97	H	D	-2.0724
98	V	D	-1.6481
99	D	D	-2.6645
100	P	D	-2.7741
101	E	D	-2.9344
102	N	D	-1.8757
103	F	D	0.0000
104	R	D	-2.7750
105	L	D	-1.0232
106	L	D	-0.6437
107	G	D	0.0000
108	N	D	-0.9114
109	V	D	0.0000
110	L	D	0.0000
111	V	D	0.0000
112	C	D	-0.1366
113	V	D	0.0000
114	L	D	0.0000
115	A	D	-1.1775
116	H	D	-1.4463
117	H	D	-1.6027
118	F	D	-1.6981
119	G	D	-2.1210
120	K	D	-2.7912
121	E	D	-2.4807
122	F	D	0.0000
123	T	D	-1.2526
124	P	D	-0.8910
125	P	D	-0.5642
126	V	D	-0.9107
127	Q	D	-1.0352
128	A	D	-0.7533
129	A	D	0.0000
130	Y	D	0.0000
131	Q	D	-1.3178
132	K	D	-1.1210
133	V	D	0.0000
134	V	D	0.0000
135	A	D	-1.1135
136	G	D	-1.0350
137	V	D	0.0000
138	A	D	0.0000
139	N	D	-2.1083
140	A	D	0.0000
141	L	D	-1.3198
142	A	D	0.0000
143	H	D	-2.5576
144	K	D	-2.6390
145	Y	D	-1.9745
146	H	D	-1.7381