Project name: 53abc1b1afaa05b

Chain sequence(s)	D: VHLTPVEKSAVTALWGKVNVDEVGGEALGRLLVVYPWTQRFFESFGDLSTPDAVMGNPKVKAHGKKVLGAFSDGLAHLDNLKGTFATLSELHCDKLHVDPENFRLLGNVLVCVLAHHFGKEFTPPVQAAYQKVVAGVANALAHKYH
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                                          (00:01:55)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:56)

• Minimal score value: -3.3044
• Maximal score value: 1.1692
• Average score: -0.9551
• Total score value: -139.4467

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	-0.6931
4	L	D	0.0000
5	T	D	-0.1705
6	P	D	0.0457
7	V	D	1.1692
8	E	D	-0.2170
9	K	D	-0.7030
10	S	D	-0.1569
11	A	D	-0.0621
12	V	D	0.0000
13	T	D	-0.6300
14	A	D	-0.6223
15	L	D	0.0000
16	W	D	-0.5706
17	G	D	-1.1820
18	K	D	-1.8702
19	V	D	0.0000
20	N	D	-1.8119
21	V	D	-0.6505
22	D	D	-2.5127
23	E	D	-2.8489
24	V	D	0.0000
25	G	D	0.0000
26	G	D	0.0000
27	E	D	-1.9229
28	A	D	0.0000
29	L	D	0.0000
30	G	D	0.0000
31	R	D	-0.3981
32	L	D	0.0000
33	L	D	0.0000
34	V	D	0.3979
35	V	D	0.9598
36	Y	D	0.7510
37	P	D	0.0721
38	W	D	0.2123
39	T	D	0.0000
40	Q	D	-1.0801
41	R	D	-1.9247
42	F	D	-0.5437
43	F	D	-1.3094
44	E	D	-2.4906
45	S	D	-1.5306
46	F	D	-1.3872
47	G	D	-1.9802
48	D	D	-2.6979
49	L	D	0.0000
50	S	D	-1.1066
51	T	D	-1.0573
52	P	D	-1.0359
53	D	D	-2.1181
54	A	D	-1.5951
55	V	D	0.0000
56	M	D	-1.1547
57	G	D	-1.5318
58	N	D	0.0000
59	P	D	-1.3256
60	K	D	-1.8468
61	V	D	0.0000
62	K	D	-2.3552
63	A	D	-1.9524
64	H	D	-1.6038
65	G	D	0.0000
66	K	D	-2.4341
67	K	D	-2.1229
68	V	D	-0.7810
69	L	D	0.0000
70	G	D	-1.1658
71	A	D	-0.9235
72	F	D	0.0000
73	S	D	-0.7545
74	D	D	-1.6033
75	G	D	0.0000
76	L	D	-0.8490
77	A	D	-0.9795
78	H	D	-1.9723
79	L	D	-1.5863
80	D	D	-2.5344
81	N	D	-2.7190
82	L	D	0.0000
83	K	D	-2.4756
84	G	D	-1.8016
85	T	D	-1.4420
86	F	D	0.0000
87	A	D	-1.0259
88	T	D	-0.5358
89	L	D	-0.5216
90	S	D	0.0000
91	E	D	-2.6015
92	L	D	-1.3047
93	H	D	-1.5396
94	C	D	0.0000
95	D	D	-3.3044
96	K	D	-2.6105
97	L	D	-1.2249
98	H	D	-2.0291
99	V	D	-1.7911
100	D	D	-2.6572
101	P	D	-2.4116
102	E	D	-3.0029
103	N	D	0.0000
104	F	D	0.0000
105	R	D	-2.8459
106	L	D	-1.2281
107	L	D	-0.8368
108	G	D	0.0000
109	N	D	-1.2968
110	V	D	0.0000
111	L	D	0.0000
112	V	D	0.0000
113	C	D	-0.4601
114	V	D	0.0000
115	L	D	0.0000
116	A	D	-1.3098
117	H	D	-1.6361
118	H	D	-1.8960
119	F	D	-1.7881
120	G	D	-2.1564
121	K	D	-2.7436
122	E	D	-2.3631
123	F	D	0.0000
124	T	D	-1.2101
125	P	D	-0.8754
126	P	D	-0.3618
127	V	D	-0.5360
128	Q	D	-0.9828
129	A	D	-0.6802
130	A	D	0.0000
131	Y	D	0.0000
132	Q	D	-1.1880
133	K	D	-0.6926
134	V	D	0.0000
135	V	D	0.0000
136	A	D	-0.7938
137	G	D	-0.5056
138	V	D	0.0000
139	A	D	0.0000
140	N	D	-1.7004
141	A	D	0.0000
142	L	D	-1.1923
143	A	D	0.0000
144	H	D	-2.4330
145	K	D	-2.9014
146	Y	D	-1.9886
147	H	D	-1.6766