Project name: 1LYY

Chain sequence(s)	A: KVFERCELARTLKRLGMDGYRGISLANWMCLAKWESGYNTRATNYNAGDRSTDYGIFQINSRYWCNHGKTPGAVNACHLSCSALLQDNIADAVACAKRVVRDPQGIRAWVAWRNRCQNRDVRQYVQGCGV
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                                          (00:01:00)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:00)

• Minimal score value: -4.1597
• Maximal score value: 1.4027
• Average score: -1.1761
• Total score value: -152.8877

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	K	A	-2.4314
2	V	A	-0.3365
3	F	A	0.0000
4	E	A	-2.2138
5	R	A	-2.0588
6	C	A	-1.7032
7	E	A	-1.9632
8	L	A	0.0000
9	A	A	0.0000
10	R	A	-2.9146
11	T	A	-2.0606
12	L	A	0.0000
13	K	A	-2.8649
14	R	A	-2.8577
15	L	A	-1.4660
16	G	A	-1.7195
17	M	A	0.0000
18	D	A	-2.5253
19	G	A	-1.8814
20	Y	A	-1.8790
21	R	A	-2.6334
22	G	A	-1.6727
23	I	A	0.0000
24	S	A	-1.4447
25	L	A	0.0000
26	A	A	0.0000
27	N	A	-1.1795
28	W	A	0.0000
29	M	A	0.0000
30	C	A	0.0000
31	L	A	0.0000
32	A	A	0.0000
33	K	A	-0.8442
34	W	A	-0.2154
35	E	A	-0.3633
36	S	A	-0.5772
37	G	A	-0.5216
38	Y	A	0.0000
39	N	A	-1.4228
40	T	A	0.0000
41	R	A	-2.4951
42	A	A	-1.3232
43	T	A	-0.8719
44	N	A	-0.6461
45	Y	A	0.0835
46	N	A	-0.8310
47	A	A	-0.9249
48	G	A	-0.9613
49	D	A	-1.7085
50	R	A	-2.3761
51	S	A	-1.4669
52	T	A	-0.8790
53	D	A	0.0000
54	Y	A	0.0000
55	G	A	0.0000
56	I	A	0.0000
57	F	A	0.0000
58	Q	A	0.0000
59	I	A	0.0000
60	N	A	-0.9929
61	S	A	-1.0283
62	R	A	-1.6027
63	Y	A	0.6963
64	W	A	0.0046
65	C	A	0.0000
66	N	A	-1.3951
67	H	A	-2.1801
68	G	A	-1.9382
69	K	A	-2.4483
70	T	A	-1.4060
71	P	A	-0.9195
72	G	A	-0.4703
73	A	A	-0.2813
74	V	A	1.4027
75	N	A	0.1787
76	A	A	0.1357
77	C	A	-0.3803
78	H	A	-0.6558
79	L	A	-0.6465
80	S	A	-1.1739
81	C	A	0.0000
82	S	A	-0.8425
83	A	A	-0.8987
84	L	A	0.0000
85	L	A	-1.9360
86	Q	A	-2.9200
87	D	A	-3.3705
88	N	A	-2.7552
89	I	A	0.0000
90	A	A	-1.1751
91	D	A	-1.1549
92	A	A	0.0000
93	V	A	0.0000
94	A	A	-0.6348
95	C	A	0.0000
96	A	A	0.0000
97	K	A	-1.7997
98	R	A	-2.2072
99	V	A	0.0000
100	V	A	0.0000
101	R	A	-3.2040
102	D	A	-2.1599
103	P	A	-1.6950
104	Q	A	-2.2911
105	G	A	-2.3823
106	I	A	-1.8094
107	R	A	-2.4535
108	A	A	-1.1842
109	W	A	0.0000
110	V	A	-0.2005
111	A	A	-1.0108
112	W	A	-1.9350
113	R	A	-3.1464
114	N	A	-2.9429
115	R	A	-3.3548
116	C	A	0.0000
117	Q	A	-3.5014
118	N	A	-3.3838
119	R	A	-4.1597
120	D	A	-4.0378
121	V	A	-3.0684
122	R	A	-3.4091
123	Q	A	-2.8265
124	Y	A	-1.8104
125	V	A	-1.5347
126	Q	A	-2.1596
127	G	A	-1.1901
128	C	A	0.0000
129	G	A	-0.5525
130	V	A	-0.5369