Project name: LYSOZME_Unfolded

Chain sequence(s)	A: KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWVAWRNRCKGTDVQAWIRGCRL
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:03)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:03)

• Minimal score value: -3.4714
• Maximal score value: 0.4261
• Average score: -1.1401
• Total score value: -147.0791

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	-1.4795
2	V	A	0.2262
3	F	A	0.0000
4	G	A	-0.9414
5	R	A	-1.1629
6	C	A	-1.0254
7	E	A	-1.2550
8	L	A	0.0000
9	A	A	0.0000
10	A	A	-1.0402
11	A	A	-1.2357
12	M	A	0.0000
13	K	A	-1.9206
14	R	A	-2.3686
15	H	A	-1.9216
16	G	A	-1.8230
17	L	A	0.0000
18	D	A	-2.2155
19	N	A	-2.2776
20	Y	A	-1.7212
21	R	A	-2.3772
22	G	A	-1.8199
23	Y	A	-1.2571
24	S	A	-1.3572
25	L	A	0.0000
26	G	A	0.0000
27	N	A	-0.8847
28	W	A	0.0000
29	V	A	0.0000
30	C	A	0.0000
31	A	A	0.0000
32	A	A	0.0000
33	K	A	-1.0740
34	F	A	-0.4875
35	E	A	-0.4196
36	S	A	0.0000
37	N	A	-1.3396
38	F	A	0.0000
39	N	A	-1.0827
40	T	A	0.0000
41	Q	A	-1.4270
42	A	A	-1.2124
43	T	A	-1.5675
44	N	A	-2.4458
45	R	A	-3.0546
46	N	A	-2.3925
47	T	A	-1.4958
48	D	A	-2.2916
49	G	A	-1.9747
50	S	A	0.0000
51	T	A	0.0000
52	D	A	-1.5787
53	Y	A	0.0000
54	G	A	0.0000
55	I	A	0.0000
56	L	A	0.0000
57	Q	A	0.0000
58	I	A	0.0000
59	N	A	-1.4823
60	S	A	0.0000
61	R	A	-2.3575
62	W	A	-0.9307
63	W	A	-1.0672
64	C	A	0.0000
65	N	A	-2.7265
66	D	A	-2.0631
67	G	A	-1.9922
68	R	A	-2.6528
69	T	A	-2.2946
70	P	A	-1.7030
71	G	A	-1.4268
72	S	A	-2.1515
73	R	A	-2.5739
74	N	A	-2.0314
75	L	A	-0.8143
76	C	A	-1.0665
77	N	A	-1.5740
78	I	A	-0.7743
79	P	A	-1.1018
80	C	A	0.0000
81	S	A	-0.5893
82	A	A	-0.4380
83	L	A	0.0000
84	L	A	-0.9804
85	S	A	-1.3475
86	S	A	-1.6095
87	D	A	-2.1244
88	I	A	0.0000
89	T	A	-1.0177
90	A	A	-0.7316
91	S	A	0.0000
92	V	A	0.0000
93	N	A	-1.7031
94	C	A	0.0000
95	A	A	0.0000
96	K	A	-1.7857
97	K	A	-1.9131
98	I	A	0.0000
99	V	A	0.0000
100	S	A	-2.1483
101	D	A	-2.7161
102	G	A	-2.1699
103	N	A	-2.1988
104	G	A	-1.8973
105	M	A	0.0000
106	N	A	-1.5097
107	A	A	-0.6607
108	W	A	0.0000
109	V	A	0.4261
110	A	A	-0.9730
111	W	A	0.0000
112	R	A	-3.1225
113	N	A	-3.0301
114	R	A	-3.0622
115	C	A	0.0000
116	K	A	-3.4714
117	G	A	-2.2815
118	T	A	-2.1419
119	D	A	-2.2898
120	V	A	-1.7666
121	Q	A	-1.6936
122	A	A	-1.3654
123	W	A	-0.9125
124	I	A	-1.0405
125	R	A	-2.2975
126	G	A	-1.4233
127	C	A	-1.2577
128	R	A	-1.4839
129	L	A	0.1358