Project name: LYSOZYME_Unfolded

Chain sequence(s)	X: KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWVAWRNRCKGTDVQAWIRGCRL
Selected Chain(s)	X
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 X 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                                          (00:00:57)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:57)

• Minimal score value: -3.4671
• Maximal score value: 0.9043
• Average score: -0.9946
• Total score value: -127.3087

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	X	-1.3817
2	V	X	0.5101
3	F	X	-0.5121
4	G	X	-0.7872
5	R	X	-1.5296
6	C	X	-1.4876
7	E	X	-2.0276
8	L	X	0.0000
9	A	X	0.0000
10	A	X	-2.1523
11	A	X	-2.2224
12	M	X	0.0000
13	K	X	-3.4671
14	R	X	-3.2644
15	H	X	-2.5384
16	G	X	-2.0436
17	L	X	0.0000
18	D	X	-2.2799
19	N	X	-2.1227
20	Y	X	-1.4184
21	R	X	-2.2235
22	G	X	-1.7026
23	Y	X	-1.3026
24	S	X	0.0000
25	L	X	0.0000
26	G	X	0.0000
27	N	X	0.0000
28	W	X	0.0000
29	V	X	0.0000
30	C	X	0.0000
31	A	X	0.0000
32	A	X	0.0000
33	K	X	-1.3853
34	F	X	-0.5736
35	E	X	-0.7457
36	S	X	-1.3346
37	N	X	-1.4942
38	F	X	0.0000
39	N	X	-1.3808
40	T	X	0.0000
41	Q	X	-1.7590
42	A	X	-1.1816
43	T	X	-1.2490
44	N	X	-2.0026
45	R	X	-3.0932
46	N	X	-2.7194
47	T	X	-2.2805
48	D	X	-2.6650
49	G	X	-2.1929
50	S	X	0.0000
51	T	X	-1.3978
52	D	X	0.0000
53	Y	X	0.0000
54	G	X	0.0000
55	I	X	0.0000
56	L	X	0.0000
57	Q	X	0.0000
58	I	X	0.0000
59	N	X	0.0000
60	S	X	0.0000
61	R	X	-1.6264
62	W	X	-0.4489
63	W	X	0.0000
64	C	X	0.0000
65	N	X	-1.9697
66	D	X	-1.9539
67	G	X	-1.8697
68	R	X	-2.4730
69	T	X	0.0000
70	P	X	-1.6569
71	G	X	-1.5241
72	S	X	0.0000
73	R	X	-2.1083
74	N	X	-1.1931
75	L	X	0.1899
76	C	X	0.0000
77	N	X	-1.2983
78	I	X	-0.7927
79	P	X	-0.9558
80	C	X	0.0000
81	S	X	-0.6387
82	A	X	-0.4438
83	L	X	0.0000
84	L	X	0.0000
85	S	X	-1.1938
86	S	X	-1.0158
87	D	X	-2.2006
88	I	X	0.0000
89	T	X	-1.0926
90	A	X	-0.8322
91	S	X	0.0000
92	V	X	0.0000
93	N	X	-1.8341
94	C	X	0.0000
95	A	X	0.0000
96	K	X	-1.8015
97	K	X	-2.1896
98	I	X	0.0000
99	V	X	0.0000
100	S	X	-2.1325
101	D	X	-2.7109
102	G	X	-1.9244
103	N	X	-2.0404
104	G	X	-1.2771
105	M	X	-0.3693
106	N	X	-0.4590
107	A	X	0.0000
108	W	X	0.0000
109	V	X	-0.0080
110	A	X	0.0000
111	W	X	0.0000
112	R	X	-2.2154
113	N	X	-2.8095
114	R	X	-3.0367
115	C	X	0.0000
116	K	X	-3.0813
117	G	X	-1.3628
118	T	X	-0.8416
119	D	X	0.0000
120	V	X	0.9043
121	Q	X	-0.8269
122	A	X	-0.7412
123	W	X	-0.4598
124	I	X	0.0000
125	R	X	-2.2293
126	G	X	-1.7210
127	C	X	-1.6282
128	R	X	-2.0053