Project name: 1JSF [mutate: LS84A]

Chain sequence(s)	A: KVFERCELARTLKRLGMDGYRGISLANWMCLAKWESGYNTRATNYNAGDRSTDYGIFQINSRYWCNDGKTPGAVNACHLSCSALLQDNIADAVACAKRVVRDPQGIRAWVAWRNRCQNRDVRQYVQGCGV
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	LS84A
Energy difference between WT (input) and mutated protein (by FoldX)	3.80004 kcal/mol CAUTION: Your mutation/s can destabilize the protein structure

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]       FoldX:    Building mutant model                                                       (00:00:33)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:35)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:07)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:08)

• Minimal score value: -4.2649
• Maximal score value: 1.7178
• Average score: -1.0129
• Total score value: -131.6729

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	-1.8507
2	V	A	-0.0615
3	F	A	0.0000
4	E	A	-2.1397
5	R	A	-2.1298
6	C	A	-1.7866
7	E	A	-2.0638
8	L	A	0.0000
9	A	A	0.0000
10	R	A	-2.8341
11	T	A	0.0000
12	L	A	0.0000
13	K	A	-2.6947
14	R	A	-2.7548
15	L	A	-1.3922
16	G	A	-1.4420
17	M	A	0.0000
18	D	A	-2.2864
19	G	A	-1.7900
20	Y	A	-1.7450
21	R	A	-2.7683
22	G	A	-1.6696
23	I	A	0.0000
24	S	A	-1.3084
25	L	A	0.0000
26	A	A	0.0000
27	N	A	-1.2242
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	-1.2385
34	W	A	-0.6162
35	E	A	-0.5979
36	S	A	-0.7747
37	G	A	-0.7664
38	Y	A	0.0000
39	N	A	-1.2453
40	T	A	0.0000
41	R	A	-2.3058
42	A	A	-1.2273
43	T	A	-0.7551
44	N	A	-0.3802
45	Y	A	0.0542
46	N	A	-1.1166
47	A	A	-1.1775
48	G	A	-1.6624
49	D	A	-2.6810
50	R	A	-2.9459
51	S	A	0.0000
52	T	A	0.0000
53	D	A	-0.4351
54	Y	A	0.0000
55	G	A	0.0000
56	I	A	0.0000
57	F	A	0.0000
58	Q	A	-0.6670
59	I	A	0.0000
60	N	A	-0.1635
61	S	A	0.0000
62	R	A	-0.2955
63	Y	A	1.6205
64	W	A	0.4910
65	C	A	0.0000
66	N	A	-1.0515
67	D	A	-1.5647
68	G	A	-1.7547
69	K	A	-2.5224
70	T	A	0.0000
71	P	A	-1.4199
72	G	A	-0.5678
73	A	A	0.3008
74	V	A	1.7178
75	N	A	0.3510
76	A	A	0.2886
77	C	A	-0.4009
78	H	A	-0.7938
79	L	A	-0.6670
80	S	A	-0.7886
81	C	A	0.0000
82	S	A	-0.6259
83	A	A	-0.8106
84	S	A	0.0000	mutated: LS84A
85	L	A	-1.6626
86	Q	A	-2.4801
87	D	A	-3.1193
88	N	A	-2.5933
89	I	A	0.0000
90	A	A	-0.8725
91	D	A	-0.9514
92	A	A	0.0000
93	V	A	0.0000
94	A	A	-0.5188
95	C	A	0.0000
96	A	A	0.0000
97	K	A	-1.7619
98	R	A	-2.0822
99	V	A	0.0000
100	V	A	0.0000
101	R	A	-3.2782
102	D	A	-2.7064
103	P	A	-1.5439
104	Q	A	-1.5129
105	G	A	-2.0526
106	I	A	0.0000
107	R	A	-1.7169
108	A	A	-0.6426
109	W	A	0.0000
110	V	A	0.3410
111	A	A	-0.7405
112	W	A	-1.6095
113	R	A	-2.8788
114	N	A	-2.7648
115	R	A	-2.7577
116	C	A	0.0000
117	Q	A	-3.2159
118	N	A	-3.3732
119	R	A	-4.2649
120	D	A	-3.7391
121	V	A	-3.0881
122	R	A	-3.4303
123	Q	A	-2.8317
124	Y	A	0.0000
125	V	A	0.0000
126	Q	A	-2.2603
127	G	A	-1.2421
128	C	A	0.0000
129	G	A	-0.7150
130	V	A	-0.4688