Project name: 1JSF [mutate: IT56A] [mutate: FI57A] [mutate: FI57A]

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	FI57A
Energy difference between WT (input) and mutated protein (by FoldX)	3.65497 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                                                       (00:01:16)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:01:17)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:48)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:49)
[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                                                       (00:01:16)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:01:17)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:47)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:48)
[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                                                       (00:01:18)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:01:19)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:50)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:51)

• Minimal score value: -4.2695
• Maximal score value: 1.7201
• Average score: -1.0126
• Total score value: -131.6373

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	-1.8701
2	V	A	-0.0707
3	F	A	0.0000
4	E	A	-2.1421
5	R	A	-2.1295
6	C	A	-1.7866
7	E	A	-2.0638
8	L	A	0.0000
9	A	A	0.0000
10	R	A	-2.8335
11	T	A	0.0000
12	L	A	0.0000
13	K	A	-2.6925
14	R	A	-2.7521
15	L	A	-1.3870
16	G	A	-1.4375
17	M	A	0.0000
18	D	A	-2.2848
19	G	A	-1.7892
20	Y	A	-1.7438
21	R	A	-2.7682
22	G	A	-1.6693
23	I	A	0.0000
24	S	A	-1.3071
25	L	A	0.0000
26	A	A	0.0000
27	N	A	-1.2272
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	-1.2352
34	W	A	-0.6139
35	E	A	-0.6058
36	S	A	-0.7816
37	G	A	-0.7704
38	Y	A	0.0000
39	N	A	-1.2528
40	T	A	0.0000
41	R	A	-2.3132
42	A	A	-1.2371
43	T	A	-0.7679
44	N	A	-0.4050
45	Y	A	0.0428
46	N	A	-1.1221
47	A	A	-1.1777
48	G	A	-1.6561
49	D	A	-2.6664
50	R	A	-2.9407
51	S	A	0.0000
52	T	A	0.0000
53	D	A	-0.4429
54	Y	A	0.0000
55	G	A	0.0000
56	I	A	0.0000
57	I	A	0.0000	mutated: FI57A
58	Q	A	-0.6708
59	I	A	0.0000
60	N	A	-0.1641
61	S	A	0.0000
62	R	A	-0.2923
63	Y	A	1.6230
64	W	A	0.4972
65	C	A	0.0000
66	N	A	-1.0447
67	D	A	-1.5632
68	G	A	-1.7579
69	K	A	-2.5308
70	T	A	0.0000
71	P	A	-1.4193
72	G	A	-0.5666
73	A	A	0.3010
74	V	A	1.7201
75	N	A	0.3603
76	A	A	0.2944
77	C	A	-0.3831
78	H	A	-0.7807
79	L	A	-0.6363
80	S	A	-0.7697
81	C	A	0.0000
82	S	A	-0.6253
83	A	A	-0.7962
84	L	A	0.0000
85	L	A	-1.6688
86	Q	A	-2.4834
87	D	A	-3.1292
88	N	A	-2.5893
89	I	A	0.0000
90	A	A	-0.8475
91	D	A	-0.8958
92	A	A	0.0000
93	V	A	0.0000
94	A	A	-0.4959
95	C	A	0.0000
96	A	A	0.0000
97	K	A	-1.7558
98	R	A	-2.0864
99	V	A	0.0000
100	V	A	0.0000
101	R	A	-3.2821
102	D	A	-2.7131
103	P	A	-1.5473
104	Q	A	-1.5166
105	G	A	-2.0568
106	I	A	0.0000
107	R	A	-1.7301
108	A	A	-0.6478
109	W	A	0.0000
110	V	A	0.3364
111	A	A	-0.7414
112	W	A	-1.6145
113	R	A	-2.8907
114	N	A	-2.7625
115	R	A	-2.7404
116	C	A	0.0000
117	Q	A	-3.2394
118	N	A	-3.3837
119	R	A	-4.2695
120	D	A	-3.7430
121	V	A	-3.0886
122	R	A	-3.4302
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