Project name: tto [mutate: MP50A]

Chain sequence(s)	A: AYFEYRHLVTFADTNLVGNVYFTNYLLSWQGACAEERFLAEKAPKTVARMHDDLALVTSSCSCEFFSELYALDTVSVRMSLVGIDFHQITMMGFEYYRVTDGPARLVARGEQTVACTLRLTPVEVPDELRTALDAYAP
Selected Chain(s)	A
Distance of aggregation	5 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	MP50A
Energy difference between WT (input) and mutated protein (by FoldX)	6.33454 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             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       FoldX:    Building mutant model                                                       (00:01:54)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:02:06)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:02:58)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:59)

• Minimal score value: -2.0665
• Maximal score value: 1.9856
• Average score: -0.1379
• Total score value: -18.6154

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
3	A	A	0.2615
4	Y	A	1.0298
5	F	A	0.0000
6	E	A	-0.5818
7	Y	A	-0.2885
8	R	A	-1.8450
9	H	A	-0.2152
10	L	A	1.5152
11	V	A	0.0000
12	T	A	0.3261
13	F	A	1.9458
14	A	A	0.4138
15	D	A	0.0000
16	T	A	-0.0831
17	N	A	-0.0768
18	L	A	1.8031
19	V	A	1.9856
20	G	A	-0.0729
21	N	A	-0.1187
22	V	A	0.0000
23	Y	A	1.5349
24	F	A	1.8933
25	T	A	0.2083
26	N	A	-0.2348
27	Y	A	0.0000
28	L	A	0.2787
29	S	A	-0.1772
30	W	A	0.0000
31	Q	A	0.0000
32	G	A	-0.1979
33	A	A	-0.0230
34	C	A	0.0000
35	A	A	-0.3219
36	E	A	-2.0665
37	R	A	-1.7715
38	F	A	0.0000
39	L	A	-0.0181
40	A	A	-0.2499
41	E	A	-1.9900
42	K	A	-1.3219
43	A	A	0.0000
44	P	A	-0.5282
45	K	A	-1.7413
46	T	A	0.0000
47	V	A	0.3466
48	A	A	-0.3002
49	R	A	-1.3834
50	P	A	-0.4826	mutated: MP50A
51	H	A	-1.3350
52	D	A	-2.0499
53	D	A	-0.7573
54	L	A	0.0000
55	A	A	0.0885
56	L	A	0.5198
57	V	A	0.5597
58	T	A	0.0254
59	S	A	-0.2246
60	S	A	-0.1292
61	C	A	0.5166
62	S	A	-0.0769
63	C	A	-0.2694
64	E	A	-1.6918
65	F	A	0.5851
66	F	A	1.8670
67	S	A	0.0913
68	E	A	-0.9677
69	L	A	0.0000
70	Y	A	0.8539
71	A	A	0.4549
72	L	A	1.5011
73	D	A	0.0170
74	T	A	0.1291
75	V	A	0.0000
76	S	A	0.0000
77	V	A	0.0000
78	R	A	-0.3574
79	M	A	0.0000
80	S	A	0.0524
81	L	A	0.0000
82	V	A	1.7411
83	G	A	0.2662
84	I	A	0.2033
85	D	A	-1.3238
86	F	A	1.4923
87	H	A	-0.5736
88	Q	A	-0.5581
89	I	A	0.0000
90	T	A	-0.0302
91	M	A	0.0000
92	G	A	-0.2026
93	F	A	0.0000
94	E	A	-0.5954
95	Y	A	0.0000
96	Y	A	0.1829
97	R	A	-0.1733
98	V	A	0.2004
99	T	A	-0.3553
100	D	A	-1.8497
101	G	A	-0.6332
102	P	A	-0.2965
103	A	A	-0.3245
104	R	A	-1.7571
105	L	A	0.1253
106	V	A	0.0000
107	A	A	0.0000
108	R	A	-1.4778
109	G	A	-0.5069
110	E	A	-1.1616
111	Q	A	-0.2665
112	T	A	0.0058
113	V	A	0.2396
114	A	A	-0.0010
115	C	A	0.0000
116	T	A	0.0000
117	L	A	0.0082
118	R	A	-1.5816
123	L	A	1.2987
124	T	A	0.1666
125	P	A	-0.2122
126	V	A	-0.0458
127	E	A	-1.6568
128	V	A	0.0000
129	P	A	-0.3818
130	D	A	-1.8359
131	E	A	-0.5307
132	L	A	0.0000
133	R	A	-0.5666
134	T	A	-0.1719
135	A	A	-0.0066
136	L	A	0.0000
137	D	A	-1.7767
138	A	A	-0.2473
139	Y	A	0.1487
140	A	A	-0.1968
141	P	A	-0.2516