Project name: c33004d113134dd [mutate: VT52A, LG53A]

Chain sequence(s)	A: MRFPSIFTAVLFAASSALAAPVNTTTEDETAQIPAEAVIGYSDLEGDFDVAVLPFSNSTNNGLLFINTTIASIAAKEEGVSLEKREEAEAEAEPK
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	LG53A,VT52A
Energy difference between WT (input) and mutated protein (by FoldX)	4.10098 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                                        (00:00:40)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:07)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:08)

• Minimal score value: -4.7134
• Maximal score value: 4.072
• Average score: -0.2204
• Total score value: -20.9409

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	M	A	0.5172
2	R	A	-0.2793
3	F	A	1.4965
4	P	A	1.3326
5	S	A	1.4308
6	I	A	2.8811
7	F	A	3.8116
8	T	A	3.0247
9	A	A	2.9956
10	V	A	4.0720
11	L	A	3.9694
12	F	A	3.7542
13	A	A	2.4540
14	A	A	2.0379
15	S	A	1.7654
16	S	A	1.1923
17	A	A	1.1076
18	L	A	1.6740
19	A	A	0.9658
20	A	A	0.7361
21	P	A	0.4805
22	V	A	1.0267
23	N	A	-0.5435
24	T	A	-1.0615
25	T	A	-1.1788
26	T	A	-2.2577
27	E	A	-3.2480
28	D	A	-3.5868
29	E	A	-3.5053
30	T	A	-1.8969
31	A	A	-1.0820
32	Q	A	-0.7349
33	I	A	1.2071
34	P	A	0.4441
35	A	A	0.4755
36	E	A	-0.3642
37	A	A	0.9886
38	V	A	2.4951
39	I	A	1.8290
40	G	A	0.3597
41	Y	A	1.4958
42	S	A	0.2677
43	D	A	-1.7066
44	L	A	-1.3578
45	E	A	-2.6625
46	G	A	-1.7712
47	D	A	-1.7844
48	F	A	0.5364
49	D	A	0.4832
50	V	A	0.8596
51	A	A	1.1848
52	T	A	1.6693	mutated: VT52A
53	G	A	1.4901	mutated: LG53A
54	P	A	1.0779
55	F	A	0.7203
56	S	A	-1.1106
57	N	A	-1.9942
58	S	A	-1.4470
59	T	A	-1.4902
60	N	A	-2.3009
61	N	A	-1.7103
62	G	A	0.2341
63	L	A	2.5321
64	L	A	3.1185
65	F	A	2.9674
66	I	A	2.1958
67	N	A	1.0278
68	T	A	1.2359
69	T	A	1.3735
70	I	A	2.4163
71	A	A	1.0142
72	S	A	0.4051
73	I	A	0.9927
74	A	A	-0.1790
75	A	A	-1.0928
76	K	A	-2.3873
77	E	A	-2.4158
78	E	A	-2.6328
79	G	A	-1.8216
80	V	A	-1.6666
81	S	A	-1.3227
82	L	A	-1.1867
83	E	A	-3.1320
84	K	A	-3.7783
85	R	A	-3.6823
86	E	A	-4.6017
87	E	A	-4.7134
88	A	A	-3.8603
89	E	A	-4.3349
90	A	A	-3.6433
91	E	A	-3.9759
92	A	A	-3.0716
93	E	A	-3.3419
94	P	A	-2.3030
95	K	A	-2.5460