Project name: mut_MPZ_01 [mutate: DV105A]

Chain sequence(s)	A: IVVYTDREVHGAVGSRVTLHHCSFWSSEWVSDDISFTWRYQPEGGRDAISIFHYAKGQPYIDEVGTFKERIQWVGDPRWKDGSIVIHNLDYSDNGTFTCDVKNPPDIVGKTSQVTLYVFEKV
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	DV105A
Energy difference between WT (input) and mutated protein (by FoldX)	1.56102 kcal/mol CAUTION: Your mutation/s can destabilize the protein structure

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[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                                                       (00:01:56)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:02:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:02:58)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:59)

• Minimal score value: -3.6778
• Maximal score value: 3.0778
• Average score: -0.6946
• Total score value: -84.046

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	I	A	1.9328
2	V	A	1.8823
3	V	A	1.0332
4	Y	A	0.3211
5	T	A	-1.5362
6	D	A	-3.2763
7	R	A	-3.6778
8	E	A	-3.1663
9	V	A	-1.6110
10	H	A	-0.6175
11	G	A	0.0000
12	A	A	-0.8372
13	V	A	-1.1203
14	G	A	-1.7462
15	S	A	-1.8810
16	R	A	-2.5283
17	V	A	-1.1506
18	T	A	-0.7226
19	L	A	0.0000
20	H	A	-1.0790
21	C	A	0.0000
22	S	A	0.4666
23	F	A	0.0000
24	W	A	1.9640
25	S	A	1.0085
26	S	A	-0.1154
27	E	A	-0.8467
28	W	A	0.3033
29	V	A	-0.0236
30	S	A	-1.2641
31	D	A	-2.9197
32	D	A	-2.6717
33	I	A	0.0000
34	S	A	-1.4439
35	F	A	0.0000
36	T	A	0.0000
37	W	A	0.0000
38	R	A	-1.1440
39	Y	A	0.0000
40	Q	A	-2.0897
41	P	A	-2.0248
42	E	A	-2.5058
43	G	A	-2.1682
44	G	A	-2.5509
45	R	A	-3.2134
46	D	A	-2.8402
47	A	A	-1.4440
48	I	A	-0.5217
49	S	A	-0.4617
50	I	A	0.0000
51	F	A	0.0000
52	H	A	-0.2513
53	Y	A	0.0000
54	A	A	-1.7117
55	K	A	-2.7371
56	G	A	-2.4047
57	Q	A	-1.6500
58	P	A	-0.4047
59	Y	A	0.5504
60	I	A	0.1462
61	D	A	-1.0239
62	E	A	-1.7643
63	V	A	0.1693
64	G	A	-0.3190
65	T	A	-0.5751
66	F	A	0.0000
67	K	A	-2.1273
68	E	A	-2.7881
69	R	A	-2.2798
70	I	A	-1.3278
71	Q	A	-0.5794
72	W	A	0.4220
73	V	A	0.5485
74	G	A	-0.1417
75	D	A	-0.7911
76	P	A	-1.8651
77	R	A	-2.1546
78	W	A	-0.1948
79	K	A	-0.7054
80	D	A	-0.3002
81	G	A	0.0000
82	S	A	0.0000
83	I	A	0.0000
84	V	A	0.0000
85	I	A	0.0000
86	H	A	-2.1882
87	N	A	-2.5525
88	L	A	0.0000
89	D	A	-1.2780
90	Y	A	0.5942
91	S	A	-0.1805
92	D	A	0.0000
93	N	A	-0.4792
94	G	A	0.0000
95	T	A	-1.5727
96	F	A	0.0000
97	T	A	-1.0528
98	C	A	0.0000
99	D	A	-0.9928
100	V	A	0.0000
101	K	A	-0.1863
102	N	A	-0.5212
103	P	A	-0.2933
104	P	A	0.4692
105	V	A	2.1998	mutated: DV105A
106	I	A	3.0778
107	V	A	2.4003
108	G	A	0.4720
109	K	A	-0.8703
110	T	A	-0.8165
111	S	A	-1.1270
112	Q	A	-2.2098
113	V	A	0.0000
114	T	A	-1.8685
115	L	A	0.0000
116	Y	A	0.2541
117	V	A	0.0000
118	F	A	-0.0804
119	E	A	-1.7699
120	K	A	-1.5364
121	V	A	0.6116