Project name: P.sativum1371 [mutate: VT53A, VT83A]

Chain sequence(s)	A: MGFTEKQEALVNSSWELFKQNPSYSVLFYTIILKKAPAAKGMFSFLKDSAEVVDSPKLQAHAEKVFGMVHDSAIQLRASGEVVLGDATLGAIHIQKGVVDPHFVVVKEALLETIKEASGEKWSEELSTAWEVAYEGLASAIKKAMN
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	VT83A,VT53A
Energy difference between WT (input) and mutated protein (by FoldX)	0.154142 kcal/mol

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                                                       (00:02:42)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:02:46)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:04:45)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:46)

• Minimal score value: -3.4669
• Maximal score value: 1.0366
• Average score: -1.0077
• Total score value: -147.1204

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	0.8143
2	G	A	-0.6071
3	F	A	-1.1001
4	T	A	-1.7210
5	E	A	-2.9586
6	K	A	-2.9742
7	Q	A	0.0000
8	E	A	-1.7859
9	A	A	-1.1608
10	L	A	-1.1758
11	V	A	0.0000
12	N	A	-1.1419
13	S	A	-1.0293
14	S	A	0.0000
15	W	A	0.0000
16	E	A	-2.6618
17	L	A	-1.8493
18	F	A	0.0000
19	K	A	-2.9666
20	Q	A	-2.5418
21	N	A	-1.8578
22	P	A	-1.5255
23	S	A	-0.8495
24	Y	A	-0.8781
25	S	A	0.0000
26	V	A	-0.2323
27	L	A	-0.0872
28	F	A	0.0000
29	Y	A	0.0000
30	T	A	-0.5538
31	I	A	-0.9488
32	I	A	0.0000
33	L	A	-1.3348
34	K	A	-2.2740
35	K	A	-2.1615
36	A	A	-1.2000
37	P	A	-1.1104
38	A	A	-0.5877
39	A	A	0.0000
40	K	A	-1.5024
41	G	A	-1.4730
42	M	A	-0.9901
43	F	A	0.0000
44	S	A	-1.3590
45	F	A	-1.4341
46	L	A	0.0000
47	K	A	-2.9304
48	D	A	-2.8978
49	S	A	-1.8868
50	A	A	-1.5028
51	E	A	-2.3042
52	V	A	-1.2785
53	T	A	-1.2074	mutated: VT53A
54	D	A	-2.1437
55	S	A	-1.5463
56	P	A	-1.5723
57	K	A	-2.3062
58	L	A	0.0000
59	Q	A	-2.0184
60	A	A	-1.6647
61	H	A	-1.6171
62	A	A	0.0000
63	E	A	-2.2878
64	K	A	-1.9675
65	V	A	-0.8030
66	F	A	0.0000
67	G	A	-1.3883
68	M	A	-0.8911
69	V	A	0.0000
70	H	A	-0.9569
71	D	A	-1.4828
72	S	A	0.0000
73	A	A	0.0000
74	I	A	-1.1050
75	Q	A	-1.3917
76	L	A	-1.5305
77	R	A	-2.5515
78	A	A	-1.2960
79	S	A	-1.3720
80	G	A	-1.7208
81	E	A	-2.2623
82	V	A	-1.4146
83	T	A	-0.7428	mutated: VT83A
84	L	A	-0.3528
85	G	A	-0.6779
86	D	A	-0.8477
87	A	A	-0.1948
88	T	A	0.0861
89	L	A	0.3310
90	G	A	0.0000
91	A	A	0.5662
92	I	A	0.9781
93	H	A	0.5731
94	I	A	0.9658
95	Q	A	-0.5747
96	K	A	-0.8855
97	G	A	-0.2708
98	V	A	0.0521
99	V	A	0.2781
100	D	A	-1.1703
101	P	A	-0.2028
102	H	A	-0.0521
103	F	A	0.0000
104	V	A	1.0366
105	V	A	0.0452
106	V	A	0.2146
107	K	A	-0.5198
108	E	A	-1.0350
109	A	A	0.0000
110	L	A	0.0000
111	L	A	-1.7071
112	E	A	-2.7791
113	T	A	0.0000
114	I	A	0.0000
115	K	A	-3.4669
116	E	A	-3.2649
117	A	A	0.0000
118	S	A	0.0000
119	G	A	-2.6388
120	E	A	-3.1440
121	K	A	-2.9448
122	W	A	-2.5412
123	S	A	-2.3073
124	E	A	-2.8123
125	E	A	-2.9115
126	L	A	0.0000
127	S	A	-1.7123
128	T	A	-1.1744
129	A	A	0.0000
130	W	A	0.0000
131	E	A	-1.1383
132	V	A	-0.1476
133	A	A	0.0000
134	Y	A	0.0000
135	E	A	-1.5891
136	G	A	-1.2216
137	L	A	0.0000
138	A	A	0.0000
139	S	A	-1.2519
140	A	A	0.0000
141	I	A	0.0000
142	K	A	-1.7247
143	K	A	-2.3732
144	A	A	-1.0849
145	M	A	-0.6274
146	N	A	-1.6387