Project name: initial [mutate: VR11A] [mutate: RV11A]

Chain sequence(s)	A: GIPEFKQKALRAKVSQREEMVKKCLGELTEVCKSLGKVFGVHYFNIFNTVTLKKLAESLSSDPEVLLQIDGVTEDKLEKYGAEVISVLQKYSEWTSPAEDS
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	RV11A
Energy difference between WT (input) and mutated protein (by FoldX)	1.34699 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                                                       (00:00:53)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:59)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:52)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:53)

• Minimal score value: -3.7519
• Maximal score value: 2.0336
• Average score: -1.1053
• Total score value: -111.6374

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	G	A	0.2545
2	I	A	1.4476
3	P	A	0.1755
4	E	A	-1.4046
5	F	A	-0.2795
6	K	A	-1.8742
7	Q	A	-2.2446
8	K	A	-2.2308
9	A	A	-0.4081
10	L	A	1.1466
11	V	A	2.0336	mutated: RV11A
12	A	A	0.5549
13	K	A	-0.6954
14	V	A	0.1738
15	S	A	-1.1892
16	Q	A	-1.6821
17	R	A	-2.6492
18	E	A	-3.3670
19	E	A	-3.3302
20	M	A	0.0000
21	V	A	-3.0779
22	K	A	-3.6454
23	K	A	-2.9607
24	C	A	0.0000
25	L	A	-1.7327
26	G	A	-1.7679
27	E	A	-1.8785
28	L	A	0.0000
29	T	A	-1.4333
30	E	A	-2.5569
31	V	A	0.0000
32	C	A	0.0000
33	K	A	-2.0486
34	S	A	-1.4151
35	L	A	0.0000
36	G	A	0.0000
37	K	A	-1.0663
38	V	A	1.1103
39	F	A	0.9595
40	G	A	0.1503
41	V	A	0.1527
42	H	A	-0.5040
43	Y	A	-0.4926
44	F	A	1.0485
45	N	A	0.0446
46	I	A	0.0000
47	F	A	0.0000
48	N	A	-1.2204
49	T	A	-0.7043
50	V	A	-1.0588
51	T	A	0.0000
52	L	A	0.0000
53	K	A	-2.2258
54	K	A	-2.2693
55	L	A	0.0000
56	A	A	0.0000
57	E	A	-2.8996
58	S	A	-1.3931
59	L	A	0.0000
60	S	A	-0.9543
61	S	A	-1.1161
62	D	A	-1.0837
63	P	A	-1.6453
64	E	A	-2.1520
65	V	A	-0.9293
66	L	A	0.0000
67	L	A	-2.0214
68	Q	A	-2.0763
69	I	A	0.0000
70	D	A	-2.5863
71	G	A	-1.7486
72	V	A	0.0000
73	T	A	-2.6532
74	E	A	-3.7519
75	D	A	-3.7406
76	K	A	-2.7388
77	L	A	-2.8509
78	E	A	-3.6579
79	K	A	-2.9628
80	Y	A	0.0000
81	G	A	0.0000
82	A	A	-1.0960
83	E	A	-1.2790
84	V	A	0.0000
85	I	A	-0.5323
86	S	A	-0.6815
87	V	A	-0.8341
88	L	A	0.0000
89	Q	A	-1.8166
90	K	A	-1.6068
91	Y	A	0.0000
92	S	A	-1.3821
93	E	A	-2.5000
94	W	A	-0.7351
95	T	A	-0.6475
96	S	A	-0.7590
97	P	A	-1.0710
98	A	A	-1.9271
99	E	A	-3.1596
100	D	A	-2.9994
101	S	A	-1.4872