Project name: ttr [mutate: GV67A]

Chain sequence(s)	A: GPTGTGESKCPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPMHEHAEVVFTANDSGPRRYTIAAMLSPYSYSTMAVVTNPKE
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	GV67A
Energy difference between WT (input) and mutated protein (by FoldX)	6.81674 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                                                       (00:00:58)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:01:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:32)
[CRITICAL]   pyMol:    Pymol encountered an error: /bin/sh: pymol: command not found Movie         
                       creation failed.                                                            (00:01:32)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:33)

• Minimal score value: -3.6695
• Maximal score value: 2.1563
• Average score: -0.9126
• Total score value: -115.8988

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	-0.7072
2	P	A	-0.5994
3	T	A	-0.2367
4	G	A	-1.0230
5	T	A	-0.9794
6	G	A	-1.5678
7	E	A	-2.7124
8	S	A	-2.2407
9	K	A	-2.6555
10	C	A	0.0000
11	P	A	-1.6047
12	L	A	-0.4389
13	M	A	0.0000
14	V	A	0.0000
15	K	A	-0.5592
16	V	A	0.0000
17	L	A	-0.1948
18	D	A	0.0000
19	A	A	-0.0134
20	V	A	-0.1357
21	R	A	-1.6912
22	G	A	-1.1203
23	S	A	-0.9334
24	P	A	-0.9587
25	A	A	0.0000
26	I	A	-0.6210
27	N	A	-1.5716
28	V	A	0.0000
29	A	A	-1.1761
30	V	A	0.0000
31	H	A	-0.9957
32	V	A	0.0000
33	F	A	-0.3634
34	R	A	-0.7390
35	K	A	-1.4921
36	A	A	-1.6164
37	A	A	-1.6354
38	D	A	-2.8275
39	D	A	-2.9093
40	T	A	-1.8448
41	W	A	-1.1898
42	E	A	-1.7423
43	P	A	-0.8239
44	F	A	-0.3895
45	A	A	-0.2385
46	S	A	-0.6701
47	G	A	-1.0685
48	K	A	-1.6431
49	T	A	0.0000
50	S	A	-1.5583
51	E	A	-1.9749
52	S	A	-1.2124
53	G	A	0.0000
54	E	A	-1.4254
55	L	A	0.0000
56	H	A	-1.4384
57	G	A	-0.9398
58	L	A	-0.4599
59	T	A	-1.3159
60	T	A	-2.2566
61	E	A	-3.3440
62	E	A	-3.3479
63	E	A	-3.0733
64	F	A	-1.7016
65	V	A	-1.1888
66	E	A	-2.1697
67	V	A	-0.9080	mutated: GV67A
68	I	A	0.1095
69	Y	A	0.0000
70	K	A	-0.0936
71	V	A	0.0000
72	E	A	-1.3624
73	I	A	0.0000
74	D	A	-2.0990
75	T	A	-1.7171
76	K	A	-2.1983
77	S	A	-1.4099
78	Y	A	0.0000
79	W	A	0.0000
80	K	A	-1.5854
81	A	A	-0.2647
82	L	A	0.8176
83	G	A	-0.4100
84	I	A	-0.0392
85	S	A	-0.1465
86	P	A	-1.0399
87	M	A	-0.0683
88	H	A	-1.8365
89	E	A	-3.1061
90	H	A	-2.9027
91	A	A	-2.0903
92	E	A	-2.0597
93	V	A	0.1354
94	V	A	1.0409
95	F	A	1.1958
96	T	A	-0.2793
97	A	A	-1.4985
98	N	A	-3.1124
99	D	A	-3.6695
100	S	A	-2.7854
101	G	A	-2.2640
102	P	A	-1.9158
103	R	A	-2.8442
104	R	A	-2.9300
105	Y	A	-0.9467
106	T	A	-0.3391
107	I	A	0.0000
108	A	A	0.4612
109	A	A	0.0000
110	M	A	0.4697
111	L	A	0.0000
112	S	A	0.5956
113	P	A	0.7161
114	Y	A	1.5774
115	S	A	1.1023
116	Y	A	1.4366
117	S	A	0.7425
118	T	A	0.5665
119	M	A	1.0300
120	A	A	1.2003
121	V	A	2.1563
122	V	A	1.0079
123	T	A	-0.1055
124	N	A	-2.0551
125	P	A	-2.4114
126	K	A	-3.4329
127	E	A	-2.9957