Project name: 1REX [mutate: TN70A, WR112A]

Chain sequence(s)	A: KVFERCELARTLKRLGMDGYRGISLANWMCLAKWESGYNTRATNYNAGDRSTDYGIFQINSRYWCNDGKTPGAVNACHLSCSALLQDNIADAVACAKRVVRDPQGIRAWVAWRNRCQNRDVRQYVQGCGV
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	WR112A,TN70A
Energy difference between WT (input) and mutated protein (by FoldX)	7.15588 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                                                       (00:00:24)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:32)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:57)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:58)

• Minimal score value: -4.2812
• Maximal score value: 1.52
• Average score: -1.0746
• Total score value: -139.7033

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	K	A	-2.4735
2	V	A	-0.2995
3	F	A	0.0000
4	E	A	-2.1353
5	R	A	-1.8508
6	C	A	-1.5052
7	E	A	-1.8595
8	L	A	0.0000
9	A	A	0.0000
10	R	A	-2.2254
11	T	A	-1.6908
12	L	A	0.0000
13	K	A	-2.3937
14	R	A	-2.5707
15	L	A	-1.2856
16	G	A	-1.4544
17	M	A	0.0000
18	D	A	-2.2050
19	G	A	-1.7706
20	Y	A	-1.7433
21	R	A	-2.6562
22	G	A	-1.6577
23	I	A	0.0000
24	S	A	-1.2829
25	L	A	0.0000
26	A	A	-1.1869
27	N	A	-1.1468
28	W	A	0.0000
29	M	A	0.0000
30	C	A	0.0000
31	L	A	0.0000
32	A	A	0.0000
33	K	A	-1.0577
34	W	A	-0.5810
35	E	A	-0.2847
36	S	A	-0.7214
37	G	A	-0.5973
38	Y	A	0.0000
39	N	A	-1.3310
40	T	A	0.0000
41	R	A	-2.5328
42	A	A	-1.3738
43	T	A	-1.0144
44	N	A	-0.8723
45	Y	A	-0.2514
46	N	A	-1.3076
47	A	A	-1.2577
48	G	A	-1.6784
49	D	A	-2.6845
50	R	A	-2.8820
51	S	A	0.0000
52	T	A	0.0000
53	D	A	-0.6715
54	Y	A	0.0000
55	G	A	0.0000
56	I	A	0.0000
57	F	A	0.0000
58	Q	A	0.0000
59	I	A	0.0000
60	N	A	-0.4634
61	S	A	0.0000
62	R	A	-0.6376
63	Y	A	1.1063
64	W	A	0.2359
65	C	A	0.0000
66	N	A	-1.0792
67	D	A	-1.4588
68	G	A	-1.5934
69	K	A	-2.1927
70	N	A	0.0000	mutated: TN70A
71	P	A	-1.3277
72	G	A	-0.2694
73	A	A	0.1105
74	V	A	1.5200
75	N	A	0.1644
76	A	A	0.1912
77	C	A	-0.4348
78	H	A	-0.8034
79	L	A	-0.7284
80	S	A	-0.8147
81	C	A	0.0000
82	S	A	-0.7217
83	A	A	-1.0249
84	L	A	0.0000
85	L	A	-2.0273
86	Q	A	-3.1352
87	D	A	-3.5417
88	N	A	-2.8960
89	I	A	0.0000
90	A	A	-1.0979
91	D	A	-1.3483
92	A	A	0.0000
93	V	A	0.0000
94	A	A	-0.5634
95	C	A	0.0000
96	A	A	0.0000
97	K	A	-1.6227
98	R	A	-1.7311
99	V	A	0.0000
100	V	A	0.0000
101	R	A	-3.0448
102	D	A	-2.2129
103	P	A	-1.4739
104	Q	A	-1.6509
105	G	A	-2.0897
106	I	A	0.0000
107	R	A	-2.0348
108	A	A	-0.8193
109	W	A	0.0000
110	V	A	0.1586
111	A	A	-0.9413
112	R	A	-2.0163	mutated: WR112A
113	R	A	-3.2199
114	N	A	-3.0136
115	R	A	-3.2669
116	C	A	0.0000
117	Q	A	-3.2734
118	N	A	-3.3898
119	R	A	-4.2812
120	D	A	-3.8781
121	V	A	-3.0433
122	R	A	-3.3748
123	Q	A	-2.7832
124	Y	A	0.0000
125	V	A	-1.4403
126	Q	A	-2.1309
127	G	A	-1.1576
128	C	A	0.0000
129	G	A	-0.4735
130	V	A	-0.1728