Project name: Ras-GDP test [mutate: KA5C, KA42C]

Chain sequence(s)	A: MTEYKLVVVGAGGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETCLLDILDTAGQEEYSAMRDQYMRTGEGFLCVFAINNTKSFEDIHQYREQIKRVKDSDDVPMVLVGNKCDLAARTVESRQAQDLARSYGIPYIETSAKTRQGVEDAFYTLVREIRQHKLRKL
Distance of aggregation	5 Å
Dynamic mode	No
Mutated residues	KA5C, KA42C
Energy difference between WT (input) and mutated protein (by FoldX)	0.279672 kcal/mol Changes in protein stability upon mutation are calculated using the FoldX forcefield. Computational prediction of protein stability is used with the intention of preventing the experimental characterization of proteins bearing mutations that significantly destabilize their structure. Mutations resulting in a predicted reduction in protein stability ≥ 1 kcal/mol are considered disruptive.

• Minimal score value: -2.3697
• Maximal score value: 1.3218
• Average score: -0.5028
• Total score value: -85.9741

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	1.0430
2	T	A	-0.2002
3	E	A	-1.8303
4	Y	A	0.0000
5	C	A	0.0124	mutated: KA5C
6	L	A	0.0000
7	V	A	0.0000
8	V	A	0.0000
9	V	A	0.0000
10	G	A	0.0000
11	A	A	-0.0542
12	G	A	-0.4336
13	G	A	-0.5304
14	V	A	0.0000
15	G	A	-0.0840
16	K	A	0.0000
17	S	A	-0.0244
18	A	A	0.0015
19	L	A	0.0000
20	T	A	0.0000
21	I	A	0.0000
22	Q	A	0.0000
23	L	A	0.0000
24	I	A	0.0000
25	Q	A	-1.0470
26	N	A	-1.2268
27	H	A	-1.0499
28	F	A	0.4305
29	V	A	0.0642
30	D	A	-2.0741
31	E	A	-2.0854
32	Y	A	-0.2943
33	D	A	-1.7697
34	P	A	-0.5930
35	T	A	0.1728
36	I	A	1.3218
37	E	A	-0.9903
38	D	A	-1.9731
39	S	A	-0.3698
40	Y	A	-0.2052
41	R	A	-1.8142
42	C	A	-0.2630	mutated: KA42C
43	Q	A	-0.6568
44	V	A	0.0000
45	V	A	1.1184
46	I	A	0.0000
47	D	A	-1.8748
48	G	A	-1.1258
49	E	A	-1.7775
50	T	A	-0.1039
51	C	A	0.0000
52	L	A	0.0000
53	L	A	0.0000
54	D	A	-0.4828
55	I	A	0.0000
56	L	A	0.0000
57	D	A	0.0000
58	T	A	0.0000
59	A	A	0.0022
60	G	A	-0.2767
61	Q	A	-1.5413
62	E	A	-2.3697
63	E	A	-2.0560
64	Y	A	0.1846
65	S	A	0.0000
66	A	A	0.0428
67	M	A	0.1175
68	R	A	0.0000
69	D	A	-1.4163
70	Q	A	-1.2700
71	Y	A	0.5881
72	M	A	0.0000
73	R	A	-1.8570
74	T	A	-0.4075
75	G	A	0.0000
76	E	A	-0.4890
77	G	A	0.0000
78	F	A	0.0000
79	L	A	0.0000
80	C	A	0.0000
81	V	A	0.0000
82	F	A	0.0000
83	A	A	0.0000
84	I	A	0.0000
85	N	A	-0.4845
86	N	A	-0.3936
87	T	A	-0.4154
88	K	A	-1.7075
89	S	A	0.0000
90	F	A	0.0000
91	E	A	-1.9269
92	D	A	-0.9161
93	I	A	0.0000
94	H	A	-0.6435
95	Q	A	-0.9879
96	Y	A	0.0000
97	R	A	0.0000
98	E	A	-1.4494
99	Q	A	-0.4504
100	I	A	0.0000
101	K	A	-1.1989
102	R	A	-1.9268
103	V	A	-0.2301
104	K	A	-0.7952
105	D	A	-1.9153
106	S	A	-0.8309
107	D	A	-1.8378
108	D	A	-2.0087
109	V	A	-0.1539
110	P	A	-0.0144
111	M	A	0.0000
112	V	A	0.0000
113	L	A	0.0000
114	V	A	0.0000
115	G	A	0.0000
116	N	A	0.0000
117	K	A	-1.4527
118	C	A	-0.4246
119	D	A	-1.4760
120	L	A	1.2326
121	A	A	0.3526
122	A	A	-0.1846
123	R	A	-1.4391
124	T	A	-0.3537
125	V	A	0.0000
126	E	A	-1.9354
127	S	A	-0.7479
128	R	A	-2.0372
129	Q	A	-1.7028
130	A	A	0.0000
131	Q	A	-0.9915
132	D	A	-1.9752
133	L	A	-0.1043
134	A	A	0.0000
135	R	A	-1.9432
136	S	A	-0.5223
137	Y	A	0.0000
138	G	A	-0.7046
139	I	A	0.0000
140	P	A	-0.0309
141	Y	A	0.4924
142	I	A	0.1856
143	E	A	-1.4014
144	T	A	0.0000
145	S	A	0.0000
146	A	A	0.0000
147	K	A	-1.7076
148	T	A	-0.5731
149	R	A	-1.4487
150	Q	A	-1.4307
151	G	A	-0.2681
152	V	A	0.0000
153	E	A	-1.0813
154	D	A	-1.7304
155	A	A	0.0000
156	F	A	0.0000
157	Y	A	-0.0329
158	T	A	0.0000
159	L	A	0.0000
160	V	A	0.0000
161	R	A	-1.4195
162	E	A	-1.1638
163	I	A	0.0000
164	R	A	-0.7832
165	Q	A	-0.8856
166	H	A	-1.4071
167	K	A	-1.6017
168	L	A	0.9077
169	R	A	-1.8686
170	K	A	-1.7481
171	L	A	1.2382