Project name: SH3_A95R

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	AA95R
Energy difference between WT (input) and mutated protein (by FoldX)	0.646563 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: -3.8869
• Maximal score value: 1.7964
• Average score: -1.0281
• Total score value: -58.6008

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
85	T	A	0.5173
86	L	A	0.7932
87	F	A	0.9242
88	V	A	0.4320
89	A	A	0.0000
90	L	A	-0.1508
91	Y	A	-0.5745
92	D	A	-2.6805
93	Y	A	-2.2362
94	E	A	-3.2556
95	R	A	-3.8869	mutated: AA95R
96	R	A	-3.6115
97	T	A	-3.0267
98	E	A	-3.3401
99	D	A	-3.2529
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.6376
103	F	A	0.0000
104	H	A	-2.7160
105	K	A	-2.4052
106	G	A	-1.4570
107	E	A	-1.3055
108	K	A	-0.6415
109	F	A	0.0000
110	Q	A	-0.5091
111	I	A	-0.0568
112	L	A	0.1429
113	N	A	-0.8879
114	S	A	-1.1794
115	S	A	-1.5962
116	E	A	-2.5599
117	G	A	-2.1340
118	D	A	-2.4444
119	W	A	-1.1028
120	W	A	-1.0557
121	E	A	-1.1530
122	A	A	0.0000
123	R	A	-1.6608
124	S	A	0.0000
125	L	A	0.0871
126	T	A	-0.4448
127	T	A	-0.7649
128	G	A	-1.2737
129	E	A	-2.0618
130	T	A	-1.6023
131	G	A	-1.5963
132	Y	A	-1.0278
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9206
136	N	A	-1.1504
137	Y	A	-0.1243
138	V	A	0.0000
139	A	A	0.4158
140	P	A	0.7757
141	V	A	1.7964