Project name: SH3_Y91M

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	YA91M
Energy difference between WT (input) and mutated protein (by FoldX)	-0.0121299 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: -3.1028
• Maximal score value: 1.7971
• Average score: -1.0005
• Total score value: -57.0301

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	0.5175
86	L	A	0.7937
87	F	A	0.9437
88	V	A	0.3789
89	A	A	0.0000
90	L	A	-0.3549
91	M	A	-1.2661	mutated: YA91M
92	D	A	-2.9015
93	Y	A	-2.1073
94	E	A	-2.7216
95	A	A	-2.6252
96	R	A	-2.9849
97	T	A	-2.6608
98	E	A	-3.1028
99	D	A	-3.0434
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.2051
103	F	A	0.0000
104	H	A	-2.8947
105	K	A	-2.6861
106	G	A	-1.5630
107	E	A	-1.3794
108	K	A	-0.6237
109	F	A	0.0000
110	Q	A	-0.5088
111	I	A	-0.0569
112	L	A	0.1429
113	N	A	-0.8883
114	S	A	-1.1800
115	S	A	-1.5966
116	E	A	-2.5603
117	G	A	-2.1348
118	D	A	-2.4458
119	W	A	-1.1069
120	W	A	-1.0570
121	E	A	-1.1536
122	A	A	0.0000
123	R	A	-1.7155
124	S	A	0.0000
125	L	A	0.0594
126	T	A	-0.4730
127	T	A	-0.8207
128	G	A	-1.3572
129	E	A	-2.2401
130	T	A	-1.6927
131	G	A	-1.4995
132	Y	A	-0.8682
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9265
136	N	A	-1.2113
137	Y	A	-0.2773
138	V	A	0.0000
139	A	A	0.4519
140	P	A	0.7763
141	V	A	1.7971