Project name: SH3_N113M

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	NA113M
Energy difference between WT (input) and mutated protein (by FoldX)	0.965719 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: -3.1035
• Maximal score value: 1.7964
• Average score: -0.8855
• Total score value: -50.474

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	0.9238
88	V	A	0.4313
89	A	A	0.0000
90	L	A	-0.1511
91	Y	A	-0.5748
92	D	A	-2.5599
93	Y	A	-1.9315
94	E	A	-2.6452
95	A	A	-2.6266
96	R	A	-2.9852
97	T	A	-2.6608
98	E	A	-3.1035
99	D	A	-3.0440
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.2067
103	F	A	0.0000
104	H	A	-2.7282
105	K	A	-2.4059
106	G	A	-1.4581
107	E	A	-1.3078
108	K	A	-0.6426
109	F	A	0.0000
110	Q	A	-0.3930
111	I	A	0.2363
112	L	A	0.6404
113	M	A	0.1310	mutated: NA113M
114	S	A	-0.6716
115	S	A	-1.2852
116	E	A	-2.3168
117	G	A	-1.9905
118	D	A	-2.3316
119	W	A	-0.9523
120	W	A	-0.7217
121	E	A	-0.7746
122	A	A	0.0000
123	R	A	-1.7146
124	S	A	0.0000
125	L	A	0.0592
126	T	A	-0.4730
127	T	A	-0.8207
128	G	A	-1.3572
129	E	A	-2.2401
130	T	A	-1.6921
131	G	A	-1.4990
132	Y	A	-0.7381
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9163
136	N	A	-1.1500
137	Y	A	-0.1241
138	V	A	0.0000
139	A	A	0.4158
140	P	A	0.7757
141	V	A	1.7964