Project name: SH3_R123T

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	RA123T
Energy difference between WT (input) and mutated protein (by FoldX)	0.0236177 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: 1.795
• Average score: -0.8899
• Total score value: -50.7238

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	0.4503
86	L	A	0.7910
87	F	A	0.8410
88	V	A	0.3855
89	A	A	0.0000
90	L	A	-0.1516
91	Y	A	-0.5748
92	D	A	-2.5599
93	Y	A	-1.9315
94	E	A	-2.6452
95	A	A	-2.6259
96	R	A	-2.9852
97	T	A	-2.6608
98	E	A	-3.1028
99	D	A	-3.0459
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.2081
103	F	A	0.0000
104	H	A	-2.7287
105	K	A	-2.4065
106	G	A	-1.4592
107	E	A	-1.3134
108	K	A	-0.5481
109	F	A	0.0000
110	Q	A	-0.4084
111	I	A	0.1972
112	L	A	0.5616
113	N	A	-0.7927
114	S	A	-1.1180
115	S	A	-1.5641
116	E	A	-2.5595
117	G	A	-2.1337
118	D	A	-2.4441
119	W	A	-1.1021
120	W	A	-0.9088
121	E	A	-0.8720
122	A	A	0.0000
123	T	A	-0.6678	mutated: RA123T
124	S	A	0.0000
125	L	A	0.2144
126	T	A	-0.3612
127	T	A	-0.7212
128	G	A	-1.2039
129	E	A	-1.9608
130	T	A	-1.2438
131	G	A	-1.2305
132	Y	A	-0.6816
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9200
136	N	A	-1.1504
137	Y	A	-0.1243
138	V	A	0.0000
139	A	A	0.4150
140	P	A	0.7417
141	V	A	1.7950