Project name: SH3_R123Q

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	RA123Q
Energy difference between WT (input) and mutated protein (by FoldX)	0.333996 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: -3.103
• Maximal score value: 1.7964
• Average score: -0.8942
• Total score value: -50.9684

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	0.4984
86	L	A	0.8394
87	F	A	0.9006
88	V	A	0.4188
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	-2.6260
96	R	A	-2.9852
97	T	A	-2.6608
98	E	A	-3.1030
99	D	A	-3.0469
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.2069
103	F	A	0.0000
104	H	A	-2.7282
105	K	A	-2.4059
106	G	A	-1.4581
107	E	A	-1.3090
108	K	A	-0.5476
109	F	A	0.0000
110	Q	A	-0.2944
111	I	A	0.1822
112	L	A	0.4739
113	N	A	-0.8053
114	S	A	-1.1375
115	S	A	-1.5740
116	E	A	-2.5625
117	G	A	-2.1359
118	D	A	-2.4466
119	W	A	-1.1074
120	W	A	-0.9501
121	E	A	-0.9591
122	A	A	0.0000
123	Q	A	-0.9175	mutated: RA123Q
124	S	A	0.0000
125	L	A	0.2436
126	T	A	-0.3536
127	T	A	-0.6769
128	G	A	-1.0860
129	E	A	-1.9746
130	T	A	-1.3322
131	G	A	-1.3049
132	Y	A	-0.7476
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9229
136	N	A	-1.1504
137	Y	A	-0.1243
138	V	A	0.0000
139	A	A	0.4158
140	P	A	0.7663
141	V	A	1.7964