Project name: SH3_S102Q

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	SA102Q
Energy difference between WT (input) and mutated protein (by FoldX)	0.53061 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: -3.2637
• Maximal score value: 1.7964
• Average score: -1.0065
• Total score value: -57.3707

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	-2.7588
93	Y	A	-2.2895
94	E	A	-3.0969
95	A	A	-3.0621
96	R	A	-3.1550
97	T	A	-2.7887
98	E	A	-3.2324
99	D	A	-3.1602
100	D	A	0.0000
101	L	A	0.0000
102	Q	A	-3.2637	mutated: SA102Q
103	F	A	0.0000
104	H	A	-2.9498
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	-0.8883
114	S	A	-1.1799
115	S	A	-1.5966
116	E	A	-2.5603
117	G	A	-2.1347
118	D	A	-2.4456
119	W	A	-1.1053
120	W	A	-1.0569
121	E	A	-1.1536
122	A	A	0.0000
123	R	A	-1.5991
124	S	A	0.0000
125	L	A	0.1182
126	T	A	-0.4136
127	T	A	-0.7022
128	G	A	-1.1794
129	E	A	-2.0057
130	T	A	-1.6272
131	G	A	-1.5730
132	Y	A	-1.0107
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9214
136	N	A	-1.1508
137	Y	A	-0.1246
138	V	A	0.0000
139	A	A	0.4158
140	P	A	0.7757
141	V	A	1.7964