Project name: SH3_S102W

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	SA102W
Energy difference between WT (input) and mutated protein (by FoldX)	0.335579 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: -2.9518
• Maximal score value: 1.7964
• Average score: -0.8526
• Total score value: -48.5977

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	-2.3273
93	Y	A	-1.5141
94	E	A	-2.1186
95	A	A	-2.1173
96	R	A	-2.7872
97	T	A	-2.5117
98	E	A	-2.9518
99	D	A	-2.9052
100	D	A	0.0000
101	L	A	0.0000
102	W	A	-0.8643	mutated: SA102W
103	F	A	0.0000
104	H	A	-2.4683
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	-0.5073
111	I	A	-0.0551
112	L	A	0.1449
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	-1.1503
122	A	A	0.0000
123	R	A	-1.5576
124	S	A	0.0000
125	L	A	0.1374
126	T	A	-0.3959
127	T	A	-0.6648
128	G	A	-1.1224
129	E	A	-1.6055
130	T	A	-1.3108
131	G	A	-1.2015
132	Y	A	-0.6987
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