Project name: SH3_T97W

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	TA97W
Energy difference between WT (input) and mutated protein (by FoldX)	0.969236 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: -2.7282
• Maximal score value: 1.7964
• Average score: -0.8985
• Total score value: -51.2119

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	-2.4957
95	A	A	-2.2609
96	R	A	-2.3774
97	W	A	-1.4030	mutated: TA97W
98	E	A	-2.4882
99	D	A	-2.6345
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.0604
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	-0.5090
111	I	A	-0.0572
112	L	A	0.1425
113	N	A	-0.8895
114	S	A	-1.1815
115	S	A	-1.5978
116	E	A	-2.5623
117	G	A	-2.1385
118	D	A	-2.4488
119	W	A	-1.1099
120	W	A	-1.0598
121	E	A	-1.1564
122	A	A	0.0000
123	R	A	-1.7162
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	-1.6939
131	G	A	-1.5024
132	Y	A	-0.8742
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9230
136	N	A	-1.1510
137	Y	A	-0.1248
138	V	A	0.0000
139	A	A	0.4159
140	P	A	0.7757
141	V	A	1.7964