Project name: SH3_T97C

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	TA97C
Energy difference between WT (input) and mutated protein (by FoldX)	0.751119 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: -2.8757
• Maximal score value: 1.7964
• Average score: -0.9344
• Total score value: -53.2634

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	-2.5838
95	A	A	-2.4761
96	R	A	-2.7354
97	C	A	-2.1440	mutated: TA97C
98	E	A	-2.8504
99	D	A	-2.8757
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.1463
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	-0.5091
111	I	A	-0.0572
112	L	A	0.1426
113	N	A	-0.8881
114	S	A	-1.1793
115	S	A	-1.5957
116	E	A	-2.5591
117	G	A	-2.1323
118	D	A	-2.4441
119	W	A	-1.1034
120	W	A	-1.0565
121	E	A	-1.1543
122	A	A	0.0000
123	R	A	-1.7160
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	-1.6934
131	G	A	-1.5009
132	Y	A	-0.8708
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9210
136	N	A	-1.1505
137	Y	A	-0.1244
138	V	A	0.0000
139	A	A	0.4158
140	P	A	0.7757
141	V	A	1.7964