Project name: SH3_T126F

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	TA126F
Energy difference between WT (input) and mutated protein (by FoldX)	-1.14108 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: -3.1042
• Maximal score value: 1.8468
• Average score: -0.8036
• Total score value: -45.8061

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	0.5161
86	L	A	0.8144
87	F	A	1.0229
88	V	A	0.6294
89	A	A	0.0000
90	L	A	-0.0419
91	Y	A	-0.5018
92	D	A	-2.4962
93	Y	A	-1.9353
94	E	A	-2.6500
95	A	A	-2.6306
96	R	A	-2.9870
97	T	A	-2.6622
98	E	A	-3.1042
99	D	A	-3.0446
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.2177
103	F	A	0.0000
104	H	A	-2.3692
105	K	A	-2.1990
106	G	A	-0.8669
107	E	A	0.0000
108	K	A	0.0906
109	F	A	0.0000
110	Q	A	-0.5040
111	I	A	-0.0392
112	L	A	0.1430
113	N	A	-0.8879
114	S	A	-1.1794
115	S	A	-1.5962
116	E	A	-2.5599
117	G	A	-2.1340
118	D	A	-2.4444
119	W	A	-1.1028
120	W	A	-1.0557
121	E	A	-1.1529
122	A	A	0.0000
123	R	A	-1.4418
124	S	A	0.0000
125	L	A	1.0187
126	F	A	1.5843	mutated: TA126F
127	T	A	0.1518
128	G	A	-0.8591
129	E	A	-1.9397
130	T	A	-1.7093
131	G	A	-1.5008
132	Y	A	-0.8688
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9206
136	N	A	-1.1504
137	Y	A	-0.1243
138	V	A	0.0000
139	A	A	0.4582
140	P	A	0.7955
141	V	A	1.8468