Project name: SH3_T127I

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	TA127I
Energy difference between WT (input) and mutated protein (by FoldX)	0.360599 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: -3.0721
• Maximal score value: 1.7964
• Average score: -0.8596
• Total score value: -48.9963

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	0.9308
88	V	A	0.4456
89	A	A	0.0000
90	L	A	-0.1443
91	Y	A	-0.5690
92	D	A	-2.5537
93	Y	A	-1.9070
94	E	A	-2.6155
95	A	A	-2.5760
96	R	A	-2.9619
97	T	A	-2.6366
98	E	A	-3.0721
99	D	A	-3.0074
100	D	A	0.0000
101	L	A	-1.8227
102	S	A	-2.1181
103	F	A	0.0000
104	H	A	-2.7142
105	K	A	-2.3917
106	G	A	-1.4360
107	E	A	-1.0228
108	K	A	-0.4076
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	-1.1345
122	A	A	0.0000
123	R	A	-1.3215
124	S	A	0.0000
125	L	A	0.6922
126	T	A	0.5638
127	I	A	1.3094	mutated: TA127I
128	G	A	-0.2743
129	E	A	-1.4105
130	T	A	-1.3141
131	G	A	-1.4154
132	Y	A	-0.8222
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