Project name: SH3_T127R

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	TA127R
Energy difference between WT (input) and mutated protein (by FoldX)	-2.72424 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: -3.098
• Maximal score value: 1.7964
• Average score: -0.9441
• Total score value: -53.811

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	0.9578
88	V	A	0.5011
89	A	A	0.0000
90	L	A	-0.1180
91	Y	A	-0.5465
92	D	A	-2.5220
93	Y	A	-1.9180
94	E	A	-2.6281
95	A	A	-2.6095
96	R	A	-2.9788
97	T	A	-2.6560
98	E	A	-3.0980
99	D	A	-3.0390
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.1138
103	F	A	0.0000
104	H	A	-2.6516
105	K	A	-2.3364
106	G	A	-1.3503
107	E	A	0.0000
108	K	A	-0.6241
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	-1.1536
122	A	A	0.0000
123	R	A	-1.7205
124	S	A	0.0000
125	L	A	-0.0799
126	T	A	-0.7725
127	R	A	-1.5333	mutated: TA127R
128	G	A	-1.5794
129	E	A	-2.0939
130	T	A	-1.5981
131	G	A	-1.3969
132	Y	A	-0.8627
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