Project name: SH3_T126K

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	TA126K
Energy difference between WT (input) and mutated protein (by FoldX)	-1.15038 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: -3.1041
• Maximal score value: 1.7998
• Average score: -1.0108
• Total score value: -57.6184

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	0.7953
87	F	A	0.9619
88	V	A	0.5074
89	A	A	0.0000
90	L	A	-0.1158
91	Y	A	-0.5465
92	D	A	-2.5315
93	Y	A	-1.9350
94	E	A	-2.6496
95	A	A	-2.6301
96	R	A	-2.9868
97	T	A	-2.6621
98	E	A	-3.1041
99	D	A	-3.0445
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.2166
103	F	A	0.0000
104	H	A	-2.8307
105	K	A	-2.3336
106	G	A	-1.5136
107	E	A	0.0000
108	K	A	-0.8807
109	F	A	0.0000
110	Q	A	-0.5096
111	I	A	-0.0546
112	L	A	0.1429
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	-1.1530
122	A	A	0.0000
123	R	A	-1.9486
124	S	A	0.0000
125	L	A	-0.7210
126	K	A	-2.0545	mutated: TA126K
127	T	A	-1.5855
128	G	A	-1.8023
129	E	A	-2.5077
130	T	A	-1.6963
131	G	A	-1.5007
132	Y	A	-0.8687
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	0.4182
140	P	A	0.7781
141	V	A	1.7998