Project name: SH3_T126C

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	TA126C
Energy difference between WT (input) and mutated protein (by FoldX)	0.0771052 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: 1.799
• Average score: -0.9117
• Total score value: -51.9642

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	0.7950
87	F	A	0.9336
88	V	A	0.4496
89	A	A	0.0000
90	L	A	-0.1439
91	Y	A	-0.5704
92	D	A	-2.5572
93	Y	A	-1.9351
94	E	A	-2.6498
95	A	A	-2.6303
96	R	A	-2.9869
97	T	A	-2.6621
98	E	A	-3.1042
99	D	A	-3.0446
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.2171
103	F	A	0.0000
104	H	A	-2.6333
105	K	A	-2.3924
106	G	A	-1.3533
107	E	A	-1.0687
108	K	A	-0.4314
109	F	A	0.0000
110	Q	A	-0.5069
111	I	A	-0.0552
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	-1.6006
124	S	A	0.0000
125	L	A	0.4658
126	C	A	0.3394	mutated: TA126C
127	T	A	-0.4292
128	G	A	-1.1431
129	E	A	-2.1129
130	T	A	-1.6943
131	G	A	-1.5007
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	0.4178
140	P	A	0.7774
141	V	A	1.7990