Project name: SH3_N136C

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	NA136C
Energy difference between WT (input) and mutated protein (by FoldX)	-0.240723 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: -3.1028
• Maximal score value: 1.7964
• Average score: -0.8586
• Total score value: -48.9388

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	0.9271
88	V	A	0.4357
89	A	A	0.0000
90	L	A	0.1422
91	Y	A	-0.3657
92	D	A	-2.5555
93	Y	A	-1.9266
94	E	A	-2.6452
95	A	A	-2.6259
96	R	A	-2.9852
97	T	A	-2.6608
98	E	A	-3.1028
99	D	A	-3.0434
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.2059
103	F	A	0.0000
104	H	A	-2.7282
105	K	A	-2.4021
106	G	A	-1.4581
107	E	A	-1.3078
108	K	A	-0.6426
109	F	A	0.0000
110	Q	A	-0.5091
111	I	A	-0.0569
112	L	A	0.1429
113	N	A	-0.8879
114	S	A	-1.1795
115	S	A	-1.5962
116	E	A	-2.5599
117	G	A	-2.1340
118	D	A	-2.0794
119	W	A	-0.7984
120	W	A	-0.8403
121	E	A	-1.1530
122	A	A	0.0000
123	R	A	-1.7155
124	S	A	0.0000
125	L	A	0.0592
126	T	A	-0.4730
127	T	A	-0.8207
128	G	A	-1.3572
129	E	A	-2.2401
130	T	A	-1.6927
131	G	A	-1.4992
132	Y	A	-0.8674
133	I	A	0.0000
134	P	A	0.0000
135	S	A	0.0536
136	C	A	0.8678	mutated: NA136C
137	Y	A	0.8748
138	V	A	0.0000
139	A	A	0.7915
140	P	A	0.7757
141	V	A	1.7964