Project name: SH3_S114C

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	SA114C
Energy difference between WT (input) and mutated protein (by FoldX)	-0.453992 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: -0.9001
• Total score value: -51.308

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	0.5118
86	L	A	0.7861
87	F	A	0.9175
88	V	A	0.4313
89	A	A	0.0000
90	L	A	-0.1511
91	Y	A	-0.5748
92	D	A	-2.5599
93	Y	A	-1.9315
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	-2.4059
106	G	A	-1.4581
107	E	A	-1.3078
108	K	A	-0.6461
109	F	A	0.0000
110	Q	A	-0.5253
111	I	A	0.0916
112	L	A	0.3133
113	N	A	-0.4983
114	C	A	-0.3600	mutated: SA114C
115	S	A	-1.1920
116	E	A	-2.3097
117	G	A	-1.9208
118	D	A	-2.2599
119	W	A	-0.9285
120	W	A	-0.7439
121	E	A	-0.9721
122	A	A	0.0000
123	R	A	-1.7236
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	-1.6965
131	G	A	-1.5029
132	Y	A	-0.7838
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.7908
136	N	A	-1.1507
137	Y	A	-0.1243
138	V	A	0.0000
139	A	A	0.4158
140	P	A	0.7757
141	V	A	1.7964