Project name: SH3_S114P

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	SA114P
Energy difference between WT (input) and mutated protein (by FoldX)	-1.49773 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: -3.1024
• Maximal score value: 1.7964
• Average score: -0.9751
• Total score value: -55.5806

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	0.5073
86	L	A	0.7803
87	F	A	0.9124
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	-2.6254
96	R	A	-2.9852
97	T	A	-2.6608
98	E	A	-3.1024
99	D	A	-3.0425
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.2055
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	-0.6490
109	F	A	0.0000
110	Q	A	-0.5615
111	I	A	-0.1734
112	L	A	0.0087
113	N	A	-1.0103
114	P	A	-1.2712	mutated: SA114P
115	S	A	-1.6389
116	E	A	-2.5832
117	G	A	-2.1501
118	D	A	-2.4566
119	W	A	-1.1141
120	W	A	-1.1113
121	E	A	-1.2176
122	A	A	0.0000
123	R	A	-1.7433
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	-1.7081
131	G	A	-1.5108
132	Y	A	-0.8877
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9313
136	N	A	-1.1499
137	Y	A	-0.1241
138	V	A	0.0000
139	A	A	0.4158
140	P	A	0.7757
141	V	A	1.7964