Project name: SH3_E94P

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	EA94P
Energy difference between WT (input) and mutated protein (by FoldX)	0.993929 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: -3.1101
• Maximal score value: 1.7964
• Average score: -0.8773
• Total score value: -50.005

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	0.9242
88	V	A	0.4320
89	A	A	0.0000
90	L	A	-0.1548
91	Y	A	-0.4253
92	D	A	-2.2333
93	Y	A	-1.2210
94	P	A	-1.1228	mutated: EA94P
95	A	A	-1.8833
96	R	A	-2.6200
97	T	A	-2.4813
98	E	A	-3.1101
99	D	A	-3.0500
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-1.6454
103	F	A	0.0000
104	H	A	-2.5202
105	K	A	-2.4108
106	G	A	-1.4570
107	E	A	-1.3055
108	K	A	-0.6415
109	F	A	0.0000
110	Q	A	-0.5091
111	I	A	-0.0568
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	-1.7155
124	S	A	0.0000
125	L	A	0.0596
126	T	A	-0.4724
127	T	A	-0.8204
128	G	A	-1.3572
129	E	A	-2.2489
130	T	A	-1.7004
131	G	A	-1.5089
132	Y	A	-0.8760
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9206
136	N	A	-1.1504
137	Y	A	-0.1299
138	V	A	0.0000
139	A	A	0.4158
140	P	A	0.7757
141	V	A	1.7964