Project name: SH3_R96P

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	RA96P
Energy difference between WT (input) and mutated protein (by FoldX)	0.911333 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: -2.8781
• Maximal score value: 1.7964
• Average score: -0.9126
• Total score value: -52.018

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	0.9234
88	V	A	0.4306
89	A	A	0.0000
90	L	A	-0.1502
91	Y	A	-0.5724
92	D	A	-2.5550
93	Y	A	-1.7615
94	E	A	-2.2876
95	A	A	-1.9062
96	P	A	-1.4442	mutated: RA96P
97	T	A	-1.9513
98	E	A	-2.8355
99	D	A	-2.8781
100	D	A	-1.8660
101	L	A	0.0000
102	S	A	-2.0047
103	F	A	0.0000
104	H	A	-2.7263
105	K	A	-2.4048
106	G	A	-1.4592
107	E	A	-1.3102
108	K	A	-0.6438
109	F	A	0.0000
110	Q	A	-0.5091
111	I	A	-0.0568
112	L	A	0.1429
113	N	A	-0.8642
114	S	A	-1.1440
115	S	A	-1.5746
116	E	A	-2.5276
117	G	A	-2.0850
118	D	A	-2.3629
119	W	A	-0.9657
120	W	A	-0.9968
121	E	A	-1.1437
122	A	A	0.0000
123	R	A	-1.7155
124	S	A	0.0000
125	L	A	0.0587
126	T	A	-0.4736
127	T	A	-0.8209
128	G	A	-1.3572
129	E	A	-2.2402
130	T	A	-1.7227
131	G	A	-1.5518
132	Y	A	-0.9060
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.8666
136	N	A	-1.1254
137	Y	A	-0.1047
138	V	A	0.0000
139	A	A	0.4158
140	P	A	0.7757
141	V	A	1.7964