Project name: SH3_S102P

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	SA102P
Energy difference between WT (input) and mutated protein (by FoldX)	-0.854626 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: -3.1131
• Maximal score value: 1.7964
• Average score: -0.9615
• Total score value: -54.8038

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	-0.1507
91	Y	A	-0.5743
92	D	A	-2.5751
93	Y	A	-1.9592
94	E	A	-2.6806
95	A	A	-2.6597
96	R	A	-2.9982
97	T	A	-2.6708
98	E	A	-3.1131
99	D	A	-3.0526
100	D	A	0.0000
101	L	A	0.0000
102	P	A	-2.2861	mutated: SA102P
103	F	A	0.0000
104	H	A	-2.7451
105	K	A	-2.4050
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	-0.8883
114	S	A	-1.1799
115	S	A	-1.5966
116	E	A	-2.5603
117	G	A	-2.1347
118	D	A	-2.4456
119	W	A	-1.1053
120	W	A	-1.0569
121	E	A	-1.1536
122	A	A	0.0000
123	R	A	-1.6947
124	S	A	0.0000
125	L	A	0.0701
126	T	A	-0.4619
127	T	A	-0.7993
128	G	A	-1.3255
129	E	A	-2.1854
130	T	A	-1.6698
131	G	A	-1.4971
132	Y	A	-0.8794
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9214
136	N	A	-1.1508
137	Y	A	-0.1245
138	V	A	0.0000
139	A	A	0.4158
140	P	A	0.7757
141	V	A	1.7964