Project name: SH3_K105P

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	KA105P
Energy difference between WT (input) and mutated protein (by FoldX)	0.710011 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: -0.8066
• Total score value: -45.9741

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	0.9951
88	V	A	0.8570
89	A	A	0.0000
90	L	A	0.6999
91	Y	A	0.2497
92	D	A	-1.8901
93	Y	A	-1.6372
94	E	A	-2.6437
95	A	A	-2.6242
96	R	A	-2.9845
97	T	A	-2.6603
98	E	A	-3.1024
99	D	A	-3.0430
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.2027
103	F	A	0.0000
104	H	A	-1.8897
105	P	A	-0.7565	mutated: KA105P
106	G	A	-0.5472
107	E	A	0.0000
108	K	A	-0.2976
109	F	A	0.0000
110	Q	A	-0.5091
111	I	A	-0.0569
112	L	A	0.1429
113	N	A	-0.8877
114	S	A	-1.1790
115	S	A	-1.5957
116	E	A	-2.5591
117	G	A	-2.1323
118	D	A	-2.4437
119	W	A	-1.1023
120	W	A	-1.0554
121	E	A	-1.1528
122	A	A	0.0000
123	R	A	-1.7155
124	S	A	0.0000
125	L	A	0.1055
126	T	A	-0.4185
127	T	A	-0.7951
128	G	A	-1.3572
129	E	A	-2.2397
130	T	A	-1.6924
131	G	A	-1.4987
132	Y	A	-0.8669
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9205
136	N	A	-1.1061
137	Y	A	0.1714
138	V	A	0.0000
139	A	A	0.4855
140	P	A	0.7757
141	V	A	1.7964