Project name: SH3_S115H

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	SA115H
Energy difference between WT (input) and mutated protein (by FoldX)	0.911542 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: -1.0216
• Total score value: -58.2322

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	0.9238
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	-0.6426
109	F	A	0.0000
110	Q	A	-0.5393
111	I	A	-0.1292
112	L	A	-0.0773
113	N	A	-1.3450
114	S	A	-1.6681
115	H	A	-2.4402	mutated: SA115H
116	E	A	-2.9904
117	G	A	-2.4120
118	D	A	-2.5994
119	W	A	-1.2306
120	W	A	-1.2675
121	E	A	-1.3268
122	A	A	0.0000
123	R	A	-1.7197
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	-1.6950
131	G	A	-1.4998
132	Y	A	-0.8932
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9194
136	N	A	-1.1500
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