Project name: SH3_E116H

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	EA116H
Energy difference between WT (input) and mutated protein (by FoldX)	0.515059 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: -3.086
• Maximal score value: 1.7964
• Average score: -0.9112
• Total score value: -51.9371

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	-2.6079
96	R	A	-2.9852
97	T	A	-2.6608
98	E	A	-3.0860
99	D	A	-3.0033
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.1881
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	-0.5240
111	I	A	-0.0810
112	L	A	0.0884
113	N	A	-0.8311
114	S	A	-0.9853
115	S	A	-1.2337
116	H	A	-1.7618	mutated: EA116H
117	G	A	-1.7368
118	D	A	-2.2604
119	W	A	-0.9160
120	W	A	-0.8796
121	E	A	-1.0164
122	A	A	0.0000
123	R	A	-1.6910
124	S	A	0.0000
125	L	A	0.0592
126	T	A	-0.4730
127	T	A	-0.8207
128	G	A	-1.3573
129	E	A	-2.2402
130	T	A	-1.6584
131	G	A	-1.4227
132	Y	A	-0.7401
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.8976
136	N	A	-1.1504
137	Y	A	-0.1243
138	V	A	0.0000
139	A	A	0.4158
140	P	A	0.7757
141	V	A	1.7964