Project name: SH3_I111H

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	IA111H
Energy difference between WT (input) and mutated protein (by FoldX)	4.78281 kcal/mol CAUTION: Your mutation/s can destabilize the protein structure 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: -3.1028
• Maximal score value: 1.7879
• Average score: -1.0253
• Total score value: -58.4448

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	0.3660
86	L	A	0.5863
87	F	A	0.7305
88	V	A	0.4128
89	A	A	0.0000
90	L	A	-0.1541
91	Y	A	-0.5748
92	D	A	-2.5599
93	Y	A	-1.9315
94	E	A	-2.6452
95	A	A	-2.6259
96	R	A	-2.9852
97	T	A	-2.6608
98	E	A	-3.1028
99	D	A	-3.0434
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.2059
103	F	A	0.0000
104	H	A	-2.7282
105	K	A	-2.4059
106	G	A	-1.4611
107	E	A	-1.3176
108	K	A	-0.7555
109	F	A	0.0000
110	Q	A	-0.9467
111	H	A	-0.8788	mutated: IA111H
112	L	A	-0.2337
113	N	A	-1.0997
114	S	A	-1.3293
115	S	A	-1.5813
116	E	A	-2.5526
117	G	A	-2.1277
118	D	A	-2.4389
119	W	A	-1.0974
120	W	A	-1.2292
121	E	A	-1.3620
122	A	A	0.0000
123	R	A	-1.9356
124	S	A	0.0000
125	L	A	0.0206
126	T	A	-0.4881
127	T	A	-0.8294
128	G	A	-1.3692
129	E	A	-2.2470
130	T	A	-1.7951
131	G	A	-1.5806
132	Y	A	-0.9533
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-1.0076
136	N	A	-1.1503
137	Y	A	-0.1272
138	V	A	0.0000
139	A	A	0.4073
140	P	A	0.7623
141	V	A	1.7879