Project name: SH3_T127H

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	TA127H
Energy difference between WT (input) and mutated protein (by FoldX)	0.351586 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: -3.103
• Maximal score value: 1.7964
• Average score: -1.0068
• Total score value: -57.3864

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	0.9284
88	V	A	0.4408
89	A	A	0.0000
90	L	A	-0.1466
91	Y	A	-0.5710
92	D	A	-2.5560
93	Y	A	-1.9320
94	E	A	-2.6459
95	A	A	-2.6266
96	R	A	-2.9855
97	T	A	-2.6610
98	E	A	-3.1030
99	D	A	-3.0416
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.2060
103	F	A	0.0000
104	H	A	-2.7192
105	K	A	-2.3965
106	G	A	-1.4435
107	E	A	-1.3832
108	K	A	-0.7219
109	F	A	0.0000
110	Q	A	-0.5073
111	I	A	-0.0551
112	L	A	0.1449
113	N	A	-0.8879
114	S	A	-1.1794
115	S	A	-1.5962
116	E	A	-2.5599
117	G	A	-2.1340
118	D	A	-2.4444
119	W	A	-1.1028
120	W	A	-1.0557
121	E	A	-1.1497
122	A	A	0.0000
123	R	A	-1.8562
124	S	A	0.0000
125	L	A	-0.1990
126	T	A	-0.9090
127	H	A	-1.7344	mutated: TA127H
128	G	A	-1.8036
129	E	A	-2.5304
130	T	A	-1.8026
131	G	A	-1.4921
132	Y	A	-0.8644
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9206
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