Project name: SH3_D99H

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	DA99H
Energy difference between WT (input) and mutated protein (by FoldX)	-0.6919 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: -2.8416
• Maximal score value: 1.7964
• Average score: -0.9096
• Total score value: -51.8461

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	-2.5600
93	Y	A	-1.9317
94	E	A	-2.6433
95	A	A	-2.4745
96	R	A	-2.8416
97	T	A	-2.3811
98	E	A	-2.6914
99	H	A	-2.2136	mutated: DA99H
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.1077
103	F	A	0.0000
104	H	A	-2.7283
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	-0.5065
111	I	A	-0.0417
112	L	A	0.1639
113	N	A	-0.8737
114	S	A	-1.1709
115	S	A	-1.5970
116	E	A	-2.5631
117	G	A	-2.1386
118	D	A	-2.4416
119	W	A	-1.0910
120	W	A	-1.0315
121	E	A	-1.0240
122	A	A	0.0000
123	R	A	-1.7011
124	S	A	0.0000
125	L	A	0.0591
126	T	A	-0.4730
127	T	A	-0.8207
128	G	A	-1.3571
129	E	A	-2.2400
130	T	A	-1.5674
131	G	A	-1.2132
132	Y	A	-0.5650
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9134
136	N	A	-1.1527
137	Y	A	-0.1259
138	V	A	0.0000
139	A	A	0.4158
140	P	A	0.7757
141	V	A	1.7964