Project name: SH3_E129H

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	EA129H
Energy difference between WT (input) and mutated protein (by FoldX)	0.543803 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: -3.0679
• Maximal score value: 1.7964
• Average score: -0.9316
• Total score value: -53.1019

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	0.9242
88	V	A	0.4320
89	A	A	0.0000
90	L	A	-0.1508
91	Y	A	-0.5745
92	D	A	-2.5598
93	Y	A	-1.9039
94	E	A	-2.6119
95	A	A	-2.5695
96	R	A	-2.9588
97	T	A	-2.6333
98	E	A	-3.0679
99	D	A	-3.0024
100	D	A	0.0000
101	L	A	-1.6731
102	S	A	-2.0257
103	F	A	0.0000
104	H	A	-2.7278
105	K	A	-2.4052
106	G	A	-1.4570
107	E	A	-1.3055
108	K	A	-0.6415
109	F	A	0.0000
110	Q	A	-0.5091
111	I	A	-0.0568
112	L	A	0.1430
113	N	A	-0.8883
114	S	A	-1.1799
115	S	A	-1.5966
116	E	A	-2.5603
117	G	A	-2.1347
118	D	A	-2.4456
119	W	A	-1.1053
120	W	A	-1.0569
121	E	A	-1.1317
122	A	A	0.0000
123	R	A	-1.4289
124	S	A	0.0000
125	L	A	0.1927
126	T	A	-0.3387
127	T	A	-0.5518
128	G	A	-0.9532
129	H	A	-1.3790	mutated: EA129H
130	T	A	-1.2465
131	G	A	-1.2478
132	Y	A	-0.8157
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9214
136	N	A	-1.1508
137	Y	A	-0.1246
138	V	A	0.0000
139	A	A	0.4158
140	P	A	0.7757
141	V	A	1.7964