Project name: SH3_T127D

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	TA127D
Energy difference between WT (input) and mutated protein (by FoldX)	0.857365 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: 1.7978
• Average score: -1.0534
• Total score value: -60.0445

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	0.7959
87	F	A	0.9229
88	V	A	0.4270
89	A	A	0.0000
90	L	A	-0.1543
91	Y	A	-0.5782
92	D	A	-2.5638
93	Y	A	-1.9320
94	E	A	-2.6458
95	A	A	-2.6265
96	R	A	-2.9854
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	-2.2059
103	F	A	0.0000
104	H	A	-2.7358
105	K	A	-2.4132
106	G	A	-1.4691
107	E	A	-1.5272
108	K	A	-0.8213
109	F	A	0.0000
110	Q	A	-0.5043
111	I	A	-0.0542
112	L	A	0.1449
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	-1.1503
122	A	A	0.0000
123	R	A	-1.9816
124	S	A	0.0000
125	L	A	-0.4338
126	T	A	-1.3039
127	D	A	-2.5377	mutated: TA127D
128	G	A	-2.1934
129	E	A	-2.7881
130	T	A	-1.9104
131	G	A	-1.4924
132	Y	A	-0.8652
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	0.4168
140	P	A	0.7767
141	V	A	1.7978