Project name: SH3_T85P

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	TA85P
Energy difference between WT (input) and mutated protein (by FoldX)	0.921121 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: -3.1028
• Maximal score value: 1.747
• Average score: -0.9716
• Total score value: -55.3807

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	P	A	0.3259	mutated: TA85P
86	L	A	0.6890
87	F	A	0.8531
88	V	A	0.4004
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	-1.3116
108	K	A	-0.6513
109	F	A	0.0000
110	Q	A	-0.5569
111	I	A	-0.1010
112	L	A	0.1391
113	N	A	-0.8902
114	S	A	-1.1811
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	-1.0574
121	E	A	-1.1551
122	A	A	0.0000
123	R	A	-1.7174
124	S	A	0.0000
125	L	A	0.0566
126	T	A	-0.4730
127	T	A	-0.8207
128	G	A	-1.3572
129	E	A	-2.2401
130	T	A	-1.6936
131	G	A	-1.5000
132	Y	A	-0.8682
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9245
136	N	A	-1.1504
137	Y	A	-0.1272
138	V	A	0.0000
139	A	A	0.3881
140	P	A	0.7190
141	V	A	1.7470