Project name: SH3_N113R

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	NA113R
Energy difference between WT (input) and mutated protein (by FoldX)	0.576944 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: -3.1026
• Maximal score value: 1.7964
• Average score: -1.0785
• Total score value: -61.4746

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	-2.5599
93	Y	A	-1.9315
94	E	A	-2.6452
95	A	A	-2.6256
96	R	A	-2.9852
97	T	A	-2.6608
98	E	A	-3.1026
99	D	A	-3.0382
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.2056
103	F	A	0.0000
104	H	A	-2.7282
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	-0.7550
111	I	A	-0.6209
112	L	A	-0.8915
113	R	A	-2.4289	mutated: NA113R
114	S	A	-1.9016
115	S	A	-2.0383
116	E	A	-2.8715
117	G	A	-2.3127
118	D	A	-2.5829
119	W	A	-1.2877
120	W	A	-1.5477
121	E	A	-1.7373
122	A	A	0.0000
123	R	A	-1.7826
124	S	A	0.0000
125	L	A	0.0592
126	T	A	-0.4730
127	T	A	-0.8207
128	G	A	-1.3572
129	E	A	-2.2401
130	T	A	-1.7331
131	G	A	-1.5283
132	Y	A	-1.0650
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9128
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