Table 2.

Differences in interactions (>50%) observed in Phe56Ala U1A-RNA complex simulation compared to wild type

Residues	Positions	Type of interaction	Difference
Tyr13 – Ala56	β1 to β3	VDW	− 86%
Ala56 – C5	β3 to RNA loop	VDW	− 73%
Ala56 – A6	β3 to RNA loop	VDW	− 70%
Lys50 – A6	loop 3 to RNA loop	VDW	− 52 %
U2 – G4	RNA loop	H-bond (N2 of G4 – O2 of U2)	− 61%
Glu19 – U2	loop 1 to RNA loop	VDW	− 74%
Arg52 – U2	loop 3 to RNA loop	VDW	− 51%
Arg52 – A1	loop 3 to RNA loop	VDW	− 58%
Ile33 – Gln36	helix A	H-bond (NE2 of Gln36 – O of Ile33)	+ 52%
A-4 – U15	RNA stem	VDW	− 64%
A-5 – U15	RNA stem	H-bond (N3 of U15 – N1 of A-5)	− 80%
A-5 – U15	RNA stem	H-bond (N6 of A-5 – O4 of U15)	− 82%
A-5 – U15	RNA stem	VDW	− 83%
A-5 – U16	RNA stem	H-bond (N6 of A-5 – O2* of U16)	+ 64%
A-5 – U16	RNA stem	VDW	+ 60%
U14 – U15	RNA stem	H-bond (O2* of U14 – O5* of U15)	+ 72%
U14 – U16	RNA stem	VDW	+ 66%