Supporting information for How does Mg2+ modulate the RNA folding

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How does Mg2+ modulate the RNA folding mechanism — a .... 3.6 -30.5 -13.1. Mg-N7-direct .... S1 PDB Ids of the RNA crystal structures studied in this work.
Supporting information for How does Mg2+ modulate the RNA folding mechanism — a case study of G:C W:W Trans base pair Antarip Halder,a Rohit Roy,a , Dhananjay Bhattacharyyab and Abhijit Mitra∗a a

b

Center for Computational Natural Sciences and Bioinformatics (CCNSB), International Institute of Information Technology (IIIT-H), Gachibowli, Hyderabad 500032, India. Computational Science Division, Saha Institute of Nuclear Physics (SINP), 1/AF,Bidhannagar, Kolkata 700064, India.

1

R

R' N7

N7

R O6

N7

O6

N7

R' O

O6

6

RN7=2.7Å, RO6=2.58Å R'N7=R'O6=6.5Å

Case I: Direct interaction MG-N7MG-O6>RO6

Case II: Water mediated interaction RMG-W

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