Atomic interactions at the interface(s) of chain R as defined by CSU[1] program # Columns are (tab-delimited): # 1. Residue 1 type # 2. Residue 1 number (as in remediated PDB file) # 3. Residue 1 chain # 4. Residue 1 atom # 5. Residue 2 type # 6. Residue 2 number (as in remediated PDB file) # 7. Residue 2 chain # 8. Residue 2 atom # 9. Distance (Ang.) #10. Contact surface area (Ang.^2) ------------------------------------------------------------------------------- VAL 12 R CG1 Y 31 L OH 5.2 3.4 SER 17 R CB R 53 H NH1 3.2 21.3 SER 17 R OG R 53 H NH1 3.2 0.3 ILE 21 R CG2 T 31 H CG2 4.0 3.8 ILE 21 R CD1 R 53 H NE 4.0 18.6 GLN 25 R CD S 30 H OG 3.7 1.6 GLN 25 R OE1 S 30 H OG 2.9 18.5 GLN 25 R NE2 S 30 H OG 3.7 7.9 HIS 27 R CG T 31 H CG2 4.7 3.1 HIS 27 R ND1 T 31 H CG2 4.0 3.0 HIS 27 R CD2 T 28 H OG1 4.0 7.0 HIS 27 R CE1 T 31 H CG2 4.0 9.4 HIS 27 R NE2 T 28 H OG1 3.4 16.4 VAL 29 R CG1 R 53 H NH2 3.9 18.6 VAL 29 R CG2 T 31 H CG2 3.7 18.2 GLU 31 R CB F 32 H CZ 4.0 16.4 GLU 31 R CG F 32 H CE2 3.9 18.2 GLU 31 R CD D 103 H OD2 5.4 0.9 GLU 31 R OE1 D 103 H OD2 4.7 6.8 GLU 31 R O R 53 H NH2 4.7 0.9 TYR 32 R CD2 F 101 H CZ 4.5 7.2 TYR 32 R CE2 F 101 H CZ 4.6 5.2 TYR 32 R O F 101 H CE1 3.6 17.7 ASP 33 R N R 53 H NH2 4.1 2.6 ASP 33 R CB R 53 H NH2 3.6 14.4 ASP 33 R CG G 99 H CA 4.0 5.6 ASP 33 R OD1 R 100 H N 2.7 25.1 ASP 33 R OD2 S 33 H OG 2.7 22.3 ASP 33 R O R 53 H NH1 3.6 15.4 PRO 34 R CB R 100 H NH1 4.0 1.8 PRO 34 R CG R 100 H CB 4.0 10.3 PRO 34 R CD F 101 H CE1 3.7 19.7 PRO 34 R C R 100 H NH1 3.8 0.2 PRO 34 R O R 100 H NH1 3.1 14.6 THR 35 R OG1 R 53 H NH1 3.6 10.2 THR 35 R C R 100 H NH1 4.4 0.4 THR 35 R O R 100 H NH1 4.6 1.0 ILE 36 R N Y 50 H OH 4.5 4.2 ILE 36 R CB T 57 H CG2 4.0 4.9 ILE 36 R CG1 R 100 H NH1 3.6 14.4 ILE 36 R CG2 Y 59 H OH 3.7 11.4 ILE 36 R CD1 Y 59 H CE1 3.7 23.1 ILE 36 R CD1 M 95 L CE 4.7 6.1 GLU 37 R N T 57 H OG1 3.3 1.6 GLU 37 R CB T 57 H OG1 3.5 8.5 GLU 37 R CG K 56 H CG 4.5 1.1 GLU 37 R OE2 K 56 H CE 3.4 21.7 GLU 37 R C K 56 H CG 4.0 1.3 GLU 37 R O T 57 H OG1 2.6 17.7 ASP 38 R CB T 54 H OG1 3.7 1.6 ASP 38 R CG R 53 H CB 3.9 11.0 ASP 38 R OD1 S 52 H OG 2.7 24.8 ASP 38 R OD2 R 53 H CB 3.8 8.7 ASP 38 R C K 56 H CG 4.1 1.8 SER 39 R N T 54 H OG1 3.1 5.7 SER 39 R CB K 56 H CD 4.1 21.3 SER 39 R O T 54 H CB 3.3 19.8 TYR 40 R CD2 T 54 H CG2 4.0 4.0 TYR 40 R CE1 T 54 H CG2 3.8 6.5 TYR 40 R CE2 T 54 H CG2 3.5 8.7 TYR 40 R CZ T 54 H CG2 3.4 5.2 TYR 40 R OH R 53 H CD 3.6 17.5 LEU 56 R CD1 K 56 H CE 4.2 14.1 ASP 57 R OD2 R 53 H NH1 4.4 1.9 GLN 61 R NE2 R 100 H NH2 4.0 10.5 GLN 61 R CG Y 31 L OH 3.7 12.6 GLN 61 R CD Y 31 L OH 3.7 7.0 GLN 61 R OE1 V 91 L CG2 3.4 21.7 GLN 61 R NE2 Y 31 L CE2 4.4 6.7 GLU 63 R CB V 91 L CG2 4.0 9.9 GLU 63 R CG V 91 L CG2 3.7 11.2 GLU 63 R CD Y 31 L CE1 3.9 8.7 GLU 63 R OE1 Y 31 L OH 4.0 1.6 GLU 63 R OE2 Y 31 L CE1 3.4 14.7 TYR 64 R CD2 Y 59 H OH 5.2 0.9 TYR 64 R CE1 R 100 H NH2 3.6 6.1 TYR 64 R CE2 Y 59 H OH 5.4 1.8 TYR 64 R CZ R 100 H NH2 3.3 3.8 TYR 64 R OH R 100 H NH2 2.4 20.6 TYR 64 R CE2 V 91 L O 3.4 9.6 TYR 64 R CZ V 91 L O 3.2 2.0 TYR 64 R OH V 91 L O 2.4 20.1 MET 67 R SD Y 59 H OH 5.1 0.7 MET 67 R CE Y 59 H OH 4.2 9.6 ------------------------------------------------------------------------------- References: 1. Sobolev, V., Sorokine, A., Prilusky, J., Abola, E.E. and Edelman, M. (1999) Automated analysis of interatomic contacts in proteins. Bioinformatics, 15, 327-332.