4BL

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C3	C1	doub	1.36Å	1.40Å	Aromatic
C5	C1	sing	1.47Å	1.49Å
C1	N2	sing	1.38Å	1.36Å	Aromatic
C4	N2	sing	1.37Å	1.34Å	Aromatic
C3	C6	sing	1.42Å	1.42Å	Aromatic
C3	H3	sing	1.08Å	1.08Å
C6	C4	sing	1.41Å	1.46Å	Aromatic
C4	C7	doub	1.39Å	1.39Å	Aromatic
O10	C5	doub	1.22Å	1.25Å
C5	O8	sing	1.35Å	1.25Å
C9	C6	doub	1.40Å	1.39Å	Aromatic
C11	C7	sing	1.38Å	1.39Å	Aromatic
C7	H7	sing	1.08Å	1.08Å
O8	HO8	sing	0.97Å	0.95Å
C9	C12	sing	1.37Å	1.39Å	Aromatic
C9	H9	sing	1.08Å	1.08Å
C12	C11	doub	1.39Å	1.40Å	Aromatic
C11	C13	sing	1.51Å	1.51Å
C12	H12	sing	1.08Å	1.08Å
C13	H13	sing	1.09Å	1.10Å
C13	H13A	sing	1.09Å	1.10Å
C13	H13B	sing	1.09Å	1.10Å
N2	HN2	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C3	C1	C5	124.2°	125.4°
C3	C1	N2	111.6°	109.1°
C1	C3	C6	102.7°	107.7°
C1	C3	H3	128.7°	126.1°
C5	C1	N2	124.2°	125.5°
C1	C5	O10	119.0°	120.1°
C1	C5	O8	119.0°	120.0°
C1	N2	C4	111.5°	108.8°
C1	N2	HN2	124.3°	125.6°
N2	C4	C6	104.0°	107.4°
N2	C4	C7	136.0°	133.1°
C4	N2	HN2	124.3°	125.6°
C6	C3	H3	128.6°	126.1°
C3	C6	C4	110.2°	107.0°
C3	C6	C9	130.0°	133.3°
C6	C4	C7	119.9°	119.4°
C4	C6	C9	119.8°	119.7°
C4	C7	C11	118.9°	119.8°
C4	C7	H7	120.6°	120.1°
O10	C5	O8	122.0°	120.0°
C5	O8	HO8	109.5°	117.0°
C6	C9	C12	118.7°	119.8°
C6	C9	H9	120.7°	120.1°
C11	C7	H7	120.5°	120.1°
C7	C11	C12	121.1°	120.7°
C7	C11	C13	119.5°	119.6°
C12	C9	H9	120.7°	120.0°
C9	C12	C11	121.6°	120.6°
C9	C12	H12	119.2°	119.7°
C12	C11	C13	119.4°	119.7°
C11	C12	H12	119.2°	119.7°
C11	C13	H13	109.5°	109.5°
C11	C13	H13A	109.4°	109.4°
C11	C13	H13B	109.5°	109.5°
H13	C13	H13A	109.5°	109.5°
H13	C13	H13B	109.5°	109.5°
H13A	C13	H13B	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C3	C1	C5	N2	180.0°	179.8°
C3	C1	N2	C4	0.0°	0.1°
C1	C3	C6	H3	180.0°	179.9°
C1	C3	C6	C4	0.1°	0.0°
C3	C1	C5	O10	0.1°	0.3°
C3	C1	C5	O8	180.0°	179.8°
C1	C3	C6	C9	180.0°	180.0°
C3	C1	N2	HN2	180.0°	180.0°
C5	C1	N2	C4	179.9°	179.7°
C5	C1	C3	C6	180.0°	179.7°
C5	C1	C3	H3	0.0°	0.2°
C1	C5	O10	O8	179.9°	179.9°
C1	C5	O8	HO8	179.9°	180.0°
C5	C1	N2	HN2	0.0°	0.2°
C1	N2	C4	HN2	180.0°	179.9°
N2	C1	C3	C6	0.0°	0.1°
N2	C1	C3	H3	179.9°	180.0°
C1	N2	C4	C6	0.1°	0.1°
C1	N2	C4	C7	180.0°	179.9°
N2	C1	C5	O10	179.9°	179.9°
N2	C1	C5	O8	0.0°	0.0°
N2	C4	C6	C3	0.1°	0.0°
N2	C4	C6	C7	179.9°	180.0°
N2	C4	C6	C9	180.0°	180.0°
N2	C4	C7	C11	179.9°	180.0°
N2	C4	C7	H7	0.1°	0.0°
C3	C6	C4	C9	179.9°	180.0°
C3	C6	C4	C7	180.0°	180.0°
C3	C6	C9	C12	179.9°	180.0°
C3	C6	C9	H9	0.1°	0.1°
H3	C3	C6	C4	179.9°	180.0°
H3	C3	C6	C9	0.0°	0.0°
C6	C4	C7	C11	0.0°	0.0°
C6	C4	C7	H7	180.0°	180.0°
C4	C6	C9	C12	0.0°	0.0°
C4	C6	C9	H9	180.0°	179.9°
C6	C4	N2	HN2	179.9°	180.0°
C7	C4	C6	C9	0.1°	0.0°
C4	C7	C11	H7	180.0°	180.0°
C4	C7	C11	C12	0.0°	0.0°
C4	C7	C11	C13	180.0°	180.0°
C7	C4	N2	HN2	0.0°	0.0°
O10	C5	O8	HO8	0.0°	0.1°
C6	C9	C12	H9	180.0°	179.9°
C6	C9	C12	C11	0.0°	0.0°
C6	C9	C12	H12	180.0°	180.0°
C7	C11	C12	C9	0.0°	0.0°
C7	C11	C12	C13	179.9°	180.0°
C7	C11	C12	H12	180.0°	180.0°
C7	C11	C13	H13	90.1°	90.0°
C7	C11	C13	H13A	150.0°	150.0°
C7	C11	C13	H13B	30.0°	30.0°
H7	C7	C11	C12	180.0°	180.0°
H7	C7	C11	C13	0.0°	0.0°
C9	C12	C11	H12	180.0°	180.0°
C9	C12	C11	C13	180.0°	180.0°
H9	C9	C12	C11	180.0°	179.9°
H9	C9	C12	H12	0.0°	0.0°
C12	C11	C13	H13	90.0°	90.0°
C12	C11	C13	H13A	30.0°	29.9°
C12	C11	C13	H13B	149.9°	150.0°
C13	C11	C12	H12	0.0°	0.1°
C11	C13	H13	H13A	120.0°	120.0°
C11	C13	H13	H13B	120.0°	120.0°
C11	C13	H13A	H13B	120.0°	120.0°
H13	C13	H13A	H13B	120.0°	120.0°

Definition date:	2009-10-21
Last modified:	2011-06-04
Release status:	REL
Processing site:	PDBJ
Derived from:	3KAB