3JC

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C5	doub	1.21Å	1.22Å
C15	C1	sing	1.51Å	1.49Å
C5	C6	sing	1.52Å	1.50Å
C5	C2	sing	1.47Å	1.46Å
C1	C2	doub	1.40Å	1.37Å	Aromatic
C1	N1	sing	1.32Å	1.33Å	Aromatic
C6	C7	sing	1.53Å	1.51Å
C2	C3	sing	1.40Å	1.37Å	Aromatic
N1	C4	doub	1.33Å	1.34Å	Aromatic
C7	C8	sing	1.51Å	1.50Å
C7	C9	sing	1.53Å	1.51Å
C3	C9	sing	1.50Å	1.49Å
C3	N2	doub	1.32Å	1.33Å	Aromatic
C4	N2	sing	1.33Å	1.34Å	Aromatic
C4	N3	sing	1.38Å	1.39Å
C8	C14	doub	1.38Å	1.38Å	Aromatic
C8	C10	sing	1.38Å	1.37Å	Aromatic
C14	C13	sing	1.38Å	1.38Å	Aromatic
C10	C11	doub	1.38Å	1.37Å	Aromatic
C13	C12	doub	1.38Å	1.37Å	Aromatic
C11	C12	sing	1.38Å	1.37Å	Aromatic
C11	H1	sing	1.08Å	1.08Å
C12	H2	sing	1.08Å	1.08Å
C13	H3	sing	1.08Å	1.08Å
C14	H4	sing	1.08Å	1.08Å
C15	H5	sing	1.09Å	1.10Å
C15	H6	sing	1.09Å	1.10Å
C15	H7	sing	1.09Å	1.10Å
N3	H8	sing	0.97Å	1.00Å
N3	H9	sing	0.97Å	1.00Å
C6	H10	sing	1.09Å	1.10Å
C6	H11	sing	1.09Å	1.10Å
C7	H12	sing	1.09Å	1.10Å
C9	H13	sing	1.09Å	1.10Å
C9	H14	sing	1.09Å	1.10Å
C10	H15	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C5	C6	123.3°	121.2°
O1	C5	C2	120.0°	121.3°
C15	C1	C2	122.4°	120.7°
C15	C1	N1	116.1°	120.7°
C1	C15	H5	109.5°	109.4°
C1	C15	H6	109.5°	109.5°
C1	C15	H7	109.5°	109.5°
C6	C5	C2	116.7°	117.5°
C5	C6	C7	110.2°	107.5°
C5	C6	H10	109.3°	109.8°
C5	C6	H11	109.3°	109.8°
C5	C2	C1	121.2°	120.6°
C5	C2	C3	120.6°	120.3°
C2	C1	N1	121.5°	118.6°
C1	C2	C3	118.2°	119.1°
C1	N1	C4	116.5°	120.8°
C6	C7	C8	108.7°	109.5°
C6	C7	C9	110.2°	109.5°
C7	C6	H10	109.3°	109.8°
C7	C6	H11	109.3°	109.9°
C6	C7	H12	108.8°	109.5°
C2	C3	C9	122.4°	121.6°
C2	C3	N2	121.2°	118.5°
N1	C4	N2	125.8°	122.3°
N1	C4	N3	116.8°	118.9°
C8	C7	C9	111.5°	109.4°
C7	C8	C14	121.0°	120.0°
C7	C8	C10	120.0°	120.0°
C8	C7	H12	108.8°	109.5°
C7	C9	C3	111.0°	111.1°
C9	C7	H12	108.7°	109.4°
C7	C9	H13	109.1°	109.2°
C7	C9	H14	109.1°	109.2°
C9	C3	N2	116.4°	119.9°
C3	C9	H13	109.1°	109.2°
C3	C9	H14	109.1°	109.1°
C3	N2	C4	116.8°	120.8°
N2	C4	N3	117.4°	118.8°
C4	N3	H8	109.5°	120.0°
C4	N3	H9	109.4°	120.0°
C14	C8	C10	118.9°	120.0°
C8	C14	C13	120.7°	120.0°
C8	C14	H4	119.7°	120.0°
C8	C10	C11	120.6°	120.0°
C8	C10	H15	119.7°	120.0°
C14	C13	C12	120.0°	120.0°
C14	C13	H3	120.0°	119.9°
C13	C14	H4	119.7°	120.1°
C10	C11	C12	120.2°	120.0°
C10	C11	H1	119.9°	120.1°
C11	C10	H15	119.7°	120.0°
C13	C12	C11	119.5°	120.0°
C13	C12	H2	120.2°	120.0°
C12	C13	H3	120.0°	120.1°
C12	C11	H1	119.9°	120.0°
C11	C12	H2	120.3°	120.0°
H5	C15	H6	109.5°	109.4°
H5	C15	H7	109.5°	109.5°
H6	C15	H7	109.5°	109.5°
H8	N3	H9	109.5°	119.9°
H10	C6	H11	109.5°	109.9°
H13	C9	H14	109.5°	109.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C5	C6	C2	178.3°	179.9°
O1	C5	C2	C1	7.4°	11.3°
O1	C5	C6	C7	142.7°	137.4°
O1	C5	C2	C3	173.0°	168.4°
O1	C5	C6	H10	22.6°	17.9°
O1	C5	C6	H11	97.2°	103.1°
C15	C1	C2	C5	0.3°	0.1°
C15	C1	C2	N1	179.9°	179.8°
C15	C1	C2	C3	179.9°	179.9°
C15	C1	N1	C4	179.7°	179.7°
C1	C15	H5	H6	120.0°	120.0°
C1	C15	H5	H7	120.0°	120.0°
C1	C15	H6	H7	120.0°	120.0°
C6	C5	C2	C1	170.9°	168.7°
C5	C6	C7	H10	120.1°	119.5°
C5	C6	C7	H11	120.1°	119.5°
C6	C5	C2	C3	8.7°	11.5°
C5	C6	C7	C8	176.4°	176.1°
C5	C6	C7	C9	61.1°	64.0°
C5	C6	H10	H11	119.7°	120.9°
C5	C6	C7	H12	58.0°	56.0°
C5	C2	C1	C3	179.6°	179.8°
C5	C2	C1	N1	179.8°	179.7°
C2	C5	C6	C7	39.0°	42.5°
C5	C2	C3	C9	0.1°	0.6°
C5	C2	C3	N2	179.4°	179.6°
C2	C5	C6	H10	159.1°	162.0°
C2	C5	C6	H11	81.1°	77.0°
C2	C1	N1	C4	0.4°	0.0°
C1	C2	C3	C9	179.7°	179.7°
C1	C2	C3	N2	0.2°	0.2°
C2	C1	C15	H5	179.9°	90.0°
C2	C1	C15	H6	60.1°	150.0°
C2	C1	C15	H7	59.9°	30.0°
N1	C1	C2	C3	0.2°	0.1°
C1	N1	C4	N2	0.4°	0.1°
C1	N1	C4	N3	179.8°	179.9°
N1	C1	C15	H5	0.0°	89.7°
N1	C1	C15	H6	120.0°	30.2°
N1	C1	C15	H7	120.0°	150.2°
C6	C7	C8	C9	121.7°	120.0°
C6	C7	C8	H12	118.4°	120.1°
C6	C7	C9	H12	119.1°	120.0°
C6	C7	C9	C3	52.1°	54.4°
C6	C7	C8	C14	20.5°	120.0°
C6	C7	C8	C10	158.9°	60.2°
C7	C6	H10	H11	119.7°	121.1°
C6	C7	C9	H13	172.3°	66.1°
C6	C7	C9	H14	68.1°	174.8°
C2	C3	C9	C7	22.0°	22.5°
C2	C3	C9	N2	179.5°	179.8°
C2	C3	N2	C4	0.3°	0.1°
C2	C3	C9	H13	142.3°	98.0°
C2	C3	C9	H14	98.2°	142.9°
N1	C4	N2	C3	0.0°	0.0°
N1	C4	N2	N3	179.8°	180.0°
N1	C4	N3	H8	0.0°	0.0°
N1	C4	N3	H9	120.0°	180.0°
C8	C7	C9	H12	120.0°	120.0°
C8	C7	C9	C3	172.9°	174.4°
C7	C8	C14	C10	179.4°	179.8°
C7	C8	C14	C13	179.3°	180.0°
C7	C8	C10	C11	179.4°	179.7°
C7	C8	C14	H4	0.7°	0.0°
C8	C7	C6	H10	56.3°	56.6°
C8	C7	C6	H11	63.5°	64.4°
C8	C7	C9	H13	66.8°	53.9°
C8	C7	C9	H14	52.7°	65.2°
C7	C8	C10	H15	0.6°	0.1°
C7	C9	C3	H13	120.3°	120.5°
C7	C9	C3	H14	120.2°	120.4°
C7	C9	C3	N2	158.5°	157.7°
C9	C7	C8	C14	101.2°	120.0°
C9	C7	C8	C10	79.4°	59.8°
C9	C7	C6	H10	178.8°	176.5°
C9	C7	C6	H11	59.0°	55.5°
C7	C9	H13	H14	119.3°	119.2°
C9	C3	N2	C4	179.8°	179.7°
C3	C9	C7	H12	67.0°	65.6°
C3	C9	H13	H14	119.3°	119.1°
C3	N2	C4	N3	179.8°	180.0°
N2	C3	C9	H13	38.2°	81.9°
N2	C3	C9	H14	81.3°	37.2°
N2	C4	N3	H8	179.8°	180.0°
N2	C4	N3	H9	59.8°	0.0°
C4	N3	H8	H9	120.0°	180.0°
C8	C14	C13	H4	180.0°	179.9°
C14	C8	C10	C11	0.0°	0.5°
C8	C14	C13	C12	0.0°	0.0°
C8	C14	C13	H3	180.0°	180.0°
C14	C8	C7	H12	138.9°	0.1°
C14	C8	C10	H15	180.0°	179.7°
C10	C8	C14	C13	0.0°	0.3°
C8	C10	C11	H15	180.0°	179.8°
C8	C10	C11	C12	0.1°	0.5°
C8	C10	C11	H1	179.9°	179.8°
C10	C8	C14	H4	180.0°	179.8°
C10	C8	C7	H12	40.5°	179.7°
C14	C13	C12	H3	180.0°	180.0°
C14	C13	C12	C11	0.1°	0.0°
C14	C13	C12	H2	180.0°	180.0°
C10	C11	C12	C13	0.1°	0.3°
C10	C11	C12	H1	180.0°	179.8°
C10	C11	C12	H2	179.9°	179.7°
C13	C12	C11	H2	180.0°	180.0°
C13	C12	C11	H1	179.9°	180.0°
C12	C13	C14	H4	180.0°	179.9°
C11	C12	C13	H3	179.9°	180.0°
C12	C11	C10	H15	179.9°	179.7°
H1	C11	C12	H2	0.1°	0.0°
H1	C11	C10	H15	0.1°	0.1°
H2	C12	C13	H3	0.1°	0.0°
H3	C13	C14	H4	0.0°	0.0°
H5	C15	H6	H7	120.0°	120.0°
H10	C6	C7	H12	62.1°	63.5°
H11	C6	C7	H12	178.1°	175.5°
H12	C7	C9	H13	53.2°	173.9°
H12	C7	C9	H14	172.7°	54.8°

Release date:	2014-11-26
Definition date:	2014-08-26
Last modified:	2014-11-21
Release status:	REL
Processing site:	RCSB
Derived from:	4W7T