3K7

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C15	O1	sing	1.43Å	1.42Å
O1	C5	sing	1.36Å	1.36Å
CL	C14	sing	1.74Å	1.79Å
C4	C5	doub	1.39Å	1.37Å	Aromatic
C4	C3	sing	1.38Å	1.38Å	Aromatic
C5	C6	sing	1.39Å	1.38Å	Aromatic
C3	C2	doub	1.40Å	1.38Å	Aromatic
C14	N18	doub	1.31Å	1.34Å	Aromatic
C14	C13	sing	1.40Å	1.39Å	Aromatic
N18	N11	sing	1.40Å	1.40Å	Aromatic
C6	O2	sing	1.36Å	1.36Å
C6	C1	doub	1.38Å	1.39Å	Aromatic
C2	C1	sing	1.40Å	1.39Å	Aromatic
C2	C7	sing	1.48Å	1.49Å
C13	C12	doub	1.38Å	1.39Å	Aromatic
C11	O2	sing	1.43Å	1.42Å
N11	C7	sing	1.37Å	1.33Å	Aromatic
N11	C10	sing	1.37Å	1.33Å	Aromatic
C7	C8	doub	1.38Å	1.47Å	Aromatic
C12	C10	sing	1.41Å	1.38Å	Aromatic
C12	N12	sing	1.39Å	1.35Å
C10	N9	doub	1.33Å	1.35Å	Aromatic
C8	N9	sing	1.33Å	1.34Å	Aromatic
C8	C9	sing	1.51Å	1.50Å
C1	H1	sing	1.08Å	1.08Å
C3	H2	sing	1.08Å	1.08Å
C4	H3	sing	1.08Å	1.08Å
C13	H4	sing	1.08Å	1.08Å
C9	H5	sing	1.09Å	1.10Å
C9	H6	sing	1.09Å	1.10Å
C9	H7	sing	1.09Å	1.10Å
N12	H8	sing	0.97Å	1.00Å
N12	H9	sing	0.97Å	1.00Å
C11	H10	sing	1.09Å	1.10Å
C11	H11	sing	1.09Å	1.10Å
C11	H12	sing	1.09Å	1.10Å
C15	H13	sing	1.09Å	1.10Å
C15	H14	sing	1.09Å	1.10Å
C15	H15	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C15	O1	C5	116.8°	117.0°
O1	C15	H13	109.5°	109.5°
O1	C15	H14	109.5°	109.5°
O1	C15	H15	109.4°	109.5°
O1	C5	C4	117.1°	119.9°
O1	C5	C6	122.8°	119.9°
CL	C14	N18	119.5°	119.5°
CL	C14	C13	120.9°	119.5°
C5	C4	C3	119.3°	120.2°
C4	C5	C6	120.1°	120.1°
C5	C4	H3	120.3°	119.9°
C4	C3	C2	121.6°	120.0°
C4	C3	H2	119.2°	120.0°
C3	C4	H3	120.3°	119.9°
C5	C6	O2	120.3°	120.0°
C5	C6	C1	120.6°	120.0°
C3	C2	C1	118.8°	119.8°
C3	C2	C7	119.9°	120.1°
C2	C3	H2	119.2°	120.0°
N18	C14	C13	119.6°	121.0°
C14	N18	N11	119.7°	121.0°
C14	C13	C12	119.6°	119.9°
C14	C13	H4	120.2°	120.0°
N18	N11	C7	128.5°	132.7°
N18	N11	C10	122.2°	120.2°
O2	C6	C1	119.1°	120.0°
C6	O2	C11	119.2°	117.0°
C6	C1	C2	119.6°	119.9°
C6	C1	H1	120.2°	120.1°
C1	C2	C7	121.2°	120.1°
C2	C1	H1	120.2°	120.1°
C2	C7	N11	119.6°	126.6°
C2	C7	C8	133.7°	126.7°
C13	C12	C10	120.4°	118.9°
C13	C12	N12	119.9°	120.6°
C12	C13	H4	120.1°	120.1°
O2	C11	H10	109.5°	109.4°
O2	C11	H11	109.5°	109.5°
O2	C11	H12	109.4°	109.5°
C7	N11	C10	109.3°	107.1°
N11	C7	C8	106.7°	106.7°
N11	C10	C12	118.4°	119.1°
N11	C10	N9	110.0°	108.5°
C7	C8	N9	104.9°	108.3°
C7	C8	C9	127.9°	125.8°
C10	C12	N12	119.6°	120.5°
C12	C10	N9	131.7°	132.4°
C12	N12	H8	109.5°	120.0°
C12	N12	H9	109.4°	120.0°
C10	N9	C8	109.2°	109.4°
N9	C8	C9	127.1°	125.9°
C8	C9	H5	109.5°	109.5°
C8	C9	H6	109.5°	109.5°
C8	C9	H7	109.5°	109.5°
H5	C9	H6	109.4°	109.5°
H5	C9	H7	109.5°	109.5°
H6	C9	H7	109.5°	109.4°
H8	N12	H9	109.5°	120.0°
H10	C11	H11	109.5°	109.5°
H10	C11	H12	109.5°	109.4°
H11	C11	H12	109.5°	109.5°
H13	C15	H14	109.5°	109.4°
H13	C15	H15	109.5°	109.4°
H14	C15	H15	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C15	O1	C5	C4	46.8°	0.0°
C15	O1	C5	C6	132.8°	179.7°
O1	C15	H13	H14	120.0°	120.0°
O1	C15	H13	H15	120.0°	120.0°
O1	C15	H14	H15	120.0°	120.1°
O1	C5	C4	C6	179.7°	179.7°
O1	C5	C4	C3	179.8°	180.0°
O1	C5	C6	O2	0.1°	0.2°
O1	C5	C6	C1	179.7°	179.7°
O1	C5	C4	H3	0.2°	0.3°
C5	O1	C15	H13	180.0°	60.0°
C5	O1	C15	H14	60.0°	60.0°
C5	O1	C15	H15	60.0°	180.0°
CL	C14	N18	C13	179.9°	179.0°
CL	C14	N18	N11	179.9°	180.0°
CL	C14	C13	C12	179.9°	179.7°
CL	C14	C13	H4	0.1°	0.4°
C5	C4	C3	H3	180.0°	179.7°
C5	C4	C3	C2	1.5°	0.1°
C4	C5	C6	O2	179.7°	180.0°
C4	C5	C6	C1	0.0°	0.6°
C5	C4	C3	H2	178.5°	180.0°
C3	C4	C5	C6	0.5°	0.3°
C4	C3	C2	H2	180.0°	179.9°
C4	C3	C2	C1	1.9°	0.1°
C4	C3	C2	C7	179.7°	180.0°
C5	C6	O2	C1	179.8°	179.5°
C5	C6	C1	C2	0.4°	0.5°
C5	C6	O2	C11	64.3°	180.0°
C5	C6	C1	H1	179.5°	179.8°
C6	C5	C4	H3	179.5°	180.0°
C3	C2	C1	C6	1.3°	0.3°
C3	C2	C1	C7	177.9°	179.9°
C3	C2	C7	N11	36.1°	45.4°
C3	C2	C7	C8	142.6°	135.0°
C3	C2	C1	H1	178.6°	180.0°
C2	C3	C4	H3	178.5°	179.8°
N18	C14	C13	C12	0.2°	0.7°
C14	N18	N11	C7	179.7°	179.2°
C14	N18	N11	C10	0.2°	0.7°
N18	C14	C13	H4	179.8°	179.4°
C13	C14	N18	N11	0.2°	1.0°
C14	C13	C12	H4	180.0°	179.9°
C14	C13	C12	C10	0.2°	0.0°
C14	C13	C12	N12	179.9°	180.0°
N18	N11	C7	C2	1.1°	0.0°
N18	N11	C7	C10	179.6°	179.9°
N18	N11	C7	C8	179.9°	179.7°
N18	N11	C10	C12	0.1°	0.1°
N18	N11	C10	N9	179.9°	179.7°
O2	C6	C1	C2	179.3°	180.0°
O2	C6	C1	H1	0.7°	0.3°
C6	O2	C11	H10	180.0°	60.0°
C6	O2	C11	H11	60.0°	60.0°
C6	O2	C11	H12	60.0°	180.0°
C6	C1	C2	H1	180.0°	179.7°
C6	C1	C2	C7	179.2°	179.8°
C1	C6	O2	C11	115.5°	0.5°
C1	C2	C7	N11	146.1°	134.7°
C1	C2	C7	C8	35.3°	44.9°
C1	C2	C3	H2	178.1°	180.0°
C2	C7	N11	C8	179.0°	179.7°
C2	C7	N11	C10	179.3°	179.9°
C2	C7	C8	N9	179.0°	179.9°
C2	C7	C8	C9	1.1°	0.1°
C7	C2	C1	H1	0.8°	0.1°
C7	C2	C3	H2	0.2°	0.1°
C13	C12	C10	N11	0.2°	0.2°
C13	C12	C10	N12	179.9°	180.0°
C13	C12	C10	N9	179.9°	180.0°
C13	C12	N12	H8	180.0°	180.0°
C13	C12	N12	H9	60.0°	0.0°
O2	C11	H10	H11	120.0°	120.0°
O2	C11	H10	H12	120.0°	120.0°
O2	C11	H11	H12	120.0°	120.1°
C7	N11	C10	C12	179.8°	179.8°
C7	N11	C10	N9	0.3°	0.4°
N11	C7	C8	N9	0.3°	0.2°
N11	C7	C8	C9	179.8°	179.8°
C10	N11	C7	C8	0.4°	0.4°
N11	C10	C12	N9	179.9°	179.7°
N11	C10	C12	N12	179.9°	179.8°
N11	C10	N9	C8	0.1°	0.2°
C7	C8	N9	C10	0.1°	0.0°
C7	C8	N9	C9	179.9°	180.0°
C7	C8	C9	H5	179.9°	90.0°
C7	C8	C9	H6	60.1°	150.0°
C7	C8	C9	H7	59.9°	30.0°
C12	C10	N9	C8	180.0°	180.0°
C10	C12	C13	H4	179.8°	180.0°
C10	C12	N12	H8	0.1°	0.0°
C10	C12	N12	H9	119.9°	180.0°
N12	C12	C10	N9	0.0°	0.0°
N12	C12	C13	H4	0.1°	0.1°
C12	N12	H8	H9	120.0°	180.0°
C10	N9	C8	C9	180.0°	180.0°
N9	C8	C9	H5	0.0°	90.0°
N9	C8	C9	H6	120.0°	30.0°
N9	C8	C9	H7	120.0°	150.0°
C8	C9	H5	H6	120.0°	120.0°
C8	C9	H5	H7	120.0°	120.0°
C8	C9	H6	H7	120.0°	120.0°
H2	C3	C4	H3	1.5°	0.3°
H5	C9	H6	H7	120.0°	120.0°
H10	C11	H11	H12	120.0°	120.0°
H13	C15	H14	H15	120.0°	119.9°

Release date:	2015-05-20
Definition date:	2014-09-01
Last modified:	2015-05-15
Release status:	REL
Processing site:	RCSB
Derived from:	4WAG