KVX

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N	C3	doub	1.32Å	1.34Å	Aromatic
N	C4	sing	1.32Å	1.33Å	Aromatic
C3	C2	sing	1.38Å	1.38Å	Aromatic
C4	C5	doub	1.39Å	1.39Å	Aromatic
C2	C1	doub	1.39Å	1.39Å	Aromatic
C5	C1	sing	1.39Å	1.40Å	Aromatic
C5	N1	sing	1.40Å	1.40Å
C1	C	sing	1.51Å	1.51Å
CL	C12	sing	1.74Å	1.73Å
N1	C6	sing	1.35Å	1.34Å
O1	C6	doub	1.21Å	1.23Å
C6	C7	sing	1.51Å	1.53Å
C	O	sing	1.43Å	1.42Å
C13	C12	doub	1.38Å	1.38Å	Aromatic
C13	C14	sing	1.38Å	1.39Å	Aromatic
C12	C11	sing	1.38Å	1.38Å	Aromatic
C14	C7	sing	1.52Å	1.51Å
C14	C9	doub	1.39Å	1.38Å	Aromatic
C11	C10	doub	1.38Å	1.38Å	Aromatic
C7	C8	sing	1.55Å	1.53Å
C9	C10	sing	1.39Å	1.38Å	Aromatic
C9	O2	sing	1.36Å	1.38Å
C8	O2	sing	1.44Å	1.46Å
N1	H1	sing	0.97Å	1.00Å
C4	H2	sing	1.08Å	1.08Å
C7	H3	sing	1.09Å	1.10Å
C8	H4	sing	1.09Å	1.10Å
C8	H5	sing	1.09Å	1.10Å
C10	H6	sing	1.08Å	1.08Å
C13	H7	sing	1.08Å	1.08Å
C11	H8	sing	1.08Å	1.08Å
C	H9	sing	1.09Å	1.10Å
C	H10	sing	1.09Å	1.10Å
O	H11	sing	0.97Å	0.95Å
C3	H12	sing	1.08Å	1.08Å
C2	H13	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C3	N	C4	117.7°	121.8°
N	C3	C2	123.6°	120.9°
N	C3	H12	118.2°	119.5°
N	C4	C5	122.9°	120.6°
N	C4	H2	118.6°	119.7°
C3	C2	C1	119.1°	119.2°
C2	C3	H12	118.2°	119.6°
C3	C2	H13	120.4°	120.4°
C4	C5	C1	119.1°	119.1°
C4	C5	N1	121.8°	120.5°
C5	C4	H2	118.6°	119.7°
C2	C1	C5	117.6°	118.4°
C2	C1	C	120.7°	120.8°
C1	C2	H13	120.4°	120.4°
C1	C5	N1	119.1°	120.5°
C5	C1	C	121.6°	120.8°
C5	N1	C6	123.2°	120.0°
C5	N1	H1	118.4°	120.0°
C1	C	O	113.2°	109.4°
C1	C	H9	108.5°	109.5°
C1	C	H10	108.5°	109.4°
CL	C12	C13	118.8°	120.2°
CL	C12	C11	119.1°	120.1°
N1	C6	O1	123.7°	120.0°
N1	C6	C7	113.9°	120.0°
C6	N1	H1	118.4°	120.0°
O1	C6	C7	122.3°	120.0°
C6	C7	C14	106.0°	110.9°
C6	C7	C8	111.2°	111.0°
C6	C7	H3	112.4°	110.8°
O	C	H9	108.5°	109.5°
O	C	H10	108.6°	109.5°
C	O	H11	109.5°	113.9°
C12	C13	C14	118.4°	120.0°
C13	C12	C11	122.1°	119.7°
C12	C13	H7	120.8°	120.0°
C13	C14	C7	131.2°	132.2°
C13	C14	C9	119.5°	120.8°
C14	C13	H7	120.8°	120.0°
C12	C11	C10	119.5°	120.3°
C12	C11	H8	120.2°	119.8°
C7	C14	C9	109.0°	107.0°
C14	C7	C8	101.3°	101.9°
C14	C7	H3	112.8°	111.0°
C14	C9	C10	122.0°	118.9°
C14	C9	O2	110.8°	111.2°
C11	C10	C9	118.4°	120.3°
C11	C10	H6	120.8°	119.9°
C10	C11	H8	120.2°	119.8°
C7	C8	O2	104.8°	102.8°
C8	C7	H3	112.4°	111.0°
C7	C8	H4	110.6°	110.8°
C7	C8	H5	110.6°	110.7°
C10	C9	O2	127.0°	129.9°
C9	C10	H6	120.8°	119.9°
C9	O2	C8	107.7°	109.2°
O2	C8	H4	110.6°	110.8°
O2	C8	H5	110.6°	110.7°
H4	C8	H5	109.5°	110.8°
H9	C	H10	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N	C3	C2	H12	180.0°	179.6°
C3	N	C4	C5	0.3°	0.0°
N	C3	C2	C1	0.7°	0.7°
C3	N	C4	H2	179.7°	179.7°
N	C3	C2	H13	179.3°	180.0°
C4	N	C3	C2	0.1°	0.4°
N	C4	C5	H2	180.0°	179.7°
N	C4	C5	C1	1.1°	0.2°
N	C4	C5	N1	179.9°	179.7°
C4	N	C3	H12	179.9°	180.0°
C3	C2	C1	H13	180.0°	179.3°
C3	C2	C1	C5	1.5°	0.5°
C3	C2	C1	C	176.2°	179.6°
C4	C5	C1	C2	1.6°	0.0°
C4	C5	C1	N1	179.0°	180.0°
C4	C5	C1	C	176.0°	180.0°
C4	C5	N1	C6	81.4°	24.8°
C4	C5	N1	H1	98.6°	154.9°
C2	C1	C5	C	177.7°	180.0°
C2	C1	C5	N1	179.3°	180.0°
C2	C1	C	O	4.3°	0.0°
C2	C1	C	H9	116.3°	120.0°
C2	C1	C	H10	124.9°	119.9°
C1	C2	C3	H12	179.2°	179.7°
C1	C5	N1	C6	97.6°	155.2°
C5	C1	C	O	173.4°	180.0°
C1	C5	N1	H1	82.4°	25.1°
C1	C5	C4	H2	178.9°	179.9°
C5	C1	C	H9	66.1°	60.0°
C5	C1	C	H10	52.8°	60.1°
C5	C1	C2	H13	178.5°	179.8°
N1	C5	C1	C	3.0°	0.0°
C5	N1	C6	H1	180.0°	179.7°
C5	N1	C6	O1	8.2°	5.6°
C5	N1	C6	C7	169.4°	174.3°
N1	C5	C4	H2	0.1°	0.1°
C1	C	O	H9	120.5°	120.0°
C1	C	O	H10	120.6°	119.9°
C1	C	H9	H10	118.3°	120.0°
C1	C	O	H11	180.0°	180.0°
C	C1	C2	H13	3.8°	0.2°
CL	C12	C13	C11	179.3°	179.9°
CL	C12	C13	C14	177.5°	179.9°
CL	C12	C11	C10	179.0°	179.8°
CL	C12	C13	H7	2.4°	0.0°
CL	C12	C11	H8	1.0°	0.2°
N1	C6	O1	C7	177.4°	180.0°
N1	C6	C7	C14	139.9°	174.0°
N1	C6	C7	C8	110.8°	61.5°
N1	C6	C7	H3	16.3°	62.3°
O1	C6	C7	C14	42.4°	6.0°
O1	C6	C7	C8	66.8°	118.5°
O1	C6	N1	H1	171.9°	174.7°
O1	C6	C7	H3	166.1°	117.8°
C6	C7	C14	C13	72.9°	46.3°
C6	C7	C14	C8	116.2°	118.1°
C6	C7	C14	H3	123.5°	123.6°
C6	C7	C14	C9	102.1°	133.5°
C6	C7	C8	H3	127.1°	123.7°
C6	C7	C8	O2	89.2°	143.4°
C7	C6	N1	H1	10.5°	5.4°
C6	C7	C8	H4	30.1°	25.1°
C6	C7	C8	H5	151.6°	98.3°
O	C	H9	H10	118.3°	120.1°
C12	C13	C14	H7	180.0°	179.9°
C12	C13	C14	C7	173.2°	179.5°
C12	C13	C14	C9	1.3°	0.3°
C13	C12	C11	C10	0.3°	0.2°
C13	C12	C11	H8	179.7°	179.8°
C14	C13	C12	C11	1.8°	0.1°
C13	C14	C7	C9	175.0°	179.8°
C13	C14	C7	C8	171.0°	164.5°
C13	C14	C9	C10	0.7°	0.6°
C13	C14	C9	O2	174.6°	179.0°
C13	C14	C7	H3	50.6°	77.3°
C12	C11	C10	H8	180.0°	180.0°
C12	C11	C10	C9	1.6°	0.0°
C12	C11	C10	H6	178.4°	180.0°
C11	C12	C13	H7	178.2°	180.0°
C14	C7	C8	H3	120.6°	118.2°
C7	C14	C9	C10	176.3°	179.3°
C7	C14	C9	O2	1.0°	1.2°
C14	C7	C8	O2	23.2°	25.3°
C14	C7	C8	H4	142.4°	93.0°
C14	C7	C8	H5	96.1°	143.6°
C7	C14	C13	H7	6.8°	0.6°
C14	C9	C10	C11	2.1°	0.4°
C9	C14	C7	C8	14.1°	15.3°
C14	C9	C10	O2	174.5°	179.4°
C14	C9	O2	C8	16.9°	19.2°
C9	C14	C7	H3	134.4°	102.9°
C14	C9	C10	H6	177.9°	179.6°
C9	C14	C13	H7	178.7°	179.6°
C11	C10	C9	H6	180.0°	180.0°
C11	C10	C9	O2	172.3°	179.0°
C7	C8	O2	C9	25.2°	27.9°
C7	C8	O2	H4	119.2°	118.4°
C7	C8	O2	H5	119.3°	118.3°
C7	C8	H4	H5	122.2°	123.3°
C10	C9	O2	C8	168.1°	161.4°
C9	C10	C11	H8	178.4°	180.0°
C9	O2	C8	H4	144.5°	90.5°
C9	O2	C8	H5	94.0°	146.1°
O2	C9	C10	H6	7.6°	1.0°
O2	C8	C7	H3	143.8°	92.9°
O2	C8	H4	H5	122.2°	123.3°
H3	C7	C8	H4	97.0°	148.8°
H3	C7	C8	H5	24.5°	25.4°
H6	C10	C11	H8	1.6°	0.0°
H9	C	O	H11	59.5°	60.0°
H10	C	O	H11	59.4°	60.1°
H12	C3	C2	H13	0.8°	0.4°

Release date:	2023-11-08
Definition date:	2023-08-14
Last modified:	2023-11-03
Release status:	REL
Processing site:	RCSB
Derived from:	7GBI