K7Z

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CL	C10	sing	1.74Å	1.78Å
C9	C10	doub	1.38Å	1.39Å	Aromatic
C9	C8	sing	1.38Å	1.39Å	Aromatic
C10	C11	sing	1.38Å	1.39Å	Aromatic
C8	C7	doub	1.39Å	1.38Å	Aromatic
C11	C12	doub	1.38Å	1.38Å	Aromatic
O	C4	doub	1.21Å	1.18Å
C	C1	sing	1.53Å	1.53Å
C7	C12	sing	1.39Å	1.38Å	Aromatic
C7	S	sing	1.76Å	1.82Å
C4	C5	sing	1.51Å	1.51Å
C4	N	sing	1.35Å	1.44Å
C6	S	sing	1.81Å	1.83Å
C6	C5	sing	1.53Å	1.51Å
C1	C3	sing	1.53Å	1.53Å
C1	C2	sing	1.53Å	1.53Å
C3	N	sing	1.46Å	1.45Å
C3	C13	sing	1.51Å	1.51Å
O2	C13	doub	1.21Å	1.26Å
C13	O1	sing	1.34Å	1.25Å
C9	H1	sing	1.08Å	1.08Å
C8	H2	sing	1.08Å	1.08Å
C6	H3	sing	1.09Å	1.10Å
C6	H4	sing	1.09Å	1.10Å
C11	H5	sing	1.08Å	1.08Å
N	H6	sing	0.97Å	1.00Å
C	H7	sing	1.09Å	1.10Å
C	H8	sing	1.09Å	1.10Å
C	H9	sing	1.09Å	1.10Å
C1	H10	sing	1.09Å	1.10Å
O1	H11	sing	0.97Å	0.95Å
C2	H12	sing	1.09Å	1.10Å
C2	H13	sing	1.09Å	1.10Å
C2	H14	sing	1.09Å	1.10Å
C3	H15	sing	1.09Å	1.10Å
C5	H16	sing	1.09Å	1.10Å
C5	H17	sing	1.09Å	1.10Å
C12	H18	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CL	C10	C9	119.4°	119.9°
CL	C10	C11	119.9°	120.0°
C10	C9	C8	119.7°	120.0°
C9	C10	C11	120.6°	120.1°
C10	C9	H1	120.2°	120.0°
C9	C8	C7	119.7°	119.9°
C8	C9	H1	120.2°	120.0°
C9	C8	H2	120.2°	120.0°
C10	C11	C12	119.3°	120.1°
C10	C11	H5	120.4°	119.9°
C8	C7	C12	120.5°	119.9°
C8	C7	S	119.4°	120.1°
C7	C8	H2	120.2°	120.1°
C11	C12	C7	120.3°	119.9°
C12	C11	H5	120.4°	120.0°
C11	C12	H18	119.8°	120.0°
O	C4	C5	120.1°	120.0°
O	C4	N	120.0°	120.0°
C	C1	C3	110.7°	109.5°
C	C1	C2	111.3°	109.5°
C1	C	H7	109.5°	109.5°
C1	C	H8	109.5°	109.5°
C1	C	H9	109.5°	109.4°
C	C1	H10	107.3°	109.5°
C12	C7	S	120.1°	120.1°
C7	C12	H18	119.9°	120.0°
C7	S	C6	106.1°	103.0°
C5	C4	N	119.9°	120.0°
C4	C5	C6	108.7°	109.5°
C4	C5	H16	109.7°	109.5°
C4	C5	H17	109.7°	109.5°
C4	N	C3	120.1°	120.0°
C4	N	H6	120.0°	120.0°
S	C6	C5	111.1°	109.5°
S	C6	H3	109.1°	109.5°
S	C6	H4	109.1°	109.5°
C5	C6	H3	109.1°	109.4°
C5	C6	H4	109.0°	109.5°
C6	C5	H16	109.7°	109.5°
C6	C5	H17	109.6°	109.4°
C3	C1	C2	112.6°	109.4°
C1	C3	N	112.1°	109.5°
C1	C3	C13	111.8°	109.5°
C3	C1	H10	107.4°	109.5°
C1	C3	H15	109.0°	109.5°
C2	C1	H10	107.3°	109.5°
C1	C2	H12	109.5°	109.5°
C1	C2	H13	109.5°	109.5°
C1	C2	H14	109.5°	109.5°
N	C3	C13	104.3°	109.4°
C3	N	H6	120.0°	120.0°
N	C3	H15	110.1°	109.5°
C3	C13	O2	121.8°	120.0°
C3	C13	O1	116.7°	120.0°
C13	C3	H15	109.4°	109.4°
O2	C13	O1	121.5°	120.0°
C13	O1	H11	109.5°	117.0°
H3	C6	H4	109.4°	109.5°
H7	C	H8	109.4°	109.5°
H7	C	H9	109.5°	109.5°
H8	C	H9	109.5°	109.4°
H12	C2	H13	109.5°	109.5°
H12	C2	H14	109.5°	109.5°
H13	C2	H14	109.4°	109.4°
H16	C5	H17	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CL	C10	C9	C11	179.6°	179.8°
CL	C10	C9	C8	179.9°	179.8°
CL	C10	C11	C12	179.9°	179.8°
CL	C10	C9	H1	0.1°	0.2°
CL	C10	C11	H5	0.1°	0.2°
C10	C9	C8	H1	180.0°	180.0°
C10	C9	C8	C7	0.5°	0.0°
C9	C10	C11	C12	0.5°	0.0°
C10	C9	C8	H2	179.5°	180.0°
C9	C10	C11	H5	179.5°	180.0°
C8	C9	C10	C11	0.3°	0.1°
C9	C8	C7	H2	180.0°	180.0°
C9	C8	C7	C12	1.1°	0.0°
C9	C8	C7	S	179.6°	180.0°
C10	C11	C12	H5	180.0°	180.0°
C10	C11	C12	C7	0.0°	0.0°
C11	C10	C9	H1	179.7°	180.0°
C10	C11	C12	H18	180.0°	179.9°
C8	C7	C12	C11	0.8°	0.0°
C8	C7	C12	S	179.4°	180.0°
C8	C7	S	C6	68.7°	180.0°
C7	C8	C9	H1	179.5°	180.0°
C8	C7	C12	H18	179.2°	179.9°
C11	C12	C7	H18	180.0°	179.9°
C11	C12	C7	S	179.8°	179.9°
O	C4	C5	N	179.4°	180.0°
O	C4	C5	C6	58.9°	0.0°
O	C4	N	C3	0.7°	0.1°
O	C4	N	H6	179.3°	180.0°
O	C4	C5	H16	61.0°	120.0°
O	C4	C5	H17	178.8°	119.9°
C	C1	C3	C2	125.3°	120.0°
C	C1	C3	H10	116.9°	120.0°
C	C1	C2	H10	117.1°	120.0°
C	C1	C3	N	72.1°	180.0°
C	C1	C3	C13	171.2°	60.0°
C1	C	H7	H8	120.0°	120.0°
C1	C	H7	H9	120.0°	120.0°
C1	C	H8	H9	120.0°	120.0°
C	C1	C2	H12	180.0°	180.0°
C	C1	C2	H13	60.0°	60.0°
C	C1	C2	H14	60.0°	59.9°
C	C1	C3	H15	50.2°	59.9°
C12	C7	S	C6	110.7°	0.0°
C12	C7	C8	H2	178.9°	180.0°
C7	C12	C11	H5	180.0°	179.9°
C7	S	C6	C5	149.6°	179.9°
S	C7	C8	H2	0.4°	0.0°
C7	S	C6	H3	90.2°	60.0°
C7	S	C6	H4	29.3°	60.0°
S	C7	C12	H18	0.2°	0.1°
C4	C5	C6	S	65.1°	180.0°
C4	C5	C6	H16	119.9°	120.0°
C4	C5	C6	H17	119.9°	120.0°
C5	C4	N	C3	179.9°	179.9°
C4	C5	C6	H3	174.6°	60.0°
C4	C5	C6	H4	55.2°	60.0°
C5	C4	N	H6	0.1°	0.1°
C4	C5	H16	H17	120.4°	120.1°
N	C4	C5	C6	120.5°	179.9°
C4	N	C3	C1	98.9°	155.0°
C4	N	C3	H6	180.0°	179.9°
C4	N	C3	C13	140.0°	85.0°
C4	N	C3	H15	22.7°	34.9°
N	C4	C5	H16	119.6°	60.0°
N	C4	C5	H17	0.6°	60.1°
S	C6	C5	H3	120.3°	120.0°
S	C6	C5	H4	120.3°	120.0°
S	C6	H3	H4	119.3°	120.0°
S	C6	C5	H16	175.0°	60.0°
S	C6	C5	H17	54.8°	60.0°
C5	C6	H3	H4	119.2°	120.0°
C6	C5	H16	H17	120.3°	119.9°
C3	C1	C2	H10	117.9°	120.0°
C1	C3	N	C13	121.1°	120.0°
C1	C3	N	H15	121.6°	120.1°
C1	C3	C13	H15	120.8°	120.0°
C1	C3	C13	O2	58.1°	119.7°
C1	C3	C13	O1	122.1°	60.0°
C1	C3	N	H6	81.1°	24.9°
C3	C1	C	H7	180.0°	60.0°
C3	C1	C	H8	60.0°	180.0°
C3	C1	C	H9	60.0°	60.0°
C3	C1	C2	H12	55.0°	60.0°
C3	C1	C2	H13	175.1°	180.0°
C3	C1	C2	H14	65.0°	60.1°
C2	C1	C3	N	53.2°	60.0°
C2	C1	C3	C13	63.6°	180.0°
C2	C1	C	H7	54.0°	60.0°
C2	C1	C	H8	174.0°	60.0°
C2	C1	C	H9	66.0°	180.0°
C1	C2	H12	H13	120.0°	120.0°
C1	C2	H12	H14	120.0°	120.0°
C1	C2	H13	H14	120.0°	119.9°
C2	C1	C3	H15	175.4°	60.1°
N	C3	C13	H15	117.8°	120.0°
N	C3	C13	O2	179.5°	0.3°
N	C3	C13	O1	0.7°	180.0°
N	C3	C1	H10	171.1°	60.0°
C3	C13	O2	O1	179.7°	179.7°
C13	C3	N	H6	40.0°	95.1°
C13	C3	C1	H10	54.3°	60.0°
C3	C13	O1	H11	179.7°	179.7°
O2	C13	O1	H11	0.0°	0.0°
O2	C13	C3	H15	62.7°	120.3°
O1	C13	C3	H15	117.1°	60.1°
H1	C9	C8	H2	0.5°	0.0°
H3	C6	C5	H16	54.8°	60.0°
H3	C6	C5	H17	65.5°	180.0°
H4	C6	C5	H16	64.7°	180.0°
H4	C6	C5	H17	175.1°	60.0°
H5	C11	C12	H18	0.0°	0.0°
H6	N	C3	H15	157.3°	145.0°
H7	C	H8	H9	120.0°	120.0°
H7	C	C1	H10	63.1°	180.0°
H8	C	C1	H10	56.9°	60.0°
H9	C	C1	H10	176.9°	60.0°
H10	C1	C2	H12	62.9°	60.0°
H10	C1	C2	H13	57.2°	60.0°
H10	C1	C2	H14	177.1°	179.9°
H10	C1	C3	H15	66.7°	179.9°
H12	C2	H13	H14	120.0°	120.0°

Release date:	2021-02-03
Definition date:	2019-05-02
Last modified:	2021-01-29
Release status:	REL
Processing site:	PDBE
Derived from:	6RLC