RT1

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.38Å	1.39Å	Aromatic
C1	C6	doub	1.38Å	1.42Å	Aromatic
C1	H1	sing	1.08Å	1.08Å
C2	C3	doub	1.38Å	1.41Å	Aromatic
C2	H9	sing	1.08Å	1.08Å
C3	C4	sing	1.38Å	1.41Å	Aromatic
C3	H3	sing	1.08Å	1.08Å
C4	C5	doub	1.38Å	1.40Å	Aromatic
C4	H4	sing	1.08Å	1.08Å
C5	C6	sing	1.38Å	1.39Å	Aromatic
C5	H5	sing	1.08Å	1.08Å
C6	C7	sing	1.51Å	1.55Å
C7	C8	sing	1.53Å	1.58Å
C7	H6	sing	1.09Å	1.10Å
C7	H7	sing	1.09Å	1.10Å
C8	N	sing	1.47Å	1.46Å
C8	P1	sing	1.82Å	1.81Å
C8	H8	sing	1.09Å	1.10Å
P1	O1	sing	1.61Å	1.52Å
P1	O2	doub	1.48Å	1.51Å
P1	C9	sing	1.82Å	1.79Å
O1	H10	sing	0.97Å	0.95Å
N	HN2	sing	1.01Å	1.00Å
C9	CA	sing	1.53Å	1.53Å
C9	H11	sing	1.09Å	1.10Å
C9	H12	sing	1.09Å	1.10Å
CA	C11	sing	1.53Å	1.61Å
CA	C	sing	1.51Å	1.58Å
CA	H13	sing	1.09Å	1.10Å
C11	H14	sing	1.09Å	1.10Å
C11	H15	sing	1.09Å	1.10Å
C11	H16	sing	1.09Å	1.10Å
C	O	doub	1.21Å	1.24Å
N	H2	sing	1.01Å	1.00Å
C	OXT	sing	1.34Å	1.43Å
OXT	HXT	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C6	123.3°	120.0°
C2	C1	H1	118.4°	120.0°
C1	C2	C3	114.3°	120.0°
C1	C2	H9	122.8°	120.0°
C6	C1	H1	118.4°	119.9°
C1	C6	C5	121.4°	120.0°
C1	C6	C7	115.9°	120.1°
C3	C2	H9	122.8°	120.0°
C2	C3	C4	123.7°	119.9°
C2	C3	H3	118.1°	120.0°
C4	C3	H3	118.2°	120.0°
C3	C4	C5	120.1°	120.0°
C3	C4	H4	119.9°	120.0°
C5	C4	H4	119.9°	120.0°
C4	C5	C6	117.1°	120.0°
C4	C5	H5	121.4°	120.0°
C6	C5	H5	121.4°	120.0°
C5	C6	C7	122.5°	119.9°
C6	C7	C8	105.7°	109.5°
C6	C7	H6	110.7°	109.5°
C6	C7	H7	110.8°	109.5°
C8	C7	H6	110.8°	109.5°
C8	C7	H7	110.8°	109.4°
C7	C8	N	110.9°	109.5°
C7	C8	P1	113.0°	109.4°
C7	C8	H8	104.8°	109.5°
H6	C7	H7	108.2°	109.4°
N	C8	P1	105.4°	109.5°
N	C8	H8	112.5°	109.5°
C8	N	HN2	109.5°	111.0°
C8	N	H2	109.5°	111.0°
P1	C8	H8	110.4°	109.5°
C8	P1	O1	110.7°	109.5°
C8	P1	O2	113.7°	109.5°
C8	P1	C9	107.2°	109.5°
O1	P1	O2	101.2°	109.4°
O1	P1	C9	110.9°	109.5°
P1	O1	H10	109.5°	114.0°
O2	P1	C9	113.1°	109.5°
P1	C9	CA	116.9°	109.5°
P1	C9	H11	107.0°	109.4°
P1	C9	H12	107.1°	109.5°
HN2	N	H2	109.5°	111.1°
CA	C9	H11	107.1°	109.5°
CA	C9	H12	107.1°	109.5°
C9	CA	C11	113.3°	109.5°
C9	CA	C	106.2°	109.4°
C9	CA	H13	107.5°	109.5°
H11	C9	H12	111.7°	109.5°
C11	CA	C	103.7°	109.4°
C11	CA	H13	109.8°	109.5°
CA	C11	H14	109.5°	109.5°
CA	C11	H15	109.5°	109.5°
CA	C11	H16	109.4°	109.5°
C	CA	H13	116.5°	109.4°
CA	C	O	120.3°	120.0°
CA	C	OXT	131.6°	120.0°
H14	C11	H15	109.5°	109.4°
H14	C11	H16	109.5°	109.5°
H15	C11	H16	109.5°	109.4°
O	C	OXT	108.1°	120.0°
C	OXT	HXT	109.5°	117.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C6	H1	180.0°	179.6°
C1	C2	C3	H9	180.0°	179.9°
C1	C2	C3	C4	0.0°	0.0°
C1	C2	C3	H3	180.0°	179.9°
C2	C1	C6	C5	2.7°	0.0°
C2	C1	C6	C7	177.6°	180.0°
C6	C1	C2	C3	1.6°	0.1°
C6	C1	C2	H9	178.4°	180.0°
C1	C6	C5	C4	2.0°	0.0°
C1	C6	C5	C7	174.6°	180.0°
C1	C6	C5	H5	178.1°	180.0°
C1	C6	C7	C8	95.5°	89.9°
C1	C6	C7	H6	144.5°	150.0°
C1	C6	C7	H7	24.5°	30.1°
H1	C1	C2	C3	178.4°	179.7°
H1	C1	C2	H9	1.6°	0.4°
H1	C1	C6	C5	177.3°	179.7°
H1	C1	C6	C7	2.3°	0.3°
C2	C3	C4	H3	180.0°	180.0°
C2	C3	C4	C5	0.6°	0.0°
C2	C3	C4	H4	179.4°	180.0°
H9	C2	C3	C4	180.0°	179.9°
H9	C2	C3	H3	0.0°	0.0°
C3	C4	C5	H4	180.0°	180.0°
C3	C4	C5	C6	0.4°	0.1°
C3	C4	C5	H5	179.6°	180.0°
H3	C3	C4	C5	179.4°	180.0°
H3	C3	C4	H4	0.6°	0.0°
C4	C5	C6	H5	180.0°	179.9°
C4	C5	C6	C7	176.6°	180.0°
H4	C4	C5	C6	179.6°	180.0°
H4	C4	C5	H5	0.4°	0.0°
C5	C6	C7	C8	79.3°	90.1°
C5	C6	C7	H6	40.7°	30.0°
C5	C6	C7	H7	160.7°	149.9°
H5	C5	C6	C7	3.5°	0.0°
C6	C7	C8	H6	120.0°	120.1°
C6	C7	C8	H7	120.0°	120.0°
C6	C7	H6	H7	121.5°	120.0°
C6	C7	C8	N	61.6°	180.0°
C6	C7	C8	P1	179.7°	60.0°
C6	C7	C8	H8	60.1°	59.9°
C8	C7	H6	H7	121.5°	119.9°
C7	C8	N	P1	122.6°	120.0°
C7	C8	N	H8	117.0°	120.0°
C7	C8	P1	H8	117.0°	120.0°
C7	C8	P1	O1	176.3°	60.0°
C7	C8	P1	O2	70.6°	60.0°
C7	C8	P1	C9	55.2°	180.0°
C7	C8	N	HN2	180.0°	176.0°
C7	C8	N	H2	60.0°	59.9°
H6	C7	C8	N	178.4°	59.9°
H6	C7	C8	P1	60.4°	60.0°
H6	C7	C8	H8	59.9°	180.0°
H7	C7	C8	N	58.4°	60.0°
H7	C7	C8	P1	59.7°	180.0°
H7	C7	C8	H8	179.9°	60.1°
N	C8	P1	H8	121.7°	120.1°
N	C8	P1	O1	62.4°	60.0°
N	C8	P1	O2	50.7°	179.9°
N	C8	P1	C9	176.5°	60.0°
C8	N	HN2	H2	120.0°	124.0°
C8	P1	O1	O2	120.9°	120.0°
C8	P1	O1	C9	118.9°	120.0°
C8	P1	O2	C9	122.6°	120.0°
C8	P1	O1	H10	120.8°	60.1°
P1	C8	N	HN2	57.4°	64.0°
C8	P1	C9	CA	163.5°	175.0°
C8	P1	C9	H11	76.5°	65.0°
C8	P1	C9	H12	43.5°	55.0°
P1	C8	N	H2	62.6°	60.0°
H8	C8	P1	O1	59.3°	179.9°
H8	C8	P1	O2	172.4°	60.0°
H8	C8	P1	C9	61.8°	60.0°
H8	C8	N	HN2	63.0°	56.0°
H8	C8	N	H2	177.0°	179.9°
O1	P1	O2	C9	118.7°	120.0°
O1	P1	C9	CA	75.5°	65.0°
O1	P1	C9	H11	44.5°	55.0°
O1	P1	C9	H12	164.5°	175.0°
O2	P1	O1	H10	0.0°	180.0°
O2	P1	C9	CA	37.4°	55.0°
O2	P1	C9	H11	157.4°	175.0°
O2	P1	C9	H12	82.7°	65.1°
C9	P1	O1	H10	120.3°	60.0°
P1	C9	CA	H11	120.0°	119.9°
P1	C9	CA	H12	120.0°	120.0°
P1	C9	H11	H12	116.9°	120.0°
P1	C9	CA	C11	154.2°	75.0°
P1	C9	CA	C	92.6°	165.0°
P1	C9	CA	H13	32.8°	45.1°
CA	C9	H11	H12	116.9°	120.1°
C9	CA	C11	C	114.6°	120.0°
C9	CA	C11	H13	120.2°	120.1°
C9	CA	C	H13	119.6°	120.0°
C9	CA	C11	H14	180.0°	180.0°
C9	CA	C11	H15	60.0°	60.0°
C9	CA	C11	H16	60.0°	59.9°
C9	CA	C	O	24.7°	0.0°
C9	CA	C	OXT	155.3°	180.0°
H11	C9	CA	C11	34.2°	44.9°
H11	C9	CA	C	147.4°	75.1°
H11	C9	CA	H13	87.2°	165.0°
H12	C9	CA	C11	85.8°	165.0°
H12	C9	CA	C	27.4°	45.0°
H12	C9	CA	H13	152.8°	74.9°
C11	CA	C	H13	120.7°	120.0°
CA	C11	H14	H15	120.0°	120.0°
CA	C11	H14	H16	120.0°	120.1°
CA	C11	H15	H16	120.0°	120.0°
C11	CA	C	O	94.9°	120.0°
C11	CA	C	OXT	85.1°	60.0°
C	CA	C11	H14	65.3°	60.0°
C	CA	C11	H15	174.6°	180.0°
C	CA	C11	H16	54.6°	60.0°
CA	C	O	OXT	180.0°	180.0°
CA	C	OXT	HXT	180.0°	180.0°
H13	CA	C11	H14	59.9°	59.9°
H13	CA	C11	H15	60.2°	60.0°
H13	CA	C11	H16	179.8°	180.0°
H13	CA	C	O	144.3°	120.0°
H13	CA	C	OXT	35.6°	60.0°
H14	C11	H15	H16	120.0°	120.0°
O	C	OXT	HXT	0.0°	0.0°

Definition date:	2010-03-14
Last modified:	2012-01-13
Release status:	REL
Processing site:	RCSB
Derived from:	2X97