QPT

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N2	PT1	sing	2.09Å	2.06Å
PT1	N1	sing	2.09Å	2.09Å
N2	H1	sing	1.01Å	1.00Å
N2	H2	sing	1.01Å	1.00Å
N1	H3	sing	1.01Å	1.00Å
N1	H4	sing	1.01Å	1.00Å
PT1	O2	sing	2.03Å	18.22Å
PT1	O1	sing	2.03Å	18.22Å
O1	C1	sing	1.38Å	0.00Å
O2	C2	sing	1.38Å	0.00Å
C1	C3	sing	1.51Å	0.00Å
C1	O4	doub	1.21Å	0.00Å
C2	O3	doub	1.21Å	0.00Å
C2	C3	sing	1.52Å	0.00Å
C3	C7	sing	1.54Å	0.00Å
C3	C5	sing	1.54Å	0.00Å
C5	C6	sing	1.54Å	0.00Å
C6	C7	sing	1.54Å	0.00Å
C5	H5	sing	1.09Å	0.00Å
C5	H6	sing	1.09Å	0.00Å
C6	H7	sing	1.09Å	0.00Å
C6	H8	sing	1.09Å	0.00Å
C7	H9	sing	1.09Å	0.00Å
C7	H10	sing	1.09Å	0.00Å
N2	H11	sing	1.01Å	1.00Å
N1	H12	sing	1.01Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N2	PT1	N1	86.6°	110.5°
PT1	N2	H1	109.5°	109.4°
PT1	N2	H2	109.5°	109.5°
N2	PT1	O2	115.3°	110.5°
N2	PT1	O1	115.3°	110.5°
PT1	N2	H11	109.5°	109.4°
PT1	N1	H3	109.5°	109.5°
PT1	N1	H4	109.4°	109.5°
N1	PT1	O2	79.7°	110.6°
N1	PT1	O1	79.7°	110.5°
PT1	N1	H12	109.5°	109.5°
H1	N2	H2	109.5°	109.5°
H1	N2	H11	109.5°	109.5°
H2	N2	H11	109.5°	109.5°
H3	N1	H4	109.4°	109.4°
H3	N1	H12	109.5°	109.5°
H4	N1	H12	109.5°	109.5°
O2	PT1	O1	0.0°	104.0°
PT1	O2	C2	90.0°	109.4°
PT1	O1	C1	90.0°	109.3°
O1	C1	C3	90.0°	118.1°
O1	C1	O4	90.0°	121.0°
O2	C2	O3	90.0°	121.0°
O2	C2	C3	90.0°	117.9°
C3	C1	O4	90.0°	121.0°
C1	C3	C2	90.0°	116.8°
C1	C3	C7	90.0°	112.4°
C1	C3	C5	90.0°	112.4°
O3	C2	C3	90.0°	121.1°
C2	C3	C7	90.0°	112.2°
C2	C3	C5	90.0°	112.5°
C7	C3	C5	90.0°	86.9°
C3	C7	C6	90.0°	87.1°
C3	C7	H9	90.0°	113.6°
C3	C7	H10	90.0°	113.6°
C3	C5	C6	90.0°	87.1°
C3	C5	H5	90.0°	113.6°
C3	C5	H6	90.0°	113.6°
C5	C6	C7	90.0°	87.1°
C6	C5	H5	90.0°	113.6°
C6	C5	H6	90.0°	113.6°
C5	C6	H7	90.0°	113.6°
C5	C6	H8	90.0°	113.6°
C7	C6	H7	90.0°	113.6°
C7	C6	H8	90.0°	113.6°
C6	C7	H9	90.0°	113.6°
C6	C7	H10	90.0°	113.6°
H5	C5	H6	90.0°	112.9°
H7	C6	H8	90.0°	112.9°
H9	C7	H10	90.0°	112.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N2	PT1	N1	O2	116.5°	122.7°
N2	PT1	N1	O1	116.5°	122.6°
PT1	N2	H1	H2	120.0°	120.0°
PT1	N2	H1	H11	120.0°	119.9°
PT1	N2	H2	H11	120.0°	120.0°
N2	PT1	N1	H3	180.0°	60.0°
N2	PT1	N1	H4	60.0°	180.0°
N2	PT1	O2	O1	90.0°	118.6°
N2	PT1	O1	C1	90.0°	85.5°
N2	PT1	O2	C2	90.0°	85.5°
N2	PT1	N1	H12	60.0°	60.0°
N1	PT1	N2	H1	180.0°	60.0°
N1	PT1	N2	H2	60.0°	180.0°
PT1	N1	H3	H4	120.0°	120.0°
PT1	N1	H3	H12	120.0°	120.0°
PT1	N1	H4	H12	120.0°	120.0°
N1	PT1	O2	O1	90.0°	118.7°
N1	PT1	O1	C1	90.0°	151.9°
N1	PT1	O2	C2	90.0°	151.8°
N1	PT1	N2	H11	60.0°	60.0°
H1	N2	H2	H11	120.0°	120.1°
H1	N2	PT1	O2	103.1°	177.3°
H1	N2	PT1	O1	103.1°	62.7°
H2	N2	PT1	O2	16.9°	57.3°
H2	N2	PT1	O1	16.9°	57.3°
H3	N1	H4	H12	120.0°	120.0°
H3	N1	PT1	O2	63.6°	62.7°
H3	N1	PT1	O1	63.6°	177.3°
H4	N1	PT1	O2	176.5°	57.3°
H4	N1	PT1	O1	176.5°	57.4°
O2	PT1	O1	C1	90.0°	33.1°
PT1	O2	C2	O3	90.0°	129.8°
PT1	O2	C2	C3	90.0°	50.0°
O2	PT1	N2	H11	136.9°	62.7°
O2	PT1	N1	H12	56.5°	177.3°
O1	PT1	O2	C2	90.0°	33.2°
PT1	O1	C1	C3	90.0°	50.2°
PT1	O1	C1	O4	90.0°	129.9°
O1	PT1	N2	H11	136.9°	177.3°
O1	PT1	N1	H12	56.5°	62.7°
O1	C1	C3	O4	90.0°	179.9°
O1	C1	C3	C2	90.0°	67.8°
O1	C1	C3	C7	90.0°	63.8°
O1	C1	C3	C5	90.0°	160.0°
O2	C2	C3	C1	90.0°	67.7°
O2	C2	O3	C3	90.0°	179.8°
O2	C2	C3	C7	90.0°	64.0°
O2	C2	C3	C5	90.0°	160.1°
C1	C3	C2	O3	90.0°	112.1°
C1	C3	C2	C7	90.0°	131.8°
C1	C3	C2	C5	90.0°	132.1°
C1	C3	C7	C5	90.0°	113.0°
C1	C3	C5	C6	90.0°	87.5°
C1	C3	C7	C6	90.0°	87.5°
C1	C3	C5	H5	90.0°	158.0°
C1	C3	C5	H6	90.0°	27.1°
C1	C3	C7	H9	90.0°	27.0°
C1	C3	C7	H10	90.0°	158.0°
O4	C1	C3	C2	90.0°	112.2°
O4	C1	C3	C7	90.0°	116.1°
O4	C1	C3	C5	90.0°	19.9°
O3	C2	C3	C7	90.0°	116.2°
O3	C2	C3	C5	90.0°	20.0°
C2	C3	C7	C5	90.0°	113.1°
C2	C3	C5	C6	90.0°	138.3°
C2	C3	C7	C6	90.0°	138.6°
C2	C3	C5	H5	90.0°	23.7°
C2	C3	C5	H6	90.0°	107.1°
C2	C3	C7	H9	90.0°	106.9°
C2	C3	C7	H10	90.0°	24.0°
C7	C3	C5	C6	90.0°	25.5°
C3	C7	C6	H9	90.0°	114.6°
C3	C7	C6	H10	90.0°	114.5°
C7	C3	C5	H5	90.0°	89.1°
C7	C3	C5	H6	90.0°	140.1°
C3	C7	C6	H7	90.0°	140.1°
C3	C7	C6	H8	90.0°	89.0°
C3	C7	H9	H10	90.0°	131.3°
C3	C5	C6	H5	90.0°	114.6°
C3	C5	C6	H6	90.0°	114.6°
C3	C5	H5	H6	90.0°	131.2°
C3	C5	C6	H7	90.0°	140.1°
C3	C5	C6	H8	90.0°	89.0°
C5	C3	C7	H9	90.0°	140.0°
C5	C3	C7	H10	90.0°	89.0°
C5	C6	C7	H7	90.0°	114.5°
C5	C6	C7	H8	90.0°	114.5°
C6	C5	H5	H6	90.0°	131.2°
C5	C6	H7	H8	90.0°	131.2°
C5	C6	C7	H9	90.0°	140.1°
C5	C6	C7	H10	90.0°	89.0°
C7	C6	C5	H5	90.0°	89.0°
C7	C6	C5	H6	90.0°	140.1°
C7	C6	H7	H8	90.0°	131.3°
C6	C7	H9	H10	90.0°	131.2°
H5	C5	C6	H7	90.0°	25.5°
H5	C5	C6	H8	90.0°	156.4°
H6	C5	C6	H7	90.0°	105.3°
H6	C5	C6	H8	90.0°	25.5°
H7	C6	C7	H9	90.0°	105.4°
H7	C6	C7	H10	90.0°	25.5°
H8	C6	C7	H9	90.0°	25.6°
H8	C6	C7	H10	90.0°	156.4°

Definition date:	2011-09-28
Last modified:	2025-11-11
Release status:	REL
Processing site:	RCSB
Derived from:	3TXH