TPT

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
PT1	N1	sing	0.00Å	2.03Å
PT1	N2	sing	0.00Å	2.00Å
PT1	N3	sing	0.00Å	2.05Å
N1	C1	sing	0.00Å	1.36Å	Aromatic
N1	C5	doub	0.00Å	1.38Å	Aromatic
N2	C6	doub	0.00Å	1.24Å	Aromatic
N2	C10	sing	0.00Å	1.39Å	Aromatic
N3	C11	sing	0.00Å	1.33Å	Aromatic
N3	C15	doub	0.00Å	1.37Å	Aromatic
C1	C2	doub	0.00Å	1.36Å	Aromatic
C1	H1	sing	0.00Å	1.08Å
C2	C3	sing	0.00Å	1.41Å	Aromatic
C2	H2	sing	0.00Å	1.08Å
C3	C4	doub	0.00Å	1.37Å	Aromatic
C3	H3	sing	0.00Å	1.08Å
C4	C5	sing	0.00Å	1.39Å	Aromatic
C4	H4	sing	0.00Å	1.08Å
C5	C6	sing	0.00Å	1.47Å
C6	C7	sing	0.00Å	1.43Å	Aromatic
C7	C8	doub	0.00Å	1.38Å	Aromatic
C7	H7	sing	0.00Å	1.08Å
C8	C9	sing	0.00Å	1.40Å	Aromatic
C8	H8	sing	0.00Å	1.08Å
C9	C10	doub	0.00Å	1.37Å	Aromatic
C9	H9	sing	0.00Å	1.08Å
C10	C11	sing	0.00Å	1.50Å
C11	C12	doub	0.00Å	1.39Å	Aromatic
C12	C13	sing	0.00Å	1.41Å	Aromatic
C12	H12	sing	0.00Å	1.08Å
C13	C14	doub	0.00Å	1.42Å	Aromatic
C13	H13	sing	0.00Å	1.08Å
C14	C15	sing	0.00Å	1.36Å	Aromatic
C14	H14	sing	0.00Å	1.08Å
C15	H15	sing	0.00Å	1.08Å
PT1	CL1	sing	0.00Å	21.32Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N1	PT1	N2	78.5°	90.0°
N1	PT1	N3	159.6°	90.0°
PT1	N1	C1	127.0°	90.0°
PT1	N1	C5	111.6°	90.0°
N1	PT1	CL1	69.0°	90.0°
N2	PT1	N3	81.4°	90.0°
PT1	N2	C6	121.0°	90.0°
PT1	N2	C10	112.6°	90.0°
N2	PT1	CL1	32.3°	90.0°
PT1	N3	C11	115.8°	90.0°
PT1	N3	C15	127.8°	90.0°
N3	PT1	CL1	91.9°	90.0°
C1	N1	C5	120.9°	90.0°
N1	C1	C2	120.9°	90.0°
N1	C1	H1	119.6°	90.0°
N1	C5	C4	118.4°	90.0°
N1	C5	C6	117.0°	90.0°
C6	N2	C10	126.1°	90.0°
N2	C6	C5	111.8°	90.0°
N2	C6	C7	121.9°	90.0°
N2	C10	C9	115.6°	90.0°
N2	C10	C11	117.0°	90.0°
C11	N3	C15	115.8°	90.0°
N3	C11	C10	112.6°	90.0°
N3	C11	C12	124.4°	90.0°
N3	C15	C14	123.9°	90.0°
N3	C15	H15	118.1°	90.0°
C2	C1	H1	119.6°	90.0°
C1	C2	C3	120.2°	90.0°
C1	C2	H2	119.9°	90.0°
C3	C2	H2	119.9°	90.0°
C2	C3	C4	117.9°	90.0°
C2	C3	H3	121.1°	90.0°
C4	C3	H3	121.0°	90.0°
C3	C4	C5	121.5°	90.0°
C3	C4	H4	119.2°	90.0°
C5	C4	H4	119.3°	90.0°
C4	C5	C6	124.6°	90.0°
C5	C6	C7	126.3°	90.0°
C6	C7	C8	113.4°	90.0°
C6	C7	H7	123.3°	90.0°
C8	C7	H7	123.3°	90.0°
C7	C8	C9	123.8°	90.0°
C7	C8	H8	118.1°	90.0°
C9	C8	H8	118.1°	90.0°
C8	C9	C10	118.4°	90.0°
C8	C9	H9	120.8°	90.0°
C10	C9	H9	120.8°	90.0°
C9	C10	C11	126.0°	90.0°
C10	C11	C12	122.4°	90.0°
C11	C12	C13	118.0°	90.0°
C11	C12	H12	121.0°	90.0°
C13	C12	H12	121.0°	90.0°
C12	C13	C14	117.0°	90.0°
C12	C13	H13	121.5°	90.0°
C14	C13	H13	121.5°	90.0°
C13	C14	C15	119.4°	90.0°
C13	C14	H14	120.3°	90.0°
C15	C14	H14	120.3°	90.0°
C14	C15	H15	118.1°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	PT1	N2	N3	176.5°	90.0°
N1	PT1	N2	CL1	68.8°	90.0°
N1	PT1	N3	CL1	20.7°	90.0°
PT1	N1	C1	C5	170.6°	90.0°
N1	PT1	N2	C6	2.4°	90.0°
N1	PT1	N2	C10	176.5°	90.0°
N1	PT1	N3	C11	15.5°	90.0°
N1	PT1	N3	C15	173.7°	90.0°
PT1	N1	C1	C2	175.8°	90.0°
PT1	N1	C1	H1	4.2°	90.0°
PT1	N1	C5	C4	175.9°	90.0°
PT1	N1	C5	C6	2.8°	90.0°
N2	PT1	N3	CL1	30.6°	90.0°
N2	PT1	N1	C1	173.9°	90.0°
N2	PT1	N1	C5	2.6°	90.0°
PT1	N2	C6	C10	173.2°	90.0°
N2	PT1	N3	C11	5.6°	90.0°
N2	PT1	N3	C15	176.3°	90.0°
PT1	N2	C6	C5	1.5°	90.0°
PT1	N2	C6	C7	179.4°	90.0°
PT1	N2	C10	C9	175.0°	90.0°
PT1	N2	C10	C11	7.8°	90.0°
N3	PT1	N1	C1	176.0°	90.0°
N3	PT1	N1	C5	12.7°	90.0°
N3	PT1	N2	C6	178.9°	90.0°
N3	PT1	N2	C10	7.0°	90.0°
PT1	N3	C11	C15	171.9°	90.0°
PT1	N3	C11	C10	2.9°	90.0°
PT1	N3	C11	C12	173.8°	90.0°
PT1	N3	C15	C14	179.7°	90.0°
PT1	N3	C15	H15	0.3°	90.0°
N1	C1	C2	H1	180.0°	90.0°
N1	C1	C2	C3	1.9°	90.0°
N1	C1	C2	H2	178.1°	90.0°
C1	N1	C5	C4	4.0°	90.0°
C1	N1	C5	C6	174.7°	90.0°
C1	N1	PT1	CL1	153.8°	90.0°
N1	C5	C6	N2	0.9°	90.0°
C5	N1	C1	C2	5.2°	90.0°
C5	N1	C1	H1	174.8°	90.0°
N1	C5	C4	C3	0.5°	90.0°
N1	C5	C4	C6	178.5°	90.0°
N1	C5	C4	H4	179.5°	90.0°
N1	C5	C6	C7	178.1°	90.0°
C5	N1	PT1	CL1	34.8°	90.0°
N2	C6	C5	C4	177.6°	90.0°
N2	C6	C5	C7	179.1°	90.0°
N2	C6	C7	C8	1.1°	90.0°
N2	C6	C7	H7	178.8°	90.0°
C6	N2	C10	C9	11.3°	90.0°
C6	N2	C10	C11	178.5°	90.0°
C6	N2	PT1	CL1	71.2°	90.0°
N2	C10	C11	N3	3.3°	90.0°
C10	N2	C6	C5	174.8°	90.0°
C10	N2	C6	C7	6.1°	90.0°
N2	C10	C9	C8	8.8°	90.0°
N2	C10	C9	C11	165.9°	90.0°
N2	C10	C9	H9	171.2°	90.0°
N2	C10	C11	C12	167.9°	90.0°
C10	N2	PT1	CL1	114.7°	90.0°
N3	C11	C10	C9	169.0°	90.0°
N3	C11	C10	C12	171.2°	90.0°
N3	C11	C12	C13	14.0°	90.0°
N3	C11	C12	H12	166.0°	90.0°
C11	N3	C15	C14	9.6°	90.0°
C11	N3	C15	H15	170.4°	90.0°
C11	N3	PT1	CL1	36.2°	90.0°
C15	N3	C11	C10	174.7°	90.0°
C15	N3	C11	C12	14.3°	90.0°
N3	C15	C14	C13	4.9°	90.0°
N3	C15	C14	H15	180.0°	90.0°
N3	C15	C14	H14	175.0°	90.0°
C15	N3	PT1	CL1	153.1°	90.0°
C1	C2	C3	H2	180.0°	90.0°
C1	C2	C3	C4	2.4°	90.0°
C1	C2	C3	H3	177.6°	90.0°
H1	C1	C2	C3	178.0°	90.0°
H1	C1	C2	H2	1.9°	90.0°
C2	C3	C4	H3	180.0°	90.0°
C2	C3	C4	C5	3.6°	90.0°
C2	C3	C4	H4	176.4°	90.0°
H2	C2	C3	C4	177.6°	90.0°
H2	C2	C3	H3	2.4°	90.0°
C3	C4	C5	H4	180.0°	90.0°
C3	C4	C5	C6	179.0°	90.0°
H3	C3	C4	C5	176.4°	90.0°
H3	C3	C4	H4	3.6°	90.0°
C4	C5	C6	C7	3.3°	90.0°
H4	C4	C5	C6	1.0°	90.0°
C5	C6	C7	C8	177.8°	90.0°
C5	C6	C7	H7	2.2°	90.0°
C6	C7	C8	H7	180.0°	90.0°
C6	C7	C8	C9	2.7°	90.0°
C6	C7	C8	H8	177.3°	90.0°
C7	C8	C9	H8	180.0°	90.0°
C7	C8	C9	C10	2.5°	90.0°
C7	C8	C9	H9	177.5°	90.0°
H7	C7	C8	C9	177.2°	90.0°
H7	C7	C8	H8	2.7°	90.0°
C8	C9	C10	H9	180.0°	90.0°
C8	C9	C10	C11	174.8°	90.0°
H8	C8	C9	C10	177.5°	90.0°
H8	C8	C9	H9	2.5°	90.0°
C9	C10	C11	C12	2.2°	90.0°
H9	C9	C10	C11	5.2°	90.0°
C10	C11	C12	C13	175.9°	90.0°
C10	C11	C12	H12	4.1°	90.0°
C11	C12	C13	H12	180.0°	90.0°
C11	C12	C13	C14	8.0°	90.0°
C11	C12	C13	H13	172.0°	90.0°
C12	C13	C14	H13	180.0°	90.0°
C12	C13	C14	C15	4.0°	90.0°
C12	C13	C14	H14	176.0°	90.0°
H12	C12	C13	C14	172.0°	90.0°
H12	C12	C13	H13	8.0°	90.0°
C13	C14	C15	H14	180.0°	90.0°
C13	C14	C15	H15	175.1°	90.0°
H13	C13	C14	C15	176.0°	90.0°
H13	C13	C14	H14	4.0°	90.0°
H14	C14	C15	H15	4.9°	90.0°

Definition date:	1999-10-07
Last modified:	2011-09-23
Release status:	REL
Processing site:	EBI
Derived from:	1QNQ