4TT

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C5	C10	doub	1.40Å	1.39Å	Aromatic
C5	C9	sing	1.42Å	1.40Å	Aromatic
C5	C2	sing	1.46Å	1.39Å	Aromatic
C6	C2	sing	1.50Å	1.51Å
C6	C11	sing	1.50Å	1.52Å
C7	C13	sing	1.40Å	1.39Å	Aromatic
C7	C3	doub	1.37Å	1.40Å	Aromatic
C7	C12	sing	1.50Å	1.51Å
C10	C16	sing	1.37Å	1.40Å	Aromatic
C13	N14	doub	1.31Å	1.35Å	Aromatic
C15	C17	sing	1.39Å	1.40Å	Aromatic
C15	C9	doub	1.39Å	1.40Å	Aromatic
C17	C16	doub	1.38Å	1.40Å	Aromatic
N4	C9	sing	1.36Å	1.35Å	Aromatic
N4	C1	sing	1.39Å	1.34Å	Aromatic
C1	C3	sing	1.48Å	1.40Å
C1	C2	doub	1.36Å	1.39Å	Aromatic
C3	N8	sing	1.37Å	1.35Å	Aromatic
N8	N14	sing	1.40Å	1.40Å	Aromatic
C11	C12	sing	1.50Å	1.52Å
C6	H6	sing	1.09Å	1.10Å
C6	H6A	sing	1.09Å	1.10Å
C10	H10	sing	1.08Å	1.08Å
C13	H13	sing	1.08Å	1.08Å
C15	H15	sing	1.08Å	1.08Å
C17	H17	sing	1.08Å	1.08Å
N4	HN4	sing	0.97Å	1.00Å
C16	H16	sing	1.08Å	1.08Å
N8	HN8	sing	0.97Å	1.00Å
C11	H11	sing	1.09Å	1.10Å
C11	H11A	sing	1.09Å	1.10Å
C12	H12	sing	1.09Å	1.10Å
C12	H12A	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C10	C5	C9	121.0°	121.6°
C10	C5	C2	130.0°	131.8°
C5	C10	C16	119.3°	116.7°
C5	C10	H10	120.4°	121.7°
C9	C5	C2	109.0°	106.6°
C5	C9	C15	119.2°	120.4°
C5	C9	N4	108.6°	107.3°
C5	C2	C6	126.6°	124.7°
C5	C2	C1	102.7°	106.8°
C2	C6	C11	110.0°	113.9°
C6	C2	C1	130.6°	128.5°
C2	C6	H6	109.3°	108.6°
C2	C6	H6A	109.3°	108.6°
C6	C11	C12	110.2°	114.6°
C11	C6	H6	109.3°	108.6°
C11	C6	H6A	109.3°	108.6°
C6	C11	H11	109.2°	108.5°
C6	C11	H11A	109.3°	108.5°
C13	C7	C3	104.8°	107.5°
C13	C7	C12	124.3°	124.3°
C7	C13	N14	107.0°	108.8°
C7	C13	H13	126.5°	125.6°
C3	C7	C12	130.9°	128.2°
C7	C3	C1	127.6°	129.4°
C7	C3	N8	113.1°	107.2°
C7	C12	C11	111.8°	113.3°
C7	C12	H12	108.7°	108.7°
C7	C12	H12A	108.7°	108.7°
C10	C16	C17	120.2°	122.0°
C16	C10	H10	120.3°	121.6°
C10	C16	H16	119.9°	119.0°
C13	N14	N8	112.4°	108.6°
N14	C13	H13	126.5°	125.6°
C17	C15	C9	120.2°	116.9°
C15	C17	C16	120.0°	122.4°
C17	C15	H15	119.9°	121.6°
C15	C17	H17	120.0°	118.8°
C15	C9	N4	132.2°	132.2°
C9	C15	H15	119.9°	121.5°
C16	C17	H17	120.0°	118.9°
C17	C16	H16	119.9°	119.0°
C9	N4	C1	106.5°	109.9°
C9	N4	HN4	126.8°	125.0°
N4	C1	C3	119.5°	122.3°
N4	C1	C2	113.2°	109.3°
C1	N4	HN4	126.8°	125.0°
C3	C1	C2	127.3°	128.3°
C1	C3	N8	119.3°	123.4°
C3	N8	N14	102.7°	107.8°
C3	N8	HN8	128.6°	126.1°
N14	N8	HN8	128.7°	126.1°
C12	C11	H11	109.2°	108.5°
C12	C11	H11A	109.2°	108.5°
C11	C12	H12	108.7°	108.8°
C11	C12	H12A	108.7°	108.7°
H6	C6	H6A	109.7°	108.4°
H11	C11	H11A	109.7°	108.3°
H12	C12	H12A	110.2°	108.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C10	C5	C9	C2	179.5°	179.7°
C10	C5	C2	C6	0.4°	0.4°
C5	C10	C16	H10	180.0°	179.9°
C10	C5	C9	C15	0.7°	0.1°
C5	C10	C16	C17	1.0°	0.0°
C10	C5	C9	N4	179.6°	179.8°
C10	C5	C2	C1	179.0°	179.8°
C5	C10	C16	H16	179.0°	180.0°
C9	C5	C2	C6	179.8°	179.3°
C9	C5	C10	C16	1.1°	0.0°
C5	C9	C15	C17	0.2°	0.1°
C5	C9	C15	N4	179.7°	179.9°
C5	C9	N4	C1	0.6°	0.2°
C9	C5	C2	C1	0.5°	0.5°
C9	C5	C10	H10	178.9°	179.9°
C5	C9	C15	H15	179.8°	179.9°
C5	C9	N4	HN4	179.4°	179.9°
C5	C2	C6	C1	179.2°	179.8°
C5	C2	C6	C11	141.2°	147.0°
C2	C5	C10	C16	179.5°	179.6°
C2	C5	C9	C15	179.8°	179.6°
C2	C5	C9	N4	0.1°	0.4°
C5	C2	C1	N4	0.9°	0.4°
C5	C2	C1	C3	179.3°	179.5°
C5	C2	C6	H6	21.2°	91.9°
C5	C2	C6	H6A	98.8°	25.8°
C2	C5	C10	H10	0.5°	0.5°
C2	C6	C11	H6	120.0°	121.1°
C2	C6	C11	H6A	120.0°	121.2°
C6	C2	C1	N4	179.8°	179.4°
C6	C2	C1	C3	1.4°	0.6°
C2	C6	C11	C12	82.5°	76.7°
C2	C6	H6	H6A	119.8°	117.9°
C2	C6	C11	H11	37.5°	162.0°
C2	C6	C11	H11A	157.4°	44.6°
C6	C11	C12	C7	78.0°	76.3°
C11	C6	C2	C1	38.0°	33.2°
C6	C11	C12	H11	120.0°	121.3°
C6	C11	C12	H11A	120.0°	121.3°
C11	C6	H6	H6A	119.8°	117.8°
C6	C11	H11	H11A	119.7°	117.5°
C6	C11	C12	H12	42.0°	162.6°
C6	C11	C12	H12A	161.9°	44.6°
C13	C7	C3	C12	179.0°	179.4°
C7	C13	N14	H13	180.0°	180.0°
C13	C7	C3	C1	178.6°	179.7°
C13	C7	C3	N8	0.1°	0.3°
C7	C13	N14	N8	0.1°	0.0°
C13	C7	C12	C11	150.3°	147.4°
C13	C7	C12	H12	89.7°	26.4°
C13	C7	C12	H12A	30.3°	91.6°
C3	C7	C13	N14	0.1°	0.1°
C7	C3	C1	N4	177.8°	179.8°
C7	C3	C1	N8	178.4°	179.9°
C7	C3	C1	C2	3.8°	0.1°
C7	C3	N8	N14	0.1°	0.3°
C3	C7	C12	C11	30.8°	33.2°
C3	C7	C13	H13	179.8°	179.9°
C7	C3	N8	HN8	179.9°	179.9°
C3	C7	C12	H12	89.2°	154.2°
C3	C7	C12	H12A	150.9°	87.8°
C12	C7	C13	N14	179.0°	179.3°
C12	C7	C3	C1	0.4°	0.9°
C12	C7	C3	N8	178.9°	179.2°
C7	C12	C11	H12	120.0°	121.0°
C7	C12	C11	H12A	120.0°	121.0°
C12	C7	C13	H13	1.1°	0.6°
C7	C12	C11	H11	42.0°	162.3°
C7	C12	C11	H11A	161.9°	44.9°
C7	C12	H12	H12A	119.0°	118.1°
C10	C16	C17	C15	0.5°	0.0°
C10	C16	C17	H16	180.0°	180.0°
C10	C16	C17	H17	179.5°	179.9°
C13	N14	N8	C3	0.0°	0.2°
C13	N14	N8	HN8	180.0°	180.0°
C17	C15	C9	H15	180.0°	180.0°
C15	C17	C16	H17	180.0°	179.9°
C17	C15	C9	N4	179.9°	179.8°
C15	C17	C16	H16	179.5°	180.0°
C9	C15	C17	C16	0.1°	0.0°
C15	C9	N4	C1	179.7°	179.8°
C9	C15	C17	H17	179.9°	180.0°
C15	C9	N4	HN4	0.3°	0.1°
C17	C16	C10	H10	179.0°	180.0°
C16	C17	C15	H15	179.9°	180.0°
C9	N4	C1	HN4	180.0°	179.9°
C9	N4	C1	C3	179.5°	179.8°
C9	N4	C1	C2	0.9°	0.1°
N4	C9	C15	H15	0.1°	0.1°
N4	C1	C3	C2	178.3°	179.9°
N4	C1	C3	N8	3.8°	0.1°
C1	C3	N8	N14	178.7°	179.7°
C3	C1	N4	HN4	0.5°	0.3°
C1	C3	N8	HN8	1.3°	0.2°
C2	C1	C3	N8	174.6°	180.0°
C1	C2	C6	H6	158.0°	87.9°
C1	C2	C6	H6A	82.0°	154.4°
C2	C1	N4	HN4	179.1°	179.8°
C3	N8	N14	HN8	180.0°	179.8°
N8	N14	C13	H13	179.9°	179.9°
C12	C11	C6	H6	157.5°	44.4°
C12	C11	C6	H6A	37.5°	162.1°
C12	C11	H11	H11A	119.7°	117.5°
C11	C12	H12	H12A	119.1°	118.2°
H6	C6	C11	H11	82.5°	76.9°
H6	C6	C11	H11A	37.5°	165.7°
H6A	C6	C11	H11	157.5°	40.8°
H6A	C6	C11	H11A	82.6°	76.6°
H10	C10	C16	H16	1.0°	0.1°
H15	C15	C17	H17	0.1°	0.1°
H17	C17	C16	H16	0.5°	0.1°
H11	C11	C12	H12	162.0°	41.3°
H11	C11	C12	H12A	78.0°	76.7°
H11A	C11	C12	H12	78.0°	76.1°
H11A	C11	C12	H12A	41.9°	165.9°

Definition date:	2011-11-11
Last modified:	2012-08-10
Release status:	REL
Processing site:	PDBJ
Derived from:	3VID