1WT

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C12	N5	sing	0.00Å	1.49Å
C4	C3	doub	0.00Å	1.41Å	Aromatic
C4	C4A	sing	0.00Å	1.43Å	Aromatic
C3	C2	sing	0.00Å	1.40Å	Aromatic
N5	C4A	sing	0.00Å	1.46Å
N5	C6	sing	0.00Å	1.41Å
C4A	C11	doub	0.00Å	1.42Å	Aromatic
C2	N1	doub	0.00Å	1.38Å	Aromatic
O13	C6	doub	0.00Å	1.23Å
C6	C6A	sing	0.00Å	1.50Å
C11	N1	sing	0.00Å	1.39Å	Aromatic
C11	N11	sing	0.00Å	1.43Å
C28	C27	doub	0.00Å	1.42Å	Aromatic
C28	C29	sing	0.00Å	1.41Å	Aromatic
C27	C26	sing	0.00Å	1.42Å	Aromatic
N11	C10	sing	0.00Å	1.44Å
N11	C14	sing	0.00Å	1.50Å
C6A	C10	doub	0.00Å	1.41Å	Aromatic
C6A	C7	sing	0.00Å	1.45Å	Aromatic
C29	C25	doub	0.00Å	1.43Å	Aromatic
C26	C24	doub	0.00Å	1.43Å	Aromatic
C10	N10	sing	0.00Å	1.40Å	Aromatic
C14	C15	sing	0.00Å	1.54Å
C7	C8	doub	0.00Å	1.43Å	Aromatic
C25	C24	sing	0.00Å	1.46Å	Aromatic
C25	C19	sing	0.00Å	1.42Å	Aromatic
C24	N22	sing	0.00Å	1.45Å	Aromatic
N10	C9	doub	0.00Å	1.36Å	Aromatic
C8	C9	sing	0.00Å	1.39Å	Aromatic
C8	C16	sing	0.00Å	1.52Å
O18	C19	sing	0.00Å	1.39Å
O18	C17	sing	0.00Å	1.43Å
C19	C20	doub	0.00Å	1.44Å	Aromatic
N22	O23	sing	0.00Å	1.31Å
N22	C21	doub	0.00Å	1.39Å	Aromatic
C16	C17	sing	0.00Å	1.50Å
C20	C21	sing	0.00Å	1.39Å	Aromatic
C2	H1	sing	0.00Å	1.08Å
C3	H2	sing	0.00Å	1.08Å
C4	H3	sing	0.00Å	1.08Å
C7	H4	sing	0.00Å	1.08Å
C9	H5	sing	0.00Å	1.08Å
C12	H6	sing	0.00Å	1.10Å
C12	H7	sing	0.00Å	1.10Å
C12	H8	sing	0.00Å	1.10Å
C14	H9	sing	0.00Å	1.10Å
C14	H10	sing	0.00Å	1.10Å
C15	H11	sing	0.00Å	1.10Å
C15	H12	sing	0.00Å	1.10Å
C15	H13	sing	0.00Å	1.10Å
C16	H14	sing	0.00Å	1.10Å
C16	H15	sing	0.00Å	1.10Å
C17	H16	sing	0.00Å	1.10Å
C17	H17	sing	0.00Å	1.10Å
C20	H18	sing	0.00Å	1.08Å
C21	H19	sing	0.00Å	1.08Å
O23	H20	sing	0.00Å	0.95Å
C26	H21	sing	0.00Å	1.08Å
C27	H22	sing	0.00Å	1.08Å
C28	H23	sing	0.00Å	1.08Å
C29	H24	sing	0.00Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C12	N5	C4A	117.8°	90.0°
C12	N5	C6	116.6°	90.0°
N5	C12	H6	109.5°	90.0°
N5	C12	H7	109.4°	90.0°
N5	C12	H8	109.4°	90.0°
C3	C4	C4A	122.0°	90.0°
C4	C3	C2	117.6°	90.0°
C4	C3	H2	121.2°	90.0°
C3	C4	H3	119.0°	90.0°
C4	C4A	N5	120.9°	90.0°
C4	C4A	C11	116.8°	90.0°
C4A	C4	H3	119.0°	90.0°
C3	C2	N1	122.3°	90.0°
C3	C2	H1	118.8°	90.0°
C2	C3	H2	121.2°	90.0°
C4A	N5	C6	125.6°	90.0°
N5	C4A	C11	122.3°	90.0°
N5	C6	O13	122.3°	90.0°
N5	C6	C6A	123.0°	90.0°
C4A	C11	N1	121.4°	90.0°
C4A	C11	N11	118.5°	90.0°
C2	N1	C11	119.8°	90.0°
N1	C2	H1	118.8°	90.0°
O13	C6	C6A	114.7°	90.0°
C6	C6A	C10	121.8°	90.0°
C6	C6A	C7	120.1°	90.0°
N1	C11	N11	120.1°	90.0°
C11	N11	C10	112.5°	90.0°
C11	N11	C14	115.5°	90.0°
C27	C28	C29	119.1°	90.0°
C28	C27	C26	120.7°	90.0°
C28	C27	H22	119.7°	90.0°
C27	C28	H23	120.5°	90.0°
C28	C29	C25	121.7°	90.0°
C29	C28	H23	120.5°	90.0°
C28	C29	H24	119.2°	90.0°
C27	C26	C24	121.6°	90.0°
C27	C26	H21	119.2°	90.0°
C26	C27	H22	119.6°	90.0°
C10	N11	C14	114.5°	90.0°
N11	C10	C6A	119.8°	90.0°
N11	C10	N10	119.6°	90.0°
N11	C14	C15	110.5°	90.0°
N11	C14	H9	109.2°	90.0°
N11	C14	H10	109.2°	90.0°
C10	C6A	C7	118.1°	90.0°
C6A	C10	N10	120.6°	90.0°
C6A	C7	C8	120.6°	90.0°
C6A	C7	H4	119.7°	90.0°
C29	C25	C24	119.3°	90.0°
C29	C25	C19	122.1°	90.0°
C25	C29	H24	119.2°	90.0°
C26	C24	C25	117.8°	90.0°
C26	C24	N22	122.4°	90.0°
C24	C26	H21	119.2°	90.0°
C10	N10	C9	119.9°	90.0°
C15	C14	H9	109.2°	90.0°
C15	C14	H10	109.2°	90.0°
C14	C15	H11	109.5°	90.0°
C14	C15	H12	109.5°	90.0°
C14	C15	H13	109.5°	90.0°
C7	C8	C9	116.8°	90.0°
C7	C8	C16	123.8°	90.0°
C8	C7	H4	119.7°	90.0°
C24	C25	C19	118.6°	90.0°
C25	C24	N22	119.8°	90.0°
C25	C19	O18	116.1°	90.0°
C25	C19	C20	119.7°	90.0°
C24	N22	O23	123.1°	90.0°
C24	N22	C21	119.1°	90.0°
N10	C9	C8	124.1°	90.0°
N10	C9	H5	118.0°	90.0°
C9	C8	C16	119.4°	90.0°
C8	C9	H5	118.0°	90.0°
C8	C16	C17	110.9°	90.0°
C8	C16	H14	109.1°	90.0°
C8	C16	H15	109.1°	90.0°
C19	O18	C17	118.7°	90.0°
O18	C19	C20	124.3°	90.0°
O18	C17	C16	105.9°	90.0°
O18	C17	H16	110.4°	90.0°
O18	C17	H17	110.3°	90.0°
C19	C20	C21	120.9°	90.0°
C19	C20	H18	119.6°	90.0°
O23	N22	C21	117.8°	90.0°
N22	O23	H20	109.5°	90.0°
N22	C21	C20	121.9°	90.0°
N22	C21	H19	119.1°	90.0°
C17	C16	H14	109.1°	90.0°
C17	C16	H15	109.1°	90.0°
C16	C17	H16	110.3°	90.0°
C16	C17	H17	110.4°	90.0°
C21	C20	H18	119.5°	90.0°
C20	C21	H19	119.0°	90.0°
H6	C12	H7	109.5°	90.0°
H6	C12	H8	109.5°	90.0°
H7	C12	H8	109.5°	90.0°
H9	C14	H10	109.5°	90.0°
H11	C15	H12	109.4°	90.0°
H11	C15	H13	109.5°	90.0°
H12	C15	H13	109.5°	90.0°
H14	C16	H15	109.4°	90.0°
H16	C17	H17	109.5°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C12	N5	C4A	C4	40.3°	90.0°
C12	N5	C4A	C6	178.8°	90.0°
C12	N5	C4A	C11	140.9°	90.0°
C12	N5	C6	O13	0.7°	90.0°
C12	N5	C6	C6A	179.9°	90.0°
N5	C12	H6	H7	120.0°	90.0°
N5	C12	H6	H8	120.0°	90.0°
N5	C12	H7	H8	120.0°	90.0°
C3	C4	C4A	H3	180.0°	90.0°
C4	C3	C2	H2	180.0°	90.0°
C3	C4	C4A	N5	179.2°	90.0°
C3	C4	C4A	C11	0.4°	90.0°
C4	C3	C2	N1	0.1°	90.0°
C4	C3	C2	H1	179.9°	90.0°
C4A	C4	C3	C2	0.1°	90.0°
C4	C4A	N5	C11	178.7°	90.0°
C4	C4A	N5	C6	138.4°	90.0°
C4	C4A	C11	N1	0.5°	90.0°
C4	C4A	C11	N11	178.9°	90.0°
C4A	C4	C3	H2	179.9°	90.0°
C3	C2	N1	H1	180.0°	90.0°
C3	C2	N1	C11	0.1°	90.0°
C2	C3	C4	H3	179.9°	90.0°
C4A	N5	C6	O13	179.5°	90.0°
C4A	N5	C6	C6A	1.3°	90.0°
N5	C4A	C11	N1	179.3°	90.0°
N5	C4A	C11	N11	0.1°	90.0°
N5	C4A	C4	H3	0.8°	90.0°
C4A	N5	C12	H6	180.0°	90.0°
C4A	N5	C12	H7	60.0°	90.0°
C4A	N5	C12	H8	60.0°	90.0°
C6	N5	C4A	C11	40.3°	90.0°
N5	C6	O13	C6A	179.2°	90.0°
N5	C6	C6A	C10	38.8°	90.0°
N5	C6	C6A	C7	141.0°	90.0°
C6	N5	C12	H6	1.1°	90.0°
C6	N5	C12	H7	121.1°	90.0°
C6	N5	C12	H8	118.9°	90.0°
C4A	C11	N1	C2	0.3°	90.0°
C4A	C11	N1	N11	179.4°	90.0°
C4A	C11	N11	C10	70.4°	90.0°
C4A	C11	N11	C14	155.6°	90.0°
C11	C4A	C4	H3	179.6°	90.0°
C2	N1	C11	N11	179.1°	90.0°
N1	C2	C3	H2	179.9°	90.0°
O13	C6	C6A	C10	140.4°	90.0°
O13	C6	C6A	C7	39.8°	90.0°
C6	C6A	C10	N11	0.6°	90.0°
C6	C6A	C10	C7	179.8°	90.0°
C6	C6A	C10	N10	179.9°	90.0°
C6	C6A	C7	C8	179.9°	90.0°
C6	C6A	C7	H4	0.1°	90.0°
N1	C11	N11	C10	109.1°	90.0°
N1	C11	N11	C14	25.0°	90.0°
C11	N1	C2	H1	180.0°	90.0°
C11	N11	C10	C14	134.5°	90.0°
C11	N11	C10	C6A	70.1°	90.0°
C11	N11	C10	N10	109.4°	90.0°
C11	N11	C14	C15	157.5°	90.0°
C11	N11	C14	H9	82.4°	90.0°
C11	N11	C14	H10	37.3°	90.0°
C27	C28	C29	H23	180.0°	90.0°
C28	C27	C26	H22	180.0°	90.0°
C27	C28	C29	C25	0.1°	90.0°
C28	C27	C26	C24	0.0°	90.0°
C28	C27	C26	H21	180.0°	90.0°
C27	C28	C29	H24	179.9°	90.0°
C29	C28	C27	C26	0.0°	90.0°
C28	C29	C25	H24	180.0°	90.0°
C28	C29	C25	C24	0.2°	90.0°
C28	C29	C25	C19	179.9°	90.0°
C29	C28	C27	H22	180.0°	90.0°
C27	C26	C24	H21	180.0°	90.0°
C27	C26	C24	C25	0.1°	90.0°
C27	C26	C24	N22	179.8°	90.0°
C26	C27	C28	H23	180.0°	90.0°
N11	C10	C6A	N10	179.5°	90.0°
N11	C10	C6A	C7	179.2°	90.0°
C10	N11	C14	C15	69.4°	90.0°
N11	C10	N10	C9	179.3°	90.0°
C10	N11	C14	H9	50.7°	90.0°
C10	N11	C14	H10	170.5°	90.0°
C14	N11	C10	C6A	155.4°	90.0°
C14	N11	C10	N10	25.1°	90.0°
N11	C14	C15	H9	120.1°	90.0°
N11	C14	C15	H10	120.1°	90.0°
N11	C14	H9	H10	119.5°	90.0°
N11	C14	C15	H11	180.0°	90.0°
N11	C14	C15	H12	60.0°	90.0°
N11	C14	C15	H13	60.0°	90.0°
C10	C6A	C7	C8	0.1°	90.0°
C6A	C10	N10	C9	0.2°	90.0°
C10	C6A	C7	H4	179.9°	90.0°
C7	C6A	C10	N10	0.3°	90.0°
C6A	C7	C8	H4	180.0°	90.0°
C6A	C7	C8	C9	0.3°	90.0°
C6A	C7	C8	C16	179.5°	90.0°
C29	C25	C24	C26	0.2°	90.0°
C29	C25	C24	C19	179.8°	90.0°
C29	C25	C24	N22	180.0°	90.0°
C29	C25	C19	O18	0.2°	90.0°
C29	C25	C19	C20	180.0°	90.0°
C25	C29	C28	H23	179.9°	90.0°
C26	C24	C25	N22	179.7°	90.0°
C26	C24	C25	C19	179.9°	90.0°
C26	C24	N22	O23	0.1°	90.0°
C26	C24	N22	C21	179.9°	90.0°
C24	C26	C27	H22	180.0°	90.0°
C10	N10	C9	C8	0.2°	90.0°
C10	N10	C9	H5	179.8°	90.0°
C15	C14	H9	H10	119.5°	90.0°
C14	C15	H11	H12	120.0°	90.0°
C14	C15	H11	H13	120.0°	90.0°
C14	C15	H12	H13	120.0°	90.0°
C7	C8	C9	N10	0.4°	90.0°
C7	C8	C9	C16	179.8°	90.0°
C7	C8	C16	C17	84.9°	90.0°
C7	C8	C9	H5	179.6°	90.0°
C7	C8	C16	H14	35.3°	90.0°
C7	C8	C16	H15	154.9°	90.0°
C24	C25	C19	O18	179.9°	90.0°
C24	C25	C19	C20	0.2°	90.0°
C25	C24	N22	O23	179.8°	90.0°
C25	C24	N22	C21	0.2°	90.0°
C25	C24	C26	H21	179.9°	90.0°
C24	C25	C29	H24	179.8°	90.0°
C19	C25	C24	N22	0.2°	90.0°
C25	C19	O18	C20	179.7°	90.0°
C25	C19	O18	C17	161.5°	90.0°
C25	C19	C20	C21	0.2°	90.0°
C25	C19	C20	H18	179.8°	90.0°
C19	C25	C29	H24	0.1°	90.0°
C24	N22	O23	C21	180.0°	90.0°
C24	N22	C21	C20	0.2°	90.0°
C24	N22	C21	H19	179.9°	90.0°
C24	N22	O23	H20	180.0°	90.0°
N22	C24	C26	H21	0.1°	90.0°
N10	C9	C8	H5	180.0°	90.0°
N10	C9	C8	C16	179.4°	90.0°
C9	C8	C16	C17	95.3°	90.0°
C9	C8	C7	H4	179.7°	90.0°
C9	C8	C16	H14	144.5°	90.0°
C9	C8	C16	H15	24.9°	90.0°
C8	C16	C17	O18	70.8°	90.0°
C8	C16	C17	H14	120.2°	90.0°
C8	C16	C17	H15	120.2°	90.0°
C16	C8	C7	H4	0.5°	90.0°
C16	C8	C9	H5	0.6°	90.0°
C8	C16	H14	H15	119.3°	90.0°
C8	C16	C17	H16	48.6°	90.0°
C8	C16	C17	H17	169.7°	90.0°
C19	O18	C17	C16	165.5°	90.0°
O18	C19	C20	C21	179.9°	90.0°
C19	O18	C17	H16	46.1°	90.0°
C19	O18	C17	H17	75.0°	90.0°
O18	C19	C20	H18	0.1°	90.0°
C17	O18	C19	C20	18.7°	90.0°
O18	C17	C16	H16	119.5°	90.0°
O18	C17	C16	H17	119.4°	90.0°
O18	C17	C16	H14	49.4°	90.0°
O18	C17	C16	H15	168.9°	90.0°
O18	C17	H16	H17	121.6°	90.0°
C19	C20	C21	N22	0.2°	90.0°
C19	C20	C21	H18	180.0°	90.0°
C19	C20	C21	H19	179.9°	90.0°
O23	N22	C21	C20	179.9°	90.0°
O23	N22	C21	H19	0.1°	90.0°
N22	C21	C20	H19	180.0°	90.0°
N22	C21	C20	H18	179.9°	90.0°
C21	N22	O23	H20	0.0°	90.0°
C17	C16	H14	H15	119.3°	90.0°
C16	C17	H16	H17	121.6°	90.0°
H1	C2	C3	H2	0.1°	90.0°
H2	C3	C4	H3	0.1°	90.0°
H6	C12	H7	H8	120.0°	90.0°
H9	C14	C15	H11	59.9°	90.0°
H9	C14	C15	H12	179.9°	90.0°
H9	C14	C15	H13	60.2°	90.0°
H10	C14	C15	H11	59.8°	90.0°
H10	C14	C15	H12	60.1°	90.0°
H10	C14	C15	H13	179.9°	90.0°
H11	C15	H12	H13	120.0°	90.0°
H14	C16	C17	H16	168.9°	90.0°
H14	C16	C17	H17	70.0°	90.0°
H15	C16	C17	H16	71.6°	90.0°
H15	C16	C17	H17	49.5°	90.0°
H18	C20	C21	H19	0.1°	90.0°
H21	C26	C27	H22	0.0°	90.0°
H22	C27	C28	H23	0.0°	90.0°
H23	C28	C29	H24	0.1°	90.0°

Release date:	2013-07-31
Definition date:	2013-07-12
Last modified:	2013-07-26
Release status:	REL
Processing site:	RCSB
Derived from:	4KV8