TT1

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C26	C25	doub	1.38Å	1.54Å	Aromatic
C26	C20	sing	1.38Å	1.43Å	Aromatic
C25	C24	sing	1.38Å	1.41Å	Aromatic
C24	C23	doub	1.38Å	1.42Å	Aromatic
C23	C21	sing	1.38Å	1.44Å	Aromatic
C21	CL22	sing	1.74Å	1.74Å
C21	C20	doub	1.38Å	1.46Å	Aromatic
C20	C8	sing	1.51Å	1.58Å
C8	S9	sing	1.81Å	1.82Å
S9	C10	sing	1.76Å	1.80Å
C10	N19	doub	1.31Å	1.28Å	Aromatic
C10	N11	sing	1.37Å	1.30Å	Aromatic
N19	N18	sing	1.28Å	1.35Å	Aromatic
N18	C12	doub	1.31Å	1.27Å	Aromatic
C12	C13	sing	1.47Å	1.48Å	Aromatic
C12	N11	sing	1.38Å	1.31Å	Aromatic
C13	C17	doub	1.35Å	1.33Å	Aromatic
C13	S14	sing	1.76Å	1.79Å	Aromatic
C17	C16	sing	1.38Å	1.47Å	Aromatic
C16	C15	doub	1.34Å	1.34Å	Aromatic
C15	S14	sing	1.76Å	1.79Å	Aromatic
N11	C1	sing	1.47Å	1.48Å
C1	C2	sing	1.51Å	1.53Å
C2	C7	doub	1.38Å	1.44Å	Aromatic
C2	C3	sing	1.38Å	1.46Å	Aromatic
C7	C6	sing	1.38Å	1.44Å	Aromatic
C6	C5	doub	1.38Å	1.45Å	Aromatic
C5	C4	sing	1.38Å	1.44Å	Aromatic
C4	C3	doub	1.38Å	1.44Å	Aromatic
C26	H26	sing	1.08Å	1.08Å
C25	H25	sing	1.08Å	1.08Å
C24	H24	sing	1.08Å	1.08Å
C23	H23	sing	1.08Å	1.08Å
C8	H8	sing	1.09Å	1.10Å
C8	H8A	sing	1.09Å	1.10Å
C17	H17	sing	1.08Å	1.08Å
C16	H16	sing	1.08Å	1.08Å
C15	H15	sing	1.08Å	1.08Å
C1	H1	sing	1.09Å	1.10Å
C1	H1A	sing	1.09Å	1.10Å
C7	H7	sing	1.08Å	1.08Å
C6	H6	sing	1.08Å	1.08Å
C5	H5	sing	1.08Å	1.08Å
C4	H4	sing	1.08Å	1.08Å
C3	H3	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C25	C26	C20	119.5°	120.0°
C26	C25	C24	119.5°	120.0°
C25	C26	H26	120.2°	120.0°
C26	C25	H25	120.3°	120.0°
C26	C20	C21	118.1°	120.0°
C26	C20	C8	120.3°	120.0°
C20	C26	H26	120.3°	120.0°
C25	C24	C23	119.9°	120.0°
C24	C25	H25	120.3°	120.0°
C25	C24	H24	120.0°	120.0°
C24	C23	C21	121.5°	120.0°
C23	C24	H24	120.0°	120.0°
C24	C23	H23	119.3°	120.0°
C23	C21	CL22	117.2°	120.0°
C23	C21	C20	121.5°	120.0°
C21	C23	H23	119.2°	120.0°
CL22	C21	C20	121.2°	120.0°
C21	C20	C8	121.6°	120.0°
C20	C8	S9	112.8°	109.5°
C20	C8	H8	108.4°	109.5°
C20	C8	H8A	107.6°	109.5°
C8	S9	C10	98.6°	100.0°
S9	C8	H8	108.4°	109.4°
S9	C8	H8A	107.6°	109.5°
S9	C10	N19	124.8°	126.4°
S9	C10	N11	122.5°	126.4°
N19	C10	N11	112.7°	107.2°
C10	N19	N18	106.4°	110.2°
C10	N11	C12	102.5°	105.6°
C10	N11	C1	127.7°	127.2°
N19	N18	C12	104.9°	110.0°
N18	C12	C13	120.4°	126.5°
N18	C12	N11	113.5°	107.0°
C13	C12	N11	126.1°	126.5°
C12	C13	C17	124.1°	125.3°
C12	C13	S14	122.8°	125.3°
C12	N11	C1	129.8°	127.2°
C17	C13	S14	113.1°	109.4°
C13	C17	C16	112.6°	114.7°
C13	C17	H17	123.7°	122.7°
C13	S14	C15	88.7°	91.0°
C17	C16	C15	112.6°	115.0°
C16	C17	H17	123.7°	122.6°
C17	C16	H16	123.7°	122.5°
C16	C15	S14	113.0°	109.8°
C15	C16	H16	123.7°	122.5°
C16	C15	H15	123.5°	125.1°
S14	C15	H15	123.5°	125.1°
N11	C1	C2	113.8°	109.4°
N11	C1	H1	108.1°	109.5°
N11	C1	H1A	107.0°	109.5°
C1	C2	C7	121.8°	120.0°
C1	C2	C3	118.4°	120.0°
C2	C1	H1	108.0°	109.4°
C2	C1	H1A	107.0°	109.5°
C7	C2	C3	119.7°	120.0°
C2	C7	C6	120.4°	120.0°
C2	C7	H7	119.8°	120.0°
C2	C3	C4	120.2°	120.0°
C2	C3	H3	119.9°	120.0°
C7	C6	C5	119.4°	120.0°
C6	C7	H7	119.8°	120.0°
C7	C6	H6	120.3°	120.0°
C6	C5	C4	120.5°	120.0°
C5	C6	H6	120.3°	120.0°
C6	C5	H5	119.8°	120.1°
C5	C4	C3	119.8°	120.0°
C4	C5	H5	119.8°	120.0°
C5	C4	H4	120.1°	120.0°
C3	C4	H4	120.1°	120.0°
C4	C3	H3	119.9°	120.0°
H8	C8	H8A	112.1°	109.5°
H1	C1	H1A	112.9°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C25	C26	C20	H26	180.0°	179.8°
C26	C25	C24	H25	180.0°	180.0°
C26	C25	C24	C23	0.1°	0.0°
C25	C26	C20	C21	0.2°	0.0°
C25	C26	C20	C8	180.0°	180.0°
C26	C25	C24	H24	179.9°	180.0°
C20	C26	C25	C24	0.0°	0.0°
C26	C20	C21	C23	0.3°	0.0°
C26	C20	C21	CL22	179.7°	180.0°
C26	C20	C21	C8	179.8°	179.9°
C26	C20	C8	S9	63.8°	90.1°
C20	C26	C25	H25	180.0°	180.0°
C26	C20	C8	H8	176.2°	150.0°
C26	C20	C8	H8A	54.8°	30.0°
C25	C24	C23	H24	180.0°	179.9°
C25	C24	C23	C21	0.1°	0.0°
C24	C25	C26	H26	180.0°	179.8°
C25	C24	C23	H23	179.9°	180.0°
C24	C23	C21	H23	180.0°	180.0°
C24	C23	C21	CL22	179.9°	180.0°
C24	C23	C21	C20	0.1°	0.0°
C23	C24	C25	H25	179.9°	180.0°
C23	C21	CL22	C20	180.0°	180.0°
C23	C21	C20	C8	179.9°	180.0°
C21	C23	C24	H24	179.9°	180.0°
CL22	C21	C20	C8	0.1°	0.0°
CL22	C21	C23	H23	0.1°	0.0°
C21	C20	C8	S9	116.4°	90.0°
C21	C20	C26	H26	179.8°	179.8°
C20	C21	C23	H23	179.9°	180.0°
C21	C20	C8	H8	3.6°	29.9°
C21	C20	C8	H8A	125.1°	150.0°
C20	C8	S9	H8	120.0°	119.9°
C20	C8	S9	H8A	118.6°	120.0°
C20	C8	S9	C10	95.2°	180.0°
C8	C20	C26	H26	0.1°	0.2°
C20	C8	H8	H8A	118.6°	120.0°
C8	S9	C10	N19	21.6°	0.0°
C8	S9	C10	N11	158.3°	179.7°
S9	C8	H8	H8A	118.6°	120.0°
S9	C10	N19	N11	179.9°	179.8°
S9	C10	N19	N18	179.9°	180.0°
S9	C10	N11	C12	179.9°	179.9°
S9	C10	N11	C1	0.0°	0.0°
C10	S9	C8	H8	24.8°	60.0°
C10	S9	C8	H8A	146.2°	60.0°
C10	N19	N18	C12	0.0°	0.0°
N19	C10	N11	C12	0.0°	0.4°
N19	C10	N11	C1	179.9°	179.8°
N11	C10	N19	N18	0.0°	0.2°
C10	N11	C12	N18	0.0°	0.4°
C10	N11	C12	C13	180.0°	179.9°
C10	N11	C12	C1	179.9°	179.9°
C10	N11	C1	C2	88.6°	84.8°
C10	N11	C1	H1	31.4°	35.1°
C10	N11	C1	H1A	153.4°	155.2°
N19	N18	C12	C13	180.0°	180.0°
N19	N18	C12	N11	0.0°	0.2°
N18	C12	C13	N11	180.0°	179.7°
N18	C12	C13	C17	55.7°	16.9°
N18	C12	C13	S14	124.8°	163.5°
N18	C12	N11	C1	179.9°	179.8°
C12	C13	C17	S14	179.5°	179.7°
C12	C13	C17	C16	179.5°	180.0°
C12	C13	S14	C15	179.5°	180.0°
C13	C12	N11	C1	0.1°	0.0°
C12	C13	C17	H17	0.5°	0.2°
N11	C12	C13	C17	124.3°	162.8°
N11	C12	C13	S14	55.2°	16.8°
C12	N11	C1	C2	91.6°	95.4°
C12	N11	C1	H1	148.4°	144.7°
C12	N11	C1	H1A	26.5°	24.6°
C13	C17	C16	H17	180.0°	179.9°
C13	C17	C16	C15	0.0°	0.1°
C17	C13	S14	C15	0.1°	0.3°
C13	C17	C16	H16	180.0°	180.0°
S14	C13	C17	C16	0.1°	0.3°
C13	S14	C15	C16	0.0°	0.3°
S14	C13	C17	H17	179.9°	179.8°
C13	S14	C15	H15	180.0°	179.9°
C17	C16	C15	H16	180.0°	180.0°
C17	C16	C15	S14	0.0°	0.2°
C17	C16	C15	H15	180.0°	180.0°
C16	C15	S14	H15	180.0°	179.8°
C15	C16	C17	H17	179.9°	180.0°
S14	C15	C16	H16	180.0°	179.8°
N11	C1	C2	H1	120.0°	120.0°
N11	C1	C2	H1A	118.1°	120.0°
N11	C1	C2	C7	43.9°	95.2°
N11	C1	C2	C3	136.4°	85.1°
N11	C1	H1	H1A	118.2°	120.0°
C1	C2	C7	C3	179.6°	179.7°
C1	C2	C7	C6	179.6°	180.0°
C1	C2	C3	C4	179.6°	179.8°
C2	C1	H1	H1A	118.2°	120.0°
C1	C2	C7	H7	0.4°	0.0°
C1	C2	C3	H3	0.4°	0.0°
C2	C7	C6	H7	180.0°	180.0°
C2	C7	C6	C5	0.1°	0.1°
C7	C2	C3	C4	0.1°	0.5°
C7	C2	C1	H1	164.0°	24.8°
C7	C2	C1	H1A	74.1°	144.8°
C2	C7	C6	H6	179.9°	180.0°
C7	C2	C3	H3	179.9°	179.8°
C3	C2	C7	C6	0.0°	0.2°
C2	C3	C4	C5	0.1°	0.4°
C2	C3	C4	H3	180.0°	179.8°
C3	C2	C1	H1	16.4°	154.9°
C3	C2	C1	H1A	105.5°	34.9°
C3	C2	C7	H7	180.0°	179.7°
C2	C3	C4	H4	179.9°	179.7°
C7	C6	C5	H6	180.0°	179.9°
C7	C6	C5	C4	0.1°	0.1°
C7	C6	C5	H5	179.9°	180.0°
C6	C5	C4	H5	180.0°	179.9°
C6	C5	C4	C3	0.0°	0.1°
C5	C6	C7	H7	179.9°	180.0°
C6	C5	C4	H4	180.0°	180.0°
C5	C4	C3	H4	180.0°	179.9°
C4	C5	C6	H6	179.9°	180.0°
C5	C4	C3	H3	179.9°	179.8°
C3	C4	C5	H5	180.0°	179.8°
H26	C26	C25	H25	0.0°	0.2°
H25	C25	C24	H24	0.1°	0.0°
H24	C24	C23	H23	0.1°	0.0°
H17	C17	C16	H16	0.1°	0.1°
H16	C16	C15	H15	0.0°	0.1°
H7	C7	C6	H6	0.1°	0.1°
H6	C6	C5	H5	0.1°	0.1°
H5	C5	C4	H4	0.0°	0.1°
H4	C4	C3	H3	0.1°	0.1°

Definition date:	2007-12-18
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	2RKI