VHR

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C2	N1	sing	1.49Å	1.49Å
C2	S2	sing	1.90Å	1.90Å
N1	C1	sing	1.50Å	1.50Å
C1	S1	sing	1.87Å	1.87Å
S2	FE1	sing	2.29Å	2.29Å
S2	FE2	sing	2.31Å	2.31Å
O3	C3	trip	1.23Å	1.23Å
C3	FE1	sing	1.72Å	1.72Å
FE1	S1	sing	2.28Å	2.28Å
FE1	C4	sing	1.83Å	1.83Å
FE1	C5	sing	1.91Å	1.91Å
S1	FE2	sing	2.29Å	2.29Å
N	C	trip	1.16Å	1.16Å
C	FE2	sing	1.89Å	1.89Å
C4	N4	trip	1.22Å	1.22Å
FE2	C5	sing	1.98Å	1.98Å
FE2	C6	sing	1.92Å	1.92Å
FE2	C7	sing	1.76Å	1.76Å
C5	O5	doub	1.19Å	1.19Å
C6	N6	trip	1.14Å	1.14Å
C7	O7	trip	1.18Å	1.18Å
C1	H1	sing	1.10Å	1.10Å
C1	H2	sing	1.10Å	1.10Å
C2	H3	sing	1.10Å	1.10Å
C2	H4	sing	1.10Å	1.10Å
N1	H11	sing	1.00Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N1	C2	S2	106.4°	106.4°
C2	N1	C1	118.3°	118.3°
N1	C2	H3	110.2°	110.2°
N1	C2	H4	110.2°	110.2°
C2	N1	H11	107.2°	107.2°
C2	S2	FE1	113.0°	113.0°
C2	S2	FE2	116.5°	116.5°
S2	C2	H3	110.2°	110.2°
S2	C2	H4	110.2°	110.2°
N1	C1	S1	117.2°	117.2°
N1	C1	H1	107.5°	107.5°
N1	C1	H2	107.5°	107.5°
C1	N1	H11	107.3°	107.3°
C1	S1	FE1	109.6°	109.6°
C1	S1	FE2	108.9°	108.9°
S1	C1	H1	107.5°	107.5°
S1	C1	H2	107.5°	107.5°
FE1	S2	FE2	68.0°	68.0°
S2	FE1	C3	94.5°	94.5°
S2	FE1	S1	85.5°	85.5°
S2	FE1	C4	168.9°	168.9°
S2	FE1	C5	90.0°	90.0°
S2	FE2	S1	84.9°	84.9°
S2	FE2	C	91.3°	91.3°
S2	FE2	C5	87.9°	87.9°
S2	FE2	C6	89.6°	89.6°
S2	FE2	C7	170.7°	170.7°
O3	C3	FE1	170.0°	170.0°
C3	FE1	S1	174.2°	174.2°
C3	FE1	C4	91.1°	91.1°
C3	FE1	C5	83.7°	83.7°
S1	FE1	C4	88.0°	88.0°
S1	FE1	C5	90.5°	90.5°
FE1	S1	FE2	68.6°	68.6°
C4	FE1	C5	81.2°	81.2°
FE1	C4	N4	177.3°	177.3°
FE1	C5	FE2	82.8°	82.8°
FE1	C5	O5	142.0°	142.0°
S1	FE2	C	94.7°	94.7°
S1	FE2	C5	88.5°	88.5°
S1	FE2	C6	173.8°	173.8°
S1	FE2	C7	90.9°	90.9°
N	C	FE2	177.2°	177.2°
C	FE2	C5	176.6°	176.6°
C	FE2	C6	88.2°	88.2°
C	FE2	C7	97.3°	97.3°
C5	FE2	C6	88.5°	88.5°
C5	FE2	C7	83.7°	83.7°
FE2	C5	O5	135.2°	135.2°
C6	FE2	C7	94.1°	94.1°
FE2	C6	N6	171.4°	171.4°
FE2	C7	O7	172.1°	172.1°
H1	C1	H2	109.5°	109.5°
H3	C2	H4	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	C2	S2	H3	119.5°	119.5°
N1	C2	S2	H4	119.5°	119.5°
C2	N1	C1	H11	121.3°	121.3°
C2	N1	C1	S1	68.8°	68.8°
N1	C2	S2	FE1	69.9°	69.9°
N1	C2	S2	FE2	6.0°	6.0°
C2	N1	C1	H1	170.0°	170.0°
C2	N1	C1	H2	52.3°	52.3°
N1	C2	H3	H4	121.4°	121.4°
S2	C2	N1	C1	67.5°	67.5°
C2	S2	FE1	FE2	110.5°	110.5°
C2	S2	FE1	C3	126.7°	126.7°
C2	S2	FE1	S1	59.0°	59.0°
C2	S2	FE1	C4	113.0°	113.0°
C2	S2	FE1	C5	149.6°	149.6°
C2	S2	FE2	S1	54.5°	54.5°
C2	S2	FE2	C	40.1°	40.1°
C2	S2	FE2	C5	143.1°	143.1°
C2	S2	FE2	C6	128.4°	128.4°
C2	S2	FE2	C7	117.9°	117.9°
S2	C2	H3	H4	121.4°	121.4°
S2	C2	N1	H11	53.8°	53.8°
N1	C1	S1	H1	121.1°	121.1°
N1	C1	S1	H2	121.1°	121.1°
N1	C1	S1	FE1	62.9°	62.9°
N1	C1	S1	FE2	10.3°	10.3°
N1	C1	H1	H2	116.5°	116.5°
C1	N1	C2	H3	52.0°	52.0°
C1	N1	C2	H4	173.0°	173.0°
C1	S1	FE1	S2	51.6°	51.6°
C1	S1	FE2	S2	52.8°	52.8°
C1	S1	FE1	C3	141.6°	141.6°
C1	S1	FE1	FE2	103.3°	103.3°
C1	S1	FE1	C4	137.4°	137.4°
C1	S1	FE1	C5	141.5°	141.5°
C1	S1	FE2	C	38.0°	38.0°
C1	S1	FE2	C5	140.9°	140.9°
C1	S1	FE2	C6	80.1°	80.1°
C1	S1	FE2	C7	135.5°	135.5°
S1	C1	H1	H2	116.5°	116.5°
S1	C1	N1	H11	52.4°	52.4°
S2	FE1	C3	O3	37.0°	37.0°
S2	FE1	C3	S1	89.5°	89.5°
S2	FE1	C3	C4	170.5°	170.5°
S2	FE1	C3	C5	89.5°	89.5°
S2	FE1	S1	C4	171.1°	171.1°
S2	FE1	S1	C5	89.9°	89.9°
S2	FE1	C4	C5	37.1°	37.1°
FE1	S2	FE2	S1	51.2°	51.2°
FE1	S2	FE2	C	145.8°	145.8°
S2	FE1	C4	N4	105.0°	105.0°
FE1	S2	FE2	C5	37.5°	37.5°
FE1	S2	FE2	C6	126.0°	126.0°
FE1	S2	FE2	C7	12.2°	12.2°
S2	FE1	C5	O5	136.6°	136.6°
FE1	S2	C2	H3	49.7°	49.7°
FE1	S2	C2	H4	170.6°	170.6°
FE2	S2	FE1	C3	122.7°	122.7°
FE2	S2	FE1	C4	2.4°	2.4°
S2	FE2	S1	C	90.9°	90.9°
S2	FE2	S1	C5	88.0°	88.0°
S2	FE2	S1	C6	27.2°	27.2°
S2	FE2	S1	C7	171.7°	171.7°
S2	FE2	C	N	78.2°	78.2°
S2	FE2	C	C5	76.0°	76.0°
S2	FE2	C	C6	89.5°	89.5°
S2	FE2	C	C7	176.5°	176.5°
S2	FE2	C5	C6	89.6°	89.6°
S2	FE2	C5	C7	176.0°	176.0°
S2	FE2	C6	C7	171.5°	171.5°
S2	FE2	C5	O5	136.9°	136.9°
S2	FE2	C6	N6	49.1°	49.1°
S2	FE2	C7	O7	178.7°	178.7°
FE2	S2	C2	H3	125.6°	125.6°
FE2	S2	C2	H4	113.5°	113.5°
O3	C3	FE1	S1	126.5°	126.5°
O3	C3	FE1	C4	152.6°	152.6°
O3	C3	FE1	C5	126.4°	126.4°
C3	FE1	S1	C4	81.1°	81.1°
C3	FE1	S1	C5	0.1°	0.1°
C3	FE1	C4	C5	83.4°	83.4°
C3	FE1	S1	FE2	38.2°	38.2°
C3	FE1	C4	N4	134.4°	134.4°
C3	FE1	C5	FE2	137.9°	137.9°
C3	FE1	C5	O5	42.0°	42.0°
S1	FE1	C4	C5	90.9°	90.9°
FE1	S1	FE2	C	142.3°	142.3°
S1	FE1	C4	N4	51.3°	51.3°
S1	FE1	C5	FE2	42.1°	42.1°
FE1	S1	FE2	C6	24.2°	24.2°
FE1	S1	FE2	C7	120.3°	120.3°
S1	FE1	C5	O5	138.0°	138.0°
FE1	S1	C1	H1	175.9°	175.9°
FE1	S1	C1	H2	58.2°	58.2°
C4	FE1	S1	FE2	119.3°	119.3°
C4	FE1	C5	FE2	130.0°	130.0°
C4	FE1	C5	O5	50.1°	50.1°
FE1	C5	FE2	C	119.1°	119.1°
C5	FE1	C4	N4	142.1°	142.1°
FE1	C5	FE2	O5	179.9°	179.9°
FE1	C5	FE2	C6	132.7°	132.7°
FE1	C5	FE2	C7	133.0°	133.0°
S1	FE2	C	N	6.8°	6.8°
S1	FE2	C	C5	160.9°	160.9°
S1	FE2	C	C6	174.5°	174.5°
S1	FE2	C	C7	91.5°	91.5°
S1	FE2	C5	C6	174.6°	174.6°
S1	FE2	C5	C7	91.1°	91.1°
S1	FE2	C6	C7	144.3°	144.3°
S1	FE2	C5	O5	138.2°	138.2°
S1	FE2	C6	N6	22.0°	22.0°
S1	FE2	C7	O7	115.7°	115.7°
FE2	S1	C1	H1	110.8°	110.8°
FE2	S1	C1	H2	131.4°	131.4°
N	C	FE2	C5	154.1°	154.1°
N	C	FE2	C6	167.7°	167.7°
N	C	FE2	C7	98.3°	98.3°
C	FE2	C5	C6	13.6°	13.6°
C	FE2	C5	C7	107.9°	107.9°
C	FE2	C6	C7	97.2°	97.2°
C	FE2	C5	O5	60.8°	60.8°
C	FE2	C6	N6	140.4°	140.4°
C	FE2	C7	O7	20.8°	20.8°
C5	FE2	C6	C7	83.6°	83.6°
C5	FE2	C6	N6	38.8°	38.8°
C5	FE2	C7	O7	155.9°	155.9°
C6	FE2	C5	O5	47.2°	47.2°
C6	FE2	C7	O7	67.9°	67.9°
C7	FE2	C5	O5	47.1°	47.1°
C7	FE2	C6	N6	122.4°	122.4°
H1	C1	N1	H11	68.7°	68.7°
H2	C1	N1	H11	173.5°	173.5°
H3	C2	N1	H11	173.3°	173.3°
H4	C2	N1	H11	65.7°	65.7°

Release date:	2023-03-15
Definition date:	2023-03-06
Last modified:	2023-03-10
Release status:	REL
Processing site:	PDBE
Derived from:	8AJ6