KV6
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CP | CO | sing | 1.53Å | 1.51Å | |
CC | CO | sing | 1.53Å | 1.52Å | |
CC | CN | sing | 1.53Å | 1.53Å | |
CN | CM | sing | 1.53Å | 1.52Å | |
CM | CL | sing | 1.53Å | 1.52Å | |
CL | CK | sing | 1.53Å | 1.52Å | |
CK | CI | sing | 1.53Å | 1.52Å | |
CI | CQ | sing | 1.53Å | 1.53Å | |
CQ | CH | sing | 1.53Å | 1.52Å | |
CZ | CE | sing | 1.53Å | 1.52Å | |
CZ | CH | sing | 1.53Å | 1.52Å | |
CE | CD | sing | 1.53Å | 1.52Å | |
CD | CG | sing | 1.53Å | 1.52Å | |
CG | CA | sing | 1.53Å | 1.53Å | |
CA | N | sing | 1.47Å | 1.46Å | |
CA | CB | sing | 1.53Å | 1.53Å | |
CB | C | sing | 1.51Å | 1.52Å | |
C | O | doub | 1.21Å | 1.23Å | |
N | H | sing | 1.01Å | 1.00Å | |
N | H2 | sing | 1.01Å | 1.00Å | |
CA | HA | sing | 1.09Å | 1.10Å | |
CG | HG1 | sing | 1.09Å | 1.10Å | |
CG | HG2 | sing | 1.09Å | 1.10Å | |
CD | HD1 | sing | 1.09Å | 1.10Å | |
CD | HD2 | sing | 1.09Å | 1.10Å | |
CE | HE1 | sing | 1.09Å | 1.10Å | |
CE | HE2 | sing | 1.09Å | 1.10Å | |
CZ | HZ2 | sing | 1.09Å | 1.10Å | |
CZ | HZ1 | sing | 1.09Å | 1.10Å | |
CH | HH1 | sing | 1.09Å | 1.10Å | |
CH | HH2 | sing | 1.09Å | 1.10Å | |
CQ | HQ2 | sing | 1.09Å | 1.10Å | |
CQ | HQ1 | sing | 1.09Å | 1.10Å | |
CI | HI1 | sing | 1.09Å | 1.10Å | |
CI | HI2 | sing | 1.09Å | 1.10Å | |
CK | HK1 | sing | 1.09Å | 1.10Å | |
CK | HK2 | sing | 1.09Å | 1.10Å | |
CL | HL2 | sing | 1.09Å | 1.10Å | |
CL | HL1 | sing | 1.09Å | 1.10Å | |
CM | HM2 | sing | 1.09Å | 1.10Å | |
CM | HM1 | sing | 1.09Å | 1.10Å | |
CP | HP2 | sing | 1.09Å | 1.10Å | |
CP | HP1 | sing | 1.09Å | 1.10Å | |
CP | HP3 | sing | 1.09Å | 1.10Å | |
CB | HB1 | sing | 1.09Å | 1.10Å | |
CB | HB2 | sing | 1.09Å | 1.10Å | |
CN | HN2 | sing | 1.09Å | 1.10Å | |
CN | HN1 | sing | 1.09Å | 1.10Å | |
CC | HC2 | sing | 1.09Å | 1.10Å | |
CC | HC1 | sing | 1.09Å | 1.10Å | |
CO | HO1 | sing | 1.09Å | 1.10Å | |
CO | HO2 | sing | 1.09Å | 1.10Å | |
C | OXT | sing | 1.34Å | 1.32Å | |
OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CP | CO | CC | 111.9° | 109.5° |
CO | CP | HP2 | 109.5° | 109.5° |
CO | CP | HP1 | 109.5° | 109.5° |
CO | CP | HP3 | 109.5° | 109.5° |
CP | CO | HO1 | 108.8° | 109.5° |
CP | CO | HO2 | 108.9° | 109.5° |
CO | CC | CN | 111.9° | 109.5° |
CO | CC | HC2 | 108.8° | 109.4° |
CO | CC | HC1 | 108.9° | 109.5° |
CC | CO | HO1 | 108.8° | 109.5° |
CC | CO | HO2 | 108.8° | 109.5° |
CC | CN | CM | 112.3° | 109.5° |
CC | CN | HN2 | 108.8° | 109.5° |
CC | CN | HN1 | 108.8° | 109.5° |
CN | CC | HC2 | 108.9° | 109.5° |
CN | CC | HC1 | 108.8° | 109.5° |
CN | CM | CL | 111.8° | 109.5° |
CN | CM | HM2 | 108.9° | 109.5° |
CN | CM | HM1 | 108.9° | 109.5° |
CM | CN | HN2 | 108.8° | 109.5° |
CM | CN | HN1 | 108.8° | 109.4° |
CM | CL | CK | 111.8° | 109.5° |
CM | CL | HL2 | 108.9° | 109.4° |
CM | CL | HL1 | 108.9° | 109.5° |
CL | CM | HM2 | 108.9° | 109.5° |
CL | CM | HM1 | 108.9° | 109.5° |
CL | CK | CI | 112.0° | 109.4° |
CL | CK | HK1 | 108.9° | 109.4° |
CL | CK | HK2 | 108.8° | 109.5° |
CK | CL | HL2 | 108.9° | 109.5° |
CK | CL | HL1 | 108.9° | 109.5° |
CK | CI | CQ | 111.9° | 109.4° |
CK | CI | HI1 | 108.9° | 109.5° |
CK | CI | HI2 | 108.9° | 109.5° |
CI | CK | HK1 | 108.9° | 109.5° |
CI | CK | HK2 | 108.9° | 109.5° |
CI | CQ | CH | 112.2° | 109.5° |
CI | CQ | HQ2 | 108.8° | 109.5° |
CI | CQ | HQ1 | 108.8° | 109.5° |
CQ | CI | HI1 | 108.9° | 109.4° |
CQ | CI | HI2 | 108.9° | 109.5° |
CQ | CH | CZ | 111.9° | 109.5° |
CQ | CH | HH1 | 108.9° | 109.5° |
CQ | CH | HH2 | 108.8° | 109.5° |
CH | CQ | HQ2 | 108.8° | 109.5° |
CH | CQ | HQ1 | 108.8° | 109.5° |
CE | CZ | CH | 111.6° | 109.5° |
CZ | CE | CD | 111.9° | 109.5° |
CZ | CE | HE1 | 108.9° | 109.5° |
CZ | CE | HE2 | 108.8° | 109.5° |
CE | CZ | HZ2 | 108.9° | 109.5° |
CE | CZ | HZ1 | 108.9° | 109.5° |
CH | CZ | HZ2 | 108.9° | 109.5° |
CH | CZ | HZ1 | 108.9° | 109.5° |
CZ | CH | HH1 | 108.8° | 109.4° |
CZ | CH | HH2 | 108.9° | 109.5° |
CE | CD | CG | 111.2° | 109.5° |
CE | CD | HD1 | 109.0° | 109.5° |
CE | CD | HD2 | 109.0° | 109.5° |
CD | CE | HE1 | 108.8° | 109.5° |
CD | CE | HE2 | 108.9° | 109.4° |
CD | CG | CA | 114.0° | 109.5° |
CD | CG | HG1 | 108.3° | 109.4° |
CD | CG | HG2 | 108.3° | 109.5° |
CG | CD | HD1 | 109.0° | 109.4° |
CG | CD | HD2 | 109.0° | 109.5° |
CG | CA | N | 110.2° | 109.4° |
CG | CA | CB | 111.4° | 109.5° |
CG | CA | HA | 107.9° | 109.5° |
CA | CG | HG1 | 108.4° | 109.5° |
CA | CG | HG2 | 108.3° | 109.5° |
N | CA | CB | 110.6° | 109.5° |
CA | N | H | 109.5° | 111.0° |
CA | N | H2 | 109.5° | 111.0° |
N | CA | HA | 108.8° | 109.5° |
CA | CB | C | 112.9° | 109.5° |
CB | CA | HA | 107.9° | 109.4° |
CA | CB | HB1 | 108.6° | 109.5° |
CA | CB | HB2 | 108.6° | 109.5° |
CB | C | O | 120.9° | 120.0° |
C | CB | HB1 | 108.6° | 109.5° |
C | CB | HB2 | 108.6° | 109.5° |
CB | C | OXT | 116.2° | 120.0° |
O | C | OXT | 122.9° | 120.0° |
H | N | H2 | 109.5° | 111.0° |
HG1 | CG | HG2 | 109.5° | 109.5° |
HD1 | CD | HD2 | 109.5° | 109.4° |
HE1 | CE | HE2 | 109.5° | 109.5° |
HZ2 | CZ | HZ1 | 109.5° | 109.5° |
HH1 | CH | HH2 | 109.5° | 109.5° |
HQ2 | CQ | HQ1 | 109.5° | 109.5° |
HI1 | CI | HI2 | 109.5° | 109.4° |
HK1 | CK | HK2 | 109.4° | 109.5° |
HL2 | CL | HL1 | 109.4° | 109.5° |
HM2 | CM | HM1 | 109.5° | 109.4° |
HP2 | CP | HP1 | 109.5° | 109.5° |
HP2 | CP | HP3 | 109.5° | 109.5° |
HP1 | CP | HP3 | 109.4° | 109.5° |
HB1 | CB | HB2 | 109.5° | 109.5° |
HN2 | CN | HN1 | 109.5° | 109.5° |
HC2 | CC | HC1 | 109.5° | 109.5° |
HO1 | CO | HO2 | 109.5° | 109.5° |
C | OXT | HXT | 109.5° | 117.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CP | CO | CC | HO1 | 120.3° | 120.0° |
CP | CO | CC | HO2 | 120.4° | 120.0° |
CP | CO | CC | CN | 178.3° | 180.0° |
CO | CP | HP2 | HP1 | 120.0° | 120.0° |
CO | CP | HP2 | HP3 | 120.0° | 120.0° |
CO | CP | HP1 | HP3 | 120.0° | 120.0° |
CP | CO | CC | HC2 | 57.9° | 60.0° |
CP | CO | CC | HC1 | 61.4° | 60.0° |
CP | CO | HO1 | HO2 | 118.9° | 120.0° |
CO | CC | CN | HC2 | 120.3° | 120.0° |
CO | CC | CN | HC1 | 120.4° | 120.0° |
CO | CC | CN | CM | 61.1° | 180.0° |
CC | CO | CP | HP2 | 180.0° | 60.0° |
CC | CO | CP | HP1 | 60.0° | 60.0° |
CC | CO | CP | HP3 | 60.0° | 180.0° |
CO | CC | CN | HN2 | 59.3° | 60.0° |
CO | CC | CN | HN1 | 178.5° | 60.0° |
CO | CC | HC2 | HC1 | 118.9° | 120.0° |
CC | CO | HO1 | HO2 | 118.9° | 120.0° |
CC | CN | CM | HN2 | 120.4° | 120.0° |
CC | CN | CM | HN1 | 120.4° | 120.0° |
CC | CN | CM | CL | 61.0° | 180.0° |
CC | CN | CM | HM2 | 59.3° | 59.9° |
CC | CN | CM | HM1 | 178.6° | 60.0° |
CC | CN | HN2 | HN1 | 118.7° | 120.0° |
CN | CC | HC2 | HC1 | 118.9° | 120.0° |
CN | CC | CO | HO1 | 61.4° | 60.0° |
CN | CC | CO | HO2 | 57.9° | 60.0° |
CN | CM | CL | HM2 | 120.3° | 120.0° |
CN | CM | CL | HM1 | 120.4° | 120.0° |
CN | CM | CL | CK | 179.4° | 180.0° |
CN | CM | CL | HL2 | 60.2° | 60.0° |
CN | CM | CL | HL1 | 59.0° | 60.0° |
CN | CM | HM2 | HM1 | 118.9° | 120.0° |
CM | CN | HN2 | HN1 | 118.7° | 120.0° |
CM | CN | CC | HC2 | 178.6° | 60.0° |
CM | CN | CC | HC1 | 59.3° | 60.0° |
CM | CL | CK | HL2 | 120.4° | 120.0° |
CM | CL | CK | HL1 | 120.4° | 120.0° |
CM | CL | CK | CI | 63.9° | 180.0° |
CM | CL | CK | HK1 | 175.7° | 60.0° |
CM | CL | CK | HK2 | 56.5° | 60.0° |
CM | CL | HL2 | HL1 | 118.9° | 120.0° |
CL | CM | HM2 | HM1 | 118.9° | 120.0° |
CL | CM | CN | HN2 | 178.5° | 60.0° |
CL | CM | CN | HN1 | 59.4° | 60.0° |
CL | CK | CI | HK1 | 120.4° | 120.0° |
CL | CK | CI | HK2 | 120.4° | 120.0° |
CL | CK | CI | CQ | 179.3° | NaN° |
CL | CK | CI | HI1 | 58.9° | 60.0° |
CL | CK | CI | HI2 | 60.4° | 60.0° |
CL | CK | HK1 | HK2 | 118.8° | 120.0° |
CK | CL | HL2 | HL1 | 118.9° | 120.0° |
CK | CL | CM | HM2 | 59.1° | 60.0° |
CK | CL | CM | HM1 | 60.2° | 60.0° |
CK | CI | CQ | HI1 | 120.3° | 120.0° |
CK | CI | CQ | HI2 | 120.4° | 120.0° |
CK | CI | CQ | CH | 59.2° | 180.0° |
CK | CI | CQ | HQ2 | 61.2° | 60.0° |
CK | CI | CQ | HQ1 | 179.6° | 60.0° |
CK | CI | HI1 | HI2 | 118.9° | 120.0° |
CI | CK | HK1 | HK2 | 118.9° | 120.0° |
CI | CK | CL | HL2 | 56.5° | 60.0° |
CI | CK | CL | HL1 | 175.7° | 60.0° |
CI | CQ | CH | HQ2 | 120.4° | 120.0° |
CI | CQ | CH | HQ1 | 120.4° | 120.0° |
CI | CQ | CH | CZ | 62.0° | 180.0° |
CI | CQ | CH | HH1 | 58.4° | 60.0° |
CI | CQ | CH | HH2 | 177.6° | 60.0° |
CI | CQ | HQ2 | HQ1 | 118.8° | 120.0° |
CQ | CI | HI1 | HI2 | 118.9° | 120.0° |
CQ | CI | CK | HK1 | 60.3° | 60.0° |
CQ | CI | CK | HK2 | 58.9° | 60.0° |
CQ | CH | CZ | CE | 176.9° | 180.0° |
CQ | CH | CZ | HH1 | 120.4° | 120.0° |
CQ | CH | CZ | HH2 | 120.3° | 120.0° |
CQ | CH | CZ | HZ2 | 56.6° | 60.0° |
CQ | CH | CZ | HZ1 | 62.8° | 60.0° |
CQ | CH | HH1 | HH2 | 118.9° | 120.0° |
CH | CQ | HQ2 | HQ1 | 118.7° | 120.0° |
CH | CQ | CI | HI1 | 179.6° | 60.0° |
CH | CQ | CI | HI2 | 61.1° | 60.0° |
CE | CZ | CH | HZ2 | 120.3° | 120.0° |
CE | CZ | CH | HZ1 | 120.3° | 120.0° |
CZ | CE | CD | HE1 | 120.4° | 120.0° |
CZ | CE | CD | HE2 | 120.4° | 120.0° |
CZ | CE | CD | CG | 179.4° | 180.0° |
CZ | CE | CD | HD1 | 59.2° | 60.0° |
CZ | CE | CD | HD2 | 60.3° | 60.0° |
CZ | CE | HE1 | HE2 | 118.9° | 120.0° |
CE | CZ | HZ2 | HZ1 | 119.0° | 120.0° |
CE | CZ | CH | HH1 | 56.5° | 60.0° |
CE | CZ | CH | HH2 | 62.8° | 60.0° |
CH | CZ | CE | CD | 61.0° | 180.0° |
CH | CZ | CE | HE1 | 178.7° | 60.0° |
CH | CZ | CE | HE2 | 59.4° | 60.0° |
CH | CZ | HZ2 | HZ1 | 119.0° | 120.0° |
CZ | CH | HH1 | HH2 | 118.9° | 120.0° |
CZ | CH | CQ | HQ2 | 177.6° | 60.0° |
CZ | CH | CQ | HQ1 | 58.4° | 60.0° |
CE | CD | CG | HD1 | 120.2° | 120.1° |
CE | CD | CG | HD2 | 120.2° | 120.0° |
CE | CD | CG | CA | 179.1° | 180.0° |
CE | CD | CG | HG1 | 60.2° | 60.0° |
CE | CD | CG | HG2 | 58.5° | 60.0° |
CE | CD | HD1 | HD2 | 119.2° | 120.0° |
CD | CE | HE1 | HE2 | 118.9° | 120.0° |
CD | CE | CZ | HZ2 | 178.7° | 60.0° |
CD | CE | CZ | HZ1 | 59.4° | 60.0° |
CD | CG | CA | HG1 | 120.7° | 120.0° |
CD | CG | CA | HG2 | 120.7° | 120.0° |
CD | CG | CA | N | 59.4° | 65.0° |
CD | CG | CA | CB | 63.7° | 175.0° |
CD | CG | CA | HA | 178.1° | 55.0° |
CD | CG | HG1 | HG2 | 118.0° | 120.0° |
CG | CD | HD1 | HD2 | 119.2° | 120.0° |
CG | CD | CE | HE1 | 60.2° | 60.0° |
CG | CD | CE | HE2 | 59.1° | 60.0° |
CG | CA | N | CB | 123.6° | 120.0° |
CG | CA | N | HA | 118.2° | 120.0° |
CG | CA | CB | HA | 118.2° | 120.0° |
CG | CA | CB | C | 165.4° | 175.0° |
CG | CA | N | H | 180.0° | 64.0° |
CG | CA | N | H2 | 60.0° | 60.0° |
CA | CG | HG1 | HG2 | 117.9° | 120.0° |
CA | CG | CD | HD1 | 58.9° | 60.0° |
CA | CG | CD | HD2 | 60.6° | 60.0° |
CG | CA | CB | HB1 | 74.1° | 65.0° |
CG | CA | CB | HB2 | 44.9° | 55.0° |
N | CA | CB | HA | 118.8° | 120.1° |
N | CA | CB | C | 71.7° | 65.0° |
CA | N | H | H2 | 120.0° | 124.0° |
N | CA | CG | HG1 | 179.9° | 175.0° |
N | CA | CG | HG2 | 61.2° | 55.0° |
N | CA | CB | HB1 | 48.8° | 55.0° |
N | CA | CB | HB2 | 167.8° | 175.0° |
CA | CB | C | HB1 | 120.5° | 120.0° |
CA | CB | C | HB2 | 120.5° | 120.0° |
CA | CB | C | O | 138.7° | 0.0° |
CB | CA | N | H | 56.4° | 176.0° |
CB | CA | N | H2 | 176.4° | 60.0° |
CB | CA | CG | HG1 | 57.0° | 55.0° |
CB | CA | CG | HG2 | 175.6° | 65.0° |
CA | CB | HB1 | HB2 | 118.5° | 120.0° |
CA | CB | C | OXT | 43.1° | 180.0° |
CB | C | O | OXT | 178.1° | 180.0° |
C | CB | CA | HA | 47.1° | 55.0° |
C | CB | HB1 | HB2 | 118.4° | 120.0° |
CB | C | OXT | HXT | 178.2° | 180.0° |
O | C | CB | HB1 | 18.2° | 120.0° |
O | C | CB | HB2 | 100.8° | 120.0° |
O | C | OXT | HXT | 0.0° | 0.0° |
H | N | CA | HA | 61.8° | 56.0° |
H2 | N | CA | HA | 58.2° | 180.0° |
HA | CA | CG | HG1 | 61.2° | 64.9° |
HA | CA | CG | HG2 | 57.4° | 175.1° |
HA | CA | CB | HB1 | 167.6° | 175.0° |
HA | CA | CB | HB2 | 73.4° | 65.0° |
HG1 | CG | CD | HD1 | 179.6° | 180.0° |
HG1 | CG | CD | HD2 | 60.1° | 60.0° |
HG2 | CG | CD | HD1 | 61.7° | 60.1° |
HG2 | CG | CD | HD2 | 178.7° | 180.0° |
HD1 | CD | CE | HE1 | 179.5° | 180.0° |
HD1 | CD | CE | HE2 | 61.2° | 60.0° |
HD2 | CD | CE | HE1 | 60.0° | 60.0° |
HD2 | CD | CE | HE2 | 179.3° | 180.0° |
HE1 | CE | CZ | HZ2 | 58.4° | 180.0° |
HE1 | CE | CZ | HZ1 | 61.0° | 60.0° |
HE2 | CE | CZ | HZ2 | 60.9° | 60.0° |
HE2 | CE | CZ | HZ1 | 179.7° | 180.0° |
HZ2 | CZ | CH | HH1 | 63.8° | 179.9° |
HZ2 | CZ | CH | HH2 | 176.9° | 60.0° |
HZ1 | CZ | CH | HH1 | 176.8° | 60.1° |
HZ1 | CZ | CH | HH2 | 57.6° | 180.0° |
HH1 | CH | CQ | HQ2 | 62.0° | 180.0° |
HH1 | CH | CQ | HQ1 | 178.8° | 60.0° |
HH2 | CH | CQ | HQ2 | 57.2° | 60.0° |
HH2 | CH | CQ | HQ1 | 61.9° | 180.0° |
HQ2 | CQ | CI | HI1 | 59.2° | 180.0° |
HQ2 | CQ | CI | HI2 | 178.5° | 60.0° |
HQ1 | CQ | CI | HI1 | 60.0° | 60.0° |
HQ1 | CQ | CI | HI2 | 59.3° | 180.0° |
HI1 | CI | CK | HK1 | 179.3° | 180.0° |
HI1 | CI | CK | HK2 | 61.4° | 60.0° |
HI2 | CI | CK | HK1 | 60.0° | 60.0° |
HI2 | CI | CK | HK2 | 179.3° | 180.0° |
HK1 | CK | CL | HL2 | 63.9° | 180.0° |
HK1 | CK | CL | HL1 | 55.3° | 60.0° |
HK2 | CK | CL | HL2 | 176.8° | 60.0° |
HK2 | CK | CL | HL1 | 63.9° | 180.0° |
HL2 | CL | CM | HM2 | 179.4° | 180.0° |
HL2 | CL | CM | HM1 | 60.2° | 60.0° |
HL1 | CL | CM | HM2 | 61.3° | 60.0° |
HL1 | CL | CM | HM1 | 179.4° | 180.0° |
HM2 | CM | CN | HN2 | 61.1° | 179.9° |
HM2 | CM | CN | HN1 | 179.7° | 60.0° |
HM1 | CM | CN | HN2 | 58.2° | 60.0° |
HM1 | CM | CN | HN1 | 61.0° | 180.0° |
HP2 | CP | HP1 | HP3 | 120.0° | 120.0° |
HP2 | CP | CO | HO1 | 59.7° | 60.0° |
HP2 | CP | CO | HO2 | 59.6° | 180.0° |
HP1 | CP | CO | HO1 | 60.4° | NaN° |
HP1 | CP | CO | HO2 | 179.7° | 60.0° |
HP3 | CP | CO | HO1 | 179.7° | 60.0° |
HP3 | CP | CO | HO2 | 60.4° | 60.0° |
HB1 | CB | C | OXT | 163.6° | 60.0° |
HB2 | CB | C | OXT | 77.4° | 60.0° |
HN2 | CN | CC | HC2 | 61.0° | 180.0° |
HN2 | CN | CC | HC1 | 179.7° | 60.0° |
HN1 | CN | CC | HC2 | 58.1° | 59.9° |
HN1 | CN | CC | HC1 | 61.2° | 180.0° |
HC2 | CC | CO | HO1 | 178.2° | 60.0° |
HC2 | CC | CO | HO2 | 62.5° | 180.0° |
HC1 | CC | CO | HO1 | 58.9° | 180.0° |
HC1 | CC | CO | HO2 | 178.2° | 60.0° |