I0S
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N | CA | sing | 1.47Å | 1.42Å | |
N | CAG | sing | 1.47Å | 1.40Å | |
N | SAI | sing | 1.66Å | 1.37Å | |
CA | C | sing | 1.51Å | 1.56Å | |
CA | CB | sing | 1.53Å | 1.55Å | |
C | O | doub | 1.21Å | 1.18Å | |
C | NAS | sing | 1.35Å | 1.45Å | |
CB | CAE | sing | 1.53Å | 1.41Å | |
CAE | CAF | sing | 1.53Å | 1.41Å | |
CAF | CAG | sing | 1.53Å | 1.53Å | |
CAJ | CAK | doub | 1.38Å | 1.39Å | Aromatic |
CAJ | CAP | sing | 1.38Å | 1.39Å | Aromatic |
CAJ | SAI | sing | 1.76Å | 1.82Å | |
CAK | CAL | sing | 1.38Å | 1.38Å | Aromatic |
CAL | CAM | doub | 1.38Å | 1.38Å | Aromatic |
CAM | CAN | sing | 1.51Å | 1.52Å | |
CAM | CAO | sing | 1.38Å | 1.38Å | Aromatic |
CAO | CAP | doub | 1.38Å | 1.38Å | Aromatic |
CAT | NAS | sing | 1.39Å | 1.45Å | |
CAT | NAU | doub | 1.30Å | 1.34Å | Aromatic |
CAT | SBF | sing | 1.76Å | 1.69Å | Aromatic |
CAV | CAW | sing | 1.48Å | 1.53Å | |
CAV | CBE | doub | 1.34Å | 1.40Å | Aromatic |
CAV | NAU | sing | 1.33Å | 1.36Å | Aromatic |
CAW | CAX | doub | 1.39Å | 1.38Å | Aromatic |
CAW | CBD | sing | 1.39Å | 1.38Å | Aromatic |
CAX | CAY | sing | 1.38Å | 1.38Å | Aromatic |
CAY | CAZ | doub | 1.39Å | 1.38Å | Aromatic |
CAZ | CBC | sing | 1.39Å | 1.39Å | Aromatic |
CAZ | OBA | sing | 1.36Å | 1.40Å | |
CBB | OBA | sing | 1.43Å | 1.40Å | |
CBC | CBD | doub | 1.38Å | 1.39Å | Aromatic |
CBE | SBF | sing | 1.76Å | 1.69Å | Aromatic |
OAQ | SAI | doub | 1.42Å | 1.65Å | |
OAR | SAI | doub | 1.42Å | 1.65Å | |
CB | H1 | sing | 1.09Å | 1.10Å | |
CB | H2 | sing | 1.09Å | 1.10Å | |
CAE | H3 | sing | 1.09Å | 1.10Å | |
CAE | H4 | sing | 1.09Å | 1.10Å | |
CAF | H5 | sing | 1.09Å | 1.10Å | |
CAF | H6 | sing | 1.09Å | 1.10Å | |
CAG | H7 | sing | 1.09Å | 1.10Å | |
CAK | H8 | sing | 1.08Å | 1.08Å | |
CAL | H9 | sing | 1.08Å | 1.08Å | |
CAN | H10 | sing | 1.09Å | 1.10Å | |
CAN | H11 | sing | 1.09Å | 1.10Å | |
CAN | H12 | sing | 1.09Å | 1.10Å | |
CAO | H13 | sing | 1.08Å | 1.08Å | |
CAP | H14 | sing | 1.08Å | 1.08Å | |
CAX | H15 | sing | 1.08Å | 1.08Å | |
CAY | H16 | sing | 1.08Å | 1.08Å | |
CBB | H17 | sing | 1.09Å | 1.10Å | |
CBB | H18 | sing | 1.09Å | 1.10Å | |
CBB | H19 | sing | 1.09Å | 1.10Å | |
CBC | H20 | sing | 1.08Å | 1.08Å | |
CBD | H21 | sing | 1.08Å | 1.08Å | |
CBE | H22 | sing | 1.08Å | 1.08Å | |
NAS | H23 | sing | 0.97Å | 1.00Å | |
CA | H26 | sing | 1.09Å | 1.10Å | |
CAG | H27 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CA | N | CAG | 118.7° | 118.7° |
CA | N | SAI | 111.7° | 120.6° |
N | CA | C | 106.4° | 109.6° |
N | CA | CB | 118.4° | 108.8° |
N | CA | H26 | 109.2° | 109.5° |
CAG | N | SAI | 111.7° | 120.7° |
N | CAG | CAF | 112.9° | 108.8° |
N | CAG | H7 | 108.6° | 109.6° |
N | CAG | H27 | 108.6° | 109.6° |
N | SAI | CAJ | 111.0° | 107.2° |
N | SAI | OAQ | 109.5° | 106.4° |
N | SAI | OAR | 109.1° | 106.4° |
C | CA | CB | 107.3° | 109.6° |
CA | C | O | 119.7° | 120.0° |
CA | C | NAS | 121.0° | 120.0° |
C | CA | H26 | 107.5° | 109.6° |
CA | CB | CAE | 116.5° | 109.3° |
CA | CB | H1 | 107.7° | 109.5° |
CA | CB | H2 | 107.7° | 109.5° |
CB | CA | H26 | 107.6° | 109.7° |
O | C | NAS | 119.3° | 120.0° |
C | NAS | CAT | 118.2° | 120.0° |
C | NAS | H23 | 120.9° | 120.0° |
CB | CAE | CAF | 112.2° | 109.5° |
CAE | CB | H1 | 107.7° | 109.5° |
CAE | CB | H2 | 107.7° | 109.5° |
CB | CAE | H3 | 108.8° | 109.5° |
CB | CAE | H4 | 108.8° | 109.4° |
CAE | CAF | CAG | 108.6° | 109.3° |
CAF | CAE | H3 | 108.8° | 109.5° |
CAF | CAE | H4 | 108.8° | 109.5° |
CAE | CAF | H5 | 109.7° | 109.5° |
CAE | CAF | H6 | 109.7° | 109.5° |
CAG | CAF | H5 | 109.7° | 109.4° |
CAG | CAF | H6 | 109.7° | 109.5° |
CAF | CAG | H7 | 108.6° | 109.6° |
CAF | CAG | H27 | 108.6° | 109.6° |
CAK | CAJ | CAP | 119.9° | 120.0° |
CAK | CAJ | SAI | 119.9° | 120.0° |
CAJ | CAK | CAL | 120.0° | 120.0° |
CAJ | CAK | H8 | 120.0° | 120.0° |
CAP | CAJ | SAI | 120.2° | 120.0° |
CAJ | CAP | CAO | 120.0° | 120.0° |
CAJ | CAP | H14 | 120.0° | 120.0° |
CAJ | SAI | OAQ | 108.9° | 106.4° |
CAJ | SAI | OAR | 109.1° | 106.3° |
CAK | CAL | CAM | 119.9° | 120.0° |
CAL | CAK | H8 | 120.0° | 120.0° |
CAK | CAL | H9 | 120.1° | 120.0° |
CAL | CAM | CAN | 120.2° | 120.0° |
CAL | CAM | CAO | 120.1° | 120.0° |
CAM | CAL | H9 | 120.0° | 120.0° |
CAN | CAM | CAO | 119.7° | 120.0° |
CAM | CAN | H10 | 109.5° | 109.5° |
CAM | CAN | H11 | 109.5° | 109.5° |
CAM | CAN | H12 | 109.5° | 109.5° |
CAM | CAO | CAP | 120.0° | 120.0° |
CAM | CAO | H13 | 120.0° | 120.0° |
CAP | CAO | H13 | 120.0° | 120.0° |
CAO | CAP | H14 | 120.0° | 120.0° |
NAS | CAT | NAU | 126.7° | 125.3° |
NAS | CAT | SBF | 126.5° | 125.3° |
CAT | NAS | H23 | 120.9° | 120.0° |
NAU | CAT | SBF | 106.8° | 109.4° |
CAT | NAU | CAV | 116.6° | 117.0° |
CAT | SBF | CBE | 97.2° | 90.0° |
CAW | CAV | CBE | 123.0° | 122.3° |
CAW | CAV | NAU | 122.9° | 122.3° |
CAV | CAW | CAX | 119.3° | 120.1° |
CAV | CAW | CBD | 120.7° | 120.0° |
CBE | CAV | NAU | 114.1° | 115.4° |
CAV | CBE | SBF | 105.2° | 108.2° |
CAV | CBE | H22 | 127.4° | 125.9° |
CAX | CAW | CBD | 120.1° | 119.9° |
CAW | CAX | CAY | 120.0° | 119.9° |
CAW | CAX | H15 | 120.0° | 120.0° |
CAW | CBD | CBC | 119.8° | 119.9° |
CAW | CBD | H21 | 120.1° | 120.0° |
CAX | CAY | CAZ | 120.1° | 120.1° |
CAY | CAX | H15 | 120.0° | 120.1° |
CAX | CAY | H16 | 120.0° | 119.9° |
CAY | CAZ | CBC | 119.9° | 120.1° |
CAY | CAZ | OBA | 119.0° | 120.0° |
CAZ | CAY | H16 | 119.9° | 120.0° |
CBC | CAZ | OBA | 121.1° | 119.9° |
CAZ | CBC | CBD | 120.1° | 120.1° |
CAZ | CBC | H20 | 120.0° | 119.9° |
CAZ | OBA | CBB | 115.0° | 117.0° |
OBA | CBB | H17 | 109.5° | 109.4° |
OBA | CBB | H18 | 109.5° | 109.5° |
OBA | CBB | H19 | 109.4° | 109.4° |
CBD | CBC | H20 | 120.0° | 120.0° |
CBC | CBD | H21 | 120.1° | 120.1° |
SBF | CBE | H22 | 127.4° | 125.9° |
OAQ | SAI | OAR | 109.2° | 123.2° |
H1 | CB | H2 | 109.5° | 109.5° |
H3 | CAE | H4 | 109.5° | 109.5° |
H5 | CAF | H6 | 109.5° | 109.6° |
H7 | CAG | H27 | 109.5° | 109.7° |
H10 | CAN | H11 | 109.4° | 109.5° |
H10 | CAN | H12 | 109.5° | 109.5° |
H11 | CAN | H12 | 109.5° | 109.5° |
H17 | CBB | H18 | 109.5° | 109.5° |
H17 | CBB | H19 | 109.5° | 109.5° |
H18 | CBB | H19 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CA | N | CAG | SAI | 132.1° | 179.7° |
N | CA | C | CB | 127.6° | 119.3° |
N | CA | C | H26 | 116.9° | 120.2° |
N | CA | CB | H26 | 124.3° | 119.8° |
N | CA | C | O | 55.3° | 67.9° |
N | CA | C | NAS | 124.3° | 112.0° |
N | CA | CB | CAE | 1.1° | 54.6° |
CA | N | CAG | CAF | 26.5° | 53.6° |
CA | N | SAI | CAJ | 91.9° | 98.4° |
CA | N | SAI | OAQ | 28.3° | 15.1° |
CA | N | SAI | OAR | 147.7° | 148.1° |
N | CA | CB | H1 | 122.1° | 174.6° |
N | CA | CB | H2 | 120.0° | 65.3° |
CA | N | CAG | H7 | 147.0° | 173.4° |
CA | N | CAG | H27 | 94.1° | 66.2° |
CAG | N | CA | C | 118.9° | 173.4° |
CAG | N | CA | CB | 1.9° | 53.5° |
N | CAG | CAF | CAE | 59.9° | 54.7° |
N | CAG | CAF | H7 | 120.5° | 119.8° |
N | CAG | CAF | H27 | 120.5° | 119.8° |
CAG | N | SAI | CAJ | 43.6° | 81.2° |
CAG | N | SAI | OAQ | 163.9° | 165.2° |
CAG | N | SAI | OAR | 76.7° | 32.2° |
N | CAG | CAF | H5 | 179.8° | 174.6° |
N | CAG | CAF | H6 | 59.9° | 65.3° |
N | CAG | H7 | H27 | 118.4° | 120.3° |
CAG | N | CA | H26 | 125.4° | 66.4° |
SAI | N | CA | C | 109.0° | 6.3° |
SAI | N | CA | CB | 130.3° | 126.1° |
SAI | N | CAG | CAF | 158.6° | 126.1° |
N | SAI | CAJ | CAK | 112.7° | 90.0° |
N | SAI | CAJ | CAP | 67.9° | 90.3° |
N | SAI | CAJ | OAQ | 120.6° | 113.6° |
N | SAI | CAJ | OAR | 120.3° | 113.5° |
N | SAI | OAQ | OAR | 119.4° | 123.0° |
SAI | N | CAG | H7 | 80.9° | 6.3° |
SAI | N | CA | H26 | 6.8° | 114.0° |
SAI | N | CAG | H27 | 38.1° | 114.1° |
C | CA | CB | H26 | 115.4° | 120.4° |
CA | C | O | NAS | 179.6° | 180.0° |
C | CA | CB | CAE | 121.4° | 174.4° |
CA | C | NAS | CAT | 179.9° | 180.0° |
C | CA | CB | H1 | 117.6° | 65.6° |
C | CA | CB | H2 | 0.4° | 54.5° |
CA | C | NAS | H23 | 0.1° | 0.0° |
CB | CA | C | O | 177.1° | 51.4° |
CB | CA | C | NAS | 3.3° | 128.6° |
CA | CB | CAE | H1 | 121.0° | 120.0° |
CA | CB | CAE | H2 | 121.0° | 119.9° |
CA | CB | CAE | CAF | 34.9° | 61.4° |
CA | CB | H1 | H2 | 116.8° | 120.0° |
CA | CB | CAE | H3 | 85.5° | 58.7° |
CA | CB | CAE | H4 | 155.3° | 178.6° |
O | C | NAS | CAT | 0.4° | 0.0° |
O | C | NAS | H23 | 179.6° | 180.0° |
O | C | CA | H26 | 61.6° | 171.8° |
C | NAS | CAT | H23 | 180.0° | 180.0° |
C | NAS | CAT | NAU | 49.9° | 179.9° |
C | NAS | CAT | SBF | 129.8° | 0.3° |
NAS | C | CA | H26 | 118.8° | 8.2° |
CB | CAE | CAF | H3 | 120.4° | 120.0° |
CB | CAE | CAF | H4 | 120.4° | 120.0° |
CB | CAE | CAF | CAG | 63.2° | 61.4° |
CAE | CB | H1 | H2 | 116.8° | 120.1° |
CB | CAE | H3 | H4 | 118.8° | 120.0° |
CB | CAE | CAF | H5 | 176.9° | 178.7° |
CB | CAE | CAF | H6 | 56.7° | 58.6° |
CAE | CB | CA | H26 | 123.2° | 65.2° |
CAE | CAF | CAG | H5 | 119.9° | 119.9° |
CAE | CAF | CAG | H6 | 119.9° | 120.0° |
CAF | CAE | CB | H1 | 155.9° | 178.6° |
CAF | CAE | CB | H2 | 86.1° | 58.6° |
CAF | CAE | H3 | H4 | 118.7° | 120.0° |
CAE | CAF | H5 | H6 | 120.4° | 120.1° |
CAE | CAF | CAG | H7 | 179.5° | 174.5° |
CAE | CAF | CAG | H27 | 60.6° | 65.1° |
CAG | CAF | CAE | H3 | 57.2° | 58.6° |
CAG | CAF | CAE | H4 | 176.4° | 178.6° |
CAG | CAF | H5 | H6 | 120.4° | 120.1° |
CAF | CAG | H7 | H27 | 118.5° | 120.4° |
CAK | CAJ | CAP | SAI | 179.3° | 179.7° |
CAJ | CAK | CAL | H8 | 180.0° | 180.0° |
CAJ | CAK | CAL | CAM | 0.5° | 0.1° |
CAK | CAJ | CAP | CAO | 0.6° | 0.0° |
CAK | CAJ | SAI | OAQ | 126.7° | 23.6° |
CAK | CAJ | SAI | OAR | 7.6° | 156.5° |
CAJ | CAK | CAL | H9 | 179.5° | 180.0° |
CAK | CAJ | CAP | H14 | 179.4° | 179.9° |
CAP | CAJ | CAK | CAL | 0.7° | 0.0° |
CAJ | CAP | CAO | CAM | 0.4° | 0.1° |
CAJ | CAP | CAO | H14 | 180.0° | 180.0° |
CAP | CAJ | SAI | OAQ | 52.7° | 156.1° |
CAP | CAJ | SAI | OAR | 171.8° | 23.2° |
CAP | CAJ | CAK | H8 | 179.4° | 180.0° |
CAJ | CAP | CAO | H13 | 179.6° | 180.0° |
SAI | CAJ | CAK | CAL | 180.0° | 179.7° |
SAI | CAJ | CAP | CAO | 180.0° | 179.7° |
CAJ | SAI | OAQ | OAR | 119.1° | 122.9° |
SAI | CAJ | CAK | H8 | 0.0° | 0.3° |
SAI | CAJ | CAP | H14 | 0.0° | 0.4° |
CAK | CAL | CAM | H9 | 180.0° | 179.9° |
CAK | CAL | CAM | CAN | 179.8° | 180.0° |
CAK | CAL | CAM | CAO | 0.3° | 0.1° |
CAL | CAM | CAN | CAO | 179.9° | 179.9° |
CAL | CAM | CAO | CAP | 0.2° | 0.1° |
CAM | CAL | CAK | H8 | 179.6° | 180.0° |
CAL | CAM | CAN | H10 | 90.1° | 90.0° |
CAL | CAM | CAN | H11 | 150.0° | 150.0° |
CAL | CAM | CAN | H12 | 30.0° | 30.0° |
CAL | CAM | CAO | H13 | 179.8° | 180.0° |
CAN | CAM | CAO | CAP | 179.9° | 180.0° |
CAN | CAM | CAL | H9 | 0.2° | 0.1° |
CAM | CAN | H10 | H11 | 120.0° | 120.0° |
CAM | CAN | H10 | H12 | 120.0° | 120.0° |
CAM | CAN | H11 | H12 | 120.0° | 120.0° |
CAN | CAM | CAO | H13 | 0.1° | 0.0° |
CAM | CAO | CAP | H13 | 180.0° | 179.9° |
CAO | CAM | CAL | H9 | 179.7° | 180.0° |
CAO | CAM | CAN | H10 | 90.0° | 89.9° |
CAO | CAM | CAN | H11 | 29.9° | 30.0° |
CAO | CAM | CAN | H12 | 149.9° | 150.0° |
CAM | CAO | CAP | H14 | 179.6° | 179.9° |
NAS | CAT | NAU | SBF | 179.7° | 179.8° |
NAS | CAT | NAU | CAV | 179.8° | 180.0° |
NAS | CAT | SBF | CBE | 179.8° | 180.0° |
CAT | NAU | CAV | CAW | 180.0° | 179.9° |
CAT | NAU | CAV | CBE | 0.0° | 0.1° |
NAU | CAT | SBF | CBE | 0.1° | 0.2° |
NAU | CAT | NAS | H23 | 130.2° | 0.0° |
CAT | SBF | CBE | CAV | 0.0° | 0.2° |
SBF | CAT | NAU | CAV | 0.1° | 0.2° |
CAT | SBF | CBE | H22 | 180.0° | 179.8° |
SBF | CAT | NAS | H23 | 50.2° | 179.7° |
CAW | CAV | CBE | NAU | 179.9° | 179.9° |
CAV | CAW | CAX | CBD | 179.9° | 179.8° |
CAV | CAW | CAX | CAY | 180.0° | 180.0° |
CAV | CAW | CBD | CBC | 180.0° | 179.7° |
CAW | CAV | CBE | SBF | 179.9° | 180.0° |
CAV | CAW | CAX | H15 | 0.0° | 0.1° |
CAV | CAW | CBD | H21 | 0.0° | 0.0° |
CAW | CAV | CBE | H22 | 0.1° | 0.0° |
CBE | CAV | CAW | CAX | 135.8° | 180.0° |
CBE | CAV | CAW | CBD | 44.3° | 0.3° |
CAV | CBE | SBF | H22 | 180.0° | 180.0° |
NAU | CAV | CAW | CAX | 44.1° | 0.0° |
NAU | CAV | CAW | CBD | 135.8° | 179.8° |
NAU | CAV | CBE | SBF | 0.0° | 0.1° |
NAU | CAV | CBE | H22 | 180.0° | 179.9° |
CAW | CAX | CAY | H15 | 180.0° | 179.9° |
CAW | CAX | CAY | CAZ | 0.0° | 0.1° |
CAX | CAW | CBD | CBC | 0.2° | 0.5° |
CAW | CAX | CAY | H16 | 180.0° | 180.0° |
CAX | CAW | CBD | H21 | 179.9° | 179.8° |
CBD | CAW | CAX | CAY | 0.1° | 0.2° |
CAW | CBD | CBC | CAZ | 0.1° | 0.5° |
CAW | CBD | CBC | H21 | 180.0° | 179.7° |
CBD | CAW | CAX | H15 | 179.9° | 179.7° |
CAW | CBD | CBC | H20 | 179.9° | 179.7° |
CAX | CAY | CAZ | H16 | 180.0° | 179.9° |
CAX | CAY | CAZ | CBC | 0.0° | 0.0° |
CAX | CAY | CAZ | OBA | 179.9° | 179.9° |
CAY | CAZ | CBC | OBA | 179.9° | 180.0° |
CAY | CAZ | OBA | CBB | 169.0° | 180.0° |
CAY | CAZ | CBC | CBD | 0.0° | 0.3° |
CAZ | CAY | CAX | H15 | 180.0° | 180.0° |
CAY | CAZ | CBC | H20 | 180.0° | 180.0° |
CBC | CAZ | OBA | CBB | 11.0° | 0.0° |
CAZ | CBC | CBD | H20 | 180.0° | 179.8° |
CBC | CAZ | CAY | H16 | 180.0° | 180.0° |
CAZ | CBC | CBD | H21 | 179.9° | 179.7° |
OBA | CAZ | CBC | CBD | 179.9° | 179.7° |
OBA | CAZ | CAY | H16 | 0.0° | 0.0° |
CAZ | OBA | CBB | H17 | 180.0° | 60.0° |
CAZ | OBA | CBB | H18 | 60.0° | 60.0° |
CAZ | OBA | CBB | H19 | 60.0° | 180.0° |
OBA | CAZ | CBC | H20 | 0.1° | 0.0° |
OBA | CBB | H17 | H18 | 120.0° | 120.0° |
OBA | CBB | H17 | H19 | 120.0° | 120.0° |
OBA | CBB | H18 | H19 | 120.0° | 120.0° |
H1 | CB | CAE | H3 | 35.5° | 61.3° |
H1 | CB | CAE | H4 | 83.7° | 58.6° |
H1 | CB | CA | H26 | 2.2° | 54.8° |
H2 | CB | CAE | H3 | 153.5° | 178.6° |
H2 | CB | CAE | H4 | 34.3° | 61.4° |
H2 | CB | CA | H26 | 115.8° | 174.8° |
H3 | CAE | CAF | H5 | 62.7° | 61.2° |
H3 | CAE | CAF | H6 | 177.1° | 178.6° |
H4 | CAE | CAF | H5 | 56.5° | 58.7° |
H4 | CAE | CAF | H6 | 63.7° | 61.4° |
H5 | CAF | CAG | H7 | 59.7° | 65.6° |
H5 | CAF | CAG | H27 | 59.3° | 54.8° |
H6 | CAF | CAG | H7 | 60.6° | 54.5° |
H6 | CAF | CAG | H27 | 179.6° | 174.9° |
H8 | CAK | CAL | H9 | 0.5° | 0.1° |
H10 | CAN | H11 | H12 | 120.0° | 120.0° |
H13 | CAO | CAP | H14 | 0.4° | 0.0° |
H15 | CAX | CAY | H16 | 0.0° | 0.1° |
H17 | CBB | H18 | H19 | 120.0° | 120.1° |
H20 | CBC | CBD | H21 | 0.1° | 0.0° |