| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 61.8 | Low | 51.2 | Low | 234 Ų | 234 | 132.1 Ų | 132.1 | 100% | 1.153 | 83% | 0.83 | S | S | * | * | 0 | 76.1 | 0 | -45.8 | -49.1 | -175.5 | 0 | 0 | 107.1 | |||||
| 2 | A | 42.5 | Very low | 50.1 | Low | 95 Ų | 95 | 127.8 Ų | 127.8 | 79% | 0.785 | 83% | 0.83 | S | S | * | * | cis | 76.2 | 137.6 | 44 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 3 | S | 55.8 | Low | 49.6 | Very low | 113 Ų | 113 | 133.3 Ų | 133.3 | 79% | 0.79 | 83% | 0.833 | S | S | * | * | trans | 85 | 110.9 | -175.2 | -52 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 4 | S | 47.5 | Very low | 48.9 | Very low | 107 Ų | 107 | 132.6 Ų | 132.6 | 75% | 0.748 | 83% | 0.828 | S | S | * | * | 77 | 141.1 | 50.4 | -58.7 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 5 | T | 49.8 | Very low | 48.6 | Very low | 141 Ų | 141 | 135.1 Ų | 135.1 | 87% | 0.865 | 82% | 0.822 | S | S | * | * | cis | -168.2 | 151.3 | -10.5 | 22.2 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 6 | G | 56.7 | Low | 48.4 | Very low | 81 Ų | 81 | 133.5 Ų | 133.5 | 84% | 0.835 | 81% | 0.813 | S | S | * | * | trans | -168 | 83.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 7 | S | 44.5 | Very low | 48.9 | Very low | 106 Ų | 106 | 131.2 Ų | 131.2 | 74% | 0.741 | 80% | 0.801 | S | S | * | * | trans | -94.4 | 140.8 | 172.4 | -179.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 8 | L | 59.4 | Low | 49.3 | Very low | 151 Ų | 151 | 128.2 Ų | 128.2 | 79% | 0.791 | 79% | 0.785 | S | S | * | * | trans | -151.3 | 102.7 | 158 | -147.6 | 139.5 | 0 | 0 | 0 | 110 | ||||
| 9 | E | 45 | Very low | 49.1 | Very low | 173 Ų | 173 | 127.6 Ų | 127.6 | 81% | 0.808 | 78% | 0.783 | S | S | * | * | trans | -77 | 141.5 | 179.1 | -53.9 | -169.1 | 128.7 | 0 | 0 | 111.2 | ||||
| 10 | H | 52.5 | Low | 49.2 | Very low | 174 Ų | 174 | 129.7 Ų | 129.7 | 81% | 0.806 | 78% | 0.781 | S | S | * | * | trans | -141.2 | 115.3 | 163.3 | -94 | 54.5 | 0 | 0 | 0 | 111.6 | ||||
| 11 | G | 48.3 | Very low | 48.7 | Very low | 78 Ų | 78 | 131.5 Ų | 131.5 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | trans | 71 | 84.4 | 143.2 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 12 | G | 37.8 | Very low | 47.9 | Very low | 81 Ų | 81 | 126.7 Ų | 126.7 | 84% | 0.835 | 77% | 0.769 | S | S | * | * | trans | -67.2 | 133 | 162.3 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 13 | F | 43.3 | Very low | 47.9 | Very low | 199 Ų | 199 | 125.6 Ų | 125.6 | 87% | 0.873 | 76% | 0.756 | S | S | * | * | trans | -113.3 | 92 | 176.1 | -140.5 | -78.4 | 0 | 0 | 0 | 110.4 | F15 | F13-F15 PolarHBondContact O-N 3.16Š| ||
| 14 | T | 39.7 | Very low | 47.3 | Very low | 124 Ų | 124 | 128.7 Ų | 128.7 | 76% | 0.761 | 76% | 0.755 | S | S | * | * | trans | -77.4 | 103.8 | 178.4 | -52.6 | 0 | 0 | 0 | 0 | 110.2 | T16 | T14-T16 PolarHBondContact O-N 3.11Š| ||
| 15 | F | 45.2 | Very low | 47.4 | Very low | 169 Ų | 169 | 128.3 Ų | 128.3 | 74% | 0.741 | 75% | 0.749 | S | S | * | * | trans | -89.6 | 92.6 | 171.4 | -170.8 | -94.6 | 0 | 0 | 0 | 110.7 | F13 P17 | F13-F15 PolarHBondContact O-N 3.16Å; F15-P17 HydrophobicContact CE1-CB 4.42Å; F15-P17 WeakPolarHBondContact O-CD 3.28Å | ||
| 16 | T | 44.6 | Very low | 47.3 | Very low | 110 Ų | 110 | 129.7 Ų | 129.7 | 68% | 0.675 | 75% | 0.745 | S | S | * | * | trans | -81.3 | 113.7 | 171 | -53.1 | 0 | 0 | 0 | 0 | 109.6 | T14 | T14-T16 PolarHBondContact O-N 3.11Š| ||
| 17 | P | 56.2 | Low | 46.9 | Very low | 94 Ų | 94 | 133.7 Ų | 133.7 | 61% | 0.61 | 75% | 0.747 | S | S | * | * | trans | -72.2 | 135.8 | 174.1 | 30.1 | -33.5 | 0 | 0 | 0 | 110.3 | F15 | F15-P17 HydrophobicContact CE1-CB 4.42Å; F15-P17 WeakPolarHBondContact O-CD 3.28Å | ||
| 18 | P | 56.9 | Low | 47 | Very low | 77 Ų | 77 | 135.6 Ų | 135.6 | 50% | 0.5 | 75% | 0.748 | S | S | . | * | trans | -79.2 | 147.7 | -178.7 | 32 | -35.7 | 0 | 0 | 0 | 112.5 | F20 | P18-F20 HydrophobicContact CB-CD2 4.11Å; P18-F20 HydrophobicContact CB-CE1 4.08Å; P18-F20 HydrophobicContact CB-CE2 3.52Å; P18-F20 HydrophobicContact CB-CZ 3.5Å; P18-F20 HydrophobicContact CG-CD2 3.86Å; P18-F20 HydrophobicContact CG-CE2 3.37Å; P18-F20 HydrophobicContact CG-CZ 3.9Å; P18-F20 PolarHBondContact O-N 3.06Å; P18-F20 VanDerWaalsContact O-N 3.14Å | ||
| 19 | P | 45.7 | Very low | 46.2 | Very low | 117 Ų | 117 | 133.6 Ų | 133.6 | 76% | 0.76 | 75% | 0.747 | S | S | * | * | trans | -85.7 | 84.4 | -176.9 | 34.5 | -34.6 | 0 | 0 | 0 | 111.6 | ||||
| 20 | F | 51.8 | Low | 45.8 | Very low | 170 Ų | 170 | 131.1 Ų | 131.1 | 75% | 0.746 | 75% | 0.748 | S | S | * | * | trans | -112.7 | 89 | 172.8 | -48.1 | -44.1 | 0 | 0 | 0 | 110.9 | P18 T22 | P18-F20 HydrophobicContact CB-CD2 4.11Å; P18-F20 HydrophobicContact CB-CE1 4.08Å; P18-F20 HydrophobicContact CB-CE2 3.52Å; P18-F20 HydrophobicContact CB-CZ 3.5Å; P18-F20 HydrophobicContact CG-CD2 3.86Å; P18-F20 HydrophobicContact CG-CE2 3.37Å; P18-F20 HydrophobicContact CG-CZ 3.9Å; P18-F20 PolarHBondContact O-N 3.06Å; P18-F20 VanDerWaalsContact O-N 3.14Å; F20-T22 PolarHBondContact O-N 3.3Å | ||
| 21 | I | 38.9 | Very low | 45.4 | Very low | 167 Ų | 167 | 128.2 Ų | 128.2 | 86% | 0.856 | 75% | 0.754 | S | S | * | * | trans | -83.8 | 105.9 | 172.8 | -34.3 | 167.2 | 0 | 0 | 0 | 107.4 | ||||
| 22 | T | 43.5 | Very low | 45.1 | Very low | 133 Ų | 133 | 127.6 Ų | 127.6 | 82% | 0.816 | 75% | 0.748 | S | S | * | * | trans | -131.3 | 111.7 | 162.3 | 52.2 | 0 | 0 | 0 | 0 | 109.6 | F20 | F20-T22 PolarHBondContact O-N 3.3Š| ||
| 23 | S | 42.9 | Very low | 45.3 | Very low | 73 Ų | 73 | 131.1 Ų | 131.1 | 51% | 0.51 | 75% | 0.747 | S | S | . | * | trans | -67.5 | 146.8 | 177.4 | 83.4 | 0 | 0 | 0 | 0 | 110 | T25 | S23-T25 PolarHBondContact O-N 2.99Å; S23-T25 PolarHBondContact OG-OG1 2.74Å | ||
| 24 | F | 42.9 | Very low | 45.5 | Very low | 177 Ų | 177 | 130.5 Ų | 130.5 | 78% | 0.776 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.5 | 3 | -179.2 | 122.6 | -81.7 | 0 | 0 | 0 | 113.9 | ||
| 25 | T | 50.8 | Low | 45.5 | Very low | 100 Ų | 100 | 132.9 Ų | 132.9 | 61% | 0.613 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | -18.3 | -171.9 | -19 | 0 | 0 | 0 | 0 | 114.7 | S23 | S23-T25 PolarHBondContact O-N 2.99Å; S23-T25 PolarHBondContact OG-OG1 2.74Å |
| 26 | E | 47.5 | Very low | 45.1 | Very low | 169 Ų | 169 | 128.6 Ų | 128.6 | 79% | 0.79 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -94.7 | -11.4 | -175.2 | -64.7 | -143.4 | 128 | 0 | 0 | 115.1 | L28 | E26-L28 PolarHBondContact O-N 3.37Š|
| 27 | L | 48.5 | Very low | 44.9 | Very low | 165 Ų | 165 | 128.5 Ų | 128.5 | 86% | 0.864 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.5 | 14.1 | -175.6 | -73.4 | 171.4 | 0 | 0 | 0 | 114.9 | ||
| 28 | L | 44.7 | Very low | 44.1 | Very low | 147 Ų | 147 | 127.4 Ų | 127.4 | 77% | 0.77 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.4 | 1.3 | -175.3 | -74.9 | 163.9 | 0 | 0 | 0 | 114.3 | E26 | E26-L28 PolarHBondContact O-N 3.37Š|
| 29 | S | 43.4 | Very low | 43.4 | Very low | 109 Ų | 109 | 128.4 Ų | 128.4 | 76% | 0.762 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -111.7 | 7.8 | -169.1 | -56 | 0 | 0 | 0 | 0 | 115.4 | ||
| 30 | S | 37.1 | Very low | 43.4 | Very low | 121 Ų | 121 | 130.3 Ų | 130.3 | 85% | 0.846 | 80% | 0.795 | S | S | * | * | trans | -145.4 | 87 | -178 | -167.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 31 | A | 44.2 | Very low | 42.9 | Very low | 112 Ų | 112 | 130.4 Ų | 130.4 | 93% | 0.926 | 80% | 0.798 | S | S | * | * | trans | -167.2 | 55.8 | 164.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 32 | G | 41.9 | Very low | 42.8 | Very low | 65 Ų | 65 | 130.4 Ų | 130.4 | 67% | 0.67 | 79% | 0.794 | S | S | * | * | trans | -105.7 | 145.7 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 33 | D | 41.6 | Very low | 42.7 | Very low | 155 Ų | 155 | 134.7 Ų | 134.7 | 83% | 0.829 | 80% | 0.795 | S | S | * | * | trans | 62.3 | 108.4 | 165.9 | -55.4 | -45.9 | 0 | 0 | 0 | 119.4 | ||||
| 34 | M | 46.8 | Very low | 42.7 | Very low | 186 Ų | 186 | 135.8 Ų | 135.8 | 92% | 0.916 | 80% | 0.803 | S | S | * | * | -173.8 | 152.4 | 110.4 | -96.2 | -69.9 | 143.4 | 0 | 0 | 112 | |||||
| 35 | L | 40.3 | Very low | 42.4 | Very low | 175 Ų | 175 | 132.9 Ų | 132.9 | 92% | 0.916 | 80% | 0.804 | S | S | * | * | trans | -116.5 | 152.4 | -164.8 | -73.1 | 163.7 | 0 | 0 | 0 | 114.2 | ||||
| 36 | G | 37.2 | Very low | 42.5 | Very low | 79 Ų | 79 | 133 Ų | 133 | 81% | 0.814 | 81% | 0.807 | S | S | * | * | trans | 88.5 | 162.1 | 159.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 37 | A | 40.8 | Very low | 42.4 | Very low | 107 Ų | 107 | 136.9 Ų | 136.9 | 88% | 0.884 | 82% | 0.815 | S | S | * | * | cis | -171.1 | 158.9 | -16.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 38 | G | 38.9 | Very low | 42 | Very low | 72 Ų | 72 | 132.8 Ų | 132.8 | 74% | 0.742 | 81% | 0.812 | S | S | * | * | trans | 93.4 | 125.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 39 | A | 42.4 | Very low | 42.1 | Very low | 97 Ų | 97 | 133.4 Ų | 133.4 | 80% | 0.802 | 82% | 0.815 | S | S | * | * | 80.5 | 135.4 | 61.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 40 | D | 44.5 | Very low | 42 | Very low | 158 Ų | 158 | 136.5 Ų | 136.5 | 85% | 0.845 | 82% | 0.815 | S | S | * | * | cis | -165.1 | -175.5 | -3.2 | -139.2 | -49.8 | 0 | 0 | 0 | 111.1 | ||||
| 41 | Q | 41.5 | Very low | 42.3 | Very low | 171 Ų | 171 | 140.2 Ų | 140.2 | 80% | 0.799 | 82% | 0.819 | S | S | * | * | trans | 90.5 | 87.2 | 150 | -157.5 | 142.9 | 102.8 | 0 | 0 | 123 | ||||
| 42 | E | 38.4 | Very low | 42.1 | Very low | 167 Ų | 167 | 146.6 Ų | 146.6 | 78% | 0.78 | 82% | 0.819 | S | S | * | * | 22 | 131.8 | 116.5 | -84.6 | -90.4 | 82 | 0 | 0 | 121.8 | |||||
| 43 | R | 40.9 | Very low | 41.9 | Very low | 223 Ų | 223 | 147.5 Ų | 147.5 | 84% | 0.842 | 83% | 0.828 | S | S | * | * | -175.1 | 133.5 | 119.8 | -116.8 | -178.5 | 173.9 | -103.5 | 4.5 | 118.7 | |||||
| 44 | S | 41.5 | Very low | 41.9 | Very low | 96 Ų | 96 | 144.9 Ų | 144.9 | 67% | 0.671 | 83% | 0.828 | S | S | * | * | trans | 94 | 127.1 | 140.3 | -44.2 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 45 | S | 37.5 | Very low | 41.9 | Very low | 116 Ų | 116 | 148.4 Ų | 148.4 | 81% | 0.811 | 83% | 0.831 | S | S | * | * | trans | -133.4 | -150.8 | -177.4 | -138.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 46 | P | 52.7 | Low | 42.1 | Very low | 104 Ų | 104 | 143.5 Ų | 143.5 | 68% | 0.675 | 82% | 0.823 | S | S | * | * | cis | -135.9 | -154.9 | -48 | 36.5 | -15.8 | 0 | 0 | 0 | 113.4 | ||||
| 47 | R | 45.2 | Very low | 42.5 | Very low | 250 Ų | 250 | 146.2 Ų | 146.2 | 94% | 0.943 | 82% | 0.824 | S | S | * | * | trans | 96.2 | 141.3 | 166.5 | -57.9 | 173.5 | 166.4 | 162.2 | -4.1 | 114.9 | ||||
| 48 | G | 41.6 | Very low | 43.3 | Very low | 78 Ų | 78 | 146.3 Ų | 146.3 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | cis | -168.7 | -171.2 | -3.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 49 | L | 45.3 | Very low | 44 | Very low | 160 Ų | 160 | 151.9 Ų | 151.9 | 84% | 0.838 | 82% | 0.819 | S | S | * | * | cis | -156.8 | -179.6 | 1 | -168.1 | 62.5 | 0 | 0 | 0 | 109 | ||||
| 50 | F | 41.9 | Very low | 44.6 | Very low | 175 Ų | 175 | 156.5 Ų | 156.5 | 77% | 0.768 | 82% | 0.821 | S | S | * | * | trans | -86.3 | 161.1 | -172.1 | -45.9 | -89.5 | 0 | 0 | 0 | 116.4 | ||||
| 51 | H | 43 | Very low | 45.4 | Very low | 199 Ų | 199 | 158.3 Ų | 158.3 | 92% | 0.921 | 82% | 0.822 | S | S | * | * | -165.8 | 174.4 | 119 | -107.6 | -72.8 | 0 | 0 | 0 | 113.6 | |||||
| 52 | R | 40 | Very low | 46.1 | Very low | 245 Ų | 245 | 155.8 Ų | 155.8 | 93% | 0.925 | 82% | 0.823 | S | S | * | * | trans | -132.1 | 133.2 | -148.1 | -179.7 | -168.6 | -167.9 | -167.6 | 7.3 | 111.8 | ||||
| 53 | G | 38.1 | Very low | 47.3 | Very low | 84 Ų | 84 | 152.3 Ų | 152.3 | 87% | 0.866 | 82% | 0.823 | S | S | * | * | trans | -165.9 | 108.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 54 | A | 40.6 | Very low | 48.3 | Very low | 101 Ų | 101 | 150.5 Ų | 150.5 | 84% | 0.835 | 82% | 0.824 | S | S | * | * | trans | -129.5 | 126.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 55 | R | 48.2 | Very low | 49.3 | Very low | 259 Ų | 259 | 151.3 Ų | 151.3 | 98% | 0.977 | 83% | 0.827 | S | S | * | * | trans | -148.1 | 146 | 171.9 | -74.8 | -172.6 | 174.2 | -125.6 | 1 | 109.2 | ||||
| 56 | G | 43.6 | Very low | 50.7 | Low | 72 Ų | 72 | 151.4 Ų | 151.4 | 74% | 0.742 | 83% | 0.825 | S | S | * | * | trans | 107.2 | 98.5 | 166.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 57 | V | 46.4 | Very low | 50.8 | Low | 137 Ų | 137 | 152 Ų | 152 | 83% | 0.83 | 83% | 0.832 | S | S | * | * | trans | -110.8 | 113.2 | 167.3 | -178.2 | 0 | 0 | 0 | 0 | 108.3 | K59 | V57-K59 PolarHBondContact O-N 2.9Š| ||
| 58 | P | 57.7 | Low | 51.2 | Low | 108 Ų | 108 | 147.9 Ų | 147.9 | 70% | 0.701 | 83% | 0.827 | S | S | * | * | trans | -71.4 | 121.4 | 170.4 | -19.3 | 33.6 | 0 | 0 | 0 | 110.7 | ||||
| 59 | K | 52.5 | Low | 52 | Low | 189 Ų | 189 | 149.4 Ų | 149.4 | 82% | 0.822 | 82% | 0.823 | S | S | * | * | trans | -102 | 91.1 | -174.8 | -168.7 | -175 | -173.4 | 104.7 | 0 | 110 | V57 K61 | V57-K59 PolarHBondContact O-N 2.9Å; K59-K61 PolarHBondContact O-N 3.23Å | ||
| 60 | F | 55.7 | Low | 52.2 | Low | 195 Ų | 195 | 149.7 Ų | 149.7 | 86% | 0.855 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 118.6 | 173.2 | 25.5 | -90.8 | 0 | 0 | 0 | 110.5 | ||
| 61 | K | 60.6 | Low | 52.4 | Low | 196 Ų | 196 | 146.7 Ų | 146.7 | 85% | 0.852 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 122.3 | 173.7 | -68.9 | 177.8 | 169.8 | -176 | 0 | 109.1 | K59 | K59-K61 PolarHBondContact O-N 3.23Š|
| 62 | S | 55.7 | Low | 53.2 | Low | 117 Ų | 117 | 142.5 Ų | 142.5 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 129 | 161.4 | 47.8 | 0 | 0 | 0 | 0 | 109.4 | ||
| 63 | A | 64.4 | Low | 54.4 | Low | 95 Ų | 95 | 135.4 Ų | 135.4 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 131.2 | 163.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||
| 64 | Q | 61.5 | Low | 55.3 | Low | 184 Ų | 184 | 137.6 Ų | 137.6 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 133 | 166.2 | -74.6 | 178.8 | -63.8 | 0 | 0 | 108.7 | ||
| 65 | P | 64.3 | Low | 55.8 | Low | 113 Ų | 113 | 140.7 Ų | 140.7 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -66 | 145.1 | 163 | 29.5 | -33 | 0 | 0 | 0 | 109.2 | ||
| 66 | P | 65.8 | Low | 55.7 | Low | 119 Ų | 119 | 133.7 Ų | 133.7 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 136.4 | 179 | 26.2 | -33.9 | 0 | 0 | 0 | 111.2 | L68 | P66-L68 PolarHBondContact O-N 3.44Š|
| 67 | S | 54 | Low | 56.2 | Low | 117 Ų | 117 | 137 Ų | 137 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | -69.8 | 111.3 | 174.2 | 51.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 68 | L | 55 | Low | 56.2 | Low | 163 Ų | 163 | 135.1 Ų | 135.1 | 85% | 0.853 | 79% | 0.791 | S | S | * | * | trans | -76.5 | 125.6 | 166.9 | -67.8 | 175.3 | 0 | 0 | 0 | 109.4 | P66 | P66-L68 PolarHBondContact O-N 3.44Š| ||
| 69 | P | 57.5 | Low | 55.7 | Low | 109 Ų | 109 | 134.6 Ų | 134.6 | 71% | 0.708 | 79% | 0.79 | S | S | * | * | trans | -74.4 | 146.5 | 161.5 | 33.8 | -32.4 | 0 | 0 | 0 | 108.8 | ||||
| 70 | I | 50.3 | Low | 55.6 | Low | 166 Ų | 166 | 136.3 Ų | 136.3 | 85% | 0.851 | 79% | 0.793 | S | S | * | * | trans | 161.4 | 105.9 | 149.4 | -84.2 | 150.5 | 0 | 0 | 0 | 106.5 | ||||
| 71 | S | 44.8 | Very low | 55.6 | Low | 112 Ų | 112 | 136.2 Ų | 136.2 | 78% | 0.783 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -98.2 | 117.8 | 167.8 | 55.8 | 0 | 0 | 0 | 0 | 109.3 | ||
| 72 | P | 59.6 | Low | 55.2 | Low | 111 Ų | 111 | 131.3 Ų | 131.3 | 72% | 0.721 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 140.5 | 161.7 | 31.1 | -30.3 | 0 | 0 | 0 | 109.9 | ||
| 73 | P | 65.2 | Low | 55.3 | Low | 96 Ų | 96 | 130.8 Ų | 130.8 | 62% | 0.623 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 156.5 | 177.1 | 30.3 | -35.2 | 0 | 0 | 0 | 112 | M75 | P73-M75 PolarHBondContact O-N 3.39Š|
| 74 | P | 58.9 | Low | 55 | Low | 131 Ų | 131 | 130.4 Ų | 130.4 | 85% | 0.851 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 124.2 | 178 | 29.5 | -33.9 | 0 | 0 | 0 | 110.5 | ||
| 75 | M | 49.8 | Very low | 54.9 | Low | 166 Ų | 166 | 128.3 Ų | 128.3 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | trans | -111.2 | 127.2 | 177.7 | -48.8 | -144.6 | 87.2 | 0 | 0 | 110 | P73 | P73-M75 PolarHBondContact O-N 3.39Š| ||
| 76 | S | 47.2 | Very low | 54.5 | Low | 111 Ų | 111 | 126.6 Ų | 126.6 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | trans | -63 | 140.9 | -177.7 | -64.2 | 0 | 0 | 0 | 0 | 112.4 | S78 | S76-S78 PolarHBondContact O-N 3.49Š| ||
| 77 | P | 52.6 | Low | 54 | Low | 141 Ų | 141 | 127.1 Ų | 127.1 | 92% | 0.916 | 77% | 0.765 | S | S | * | * | trans | -74 | 94.3 | 172.2 | 30.6 | -33.2 | 0 | 0 | 0 | 110.2 | ||||
| 78 | S | 46.3 | Very low | 53.7 | Low | 99 Ų | 99 | 125.7 Ų | 125.7 | 69% | 0.692 | 76% | 0.755 | S | S | * | * | trans | -145.2 | 128.4 | 170.5 | -178.4 | 0 | 0 | 0 | 0 | 110 | S76 | S76-S78 PolarHBondContact O-N 3.49Š| ||
| 79 | S | 47.2 | Very low | 53.7 | Low | 96 Ų | 96 | 123 Ų | 123 | 67% | 0.671 | 75% | 0.748 | S | S | * | * | trans | 55.1 | 95 | 164 | -158.6 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 80 | Y | 51 | Low | 53.7 | Low | 226 Ų | 226 | 121.5 Ų | 121.5 | 89% | 0.886 | 74% | 0.744 | S | S | * | * | trans | -134.6 | 78.7 | 146.5 | -87.5 | -78.9 | 0 | 0 | 0 | 110.1 | ||||
| 81 | F | 56.3 | Low | 53.9 | Low | 193 Ų | 193 | 121.6 Ų | 121.6 | 85% | 0.846 | 74% | 0.741 | S | S | * | * | trans | -95.1 | 89.4 | 153.4 | -80.7 | -80 | 0 | 0 | 0 | 107.8 | I83 | F81-I83 PolarHBondContact O-N 3.07Š| ||
| 82 | A | 52.4 | Low | 54.5 | Low | 92 Ų | 92 | 123.9 Ų | 123.9 | 76% | 0.76 | 74% | 0.743 | S | S | * | * | trans | -85.1 | 92.9 | 172 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 83 | I | 56.7 | Low | 54.3 | Low | 106 Ų | 106 | 126.6 Ų | 126.6 | 54% | 0.544 | 75% | 0.751 | S | S | . | * | P | Polyproline II helix | trans | -79.6 | 125.6 | 171.4 | -63.4 | 166.4 | 0 | 0 | 0 | 107.4 | F81 | F81-I83 PolarHBondContact O-N 3.07Š|
| 84 | P | 57.9 | Low | 53.7 | Low | 88 Ų | 88 | 128.9 Ų | 128.9 | 57% | 0.571 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 138.2 | 174.4 | 27 | -33.2 | 0 | 0 | 0 | 110.1 | G86 | P84-G86 PolarHBondContact O-N 3.11Å; P84-G86 VanDerWaalsContact O-N 3.16Å |
| 85 | P | 60.5 | Low | 52.7 | Low | 140 Ų | 140 | 128.4 Ų | 128.4 | 91% | 0.909 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.9 | 119.2 | -179.5 | 25.9 | -33.7 | 0 | 0 | 0 | 110.2 | ||
| 86 | G | 54.7 | Low | 52.5 | Low | 76 Ų | 76 | 125.1 Ų | 125.1 | 78% | 0.784 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 146.4 | -23.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115 | P84 | P84-G86 PolarHBondContact O-N 3.11Å; P84-G86 VanDerWaalsContact O-N 3.16Å |
| 87 | L | 57.2 | Low | 52.5 | Low | 131 Ų | 131 | 125.6 Ų | 125.6 | 69% | 0.686 | 75% | 0.747 | S | S | * | * | trans | -104.6 | 102.8 | 178.6 | -61 | -178.5 | 0 | 0 | 0 | 111.1 | P89 | L87-P89 VanDerWaalsContact O-CD 3.28Å; L87-P89 WeakPolarHBondContact O-CD 3.29Å | ||
| 88 | S | 47.5 | Very low | 52.3 | Low | 86 Ų | 86 | 125.5 Ų | 125.5 | 60% | 0.601 | 74% | 0.738 | S | S | * | * | trans | -71.4 | 118.3 | 169 | 179 | 0 | 0 | 0 | 0 | 110 | A90 | S88-A90 PolarHBondContact O-N 3.09Š| ||
| 89 | P | 55.2 | Low | 52.3 | Low | 108 Ų | 108 | 127.5 Ų | 127.5 | 70% | 0.701 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.3 | 12.9 | -179.3 | -18.7 | 34.8 | 0 | 0 | 0 | 115.2 | L87 | L87-P89 VanDerWaalsContact O-CD 3.28Å; L87-P89 WeakPolarHBondContact O-CD 3.29Å |
| 90 | A | 56.6 | Low | 51.8 | Low | 76 Ų | 76 | 130.5 Ų | 130.5 | 63% | 0.628 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | -16.1 | -174 | 0 | 0 | 0 | 0 | 0 | 115 | S88 | S88-A90 PolarHBondContact O-N 3.09Š|
| 91 | E | 54.4 | Low | 51.1 | Low | 168 Ų | 168 | 125.5 Ų | 125.5 | 79% | 0.785 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -90.6 | -5.8 | -170.3 | -64 | -91.8 | 115 | 0 | 0 | 114.2 | L93 | E91-L93 PolarHBondContact O-N 2.6Å; E91-L93 VanDerWaalsContact O-N 3.11Å |
| 92 | L | 56.4 | Low | 50.4 | Low | 161 Ų | 161 | 122.2 Ų | 122.2 | 84% | 0.843 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.8 | 14.7 | -171.5 | -89.8 | 171.4 | 0 | 0 | 0 | 115.6 | ||
| 93 | L | 57.5 | Low | 50 | Low | 168 Ų | 168 | 123 Ų | 123 | 88% | 0.88 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.4 | 3.7 | -172.8 | -70.8 | 178.5 | 0 | 0 | 0 | 115.8 | E91 | E91-L93 PolarHBondContact O-N 2.6Å; E91-L93 VanDerWaalsContact O-N 3.11Å |
| 94 | D | 50.7 | Low | 49.7 | Very low | 144 Ų | 144 | 125.1 Ų | 125.1 | 77% | 0.77 | 75% | 0.754 | S | S | * | * | trans | -139.3 | 87 | 177.7 | -163.8 | 33.9 | 0 | 0 | 0 | 113.5 | ||||
| 95 | S | 39.2 | Very low | 49.2 | Very low | 120 Ų | 120 | 127.9 Ų | 127.9 | 84% | 0.839 | 76% | 0.763 | S | S | * | * | trans | -163.6 | 100.8 | 154.3 | -164.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 96 | P | 44.6 | Very low | 48.6 | Very low | 98 Ų | 98 | 129.1 Ų | 129.1 | 64% | 0.636 | 76% | 0.761 | S | S | * | * | trans | -89 | 175.1 | 164 | 33.6 | -29.8 | 0 | 0 | 0 | 112.2 | ||||
| 97 | V | 47.1 | Very low | 48.1 | Very low | 121 Ų | 121 | 130.3 Ų | 130.3 | 73% | 0.733 | 76% | 0.764 | S | S | * | * | trans | 81.4 | 136.6 | 162.6 | -138 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 98 | L | 49.5 | Very low | 47.3 | Very low | 139 Ų | 139 | 129.9 Ų | 129.9 | 73% | 0.728 | 77% | 0.771 | S | S | * | * | trans | 77.2 | 132.8 | 162.3 | -49.1 | -178.5 | 0 | 0 | 0 | 116.1 | ||||
| 99 | L | 45.3 | Very low | 47.2 | Very low | 140 Ų | 140 | 131.5 Ų | 131.5 | 73% | 0.733 | 78% | 0.78 | S | S | * | * | cis | -142.3 | 131.4 | 2.9 | -65.7 | 174.1 | 0 | 0 | 0 | 109 | ||||
| 100 | H | 37.8 | Very low | 47 | Very low | 159 Ų | 159 | 132.8 Ų | 132.8 | 74% | 0.736 | 79% | 0.786 | S | S | * | * | 58.6 | 133 | 92.6 | -58.9 | 115.1 | 0 | 0 | 0 | 118.9 | |||||
| 101 | S | 35.9 | Very low | 46.7 | Very low | 122 Ų | 122 | 135.8 Ų | 135.8 | 85% | 0.853 | 80% | 0.796 | S | S | * | * | trans | 103.5 | 79 | 147.8 | -55.3 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 102 | S | 42 | Very low | 46.4 | Very low | 124 Ų | 124 | 131.1 Ų | 131.1 | 87% | 0.867 | 79% | 0.794 | S | S | * | * | trans | -162.7 | 78.5 | 136.5 | 50.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 103 | S | 43.1 | Very low | 45.8 | Very low | 108 Ų | 108 | 128.4 Ų | 128.4 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | trans | -73.5 | 126 | 167.8 | 50.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 104 | N | 50 | Low | 45.6 | Very low | 150 Ų | 150 | 127.9 Ų | 127.9 | 80% | 0.802 | 79% | 0.791 | S | S | * | * | trans | -176.7 | 140.4 | 138.5 | -96.6 | -30.6 | 0 | 0 | 0 | 113.6 | ||||
| 105 | I | 48.7 | Very low | 45.9 | Very low | 146 Ų | 146 | 126.3 Ų | 126.3 | 75% | 0.749 | 79% | 0.789 | S | S | * | * | trans | 78.7 | 84.2 | 157.2 | -55 | 154 | 0 | 0 | 0 | 117.9 | ||||
| 106 | L | 47.1 | Very low | 46.2 | Very low | 167 Ų | 167 | 125.6 Ų | 125.6 | 87% | 0.874 | 79% | 0.79 | S | S | * | * | 53.2 | 113.4 | 125.5 | -61.5 | 171.6 | 0 | 0 | 0 | 120.5 | |||||
| 107 | A | 44.3 | Very low | 46.3 | Very low | 101 Ų | 101 | 129 Ų | 129 | 84% | 0.835 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -102.1 | 134.6 | 158.6 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 108 | S | 39.5 | Very low | 46.1 | Very low | 121 Ų | 121 | 135 Ų | 135 | 85% | 0.846 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 139.9 | -179.9 | -56.1 | 0 | 0 | 0 | 0 | 113 | ||
| 109 | P | 45.5 | Very low | 46.2 | Very low | 121 Ų | 121 | 138 Ų | 138 | 79% | 0.786 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -92.9 | 120.9 | 177 | 34.2 | -30.8 | 0 | 0 | 0 | 112.2 | ||
| 110 | T | 50.9 | Low | 46.6 | Very low | 135 Ų | 135 | 136.4 Ų | 136.4 | 83% | 0.828 | 81% | 0.807 | S | S | * | * | trans | -162.7 | 143.7 | 160.7 | -86 | 0 | 0 | 0 | 0 | 111 | ||||
| 111 | T | 51.6 | Low | 47.5 | Very low | 138 Ų | 138 | 138 Ų | 138 | 85% | 0.847 | 81% | 0.806 | S | S | * | * | S | Bend | trans | 73.1 | 107.1 | -177.4 | -52.4 | 0 | 0 | 0 | 0 | 114.6 | ||
| 112 | G | 47.4 | Very low | 48.4 | Very low | 71 Ų | 71 | 138.6 Ų | 138.6 | 73% | 0.732 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 156.8 | -172.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 113 | A | 43.2 | Very low | 49 | Very low | 104 Ų | 104 | 140.6 Ų | 140.6 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 127.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 114 | I | 54.8 | Low | 49.4 | Very low | 157 Ų | 157 | 138.5 Ų | 138.5 | 81% | 0.805 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 127.8 | 163.6 | -62.6 | 166.8 | 0 | 0 | 0 | 107.4 | A116 | I114-A116 PolarHBondContact O-N 3.48Š|
| 115 | P | 55.7 | Low | 49.6 | Very low | 111 Ų | 111 | 133.9 Ų | 133.9 | 72% | 0.721 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 120.7 | 174.6 | 26.5 | -32.9 | 0 | 0 | 0 | 110 | Q117 | P115-Q117 PolarHBondContact O-N 3.25Š|
| 116 | A | 45.8 | Very low | 50 | Low | 105 Ų | 105 | 132.4 Ų | 132.4 | 87% | 0.868 | 75% | 0.752 | S | S | * | * | trans | -72.4 | 86.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | I114 | I114-A116 PolarHBondContact O-N 3.48Š| ||
| 117 | Q | 47.5 | Very low | 50.3 | Low | 170 Ų | 170 | 130.4 Ų | 130.4 | 79% | 0.794 | 74% | 0.741 | S | S | * | * | trans | -73.8 | 132.6 | 163.8 | -74.4 | -164.2 | -35.9 | 0 | 0 | 110.6 | P115 F119 | P115-Q117 PolarHBondContact O-N 3.25Å; Q117-F119 PolarHBondContact O-N 3.42Å; Q117-F119 VanDerWaalsContact O-N 3.09Å | ||
| 118 | R | 43.4 | Very low | 50.8 | Low | 247 Ų | 247 | 132.4 Ų | 132.4 | 93% | 0.932 | 74% | 0.737 | S | S | * | * | trans | -75.8 | 93.6 | -171.4 | -168.2 | 178.9 | -169.3 | 160.8 | 0.9 | 110.1 | D120 | R118-D120 PolarHBondContact O-N 3.35Å; R118-D120 VanDerWaalsContact O-N 3.11Å | ||
| 119 | F | 50.3 | Low | 51.5 | Low | 202 Ų | 202 | 130.1 Ų | 130.1 | 89% | 0.886 | 73% | 0.725 | S | S | * | * | trans | -66.6 | 106.8 | 175.7 | -90.6 | -91.1 | 0 | 0 | 0 | 111.4 | Q117 W121 | Q117-F119 PolarHBondContact O-N 3.42Å; Q117-F119 VanDerWaalsContact O-N 3.09Å; F119-W121 PolarHBondContact O-N 3.22Å | ||
| 120 | D | 54.5 | Low | 51.7 | Low | 105 Ų | 105 | 128.7 Ų | 128.7 | 56% | 0.561 | 72% | 0.718 | S | S | * | * | trans | -89.8 | 93.2 | 174.5 | -164.2 | -12.7 | 0 | 0 | 0 | 110.5 | R118 K122 K123 | R118-D120 PolarHBondContact O-N 3.35Å; R118-D120 VanDerWaalsContact O-N 3.11Å; D120-K122 PolarHBondContact O-N 3.39Å; D120-K122 VanDerWaalsContact O-N 3.07Å; D120-K122 PolarHBondContact OD1-N 3.33Å; D120-K123 PolarHBondContact O-N 3.26Å | ||
| 121 | W | 56.8 | Low | 51.6 | Low | 192 Ų | 192 | 130.6 Ų | 130.6 | 73% | 0.727 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.6 | -15.7 | -174.8 | 66 | -86 | 0 | 0 | 0 | 114.4 | F119 A124 | F119-W121 PolarHBondContact O-N 3.22Å; W121-A124 PolarHBondContact O-N 3.13Å |
| 122 | K | 53.2 | Low | 51.1 | Low | 136 Ų | 136 | 128.6 Ų | 128.6 | 59% | 0.591 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.8 | -37.5 | -178.3 | -81.7 | -178.7 | 168.8 | -178.6 | 0 | 113.3 | D120 A124 A125 | D120-K122 PolarHBondContact O-N 3.39Å; D120-K122 VanDerWaalsContact O-N 3.07Å; D120-K122 PolarHBondContact OD1-N 3.33Å; K122-A124 VanDerWaalsContact C-N 3.26Å; K122-A124 PolarHBondContact O-N 3.25Å; K122-A125 PolarHBondContact O-N 3.24Å |
| 123 | K | 54.8 | Low | 50.9 | Low | 166 Ų | 166 | 134 Ų | 134 | 72% | 0.722 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -70.8 | -19.2 | 179.2 | -76.9 | -173.1 | 172.6 | -175.8 | 0 | 114.1 | D120 A125 | D120-K123 PolarHBondContact O-N 3.26Å; K123-A125 VanDerWaalsContact C-N 3.35Å |
| 124 | A | 51.5 | Low | 50.9 | Low | 63 Ų | 63 | 137.5 Ų | 137.5 | 52% | 0.521 | 71% | 0.714 | S | S | . | * | H | α-helix | trans | -81 | -13.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | W121 K122 | W121-A124 PolarHBondContact O-N 3.13Å; K122-A124 VanDerWaalsContact C-N 3.26Å; K122-A124 PolarHBondContact O-N 3.25Å |
| 125 | A | 56.1 | Low | 50.2 | Low | 53 Ų | 53 | 137.6 Ų | 137.6 | 44% | 0.438 | 72% | 0.716 | S | S | . | * | H | α-helix | trans | -81.7 | -41.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | K122 K123 L127 I128 A129 | K122-A125 PolarHBondContact O-N 3.24Å; K123-A125 VanDerWaalsContact C-N 3.35Å; A125-L127 PolarHBondContact O-N 3.45Å; A125-I128 PolarHBondContact O-N 3.25Å; A125-A129 PolarHBondContact O-N 2.98Å |
| 126 | D | 55.5 | Low | 49.3 | Very low | 116 Ų | 116 | 135.5 Ų | 135.5 | 62% | 0.62 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -69.4 | -32.3 | -175.1 | -64.2 | -28.7 | 0 | 0 | 0 | 112.8 | I128 A129 S130 | D126-I128 PolarHBondContact O-N 2.84Å; D126-A129 PolarHBondContact O-N 2.84Å; D126-A129 VanDerWaalsContact O-N 3.13Å; D126-S130 PolarHBondContact O-N 3.49Å |
| 127 | L | 54.7 | Low | 49.1 | Very low | 124 Ų | 124 | 137.9 Ų | 137.9 | 65% | 0.649 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -67.1 | -16.6 | 176.5 | -89.5 | 158.4 | 0 | 0 | 0 | 114.5 | A125 | A125-L127 PolarHBondContact O-N 3.45Å |
| 128 | I | 53.8 | Low | 48.9 | Very low | 143 Ų | 143 | 134 Ų | 134 | 73% | 0.733 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -95 | -20.9 | 175.4 | -59.5 | 175.8 | 0 | 0 | 0 | 110.6 | A125 D126 | A125-I128 PolarHBondContact O-N 3.25Å; D126-I128 PolarHBondContact O-N 2.84Å |
| 129 | A | 54.8 | Low | 48.7 | Very low | 74 Ų | 74 | 133.3 Ų | 133.3 | 61% | 0.612 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -84.9 | -17.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | A125 D126 | A125-A129 PolarHBondContact O-N 2.98Å; D126-A129 PolarHBondContact O-N 2.84Å; D126-A129 VanDerWaalsContact O-N 3.13Å |
| 130 | S | 49.8 | Very low | 48.2 | Very low | 91 Ų | 91 | 128.6 Ų | 128.6 | 64% | 0.636 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -95.7 | 14.5 | -175.6 | 71.2 | 0 | 0 | 0 | 0 | 115.2 | D126 | D126-S130 PolarHBondContact O-N 3.49Š|
| 131 | Q | 47.8 | Very low | 47.4 | Very low | 175 Ų | 175 | 128.7 Ų | 128.7 | 82% | 0.818 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -111.9 | 20.1 | -172.3 | -136 | 174.2 | 81.4 | 0 | 0 | 113.9 | ||
| 132 | S | 41.1 | Very low | 46.6 | Very low | 96 Ų | 96 | 125 Ų | 125 | 67% | 0.671 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -137.9 | 59.7 | -177.1 | 66.2 | 0 | 0 | 0 | 0 | 113.6 | ||
| 133 | Q | 44.2 | Very low | 46.1 | Very low | 184 Ų | 184 | 122.1 Ų | 122.1 | 86% | 0.86 | 74% | 0.735 | S | S | * | * | trans | -172.8 | 147.8 | 159.4 | -108.2 | 156.4 | 11.2 | 0 | 0 | 110.5 | ||||
| 134 | Q | 42.8 | Very low | 45.4 | Very low | 178 Ų | 178 | 118 Ų | 118 | 83% | 0.832 | 74% | 0.74 | S | S | * | * | trans | 69 | 146.8 | 174.2 | -58.5 | 177.2 | -2.8 | 0 | 0 | 117 | ||||
| 135 | D | 39.4 | Very low | 45.2 | Very low | 158 Ų | 158 | 124.5 Ų | 124.5 | 85% | 0.845 | 76% | 0.757 | S | S | * | * | cis | -161.2 | 178.5 | -37.2 | -117.2 | -49.9 | 0 | 0 | 0 | 108 | ||||
| 136 | G | 37.4 | Very low | 44.7 | Very low | 68 Ų | 68 | 129.3 Ų | 129.3 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | trans | -72.6 | 157.7 | -173.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 137 | D | 42.3 | Very low | 44.1 | Very low | 155 Ų | 155 | 130.6 Ų | 130.6 | 83% | 0.829 | 78% | 0.782 | S | S | * | * | trans | 91.8 | 129.9 | 141.3 | -126.4 | -34 | 0 | 0 | 0 | 122.5 | ||||
| 138 | S | 42 | Very low | 43.6 | Very low | 88 Ų | 88 | 133.8 Ų | 133.8 | 62% | 0.615 | 79% | 0.791 | S | S | * | * | trans | 66.4 | 106.5 | 148.3 | -75.8 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 139 | R | 40.5 | Very low | 43.2 | Very low | 233 Ų | 233 | 130.3 Ų | 130.3 | 88% | 0.879 | 78% | 0.78 | S | S | * | * | trans | 64.2 | 103.7 | 132.3 | -79 | -174.3 | 167.5 | 113.3 | -3.9 | 121.4 | ||||
| 140 | A | 38.3 | Very low | 42.8 | Very low | 103 Ų | 103 | 136.1 Ų | 136.1 | 85% | 0.851 | 79% | 0.791 | S | S | * | * | 60.8 | 97.7 | 117.1 | 0 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 141 | A | 39.2 | Very low | 42.3 | Very low | 106 Ų | 106 | 139.7 Ų | 139.7 | 88% | 0.876 | 80% | 0.798 | S | S | * | * | trans | -149.5 | 134.6 | 134.4 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 142 | A | 39.4 | Very low | 41.7 | Very low | 115 Ų | 115 | 137.9 Ų | 137.9 | 95% | 0.95 | 80% | 0.799 | S | S | * | * | trans | -88 | 134.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 143 | G | 43.3 | Very low | 41.6 | Very low | 76 Ų | 76 | 137.9 Ų | 137.9 | 78% | 0.784 | 81% | 0.805 | S | S | * | * | trans | -162.7 | 116.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 144 | G | 40.5 | Very low | 41.1 | Very low | 80 Ų | 80 | 135.8 Ų | 135.8 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | trans | -89.6 | 164.5 | -164.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 145 | F | 46.5 | Very low | 41.2 | Very low | 198 Ų | 198 | 132.7 Ų | 132.7 | 87% | 0.868 | 80% | 0.802 | S | S | * | * | trans | -147.1 | 142.7 | 145.5 | 60.8 | -90 | 0 | 0 | 0 | 108.1 | ||||
| 146 | D | 45.3 | Very low | 41.2 | Very low | 155 Ų | 155 | 132.4 Ų | 132.4 | 83% | 0.829 | 80% | 0.801 | S | S | * | * | trans | -82.6 | 158.8 | -158.7 | -62.8 | -86.3 | 0 | 0 | 0 | 116 | ||||
| 147 | D | 42.1 | Very low | 41.1 | Very low | 143 Ų | 143 | 133.8 Ų | 133.8 | 77% | 0.765 | 81% | 0.806 | S | S | * | * | trans | -77.5 | 136.4 | -176.3 | 178.4 | 37.3 | 0 | 0 | 0 | 113.3 | S149 | D147-S149 PolarHBondContact O-N 2.98Š| ||
| 148 | F | 46.2 | Very low | 41.2 | Very low | 191 Ų | 191 | 133.7 Ų | 133.7 | 84% | 0.838 | 81% | 0.81 | S | S | * | * | trans | -90.7 | 71.4 | 174.1 | -94.7 | -84.7 | 0 | 0 | 0 | 110.9 | ||||
| 149 | S | 45.3 | Very low | 40.8 | Very low | 70 Ų | 70 | 140.5 Ų | 140.5 | 49% | 0.49 | 82% | 0.823 | S | S | . | * | trans | -85.6 | 120.7 | 172.8 | -173.8 | 0 | 0 | 0 | 0 | 111.9 | D147 H151 | D147-S149 PolarHBondContact O-N 2.98Å; S149-H151 PolarHBondContact O-N 3.49Å | ||
| 150 | F | 45.2 | Very low | 40.6 | Very low | 196 Ų | 196 | 132.9 Ų | 132.9 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | trans | -77.5 | 87.7 | 177.9 | -75 | -90.2 | 0 | 0 | 0 | 111.6 | T152 | F150-T152 PolarHBondContact O-N 3.44Š| ||
| 151 | H | 38.8 | Very low | 40.8 | Very low | 165 Ų | 165 | 136.6 Ų | 136.6 | 76% | 0.764 | 81% | 0.809 | S | S | * | * | trans | -76.3 | 108.3 | 169.6 | -75.5 | -84.6 | 0 | 0 | 0 | 111.7 | S149 A153 | S149-H151 PolarHBondContact O-N 3.49Å; H151-A153 PolarHBondContact O-N 3.28Å; H151-A153 VanDerWaalsContact O-N 3.1Å | ||
| 152 | T | 36.6 | Very low | 40.3 | Very low | 137 Ų | 137 | 137.8 Ų | 137.8 | 84% | 0.84 | 81% | 0.806 | S | S | * | * | trans | -69.1 | 100.1 | 163.9 | 43.7 | 0 | 0 | 0 | 0 | 110.1 | F150 T154 | F150-T152 PolarHBondContact O-N 3.44Å; T152-T154 PolarHBondContact O-N 3.05Å | ||
| 153 | A | 39.3 | Very low | 40.3 | Very low | 97 Ų | 97 | 139 Ų | 139 | 80% | 0.802 | 80% | 0.801 | S | S | * | * | trans | -81 | 105.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | H151 | H151-A153 PolarHBondContact O-N 3.28Å; H151-A153 VanDerWaalsContact O-N 3.1Å | ||
| 154 | T | 32.2 | Very low | 39.7 | Very low | 140 Ų | 140 | 142 Ų | 142 | 86% | 0.859 | 81% | 0.805 | S | S | * | * | trans | -75 | 122.3 | 162 | -58 | 0 | 0 | 0 | 0 | 108.7 | T152 | T152-T154 PolarHBondContact O-N 3.05Š| ||
| 155 | S | 45.8 | Very low | 39.6 | Very low | 112 Ų | 112 | 144.4 Ų | 144.4 | 78% | 0.783 | 80% | 0.804 | S | S | * | * | trans | -121.9 | 147.4 | 172.1 | 77.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 156 | N | 39.3 | Very low | 39.1 | Very low | 152 Ų | 152 | 140.1 Ų | 140.1 | 81% | 0.813 | 80% | 0.798 | S | S | * | * | trans | -74.8 | 144.7 | -161.9 | -72.6 | -34.3 | 0 | 0 | 0 | 115.4 | ||||
| 157 | A | 35.8 | Very low | 38.9 | Very low | 97 Ų | 97 | 140.9 Ų | 140.9 | 80% | 0.802 | 80% | 0.801 | S | S | * | * | trans | 9.3 | 122.1 | 139.4 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 158 | V | 43.2 | Very low | 38.7 | Very low | 153 Ų | 153 | 139.4 Ų | 139.4 | 93% | 0.927 | 80% | 0.8 | S | S | * | * | trans | -122.4 | 144.7 | 144 | 175.8 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 159 | R | 34.1 | Very low | 37.9 | Very low | 231 Ų | 231 | 135.1 Ų | 135.1 | 87% | 0.872 | 79% | 0.794 | S | S | * | * | trans | -103.7 | 153.2 | -163.3 | -173 | -174.7 | -174.5 | -173.4 | 3.3 | 112.1 | ||||
| 160 | A | 35.7 | Very low | 37.5 | Very low | 74 Ų | 74 | 141.3 Ų | 141.3 | 61% | 0.612 | 81% | 0.812 | S | S | * | * | trans | 76.5 | 152.9 | 167.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 161 | H | 42.5 | Very low | 37.1 | Very low | 180 Ų | 180 | 140 Ų | 140 | 83% | 0.833 | 81% | 0.808 | S | S | * | * | cis | -134.8 | 156.1 | 18.5 | -56.3 | -100.9 | 0 | 0 | 0 | 112.8 | ||||
| 162 | T | 30.4 | Very low | 36.9 | Very low | 132 Ų | 132 | 140.3 Ų | 140.3 | 81% | 0.81 | 81% | 0.81 | S | S | * | * | trans | -78.4 | 135.1 | 177.8 | 47.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 163 | T | 38.6 | Very low | 36.8 | Very low | 139 Ų | 139 | 141.5 Ų | 141.5 | 85% | 0.853 | 81% | 0.806 | S | S | * | * | trans | -149.1 | 119.9 | 148.5 | -7.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 164 | T | 31.2 | Very low | 36.7 | Very low | 141 Ų | 141 | 145.8 Ų | 145.8 | 87% | 0.865 | 81% | 0.81 | S | S | * | * | trans | -90.4 | 123.3 | -178.2 | -52.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 165 | T | 38.3 | Very low | 36.6 | Very low | 130 Ų | 130 | 147.1 Ų | 147.1 | 80% | 0.798 | 81% | 0.806 | S | S | * | * | trans | -138.1 | 136.2 | 165.7 | -42 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 166 | S | 36.6 | Very low | 36.1 | Very low | 108 Ų | 108 | 150.2 Ų | 150.2 | 76% | 0.755 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 146.5 | -168.6 | 42.1 | 0 | 0 | 0 | 0 | 115.4 | ||
| 167 | L | 39.6 | Very low | 36 | Very low | 170 Ų | 170 | 152.4 Ų | 152.4 | 89% | 0.89 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 131.9 | 159 | -66.6 | 169.4 | 0 | 0 | 0 | 109.4 | ||
| 168 | P | 38 | Very low | 35.9 | Very low | 113 Ų | 113 | 153.2 Ų | 153.2 | 73% | 0.734 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -87.6 | 137.9 | 166.3 | 32.6 | -29.6 | 0 | 0 | 0 | 111.3 | ||
| 169 | S | 29.3 | Very low | 35.8 | Very low | 101 Ų | 101 | 154.7 Ų | 154.7 | 71% | 0.706 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 152 | 161.7 | -168.7 | 0 | 0 | 0 | 0 | 110.2 | ||
| 170 | F | 36.7 | Very low | 35.8 | Very low | 200 Ų | 200 | 152.9 Ų | 152.9 | 88% | 0.877 | 80% | 0.804 | S | S | * | * | trans | -136.4 | 111.3 | 161 | 57.9 | -90.4 | 0 | 0 | 0 | 110.2 | ||||
| 171 | E | 36.9 | Very low | 36 | Very low | 167 Ų | 167 | 154.3 Ų | 154.3 | 78% | 0.78 | 82% | 0.816 | S | S | * | * | trans | -101.9 | 150.8 | 169.3 | -81.1 | 167.3 | 105.1 | 0 | 0 | 110 | ||||
| 172 | E | 34.9 | Very low | 35.5 | Very low | 172 Ų | 172 | 150.3 Ų | 150.3 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | trans | 72.9 | 152.1 | 147.8 | -147.1 | 116.4 | 132.3 | 0 | 0 | 122.2 | ||||
| 173 | E | 34 | Very low | 36 | Very low | 162 Ų | 162 | 151 Ų | 151 | 76% | 0.757 | 82% | 0.817 | S | S | * | * | trans | 76.6 | 98.6 | 154.3 | -100.9 | -176.5 | 99.3 | 0 | 0 | 121.1 | ||||
| 174 | Q | 37.1 | Very low | 36 | Very low | 188 Ų | 188 | 150.1 Ų | 150.1 | 88% | 0.879 | 81% | 0.814 | S | S | * | * | -159.9 | 141.6 | 93.7 | -106 | 166.8 | 53.9 | 0 | 0 | 113.2 | |||||
| 175 | Q | 31.4 | Very low | 36 | Very low | 168 Ų | 168 | 148.9 Ų | 148.9 | 79% | 0.785 | 81% | 0.811 | S | S | * | * | trans | -109.4 | 176.5 | 178.9 | -64.1 | -178.6 | 4.1 | 0 | 0 | 111.7 | ||||
| 176 | Q | 34.7 | Very low | 36 | Very low | 177 Ų | 177 | 148.3 Ų | 148.3 | 83% | 0.827 | 81% | 0.812 | S | S | * | * | trans | 83.2 | 109.9 | 160.1 | -53.5 | 177 | 23.6 | 0 | 0 | 118 | ||||
| 177 | Q | 37.1 | Very low | 35.7 | Very low | 198 Ų | 198 | 150.5 Ų | 150.5 | 93% | 0.925 | 82% | 0.816 | S | S | * | * | -150.4 | 154.5 | 104.8 | -163.5 | 162.3 | -6.6 | 0 | 0 | 110.6 | |||||
| 178 | V | 34.4 | Very low | 35.5 | Very low | 114 Ų | 114 | 154.1 Ų | 154.1 | 69% | 0.691 | 82% | 0.818 | S | S | * | * | trans | -120.8 | 136.7 | -166.5 | 168.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 179 | E | 39.5 | Very low | 35.1 | Very low | 184 Ų | 184 | 153.3 Ų | 153.3 | 86% | 0.86 | 82% | 0.82 | S | S | * | * | trans | 179.6 | 123.7 | 140.7 | -100.7 | 179.8 | 119.1 | 0 | 0 | 107.9 | ||||
| 180 | K | 35 | Very low | 35.4 | Very low | 192 Ų | 192 | 154.6 Ų | 154.6 | 84% | 0.835 | 83% | 0.829 | S | S | * | * | cis | 88.8 | 87.1 | 38.5 | -162.2 | -171.3 | -173.3 | -175 | 0 | 114.2 | ||||
| 181 | A | 39.3 | Very low | 35 | Very low | 105 Ų | 105 | 148.9 Ų | 148.9 | 87% | 0.868 | 83% | 0.827 | S | S | * | * | trans | -149.9 | 127.8 | 153.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 182 | A | 31.9 | Very low | 34.6 | Very low | 96 Ų | 96 | 145.1 Ų | 145.1 | 79% | 0.793 | 83% | 0.832 | S | S | * | * | trans | -147 | 122.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 183 | V | 41.4 | Very low | 34.4 | Very low | 146 Ų | 146 | 140.6 Ų | 140.6 | 89% | 0.885 | 83% | 0.832 | S | S | * | * | trans | -162.9 | 159.9 | 169.4 | -109.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 184 | P | 38 | Very low | 34.4 | Very low | 120 Ų | 120 | 140 Ų | 140 | 78% | 0.779 | 83% | 0.834 | S | S | * | * | -129.2 | -172.4 | -111.8 | 42.5 | -27 | 0 | 0 | 0 | 115.8 | |||||
| 185 | S | 31.2 | Very low | 34.4 | Very low | 116 Ų | 116 | 134.5 Ų | 134.5 | 81% | 0.811 | 83% | 0.828 | S | S | * | * | trans | -46.1 | 145.9 | 176.7 | -48.4 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 186 | S | 38.6 | Very low | 34.9 | Very low | 117 Ų | 117 | 131.1 Ų | 131.1 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | trans | -147.2 | 130.2 | 143.3 | -166 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 187 | N | 31.3 | Very low | 35.4 | Very low | 154 Ų | 154 | 126.8 Ų | 126.8 | 82% | 0.824 | 80% | 0.801 | S | S | * | * | trans | -77.8 | 133.2 | 178.8 | -71.5 | -39.4 | 0 | 0 | 0 | 111.1 | ||||
| 188 | R | 34.1 | Very low | 35.9 | Very low | 247 Ų | 247 | 126.4 Ų | 126.4 | 93% | 0.932 | 80% | 0.797 | S | S | * | * | trans | -137.9 | 105.8 | 145.2 | -74.8 | -163.1 | 172.3 | 171.2 | -1.5 | 111.2 | ||||
| 189 | A | 30.8 | Very low | 36.8 | Very low | 96 Ų | 96 | 125.4 Ų | 125.4 | 79% | 0.793 | 79% | 0.787 | S | S | * | * | trans | -74.2 | 134.5 | 166.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 190 | S | 34.8 | Very low | 38.1 | Very low | 128 Ų | 128 | 122.1 Ų | 122.1 | 90% | 0.895 | 77% | 0.771 | S | S | * | * | trans | -172.4 | 142.8 | 161 | -85.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 191 | G | 29.4 | Very low | 40.2 | Very low | 80 Ų | 80 | 114.3 Ų | 114.3 | 83% | 0.825 | 74% | 0.739 | S | S | * | * | trans | 86 | 99.5 | 154.7 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 192 | G | 27.6 | Very low | 42.3 | Very low | 87 Ų | 87 | 110.3 Ų | 110.3 | 90% | 0.897 | 71% | 0.707 | S | S | * | * | trans | -68.5 | 172.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 193 | G | 31.2 | Very low | 45.1 | Very low | 77 Ų | 77 | 108 Ų | 108 | 79% | 0.794 | 68% | 0.679 | S | S | * | * | trans | 175 | 58.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | G195 | G193-G195 PolarHBondContact O-N 3.32Š| ||
| 194 | N | 33.4 | Very low | 47.5 | Very low | 150 Ų | 150 | 104.9 Ų | 104.9 | 80% | 0.802 | 66% | 0.657 | S | S | * | * | trans | 26.7 | 57.1 | 154.4 | -82.8 | -19.4 | 0 | 0 | 0 | 119.8 | ||||
| 195 | G | 37.1 | Very low | 50.2 | Low | 73 Ų | 73 | 101.4 Ų | 101.4 | 75% | 0.753 | 63% | 0.628 | S | S | * | * | trans | -80.2 | -15.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 116 | G193 | G193-G195 PolarHBondContact O-N 3.32Š| ||
| 196 | N | 42 | Very low | 53.3 | Low | 96 Ų | 96 | 103.2 Ų | 103.2 | 51% | 0.513 | 62% | 0.617 | S | S | . | * | S | Bend | trans | -102.2 | 16.1 | -163 | -169.9 | 68.7 | 0 | 0 | 0 | 115.1 | R238 | N196-R238 PolarHBondContact ND2-NH2 3.1Å; N196-R238 PolarHBondContact OD1-NH1 3.36Å; N196-R238 PolarHBondContact OD1-NH2 3.09Å |
| 197 | T | 45.7 | Very low | 56 | Low | 87 Ų | 87 | 102.4 Ų | 102.4 | 53% | 0.534 | 60% | 0.599 | S | S | . | * | trans | -94.9 | 2.9 | -177.8 | 48.8 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 198 | K | 46.2 | Very low | 59.2 | Low | 190 Ų | 190 | 100.7 Ų | 100.7 | 83% | 0.826 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.3 | 15.9 | -163 | -146.7 | -177.2 | 176.5 | -174.3 | 0 | 116.6 | ||
| 199 | L | 54.3 | Low | 62.1 | Low | 92 Ų | 92 | 90.1 Ų | 90.1 | 48% | 0.482 | 55% | 0.55 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -128.6 | 41.8 | 168.2 | -68.7 | 175.9 | 0 | 0 | 0 | 110.1 | D201 I245 | L199-D201 PolarHBondContact O-N 3.38Å; L199-I245 HydrophobicContact CD1-CD1 4.31Å |
| 200 | E | 66.1 | Low | 65.3 | Low | 115 Ų | 115 | 90.8 Ų | 90.8 | 54% | 0.537 | 54% | 0.536 | S | S | . | . | trans | -70.1 | 94.8 | 175.6 | -167.8 | 163.1 | -143.7 | 0 | 0 | 108.7 | G202 | E200-G202 PolarHBondContact O-N 2.65Š| ||
| 201 | D | 79.3 | Confident | 68.2 | Low | 29 Ų | 29 | 90.9 Ų | 90.9 | 16% | 0.155 | 52% | 0.521 | C | S | . | . | trans | -62.1 | 5.6 | 176.2 | 57.8 | 35 | 0 | 0 | 0 | 113.7 | L199 Y203 W205 K234 Y250 K258 | L199-D201 PolarHBondContact O-N 3.38Å; D201-Y203 PolarHBondContact O-N 2.68Å; D201-Y203 WeakPolarHBondContact OD1-CB 3.5Å; D201-Y203 PolarHBondContact OD1-N 3.03Å; D201-W205 PolarHBondContact OD1-NE1 3.4Å; D201-W205 WeakPolarHBondContact OD2-CZ2 3.32Å; D201-W205 PolarHBondContact OD2-NE1 3.33Å; D201-K234 IonicContact OD2-NZ 2.68Å; D201-K234 PolarHBondContact OD2-NZ 2.76Å; D201-Y250 PolarHBondContact OD2-OH 2.76Å; D201-K258 WeakPolarHBondContact O-CE 3.46Å; D201-K258 PolarHBondContact O-NZ 2.82Å | ||
| 202 | G | 84.6 | Confident | 71.2 | Confident | 20 Ų | 20 | 92.5 Ų | 92.5 | 21% | 0.206 | 51% | 0.507 | C | S | . | . | S | Bend | trans | 75.4 | 2.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | E200 K258 P259 | E200-G202 PolarHBondContact O-N 2.65Å; G202-K258 WeakPolarHBondContact O-CG 3.36Å; G202-P259 WeakPolarHBondContact O-CD 3.38Å |
| 203 | Y | 90.9 | Very high | 74.1 | Confident | 49 Ų | 49 | 89.7 Ų | 89.7 | 19% | 0.192 | 47% | 0.472 | C | S | . | . | S | Bend | trans | -95.1 | 146.9 | 164.6 | -63.4 | -73.5 | 0 | 0 | 0 | 110.1 | D201 W205 H254 H256 K258 | D201-Y203 PolarHBondContact O-N 2.68Å; D201-Y203 WeakPolarHBondContact OD1-CB 3.5Å; D201-Y203 PolarHBondContact OD1-N 3.03Å; Y203-W205 PolarHBondContact O-NE1 2.75Å; Y203-W205 VanDerWaalsContact O-NE1 3.12Å; Y203-H254 AromaticContact CD1-CE1 3.38Å; Y203-H254 WeakPolarHBondContact CD1-CE1 3.39Å; Y203-H254 AromaticContact CD1-CG 3.97Å; Y203-H254 AromaticContact CD1-ND1 3.56Å; Y203-H254 AromaticContact CD1-NE2 3.7Å; Y203-H254 AromaticContact CD2-CD2 3.9Å; Y203-H254 AromaticContact CD2-CE1 3.77Å; Y203-H254 AromaticContact CD2-NE2 3.3Å; Y203-H254 VanDerWaalsContact CD2-NE2 3.3Å; Y203-H254 WeakPolarHBondContact CD2-NE2 3.41Å; Y203-H254 HydrophobicContact CE1-CB 4.1Å; Y203-H254 AromaticContact CE1-CD2 3.65Å; Y203-H254 AromaticContact CE1-CE1 3.75Å; Y203-H254 AromaticContact CE1-CG 3.53Å; Y203-H254 AromaticContact CE1-ND1 3.61Å; Y203-H254 AromaticContact CE1-NE2 3.8Å; Y203-H254 AromaticContact CE2-CD2 3.47Å; Y203-H254 VanDerWaalsContact CE2-CD2 3.47Å; Y203-H254 WeakPolarHBondContact CE2-CD2 3.35Å; Y203-H254 AromaticContact CE2-NE2 3.39Å; Y203-H254 WeakPolarHBondContact CE2-NE2 3.38Å; Y203-H254 AromaticContact CG-CE1 3.37Å; Y203-H254 AromaticContact CG-NE2 3.43Å; Y203-H254 AromaticContact CZ-CD2 3.33Å; Y203-H254 AromaticContact CZ-CG 3.66Å; Y203-H254 AromaticContact CZ-NE2 3.64Å; Y203-H256 AromaticContact CD1-CE1 3.78Å; Y203-K258 HydrophobicContact CD1-CB 4.36Å; Y203-K258 HydrophobicContact CD1-CG 4.19Å; Y203-K258 HydrophobicContact CE1-CB 3.78Å; Y203-K258 HydrophobicContact CE1-CG 4.04Å; Y203-K258 VanDerWaalsContact CZ-CE 3.44Å |
| 204 | N | 91.7 | Very high | 76.7 | Confident | 79 Ų | 79 | 96.1 Ų | 96.1 | 42% | 0.422 | 48% | 0.478 | S | S | . | . | trans | -82.3 | 130.7 | 174.5 | -69 | -21.7 | 0 | 0 | 0 | 109 | C225 T226 | N204-C225 WeakPolarHBondContact O-CA 3.43Å; N204-T226 HydrophobicContact CB-CG2 4.01Å; N204-T226 WeakPolarHBondContact CB-OG1 3.26Å; N204-T226 PolarHBondContact O-N 3.33Å | ||
| 205 | W | 94.3 | Very high | 79.1 | Confident | 47 Ų | 47 | 92.6 Ų | 92.6 | 18% | 0.178 | 48% | 0.477 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 140.4 | -177.9 | -58.5 | 89.8 | 0 | 0 | 0 | 112.2 | D201 Y203 Y223 K224 M232 K234 Y250 | D201-W205 PolarHBondContact OD1-NE1 3.4Å; D201-W205 WeakPolarHBondContact OD2-CZ2 3.32Å; D201-W205 PolarHBondContact OD2-NE1 3.33Å; Y203-W205 PolarHBondContact O-NE1 2.75Å; Y203-W205 VanDerWaalsContact O-NE1 3.12Å; W205-Y223 HydrophobicContact CB-CD1 4.23Å; W205-K224 WeakPolarHBondContact CA-O 3.4Å; W205-M232 HydrophobicContact CH2-CG 3.48Å; W205-M232 VanDerWaalsContact CH2-CG 3.48Å; W205-M232 HydrophobicContact CZ3-CG 3.88Å; W205-K234 VanDerWaalsContact CD1-NZ 3.34Å; W205-K234 HydrophobicContact CD2-CD 3.84Å; W205-K234 HydrophobicContact CD2-CG 4.17Å; W205-K234 VanDerWaalsContact CE2-CE 3.47Å; W205-K234 HydrophobicContact CE3-CD 3.91Å; W205-K234 HydrophobicContact CE3-CG 3.73Å; W205-K234 HydrophobicContact CH2-CB 4.18Å; W205-K234 HydrophobicContact CH2-CD 3.86Å; W205-K234 HydrophobicContact CH2-CG 4.05Å; W205-K234 HydrophobicContact CZ2-CD 3.8Å; W205-K234 HydrophobicContact CZ2-CG 4.47Å; W205-K234 HydrophobicContact CZ3-CB 3.98Å; W205-K234 HydrophobicContact CZ3-CD 3.92Å; W205-K234 HydrophobicContact CZ3-CG 3.67Å; W205-Y250 AromaticContact CH2-CD1 3.89Å; W205-Y250 HydrophobicContact CH2-CD1 3.89Å; W205-Y250 AromaticContact CH2-CE1 3.83Å; W205-Y250 HydrophobicContact CH2-CE1 3.83Å; W205-Y250 HydrophobicContact CZ2-CD1 4.28Å; W205-Y250 AromaticContact CZ2-CE1 3.77Å; W205-Y250 HydrophobicContact CZ2-CE1 3.77Å |
| 206 | R | 95.5 | Very high | 81.2 | Confident | 154 Ų | 154 | 90.3 Ų | 90.3 | 58% | 0.581 | 45% | 0.449 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 127 | 167 | -84.7 | 163 | -172.5 | 140.1 | 4.4 | 109.3 | Y208 Y223 K224 T226 | R206-Y208 PolarHBondContact O-N 2.8Å; R206-Y223 CarbonylContact O-C 3.58Å; R206-Y223 VanDerWaalsContact O-CA 3.28Å; R206-Y223 WeakPolarHBondContact O-CA 3.47Å; R206-K224 PolarHBondContact N-O 3.01Å; R206-K224 PolarHBondContact O-N 2.9Å; R206-T226 HydrophobicContact CB-CG2 4.08Å; R206-T226 HydrophobicContact CG-CG2 3.53Å |
| 207 | K | 96.8 | Very high | 83.3 | Confident | 101 Ų | 101 | 92.3 Ų | 92.3 | 44% | 0.439 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 129.4 | 168.3 | -172.4 | -173.9 | -79.9 | -166.3 | 0 | 107.3 | S221 Y222 Y223 | K207-S221 WeakPolarHBondContact CE-OG 3.45Å; K207-S221 PolarHBondContact NZ-OG 2.84Å; K207-S221 VanDerWaalsContact NZ-OG 3.15Å; K207-Y222 CarbonylContact C-O 3.49Å; K207-Y222 WeakPolarHBondContact CA-O 3.24Å; K207-Y222 WeakPolarHBondContact CG-O 3.37Å; K207-Y223 HydrophobicContact CB-CD1 3.86Å; K207-Y223 HydrophobicContact CB-CE1 3.75Å; K207-Y223 HydrophobicContact CG-CE1 4.27Å |
| 208 | Y | 96.7 | Very high | 85.1 | Confident | 117 Ų | 117 | 90 Ų | 90 | 46% | 0.459 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | -9.6 | 176.8 | 72.8 | -98.2 | 0 | 0 | 0 | 113.1 | R206 Y222 Y223 K224 K233 | R206-Y208 PolarHBondContact O-N 2.8Å; Y208-Y222 PolarHBondContact N-O 2.86Å; Y208-Y223 VanDerWaalsContact CD1-C 3.46Å; Y208-Y223 VanDerWaalsContact CE1-C 3.48Å; Y208-Y223 WeakPolarHBondContact CE1-O 3.38Å; Y208-K224 HydrophobicContact CD1-CB 3.91Å; Y208-K224 HydrophobicContact CD1-CD 4.49Å; Y208-K224 HydrophobicContact CD1-CG 4.08Å; Y208-K224 HydrophobicContact CE1-CB 4.31Å; Y208-K233 HydrophobicContact CE1-CG 4.5Å |
| 209 | G | 96.2 | Very high | 87.3 | Confident | 25 Ų | 25 | 82.3 Ų | 82.3 | 26% | 0.258 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -168.8 | 165.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y222 | G209-Y222 PolarHBondContact N-O 2.86Å; G209-Y222 PolarHBondContact O-N 3.48Å |
| 210 | Q | 96.8 | Very high | 89.2 | Confident | 110 Ų | 110 | 80.6 Ų | 80.6 | 51% | 0.514 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 136.1 | 177.4 | -176.2 | 166 | -65.6 | 0 | 0 | 107.8 | P219 R220 | Q210-P219 HydrophobicContact CG-CB 3.61Å; Q210-P219 HydrophobicContact CG-CG 4.11Å; Q210-P219 VanDerWaalsContact NE2-CG 3.35Å; Q210-R220 CarbonylContact C-O 3.53Å; Q210-R220 VanDerWaalsContact CA-O 3.32Å; Q210-R220 WeakPolarHBondContact CA-O 3.39Å |
| 211 | K | 95.8 | Very high | 90.5 | Very high | 131 Ų | 131 | 75.3 Ų | 75.3 | 57% | 0.57 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 128.3 | 178.9 | -170.8 | 172.4 | -178.7 | 171.8 | 0 | 109.1 | V213 R220 Y222 | K211-V213 PolarHBondContact O-N 2.87Å; K211-R220 PolarHBondContact N-O 2.8Å; K211-R220 WeakPolarHBondContact O-CB 3.3Å; K211-R220 PolarHBondContact O-N 3.08Å; K211-Y222 HydrophobicContact CB-CE2 3.81Å |
| 212 | Q | 94 | Very high | 91.4 | Very high | 114 Ų | 114 | 76.5 Ų | 76.5 | 53% | 0.533 | 38% | 0.375 | S | S | . | . | P | Polyproline II helix | trans | -62.7 | 132.7 | 169.2 | -161.9 | 64.2 | 15.7 | 0 | 0 | 108.8 | S216 E217 | Q212-S216 PolarHBondContact NE2-O 2.92Å; Q212-S216 VanDerWaalsContact NE2-O 3.14Å; Q212-E217 PolarHBondContact NE2-O 2.99Å |
| 213 | V | 88.1 | Confident | 92 | Very high | 28 Ų | 28 | 77.3 Ų | 77.3 | 17% | 0.17 | 37% | 0.372 | C | S | . | . | P | Polyproline II helix | trans | -96 | 124.4 | 176.9 | 173.6 | 0 | 0 | 0 | 0 | 107.6 | K211 G215 S216 R220 | K211-V213 PolarHBondContact O-N 2.87Å; V213-G215 PolarHBondContact O-N 2.74Å; V213-S216 WeakPolarHBondContact CB-OG 3.34Å; V213-S216 PolarHBondContact O-N 3.35Å; V213-S216 VanDerWaalsContact O-N 3.09Å; V213-S216 VanDerWaalsContact O-O 3.13Å; V213-R220 HydrophobicContact CG2-CB 3.42Å; V213-R220 VanDerWaalsContact CG2-CB 3.42Å; V213-R220 HydrophobicContact CG2-CG 4.38Å |
| 214 | K | 86.4 | Confident | 92.2 | Very high | 212 Ų | 212 | 80.1 Ų | 80.1 | 92% | 0.922 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | 120.3 | 176.3 | -174.7 | 72.1 | 174.7 | -178.1 | 0 | 108 | ||
| 215 | G | 82.1 | Confident | 92.4 | Very high | 75 Ų | 75 | 76.7 Ų | 76.7 | 77% | 0.773 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94 | 0.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 116 | V213 | V213-G215 PolarHBondContact O-N 2.74Š|
| 216 | S | 81.3 | Confident | 92.4 | Very high | 25 Ų | 25 | 76.4 Ų | 76.4 | 18% | 0.175 | 37% | 0.371 | C | S | . | . | trans | -132.8 | 136.8 | 167.9 | 70.6 | 0 | 0 | 0 | 0 | 112.9 | Q212 V213 N218 | Q212-S216 PolarHBondContact NE2-O 2.92Å; Q212-S216 VanDerWaalsContact NE2-O 3.14Å; V213-S216 WeakPolarHBondContact CB-OG 3.34Å; V213-S216 PolarHBondContact O-N 3.35Å; V213-S216 VanDerWaalsContact O-N 3.09Å; V213-S216 VanDerWaalsContact O-O 3.13Å; S216-N218 VanDerWaalsContact C-N 3.25Å; S216-N218 PolarHBondContact O-N 3.31Å; S216-N218 PolarHBondContact OG-O 3.35Å | ||
| 217 | E | 85.9 | Confident | 92.3 | Very high | 139 Ų | 139 | 73.6 Ų | 73.6 | 65% | 0.65 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -56.4 | -42.3 | 172 | -174.7 | 54.1 | -137.6 | 0 | 0 | 111.2 | Q212 L240 | Q212-E217 PolarHBondContact NE2-O 2.99Å; E217-L240 HydrophobicContact CB-CD1 3.53Å; E217-L240 VanDerWaalsContact N-CD1 3.3Å |
| 218 | N | 85.2 | Confident | 92.2 | Very high | 38 Ų | 38 | 74.9 Ų | 74.9 | 20% | 0.203 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -78.2 | 128.4 | -174.5 | -80.6 | -75.1 | 0 | 0 | 0 | 112.9 | S216 R238 A239 L240 | S216-N218 VanDerWaalsContact C-N 3.25Å; S216-N218 PolarHBondContact O-N 3.31Å; S216-N218 PolarHBondContact OG-O 3.35Å; N218-R238 HydrophobicContact CB-CB 3.73Å; N218-A239 PolarHBondContact ND2-O 3.06Å; N218-L240 PolarHBondContact ND2-O 2.74Å |
| 219 | P | 91.6 | Very high | 91.9 | Very high | 28 Ų | 28 | 74.1 Ų | 74.1 | 18% | 0.182 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -80.2 | 137.9 | -178.8 | 30.5 | -34.9 | 0 | 0 | 0 | 112.8 | Q210 S221 | Q210-P219 HydrophobicContact CG-CB 3.61Å; Q210-P219 HydrophobicContact CG-CG 4.11Å; Q210-P219 VanDerWaalsContact NE2-CG 3.35Å; P219-S221 PolarHBondContact O-N 2.89Å |
| 220 | R | 93.2 | Very high | 91.8 | Very high | 56 Ų | 56 | 73.9 Ų | 73.9 | 21% | 0.211 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 122.2 | 175.9 | 169.1 | -173.9 | -70.1 | 168.3 | 0.1 | 110.3 | Q210 K211 V213 Y222 K235 V236 E237 | Q210-R220 CarbonylContact C-O 3.53Å; Q210-R220 VanDerWaalsContact CA-O 3.32Å; Q210-R220 WeakPolarHBondContact CA-O 3.39Å; K211-R220 PolarHBondContact N-O 2.8Å; K211-R220 WeakPolarHBondContact O-CB 3.3Å; K211-R220 PolarHBondContact O-N 3.08Å; V213-R220 HydrophobicContact CG2-CB 3.42Å; V213-R220 VanDerWaalsContact CG2-CB 3.42Å; V213-R220 HydrophobicContact CG2-CG 4.38Å; R220-Y222 VanDerWaalsContact CD-OH 3.29Å; R220-Y222 WeakPolarHBondContact CD-OH 3.45Å; R220-Y222 HydrophobicContact CG-CD2 4.48Å; R220-Y222 HydrophobicContact CG-CE2 3.78Å; R220-K235 VanDerWaalsContact CD-CE 3.4Å; R220-K235 HydrophobicContact CG-CG 4.02Å; R220-K235 VanDerWaalsContact NE-CE 3.33Å; R220-V236 WeakPolarHBondContact CA-O 3.3Å; R220-E237 HydrophobicContact CG-CG 4.15Å; R220-E237 IonicContact CZ-OE1 3.24Å; R220-E237 VanDerWaalsContact CZ-OE1 3.24Å; R220-E237 IonicContact CZ-OE2 3.3Å; R220-E237 VanDerWaalsContact CZ-OE2 3.3Å; R220-E237 IonicContact NE-OE1 2.97Å; R220-E237 PolarHBondContact NE-OE1 3.42Å; R220-E237 IonicContact NE-OE2 3.12Å; R220-E237 PolarHBondContact NE-OE2 2.9Å; R220-E237 VanDerWaalsContact NE-OE2 3.12Å; R220-E237 IonicContact NH2-OE1 3.05Å; R220-E237 PolarHBondContact NH2-OE1 3.17Å; R220-E237 IonicContact NH2-OE2 2.68Å; R220-E237 PolarHBondContact NH2-OE2 3.21Å |
| 221 | S | 95.1 | Very high | 91.6 | Very high | 4 Ų | 4 | 72.1 Ų | 72.1 | 3% | 0.028 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 139.1 | -176.3 | -70.3 | 0 | 0 | 0 | 0 | 111.9 | K207 P219 Y223 V236 | K207-S221 WeakPolarHBondContact CE-OG 3.45Å; K207-S221 PolarHBondContact NZ-OG 2.84Å; K207-S221 VanDerWaalsContact NZ-OG 3.15Å; P219-S221 PolarHBondContact O-N 2.89Å; S221-Y223 VanDerWaalsContact CB-CE2 3.44Å; S221-V236 PolarHBondContact N-O 3.27Å; S221-V236 PolarHBondContact O-N 3.44Å |
| 222 | Y | 97.1 | Very high | 91.6 | Very high | 54 Ų | 54 | 66.8 Ų | 66.8 | 21% | 0.212 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 132.4 | -178.9 | -63.7 | -101.9 | 0 | 0 | 0 | 111 | K207 Y208 G209 K211 R220 K235 | K207-Y222 CarbonylContact C-O 3.49Å; K207-Y222 WeakPolarHBondContact CA-O 3.24Å; K207-Y222 WeakPolarHBondContact CG-O 3.37Å; Y208-Y222 PolarHBondContact N-O 2.86Å; G209-Y222 PolarHBondContact N-O 2.86Å; G209-Y222 PolarHBondContact O-N 3.48Å; K211-Y222 HydrophobicContact CB-CE2 3.81Å; R220-Y222 VanDerWaalsContact CD-OH 3.29Å; R220-Y222 WeakPolarHBondContact CD-OH 3.45Å; R220-Y222 HydrophobicContact CG-CD2 4.48Å; R220-Y222 HydrophobicContact CG-CE2 3.78Å; Y222-K235 HydrophobicContact CD1-CB 4.41Å; Y222-K235 HydrophobicContact CD1-CG 4.35Å; Y222-K235 HydrophobicContact CE1-CG 4.04Å |
| 223 | Y | 97 | Very high | 91.7 | Very high | 38 Ų | 38 | 66.5 Ų | 66.5 | 15% | 0.149 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 146 | -174 | -58 | -99.4 | 0 | 0 | 0 | 111.4 | W205 R206 K207 Y208 S221 K233 K234 V236 | W205-Y223 HydrophobicContact CB-CD1 4.23Å; R206-Y223 CarbonylContact O-C 3.58Å; R206-Y223 VanDerWaalsContact O-CA 3.28Å; R206-Y223 WeakPolarHBondContact O-CA 3.47Å; K207-Y223 HydrophobicContact CB-CD1 3.86Å; K207-Y223 HydrophobicContact CB-CE1 3.75Å; K207-Y223 HydrophobicContact CG-CE1 4.27Å; Y208-Y223 VanDerWaalsContact CD1-C 3.46Å; Y208-Y223 VanDerWaalsContact CE1-C 3.48Å; Y208-Y223 WeakPolarHBondContact CE1-O 3.38Å; S221-Y223 VanDerWaalsContact CB-CE2 3.44Å; Y223-K233 CarbonylContact O-C 3.49Å; Y223-K233 VanDerWaalsContact O-CA 3.24Å; Y223-K233 WeakPolarHBondContact O-CA 3.34Å; Y223-K234 HydrophobicContact CD2-CG 4.27Å; Y223-K234 HydrophobicContact CG-CG 4.37Å; Y223-K234 PolarHBondContact N-O 2.9Å; Y223-K234 PolarHBondContact O-N 2.82Å; Y223-V236 HydrophobicContact CD2-CG2 3.82Å; Y223-V236 HydrophobicContact CE2-CB 3.98Å; Y223-V236 HydrophobicContact CE2-CG2 3.58Å |
| 224 | K | 96.3 | Very high | 92 | Very high | 107 Ų | 107 | 66.1 Ų | 66.1 | 47% | 0.465 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 150.2 | 170.4 | 62.1 | -179.3 | -179.4 | -179.2 | 0 | 109.4 | W205 R206 Y208 K233 | W205-K224 WeakPolarHBondContact CA-O 3.4Å; R206-K224 PolarHBondContact N-O 3.01Å; R206-K224 PolarHBondContact O-N 2.9Å; Y208-K224 HydrophobicContact CD1-CB 3.91Å; Y208-K224 HydrophobicContact CD1-CD 4.49Å; Y208-K224 HydrophobicContact CD1-CG 4.08Å; Y208-K224 HydrophobicContact CE1-CB 4.31Å; K224-K233 HydrophobicContact CB-CG 4.36Å |
| 225 | C | 95 | Very high | 92.3 | Very high | 8 Ų | 8 | 58.6 Ų | 58.6 | 5% | 0.054 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.6 | 147.5 | 170 | -169.7 | 0 | 0 | 0 | 0 | 110 | N204 C230 M232 H256 | N204-C225 WeakPolarHBondContact O-CA 3.43Å; C225-C230 HydrophobicContact CB-CB 4.04Å; C225-M232 HydrophobicContact CB-CB 4.26Å; C225-M232 PolarHBondContact N-O 2.93Å; C225-H256 PolarHBondContact SG-NE2 3.18Å |
| 226 | T | 95.2 | Very high | 92.7 | Very high | 40 Ų | 40 | 55.4 Ų | 55.4 | 25% | 0.245 | 28% | 0.277 | C | S | . | . | trans | -86.1 | -13.5 | -179.8 | 65 | 0 | 0 | 0 | 0 | 114.6 | N204 R206 | N204-T226 HydrophobicContact CB-CG2 4.01Å; N204-T226 WeakPolarHBondContact CB-OG1 3.26Å; N204-T226 PolarHBondContact O-N 3.33Å; R206-T226 HydrophobicContact CB-CG2 4.08Å; R206-T226 HydrophobicContact CG-CG2 3.53Å | ||
| 227 | Y | 93.1 | Very high | 93.1 | Very high | 95 Ų | 95 | 55.4 Ų | 55.4 | 37% | 0.373 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -66.3 | 142.4 | -179 | -168.7 | -94.6 | 0 | 0 | 0 | 110 | C230 H256 | Y227-C230 HydrophobicContact CD1-CB 4.4Å; Y227-C230 WeakPolarHBondContact O-CB 3.09Å; Y227-C230 PolarHBondContact O-N 3.5Å; Y227-H256 VanDerWaalsContact CB-CD2 3.46Å; Y227-H256 WeakPolarHBondContact CB-CD2 3.46Å; Y227-H256 WeakPolarHBondContact CB-NE2 3.27Å; Y227-H256 HydrophobicContact CD1-CB 3.54Å; Y227-H256 AromaticContact CD1-CD2 3.37Å; Y227-H256 WeakPolarHBondContact CD1-CD2 3.35Å; Y227-H256 AromaticContact CD1-CG 3.48Å; Y227-H256 VanDerWaalsContact CD1-CG 3.48Å; Y227-H256 HydrophobicContact CD2-CB 4.04Å; Y227-H256 AromaticContact CD2-CG 3.81Å; Y227-H256 AromaticContact CD2-ND1 3.93Å; Y227-H256 HydrophobicContact CE1-CB 3.41Å; Y227-H256 VanDerWaalsContact CE1-CB 3.41Å; Y227-H256 AromaticContact CE1-CG 3.92Å; Y227-H256 HydrophobicContact CE2-CB 3.89Å; Y227-H256 HydrophobicContact CG-CB 3.87Å; Y227-H256 AromaticContact CG-CD2 3.42Å; Y227-H256 VanDerWaalsContact CG-CD2 3.42Å; Y227-H256 AromaticContact CG-CG 3.43Å; Y227-H256 VanDerWaalsContact CG-CG 3.43Å; Y227-H256 AromaticContact CG-ND1 3.84Å; Y227-H256 AromaticContact CG-NE2 3.86Å |
| 228 | H | 94 | Very high | 93.1 | Very high | 128 Ų | 128 | 51.1 Ų | 51.1 | 59% | 0.593 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | 144.4 | -179.4 | 64.1 | 64.4 | 0 | 0 | 0 | 110.2 | C230 | H228-C230 PolarHBondContact O-N 3.38Š|
| 229 | S | 90 | Very high | 92.9 | Very high | 102 Ų | 102 | 50.5 Ų | 50.5 | 71% | 0.713 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.5 | 14.1 | -178.4 | 56.5 | 0 | 0 | 0 | 0 | 117 | N255 | S229-N255 PolarHBondContact O-ND2 3.32Š|
| 230 | C | 94 | Very high | 92.2 | Very high | 19 Ų | 19 | 54.3 Ų | 54.3 | 13% | 0.128 | 27% | 0.271 | C | S | . | . | trans | -79.1 | 126.3 | 177.8 | -173.3 | 0 | 0 | 0 | 0 | 112.1 | C225 Y227 H228 N255 H256 | C225-C230 HydrophobicContact CB-CB 4.04Å; Y227-C230 HydrophobicContact CD1-CB 4.4Å; Y227-C230 WeakPolarHBondContact O-CB 3.09Å; Y227-C230 PolarHBondContact O-N 3.5Å; H228-C230 PolarHBondContact O-N 3.38Å; C230-N255 VanDerWaalsContact CA-OD1 3.31Å; C230-N255 WeakPolarHBondContact CA-OD1 3.32Å; C230-N255 WeakPolarHBondContact CB-OD1 3.35Å; C230-H256 PolarHBondContact SG-NE2 2.87Å | ||
| 231 | S | 94 | Very high | 91.3 | Very high | 73 Ų | 73 | 56.6 Ų | 56.6 | 51% | 0.51 | 30% | 0.302 | S | S | . | . | trans | -81.6 | -13.2 | -177.8 | 63.8 | 0 | 0 | 0 | 0 | 114.3 | K233 A253 | S231-K233 PolarHBondContact O-N 2.96Å; S231-A253 PolarHBondContact OG-O 2.79Å | ||
| 232 | M | 95.5 | Very high | 90.5 | Very high | 20 Ų | 20 | 59.7 Ų | 59.7 | 10% | 0.099 | 32% | 0.318 | C | S | . | . | trans | -65 | 129.2 | -174.5 | -175.9 | 66.3 | 82.1 | 0 | 0 | 113.2 | W205 C225 Y250 G252 H254 | W205-M232 HydrophobicContact CH2-CG 3.48Å; W205-M232 VanDerWaalsContact CH2-CG 3.48Å; W205-M232 HydrophobicContact CZ3-CG 3.88Å; C225-M232 HydrophobicContact CB-CB 4.26Å; C225-M232 PolarHBondContact N-O 2.93Å; M232-Y250 HydrophobicContact SD-CD1 4.39Å; M232-G252 WeakPolarHBondContact CE-O 3.46Å; M232-H254 WeakPolarHBondContact CG-NE2 3.06Å | ||
| 233 | K | 96.2 | Very high | 89.7 | Confident | 107 Ų | 107 | 58.1 Ų | 58.1 | 47% | 0.465 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 150.9 | 174.9 | -63.1 | 170.5 | -171.2 | 172.6 | 0 | 110 | Y208 Y223 K224 S231 Y250 K251 | Y208-K233 HydrophobicContact CE1-CG 4.5Å; Y223-K233 CarbonylContact O-C 3.49Å; Y223-K233 VanDerWaalsContact O-CA 3.24Å; Y223-K233 WeakPolarHBondContact O-CA 3.34Å; K224-K233 HydrophobicContact CB-CG 4.36Å; S231-K233 PolarHBondContact O-N 2.96Å; K233-Y250 CarbonylContact O-C 3.58Å; K233-Y250 WeakPolarHBondContact O-CA 3.29Å; K233-K251 PolarHBondContact N-O 2.83Å; K233-K251 PolarHBondContact O-N 2.84Å |
| 234 | K | 93.1 | Very high | 89 | Confident | 21 Ų | 21 | 62.6 Ų | 62.6 | 9% | 0.091 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 145.1 | 168.5 | 71.9 | -178.2 | 178.3 | -172.4 | 0 | 112.9 | D201 W205 Y223 I248 V249 Y250 | D201-K234 IonicContact OD2-NZ 2.68Å; D201-K234 PolarHBondContact OD2-NZ 2.76Å; W205-K234 VanDerWaalsContact CD1-NZ 3.34Å; W205-K234 HydrophobicContact CD2-CD 3.84Å; W205-K234 HydrophobicContact CD2-CG 4.17Å; W205-K234 VanDerWaalsContact CE2-CE 3.47Å; W205-K234 HydrophobicContact CE3-CD 3.91Å; W205-K234 HydrophobicContact CE3-CG 3.73Å; W205-K234 HydrophobicContact CH2-CB 4.18Å; W205-K234 HydrophobicContact CH2-CD 3.86Å; W205-K234 HydrophobicContact CH2-CG 4.05Å; W205-K234 HydrophobicContact CZ2-CD 3.8Å; W205-K234 HydrophobicContact CZ2-CG 4.47Å; W205-K234 HydrophobicContact CZ3-CB 3.98Å; W205-K234 HydrophobicContact CZ3-CD 3.92Å; W205-K234 HydrophobicContact CZ3-CG 3.67Å; Y223-K234 HydrophobicContact CD2-CG 4.27Å; Y223-K234 HydrophobicContact CG-CG 4.37Å; Y223-K234 PolarHBondContact N-O 2.9Å; Y223-K234 PolarHBondContact O-N 2.82Å; K234-I248 HydrophobicContact CB-CG2 4.21Å; K234-I248 HydrophobicContact CD-CG2 4.1Å; K234-V249 CarbonylContact C-O 3.57Å; K234-V249 VanDerWaalsContact CA-O 3.27Å; K234-V249 WeakPolarHBondContact CA-O 3.41Å; K234-Y250 HydrophobicContact CB-CD1 3.75Å; K234-Y250 HydrophobicContact CB-CE1 3.92Å; K234-Y250 HydrophobicContact CB-CG 4.27Å; K234-Y250 HydrophobicContact CD-CD1 4.24Å; K234-Y250 HydrophobicContact CD-CE1 3.54Å; K234-Y250 HydrophobicContact CG-CE1 4.36Å |
| 235 | K | 92.9 | Very high | 88.3 | Confident | 54 Ų | 54 | 59.5 Ų | 59.5 | 24% | 0.235 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 125.3 | 178.5 | 176.4 | -155.1 | -169.8 | -152.3 | 0 | 107.3 | R220 Y222 E237 I248 V249 | R220-K235 VanDerWaalsContact CD-CE 3.4Å; R220-K235 HydrophobicContact CG-CG 4.02Å; R220-K235 VanDerWaalsContact NE-CE 3.33Å; Y222-K235 HydrophobicContact CD1-CB 4.41Å; Y222-K235 HydrophobicContact CD1-CG 4.35Å; Y222-K235 HydrophobicContact CE1-CG 4.04Å; K235-E237 WeakPolarHBondContact CE-OE1 3.38Å; K235-E237 IonicContact NZ-OE1 2.58Å; K235-E237 PolarHBondContact NZ-OE1 3.2Å; K235-I248 CarbonylContact O-C 3.55Å; K235-I248 WeakPolarHBondContact O-CA 3.02Å; K235-V249 HydrophobicContact CB-CB 4.31Å; K235-V249 HydrophobicContact CD-CB 4.32Å; K235-V249 HydrophobicContact CD-CG2 4.37Å; K235-V249 PolarHBondContact N-O 2.79Å; K235-V249 PolarHBondContact O-N 3.19Å |
| 236 | V | 92 | Very high | 87.8 | Confident | 7 Ų | 7 | 61.8 Ų | 61.8 | 4% | 0.042 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 126.6 | -176.9 | -178.7 | 0 | 0 | 0 | 0 | 109.1 | R220 S221 Y223 I245 Q247 I248 | R220-V236 WeakPolarHBondContact CA-O 3.3Å; S221-V236 PolarHBondContact N-O 3.27Å; S221-V236 PolarHBondContact O-N 3.44Å; Y223-V236 HydrophobicContact CD2-CG2 3.82Å; Y223-V236 HydrophobicContact CE2-CB 3.98Å; Y223-V236 HydrophobicContact CE2-CG2 3.58Å; V236-I245 HydrophobicContact CG1-CB 4.47Å; V236-I245 HydrophobicContact CG1-CD1 3.88Å; V236-I245 HydrophobicContact CG1-CG1 3.86Å; V236-I245 HydrophobicContact CG1-CG2 3.84Å; V236-Q247 WeakPolarHBondContact CA-O 3.48Å; V236-I248 HydrophobicContact CG2-CG1 4.38Å; V236-I248 HydrophobicContact CG2-CG2 4.25Å |
| 237 | E | 88.7 | Confident | 87.2 | Confident | 25 Ų | 25 | 64.4 Ų | 64.4 | 12% | 0.117 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 151.4 | 177.2 | -49.5 | -156.8 | -162.1 | 0 | 0 | 109.9 | R220 K235 I245 T246 Q247 | R220-E237 HydrophobicContact CG-CG 4.15Å; R220-E237 IonicContact CZ-OE1 3.24Å; R220-E237 VanDerWaalsContact CZ-OE1 3.24Å; R220-E237 IonicContact CZ-OE2 3.3Å; R220-E237 VanDerWaalsContact CZ-OE2 3.3Å; R220-E237 IonicContact NE-OE1 2.97Å; R220-E237 PolarHBondContact NE-OE1 3.42Å; R220-E237 IonicContact NE-OE2 3.12Å; R220-E237 PolarHBondContact NE-OE2 2.9Å; R220-E237 VanDerWaalsContact NE-OE2 3.12Å; R220-E237 IonicContact NH2-OE1 3.05Å; R220-E237 PolarHBondContact NH2-OE1 3.17Å; R220-E237 IonicContact NH2-OE2 2.68Å; R220-E237 PolarHBondContact NH2-OE2 3.21Å; K235-E237 WeakPolarHBondContact CE-OE1 3.38Å; K235-E237 IonicContact NZ-OE1 2.58Å; K235-E237 PolarHBondContact NZ-OE1 3.2Å; E237-I245 CarbonylContact O-C 3.57Å; E237-I245 VanDerWaalsContact O-CA 3.32Å; E237-I245 WeakPolarHBondContact O-CA 3.33Å; E237-T246 PolarHBondContact O-N 3.13Å; E237-T246 PolarHBondContact O-OG1 2.71Å; E237-Q247 HydrophobicContact CB-CB 4.08Å; E237-Q247 HydrophobicContact CG-CB 4.27Å; E237-Q247 PolarHBondContact N-O 2.79Å; E237-Q247 PolarHBondContact OE1-OE1 2.91Å |
| 238 | R | 86.9 | Confident | 87 | Confident | 50 Ų | 50 | 62.3 Ų | 62.3 | 19% | 0.189 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 146.4 | -175 | -69.7 | 174.3 | -174.4 | -81.1 | -1.8 | 110.5 | N196 N218 G243 R244 I245 | N196-R238 PolarHBondContact ND2-NH2 3.1Å; N196-R238 PolarHBondContact OD1-NH1 3.36Å; N196-R238 PolarHBondContact OD1-NH2 3.09Å; N218-R238 HydrophobicContact CB-CB 3.73Å; R238-G243 WeakPolarHBondContact CD-O 3.47Å; R238-G243 WeakPolarHBondContact CG-O 3.4Å; R238-G243 PolarHBondContact NH1-O 2.92Å; R238-R244 CarbonylContact C-O 3.46Å; R238-R244 WeakPolarHBondContact CA-O 3.45Å; R238-R244 WeakPolarHBondContact CB-O 3.37Å; R238-I245 HydrophobicContact CG-CG1 4.2Å |
| 239 | A | 79.4 | Confident | 86.9 | Confident | 25 Ų | 25 | 58.3 Ų | 58.3 | 21% | 0.207 | 33% | 0.325 | C | S | . | . | trans | -66.4 | 152.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | N218 D242 G243 R244 T246 | N218-A239 PolarHBondContact ND2-O 3.06Å; A239-D242 VanDerWaalsContact CB-OD1 3.31Å; A239-D242 WeakPolarHBondContact CB-OD1 3.4Å; A239-G243 PolarHBondContact O-N 2.79Å; A239-R244 PolarHBondContact N-O 3.13Å; A239-T246 HydrophobicContact CB-CG2 3.44Å; A239-T246 VanDerWaalsContact CB-CG2 3.44Å | ||
| 240 | L | 77.1 | Confident | 87 | Confident | 108 Ų | 108 | 58.3 Ų | 58.3 | 57% | 0.565 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -46 | 177.6 | 173.6 | 60.2 | 0 | 0 | 0 | 112.3 | E217 N218 | E217-L240 HydrophobicContact CB-CD1 3.53Å; E217-L240 VanDerWaalsContact N-CD1 3.3Å; N218-L240 PolarHBondContact ND2-O 2.74Å |
| 241 | A | 75.1 | Confident | 86.8 | Confident | 103 Ų | 103 | 64.7 Ų | 64.7 | 85% | 0.851 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -26.7 | -165.4 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 242 | D | 78.6 | Confident | 86.6 | Confident | 70 Ų | 70 | 63.9 Ų | 63.9 | 37% | 0.374 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -140 | -2.1 | -164.6 | 63.7 | 12.1 | 0 | 0 | 0 | 115 | A239 R244 | A239-D242 VanDerWaalsContact CB-OD1 3.31Å; A239-D242 WeakPolarHBondContact CB-OD1 3.4Å; D242-R244 HydrophobicContact CB-CG 4.19Å; D242-R244 VanDerWaalsContact CG-CG 3.41Å; D242-R244 PolarHBondContact O-N 3.07Å; D242-R244 VanDerWaalsContact O-N 3.11Å; D242-R244 VanDerWaalsContact OD1-CB 3.27Å; D242-R244 WeakPolarHBondContact OD1-CB 3.36Å; D242-R244 WeakPolarHBondContact OD1-CG 3.22Å; D242-R244 PolarHBondContact OD1-N 3.45Å; D242-R244 WeakPolarHBondContact OD2-CD 3.49Å; D242-R244 WeakPolarHBondContact OD2-CG 3.49Å; D242-R244 IonicContact OD2-CZ 3.46Å; D242-R244 IonicContact OD2-NE 3.35Å; D242-R244 PolarHBondContact OD2-NE 3.03Å; D242-R244 IonicContact OD2-NH1 2.74Å; D242-R244 PolarHBondContact OD2-NH1 2.68Å |
| 243 | G | 80 | Confident | 86.4 | Confident | 20 Ų | 20 | 65.8 Ų | 65.8 | 21% | 0.206 | 36% | 0.358 | C | S | . | . | trans | 65.1 | 6.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | R238 A239 | R238-G243 WeakPolarHBondContact CD-O 3.47Å; R238-G243 WeakPolarHBondContact CG-O 3.4Å; R238-G243 PolarHBondContact NH1-O 2.92Å; A239-G243 PolarHBondContact O-N 2.79Å | ||
| 244 | R | 80.9 | Confident | 86.2 | Confident | 132 Ų | 132 | 62.6 Ų | 62.6 | 50% | 0.498 | 35% | 0.345 | S | S | . | . | trans | -67 | 148.8 | 175.2 | -65.3 | -177.5 | -163.5 | 137.1 | -9.1 | 109.8 | R238 A239 D242 T246 | R238-R244 CarbonylContact C-O 3.46Å; R238-R244 WeakPolarHBondContact CA-O 3.45Å; R238-R244 WeakPolarHBondContact CB-O 3.37Å; A239-R244 PolarHBondContact N-O 3.13Å; D242-R244 HydrophobicContact CB-CG 4.19Å; D242-R244 VanDerWaalsContact CG-CG 3.41Å; D242-R244 PolarHBondContact O-N 3.07Å; D242-R244 VanDerWaalsContact O-N 3.11Å; D242-R244 VanDerWaalsContact OD1-CB 3.27Å; D242-R244 WeakPolarHBondContact OD1-CB 3.36Å; D242-R244 WeakPolarHBondContact OD1-CG 3.22Å; D242-R244 PolarHBondContact OD1-N 3.45Å; D242-R244 WeakPolarHBondContact OD2-CD 3.49Å; D242-R244 WeakPolarHBondContact OD2-CG 3.49Å; D242-R244 IonicContact OD2-CZ 3.46Å; D242-R244 IonicContact OD2-NE 3.35Å; D242-R244 PolarHBondContact OD2-NE 3.03Å; D242-R244 IonicContact OD2-NH1 2.74Å; D242-R244 PolarHBondContact OD2-NH1 2.68Å; R244-T246 PolarHBondContact O-N 3.41Å | ||
| 245 | I | 81.7 | Confident | 86.1 | Confident | 43 Ų | 43 | 65.9 Ų | 65.9 | 22% | 0.221 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 117.9 | -178.2 | -64 | 172.8 | 0 | 0 | 0 | 109.2 | L199 V236 E237 R238 I248 | L199-I245 HydrophobicContact CD1-CD1 4.31Å; V236-I245 HydrophobicContact CG1-CB 4.47Å; V236-I245 HydrophobicContact CG1-CD1 3.88Å; V236-I245 HydrophobicContact CG1-CG1 3.86Å; V236-I245 HydrophobicContact CG1-CG2 3.84Å; E237-I245 CarbonylContact O-C 3.57Å; E237-I245 VanDerWaalsContact O-CA 3.32Å; E237-I245 WeakPolarHBondContact O-CA 3.33Å; R238-I245 HydrophobicContact CG-CG1 4.2Å; I245-I248 HydrophobicContact CG2-CD1 4.02Å; I245-I248 HydrophobicContact CG2-CG1 3.55Å |
| 246 | T | 85.5 | Confident | 86.1 | Confident | 55 Ų | 55 | 64.2 Ų | 64.2 | 34% | 0.337 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | -27 | 178.9 | 45.4 | 0 | 0 | 0 | 0 | 112.9 | E237 A239 R244 | E237-T246 PolarHBondContact O-N 3.13Å; E237-T246 PolarHBondContact O-OG1 2.71Å; A239-T246 HydrophobicContact CB-CG2 3.44Å; A239-T246 VanDerWaalsContact CB-CG2 3.44Å; R244-T246 PolarHBondContact O-N 3.41Å |
| 247 | Q | 82.2 | Confident | 85.9 | Confident | 95 Ų | 95 | 69 Ų | 69 | 44% | 0.444 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 138.6 | -179.5 | -157.5 | -177.8 | 41.1 | 0 | 0 | 111.2 | V236 E237 V249 | V236-Q247 WeakPolarHBondContact CA-O 3.48Å; E237-Q247 HydrophobicContact CB-CB 4.08Å; E237-Q247 HydrophobicContact CG-CB 4.27Å; E237-Q247 PolarHBondContact N-O 2.79Å; E237-Q247 PolarHBondContact OE1-OE1 2.91Å; Q247-V249 HydrophobicContact CG-CG2 3.88Å |
| 248 | I | 89.8 | Confident | 85.9 | Confident | 52 Ų | 52 | 73 Ų | 73 | 27% | 0.267 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 117.6 | 163.2 | -50.9 | -179 | 0 | 0 | 0 | 108.1 | K234 K235 V236 I245 Y250 | K234-I248 HydrophobicContact CB-CG2 4.21Å; K234-I248 HydrophobicContact CD-CG2 4.1Å; K235-I248 CarbonylContact O-C 3.55Å; K235-I248 WeakPolarHBondContact O-CA 3.02Å; V236-I248 HydrophobicContact CG2-CG1 4.38Å; V236-I248 HydrophobicContact CG2-CG2 4.25Å; I245-I248 HydrophobicContact CG2-CD1 4.02Å; I245-I248 HydrophobicContact CG2-CG1 3.55Å; I248-Y250 HydrophobicContact CB-CE2 4.11Å; I248-Y250 HydrophobicContact CG2-CD2 4.02Å; I248-Y250 HydrophobicContact CG2-CE1 4.43Å; I248-Y250 HydrophobicContact CG2-CE2 3.41Å; I248-Y250 VanDerWaalsContact CG2-CE2 3.41Å |
| 249 | V | 91 | Very high | 85.7 | Confident | 43 Ų | 43 | 72.6 Ų | 72.6 | 26% | 0.261 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 116.3 | 176.6 | -175 | 0 | 0 | 0 | 0 | 109 | K234 K235 Q247 | K234-V249 CarbonylContact C-O 3.57Å; K234-V249 VanDerWaalsContact CA-O 3.27Å; K234-V249 WeakPolarHBondContact CA-O 3.41Å; K235-V249 HydrophobicContact CB-CB 4.31Å; K235-V249 HydrophobicContact CD-CB 4.32Å; K235-V249 HydrophobicContact CD-CG2 4.37Å; K235-V249 PolarHBondContact N-O 2.79Å; K235-V249 PolarHBondContact O-N 3.19Å; Q247-V249 HydrophobicContact CG-CG2 3.88Å |
| 250 | Y | 92.7 | Very high | 85.3 | Confident | 102 Ų | 102 | 78.8 Ų | 78.8 | 40% | 0.4 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 145.9 | 174.6 | -64.1 | -95.1 | 0 | 0 | 0 | 110.4 | D201 W205 M232 K233 K234 I248 | D201-Y250 PolarHBondContact OD2-OH 2.76Å; W205-Y250 AromaticContact CH2-CD1 3.89Å; W205-Y250 HydrophobicContact CH2-CD1 3.89Å; W205-Y250 AromaticContact CH2-CE1 3.83Å; W205-Y250 HydrophobicContact CH2-CE1 3.83Å; W205-Y250 HydrophobicContact CZ2-CD1 4.28Å; W205-Y250 AromaticContact CZ2-CE1 3.77Å; W205-Y250 HydrophobicContact CZ2-CE1 3.77Å; M232-Y250 HydrophobicContact SD-CD1 4.39Å; K233-Y250 CarbonylContact O-C 3.58Å; K233-Y250 WeakPolarHBondContact O-CA 3.29Å; K234-Y250 HydrophobicContact CB-CD1 3.75Å; K234-Y250 HydrophobicContact CB-CE1 3.92Å; K234-Y250 HydrophobicContact CB-CG 4.27Å; K234-Y250 HydrophobicContact CD-CD1 4.24Å; K234-Y250 HydrophobicContact CD-CE1 3.54Å; K234-Y250 HydrophobicContact CG-CE1 4.36Å; I248-Y250 HydrophobicContact CB-CE2 4.11Å; I248-Y250 HydrophobicContact CG2-CD2 4.02Å; I248-Y250 HydrophobicContact CG2-CE1 4.43Å; I248-Y250 HydrophobicContact CG2-CE2 3.41Å; I248-Y250 VanDerWaalsContact CG2-CE2 3.41Å |
| 251 | K | 89.1 | Confident | 84.7 | Confident | 153 Ų | 153 | 78 Ų | 78 | 67% | 0.665 | 44% | 0.441 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 127.2 | 176.3 | -69.3 | -164.2 | 172.7 | -161.6 | 0 | 110.5 | K233 | K233-K251 PolarHBondContact N-O 2.83Å; K233-K251 PolarHBondContact O-N 2.84Å |
| 252 | G | 90.6 | Very high | 83.7 | Confident | 57 Ų | 57 | 78.1 Ų | 78.1 | 59% | 0.588 | 43% | 0.431 | S | S | * | . | S | Bend | trans | 102.4 | -166.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | M232 | M232-G252 WeakPolarHBondContact CE-O 3.46Š|
| 253 | A | 89.8 | Confident | 82.3 | Confident | 60 Ų | 60 | 84.5 Ų | 84.5 | 50% | 0.496 | 45% | 0.45 | S | S | . | . | trans | -134.6 | 153.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | S231 | S231-A253 PolarHBondContact OG-O 2.79Š| ||
| 254 | H | 93.9 | Very high | 80.7 | Confident | 40 Ų | 40 | 94.3 Ų | 94.3 | 19% | 0.185 | 48% | 0.481 | C | S | . | . | trans | -81.8 | 125.2 | 168.2 | -71.5 | -80 | 0 | 0 | 0 | 109.1 | Y203 M232 H256 | Y203-H254 AromaticContact CD1-CE1 3.38Å; Y203-H254 WeakPolarHBondContact CD1-CE1 3.39Å; Y203-H254 AromaticContact CD1-CG 3.97Å; Y203-H254 AromaticContact CD1-ND1 3.56Å; Y203-H254 AromaticContact CD1-NE2 3.7Å; Y203-H254 AromaticContact CD2-CD2 3.9Å; Y203-H254 AromaticContact CD2-CE1 3.77Å; Y203-H254 AromaticContact CD2-NE2 3.3Å; Y203-H254 VanDerWaalsContact CD2-NE2 3.3Å; Y203-H254 WeakPolarHBondContact CD2-NE2 3.41Å; Y203-H254 HydrophobicContact CE1-CB 4.1Å; Y203-H254 AromaticContact CE1-CD2 3.65Å; Y203-H254 AromaticContact CE1-CE1 3.75Å; Y203-H254 AromaticContact CE1-CG 3.53Å; Y203-H254 AromaticContact CE1-ND1 3.61Å; Y203-H254 AromaticContact CE1-NE2 3.8Å; Y203-H254 AromaticContact CE2-CD2 3.47Å; Y203-H254 VanDerWaalsContact CE2-CD2 3.47Å; Y203-H254 WeakPolarHBondContact CE2-CD2 3.35Å; Y203-H254 AromaticContact CE2-NE2 3.39Å; Y203-H254 WeakPolarHBondContact CE2-NE2 3.38Å; Y203-H254 AromaticContact CG-CE1 3.37Å; Y203-H254 AromaticContact CG-NE2 3.43Å; Y203-H254 AromaticContact CZ-CD2 3.33Å; Y203-H254 AromaticContact CZ-CG 3.66Å; Y203-H254 AromaticContact CZ-NE2 3.64Å; M232-H254 WeakPolarHBondContact CG-NE2 3.06Å; H254-H256 VanDerWaalsContact C-N 3.3Å; H254-H256 AromaticContact CG-NE2 3.92Å; H254-H256 AromaticContact ND1-CD2 3.99Å; H254-H256 AromaticContact ND1-CE1 3.56Å; H254-H256 AromaticContact ND1-NE2 3.04Å; H254-H256 PolarHBondContact ND1-NE2 3.32Å | ||
| 255 | N | 90.8 | Very high | 78.9 | Confident | 90 Ų | 90 | 94.6 Ų | 94.6 | 48% | 0.481 | 49% | 0.492 | S | S | . | . | S | Bend | trans | -96.9 | 24.3 | 174.4 | 59.5 | -11.2 | 0 | 0 | 0 | 112 | S229 C230 | S229-N255 PolarHBondContact O-ND2 3.32Å; C230-N255 VanDerWaalsContact CA-OD1 3.31Å; C230-N255 WeakPolarHBondContact CA-OD1 3.32Å; C230-N255 WeakPolarHBondContact CB-OD1 3.35Å |
| 256 | H | 91.4 | Very high | 77 | Confident | 18 Ų | 18 | 98.2 Ų | 98.2 | 8% | 0.083 | 52% | 0.521 | C | S | . | . | S | Bend | trans | -151.9 | 152.5 | -176.3 | 64.6 | 89.2 | 0 | 0 | 0 | 109.5 | Y203 C225 Y227 C230 H254 | Y203-H256 AromaticContact CD1-CE1 3.78Å; C225-H256 PolarHBondContact SG-NE2 3.18Å; Y227-H256 VanDerWaalsContact CB-CD2 3.46Å; Y227-H256 WeakPolarHBondContact CB-CD2 3.46Å; Y227-H256 WeakPolarHBondContact CB-NE2 3.27Å; Y227-H256 HydrophobicContact CD1-CB 3.54Å; Y227-H256 AromaticContact CD1-CD2 3.37Å; Y227-H256 WeakPolarHBondContact CD1-CD2 3.35Å; Y227-H256 AromaticContact CD1-CG 3.48Å; Y227-H256 VanDerWaalsContact CD1-CG 3.48Å; Y227-H256 HydrophobicContact CD2-CB 4.04Å; Y227-H256 AromaticContact CD2-CG 3.81Å; Y227-H256 AromaticContact CD2-ND1 3.93Å; Y227-H256 HydrophobicContact CE1-CB 3.41Å; Y227-H256 VanDerWaalsContact CE1-CB 3.41Å; Y227-H256 AromaticContact CE1-CG 3.92Å; Y227-H256 HydrophobicContact CE2-CB 3.89Å; Y227-H256 HydrophobicContact CG-CB 3.87Å; Y227-H256 AromaticContact CG-CD2 3.42Å; Y227-H256 VanDerWaalsContact CG-CD2 3.42Å; Y227-H256 AromaticContact CG-CG 3.43Å; Y227-H256 VanDerWaalsContact CG-CG 3.43Å; Y227-H256 AromaticContact CG-ND1 3.84Å; Y227-H256 AromaticContact CG-NE2 3.86Å; C230-H256 PolarHBondContact SG-NE2 2.87Å; H254-H256 VanDerWaalsContact C-N 3.3Å; H254-H256 AromaticContact CG-NE2 3.92Å; H254-H256 AromaticContact ND1-CD2 3.99Å; H254-H256 AromaticContact ND1-CE1 3.56Å; H254-H256 AromaticContact ND1-NE2 3.04Å; H254-H256 PolarHBondContact ND1-NE2 3.32Å |
| 257 | P | 88.4 | Confident | 75.3 | Confident | 109 Ų | 109 | 100.3 Ų | 100.3 | 71% | 0.708 | 54% | 0.538 | S | S | * | . | P | Polyproline II helix | trans | -60.9 | 153.1 | 171.9 | 27.2 | -34.8 | 0 | 0 | 0 | 110.4 | ||
| 258 | K | 88.8 | Confident | 73.3 | Confident | 108 Ų | 108 | 99.8 Ų | 99.8 | 47% | 0.47 | 56% | 0.558 | S | S | . | * | P | Polyproline II helix | trans | -57.6 | 120.4 | 171.8 | -174.3 | 167.4 | -70.9 | -167.1 | 0 | 108.7 | D201 G202 Y203 L260 | D201-K258 WeakPolarHBondContact O-CE 3.46Å; D201-K258 PolarHBondContact O-NZ 2.82Å; G202-K258 WeakPolarHBondContact O-CG 3.36Å; Y203-K258 HydrophobicContact CD1-CB 4.36Å; Y203-K258 HydrophobicContact CD1-CG 4.19Å; Y203-K258 HydrophobicContact CE1-CB 3.78Å; Y203-K258 HydrophobicContact CE1-CG 4.04Å; Y203-K258 VanDerWaalsContact CZ-CE 3.44Å; K258-L260 PolarHBondContact O-N 2.8Å |
| 259 | P | 83.7 | Confident | 70.8 | Confident | 41 Ų | 41 | 101.4 Ų | 101.4 | 27% | 0.266 | 59% | 0.588 | S | S | . | * | P | Polyproline II helix | trans | -59.5 | 137.8 | -177.3 | 24.7 | -33.2 | 0 | 0 | 0 | 109.2 | G202 S261 | G202-P259 WeakPolarHBondContact O-CD 3.38Å; P259-S261 PolarHBondContact O-N 3.41Å |
| 260 | L | 69.4 | Low | 68.1 | Low | 155 Ų | 155 | 103.2 Ų | 103.2 | 81% | 0.812 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 130.3 | 172.1 | -64.1 | 175.6 | 0 | 0 | 0 | 107.9 | K258 T262 | K258-L260 PolarHBondContact O-N 2.8Å; L260-T262 PolarHBondContact O-N 3.12Å |
| 261 | S | 64.5 | Low | 65.3 | Low | 92 Ų | 92 | 103.6 Ų | 103.6 | 64% | 0.643 | 64% | 0.639 | S | S | * | * | trans | -72.7 | 74.2 | -178.7 | -171 | 0 | 0 | 0 | 0 | 109.8 | P259 R263 | P259-S261 PolarHBondContact O-N 3.41Å; S261-R263 VanDerWaalsContact C-N 3.27Å; S261-R263 PolarHBondContact O-N 3.09Å | ||
| 262 | T | 54.1 | Low | 63 | Low | 105 Ų | 105 | 100.8 Ų | 100.8 | 64% | 0.644 | 65% | 0.645 | S | S | * | * | trans | -74.3 | 83.9 | 176.5 | -64.4 | 0 | 0 | 0 | 0 | 108.6 | L260 R264 | L260-T262 PolarHBondContact O-N 3.12Å; T262-R264 HydrophobicContact CG2-CB 4.05Å; T262-R264 HydrophobicContact CG2-CG 3.82Å; T262-R264 PolarHBondContact O-N 3.29Å | ||
| 263 | R | 50.4 | Low | 60.5 | Low | 204 Ų | 204 | 107 Ų | 107 | 77% | 0.77 | 66% | 0.658 | S | S | * | * | trans | -68.7 | 87.8 | 151.2 | -74.2 | -163.2 | 174.9 | -131.2 | -2.3 | 107.6 | S261 N265 | S261-R263 VanDerWaalsContact C-N 3.27Å; S261-R263 PolarHBondContact O-N 3.09Å; R263-N265 VanDerWaalsContact C-N 3.3Å; R263-N265 PolarHBondContact O-N 3.15Å | ||
| 264 | R | 46.6 | Very low | 58 | Low | 226 Ų | 226 | 112.7 Ų | 112.7 | 85% | 0.853 | 68% | 0.675 | S | S | * | * | trans | -67.1 | 92.2 | 170.4 | -120.4 | -179.9 | -174 | -176.2 | 2 | 108 | T262 | T262-R264 HydrophobicContact CG2-CB 4.05Å; T262-R264 HydrophobicContact CG2-CG 3.82Å; T262-R264 PolarHBondContact O-N 3.29Å | ||
| 265 | N | 42.6 | Very low | 55.4 | Low | 138 Ų | 138 | 117.7 Ų | 117.7 | 74% | 0.738 | 70% | 0.702 | S | S | * | * | trans | -79 | 118.5 | 163.9 | -152.9 | 85.9 | 0 | 0 | 0 | 107 | R263 S267 | R263-N265 VanDerWaalsContact C-N 3.3Å; R263-N265 PolarHBondContact O-N 3.15Å; N265-S267 PolarHBondContact O-N 3.45Å | ||
| 266 | S | 41.5 | Very low | 52.9 | Low | 120 Ų | 120 | 122.7 Ų | 122.7 | 84% | 0.839 | 72% | 0.722 | S | S | * | * | trans | -74.4 | 91.9 | -171.2 | -47.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 267 | S | 50.5 | Low | 50.4 | Low | 99 Ų | 99 | 126.9 Ų | 126.9 | 69% | 0.692 | 76% | 0.76 | S | S | * | * | trans | -154 | 143.3 | 171.1 | -47.7 | 0 | 0 | 0 | 0 | 108.7 | N265 | N265-S267 PolarHBondContact O-N 3.45Š| ||
| 268 | G | 39.4 | Very low | 47.9 | Very low | 83 Ų | 83 | 125.3 Ų | 125.3 | 86% | 0.856 | 76% | 0.764 | S | S | * | * | trans | -63.6 | 167.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 269 | G | 37.2 | Very low | 45.5 | Very low | 87 Ų | 87 | 127.8 Ų | 127.8 | 90% | 0.897 | 78% | 0.783 | S | S | * | * | cis | 128.7 | 124.3 | 12.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 270 | G | 35.2 | Very low | 43.6 | Very low | 81 Ų | 81 | 131.9 Ų | 131.9 | 84% | 0.835 | 81% | 0.812 | S | S | * | * | trans | 112.1 | 106.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 271 | A | 34 | Very low | 42.3 | Very low | 109 Ų | 109 | 129.6 Ų | 129.6 | 90% | 0.901 | 81% | 0.809 | S | S | * | * | trans | 16.3 | 129.4 | 147.9 | 0 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 272 | A | 39.5 | Very low | 41.3 | Very low | 95 Ų | 95 | 132.8 Ų | 132.8 | 79% | 0.785 | 82% | 0.818 | S | S | * | * | trans | -169.9 | 113.2 | 131.2 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 273 | E | 38.7 | Very low | 40.6 | Very low | 187 Ų | 187 | 133.1 Ų | 133.1 | 87% | 0.874 | 83% | 0.825 | S | S | * | * | 52.1 | 101.4 | 69.4 | -81.8 | -99.9 | 98.9 | 0 | 0 | 114.2 | |||||
| 274 | E | 36.7 | Very low | 39.7 | Very low | 180 Ų | 180 | 128 Ų | 128 | 84% | 0.841 | 83% | 0.826 | S | S | * | * | trans | -160.8 | 104.4 | 141.9 | -171.2 | 140.9 | 117 | 0 | 0 | 112.1 | ||||
| 275 | L | 40.2 | Very low | 39.4 | Very low | 145 Ų | 145 | 124.6 Ų | 124.6 | 76% | 0.759 | 83% | 0.83 | S | S | * | * | trans | 31.6 | 125.5 | 145.4 | -70.8 | 133.6 | 0 | 0 | 0 | 122.4 | ||||
| 276 | Q | 39.1 | Very low | 39 | Very low | 194 Ų | 194 | 123 Ų | 123 | 91% | 0.907 | 84% | 0.837 | S | S | * | * | -166.6 | 116.8 | 113 | -105.4 | 167.5 | 21 | 0 | 0 | 115.4 | |||||
| 277 | A | 37.8 | Very low | 38.8 | Very low | 106 Ų | 106 | 121.9 Ų | 121.9 | 88% | 0.876 | 83% | 0.834 | S | S | * | * | trans | 25.8 | 133.5 | 150.6 | 0 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 278 | G | 36.8 | Very low | 38.3 | Very low | 77 Ų | 77 | 122.2 Ų | 122.2 | 79% | 0.794 | 84% | 0.843 | S | S | * | * | trans | 166.2 | 83.5 | 161.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 279 | N | 38.3 | Very low | 38.2 | Very low | 160 Ų | 160 | 121.9 Ų | 121.9 | 86% | 0.856 | 84% | 0.839 | S | S | * | * | trans | -45.9 | 140.2 | -177.4 | -59.5 | -2.2 | 0 | 0 | 0 | 116.4 | ||||
| 280 | S | 43 | Very low | 38.1 | Very low | 126 Ų | 126 | 123 Ų | 123 | 88% | 0.881 | 83% | 0.832 | S | S | * | * | -167.8 | 142.2 | 118.3 | -80.2 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 281 | S | 42.2 | Very low | 38.4 | Very low | 108 Ų | 108 | 126.2 Ų | 126.2 | 76% | 0.755 | 84% | 0.836 | S | S | * | * | trans | -85.3 | 157.5 | -170.9 | 46.9 | 0 | 0 | 0 | 0 | 114 | ||||
| 282 | L | 42.7 | Very low | 38.6 | Very low | 159 Ų | 159 | 124.1 Ų | 124.1 | 83% | 0.832 | 83% | 0.825 | S | S | * | * | -175.1 | 107.3 | 121.7 | -95.9 | 158.4 | 0 | 0 | 0 | 112.8 | |||||
| 283 | S | 40.4 | Very low | 39 | Very low | 111 Ų | 111 | 125 Ų | 125 | 78% | 0.776 | 82% | 0.823 | S | S | * | * | trans | 38.5 | 117.6 | 147.4 | 53.2 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 284 | A | 31.7 | Very low | 39.2 | Very low | 97 Ų | 97 | 123.4 Ų | 123.4 | 80% | 0.802 | 82% | 0.815 | S | S | * | * | trans | -89.1 | 159.6 | 162.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 285 | V | 40.3 | Very low | 39.5 | Very low | 154 Ų | 154 | 122.9 Ų | 122.9 | 93% | 0.933 | 81% | 0.812 | S | S | * | * | trans | -131.2 | 140.6 | 153.8 | -71.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 286 | A | 33.9 | Very low | 39.6 | Very low | 106 Ų | 106 | 122 Ų | 122 | 88% | 0.876 | 82% | 0.818 | S | S | * | * | trans | -136.8 | 129.8 | -173.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 287 | A | 37.2 | Very low | 39.5 | Very low | 96 Ų | 96 | 116.4 Ų | 116.4 | 79% | 0.793 | 81% | 0.813 | S | S | * | * | trans | -172.6 | 120 | 159.1 | 0 | 0 | 0 | 0 | 0 | 106 | ||||
| 288 | A | 40.8 | Very low | 39.5 | Very low | 106 Ų | 106 | 116 Ų | 116 | 88% | 0.876 | 81% | 0.809 | S | S | * | * | 81.3 | 118.8 | 59.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 289 | G | 36.9 | Very low | 39.9 | Very low | 75 Ų | 75 | 118.3 Ų | 118.3 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | trans | 96.9 | 140.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 290 | C | 34.2 | Very low | 40 | Very low | 110 Ų | 110 | 115.6 Ų | 115.6 | 74% | 0.743 | 81% | 0.808 | S | S | * | * | cis | 168.7 | 145.3 | -20.5 | 45.2 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 291 | T | 41.3 | Very low | 40.2 | Very low | 149 Ų | 149 | 118.2 Ų | 118.2 | 91% | 0.914 | 81% | 0.806 | S | S | * | * | trans | 58.3 | 141.8 | 168.1 | 61.1 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 292 | G | 39 | Very low | 40.2 | Very low | 65 Ų | 65 | 120 Ų | 120 | 67% | 0.67 | 81% | 0.808 | S | S | * | * | cis | -170.6 | -170.6 | 12.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 293 | P | 48.6 | Very low | 40.4 | Very low | 115 Ų | 115 | 118.1 Ų | 118.1 | 75% | 0.747 | 81% | 0.808 | S | S | * | * | trans | -84.7 | -177.5 | -160 | 0.8 | 20.1 | 0 | 0 | 0 | 113.6 | ||||
| 294 | E | 41.4 | Very low | 40.5 | Very low | 153 Ų | 153 | 117.8 Ų | 117.8 | 72% | 0.715 | 81% | 0.805 | S | S | * | * | cis | -161.1 | 176.2 | 36.8 | 19.7 | -120.1 | 49.9 | 0 | 0 | 114.2 | ||||
| 295 | H | 42.7 | Very low | 41.4 | Very low | 169 Ų | 169 | 119.3 Ų | 119.3 | 78% | 0.782 | 81% | 0.805 | S | S | * | * | trans | 100.3 | 98.3 | 165.1 | -64.5 | -80.6 | 0 | 0 | 0 | 121.2 | ||||
| 296 | S | 42.7 | Very low | 42.2 | Very low | 126 Ų | 126 | 118.4 Ų | 118.4 | 88% | 0.881 | 80% | 0.8 | S | S | * | * | trans | 40.2 | 138.9 | 131.6 | -50.8 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 297 | G | 36.8 | Very low | 43.6 | Very low | 77 Ų | 77 | 123.1 Ų | 123.1 | 79% | 0.794 | 80% | 0.8 | S | S | * | * | cis | -175.4 | 172.5 | 3.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 298 | A | 39 | Very low | 44.9 | Very low | 97 Ų | 97 | 122.3 Ų | 122.3 | 80% | 0.802 | 80% | 0.801 | S | S | * | * | trans | -85.2 | 172.1 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 299 | T | 43.9 | Very low | 45.6 | Very low | 125 Ų | 125 | 124.6 Ų | 124.6 | 77% | 0.767 | 80% | 0.799 | S | S | * | * | -161.6 | 163 | 76.8 | 40.1 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 300 | A | 41.9 | Very low | 47 | Very low | 104 Ų | 104 | 128.7 Ų | 128.7 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | trans | -147.9 | 127.9 | 159.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 301 | E | 47.2 | Very low | 48.1 | Very low | 180 Ų | 180 | 132.3 Ų | 132.3 | 84% | 0.841 | 81% | 0.809 | S | S | * | * | trans | -151.2 | 160.5 | 174.1 | 58.5 | -163.9 | 105.2 | 0 | 0 | 112.9 | ||||
| 302 | N | 41.8 | Very low | 49 | Very low | 146 Ų | 146 | 130.2 Ų | 130.2 | 78% | 0.781 | 81% | 0.807 | S | S | * | * | trans | -143.8 | 136.9 | -161.5 | 158.9 | 100.1 | 0 | 0 | 0 | 109 | ||||
| 303 | S | 45.7 | Very low | 49.8 | Very low | 120 Ų | 120 | 136.5 Ų | 136.5 | 84% | 0.839 | 82% | 0.819 | S | S | * | * | trans | -144 | 120.5 | 171 | 43.9 | 0 | 0 | 0 | 0 | 113 | ||||
| 304 | S | 44.3 | Very low | 49.6 | Very low | 103 Ų | 103 | 139.1 Ų | 139.1 | 72% | 0.72 | 83% | 0.827 | S | S | * | * | trans | -93.2 | 152.1 | 173.7 | 42.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 305 | V | 50.5 | Low | 49.7 | Very low | 130 Ų | 130 | 134.9 Ų | 134.9 | 79% | 0.788 | 82% | 0.824 | S | S | * | * | trans | -100 | 137.5 | 176.8 | -66.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 306 | T | 55.8 | Low | 50.1 | Low | 135 Ų | 135 | 131.4 Ų | 131.4 | 83% | 0.828 | 82% | 0.819 | S | S | * | * | trans | -138 | 128.9 | 169.9 | 47.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 307 | F | 64.9 | Low | 50.4 | Low | 204 Ų | 204 | 132.4 Ų | 132.4 | 90% | 0.895 | 81% | 0.81 | S | S | * | * | trans | -86.4 | 143 | 175 | -71.7 | -87.3 | 0 | 0 | 0 | 110.3 | ||||
| 308 | G | 62.9 | Low | 51.1 | Low | 79 Ų | 79 | 137.5 Ų | 137.5 | 81% | 0.814 | 81% | 0.805 | S | S | * | * | trans | -82.3 | 168.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 309 | D | 56.6 | Low | 51.7 | Low | 154 Ų | 154 | 138.6 Ų | 138.6 | 82% | 0.824 | 81% | 0.807 | S | S | * | * | trans | -124.5 | 135.7 | 174.3 | -175.4 | 41 | 0 | 0 | 0 | 106.3 | ||||
| 310 | D | 65.8 | Low | 51.8 | Low | 161 Ų | 161 | 140.5 Ų | 140.5 | 86% | 0.861 | 81% | 0.812 | S | S | * | * | trans | -133.7 | 121 | -175.2 | -111.9 | -64.2 | 0 | 0 | 0 | 108.7 | ||||
| 311 | E | 56.7 | Low | 52.5 | Low | 187 Ų | 187 | 139.2 Ų | 139.2 | 87% | 0.874 | 81% | 0.809 | S | S | * | * | trans | -88.1 | 140 | -176.1 | -58.7 | -167.5 | 117.7 | 0 | 0 | 111.9 | ||||
| 312 | A | 60.5 | Low | 52.7 | Low | 105 Ų | 105 | 138.4 Ų | 138.4 | 87% | 0.868 | 81% | 0.81 | S | S | * | * | trans | -150.3 | 138.7 | 164.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 313 | E | 55.4 | Low | 53.7 | Low | 197 Ų | 197 | 140.4 Ų | 140.4 | 92% | 0.921 | 82% | 0.815 | S | S | * | * | trans | -67.9 | 161.5 | -178.5 | -65 | 179.9 | 79.6 | 0 | 0 | 114.8 | ||||
| 314 | N | 45.9 | Very low | 54.3 | Low | 169 Ų | 169 | 139.7 Ų | 139.7 | 90% | 0.904 | 81% | 0.808 | S | S | * | * | 136.7 | 142.8 | 126.1 | -170.1 | 19.3 | 0 | 0 | 0 | 113.2 | |||||
| 315 | G | 43.7 | Very low | 54.3 | Low | 65 Ų | 65 | 139.8 Ų | 139.8 | 67% | 0.67 | 80% | 0.8 | S | S | * | * | trans | 125.4 | 61.9 | 160.2 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 316 | S | 51.4 | Low | 54.5 | Low | 96 Ų | 96 | 138.6 Ų | 138.6 | 67% | 0.671 | 80% | 0.804 | S | S | * | * | trans | -35.1 | 133.7 | 159.6 | 158.5 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 317 | Q | 47.5 | Very low | 54.4 | Low | 146 Ų | 146 | 140.2 Ų | 140.2 | 68% | 0.682 | 80% | 0.8 | S | S | * | * | trans | -169.1 | 88.3 | 144.3 | -177.3 | 91.3 | 0.9 | 0 | 0 | 113.7 | ||||
| 318 | R | 51.4 | Low | 53.3 | Low | 185 Ų | 185 | 140.8 Ų | 140.8 | 70% | 0.698 | 80% | 0.796 | S | S | * | * | trans | 12.7 | 128.8 | 138.7 | 61.9 | -154.7 | 138.6 | -132.5 | -7.6 | 121.7 | ||||
| 319 | S | 51.4 | Low | 52.5 | Low | 119 Ų | 119 | 149.5 Ų | 149.5 | 83% | 0.832 | 80% | 0.804 | S | S | * | * | -174.2 | 126.8 | 121.5 | -169.2 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 320 | D | 46.5 | Very low | 52.1 | Low | 165 Ų | 165 | 149 Ų | 149 | 88% | 0.882 | 80% | 0.795 | S | S | * | * | trans | -75.6 | 166.1 | 169.4 | -62.7 | -86.7 | 0 | 0 | 0 | 112.8 | ||||
| 321 | G | 56.9 | Low | 50.9 | Low | 77 Ų | 77 | 146.9 Ų | 146.9 | 79% | 0.794 | 78% | 0.78 | S | S | * | * | trans | -174.5 | 100.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 322 | D | 50.4 | Low | 50.6 | Low | 163 Ų | 163 | 146.8 Ų | 146.8 | 87% | 0.872 | 78% | 0.779 | S | S | * | * | trans | -65.3 | 163.3 | 177.2 | -135 | -75.9 | 0 | 0 | 0 | 113.5 | ||||
| 323 | E | 63.1 | Low | 50 | Low | 188 Ų | 188 | 147.8 Ų | 147.8 | 88% | 0.879 | 77% | 0.77 | S | S | * | * | trans | 160 | 138.3 | 133.6 | -163 | 159.7 | 96.7 | 0 | 0 | 112.4 | ||||
| 324 | P | 59.8 | Low | 49.8 | Very low | 105 Ų | 105 | 142.1 Ų | 142.1 | 68% | 0.682 | 76% | 0.764 | S | S | * | * | trans | -119.7 | 166.6 | -155.8 | 43.4 | -34.1 | 0 | 0 | 0 | 118.5 | ||||
| 325 | D | 43.9 | Very low | 49.9 | Very low | 106 Ų | 106 | 143.3 Ų | 143.3 | 57% | 0.567 | 76% | 0.764 | S | S | * | * | trans | 31.2 | 115.8 | 143 | -172.5 | 30.3 | 0 | 0 | 0 | 121.4 | K327 | D325-K327 WeakPolarHBondContact OD1-CG 3.41Å; D325-K327 PolarHBondContact OD1-N 3Å; D325-K327 VanDerWaalsContact OD2-CE 3.32Å; D325-K327 WeakPolarHBondContact OD2-CE 3.43Å; D325-K327 WeakPolarHBondContact OD2-CG 3.28Å; D325-K327 IonicContact OD2-NZ 2.6Å; D325-K327 PolarHBondContact OD2-NZ 2.76Å | ||
| 326 | A | 55.1 | Low | 50 | Low | 105 Ų | 105 | 147.9 Ų | 147.9 | 87% | 0.868 | 77% | 0.773 | S | S | * | * | trans | -124.9 | 99.1 | 159.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 327 | K | 53.7 | Low | 49.8 | Very low | 169 Ų | 169 | 152.2 Ų | 152.2 | 74% | 0.735 | 78% | 0.783 | S | S | * | * | trans | -67.3 | 165.1 | -177.2 | -56.4 | 176.5 | 171.5 | 74.2 | 0 | 114.2 | D325 | D325-K327 WeakPolarHBondContact OD1-CG 3.41Å; D325-K327 PolarHBondContact OD1-N 3Å; D325-K327 VanDerWaalsContact OD2-CE 3.32Å; D325-K327 WeakPolarHBondContact OD2-CE 3.43Å; D325-K327 WeakPolarHBondContact OD2-CG 3.28Å; D325-K327 IonicContact OD2-NZ 2.6Å; D325-K327 PolarHBondContact OD2-NZ 2.76Å | ||
| 328 | R | 41 | Very low | 49.4 | Very low | 216 Ų | 216 | 149 Ų | 149 | 82% | 0.815 | 79% | 0.79 | S | S | * | * | trans | 89.6 | 99.3 | 138.3 | -164.5 | 178.4 | -172.9 | 153.7 | -0.8 | 119.1 | ||||
| 329 | W | 46.2 | Very low | 48.8 | Very low | 262 Ų | 262 | 146 Ų | 146 | 99% | 0.992 | 80% | 0.796 | S | S | * | * | -130 | 153.1 | 118.3 | -140 | -80.1 | 0 | 0 | 0 | 110.2 | |||||
| 330 | K | 47.7 | Very low | 48.4 | Very low | 143 Ų | 143 | 146.1 Ų | 146.1 | 62% | 0.622 | 80% | 0.798 | S | S | * | * | trans | -122.5 | 139.5 | -158 | 160.6 | 174.7 | 165.9 | 150.1 | 0 | 110.5 | ||||
| 331 | Q | 42 | Very low | 47.9 | Very low | 117 Ų | 117 | 143.7 Ų | 143.7 | 55% | 0.547 | 80% | 0.8 | S | S | . | * | trans | 39.6 | 130.3 | 139.2 | -154.8 | 162.9 | 13.4 | 0 | 0 | 117.5 | D333 | Q331-D333 WeakPolarHBondContact CG-OD1 3.47Å; Q331-D333 VanDerWaalsContact CG-OD2 3.29Å; Q331-D333 WeakPolarHBondContact CG-OD2 3.24Å; Q331-D333 PolarHBondContact NE2-OD2 3.14Å | ||
| 332 | E | 49.9 | Very low | 46.9 | Very low | 185 Ų | 185 | 143.5 Ų | 143.5 | 86% | 0.864 | 80% | 0.799 | S | S | * | * | -152.6 | 103.5 | 82.4 | -149.4 | 161.9 | 121.9 | 0 | 0 | 113.9 | |||||
| 333 | D | 48.3 | Very low | 46.1 | Very low | 125 Ų | 125 | 140.1 Ų | 140.1 | 67% | 0.668 | 80% | 0.802 | S | S | * | * | trans | 33.6 | 111.7 | 132 | -48.8 | -26.2 | 0 | 0 | 0 | 120.1 | Q331 | Q331-D333 WeakPolarHBondContact CG-OD1 3.47Å; Q331-D333 VanDerWaalsContact CG-OD2 3.29Å; Q331-D333 WeakPolarHBondContact CG-OD2 3.24Å; Q331-D333 PolarHBondContact NE2-OD2 3.14Å | ||
| 334 | G | 51 | Low | 45 | Very low | 78 Ų | 78 | 134.6 Ų | 134.6 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | trans | -152.4 | 102.9 | 163 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 335 | E | 46.8 | Very low | 44.1 | Very low | 194 Ų | 194 | 133.3 Ų | 133.3 | 91% | 0.907 | 80% | 0.802 | S | S | * | * | trans | -68.5 | 125.9 | -164.8 | 63.9 | -148.6 | 112 | 0 | 0 | 115.1 | ||||
| 336 | N | 47 | Very low | 44.7 | Very low | 161 Ų | 161 | 136.8 Ų | 136.8 | 86% | 0.861 | 81% | 0.811 | S | S | * | * | trans | -157.4 | 122.3 | 148.6 | -168.5 | 14.2 | 0 | 0 | 0 | 109.8 | ||||
| 337 | E | 46.9 | Very low | 44.5 | Very low | 188 Ų | 188 | 136.7 Ų | 136.7 | 88% | 0.879 | 80% | 0.802 | S | S | * | * | trans | -88.3 | 142.7 | -167 | -48.6 | -171.6 | 128.1 | 0 | 0 | 111.7 | ||||
| 338 | G | 39.6 | Very low | 44.2 | Very low | 79 Ų | 79 | 135.8 Ų | 135.8 | 81% | 0.814 | 81% | 0.811 | S | S | * | * | trans | 162.6 | 39.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 118.4 | S340 | G338-S340 PolarHBondContact O-N 2.64Š| ||
| 339 | S | 38.1 | Very low | 45.2 | Very low | 120 Ų | 120 | 134.4 Ų | 134.4 | 84% | 0.839 | 81% | 0.805 | S | S | * | * | trans | -67.1 | 123.3 | 169.3 | -64.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 340 | S | 41.7 | Very low | 45.8 | Very low | 123 Ų | 123 | 127.5 Ų | 127.5 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | trans | -179.6 | 148.3 | 139 | -86.2 | 0 | 0 | 0 | 0 | 113.5 | G338 | G338-S340 PolarHBondContact O-N 2.64Š| ||
| 341 | A | 37.6 | Very low | 46.8 | Very low | 113 Ų | 113 | 125.8 Ų | 125.8 | 93% | 0.934 | 79% | 0.788 | S | S | * | * | trans | -72.7 | 137.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 342 | G | 35.1 | Very low | 48.7 | Very low | 74 Ų | 74 | 126.5 Ų | 126.5 | 76% | 0.763 | 79% | 0.785 | S | S | * | * | trans | -178 | 123.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | G344 | G342-G344 PolarHBondContact O-N 2.95Å; G342-G344 VanDerWaalsContact O-N 3.09Å | ||
| 343 | G | 33.8 | Very low | 50.4 | Low | 91 Ų | 91 | 122.6 Ų | 122.6 | 94% | 0.938 | 77% | 0.77 | S | S | * | * | trans | -74.3 | 95.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 344 | G | 40.4 | Very low | 52.4 | Low | 72 Ų | 72 | 119.6 Ų | 119.6 | 74% | 0.742 | 76% | 0.756 | S | S | * | * | trans | -82.3 | 112.4 | 174 | 0 | 0 | 0 | 0 | 0 | 113.5 | G342 K346 | G342-G344 PolarHBondContact O-N 2.95Å; G342-G344 VanDerWaalsContact O-N 3.09Å; G344-K346 PolarHBondContact O-N 2.83Å | ||
| 345 | G | 41.2 | Very low | 54.2 | Low | 79 Ų | 79 | 118.4 Ų | 118.4 | 81% | 0.814 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 121.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 346 | K | 56 | Low | 56.4 | Low | 178 Ų | 178 | 113.1 Ų | 113.1 | 77% | 0.774 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 134 | 172 | -67.3 | 176.5 | 179.2 | 175.2 | 0 | 109.3 | G344 V348 | G344-K346 PolarHBondContact O-N 2.83Å; K346-V348 PolarHBondContact O-N 2.91Å |
| 347 | P | 50.9 | Low | 58.5 | Low | 104 Ų | 104 | 107.5 Ų | 107.5 | 68% | 0.675 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 134.3 | 174.6 | 24 | -33.5 | 0 | 0 | 0 | 109.9 | R349 | P347-R349 PolarHBondContact O-N 3.41Š|
| 348 | V | 47.9 | Very low | 60.6 | Low | 150 Ų | 150 | 102.1 Ų | 102.1 | 91% | 0.909 | 66% | 0.656 | S | S | * | * | trans | -63 | 106.8 | 179.4 | 175.5 | 0 | 0 | 0 | 0 | 108.1 | K346 | K346-V348 PolarHBondContact O-N 2.91Š| ||
| 349 | R | 60.8 | Low | 63 | Low | 186 Ų | 186 | 99.1 Ų | 99.1 | 70% | 0.702 | 62% | 0.622 | S | S | * | * | trans | -72.2 | 151.8 | 176.3 | -68.9 | -176.8 | 169 | 88.9 | -2.9 | 109.7 | P347 | P347-R349 PolarHBondContact O-N 3.41Š| ||
| 350 | E | 59.7 | Low | 65.6 | Low | 118 Ų | 118 | 98.4 Ų | 98.4 | 55% | 0.551 | 61% | 0.609 | S | S | * | * | trans | -43.7 | 144.7 | 179.8 | -170.3 | 178.1 | 170.6 | 0 | 0 | 113 | R352 G417 | E350-R352 WeakPolarHBondContact O-CG 3.48Å; E350-R352 PolarHBondContact O-N 3.49Å; E350-G417 WeakPolarHBondContact OE1-CA 3.46Å; E350-G417 PolarHBondContact OE1-N 2.78Å | ||
| 351 | P | 69.2 | Low | 67.9 | Low | 107 Ų | 107 | 98 Ų | 98 | 70% | 0.695 | 60% | 0.596 | S | S | * | * | trans | -57.9 | 112.9 | 176 | -24.6 | 34.9 | 0 | 0 | 0 | 111.9 | ||||
| 352 | R | 80 | Confident | 70.5 | Confident | 132 Ų | 132 | 95.5 Ų | 95.5 | 50% | 0.498 | 57% | 0.567 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -112.2 | 125.4 | 177.6 | -65.6 | 167.1 | 104.2 | -154.8 | 8.2 | 109.6 | E350 H400 T414 Y415 E416 | E350-R352 WeakPolarHBondContact O-CG 3.48Å; E350-R352 PolarHBondContact O-N 3.49Å; R352-H400 PolarHBondContact NH2-NE2 3.45Å; R352-T414 HydrophobicContact CB-CG2 4.19Å; R352-Y415 VanDerWaalsContact CA-O 3.29Å; R352-Y415 WeakPolarHBondContact CA-O 3.35Å; R352-E416 HydrophobicContact CG-CG 4.24Å; R352-E416 IonicContact CZ-OE1 2.68Å; R352-E416 IonicContact NE-OE1 3.03Å; R352-E416 PolarHBondContact NE-OE1 3.01Å; R352-E416 IonicContact NH2-OE1 2.65Å; R352-E416 PolarHBondContact NH2-OE1 3.42Å |
| 353 | L | 86 | Confident | 73.1 | Confident | 102 Ų | 102 | 97.1 Ų | 97.1 | 53% | 0.534 | 56% | 0.557 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -92.4 | 119.6 | 174.4 | 169.8 | 64 | 0 | 0 | 0 | 108.7 | V355 T414 Y415 | L353-V355 HydrophobicContact CD1-CG2 4.32Å; L353-V355 HydrophobicContact CD2-CG2 4.35Å; L353-V355 HydrophobicContact CG-CG2 4.07Å; L353-T414 CarbonylContact O-C 3.57Å; L353-T414 WeakPolarHBondContact O-CA 3.26Å; L353-Y415 HydrophobicContact CD2-CD2 4.29Å; L353-Y415 HydrophobicContact CG-CD2 4.3Å; L353-Y415 PolarHBondContact N-O 2.91Å; L353-Y415 PolarHBondContact O-N 2.82Å |
| 354 | V | 90.6 | Very high | 75.8 | Confident | 63 Ų | 63 | 95.6 Ų | 95.6 | 38% | 0.382 | 53% | 0.527 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 122.8 | 175.4 | -173 | 0 | 0 | 0 | 0 | 109.1 | I412 T414 | V354-I412 HydrophobicContact CG1-CG2 3.73Å; V354-T414 HydrophobicContact CG2-CG2 4Å |
| 355 | V | 89.8 | Confident | 78.1 | Confident | 53 Ų | 53 | 99.2 Ų | 99.2 | 32% | 0.321 | 53% | 0.529 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 122.7 | 176.4 | -177.2 | 0 | 0 | 0 | 0 | 107.8 | L353 T413 Y415 | L353-V355 HydrophobicContact CD1-CG2 4.32Å; L353-V355 HydrophobicContact CD2-CG2 4.35Å; L353-V355 HydrophobicContact CG-CG2 4.07Å; V355-T413 PolarHBondContact N-O 3.12Å; V355-T413 PolarHBondContact O-N 2.88Å; V355-Y415 HydrophobicContact CB-CE2 4.45Å; V355-Y415 HydrophobicContact CG2-CD2 4.39Å; V355-Y415 HydrophobicContact CG2-CE2 3.98Å |
| 356 | Q | 92.4 | Very high | 80.5 | Confident | 82 Ų | 82 | 97.7 Ų | 97.7 | 38% | 0.383 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 121.5 | 169.8 | -178.3 | 176 | -15.1 | 0 | 0 | 108.1 | A410 V411 I412 | Q356-A410 HydrophobicContact CG-CB 4.41Å; Q356-V411 WeakPolarHBondContact CA-O 3.49Å; Q356-I412 HydrophobicContact CG-CG1 4.23Å |
| 357 | T | 91.6 | Very high | 82.3 | Confident | 43 Ų | 43 | 90.6 Ų | 90.6 | 26% | 0.264 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 141.2 | 178.2 | -54 | 0 | 0 | 0 | 0 | 109.4 | S359 L364 V411 | T357-S359 PolarHBondContact O-N 2.88Å; T357-L364 HydrophobicContact CG2-CD1 3.65Å; T357-V411 PolarHBondContact N-O 2.83Å; T357-V411 PolarHBondContact O-N 3.36Å |
| 358 | M | 90.5 | Very high | 84.4 | Confident | 76 Ų | 76 | 87.8 Ų | 87.8 | 37% | 0.374 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 96.5 | 170.7 | -61.8 | -53.6 | -64.9 | 0 | 0 | 108.9 | D407 R409 A410 | M358-D407 VanDerWaalsContact CE-OD2 3.28Å; M358-D407 WeakPolarHBondContact CE-OD2 3.45Å; M358-R409 CarbonylContact C-O 3.56Å; M358-R409 WeakPolarHBondContact CA-O 3.38Å; M358-R409 HydrophobicContact CE-CB 3.77Å; M358-A410 HydrophobicContact SD-CB 4.06Å |
| 359 | S | 90.3 | Very high | 86.6 | Confident | 16 Ų | 16 | 86.4 Ų | 86.4 | 11% | 0.112 | 44% | 0.435 | C | S | . | . | trans | -147.8 | 141 | -177.9 | 57.2 | 0 | 0 | 0 | 0 | 112.9 | T357 I361 R403 R409 V411 | T357-S359 PolarHBondContact O-N 2.88Å; S359-I361 PolarHBondContact O-N 3.48Å; S359-I361 PolarHBondContact OG-O 3.11Å; S359-R403 PolarHBondContact O-NH1 3.38Å; S359-R409 PolarHBondContact N-O 2.84Å; S359-R409 VanDerWaalsContact O-O 3.14Å; S359-V411 WeakPolarHBondContact O-CG2 3.4Å | ||
| 360 | D | 91.5 | Very high | 88.4 | Confident | 104 Ų | 104 | 79.8 Ų | 79.8 | 56% | 0.556 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -75.6 | -16 | 175.1 | -52.5 | -49.8 | 0 | 0 | 0 | 111 | R403 R409 | D360-R403 PolarHBondContact O-NH2 3.16Å; D360-R409 WeakPolarHBondContact OD1-CG 3.39Å; D360-R409 IonicContact OD1-CZ 2.74Å; D360-R409 IonicContact OD1-NE 3.11Å; D360-R409 PolarHBondContact OD1-NE 2.85Å; D360-R409 IonicContact OD1-NH2 3.21Å; D360-R409 PolarHBondContact OD1-NH2 3.43Å; D360-R409 IonicContact OD2-CZ 3.1Å; D360-R409 IonicContact OD2-NE 3.07Å; D360-R409 IonicContact OD2-NH2 3.34Å; D360-R409 PolarHBondContact OD2-NH2 2.88Å |
| 361 | I | 91.4 | Very high | 90.2 | Very high | 116 Ų | 116 | 80.7 Ų | 80.7 | 60% | 0.595 | 41% | 0.409 | S | S | * | . | trans | -98.2 | 130.4 | 174.4 | -54.8 | 171.1 | 0 | 0 | 0 | 110.3 | S359 I363 | S359-I361 PolarHBondContact O-N 3.48Å; S359-I361 PolarHBondContact OG-O 3.11Å; I361-I363 WeakPolarHBondContact CG2-O 3.45Å | ||
| 362 | D | 90.7 | Very high | 91.5 | Very high | 60 Ų | 60 | 80.3 Ų | 80.3 | 32% | 0.321 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -75.6 | -37.6 | 177.2 | -71.9 | -71.2 | 0 | 0 | 0 | 113.6 | V401 R403 V411 | D362-V401 HydrophobicContact CB-CG1 4.4Å; D362-V401 WeakPolarHBondContact O-CG1 3.2Å; D362-R403 IonicContact OD1-CZ 3.49Å; D362-R403 IonicContact OD1-NE 2.78Å; D362-R403 PolarHBondContact OD1-NE 2.96Å; D362-R403 VanDerWaalsContact OD1-NE 3.07Å; D362-R403 IonicContact OD1-NH2 3.7Å; D362-R403 PolarHBondContact OD1-NH2 2.83Å; D362-R403 IonicContact OD2-CZ 3.75Å; D362-R403 IonicContact OD2-NE 2.91Å; D362-R403 PolarHBondContact OD2-NE 3.32Å; D362-R403 IonicContact OD2-NH2 3.58Å; D362-R403 PolarHBondContact OD2-NH2 2.85Å; D362-V411 WeakPolarHBondContact O-CG1 3.32Å |
| 363 | I | 91.2 | Very high | 92.4 | Very high | 108 Ų | 108 | 79.1 Ų | 79.1 | 55% | 0.554 | 39% | 0.393 | S | S | * | . | trans | -99.3 | 99 | -175 | -52.4 | 179 | 0 | 0 | 0 | 108.8 | I361 Y388 | I361-I363 WeakPolarHBondContact CG2-O 3.45Å; I363-Y388 HydrophobicContact CD1-CE1 4.48Å; I363-Y388 VanDerWaalsContact CD1-OH 3.3Å; I363-Y388 WeakPolarHBondContact CD1-OH 3.11Å | ||
| 364 | L | 89.2 | Confident | 92.9 | Very high | 58 Ų | 58 | 75.7 Ų | 75.7 | 30% | 0.304 | 38% | 0.381 | S | S | . | . | trans | -86.6 | 141.4 | 173.6 | -58.9 | 173.3 | 0 | 0 | 0 | 110.7 | T357 | T357-L364 HydrophobicContact CG2-CD1 3.65Š| ||
| 365 | D | 90.3 | Very high | 93.3 | Very high | 149 Ų | 149 | 78 Ų | 78 | 80% | 0.797 | 39% | 0.388 | S | S | * | . | trans | -77 | 119.4 | 168.8 | -170.5 | 5.9 | 0 | 0 | 0 | 109.6 | G367 | D365-G367 PolarHBondContact OD1-N 3.02Š| ||
| 366 | D | 90.4 | Very high | 93.7 | Very high | 46 Ų | 46 | 81.7 Ų | 81.7 | 25% | 0.246 | 40% | 0.4 | C | S | . | . | trans | -111.9 | 12.4 | 176.3 | 59.8 | 12.6 | 0 | 0 | 0 | 111.6 | F368 W370 K399 Y415 | D366-F368 PolarHBondContact O-N 3.02Å; D366-F368 WeakPolarHBondContact OD1-CA 3.45Å; D366-F368 WeakPolarHBondContact OD1-CB 3.44Å; D366-F368 PolarHBondContact OD1-N 3.5Å; D366-W370 VanDerWaalsContact CG-NE1 3.28Å; D366-W370 PolarHBondContact OD1-NE1 2.89Å; D366-W370 WeakPolarHBondContact OD2-CZ2 3.37Å; D366-W370 PolarHBondContact OD2-NE1 3.19Å; D366-K399 IonicContact OD2-NZ 2.65Å; D366-K399 PolarHBondContact OD2-NZ 3.17Å; D366-Y415 WeakPolarHBondContact OD2-CE1 3.43Å; D366-Y415 PolarHBondContact OD2-OH 2.9Å | ||
| 367 | G | 93 | Very high | 93.9 | Very high | 29 Ų | 29 | 83.3 Ų | 83.3 | 30% | 0.299 | 42% | 0.415 | S | S | . | . | S | Bend | trans | 76.4 | -17.1 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114 | D365 V423 | D365-G367 PolarHBondContact OD1-N 3.02Å; G367-V423 WeakPolarHBondContact O-CG1 3.29Å |
| 368 | F | 95.2 | Very high | 93.9 | Very high | 45 Ų | 45 | 82.9 Ų | 82.9 | 20% | 0.197 | 41% | 0.412 | C | S | . | . | S | Bend | trans | -84.1 | 143.5 | 175.9 | -65.8 | -71.7 | 0 | 0 | 0 | 110.9 | D366 W370 H419 H421 V423 | D366-F368 PolarHBondContact O-N 3.02Å; D366-F368 WeakPolarHBondContact OD1-CA 3.45Å; D366-F368 WeakPolarHBondContact OD1-CB 3.44Å; D366-F368 PolarHBondContact OD1-N 3.5Å; F368-W370 HydrophobicContact CB-CZ2 3.7Å; F368-W370 HydrophobicContact CD2-CZ2 4.44Å; F368-W370 HydrophobicContact CG-CZ2 4.34Å; F368-W370 PolarHBondContact O-NE1 2.95Å; F368-W370 VanDerWaalsContact O-NE1 3.14Å; F368-H419 AromaticContact CD1-CE1 3.44Å; F368-H419 VanDerWaalsContact CD1-CE1 3.44Å; F368-H419 WeakPolarHBondContact CD1-CE1 3.48Å; F368-H419 AromaticContact CD1-CG 3.94Å; F368-H419 AromaticContact CD1-ND1 3.57Å; F368-H419 AromaticContact CD1-NE2 3.76Å; F368-H419 AromaticContact CD2-NE2 3.66Å; F368-H419 HydrophobicContact CE1-CB 4.05Å; F368-H419 AromaticContact CE1-CD2 3.64Å; F368-H419 AromaticContact CE1-CE1 3.81Å; F368-H419 AromaticContact CE1-CG 3.49Å; F368-H419 VanDerWaalsContact CE1-CG 3.49Å; F368-H419 AromaticContact CE1-ND1 3.6Å; F368-H419 AromaticContact CE1-NE2 3.87Å; F368-H419 AromaticContact CE2-CD2 3.75Å; F368-H419 AromaticContact CE2-NE2 3.79Å; F368-H419 AromaticContact CG-CE1 3.58Å; F368-H419 AromaticContact CG-NE2 3.63Å; F368-H419 HydrophobicContact CZ-CB 4.31Å; F368-H419 AromaticContact CZ-CD2 3.48Å; F368-H419 VanDerWaalsContact CZ-CD2 3.48Å; F368-H419 WeakPolarHBondContact CZ-CD2 3.49Å; F368-H419 AromaticContact CZ-CG 3.77Å; F368-H419 AromaticContact CZ-NE2 3.88Å; F368-H421 AromaticContact CD1-CE1 3.77Å; F368-H421 AromaticContact CE1-CE1 3.96Å; F368-V423 HydrophobicContact CE1-CB 4.46Å; F368-V423 HydrophobicContact CE1-CG2 3.94Å; F368-V423 HydrophobicContact CE2-CG2 4.3Å; F368-V423 HydrophobicContact CZ-CG2 3.75Å |
| 369 | R | 95.6 | Very high | 94 | Very high | 121 Ų | 121 | 89.4 Ų | 89.4 | 46% | 0.457 | 44% | 0.438 | S | S | . | . | trans | -87.7 | 123.2 | 177.1 | -67.1 | 178.7 | 67 | -156.5 | 1.6 | 109.7 | T391 P424 | R369-T391 HydrophobicContact CB-CG2 4.3Å; R369-T391 WeakPolarHBondContact CB-OG1 3.27Å; R369-T391 WeakPolarHBondContact O-CG2 3.31Å; R369-T391 PolarHBondContact O-N 2.78Å; R369-T391 PolarHBondContact O-OG1 3.4Å; R369-T391 VanDerWaalsContact O-OG1 3.13Å; R369-P424 HydrophobicContact CG-CB 4.44Å; R369-P424 HydrophobicContact CG-CG 4.47Å | ||
| 370 | W | 97.2 | Very high | 94 | Very high | 47 Ų | 47 | 92 Ų | 92 | 18% | 0.178 | 47% | 0.467 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 147.6 | -176.1 | -58.7 | 95.9 | 0 | 0 | 0 | 112.5 | D366 F368 Y388 C390 T391 V397 K399 Y415 H419 | D366-W370 VanDerWaalsContact CG-NE1 3.28Å; D366-W370 PolarHBondContact OD1-NE1 2.89Å; D366-W370 WeakPolarHBondContact OD2-CZ2 3.37Å; D366-W370 PolarHBondContact OD2-NE1 3.19Å; F368-W370 HydrophobicContact CB-CZ2 3.7Å; F368-W370 HydrophobicContact CD2-CZ2 4.44Å; F368-W370 HydrophobicContact CG-CZ2 4.34Å; F368-W370 PolarHBondContact O-NE1 2.95Å; F368-W370 VanDerWaalsContact O-NE1 3.14Å; W370-Y388 HydrophobicContact CB-CD1 4.22Å; W370-C390 HydrophobicContact CZ3-CB 4.27Å; W370-T391 VanDerWaalsContact C-CG2 3.45Å; W370-V397 HydrophobicContact CH2-CG1 3.62Å; W370-V397 HydrophobicContact CZ3-CG1 3.98Å; W370-K399 HydrophobicContact CD2-CD 3.86Å; W370-K399 VanDerWaalsContact CD2-CE 3.5Å; W370-K399 HydrophobicContact CD2-CG 4.21Å; W370-K399 VanDerWaalsContact CE2-CE 3.42Å; W370-K399 HydrophobicContact CE3-CD 3.95Å; W370-K399 HydrophobicContact CE3-CG 3.82Å; W370-K399 HydrophobicContact CH2-CB 4.36Å; W370-K399 HydrophobicContact CH2-CD 3.79Å; W370-K399 HydrophobicContact CH2-CG 4.09Å; W370-K399 HydrophobicContact CZ2-CD 3.69Å; W370-K399 HydrophobicContact CZ2-CG 4.45Å; W370-K399 HydrophobicContact CZ3-CB 4.18Å; W370-K399 HydrophobicContact CZ3-CD 3.91Å; W370-K399 HydrophobicContact CZ3-CG 3.75Å; W370-K399 VanDerWaalsContact NE1-NZ 3.18Å; W370-Y415 AromaticContact CH2-CD1 3.99Å; W370-Y415 HydrophobicContact CH2-CD1 3.99Å; W370-Y415 HydrophobicContact CH2-CE1 4.12Å; W370-Y415 HydrophobicContact CZ2-CD1 4.19Å; W370-Y415 AromaticContact CZ2-CE1 3.85Å; W370-Y415 HydrophobicContact CZ2-CE1 3.85Å; W370-H419 AromaticContact CH2-CE1 3.9Å; W370-H419 AromaticContact CH2-NE2 3.78Å; W370-H419 AromaticContact CZ2-NE2 3.96Å |
| 371 | R | 97.2 | Very high | 94 | Very high | 137 Ų | 137 | 87.8 Ų | 87.8 | 52% | 0.517 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 124 | 165.4 | -86.9 | 165.4 | -166.4 | 134.2 | -0.9 | 109.4 | Y388 K389 T391 | R371-Y388 WeakPolarHBondContact O-CA 3.49Å; R371-K389 PolarHBondContact N-O 3.28Å; R371-K389 PolarHBondContact O-N 3.4Å; R371-T391 HydrophobicContact CB-CG2 3.95Å; R371-T391 HydrophobicContact CG-CG2 3.49Å; R371-T391 VanDerWaalsContact CG-CG2 3.49Å; R371-T391 PolarHBondContact NH1-O 3.32Å |
| 372 | K | 98 | Very high | 94 | Very high | 99 Ų | 99 | 87.7 Ų | 87.7 | 43% | 0.43 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 136.4 | 170.1 | -167.2 | 168.4 | 176.1 | 168.8 | 0 | 108.8 | S386 Y387 Y388 | K372-S386 WeakPolarHBondContact CE-OG 3.4Å; K372-S386 PolarHBondContact NZ-OG 2.9Å; K372-Y387 CarbonylContact C-O 3.55Å; K372-Y387 WeakPolarHBondContact CA-O 3.42Å; K372-Y388 HydrophobicContact CB-CD1 3.86Å; K372-Y388 HydrophobicContact CB-CE1 3.73Å; K372-Y388 HydrophobicContact CD-CE1 4.21Å; K372-Y388 HydrophobicContact CG-CD1 4.38Å; K372-Y388 HydrophobicContact CG-CE1 4.05Å |
| 373 | Y | 97.8 | Very high | 94 | Very high | 108 Ų | 108 | 86.8 Ų | 86.8 | 42% | 0.424 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | -7.8 | 177.5 | 70.6 | -98.2 | 0 | 0 | 0 | 113.4 | Y387 Y388 K389 | Y373-Y387 PolarHBondContact N-O 2.92Å; Y373-Y388 VanDerWaalsContact CE1-C 3.41Å; Y373-Y388 WeakPolarHBondContact CE1-O 3.48Å; Y373-K389 HydrophobicContact CD1-CB 3.96Å; Y373-K389 HydrophobicContact CD1-CG 4.07Å; Y373-K389 HydrophobicContact CE1-CB 4.22Å |
| 374 | G | 97.7 | Very high | 94.2 | Very high | 29 Ų | 29 | 84.1 Ų | 84.1 | 30% | 0.299 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.3 | 168.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y387 | G374-Y387 PolarHBondContact N-O 3.45Å; G374-Y387 PolarHBondContact O-N 2.98Å |
| 375 | Q | 98.2 | Very high | 94.6 | Very high | 111 Ų | 111 | 84.2 Ų | 84.2 | 52% | 0.519 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 138.9 | 173.7 | -178.8 | 171.1 | -59.5 | 0 | 0 | 108 | P384 R385 | Q375-P384 HydrophobicContact CG-CB 3.69Å; Q375-P384 HydrophobicContact CG-CG 4.24Å; Q375-R385 CarbonylContact C-O 3.55Å; Q375-R385 WeakPolarHBondContact CA-O 3.33Å |
| 376 | K | 97.6 | Very high | 94.9 | Very high | 132 Ų | 132 | 77.8 Ų | 77.8 | 57% | 0.574 | 40% | 0.4 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 124.8 | 177.7 | -171.2 | 171.8 | -177.9 | 172.3 | 0 | 109.7 | V378 R385 Y387 | K376-V378 PolarHBondContact O-N 2.74Å; K376-R385 PolarHBondContact N-O 3.47Å; K376-R385 PolarHBondContact O-N 2.83Å; K376-Y387 HydrophobicContact CB-CE2 3.85Å |
| 377 | V | 96.3 | Very high | 95.3 | Very high | 116 Ų | 116 | 78 Ų | 78 | 70% | 0.703 | 40% | 0.398 | S | S | * | . | P | Polyproline II helix | trans | -65.1 | 129.9 | 167.6 | -179.1 | 0 | 0 | 0 | 0 | 108.1 | ||
| 378 | V | 93.2 | Very high | 95.6 | Very high | 33 Ų | 33 | 77.4 Ų | 77.4 | 20% | 0.2 | 39% | 0.387 | C | S | . | . | P | Polyproline II helix | trans | -100.6 | 122.1 | -177.3 | 174.4 | 0 | 0 | 0 | 0 | 108.8 | K376 G380 N381 R385 | K376-V378 PolarHBondContact O-N 2.74Å; V378-G380 PolarHBondContact O-N 3.43Å; V378-N381 HydrophobicContact CB-CB 4Å; V378-N381 HydrophobicContact CG1-CB 4Å; V378-N381 PolarHBondContact O-N 2.88Å; V378-N381 VanDerWaalsContact O-O 3.08Å; V378-R385 HydrophobicContact CG2-CB 3.65Å |
| 379 | K | 92.9 | Very high | 95.7 | Very high | 213 Ų | 213 | 80 Ų | 80 | 93% | 0.926 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | 123.8 | 178.3 | -175.7 | 75.1 | 174.5 | -178 | 0 | 109.5 | ||
| 380 | G | 90.4 | Very high | 95.8 | Very high | 70 Ų | 70 | 74.6 Ų | 74.6 | 72% | 0.722 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.4 | 6.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | V378 S405 | V378-G380 PolarHBondContact O-N 3.43Å; G380-S405 WeakPolarHBondContact O-CB 3.46Å |
| 381 | N | 89.8 | Confident | 95.8 | Very high | 17 Ų | 17 | 73.5 Ų | 73.5 | 9% | 0.091 | 38% | 0.377 | C | S | . | . | trans | -125.3 | 123.4 | 172.8 | -170.2 | -12.2 | 0 | 0 | 0 | 109.5 | V378 N383 R403 | V378-N381 HydrophobicContact CB-CB 4Å; V378-N381 HydrophobicContact CG1-CB 4Å; V378-N381 PolarHBondContact O-N 2.88Å; V378-N381 VanDerWaalsContact O-O 3.08Å; N381-N383 PolarHBondContact O-N 3.49Å; N381-N383 PolarHBondContact OD1-N 2.8Å; N381-N383 PolarHBondContact OD1-ND2 2.84Å; N381-R403 PolarHBondContact ND2-O 2.89Å | ||
| 382 | P | 91.8 | Very high | 95.7 | Very high | 113 Ų | 113 | 69.1 Ų | 69.1 | 73% | 0.734 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -64.2 | -21.7 | 175.9 | 26.4 | -34.6 | 0 | 0 | 0 | 112.7 | ||
| 383 | N | 90.8 | Very high | 95.6 | Very high | 42 Ų | 42 | 69 Ų | 69 | 23% | 0.225 | 38% | 0.383 | C | S | . | . | S | Bend | trans | -92.9 | 133.9 | -179.4 | -54.5 | -73.1 | 0 | 0 | 0 | 111.4 | N381 R403 | N381-N383 PolarHBondContact O-N 3.49Å; N381-N383 PolarHBondContact OD1-N 2.8Å; N381-N383 PolarHBondContact OD1-ND2 2.84Å; N383-R403 HydrophobicContact CB-CB 3.86Å |
| 384 | P | 95.6 | Very high | 95.5 | Very high | 51 Ų | 51 | 67.2 Ų | 67.2 | 33% | 0.331 | 40% | 0.397 | S | S | . | . | P | Polyproline II helix | trans | -79.4 | 141.6 | 177 | 33 | -34.9 | 0 | 0 | 0 | 112 | Q375 S386 | Q375-P384 HydrophobicContact CG-CB 3.69Å; Q375-P384 HydrophobicContact CG-CG 4.24Å; P384-S386 PolarHBondContact O-N 2.93Å |
| 385 | R | 96.9 | Very high | 95.5 | Very high | 61 Ų | 61 | 66.8 Ų | 66.8 | 23% | 0.23 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 121.3 | 172.6 | -178.3 | -176 | -66.1 | 167.6 | -5.9 | 110.1 | Q375 K376 V378 Y387 H400 V401 E402 | Q375-R385 CarbonylContact C-O 3.55Å; Q375-R385 WeakPolarHBondContact CA-O 3.33Å; K376-R385 PolarHBondContact N-O 3.47Å; K376-R385 PolarHBondContact O-N 2.83Å; V378-R385 HydrophobicContact CG2-CB 3.65Å; R385-Y387 HydrophobicContact CB-CE2 4.31Å; R385-Y387 WeakPolarHBondContact CD-OH 3.32Å; R385-Y387 HydrophobicContact CG-CD2 4.44Å; R385-Y387 HydrophobicContact CG-CE2 3.86Å; R385-H400 HydrophobicContact CG-CB 4.13Å; R385-V401 CarbonylContact C-O 3.56Å; R385-V401 WeakPolarHBondContact CA-O 3.47Å; R385-E402 HydrophobicContact CB-CB 4.13Å; R385-E402 HydrophobicContact CG-CB 4.13Å; R385-E402 IonicContact CZ-OE1 3.74Å; R385-E402 IonicContact CZ-OE2 3.11Å; R385-E402 IonicContact NE-OE1 3.73Å; R385-E402 IonicContact NE-OE2 2.76Å; R385-E402 PolarHBondContact NE-OE2 2.7Å; R385-E402 IonicContact NH2-OE1 2.64Å; R385-E402 PolarHBondContact NH2-OE1 2.95Å; R385-E402 IonicContact NH2-OE2 3.19Å; R385-E402 PolarHBondContact NH2-OE2 3.42Å |
| 386 | S | 97.8 | Very high | 95.4 | Very high | 14 Ų | 14 | 65.1 Ų | 65.1 | 10% | 0.098 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 141 | 177.4 | -71.1 | 0 | 0 | 0 | 0 | 111.5 | K372 P384 Y388 H400 V401 | K372-S386 WeakPolarHBondContact CE-OG 3.4Å; K372-S386 PolarHBondContact NZ-OG 2.9Å; P384-S386 PolarHBondContact O-N 2.93Å; S386-Y388 VanDerWaalsContact CB-CE2 3.48Å; S386-H400 CarbonylContact O-C 3.55Å; S386-H400 VanDerWaalsContact O-CA 3.24Å; S386-H400 WeakPolarHBondContact O-CA 3.12Å; S386-V401 PolarHBondContact N-O 3Å; S386-V401 PolarHBondContact O-N 2.91Å |
| 387 | Y | 98.3 | Very high | 95.4 | Very high | 51 Ų | 51 | 59 Ų | 59 | 20% | 0.2 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 131.2 | -176.2 | -69.7 | -99.7 | 0 | 0 | 0 | 111.5 | K372 Y373 G374 K376 R385 H400 | K372-Y387 CarbonylContact C-O 3.55Å; K372-Y387 WeakPolarHBondContact CA-O 3.42Å; Y373-Y387 PolarHBondContact N-O 2.92Å; G374-Y387 PolarHBondContact N-O 3.45Å; G374-Y387 PolarHBondContact O-N 2.98Å; K376-Y387 HydrophobicContact CB-CE2 3.85Å; R385-Y387 HydrophobicContact CB-CE2 4.31Å; R385-Y387 WeakPolarHBondContact CD-OH 3.32Å; R385-Y387 HydrophobicContact CG-CD2 4.44Å; R385-Y387 HydrophobicContact CG-CE2 3.86Å; Y387-H400 HydrophobicContact CD1-CB 3.71Å; Y387-H400 HydrophobicContact CE1-CB 3.87Å; Y387-H400 HydrophobicContact CG-CB 4.2Å |
| 388 | Y | 98.4 | Very high | 95.4 | Very high | 16 Ų | 16 | 60 Ų | 60 | 6% | 0.063 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 143 | -172.1 | -57.9 | -93.2 | 0 | 0 | 0 | 111.6 | I363 W370 R371 K372 Y373 S386 R398 K399 V401 | I363-Y388 HydrophobicContact CD1-CE1 4.48Å; I363-Y388 VanDerWaalsContact CD1-OH 3.3Å; I363-Y388 WeakPolarHBondContact CD1-OH 3.11Å; W370-Y388 HydrophobicContact CB-CD1 4.22Å; R371-Y388 WeakPolarHBondContact O-CA 3.49Å; K372-Y388 HydrophobicContact CB-CD1 3.86Å; K372-Y388 HydrophobicContact CB-CE1 3.73Å; K372-Y388 HydrophobicContact CD-CE1 4.21Å; K372-Y388 HydrophobicContact CG-CD1 4.38Å; K372-Y388 HydrophobicContact CG-CE1 4.05Å; Y373-Y388 VanDerWaalsContact CE1-C 3.41Å; Y373-Y388 WeakPolarHBondContact CE1-O 3.48Å; S386-Y388 VanDerWaalsContact CB-CE2 3.48Å; Y388-R398 CarbonylContact O-C 3.57Å; Y388-R398 WeakPolarHBondContact O-CA 3.28Å; Y388-K399 HydrophobicContact CD2-CG 4.32Å; Y388-K399 HydrophobicContact CG-CG 4.46Å; Y388-K399 PolarHBondContact N-O 2.75Å; Y388-K399 PolarHBondContact O-N 2.97Å; Y388-K399 VanDerWaalsContact O-O 3.12Å; Y388-V401 HydrophobicContact CD2-CG2 3.94Å; Y388-V401 HydrophobicContact CE2-CB 4.02Å; Y388-V401 HydrophobicContact CE2-CG2 3.64Å |
| 389 | K | 97.7 | Very high | 95.6 | Very high | 99 Ų | 99 | 58.8 Ų | 58.8 | 43% | 0.43 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 149.4 | 169.6 | 61.5 | 172.4 | -177.5 | -79.2 | 0 | 109.8 | R371 Y373 | R371-K389 PolarHBondContact N-O 3.28Å; R371-K389 PolarHBondContact O-N 3.4Å; Y373-K389 HydrophobicContact CD1-CB 3.96Å; Y373-K389 HydrophobicContact CD1-CG 4.07Å; Y373-K389 HydrophobicContact CE1-CB 4.22Å |
| 390 | C | 97.3 | Very high | 95.7 | Very high | 8 Ų | 8 | 49.3 Ų | 49.3 | 5% | 0.054 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.3 | 147 | 171.5 | -169 | 0 | 0 | 0 | 0 | 110.3 | W370 C395 V397 H421 | W370-C390 HydrophobicContact CZ3-CB 4.27Å; C390-C395 HydrophobicContact CB-CB 4.03Å; C390-C395 VanDerWaalsContact CB-SG 3.59Å; C390-V397 HydrophobicContact CB-CB 4.24Å; C390-V397 PolarHBondContact N-O 2.65Å; C390-H421 PolarHBondContact SG-NE2 3.42Å |
| 391 | T | 97.2 | Very high | 96 | Very high | 24 Ų | 24 | 46.3 Ų | 46.3 | 15% | 0.147 | 27% | 0.272 | C | S | . | . | trans | -89.3 | -14.8 | -178 | 62 | 0 | 0 | 0 | 0 | 115.2 | R369 W370 R371 | R369-T391 HydrophobicContact CB-CG2 4.3Å; R369-T391 WeakPolarHBondContact CB-OG1 3.27Å; R369-T391 WeakPolarHBondContact O-CG2 3.31Å; R369-T391 PolarHBondContact O-N 2.78Å; R369-T391 PolarHBondContact O-OG1 3.4Å; R369-T391 VanDerWaalsContact O-OG1 3.13Å; W370-T391 VanDerWaalsContact C-CG2 3.45Å; R371-T391 HydrophobicContact CB-CG2 3.95Å; R371-T391 HydrophobicContact CG-CG2 3.49Å; R371-T391 VanDerWaalsContact CG-CG2 3.49Å; R371-T391 PolarHBondContact NH1-O 3.32Å | ||
| 392 | T | 96.2 | Very high | 96.3 | Very high | 44 Ų | 44 | 46.9 Ų | 46.9 | 27% | 0.27 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -68.5 | 136 | -179.2 | -49 | 0 | 0 | 0 | 0 | 109.7 | G394 C395 H421 | T392-G394 PolarHBondContact O-N 3.49Å; T392-C395 WeakPolarHBondContact O-CB 3.37Å; T392-C395 PolarHBondContact O-N 2.86Å; T392-C395 VanDerWaalsContact O-N 3.17Å; T392-H421 VanDerWaalsContact CB-CD2 3.45Å; T392-H421 WeakPolarHBondContact CB-CD2 3.46Å; T392-H421 WeakPolarHBondContact CB-NE2 3.27Å; T392-H421 HydrophobicContact CG2-CB 4.04Å; T392-H421 PolarHBondContact OG1-CE1 2.9Å; T392-H421 PolarHBondContact OG1-ND1 2.86Å; T392-H421 PolarHBondContact OG1-NE2 2.82Å; T392-H421 VanDerWaalsContact OG1-NE2 3.12Å |
| 393 | A | 96 | Very high | 96.5 | Very high | 98 Ų | 98 | 42.4 Ų | 42.4 | 81% | 0.81 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | 134.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | C395 | A393-C395 PolarHBondContact O-N 2.69Š|
| 394 | G | 95.7 | Very high | 96.5 | Very high | 70 Ų | 70 | 40.7 Ų | 40.7 | 72% | 0.722 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 69.1 | 5.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | T392 N420 | T392-G394 PolarHBondContact O-N 3.49Å; G394-N420 PolarHBondContact O-ND2 2.8Å |
| 395 | C | 97.1 | Very high | 96.2 | Very high | 19 Ų | 19 | 41.5 Ų | 41.5 | 13% | 0.128 | 24% | 0.241 | C | C | . | . | trans | -79.8 | 123.1 | 179.3 | -174.5 | 0 | 0 | 0 | 0 | 111.7 | C390 T392 A393 V397 N420 H421 | C390-C395 HydrophobicContact CB-CB 4.03Å; C390-C395 VanDerWaalsContact CB-SG 3.59Å; T392-C395 WeakPolarHBondContact O-CB 3.37Å; T392-C395 PolarHBondContact O-N 2.86Å; T392-C395 VanDerWaalsContact O-N 3.17Å; A393-C395 PolarHBondContact O-N 2.69Å; C395-V397 VanDerWaalsContact C-N 3.28Å; C395-V397 PolarHBondContact O-N 2.75Å; C395-N420 VanDerWaalsContact CA-OD1 3.3Å; C395-N420 WeakPolarHBondContact CA-OD1 3.38Å; C395-N420 WeakPolarHBondContact CB-OD1 3.21Å; C395-H421 VanDerWaalsContact SG-CD2 3.59Å; C395-H421 PolarHBondContact SG-NE2 2.97Å | ||
| 396 | P | 96.3 | Very high | 95.8 | Very high | 76 Ų | 76 | 44.5 Ų | 44.5 | 49% | 0.494 | 26% | 0.257 | S | S | . | . | trans | -77.6 | -11.3 | -176.7 | 32 | -36.1 | 0 | 0 | 0 | 113.6 | R398 K418 | P396-R398 PolarHBondContact O-N 3.36Å; P396-K418 WeakPolarHBondContact CG-O 3.45Å | ||
| 397 | V | 96.9 | Very high | 95.3 | Very high | 4 Ų | 4 | 46.2 Ų | 46.2 | 2% | 0.024 | 27% | 0.265 | C | S | . | . | trans | -68.1 | 133.3 | -167.1 | -175.1 | 0 | 0 | 0 | 0 | 113 | W370 C390 C395 E416 K418 H419 | W370-V397 HydrophobicContact CH2-CG1 3.62Å; W370-V397 HydrophobicContact CZ3-CG1 3.98Å; C390-V397 HydrophobicContact CB-CB 4.24Å; C390-V397 PolarHBondContact N-O 2.65Å; C395-V397 VanDerWaalsContact C-N 3.28Å; C395-V397 PolarHBondContact O-N 2.75Å; V397-E416 WeakPolarHBondContact CA-O 3.39Å; V397-E416 WeakPolarHBondContact CG1-O 3.38Å; V397-K418 VanDerWaalsContact CG2-O 3.24Å; V397-K418 WeakPolarHBondContact CG2-O 3.47Å; V397-H419 HydrophobicContact CG2-CB 4.31Å | ||
| 398 | R | 97.1 | Very high | 94.9 | Very high | 136 Ų | 136 | 52.1 Ų | 52.1 | 51% | 0.513 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 151.6 | 173.3 | -60.2 | 173.5 | -172.2 | 178.1 | 0.1 | 108.9 | Y388 P396 Y415 E416 | Y388-R398 CarbonylContact O-C 3.57Å; Y388-R398 WeakPolarHBondContact O-CA 3.28Å; P396-R398 PolarHBondContact O-N 3.36Å; R398-Y415 CarbonylContact O-C 3.54Å; R398-Y415 WeakPolarHBondContact O-CA 3.02Å; R398-E416 HydrophobicContact CB-CB 4.46Å; R398-E416 PolarHBondContact N-O 3.43Å; R398-E416 VanDerWaalsContact N-O 3.08Å; R398-E416 PolarHBondContact O-N 2.82Å |
| 399 | K | 96.5 | Very high | 94.5 | Very high | 9 Ų | 9 | 57.3 Ų | 57.3 | 4% | 0.039 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 151.4 | 165.5 | 73.2 | -176.8 | -172.2 | 179.2 | 0 | 111.6 | D366 W370 Y388 T413 T414 Y415 | D366-K399 IonicContact OD2-NZ 2.65Å; D366-K399 PolarHBondContact OD2-NZ 3.17Å; W370-K399 HydrophobicContact CD2-CD 3.86Å; W370-K399 VanDerWaalsContact CD2-CE 3.5Å; W370-K399 HydrophobicContact CD2-CG 4.21Å; W370-K399 VanDerWaalsContact CE2-CE 3.42Å; W370-K399 HydrophobicContact CE3-CD 3.95Å; W370-K399 HydrophobicContact CE3-CG 3.82Å; W370-K399 HydrophobicContact CH2-CB 4.36Å; W370-K399 HydrophobicContact CH2-CD 3.79Å; W370-K399 HydrophobicContact CH2-CG 4.09Å; W370-K399 HydrophobicContact CZ2-CD 3.69Å; W370-K399 HydrophobicContact CZ2-CG 4.45Å; W370-K399 HydrophobicContact CZ3-CB 4.18Å; W370-K399 HydrophobicContact CZ3-CD 3.91Å; W370-K399 HydrophobicContact CZ3-CG 3.75Å; W370-K399 VanDerWaalsContact NE1-NZ 3.18Å; Y388-K399 HydrophobicContact CD2-CG 4.32Å; Y388-K399 HydrophobicContact CG-CG 4.46Å; Y388-K399 PolarHBondContact N-O 2.75Å; Y388-K399 PolarHBondContact O-N 2.97Å; Y388-K399 VanDerWaalsContact O-O 3.12Å; K399-T413 HydrophobicContact CB-CG2 4.3Å; K399-T413 HydrophobicContact CD-CG2 3.79Å; K399-T413 HydrophobicContact CG-CG2 4.35Å; K399-T414 CarbonylContact C-O 3.53Å; K399-T414 WeakPolarHBondContact CA-O 3.44Å; K399-T414 VanDerWaalsContact CB-O 3.32Å; K399-T414 WeakPolarHBondContact CB-O 3.46Å; K399-Y415 HydrophobicContact CB-CD1 3.81Å; K399-Y415 HydrophobicContact CB-CE1 4.19Å; K399-Y415 HydrophobicContact CB-CG 4.2Å; K399-Y415 HydrophobicContact CD-CD1 3.8Å; K399-Y415 HydrophobicContact CD-CE1 3.31Å; K399-Y415 HydrophobicContact CG-CD1 4.44Å; K399-Y415 HydrophobicContact CG-CE1 4.38Å |
| 400 | H | 96.5 | Very high | 94.2 | Very high | 13 Ų | 13 | 52.6 Ų | 52.6 | 6% | 0.06 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 144.9 | 165.3 | 63.9 | 89.5 | 0 | 0 | 0 | 110.2 | R352 R385 S386 Y387 T413 T414 | R352-H400 PolarHBondContact NH2-NE2 3.45Å; R385-H400 HydrophobicContact CG-CB 4.13Å; S386-H400 CarbonylContact O-C 3.55Å; S386-H400 VanDerWaalsContact O-CA 3.24Å; S386-H400 WeakPolarHBondContact O-CA 3.12Å; Y387-H400 HydrophobicContact CD1-CB 3.71Å; Y387-H400 HydrophobicContact CE1-CB 3.87Å; Y387-H400 HydrophobicContact CG-CB 4.2Å; H400-T413 CarbonylContact O-C 3.54Å; H400-T413 WeakPolarHBondContact O-CA 3.27Å; H400-T414 WeakPolarHBondContact CE1-CB 3.45Å; H400-T414 PolarHBondContact CE1-OG1 3.21Å; H400-T414 PolarHBondContact N-O 3.14Å; H400-T414 VanDerWaalsContact NE2-CB 3.26Å; H400-T414 WeakPolarHBondContact NE2-CB 3.15Å; H400-T414 WeakPolarHBondContact NE2-CG2 3.05Å; H400-T414 PolarHBondContact O-N 3.15Å |
| 401 | V | 97 | Very high | 94 | Very high | 7 Ų | 7 | 52.2 Ų | 52.2 | 4% | 0.042 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 128.3 | -175.1 | -179.5 | 0 | 0 | 0 | 0 | 107.7 | D362 R385 S386 Y388 V411 I412 T413 | D362-V401 HydrophobicContact CB-CG1 4.4Å; D362-V401 WeakPolarHBondContact O-CG1 3.2Å; R385-V401 CarbonylContact C-O 3.56Å; R385-V401 WeakPolarHBondContact CA-O 3.47Å; S386-V401 PolarHBondContact N-O 3Å; S386-V401 PolarHBondContact O-N 2.91Å; Y388-V401 HydrophobicContact CD2-CG2 3.94Å; Y388-V401 HydrophobicContact CE2-CB 4.02Å; Y388-V401 HydrophobicContact CE2-CG2 3.64Å; V401-V411 HydrophobicContact CG1-CG1 3.75Å; V401-I412 WeakPolarHBondContact CA-O 3.25Å; V401-T413 HydrophobicContact CG2-CG2 3.96Å |
| 402 | E | 95.4 | Very high | 93.9 | Very high | 29 Ų | 29 | 52.6 Ų | 52.6 | 14% | 0.136 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 136.6 | 171.9 | 64.2 | -172.6 | 163.5 | 0 | 0 | 111.3 | R385 I412 | R385-E402 HydrophobicContact CB-CB 4.13Å; R385-E402 HydrophobicContact CG-CB 4.13Å; R385-E402 IonicContact CZ-OE1 3.74Å; R385-E402 IonicContact CZ-OE2 3.11Å; R385-E402 IonicContact NE-OE1 3.73Å; R385-E402 IonicContact NE-OE2 2.76Å; R385-E402 PolarHBondContact NE-OE2 2.7Å; R385-E402 IonicContact NH2-OE1 2.64Å; R385-E402 PolarHBondContact NH2-OE1 2.95Å; R385-E402 IonicContact NH2-OE2 3.19Å; R385-E402 PolarHBondContact NH2-OE2 3.42Å; E402-I412 HydrophobicContact CG-CB 3.97Å; E402-I412 HydrophobicContact CG-CD1 4.48Å; E402-I412 HydrophobicContact CG-CG2 4.49Å; E402-I412 PolarHBondContact N-O 2.98Å; E402-I412 WeakPolarHBondContact O-CA 3.22Å; E402-I412 WeakPolarHBondContact O-CB 3.16Å; E402-I412 PolarHBondContact O-N 3.49Å |
| 403 | R | 95.2 | Very high | 93.9 | Very high | 20 Ų | 20 | 50.7 Ų | 50.7 | 8% | 0.075 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 137.1 | 166 | -167.4 | 173.4 | -67.9 | -85.3 | 9.2 | 108.9 | S359 D360 D362 N381 N383 K408 A410 | S359-R403 PolarHBondContact O-NH1 3.38Å; D360-R403 PolarHBondContact O-NH2 3.16Å; D362-R403 IonicContact OD1-CZ 3.49Å; D362-R403 IonicContact OD1-NE 2.78Å; D362-R403 PolarHBondContact OD1-NE 2.96Å; D362-R403 VanDerWaalsContact OD1-NE 3.07Å; D362-R403 IonicContact OD1-NH2 3.7Å; D362-R403 PolarHBondContact OD1-NH2 2.83Å; D362-R403 IonicContact OD2-CZ 3.75Å; D362-R403 IonicContact OD2-NE 2.91Å; D362-R403 PolarHBondContact OD2-NE 3.32Å; D362-R403 IonicContact OD2-NH2 3.58Å; D362-R403 PolarHBondContact OD2-NH2 2.85Å; N381-R403 PolarHBondContact ND2-O 2.89Å; N383-R403 HydrophobicContact CB-CB 3.86Å; R403-K408 WeakPolarHBondContact CD-O 3.21Å; R403-K408 PolarHBondContact NH1-O 2.87Å; R403-A410 CarbonylContact C-O 3.44Å; R403-A410 WeakPolarHBondContact CA-O 3.47Å |
| 404 | A | 90.9 | Very high | 93.8 | Very high | 5 Ų | 5 | 46.4 Ų | 46.4 | 4% | 0.041 | 24% | 0.241 | C | C | . | . | trans | -64.2 | 148.1 | -179 | 0 | 0 | 0 | 0 | 0 | 111.5 | A410 I412 | A404-A410 HydrophobicContact CB-CB 3.87Å; A404-A410 PolarHBondContact N-O 3.09Å; A404-I412 HydrophobicContact CB-CD1 4.26Å | ||
| 405 | S | 90.7 | Very high | 93.9 | Very high | 69 Ų | 69 | 45 Ų | 45 | 48% | 0.483 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -71.3 | -30.8 | 176.5 | 53.4 | 0 | 0 | 0 | 0 | 113.2 | G380 | G380-S405 WeakPolarHBondContact O-CB 3.46Š|
| 406 | H | 88.9 | Confident | 93.7 | Very high | 124 Ų | 124 | 46.1 Ų | 46.1 | 57% | 0.574 | 22% | 0.218 | S | C | * | . | S | Bend | trans | -91.2 | -11.9 | -177.2 | 63.2 | -91.8 | 0 | 0 | 0 | 113.9 | ||
| 407 | D | 87 | Confident | 93.5 | Very high | 50 Ų | 50 | 43.8 Ų | 43.8 | 27% | 0.267 | 21% | 0.207 | S | C | . | . | trans | -146.7 | 111.4 | -178.1 | -176.5 | -15.9 | 0 | 0 | 0 | 109.6 | M358 R409 A410 | M358-D407 VanDerWaalsContact CE-OD2 3.28Å; M358-D407 WeakPolarHBondContact CE-OD2 3.45Å; D407-R409 PolarHBondContact O-N 2.87Å; D407-R409 VanDerWaalsContact O-N 3.13Å; D407-R409 WeakPolarHBondContact OD1-CA 3.46Å; D407-R409 WeakPolarHBondContact OD1-CB 3.3Å; D407-R409 PolarHBondContact OD1-N 3.31Å; D407-A410 HydrophobicContact CB-CB 3.86Å; D407-A410 PolarHBondContact O-N 3.48Å; D407-A410 PolarHBondContact OD1-N 2.86Å | ||
| 408 | K | 88.4 | Confident | 93.3 | Very high | 174 Ų | 174 | 51.6 Ų | 51.6 | 76% | 0.757 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -9 | -179.9 | -65.1 | -177.3 | -176.9 | 176.7 | 0 | 113.2 | R403 | R403-K408 WeakPolarHBondContact CD-O 3.21Å; R403-K408 PolarHBondContact NH1-O 2.87Å |
| 409 | R | 89.9 | Confident | 93.2 | Very high | 125 Ų | 125 | 47.6 Ų | 47.6 | 47% | 0.472 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.2 | -13.8 | 178.8 | -51.6 | -171.3 | 75.2 | -155.6 | 3.4 | 112.7 | M358 S359 D360 D407 V411 | M358-R409 CarbonylContact C-O 3.56Å; M358-R409 WeakPolarHBondContact CA-O 3.38Å; M358-R409 HydrophobicContact CE-CB 3.77Å; S359-R409 PolarHBondContact N-O 2.84Å; S359-R409 VanDerWaalsContact O-O 3.14Å; D360-R409 WeakPolarHBondContact OD1-CG 3.39Å; D360-R409 IonicContact OD1-CZ 2.74Å; D360-R409 IonicContact OD1-NE 3.11Å; D360-R409 PolarHBondContact OD1-NE 2.85Å; D360-R409 IonicContact OD1-NH2 3.21Å; D360-R409 PolarHBondContact OD1-NH2 3.43Å; D360-R409 IonicContact OD2-CZ 3.1Å; D360-R409 IonicContact OD2-NE 3.07Å; D360-R409 IonicContact OD2-NH2 3.34Å; D360-R409 PolarHBondContact OD2-NH2 2.88Å; D407-R409 PolarHBondContact O-N 2.87Å; D407-R409 VanDerWaalsContact O-N 3.13Å; D407-R409 WeakPolarHBondContact OD1-CA 3.46Å; D407-R409 WeakPolarHBondContact OD1-CB 3.3Å; D407-R409 PolarHBondContact OD1-N 3.31Å; R409-V411 PolarHBondContact O-N 3.17Å |
| 410 | A | 91.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 105.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q356 M358 R403 A404 D407 | Q356-A410 HydrophobicContact CG-CB 4.41Å; M358-A410 HydrophobicContact SD-CB 4.06Å; R403-A410 CarbonylContact C-O 3.44Å; R403-A410 WeakPolarHBondContact CA-O 3.47Å; A404-A410 HydrophobicContact CB-CB 3.87Å; A404-A410 PolarHBondContact N-O 3.09Å; D407-A410 HydrophobicContact CB-CB 3.86Å; D407-A410 PolarHBondContact O-N 3.48Å; D407-A410 PolarHBondContact OD1-N 2.86Å |
| 411 | V | 94.3 | Very high | 93 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 115.9 | 175 | 179.7 | 0 | 0 | 0 | 0 | 109.5 | Q356 T357 S359 D362 V401 R409 | Q356-V411 WeakPolarHBondContact CA-O 3.49Å; T357-V411 PolarHBondContact N-O 2.83Å; T357-V411 PolarHBondContact O-N 3.36Å; S359-V411 WeakPolarHBondContact O-CG2 3.4Å; D362-V411 WeakPolarHBondContact O-CG1 3.32Å; V401-V411 HydrophobicContact CG1-CG1 3.75Å; R409-V411 PolarHBondContact O-N 3.17Å |
| 412 | I | 94 | Very high | 92.8 | Very high | 33 Ų | 33 | 59.8 Ų | 59.8 | 17% | 0.169 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 112 | -179.4 | -56.1 | 167.9 | 0 | 0 | 0 | 108.2 | V354 Q356 V401 E402 A404 | V354-I412 HydrophobicContact CG1-CG2 3.73Å; Q356-I412 HydrophobicContact CG-CG1 4.23Å; V401-I412 WeakPolarHBondContact CA-O 3.25Å; E402-I412 HydrophobicContact CG-CB 3.97Å; E402-I412 HydrophobicContact CG-CD1 4.48Å; E402-I412 HydrophobicContact CG-CG2 4.49Å; E402-I412 PolarHBondContact N-O 2.98Å; E402-I412 WeakPolarHBondContact O-CA 3.22Å; E402-I412 WeakPolarHBondContact O-CB 3.16Å; E402-I412 PolarHBondContact O-N 3.49Å; A404-I412 HydrophobicContact CB-CD1 4.26Å |
| 413 | T | 95.9 | Very high | 92.6 | Very high | 4 Ų | 4 | 61.3 Ų | 61.3 | 3% | 0.025 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 120 | 172.6 | -56.1 | 0 | 0 | 0 | 0 | 110.2 | V355 K399 H400 V401 Y415 | V355-T413 PolarHBondContact N-O 3.12Å; V355-T413 PolarHBondContact O-N 2.88Å; K399-T413 HydrophobicContact CB-CG2 4.3Å; K399-T413 HydrophobicContact CD-CG2 3.79Å; K399-T413 HydrophobicContact CG-CG2 4.35Å; H400-T413 CarbonylContact O-C 3.54Å; H400-T413 WeakPolarHBondContact O-CA 3.27Å; V401-T413 HydrophobicContact CG2-CG2 3.96Å; T413-Y415 HydrophobicContact CG2-CD2 4.07Å; T413-Y415 HydrophobicContact CG2-CE1 4.22Å; T413-Y415 HydrophobicContact CG2-CE2 3.41Å; T413-Y415 VanDerWaalsContact CG2-CE2 3.41Å; T413-Y415 VanDerWaalsContact CG2-CZ 3.48Å |
| 414 | T | 95.3 | Very high | 92.2 | Very high | 8 Ų | 8 | 62 Ų | 62 | 5% | 0.049 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 122.6 | 174.7 | -58.2 | 0 | 0 | 0 | 0 | 110.2 | R352 L353 V354 K399 H400 | R352-T414 HydrophobicContact CB-CG2 4.19Å; L353-T414 CarbonylContact O-C 3.57Å; L353-T414 WeakPolarHBondContact O-CA 3.26Å; V354-T414 HydrophobicContact CG2-CG2 4Å; K399-T414 CarbonylContact C-O 3.53Å; K399-T414 WeakPolarHBondContact CA-O 3.44Å; K399-T414 VanDerWaalsContact CB-O 3.32Å; K399-T414 WeakPolarHBondContact CB-O 3.46Å; H400-T414 WeakPolarHBondContact CE1-CB 3.45Å; H400-T414 PolarHBondContact CE1-OG1 3.21Å; H400-T414 PolarHBondContact N-O 3.14Å; H400-T414 VanDerWaalsContact NE2-CB 3.26Å; H400-T414 WeakPolarHBondContact NE2-CB 3.15Å; H400-T414 WeakPolarHBondContact NE2-CG2 3.05Å; H400-T414 PolarHBondContact O-N 3.15Å |
| 415 | Y | 96.3 | Very high | 91.5 | Very high | 41 Ų | 41 | 67.7 Ų | 67.7 | 16% | 0.161 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 145.5 | 175.4 | -55.9 | -100.8 | 0 | 0 | 0 | 111 | R352 L353 V355 D366 W370 R398 K399 T413 | R352-Y415 VanDerWaalsContact CA-O 3.29Å; R352-Y415 WeakPolarHBondContact CA-O 3.35Å; L353-Y415 HydrophobicContact CD2-CD2 4.29Å; L353-Y415 HydrophobicContact CG-CD2 4.3Å; L353-Y415 PolarHBondContact N-O 2.91Å; L353-Y415 PolarHBondContact O-N 2.82Å; V355-Y415 HydrophobicContact CB-CE2 4.45Å; V355-Y415 HydrophobicContact CG2-CD2 4.39Å; V355-Y415 HydrophobicContact CG2-CE2 3.98Å; D366-Y415 WeakPolarHBondContact OD2-CE1 3.43Å; D366-Y415 PolarHBondContact OD2-OH 2.9Å; W370-Y415 AromaticContact CH2-CD1 3.99Å; W370-Y415 HydrophobicContact CH2-CD1 3.99Å; W370-Y415 HydrophobicContact CH2-CE1 4.12Å; W370-Y415 HydrophobicContact CZ2-CD1 4.19Å; W370-Y415 AromaticContact CZ2-CE1 3.85Å; W370-Y415 HydrophobicContact CZ2-CE1 3.85Å; R398-Y415 CarbonylContact O-C 3.54Å; R398-Y415 WeakPolarHBondContact O-CA 3.02Å; K399-Y415 HydrophobicContact CB-CD1 3.81Å; K399-Y415 HydrophobicContact CB-CE1 4.19Å; K399-Y415 HydrophobicContact CB-CG 4.2Å; K399-Y415 HydrophobicContact CD-CD1 3.8Å; K399-Y415 HydrophobicContact CD-CE1 3.31Å; K399-Y415 HydrophobicContact CG-CD1 4.44Å; K399-Y415 HydrophobicContact CG-CE1 4.38Å; T413-Y415 HydrophobicContact CG2-CD2 4.07Å; T413-Y415 HydrophobicContact CG2-CE1 4.22Å; T413-Y415 HydrophobicContact CG2-CE2 3.41Å; T413-Y415 VanDerWaalsContact CG2-CE2 3.41Å; T413-Y415 VanDerWaalsContact CG2-CZ 3.48Å |
| 416 | E | 93.4 | Very high | 90 | Very high | 42 Ų | 42 | 66.7 Ų | 66.7 | 20% | 0.196 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 140.6 | 178.4 | -43.8 | -171.9 | 134.9 | 0 | 0 | 109.4 | R352 V397 R398 | R352-E416 HydrophobicContact CG-CG 4.24Å; R352-E416 IonicContact CZ-OE1 2.68Å; R352-E416 IonicContact NE-OE1 3.03Å; R352-E416 PolarHBondContact NE-OE1 3.01Å; R352-E416 IonicContact NH2-OE1 2.65Å; R352-E416 PolarHBondContact NH2-OE1 3.42Å; V397-E416 WeakPolarHBondContact CA-O 3.39Å; V397-E416 WeakPolarHBondContact CG1-O 3.38Å; R398-E416 HydrophobicContact CB-CB 4.46Å; R398-E416 PolarHBondContact N-O 3.43Å; R398-E416 VanDerWaalsContact N-O 3.08Å; R398-E416 PolarHBondContact O-N 2.82Å |
| 417 | G | 92 | Very high | 88.4 | Confident | 26 Ų | 26 | 69.8 Ų | 69.8 | 27% | 0.268 | 35% | 0.352 | S | S | . | . | S | Bend | trans | 78.8 | -171 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | E350 | E350-G417 WeakPolarHBondContact OE1-CA 3.46Å; E350-G417 PolarHBondContact OE1-N 2.78Å |
| 418 | K | 93.2 | Very high | 86.6 | Confident | 168 Ų | 168 | 69.7 Ų | 69.7 | 73% | 0.73 | 36% | 0.362 | S | S | * | . | trans | -131.8 | 141.3 | 177.2 | -61.8 | 178 | -174.8 | 171.9 | 0 | 110.3 | P396 V397 | P396-K418 WeakPolarHBondContact CG-O 3.45Å; V397-K418 VanDerWaalsContact CG2-O 3.24Å; V397-K418 WeakPolarHBondContact CG2-O 3.47Å | ||
| 419 | H | 95.4 | Very high | 84.9 | Confident | 53 Ų | 53 | 64.4 Ų | 64.4 | 25% | 0.245 | 35% | 0.351 | C | S | . | . | trans | -67.7 | 134 | 174.3 | -71.2 | -83.6 | 0 | 0 | 0 | 109.5 | F368 W370 V397 H421 | F368-H419 AromaticContact CD1-CE1 3.44Å; F368-H419 VanDerWaalsContact CD1-CE1 3.44Å; F368-H419 WeakPolarHBondContact CD1-CE1 3.48Å; F368-H419 AromaticContact CD1-CG 3.94Å; F368-H419 AromaticContact CD1-ND1 3.57Å; F368-H419 AromaticContact CD1-NE2 3.76Å; F368-H419 AromaticContact CD2-NE2 3.66Å; F368-H419 HydrophobicContact CE1-CB 4.05Å; F368-H419 AromaticContact CE1-CD2 3.64Å; F368-H419 AromaticContact CE1-CE1 3.81Å; F368-H419 AromaticContact CE1-CG 3.49Å; F368-H419 VanDerWaalsContact CE1-CG 3.49Å; F368-H419 AromaticContact CE1-ND1 3.6Å; F368-H419 AromaticContact CE1-NE2 3.87Å; F368-H419 AromaticContact CE2-CD2 3.75Å; F368-H419 AromaticContact CE2-NE2 3.79Å; F368-H419 AromaticContact CG-CE1 3.58Å; F368-H419 AromaticContact CG-NE2 3.63Å; F368-H419 HydrophobicContact CZ-CB 4.31Å; F368-H419 AromaticContact CZ-CD2 3.48Å; F368-H419 VanDerWaalsContact CZ-CD2 3.48Å; F368-H419 WeakPolarHBondContact CZ-CD2 3.49Å; F368-H419 AromaticContact CZ-CG 3.77Å; F368-H419 AromaticContact CZ-NE2 3.88Å; W370-H419 AromaticContact CH2-CE1 3.9Å; W370-H419 AromaticContact CH2-NE2 3.78Å; W370-H419 AromaticContact CZ2-NE2 3.96Å; V397-H419 HydrophobicContact CG2-CB 4.31Å; H419-H421 AromaticContact CG-NE2 3.98Å; H419-H421 AromaticContact ND1-CE1 3.45Å; H419-H421 PolarHBondContact ND1-CE1 3.17Å; H419-H421 AromaticContact ND1-NE2 3.09Å; H419-H421 PolarHBondContact ND1-NE2 2.85Å | ||
| 420 | N | 93.2 | Very high | 83.2 | Confident | 102 Ų | 102 | 61 Ų | 61 | 55% | 0.545 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -103.2 | 21.5 | 174.9 | 60.4 | -13.5 | 0 | 0 | 0 | 112.1 | G394 C395 | G394-N420 PolarHBondContact O-ND2 2.8Å; C395-N420 VanDerWaalsContact CA-OD1 3.3Å; C395-N420 WeakPolarHBondContact CA-OD1 3.38Å; C395-N420 WeakPolarHBondContact CB-OD1 3.21Å |
| 421 | H | 94.7 | Very high | 81.7 | Confident | 42 Ų | 42 | 64.3 Ų | 64.3 | 19% | 0.194 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -150 | 157 | -179.5 | 63.4 | 84.7 | 0 | 0 | 0 | 108.4 | F368 C390 T392 C395 H419 | F368-H421 AromaticContact CD1-CE1 3.77Å; F368-H421 AromaticContact CE1-CE1 3.96Å; C390-H421 PolarHBondContact SG-NE2 3.42Å; T392-H421 VanDerWaalsContact CB-CD2 3.45Å; T392-H421 WeakPolarHBondContact CB-CD2 3.46Å; T392-H421 WeakPolarHBondContact CB-NE2 3.27Å; T392-H421 HydrophobicContact CG2-CB 4.04Å; T392-H421 PolarHBondContact OG1-CE1 2.9Å; T392-H421 PolarHBondContact OG1-ND1 2.86Å; T392-H421 PolarHBondContact OG1-NE2 2.82Å; T392-H421 VanDerWaalsContact OG1-NE2 3.12Å; C395-H421 VanDerWaalsContact SG-CD2 3.59Å; C395-H421 PolarHBondContact SG-NE2 2.97Å; H419-H421 AromaticContact CG-NE2 3.98Å; H419-H421 AromaticContact ND1-CE1 3.45Å; H419-H421 PolarHBondContact ND1-CE1 3.17Å; H419-H421 AromaticContact ND1-NE2 3.09Å; H419-H421 PolarHBondContact ND1-NE2 2.85Å |
| 422 | D | 93.3 | Very high | 80 | Confident | 140 Ų | 140 | 73.7 Ų | 73.7 | 75% | 0.749 | 41% | 0.408 | S | S | * | . | trans | -71.4 | 165.6 | 173.9 | -159.5 | 5 | 0 | 0 | 0 | 111.7 | P424 | D422-P424 VanDerWaalsContact O-CD 3.27Å; D422-P424 WeakPolarHBondContact O-CD 2.93Å | ||
| 423 | V | 91.6 | Very high | 78.4 | Confident | 62 Ų | 62 | 75.1 Ų | 75.1 | 38% | 0.376 | 43% | 0.425 | S | S | . | . | trans | -58.1 | 116.8 | 175.1 | -175.2 | 0 | 0 | 0 | 0 | 108.6 | G367 F368 V425 | G367-V423 WeakPolarHBondContact O-CG1 3.29Å; F368-V423 HydrophobicContact CE1-CB 4.46Å; F368-V423 HydrophobicContact CE1-CG2 3.94Å; F368-V423 HydrophobicContact CE2-CG2 4.3Å; F368-V423 HydrophobicContact CZ-CG2 3.75Å; V423-V425 PolarHBondContact O-N 3.33Å | ||
| 424 | P | 87 | Confident | 76.9 | Confident | 35 Ų | 35 | 77.7 Ų | 77.7 | 23% | 0.227 | 45% | 0.447 | C | S | . | . | trans | -63.4 | 113.6 | -178.1 | -21.6 | 33.5 | 0 | 0 | 0 | 110.3 | R369 D422 G426 | R369-P424 HydrophobicContact CG-CB 4.44Å; R369-P424 HydrophobicContact CG-CG 4.47Å; D422-P424 VanDerWaalsContact O-CD 3.27Å; D422-P424 WeakPolarHBondContact O-CD 2.93Å; P424-G426 PolarHBondContact O-N 2.58Å | ||
| 425 | V | 76.5 | Confident | 75.4 | Confident | 124 Ų | 124 | 80.2 Ų | 80.2 | 75% | 0.752 | 47% | 0.468 | S | S | * | . | trans | -51.4 | 118.4 | 179.2 | -179.7 | 0 | 0 | 0 | 0 | 109.1 | V423 R427 | V423-V425 PolarHBondContact O-N 3.33Å; V425-R427 PolarHBondContact O-N 2.68Å | ||
| 426 | G | 58.3 | Low | 73.9 | Confident | 47 Ų | 47 | 81.2 Ų | 81.2 | 49% | 0.485 | 49% | 0.485 | S | S | . | . | trans | -55.1 | 124 | -170.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | P424 G428 A429 | P424-G426 PolarHBondContact O-N 2.58Å; G426-G428 PolarHBondContact O-N 3.05Å; G426-A429 PolarHBondContact O-N 2.97Å | ||
| 427 | R | 54.5 | Low | 72.7 | Confident | 190 Ų | 190 | 82.2 Ų | 82.2 | 72% | 0.717 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -58.7 | -9.8 | 177.4 | -76.1 | -174.6 | 176.6 | -174.2 | -4.2 | 113.1 | V425 A429 A430 S431 | V425-R427 PolarHBondContact O-N 2.68Å; R427-A429 VanDerWaalsContact C-N 3.28Å; R427-A429 PolarHBondContact O-N 3.12Å; R427-A430 PolarHBondContact O-N 3.41Å; R427-S431 WeakPolarHBondContact O-CA 3.28Å; R427-S431 WeakPolarHBondContact O-CB 3.44Å; R427-S431 PolarHBondContact O-N 2.86Å; R427-S431 PolarHBondContact O-OG 2.9Å |
| 428 | G | 49.8 | Very low | 71.5 | Confident | 47 Ų | 47 | 83.8 Ų | 83.8 | 49% | 0.485 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.8 | -28.2 | 168.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | G426 R432 | G426-G428 PolarHBondContact O-N 3.05Å; G428-R432 WeakPolarHBondContact O-CD 3.32Å; G428-R432 VanDerWaalsContact O-CG 3.28Å; G428-R432 WeakPolarHBondContact O-CG 3.33Å |
| 429 | A | 52.2 | Low | 70.2 | Confident | 64 Ų | 64 | 79.2 Ų | 79.2 | 53% | 0.529 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -84.1 | -48.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111 | G426 R427 S431 R432 A433 | G426-A429 PolarHBondContact O-N 2.97Å; R427-A429 VanDerWaalsContact C-N 3.28Å; R427-A429 PolarHBondContact O-N 3.12Å; A429-S431 PolarHBondContact O-N 3.43Å; A429-R432 PolarHBondContact O-N 3.44Å; A429-A433 WeakPolarHBondContact O-CB 3.38Å; A429-A433 PolarHBondContact O-N 2.9Å |
| 430 | A | 55.4 | Low | 68.9 | Low | 54 Ų | 54 | 80.3 Ų | 80.3 | 45% | 0.446 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67.8 | -32.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | R427 A434 | R427-A430 PolarHBondContact O-N 3.41Å; A430-A434 WeakPolarHBondContact O-CB 3.42Å; A430-A434 PolarHBondContact O-N 2.87Å |
| 431 | S | 60 | Low | 67.2 | Low | 68 Ų | 68 | 78 Ų | 78 | 48% | 0.476 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -76.9 | -32.4 | 174.7 | 74.5 | 0 | 0 | 0 | 0 | 112.1 | R427 A429 A435 | R427-S431 WeakPolarHBondContact O-CA 3.28Å; R427-S431 WeakPolarHBondContact O-CB 3.44Å; R427-S431 PolarHBondContact O-N 2.86Å; R427-S431 PolarHBondContact O-OG 2.9Å; A429-S431 PolarHBondContact O-N 3.43Å; S431-A435 WeakPolarHBondContact O-CB 3.37Å; S431-A435 PolarHBondContact O-N 3.47Å |
| 432 | R | 58.1 | Low | 65.6 | Low | 197 Ų | 197 | 81.1 Ų | 81.1 | 74% | 0.743 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -67 | -42.9 | 169.8 | -76.5 | 179.3 | -179.2 | 160.3 | -0.1 | 111.2 | G428 A429 A436 | G428-R432 WeakPolarHBondContact O-CD 3.32Å; G428-R432 VanDerWaalsContact O-CG 3.28Å; G428-R432 WeakPolarHBondContact O-CG 3.33Å; A429-R432 PolarHBondContact O-N 3.44Å; R432-A436 WeakPolarHBondContact O-CB 3.46Å; R432-A436 PolarHBondContact O-N 3.04Å |
| 433 | A | 61.2 | Low | 63.5 | Low | 63 Ų | 63 | 77.7 Ų | 77.7 | 52% | 0.521 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -65.1 | -43.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | A429 A437 | A429-A433 WeakPolarHBondContact O-CB 3.38Å; A429-A433 PolarHBondContact O-N 2.9Å; A433-A437 VanDerWaalsContact O-CB 3.22Å; A433-A437 WeakPolarHBondContact O-CB 3.44Å; A433-A437 PolarHBondContact O-N 3.33Å |
| 434 | A | 63.1 | Low | 61.4 | Low | 59 Ų | 59 | 78.9 Ų | 78.9 | 49% | 0.488 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -70.4 | -36.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | A430 A437 A438 | A430-A434 WeakPolarHBondContact O-CB 3.42Å; A430-A434 PolarHBondContact O-N 2.87Å; A434-A437 PolarHBondContact O-N 2.93Å; A434-A438 VanDerWaalsContact O-CB 3.25Å; A434-A438 WeakPolarHBondContact O-CB 3.31Å; A434-A438 PolarHBondContact O-N 2.82Å |
| 435 | A | 63.7 | Low | 59.4 | Low | 61 Ų | 61 | 84.7 Ų | 84.7 | 50% | 0.504 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -69.6 | -39.7 | 174 | 0 | 0 | 0 | 0 | 0 | 111.6 | S431 A438 A439 | S431-A435 WeakPolarHBondContact O-CB 3.37Å; S431-A435 PolarHBondContact O-N 3.47Å; A435-A438 PolarHBondContact O-N 3.44Å; A435-A439 VanDerWaalsContact O-CB 3.26Å; A435-A439 WeakPolarHBondContact O-CB 3.24Å; A435-A439 PolarHBondContact O-N 3.31Å |
| 436 | A | 65.6 | Low | 57.7 | Low | 61 Ų | 61 | 87.9 Ų | 87.9 | 50% | 0.504 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -64.8 | -40.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | R432 A439 A440 | R432-A436 WeakPolarHBondContact O-CB 3.46Å; R432-A436 PolarHBondContact O-N 3.04Å; A436-A439 PolarHBondContact O-N 2.85Å; A436-A440 VanDerWaalsContact O-CB 3.27Å; A436-A440 WeakPolarHBondContact O-CB 3.47Å; A436-A440 PolarHBondContact O-N 3.45Å |
| 437 | A | 68.9 | Low | 56.8 | Low | 63 Ų | 63 | 90.4 Ų | 90.4 | 52% | 0.521 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -67.5 | -38.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | A433 A434 A440 G441 | A433-A437 VanDerWaalsContact O-CB 3.22Å; A433-A437 WeakPolarHBondContact O-CB 3.44Å; A433-A437 PolarHBondContact O-N 3.33Å; A434-A437 PolarHBondContact O-N 2.93Å; A437-A440 PolarHBondContact O-N 3.13Å; A437-G441 PolarHBondContact O-N 3.3Å |
| 438 | A | 67.1 | Low | 56.3 | Low | 59 Ų | 59 | 88.4 Ų | 88.4 | 49% | 0.488 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -68.1 | -41.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | A434 A435 S442 | A434-A438 VanDerWaalsContact O-CB 3.25Å; A434-A438 WeakPolarHBondContact O-CB 3.31Å; A434-A438 PolarHBondContact O-N 2.82Å; A435-A438 PolarHBondContact O-N 3.44Å; A438-S442 WeakPolarHBondContact O-CB 3.34Å; A438-S442 PolarHBondContact O-N 2.91Å; A438-S442 PolarHBondContact O-OG 3.25Å |
| 439 | A | 65.7 | Low | 55.9 | Low | 73 Ų | 73 | 90.1 Ų | 90.1 | 60% | 0.603 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -63.3 | -42.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | A435 A436 | A435-A439 VanDerWaalsContact O-CB 3.26Å; A435-A439 WeakPolarHBondContact O-CB 3.24Å; A435-A439 PolarHBondContact O-N 3.31Å; A436-A439 PolarHBondContact O-N 2.85Å |
| 440 | A | 66.9 | Low | 55.2 | Low | 76 Ų | 76 | 91.3 Ų | 91.3 | 63% | 0.628 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -69.3 | -41.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | A436 A437 S442 G443 | A436-A440 VanDerWaalsContact O-CB 3.27Å; A436-A440 WeakPolarHBondContact O-CB 3.47Å; A436-A440 PolarHBondContact O-N 3.45Å; A437-A440 PolarHBondContact O-N 3.13Å; A440-S442 VanDerWaalsContact C-N 3.26Å; A440-S442 PolarHBondContact O-N 3.38Å; A440-G443 PolarHBondContact O-N 2.86Å |
| 441 | G | 58.9 | Low | 54.5 | Low | 54 Ų | 54 | 92.7 Ų | 92.7 | 56% | 0.557 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -68.9 | -21.4 | -180 | 0 | 0 | 0 | 0 | 0 | 114.2 | A437 G443 | A437-G441 PolarHBondContact O-N 3.3Å; G441-G443 VanDerWaalsContact C-N 3.33Å |
| 442 | S | 60.5 | Low | 53.6 | Low | 106 Ų | 106 | 97.8 Ų | 97.8 | 74% | 0.741 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.6 | -4.6 | -179.9 | -55.3 | 0 | 0 | 0 | 0 | 114 | A438 A440 | A438-S442 WeakPolarHBondContact O-CB 3.34Å; A438-S442 PolarHBondContact O-N 2.91Å; A438-S442 PolarHBondContact O-OG 3.25Å; A440-S442 VanDerWaalsContact C-N 3.26Å; A440-S442 PolarHBondContact O-N 3.38Å |
| 443 | G | 49 | Very low | 52.7 | Low | 69 Ų | 69 | 96 Ų | 96 | 71% | 0.711 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.4 | 1.4 | -176 | 0 | 0 | 0 | 0 | 0 | 116.4 | A440 G441 | A440-G443 PolarHBondContact O-N 2.86Å; G441-G443 VanDerWaalsContact C-N 3.33Å |
| 444 | A | 46.3 | Very low | 51.7 | Low | 86 Ų | 86 | 96.5 Ų | 96.5 | 71% | 0.711 | 71% | 0.714 | S | S | * | * | trans | -107.2 | 15.5 | -162.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 445 | L | 46.2 | Very low | 50.4 | Low | 158 Ų | 158 | 105.2 Ų | 105.2 | 83% | 0.827 | 74% | 0.736 | S | S | * | * | trans | -127.5 | 48.4 | -169.6 | -90.1 | 167.8 | 0 | 0 | 0 | 114.8 | ||||
| 446 | M | 41.3 | Very low | 49.6 | Very low | 191 Ų | 191 | 110.6 Ų | 110.6 | 94% | 0.941 | 75% | 0.75 | S | S | * | * | trans | -153.8 | 85 | 164.9 | -74.7 | -56.1 | 166.4 | 0 | 0 | 111.8 | ||||
| 447 | A | 38.4 | Very low | 48.4 | Very low | 99 Ų | 99 | 114.7 Ų | 114.7 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | trans | -152.6 | 22.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 448 | T | 44 | Very low | 47 | Very low | 148 Ų | 148 | 119.1 Ų | 119.1 | 91% | 0.908 | 77% | 0.769 | S | S | * | * | trans | -152.6 | 128.6 | 172.8 | 46.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 449 | G | 41 | Very low | 45.6 | Very low | 84 Ų | 84 | 123.4 Ų | 123.4 | 87% | 0.866 | 78% | 0.778 | S | S | * | * | trans | 124.3 | 99 | 166.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 450 | G | 38.1 | Very low | 44.5 | Very low | 88 Ų | 88 | 128.1 Ų | 128.1 | 91% | 0.907 | 79% | 0.788 | S | S | * | * | trans | -81.2 | 145.4 | 169 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 451 | G | 39.7 | Very low | 43.2 | Very low | 83 Ų | 83 | 133.4 Ų | 133.4 | 86% | 0.856 | 80% | 0.8 | S | S | * | * | trans | -173.8 | 129.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 452 | Q | 41.5 | Very low | 42.4 | Very low | 175 Ų | 175 | 139.2 Ų | 139.2 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | trans | -97.3 | 157.8 | -166.1 | -162.5 | -169.2 | -26.1 | 0 | 0 | 112.1 | ||||
| 453 | L | 40.4 | Very low | 41.8 | Very low | 159 Ų | 159 | 139.3 Ų | 139.3 | 83% | 0.832 | 81% | 0.81 | S | S | * | * | trans | 81.7 | 136.5 | 164.1 | -49.4 | 172.9 | 0 | 0 | 0 | 118 | ||||
| 454 | G | 40.1 | Very low | 41.6 | Very low | 74 Ų | 74 | 145.9 Ų | 145.9 | 76% | 0.763 | 82% | 0.815 | S | S | * | * | trans | 132.7 | 93.6 | 158.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 455 | Y | 34.7 | Very low | 41.8 | Very low | 243 Ų | 243 | 147.4 Ų | 147.4 | 95% | 0.953 | 82% | 0.816 | S | S | * | * | trans | -63.6 | 133.4 | 173.6 | -65.1 | -102 | 0 | 0 | 0 | 113 | ||||
| 456 | H | 47.9 | Very low | 41.9 | Very low | 174 Ų | 174 | 147.8 Ų | 147.8 | 81% | 0.806 | 82% | 0.818 | S | S | * | * | -157.9 | 132.7 | 125.3 | -156 | -104.7 | 0 | 0 | 0 | 111.7 | |||||
| 457 | H | 40.5 | Very low | 42.2 | Very low | 146 Ų | 146 | 147 Ų | 147 | 68% | 0.676 | 81% | 0.812 | S | S | * | * | trans | -101.9 | 111.5 | -178.4 | 178.3 | 89.8 | 0 | 0 | 0 | 109.8 | Q459 | H457-Q459 PolarHBondContact CE1-NE2 2.93Å; H457-Q459 PolarHBondContact NE2-NE2 2.83Å | ||
| 458 | Q | 38 | Very low | 42.2 | Very low | 156 Ų | 156 | 150 Ų | 150 | 73% | 0.729 | 81% | 0.811 | S | S | * | * | trans | -141.7 | 114.1 | 166.2 | -164.7 | 177.1 | 68 | 0 | 0 | 109.7 | ||||
| 459 | Q | 38 | Very low | 42.2 | Very low | 149 Ų | 149 | 150.9 Ų | 150.9 | 70% | 0.696 | 81% | 0.809 | S | S | * | * | trans | -77.6 | 122.2 | -177.2 | -60.3 | 174.6 | 21.7 | 0 | 0 | 109.9 | H457 | H457-Q459 PolarHBondContact CE1-NE2 2.93Å; H457-Q459 PolarHBondContact NE2-NE2 2.83Å | ||
| 460 | Q | 43 | Very low | 42.4 | Very low | 172 Ų | 172 | 153.1 Ų | 153.1 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | trans | -110.9 | 132.6 | 162.5 | -74.3 | -172.2 | -3.2 | 0 | 0 | 109.4 | ||||
| 461 | Q | 39.7 | Very low | 42.5 | Very low | 187 Ų | 187 | 154.4 Ų | 154.4 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 128.7 | -169.4 | -64.3 | 171.1 | -3.3 | 0 | 0 | 110.4 | ||
| 462 | Q | 41.7 | Very low | 42.5 | Very low | 177 Ų | 177 | 154.4 Ų | 154.4 | 83% | 0.827 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 146.9 | 170.3 | -68.4 | -77.9 | -19.7 | 0 | 0 | 109.8 | ||
| 463 | P | 47.4 | Very low | 42.8 | Very low | 107 Ų | 107 | 150.8 Ų | 150.8 | 70% | 0.695 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 141.7 | -174 | 27.7 | -34.4 | 0 | 0 | 0 | 112.6 | ||
| 464 | Y | 44.8 | Very low | 43.1 | Very low | 207 Ų | 207 | 153.1 Ų | 153.1 | 81% | 0.812 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 135.1 | -176.2 | 57.2 | -83.5 | 0 | 0 | 0 | 113.4 | ||
| 465 | T | 52.1 | Low | 43.1 | Very low | 119 Ų | 119 | 153.3 Ų | 153.3 | 73% | 0.73 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -88.3 | 144.2 | 158.6 | 48.2 | 0 | 0 | 0 | 0 | 109.7 | E467 | T465-E467 VanDerWaalsContact C-N 3.28Å; T465-E467 PolarHBondContact O-N 3.21Å |
| 466 | L | 46.4 | Very low | 43.4 | Very low | 165 Ų | 165 | 145.8 Ų | 145.8 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -80.8 | 69.3 | -174.1 | -164.6 | 145.4 | 0 | 0 | 0 | 111.2 | ||
| 467 | E | 47.7 | Very low | 42.9 | Very low | 174 Ų | 174 | 141.3 Ų | 141.3 | 81% | 0.813 | 80% | 0.8 | S | S | * | * | trans | -142.6 | 57.5 | 176.2 | -70.7 | -160.9 | 140.9 | 0 | 0 | 111.9 | T465 | T465-E467 VanDerWaalsContact C-N 3.28Å; T465-E467 PolarHBondContact O-N 3.21Å | ||
| 468 | M | 38.4 | Very low | 42.8 | Very low | 163 Ų | 163 | 138.6 Ų | 138.6 | 80% | 0.803 | 81% | 0.811 | S | S | * | * | trans | -158.7 | 52.8 | 177.2 | -126.3 | 166.9 | 57.3 | 0 | 0 | 115.7 | ||||
| 469 | L | 44 | Very low | 42.9 | Very low | 167 Ų | 167 | 134 Ų | 134 | 87% | 0.874 | 81% | 0.806 | S | S | * | * | trans | -136.5 | 78.1 | 166.2 | -78.1 | 98.6 | 0 | 0 | 0 | 112.3 | ||||
| 470 | S | 46.4 | Very low | 43.1 | Very low | 130 Ų | 130 | 137.8 Ų | 137.8 | 91% | 0.909 | 82% | 0.815 | S | S | * | * | trans | -176.7 | 61.1 | 149.3 | -82.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 471 | S | 40 | Very low | 43.2 | Very low | 115 Ų | 115 | 133.8 Ų | 133.8 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | trans | -119.1 | 103.2 | 168.8 | 41.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 472 | G | 39.6 | Very low | 43.2 | Very low | 83 Ų | 83 | 130 Ų | 130 | 86% | 0.856 | 81% | 0.813 | S | S | * | * | trans | -175.4 | 48.1 | -169.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 473 | S | 48.3 | Very low | 43.5 | Very low | 100 Ų | 100 | 126.5 Ų | 126.5 | 70% | 0.699 | 81% | 0.814 | S | S | * | * | trans | -146.8 | 156.2 | 161.9 | -161 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 474 | Y | 45.7 | Very low | 43.5 | Very low | 207 Ų | 207 | 131.7 Ų | 131.7 | 81% | 0.812 | 83% | 0.825 | S | S | * | * | trans | -106.7 | 143.9 | -153.6 | 40.6 | -91.2 | 0 | 0 | 0 | 112.8 | ||||
| 475 | G | 41 | Very low | 43.8 | Very low | 78 Ų | 78 | 129.5 Ų | 129.5 | 80% | 0.804 | 83% | 0.827 | S | S | * | * | trans | 57.1 | 105.8 | 137 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 476 | G | 40.2 | Very low | 43.9 | Very low | 85 Ų | 85 | 132 Ų | 132 | 88% | 0.876 | 83% | 0.831 | S | S | * | * | trans | 99.3 | 140.7 | 154.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 477 | G | 38.4 | Very low | 45 | Very low | 81 Ų | 81 | 129.9 Ų | 129.9 | 84% | 0.835 | 83% | 0.827 | S | S | * | * | cis | 164.9 | 104.6 | -5.8 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 478 | G | 38.8 | Very low | 45.4 | Very low | 88 Ų | 88 | 132 Ų | 132 | 91% | 0.907 | 83% | 0.827 | S | S | * | * | trans | 85.5 | 149.1 | 163.2 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 479 | G | 39.7 | Very low | 46 | Very low | 61 Ų | 61 | 132.2 Ų | 132.2 | 63% | 0.629 | 83% | 0.832 | S | S | * | * | trans | 114.7 | 71.3 | 148.2 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 480 | Y | 41 | Very low | 46.2 | Very low | 227 Ų | 227 | 130.1 Ų | 130.1 | 89% | 0.89 | 82% | 0.822 | S | S | * | * | trans | 28 | 152.5 | 143.3 | 63.2 | -97.6 | 0 | 0 | 0 | 124.3 | ||||
| 481 | A | 46.3 | Very low | 46.6 | Very low | 88 Ų | 88 | 132 Ų | 132 | 73% | 0.727 | 82% | 0.82 | S | S | * | * | trans | 81.4 | 88.6 | 155.3 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 482 | A | 39.2 | Very low | 47 | Very low | 109 Ų | 109 | 136.3 Ų | 136.3 | 90% | 0.901 | 83% | 0.825 | S | S | * | * | trans | -1.7 | 120.1 | 140.2 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 483 | A | 48.1 | Very low | 47.6 | Very low | 102 Ų | 102 | 139 Ų | 139 | 84% | 0.843 | 83% | 0.825 | S | S | * | * | trans | -141.4 | 146.5 | 142.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 484 | K | 48.1 | Very low | 47.5 | Very low | 217 Ų | 217 | 142 Ų | 142 | 94% | 0.943 | 83% | 0.833 | S | S | * | * | trans | -85.9 | 128.5 | 174.9 | -63.2 | 170.4 | 178.8 | 175.4 | 0 | 108.2 | ||||
| 485 | D | 49.5 | Very low | 47.8 | Very low | 160 Ų | 160 | 137.5 Ų | 137.5 | 86% | 0.856 | 83% | 0.832 | S | S | * | * | trans | -138.5 | 137.4 | 166.8 | -162 | -123 | 0 | 0 | 0 | 109.3 | ||||
| 486 | E | 54.8 | Low | 48.5 | Very low | 173 Ų | 173 | 141.9 Ų | 141.9 | 81% | 0.808 | 84% | 0.836 | S | S | * | * | trans | -116.7 | 117.8 | -170 | -172.7 | -177.5 | 142.4 | 0 | 0 | 108.4 | R488 | E486-R488 PolarHBondContact O-N 3.14Š| ||
| 487 | P | 69.5 | Low | 48.9 | Very low | 119 Ų | 119 | 146.4 Ų | 146.4 | 77% | 0.773 | 84% | 0.839 | S | S | * | * | trans | -71.7 | 130.7 | -174.9 | 28.1 | -33.3 | 0 | 0 | 0 | 111.2 | ||||
| 488 | R | 55.6 | Low | 49.5 | Very low | 218 Ų | 218 | 152 Ų | 152 | 82% | 0.823 | 86% | 0.864 | S | S | * | * | trans | -90.4 | 113.9 | -170 | -164.1 | -173.8 | -150.5 | 127.6 | 0.2 | 111.1 | E486 D490 | E486-R488 PolarHBondContact O-N 3.14Å; R488-D490 PolarHBondContact O-N 3.47Å; R488-D490 VanDerWaalsContact O-N 3.13Å | ||
| 489 | D | 52.9 | Low | 50 | Low | 168 Ų | 168 | 155.3 Ų | 155.3 | 90% | 0.898 | 86% | 0.861 | S | S | * | * | trans | -77.1 | 88.8 | 172.1 | -75.7 | -48.6 | 0 | 0 | 0 | 111.3 | ||||
| 490 | D | 47.3 | Very low | 50.6 | Low | 124 Ų | 124 | 160.2 Ų | 160.2 | 66% | 0.663 | 87% | 0.874 | S | S | * | * | trans | -136.9 | 162.1 | 165.7 | -86.2 | -57 | 0 | 0 | 0 | 109.2 | R488 | R488-D490 PolarHBondContact O-N 3.47Å; R488-D490 VanDerWaalsContact O-N 3.13Å | ||
| 491 | L | 54.5 | Low | 51.1 | Low | 168 Ų | 168 | 156.5 Ų | 156.5 | 88% | 0.88 | 87% | 0.873 | S | S | * | * | trans | 84.6 | 66.2 | 178.5 | -46.6 | 179.9 | 0 | 0 | 0 | 117.8 | ||||
| 492 | F | 49.3 | Very low | 51.4 | Low | 206 Ų | 206 | 160.5 Ų | 160.5 | 90% | 0.904 | 88% | 0.881 | S | S | * | * | trans | -143.9 | 52.6 | 148 | -152.2 | -93.4 | 0 | 0 | 0 | 114.1 | ||||
| 493 | V | 51.1 | Low | 52.2 | Low | 140 Ų | 140 | 163.8 Ų | 163.8 | 85% | 0.848 | 88% | 0.88 | S | S | * | * | trans | -146 | 81.2 | 160.1 | -170.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 494 | D | 46.4 | Very low | 52.4 | Low | 162 Ų | 162 | 167.9 Ų | 167.9 | 87% | 0.866 | 88% | 0.883 | S | S | * | * | trans | -167.7 | 109.8 | 148.6 | -115.4 | -38.6 | 0 | 0 | 0 | 111.7 | ||||
| 495 | S | 52.1 | Low | 52.7 | Low | 114 Ų | 114 | 164.4 Ų | 164.4 | 80% | 0.797 | 88% | 0.878 | S | S | * | * | trans | -175.3 | 142.6 | 158.2 | -88 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 496 | L | 55.4 | Low | 53 | Low | 169 Ų | 169 | 164.7 Ų | 164.7 | 89% | 0.885 | 88% | 0.88 | S | S | * | * | trans | 77.3 | 59.1 | 170.2 | -56.4 | 165.2 | 0 | 0 | 0 | 116.5 | ||||
| 497 | L | 49.8 | Very low | 52.8 | Low | 180 Ų | 180 | 164 Ų | 164 | 94% | 0.942 | 89% | 0.886 | S | S | * | * | trans | -105.4 | 104.6 | 133.4 | -100.3 | 159.5 | 0 | 0 | 0 | 108.3 | ||||
| 498 | C | 50.2 | Low | 51.3 | Low | 200 Ų | 200 | 168.1 Ų | 168.1 | 100% | 1.351 | 90% | 0.896 | S | S | * | * | trans | -142.1 | 0 | 159.7 | -90.8 | 0 | 0 | 0 | 0 | 106.9 |
Retrieved 498 of 498 residues in 107 ms
(Link to these results)