| 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 | 44.3 | Very low | 46.4 | Very low | 249 Ų | 249 | 167 Ų | 167 | 100% | 1.227 | 84% | 0.837 | S | S | * | * | 0 | 93 | 0 | -83.4 | 168.8 | 158.9 | 0 | 0 | 105.5 | |||||
| 2 | S | 44.7 | Very low | 45.5 | Very low | 98 Ų | 98 | 162.1 Ų | 162.1 | 69% | 0.685 | 83% | 0.83 | S | S | * | * | trans | -91.7 | 154 | 175.4 | -44.2 | 0 | 0 | 0 | 0 | 108 | ||||
| 3 | E | 51 | Low | 44.9 | Very low | 190 Ų | 190 | 161.8 Ų | 161.8 | 89% | 0.888 | 83% | 0.826 | S | S | * | * | trans | 174.9 | 87 | 158.4 | -97.8 | 157.3 | -161.8 | 0 | 0 | 104.2 | ||||
| 4 | D | 44.1 | Very low | 44.8 | Very low | 144 Ų | 144 | 161.9 Ų | 161.9 | 77% | 0.77 | 83% | 0.825 | S | S | * | * | 57.3 | 108.6 | 74.6 | -58 | -35.2 | 0 | 0 | 0 | 112.6 | |||||
| 5 | Y | 46.1 | Very low | 44.7 | Very low | 242 Ų | 242 | 164.9 Ų | 164.9 | 95% | 0.949 | 82% | 0.822 | S | S | * | * | trans | -122.2 | 89.1 | 172.7 | -137.2 | -90.3 | 0 | 0 | 0 | 107.9 | ||||
| 6 | E | 48.3 | Very low | 44.7 | Very low | 188 Ų | 188 | 165.1 Ų | 165.1 | 88% | 0.879 | 82% | 0.823 | S | S | * | * | trans | -107.6 | 134.4 | 164.3 | -87.5 | -173.2 | 146.8 | 0 | 0 | 108.9 | ||||
| 7 | F | 42.2 | Very low | 44.7 | Very low | 196 Ų | 196 | 164.1 Ų | 164.1 | 86% | 0.86 | 82% | 0.815 | S | S | * | * | trans | -170.3 | 88.7 | 147.1 | -151.3 | -102.7 | 0 | 0 | 0 | 107.9 | ||||
| 8 | S | 42.2 | Very low | 44.7 | Very low | 83 Ų | 83 | 164.6 Ų | 164.6 | 58% | 0.58 | 81% | 0.814 | S | S | * | * | 68.9 | 117.9 | 90.7 | 72.1 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 9 | E | 45.1 | Very low | 44.5 | Very low | 189 Ų | 189 | 164.1 Ų | 164.1 | 88% | 0.883 | 82% | 0.815 | S | S | * | * | trans | -62 | 149.3 | 161.1 | -59.3 | 167.3 | 125.7 | 0 | 0 | 111.1 | ||||
| 10 | D | 50.1 | Low | 44.1 | Very low | 162 Ų | 162 | 159.9 Ų | 159.9 | 87% | 0.866 | 82% | 0.815 | S | S | * | * | -167.4 | 157 | 123.7 | -130.9 | 16.3 | 0 | 0 | 0 | 112.7 | |||||
| 11 | P | 52.3 | Low | 44 | Very low | 96 Ų | 96 | 162 Ų | 162 | 62% | 0.623 | 82% | 0.822 | S | S | * | * | trans | -104.8 | 177 | -164.2 | 43.7 | -37.5 | 0 | 0 | 0 | 112.9 | ||||
| 12 | S | 35.8 | Very low | 43.7 | Very low | 108 Ų | 108 | 154 Ų | 154 | 76% | 0.755 | 80% | 0.803 | S | S | * | * | trans | 149.7 | 126.2 | 137.2 | 56.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 13 | M | 37.4 | Very low | 43.5 | Very low | 158 Ų | 158 | 157 Ų | 157 | 78% | 0.778 | 81% | 0.812 | S | S | * | * | 179.5 | 121.6 | 115.3 | -94.7 | -162.1 | -167.8 | 0 | 0 | 112 | |||||
| 14 | M | 43.5 | Very low | 43 | Very low | 164 Ų | 164 | 153.7 Ų | 153.7 | 81% | 0.808 | 81% | 0.808 | S | S | * | * | trans | 58.9 | 109.8 | 142.2 | -61.7 | 177.4 | -179.4 | 0 | 0 | 117.7 | ||||
| 15 | R | 43.3 | Very low | 42.6 | Very low | 207 Ų | 207 | 153.9 Ų | 153.9 | 78% | 0.781 | 81% | 0.809 | S | S | * | * | cis | 57 | 114 | 46.3 | -155.5 | -179.4 | -176.6 | 174.1 | 1.7 | 115.6 | E17 | R15-E17 IonicContact NH2-OE1 3.32Š| ||
| 16 | M | 45.6 | Very low | 42.5 | Very low | 168 Ų | 168 | 149.5 Ų | 149.5 | 83% | 0.828 | 80% | 0.802 | S | S | * | * | trans | 150.5 | 107 | 142.5 | -83.1 | 171.9 | -178.1 | 0 | 0 | 108.3 | ||||
| 17 | E | 43.4 | Very low | 42.6 | Very low | 148 Ų | 148 | 146.7 Ų | 146.7 | 69% | 0.692 | 80% | 0.8 | S | S | * | * | 73.6 | 117.8 | 81.4 | -76.8 | 179.5 | -162.1 | 0 | 0 | 114.6 | R15 | R15-E17 IonicContact NH2-OE1 3.32Š| |||
| 18 | E | 44.9 | Very low | 42.5 | Very low | 172 Ų | 172 | 145.9 Ų | 145.9 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | 147.5 | 103.8 | 130 | -93.4 | -173.1 | 150.8 | 0 | 0 | 114.6 | |||||
| 19 | D | 42 | Very low | 42.3 | Very low | 156 Ų | 156 | 147.5 Ų | 147.5 | 83% | 0.834 | 81% | 0.812 | S | S | * | * | 37.9 | 134.3 | 117.1 | -35.3 | -9.6 | 0 | 0 | 0 | 121 | |||||
| 20 | G | 35.7 | Very low | 42 | Very low | 79 Ų | 79 | 142.7 Ų | 142.7 | 81% | 0.814 | 81% | 0.805 | S | S | * | * | trans | 179.4 | 87.4 | 164.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 21 | E | 43 | Very low | 41.7 | Very low | 204 Ų | 204 | 141.1 Ų | 141.1 | 95% | 0.953 | 81% | 0.807 | S | S | * | * | trans | -73.3 | 146.5 | 165.5 | -58.6 | -179.2 | 167.8 | 0 | 0 | 111 | ||||
| 22 | G | 36.6 | Very low | 40.9 | Very low | 81 Ų | 81 | 140.2 Ų | 140.2 | 84% | 0.835 | 82% | 0.815 | S | S | * | * | trans | -165.1 | 91.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 23 | N | 40.2 | Very low | 41 | Very low | 163 Ų | 163 | 142.8 Ų | 142.8 | 87% | 0.872 | 82% | 0.82 | S | S | * | * | trans | -86.1 | 137.5 | 169.9 | -145.6 | 16.9 | 0 | 0 | 0 | 108.6 | ||||
| 24 | C | 41 | Very low | 40.9 | Very low | 119 Ų | 119 | 140.6 Ų | 140.6 | 80% | 0.804 | 82% | 0.819 | S | S | * | * | trans | -149.8 | 136.5 | 158.2 | 61.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 25 | D | 36.8 | Very low | 40.9 | Very low | 149 Ų | 149 | 136.2 Ų | 136.2 | 80% | 0.797 | 82% | 0.816 | S | S | * | * | trans | -65.6 | 165.1 | -165.7 | -56.6 | -90.6 | 0 | 0 | 0 | 118.3 | ||||
| 26 | D | 42.5 | Very low | 40.7 | Very low | 149 Ų | 149 | 134.4 Ų | 134.4 | 80% | 0.797 | 82% | 0.821 | S | S | * | * | trans | -48.8 | 166.7 | 169.3 | -71.4 | -75.9 | 0 | 0 | 0 | 115.9 | ||||
| 27 | P | 50 | Low | 40.4 | Very low | 129 Ų | 129 | 135.6 Ų | 135.6 | 84% | 0.838 | 83% | 0.827 | S | S | * | * | -141.4 | 147.1 | 95.7 | 33.7 | -17 | 0 | 0 | 0 | 116.4 | |||||
| 28 | M | 40.5 | Very low | 40 | Very low | 180 Ų | 180 | 132.2 Ų | 132.2 | 89% | 0.887 | 83% | 0.831 | S | S | * | * | trans | -45.9 | 145 | 164.9 | -69.6 | 171.3 | 152.6 | 0 | 0 | 114.9 | ||||
| 29 | S | 38.9 | Very low | 39.6 | Very low | 116 Ų | 116 | 127.3 Ų | 127.3 | 81% | 0.811 | 83% | 0.827 | S | S | * | * | 169.8 | 129.4 | 99.2 | 70.7 | 0 | 0 | 0 | 0 | 115 | |||||
| 30 | A | 39 | Very low | 39.5 | Very low | 89 Ų | 89 | 128.7 Ų | 128.7 | 74% | 0.736 | 83% | 0.829 | S | S | * | * | trans | 77.5 | 116.6 | 131.5 | 0 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 31 | S | 44 | Very low | 40 | Very low | 129 Ų | 129 | 129 Ų | 129 | 90% | 0.902 | 82% | 0.824 | S | S | * | * | trans | 92.7 | 114.2 | 133 | 73.3 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 32 | G | 34.9 | Very low | 40.2 | Very low | 76 Ų | 76 | 122.3 Ų | 122.3 | 78% | 0.784 | 79% | 0.794 | S | S | * | * | trans | 169.5 | 63.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | C34 | G32-C34 PolarHBondContact O-N 3.41Š| ||
| 33 | D | 37.6 | Very low | 40.9 | Very low | 162 Ų | 162 | 120 Ų | 120 | 87% | 0.866 | 77% | 0.771 | S | S | * | * | trans | -54 | 121.8 | 169 | -177.3 | 114.6 | 0 | 0 | 0 | 111.1 | ||||
| 34 | C | 34.4 | Very low | 41.4 | Very low | 112 Ų | 112 | 116.7 Ų | 116.7 | 76% | 0.757 | 76% | 0.76 | S | S | * | * | trans | -152.7 | 105.7 | 139.1 | 59.7 | 0 | 0 | 0 | 0 | 109.5 | G32 L36 | G32-C34 PolarHBondContact O-N 3.41Å; C34-L36 PolarHBondContact O-N 3.42Å | ||
| 35 | G | 43.9 | Very low | 42 | Very low | 73 Ų | 73 | 118.6 Ų | 118.6 | 75% | 0.753 | 76% | 0.755 | S | S | * | * | trans | -61.4 | 127.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 36 | L | 39.2 | Very low | 42.9 | Very low | 169 Ų | 169 | 112 Ų | 112 | 89% | 0.885 | 72% | 0.72 | S | S | * | * | trans | -117.3 | 107.4 | 157.1 | -85.2 | 163.7 | 0 | 0 | 0 | 107.4 | C34 G38 | C34-L36 PolarHBondContact O-N 3.42Å; L36-G38 PolarHBondContact O-N 2.83Å; L36-G38 VanDerWaalsContact O-N 3.15Å | ||
| 37 | M | 38.8 | Very low | 43.5 | Very low | 193 Ų | 193 | 107.8 Ų | 107.8 | 95% | 0.951 | 70% | 0.697 | S | S | * | * | trans | -49.7 | 116.3 | 176.4 | -76.2 | -166 | 152.4 | 0 | 0 | 110.9 | G39 | M37-G39 VanDerWaalsContact C-N 3.33Å; M37-G39 PolarHBondContact O-N 3.15Å | ||
| 38 | G | 35.3 | Very low | 43.6 | Very low | 76 Ų | 76 | 103.8 Ų | 103.8 | 78% | 0.784 | 68% | 0.675 | S | S | * | * | trans | -64 | 95.2 | 162.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | L36 E40 | L36-G38 PolarHBondContact O-N 2.83Å; L36-G38 VanDerWaalsContact O-N 3.15Å; G38-E40 PolarHBondContact O-N 2.83Å; G38-E40 VanDerWaalsContact O-N 3.13Å | ||
| 39 | G | 36.5 | Very low | 43.9 | Very low | 69 Ų | 69 | 99.3 Ų | 99.3 | 71% | 0.711 | 66% | 0.662 | S | S | * | * | trans | -62.3 | 110.6 | 166.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | M37 A41 | M37-G39 VanDerWaalsContact C-N 3.33Å; M37-G39 PolarHBondContact O-N 3.15Å; G39-A41 PolarHBondContact O-N 3.08Å; G39-A41 VanDerWaalsContact O-N 3.08Å | ||
| 40 | E | 40.1 | Very low | 44.3 | Very low | 185 Ų | 185 | 99.6 Ų | 99.6 | 86% | 0.864 | 65% | 0.648 | S | S | * | * | trans | -50.2 | 116.1 | 167.3 | -63.4 | 174.4 | 137.1 | 0 | 0 | 108.2 | G38 D42 | G38-E40 PolarHBondContact O-N 2.83Å; G38-E40 VanDerWaalsContact O-N 3.13Å; E40-D42 PolarHBondContact O-N 3.13Å | ||
| 41 | A | 46.3 | Very low | 44.9 | Very low | 87 Ų | 87 | 99.6 Ų | 99.6 | 72% | 0.719 | 64% | 0.636 | S | S | * | * | trans | -70.9 | 69.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109 | G39 G43 | G39-A41 PolarHBondContact O-N 3.08Å; G39-A41 VanDerWaalsContact O-N 3.08Å; A41-G43 PolarHBondContact O-N 2.95Å | ||
| 42 | D | 48.2 | Very low | 45.4 | Very low | 62 Ų | 62 | 99.3 Ų | 99.3 | 33% | 0.332 | 62% | 0.62 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -71.6 | 102.3 | 168.1 | -178.3 | -7.3 | 0 | 0 | 0 | 106.8 | E40 K69 K73 | E40-D42 PolarHBondContact O-N 3.13Å; D42-K69 WeakPolarHBondContact O-CE 3.14Å; D42-K69 PolarHBondContact O-NZ 3.19Å; D42-K69 WeakPolarHBondContact OD1-CE 3.36Å; D42-K69 IonicContact OD1-NZ 2.74Å; D42-K69 PolarHBondContact OD1-NZ 2.78Å; D42-K73 IonicContact OD2-NZ 2.63Å; D42-K73 PolarHBondContact OD2-NZ 2.86Å |
| 43 | G | 50.3 | Low | 46.3 | Very low | 33 Ų | 33 | 103.4 Ų | 103.4 | 34% | 0.34 | 62% | 0.619 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 158.5 | -3.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | A41 D84 | A41-G43 PolarHBondContact O-N 2.95Å; G43-D84 VanDerWaalsContact C-OD2 3.3Å; G43-D84 WeakPolarHBondContact CA-OD1 3.37Å |
| 44 | S | 50.4 | Low | 47.5 | Very low | 93 Ų | 93 | 98.6 Ų | 98.6 | 65% | 0.65 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -94.4 | 0.4 | -169.3 | -46.9 | 0 | 0 | 0 | 0 | 115.5 | ||
| 45 | K | 54.9 | Low | 49.2 | Very low | 159 Ų | 159 | 100.8 Ų | 100.8 | 69% | 0.691 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -101.4 | -23.3 | -172.5 | -68.1 | -172 | 179.9 | -179.1 | 0 | 114.2 | D47 V83 D84 | K45-D47 PolarHBondContact O-N 2.68Å; K45-V83 HydrophobicContact CD-CG1 4.4Å; K45-D84 WeakPolarHBondContact CA-OD2 3.48Å; K45-D84 HydrophobicContact CB-CB 4.43Å; K45-D84 PolarHBondContact N-OD2 2.68Å |
| 46 | I | 55.5 | Low | 50.7 | Low | 11 Ų | 11 | 97.7 Ų | 97.7 | 6% | 0.056 | 56% | 0.561 | C | S | . | * | trans | -93.6 | 83.4 | 174.2 | 25.7 | 179.9 | 0 | 0 | 0 | 110.9 | A48 D84 T86 L103 | I46-A48 PolarHBondContact O-N 2.81Å; I46-A48 VanDerWaalsContact O-N 3.1Å; I46-D84 HydrophobicContact CD1-CB 3.74Å; I46-D84 HydrophobicContact CG1-CB 3.64Å; I46-D84 WeakPolarHBondContact CG1-OD2 3.3Å; I46-D84 PolarHBondContact N-OD2 2.85Å; I46-D84 VanDerWaalsContact N-OD2 3.14Å; I46-T86 WeakPolarHBondContact CD1-OG1 3.45Å; I46-T86 VanDerWaalsContact CG1-OG1 3.26Å; I46-T86 WeakPolarHBondContact CG1-OG1 3.13Å; I46-L103 HydrophobicContact CG2-CB 3.68Å; I46-L103 HydrophobicContact CG2-CD2 4.05Å; I46-L103 HydrophobicContact CG2-CG 4.35Å | ||
| 47 | D | 54.8 | Low | 52.8 | Low | 60 Ų | 60 | 90.7 Ų | 90.7 | 32% | 0.321 | 52% | 0.523 | S | S | . | . | trans | -65.1 | 109.4 | 158.2 | -78.6 | -49.8 | 0 | 0 | 0 | 108.3 | K45 S49 K50 K57 | K45-D47 PolarHBondContact O-N 2.68Å; D47-S49 PolarHBondContact O-N 3.27Å; D47-S49 VanDerWaalsContact O-N 3.15Å; D47-K50 HydrophobicContact CB-CB 3.73Å; D47-K50 HydrophobicContact CB-CD 3.94Å; D47-K50 HydrophobicContact CB-CG 3.67Å; D47-K50 PolarHBondContact O-N 2.83Å; D47-K50 WeakPolarHBondContact OD2-CD 3.47Å; D47-K50 VanDerWaalsContact OD2-CE 3.27Å; D47-K50 WeakPolarHBondContact OD2-CE 3.14Å; D47-K50 IonicContact OD2-NZ 2.83Å; D47-K50 PolarHBondContact OD2-NZ 2.94Å; D47-K57 PolarHBondContact O-NZ 3.14Å | ||
| 48 | A | 51.3 | Low | 55.1 | Low | 46 Ų | 46 | 81.5 Ų | 81.5 | 38% | 0.38 | 48% | 0.478 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -9.4 | 167.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | I46 K88 | I46-A48 PolarHBondContact O-N 2.81Å; I46-A48 VanDerWaalsContact O-N 3.1Å; A48-K88 VanDerWaalsContact CB-NZ 3.31Å |
| 49 | S | 47.8 | Very low | 57.6 | Low | 86 Ų | 86 | 80.9 Ų | 80.9 | 60% | 0.601 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.4 | -18.3 | 177.7 | 35.6 | 0 | 0 | 0 | 0 | 113.9 | D47 | D47-S49 PolarHBondContact O-N 3.27Å; D47-S49 VanDerWaalsContact O-N 3.15Å |
| 50 | K | 47.7 | Very low | 60.1 | Low | 121 Ų | 121 | 77.6 Ų | 77.6 | 53% | 0.526 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -84.3 | 123.9 | 174.6 | -77.9 | -178.8 | -179.5 | 141.1 | 0 | 109.6 | D47 E52 | D47-K50 HydrophobicContact CB-CB 3.73Å; D47-K50 HydrophobicContact CB-CD 3.94Å; D47-K50 HydrophobicContact CB-CG 3.67Å; D47-K50 PolarHBondContact O-N 2.83Å; D47-K50 WeakPolarHBondContact OD2-CD 3.47Å; D47-K50 VanDerWaalsContact OD2-CE 3.27Å; D47-K50 WeakPolarHBondContact OD2-CE 3.14Å; D47-K50 IonicContact OD2-NZ 2.83Å; D47-K50 PolarHBondContact OD2-NZ 2.94Å; K50-E52 PolarHBondContact O-N 3.18Å |
| 51 | N | 51.6 | Low | 62.4 | Low | 90 Ų | 90 | 69.1 Ų | 69.1 | 48% | 0.481 | 38% | 0.383 | S | S | . | . | trans | -76.4 | 32.8 | -178.1 | -74.1 | -21.6 | 0 | 0 | 0 | 112.7 | E53 S136 | N51-E53 PolarHBondContact O-N 2.8Å; N51-S136 WeakPolarHBondContact OD1-CB 3.45Å; N51-S136 PolarHBondContact OD1-OG 2.77Å | ||
| 52 | E | 54.1 | Low | 64.3 | Low | 122 Ų | 122 | 66.4 Ų | 66.4 | 57% | 0.57 | 36% | 0.363 | S | S | * | . | trans | -82.5 | 115.3 | 172.9 | -74.8 | 170.6 | 179.7 | 0 | 0 | 106.9 | K50 D54 | K50-E52 PolarHBondContact O-N 3.18Å; E52-D54 PolarHBondContact O-N 2.64Å | ||
| 53 | E | 54.4 | Low | 66.1 | Low | 162 Ų | 162 | 63.4 Ų | 63.4 | 76% | 0.757 | 35% | 0.347 | S | S | * | . | trans | -65.6 | 71.7 | 162.7 | -69.7 | -174.6 | 168.3 | 0 | 0 | 107.4 | N51 E55 A133 | N51-E53 PolarHBondContact O-N 2.8Å; E53-E55 PolarHBondContact O-N 3.31Å; E53-A133 HydrophobicContact CG-CB 4.22Å | ||
| 54 | D | 62.7 | Low | 67.9 | Low | 61 Ų | 61 | 62.9 Ų | 62.9 | 33% | 0.326 | 34% | 0.338 | S | S | . | . | trans | -67.6 | 107.6 | 168.9 | -72.9 | -40.8 | 0 | 0 | 0 | 105.9 | E52 G56 K57 L103 | E52-D54 PolarHBondContact O-N 2.64Å; D54-G56 PolarHBondContact O-N 3.5Å; D54-K57 HydrophobicContact CB-CB 3.9Å; D54-K57 VanDerWaalsContact O-CB 3.3Å; D54-K57 WeakPolarHBondContact O-CB 3.49Å; D54-K57 PolarHBondContact O-N 2.85Å; D54-L103 HydrophobicContact CB-CD1 3.68Å | ||
| 55 | E | 68.4 | Low | 69.5 | Low | 158 Ų | 158 | 65.1 Ų | 65.1 | 74% | 0.738 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | -19.3 | 172 | -66.3 | 179.3 | 171.3 | 0 | 0 | 111.7 | E53 P107 | E53-E55 PolarHBondContact O-N 3.31Å; E55-P107 HydrophobicContact CB-CB 3.89Å |
| 56 | G | 75.6 | Confident | 70.9 | Confident | 9 Ų | 9 | 63.9 Ų | 63.9 | 9% | 0.093 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -8.1 | 170.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | D54 F104 | D54-G56 PolarHBondContact O-N 3.5Å; G56-F104 PolarHBondContact O-N 3.15Å |
| 57 | K | 84.9 | Confident | 72.3 | Confident | 21 Ų | 21 | 63.6 Ų | 63.6 | 9% | 0.091 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 132.2 | -176.5 | -165.2 | 176.6 | -169.8 | 165.7 | 0 | 112 | D47 D54 V102 L103 A131 | D47-K57 PolarHBondContact O-NZ 3.14Å; D54-K57 HydrophobicContact CB-CB 3.9Å; D54-K57 VanDerWaalsContact O-CB 3.3Å; D54-K57 WeakPolarHBondContact O-CB 3.49Å; D54-K57 PolarHBondContact O-N 2.85Å; K57-V102 CarbonylContact C-O 3.52Å; K57-V102 WeakPolarHBondContact CA-O 3.35Å; K57-L103 HydrophobicContact CB-CD1 4.09Å; K57-A131 HydrophobicContact CB-CB 4.03Å; K57-A131 HydrophobicContact CD-CB 4.3Å; K57-A131 HydrophobicContact CG-CB 3.75Å; K57-A131 WeakPolarHBondContact O-CB 3.48Å; K57-A131 PolarHBondContact O-N 3.26Å |
| 58 | M | 86.3 | Confident | 73.8 | Confident | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 134.1 | -176.8 | -92.1 | -89.6 | -106 | 0 | 0 | 110.5 | F101 V102 F104 V110 V113 P128 | M58-F101 CarbonylContact O-C 3.46Å; M58-F101 VanDerWaalsContact O-CA 3.25Å; M58-F101 WeakPolarHBondContact O-CA 3.17Å; M58-V102 HydrophobicContact CB-CB 4.33Å; M58-V102 PolarHBondContact N-O 2.66Å; M58-V102 PolarHBondContact O-N 3.4Å; M58-F104 HydrophobicContact CB-CE2 4.29Å; M58-F104 HydrophobicContact CG-CD2 4.34Å; M58-F104 HydrophobicContact CG-CE2 4.16Å; M58-V110 HydrophobicContact CE-CG1 4.1Å; M58-V110 HydrophobicContact CG-CB 4.01Å; M58-V110 HydrophobicContact CG-CG1 3.5Å; M58-V110 HydrophobicContact CG-CG2 3.65Å; M58-V110 HydrophobicContact SD-CG1 3.67Å; M58-V113 HydrophobicContact CE-CB 3.39Å; M58-V113 HydrophobicContact CE-CG1 3.22Å; M58-V113 HydrophobicContact CE-CG2 4.25Å; M58-P128 HydrophobicContact CE-CB 3.83Å; M58-P128 HydrophobicContact SD-CB 4.42Å |
| 59 | F | 88.2 | Confident | 75.5 | Confident | 63 Ų | 63 | 64.1 Ų | 64.1 | 28% | 0.276 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 132.2 | 168.1 | 170 | -93.7 | 0 | 0 | 0 | 108.3 | F99 F101 P128 K129 A131 | F59-F99 HydrophobicContact CE2-CB 3.88Å; F59-F99 AromaticContact CE2-CD2 3.74Å; F59-F99 HydrophobicContact CE2-CD2 3.74Å; F59-F99 HydrophobicContact CE2-CG 4.08Å; F59-F99 HydrophobicContact CZ-CB 3.87Å; F59-F99 HydrophobicContact CZ-CD2 4.47Å; F59-F99 HydrophobicContact CZ-CG 4.38Å; F59-F101 HydrophobicContact CB-CD1 4.42Å; F59-F101 HydrophobicContact CB-CE1 4.28Å; F59-F101 HydrophobicContact CD2-CD1 4.41Å; F59-F101 AromaticContact CD2-CE1 3.83Å; F59-F101 HydrophobicContact CD2-CE1 3.83Å; F59-F101 HydrophobicContact CD2-CZ 4.05Å; F59-P128 CarbonylContact O-C 3.59Å; F59-P128 VanDerWaalsContact O-CA 3.3Å; F59-P128 WeakPolarHBondContact O-CA 3.09Å; F59-K129 HydrophobicContact CD1-CB 4.42Å; F59-K129 PolarHBondContact N-O 3.06Å; F59-K129 PolarHBondContact O-N 2.94Å; F59-K129 VanDerWaalsContact O-O 3.11Å; F59-A131 HydrophobicContact CB-CB 4.37Å |
| 60 | V | 88.1 | Confident | 77.4 | Confident | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 106.9 | 177.9 | -170.8 | 0 | 0 | 0 | 0 | 108.6 | L63 F76 F99 G100 V102 I126 P128 | V60-L63 HydrophobicContact CG1-CD1 4.5Å; V60-L63 HydrophobicContact CG1-CD2 3.6Å; V60-L63 HydrophobicContact CG1-CG 4.15Å; V60-F76 HydrophobicContact CB-CE2 4.35Å; V60-F76 HydrophobicContact CB-CZ 4.28Å; V60-F76 HydrophobicContact CG1-CE2 3.94Å; V60-F76 HydrophobicContact CG1-CZ 3.74Å; V60-F76 HydrophobicContact CG2-CE1 4.44Å; V60-F76 HydrophobicContact CG2-CE2 3.62Å; V60-F76 HydrophobicContact CG2-CZ 3.5Å; V60-F76 VanDerWaalsContact CG2-CZ 3.5Å; V60-F99 CarbonylContact O-C 3.56Å; V60-F99 VanDerWaalsContact O-CA 3.23Å; V60-F99 WeakPolarHBondContact O-CA 3.29Å; V60-G100 PolarHBondContact N-O 3.25Å; V60-G100 PolarHBondContact O-N 3.43Å; V60-V102 HydrophobicContact CG2-CG2 3.72Å; V60-I126 HydrophobicContact CG1-CB 4.27Å; V60-I126 HydrophobicContact CG1-CD1 4.04Å; V60-I126 HydrophobicContact CG1-CG1 4.48Å; V60-P128 HydrophobicContact CG2-CB 4.44Å |
| 61 | G | 88.5 | Confident | 79.4 | Confident | 8 Ų | 8 | 64.3 Ų | 64.3 | 8% | 0.082 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 166 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L63 I126 D127 | G61-L63 VanDerWaalsContact C-N 3.3Å; G61-L63 PolarHBondContact O-N 3.3Å; G61-I126 CarbonylContact O-C 3.52Å; G61-I126 WeakPolarHBondContact O-CA 3.48Å; G61-D127 PolarHBondContact N-O 2.98Å; G61-D127 PolarHBondContact O-N 3.12Å |
| 62 | G | 86 | Confident | 81 | Confident | 29 Ų | 29 | 60.1 Ų | 60.1 | 30% | 0.299 | 30% | 0.298 | S | S | . | . | S | Bend | trans | 76.7 | 13.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | G98 K124 | G62-G98 PolarHBondContact N-O 2.7Å; G62-G98 VanDerWaalsContact N-O 3.12Å; G62-K124 WeakPolarHBondContact O-CD 3.31Å; G62-K124 WeakPolarHBondContact O-CE 3.47Å; G62-K124 WeakPolarHBondContact O-CG 3.25Å |
| 63 | L | 87.7 | Confident | 82.7 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 29% | 0.285 | C | S | . | . | trans | -61 | 150.8 | 178 | -58.5 | 173.9 | 0 | 0 | 0 | 111.3 | V60 G61 T67 L72 L87 G98 K124 I126 | V60-L63 HydrophobicContact CG1-CD1 4.5Å; V60-L63 HydrophobicContact CG1-CD2 3.6Å; V60-L63 HydrophobicContact CG1-CG 4.15Å; G61-L63 VanDerWaalsContact C-N 3.3Å; G61-L63 PolarHBondContact O-N 3.3Å; L63-T67 HydrophobicContact CD2-CG2 4.32Å; L63-L72 HydrophobicContact CD1-CD1 3.32Å; L63-L72 HydrophobicContact CD2-CD1 3.62Å; L63-L72 HydrophobicContact CG-CD1 4.12Å; L63-L87 HydrophobicContact CD1-CD2 3.4Å; L63-L87 VanDerWaalsContact CD1-CD2 3.4Å; L63-G98 PolarHBondContact N-O 2.83Å; L63-K124 PolarHBondContact O-NZ 3.39Å; L63-I126 HydrophobicContact CD2-CB 4.34Å; L63-I126 HydrophobicContact CD2-CG2 3.78Å | ||
| 64 | S | 86.6 | Confident | 84.3 | Confident | 22 Ų | 22 | 54.7 Ų | 54.7 | 15% | 0.154 | 28% | 0.275 | C | S | . | . | trans | -70.8 | 153 | 171 | -170.5 | 0 | 0 | 0 | 0 | 110 | D66 T67 | S64-D66 PolarHBondContact O-N 3.32Å; S64-T67 WeakPolarHBondContact CA-OG1 3.15Å; S64-T67 WeakPolarHBondContact CB-OG1 3.47Å; S64-T67 PolarHBondContact N-OG1 3Å; S64-T67 VanDerWaalsContact N-OG1 3.08Å; S64-T67 VanDerWaalsContact O-CB 3.26Å; S64-T67 WeakPolarHBondContact O-CB 3.5Å; S64-T67 PolarHBondContact O-N 3.25Å; S64-T67 PolarHBondContact O-OG1 3.4Å; S64-T67 VanDerWaalsContact O-OG1 3.06Å | ||
| 65 | W | 85 | Confident | 85.5 | Confident | 140 Ų | 140 | 53.5 Ų | 53.5 | 53% | 0.53 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -28.1 | 177.5 | -62.7 | -42.1 | 0 | 0 | 0 | 112.5 | T67 R95 S96 | W65-T67 VanDerWaalsContact C-N 3.31Å; W65-R95 VanDerWaalsContact CD2-NH2 3.34Å; W65-S96 VanDerWaalsContact CD1-O 3.31Å; W65-S96 WeakPolarHBondContact O-CB 3.4Å |
| 66 | D | 84.3 | Confident | 86.4 | Confident | 132 Ų | 132 | 46 Ų | 46 | 71% | 0.706 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | 5.1 | 179 | -48.1 | -49.7 | 0 | 0 | 0 | 112.4 | S64 T68 | S64-D66 PolarHBondContact O-N 3.32Å; D66-T68 PolarHBondContact O-N 3.15Å |
| 67 | T | 84.6 | Confident | 86.9 | Confident | 5 Ų | 5 | 49 Ų | 49 | 3% | 0.031 | 25% | 0.248 | C | C | . | . | trans | -72.1 | 124.8 | 177.3 | -57.5 | 0 | 0 | 0 | 0 | 110.2 | L63 S64 W65 D71 L72 L87 L121 | L63-T67 HydrophobicContact CD2-CG2 4.32Å; S64-T67 WeakPolarHBondContact CA-OG1 3.15Å; S64-T67 WeakPolarHBondContact CB-OG1 3.47Å; S64-T67 PolarHBondContact N-OG1 3Å; S64-T67 VanDerWaalsContact N-OG1 3.08Å; S64-T67 VanDerWaalsContact O-CB 3.26Å; S64-T67 WeakPolarHBondContact O-CB 3.5Å; S64-T67 PolarHBondContact O-N 3.25Å; S64-T67 PolarHBondContact O-OG1 3.4Å; S64-T67 VanDerWaalsContact O-OG1 3.06Å; W65-T67 VanDerWaalsContact C-N 3.31Å; T67-D71 HydrophobicContact CG2-CB 4.4Å; T67-L72 HydrophobicContact CG2-CD1 4.37Å; T67-L87 VanDerWaalsContact O-CD1 3.29Å; T67-L87 WeakPolarHBondContact O-CD1 3.45Å; T67-L121 HydrophobicContact CG2-CD2 3.46Å; T67-L121 VanDerWaalsContact CG2-CD2 3.46Å | ||
| 68 | T | 87 | Confident | 87.1 | Confident | 67 Ų | 67 | 55.8 Ų | 55.8 | 41% | 0.411 | 28% | 0.278 | S | S | . | . | trans | -96.7 | 165.4 | 177 | 70 | 0 | 0 | 0 | 0 | 112.1 | D66 K70 D71 L72 | D66-T68 PolarHBondContact O-N 3.15Å; T68-K70 PolarHBondContact O-N 3.12Å; T68-D71 PolarHBondContact N-OD2 3.33Å; T68-D71 PolarHBondContact O-N 3.03Å; T68-D71 PolarHBondContact OG1-N 3.45Å; T68-D71 PolarHBondContact OG1-OD1 3.17Å; T68-D71 PolarHBondContact OG1-OD2 3.41Å; T68-L72 PolarHBondContact O-N 3.22Å | ||
| 69 | K | 86.5 | Confident | 87 | Confident | 50 Ų | 50 | 57.5 Ų | 57.5 | 22% | 0.217 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58.3 | -37.4 | 176.3 | -178.7 | -179.8 | 163.4 | 157.2 | 0 | 110.9 | D42 L72 K73 D84 C85 L87 | D42-K69 WeakPolarHBondContact O-CE 3.14Å; D42-K69 PolarHBondContact O-NZ 3.19Å; D42-K69 WeakPolarHBondContact OD1-CE 3.36Å; D42-K69 IonicContact OD1-NZ 2.74Å; D42-K69 PolarHBondContact OD1-NZ 2.78Å; K69-L72 PolarHBondContact O-N 2.79Å; K69-K73 WeakPolarHBondContact O-CB 3.35Å; K69-K73 PolarHBondContact O-N 3.33Å; K69-D84 IonicContact NZ-OD1 2.68Å; K69-D84 PolarHBondContact NZ-OD1 3.47Å; K69-C85 WeakPolarHBondContact CD-O 3.35Å; K69-C85 WeakPolarHBondContact CE-O 3.3Å; K69-C85 WeakPolarHBondContact CE-SG 3.43Å; K69-C85 HydrophobicContact CG-CB 4.42Å; K69-C85 WeakPolarHBondContact CG-SG 3.24Å; K69-C85 PolarHBondContact NZ-O 3.02Å; K69-L87 HydrophobicContact CB-CD1 4.35Å; K69-L87 VanDerWaalsContact N-CD1 3.29Å |
| 70 | K | 88.3 | Confident | 86.8 | Confident | 160 Ų | 160 | 55.1 Ų | 55.1 | 70% | 0.696 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -63.2 | -51.9 | 179.2 | -65.6 | -175.7 | 178.5 | -177 | 0 | 111.5 | T68 L72 K73 D74 | T68-K70 PolarHBondContact O-N 3.12Å; K70-L72 PolarHBondContact O-N 2.89Å; K70-L72 VanDerWaalsContact O-N 3.15Å; K70-K73 WeakPolarHBondContact O-CB 3.06Å; K70-K73 PolarHBondContact O-N 3.47Å; K70-D74 WeakPolarHBondContact O-CB 3.26Å; K70-D74 VanDerWaalsContact O-CG 3.23Å; K70-D74 PolarHBondContact O-N 3.31Å |
| 71 | D | 87.9 | Confident | 86.8 | Confident | 52 Ų | 52 | 60.2 Ų | 60.2 | 28% | 0.278 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -55.8 | -39.2 | 178.8 | -51.7 | -39.3 | 0 | 0 | 0 | 111.8 | T67 T68 Y75 L121 | T67-D71 HydrophobicContact CG2-CB 4.4Å; T68-D71 PolarHBondContact N-OD2 3.33Å; T68-D71 PolarHBondContact O-N 3.03Å; T68-D71 PolarHBondContact OG1-N 3.45Å; T68-D71 PolarHBondContact OG1-OD1 3.17Å; T68-D71 PolarHBondContact OG1-OD2 3.41Å; D71-Y75 VanDerWaalsContact O-CB 3.3Å; D71-Y75 WeakPolarHBondContact O-CB 3.27Å; D71-Y75 PolarHBondContact O-N 3.02Å; D71-L121 HydrophobicContact CB-CD2 4.45Å |
| 72 | L | 87 | Confident | 86.8 | Confident | 1 Ų | 1 | 60.3 Ų | 60.3 | 1% | 0.005 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -68.9 | -47.1 | 179.9 | -155 | 140.9 | 0 | 0 | 0 | 110.8 | L63 T67 T68 K69 K70 Y75 F76 C85 L87 V102 | L63-L72 HydrophobicContact CD1-CD1 3.32Å; L63-L72 HydrophobicContact CD2-CD1 3.62Å; L63-L72 HydrophobicContact CG-CD1 4.12Å; T67-L72 HydrophobicContact CG2-CD1 4.37Å; T68-L72 PolarHBondContact O-N 3.22Å; K69-L72 PolarHBondContact O-N 2.79Å; K70-L72 PolarHBondContact O-N 2.89Å; K70-L72 VanDerWaalsContact O-N 3.15Å; L72-Y75 PolarHBondContact O-N 2.8Å; L72-F76 HydrophobicContact CD2-CD2 3.54Å; L72-F76 HydrophobicContact CD2-CE2 3.64Å; L72-F76 HydrophobicContact CG-CD2 3.89Å; L72-F76 HydrophobicContact CG-CE2 3.76Å; L72-F76 WeakPolarHBondContact O-CD2 3.11Å; L72-F76 PolarHBondContact O-N 3.1Å; L72-C85 HydrophobicContact CD2-CB 3.97Å; L72-L87 HydrophobicContact CD1-CD2 3.69Å; L72-V102 HydrophobicContact CD2-CG2 3.11Å; L72-V102 HydrophobicContact CG-CG2 4.49Å |
| 73 | K | 87.9 | Confident | 86.8 | Confident | 66 Ų | 66 | 61.5 Ų | 61.5 | 29% | 0.287 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -57.9 | -49.3 | 174.1 | -165.4 | 177.8 | -178.5 | 178.5 | 0 | 111.4 | D42 K69 K70 Y75 F76 T77 V82 | D42-K73 IonicContact OD2-NZ 2.63Å; D42-K73 PolarHBondContact OD2-NZ 2.86Å; K69-K73 WeakPolarHBondContact O-CB 3.35Å; K69-K73 PolarHBondContact O-N 3.33Å; K70-K73 WeakPolarHBondContact O-CB 3.06Å; K70-K73 PolarHBondContact O-N 3.47Å; K73-Y75 VanDerWaalsContact C-N 3.31Å; K73-Y75 PolarHBondContact O-N 2.78Å; K73-F76 PolarHBondContact O-N 3.39Å; K73-T77 VanDerWaalsContact O-CB 3.31Å; K73-T77 WeakPolarHBondContact O-CB 3.36Å; K73-T77 PolarHBondContact O-N 2.93Å; K73-T77 PolarHBondContact O-OG1 3.01Å; K73-V82 HydrophobicContact CG-CB 4.28Å; K73-V82 HydrophobicContact CG-CG1 4.26Å |
| 74 | D | 88.9 | Confident | 86.6 | Confident | 104 Ų | 104 | 61.6 Ų | 61.6 | 56% | 0.556 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -63.4 | -38.2 | -177.3 | -66 | -19.7 | 0 | 0 | 0 | 111.7 | K70 | K70-D74 WeakPolarHBondContact O-CB 3.26Å; K70-D74 VanDerWaalsContact O-CG 3.23Å; K70-D74 PolarHBondContact O-N 3.31Å |
| 75 | Y | 87.6 | Confident | 86.6 | Confident | 37 Ų | 37 | 60.6 Ų | 60.6 | 15% | 0.145 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -67.3 | -48.4 | 175.6 | -175.9 | -97.5 | 0 | 0 | 0 | 112.2 | D71 L72 K73 T77 K78 F79 H119 K120 L121 I126 | D71-Y75 VanDerWaalsContact O-CB 3.3Å; D71-Y75 WeakPolarHBondContact O-CB 3.27Å; D71-Y75 PolarHBondContact O-N 3.02Å; L72-Y75 PolarHBondContact O-N 2.8Å; K73-Y75 VanDerWaalsContact C-N 3.31Å; K73-Y75 PolarHBondContact O-N 2.78Å; Y75-T77 VanDerWaalsContact C-N 3.34Å; Y75-T77 PolarHBondContact O-N 3.15Å; Y75-K78 WeakPolarHBondContact O-CB 3.35Å; Y75-K78 PolarHBondContact O-N 2.8Å; Y75-F79 HydrophobicContact CD1-CE2 4.29Å; Y75-F79 AromaticContact CE1-CE2 3.82Å; Y75-F79 HydrophobicContact CE1-CE2 3.82Å; Y75-H119 HydrophobicContact CE1-CB 4.25Å; Y75-H119 AromaticContact CE1-ND1 3.74Å; Y75-H119 AromaticContact CZ-ND1 3.84Å; Y75-H119 WeakPolarHBondContact OH-CB 3.34Å; Y75-H119 PolarHBondContact OH-ND1 3.36Å; Y75-K120 WeakPolarHBondContact CE2-O 2.91Å; Y75-L121 HydrophobicContact CD1-CD1 4.14Å; Y75-L121 HydrophobicContact CD2-CD1 4.27Å; Y75-L121 HydrophobicContact CG-CD1 3.73Å; Y75-I126 HydrophobicContact CD1-CD1 4.13Å; Y75-I126 HydrophobicContact CE1-CD1 3.81Å |
| 76 | F | 87 | Confident | 86.6 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -75 | -22.9 | -176.6 | -76.1 | -64 | 0 | 0 | 0 | 113.5 | V60 L72 K73 K78 F79 G80 V82 V102 F104 V113 I126 P128 | V60-F76 HydrophobicContact CB-CE2 4.35Å; V60-F76 HydrophobicContact CB-CZ 4.28Å; V60-F76 HydrophobicContact CG1-CE2 3.94Å; V60-F76 HydrophobicContact CG1-CZ 3.74Å; V60-F76 HydrophobicContact CG2-CE1 4.44Å; V60-F76 HydrophobicContact CG2-CE2 3.62Å; V60-F76 HydrophobicContact CG2-CZ 3.5Å; V60-F76 VanDerWaalsContact CG2-CZ 3.5Å; L72-F76 HydrophobicContact CD2-CD2 3.54Å; L72-F76 HydrophobicContact CD2-CE2 3.64Å; L72-F76 HydrophobicContact CG-CD2 3.89Å; L72-F76 HydrophobicContact CG-CE2 3.76Å; L72-F76 WeakPolarHBondContact O-CD2 3.11Å; L72-F76 PolarHBondContact O-N 3.1Å; K73-F76 PolarHBondContact O-N 3.39Å; F76-K78 PolarHBondContact O-N 2.8Å; F76-K78 VanDerWaalsContact O-N 3.12Å; F76-F79 HydrophobicContact CD1-CD2 4.46Å; F76-F79 PolarHBondContact O-N 2.77Å; F76-G80 PolarHBondContact O-N 3.06Å; F76-V82 HydrophobicContact CB-CG2 3.65Å; F76-V102 HydrophobicContact CB-CG1 4.36Å; F76-V102 HydrophobicContact CD2-CG2 3.75Å; F76-V102 HydrophobicContact CE2-CG2 3.95Å; F76-V102 HydrophobicContact CG-CG1 4.44Å; F76-V102 HydrophobicContact CG-CG2 4.39Å; F76-F104 HydrophobicContact CB-CE1 4.08Å; F76-F104 HydrophobicContact CB-CZ 3.74Å; F76-F104 HydrophobicContact CD1-CE2 4.44Å; F76-F104 AromaticContact CD1-CZ 3.78Å; F76-F104 HydrophobicContact CD1-CZ 3.78Å; F76-F104 HydrophobicContact CG-CZ 4.02Å; F76-V113 HydrophobicContact CD1-CG1 4.34Å; F76-V113 HydrophobicContact CD1-CG2 4.12Å; F76-V113 HydrophobicContact CE1-CG1 3.79Å; F76-V113 HydrophobicContact CE1-CG2 4.38Å; F76-I126 HydrophobicContact CE2-CD1 4.38Å; F76-I126 HydrophobicContact CZ-CD1 3.87Å; F76-P128 HydrophobicContact CE1-CB 4.3Å; F76-P128 HydrophobicContact CZ-CB 4.33Å |
| 77 | T | 87.5 | Confident | 86.8 | Confident | 73 Ų | 73 | 50.4 Ų | 50.4 | 45% | 0.448 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -58.2 | -25 | 173.5 | -61.4 | 0 | 0 | 0 | 0 | 112.5 | K73 Y75 F79 G80 | K73-T77 VanDerWaalsContact O-CB 3.31Å; K73-T77 WeakPolarHBondContact O-CB 3.36Å; K73-T77 PolarHBondContact O-N 2.93Å; K73-T77 PolarHBondContact O-OG1 3.01Å; Y75-T77 VanDerWaalsContact C-N 3.34Å; Y75-T77 PolarHBondContact O-N 3.15Å; T77-F79 PolarHBondContact O-N 3.4Å; T77-G80 VanDerWaalsContact CA-O 3.25Å; T77-G80 WeakPolarHBondContact CA-O 3.32Å |
| 78 | K | 87.3 | Confident | 86.8 | Confident | 163 Ų | 163 | 53.3 Ų | 53.3 | 71% | 0.709 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -22.7 | 175.6 | -61 | 179 | -176.6 | 179.8 | 0 | 113.8 | Y75 F76 | Y75-K78 WeakPolarHBondContact O-CB 3.35Å; Y75-K78 PolarHBondContact O-N 2.8Å; F76-K78 PolarHBondContact O-N 2.8Å; F76-K78 VanDerWaalsContact O-N 3.12Å |
| 79 | F | 84.5 | Confident | 86.9 | Confident | 36 Ų | 36 | 54.5 Ų | 54.5 | 16% | 0.158 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.6 | -19.8 | -176.9 | -58 | -78.2 | 0 | 0 | 0 | 112.6 | Y75 F76 T77 S109 V113 Q116 | Y75-F79 HydrophobicContact CD1-CE2 4.29Å; Y75-F79 AromaticContact CE1-CE2 3.82Å; Y75-F79 HydrophobicContact CE1-CE2 3.82Å; F76-F79 HydrophobicContact CD1-CD2 4.46Å; F76-F79 PolarHBondContact O-N 2.77Å; T77-F79 PolarHBondContact O-N 3.4Å; F79-S109 WeakPolarHBondContact O-CB 3.4Å; F79-S109 PolarHBondContact O-OG 3.05Å; F79-V113 HydrophobicContact CB-CG2 3.41Å; F79-V113 VanDerWaalsContact CB-CG2 3.41Å; F79-V113 HydrophobicContact CD1-CG2 4.14Å; F79-V113 HydrophobicContact CD2-CG2 3.9Å; F79-V113 HydrophobicContact CG-CG2 3.54Å; F79-Q116 HydrophobicContact CE1-CG 4.44Å; F79-Q116 VanDerWaalsContact CE1-NE2 3.35Å |
| 80 | G | 85.1 | Confident | 86.7 | Confident | 12 Ų | 12 | 54.6 Ų | 54.6 | 12% | 0.124 | 27% | 0.271 | C | S | . | . | S | Bend | trans | 176.8 | 164.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114 | F76 T77 V82 S109 | F76-G80 PolarHBondContact O-N 3.06Å; T77-G80 VanDerWaalsContact CA-O 3.25Å; T77-G80 WeakPolarHBondContact CA-O 3.32Å; G80-V82 PolarHBondContact O-N 3.03Å; G80-S109 WeakPolarHBondContact CA-OG 3.4Å |
| 81 | E | 87.3 | Confident | 86.3 | Confident | 107 Ų | 107 | 52.9 Ų | 52.9 | 50% | 0.5 | 28% | 0.276 | S | S | . | . | trans | -67.5 | 112.4 | 172.7 | -166.4 | -178.8 | 154.5 | 0 | 0 | 109.8 | F104 K105 | E81-F104 WeakPolarHBondContact O-CA 2.92Å; E81-K105 HydrophobicContact CB-CB 4.21Å; E81-K105 HydrophobicContact CB-CD 4.39Å; E81-K105 HydrophobicContact CG-CD 4.2Å; E81-K105 PolarHBondContact O-N 3.28Å; E81-K105 WeakPolarHBondContact OE1-CD 3.16Å; E81-K105 IonicContact OE1-NZ 3.84Å; E81-K105 PolarHBondContact OE1-NZ 2.78Å; E81-K105 WeakPolarHBondContact OE2-CD 3.32Å; E81-K105 IonicContact OE2-NZ 2.83Å; E81-K105 PolarHBondContact OE2-NZ 2.75Å | ||
| 82 | V | 88.4 | Confident | 85.8 | Confident | 11 Ų | 11 | 58.8 Ų | 58.8 | 7% | 0.067 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 115.6 | 176.4 | 178.5 | 0 | 0 | 0 | 0 | 108.7 | K73 F76 G80 D84 C85 V102 L103 F104 | K73-V82 HydrophobicContact CG-CB 4.28Å; K73-V82 HydrophobicContact CG-CG1 4.26Å; F76-V82 HydrophobicContact CB-CG2 3.65Å; G80-V82 PolarHBondContact O-N 3.03Å; V82-D84 WeakPolarHBondContact CG1-O 3.43Å; V82-C85 HydrophobicContact CG1-CB 4.37Å; V82-V102 HydrophobicContact CB-CG1 4.49Å; V82-V102 HydrophobicContact CG1-CG1 3.69Å; V82-V102 HydrophobicContact CG2-CG1 4.04Å; V82-L103 CarbonylContact C-O 3.58Å; V82-F104 HydrophobicContact CG2-CD1 4.07Å; V82-F104 HydrophobicContact CG2-CE1 3.71Å; V82-F104 HydrophobicContact CG2-CZ 4.37Å |
| 83 | V | 86.5 | Confident | 85.5 | Confident | 53 Ų | 53 | 63.3 Ų | 63.3 | 32% | 0.321 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | -43.4 | 176.6 | 176.7 | 0 | 0 | 0 | 0 | 110.4 | K45 L103 K105 | K45-V83 HydrophobicContact CD-CG1 4.4Å; V83-L103 HydrophobicContact CB-CD2 4.19Å; V83-L103 HydrophobicContact CB-CG 4.22Å; V83-L103 HydrophobicContact CG1-CD2 4.05Å; V83-L103 PolarHBondContact N-O 3.26Å; V83-K105 VanDerWaalsContact CG2-CA 3.49Å; V83-K105 HydrophobicContact CG2-CB 3.59Å; V83-K105 HydrophobicContact CG2-CG 4.21Å |
| 84 | D | 83.5 | Confident | 85.1 | Confident | 2 Ų | 2 | 62.5 Ų | 62.5 | 1% | 0.011 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157 | 154.7 | 179.8 | -160.3 | -11.3 | 0 | 0 | 0 | 110.6 | G43 K45 I46 K69 V82 L103 | G43-D84 VanDerWaalsContact C-OD2 3.3Å; G43-D84 WeakPolarHBondContact CA-OD1 3.37Å; K45-D84 WeakPolarHBondContact CA-OD2 3.48Å; K45-D84 HydrophobicContact CB-CB 4.43Å; K45-D84 PolarHBondContact N-OD2 2.68Å; I46-D84 HydrophobicContact CD1-CB 3.74Å; I46-D84 HydrophobicContact CG1-CB 3.64Å; I46-D84 WeakPolarHBondContact CG1-OD2 3.3Å; I46-D84 PolarHBondContact N-OD2 2.85Å; I46-D84 VanDerWaalsContact N-OD2 3.14Å; K69-D84 IonicContact NZ-OD1 2.68Å; K69-D84 PolarHBondContact NZ-OD1 3.47Å; V82-D84 WeakPolarHBondContact CG1-O 3.43Å; D84-L103 HydrophobicContact CB-CB 4.41Å; D84-L103 PolarHBondContact N-O 3.37Å; D84-L103 PolarHBondContact O-N 2.74Å |
| 85 | C | 86.4 | Confident | 84.7 | Confident | 1 Ų | 1 | 63.7 Ų | 63.7 | 1% | 0.007 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 139.5 | 170.7 | 50.2 | 0 | 0 | 0 | 0 | 111.5 | K69 L72 V82 F101 V102 | K69-C85 WeakPolarHBondContact CD-O 3.35Å; K69-C85 WeakPolarHBondContact CE-O 3.3Å; K69-C85 WeakPolarHBondContact CE-SG 3.43Å; K69-C85 HydrophobicContact CG-CB 4.42Å; K69-C85 WeakPolarHBondContact CG-SG 3.24Å; K69-C85 PolarHBondContact NZ-O 3.02Å; L72-C85 HydrophobicContact CD2-CB 3.97Å; V82-C85 HydrophobicContact CG1-CB 4.37Å; C85-F101 CarbonylContact C-O 3.52Å; C85-F101 VanDerWaalsContact CA-O 3.32Å; C85-F101 WeakPolarHBondContact CA-O 3.26Å; C85-V102 HydrophobicContact CB-CG2 4.24Å |
| 86 | T | 85.8 | Confident | 84.6 | Confident | 28 Ų | 28 | 62.2 Ų | 62.2 | 17% | 0.172 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 122.6 | -175.4 | -74.9 | 0 | 0 | 0 | 0 | 109 | I46 K88 G100 F101 | I46-T86 WeakPolarHBondContact CD1-OG1 3.45Å; I46-T86 VanDerWaalsContact CG1-OG1 3.26Å; I46-T86 WeakPolarHBondContact CG1-OG1 3.13Å; T86-K88 HydrophobicContact CG2-CD 4.37Å; T86-G100 CarbonylContact O-C 3.49Å; T86-G100 WeakPolarHBondContact O-CA 3.43Å; T86-F101 PolarHBondContact N-O 2.92Å; T86-F101 PolarHBondContact O-N 3.39Å |
| 87 | L | 88.3 | Confident | 84.4 | Confident | 30 Ų | 30 | 69.6 Ų | 69.6 | 16% | 0.157 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 135.9 | 171 | -71.4 | 173.7 | 0 | 0 | 0 | 109.9 | L63 T67 K69 L72 L89 | L63-L87 HydrophobicContact CD1-CD2 3.4Å; L63-L87 VanDerWaalsContact CD1-CD2 3.4Å; T67-L87 VanDerWaalsContact O-CD1 3.29Å; T67-L87 WeakPolarHBondContact O-CD1 3.45Å; K69-L87 HydrophobicContact CB-CD1 4.35Å; K69-L87 VanDerWaalsContact N-CD1 3.29Å; L72-L87 HydrophobicContact CD1-CD2 3.69Å; L87-L89 HydrophobicContact CB-CD2 4.35Å; L87-L89 PolarHBondContact O-N 3.41Å |
| 88 | K | 85.1 | Confident | 84.3 | Confident | 66 Ų | 66 | 66.6 Ų | 66.6 | 29% | 0.287 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 107.1 | 171.2 | -66.3 | -55 | -174 | -173.5 | 0 | 108.7 | A48 T86 R97 F99 F101 | A48-K88 VanDerWaalsContact CB-NZ 3.31Å; T86-K88 HydrophobicContact CG2-CD 4.37Å; K88-R97 VanDerWaalsContact O-CB 3.24Å; K88-R97 WeakPolarHBondContact O-CB 3.2Å; K88-R97 WeakPolarHBondContact O-CG 3.45Å; K88-R97 PolarHBondContact O-N 2.77Å; K88-F99 HydrophobicContact CB-CD2 4.06Å; K88-F99 HydrophobicContact CB-CE1 4.47Å; K88-F99 HydrophobicContact CB-CE2 3.55Å; K88-F99 HydrophobicContact CB-CZ 3.77Å; K88-F99 HydrophobicContact CG-CD2 4.15Å; K88-F99 HydrophobicContact CG-CE2 3.55Å; K88-F99 HydrophobicContact CG-CZ 4.17Å; K88-F99 PolarHBondContact N-O 3.02Å; K88-F99 VanDerWaalsContact N-O 3.14Å; K88-F101 HydrophobicContact CG-CD2 4.43Å; K88-F101 HydrophobicContact CG-CE2 4.15Å |
| 89 | L | 87.3 | Confident | 84.3 | Confident | 93 Ų | 93 | 60.9 Ų | 60.9 | 49% | 0.487 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 152.2 | 173 | -50.8 | 174.6 | 0 | 0 | 0 | 109.2 | L87 R95 S96 | L87-L89 HydrophobicContact CB-CD2 4.35Å; L87-L89 PolarHBondContact O-N 3.41Å; L89-R95 CarbonylContact C-O 3.56Å; L89-R95 WeakPolarHBondContact CA-O 3.32Å; L89-S96 VanDerWaalsContact CD2-CA 3.48Å |
| 90 | D | 83.4 | Confident | 84.6 | Confident | 52 Ų | 52 | 59.1 Ų | 59.1 | 28% | 0.278 | 31% | 0.314 | S | S | . | . | trans | -70.4 | 122.4 | 170.8 | 176.4 | 1.6 | 0 | 0 | 0 | 109 | M92 T93 G94 R95 R97 | D90-M92 PolarHBondContact O-N 3.06Å; D90-M92 PolarHBondContact OD1-N 3.01Å; D90-T93 WeakPolarHBondContact CB-OG1 3.47Å; D90-T93 VanDerWaalsContact CG-OG1 3.27Å; D90-T93 PolarHBondContact OD2-OG1 2.87Å; D90-G94 VanDerWaalsContact O-CA 3.24Å; D90-G94 WeakPolarHBondContact O-CA 3.47Å; D90-G94 PolarHBondContact O-N 3.35Å; D90-R95 PolarHBondContact N-O 2.9Å; D90-R97 HydrophobicContact CB-CG 4.32Å | ||
| 91 | P | 78.7 | Confident | 84.8 | Confident | 124 Ų | 124 | 59.6 Ų | 59.6 | 81% | 0.805 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -22.4 | -178.3 | 26.2 | -35.4 | 0 | 0 | 0 | 113.8 | ||
| 92 | M | 77.5 | Confident | 84.9 | Confident | 175 Ų | 175 | 54.5 Ų | 54.5 | 86% | 0.862 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | -38.8 | -178.8 | -64.4 | -171 | 72.6 | 0 | 0 | 112.9 | D90 | D90-M92 PolarHBondContact O-N 3.06Å; D90-M92 PolarHBondContact OD1-N 3.01Å |
| 93 | T | 82.5 | Confident | 84.8 | Confident | 96 Ų | 96 | 55 Ų | 55 | 59% | 0.589 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.1 | -9.5 | -174.2 | 64 | 0 | 0 | 0 | 0 | 113.7 | D90 R95 | D90-T93 WeakPolarHBondContact CB-OG1 3.47Å; D90-T93 VanDerWaalsContact CG-OG1 3.27Å; D90-T93 PolarHBondContact OD2-OG1 2.87Å; T93-R95 PolarHBondContact O-N 3.46Å; T93-R95 VanDerWaalsContact O-N 3.07Å; T93-R95 WeakPolarHBondContact OG1-CB 3.3Å; T93-R95 PolarHBondContact OG1-N 2.98Å |
| 94 | G | 79.6 | Confident | 85 | Confident | 50 Ų | 50 | 52.7 Ų | 52.7 | 52% | 0.515 | 28% | 0.276 | S | S | . | . | trans | 66.9 | -0.2 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | D90 | D90-G94 VanDerWaalsContact O-CA 3.24Å; D90-G94 WeakPolarHBondContact O-CA 3.47Å; D90-G94 PolarHBondContact O-N 3.35Å | ||
| 95 | R | 80.3 | Confident | 85.1 | Confident | 128 Ų | 128 | 58 Ų | 58 | 48% | 0.483 | 30% | 0.3 | S | S | . | . | trans | -76.2 | 141.7 | -174.9 | -165.3 | 179.7 | -167.6 | 175.8 | 10.1 | 110.8 | W65 L89 D90 T93 R97 | W65-R95 VanDerWaalsContact CD2-NH2 3.34Å; L89-R95 CarbonylContact C-O 3.56Å; L89-R95 WeakPolarHBondContact CA-O 3.32Å; D90-R95 PolarHBondContact N-O 2.9Å; T93-R95 PolarHBondContact O-N 3.46Å; T93-R95 VanDerWaalsContact O-N 3.07Å; T93-R95 WeakPolarHBondContact OG1-CB 3.3Å; T93-R95 PolarHBondContact OG1-N 2.98Å; R95-R97 PolarHBondContact O-N 2.99Å | ||
| 96 | S | 84.6 | Confident | 85.1 | Confident | 7 Ų | 7 | 61.9 Ų | 61.9 | 5% | 0.049 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60 | 131.3 | 173 | 178.2 | 0 | 0 | 0 | 0 | 111.2 | W65 L89 G98 | W65-S96 VanDerWaalsContact CD1-O 3.31Å; W65-S96 WeakPolarHBondContact O-CB 3.4Å; L89-S96 VanDerWaalsContact CD2-CA 3.48Å; S96-G98 PolarHBondContact O-N 3.16Å; S96-G98 PolarHBondContact OG-N 3.49Å |
| 97 | R | 83.1 | Confident | 85 | Confident | 154 Ų | 154 | 63.3 Ų | 63.3 | 58% | 0.581 | 33% | 0.33 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 2 | 174.1 | -60.1 | 177.8 | 64.7 | -178.3 | -1.8 | 112.2 | K88 D90 R95 F99 | K88-R97 VanDerWaalsContact O-CB 3.24Å; K88-R97 WeakPolarHBondContact O-CB 3.2Å; K88-R97 WeakPolarHBondContact O-CG 3.45Å; K88-R97 PolarHBondContact O-N 2.77Å; D90-R97 HydrophobicContact CB-CG 4.32Å; R95-R97 PolarHBondContact O-N 2.99Å; R97-F99 VanDerWaalsContact C-N 3.31Å; R97-F99 HydrophobicContact CB-CD1 3.7Å; R97-F99 HydrophobicContact CB-CE1 3.39Å; R97-F99 HydrophobicContact CB-CZ 4.24Å; R97-F99 HydrophobicContact CG-CE1 4.31Å; R97-F99 WeakPolarHBondContact O-CD1 3.29Å |
| 98 | G | 85.1 | Confident | 85 | Confident | 11 Ų | 11 | 67.9 Ų | 67.9 | 11% | 0.113 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 76.2 | 18.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | G62 L63 S96 | G62-G98 PolarHBondContact N-O 2.7Å; G62-G98 VanDerWaalsContact N-O 3.12Å; L63-G98 PolarHBondContact N-O 2.83Å; S96-G98 PolarHBondContact O-N 3.16Å; S96-G98 PolarHBondContact OG-N 3.49Å |
| 99 | F | 88.2 | Confident | 85 | Confident | 42 Ų | 42 | 65.1 Ų | 65.1 | 18% | 0.184 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 156.8 | 173.5 | 69.8 | -90.3 | 0 | 0 | 0 | 112 | F59 V60 K88 R97 F101 | F59-F99 HydrophobicContact CE2-CB 3.88Å; F59-F99 AromaticContact CE2-CD2 3.74Å; F59-F99 HydrophobicContact CE2-CD2 3.74Å; F59-F99 HydrophobicContact CE2-CG 4.08Å; F59-F99 HydrophobicContact CZ-CB 3.87Å; F59-F99 HydrophobicContact CZ-CD2 4.47Å; F59-F99 HydrophobicContact CZ-CG 4.38Å; V60-F99 CarbonylContact O-C 3.56Å; V60-F99 VanDerWaalsContact O-CA 3.23Å; V60-F99 WeakPolarHBondContact O-CA 3.29Å; K88-F99 HydrophobicContact CB-CD2 4.06Å; K88-F99 HydrophobicContact CB-CE1 4.47Å; K88-F99 HydrophobicContact CB-CE2 3.55Å; K88-F99 HydrophobicContact CB-CZ 3.77Å; K88-F99 HydrophobicContact CG-CD2 4.15Å; K88-F99 HydrophobicContact CG-CE2 3.55Å; K88-F99 HydrophobicContact CG-CZ 4.17Å; K88-F99 PolarHBondContact N-O 3.02Å; K88-F99 VanDerWaalsContact N-O 3.14Å; R97-F99 VanDerWaalsContact C-N 3.31Å; R97-F99 HydrophobicContact CB-CD1 3.7Å; R97-F99 HydrophobicContact CB-CE1 3.39Å; R97-F99 HydrophobicContact CB-CZ 4.24Å; R97-F99 HydrophobicContact CG-CE1 4.31Å; R97-F99 WeakPolarHBondContact O-CD1 3.29Å; F99-F101 HydrophobicContact CE2-CE2 4.49Å |
| 100 | G | 89.6 | Confident | 84.8 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | -177.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | V60 T86 | V60-G100 PolarHBondContact N-O 3.25Å; V60-G100 PolarHBondContact O-N 3.43Å; T86-G100 CarbonylContact O-C 3.49Å; T86-G100 WeakPolarHBondContact O-CA 3.43Å |
| 101 | F | 89.6 | Confident | 84.9 | Confident | 22 Ų | 22 | 63.3 Ų | 63.3 | 10% | 0.096 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 144.1 | 176.5 | -62.5 | -86.2 | 0 | 0 | 0 | 109.8 | M58 F59 C85 T86 K88 F99 A131 | M58-F101 CarbonylContact O-C 3.46Å; M58-F101 VanDerWaalsContact O-CA 3.25Å; M58-F101 WeakPolarHBondContact O-CA 3.17Å; F59-F101 HydrophobicContact CB-CD1 4.42Å; F59-F101 HydrophobicContact CB-CE1 4.28Å; F59-F101 HydrophobicContact CD2-CD1 4.41Å; F59-F101 AromaticContact CD2-CE1 3.83Å; F59-F101 HydrophobicContact CD2-CE1 3.83Å; F59-F101 HydrophobicContact CD2-CZ 4.05Å; C85-F101 CarbonylContact C-O 3.52Å; C85-F101 VanDerWaalsContact CA-O 3.32Å; C85-F101 WeakPolarHBondContact CA-O 3.26Å; T86-F101 PolarHBondContact N-O 2.92Å; T86-F101 PolarHBondContact O-N 3.39Å; K88-F101 HydrophobicContact CG-CD2 4.43Å; K88-F101 HydrophobicContact CG-CE2 4.15Å; F99-F101 HydrophobicContact CE2-CE2 4.49Å; F101-A131 HydrophobicContact CD1-CB 4.47Å |
| 102 | V | 88.7 | Confident | 85.2 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 136.4 | 175.2 | -175.5 | 0 | 0 | 0 | 0 | 107.7 | K57 M58 V60 L72 F76 V82 C85 F104 | K57-V102 CarbonylContact C-O 3.52Å; K57-V102 WeakPolarHBondContact CA-O 3.35Å; M58-V102 HydrophobicContact CB-CB 4.33Å; M58-V102 PolarHBondContact N-O 2.66Å; M58-V102 PolarHBondContact O-N 3.4Å; V60-V102 HydrophobicContact CG2-CG2 3.72Å; L72-V102 HydrophobicContact CD2-CG2 3.11Å; L72-V102 HydrophobicContact CG-CG2 4.49Å; F76-V102 HydrophobicContact CB-CG1 4.36Å; F76-V102 HydrophobicContact CD2-CG2 3.75Å; F76-V102 HydrophobicContact CE2-CG2 3.95Å; F76-V102 HydrophobicContact CG-CG1 4.44Å; F76-V102 HydrophobicContact CG-CG2 4.39Å; V82-V102 HydrophobicContact CB-CG1 4.49Å; V82-V102 HydrophobicContact CG1-CG1 3.69Å; V82-V102 HydrophobicContact CG2-CG1 4.04Å; C85-V102 HydrophobicContact CB-CG2 4.24Å; V102-F104 HydrophobicContact CB-CE2 4.38Å; V102-F104 HydrophobicContact CG1-CD2 4.13Å; V102-F104 HydrophobicContact CG1-CE2 3.81Å; V102-F104 HydrophobicContact CG1-CZ 4.07Å |
| 103 | L | 87.7 | Confident | 85.6 | Confident | 20 Ų | 20 | 54.5 Ų | 54.5 | 11% | 0.105 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 116.8 | 171.2 | -177.2 | 67.3 | 0 | 0 | 0 | 108.1 | I46 D54 K57 V82 V83 D84 | I46-L103 HydrophobicContact CG2-CB 3.68Å; I46-L103 HydrophobicContact CG2-CD2 4.05Å; I46-L103 HydrophobicContact CG2-CG 4.35Å; D54-L103 HydrophobicContact CB-CD1 3.68Å; K57-L103 HydrophobicContact CB-CD1 4.09Å; V82-L103 CarbonylContact C-O 3.58Å; V83-L103 HydrophobicContact CB-CD2 4.19Å; V83-L103 HydrophobicContact CB-CG 4.22Å; V83-L103 HydrophobicContact CG1-CD2 4.05Å; V83-L103 PolarHBondContact N-O 3.26Å; D84-L103 HydrophobicContact CB-CB 4.41Å; D84-L103 PolarHBondContact N-O 3.37Å; D84-L103 PolarHBondContact O-N 2.74Å |
| 104 | F | 89.1 | Confident | 85.7 | Confident | 5 Ų | 5 | 52.3 Ų | 52.3 | 2% | 0.022 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 152.1 | 169.9 | -71 | -81.8 | 0 | 0 | 0 | 110.5 | G56 M58 F76 E81 V82 V102 N106 V110 V113 | G56-F104 PolarHBondContact O-N 3.15Å; M58-F104 HydrophobicContact CB-CE2 4.29Å; M58-F104 HydrophobicContact CG-CD2 4.34Å; M58-F104 HydrophobicContact CG-CE2 4.16Å; F76-F104 HydrophobicContact CB-CE1 4.08Å; F76-F104 HydrophobicContact CB-CZ 3.74Å; F76-F104 HydrophobicContact CD1-CE2 4.44Å; F76-F104 AromaticContact CD1-CZ 3.78Å; F76-F104 HydrophobicContact CD1-CZ 3.78Å; F76-F104 HydrophobicContact CG-CZ 4.02Å; E81-F104 WeakPolarHBondContact O-CA 2.92Å; V82-F104 HydrophobicContact CG2-CD1 4.07Å; V82-F104 HydrophobicContact CG2-CE1 3.71Å; V82-F104 HydrophobicContact CG2-CZ 4.37Å; V102-F104 HydrophobicContact CB-CE2 4.38Å; V102-F104 HydrophobicContact CG1-CD2 4.13Å; V102-F104 HydrophobicContact CG1-CE2 3.81Å; V102-F104 HydrophobicContact CG1-CZ 4.07Å; F104-N106 WeakPolarHBondContact CB-O 3.25Å; F104-V110 HydrophobicContact CB-CG2 4.31Å; F104-V110 HydrophobicContact CD2-CG2 3.66Å; F104-V110 HydrophobicContact CE2-CG2 4.4Å; F104-V110 HydrophobicContact CG-CG2 4.32Å; F104-V113 HydrophobicContact CZ-CG2 4.09Å |
| 105 | K | 87.2 | Confident | 85.8 | Confident | 115 Ų | 115 | 54.7 Ų | 54.7 | 50% | 0.5 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -69.6 | -37.9 | 172.9 | -169.6 | 175.8 | -179 | 176.3 | 0 | 111.8 | E81 V83 | E81-K105 HydrophobicContact CB-CB 4.21Å; E81-K105 HydrophobicContact CB-CD 4.39Å; E81-K105 HydrophobicContact CG-CD 4.2Å; E81-K105 PolarHBondContact O-N 3.28Å; E81-K105 WeakPolarHBondContact OE1-CD 3.16Å; E81-K105 IonicContact OE1-NZ 3.84Å; E81-K105 PolarHBondContact OE1-NZ 2.78Å; E81-K105 WeakPolarHBondContact OE2-CD 3.32Å; E81-K105 IonicContact OE2-NZ 2.83Å; E81-K105 PolarHBondContact OE2-NZ 2.75Å; V83-K105 VanDerWaalsContact CG2-CA 3.49Å; V83-K105 HydrophobicContact CG2-CB 3.59Å; V83-K105 HydrophobicContact CG2-CG 4.21Å |
| 106 | N | 85.4 | Confident | 85.9 | Confident | 82 Ų | 82 | 52.7 Ų | 52.7 | 44% | 0.439 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -115.3 | 133.3 | -177.9 | -62.8 | -26.5 | 0 | 0 | 0 | 110 | F104 E108 S109 | F104-N106 WeakPolarHBondContact CB-O 3.25Å; N106-E108 PolarHBondContact O-N 2.86Å; N106-S109 WeakPolarHBondContact O-CB 3.4Å; N106-S109 PolarHBondContact O-N 2.88Å |
| 107 | P | 84.6 | Confident | 85.2 | Confident | 57 Ų | 57 | 62.2 Ų | 62.2 | 37% | 0.37 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -66.5 | -24.4 | 176.2 | 27.6 | -34.4 | 0 | 0 | 0 | 112.3 | E55 S109 V110 E111 | E55-P107 HydrophobicContact CB-CB 3.89Å; P107-S109 PolarHBondContact O-N 3.32Å; P107-V110 VanDerWaalsContact O-CB 3.24Å; P107-V110 WeakPolarHBondContact O-CB 3.28Å; P107-V110 PolarHBondContact O-N 2.63Å; P107-E111 PolarHBondContact O-N 2.99Å |
| 108 | E | 86.8 | Confident | 85.1 | Confident | 127 Ų | 127 | 61 Ų | 61 | 59% | 0.593 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -58.6 | -33.3 | 174.8 | -63 | -171.6 | 172.7 | 0 | 0 | 113.1 | N106 V110 E111 K112 | N106-E108 PolarHBondContact O-N 2.86Å; E108-V110 VanDerWaalsContact C-N 3.27Å; E108-V110 PolarHBondContact O-N 3.32Å; E108-E111 PolarHBondContact O-N 3.2Å; E108-K112 WeakPolarHBondContact O-CG 3.3Å; E108-K112 PolarHBondContact O-N 2.97Å |
| 109 | S | 85.8 | Confident | 85 | Confident | 7 Ų | 7 | 60.6 Ų | 60.6 | 5% | 0.049 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65.8 | -34.4 | 177.6 | -65.3 | 0 | 0 | 0 | 0 | 111.5 | F79 G80 N106 P107 E111 K112 V113 | F79-S109 WeakPolarHBondContact O-CB 3.4Å; F79-S109 PolarHBondContact O-OG 3.05Å; G80-S109 WeakPolarHBondContact CA-OG 3.4Å; N106-S109 WeakPolarHBondContact O-CB 3.4Å; N106-S109 PolarHBondContact O-N 2.88Å; P107-S109 PolarHBondContact O-N 3.32Å; S109-E111 VanDerWaalsContact C-N 3.3Å; S109-E111 PolarHBondContact O-N 3.08Å; S109-K112 PolarHBondContact O-N 2.81Å; S109-V113 WeakPolarHBondContact O-CG2 3.36Å; S109-V113 PolarHBondContact O-N 2.79Å; S109-V113 VanDerWaalsContact O-N 3.12Å |
| 110 | V | 83.6 | Confident | 84.8 | Confident | 2 Ų | 2 | 64.5 Ų | 64.5 | 1% | 0.012 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.8 | -41.4 | 173 | 173.3 | 0 | 0 | 0 | 0 | 110.7 | M58 F104 P107 E108 V113 A114 K130 | M58-V110 HydrophobicContact CE-CG1 4.1Å; M58-V110 HydrophobicContact CG-CB 4.01Å; M58-V110 HydrophobicContact CG-CG1 3.5Å; M58-V110 HydrophobicContact CG-CG2 3.65Å; M58-V110 HydrophobicContact SD-CG1 3.67Å; F104-V110 HydrophobicContact CB-CG2 4.31Å; F104-V110 HydrophobicContact CD2-CG2 3.66Å; F104-V110 HydrophobicContact CE2-CG2 4.4Å; F104-V110 HydrophobicContact CG-CG2 4.32Å; P107-V110 VanDerWaalsContact O-CB 3.24Å; P107-V110 WeakPolarHBondContact O-CB 3.28Å; P107-V110 PolarHBondContact O-N 2.63Å; E108-V110 VanDerWaalsContact C-N 3.27Å; E108-V110 PolarHBondContact O-N 3.32Å; V110-V113 PolarHBondContact O-N 3.35Å; V110-A114 VanDerWaalsContact O-CB 3.3Å; V110-A114 WeakPolarHBondContact O-CB 3.11Å; V110-A114 PolarHBondContact O-N 3.26Å; V110-K130 HydrophobicContact CG1-CD 4.46Å; V110-K130 HydrophobicContact CG1-CG 3.85Å |
| 111 | E | 84.9 | Confident | 84.5 | Confident | 105 Ų | 105 | 64.9 Ų | 64.9 | 49% | 0.491 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -70.5 | -37.1 | -179.8 | -51.9 | -152.7 | 135.4 | 0 | 0 | 112.6 | P107 E108 S109 A114 S115 K130 | P107-E111 PolarHBondContact O-N 2.99Å; E108-E111 PolarHBondContact O-N 3.2Å; S109-E111 VanDerWaalsContact C-N 3.3Å; S109-E111 PolarHBondContact O-N 3.08Å; E111-A114 PolarHBondContact O-N 3.44Å; E111-S115 VanDerWaalsContact O-CB 3.29Å; E111-S115 WeakPolarHBondContact O-CB 3.39Å; E111-S115 PolarHBondContact O-N 3.12Å; E111-S115 PolarHBondContact O-OG 2.92Å; E111-K130 IonicContact OE1-NZ 2.81Å; E111-K130 PolarHBondContact OE1-NZ 2.86Å |
| 112 | K | 85.9 | Confident | 84 | Confident | 115 Ų | 115 | 68.1 Ų | 68.1 | 50% | 0.5 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62.3 | -43.2 | 174.4 | -71.6 | 172.5 | -173.3 | 170.1 | 0 | 111.8 | E108 S109 S115 | E108-K112 WeakPolarHBondContact O-CG 3.3Å; E108-K112 PolarHBondContact O-N 2.97Å; S109-K112 PolarHBondContact O-N 2.81Å; K112-S115 PolarHBondContact O-N 3.14Å |
| 113 | V | 85.6 | Confident | 83.5 | Confident | 0 Ų | 0 | 72.2 Ų | 72.2 | 0% | 0 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -66.4 | -48.9 | 174.5 | 177.4 | 0 | 0 | 0 | 0 | 109.8 | M58 F76 F79 F104 S109 V110 S115 Q116 H119 P128 | M58-V113 HydrophobicContact CE-CB 3.39Å; M58-V113 HydrophobicContact CE-CG1 3.22Å; M58-V113 HydrophobicContact CE-CG2 4.25Å; F76-V113 HydrophobicContact CD1-CG1 4.34Å; F76-V113 HydrophobicContact CD1-CG2 4.12Å; F76-V113 HydrophobicContact CE1-CG1 3.79Å; F76-V113 HydrophobicContact CE1-CG2 4.38Å; F79-V113 HydrophobicContact CB-CG2 3.41Å; F79-V113 VanDerWaalsContact CB-CG2 3.41Å; F79-V113 HydrophobicContact CD1-CG2 4.14Å; F79-V113 HydrophobicContact CD2-CG2 3.9Å; F79-V113 HydrophobicContact CG-CG2 3.54Å; F104-V113 HydrophobicContact CZ-CG2 4.09Å; S109-V113 WeakPolarHBondContact O-CG2 3.36Å; S109-V113 PolarHBondContact O-N 2.79Å; S109-V113 VanDerWaalsContact O-N 3.12Å; V110-V113 PolarHBondContact O-N 3.35Å; V113-S115 PolarHBondContact O-N 3.2Å; V113-S115 VanDerWaalsContact O-N 3.16Å; V113-Q116 WeakPolarHBondContact O-CB 3.42Å; V113-Q116 PolarHBondContact O-N 3.36Å; V113-H119 WeakPolarHBondContact CG1-NE2 3.41Å; V113-H119 PolarHBondContact O-NE2 3.06Å; V113-P128 HydrophobicContact CG1-CB 3.66Å; V113-P128 HydrophobicContact CG1-CG 3.49Å; V113-P128 VanDerWaalsContact CG1-CG 3.49Å |
| 114 | A | 83.4 | Confident | 83.3 | Confident | 50 Ų | 50 | 75.2 Ų | 75.2 | 41% | 0.413 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -63 | -24.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | V110 E111 Q116 | V110-A114 VanDerWaalsContact O-CB 3.3Å; V110-A114 WeakPolarHBondContact O-CB 3.11Å; V110-A114 PolarHBondContact O-N 3.26Å; E111-A114 PolarHBondContact O-N 3.44Å; A114-Q116 VanDerWaalsContact C-N 3.3Å |
| 115 | S | 83.4 | Confident | 83.1 | Confident | 99 Ų | 99 | 78.9 Ų | 78.9 | 69% | 0.692 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -73.2 | -22.6 | 175 | -62.8 | 0 | 0 | 0 | 0 | 112.7 | E111 K112 V113 | E111-S115 VanDerWaalsContact O-CB 3.29Å; E111-S115 WeakPolarHBondContact O-CB 3.39Å; E111-S115 PolarHBondContact O-N 3.12Å; E111-S115 PolarHBondContact O-OG 2.92Å; K112-S115 PolarHBondContact O-N 3.14Å; V113-S115 PolarHBondContact O-N 3.2Å; V113-S115 VanDerWaalsContact O-N 3.16Å |
| 116 | Q | 81.8 | Confident | 83.2 | Confident | 86 Ų | 86 | 73.6 Ų | 73.6 | 40% | 0.402 | 40% | 0.396 | S | S | . | . | trans | -78.4 | 126.1 | 172.8 | -73.8 | -164.3 | -17.5 | 0 | 0 | 110.2 | F79 V113 A114 H119 | F79-Q116 HydrophobicContact CE1-CG 4.44Å; F79-Q116 VanDerWaalsContact CE1-NE2 3.35Å; V113-Q116 WeakPolarHBondContact O-CB 3.42Å; V113-Q116 PolarHBondContact O-N 3.36Å; A114-Q116 VanDerWaalsContact C-N 3.3Å; Q116-H119 VanDerWaalsContact CB-CE1 3.45Å; Q116-H119 WeakPolarHBondContact CB-CE1 3.37Å; Q116-H119 WeakPolarHBondContact CB-NE2 3.24Å; Q116-H119 PolarHBondContact OE1-CE1 3.39Å; Q116-H119 PolarHBondContact OE1-ND1 3.05Å | ||
| 117 | K | 69.6 | Low | 83.2 | Confident | 207 Ų | 207 | 74.7 Ų | 74.7 | 90% | 0.9 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -74.8 | -26.9 | -177.7 | -79.8 | -175.8 | 174.9 | 178.4 | 0 | 114 | ||
| 118 | E | 81.1 | Confident | 83.2 | Confident | 129 Ų | 129 | 72.6 Ų | 72.6 | 60% | 0.603 | 39% | 0.388 | S | S | * | . | trans | -139.7 | 126.4 | -178.7 | -68.4 | -168.3 | 170.3 | 0 | 0 | 110.7 | K120 | E118-K120 IonicContact OE2-NZ 2.8Š| ||
| 119 | H | 83.4 | Confident | 83.2 | Confident | 2 Ų | 2 | 72.1 Ų | 72.1 | 1% | 0.009 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 137.5 | 170.5 | -66.1 | -85 | 0 | 0 | 0 | 109.1 | Y75 V113 Q116 V125 I126 P128 | Y75-H119 HydrophobicContact CE1-CB 4.25Å; Y75-H119 AromaticContact CE1-ND1 3.74Å; Y75-H119 AromaticContact CZ-ND1 3.84Å; Y75-H119 WeakPolarHBondContact OH-CB 3.34Å; Y75-H119 PolarHBondContact OH-ND1 3.36Å; V113-H119 WeakPolarHBondContact CG1-NE2 3.41Å; V113-H119 PolarHBondContact O-NE2 3.06Å; Q116-H119 VanDerWaalsContact CB-CE1 3.45Å; Q116-H119 WeakPolarHBondContact CB-CE1 3.37Å; Q116-H119 WeakPolarHBondContact CB-NE2 3.24Å; Q116-H119 PolarHBondContact OE1-CE1 3.39Å; Q116-H119 PolarHBondContact OE1-ND1 3.05Å; H119-V125 CarbonylContact O-C 3.6Å; H119-V125 VanDerWaalsContact O-CA 3.3Å; H119-V125 WeakPolarHBondContact O-CA 3.22Å; H119-I126 HydrophobicContact CB-CD1 3.76Å; H119-I126 HydrophobicContact CB-CG1 3.2Å; H119-I126 PolarHBondContact O-N 3.23Å; H119-P128 HydrophobicContact CB-CG 4.47Å; H119-P128 WeakPolarHBondContact CD2-CD 3.23Å; H119-P128 WeakPolarHBondContact CD2-CG 3.32Å; H119-P128 WeakPolarHBondContact NE2-CG 3.41Å |
| 120 | K | 84.4 | Confident | 83 | Confident | 125 Ų | 125 | 77.1 Ų | 77.1 | 54% | 0.543 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 125.8 | 178.2 | -68.1 | 177.7 | -172.9 | 170.7 | 0 | 109.2 | Y75 E118 K124 V125 | Y75-K120 WeakPolarHBondContact CE2-O 2.91Å; E118-K120 IonicContact OE2-NZ 2.8Å; K120-K124 CarbonylContact C-O 3.54Å; K120-K124 VanDerWaalsContact CA-O 3.3Å; K120-K124 WeakPolarHBondContact CA-O 3.47Å; K120-V125 HydrophobicContact CG-CG2 4.11Å |
| 121 | L | 83.3 | Confident | 82.6 | Confident | 8 Ų | 8 | 78.1 Ų | 78.1 | 4% | 0.042 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 129.5 | 178.7 | -170 | 150 | 0 | 0 | 0 | 108.7 | T67 D71 Y75 G123 K124 I126 | T67-L121 HydrophobicContact CG2-CD2 3.46Å; T67-L121 VanDerWaalsContact CG2-CD2 3.46Å; D71-L121 HydrophobicContact CB-CD2 4.45Å; Y75-L121 HydrophobicContact CD1-CD1 4.14Å; Y75-L121 HydrophobicContact CD2-CD1 4.27Å; Y75-L121 HydrophobicContact CG-CD1 3.73Å; L121-G123 PolarHBondContact O-N 3.26Å; L121-K124 PolarHBondContact N-O 3.22Å; L121-K124 PolarHBondContact O-N 2.92Å; L121-K124 VanDerWaalsContact O-O 3.14Å; L121-I126 HydrophobicContact CB-CD1 4.1Å; L121-I126 HydrophobicContact CB-CG2 3.82Å; L121-I126 HydrophobicContact CD1-CD1 4.43Å |
| 122 | N | 78.2 | Confident | 81.8 | Confident | 89 Ų | 89 | 81.2 Ų | 81.2 | 48% | 0.476 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.8 | 41.5 | -177.6 | -62.1 | -13.9 | 0 | 0 | 0 | 113.4 | K124 | N122-K124 PolarHBondContact O-N 3.44Š|
| 123 | G | 78.3 | Confident | 80.5 | Confident | 87 Ų | 87 | 77.3 Ų | 77.3 | 90% | 0.897 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.2 | 2.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | L121 | L121-G123 PolarHBondContact O-N 3.26Š|
| 124 | K | 83.1 | Confident | 79.1 | Confident | 82 Ų | 82 | 84.4 Ų | 84.4 | 36% | 0.357 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 142.7 | 179.7 | -162.1 | 171.5 | 173.9 | -169.4 | 0 | 111.1 | G62 L63 K120 L121 N122 I126 | G62-K124 WeakPolarHBondContact O-CD 3.31Å; G62-K124 WeakPolarHBondContact O-CE 3.47Å; G62-K124 WeakPolarHBondContact O-CG 3.25Å; L63-K124 PolarHBondContact O-NZ 3.39Å; K120-K124 CarbonylContact C-O 3.54Å; K120-K124 VanDerWaalsContact CA-O 3.3Å; K120-K124 WeakPolarHBondContact CA-O 3.47Å; L121-K124 PolarHBondContact N-O 3.22Å; L121-K124 PolarHBondContact O-N 2.92Å; L121-K124 VanDerWaalsContact O-O 3.14Å; N122-K124 PolarHBondContact O-N 3.44Å; K124-I126 PolarHBondContact O-N 3.11Å |
| 125 | V | 85.8 | Confident | 77.5 | Confident | 82 Ų | 82 | 88.6 Ų | 88.6 | 50% | 0.497 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 123.8 | 174.9 | -174.6 | 0 | 0 | 0 | 0 | 108.6 | H119 K120 | H119-V125 CarbonylContact O-C 3.6Å; H119-V125 VanDerWaalsContact O-CA 3.3Å; H119-V125 WeakPolarHBondContact O-CA 3.22Å; K120-V125 HydrophobicContact CG-CG2 4.11Å |
| 126 | I | 88.8 | Confident | 75.7 | Confident | 4 Ų | 4 | 86.3 Ų | 86.3 | 2% | 0.021 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 148.4 | 176.6 | 72.1 | 176.1 | 0 | 0 | 0 | 109.1 | V60 G61 L63 Y75 F76 H119 L121 K124 P128 | V60-I126 HydrophobicContact CG1-CB 4.27Å; V60-I126 HydrophobicContact CG1-CD1 4.04Å; V60-I126 HydrophobicContact CG1-CG1 4.48Å; G61-I126 CarbonylContact O-C 3.52Å; G61-I126 WeakPolarHBondContact O-CA 3.48Å; L63-I126 HydrophobicContact CD2-CB 4.34Å; L63-I126 HydrophobicContact CD2-CG2 3.78Å; Y75-I126 HydrophobicContact CD1-CD1 4.13Å; Y75-I126 HydrophobicContact CE1-CD1 3.81Å; F76-I126 HydrophobicContact CE2-CD1 4.38Å; F76-I126 HydrophobicContact CZ-CD1 3.87Å; H119-I126 HydrophobicContact CB-CD1 3.76Å; H119-I126 HydrophobicContact CB-CG1 3.2Å; H119-I126 PolarHBondContact O-N 3.23Å; L121-I126 HydrophobicContact CB-CD1 4.1Å; L121-I126 HydrophobicContact CB-CG2 3.82Å; L121-I126 HydrophobicContact CD1-CD1 4.43Å; K124-I126 PolarHBondContact O-N 3.11Å; I126-P128 WeakPolarHBondContact O-CD 3.34Å |
| 127 | D | 85.2 | Confident | 74.5 | Confident | 106 Ų | 106 | 89.9 Ų | 89.9 | 57% | 0.567 | 46% | 0.456 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 87.7 | -178.5 | -174.8 | 36.6 | 0 | 0 | 0 | 109 | G61 | G61-D127 PolarHBondContact N-O 2.98Å; G61-D127 PolarHBondContact O-N 3.12Å |
| 128 | P | 85.6 | Confident | 73.7 | Confident | 13 Ų | 13 | 85.5 Ų | 85.5 | 8% | 0.084 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 127.5 | 174.6 | 30.7 | -28.7 | 0 | 0 | 0 | 109.9 | M58 F59 V60 F76 V113 H119 I126 | M58-P128 HydrophobicContact CE-CB 3.83Å; M58-P128 HydrophobicContact SD-CB 4.42Å; F59-P128 CarbonylContact O-C 3.59Å; F59-P128 VanDerWaalsContact O-CA 3.3Å; F59-P128 WeakPolarHBondContact O-CA 3.09Å; V60-P128 HydrophobicContact CG2-CB 4.44Å; F76-P128 HydrophobicContact CE1-CB 4.3Å; F76-P128 HydrophobicContact CZ-CB 4.33Å; V113-P128 HydrophobicContact CG1-CB 3.66Å; V113-P128 HydrophobicContact CG1-CG 3.49Å; V113-P128 VanDerWaalsContact CG1-CG 3.49Å; H119-P128 HydrophobicContact CB-CG 4.47Å; H119-P128 WeakPolarHBondContact CD2-CD 3.23Å; H119-P128 WeakPolarHBondContact CD2-CG 3.32Å; H119-P128 WeakPolarHBondContact NE2-CG 3.41Å; I126-P128 WeakPolarHBondContact O-CD 3.34Å |
| 129 | K | 85.6 | Confident | 72.4 | Confident | 117 Ų | 117 | 82.5 Ų | 82.5 | 51% | 0.509 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 145 | -179.4 | -170.5 | 169.4 | -172.5 | 163.3 | 0 | 109.2 | F59 A131 | F59-K129 HydrophobicContact CD1-CB 4.42Å; F59-K129 PolarHBondContact N-O 3.06Å; F59-K129 PolarHBondContact O-N 2.94Å; F59-K129 VanDerWaalsContact O-O 3.11Å; K129-A131 PolarHBondContact O-N 3.08Å; K129-A131 VanDerWaalsContact O-N 3.08Å |
| 130 | K | 82.7 | Confident | 71.3 | Confident | 112 Ų | 112 | 84.1 Ų | 84.1 | 49% | 0.487 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -47.6 | 122.9 | 170.8 | -67.4 | -164.9 | 175.2 | -168.7 | 0 | 108.3 | V110 E111 K132 | V110-K130 HydrophobicContact CG1-CD 4.46Å; V110-K130 HydrophobicContact CG1-CG 3.85Å; E111-K130 IonicContact OE1-NZ 2.81Å; E111-K130 PolarHBondContact OE1-NZ 2.86Å; K130-K132 PolarHBondContact O-N 3.24Å |
| 131 | A | 73.9 | Confident | 71 | Confident | 22 Ų | 22 | 82.8 Ų | 82.8 | 18% | 0.182 | 44% | 0.435 | C | S | . | . | trans | -64.6 | 113.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 106.9 | K57 F59 F101 K129 A133 | K57-A131 HydrophobicContact CB-CB 4.03Å; K57-A131 HydrophobicContact CD-CB 4.3Å; K57-A131 HydrophobicContact CG-CB 3.75Å; K57-A131 WeakPolarHBondContact O-CB 3.48Å; K57-A131 PolarHBondContact O-N 3.26Å; F59-A131 HydrophobicContact CB-CB 4.37Å; F101-A131 HydrophobicContact CD1-CB 4.47Å; K129-A131 PolarHBondContact O-N 3.08Å; K129-A131 VanDerWaalsContact O-N 3.08Å; A131-A133 PolarHBondContact O-N 3.45Å | ||
| 132 | K | 67.9 | Low | 71.1 | Confident | 170 Ų | 170 | 85.2 Ų | 85.2 | 74% | 0.739 | 45% | 0.445 | S | S | * | . | trans | -69.1 | 117 | 159 | -64.2 | -172.1 | 177.8 | -169.4 | 0 | 104 | K130 M134 | K130-K132 PolarHBondContact O-N 3.24Å; K132-M134 PolarHBondContact O-N 3.2Å | ||
| 133 | A | 59.8 | Low | 71.5 | Confident | 33 Ų | 33 | 81 Ų | 81 | 27% | 0.273 | 42% | 0.423 | S | S | . | . | trans | -46 | 118.9 | 158 | 0 | 0 | 0 | 0 | 0 | 104.6 | E53 A131 K135 | E53-A133 HydrophobicContact CG-CB 4.22Å; A131-A133 PolarHBondContact O-N 3.45Å; A133-K135 PolarHBondContact O-N 3.28Å | ||
| 134 | M | 55.4 | Low | 71.9 | Confident | 150 Ų | 150 | 79.3 Ų | 79.3 | 74% | 0.739 | 39% | 0.39 | S | S | * | . | trans | -55.5 | 110.5 | 159.9 | -75.6 | -167.5 | -164.9 | 0 | 0 | 101.4 | K132 S136 | K132-M134 PolarHBondContact O-N 3.2Å; M134-S136 PolarHBondContact O-N 2.72Å; M134-S136 PolarHBondContact O-OG 2.68Å | ||
| 135 | K | 49.7 | Very low | 72.1 | Confident | 137 Ų | 137 | 75.4 Ų | 75.4 | 60% | 0.596 | 37% | 0.373 | S | S | * | . | trans | -55.7 | 90.4 | 166.6 | -70.8 | -176.3 | 170.6 | -160 | 0 | 103 | A133 K137 E138 | A133-K135 PolarHBondContact O-N 3.28Å; K135-K137 PolarHBondContact O-N 3.1Å; K135-E138 HydrophobicContact CD-CG 4.32Å; K135-E138 IonicContact NZ-OE1 2.87Å; K135-E138 PolarHBondContact NZ-OE1 3.38Å | ||
| 136 | S | 47.1 | Very low | 72.1 | Confident | 52 Ų | 52 | 71.8 Ų | 71.8 | 36% | 0.364 | 35% | 0.353 | S | S | . | . | trans | -59 | 100.8 | 172.7 | -53.5 | 0 | 0 | 0 | 0 | 101.1 | N51 M134 E138 | N51-S136 WeakPolarHBondContact OD1-CB 3.45Å; N51-S136 PolarHBondContact OD1-OG 2.77Å; M134-S136 PolarHBondContact O-N 2.72Å; M134-S136 PolarHBondContact O-OG 2.68Å; S136-E138 PolarHBondContact O-N 2.74Å; S136-E138 VanDerWaalsContact O-N 3.1Å | ||
| 137 | K | 55.4 | Low | 71.8 | Confident | 160 Ų | 160 | 73.6 Ų | 73.6 | 70% | 0.696 | 37% | 0.373 | S | S | * | . | trans | 3.2 | 96 | -171.6 | -72 | 171.5 | 175.6 | 175.9 | 0 | 109.7 | K135 | K135-K137 PolarHBondContact O-N 3.1Š| ||
| 138 | E | 52.3 | Low | 71.6 | Confident | 115 Ų | 115 | 69.1 Ų | 69.1 | 54% | 0.537 | 35% | 0.349 | S | S | . | . | trans | -30.3 | 122.1 | 174.2 | -79.4 | 172.5 | -178.5 | 0 | 0 | 107.2 | K135 S136 V140 | K135-E138 HydrophobicContact CD-CG 4.32Å; K135-E138 IonicContact NZ-OE1 2.87Å; K135-E138 PolarHBondContact NZ-OE1 3.38Å; S136-E138 PolarHBondContact O-N 2.74Å; S136-E138 VanDerWaalsContact O-N 3.1Å; E138-V140 VanDerWaalsContact C-N 3.3Å; E138-V140 VanDerWaalsContact O-CA 3.27Å; E138-V140 WeakPolarHBondContact O-CA 3.46Å; E138-V140 VanDerWaalsContact O-CG1 3.29Å; E138-V140 WeakPolarHBondContact O-CG1 3.38Å; E138-V140 PolarHBondContact O-N 2.62Å | ||
| 139 | P | 53.6 | Low | 71.2 | Confident | 67 Ų | 67 | 69.8 Ų | 69.8 | 44% | 0.435 | 35% | 0.354 | S | S | . | . | trans | -51.4 | 107.7 | -172.8 | 19.9 | -31.4 | 0 | 0 | 0 | 106 | K141 E192 | P139-K141 PolarHBondContact O-N 2.95Å; P139-E192 HydrophobicContact CB-CB 4.25Å; P139-E192 WeakPolarHBondContact CB-OE2 3.38Å; P139-E192 WeakPolarHBondContact CG-OE2 3.5Å | ||
| 140 | V | 62.3 | Low | 70.7 | Confident | 35 Ų | 35 | 67.2 Ų | 67.2 | 21% | 0.212 | 35% | 0.349 | C | S | . | . | trans | -75.4 | 92.6 | -162.1 | -86.8 | 0 | 0 | 0 | 0 | 105.4 | E138 K142 V195 V215 A216 | E138-V140 VanDerWaalsContact C-N 3.3Å; E138-V140 VanDerWaalsContact O-CA 3.27Å; E138-V140 WeakPolarHBondContact O-CA 3.46Å; E138-V140 VanDerWaalsContact O-CG1 3.29Å; E138-V140 WeakPolarHBondContact O-CG1 3.38Å; E138-V140 PolarHBondContact O-N 2.62Å; V140-K142 PolarHBondContact O-N 2.93Å; V140-V195 HydrophobicContact CG2-CG1 4.45Å; V140-V195 WeakPolarHBondContact O-CG1 3.36Å; V140-V195 WeakPolarHBondContact O-CG2 3.47Å; V140-V215 HydrophobicContact CB-CG1 4Å; V140-V215 HydrophobicContact CG1-CG1 3.79Å; V140-V215 HydrophobicContact CG2-CB 3.8Å; V140-V215 HydrophobicContact CG2-CG1 3.24Å; V140-V215 HydrophobicContact CG2-CG2 3.61Å; V140-A216 WeakPolarHBondContact CG1-O 3.49Å | ||
| 141 | K | 78.1 | Confident | 70.3 | Confident | 98 Ų | 98 | 68.3 Ų | 68.3 | 43% | 0.426 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -54.6 | -18.4 | 169.3 | -63.5 | -168.8 | 179.5 | -155.4 | 0 | 111.1 | P139 T188 F189 K190 | P139-K141 PolarHBondContact O-N 2.95Å; K141-T188 HydrophobicContact CB-CG2 4.36Å; K141-T188 CarbonylContact O-C 3.56Å; K141-T188 WeakPolarHBondContact O-CA 3.46Å; K141-F189 WeakPolarHBondContact CB-O 3.23Å; K141-F189 PolarHBondContact O-N 3.29Å; K141-K190 PolarHBondContact NZ-O 3.26Å |
| 142 | K | 84.6 | Confident | 70.5 | Confident | 59 Ų | 59 | 67.9 Ų | 67.9 | 26% | 0.257 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 124.4 | 175.7 | -161.7 | 166.7 | -178 | 165.1 | 0 | 112 | V140 E171 F186 I187 A216 | V140-K142 PolarHBondContact O-N 2.93Å; K142-E171 IonicContact NZ-OE1 2.76Å; K142-E171 PolarHBondContact NZ-OE1 2.84Å; K142-E171 IonicContact NZ-OE2 2.79Å; K142-E171 PolarHBondContact NZ-OE2 2.8Å; K142-F186 HydrophobicContact CD-CB 4.38Å; K142-F186 HydrophobicContact CG-CB 4.28Å; K142-I187 CarbonylContact C-O 3.55Å; K142-I187 VanDerWaalsContact CA-O 3.24Å; K142-I187 WeakPolarHBondContact CA-O 3.24Å; K142-A216 HydrophobicContact CB-CB 3.88Å; K142-A216 HydrophobicContact CD-CB 4.38Å; K142-A216 HydrophobicContact CG-CB 3.69Å; K142-A216 WeakPolarHBondContact O-CB 3.3Å; K142-A216 PolarHBondContact O-N 2.96Å; K142-A216 VanDerWaalsContact O-N 3.08Å |
| 143 | I | 86.9 | Confident | 71.1 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 149.8 | 169.5 | 60.4 | 165.4 | 0 | 0 | 0 | 110.7 | V145 F161 F186 I187 F189 V195 I198 V213 | I143-V145 HydrophobicContact CD1-CG2 3.83Å; I143-V145 HydrophobicContact CG1-CG2 4.23Å; I143-F161 HydrophobicContact CD1-CD1 4.13Å; I143-F161 HydrophobicContact CD1-CE1 3.89Å; I143-F161 HydrophobicContact CD1-CZ 4.43Å; I143-F186 CarbonylContact O-C 3.52Å; I143-F186 VanDerWaalsContact O-CA 3.27Å; I143-F186 WeakPolarHBondContact O-CA 3.27Å; I143-I187 HydrophobicContact CD1-CB 4.18Å; I143-I187 HydrophobicContact CD1-CD1 4.19Å; I143-I187 HydrophobicContact CG1-CB 3.73Å; I143-I187 HydrophobicContact CG1-CG1 4.48Å; I143-I187 PolarHBondContact N-O 3.12Å; I143-I187 PolarHBondContact O-N 3.37Å; I143-F189 HydrophobicContact CD1-CE2 3.57Å; I143-F189 HydrophobicContact CD1-CZ 4.2Å; I143-F189 HydrophobicContact CG1-CD2 4.46Å; I143-F189 HydrophobicContact CG1-CE2 3.81Å; I143-V195 HydrophobicContact CG2-CB 4.13Å; I143-V195 HydrophobicContact CG2-CG1 3.58Å; I143-V195 HydrophobicContact CG2-CG2 3.84Å; I143-I198 HydrophobicContact CD1-CD1 3.99Å; I143-I198 HydrophobicContact CD1-CG2 4.16Å; I143-V213 HydrophobicContact CB-CG1 3.92Å; I143-V213 HydrophobicContact CD1-CG1 3.83Å; I143-V213 HydrophobicContact CG1-CG1 4.4Å; I143-V213 HydrophobicContact CG2-CG1 4.35Å |
| 144 | F | 87 | Confident | 72.2 | Confident | 51 Ų | 51 | 64.1 Ų | 64.1 | 22% | 0.224 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 124.4 | 168.4 | 169.6 | -92.2 | 0 | 0 | 0 | 108.2 | F184 F186 V213 K214 A216 | F144-F184 HydrophobicContact CD2-CB 4.43Å; F144-F184 HydrophobicContact CD2-CD2 4.33Å; F144-F184 HydrophobicContact CE2-CB 3.5Å; F144-F184 HydrophobicContact CE2-CD1 4.39Å; F144-F184 AromaticContact CE2-CD2 3.62Å; F144-F184 HydrophobicContact CE2-CD2 3.62Å; F144-F184 HydrophobicContact CE2-CE2 4.4Å; F144-F184 AromaticContact CE2-CG 3.61Å; F144-F184 HydrophobicContact CE2-CG 3.61Å; F144-F184 HydrophobicContact CZ-CB 3.59Å; F144-F184 HydrophobicContact CZ-CD2 4.48Å; F144-F184 HydrophobicContact CZ-CG 4.03Å; F144-F186 HydrophobicContact CB-CD1 4.12Å; F144-F186 HydrophobicContact CB-CE1 4.05Å; F144-F186 HydrophobicContact CD2-CD1 4.07Å; F144-F186 AromaticContact CD2-CE1 3.53Å; F144-F186 HydrophobicContact CD2-CE1 3.53Å; F144-F186 HydrophobicContact CD2-CE2 4.5Å; F144-F186 AromaticContact CD2-CZ 3.76Å; F144-F186 HydrophobicContact CD2-CZ 3.76Å; F144-F186 HydrophobicContact CE2-CE1 4.49Å; F144-F186 HydrophobicContact CE2-CZ 4.31Å; F144-F186 HydrophobicContact CG-CE1 4.27Å; F144-V213 CarbonylContact O-C 3.42Å; F144-V213 WeakPolarHBondContact O-CA 3.2Å; F144-K214 HydrophobicContact CB-CB 4.48Å; F144-K214 HydrophobicContact CD1-CB 4.19Å; F144-K214 PolarHBondContact N-O 3.38Å; F144-K214 PolarHBondContact O-N 3.24Å; F144-A216 HydrophobicContact CB-CB 4.37Å |
| 145 | V | 86.5 | Confident | 73.7 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 107.3 | 175.6 | -174.5 | 0 | 0 | 0 | 0 | 107.4 | I143 L148 F161 F184 C185 I187 C211 E212 V213 | I143-V145 HydrophobicContact CD1-CG2 3.83Å; I143-V145 HydrophobicContact CG1-CG2 4.23Å; V145-L148 HydrophobicContact CB-CD1 4.31Å; V145-L148 HydrophobicContact CG1-CD1 3.99Å; V145-L148 HydrophobicContact CG1-CG 4.14Å; V145-F161 HydrophobicContact CB-CZ 4.4Å; V145-F161 HydrophobicContact CG1-CE2 4.06Å; V145-F161 HydrophobicContact CG1-CZ 3.92Å; V145-F161 HydrophobicContact CG2-CE1 4.33Å; V145-F161 HydrophobicContact CG2-CE2 3.82Å; V145-F161 HydrophobicContact CG2-CZ 3.56Å; V145-F184 CarbonylContact O-C 3.52Å; V145-F184 WeakPolarHBondContact O-CA 3.44Å; V145-F184 WeakPolarHBondContact O-CB 3.29Å; V145-C185 PolarHBondContact N-O 2.88Å; V145-C185 PolarHBondContact O-N 3.48Å; V145-I187 HydrophobicContact CG2-CD1 3.76Å; V145-I187 HydrophobicContact CG2-CG1 4.31Å; V145-C211 HydrophobicContact CG1-CB 3.76Å; V145-E212 CarbonylContact C-O 3.59Å; V145-E212 WeakPolarHBondContact CA-O 3.48Å; V145-V213 HydrophobicContact CG1-CG2 4.26Å; V145-V213 HydrophobicContact CG2-CG1 4.45Å; V145-V213 HydrophobicContact CG2-CG2 4.15Å |
| 146 | G | 85.6 | Confident | 75.3 | Confident | 6 Ų | 6 | 63.4 Ų | 63.4 | 6% | 0.062 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 163.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | G183 C211 E212 | G146-G183 CarbonylContact C-O 3.59Å; G146-C211 CarbonylContact O-C 3.39Å; G146-C211 WeakPolarHBondContact O-CA 3.46Å; G146-C211 WeakPolarHBondContact O-CB 3.49Å; G146-E212 PolarHBondContact N-O 3.21Å; G146-E212 PolarHBondContact O-N 3.12Å |
| 147 | G | 81.8 | Confident | 77.1 | Confident | 43 Ų | 43 | 61 Ų | 61 | 44% | 0.443 | 32% | 0.316 | S | S | . | . | trans | 78.1 | 21.4 | 179 | 0 | 0 | 0 | 0 | 0 | 114.3 | G183 | G147-G183 WeakPolarHBondContact CA-O 3.27Å; G147-G183 PolarHBondContact N-O 3.03Å | ||
| 148 | L | 82.1 | Confident | 78.6 | Confident | 12 Ų | 12 | 60.4 Ų | 60.4 | 6% | 0.063 | 31% | 0.31 | C | S | . | . | trans | -74.7 | 136 | 170.7 | -75.6 | 163.9 | 0 | 0 | 0 | 110 | V145 T152 V157 G183 C185 I206 C211 | V145-L148 HydrophobicContact CB-CD1 4.31Å; V145-L148 HydrophobicContact CG1-CD1 3.99Å; V145-L148 HydrophobicContact CG1-CG 4.14Å; L148-T152 HydrophobicContact CD2-CG2 4.21Å; L148-V157 HydrophobicContact CD1-CG2 4.26Å; L148-V157 HydrophobicContact CD2-CG2 3.99Å; L148-G183 PolarHBondContact N-O 2.98Å; L148-G183 CarbonylContact O-C 3.33Å; L148-G183 WeakPolarHBondContact O-CA 3.17Å; L148-C185 HydrophobicContact CD1-CB 3.8Å; L148-C185 WeakPolarHBondContact CD1-SG 3.16Å; L148-I206 HydrophobicContact CD2-CB 4.25Å; L148-I206 HydrophobicContact CD2-CD1 4.02Å; L148-I206 HydrophobicContact CD2-CG2 4.32Å; L148-C211 WeakPolarHBondContact CD2-SG 3.17Å | ||
| 149 | S | 77.8 | Confident | 80.2 | Confident | 27 Ų | 27 | 62.1 Ų | 62.1 | 19% | 0.189 | 32% | 0.318 | C | S | . | . | trans | -62.2 | 141.9 | 169.3 | 172.4 | 0 | 0 | 0 | 0 | 109.9 | D151 T152 S209 | S149-D151 PolarHBondContact O-N 3.22Å; S149-D151 VanDerWaalsContact O-N 3.12Å; S149-D151 PolarHBondContact OG-N 2.76Å; S149-T152 WeakPolarHBondContact O-CB 3.33Å; S149-T152 PolarHBondContact O-N 2.99Å; S149-S209 WeakPolarHBondContact CB-OG 3.25Å | ||
| 150 | P | 73.6 | Confident | 81.8 | Confident | 62 Ų | 62 | 62.6 Ų | 62.6 | 40% | 0.403 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -20.7 | 173.6 | 26.7 | -36.3 | 0 | 0 | 0 | 113.3 | R181 | P150-R181 HydrophobicContact CB-CB 4.21Å; P150-R181 WeakPolarHBondContact O-CD 3.39Å; P150-R181 PolarHBondContact O-NH1 2.82Å |
| 151 | D | 75.9 | Confident | 82.8 | Confident | 135 Ų | 135 | 60.9 Ų | 60.9 | 72% | 0.722 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -13.9 | 178.3 | -57.1 | -51.8 | 0 | 0 | 0 | 112.9 | S149 P153 | S149-D151 PolarHBondContact O-N 3.22Å; S149-D151 VanDerWaalsContact O-N 3.12Å; S149-D151 PolarHBondContact OG-N 2.76Å; D151-P153 VanDerWaalsContact O-CD 3.25Å; D151-P153 WeakPolarHBondContact O-CD 3.3Å |
| 152 | T | 77.3 | Confident | 83.1 | Confident | 14 Ų | 14 | 58 Ų | 58 | 9% | 0.086 | 30% | 0.3 | C | S | . | . | trans | -74 | 115.4 | -179.4 | -57.8 | 0 | 0 | 0 | 0 | 110.4 | L148 S149 K156 V157 R181 I206 | L148-T152 HydrophobicContact CD2-CG2 4.21Å; S149-T152 WeakPolarHBondContact O-CB 3.33Å; S149-T152 PolarHBondContact O-N 2.99Å; T152-K156 HydrophobicContact CG2-CB 4.23Å; T152-V157 HydrophobicContact CG2-CG2 4.04Å; T152-R181 PolarHBondContact O-NH1 2.8Å; T152-R181 VanDerWaalsContact O-NH1 3.09Å; T152-I206 HydrophobicContact CG2-CG2 3.92Å | ||
| 153 | P | 80.5 | Confident | 83.1 | Confident | 40 Ų | 40 | 59.4 Ų | 59.4 | 26% | 0.26 | 32% | 0.322 | S | S | . | . | trans | -75.1 | 158.9 | 176.2 | 33.1 | -35.4 | 0 | 0 | 0 | 111.4 | D151 E155 K156 | D151-P153 VanDerWaalsContact O-CD 3.25Å; D151-P153 WeakPolarHBondContact O-CD 3.3Å; P153-E155 PolarHBondContact O-N 2.74Å; P153-K156 HydrophobicContact CG-CB 4.42Å; P153-K156 HydrophobicContact CG-CD 4.3Å; P153-K156 HydrophobicContact CG-CG 4Å; P153-K156 PolarHBondContact O-N 2.8Å | ||
| 154 | E | 82.9 | Confident | 82.9 | Confident | 83 Ų | 83 | 61.7 Ų | 61.7 | 39% | 0.388 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -54.7 | -37 | 174.7 | -179.6 | -179.8 | 156.3 | 0 | 0 | 112.6 | K156 V157 R158 I170 L172 | E154-K156 VanDerWaalsContact C-N 3.32Å; E154-K156 PolarHBondContact O-N 2.81Å; E154-V157 CarbonylContact O-C 3.52Å; E154-V157 WeakPolarHBondContact O-CA 3.5Å; E154-V157 WeakPolarHBondContact O-CB 3.46Å; E154-V157 PolarHBondContact O-N 3.01Å; E154-R158 PolarHBondContact O-N 3.44Å; E154-I170 HydrophobicContact CG-CB 3.95Å; E154-I170 HydrophobicContact CG-CD1 3.82Å; E154-I170 HydrophobicContact CG-CG1 4.43Å; E154-I170 HydrophobicContact CG-CG2 4.03Å; E154-L172 HydrophobicContact CB-CD1 3.72Å; E154-L172 HydrophobicContact CB-CD2 4.41Å; E154-L172 HydrophobicContact CG-CD1 3.72Å |
| 155 | E | 85.9 | Confident | 82.8 | Confident | 158 Ų | 158 | 60.1 Ų | 60.1 | 74% | 0.738 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -55.8 | -44.6 | -178.9 | -66.2 | 176.5 | 178.6 | 0 | 0 | 112.4 | P153 V157 R158 E159 | P153-E155 PolarHBondContact O-N 2.74Å; E155-V157 VanDerWaalsContact C-N 3.32Å; E155-V157 PolarHBondContact O-N 3.24Å; E155-R158 PolarHBondContact O-N 3.07Å; E155-E159 WeakPolarHBondContact O-CB 3.24Å; E155-E159 PolarHBondContact O-N 2.82Å |
| 156 | K | 84.9 | Confident | 82.8 | Confident | 114 Ų | 114 | 65.9 Ų | 65.9 | 50% | 0.496 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -66.6 | -36 | 177.4 | -71.9 | -169.4 | -178.3 | -177.9 | 0 | 112.3 | T152 P153 E154 Y160 | T152-K156 HydrophobicContact CG2-CB 4.23Å; P153-K156 HydrophobicContact CG-CB 4.42Å; P153-K156 HydrophobicContact CG-CD 4.3Å; P153-K156 HydrophobicContact CG-CG 4Å; P153-K156 PolarHBondContact O-N 2.8Å; E154-K156 VanDerWaalsContact C-N 3.32Å; E154-K156 PolarHBondContact O-N 2.81Å; K156-Y160 WeakPolarHBondContact O-CB 3.39Å; K156-Y160 PolarHBondContact O-N 3.19Å |
| 157 | V | 83.9 | Confident | 83 | Confident | 1 Ų | 1 | 66.2 Ų | 66.2 | 1% | 0.006 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -65.8 | -46 | 175.5 | 177.7 | 0 | 0 | 0 | 0 | 108.9 | L148 T152 E154 E155 E159 Y160 F161 I170 I187 | L148-V157 HydrophobicContact CD1-CG2 4.26Å; L148-V157 HydrophobicContact CD2-CG2 3.99Å; T152-V157 HydrophobicContact CG2-CG2 4.04Å; E154-V157 CarbonylContact O-C 3.52Å; E154-V157 WeakPolarHBondContact O-CA 3.5Å; E154-V157 WeakPolarHBondContact O-CB 3.46Å; E154-V157 PolarHBondContact O-N 3.01Å; E155-V157 VanDerWaalsContact C-N 3.32Å; E155-V157 PolarHBondContact O-N 3.24Å; V157-E159 PolarHBondContact O-N 2.73Å; V157-Y160 PolarHBondContact O-N 3.28Å; V157-F161 HydrophobicContact CG1-CD2 3.55Å; V157-F161 HydrophobicContact CG1-CE2 3.86Å; V157-F161 WeakPolarHBondContact O-CB 3.45Å; V157-F161 VanDerWaalsContact O-CD2 3.23Å; V157-F161 WeakPolarHBondContact O-CD2 3.3Å; V157-F161 PolarHBondContact O-N 3.37Å; V157-I170 HydrophobicContact CG1-CD1 4.45Å; V157-I170 HydrophobicContact CG1-CG2 4.5Å; V157-I187 HydrophobicContact CG1-CD1 3.53Å; V157-I187 HydrophobicContact CG1-CG1 4.24Å |
| 158 | R | 86.6 | Confident | 83.2 | Confident | 148 Ų | 148 | 70 Ų | 70 | 56% | 0.558 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -63.3 | -41.4 | 177.9 | -168.7 | 175.2 | 178.5 | 172.8 | 0.2 | 112.6 | E154 E155 G162 I170 | E154-R158 PolarHBondContact O-N 3.44Å; E155-R158 PolarHBondContact O-N 3.07Å; R158-G162 WeakPolarHBondContact O-CA 3.41Å; R158-G162 PolarHBondContact O-N 3.38Å; R158-I170 HydrophobicContact CB-CD1 3.53Å; R158-I170 HydrophobicContact CG-CD1 3.97Å |
| 159 | E | 87 | Confident | 83.2 | Confident | 151 Ų | 151 | 71.6 Ų | 71.6 | 71% | 0.706 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -64.5 | -47.3 | 177.5 | -173.5 | 180 | -174 | 0 | 0 | 110.9 | E155 V157 A163 | E155-E159 WeakPolarHBondContact O-CB 3.24Å; E155-E159 PolarHBondContact O-N 2.82Å; V157-E159 PolarHBondContact O-N 2.73Å; E159-A163 PolarHBondContact O-N 3.27Å |
| 160 | Y | 86.1 | Confident | 83.5 | Confident | 77 Ų | 77 | 71.2 Ų | 71.2 | 30% | 0.302 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -65.7 | -49.1 | 179.3 | -174.9 | -94.9 | 0 | 0 | 0 | 112.4 | K156 V157 A163 F164 H204 I206 | K156-Y160 WeakPolarHBondContact O-CB 3.39Å; K156-Y160 PolarHBondContact O-N 3.19Å; V157-Y160 PolarHBondContact O-N 3.28Å; Y160-A163 WeakPolarHBondContact O-CB 3.21Å; Y160-A163 PolarHBondContact O-N 3.5Å; Y160-F164 AromaticContact CD1-CE2 3.99Å; Y160-F164 HydrophobicContact CD1-CE2 3.99Å; Y160-F164 HydrophobicContact CE1-CD2 4.49Å; Y160-F164 AromaticContact CE1-CE2 3.55Å; Y160-F164 HydrophobicContact CE1-CE2 3.55Å; Y160-F164 HydrophobicContact CE1-CZ 4.18Å; Y160-F164 HydrophobicContact CE2-CE2 4.48Å; Y160-F164 AromaticContact CZ-CE2 3.83Å; Y160-F164 WeakPolarHBondContact O-CD2 3.41Å; Y160-F164 WeakPolarHBondContact O-CE2 3.45Å; Y160-H204 HydrophobicContact CE1-CB 3.84Å; Y160-H204 AromaticContact CE1-CG 3.95Å; Y160-H204 AromaticContact CE1-ND1 3.46Å; Y160-H204 WeakPolarHBondContact CE1-ND1 3.36Å; Y160-H204 AromaticContact CZ-ND1 3.69Å; Y160-H204 PolarHBondContact OH-ND1 3.09Å; Y160-I206 HydrophobicContact CD1-CD1 3.96Å; Y160-I206 HydrophobicContact CD1-CG1 3.89Å; Y160-I206 HydrophobicContact CE1-CD1 4.48Å; Y160-I206 HydrophobicContact CE1-CG1 4.24Å; Y160-I206 HydrophobicContact CG-CD1 4.46Å; Y160-I206 HydrophobicContact CG-CG1 4.09Å |
| 161 | F | 84.6 | Confident | 84 | Confident | 0 Ų | 0 | 72.4 Ų | 72.4 | 0% | 0 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -77.5 | -25.4 | -178.8 | -74.9 | -71 | 0 | 0 | 0 | 113.2 | I143 V145 V157 A163 F164 G165 V167 I187 F189 I198 I206 V213 | I143-F161 HydrophobicContact CD1-CD1 4.13Å; I143-F161 HydrophobicContact CD1-CE1 3.89Å; I143-F161 HydrophobicContact CD1-CZ 4.43Å; V145-F161 HydrophobicContact CB-CZ 4.4Å; V145-F161 HydrophobicContact CG1-CE2 4.06Å; V145-F161 HydrophobicContact CG1-CZ 3.92Å; V145-F161 HydrophobicContact CG2-CE1 4.33Å; V145-F161 HydrophobicContact CG2-CE2 3.82Å; V145-F161 HydrophobicContact CG2-CZ 3.56Å; V157-F161 HydrophobicContact CG1-CD2 3.55Å; V157-F161 HydrophobicContact CG1-CE2 3.86Å; V157-F161 WeakPolarHBondContact O-CB 3.45Å; V157-F161 VanDerWaalsContact O-CD2 3.23Å; V157-F161 WeakPolarHBondContact O-CD2 3.3Å; V157-F161 PolarHBondContact O-N 3.37Å; F161-A163 PolarHBondContact O-N 3.33Å; F161-F164 PolarHBondContact O-N 2.77Å; F161-G165 PolarHBondContact O-N 2.92Å; F161-V167 HydrophobicContact CB-CG2 4.31Å; F161-I187 HydrophobicContact CB-CD1 3.96Å; F161-I187 HydrophobicContact CD1-CD1 4.12Å; F161-I187 HydrophobicContact CD2-CD1 3.08Å; F161-I187 HydrophobicContact CE1-CD1 4.41Å; F161-I187 HydrophobicContact CE2-CD1 3.43Å; F161-I187 VanDerWaalsContact CE2-CD1 3.43Å; F161-I187 HydrophobicContact CG-CD1 3.45Å; F161-I187 VanDerWaalsContact CG-CD1 3.45Å; F161-I187 HydrophobicContact CZ-CD1 4.1Å; F161-F189 HydrophobicContact CB-CE1 4.36Å; F161-F189 HydrophobicContact CB-CZ 3.98Å; F161-F189 HydrophobicContact CD1-CZ 4.18Å; F161-F189 HydrophobicContact CG-CZ 4.44Å; F161-I198 HydrophobicContact CD1-CD1 3.6Å; F161-I198 HydrophobicContact CD1-CG1 4.31Å; F161-I198 HydrophobicContact CE1-CD1 3.95Å; F161-I198 HydrophobicContact CE1-CG1 4.34Å; F161-I198 HydrophobicContact CE1-CG2 4.03Å; F161-I206 HydrophobicContact CD2-CD1 4.14Å; F161-I206 HydrophobicContact CE2-CD1 3.31Å; F161-I206 HydrophobicContact CZ-CD1 3.85Å; F161-V213 HydrophobicContact CE1-CG2 4.29Å; F161-V213 HydrophobicContact CZ-CG2 4.11Å |
| 162 | G | 83.8 | Confident | 84.3 | Confident | 38 Ų | 38 | 67.7 Ų | 67.7 | 39% | 0.392 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.6 | -27.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113 | R158 F164 G165 | R158-G162 WeakPolarHBondContact O-CA 3.41Å; R158-G162 PolarHBondContact O-N 3.38Å; G162-F164 PolarHBondContact O-N 3.18Å; G162-G165 WeakPolarHBondContact CA-O 3.45Å; G162-G165 PolarHBondContact O-N 3.13Å |
| 163 | A | 85.3 | Confident | 84.3 | Confident | 87 Ų | 87 | 69.2 Ų | 69.2 | 72% | 0.719 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -23 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | E159 Y160 F161 | E159-A163 PolarHBondContact O-N 3.27Å; Y160-A163 WeakPolarHBondContact O-CB 3.21Å; Y160-A163 PolarHBondContact O-N 3.5Å; F161-A163 PolarHBondContact O-N 3.33Å |
| 164 | F | 83 | Confident | 84.1 | Confident | 48 Ų | 48 | 72.3 Ų | 72.3 | 21% | 0.211 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | -26.1 | 177.6 | -64.9 | -89.8 | 0 | 0 | 0 | 112.5 | Y160 F161 G162 P194 M197 I198 | Y160-F164 AromaticContact CD1-CE2 3.99Å; Y160-F164 HydrophobicContact CD1-CE2 3.99Å; Y160-F164 HydrophobicContact CE1-CD2 4.49Å; Y160-F164 AromaticContact CE1-CE2 3.55Å; Y160-F164 HydrophobicContact CE1-CE2 3.55Å; Y160-F164 HydrophobicContact CE1-CZ 4.18Å; Y160-F164 HydrophobicContact CE2-CE2 4.48Å; Y160-F164 AromaticContact CZ-CE2 3.83Å; Y160-F164 WeakPolarHBondContact O-CD2 3.41Å; Y160-F164 WeakPolarHBondContact O-CE2 3.45Å; F161-F164 PolarHBondContact O-N 2.77Å; G162-F164 PolarHBondContact O-N 3.18Å; F164-P194 HydrophobicContact CB-CB 4.28Å; F164-P194 WeakPolarHBondContact O-CB 3.08Å; F164-M197 WeakPolarHBondContact O-CE 3.25Å; F164-I198 HydrophobicContact CB-CD1 4.06Å; F164-I198 HydrophobicContact CB-CG1 4.15Å; F164-I198 HydrophobicContact CD1-CG1 4.11Å; F164-I198 HydrophobicContact CD2-CG1 4.47Å; F164-I198 HydrophobicContact CG-CD1 4.32Å; F164-I198 HydrophobicContact CG-CG1 3.98Å |
| 165 | G | 84.4 | Confident | 83.5 | Confident | 19 Ų | 19 | 71.7 Ų | 71.7 | 20% | 0.196 | 37% | 0.366 | C | S | . | . | S | Bend | trans | 172.9 | 171.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | F161 G162 V167 | F161-G165 PolarHBondContact O-N 2.92Å; G162-G165 WeakPolarHBondContact CA-O 3.45Å; G162-G165 PolarHBondContact O-N 3.13Å; G165-V167 PolarHBondContact O-N 2.73Å |
| 166 | E | 86.9 | Confident | 82.7 | Confident | 120 Ų | 120 | 70.6 Ų | 70.6 | 56% | 0.561 | 37% | 0.37 | S | S | * | . | trans | -71.4 | 114.5 | -176.3 | -162.6 | -180 | 173.3 | 0 | 0 | 111.6 | F189 K190 | E166-F189 WeakPolarHBondContact O-CA 3.39Å; E166-K190 HydrophobicContact CB-CD 4.4Å; E166-K190 HydrophobicContact CG-CD 4.08Å; E166-K190 PolarHBondContact O-N 2.87Å; E166-K190 VanDerWaalsContact OE1-CE 3.28Å; E166-K190 WeakPolarHBondContact OE1-CE 3.18Å; E166-K190 IonicContact OE1-NZ 2.68Å; E166-K190 PolarHBondContact OE1-NZ 3.41Å; E166-K190 WeakPolarHBondContact OE2-CD 3.45Å; E166-K190 IonicContact OE2-NZ 3.57Å; E166-K190 PolarHBondContact OE2-NZ 3.05Å | ||
| 167 | V | 88.1 | Confident | 81.8 | Confident | 14 Ų | 14 | 74.2 Ų | 74.2 | 9% | 0.085 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 123 | 178.4 | 179.8 | 0 | 0 | 0 | 0 | 110 | F161 G165 I170 I187 F189 | F161-V167 HydrophobicContact CB-CG2 4.31Å; G165-V167 PolarHBondContact O-N 2.73Å; V167-I170 HydrophobicContact CG1-CD1 4.01Å; V167-I170 HydrophobicContact CG1-CG1 3.52Å; V167-I187 HydrophobicContact CB-CG2 4.44Å; V167-I187 HydrophobicContact CG1-CG2 3.65Å; V167-I187 HydrophobicContact CG2-CG2 4Å; V167-F189 HydrophobicContact CG2-CD1 3.95Å; V167-F189 HydrophobicContact CG2-CE1 3.58Å; V167-F189 HydrophobicContact CG2-CZ 4.33Å |
| 168 | E | 86.3 | Confident | 81 | Confident | 121 Ų | 121 | 77.5 Ų | 77.5 | 57% | 0.565 | 41% | 0.407 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.5 | -47.5 | 176 | -173.1 | -178.9 | -173 | 0 | 0 | 111.6 | T188 K190 | E168-T188 WeakPolarHBondContact CA-O 3.36Å; E168-T188 WeakPolarHBondContact CB-O 3.34Å; E168-T188 PolarHBondContact N-O 3.5Å; E168-K190 HydrophobicContact CB-CG 3.97Å; E168-K190 HydrophobicContact CG-CG 4.46Å |
| 169 | S | 82 | Confident | 79.9 | Confident | 46 Ų | 46 | 77 Ų | 77 | 32% | 0.322 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 148.2 | 178.9 | 57.1 | 0 | 0 | 0 | 0 | 112.5 | T188 | S169-T188 PolarHBondContact N-O 3.26Å; S169-T188 VanDerWaalsContact N-O 3.14Å; S169-T188 PolarHBondContact O-N 2.96Å; S169-T188 VanDerWaalsContact OG-CB 3.29Å; S169-T188 WeakPolarHBondContact OG-CB 3.45Å; S169-T188 PolarHBondContact OG-OG1 3.31Å |
| 170 | I | 84.2 | Confident | 78.9 | Confident | 20 Ų | 20 | 76.7 Ų | 76.7 | 10% | 0.103 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 126.1 | 172.3 | -49.5 | 177.7 | 0 | 0 | 0 | 108.4 | E154 V157 R158 V167 L172 C185 F186 I187 | E154-I170 HydrophobicContact CG-CB 3.95Å; E154-I170 HydrophobicContact CG-CD1 3.82Å; E154-I170 HydrophobicContact CG-CG1 4.43Å; E154-I170 HydrophobicContact CG-CG2 4.03Å; V157-I170 HydrophobicContact CG1-CD1 4.45Å; V157-I170 HydrophobicContact CG1-CG2 4.5Å; R158-I170 HydrophobicContact CB-CD1 3.53Å; R158-I170 HydrophobicContact CG-CD1 3.97Å; V167-I170 HydrophobicContact CG1-CD1 4.01Å; V167-I170 HydrophobicContact CG1-CG1 3.52Å; I170-L172 HydrophobicContact CB-CD1 4.32Å; I170-L172 HydrophobicContact CG2-CD1 3.46Å; I170-L172 VanDerWaalsContact CG2-CD1 3.46Å; I170-L172 HydrophobicContact CG2-CG 4.45Å; I170-C185 HydrophobicContact CG2-CB 4.41Å; I170-F186 CarbonylContact C-O 3.54Å; I170-F186 WeakPolarHBondContact CA-O 3.36Å; I170-I187 HydrophobicContact CG1-CG1 4.38Å; I170-I187 HydrophobicContact CG1-CG2 4.4Å; I170-I187 HydrophobicContact CG2-CG1 4.06Å |
| 171 | E | 83.5 | Confident | 77.9 | Confident | 87 Ų | 87 | 77 Ų | 77 | 41% | 0.407 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 120.8 | 175 | -67.7 | 168.4 | -143.7 | 0 | 0 | 108.9 | K142 P173 C185 F186 | K142-E171 IonicContact NZ-OE1 2.76Å; K142-E171 PolarHBondContact NZ-OE1 2.84Å; K142-E171 IonicContact NZ-OE2 2.79Å; K142-E171 PolarHBondContact NZ-OE2 2.8Å; E171-P173 VanDerWaalsContact O-CD 3.3Å; E171-P173 WeakPolarHBondContact O-CD 3.35Å; E171-C185 CarbonylContact O-C 3.57Å; E171-C185 WeakPolarHBondContact O-CA 3.45Å; E171-C185 WeakPolarHBondContact O-CB 3.09Å; E171-F186 HydrophobicContact CB-CB 4.29Å; E171-F186 PolarHBondContact N-O 2.78Å; E171-F186 PolarHBondContact O-N 3.24Å |
| 172 | L | 82.4 | Confident | 77 | Confident | 36 Ų | 36 | 82.8 Ų | 82.8 | 19% | 0.188 | 43% | 0.434 | C | S | . | . | trans | -113.8 | 87.6 | 173.3 | -68.6 | 88.3 | 0 | 0 | 0 | 109.6 | E154 I170 M174 C185 | E154-L172 HydrophobicContact CB-CD1 3.72Å; E154-L172 HydrophobicContact CB-CD2 4.41Å; E154-L172 HydrophobicContact CG-CD1 3.72Å; I170-L172 HydrophobicContact CB-CD1 4.32Å; I170-L172 HydrophobicContact CG2-CD1 3.46Å; I170-L172 VanDerWaalsContact CG2-CD1 3.46Å; I170-L172 HydrophobicContact CG2-CG 4.45Å; L172-M174 PolarHBondContact O-N 3.08Å; L172-M174 VanDerWaalsContact O-N 3.09Å; L172-C185 HydrophobicContact CD1-CB 4.44Å; L172-C185 HydrophobicContact CD2-CB 4.44Å; L172-C185 HydrophobicContact CG-CB 3.78Å | ||
| 173 | P | 77.6 | Confident | 76.6 | Confident | 45 Ų | 45 | 82.4 Ų | 82.4 | 29% | 0.292 | 43% | 0.43 | S | S | . | . | trans | -61.4 | 115.5 | 176.7 | -25.4 | 36.9 | 0 | 0 | 0 | 111.6 | E171 R182 F184 F186 | E171-P173 VanDerWaalsContact O-CD 3.3Å; E171-P173 WeakPolarHBondContact O-CD 3.35Å; P173-R182 WeakPolarHBondContact O-CB 3.45Å; P173-R182 WeakPolarHBondContact O-CG 3.29Å; P173-R182 PolarHBondContact O-N 3.25Å; P173-F184 HydrophobicContact CB-CE2 4.12Å; P173-F184 HydrophobicContact CB-CZ 4.42Å; P173-F184 HydrophobicContact CG-CE2 3.91Å; P173-F186 HydrophobicContact CG-CD2 4.2Å; P173-F186 HydrophobicContact CG-CE2 4.13Å | ||
| 174 | M | 77.3 | Confident | 76.6 | Confident | 106 Ų | 106 | 80.4 Ų | 80.4 | 52% | 0.522 | 41% | 0.405 | S | S | . | . | B | Isolated β-bridge | trans | -83.5 | 147.2 | 173.3 | -57.9 | -174.4 | -170.3 | 0 | 0 | 110.5 | L172 T176 | L172-M174 PolarHBondContact O-N 3.08Å; L172-M174 VanDerWaalsContact O-N 3.09Å; M174-T176 PolarHBondContact O-N 2.97Å |
| 175 | E | 70.2 | Confident | 76.7 | Confident | 70 Ų | 70 | 78.1 Ų | 78.1 | 33% | 0.327 | 40% | 0.395 | S | S | . | . | trans | -75.5 | 115.7 | 176.7 | -170.7 | 162.4 | -130 | 0 | 0 | 110.1 | K177 T178 N179 K180 R182 | E175-K177 PolarHBondContact O-N 2.8Å; E175-T178 PolarHBondContact O-N 3.14Å; E175-T178 PolarHBondContact OE2-OG1 3.03Å; E175-N179 WeakPolarHBondContact O-CA 3.38Å; E175-N179 PolarHBondContact O-N 2.98Å; E175-K180 WeakPolarHBondContact CB-O 3.41Å; E175-K180 PolarHBondContact N-O 3.15Å; E175-R182 HydrophobicContact CB-CG 3.76Å | ||
| 176 | T | 67.8 | Low | 76.9 | Confident | 134 Ų | 134 | 79.3 Ų | 79.3 | 82% | 0.822 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -16.3 | -174 | 54.9 | 0 | 0 | 0 | 0 | 114.5 | M174 | M174-T176 PolarHBondContact O-N 2.97Š|
| 177 | K | 67.7 | Low | 76.9 | Confident | 191 Ų | 191 | 73.6 Ų | 73.6 | 83% | 0.83 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | -28.4 | -177.5 | -63.1 | -175.5 | 179.7 | -177.7 | 0 | 113.8 | E175 | E175-K177 PolarHBondContact O-N 2.8Š|
| 178 | T | 66.9 | Low | 76.8 | Confident | 70 Ų | 70 | 73.9 Ų | 73.9 | 43% | 0.429 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121 | -7.6 | -172 | 57.6 | 0 | 0 | 0 | 0 | 112.4 | E175 K180 | E175-T178 PolarHBondContact O-N 3.14Å; E175-T178 PolarHBondContact OE2-OG1 3.03Å; T178-K180 PolarHBondContact O-N 2.89Å; T178-K180 PolarHBondContact OG1-N 3.2Å |
| 179 | N | 62.8 | Low | 76.9 | Confident | 137 Ų | 137 | 68.1 Ų | 68.1 | 73% | 0.733 | 34% | 0.343 | S | S | * | . | trans | 49.4 | 19.6 | -168.4 | -87.8 | -44.9 | 0 | 0 | 0 | 113.4 | E175 | E175-N179 WeakPolarHBondContact O-CA 3.38Å; E175-N179 PolarHBondContact O-N 2.98Å | ||
| 180 | K | 66.1 | Low | 77 | Confident | 144 Ų | 144 | 70 Ų | 70 | 63% | 0.626 | 35% | 0.345 | S | S | * | . | P | Polyproline II helix | trans | -88.7 | 138.6 | 173.1 | -67.2 | -177.9 | -179.7 | -175.3 | 0 | 107.6 | E175 T178 R182 | E175-K180 WeakPolarHBondContact CB-O 3.41Å; E175-K180 PolarHBondContact N-O 3.15Å; T178-K180 PolarHBondContact O-N 2.89Å; T178-K180 PolarHBondContact OG1-N 3.2Å; K180-R182 PolarHBondContact O-N 2.78Å |
| 181 | R | 65.3 | Low | 76.9 | Confident | 83 Ų | 83 | 74.7 Ų | 74.7 | 31% | 0.313 | 37% | 0.367 | S | S | . | . | B | Isolated β-bridge | trans | -60.1 | 126 | 174 | -58.6 | -168 | -178.8 | 135.4 | -11.5 | 107.3 | P150 T152 G183 | P150-R181 HydrophobicContact CB-CB 4.21Å; P150-R181 WeakPolarHBondContact O-CD 3.39Å; P150-R181 PolarHBondContact O-NH1 2.82Å; T152-R181 PolarHBondContact O-NH1 2.8Å; T152-R181 VanDerWaalsContact O-NH1 3.09Å; R181-G183 PolarHBondContact O-N 3.45Å |
| 182 | R | 65.4 | Low | 76.9 | Confident | 123 Ų | 123 | 73.7 Ų | 73.7 | 46% | 0.464 | 36% | 0.362 | S | S | . | . | P | Polyproline II helix | trans | -64.1 | 126 | 166.3 | -56.6 | -176.3 | 109.9 | -172.1 | 2.8 | 103.7 | P173 E175 K180 F184 | P173-R182 WeakPolarHBondContact O-CB 3.45Å; P173-R182 WeakPolarHBondContact O-CG 3.29Å; P173-R182 PolarHBondContact O-N 3.25Å; E175-R182 HydrophobicContact CB-CG 3.76Å; K180-R182 PolarHBondContact O-N 2.78Å; R182-F184 HydrophobicContact CB-CD1 3.6Å; R182-F184 HydrophobicContact CB-CE1 3.24Å; R182-F184 HydrophobicContact CB-CG 4.43Å; R182-F184 HydrophobicContact CB-CZ 3.79Å; R182-F184 HydrophobicContact CG-CE1 4.05Å; R182-F184 HydrophobicContact CG-CZ 4.36Å; R182-F184 PolarHBondContact O-N 2.84Å |
| 183 | G | 76.3 | Confident | 76.9 | Confident | 30 Ų | 30 | 78.2 Ų | 78.2 | 31% | 0.309 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -67.6 | 47.2 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | G146 G147 L148 R181 | G146-G183 CarbonylContact C-O 3.59Å; G147-G183 WeakPolarHBondContact CA-O 3.27Å; G147-G183 PolarHBondContact N-O 3.03Å; L148-G183 PolarHBondContact N-O 2.98Å; L148-G183 CarbonylContact O-C 3.33Å; L148-G183 WeakPolarHBondContact O-CA 3.17Å; R181-G183 PolarHBondContact O-N 3.45Å |
| 184 | F | 84.3 | Confident | 77.2 | Confident | 45 Ų | 45 | 76.2 Ų | 76.2 | 20% | 0.197 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 151.7 | 176.8 | 65.8 | -100.5 | 0 | 0 | 0 | 110.6 | F144 V145 P173 R182 F186 | F144-F184 HydrophobicContact CD2-CB 4.43Å; F144-F184 HydrophobicContact CD2-CD2 4.33Å; F144-F184 HydrophobicContact CE2-CB 3.5Å; F144-F184 HydrophobicContact CE2-CD1 4.39Å; F144-F184 AromaticContact CE2-CD2 3.62Å; F144-F184 HydrophobicContact CE2-CD2 3.62Å; F144-F184 HydrophobicContact CE2-CE2 4.4Å; F144-F184 AromaticContact CE2-CG 3.61Å; F144-F184 HydrophobicContact CE2-CG 3.61Å; F144-F184 HydrophobicContact CZ-CB 3.59Å; F144-F184 HydrophobicContact CZ-CD2 4.48Å; F144-F184 HydrophobicContact CZ-CG 4.03Å; V145-F184 CarbonylContact O-C 3.52Å; V145-F184 WeakPolarHBondContact O-CA 3.44Å; V145-F184 WeakPolarHBondContact O-CB 3.29Å; P173-F184 HydrophobicContact CB-CE2 4.12Å; P173-F184 HydrophobicContact CB-CZ 4.42Å; P173-F184 HydrophobicContact CG-CE2 3.91Å; R182-F184 HydrophobicContact CB-CD1 3.6Å; R182-F184 HydrophobicContact CB-CE1 3.24Å; R182-F184 HydrophobicContact CB-CG 4.43Å; R182-F184 HydrophobicContact CB-CZ 3.79Å; R182-F184 HydrophobicContact CG-CE1 4.05Å; R182-F184 HydrophobicContact CG-CZ 4.36Å; R182-F184 PolarHBondContact O-N 2.84Å; F184-F186 HydrophobicContact CD2-CE2 4.01Å; F184-F186 AromaticContact CE2-CE2 3.73Å; F184-F186 HydrophobicContact CE2-CE2 3.73Å; F184-F186 HydrophobicContact CE2-CZ 4.33Å |
| 185 | C | 85.5 | Confident | 77.4 | Confident | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 164.1 | 170 | 74.3 | 0 | 0 | 0 | 0 | 110.5 | V145 L148 I170 E171 L172 | V145-C185 PolarHBondContact N-O 2.88Å; V145-C185 PolarHBondContact O-N 3.48Å; L148-C185 HydrophobicContact CD1-CB 3.8Å; L148-C185 WeakPolarHBondContact CD1-SG 3.16Å; I170-C185 HydrophobicContact CG2-CB 4.41Å; E171-C185 CarbonylContact O-C 3.57Å; E171-C185 WeakPolarHBondContact O-CA 3.45Å; E171-C185 WeakPolarHBondContact O-CB 3.09Å; L172-C185 HydrophobicContact CD1-CB 4.44Å; L172-C185 HydrophobicContact CD2-CB 4.44Å; L172-C185 HydrophobicContact CG-CB 3.78Å |
| 186 | F | 87.9 | Confident | 78 | Confident | 44 Ų | 44 | 74.3 Ų | 74.3 | 19% | 0.193 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 137 | 166.1 | -59.1 | -90.4 | 0 | 0 | 0 | 109.5 | K142 I143 F144 I170 E171 P173 F184 A216 | K142-F186 HydrophobicContact CD-CB 4.38Å; K142-F186 HydrophobicContact CG-CB 4.28Å; I143-F186 CarbonylContact O-C 3.52Å; I143-F186 VanDerWaalsContact O-CA 3.27Å; I143-F186 WeakPolarHBondContact O-CA 3.27Å; F144-F186 HydrophobicContact CB-CD1 4.12Å; F144-F186 HydrophobicContact CB-CE1 4.05Å; F144-F186 HydrophobicContact CD2-CD1 4.07Å; F144-F186 AromaticContact CD2-CE1 3.53Å; F144-F186 HydrophobicContact CD2-CE1 3.53Å; F144-F186 HydrophobicContact CD2-CE2 4.5Å; F144-F186 AromaticContact CD2-CZ 3.76Å; F144-F186 HydrophobicContact CD2-CZ 3.76Å; F144-F186 HydrophobicContact CE2-CE1 4.49Å; F144-F186 HydrophobicContact CE2-CZ 4.31Å; F144-F186 HydrophobicContact CG-CE1 4.27Å; I170-F186 CarbonylContact C-O 3.54Å; I170-F186 WeakPolarHBondContact CA-O 3.36Å; E171-F186 HydrophobicContact CB-CB 4.29Å; E171-F186 PolarHBondContact N-O 2.78Å; E171-F186 PolarHBondContact O-N 3.24Å; P173-F186 HydrophobicContact CG-CD2 4.2Å; P173-F186 HydrophobicContact CG-CE2 4.13Å; F184-F186 HydrophobicContact CD2-CE2 4.01Å; F184-F186 AromaticContact CE2-CE2 3.73Å; F184-F186 HydrophobicContact CE2-CE2 3.73Å; F184-F186 HydrophobicContact CE2-CZ 4.33Å; F186-A216 HydrophobicContact CD1-CB 3.97Å; F186-A216 HydrophobicContact CE1-CB 4.31Å |
| 187 | I | 87.3 | Confident | 78.6 | Confident | 0 Ų | 0 | 72.1 Ų | 72.1 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 125.1 | 179.4 | -57 | 172.4 | 0 | 0 | 0 | 107.2 | K142 I143 V145 V157 F161 V167 I170 F189 | K142-I187 CarbonylContact C-O 3.55Å; K142-I187 VanDerWaalsContact CA-O 3.24Å; K142-I187 WeakPolarHBondContact CA-O 3.24Å; I143-I187 HydrophobicContact CD1-CB 4.18Å; I143-I187 HydrophobicContact CD1-CD1 4.19Å; I143-I187 HydrophobicContact CG1-CB 3.73Å; I143-I187 HydrophobicContact CG1-CG1 4.48Å; I143-I187 PolarHBondContact N-O 3.12Å; I143-I187 PolarHBondContact O-N 3.37Å; V145-I187 HydrophobicContact CG2-CD1 3.76Å; V145-I187 HydrophobicContact CG2-CG1 4.31Å; V157-I187 HydrophobicContact CG1-CD1 3.53Å; V157-I187 HydrophobicContact CG1-CG1 4.24Å; F161-I187 HydrophobicContact CB-CD1 3.96Å; F161-I187 HydrophobicContact CD1-CD1 4.12Å; F161-I187 HydrophobicContact CD2-CD1 3.08Å; F161-I187 HydrophobicContact CE1-CD1 4.41Å; F161-I187 HydrophobicContact CE2-CD1 3.43Å; F161-I187 VanDerWaalsContact CE2-CD1 3.43Å; F161-I187 HydrophobicContact CG-CD1 3.45Å; F161-I187 VanDerWaalsContact CG-CD1 3.45Å; F161-I187 HydrophobicContact CZ-CD1 4.1Å; V167-I187 HydrophobicContact CB-CG2 4.44Å; V167-I187 HydrophobicContact CG1-CG2 3.65Å; V167-I187 HydrophobicContact CG2-CG2 4Å; I170-I187 HydrophobicContact CG1-CG1 4.38Å; I170-I187 HydrophobicContact CG1-CG2 4.4Å; I170-I187 HydrophobicContact CG2-CG1 4.06Å; I187-F189 HydrophobicContact CB-CE2 4.38Å; I187-F189 HydrophobicContact CG2-CD2 4.17Å; I187-F189 HydrophobicContact CG2-CE1 4.33Å; I187-F189 HydrophobicContact CG2-CE2 3.77Å; I187-F189 HydrophobicContact CG2-CZ 3.85Å |
| 188 | T | 86.8 | Confident | 79.4 | Confident | 20 Ų | 20 | 63 Ų | 63 | 12% | 0.123 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 123.2 | 171.7 | -45.1 | 0 | 0 | 0 | 0 | 108 | K141 E168 S169 | K141-T188 HydrophobicContact CB-CG2 4.36Å; K141-T188 CarbonylContact O-C 3.56Å; K141-T188 WeakPolarHBondContact O-CA 3.46Å; E168-T188 WeakPolarHBondContact CA-O 3.36Å; E168-T188 WeakPolarHBondContact CB-O 3.34Å; E168-T188 PolarHBondContact N-O 3.5Å; S169-T188 PolarHBondContact N-O 3.26Å; S169-T188 VanDerWaalsContact N-O 3.14Å; S169-T188 PolarHBondContact O-N 2.96Å; S169-T188 VanDerWaalsContact OG-CB 3.29Å; S169-T188 WeakPolarHBondContact OG-CB 3.45Å; S169-T188 PolarHBondContact OG-OG1 3.31Å |
| 189 | F | 88 | Confident | 80 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 154.5 | 173.4 | -68.4 | -84.9 | 0 | 0 | 0 | 110.9 | K141 I143 F161 E166 V167 I187 E191 P194 V195 I198 | K141-F189 WeakPolarHBondContact CB-O 3.23Å; K141-F189 PolarHBondContact O-N 3.29Å; I143-F189 HydrophobicContact CD1-CE2 3.57Å; I143-F189 HydrophobicContact CD1-CZ 4.2Å; I143-F189 HydrophobicContact CG1-CD2 4.46Å; I143-F189 HydrophobicContact CG1-CE2 3.81Å; F161-F189 HydrophobicContact CB-CE1 4.36Å; F161-F189 HydrophobicContact CB-CZ 3.98Å; F161-F189 HydrophobicContact CD1-CZ 4.18Å; F161-F189 HydrophobicContact CG-CZ 4.44Å; E166-F189 WeakPolarHBondContact O-CA 3.39Å; V167-F189 HydrophobicContact CG2-CD1 3.95Å; V167-F189 HydrophobicContact CG2-CE1 3.58Å; V167-F189 HydrophobicContact CG2-CZ 4.33Å; I187-F189 HydrophobicContact CB-CE2 4.38Å; I187-F189 HydrophobicContact CG2-CD2 4.17Å; I187-F189 HydrophobicContact CG2-CE1 4.33Å; I187-F189 HydrophobicContact CG2-CE2 3.77Å; I187-F189 HydrophobicContact CG2-CZ 3.85Å; F189-E191 VanDerWaalsContact CB-O 3.27Å; F189-E191 WeakPolarHBondContact CB-O 3.35Å; F189-P194 HydrophobicContact CB-CG 3.76Å; F189-P194 HydrophobicContact CD1-CB 3.71Å; F189-P194 HydrophobicContact CD1-CG 3.56Å; F189-P194 HydrophobicContact CD2-CB 4.32Å; F189-P194 HydrophobicContact CD2-CG 4.24Å; F189-P194 HydrophobicContact CE1-CB 3.76Å; F189-P194 HydrophobicContact CE1-CG 4.16Å; F189-P194 HydrophobicContact CE2-CB 4.34Å; F189-P194 HydrophobicContact CG-CB 3.99Å; F189-P194 HydrophobicContact CG-CG 3.6Å; F189-P194 HydrophobicContact CZ-CB 4.09Å; F189-V195 HydrophobicContact CD2-CG2 3.75Å; F189-V195 HydrophobicContact CE2-CG2 4.38Å; F189-V195 HydrophobicContact CG-CG2 4.49Å; F189-I198 HydrophobicContact CE1-CD1 4.46Å; F189-I198 HydrophobicContact CE2-CD1 3.72Å; F189-I198 HydrophobicContact CZ-CD1 3.47Å; F189-I198 VanDerWaalsContact CZ-CD1 3.47Å |
| 190 | K | 84.8 | Confident | 80.8 | Confident | 86 Ų | 86 | 64.6 Ų | 64.6 | 37% | 0.374 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -67.4 | -41.6 | 170.3 | -67.9 | -170.4 | -178.4 | 175.4 | 0 | 111.6 | K141 E166 E168 | K141-K190 PolarHBondContact NZ-O 3.26Å; E166-K190 HydrophobicContact CB-CD 4.4Å; E166-K190 HydrophobicContact CG-CD 4.08Å; E166-K190 PolarHBondContact O-N 2.87Å; E166-K190 VanDerWaalsContact OE1-CE 3.28Å; E166-K190 WeakPolarHBondContact OE1-CE 3.18Å; E166-K190 IonicContact OE1-NZ 2.68Å; E166-K190 PolarHBondContact OE1-NZ 3.41Å; E166-K190 WeakPolarHBondContact OE2-CD 3.45Å; E166-K190 IonicContact OE2-NZ 3.57Å; E166-K190 PolarHBondContact OE2-NZ 3.05Å; E168-K190 HydrophobicContact CB-CG 3.97Å; E168-K190 HydrophobicContact CG-CG 4.46Å |
| 191 | E | 82.1 | Confident | 81.4 | Confident | 117 Ų | 117 | 63.9 Ų | 63.9 | 55% | 0.547 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -105.3 | 154.7 | -176.7 | -61.9 | -55.3 | 146.4 | 0 | 0 | 112.6 | F189 P194 | F189-E191 VanDerWaalsContact CB-O 3.27Å; F189-E191 WeakPolarHBondContact CB-O 3.35Å; E191-P194 HydrophobicContact CB-CG 4.43Å; E191-P194 WeakPolarHBondContact O-CD 3.41Å; E191-P194 VanDerWaalsContact O-CG 3.3Å; E191-P194 WeakPolarHBondContact O-CG 3.31Å |
| 192 | E | 81.7 | Confident | 81.7 | Confident | 66 Ų | 66 | 67.2 Ų | 67.2 | 31% | 0.308 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -86.8 | -17 | 177 | 59.8 | 164.5 | -139.1 | 0 | 0 | 114.1 | P139 V195 K196 | P139-E192 HydrophobicContact CB-CB 4.25Å; P139-E192 WeakPolarHBondContact CB-OE2 3.38Å; P139-E192 WeakPolarHBondContact CG-OE2 3.5Å; E192-V195 WeakPolarHBondContact O-CB 3.27Å; E192-V195 PolarHBondContact O-N 3.04Å; E192-K196 PolarHBondContact O-N 2.68Å; E192-K196 WeakPolarHBondContact OE1-CE 3.4Å; E192-K196 IonicContact OE1-NZ 2.79Å; E192-K196 PolarHBondContact OE1-NZ 3.41Å |
| 193 | E | 83.4 | Confident | 82.4 | Confident | 132 Ų | 132 | 67.4 Ų | 67.4 | 62% | 0.617 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -58.6 | -48 | 177.4 | -59.6 | -155.9 | 152.7 | 0 | 0 | 114.3 | V195 K196 M197 | E193-V195 PolarHBondContact O-N 3.12Å; E193-K196 PolarHBondContact O-N 2.8Å; E193-K196 VanDerWaalsContact O-N 3.11Å; E193-M197 PolarHBondContact O-N 2.98Å; E193-M197 VanDerWaalsContact O-N 3.12Å |
| 194 | P | 82.9 | Confident | 82.7 | Confident | 3 Ų | 3 | 66.1 Ų | 66.1 | 2% | 0.019 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -55 | -39.6 | 175.2 | 16.4 | -30.7 | 0 | 0 | 0 | 112 | F164 F189 E191 K196 M197 I198 | F164-P194 HydrophobicContact CB-CB 4.28Å; F164-P194 WeakPolarHBondContact O-CB 3.08Å; F189-P194 HydrophobicContact CB-CG 3.76Å; F189-P194 HydrophobicContact CD1-CB 3.71Å; F189-P194 HydrophobicContact CD1-CG 3.56Å; F189-P194 HydrophobicContact CD2-CB 4.32Å; F189-P194 HydrophobicContact CD2-CG 4.24Å; F189-P194 HydrophobicContact CE1-CB 3.76Å; F189-P194 HydrophobicContact CE1-CG 4.16Å; F189-P194 HydrophobicContact CE2-CB 4.34Å; F189-P194 HydrophobicContact CG-CB 3.99Å; F189-P194 HydrophobicContact CG-CG 3.6Å; F189-P194 HydrophobicContact CZ-CB 4.09Å; E191-P194 HydrophobicContact CB-CG 4.43Å; E191-P194 WeakPolarHBondContact O-CD 3.41Å; E191-P194 VanDerWaalsContact O-CG 3.3Å; E191-P194 WeakPolarHBondContact O-CG 3.31Å; P194-K196 VanDerWaalsContact C-N 3.35Å; P194-K196 PolarHBondContact O-N 2.81Å; P194-M197 PolarHBondContact O-N 2.89Å; P194-I198 HydrophobicContact CB-CD1 4.34Å; P194-I198 VanDerWaalsContact O-CB 3.32Å; P194-I198 WeakPolarHBondContact O-CB 3.35Å; P194-I198 VanDerWaalsContact O-CD1 3.22Å; P194-I198 WeakPolarHBondContact O-CD1 3.36Å; P194-I198 WeakPolarHBondContact O-CG1 3.3Å; P194-I198 PolarHBondContact O-N 2.95Å |
| 195 | V | 82.4 | Confident | 82.4 | Confident | 10 Ų | 10 | 69.1 Ų | 69.1 | 6% | 0.061 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.9 | -42.5 | -179.8 | 178.8 | 0 | 0 | 0 | 0 | 111.2 | V140 I143 F189 E192 E193 M199 | V140-V195 HydrophobicContact CG2-CG1 4.45Å; V140-V195 WeakPolarHBondContact O-CG1 3.36Å; V140-V195 WeakPolarHBondContact O-CG2 3.47Å; I143-V195 HydrophobicContact CG2-CB 4.13Å; I143-V195 HydrophobicContact CG2-CG1 3.58Å; I143-V195 HydrophobicContact CG2-CG2 3.84Å; F189-V195 HydrophobicContact CD2-CG2 3.75Å; F189-V195 HydrophobicContact CE2-CG2 4.38Å; F189-V195 HydrophobicContact CG-CG2 4.49Å; E192-V195 WeakPolarHBondContact O-CB 3.27Å; E192-V195 PolarHBondContact O-N 3.04Å; E193-V195 PolarHBondContact O-N 3.12Å; V195-M199 HydrophobicContact CG1-CG 4.22Å; V195-M199 VanDerWaalsContact O-CB 3.25Å; V195-M199 WeakPolarHBondContact O-CB 3.12Å; V195-M199 WeakPolarHBondContact O-CG 2.99Å; V195-M199 PolarHBondContact O-N 2.99Å |
| 196 | K | 82.1 | Confident | 82 | Confident | 126 Ų | 126 | 69.4 Ų | 69.4 | 55% | 0.548 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -64.2 | -45.9 | 178.1 | -67.5 | 176.3 | -170.9 | 166.6 | 0 | 111.4 | E192 E193 P194 I198 M199 E200 | E192-K196 PolarHBondContact O-N 2.68Å; E192-K196 WeakPolarHBondContact OE1-CE 3.4Å; E192-K196 IonicContact OE1-NZ 2.79Å; E192-K196 PolarHBondContact OE1-NZ 3.41Å; E193-K196 PolarHBondContact O-N 2.8Å; E193-K196 VanDerWaalsContact O-N 3.11Å; P194-K196 VanDerWaalsContact C-N 3.35Å; P194-K196 PolarHBondContact O-N 2.81Å; K196-I198 PolarHBondContact O-N 2.87Å; K196-M199 PolarHBondContact O-N 3.28Å; K196-E200 PolarHBondContact O-N 2.71Å; K196-E200 VanDerWaalsContact O-N 3.13Å |
| 197 | M | 81.6 | Confident | 81.3 | Confident | 88 Ų | 88 | 70.4 Ų | 70.4 | 43% | 0.433 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -63.5 | -41.4 | 178.7 | -69.1 | -171.4 | -79.6 | 0 | 0 | 112.6 | F164 E193 P194 E200 | F164-M197 WeakPolarHBondContact O-CE 3.25Å; E193-M197 PolarHBondContact O-N 2.98Å; E193-M197 VanDerWaalsContact O-N 3.12Å; P194-M197 PolarHBondContact O-N 2.89Å; M197-E200 WeakPolarHBondContact O-CB 3.43Å; M197-E200 PolarHBondContact O-N 3.46Å |
| 198 | I | 83.3 | Confident | 80.3 | Confident | 0 Ų | 0 | 79.2 Ų | 79.2 | 0% | 0 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -68.5 | -37.5 | 177.4 | -66.6 | 162.3 | 0 | 0 | 0 | 110.4 | I143 F161 F164 F189 P194 K196 E200 K201 H204 V213 | I143-I198 HydrophobicContact CD1-CD1 3.99Å; I143-I198 HydrophobicContact CD1-CG2 4.16Å; F161-I198 HydrophobicContact CD1-CD1 3.6Å; F161-I198 HydrophobicContact CD1-CG1 4.31Å; F161-I198 HydrophobicContact CE1-CD1 3.95Å; F161-I198 HydrophobicContact CE1-CG1 4.34Å; F161-I198 HydrophobicContact CE1-CG2 4.03Å; F164-I198 HydrophobicContact CB-CD1 4.06Å; F164-I198 HydrophobicContact CB-CG1 4.15Å; F164-I198 HydrophobicContact CD1-CG1 4.11Å; F164-I198 HydrophobicContact CD2-CG1 4.47Å; F164-I198 HydrophobicContact CG-CD1 4.32Å; F164-I198 HydrophobicContact CG-CG1 3.98Å; F189-I198 HydrophobicContact CE1-CD1 4.46Å; F189-I198 HydrophobicContact CE2-CD1 3.72Å; F189-I198 HydrophobicContact CZ-CD1 3.47Å; F189-I198 VanDerWaalsContact CZ-CD1 3.47Å; P194-I198 HydrophobicContact CB-CD1 4.34Å; P194-I198 VanDerWaalsContact O-CB 3.32Å; P194-I198 WeakPolarHBondContact O-CB 3.35Å; P194-I198 VanDerWaalsContact O-CD1 3.22Å; P194-I198 WeakPolarHBondContact O-CD1 3.36Å; P194-I198 WeakPolarHBondContact O-CG1 3.3Å; P194-I198 PolarHBondContact O-N 2.95Å; K196-I198 PolarHBondContact O-N 2.87Å; I198-E200 VanDerWaalsContact C-N 3.27Å; I198-E200 PolarHBondContact O-N 3.34Å; I198-K201 CarbonylContact O-C 3.57Å; I198-K201 PolarHBondContact O-N 2.78Å; I198-H204 WeakPolarHBondContact CG2-NE2 3.02Å; I198-H204 PolarHBondContact O-NE2 3.41Å; I198-V213 HydrophobicContact CG2-CB 3.76Å; I198-V213 HydrophobicContact CG2-CG1 3.48Å; I198-V213 VanDerWaalsContact CG2-CG1 3.48Å; I198-V213 HydrophobicContact CG2-CG2 3.77Å |
| 199 | M | 80.1 | Confident | 79.8 | Confident | 74 Ų | 74 | 79.6 Ų | 79.6 | 37% | 0.365 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -67.8 | -25 | 177.3 | -76.2 | -70 | -61 | 0 | 0 | 113.6 | V195 K196 K201 V215 | V195-M199 HydrophobicContact CG1-CG 4.22Å; V195-M199 VanDerWaalsContact O-CB 3.25Å; V195-M199 WeakPolarHBondContact O-CB 3.12Å; V195-M199 WeakPolarHBondContact O-CG 2.99Å; V195-M199 PolarHBondContact O-N 2.99Å; K196-M199 PolarHBondContact O-N 3.28Å; M199-K201 VanDerWaalsContact C-N 3.32Å; M199-V215 HydrophobicContact CE-CG2 3.64Å; M199-V215 HydrophobicContact CG-CG2 4.44Å; M199-V215 HydrophobicContact SD-CG2 3.81Å |
| 200 | E | 79.8 | Confident | 79.5 | Confident | 166 Ų | 166 | 85.6 Ų | 85.6 | 78% | 0.776 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -65.9 | -37.5 | 173.1 | -166.2 | 172.6 | -175.5 | 0 | 0 | 111.2 | K196 M197 I198 | K196-E200 PolarHBondContact O-N 2.71Å; K196-E200 VanDerWaalsContact O-N 3.13Å; M197-E200 WeakPolarHBondContact O-CB 3.43Å; M197-E200 PolarHBondContact O-N 3.46Å; I198-E200 VanDerWaalsContact C-N 3.27Å; I198-E200 PolarHBondContact O-N 3.34Å |
| 201 | K | 77.7 | Confident | 79.5 | Confident | 129 Ų | 129 | 81.5 Ų | 81.5 | 56% | 0.561 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -97.6 | 91.3 | 175.2 | -68.3 | 179.8 | -176.3 | 173.7 | 0 | 110.5 | I198 M199 Y203 H204 | I198-K201 CarbonylContact O-C 3.57Å; I198-K201 PolarHBondContact O-N 2.78Å; M199-K201 VanDerWaalsContact C-N 3.32Å; K201-Y203 PolarHBondContact O-N 2.79Å; K201-H204 PolarHBondContact O-CD2 2.79Å; K201-H204 PolarHBondContact O-NE2 3.27Å |
| 202 | K | 71.5 | Confident | 79.6 | Confident | 153 Ų | 153 | 79.1 Ų | 79.1 | 67% | 0.665 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -52.4 | -23.5 | -179.5 | -67.3 | -177.2 | 179.1 | 176.8 | 0 | 115.7 | V213 | K202-V213 PolarHBondContact O-N 2.76Š|
| 203 | Y | 81.6 | Confident | 79.8 | Confident | 127 Ų | 127 | 76.4 Ų | 76.4 | 50% | 0.498 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 135.1 | 179.9 | -58.5 | -75 | 0 | 0 | 0 | 111.7 | K201 K210 C211 E212 | K201-Y203 PolarHBondContact O-N 2.79Å; Y203-K210 VanDerWaalsContact CB-CE 3.44Å; Y203-K210 HydrophobicContact CD1-CD 4.32Å; Y203-K210 HydrophobicContact CD1-CG 4.26Å; Y203-K210 HydrophobicContact CG-CD 4.49Å; Y203-C211 CarbonylContact C-O 3.54Å; Y203-C211 VanDerWaalsContact CA-O 3.31Å; Y203-C211 WeakPolarHBondContact CA-O 3.43Å; Y203-E212 HydrophobicContact CD1-CB 4.31Å; Y203-E212 HydrophobicContact CE1-CB 4.28Å; Y203-E212 HydrophobicContact CE1-CG 4.21Å |
| 204 | H | 81.8 | Confident | 79.8 | Confident | 3 Ų | 3 | 74.8 Ų | 74.8 | 1% | 0.014 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 139.3 | 177.1 | -69.7 | -94.4 | 0 | 0 | 0 | 109.5 | Y160 I198 K201 C211 | Y160-H204 HydrophobicContact CE1-CB 3.84Å; Y160-H204 AromaticContact CE1-CG 3.95Å; Y160-H204 AromaticContact CE1-ND1 3.46Å; Y160-H204 WeakPolarHBondContact CE1-ND1 3.36Å; Y160-H204 AromaticContact CZ-ND1 3.69Å; Y160-H204 PolarHBondContact OH-ND1 3.09Å; I198-H204 WeakPolarHBondContact CG2-NE2 3.02Å; I198-H204 PolarHBondContact O-NE2 3.41Å; K201-H204 PolarHBondContact O-CD2 2.79Å; K201-H204 PolarHBondContact O-NE2 3.27Å; H204-C211 PolarHBondContact N-O 2.81Å; H204-C211 WeakPolarHBondContact O-CA 3.37Å; H204-C211 WeakPolarHBondContact O-CB 3.38Å; H204-C211 PolarHBondContact O-N 3.39Å |
| 205 | N | 79.2 | Confident | 79.7 | Confident | 108 Ų | 108 | 76.5 Ų | 76.5 | 58% | 0.578 | 38% | 0.378 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 116.5 | 177.7 | -66.4 | -16.1 | 0 | 0 | 0 | 108.7 | ||
| 206 | I | 76.7 | Confident | 79.2 | Confident | 6 Ų | 6 | 76.4 Ų | 76.4 | 3% | 0.031 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 106.1 | 178.9 | -57.5 | 174 | 0 | 0 | 0 | 107.5 | L148 T152 Y160 F161 L208 S209 C211 | L148-I206 HydrophobicContact CD2-CB 4.25Å; L148-I206 HydrophobicContact CD2-CD1 4.02Å; L148-I206 HydrophobicContact CD2-CG2 4.32Å; T152-I206 HydrophobicContact CG2-CG2 3.92Å; Y160-I206 HydrophobicContact CD1-CD1 3.96Å; Y160-I206 HydrophobicContact CD1-CG1 3.89Å; Y160-I206 HydrophobicContact CE1-CD1 4.48Å; Y160-I206 HydrophobicContact CE1-CG1 4.24Å; Y160-I206 HydrophobicContact CG-CD1 4.46Å; Y160-I206 HydrophobicContact CG-CG1 4.09Å; F161-I206 HydrophobicContact CD2-CD1 4.14Å; F161-I206 HydrophobicContact CE2-CD1 3.31Å; F161-I206 HydrophobicContact CZ-CD1 3.85Å; I206-L208 PolarHBondContact O-N 3.36Å; I206-S209 PolarHBondContact N-O 3.45Å; I206-S209 PolarHBondContact O-N 2.96Å; I206-C211 HydrophobicContact CD1-CB 4.42Å |
| 207 | G | 72.3 | Confident | 78.6 | Confident | 64 Ų | 64 | 73.1 Ų | 73.1 | 66% | 0.66 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.8 | -122.9 | -171.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 208 | L | 67 | Low | 77.6 | Confident | 186 Ų | 186 | 71.9 Ų | 71.9 | 97% | 0.974 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.6 | 1 | 179.4 | -66.6 | 168.8 | 0 | 0 | 0 | 113.2 | I206 | I206-L208 PolarHBondContact O-N 3.36Š|
| 209 | S | 75.1 | Confident | 76.4 | Confident | 27 Ų | 27 | 80.4 Ų | 80.4 | 19% | 0.189 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 138 | -173.1 | -58.4 | 0 | 0 | 0 | 0 | 112.1 | S149 I206 | S149-S209 WeakPolarHBondContact CB-OG 3.25Å; I206-S209 PolarHBondContact N-O 3.45Å; I206-S209 PolarHBondContact O-N 2.96Å |
| 210 | K | 82.6 | Confident | 75.3 | Confident | 127 Ų | 127 | 84.1 Ų | 84.1 | 55% | 0.552 | 42% | 0.422 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86 | 113.7 | 171.7 | -176.8 | 176.6 | 179.5 | -178.9 | 0 | 108.9 | Y203 | Y203-K210 VanDerWaalsContact CB-CE 3.44Å; Y203-K210 HydrophobicContact CD1-CD 4.32Å; Y203-K210 HydrophobicContact CD1-CG 4.26Å; Y203-K210 HydrophobicContact CG-CD 4.49Å |
| 211 | C | 84.6 | Confident | 74.2 | Confident | 0 Ų | 0 | 80.4 Ų | 80.4 | 0% | 0 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 139.8 | -179.8 | -51.1 | 0 | 0 | 0 | 0 | 110.6 | V145 G146 L148 Y203 H204 I206 | V145-C211 HydrophobicContact CG1-CB 3.76Å; G146-C211 CarbonylContact O-C 3.39Å; G146-C211 WeakPolarHBondContact O-CA 3.46Å; G146-C211 WeakPolarHBondContact O-CB 3.49Å; L148-C211 WeakPolarHBondContact CD2-SG 3.17Å; Y203-C211 CarbonylContact C-O 3.54Å; Y203-C211 VanDerWaalsContact CA-O 3.31Å; Y203-C211 WeakPolarHBondContact CA-O 3.43Å; H204-C211 PolarHBondContact N-O 2.81Å; H204-C211 WeakPolarHBondContact O-CA 3.37Å; H204-C211 WeakPolarHBondContact O-CB 3.38Å; H204-C211 PolarHBondContact O-N 3.39Å; I206-C211 HydrophobicContact CD1-CB 4.42Å |
| 212 | E | 84.8 | Confident | 73.3 | Confident | 67 Ų | 67 | 81.1 Ų | 81.1 | 31% | 0.313 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 129.7 | 172.7 | -175.7 | -173.7 | -158.4 | 0 | 0 | 108.6 | V145 G146 Y203 K214 | V145-E212 CarbonylContact C-O 3.59Å; V145-E212 WeakPolarHBondContact CA-O 3.48Å; G146-E212 PolarHBondContact N-O 3.21Å; G146-E212 PolarHBondContact O-N 3.12Å; Y203-E212 HydrophobicContact CD1-CB 4.31Å; Y203-E212 HydrophobicContact CE1-CB 4.28Å; Y203-E212 HydrophobicContact CE1-CG 4.21Å; E212-K214 VanDerWaalsContact CD-CE 3.41Å; E212-K214 WeakPolarHBondContact OE1-CE 3.05Å; E212-K214 IonicContact OE1-NZ 2.66Å; E212-K214 PolarHBondContact OE1-NZ 3.09Å; E212-K214 IonicContact OE2-NZ 2.99Å; E212-K214 PolarHBondContact OE2-NZ 3.02Å |
| 213 | V | 85.9 | Confident | 72.6 | Confident | 9 Ų | 9 | 79.9 Ų | 79.9 | 6% | 0.055 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 133.5 | 176.2 | -171.7 | 0 | 0 | 0 | 0 | 110.6 | I143 F144 V145 F161 I198 K202 | I143-V213 HydrophobicContact CB-CG1 3.92Å; I143-V213 HydrophobicContact CD1-CG1 3.83Å; I143-V213 HydrophobicContact CG1-CG1 4.4Å; I143-V213 HydrophobicContact CG2-CG1 4.35Å; F144-V213 CarbonylContact O-C 3.42Å; F144-V213 WeakPolarHBondContact O-CA 3.2Å; V145-V213 HydrophobicContact CG1-CG2 4.26Å; V145-V213 HydrophobicContact CG2-CG1 4.45Å; V145-V213 HydrophobicContact CG2-CG2 4.15Å; F161-V213 HydrophobicContact CE1-CG2 4.29Å; F161-V213 HydrophobicContact CZ-CG2 4.11Å; I198-V213 HydrophobicContact CG2-CB 3.76Å; I198-V213 HydrophobicContact CG2-CG1 3.48Å; I198-V213 VanDerWaalsContact CG2-CG1 3.48Å; I198-V213 HydrophobicContact CG2-CG2 3.77Å; K202-V213 PolarHBondContact O-N 2.76Å |
| 214 | K | 83.8 | Confident | 71.3 | Confident | 97 Ų | 97 | 79.8 Ų | 79.8 | 42% | 0.422 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 154.3 | 175.9 | -71.4 | 173.7 | 168.1 | 143.1 | 0 | 109.7 | F144 E212 A216 | F144-K214 HydrophobicContact CB-CB 4.48Å; F144-K214 HydrophobicContact CD1-CB 4.19Å; F144-K214 PolarHBondContact N-O 3.38Å; F144-K214 PolarHBondContact O-N 3.24Å; E212-K214 VanDerWaalsContact CD-CE 3.41Å; E212-K214 WeakPolarHBondContact OE1-CE 3.05Å; E212-K214 IonicContact OE1-NZ 2.66Å; E212-K214 PolarHBondContact OE1-NZ 3.09Å; E212-K214 IonicContact OE2-NZ 2.99Å; E212-K214 PolarHBondContact OE2-NZ 3.02Å; K214-A216 PolarHBondContact O-N 3.19Å |
| 215 | V | 80.7 | Confident | 70.1 | Confident | 40 Ų | 40 | 85.5 Ų | 85.5 | 24% | 0.242 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.7 | 123.3 | 164.4 | 159 | 0 | 0 | 0 | 0 | 109 | V140 M199 V217 | V140-V215 HydrophobicContact CB-CG1 4Å; V140-V215 HydrophobicContact CG1-CG1 3.79Å; V140-V215 HydrophobicContact CG2-CB 3.8Å; V140-V215 HydrophobicContact CG2-CG1 3.24Å; V140-V215 HydrophobicContact CG2-CG2 3.61Å; M199-V215 HydrophobicContact CE-CG2 3.64Å; M199-V215 HydrophobicContact CG-CG2 4.44Å; M199-V215 HydrophobicContact SD-CG2 3.81Å; V215-V217 PolarHBondContact O-N 3.03Å |
| 216 | A | 71.4 | Confident | 68.8 | Low | 7 Ų | 7 | 86.7 Ų | 86.7 | 6% | 0.058 | 43% | 0.434 | C | S | . | . | P | Polyproline II helix | trans | -70.9 | 120.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | V140 K142 F144 F186 K214 | V140-A216 WeakPolarHBondContact CG1-O 3.49Å; K142-A216 HydrophobicContact CB-CB 3.88Å; K142-A216 HydrophobicContact CD-CB 4.38Å; K142-A216 HydrophobicContact CG-CB 3.69Å; K142-A216 WeakPolarHBondContact O-CB 3.3Å; K142-A216 PolarHBondContact O-N 2.96Å; K142-A216 VanDerWaalsContact O-N 3.08Å; F144-A216 HydrophobicContact CB-CB 4.37Å; F186-A216 HydrophobicContact CD1-CB 3.97Å; F186-A216 HydrophobicContact CE1-CB 4.31Å; K214-A216 PolarHBondContact O-N 3.19Å |
| 217 | V | 68.6 | Low | 67.4 | Low | 58 Ų | 58 | 95.5 Ų | 95.5 | 35% | 0.352 | 47% | 0.468 | S | S | . | . | P | Polyproline II helix | trans | -86.9 | 133.2 | 171 | -176.9 | 0 | 0 | 0 | 0 | 107.3 | V215 Q221 | V215-V217 PolarHBondContact O-N 3.03Å; V217-Q221 HydrophobicContact CG1-CB 3.43Å; V217-Q221 VanDerWaalsContact CG1-CB 3.43Å |
| 218 | S | 60.3 | Low | 65.9 | Low | 61 Ų | 61 | 102.4 Ų | 102.4 | 43% | 0.427 | 47% | 0.474 | S | S | . | . | P | Polyproline II helix | trans | -58.6 | 147.4 | 177.4 | 73.8 | 0 | 0 | 0 | 0 | 110.2 | E220 Q221 Y222 | S218-E220 PolarHBondContact O-N 3.12Å; S218-E220 VanDerWaalsContact O-N 3.12Å; S218-Q221 PolarHBondContact O-N 2.93Å; S218-Q221 PolarHBondContact OG-N 2.63Å; S218-Y222 PolarHBondContact O-N 2.77Å |
| 219 | K | 59.9 | Low | 64.6 | Low | 180 Ų | 180 | 97.2 Ų | 97.2 | 78% | 0.783 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -54.9 | -34.5 | -179.2 | -168.4 | 177.4 | 179.3 | -175.6 | 0 | 111.7 | Q223 | K219-Q223 WeakPolarHBondContact O-CB 3.35Å; K219-Q223 PolarHBondContact O-N 2.93Å |
| 220 | E | 57.2 | Low | 63.1 | Low | 151 Ų | 151 | 99.3 Ų | 99.3 | 71% | 0.706 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -68.7 | -43.3 | 177.1 | -165.7 | 174.9 | -178.6 | 0 | 0 | 112.6 | S218 Q223 Q224 | S218-E220 PolarHBondContact O-N 3.12Å; S218-E220 VanDerWaalsContact O-N 3.12Å; E220-Q223 PolarHBondContact O-N 3.29Å; E220-Q224 WeakPolarHBondContact O-CB 3.41Å; E220-Q224 PolarHBondContact O-N 2.83Å |
| 221 | Q | 55.1 | Low | 61.3 | Low | 89 Ų | 89 | 104.2 Ų | 104.2 | 42% | 0.416 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.9 | -38.3 | 173.4 | -85.3 | 179.7 | -6.6 | 0 | 0 | 112.5 | V217 S218 Q224 Q225 | V217-Q221 HydrophobicContact CG1-CB 3.43Å; V217-Q221 VanDerWaalsContact CG1-CB 3.43Å; S218-Q221 PolarHBondContact O-N 2.93Å; S218-Q221 PolarHBondContact OG-N 2.63Å; Q221-Q224 PolarHBondContact O-N 3.24Å; Q221-Q225 PolarHBondContact O-N 3.46Å |
| 222 | Y | 59.6 | Low | 59.1 | Low | 144 Ų | 144 | 107 Ų | 107 | 57% | 0.565 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -65.8 | -40.1 | 176.9 | -168.7 | -95.9 | 0 | 0 | 0 | 111.6 | S218 Q225 Q226 | S218-Y222 PolarHBondContact O-N 2.77Å; Y222-Q225 PolarHBondContact O-N 3.21Å; Y222-Q226 HydrophobicContact CE1-CG 4.43Å; Y222-Q226 WeakPolarHBondContact O-CG 3.46Å; Y222-Q226 PolarHBondContact O-N 3.45Å |
| 223 | Q | 57.1 | Low | 56.8 | Low | 126 Ų | 126 | 107.3 Ų | 107.3 | 59% | 0.589 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -68.8 | -34.8 | 176.8 | -150.2 | 164.6 | 36.2 | 0 | 0 | 111.7 | K219 E220 Y227 | K219-Q223 WeakPolarHBondContact O-CB 3.35Å; K219-Q223 PolarHBondContact O-N 2.93Å; E220-Q223 PolarHBondContact O-N 3.29Å; Q223-Y227 PolarHBondContact O-N 2.87Å |
| 224 | Q | 54.7 | Low | 54.6 | Low | 125 Ų | 125 | 117.1 Ų | 117.1 | 58% | 0.584 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -73.1 | -32.7 | 176.2 | -160.6 | 169.3 | 69.7 | 0 | 0 | 113.1 | E220 Q221 Y227 W228 | E220-Q224 WeakPolarHBondContact O-CB 3.41Å; E220-Q224 PolarHBondContact O-N 2.83Å; Q221-Q224 PolarHBondContact O-N 3.24Å; Q224-Y227 WeakPolarHBondContact O-CB 3.41Å; Q224-Y227 PolarHBondContact O-N 3.31Å; Q224-W228 PolarHBondContact O-N 3.21Å |
| 225 | Q | 55.3 | Low | 52.3 | Low | 124 Ų | 124 | 116.7 Ų | 116.7 | 58% | 0.579 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -67.6 | -34.7 | 173.1 | -84.6 | 178.2 | 11.6 | 0 | 0 | 113.1 | Q221 Y222 Y227 W228 G229 | Q221-Q225 PolarHBondContact O-N 3.46Å; Y222-Q225 PolarHBondContact O-N 3.21Å; Q225-Y227 PolarHBondContact O-N 3.08Å; Q225-W228 PolarHBondContact O-N 2.97Å; Q225-G229 PolarHBondContact O-N 3.45Å; Q225-G229 VanDerWaalsContact O-N 3.12Å |
| 226 | Q | 52.6 | Low | 50.7 | Low | 132 Ų | 132 | 120.1 Ų | 120.1 | 62% | 0.617 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -64.9 | -29.5 | 172.8 | -69.2 | -75.3 | -51.1 | 0 | 0 | 112 | Y222 | Y222-Q226 HydrophobicContact CE1-CG 4.43Å; Y222-Q226 WeakPolarHBondContact O-CG 3.46Å; Y222-Q226 PolarHBondContact O-N 3.45Å |
| 227 | Y | 47.2 | Very low | 49.1 | Very low | 191 Ų | 191 | 130.1 Ų | 130.1 | 75% | 0.749 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -74.2 | -22.5 | 175 | -97.3 | -90.7 | 0 | 0 | 0 | 114.1 | Q223 Q224 Q225 | Q223-Y227 PolarHBondContact O-N 2.87Å; Q224-Y227 WeakPolarHBondContact O-CB 3.41Å; Q224-Y227 PolarHBondContact O-N 3.31Å; Q225-Y227 PolarHBondContact O-N 3.08Å |
| 228 | W | 39.8 | Very low | 48.1 | Very low | 209 Ų | 209 | 132.9 Ų | 132.9 | 79% | 0.792 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -94.2 | -19.3 | 176.7 | -82.7 | 79.6 | 0 | 0 | 0 | 113.9 | Q224 Q225 G230 | Q224-W228 PolarHBondContact O-N 3.21Å; Q225-W228 PolarHBondContact O-N 2.97Å; W228-G230 PolarHBondContact O-N 2.92Å |
| 229 | G | 40 | Very low | 47 | Very low | 77 Ų | 77 | 140.9 Ų | 140.9 | 79% | 0.794 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.6 | -8.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q225 | Q225-G229 PolarHBondContact O-N 3.45Å; Q225-G229 VanDerWaalsContact O-N 3.12Å |
| 230 | G | 44.3 | Very low | 45.9 | Very low | 71 Ų | 71 | 135.6 Ų | 135.6 | 73% | 0.732 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.8 | 1.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | W228 | W228-G230 PolarHBondContact O-N 2.92Š|
| 231 | R | 44.2 | Very low | 44.9 | Very low | 230 Ų | 230 | 140.4 Ų | 140.4 | 87% | 0.868 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -128 | 53.7 | -171 | -149.4 | 179 | -170.2 | -171.8 | 2.7 | 112.4 | ||
| 232 | G | 38.8 | Very low | 43.9 | Very low | 58 Ų | 58 | 139.8 Ų | 139.8 | 60% | 0.598 | 73% | 0.733 | S | S | * | * | trans | -152.4 | 42.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 233 | G | 37.5 | Very low | 42.6 | Very low | 74 Ų | 74 | 137.2 Ų | 137.2 | 76% | 0.763 | 75% | 0.751 | S | S | * | * | trans | -107.9 | 41.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | S235 | G233-S235 PolarHBondContact O-N 3.06Å; G233-S235 VanDerWaalsContact O-N 3.08Å | ||
| 234 | Y | 39.8 | Very low | 41.5 | Very low | 216 Ų | 216 | 134.5 Ų | 134.5 | 85% | 0.847 | 76% | 0.757 | S | S | * | * | trans | -80.6 | 51.3 | 161.7 | 49.4 | -92.1 | 0 | 0 | 0 | 109.9 | S236 | Y234-S236 PolarHBondContact O-N 3.32Š| ||
| 235 | S | 35.3 | Very low | 41 | Very low | 87 Ų | 87 | 134.7 Ų | 134.7 | 61% | 0.608 | 77% | 0.769 | S | S | * | * | trans | -75.4 | 105.8 | 155.5 | -173.7 | 0 | 0 | 0 | 0 | 105.4 | G233 R237 | G233-S235 PolarHBondContact O-N 3.06Å; G233-S235 VanDerWaalsContact O-N 3.08Å; S235-R237 VanDerWaalsContact C-N 3.26Å; S235-R237 PolarHBondContact O-N 2.76Å | ||
| 236 | S | 46.3 | Very low | 39.8 | Very low | 113 Ų | 113 | 135.1 Ų | 135.1 | 79% | 0.79 | 78% | 0.775 | S | S | * | * | trans | -39 | 97 | 153.9 | -177 | 0 | 0 | 0 | 0 | 109 | Y234 | Y234-S236 PolarHBondContact O-N 3.32Š| ||
| 237 | R | 38.1 | Very low | 39 | Very low | 217 Ų | 217 | 136.8 Ų | 136.8 | 82% | 0.819 | 78% | 0.783 | S | S | * | * | trans | -110.1 | 83.4 | 156.9 | -78 | -173.7 | -175.7 | 170.6 | 2.6 | 104.8 | S235 R239 | S235-R237 VanDerWaalsContact C-N 3.26Å; S235-R237 PolarHBondContact O-N 2.76Å; R237-R239 PolarHBondContact O-N 2.85Å | ||
| 238 | S | 46.4 | Very low | 38.1 | Very low | 115 Ų | 115 | 133.3 Ų | 133.3 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | trans | -51.1 | 92.7 | 145.6 | -160.4 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 239 | R | 38.1 | Very low | 37.5 | Very low | 230 Ų | 230 | 134.4 Ų | 134.4 | 87% | 0.868 | 79% | 0.791 | S | S | * | * | trans | -139.9 | 91.1 | 156.7 | -83.5 | -162.7 | -175.2 | 174.2 | 1.6 | 106.3 | R237 | R237-R239 PolarHBondContact O-N 2.85Š| ||
| 240 | G | 36 | Very low | 37.1 | Very low | 69 Ų | 69 | 135.7 Ų | 135.7 | 71% | 0.711 | 78% | 0.779 | S | S | * | * | trans | -60.6 | 173.9 | 156.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 241 | R | 36.4 | Very low | 36.4 | Very low | 252 Ų | 252 | 140.5 Ų | 140.5 | 95% | 0.951 | 78% | 0.783 | S | S | * | * | trans | 72.4 | 117.2 | -174.8 | -66.6 | -177.5 | 166.4 | -139.9 | -1.5 | 112.7 | ||||
| 242 | G | 33.9 | Very low | 35.8 | Very low | 75 Ų | 75 | 133.2 Ų | 133.2 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | cis | 121.3 | 122.4 | 37.6 | 0 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 243 | G | 33.7 | Very low | 35.2 | Very low | 90 Ų | 90 | 142.3 Ų | 142.3 | 93% | 0.928 | 80% | 0.798 | S | S | * | * | trans | -59.7 | 150.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 244 | G | 33.2 | Very low | 34.9 | Very low | 70 Ų | 70 | 142.6 Ų | 142.6 | 72% | 0.722 | 80% | 0.8 | S | S | * | * | trans | 175.5 | 115.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 245 | P | 43.6 | Very low | 34.4 | Very low | 128 Ų | 128 | 139.5 Ų | 139.5 | 83% | 0.831 | 80% | 0.799 | S | S | * | * | trans | -86 | 168.7 | -170.3 | 34.7 | -33.1 | 0 | 0 | 0 | 112.3 | ||||
| 246 | N | 31.5 | Very low | 34 | Very low | 134 Ų | 134 | 144.5 Ų | 144.5 | 72% | 0.717 | 81% | 0.806 | S | S | * | * | trans | 109.4 | 131.8 | 154.7 | -109.1 | -34.2 | 0 | 0 | 0 | 119.2 | ||||
| 247 | Q | 35 | Very low | 33.1 | Very low | 166 Ų | 166 | 149.1 Ų | 149.1 | 78% | 0.776 | 81% | 0.806 | S | S | * | * | trans | 68.4 | 107.6 | 148.1 | -68.1 | 152.6 | 40.4 | 0 | 0 | 118.7 | ||||
| 248 | S | 29.1 | Very low | 32.7 | Very low | 118 Ų | 118 | 144.5 Ų | 144.5 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | -165 | 117 | 111.9 | -162.5 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 249 | W | 26.9 | Very low | 31.8 | Very low | 232 Ų | 232 | 147.2 Ų | 147.2 | 88% | 0.879 | 80% | 0.797 | S | S | * | * | trans | -84 | 135.4 | 159.4 | -98.9 | 83 | 0 | 0 | 0 | 108.2 | ||||
| 250 | N | 30.4 | Very low | 31.3 | Very low | 104 Ų | 104 | 139.3 Ų | 139.3 | 56% | 0.556 | 79% | 0.788 | S | S | * | * | trans | 79.9 | 132.9 | 141.7 | -125 | -30.1 | 0 | 0 | 0 | 122.3 | ||||
| 251 | Q | 31.2 | Very low | 30.9 | Very low | 172 Ų | 172 | 147.3 Ų | 147.3 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | trans | 72.6 | 130.9 | 141.8 | -90.9 | 152.1 | 57 | 0 | 0 | 120.4 | ||||
| 252 | G | 29.7 | Very low | 30.5 | Very low | 78 Ų | 78 | 138.9 Ų | 138.9 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | trans | 156.4 | 82.9 | 151.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 253 | Y | 26.8 | Very low | 30.3 | Very low | 248 Ų | 248 | 142 Ų | 142 | 97% | 0.973 | 79% | 0.789 | S | S | * | * | trans | -54.1 | 142.7 | 155 | -97.9 | -109.4 | 0 | 0 | 0 | 110.6 | ||||
| 254 | G | 30.8 | Very low | 30.1 | Very low | 80 Ų | 80 | 148.1 Ų | 148.1 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | trans | 174.1 | 111.8 | 170 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 255 | N | 29.2 | Very low | 29.9 | Very low | 152 Ų | 152 | 148.5 Ų | 148.5 | 81% | 0.813 | 79% | 0.789 | S | S | * | * | trans | -67.6 | 165.5 | -177.5 | -79.6 | -12.8 | 0 | 0 | 0 | 116.7 | ||||
| 256 | Y | 28.8 | Very low | 29.3 | Very low | 192 Ų | 192 | 150 Ų | 150 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | trans | 74.8 | 115.6 | 134.7 | -99.7 | -118.9 | 0 | 0 | 0 | 121.6 | ||||
| 257 | W | 25.6 | Very low | 29.2 | Very low | 210 Ų | 210 | 154.3 Ų | 154.3 | 80% | 0.795 | 80% | 0.798 | S | S | * | * | trans | 57.8 | 145.3 | 131.2 | -75.3 | 80.5 | 0 | 0 | 0 | 122.5 | ||||
| 258 | N | 30 | Very low | 28.9 | Very low | 119 Ų | 119 | 150 Ų | 150 | 64% | 0.636 | 80% | 0.798 | S | S | * | * | trans | 99 | 101.2 | 153.8 | -143.9 | -100.1 | 0 | 0 | 0 | 114.9 | ||||
| 259 | Q | 28.3 | Very low | 28.9 | Very low | 172 Ų | 172 | 155.6 Ų | 155.6 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | 80 | 133.9 | 82 | -152.6 | 176.3 | 62 | 0 | 0 | 111.7 | |||||
| 260 | G | 27.4 | Very low | 29.1 | Very low | 65 Ų | 65 | 148.3 Ų | 148.3 | 67% | 0.67 | 80% | 0.799 | S | S | * | * | trans | 132 | 95.1 | 156.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 261 | Y | 27.6 | Very low | 29.1 | Very low | 236 Ų | 236 | 149.7 Ų | 149.7 | 93% | 0.925 | 81% | 0.807 | S | S | * | * | 43.6 | 125.3 | 128.5 | -85.2 | -97.5 | 0 | 0 | 0 | 120.7 | |||||
| 262 | G | 28.9 | Very low | 29 | Very low | 75 Ų | 75 | 149.4 Ų | 149.4 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | trans | -69.3 | 169.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 263 | N | 28.7 | Very low | 28.9 | Very low | 142 Ų | 142 | 149 Ų | 149 | 76% | 0.759 | 80% | 0.802 | S | S | * | * | trans | -159.5 | 119 | 159.4 | -157.4 | 1.6 | 0 | 0 | 0 | 110.8 | ||||
| 264 | Y | 30.4 | Very low | 28.9 | Very low | 218 Ų | 218 | 148.6 Ų | 148.6 | 86% | 0.855 | 80% | 0.8 | S | S | * | * | trans | 35.1 | 117.2 | 143.4 | -74.3 | -114.4 | 0 | 0 | 0 | 121.6 | ||||
| 265 | G | 28.6 | Very low | 28.9 | Very low | 77 Ų | 77 | 148.6 Ų | 148.6 | 79% | 0.794 | 80% | 0.8 | S | S | * | * | 49.4 | 118.6 | 112.7 | 0 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 266 | N | 29.6 | Very low | 29 | Very low | 161 Ų | 161 | 144.4 Ų | 144.4 | 86% | 0.861 | 79% | 0.793 | S | S | * | * | trans | -147.3 | 118.1 | 149.6 | -159.1 | -66.6 | 0 | 0 | 0 | 110.9 | ||||
| 267 | Y | 30.8 | Very low | 29 | Very low | 224 Ų | 224 | 147 Ų | 147 | 88% | 0.878 | 80% | 0.803 | S | S | * | * | trans | -78.9 | 133.9 | 169.5 | -95.5 | -102.5 | 0 | 0 | 0 | 109.7 | ||||
| 268 | G | 28.8 | Very low | 29.3 | Very low | 75 Ų | 75 | 140.9 Ų | 140.9 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | trans | -154.6 | 101.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 269 | Y | 29.5 | Very low | 29.4 | Very low | 236 Ų | 236 | 138.7 Ų | 138.7 | 93% | 0.925 | 81% | 0.81 | S | S | * | * | trans | -58.7 | 152.7 | 164.8 | -94.4 | -107.3 | 0 | 0 | 0 | 112.1 | ||||
| 270 | G | 30 | Very low | 29.6 | Very low | 78 Ų | 78 | 141.5 Ų | 141.5 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | trans | 164 | 112.3 | 159.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 271 | N | 30.1 | Very low | 29.7 | Very low | 133 Ų | 133 | 146.4 Ų | 146.4 | 71% | 0.711 | 83% | 0.826 | S | S | * | * | trans | -90 | 168.5 | -177.5 | -166.2 | -32.8 | 0 | 0 | 0 | 111.8 | ||||
| 272 | Q | 29.3 | Very low | 29.7 | Very low | 166 Ų | 166 | 145 Ų | 145 | 78% | 0.776 | 82% | 0.821 | S | S | * | * | trans | 82.9 | 125.4 | 157.4 | -95.2 | 97 | 21.7 | 0 | 0 | 119.7 | ||||
| 273 | G | 27.4 | Very low | 29.8 | Very low | 71 Ų | 71 | 146.9 Ų | 146.9 | 73% | 0.732 | 82% | 0.822 | S | S | * | * | trans | 167.3 | 70.6 | 158 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 274 | Y | 27.5 | Very low | 29.9 | Very low | 238 Ų | 238 | 143.2 Ų | 143.2 | 93% | 0.933 | 82% | 0.818 | S | S | * | * | trans | 45.8 | 131.3 | 138 | -92.1 | -97.9 | 0 | 0 | 0 | 123.9 | ||||
| 275 | G | 31.2 | Very low | 29.8 | Very low | 80 Ų | 80 | 143 Ų | 143 | 83% | 0.825 | 82% | 0.817 | S | S | * | * | trans | 104.8 | 128.1 | 144.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 276 | G | 29.9 | Very low | 29.9 | Very low | 64 Ų | 64 | 145.3 Ų | 145.3 | 66% | 0.66 | 81% | 0.811 | S | S | * | * | cis | 158.2 | 139 | 7.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 277 | Y | 28.6 | Very low | 29.9 | Very low | 247 Ų | 247 | 143.7 Ų | 143.7 | 97% | 0.969 | 80% | 0.802 | S | S | * | * | trans | 49.8 | 112.1 | 157.7 | -65.4 | -93.2 | 0 | 0 | 0 | 118.3 | ||||
| 278 | G | 32.8 | Very low | 29.7 | Very low | 82 Ų | 82 | 141.4 Ų | 141.4 | 85% | 0.845 | 79% | 0.793 | S | S | * | * | 129.4 | 157.6 | 75.7 | 0 | 0 | 0 | 0 | 0 | 106.6 | |||||
| 279 | G | 32 | Very low | 29.7 | Very low | 72 Ų | 72 | 147 Ų | 147 | 74% | 0.742 | 79% | 0.792 | S | S | * | * | cis | -174 | 147.1 | 1 | 0 | 0 | 0 | 0 | 0 | 104.1 | ||||
| 280 | Y | 31.9 | Very low | 29.7 | Very low | 231 Ų | 231 | 139.5 Ų | 139.5 | 91% | 0.906 | 79% | 0.788 | S | S | * | * | trans | -62.5 | 148.1 | 179.4 | -65.6 | -100.1 | 0 | 0 | 0 | 111.3 | ||||
| 281 | D | 29.8 | Very low | 29.5 | Very low | 169 Ų | 169 | 146.2 Ų | 146.2 | 90% | 0.904 | 79% | 0.79 | S | S | * | * | trans | -151.8 | 143.4 | 136.8 | -118.1 | -48.4 | 0 | 0 | 0 | 113 | ||||
| 282 | Y | 28.8 | Very low | 29.4 | Very low | 206 Ų | 206 | 144.6 Ų | 144.6 | 81% | 0.808 | 79% | 0.785 | S | S | * | * | trans | -122.4 | 165.6 | -167.5 | -165.7 | -92.7 | 0 | 0 | 0 | 108.3 | ||||
| 283 | S | 31 | Very low | 29.3 | Very low | 115 Ų | 115 | 143.9 Ų | 143.9 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | trans | 77.8 | 142.7 | 175.6 | -67.8 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 284 | G | 29.6 | Very low | 29.4 | Very low | 65 Ų | 65 | 150.3 Ų | 150.3 | 67% | 0.67 | 79% | 0.791 | S | S | * | * | cis | 167.2 | 154.7 | 3.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 285 | Y | 29 | Very low | 29.5 | Very low | 212 Ų | 212 | 145 Ų | 145 | 83% | 0.831 | 78% | 0.778 | S | S | * | * | trans | 64.8 | 133.3 | 142.4 | -98.3 | -84.3 | 0 | 0 | 0 | 124.7 | ||||
| 286 | N | 29.8 | Very low | 29.4 | Very low | 126 Ų | 126 | 147.9 Ų | 147.9 | 67% | 0.674 | 78% | 0.775 | S | S | * | * | trans | 71.7 | 150.7 | 147.1 | -87.1 | -26.3 | 0 | 0 | 0 | 118.8 | ||||
| 287 | N | 29.3 | Very low | 29.5 | Very low | 127 Ų | 127 | 151.6 Ų | 151.6 | 68% | 0.679 | 78% | 0.775 | S | S | * | * | cis | 179.1 | 163.5 | -22.4 | -154.2 | -39.8 | 0 | 0 | 0 | 105.1 | ||||
| 288 | Y | 27.2 | Very low | 29.5 | Very low | 176 Ų | 176 | 144.9 Ų | 144.9 | 69% | 0.69 | 76% | 0.764 | S | S | * | * | trans | 93.4 | 110.4 | 140.5 | -130.7 | -100.2 | 0 | 0 | 0 | 121.3 | ||||
| 289 | Y | 28.4 | Very low | 29.5 | Very low | 192 Ų | 192 | 144.9 Ų | 144.9 | 75% | 0.753 | 76% | 0.764 | S | S | * | * | trans | 35.8 | 138.5 | 139 | -68.9 | -107.6 | 0 | 0 | 0 | 122 | ||||
| 290 | G | 29.3 | Very low | 29.4 | Very low | 80 Ų | 80 | 144.4 Ų | 144.4 | 83% | 0.825 | 76% | 0.759 | S | S | * | * | trans | 177.5 | 102.1 | 154 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 291 | Y | 27.4 | Very low | 29.4 | Very low | 218 Ų | 218 | 144.6 Ų | 144.6 | 86% | 0.855 | 76% | 0.76 | S | S | * | * | trans | -71.7 | 151 | 175.1 | -123.4 | -103.3 | 0 | 0 | 0 | 111.7 | ||||
| 292 | T | 27.8 | Very low | 29.5 | Very low | 99 Ų | 99 | 140.1 Ų | 140.1 | 61% | 0.607 | 75% | 0.753 | S | S | * | * | trans | 40.9 | 134.1 | 150.4 | 40.8 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 293 | D | 27.4 | Very low | 29.7 | Very low | 152 Ų | 152 | 140.5 Ų | 140.5 | 81% | 0.813 | 76% | 0.759 | S | S | * | * | -176.2 | 161.2 | 102.5 | -99.2 | -50 | 0 | 0 | 0 | 115.9 | |||||
| 294 | Y | 27.9 | Very low | 30 | Very low | 206 Ų | 206 | 140.7 Ų | 140.7 | 81% | 0.808 | 76% | 0.761 | S | S | * | * | trans | -60.3 | 141.3 | -167.8 | -104.4 | -119.8 | 0 | 0 | 0 | 119 | ||||
| 295 | N | 31.2 | Very low | 31.1 | Very low | 125 Ų | 125 | 143.1 Ų | 143.1 | 67% | 0.668 | 77% | 0.765 | S | S | * | * | 24.9 | 118.6 | 123.3 | -161.3 | -5.6 | 0 | 0 | 0 | 120.8 | |||||
| 296 | N | 29.4 | Very low | 31.3 | Very low | 142 Ų | 142 | 144.3 Ų | 144.3 | 76% | 0.759 | 77% | 0.767 | S | S | * | * | trans | -170.9 | 148.4 | 143.1 | -125.5 | -100.1 | 0 | 0 | 0 | 107 | ||||
| 297 | Q | 31.2 | Very low | 31.6 | Very low | 142 Ų | 142 | 149.4 Ų | 149.4 | 66% | 0.664 | 78% | 0.777 | S | S | * | * | cis | 172.2 | 141.2 | -12.2 | 169.8 | 90.7 | 51.7 | 0 | 0 | 103.4 | ||||
| 298 | S | 29 | Very low | 31.8 | Very low | 105 Ų | 105 | 147 Ų | 147 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | trans | 26.8 | 138.6 | 151.8 | -53.3 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 299 | G | 31.9 | Very low | 32.1 | Very low | 83 Ų | 83 | 142.3 Ų | 142.3 | 86% | 0.856 | 79% | 0.787 | S | S | * | * | trans | 142 | 119.8 | 138 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 300 | G | 29.7 | Very low | 32.6 | Very low | 61 Ų | 61 | 141.9 Ų | 141.9 | 63% | 0.629 | 79% | 0.792 | S | S | * | * | cis | 163.6 | 171.9 | 9.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 301 | Y | 32.4 | Very low | 33 | Very low | 236 Ų | 236 | 144.5 Ų | 144.5 | 93% | 0.925 | 79% | 0.792 | S | S | * | * | trans | 80.3 | 101.7 | 162.7 | -60.1 | -80.2 | 0 | 0 | 0 | 118.7 | ||||
| 302 | G | 31.3 | Very low | 33.9 | Very low | 74 Ų | 74 | 142.1 Ų | 142.1 | 76% | 0.763 | 79% | 0.794 | S | S | * | * | trans | -76.7 | 170.7 | 168 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 303 | K | 34.2 | Very low | 34.3 | Very low | 214 Ų | 214 | 143.1 Ų | 143.1 | 93% | 0.93 | 81% | 0.805 | S | S | * | * | trans | -166.4 | 120 | 146 | -102.2 | 169.3 | -172.3 | -177.1 | 0 | 108.1 | ||||
| 304 | S | 35.5 | Very low | 34.8 | Very low | 120 Ų | 120 | 146.7 Ų | 146.7 | 84% | 0.839 | 81% | 0.809 | S | S | * | * | trans | -129.9 | 171.2 | 163.4 | -75.6 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 305 | P | 53.8 | Low | 35.7 | Very low | 116 Ų | 116 | 145.8 Ų | 145.8 | 75% | 0.753 | 81% | 0.809 | S | S | * | * | cis | -130.8 | 155.1 | -30.8 | 33.2 | -17.9 | 0 | 0 | 0 | 111.1 | ||||
| 306 | R | 32.7 | Very low | 37.3 | Very low | 236 Ų | 236 | 145.1 Ų | 145.1 | 89% | 0.891 | 81% | 0.812 | S | S | * | * | trans | -154.9 | 124.1 | 155.6 | -81.3 | -157.3 | 176.2 | 173.1 | -1.9 | 112.8 | ||||
| 307 | R | 36.6 | Very low | 38.2 | Very low | 234 Ų | 234 | 152.9 Ų | 152.9 | 88% | 0.883 | 83% | 0.833 | S | S | * | * | trans | 72.4 | 118.7 | 132.2 | -150.7 | 175.9 | -163.9 | -179.9 | 4.1 | 116.3 | ||||
| 308 | G | 33.5 | Very low | 38.6 | Very low | 76 Ų | 76 | 153.5 Ų | 153.5 | 78% | 0.784 | 84% | 0.841 | S | S | * | * | cis | 98.8 | 99.9 | 23.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 309 | G | 33.3 | Very low | 39.1 | Very low | 77 Ų | 77 | 156 Ų | 156 | 79% | 0.794 | 85% | 0.847 | S | S | * | * | trans | -171 | 103.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 310 | H | 38.7 | Very low | 39.5 | Very low | 183 Ų | 183 | 160.1 Ų | 160.1 | 85% | 0.847 | 85% | 0.846 | S | S | * | * | trans | -81.3 | 163.8 | -178.5 | -61.2 | -52.2 | 0 | 0 | 0 | 113.2 | ||||
| 311 | T | 38.3 | Very low | 40 | Very low | 135 Ų | 135 | 165.9 Ų | 165.9 | 83% | 0.828 | 86% | 0.859 | S | S | * | * | 176.5 | 131.6 | 106.2 | 38.2 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 312 | N | 46.2 | Very low | 40.5 | Very low | 168 Ų | 168 | 161.5 Ų | 161.5 | 90% | 0.898 | 86% | 0.855 | S | S | * | * | trans | -81.5 | 139.9 | 157.4 | -109.3 | -6.2 | 0 | 0 | 0 | 108.9 | ||||
| 313 | S | 36.7 | Very low | 41.1 | Very low | 121 Ų | 121 | 167.3 Ų | 167.3 | 85% | 0.846 | 86% | 0.861 | S | S | * | * | trans | -152.8 | 122.9 | 161.7 | -72.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 314 | Y | 36.6 | Very low | 41.6 | Very low | 227 Ų | 227 | 164 Ų | 164 | 89% | 0.89 | 86% | 0.856 | S | S | * | * | trans | -130.5 | 128 | 164.4 | -164.5 | -86.3 | 0 | 0 | 0 | 109 | ||||
| 315 | K | 46.8 | Very low | 42.1 | Very low | 186 Ų | 186 | 167.4 Ų | 167.4 | 81% | 0.809 | 86% | 0.857 | S | S | * | * | trans | 161.9 | 154.7 | 153.3 | -99.2 | 175.2 | -177.9 | -174.5 | 0 | 109.2 | ||||
| 316 | P | 64.6 | Low | 41.1 | Very low | 111 Ų | 111 | 171.7 Ų | 171.7 | 72% | 0.721 | 87% | 0.866 | S | S | * | * | -144.4 | 173.2 | 51.9 | 28.3 | -3.1 | 0 | 0 | 0 | 117.8 | |||||
| 317 | Y | 49.3 | Very low | 41.9 | Very low | 306 Ų | 306 | 165.8 Ų | 165.8 | 100% | 1.2 | 86% | 0.864 | S | S | * | * | trans | 32 | 0 | 153.8 | -78.7 | -83.7 | 0 | 0 | 0 | 119.7 |
Retrieved 317 of 317 residues in 82.8 ms
(Link to these results)