| 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 | 45.9 | Very low | 46.4 | Very low | 244 Ų | 244 | 145.2 Ų | 145.2 | 100% | 1.202 | 85% | 0.846 | S | S | * | * | 0 | 160.9 | 0 | -68.3 | -173.1 | -177.1 | 0 | 0 | 108.7 | |||||
| 2 | A | 43.3 | Very low | 46.3 | Very low | 108 Ų | 108 | 141.6 Ų | 141.6 | 89% | 0.893 | 83% | 0.831 | S | S | * | * | trans | 68.3 | 83.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 3 | A | 44.5 | Very low | 46.2 | Very low | 97 Ų | 97 | 146.5 Ų | 146.5 | 80% | 0.802 | 84% | 0.841 | S | S | * | * | trans | -156.1 | 150.3 | 144.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 4 | L | 52.2 | Low | 45.6 | Very low | 172 Ų | 172 | 141.9 Ų | 141.9 | 90% | 0.901 | 82% | 0.822 | S | S | * | * | trans | 105.9 | 58.4 | 179.4 | -62 | 171.2 | 0 | 0 | 0 | 118.3 | ||||
| 5 | I | 51.3 | Low | 44.9 | Very low | 170 Ų | 170 | 147.3 Ų | 147.3 | 87% | 0.872 | 83% | 0.832 | S | S | * | * | trans | -142.3 | 81 | 147.4 | -45.9 | 176.7 | 0 | 0 | 0 | 110.6 | ||||
| 6 | S | 47.3 | Very low | 44.6 | Very low | 128 Ų | 128 | 147.6 Ų | 147.6 | 90% | 0.895 | 83% | 0.831 | S | S | * | * | trans | -174.3 | 79.9 | 157.3 | -86.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 7 | A | 47.9 | Very low | 44.6 | Very low | 94 Ų | 94 | 145.3 Ų | 145.3 | 78% | 0.777 | 83% | 0.826 | S | S | * | * | trans | -164.4 | 58.7 | 166 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 8 | Y | 43.6 | Very low | 45.3 | Very low | 156 Ų | 156 | 143.8 Ų | 143.8 | 61% | 0.612 | 82% | 0.823 | S | S | * | * | trans | -157.7 | 64.9 | 156.8 | -132.9 | -131.2 | 0 | 0 | 0 | 115.9 | W11 | Y8-W11 AromaticContact CE1-CD1 3.99Å; Y8-W11 HydrophobicContact CE1-CD2 4.34Å; Y8-W11 AromaticContact CE1-CE2 3.51Å; Y8-W11 AromaticContact CE1-CZ2 3.77Å; Y8-W11 HydrophobicContact CE1-CZ2 3.77Å; Y8-W11 AromaticContact CE1-NE1 3.25Å; Y8-W11 VanDerWaalsContact CE1-NE1 3.25Å; Y8-W11 AromaticContact CZ-CE2 3.65Å; Y8-W11 AromaticContact CZ-CZ2 3.77Å; Y8-W11 AromaticContact CZ-NE1 3.83Å; Y8-W11 WeakPolarHBondContact OH-CH2 2.92Å; Y8-W11 WeakPolarHBondContact OH-CZ2 3.48Å; Y8-W11 WeakPolarHBondContact OH-CZ3 3.13Å | ||
| 9 | S | 47.7 | Very low | 45.5 | Very low | 131 Ų | 131 | 142.9 Ų | 142.9 | 92% | 0.916 | 82% | 0.822 | S | S | * | * | trans | -124.7 | 78.5 | 163.4 | -66.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 10 | S | 40.1 | Very low | 45.4 | Very low | 99 Ų | 99 | 139.6 Ų | 139.6 | 69% | 0.692 | 82% | 0.821 | S | S | * | * | trans | 171.2 | 112.4 | 150.9 | -172.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 11 | W | 46.3 | Very low | 45.6 | Very low | 198 Ų | 198 | 141.1 Ų | 141.1 | 75% | 0.75 | 83% | 0.825 | S | S | * | * | trans | -102.5 | 135.4 | 157.1 | -82.1 | 107.9 | 0 | 0 | 0 | 107.2 | Y8 | Y8-W11 AromaticContact CE1-CD1 3.99Å; Y8-W11 HydrophobicContact CE1-CD2 4.34Å; Y8-W11 AromaticContact CE1-CE2 3.51Å; Y8-W11 AromaticContact CE1-CZ2 3.77Å; Y8-W11 HydrophobicContact CE1-CZ2 3.77Å; Y8-W11 AromaticContact CE1-NE1 3.25Å; Y8-W11 VanDerWaalsContact CE1-NE1 3.25Å; Y8-W11 AromaticContact CZ-CE2 3.65Å; Y8-W11 AromaticContact CZ-CZ2 3.77Å; Y8-W11 AromaticContact CZ-NE1 3.83Å; Y8-W11 WeakPolarHBondContact OH-CH2 2.92Å; Y8-W11 WeakPolarHBondContact OH-CZ2 3.48Å; Y8-W11 WeakPolarHBondContact OH-CZ3 3.13Å | ||
| 12 | P | 45.5 | Very low | 45.4 | Very low | 102 Ų | 102 | 132.9 Ų | 132.9 | 66% | 0.662 | 80% | 0.803 | S | S | * | * | trans | -72.4 | 135.7 | 178.7 | 30 | -33.8 | 0 | 0 | 0 | 111.2 | S14 | P12-S14 PolarHBondContact O-N 3.47Š| ||
| 13 | E | 45.2 | Very low | 45.2 | Very low | 205 Ų | 205 | 135.5 Ų | 135.5 | 96% | 0.958 | 80% | 0.802 | S | S | * | * | trans | -91.5 | 82.3 | 173.1 | -164.9 | 163.3 | 130.3 | 0 | 0 | 108.8 | ||||
| 14 | S | 36.9 | Very low | 45.6 | Very low | 83 Ų | 83 | 137 Ų | 137 | 58% | 0.58 | 80% | 0.801 | S | S | * | * | trans | -162 | 93.9 | 174 | 42.3 | 0 | 0 | 0 | 0 | 112.6 | P12 D16 | P12-S14 PolarHBondContact O-N 3.47Å; S14-D16 PolarHBondContact O-N 3.36Å | ||
| 15 | F | 36.3 | Very low | 45.9 | Very low | 222 Ų | 222 | 134.4 Ų | 134.4 | 97% | 0.974 | 80% | 0.795 | S | S | * | * | trans | -90.2 | 84.2 | 155.8 | -87.4 | -81.8 | 0 | 0 | 0 | 108.3 | ||||
| 16 | D | 39.4 | Very low | 45.2 | Very low | 152 Ų | 152 | 133.7 Ų | 133.7 | 81% | 0.813 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 127.4 | 166.4 | -115.7 | -64.9 | 0 | 0 | 0 | 109.2 | S14 | S14-D16 PolarHBondContact O-N 3.36Š|
| 17 | C | 44.8 | Very low | 45.1 | Very low | 109 Ų | 109 | 131.1 Ų | 131.1 | 74% | 0.736 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -87.9 | 137.7 | 172.1 | -74.4 | 0 | 0 | 0 | 0 | 109.2 | ||
| 18 | P | 56.8 | Low | 44.9 | Very low | 119 Ų | 119 | 135.4 Ų | 135.4 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 145.1 | -178.8 | 28.6 | -34.9 | 0 | 0 | 0 | 111.6 | ||
| 19 | P | 48.7 | Very low | 44.8 | Very low | 126 Ų | 126 | 132.6 Ų | 132.6 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 130.2 | 173.8 | 30.8 | -33 | 0 | 0 | 0 | 110.1 | ||
| 20 | G | 45.1 | Very low | 44.5 | Very low | 77 Ų | 77 | 131.8 Ų | 131.8 | 79% | 0.794 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -103.4 | 118.8 | 164.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||
| 21 | D | 47.8 | Very low | 44.5 | Very low | 171 Ų | 171 | 135 Ų | 135 | 91% | 0.914 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 143.3 | 171.3 | -73.3 | -66.5 | 0 | 0 | 0 | 111.7 | ||
| 22 | G | 41.8 | Very low | 44.4 | Very low | 71 Ų | 71 | 136.5 Ų | 136.5 | 73% | 0.732 | 79% | 0.785 | S | S | * | * | trans | 158.9 | 82.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 23 | D | 40.3 | Very low | 44.2 | Very low | 163 Ų | 163 | 137.3 Ų | 137.3 | 87% | 0.872 | 79% | 0.788 | S | S | * | * | trans | 57.5 | 142.8 | 153 | -89.7 | -91.7 | 0 | 0 | 0 | 123.6 | ||||
| 24 | V | 51.8 | Low | 44.4 | Very low | 130 Ų | 130 | 133.4 Ų | 133.4 | 79% | 0.788 | 78% | 0.781 | S | S | * | * | trans | -137.4 | 128.3 | 178 | 173.6 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 25 | P | 58.5 | Low | 44.9 | Very low | 117 Ų | 117 | 135.7 Ų | 135.7 | 76% | 0.76 | 79% | 0.791 | S | S | * | * | -148.8 | 172 | 75.8 | 39.9 | -19.5 | 0 | 0 | 0 | 114.2 | |||||
| 26 | D | 36.7 | Very low | 45.3 | Very low | 155 Ų | 155 | 131 Ų | 131 | 83% | 0.829 | 78% | 0.776 | S | S | * | * | cis | -166 | 170.8 | 42.2 | -167.6 | 6 | 0 | 0 | 0 | 109.7 | ||||
| 27 | A | 45.8 | Very low | 45.7 | Very low | 74 Ų | 74 | 132.7 Ų | 132.7 | 61% | 0.612 | 78% | 0.776 | S | S | * | * | trans | -79.6 | 143.3 | -176 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 28 | H | 43.4 | Very low | 46 | Very low | 183 Ų | 183 | 132.5 Ų | 132.5 | 85% | 0.847 | 77% | 0.772 | S | S | * | * | -173.4 | 154.2 | 120.8 | -113.5 | -91 | 0 | 0 | 0 | 113.7 | |||||
| 29 | V | 42.8 | Very low | 46.1 | Very low | 98 Ų | 98 | 132.2 Ų | 132.2 | 59% | 0.594 | 77% | 0.77 | S | S | * | * | trans | 63.9 | 87.5 | 172.4 | -167.6 | 0 | 0 | 0 | 0 | 116.3 | H31 | V29-H31 PolarHBondContact O-N 3.37Š| ||
| 30 | S | 41 | Very low | 46.9 | Very low | 114 Ų | 114 | 134.9 Ų | 134.9 | 80% | 0.797 | 77% | 0.771 | S | S | * | * | trans | -62.4 | 95.9 | 154.8 | -175.4 | 0 | 0 | 0 | 0 | 109.9 | R32 | S30-R32 VanDerWaalsContact C-N 3.33Å; S30-R32 PolarHBondContact O-N 3.27Å | ||
| 31 | H | 39.6 | Very low | 48.7 | Very low | 165 Ų | 165 | 136.8 Ų | 136.8 | 76% | 0.764 | 77% | 0.77 | S | S | * | * | trans | -65.3 | 97.5 | 163.5 | -84.5 | -84.5 | 0 | 0 | 0 | 108.2 | V29 T33 | V29-H31 PolarHBondContact O-N 3.37Å; H31-T33 PolarHBondContact O-N 2.96Å | ||
| 32 | R | 43.5 | Very low | 50.7 | Low | 231 Ų | 231 | 137.3 Ų | 137.3 | 87% | 0.872 | 76% | 0.759 | S | S | * | * | trans | -48.5 | 113 | 167.6 | -74.8 | -178.5 | 172.3 | -171.9 | -2.9 | 108.2 | S30 | S30-R32 VanDerWaalsContact C-N 3.33Å; S30-R32 PolarHBondContact O-N 3.27Å | ||
| 33 | T | 43 | Very low | 53.2 | Low | 119 Ų | 119 | 136.7 Ų | 136.7 | 73% | 0.73 | 74% | 0.738 | S | S | * | * | trans | -53.3 | 139 | 161.5 | 43.9 | 0 | 0 | 0 | 0 | 107.5 | H31 V35 | H31-T33 PolarHBondContact O-N 2.96Å; T33-V35 PolarHBondContact O-N 3.41Å; T33-V35 VanDerWaalsContact O-N 3.12Å | ||
| 34 | P | 48.6 | Very low | 55.9 | Low | 122 Ų | 122 | 139.4 Ų | 139.4 | 79% | 0.792 | 74% | 0.736 | S | S | * | * | trans | -55.9 | 127 | 177.2 | -19.7 | 30.7 | 0 | 0 | 0 | 107.3 | D36 | P34-D36 PolarHBondContact O-N 3.35Š| ||
| 35 | V | 46.9 | Very low | 58.1 | Low | 132 Ų | 132 | 140.8 Ų | 140.8 | 80% | 0.8 | 73% | 0.727 | S | S | * | * | trans | -44.1 | 107.4 | 178.2 | 169.8 | 0 | 0 | 0 | 0 | 107.6 | T33 K37 | T33-V35 PolarHBondContact O-N 3.41Å; T33-V35 VanDerWaalsContact O-N 3.12Å; V35-K37 PolarHBondContact O-N 3.42Å | ||
| 36 | D | 44.5 | Very low | 60 | Low | 124 Ų | 124 | 137.3 Ų | 137.3 | 66% | 0.663 | 71% | 0.705 | S | S | * | * | trans | -63.9 | 110 | -179 | -172.5 | 7.8 | 0 | 0 | 0 | 105.3 | P34 T38 | P34-D36 PolarHBondContact O-N 3.35Å; D36-T38 HydrophobicContact CB-CG2 4.21Å; D36-T38 PolarHBondContact O-N 3.11Å | ||
| 37 | K | 48.1 | Very low | 62.9 | Low | 187 Ų | 187 | 133.6 Ų | 133.6 | 81% | 0.813 | 68% | 0.683 | S | S | * | * | trans | -74 | 68.9 | 170.8 | -67.6 | -179.3 | -178.2 | 178.5 | 0 | 105.6 | V35 P39 | V35-K37 PolarHBondContact O-N 3.42Å; K37-P39 WeakPolarHBondContact O-CD 3.4Å | ||
| 38 | T | 50.9 | Low | 65.4 | Low | 105 Ų | 105 | 134.1 Ų | 134.1 | 64% | 0.644 | 68% | 0.676 | S | S | * | * | trans | -49.4 | 106.6 | 175.3 | 44.9 | 0 | 0 | 0 | 0 | 105.6 | D36 E40 | D36-T38 HydrophobicContact CB-CG2 4.21Å; D36-T38 PolarHBondContact O-N 3.11Å; T38-E40 PolarHBondContact O-N 3.42Å | ||
| 39 | P | 60.4 | Low | 68 | Low | 113 Ų | 113 | 126.1 Ų | 126.1 | 73% | 0.734 | 64% | 0.642 | S | S | * | * | trans | -65.8 | 119 | -174.6 | 25.5 | -31.5 | 0 | 0 | 0 | 105.5 | K37 | K37-P39 WeakPolarHBondContact O-CD 3.4Š| ||
| 40 | E | 63.8 | Low | 70.7 | Confident | 182 Ų | 182 | 123.9 Ų | 123.9 | 85% | 0.85 | 62% | 0.624 | S | S | * | * | trans | -37 | 121.6 | -174.6 | -171.9 | 179.4 | 177 | 0 | 0 | 109.9 | T38 R42 | T38-E40 PolarHBondContact O-N 3.42Å; E40-R42 PolarHBondContact O-N 2.78Å | ||
| 41 | P | 84.4 | Confident | 73.4 | Confident | 116 Ų | 116 | 122.7 Ų | 122.7 | 75% | 0.753 | 61% | 0.607 | S | S | * | * | trans | -59.3 | 101.5 | -151.5 | 19.5 | -33 | 0 | 0 | 0 | 110.8 | I43 | P41-I43 PolarHBondContact O-N 3.39Š| ||
| 42 | R | 89.8 | Confident | 76.2 | Confident | 182 Ų | 182 | 115.7 Ų | 115.7 | 69% | 0.687 | 58% | 0.576 | S | S | * | * | trans | -58.1 | 110.2 | -173.5 | 178.1 | -171.1 | 165.1 | 82.2 | 4.7 | 109.2 | E40 R44 | E40-R42 PolarHBondContact O-N 2.78Å; R42-R44 PolarHBondContact O-N 2.92Å; R42-R44 VanDerWaalsContact O-N 3.08Å | ||
| 43 | I | 94.5 | Very high | 78.9 | Confident | 59 Ų | 59 | 105.7 Ų | 105.7 | 30% | 0.303 | 54% | 0.538 | S | S | . | . | P | Polyproline II helix | trans | -47.7 | 116.8 | 175.5 | -59.1 | 165.7 | 0 | 0 | 0 | 109 | P41 H103 Y107 Y110 | P41-I43 PolarHBondContact O-N 3.39Å; I43-H103 WeakPolarHBondContact CG2-CE1 3.5Å; I43-Y107 HydrophobicContact CD1-CD1 3.47Å; I43-Y107 VanDerWaalsContact CD1-CD1 3.47Å; I43-Y107 HydrophobicContact CD1-CE1 3.99Å; I43-Y107 HydrophobicContact CD1-CG 3.97Å; I43-Y107 HydrophobicContact CG1-CD1 3.89Å; I43-Y107 HydrophobicContact CG1-CE1 3.92Å; I43-Y107 HydrophobicContact CG1-CG 4.39Å; I43-Y107 HydrophobicContact CG2-CD1 4.28Å; I43-Y107 HydrophobicContact CG2-CD2 3.88Å; I43-Y107 HydrophobicContact CG2-CE1 4.49Å; I43-Y107 HydrophobicContact CG2-CE2 4.11Å; I43-Y107 HydrophobicContact CG2-CG 3.96Å; I43-Y110 HydrophobicContact CB-CD2 3.91Å; I43-Y110 HydrophobicContact CB-CE2 4.11Å; I43-Y110 HydrophobicContact CD1-CD2 4.47Å; I43-Y110 HydrophobicContact CG2-CD2 3.45Å; I43-Y110 VanDerWaalsContact CG2-CD2 3.45Å; I43-Y110 HydrophobicContact CG2-CE2 3.73Å; I43-Y110 HydrophobicContact CG2-CG 4.24Å |
| 44 | R | 95.7 | Very high | 81.5 | Confident | 219 Ų | 219 | 100 Ų | 100 | 83% | 0.826 | 50% | 0.503 | S | S | * | . | P | Polyproline II helix | trans | -81.5 | 155.4 | 179.2 | -65.4 | -171.9 | 178.8 | -156.6 | 2.7 | 109.3 | R42 H103 | R42-R44 PolarHBondContact O-N 2.92Å; R42-R44 VanDerWaalsContact O-N 3.08Å; R44-H103 PolarHBondContact O-CE1 2.97Å |
| 45 | R | 97.9 | Very high | 83.8 | Confident | 159 Ų | 159 | 100.2 Ų | 100.2 | 60% | 0.6 | 49% | 0.491 | S | S | * | . | P | Polyproline II helix | trans | -64.1 | 144.6 | 173 | -62.7 | 172.3 | 67.2 | -167 | 0.8 | 109.7 | Y110 Y112 | R45-Y110 WeakPolarHBondContact CG-OH 3.48Å; R45-Y112 HydrophobicContact CG-CD2 4.36Å |
| 46 | P | 98.1 | Very high | 86.2 | Confident | 45 Ų | 45 | 98.7 Ų | 98.7 | 29% | 0.292 | 48% | 0.479 | S | S | . | . | P | Polyproline II helix | trans | -61.2 | 152.1 | 167 | 27.2 | -32.9 | 0 | 0 | 0 | 110 | H103 | P46-H103 HydrophobicContact CB-CB 4.02Å; P46-H103 HydrophobicContact CG-CB 4.2Å |
| 47 | M | 98.3 | Very high | 88.7 | Confident | 77 Ų | 77 | 94.7 Ų | 94.7 | 38% | 0.379 | 46% | 0.456 | S | S | . | . | P | Polyproline II helix | trans | -72 | 136.2 | 178.7 | -64.8 | -173.2 | -67.1 | 0 | 0 | 109.9 | M51 V52 L99 | M47-M51 HydrophobicContact CB-CB 4.06Å; M47-M51 HydrophobicContact CG-CB 4.4Å; M47-V52 HydrophobicContact CB-CG2 3.74Å; M47-V52 HydrophobicContact CE-CG2 4.39Å; M47-L99 HydrophobicContact CB-CD1 4.31Å; M47-L99 HydrophobicContact CE-CD1 3.81Å |
| 48 | N | 98.6 | Very high | 91.1 | Very high | 84 Ų | 84 | 88.6 Ų | 88.6 | 45% | 0.449 | 43% | 0.428 | S | S | . | . | P | Polyproline II helix | trans | -84 | 168.6 | 168.1 | 69.4 | 23.5 | 0 | 0 | 0 | 110.4 | F50 M51 V52 | N48-F50 VanDerWaalsContact C-N 3.29Å; N48-F50 PolarHBondContact O-N 2.98Å; N48-F50 PolarHBondContact OD1-N 2.94Å; N48-M51 CarbonylContact O-C 3.24Å; N48-M51 WeakPolarHBondContact O-CA 3.4Å; N48-M51 PolarHBondContact O-N 2.98Å; N48-M51 WeakPolarHBondContact OD1-CB 3.31Å; N48-M51 VanDerWaalsContact OD1-CG 3.26Å; N48-M51 WeakPolarHBondContact OD1-CG 3.46Å; N48-M51 PolarHBondContact OD1-N 2.94Å; N48-V52 PolarHBondContact O-N 2.97Å |
| 49 | A | 98.3 | Very high | 93.3 | Very high | 16 Ų | 16 | 90.9 Ų | 90.9 | 13% | 0.132 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -51.7 | -44 | -175 | 0 | 0 | 0 | 0 | 0 | 114.1 | M51 V52 W53 W81 Y92 V93 A96 | A49-M51 PolarHBondContact O-N 3.38Å; A49-V52 PolarHBondContact O-N 3.07Å; A49-W53 PolarHBondContact O-N 2.72Å; A49-W81 HydrophobicContact CB-CH2 3.97Å; A49-W81 HydrophobicContact CB-CZ2 4.1Å; A49-Y92 VanDerWaalsContact CA-O 3.24Å; A49-Y92 WeakPolarHBondContact CA-O 3.14Å; A49-Y92 VanDerWaalsContact CB-O 3.28Å; A49-Y92 WeakPolarHBondContact CB-O 3.38Å; A49-V93 HydrophobicContact CB-CB 4.46Å; A49-V93 HydrophobicContact CB-CG2 3.86Å; A49-A96 HydrophobicContact CB-CB 4.15Å; A49-A96 VanDerWaalsContact N-CB 3.25Å |
| 50 | F | 98.6 | Very high | 95 | Very high | 51 Ų | 51 | 91.2 Ų | 91.2 | 22% | 0.224 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -62.4 | -41.8 | 174.8 | 171.6 | -101.3 | 0 | 0 | 0 | 112.4 | N48 W53 A54 L77 W81 | N48-F50 VanDerWaalsContact C-N 3.29Å; N48-F50 PolarHBondContact O-N 2.98Å; N48-F50 PolarHBondContact OD1-N 2.94Å; F50-W53 HydrophobicContact CD2-CE3 4.01Å; F50-W53 HydrophobicContact CD2-CZ3 4.16Å; F50-W53 HydrophobicContact CE2-CE3 4.09Å; F50-W53 AromaticContact CE2-CZ3 3.8Å; F50-W53 HydrophobicContact CE2-CZ3 3.8Å; F50-A54 HydrophobicContact CE1-CB 4.2Å; F50-A54 HydrophobicContact CE2-CB 4.2Å; F50-A54 HydrophobicContact CZ-CB 4.04Å; F50-A54 WeakPolarHBondContact O-CA 3.37Å; F50-A54 WeakPolarHBondContact O-CB 3.33Å; F50-A54 PolarHBondContact O-N 2.87Å; F50-L77 HydrophobicContact CE2-CB 4.38Å; F50-L77 HydrophobicContact CZ-CB 4.26Å; F50-W81 HydrophobicContact CB-CD2 4.39Å; F50-W81 HydrophobicContact CD2-CB 3.7Å; F50-W81 AromaticContact CD2-CD1 3.82Å; F50-W81 AromaticContact CD2-CD2 3.92Å; F50-W81 HydrophobicContact CD2-CD2 3.92Å; F50-W81 AromaticContact CD2-CG 3.52Å; F50-W81 HydrophobicContact CD2-CG 3.52Å; F50-W81 HydrophobicContact CE2-CB 3.84Å; F50-W81 HydrophobicContact CE2-CG 4.18Å |
| 51 | M | 98.6 | Very high | 96.6 | Very high | 89 Ų | 89 | 83.1 Ų | 83.1 | 44% | 0.438 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -71.4 | -31.7 | 179.6 | -68.9 | -67.4 | 179.6 | 0 | 0 | 112.9 | M47 N48 A49 K55 | M47-M51 HydrophobicContact CB-CB 4.06Å; M47-M51 HydrophobicContact CG-CB 4.4Å; N48-M51 CarbonylContact O-C 3.24Å; N48-M51 WeakPolarHBondContact O-CA 3.4Å; N48-M51 PolarHBondContact O-N 2.98Å; N48-M51 WeakPolarHBondContact OD1-CB 3.31Å; N48-M51 VanDerWaalsContact OD1-CG 3.26Å; N48-M51 WeakPolarHBondContact OD1-CG 3.46Å; N48-M51 PolarHBondContact OD1-N 2.94Å; A49-M51 PolarHBondContact O-N 3.38Å; M51-K55 PolarHBondContact O-N 3.37Å |
| 52 | V | 98.6 | Very high | 97.1 | Very high | 18 Ų | 18 | 79.5 Ų | 79.5 | 11% | 0.109 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -62.6 | -58.9 | 170.7 | 178.2 | 0 | 0 | 0 | 0 | 109.1 | M47 N48 A49 A54 K55 Y92 E95 A96 L99 | M47-V52 HydrophobicContact CB-CG2 3.74Å; M47-V52 HydrophobicContact CE-CG2 4.39Å; N48-V52 PolarHBondContact O-N 2.97Å; A49-V52 PolarHBondContact O-N 3.07Å; V52-A54 PolarHBondContact O-N 3.22Å; V52-K55 VanDerWaalsContact O-CB 3.25Å; V52-K55 WeakPolarHBondContact O-CB 3.14Å; V52-K55 PolarHBondContact O-N 3.29Å; V52-Y92 HydrophobicContact CG1-CD1 4.14Å; V52-E95 HydrophobicContact CG1-CB 4.31Å; V52-E95 HydrophobicContact CG1-CG 3.78Å; V52-E95 HydrophobicContact CG2-CG 4.47Å; V52-A96 HydrophobicContact CG2-CB 4.16Å; V52-L99 HydrophobicContact CG2-CD1 3.83Å |
| 53 | W | 98.4 | Very high | 97.5 | Very high | 21 Ų | 21 | 76.4 Ų | 76.4 | 8% | 0.08 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -58.4 | -46.1 | 179 | 170.4 | 76 | 0 | 0 | 0 | 113.2 | A49 F50 K55 E57 L77 W81 L84 Y92 | A49-W53 PolarHBondContact O-N 2.72Å; F50-W53 HydrophobicContact CD2-CE3 4.01Å; F50-W53 HydrophobicContact CD2-CZ3 4.16Å; F50-W53 HydrophobicContact CE2-CE3 4.09Å; F50-W53 AromaticContact CE2-CZ3 3.8Å; F50-W53 HydrophobicContact CE2-CZ3 3.8Å; W53-K55 PolarHBondContact O-N 3.09Å; W53-E57 HydrophobicContact CH2-CG 4.05Å; W53-E57 HydrophobicContact CZ2-CB 4.13Å; W53-E57 HydrophobicContact CZ2-CG 3.73Å; W53-E57 PolarHBondContact O-N 3.37Å; W53-L77 HydrophobicContact CH2-CB 4.28Å; W53-L77 HydrophobicContact CH2-CD2 3.71Å; W53-L77 WeakPolarHBondContact CH2-O 3.42Å; W53-L77 HydrophobicContact CZ3-CB 4Å; W53-L77 HydrophobicContact CZ3-CD2 3.76Å; W53-L77 VanDerWaalsContact CZ3-O 3.28Å; W53-L77 WeakPolarHBondContact CZ3-O 2.99Å; W53-W81 HydrophobicContact CB-CE3 3.99Å; W53-W81 HydrophobicContact CB-CZ3 3.65Å; W53-W81 AromaticContact CD2-CE3 3.6Å; W53-W81 HydrophobicContact CD2-CE3 3.6Å; W53-W81 HydrophobicContact CD2-CZ3 4.14Å; W53-W81 HydrophobicContact CE3-CB 4.05Å; W53-W81 HydrophobicContact CE3-CD2 4.28Å; W53-W81 AromaticContact CE3-CE3 3.63Å; W53-W81 HydrophobicContact CE3-CE3 3.63Å; W53-W81 HydrophobicContact CE3-CG 4.49Å; W53-W81 HydrophobicContact CE3-CZ3 4.46Å; W53-W81 AromaticContact CG-CE3 3.76Å; W53-W81 HydrophobicContact CG-CE3 3.76Å; W53-W81 AromaticContact CG-CZ3 3.78Å; W53-W81 HydrophobicContact CG-CZ3 3.78Å; W53-W81 HydrophobicContact CH2-CB 4.14Å; W53-W81 HydrophobicContact CZ3-CB 3.69Å; W53-W81 HydrophobicContact CZ3-CE3 4.41Å; W53-L84 HydrophobicContact CD2-CD1 4.43Å; W53-L84 HydrophobicContact CZ2-CD1 4.36Å; W53-Y92 HydrophobicContact CB-CD1 3.68Å; W53-Y92 HydrophobicContact CB-CD2 4.16Å; W53-Y92 HydrophobicContact CB-CE1 4Å; W53-Y92 HydrophobicContact CB-CE2 4.46Å; W53-Y92 HydrophobicContact CB-CG 3.77Å; W53-Y92 AromaticContact CD1-CE1 3.91Å; W53-Y92 AromaticContact CD1-CE2 3.68Å; W53-Y92 AromaticContact CD1-CZ 3.55Å; W53-Y92 HydrophobicContact CG-CD1 4.47Å; W53-Y92 HydrophobicContact CG-CD2 4.45Å; W53-Y92 HydrophobicContact CG-CE1 4.39Å; W53-Y92 HydrophobicContact CG-CE2 4.38Å; W53-Y92 HydrophobicContact CG-CG 4.5Å |
| 54 | A | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 78.7 Ų | 78.7 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -72.8 | -5.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | F50 V52 R58 L77 | F50-A54 HydrophobicContact CE1-CB 4.2Å; F50-A54 HydrophobicContact CE2-CB 4.2Å; F50-A54 HydrophobicContact CZ-CB 4.04Å; F50-A54 WeakPolarHBondContact O-CA 3.37Å; F50-A54 WeakPolarHBondContact O-CB 3.33Å; F50-A54 PolarHBondContact O-N 2.87Å; V52-A54 PolarHBondContact O-N 3.22Å; A54-R58 WeakPolarHBondContact O-CB 3.37Å; A54-R58 PolarHBondContact O-N 2.7Å; A54-R58 PolarHBondContact O-NH1 3.12Å; A54-L77 HydrophobicContact CB-CD1 4.36Å; A54-L77 HydrophobicContact CB-CD2 4.32Å |
| 55 | K | 97.6 | Very high | 97.3 | Very high | 125 Ų | 125 | 71 Ų | 71 | 54% | 0.543 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -64.6 | -57.3 | 173.9 | -177.2 | -169.6 | 172 | -161.6 | 0 | 109.9 | M51 V52 W53 K59 | M51-K55 PolarHBondContact O-N 3.37Å; V52-K55 VanDerWaalsContact O-CB 3.25Å; V52-K55 WeakPolarHBondContact O-CB 3.14Å; V52-K55 PolarHBondContact O-N 3.29Å; W53-K55 PolarHBondContact O-N 3.09Å; K55-K59 PolarHBondContact O-N 3.41Å |
| 56 | D | 96.2 | Very high | 97 | Very high | 100 Ų | 100 | 68.2 Ų | 68.2 | 54% | 0.535 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -83.9 | -37.3 | -172 | -57.1 | -39.9 | 0 | 0 | 0 | 111.3 | R58 K59 R60 | D56-R58 VanDerWaalsContact C-N 3.31Å; D56-R58 PolarHBondContact O-N 2.77Å; D56-K59 WeakPolarHBondContact O-CB 3.32Å; D56-K59 PolarHBondContact O-N 3.4Å; D56-K59 VanDerWaalsContact O-N 3.09Å; D56-R60 PolarHBondContact O-N 3.33Å |
| 57 | E | 97.4 | Very high | 96.8 | Very high | 40 Ų | 40 | 73.7 Ų | 73.7 | 19% | 0.187 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -64.6 | -34.8 | 175.3 | -176.3 | 62.5 | -172.1 | 0 | 0 | 112 | W53 R60 L61 L77 | W53-E57 HydrophobicContact CH2-CG 4.05Å; W53-E57 HydrophobicContact CZ2-CB 4.13Å; W53-E57 HydrophobicContact CZ2-CG 3.73Å; W53-E57 PolarHBondContact O-N 3.37Å; E57-R60 PolarHBondContact O-N 2.87Å; E57-R60 IonicContact OE1-CZ 3.43Å; E57-R60 IonicContact OE1-NE 3.29Å; E57-R60 PolarHBondContact OE1-NE 3.26Å; E57-R60 IonicContact OE1-NH2 2.72Å; E57-R60 PolarHBondContact OE1-NH2 3.01Å; E57-R60 IonicContact OE2-CZ 3.66Å; E57-R60 IonicContact OE2-NE 3.55Å; E57-R60 PolarHBondContact OE2-NE 3.3Å; E57-R60 IonicContact OE2-NH2 3.53Å; E57-L61 HydrophobicContact CG-CD1 4.39Å; E57-L61 WeakPolarHBondContact O-CG 3.48Å; E57-L61 PolarHBondContact O-N 3.35Å; E57-L77 HydrophobicContact CB-CD2 3.71Å; E57-L77 HydrophobicContact CG-CD2 3.41Å; E57-L77 VanDerWaalsContact CG-CD2 3.41Å |
| 58 | R | 97.9 | Very high | 96.6 | Very high | 60 Ų | 60 | 73.2 Ų | 73.2 | 23% | 0.226 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -63.4 | -44 | 171.4 | -177.5 | -171.8 | -77.6 | 106 | -3.3 | 111.3 | A54 D56 R60 L61 A62 L73 L77 | A54-R58 WeakPolarHBondContact O-CB 3.37Å; A54-R58 PolarHBondContact O-N 2.7Å; A54-R58 PolarHBondContact O-NH1 3.12Å; D56-R58 VanDerWaalsContact C-N 3.31Å; D56-R58 PolarHBondContact O-N 2.77Å; R58-R60 VanDerWaalsContact C-N 3.33Å; R58-L61 PolarHBondContact O-N 2.87Å; R58-A62 VanDerWaalsContact O-CB 3.31Å; R58-A62 WeakPolarHBondContact O-CB 3.37Å; R58-A62 PolarHBondContact O-N 3.19Å; R58-L73 HydrophobicContact CG-CD1 4.44Å; R58-L77 HydrophobicContact CB-CD1 3.67Å; R58-L77 HydrophobicContact CG-CD1 4.07Å |
| 59 | K | 97.6 | Very high | 96.5 | Very high | 153 Ų | 153 | 76.1 Ų | 76.1 | 67% | 0.665 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -61 | -45.2 | 177.8 | -172.4 | -178.5 | 178.8 | -176.2 | 0 | 110.1 | K55 D56 A62 V63 | K55-K59 PolarHBondContact O-N 3.41Å; D56-K59 WeakPolarHBondContact O-CB 3.32Å; D56-K59 PolarHBondContact O-N 3.4Å; D56-K59 VanDerWaalsContact O-N 3.09Å; K59-A62 PolarHBondContact O-N 3.44Å; K59-V63 WeakPolarHBondContact O-CG2 3.25Å; K59-V63 PolarHBondContact O-N 3.41Å; K59-V63 VanDerWaalsContact O-N 3.11Å |
| 60 | R | 97.2 | Very high | 96.3 | Very high | 120 Ų | 120 | 79 Ų | 79 | 45% | 0.453 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -56.4 | -51.6 | 175.1 | -160.3 | -169.6 | 68.1 | 81 | 1.9 | 111.4 | D56 E57 R58 V63 Q64 | D56-R60 PolarHBondContact O-N 3.33Å; E57-R60 PolarHBondContact O-N 2.87Å; E57-R60 IonicContact OE1-CZ 3.43Å; E57-R60 IonicContact OE1-NE 3.29Å; E57-R60 PolarHBondContact OE1-NE 3.26Å; E57-R60 IonicContact OE1-NH2 2.72Å; E57-R60 PolarHBondContact OE1-NH2 3.01Å; E57-R60 IonicContact OE2-CZ 3.66Å; E57-R60 IonicContact OE2-NE 3.55Å; E57-R60 PolarHBondContact OE2-NE 3.3Å; E57-R60 IonicContact OE2-NH2 3.53Å; R58-R60 VanDerWaalsContact C-N 3.33Å; R60-V63 PolarHBondContact O-N 3.18Å; R60-Q64 VanDerWaalsContact C-NE2 3.28Å; R60-Q64 PolarHBondContact O-N 2.96Å; R60-Q64 PolarHBondContact O-NE2 2.8Å |
| 61 | L | 95.8 | Very high | 96.3 | Very high | 12 Ų | 12 | 79.3 Ų | 79.3 | 6% | 0.063 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -66.6 | -36.9 | -179.1 | -70.1 | 174.3 | 0 | 0 | 0 | 113.3 | E57 R58 Q64 N65 L73 M76 L77 | E57-L61 HydrophobicContact CG-CD1 4.39Å; E57-L61 WeakPolarHBondContact O-CG 3.48Å; E57-L61 PolarHBondContact O-N 3.35Å; R58-L61 PolarHBondContact O-N 2.87Å; L61-Q64 PolarHBondContact O-N 3.24Å; L61-N65 WeakPolarHBondContact O-CB 3.41Å; L61-N65 PolarHBondContact O-N 2.98Å; L61-N65 PolarHBondContact O-ND2 2.66Å; L61-L73 HydrophobicContact CB-CD2 4.03Å; L61-M76 HydrophobicContact CD1-CB 4.44Å; L61-M76 HydrophobicContact CD2-CE 4.24Å; L61-L77 HydrophobicContact CD1-CD2 4.08Å; L61-L77 HydrophobicContact CD1-CG 4.18Å |
| 62 | A | 96.8 | Very high | 96.2 | Very high | 40 Ų | 40 | 78.5 Ų | 78.5 | 33% | 0.331 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -66.4 | -35.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | R58 K59 N65 P66 L73 | R58-A62 VanDerWaalsContact O-CB 3.31Å; R58-A62 WeakPolarHBondContact O-CB 3.37Å; R58-A62 PolarHBondContact O-N 3.19Å; K59-A62 PolarHBondContact O-N 3.44Å; A62-N65 CarbonylContact O-C 3.56Å; A62-N65 VanDerWaalsContact O-C 3.24Å; A62-N65 PolarHBondContact O-N 3.36Å; A62-P66 WeakPolarHBondContact O-CA 3.01Å; A62-L73 HydrophobicContact CB-CD1 3.88Å |
| 63 | V | 96.4 | Very high | 96.1 | Very high | 117 Ų | 117 | 77.9 Ų | 77.9 | 71% | 0.709 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -69.2 | -38.1 | 174.8 | 172 | 0 | 0 | 0 | 0 | 111.7 | K59 R60 N65 | K59-V63 WeakPolarHBondContact O-CG2 3.25Å; K59-V63 PolarHBondContact O-N 3.41Å; K59-V63 VanDerWaalsContact O-N 3.11Å; R60-V63 PolarHBondContact O-N 3.18Å; V63-N65 VanDerWaalsContact C-N 3.32Å |
| 64 | Q | 94.7 | Very high | 96.1 | Very high | 107 Ų | 107 | 79 Ų | 79 | 50% | 0.5 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -72 | -24.9 | 174.9 | -76.4 | 157.2 | 103.9 | 0 | 0 | 113.2 | R60 L61 | R60-Q64 VanDerWaalsContact C-NE2 3.28Å; R60-Q64 PolarHBondContact O-N 2.96Å; R60-Q64 PolarHBondContact O-NE2 2.8Å; L61-Q64 PolarHBondContact O-N 3.24Å |
| 65 | N | 91.6 | Very high | 96.1 | Very high | 56 Ų | 56 | 84.7 Ų | 84.7 | 30% | 0.299 | 43% | 0.434 | S | S | . | . | trans | -138.7 | 71 | -172.5 | -52.7 | -97.4 | 0 | 0 | 0 | 109.8 | L61 A62 V63 D67 L68 | L61-N65 WeakPolarHBondContact O-CB 3.41Å; L61-N65 PolarHBondContact O-N 2.98Å; L61-N65 PolarHBondContact O-ND2 2.66Å; A62-N65 CarbonylContact O-C 3.56Å; A62-N65 VanDerWaalsContact O-C 3.24Å; A62-N65 PolarHBondContact O-N 3.36Å; V63-N65 VanDerWaalsContact C-N 3.32Å; N65-D67 PolarHBondContact O-N 3.36Å; N65-L68 HydrophobicContact CB-CB 3.89Å; N65-L68 HydrophobicContact CB-CD1 3.54Å; N65-L68 HydrophobicContact CB-CG 3.7Å; N65-L68 PolarHBondContact O-N 3.07Å; N65-L68 VanDerWaalsContact O-N 3.07Å | ||
| 66 | P | 92.9 | Very high | 96.1 | Very high | 102 Ų | 102 | 81.9 Ų | 81.9 | 66% | 0.662 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -30.2 | -175.2 | 24.5 | -34.4 | 0 | 0 | 0 | 112.8 | A62 L68 | A62-P66 WeakPolarHBondContact O-CA 3.01Å; P66-L68 VanDerWaalsContact C-N 3.34Å |
| 67 | D | 94.2 | Very high | 96.1 | Very high | 160 Ų | 160 | 77.1 Ų | 77.1 | 86% | 0.856 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -13.5 | 179.3 | -52.5 | -48.9 | 0 | 0 | 0 | 113.6 | N65 H69 | N65-D67 PolarHBondContact O-N 3.36Å; D67-H69 PolarHBondContact O-N 3.12Å |
| 68 | L | 94.1 | Very high | 96.2 | Very high | 67 Ų | 67 | 76.4 Ų | 76.4 | 35% | 0.351 | 40% | 0.402 | S | S | . | . | S | Bend | trans | -79.1 | 116.9 | -178.8 | -76.8 | -174.5 | 0 | 0 | 0 | 112 | N65 P66 L73 M76 | N65-L68 HydrophobicContact CB-CB 3.89Å; N65-L68 HydrophobicContact CB-CD1 3.54Å; N65-L68 HydrophobicContact CB-CG 3.7Å; N65-L68 PolarHBondContact O-N 3.07Å; N65-L68 VanDerWaalsContact O-N 3.07Å; P66-L68 VanDerWaalsContact C-N 3.34Å; L68-L73 HydrophobicContact CB-CD2 3.86Å; L68-L73 HydrophobicContact CB-CG 4.39Å; L68-L73 HydrophobicContact CD1-CD2 4.12Å; L68-M76 HydrophobicContact CD1-SD 4.31Å |
| 69 | H | 95.8 | Very high | 96.2 | Very high | 145 Ų | 145 | 80.7 Ų | 80.7 | 67% | 0.671 | 42% | 0.422 | S | S | * | . | trans | -62.4 | 145.1 | 176.1 | -170.4 | 65.3 | 0 | 0 | 0 | 112.6 | D67 A71 E72 L73 | D67-H69 PolarHBondContact O-N 3.12Å; H69-A71 PolarHBondContact O-N 2.82Å; H69-E72 PolarHBondContact O-N 2.91Å; H69-L73 PolarHBondContact O-N 2.77Å | ||
| 70 | N | 94.6 | Very high | 96.2 | Very high | 77 Ų | 77 | 76 Ų | 76 | 41% | 0.412 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -56.8 | -27.4 | -172.8 | -159.9 | -79.1 | 0 | 0 | 0 | 114.5 | E72 S74 | N70-E72 VanDerWaalsContact C-N 3.33Å; N70-S74 VanDerWaalsContact O-CB 3.32Å; N70-S74 WeakPolarHBondContact O-CB 3.49Å; N70-S74 PolarHBondContact O-N 3.43Å; N70-S74 PolarHBondContact O-OG 3.1Å; N70-S74 PolarHBondContact OD1-OG 2.81Å |
| 71 | A | 96.9 | Very high | 96.3 | Very high | 56 Ų | 56 | 72.5 Ų | 72.5 | 46% | 0.463 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -62.4 | -38.7 | 174 | 0 | 0 | 0 | 0 | 0 | 112.3 | H69 S74 K75 | H69-A71 PolarHBondContact O-N 2.82Å; A71-S74 PolarHBondContact O-N 2.93Å; A71-K75 WeakPolarHBondContact O-CG 3.38Å; A71-K75 PolarHBondContact O-N 3.34Å |
| 72 | E | 97.3 | Very high | 96.4 | Very high | 73 Ų | 73 | 80.1 Ų | 80.1 | 34% | 0.341 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -74.6 | -43.9 | 178.3 | -160 | 57 | -136.5 | 0 | 0 | 111 | H69 N70 S74 K75 M76 | H69-E72 PolarHBondContact O-N 2.91Å; N70-E72 VanDerWaalsContact C-N 3.33Å; E72-S74 PolarHBondContact O-N 3.43Å; E72-K75 WeakPolarHBondContact O-CB 3.28Å; E72-K75 PolarHBondContact O-N 3.09Å; E72-K75 WeakPolarHBondContact OE1-CD 3.34Å; E72-K75 IonicContact OE1-NZ 3.58Å; E72-K75 WeakPolarHBondContact OE2-CD 3.29Å; E72-K75 WeakPolarHBondContact OE2-CE 3.44Å; E72-K75 IonicContact OE2-NZ 3.93Å; E72-K75 PolarHBondContact OE2-NZ 3.29Å; E72-M76 PolarHBondContact O-N 2.99Å |
| 73 | L | 96.7 | Very high | 96.4 | Very high | 4 Ų | 4 | 82 Ų | 82 | 2% | 0.021 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -53.3 | -42.2 | 170.9 | -57.3 | -175.6 | 0 | 0 | 0 | 111 | R58 L61 A62 L68 H69 K75 M76 L77 | R58-L73 HydrophobicContact CG-CD1 4.44Å; L61-L73 HydrophobicContact CB-CD2 4.03Å; A62-L73 HydrophobicContact CB-CD1 3.88Å; L68-L73 HydrophobicContact CB-CD2 3.86Å; L68-L73 HydrophobicContact CB-CG 4.39Å; L68-L73 HydrophobicContact CD1-CD2 4.12Å; H69-L73 PolarHBondContact O-N 2.77Å; L73-K75 PolarHBondContact O-N 3.47Å; L73-M76 PolarHBondContact O-N 3.22Å; L73-L77 WeakPolarHBondContact O-CB 3.5Å; L73-L77 WeakPolarHBondContact O-CD1 3.49Å; L73-L77 WeakPolarHBondContact O-CG 3.49Å; L73-L77 PolarHBondContact O-N 2.9Å |
| 74 | S | 97.9 | Very high | 96.5 | Very high | 44 Ų | 44 | 78.3 Ų | 78.3 | 31% | 0.308 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -66.5 | -31.6 | 177.8 | -62.6 | 0 | 0 | 0 | 0 | 113.5 | N70 A71 E72 G78 | N70-S74 VanDerWaalsContact O-CB 3.32Å; N70-S74 WeakPolarHBondContact O-CB 3.49Å; N70-S74 PolarHBondContact O-N 3.43Å; N70-S74 PolarHBondContact O-OG 3.1Å; N70-S74 PolarHBondContact OD1-OG 2.81Å; A71-S74 PolarHBondContact O-N 2.93Å; E72-S74 PolarHBondContact O-N 3.43Å; S74-G78 PolarHBondContact O-N 3.06Å; S74-G78 VanDerWaalsContact O-N 3.09Å |
| 75 | K | 97.9 | Very high | 96.7 | Very high | 120 Ų | 120 | 76.2 Ų | 76.2 | 52% | 0.522 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -68.2 | -45.4 | 170.7 | -65.2 | 176.1 | -159.6 | 162.5 | 0 | 111.2 | A71 E72 L73 G78 K79 | A71-K75 WeakPolarHBondContact O-CG 3.38Å; A71-K75 PolarHBondContact O-N 3.34Å; E72-K75 WeakPolarHBondContact O-CB 3.28Å; E72-K75 PolarHBondContact O-N 3.09Å; E72-K75 WeakPolarHBondContact OE1-CD 3.34Å; E72-K75 IonicContact OE1-NZ 3.58Å; E72-K75 WeakPolarHBondContact OE2-CD 3.29Å; E72-K75 WeakPolarHBondContact OE2-CE 3.44Å; E72-K75 IonicContact OE2-NZ 3.93Å; E72-K75 PolarHBondContact OE2-NZ 3.29Å; L73-K75 PolarHBondContact O-N 3.47Å; K75-G78 PolarHBondContact O-N 3.19Å; K75-K79 WeakPolarHBondContact O-CG 3.48Å; K75-K79 PolarHBondContact O-N 2.74Å; K75-K79 VanDerWaalsContact O-N 3.1Å |
| 76 | M | 97.4 | Very high | 97 | Very high | 66 Ų | 66 | 78.5 Ų | 78.5 | 33% | 0.325 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -60.1 | -48.9 | 177.5 | -66.7 | 173.7 | 67.8 | 0 | 0 | 111.1 | L61 L68 E72 L73 G78 K79 S80 | L61-M76 HydrophobicContact CD1-CB 4.44Å; L61-M76 HydrophobicContact CD2-CE 4.24Å; L68-M76 HydrophobicContact CD1-SD 4.31Å; E72-M76 PolarHBondContact O-N 2.99Å; L73-M76 PolarHBondContact O-N 3.22Å; M76-G78 VanDerWaalsContact C-N 3.31Å; M76-G78 PolarHBondContact O-N 2.83Å; M76-K79 WeakPolarHBondContact O-CB 3.37Å; M76-K79 PolarHBondContact O-N 3.16Å; M76-S80 PolarHBondContact O-N 3.14Å; M76-S80 PolarHBondContact O-OG 3.05Å |
| 77 | L | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 76.9 Ų | 76.9 | 0% | 0 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -56.5 | -42.9 | 175.7 | -70.7 | 162.3 | 0 | 0 | 0 | 112.1 | F50 W53 A54 E57 R58 L61 L73 K79 S80 W81 | F50-L77 HydrophobicContact CE2-CB 4.38Å; F50-L77 HydrophobicContact CZ-CB 4.26Å; W53-L77 HydrophobicContact CH2-CB 4.28Å; W53-L77 HydrophobicContact CH2-CD2 3.71Å; W53-L77 WeakPolarHBondContact CH2-O 3.42Å; W53-L77 HydrophobicContact CZ3-CB 4Å; W53-L77 HydrophobicContact CZ3-CD2 3.76Å; W53-L77 VanDerWaalsContact CZ3-O 3.28Å; W53-L77 WeakPolarHBondContact CZ3-O 2.99Å; A54-L77 HydrophobicContact CB-CD1 4.36Å; A54-L77 HydrophobicContact CB-CD2 4.32Å; E57-L77 HydrophobicContact CB-CD2 3.71Å; E57-L77 HydrophobicContact CG-CD2 3.41Å; E57-L77 VanDerWaalsContact CG-CD2 3.41Å; R58-L77 HydrophobicContact CB-CD1 3.67Å; R58-L77 HydrophobicContact CG-CD1 4.07Å; L61-L77 HydrophobicContact CD1-CD2 4.08Å; L61-L77 HydrophobicContact CD1-CG 4.18Å; L73-L77 WeakPolarHBondContact O-CB 3.5Å; L73-L77 WeakPolarHBondContact O-CD1 3.49Å; L73-L77 WeakPolarHBondContact O-CG 3.49Å; L73-L77 PolarHBondContact O-N 2.9Å; L77-K79 VanDerWaalsContact C-N 3.32Å; L77-K79 PolarHBondContact O-N 3.07Å; L77-S80 PolarHBondContact O-N 3.02Å; L77-W81 WeakPolarHBondContact O-CB 3.38Å; L77-W81 PolarHBondContact O-N 2.92Å |
| 78 | G | 98.2 | Very high | 97.4 | Very high | 25 Ų | 25 | 74.1 Ų | 74.1 | 26% | 0.258 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -62.9 | -34.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | S74 K75 M76 K82 | S74-G78 PolarHBondContact O-N 3.06Å; S74-G78 VanDerWaalsContact O-N 3.09Å; K75-G78 PolarHBondContact O-N 3.19Å; M76-G78 VanDerWaalsContact C-N 3.31Å; M76-G78 PolarHBondContact O-N 2.83Å; G78-K82 WeakPolarHBondContact O-CG 3.36Å; G78-K82 PolarHBondContact O-N 2.92Å |
| 79 | K | 98.2 | Very high | 97.6 | Very high | 151 Ų | 151 | 73.1 Ų | 73.1 | 66% | 0.657 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -70.6 | -52 | 173.5 | -67.9 | 174.9 | -180 | -179.5 | 0 | 111 | K75 M76 L77 W81 K82 A83 | K75-K79 WeakPolarHBondContact O-CG 3.48Å; K75-K79 PolarHBondContact O-N 2.74Å; K75-K79 VanDerWaalsContact O-N 3.1Å; M76-K79 WeakPolarHBondContact O-CB 3.37Å; M76-K79 PolarHBondContact O-N 3.16Å; L77-K79 VanDerWaalsContact C-N 3.32Å; L77-K79 PolarHBondContact O-N 3.07Å; K79-W81 PolarHBondContact O-N 3.4Å; K79-K82 WeakPolarHBondContact O-CB 3.46Å; K79-K82 PolarHBondContact O-N 3.43Å; K79-K82 VanDerWaalsContact O-N 3.13Å; K79-A83 PolarHBondContact O-N 2.94Å; K79-A83 VanDerWaalsContact O-N 3.12Å |
| 80 | S | 97.8 | Very high | 97.8 | Very high | 54 Ų | 54 | 72.5 Ų | 72.5 | 38% | 0.378 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -61.9 | -41.7 | -178.5 | -59.3 | 0 | 0 | 0 | 0 | 112.3 | M76 L77 K82 A83 L84 | M76-S80 PolarHBondContact O-N 3.14Å; M76-S80 PolarHBondContact O-OG 3.05Å; L77-S80 PolarHBondContact O-N 3.02Å; S80-K82 VanDerWaalsContact C-N 3.31Å; S80-K82 PolarHBondContact O-N 3.05Å; S80-A83 PolarHBondContact O-N 3.37Å; S80-A83 VanDerWaalsContact O-N 3.12Å; S80-L84 PolarHBondContact O-N 3.13Å; S80-L84 VanDerWaalsContact O-N 3.07Å |
| 81 | W | 98.3 | Very high | 98 | Very high | 46 Ų | 46 | 71.9 Ų | 71.9 | 17% | 0.174 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -59.5 | -39.9 | 174.2 | 178.5 | -105.6 | 0 | 0 | 0 | 112.7 | A49 F50 W53 L77 K79 A83 L84 K89 Y92 | A49-W81 HydrophobicContact CB-CH2 3.97Å; A49-W81 HydrophobicContact CB-CZ2 4.1Å; F50-W81 HydrophobicContact CB-CD2 4.39Å; F50-W81 HydrophobicContact CD2-CB 3.7Å; F50-W81 AromaticContact CD2-CD1 3.82Å; F50-W81 AromaticContact CD2-CD2 3.92Å; F50-W81 HydrophobicContact CD2-CD2 3.92Å; F50-W81 AromaticContact CD2-CG 3.52Å; F50-W81 HydrophobicContact CD2-CG 3.52Å; F50-W81 HydrophobicContact CE2-CB 3.84Å; F50-W81 HydrophobicContact CE2-CG 4.18Å; W53-W81 HydrophobicContact CB-CE3 3.99Å; W53-W81 HydrophobicContact CB-CZ3 3.65Å; W53-W81 AromaticContact CD2-CE3 3.6Å; W53-W81 HydrophobicContact CD2-CE3 3.6Å; W53-W81 HydrophobicContact CD2-CZ3 4.14Å; W53-W81 HydrophobicContact CE3-CB 4.05Å; W53-W81 HydrophobicContact CE3-CD2 4.28Å; W53-W81 AromaticContact CE3-CE3 3.63Å; W53-W81 HydrophobicContact CE3-CE3 3.63Å; W53-W81 HydrophobicContact CE3-CG 4.49Å; W53-W81 HydrophobicContact CE3-CZ3 4.46Å; W53-W81 AromaticContact CG-CE3 3.76Å; W53-W81 HydrophobicContact CG-CE3 3.76Å; W53-W81 AromaticContact CG-CZ3 3.78Å; W53-W81 HydrophobicContact CG-CZ3 3.78Å; W53-W81 HydrophobicContact CH2-CB 4.14Å; W53-W81 HydrophobicContact CZ3-CB 3.69Å; W53-W81 HydrophobicContact CZ3-CE3 4.41Å; L77-W81 WeakPolarHBondContact O-CB 3.38Å; L77-W81 PolarHBondContact O-N 2.92Å; K79-W81 PolarHBondContact O-N 3.4Å; W81-A83 VanDerWaalsContact C-N 3.32Å; W81-A83 PolarHBondContact O-N 3.48Å; W81-L84 HydrophobicContact CE3-CD1 3.76Å; W81-L84 HydrophobicContact CZ3-CD1 4.08Å; W81-L84 PolarHBondContact O-N 3.49Å; W81-K89 HydrophobicContact CE3-CG 4.48Å; W81-K89 HydrophobicContact CH2-CB 4.01Å; W81-K89 HydrophobicContact CH2-CG 3.77Å; W81-K89 HydrophobicContact CZ2-CB 4.36Å; W81-K89 HydrophobicContact CZ2-CD 4.19Å; W81-K89 HydrophobicContact CZ2-CG 3.93Å; W81-K89 HydrophobicContact CZ3-CG 4.07Å; W81-K89 WeakPolarHBondContact O-CE 3.46Å; W81-K89 PolarHBondContact O-NZ 2.68Å; W81-Y92 HydrophobicContact CZ3-CD2 4.15Å; W81-Y92 HydrophobicContact CZ3-CG 4.42Å |
| 82 | K | 98.2 | Very high | 98 | Very high | 172 Ų | 172 | 73.1 Ų | 73.1 | 75% | 0.748 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -62 | -43.2 | 175.5 | -76.5 | 179.4 | 176.6 | -169.3 | 0 | 111.1 | G78 K79 S80 L84 K89 | G78-K82 WeakPolarHBondContact O-CG 3.36Å; G78-K82 PolarHBondContact O-N 2.92Å; K79-K82 WeakPolarHBondContact O-CB 3.46Å; K79-K82 PolarHBondContact O-N 3.43Å; K79-K82 VanDerWaalsContact O-N 3.13Å; S80-K82 VanDerWaalsContact C-N 3.31Å; S80-K82 PolarHBondContact O-N 3.05Å; K82-L84 VanDerWaalsContact C-N 3.34Å; K82-L84 PolarHBondContact O-N 3.43Å; K82-K89 PolarHBondContact O-NZ 3.13Å; K82-K89 VanDerWaalsContact O-NZ 3.15Å |
| 83 | A | 98.1 | Very high | 98.1 | Very high | 81 Ų | 81 | 73.4 Ų | 73.4 | 67% | 0.669 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -68.5 | -22.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115 | K79 S80 W81 T85 | K79-A83 PolarHBondContact O-N 2.94Å; K79-A83 VanDerWaalsContact O-N 3.12Å; S80-A83 PolarHBondContact O-N 3.37Å; S80-A83 VanDerWaalsContact O-N 3.12Å; W81-A83 VanDerWaalsContact C-N 3.32Å; W81-A83 PolarHBondContact O-N 3.48Å; A83-T85 PolarHBondContact O-N 2.89Å |
| 84 | L | 97.9 | Very high | 98.2 | Very high | 38 Ų | 38 | 78.4 Ų | 78.4 | 20% | 0.199 | 41% | 0.411 | C | S | . | . | S | Bend | trans | -60.9 | 136.9 | 174.8 | -66.6 | -178.6 | 0 | 0 | 0 | 111.6 | W53 S80 W81 K82 Q88 K89 | W53-L84 HydrophobicContact CD2-CD1 4.43Å; W53-L84 HydrophobicContact CZ2-CD1 4.36Å; S80-L84 PolarHBondContact O-N 3.13Å; S80-L84 VanDerWaalsContact O-N 3.07Å; W81-L84 HydrophobicContact CE3-CD1 3.76Å; W81-L84 HydrophobicContact CZ3-CD1 4.08Å; W81-L84 PolarHBondContact O-N 3.49Å; K82-L84 VanDerWaalsContact C-N 3.34Å; K82-L84 PolarHBondContact O-N 3.43Å; L84-Q88 HydrophobicContact CB-CB 4.22Å; L84-Q88 HydrophobicContact CD2-CB 4.3Å; L84-K89 HydrophobicContact CB-CG 3.95Å; L84-K89 WeakPolarHBondContact O-CE 3.26Å; L84-K89 PolarHBondContact O-NZ 3.49Å |
| 85 | T | 98.4 | Very high | 98.2 | Very high | 64 Ų | 64 | 79.3 Ų | 79.3 | 39% | 0.393 | 41% | 0.411 | S | S | . | . | trans | -72.4 | 158.6 | 175.8 | 63.1 | 0 | 0 | 0 | 0 | 111.3 | A83 P87 Q88 K89 | A83-T85 PolarHBondContact O-N 2.89Å; T85-P87 WeakPolarHBondContact OG1-CG 3.48Å; T85-Q88 WeakPolarHBondContact O-CB 2.85Å; T85-Q88 PolarHBondContact O-N 3.43Å; T85-Q88 WeakPolarHBondContact OG1-CG 3.35Å; T85-Q88 PolarHBondContact OG1-OE1 3.42Å; T85-Q88 VanDerWaalsContact OG1-OE1 3.13Å; T85-K89 PolarHBondContact O-N 3.15Å | ||
| 86 | P | 97.9 | Very high | 98.2 | Very high | 104 Ų | 104 | 74.1 Ų | 74.1 | 68% | 0.675 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -48.9 | -45.7 | 174.6 | -27.5 | 35.3 | 0 | 0 | 0 | 115.2 | Q88 K89 R90 | P86-Q88 VanDerWaalsContact C-N 3.31Å; P86-Q88 PolarHBondContact O-N 3.12Å; P86-K89 PolarHBondContact O-N 3Å; P86-K89 VanDerWaalsContact O-N 3.14Å; P86-R90 PolarHBondContact O-N 2.81Å |
| 87 | P | 98.3 | Very high | 98.3 | Very high | 68 Ų | 68 | 76.1 Ų | 76.1 | 44% | 0.442 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -64.8 | -30.4 | 176.7 | 24.3 | -34.5 | 0 | 0 | 0 | 113.8 | T85 R90 | T85-P87 WeakPolarHBondContact OG1-CG 3.48Å; P87-R90 PolarHBondContact O-NH1 3.41Å |
| 88 | Q | 98.1 | Very high | 98.3 | Very high | 101 Ų | 101 | 81.2 Ų | 81.2 | 47% | 0.472 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -73.1 | -29.6 | 173.9 | -69 | 169.7 | -32.1 | 0 | 0 | 112.4 | L84 T85 P86 Y92 | L84-Q88 HydrophobicContact CB-CB 4.22Å; L84-Q88 HydrophobicContact CD2-CB 4.3Å; T85-Q88 WeakPolarHBondContact O-CB 2.85Å; T85-Q88 PolarHBondContact O-N 3.43Å; T85-Q88 WeakPolarHBondContact OG1-CG 3.35Å; T85-Q88 PolarHBondContact OG1-OE1 3.42Å; T85-Q88 VanDerWaalsContact OG1-OE1 3.13Å; P86-Q88 VanDerWaalsContact C-N 3.31Å; P86-Q88 PolarHBondContact O-N 3.12Å; Q88-Y92 WeakPolarHBondContact O-CD2 3.46Å; Q88-Y92 VanDerWaalsContact O-CE2 3.29Å; Q88-Y92 WeakPolarHBondContact O-CE2 3.19Å |
| 89 | K | 98.4 | Very high | 98.4 | Very high | 47 Ų | 47 | 81.5 Ų | 81.5 | 20% | 0.204 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -75.7 | -32.5 | 175.5 | -72.9 | 170.4 | 165.7 | 135.3 | 0 | 112.5 | W81 K82 L84 T85 P86 Y92 V93 | W81-K89 HydrophobicContact CE3-CG 4.48Å; W81-K89 HydrophobicContact CH2-CB 4.01Å; W81-K89 HydrophobicContact CH2-CG 3.77Å; W81-K89 HydrophobicContact CZ2-CB 4.36Å; W81-K89 HydrophobicContact CZ2-CD 4.19Å; W81-K89 HydrophobicContact CZ2-CG 3.93Å; W81-K89 HydrophobicContact CZ3-CG 4.07Å; W81-K89 WeakPolarHBondContact O-CE 3.46Å; W81-K89 PolarHBondContact O-NZ 2.68Å; K82-K89 PolarHBondContact O-NZ 3.13Å; K82-K89 VanDerWaalsContact O-NZ 3.15Å; L84-K89 HydrophobicContact CB-CG 3.95Å; L84-K89 WeakPolarHBondContact O-CE 3.26Å; L84-K89 PolarHBondContact O-NZ 3.49Å; T85-K89 PolarHBondContact O-N 3.15Å; P86-K89 PolarHBondContact O-N 3Å; P86-K89 VanDerWaalsContact O-N 3.14Å; K89-Y92 PolarHBondContact O-N 3.06Å; K89-V93 PolarHBondContact O-N 3.17Å; K89-V93 VanDerWaalsContact O-N 3.16Å |
| 90 | R | 98.4 | Very high | 98.4 | Very high | 132 Ų | 132 | 82.3 Ų | 82.3 | 50% | 0.498 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -46 | -53.9 | -173.6 | -158.8 | -163.3 | -62.9 | 100.9 | -4.2 | 115.4 | P86 P87 Y92 V93 E94 | P86-R90 PolarHBondContact O-N 2.81Å; P87-R90 PolarHBondContact O-NH1 3.41Å; R90-Y92 PolarHBondContact O-N 3.04Å; R90-Y92 VanDerWaalsContact O-N 3.16Å; R90-V93 WeakPolarHBondContact O-CA 3.06Å; R90-V93 WeakPolarHBondContact O-CB 3.42Å; R90-V93 PolarHBondContact O-N 3.4Å; R90-E94 WeakPolarHBondContact CD-OE1 3.34Å; R90-E94 HydrophobicContact CG-CG 4.49Å; R90-E94 WeakPolarHBondContact CG-OE1 3.13Å; R90-E94 PolarHBondContact O-N 2.76Å |
| 91 | P | 98.5 | Very high | 98.4 | Very high | 63 Ų | 63 | 81.9 Ų | 81.9 | 41% | 0.409 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -60.8 | -30.2 | -178.2 | 23.6 | -35.3 | 0 | 0 | 0 | 113.3 | E95 | P91-E95 WeakPolarHBondContact O-CB 3.39Å; P91-E95 PolarHBondContact O-N 3.09Å |
| 92 | Y | 98.5 | Very high | 98.4 | Very high | 82 Ų | 82 | 83.3 Ų | 83.3 | 32% | 0.322 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -79.1 | -23.9 | 176.1 | -51.2 | -74.7 | 0 | 0 | 0 | 112.7 | A49 V52 W53 W81 Q88 K89 R90 A96 | A49-Y92 VanDerWaalsContact CA-O 3.24Å; A49-Y92 WeakPolarHBondContact CA-O 3.14Å; A49-Y92 VanDerWaalsContact CB-O 3.28Å; A49-Y92 WeakPolarHBondContact CB-O 3.38Å; V52-Y92 HydrophobicContact CG1-CD1 4.14Å; W53-Y92 HydrophobicContact CB-CD1 3.68Å; W53-Y92 HydrophobicContact CB-CD2 4.16Å; W53-Y92 HydrophobicContact CB-CE1 4Å; W53-Y92 HydrophobicContact CB-CE2 4.46Å; W53-Y92 HydrophobicContact CB-CG 3.77Å; W53-Y92 AromaticContact CD1-CE1 3.91Å; W53-Y92 AromaticContact CD1-CE2 3.68Å; W53-Y92 AromaticContact CD1-CZ 3.55Å; W53-Y92 HydrophobicContact CG-CD1 4.47Å; W53-Y92 HydrophobicContact CG-CD2 4.45Å; W53-Y92 HydrophobicContact CG-CE1 4.39Å; W53-Y92 HydrophobicContact CG-CE2 4.38Å; W53-Y92 HydrophobicContact CG-CG 4.5Å; W81-Y92 HydrophobicContact CZ3-CD2 4.15Å; W81-Y92 HydrophobicContact CZ3-CG 4.42Å; Q88-Y92 WeakPolarHBondContact O-CD2 3.46Å; Q88-Y92 VanDerWaalsContact O-CE2 3.29Å; Q88-Y92 WeakPolarHBondContact O-CE2 3.19Å; K89-Y92 PolarHBondContact O-N 3.06Å; R90-Y92 PolarHBondContact O-N 3.04Å; R90-Y92 VanDerWaalsContact O-N 3.16Å; Y92-A96 WeakPolarHBondContact O-CB 3.38Å; Y92-A96 PolarHBondContact O-N 3.29Å; Y92-A96 VanDerWaalsContact O-N 3.16Å |
| 93 | V | 98.5 | Very high | 98.4 | Very high | 79 Ų | 79 | 76.2 Ų | 76.2 | 48% | 0.479 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -72.9 | -46.4 | 171 | 177.5 | 0 | 0 | 0 | 0 | 109.8 | A49 K89 R90 A96 E97 | A49-V93 HydrophobicContact CB-CB 4.46Å; A49-V93 HydrophobicContact CB-CG2 3.86Å; K89-V93 PolarHBondContact O-N 3.17Å; K89-V93 VanDerWaalsContact O-N 3.16Å; R90-V93 WeakPolarHBondContact O-CA 3.06Å; R90-V93 WeakPolarHBondContact O-CB 3.42Å; R90-V93 PolarHBondContact O-N 3.4Å; V93-A96 PolarHBondContact O-N 2.92Å; V93-E97 WeakPolarHBondContact O-CB 3.32Å; V93-E97 PolarHBondContact O-N 3.26Å |
| 94 | E | 98.6 | Very high | 98.4 | Very high | 109 Ų | 109 | 78 Ų | 78 | 51% | 0.509 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -58.9 | -49.7 | 174.7 | -69.2 | 161.1 | -175.3 | 0 | 0 | 111.3 | R90 A96 E97 R98 | R90-E94 WeakPolarHBondContact CD-OE1 3.34Å; R90-E94 HydrophobicContact CG-CG 4.49Å; R90-E94 WeakPolarHBondContact CG-OE1 3.13Å; R90-E94 PolarHBondContact O-N 2.76Å; E94-A96 VanDerWaalsContact C-N 3.33Å; E94-A96 PolarHBondContact O-N 3.35Å; E94-E97 WeakPolarHBondContact O-CB 3.22Å; E94-E97 PolarHBondContact O-N 3.44Å; E94-E97 VanDerWaalsContact O-N 3.15Å; E94-R98 PolarHBondContact O-N 3.02Å |
| 95 | E | 98.6 | Very high | 98.4 | Very high | 63 Ų | 63 | 82.8 Ų | 82.8 | 29% | 0.294 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -65 | -34 | 177.7 | 176.5 | 56.8 | -163.7 | 0 | 0 | 112.9 | V52 P91 R98 L99 | V52-E95 HydrophobicContact CG1-CB 4.31Å; V52-E95 HydrophobicContact CG1-CG 3.78Å; V52-E95 HydrophobicContact CG2-CG 4.47Å; P91-E95 WeakPolarHBondContact O-CB 3.39Å; P91-E95 PolarHBondContact O-N 3.09Å; E95-R98 IonicContact OE1-CZ 3.33Å; E95-R98 IonicContact OE1-NE 3.8Å; E95-R98 IonicContact OE1-NH2 3.69Å; E95-R98 PolarHBondContact OE1-NH2 3.16Å; E95-R98 IonicContact OE2-CZ 2.7Å; E95-R98 IonicContact OE2-NE 2.66Å; E95-R98 PolarHBondContact OE2-NE 3.3Å; E95-R98 IonicContact OE2-NH2 2.77Å; E95-L99 HydrophobicContact CG-CD1 4.17Å; E95-L99 WeakPolarHBondContact O-CB 3.37Å; E95-L99 VanDerWaalsContact O-CG 3.22Å; E95-L99 WeakPolarHBondContact O-CG 3.24Å; E95-L99 PolarHBondContact O-N 2.97Å; E95-L99 WeakPolarHBondContact OE1-CG 3.43Å |
| 96 | A | 98.6 | Very high | 98.4 | Very high | 12 Ų | 12 | 83.8 Ų | 83.8 | 10% | 0.099 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -72.4 | -28.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | A49 V52 Y92 V93 E94 R100 | A49-A96 HydrophobicContact CB-CB 4.15Å; A49-A96 VanDerWaalsContact N-CB 3.25Å; V52-A96 HydrophobicContact CG2-CB 4.16Å; Y92-A96 WeakPolarHBondContact O-CB 3.38Å; Y92-A96 PolarHBondContact O-N 3.29Å; Y92-A96 VanDerWaalsContact O-N 3.16Å; V93-A96 PolarHBondContact O-N 2.92Å; E94-A96 VanDerWaalsContact C-N 3.33Å; E94-A96 PolarHBondContact O-N 3.35Å; A96-R100 WeakPolarHBondContact O-CB 3.43Å; A96-R100 PolarHBondContact O-N 2.92Å; A96-R100 VanDerWaalsContact O-N 3.1Å |
| 97 | E | 98.7 | Very high | 98.3 | Very high | 107 Ų | 107 | 83.6 Ų | 83.6 | 50% | 0.5 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -68.2 | -51.6 | 170.3 | -165.1 | -69.7 | 150.7 | 0 | 0 | 109.5 | V93 E94 L99 R100 V101 | V93-E97 WeakPolarHBondContact O-CB 3.32Å; V93-E97 PolarHBondContact O-N 3.26Å; E94-E97 WeakPolarHBondContact O-CB 3.22Å; E94-E97 PolarHBondContact O-N 3.44Å; E94-E97 VanDerWaalsContact O-N 3.15Å; E97-L99 VanDerWaalsContact C-N 3.32Å; E97-L99 PolarHBondContact O-N 3.15Å; E97-R100 CarbonylContact O-C 3.54Å; E97-R100 WeakPolarHBondContact O-CA 3.48Å; E97-R100 VanDerWaalsContact O-CB 3.3Å; E97-R100 WeakPolarHBondContact O-CB 3.32Å; E97-R100 PolarHBondContact O-N 2.94Å; E97-V101 PolarHBondContact O-N 2.92Å; E97-V101 WeakPolarHBondContact OE1-CG2 3.43Å |
| 98 | R | 98.8 | Very high | 98.2 | Very high | 107 Ų | 107 | 85.1 Ų | 85.1 | 40% | 0.404 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -54.3 | -46.8 | 176.2 | -165.6 | -160.5 | 66.7 | 69.5 | 3.3 | 111.8 | E94 E95 R100 V101 Q102 | E94-R98 PolarHBondContact O-N 3.02Å; E95-R98 IonicContact OE1-CZ 3.33Å; E95-R98 IonicContact OE1-NE 3.8Å; E95-R98 IonicContact OE1-NH2 3.69Å; E95-R98 PolarHBondContact OE1-NH2 3.16Å; E95-R98 IonicContact OE2-CZ 2.7Å; E95-R98 IonicContact OE2-NE 2.66Å; E95-R98 PolarHBondContact OE2-NE 3.3Å; E95-R98 IonicContact OE2-NH2 2.77Å; R98-R100 VanDerWaalsContact C-N 3.31Å; R98-R100 PolarHBondContact O-N 3.42Å; R98-V101 PolarHBondContact O-N 2.9Å; R98-Q102 VanDerWaalsContact O-CB 3.32Å; R98-Q102 WeakPolarHBondContact O-CB 3.48Å; R98-Q102 PolarHBondContact O-N 3.36Å |
| 99 | L | 98.6 | Very high | 98.1 | Very high | 31 Ų | 31 | 87.8 Ų | 87.8 | 16% | 0.162 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -64.7 | -31 | 175.3 | -74.8 | 170.3 | 0 | 0 | 0 | 113.1 | M47 V52 E95 E97 H103 | M47-L99 HydrophobicContact CB-CD1 4.31Å; M47-L99 HydrophobicContact CE-CD1 3.81Å; V52-L99 HydrophobicContact CG2-CD1 3.83Å; E95-L99 HydrophobicContact CG-CD1 4.17Å; E95-L99 WeakPolarHBondContact O-CB 3.37Å; E95-L99 VanDerWaalsContact O-CG 3.22Å; E95-L99 WeakPolarHBondContact O-CG 3.24Å; E95-L99 PolarHBondContact O-N 2.97Å; E95-L99 WeakPolarHBondContact OE1-CG 3.43Å; E97-L99 VanDerWaalsContact C-N 3.32Å; E97-L99 PolarHBondContact O-N 3.15Å; L99-H103 WeakPolarHBondContact O-CB 3.19Å; L99-H103 PolarHBondContact O-N 2.88Å; L99-H103 VanDerWaalsContact O-N 3.09Å |
| 100 | R | 98.4 | Very high | 98 | Very high | 169 Ų | 169 | 88.6 Ų | 88.6 | 64% | 0.638 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -71.7 | -45 | 174.2 | 171 | -172.3 | 166.4 | 146.9 | -0.5 | 111.1 | A96 E97 R98 H103 M104 | A96-R100 WeakPolarHBondContact O-CB 3.43Å; A96-R100 PolarHBondContact O-N 2.92Å; A96-R100 VanDerWaalsContact O-N 3.1Å; E97-R100 CarbonylContact O-C 3.54Å; E97-R100 WeakPolarHBondContact O-CA 3.48Å; E97-R100 VanDerWaalsContact O-CB 3.3Å; E97-R100 WeakPolarHBondContact O-CB 3.32Å; E97-R100 PolarHBondContact O-N 2.94Å; R98-R100 VanDerWaalsContact C-N 3.31Å; R98-R100 PolarHBondContact O-N 3.42Å; R100-H103 PolarHBondContact O-N 3.16Å; R100-M104 PolarHBondContact O-N 2.86Å |
| 101 | V | 98.4 | Very high | 97.9 | Very high | 45 Ų | 45 | 89.4 Ų | 89.4 | 27% | 0.273 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -63.8 | -49.8 | 178.4 | 172.1 | 0 | 0 | 0 | 0 | 110.2 | E97 R98 H103 M104 Q105 | E97-V101 PolarHBondContact O-N 2.92Å; E97-V101 WeakPolarHBondContact OE1-CG2 3.43Å; R98-V101 PolarHBondContact O-N 2.9Å; V101-H103 VanDerWaalsContact C-N 3.31Å; V101-H103 PolarHBondContact O-N 3.01Å; V101-M104 WeakPolarHBondContact O-CB 3.28Å; V101-M104 PolarHBondContact O-N 3.17Å; V101-Q105 WeakPolarHBondContact O-CG 3.37Å; V101-Q105 PolarHBondContact O-N 2.89Å |
| 102 | Q | 98.4 | Very high | 97.8 | Very high | 75 Ų | 75 | 92.4 Ų | 92.4 | 35% | 0.35 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -55.8 | -46.8 | 175.7 | -165.3 | -160.1 | -49.3 | 0 | 0 | 110.9 | R98 M104 Q105 D106 | R98-Q102 VanDerWaalsContact O-CB 3.32Å; R98-Q102 WeakPolarHBondContact O-CB 3.48Å; R98-Q102 PolarHBondContact O-N 3.36Å; Q102-M104 PolarHBondContact O-N 2.78Å; Q102-Q105 WeakPolarHBondContact O-CB 3.3Å; Q102-Q105 PolarHBondContact O-N 3.08Å; Q102-Q105 VanDerWaalsContact O-N 3.09Å; Q102-D106 PolarHBondContact NE2-OD2 3.18Å; Q102-D106 WeakPolarHBondContact O-CB 3.19Å; Q102-D106 PolarHBondContact O-N 2.96Å |
| 103 | H | 98.5 | Very high | 97.5 | Very high | 24 Ų | 24 | 97 Ų | 97 | 11% | 0.111 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -62.1 | -29.6 | 177.6 | -171.8 | 83.6 | 0 | 0 | 0 | 114.2 | I43 R44 P46 L99 R100 V101 Y107 Y110 | I43-H103 WeakPolarHBondContact CG2-CE1 3.5Å; R44-H103 PolarHBondContact O-CE1 2.97Å; P46-H103 HydrophobicContact CB-CB 4.02Å; P46-H103 HydrophobicContact CG-CB 4.2Å; L99-H103 WeakPolarHBondContact O-CB 3.19Å; L99-H103 PolarHBondContact O-N 2.88Å; L99-H103 VanDerWaalsContact O-N 3.09Å; R100-H103 PolarHBondContact O-N 3.16Å; V101-H103 VanDerWaalsContact C-N 3.31Å; V101-H103 PolarHBondContact O-N 3.01Å; H103-Y107 AromaticContact CE1-CD2 3.55Å; H103-Y107 AromaticContact CE1-CE2 3.93Å; H103-Y107 AromaticContact ND1-CD2 3.52Å; H103-Y107 AromaticContact ND1-CE2 3.79Å; H103-Y107 WeakPolarHBondContact O-CB 3.45Å; H103-Y107 WeakPolarHBondContact O-CD2 3.35Å; H103-Y107 PolarHBondContact O-N 3.42Å; H103-Y107 VanDerWaalsContact O-N 3.09Å; H103-Y110 AromaticContact CD2-CD1 3.9Å; H103-Y110 AromaticContact NE2-CD1 3.44Å; H103-Y110 WeakPolarHBondContact NE2-CD1 3.41Å; H103-Y110 AromaticContact NE2-CD2 3.93Å; H103-Y110 AromaticContact NE2-CE1 3.59Å; H103-Y110 AromaticContact NE2-CG 3.61Å; H103-Y110 AromaticContact NE2-CZ 3.89Å |
| 104 | M | 97.9 | Very high | 97.3 | Very high | 118 Ų | 118 | 97.5 Ų | 97.5 | 58% | 0.581 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -76 | -32.6 | 175.9 | -173.1 | 175.1 | 70 | 0 | 0 | 111.9 | R100 V101 Q102 Y107 P108 | R100-M104 PolarHBondContact O-N 2.86Å; V101-M104 WeakPolarHBondContact O-CB 3.28Å; V101-M104 PolarHBondContact O-N 3.17Å; Q102-M104 PolarHBondContact O-N 2.78Å; M104-Y107 CarbonylContact O-C 3.6Å; M104-P108 WeakPolarHBondContact O-CA 3.07Å |
| 105 | Q | 98.1 | Very high | 96.9 | Very high | 139 Ų | 139 | 102.9 Ų | 102.9 | 65% | 0.65 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -73.1 | -47.1 | 173.2 | -66.3 | 172.1 | -0.9 | 0 | 0 | 111.4 | V101 Q102 Y107 | V101-Q105 WeakPolarHBondContact O-CG 3.37Å; V101-Q105 PolarHBondContact O-N 2.89Å; Q102-Q105 WeakPolarHBondContact O-CB 3.3Å; Q102-Q105 PolarHBondContact O-N 3.08Å; Q102-Q105 VanDerWaalsContact O-N 3.09Å; Q105-Y107 VanDerWaalsContact C-N 3.27Å; Q105-Y107 PolarHBondContact O-N 3.38Å |
| 106 | D | 97.4 | Very high | 96.4 | Very high | 84 Ų | 84 | 111.3 Ų | 111.3 | 45% | 0.449 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.5 | -32.5 | 178.2 | -65.3 | -18.3 | 0 | 0 | 0 | 111.9 | Q102 | Q102-D106 PolarHBondContact NE2-OD2 3.18Å; Q102-D106 WeakPolarHBondContact O-CB 3.19Å; Q102-D106 PolarHBondContact O-N 2.96Å |
| 107 | Y | 97 | Very high | 95.8 | Very high | 101 Ų | 101 | 119 Ų | 119 | 40% | 0.396 | 53% | 0.531 | S | S | . | . | trans | -137.1 | 70.1 | -174.6 | -50.5 | -73.5 | 0 | 0 | 0 | 112.7 | I43 H103 M104 Q105 N109 Y110 | I43-Y107 HydrophobicContact CD1-CD1 3.47Å; I43-Y107 VanDerWaalsContact CD1-CD1 3.47Å; I43-Y107 HydrophobicContact CD1-CE1 3.99Å; I43-Y107 HydrophobicContact CD1-CG 3.97Å; I43-Y107 HydrophobicContact CG1-CD1 3.89Å; I43-Y107 HydrophobicContact CG1-CE1 3.92Å; I43-Y107 HydrophobicContact CG1-CG 4.39Å; I43-Y107 HydrophobicContact CG2-CD1 4.28Å; I43-Y107 HydrophobicContact CG2-CD2 3.88Å; I43-Y107 HydrophobicContact CG2-CE1 4.49Å; I43-Y107 HydrophobicContact CG2-CE2 4.11Å; I43-Y107 HydrophobicContact CG2-CG 3.96Å; H103-Y107 AromaticContact CE1-CD2 3.55Å; H103-Y107 AromaticContact CE1-CE2 3.93Å; H103-Y107 AromaticContact ND1-CD2 3.52Å; H103-Y107 AromaticContact ND1-CE2 3.79Å; H103-Y107 WeakPolarHBondContact O-CB 3.45Å; H103-Y107 WeakPolarHBondContact O-CD2 3.35Å; H103-Y107 PolarHBondContact O-N 3.42Å; H103-Y107 VanDerWaalsContact O-N 3.09Å; M104-Y107 CarbonylContact O-C 3.6Å; Q105-Y107 VanDerWaalsContact C-N 3.27Å; Q105-Y107 PolarHBondContact O-N 3.38Å; Y107-N109 PolarHBondContact O-N 2.81Å; Y107-N109 VanDerWaalsContact O-N 3.13Å; Y107-Y110 WeakPolarHBondContact O-CB 3.44Å; Y107-Y110 PolarHBondContact O-N 3.38Å | ||
| 108 | P | 96.4 | Very high | 94.9 | Very high | 100 Ų | 100 | 123.5 Ų | 123.5 | 65% | 0.649 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -26.4 | -173.8 | 24.5 | -34.8 | 0 | 0 | 0 | 113.8 | M104 | M104-P108 WeakPolarHBondContact O-CA 3.07Š|
| 109 | N | 95.5 | Very high | 93.3 | Very high | 157 Ų | 157 | 124.6 Ų | 124.6 | 84% | 0.84 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.3 | 6.8 | 176.3 | -52.8 | 101.9 | 0 | 0 | 0 | 113.8 | Y107 K111 | Y107-N109 PolarHBondContact O-N 2.81Å; Y107-N109 VanDerWaalsContact O-N 3.13Å; N109-K111 PolarHBondContact O-N 3.09Å |
| 110 | Y | 96.9 | Very high | 91.5 | Very high | 63 Ų | 63 | 129.9 Ų | 129.9 | 25% | 0.247 | 59% | 0.586 | C | S | . | * | trans | -65.9 | 123.1 | -179.1 | 174.3 | -101.1 | 0 | 0 | 0 | 111.9 | I43 R45 H103 Y107 | I43-Y110 HydrophobicContact CB-CD2 3.91Å; I43-Y110 HydrophobicContact CB-CE2 4.11Å; I43-Y110 HydrophobicContact CD1-CD2 4.47Å; I43-Y110 HydrophobicContact CG2-CD2 3.45Å; I43-Y110 VanDerWaalsContact CG2-CD2 3.45Å; I43-Y110 HydrophobicContact CG2-CE2 3.73Å; I43-Y110 HydrophobicContact CG2-CG 4.24Å; R45-Y110 WeakPolarHBondContact CG-OH 3.48Å; H103-Y110 AromaticContact CD2-CD1 3.9Å; H103-Y110 AromaticContact NE2-CD1 3.44Å; H103-Y110 WeakPolarHBondContact NE2-CD1 3.41Å; H103-Y110 AromaticContact NE2-CD2 3.93Å; H103-Y110 AromaticContact NE2-CE1 3.59Å; H103-Y110 AromaticContact NE2-CG 3.61Å; H103-Y110 AromaticContact NE2-CZ 3.89Å; Y107-Y110 WeakPolarHBondContact O-CB 3.44Å; Y107-Y110 PolarHBondContact O-N 3.38Å | ||
| 111 | K | 95.1 | Very high | 89.7 | Confident | 150 Ų | 150 | 130.5 Ų | 130.5 | 65% | 0.652 | 59% | 0.593 | S | S | * | * | trans | -125.5 | 121.6 | 176.2 | -170.5 | 163.4 | -173.9 | 164.3 | 0 | 111 | N109 R113 | N109-K111 PolarHBondContact O-N 3.09Å; K111-R113 PolarHBondContact O-N 3.02Å; K111-R113 VanDerWaalsContact O-N 3.13Å | ||
| 112 | Y | 96.2 | Very high | 87.7 | Confident | 126 Ų | 126 | 136.9 Ų | 136.9 | 49% | 0.494 | 61% | 0.613 | S | S | . | * | trans | -65.1 | 114.5 | 175.5 | 178.1 | -126.4 | 0 | 0 | 0 | 110.9 | R45 P114 | R45-Y112 HydrophobicContact CG-CD2 4.36Å; Y112-P114 HydrophobicContact CD1-CG 4.2Å; Y112-P114 HydrophobicContact CE1-CG 3.66Å | ||
| 113 | R | 93.8 | Very high | 85.8 | Confident | 178 Ų | 178 | 139.5 Ų | 139.5 | 67% | 0.672 | 63% | 0.628 | S | S | * | * | trans | -117.3 | 99.7 | 177.2 | -65.9 | 178.9 | -172.3 | -111.4 | 7.8 | 109.8 | K111 R115 | K111-R113 PolarHBondContact O-N 3.02Å; K111-R113 VanDerWaalsContact O-N 3.13Å; R113-R115 PolarHBondContact O-N 3.23Å | ||
| 114 | P | 93.3 | Very high | 83.8 | Confident | 89 Ų | 89 | 143.4 Ų | 143.4 | 58% | 0.578 | 66% | 0.656 | S | S | * | * | trans | -60.2 | 131 | 174.7 | -21.4 | 30.8 | 0 | 0 | 0 | 111.9 | Y112 R116 | Y112-P114 HydrophobicContact CD1-CG 4.2Å; Y112-P114 HydrophobicContact CE1-CG 3.66Å; P114-R116 PolarHBondContact O-N 3.03Å | ||
| 115 | R | 90.7 | Very high | 81.9 | Confident | 223 Ų | 223 | 147.1 Ų | 147.1 | 84% | 0.842 | 67% | 0.669 | S | S | * | * | trans | -83.7 | 105 | 178.2 | -171.2 | 175.8 | -173.1 | -91.9 | 5.6 | 110.9 | R113 K117 | R113-R115 PolarHBondContact O-N 3.23Å; R115-K117 PolarHBondContact O-N 3.05Å | ||
| 116 | R | 88.4 | Confident | 80 | Confident | 239 Ų | 239 | 151.6 Ų | 151.6 | 90% | 0.902 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 122 | 169.3 | -63.5 | -180 | 81.8 | 172 | 4 | 109.2 | P114 | P114-R116 PolarHBondContact O-N 3.03Š|
| 117 | K | 85.2 | Confident | 78 | Confident | 174 Ų | 174 | 150.9 Ų | 150.9 | 76% | 0.757 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 121.7 | 171.3 | -70.3 | -177.1 | 178.5 | 179.3 | 0 | 108.7 | R115 Q119 | R115-K117 PolarHBondContact O-N 3.05Å; K117-Q119 PolarHBondContact O-N 3.35Å |
| 118 | K | 79.5 | Confident | 76.3 | Confident | 201 Ų | 201 | 151.8 Ų | 151.8 | 87% | 0.874 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 125.2 | 167.9 | -65.3 | -173.6 | 176.9 | -175.2 | 0 | 108.2 | L120 | K118-L120 PolarHBondContact O-N 3.42Š|
| 119 | Q | 65.3 | Low | 74.5 | Confident | 130 Ų | 130 | 152.5 Ų | 152.5 | 61% | 0.607 | 70% | 0.695 | S | S | * | * | trans | -74.8 | 20.4 | -169 | -74.6 | -85.3 | 55.3 | 0 | 0 | 115.1 | K117 K121 | K117-Q119 PolarHBondContact O-N 3.35Å; Q119-K121 PolarHBondContact O-N 2.87Å | ||
| 120 | L | 61.3 | Low | 72.7 | Confident | 142 Ų | 142 | 146.8 Ų | 146.8 | 74% | 0.743 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | -13.1 | -160.5 | -170.2 | 55.4 | 0 | 0 | 0 | 116 | K118 | K118-L120 PolarHBondContact O-N 3.42Š|
| 121 | K | 60.3 | Low | 70.9 | Confident | 182 Ų | 182 | 151.9 Ų | 151.9 | 79% | 0.791 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137.7 | 31.6 | -170.2 | -63.9 | -166.8 | 176.1 | -171.2 | 0 | 116 | Q119 | Q119-K121 PolarHBondContact O-N 2.87Š|
| 122 | R | 57.1 | Low | 69.1 | Low | 180 Ų | 180 | 151.5 Ų | 151.5 | 68% | 0.679 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -112.5 | -6.6 | 171.6 | -77.7 | -164.6 | -64.5 | 152.5 | -1.7 | 115.8 | ||
| 123 | I | 58.4 | Low | 67.3 | Low | 130 Ų | 130 | 152.8 Ų | 152.8 | 67% | 0.667 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -87.4 | -39.8 | 174.8 | -69.1 | 170.5 | 0 | 0 | 0 | 110.8 | K125 R126 V127 | I123-K125 PolarHBondContact O-N 2.88Å; I123-R126 PolarHBondContact O-N 3.1Å; I123-V127 PolarHBondContact O-N 3.13Å |
| 124 | C | 56.2 | Low | 65.3 | Low | 105 Ų | 105 | 149.9 Ų | 149.9 | 71% | 0.709 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.5 | 18.5 | 179.4 | -47.1 | 0 | 0 | 0 | 0 | 116.2 | ||
| 125 | K | 58.4 | Low | 63 | Low | 197 Ų | 197 | 148.7 Ų | 148.7 | 86% | 0.857 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130 | 6.1 | 171 | -73.5 | -160.4 | 173 | -163 | 0 | 113.3 | I123 | I123-K125 PolarHBondContact O-N 2.88Š|
| 126 | R | 58.1 | Low | 60.9 | Low | 232 Ų | 232 | 145.9 Ų | 145.9 | 88% | 0.875 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.2 | 2.3 | 177.1 | -119.3 | -163.9 | -74.7 | 152.4 | -13.6 | 114.9 | I123 | I123-R126 PolarHBondContact O-N 3.1Š|
| 127 | V | 55.3 | Low | 58.5 | Low | 70 Ų | 70 | 139.1 Ų | 139.1 | 42% | 0.424 | 72% | 0.723 | S | S | . | * | S | Bend | trans | -125.6 | 125.4 | 164.7 | 160.5 | 0 | 0 | 0 | 0 | 106.2 | I123 F131 | I123-V127 PolarHBondContact O-N 3.13Å; V127-F131 HydrophobicContact CG1-CB 4.33Å |
| 128 | D | 60.5 | Low | 56.6 | Low | 120 Ų | 120 | 136.8 Ų | 136.8 | 64% | 0.642 | 73% | 0.725 | S | S | * | * | trans | -62.6 | 133.9 | 168.5 | -172.3 | -71.5 | 0 | 0 | 0 | 109 | G130 F131 | D128-G130 PolarHBondContact O-N 3.13Å; D128-G130 PolarHBondContact OD1-N 3.09Å; D128-F131 PolarHBondContact O-N 2.93Å; D128-F131 VanDerWaalsContact O-N 3.17Å | ||
| 129 | P | 59 | Low | 54.7 | Low | 115 Ų | 115 | 134.6 Ų | 134.6 | 75% | 0.747 | 72% | 0.724 | S | S | * | * | G | 310 helix | trans | -60.5 | -15.7 | -178.1 | 24.6 | -33.6 | 0 | 0 | 0 | 114.1 | ||
| 130 | G | 57 | Low | 53.6 | Low | 37 Ų | 37 | 136.6 Ų | 136.6 | 38% | 0.381 | 73% | 0.732 | S | S | . | * | G | 310 helix | trans | -67.9 | -25.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | D128 L132 L133 | D128-G130 PolarHBondContact O-N 3.13Å; D128-G130 PolarHBondContact OD1-N 3.09Å; G130-L132 VanDerWaalsContact C-N 3.28Å; G130-L132 PolarHBondContact O-N 3.48Å; G130-L133 PolarHBondContact O-N 3.33Å |
| 131 | F | 59.4 | Low | 52.5 | Low | 170 Ų | 170 | 135.1 Ų | 135.1 | 75% | 0.746 | 73% | 0.729 | S | S | * | * | G | 310 helix | trans | -70.3 | -21.8 | -173.5 | -167.6 | -98.4 | 0 | 0 | 0 | 114 | V127 D128 | V127-F131 HydrophobicContact CG1-CB 4.33Å; D128-F131 PolarHBondContact O-N 2.93Å; D128-F131 VanDerWaalsContact O-N 3.17Å |
| 132 | L | 57.3 | Low | 51.2 | Low | 141 Ų | 141 | 132 Ų | 132 | 74% | 0.738 | 73% | 0.731 | S | S | * | * | G | 310 helix | trans | -96 | -4.6 | -178.1 | -61.8 | -178.6 | 0 | 0 | 0 | 114.1 | G130 | G130-L132 VanDerWaalsContact C-N 3.28Å; G130-L132 PolarHBondContact O-N 3.48Å |
| 133 | L | 58.4 | Low | 50.2 | Low | 154 Ų | 154 | 131.3 Ų | 131.3 | 81% | 0.806 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.8 | -10.4 | -173.9 | -139.1 | 74.2 | 0 | 0 | 0 | 114.6 | G130 G135 | G130-L133 PolarHBondContact O-N 3.33Å; L133-G135 VanDerWaalsContact C-N 3.31Å; L133-G135 PolarHBondContact O-N 3.27Å |
| 134 | S | 51.4 | Low | 50.2 | Low | 116 Ų | 116 | 130.3 Ų | 130.3 | 81% | 0.811 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.6 | 2.9 | -179.8 | -53.6 | 0 | 0 | 0 | 0 | 114.9 | ||
| 135 | G | 46 | Very low | 49 | Very low | 65 Ų | 65 | 133.5 Ų | 133.5 | 67% | 0.67 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.1 | -7.2 | -170.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | L133 | L133-G135 VanDerWaalsContact C-N 3.31Å; L133-G135 PolarHBondContact O-N 3.27Å |
| 136 | L | 45.8 | Very low | 47.9 | Very low | 164 Ų | 164 | 130.7 Ų | 130.7 | 86% | 0.859 | 74% | 0.736 | S | S | * | * | trans | -136.8 | 77.8 | -172.4 | -66 | 175.9 | 0 | 0 | 0 | 111.7 | ||||
| 137 | A | 39.8 | Very low | 46.7 | Very low | 97 Ų | 97 | 129.8 Ų | 129.8 | 80% | 0.802 | 73% | 0.732 | S | S | * | * | trans | -111.1 | 113.5 | 163.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 138 | P | 43.3 | Very low | 45.6 | Very low | 124 Ų | 124 | 130.6 Ų | 130.6 | 81% | 0.805 | 75% | 0.746 | S | S | * | * | trans | -93.8 | 113.2 | 163.6 | 0.7 | 19.4 | 0 | 0 | 0 | 109.6 | ||||
| 139 | D | 40 | Very low | 44.3 | Very low | 156 Ų | 156 | 132.9 Ų | 132.9 | 83% | 0.834 | 76% | 0.758 | S | S | * | * | trans | -71.2 | 124.4 | 164.5 | -82.3 | -46.4 | 0 | 0 | 0 | 110.3 | ||||
| 140 | H | 43.8 | Very low | 43 | Very low | 171 Ų | 171 | 133 Ų | 133 | 79% | 0.792 | 76% | 0.761 | S | S | * | * | -176.6 | 117.5 | 126 | -116.2 | -120.2 | 0 | 0 | 0 | 114.5 | |||||
| 141 | V | 36.4 | Very low | 42.1 | Very low | 111 Ų | 111 | 140.2 Ų | 140.2 | 67% | 0.673 | 79% | 0.785 | S | S | * | * | 62.8 | 125.4 | 120.9 | 176.5 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 142 | S | 34.5 | Very low | 41.8 | Very low | 118 Ų | 118 | 136.2 Ų | 136.2 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | trans | 96.3 | 128.3 | 150.4 | -72.6 | 0 | 0 | 0 | 0 | 123 | ||||
| 143 | L | 34.9 | Very low | 40.9 | Very low | 164 Ų | 164 | 137.8 Ų | 137.8 | 86% | 0.859 | 78% | 0.784 | S | S | * | * | trans | -72.2 | -179.3 | 163.3 | -83.1 | 165.2 | 0 | 0 | 0 | 112.8 | ||||
| 144 | P | 57.9 | Low | 39.9 | Very low | 110 Ų | 110 | 136.7 Ų | 136.7 | 71% | 0.714 | 78% | 0.779 | S | S | * | * | cis | -131 | -177.1 | -21 | 29.6 | -8.6 | 0 | 0 | 0 | 113.4 | ||||
| 145 | E | 31.1 | Very low | 39.4 | Very low | 172 Ų | 172 | 140.2 Ų | 140.2 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | 159.2 | 170.6 | 123.4 | -165.4 | 153.5 | 179.2 | 0 | 0 | 113.8 | |||||
| 146 | Q | 35.2 | Very low | 39 | Very low | 138 Ų | 138 | 143.1 Ų | 143.1 | 65% | 0.645 | 78% | 0.78 | S | S | * | * | trans | -79.9 | 176.9 | -154.4 | -61.8 | 175.2 | -15.1 | 0 | 0 | 118.6 | ||||
| 147 | R | 33.8 | Very low | 38.7 | Very low | 212 Ų | 212 | 143.4 Ų | 143.4 | 80% | 0.8 | 78% | 0.777 | S | S | * | * | trans | 84.4 | 138.9 | 158.6 | -75.6 | -179 | 171.9 | 78.3 | 1.2 | 116.3 | ||||
| 148 | A | 32.3 | Very low | 38.4 | Very low | 87 Ų | 87 | 142.5 Ų | 142.5 | 72% | 0.719 | 78% | 0.777 | S | S | * | * | cis | -153.1 | 151.5 | -4.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 149 | L | 33 | Very low | 38.1 | Very low | 168 Ų | 168 | 141.8 Ų | 141.8 | 88% | 0.88 | 78% | 0.775 | S | S | * | * | trans | -10.7 | 130.7 | 152.2 | -65.3 | 150.3 | 0 | 0 | 0 | 118.3 | ||||
| 150 | S | 31.4 | Very low | 38 | Very low | 118 Ų | 118 | 139.1 Ų | 139.1 | 83% | 0.825 | 77% | 0.768 | S | S | * | * | 178.1 | 113.5 | 104.8 | 55.6 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 151 | H | 39.1 | Very low | 37.6 | Very low | 188 Ų | 188 | 138.9 Ų | 138.9 | 87% | 0.87 | 77% | 0.773 | S | S | * | * | trans | -85 | -178.2 | 150.3 | -107 | -92.7 | 0 | 0 | 0 | 108.7 | ||||
| 152 | P | 52.5 | Low | 37.4 | Very low | 87 Ų | 87 | 137 Ų | 137 | 57% | 0.565 | 78% | 0.776 | S | S | * | * | cis | -130.5 | -172.6 | -19 | 35.5 | -17.1 | 0 | 0 | 0 | 112.5 | ||||
| 153 | L | 38.4 | Very low | 37.5 | Very low | 174 Ų | 174 | 138.8 Ų | 138.8 | 91% | 0.911 | 78% | 0.781 | S | S | * | * | trans | -148 | 126.1 | 140.9 | -142.3 | 147.3 | 0 | 0 | 0 | 110.3 | ||||
| 154 | D | 38.1 | Very low | 37.5 | Very low | 130 Ų | 130 | 134.7 Ų | 134.7 | 70% | 0.695 | 78% | 0.779 | S | S | * | * | trans | -90.8 | -172.4 | -167.3 | -59.5 | -94.5 | 0 | 0 | 0 | 114.6 | ||||
| 155 | K | 40.3 | Very low | 36.3 | Very low | 190 Ų | 190 | 133.4 Ų | 133.4 | 83% | 0.826 | 79% | 0.785 | S | S | * | * | trans | 96.9 | 134.1 | 152.1 | -143.6 | 168.3 | -176.8 | 171.8 | 0 | 116.6 | ||||
| 156 | D | 36.6 | Very low | 36.7 | Very low | 127 Ų | 127 | 130 Ų | 130 | 68% | 0.679 | 79% | 0.787 | S | S | * | * | cis | -146.5 | 131.3 | 0.2 | -135.5 | -128.7 | 0 | 0 | 0 | 106.3 | ||||
| 157 | E | 39.9 | Very low | 36.8 | Very low | 169 Ų | 169 | 132.5 Ų | 132.5 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | 58.9 | 135.3 | 102 | -102.6 | -71.6 | 72.9 | 0 | 0 | 119.2 | |||||
| 158 | G | 33.7 | Very low | 36.9 | Very low | 78 Ų | 78 | 127.3 Ų | 127.3 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | trans | 154.5 | 82.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 159 | S | 37 | Very low | 37 | Very low | 109 Ų | 109 | 128.3 Ų | 128.3 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | trans | -105.1 | 147 | -171.4 | -171.5 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 160 | S | 37.7 | Very low | 37.1 | Very low | 100 Ų | 100 | 125.8 Ų | 125.8 | 70% | 0.699 | 79% | 0.79 | S | S | * | * | trans | -178.6 | 137.6 | 137.6 | 43.3 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 161 | N | 36.9 | Very low | 37.4 | Very low | 167 Ų | 167 | 125.7 Ų | 125.7 | 89% | 0.893 | 79% | 0.79 | S | S | * | * | trans | 59.4 | 134.2 | 159.1 | -52.9 | -12.1 | 0 | 0 | 0 | 119.2 | ||||
| 162 | G | 32.2 | Very low | 37.9 | Very low | 70 Ų | 70 | 122.6 Ų | 122.6 | 72% | 0.722 | 79% | 0.786 | S | S | * | * | cis | 154 | 142.6 | -5.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 163 | V | 36.7 | Very low | 37 | Very low | 156 Ų | 156 | 123.1 Ų | 123.1 | 95% | 0.945 | 80% | 0.798 | S | S | * | * | trans | 87.5 | 113.7 | 163.8 | -169 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 164 | G | 33.9 | Very low | 37.2 | Very low | 79 Ų | 79 | 122.8 Ų | 122.8 | 81% | 0.814 | 80% | 0.796 | S | S | * | * | trans | 86.9 | 130.6 | 142.9 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 165 | G | 32.8 | Very low | 37.5 | Very low | 82 Ų | 82 | 122.9 Ų | 122.9 | 85% | 0.845 | 80% | 0.804 | S | S | * | * | cis | 177 | 149 | -4.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 166 | A | 39.1 | Very low | 37.3 | Very low | 101 Ų | 101 | 119.1 Ų | 119.1 | 84% | 0.835 | 80% | 0.802 | S | S | * | * | trans | -124.6 | 133.4 | -169.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 167 | F | 37.4 | Very low | 37.5 | Very low | 190 Ų | 190 | 118.6 Ų | 118.6 | 83% | 0.833 | 80% | 0.803 | S | S | * | * | trans | -169.8 | 128.4 | 151.1 | 60.6 | -87 | 0 | 0 | 0 | 106.6 | ||||
| 168 | S | 36.3 | Very low | 37.6 | Very low | 104 Ų | 104 | 122.1 Ų | 122.1 | 73% | 0.727 | 81% | 0.809 | S | S | * | * | 92.8 | 115 | 51.8 | -67.4 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 169 | S | 34.6 | Very low | 37.9 | Very low | 108 Ų | 108 | 124.7 Ų | 124.7 | 76% | 0.755 | 81% | 0.809 | S | S | * | * | trans | 58.8 | 126.4 | 147.4 | 58.7 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 170 | S | 34 | Very low | 37.9 | Very low | 114 Ų | 114 | 129.1 Ų | 129.1 | 80% | 0.797 | 82% | 0.815 | S | S | * | * | -178.5 | 134 | 95.7 | -73.4 | 0 | 0 | 0 | 0 | 113 | |||||
| 171 | S | 37.6 | Very low | 37.8 | Very low | 117 Ų | 117 | 135.3 Ų | 135.3 | 82% | 0.818 | 82% | 0.823 | S | S | * | * | trans | -81.6 | 163.4 | 159.6 | -58.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 172 | P | 49.5 | Very low | 37.8 | Very low | 122 Ų | 122 | 136 Ų | 136 | 79% | 0.792 | 82% | 0.821 | S | S | * | * | -149.8 | 153.4 | 108.6 | 36.5 | -20.2 | 0 | 0 | 0 | 117.3 | |||||
| 173 | A | 34.3 | Very low | 38.8 | Very low | 99 Ų | 99 | 138.3 Ų | 138.3 | 82% | 0.818 | 82% | 0.823 | S | S | * | * | trans | 54.4 | 137.7 | 141.1 | 0 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 174 | L | 42.5 | Very low | 39 | Very low | 167 Ų | 167 | 136.1 Ų | 136.1 | 87% | 0.874 | 82% | 0.821 | S | S | * | * | trans | -79.9 | 168.9 | 171.7 | -58.5 | 169.7 | 0 | 0 | 0 | 112.4 | ||||
| 175 | P | 44.4 | Very low | 39 | Very low | 132 Ų | 132 | 136 Ų | 136 | 86% | 0.857 | 82% | 0.82 | S | S | * | * | -136 | 179.3 | 109.9 | 39.1 | -30 | 0 | 0 | 0 | 114.8 | |||||
| 176 | S | 36.9 | Very low | 39.2 | Very low | 110 Ų | 110 | 137.4 Ų | 137.4 | 77% | 0.769 | 82% | 0.817 | S | S | * | * | trans | -109.5 | 168.7 | -164.9 | -170.2 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 177 | V | 40.6 | Very low | 39.2 | Very low | 116 Ų | 116 | 137.7 Ų | 137.7 | 70% | 0.703 | 81% | 0.813 | S | S | * | * | trans | 71 | 116.3 | 164 | -167.4 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 178 | R | 40.7 | Very low | 39.1 | Very low | 244 Ų | 244 | 134.9 Ų | 134.9 | 92% | 0.921 | 82% | 0.817 | S | S | * | * | -163.2 | 122.6 | 120 | -104.6 | 162.5 | -155.3 | -103.7 | 2 | 113.4 | |||||
| 179 | T | 41.8 | Very low | 39.4 | Very low | 132 Ų | 132 | 135.1 Ų | 135.1 | 81% | 0.81 | 82% | 0.819 | S | S | * | * | trans | -76.8 | 150.8 | 166.2 | 32.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 180 | F | 36.1 | Very low | 39.7 | Very low | 201 Ų | 201 | 139.3 Ų | 139.3 | 88% | 0.882 | 82% | 0.824 | S | S | * | * | trans | -143.4 | 94.9 | 170.6 | -155.5 | -86.2 | 0 | 0 | 0 | 105.8 | ||||
| 181 | R | 35.3 | Very low | 40.2 | Very low | 230 Ų | 230 | 139.7 Ų | 139.7 | 87% | 0.868 | 82% | 0.817 | S | S | * | * | 59.4 | 81.8 | 79.3 | -157.3 | -179.2 | -164.2 | -164.9 | 4.8 | 113 | |||||
| 182 | E | 37.6 | Very low | 40.7 | Very low | 181 Ų | 181 | 139.9 Ų | 139.9 | 85% | 0.846 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -89.2 | 142 | 167.7 | -164.1 | 169.8 | 170 | 0 | 0 | 109.7 | ||
| 183 | P | 53.3 | Low | 40.2 | Very low | 120 Ų | 120 | 144.7 Ų | 144.7 | 78% | 0.779 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 144.7 | -177.1 | 32.1 | -34 | 0 | 0 | 0 | 112.9 | ||
| 184 | A | 40.2 | Very low | 41.1 | Very low | 109 Ų | 109 | 144.4 Ų | 144.4 | 90% | 0.901 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 146.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 185 | G | 33.8 | Very low | 41.5 | Very low | 77 Ų | 77 | 147.9 Ų | 147.9 | 79% | 0.794 | 81% | 0.81 | S | S | * | * | trans | -165.5 | 63.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 186 | S | 37.8 | Very low | 41.4 | Very low | 111 Ų | 111 | 145.3 Ų | 145.3 | 78% | 0.776 | 81% | 0.807 | S | S | * | * | trans | 64.1 | 95.1 | 158.6 | -131 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 187 | S | 37.8 | Very low | 42 | Very low | 107 Ų | 107 | 147.9 Ų | 147.9 | 75% | 0.748 | 81% | 0.812 | S | S | * | * | 46.4 | 104.4 | 122 | 66.5 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 188 | S | 36.9 | Very low | 42.3 | Very low | 131 Ų | 131 | 148.3 Ų | 148.3 | 92% | 0.916 | 82% | 0.817 | S | S | * | * | -152.5 | 140 | 122.5 | -170.8 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 189 | S | 42.6 | Very low | 42.7 | Very low | 110 Ų | 110 | 142.8 Ų | 142.8 | 77% | 0.769 | 81% | 0.811 | S | S | * | * | trans | -110.9 | 119.3 | -174.8 | 167.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 190 | F | 40.9 | Very low | 43.1 | Very low | 196 Ų | 196 | 141.7 Ų | 141.7 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | trans | -154.4 | 147.6 | 149.8 | -155.8 | -111.5 | 0 | 0 | 0 | 112.5 | ||||
| 191 | D | 44.5 | Very low | 44.1 | Very low | 121 Ų | 121 | 137.9 Ų | 137.9 | 65% | 0.647 | 80% | 0.801 | S | S | * | * | trans | -57.5 | 140.7 | -153 | -69.6 | -79 | 0 | 0 | 0 | 120.7 | ||||
| 192 | T | 47.3 | Very low | 44.5 | Very low | 121 Ų | 121 | 136 Ų | 136 | 74% | 0.742 | 80% | 0.802 | S | S | * | * | trans | -33.8 | 125.1 | 146.4 | -59 | 0 | 0 | 0 | 0 | 115 | ||||
| 193 | Y | 39 | Very low | 44.7 | Very low | 223 Ų | 223 | 136 Ų | 136 | 88% | 0.875 | 80% | 0.804 | S | S | * | * | trans | -147.4 | 137.2 | 139.6 | -105.6 | -83.2 | 0 | 0 | 0 | 110.7 | ||||
| 194 | P | 53.1 | Low | 44.6 | Very low | 94 Ų | 94 | 135.1 Ų | 135.1 | 61% | 0.61 | 80% | 0.801 | S | S | * | * | trans | -82.6 | 155.3 | 176 | 33.4 | -34.8 | 0 | 0 | 0 | 112.2 | ||||
| 195 | Y | 50.8 | Low | 45.1 | Very low | 239 Ų | 239 | 135.5 Ų | 135.5 | 94% | 0.937 | 80% | 0.795 | S | S | * | * | trans | 78 | 86.8 | -177.3 | -60.3 | -85 | 0 | 0 | 0 | 116.4 | ||||
| 196 | G | 41.8 | Very low | 45.6 | Very low | 78 Ų | 78 | 139.2 Ų | 139.2 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | trans | -157.6 | 131.5 | 162.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 197 | L | 49.9 | Very low | 45.8 | Very low | 164 Ų | 164 | 142 Ų | 142 | 86% | 0.859 | 80% | 0.801 | S | S | * | * | trans | -76.6 | 148.7 | 174 | -73.7 | 158.5 | 0 | 0 | 0 | 109.8 | T199 | L197-T199 PolarHBondContact O-N 3.26Š| ||
| 198 | P | 46.4 | Very low | 46 | Very low | 126 Ų | 126 | 140.6 Ų | 140.6 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | -71.2 | 101 | 173.9 | 29.1 | -33.2 | 0 | 0 | 0 | 110.5 | ||||
| 199 | T | 50.6 | Low | 46.1 | Very low | 128 Ų | 128 | 143.6 Ų | 143.6 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 129.9 | 161.6 | 7.8 | 0 | 0 | 0 | 0 | 109.1 | L197 | L197-T199 PolarHBondContact O-N 3.26Š|
| 200 | P | 49.7 | Very low | 46 | Very low | 109 Ų | 109 | 144.6 Ų | 144.6 | 71% | 0.708 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 139.8 | 167.9 | -16.8 | 30.6 | 0 | 0 | 0 | 109.6 | E202 | P200-E202 PolarHBondContact O-N 3.31Š|
| 201 | P | 57.8 | Low | 45.7 | Very low | 120 Ų | 120 | 142.9 Ų | 142.9 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 130.6 | 174.1 | 26.9 | -33.1 | 0 | 0 | 0 | 110.2 | M203 | P201-M203 PolarHBondContact O-N 3.12Š|
| 202 | E | 43.3 | Very low | 45.7 | Very low | 192 Ų | 192 | 143.9 Ų | 143.9 | 90% | 0.897 | 79% | 0.79 | S | S | * | * | trans | -68.9 | 115.4 | 169.5 | -67.4 | -157 | 133.3 | 0 | 0 | 109.8 | P200 S204 | P200-E202 PolarHBondContact O-N 3.31Å; E202-S204 PolarHBondContact O-N 3.36Å; E202-S204 VanDerWaalsContact O-N 3.12Å | ||
| 203 | M | 41.9 | Very low | 45.3 | Very low | 179 Ų | 179 | 146.2 Ų | 146.2 | 88% | 0.882 | 79% | 0.793 | S | S | * | * | trans | -78.2 | 88.1 | 165.7 | -74.6 | -75.4 | -73.8 | 0 | 0 | 108.4 | P201 P205 | P201-M203 PolarHBondContact O-N 3.12Å; M203-P205 WeakPolarHBondContact O-CD 3.35Å | ||
| 204 | S | 51.1 | Low | 45.2 | Very low | 103 Ų | 103 | 144.1 Ų | 144.1 | 72% | 0.72 | 79% | 0.793 | S | S | * | * | trans | -69.5 | 122.4 | 170.5 | -171.8 | 0 | 0 | 0 | 0 | 110 | E202 L206 | E202-S204 PolarHBondContact O-N 3.36Å; E202-S204 VanDerWaalsContact O-N 3.12Å; S204-L206 PolarHBondContact O-N 3.42Å | ||
| 205 | P | 50.5 | Low | 44.9 | Very low | 117 Ų | 117 | 144.4 Ų | 144.4 | 76% | 0.76 | 80% | 0.795 | S | S | * | * | trans | -98.1 | 51.7 | -168.1 | 39.3 | -36.8 | 0 | 0 | 0 | 113.1 | M203 | M203-P205 WeakPolarHBondContact O-CD 3.35Š| ||
| 206 | L | 44.4 | Very low | 45.4 | Very low | 154 Ų | 154 | 138.4 Ų | 138.4 | 81% | 0.806 | 79% | 0.785 | S | S | * | * | trans | -154.3 | 82.7 | 171 | -88.9 | 116.7 | 0 | 0 | 0 | 110.8 | S204 | S204-L206 PolarHBondContact O-N 3.42Š| ||
| 207 | D | 41.6 | Very low | 45 | Very low | 169 Ų | 169 | 139.9 Ų | 139.9 | 90% | 0.904 | 78% | 0.779 | S | S | * | * | trans | -171.2 | 156.1 | 138.1 | -127.2 | -53.3 | 0 | 0 | 0 | 110.9 | ||||
| 208 | A | 42.1 | Very low | 44.4 | Very low | 79 Ų | 79 | 141.5 Ų | 141.5 | 65% | 0.653 | 78% | 0.775 | S | S | * | * | trans | 95.2 | 74.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 209 | M | 38.3 | Very low | 44 | Very low | 194 Ų | 194 | 145.2 Ų | 145.2 | 96% | 0.956 | 77% | 0.774 | S | S | * | * | trans | -139.6 | 104.1 | 147.6 | -76.4 | -72.4 | 130.4 | 0 | 0 | 108.5 | ||||
| 210 | D | 40 | Very low | 43.2 | Very low | 131 Ų | 131 | 143.8 Ų | 143.8 | 70% | 0.701 | 77% | 0.769 | S | S | * | * | trans | -134.5 | 115.5 | 163.5 | 173.4 | 49.4 | 0 | 0 | 0 | 109.5 | ||||
| 211 | H | 36.5 | Very low | 42.4 | Very low | 160 Ų | 160 | 143.9 Ų | 143.9 | 74% | 0.741 | 77% | 0.768 | S | S | * | * | trans | -176.1 | 109.3 | 137.6 | -109 | 38.3 | 0 | 0 | 0 | 111 | ||||
| 212 | E | 44.1 | Very low | 41.4 | Very low | 142 Ų | 142 | 143.7 Ų | 143.7 | 66% | 0.664 | 77% | 0.769 | S | S | * | * | 53.8 | 144.4 | 129.8 | -63.3 | -65.7 | 106.4 | 0 | 0 | 122 | |||||
| 213 | H | 37.5 | Very low | 40.8 | Very low | 170 Ų | 170 | 137.6 Ų | 137.6 | 79% | 0.787 | 76% | 0.758 | S | S | * | * | trans | 95.3 | 80.6 | 166.6 | -52.6 | 81.7 | 0 | 0 | 0 | 119.5 | ||||
| 214 | M | 38.9 | Very low | 40.6 | Very low | 179 Ų | 179 | 134.4 Ų | 134.4 | 88% | 0.882 | 75% | 0.753 | S | S | * | * | 176.9 | 156.4 | 118.7 | -95.5 | -88.7 | 108.7 | 0 | 0 | 111.9 | |||||
| 215 | P | 46.7 | Very low | 39.8 | Very low | 100 Ų | 100 | 134.7 Ų | 134.7 | 65% | 0.649 | 76% | 0.755 | S | S | * | * | trans | -91.3 | 165.6 | -160.9 | 37.5 | -36.2 | 0 | 0 | 0 | 114.3 | ||||
| 216 | P | 61.3 | Low | 39 | Very low | 113 Ų | 113 | 133.8 Ų | 133.8 | 73% | 0.734 | 75% | 0.752 | S | S | * | * | trans | -89.2 | 161 | -172.9 | 36.4 | -36.4 | 0 | 0 | 0 | 112.6 | ||||
| 217 | T | 33.4 | Very low | 38.8 | Very low | 109 Ų | 109 | 133.1 Ų | 133.1 | 67% | 0.669 | 75% | 0.754 | S | S | * | * | trans | -167.2 | 139 | 141.2 | 8.3 | 0 | 0 | 0 | 0 | 117 | ||||
| 218 | Y | 37.3 | Very low | 38.6 | Very low | 197 Ų | 197 | 130.7 Ų | 130.7 | 77% | 0.773 | 75% | 0.75 | S | S | * | * | trans | 77.1 | 97.4 | 153.1 | -51 | -48 | 0 | 0 | 0 | 123.4 | ||||
| 219 | Y | 37 | Very low | 38.1 | Very low | 204 Ų | 204 | 133.1 Ų | 133.1 | 80% | 0.8 | 76% | 0.761 | S | S | * | * | trans | 57.2 | 118.4 | 130.5 | -70.2 | -70.5 | 0 | 0 | 0 | 123.4 | ||||
| 220 | S | 32.8 | Very low | 38.1 | Very low | 98 Ų | 98 | 129 Ų | 129 | 69% | 0.685 | 75% | 0.751 | S | S | * | * | 41.9 | 151.4 | 102.7 | -62.6 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 221 | T | 32.8 | Very low | 37.8 | Very low | 111 Ų | 111 | 127.5 Ų | 127.5 | 68% | 0.681 | 75% | 0.751 | S | S | * | * | cis | -174.2 | 147.4 | -4.4 | -95.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 222 | S | 36.9 | Very low | 37.8 | Very low | 116 Ų | 116 | 126 Ų | 126 | 81% | 0.811 | 75% | 0.753 | S | S | * | * | trans | 56.3 | 150.3 | 157.7 | 72.9 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 223 | G | 31.8 | Very low | 37.3 | Very low | 64 Ų | 64 | 125.2 Ų | 125.2 | 66% | 0.66 | 76% | 0.758 | S | S | * | * | 131.7 | 80.4 | 116 | 0 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 224 | S | 36.7 | Very low | 36.9 | Very low | 112 Ų | 112 | 122.4 Ų | 122.4 | 78% | 0.783 | 76% | 0.757 | S | S | * | * | trans | 61 | 126.8 | 135.2 | -56.6 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 225 | S | 34.6 | Very low | 36.7 | Very low | 109 Ų | 109 | 119.5 Ų | 119.5 | 76% | 0.762 | 75% | 0.753 | S | S | * | * | trans | 67.2 | 128.4 | 134.4 | 69.1 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 226 | S | 34.9 | Very low | 37 | Very low | 99 Ų | 99 | 120.8 Ų | 120.8 | 69% | 0.692 | 76% | 0.761 | S | S | * | * | 169.5 | 164.9 | 63.4 | 49.3 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 227 | V | 39.6 | Very low | 35.6 | Very low | 140 Ų | 140 | 121.9 Ų | 121.9 | 85% | 0.848 | 76% | 0.761 | S | S | * | * | trans | 61.6 | 137.6 | 157.7 | -63.6 | 0 | 0 | 0 | 0 | 123 | ||||
| 228 | S | 38.4 | Very low | 35.6 | Very low | 117 Ų | 117 | 123.7 Ų | 123.7 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | trans | -85.9 | 159.3 | 176.2 | -16.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 229 | C | 31.3 | Very low | 35.6 | Very low | 130 Ų | 130 | 120.8 Ų | 120.8 | 88% | 0.878 | 76% | 0.755 | S | S | * | * | -171.2 | 166.1 | 123.6 | 59.3 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 230 | S | 37.1 | Very low | 35.7 | Very low | 109 Ų | 109 | 117.9 Ų | 117.9 | 76% | 0.762 | 75% | 0.749 | S | S | * | * | trans | -104.2 | 165.2 | -171 | -50.3 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 231 | S | 34.8 | Very low | 35.8 | Very low | 99 Ų | 99 | 120.9 Ų | 120.9 | 69% | 0.692 | 75% | 0.752 | S | S | * | * | trans | 84.9 | 109.2 | 144.8 | -57.1 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 232 | T | 36 | Very low | 35.8 | Very low | 128 Ų | 128 | 120 Ų | 120 | 79% | 0.785 | 75% | 0.751 | S | S | * | * | 73.9 | 144.7 | 126.7 | 62.9 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 233 | V | 33.1 | Very low | 35.7 | Very low | 125 Ų | 125 | 122.6 Ų | 122.6 | 76% | 0.758 | 75% | 0.75 | S | S | * | * | trans | 98.9 | 112.1 | 152.7 | -168.8 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 234 | S | 30.5 | Very low | 35.8 | Very low | 112 Ų | 112 | 125.7 Ų | 125.7 | 78% | 0.783 | 76% | 0.756 | S | S | * | * | trans | 71.9 | 131.1 | 146.4 | -63.8 | 0 | 0 | 0 | 0 | 124 | ||||
| 235 | C | 32.9 | Very low | 35.8 | Very low | 118 Ų | 118 | 128.3 Ų | 128.3 | 80% | 0.797 | 76% | 0.756 | S | S | * | * | trans | -71.6 | 164.4 | 151.3 | -45.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 236 | P | 53 | Low | 35.8 | Very low | 126 Ų | 126 | 131 Ų | 131 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | -130.8 | -172.7 | 73.6 | 10.5 | 14.2 | 0 | 0 | 0 | 111.3 | |||||
| 237 | D | 32.5 | Very low | 35.7 | Very low | 136 Ų | 136 | 130 Ų | 130 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | cis | 167.3 | 160.7 | -25.1 | -172.3 | -165.5 | 0 | 0 | 0 | 105.3 | ||||
| 238 | E | 33 | Very low | 35.5 | Very low | 147 Ų | 147 | 129 Ų | 129 | 69% | 0.687 | 76% | 0.763 | S | S | * | * | trans | 62.9 | 143.4 | 169 | -70.6 | -169.4 | 98.6 | 0 | 0 | 119.2 | ||||
| 239 | H | 38.7 | Very low | 36.5 | Very low | 136 Ų | 136 | 129.2 Ų | 129.2 | 63% | 0.63 | 76% | 0.761 | S | S | * | * | cis | -166.6 | 157.6 | -9.9 | -125.9 | -12.1 | 0 | 0 | 0 | 113.6 | ||||
| 240 | H | 38.6 | Very low | 37.8 | Very low | 143 Ų | 143 | 128.4 Ų | 128.4 | 66% | 0.662 | 75% | 0.754 | S | S | * | * | trans | 63.7 | 141 | 159.8 | -69.3 | 61.1 | 0 | 0 | 0 | 117.8 | ||||
| 241 | Q | 35 | Very low | 38.7 | Very low | 162 Ų | 162 | 127.2 Ų | 127.2 | 76% | 0.757 | 74% | 0.744 | S | S | * | * | cis | -156.5 | 178.1 | 8.3 | -133.2 | -171 | 101.9 | 0 | 0 | 108 | ||||
| 242 | S | 31.6 | Very low | 38.6 | Very low | 93 Ų | 93 | 132.6 Ų | 132.6 | 65% | 0.65 | 75% | 0.751 | S | S | * | * | cis | -158.1 | -179.2 | 9.9 | 64.9 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 243 | Q | 35.8 | Very low | 38.5 | Very low | 169 Ų | 169 | 133.7 Ų | 133.7 | 79% | 0.79 | 75% | 0.747 | S | S | * | * | trans | -15.4 | 142.8 | 158.9 | -76 | 174.7 | 26 | 0 | 0 | 119.4 | ||||
| 244 | T | 34.3 | Very low | 38.8 | Very low | 129 Ų | 129 | 133.9 Ų | 133.9 | 79% | 0.791 | 75% | 0.748 | S | S | * | * | cis | -134.3 | -166.4 | 16.3 | 60.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 245 | H | 35.3 | Very low | 38.9 | Very low | 168 Ų | 168 | 135.1 Ų | 135.1 | 78% | 0.778 | 75% | 0.746 | S | S | * | * | cis | -153.4 | 171.2 | 13.7 | 147.1 | -72.8 | 0 | 0 | 0 | 111.7 | ||||
| 246 | M | 36.3 | Very low | 38.9 | Very low | 164 Ų | 164 | 138.8 Ų | 138.8 | 81% | 0.808 | 75% | 0.745 | S | S | * | * | trans | -52.1 | 146 | -177.8 | -57.4 | -61.9 | -160.3 | 0 | 0 | 117.7 | ||||
| 247 | G | 31.2 | Very low | 38.1 | Very low | 78 Ų | 78 | 139.5 Ų | 139.5 | 80% | 0.804 | 75% | 0.747 | S | S | * | * | trans | 152.4 | 59.4 | 158.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 248 | S | 37.2 | Very low | 38.1 | Very low | 121 Ų | 121 | 140.1 Ų | 140.1 | 85% | 0.846 | 75% | 0.745 | S | S | * | * | trans | -93.9 | 167.7 | -177.2 | -68.5 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 249 | P | 59.4 | Low | 38 | Very low | 120 Ų | 120 | 139.4 Ų | 139.4 | 78% | 0.779 | 75% | 0.751 | S | S | * | * | trans | -113.3 | -124.3 | -149.1 | 32.2 | -11.8 | 0 | 0 | 0 | 112.2 | ||||
| 250 | P | 58.3 | Low | 37.7 | Very low | 113 Ų | 113 | 140.6 Ų | 140.6 | 73% | 0.734 | 76% | 0.757 | S | S | * | * | cis | -129.7 | -117.4 | -28.8 | 28 | -2.2 | 0 | 0 | 0 | 115.8 | ||||
| 251 | P | 55.6 | Low | 37.4 | Very low | 85 Ų | 85 | 139.8 Ų | 139.8 | 55% | 0.552 | 76% | 0.756 | S | S | * | * | -133.9 | -175.5 | -96.8 | 38.1 | -18.8 | 0 | 0 | 0 | 119.6 | |||||
| 252 | Y | 32.3 | Very low | 37.1 | Very low | 212 Ų | 212 | 140.2 Ų | 140.2 | 83% | 0.831 | 76% | 0.758 | S | S | * | * | trans | 68.7 | 134.7 | 153.8 | -55.5 | -52.7 | 0 | 0 | 0 | 121.7 | ||||
| 253 | H | 34.3 | Very low | 37.1 | Very low | 151 Ų | 151 | 141.7 Ų | 141.7 | 70% | 0.699 | 77% | 0.767 | S | S | * | * | -158.8 | 148.8 | 102.2 | -138.8 | -108 | 0 | 0 | 0 | 113.6 | D255 | H253-D255 IonicContact CE1-OD1 3.53Å; H253-D255 IonicContact CE1-OD2 3.59Å; H253-D255 PolarHBondContact CE1-OD2 3.3Å; H253-D255 VanDerWaalsContact CE1-OD2 3.29Å; H253-D255 IonicContact CG-OD2 2.74Å; H253-D255 IonicContact ND1-OD1 2.76Å; H253-D255 IonicContact ND1-OD2 3.73Å; H253-D255 PolarHBondContact ND1-OD2 3.02Å | |||
| 254 | T | 38.8 | Very low | 36.8 | Very low | 128 Ų | 128 | 137.2 Ų | 137.2 | 79% | 0.785 | 77% | 0.766 | S | S | * | * | trans | -123 | 130.5 | 166.9 | 36.9 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 255 | D | 32 | Very low | 36.6 | Very low | 139 Ų | 139 | 137 Ų | 137 | 74% | 0.743 | 77% | 0.77 | S | S | * | * | trans | -131 | 135.6 | 169.7 | -82.6 | -59.4 | 0 | 0 | 0 | 112.5 | H253 | H253-D255 IonicContact CE1-OD1 3.53Å; H253-D255 IonicContact CE1-OD2 3.59Å; H253-D255 PolarHBondContact CE1-OD2 3.3Å; H253-D255 VanDerWaalsContact CE1-OD2 3.29Å; H253-D255 IonicContact CG-OD2 2.74Å; H253-D255 IonicContact ND1-OD1 2.76Å; H253-D255 IonicContact ND1-OD2 3.73Å; H253-D255 PolarHBondContact ND1-OD2 3.02Å | ||
| 256 | Y | 33.1 | Very low | 36.6 | Very low | 195 Ų | 195 | 133.9 Ų | 133.9 | 77% | 0.765 | 77% | 0.773 | S | S | * | * | trans | -123.9 | 119 | 176.1 | -178.9 | -80.3 | 0 | 0 | 0 | 106.3 | Q258 | Y256-Q258 HydrophobicContact CE1-CB 4.36Š| ||
| 257 | T | 36.2 | Very low | 36.6 | Very low | 141 Ų | 141 | 134.5 Ų | 134.5 | 87% | 0.865 | 77% | 0.773 | S | S | * | * | trans | -136.6 | 146.2 | 169 | 48.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 258 | Q | 32.3 | Very low | 37 | Very low | 148 Ų | 148 | 139.2 Ų | 139.2 | 69% | 0.692 | 78% | 0.779 | S | S | * | * | trans | -131.7 | 131.5 | -164.6 | 169.8 | -171.8 | 13.6 | 0 | 0 | 108.6 | Y256 | Y256-Q258 HydrophobicContact CE1-CB 4.36Š| ||
| 259 | T | 31.3 | Very low | 36.8 | Very low | 132 Ų | 132 | 137.1 Ų | 137.1 | 81% | 0.81 | 78% | 0.776 | S | S | * | * | trans | 163.4 | 121.5 | 155 | 28.1 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 260 | Q | 32.7 | Very low | 35.6 | Very low | 162 Ų | 162 | 139.8 Ų | 139.8 | 76% | 0.757 | 78% | 0.778 | S | S | * | * | 106.6 | 133.4 | 55.3 | -93.8 | -69.3 | 11.9 | 0 | 0 | 112.3 | |||||
| 261 | I | 32.8 | Very low | 34.7 | Very low | 125 Ų | 125 | 141.7 Ų | 141.7 | 64% | 0.641 | 78% | 0.78 | S | S | * | * | trans | 56.8 | 108.7 | 165.9 | -2.8 | 179.4 | 0 | 0 | 0 | 121.3 | ||||
| 262 | H | 29 | Very low | 34.7 | Very low | 172 Ų | 172 | 142.1 Ų | 142.1 | 80% | 0.796 | 78% | 0.783 | S | S | * | * | 176.4 | 157.8 | 99 | -94.5 | 96 | 0 | 0 | 0 | 114.4 | |||||
| 263 | C | 31.5 | Very low | 34.9 | Very low | 124 Ų | 124 | 141.1 Ų | 141.1 | 84% | 0.838 | 79% | 0.786 | S | S | * | * | trans | -93.1 | 164.6 | 178.9 | 51.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 264 | G | 29.6 | Very low | 35.4 | Very low | 74 Ų | 74 | 140.6 Ų | 140.6 | 76% | 0.763 | 79% | 0.787 | S | S | * | * | trans | 153 | 105.3 | 160.5 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 265 | S | 30 | Very low | 36.2 | Very low | 126 Ų | 126 | 139 Ų | 139 | 88% | 0.881 | 78% | 0.778 | S | S | * | * | trans | 19.9 | 134.4 | 154.3 | -66.1 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 266 | A | 35.1 | Very low | 36.6 | Very low | 102 Ų | 102 | 140.6 Ų | 140.6 | 84% | 0.843 | 78% | 0.781 | S | S | * | * | trans | -67.2 | 152.7 | 161.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 267 | H | 36.4 | Very low | 36.7 | Very low | 176 Ų | 176 | 138 Ų | 138 | 82% | 0.815 | 79% | 0.787 | S | S | * | * | trans | -96.8 | 140.4 | 173.1 | 65.5 | -79 | 0 | 0 | 0 | 110.2 | ||||
| 268 | L | 39.3 | Very low | 36.7 | Very low | 178 Ų | 178 | 135.2 Ų | 135.2 | 93% | 0.932 | 79% | 0.786 | S | S | * | * | trans | -144.4 | 112.6 | 159 | -161.1 | 71.1 | 0 | 0 | 0 | 108.9 | ||||
| 269 | G | 32.7 | Very low | 36.7 | Very low | 76 Ų | 76 | 132 Ų | 132 | 78% | 0.784 | 79% | 0.792 | S | S | * | * | trans | -85.4 | 142.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 270 | H | 35.3 | Very low | 37 | Very low | 177 Ų | 177 | 131.6 Ų | 131.6 | 82% | 0.819 | 80% | 0.795 | S | S | * | * | trans | -105.7 | 151.9 | 179.1 | -179.5 | 67.2 | 0 | 0 | 0 | 110.7 | ||||
| 271 | I | 39.3 | Very low | 37.1 | Very low | 152 Ų | 152 | 128.1 Ų | 128.1 | 78% | 0.779 | 80% | 0.802 | S | S | * | * | trans | -109.8 | 137.6 | 172.2 | -71.5 | 179.3 | 0 | 0 | 0 | 108.4 | ||||
| 272 | P | 53.9 | Low | 37.2 | Very low | 94 Ų | 94 | 125.4 Ų | 125.4 | 61% | 0.61 | 81% | 0.805 | S | S | * | * | trans | -101.4 | 163.9 | -156.9 | 38.8 | -36.6 | 0 | 0 | 0 | 115.5 | ||||
| 273 | H | 37.8 | Very low | 37.6 | Very low | 192 Ų | 192 | 125.9 Ų | 125.9 | 89% | 0.889 | 81% | 0.813 | S | S | * | * | trans | -141.6 | 156 | 154.1 | -127.3 | -89.6 | 0 | 0 | 0 | 111.3 | ||||
| 274 | I | 44.6 | Very low | 38.1 | Very low | 139 Ų | 139 | 127.6 Ų | 127.6 | 71% | 0.713 | 81% | 0.812 | S | S | * | * | trans | -144.1 | 153 | -159.5 | -89.3 | 172 | 0 | 0 | 0 | 107.5 | ||||
| 275 | P | 55.8 | Low | 39 | Very low | 94 Ų | 94 | 129.8 Ų | 129.8 | 61% | 0.61 | 81% | 0.812 | S | S | * | * | cis | -144.8 | -179.9 | -23.3 | 41 | -21.3 | 0 | 0 | 0 | 116.8 | ||||
| 276 | Q | 39.3 | Very low | 39.4 | Very low | 173 Ų | 173 | 127.1 Ų | 127.1 | 81% | 0.808 | 81% | 0.805 | S | S | * | * | trans | 57.4 | 131.1 | 142.5 | -77.5 | 175.8 | 93 | 0 | 0 | 123.8 | ||||
| 277 | T | 36.8 | Very low | 40.6 | Very low | 142 Ų | 142 | 128.2 Ų | 128.2 | 87% | 0.871 | 80% | 0.804 | S | S | * | * | -176.4 | 140.8 | 104.1 | 29 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 278 | G | 34.7 | Very low | 41.3 | Very low | 82 Ų | 82 | 126 Ų | 126 | 85% | 0.845 | 81% | 0.805 | S | S | * | * | trans | 68.6 | 134 | 168.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 279 | G | 34.1 | Very low | 41.3 | Very low | 81 Ų | 81 | 125 Ų | 125 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | cis | 89.6 | 118.5 | 26.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 280 | S | 37.3 | Very low | 41.7 | Very low | 123 Ų | 123 | 126.1 Ų | 126.1 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | cis | -168.4 | 144 | 13.2 | 52.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 281 | G | 34.2 | Very low | 42.1 | Very low | 88 Ų | 88 | 129 Ų | 129 | 91% | 0.907 | 80% | 0.801 | S | S | * | * | trans | 72.3 | 148.1 | 160.5 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 282 | G | 34.2 | Very low | 42 | Very low | 69 Ų | 69 | 132.2 Ų | 132.2 | 71% | 0.711 | 81% | 0.805 | S | S | * | * | cis | 170.4 | 163.5 | -6 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 283 | L | 38.5 | Very low | 41 | Very low | 181 Ų | 181 | 133.7 Ų | 133.7 | 95% | 0.948 | 82% | 0.817 | S | S | * | * | trans | 84.4 | 115.8 | 169.2 | -50.2 | 179.3 | 0 | 0 | 0 | 120.1 | ||||
| 284 | I | 41.6 | Very low | 40.7 | Very low | 161 Ų | 161 | 129.1 Ų | 129.1 | 83% | 0.826 | 81% | 0.807 | S | S | * | * | trans | -96.2 | 160.5 | 157.3 | -80.9 | 171.4 | 0 | 0 | 0 | 106 | ||||
| 285 | P | 48.3 | Very low | 40.3 | Very low | 119 Ų | 119 | 128.1 Ų | 128.1 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | cis | -141.3 | 170.8 | 27 | 24.9 | 1 | 0 | 0 | 0 | 119.3 | ||||
| 286 | G | 38.5 | Very low | 39.3 | Very low | 71 Ų | 71 | 129 Ų | 129 | 73% | 0.732 | 82% | 0.82 | S | S | * | * | 90.5 | 143.1 | 121.8 | 0 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 287 | P | 59.8 | Low | 39.4 | Very low | 125 Ų | 125 | 130 Ų | 130 | 81% | 0.812 | 82% | 0.823 | S | S | * | * | trans | -98.7 | 174.7 | -176.6 | 40.5 | -36.8 | 0 | 0 | 0 | 114.1 | ||||
| 288 | P | 52.2 | Low | 39.9 | Very low | 129 Ų | 129 | 128.8 Ų | 128.8 | 84% | 0.838 | 82% | 0.817 | S | S | * | * | -140.2 | 175.9 | 127.1 | 37.9 | -24.8 | 0 | 0 | 0 | 115.7 | |||||
| 289 | L | 38.8 | Very low | 40.4 | Very low | 158 Ų | 158 | 130.5 Ų | 130.5 | 83% | 0.827 | 81% | 0.813 | S | S | * | * | trans | -78.3 | 157.6 | -170.7 | -78.9 | 98.9 | 0 | 0 | 0 | 116.8 | ||||
| 290 | S | 41.8 | Very low | 40.6 | Very low | 98 Ų | 98 | 135 Ų | 135 | 69% | 0.685 | 82% | 0.816 | S | S | * | * | trans | 43.3 | 123.7 | 137.4 | -55.4 | 0 | 0 | 0 | 0 | 122 | ||||
| 291 | Y | 41.8 | Very low | 40.6 | Very low | 239 Ų | 239 | 136.7 Ų | 136.7 | 94% | 0.937 | 81% | 0.81 | S | S | * | * | trans | -142.7 | 147.6 | 142.7 | -100.5 | -81.2 | 0 | 0 | 0 | 112.1 | ||||
| 292 | Y | 37.9 | Very low | 40.8 | Very low | 219 Ų | 219 | 141 Ų | 141 | 86% | 0.859 | 81% | 0.806 | S | S | * | * | trans | -63.9 | 154.3 | 176.7 | -95.3 | -113.2 | 0 | 0 | 0 | 113 | ||||
| 293 | S | 32.6 | Very low | 40.6 | Very low | 124 Ų | 124 | 141 Ų | 141 | 87% | 0.867 | 81% | 0.806 | S | S | * | * | trans | -149.5 | 124.8 | 145.2 | -163.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 294 | S | 33 | Very low | 40.5 | Very low | 97 Ų | 97 | 140.3 Ų | 140.3 | 68% | 0.678 | 80% | 0.798 | S | S | * | * | trans | -95.8 | 146.2 | 178 | -52 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 295 | S | 36 | Very low | 40.3 | Very low | 117 Ų | 117 | 140.8 Ų | 140.8 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | -132.2 | 109.5 | 170.6 | 47.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 296 | S | 34.6 | Very low | 39.8 | Very low | 113 Ų | 113 | 143.6 Ų | 143.6 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | trans | -90.4 | 149.6 | -179.2 | -51.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 297 | F | 39.8 | Very low | 39.6 | Very low | 195 Ų | 195 | 143.8 Ų | 143.8 | 86% | 0.855 | 80% | 0.801 | S | S | * | * | trans | -118.3 | 144.9 | 162.6 | -79 | -83.4 | 0 | 0 | 0 | 110.4 | ||||
| 298 | P | 48.9 | Very low | 38.7 | Very low | 116 Ų | 116 | 146.9 Ų | 146.9 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | trans | -100.2 | 154.4 | -173 | 37.9 | -34.6 | 0 | 0 | 0 | 114 | ||||
| 299 | P | 45.2 | Very low | 38.5 | Very low | 118 Ų | 118 | 148.8 Ų | 148.8 | 77% | 0.766 | 81% | 0.806 | S | S | * | * | trans | -105.6 | 149.1 | 158.9 | 35.2 | -27.3 | 0 | 0 | 0 | 112.7 | ||||
| 300 | I | 38.1 | Very low | 38.5 | Very low | 174 Ų | 174 | 144.9 Ų | 144.9 | 89% | 0.892 | 81% | 0.805 | S | S | * | * | trans | -84.6 | 152.3 | 177.8 | -70 | 177.7 | 0 | 0 | 0 | 110.9 | ||||
| 301 | H | 36.4 | Very low | 39 | Very low | 159 Ų | 159 | 149.4 Ų | 149.4 | 74% | 0.736 | 82% | 0.815 | S | S | * | * | trans | -121.8 | 164.4 | -170.8 | -129.2 | -92.5 | 0 | 0 | 0 | 114.2 | ||||
| 302 | H | 38.9 | Very low | 38.9 | Very low | 179 Ų | 179 | 146 Ų | 146 | 83% | 0.829 | 81% | 0.812 | S | S | * | * | trans | 92.3 | 134 | 169.8 | -59.5 | -65.1 | 0 | 0 | 0 | 118.6 | ||||
| 303 | G | 30.4 | Very low | 39.4 | Very low | 68 Ų | 68 | 140.8 Ų | 140.8 | 70% | 0.701 | 81% | 0.808 | S | S | * | * | cis | -178.5 | 165.6 | -5.9 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 304 | H | 36 | Very low | 40.7 | Very low | 167 Ų | 167 | 140.6 Ų | 140.6 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | trans | 40.3 | 128.4 | 152.6 | -103 | 65.2 | 0 | 0 | 0 | 121.8 | ||||
| 305 | H | 37.1 | Very low | 41.8 | Very low | 171 Ų | 171 | 141.3 Ų | 141.3 | 79% | 0.792 | 81% | 0.806 | S | S | * | * | -171.1 | 111 | 115.3 | -93.4 | -66.9 | 0 | 0 | 0 | 113.6 | |||||
| 306 | Q | 38.8 | Very low | 42.7 | Very low | 179 Ų | 179 | 141.2 Ų | 141.2 | 84% | 0.836 | 80% | 0.802 | S | S | * | * | trans | 32.9 | 138.6 | 148.2 | -70.7 | 174.9 | -60.1 | 0 | 0 | 125.7 | ||||
| 307 | G | 34.1 | Very low | 43.4 | Very low | 75 Ų | 75 | 144.8 Ų | 144.8 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | trans | 105.4 | 136.4 | 155.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 308 | H | 41.3 | Very low | 43.7 | Very low | 190 Ų | 190 | 141.8 Ų | 141.8 | 88% | 0.88 | 80% | 0.804 | S | S | * | * | cis | -149 | 179.9 | 5.4 | -146 | 56.6 | 0 | 0 | 0 | 110.1 | ||||
| 309 | L | 46.5 | Very low | 43.4 | Very low | 168 Ų | 168 | 145.4 Ų | 145.4 | 88% | 0.88 | 81% | 0.811 | S | S | * | * | trans | -68.9 | 145.4 | -166.6 | -67.7 | 155.8 | 0 | 0 | 0 | 116 | ||||
| 310 | G | 40 | Very low | 43.6 | Very low | 77 Ų | 77 | 143.3 Ų | 143.3 | 79% | 0.794 | 81% | 0.811 | S | S | * | * | trans | 163.9 | 76.6 | 166.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 311 | Q | 52.5 | Low | 43.9 | Very low | 192 Ų | 192 | 142.7 Ų | 142.7 | 90% | 0.897 | 80% | 0.804 | S | S | * | * | trans | -78.9 | 130.5 | 163.1 | -79.2 | -175.1 | -14.9 | 0 | 0 | 110.1 | ||||
| 312 | L | 39.1 | Very low | 44.1 | Very low | 167 Ų | 167 | 142.1 Ų | 142.1 | 87% | 0.874 | 81% | 0.806 | S | S | * | * | trans | -160.1 | 121.1 | 137.2 | -80.4 | -164.5 | 0 | 0 | 0 | 110.9 | ||||
| 313 | S | 47.4 | Very low | 44.4 | Very low | 111 Ų | 111 | 142.2 Ų | 142.2 | 78% | 0.776 | 81% | 0.806 | S | S | * | * | trans | 55.3 | 130.3 | 158.4 | -55.7 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 314 | P | 60.9 | Low | 45.2 | Very low | 119 Ų | 119 | 144.3 Ų | 144.3 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 157.2 | 163.7 | 33.9 | -34.2 | 0 | 0 | 0 | 111.9 | ||
| 315 | P | 56.2 | Low | 45.9 | Very low | 112 Ų | 112 | 142.4 Ų | 142.4 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 148.5 | 176.8 | 30.6 | -35 | 0 | 0 | 0 | 111.9 | ||
| 316 | P | 54.5 | Low | 46.4 | Very low | 116 Ų | 116 | 141.6 Ų | 141.6 | 75% | 0.753 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 136.2 | 176.6 | 29.4 | -34.1 | 0 | 0 | 0 | 111.9 | T318 | P316-T318 PolarHBondContact O-N 3.33Š|
| 317 | E | 48.4 | Very low | 46.8 | Very low | 188 Ų | 188 | 141.4 Ų | 141.4 | 88% | 0.879 | 80% | 0.801 | S | S | * | * | trans | -76.7 | 105.3 | 174.6 | -64 | 166.3 | 118.7 | 0 | 0 | 110.3 | ||||
| 318 | T | 46.2 | Very low | 47.3 | Very low | 131 Ų | 131 | 143.7 Ų | 143.7 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | trans | -101.4 | 80.9 | 167.7 | 53.2 | 0 | 0 | 0 | 0 | 110.8 | P316 | P316-T318 PolarHBondContact O-N 3.33Š| ||
| 319 | Q | 43.9 | Very low | 47.5 | Very low | 192 Ų | 192 | 138 Ų | 138 | 90% | 0.897 | 78% | 0.777 | S | S | * | * | trans | -65.2 | 143.2 | 157.3 | -68.8 | 175.1 | -43.5 | 0 | 0 | 109.2 | ||||
| 320 | G | 49.4 | Very low | 47.5 | Very low | 74 Ų | 74 | 138.3 Ų | 138.3 | 76% | 0.763 | 77% | 0.774 | S | S | * | * | S | Bend | trans | 109.3 | 23.4 | 158.4 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||
| 321 | H | 43.1 | Very low | 47.8 | Very low | 161 Ų | 161 | 138 Ų | 138 | 75% | 0.745 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -147.9 | 53.9 | 169.6 | -160.4 | -75.8 | 0 | 0 | 0 | 114.4 | ||
| 322 | L | 41.9 | Very low | 47.6 | Very low | 148 Ų | 148 | 134.6 Ų | 134.6 | 78% | 0.775 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -141 | -11.7 | 173.8 | -122.6 | 152.4 | 0 | 0 | 0 | 115 | T324 | L322-T324 VanDerWaalsContact C-N 3.34Š|
| 323 | E | 45.6 | Very low | 48.2 | Very low | 180 Ų | 180 | 134 Ų | 134 | 84% | 0.841 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.7 | -7.7 | 176.7 | -72.7 | 168.2 | 120.7 | 0 | 0 | 113.8 | ||
| 324 | T | 47 | Very low | 48.3 | Very low | 113 Ų | 113 | 135.5 Ų | 135.5 | 69% | 0.693 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.1 | 13.3 | 178.7 | -24.4 | 0 | 0 | 0 | 0 | 114 | L322 | L322-T324 VanDerWaalsContact C-N 3.34Š|
| 325 | L | 49.8 | Very low | 47.6 | Very low | 127 Ų | 127 | 132.5 Ų | 132.5 | 67% | 0.665 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -119.4 | -8.9 | 178.7 | -116.6 | 168 | 0 | 0 | 0 | 114.1 | Q327 | L325-Q327 VanDerWaalsContact C-N 3.31Š|
| 326 | D | 48.8 | Very low | 47.1 | Very low | 153 Ų | 153 | 135.2 Ų | 135.2 | 82% | 0.818 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -90.6 | 4.5 | 175.1 | -158.3 | 47 | 0 | 0 | 0 | 112.7 | ||
| 327 | Q | 46.2 | Very low | 47.2 | Very low | 176 Ų | 176 | 134.1 Ų | 134.1 | 82% | 0.822 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -122 | 15.7 | -174.7 | -153 | 122.6 | 101.8 | 0 | 0 | 113.9 | L325 | L325-Q327 VanDerWaalsContact C-N 3.31Š|
| 328 | L | 43.8 | Very low | 47.7 | Very low | 122 Ų | 122 | 129.5 Ų | 129.5 | 64% | 0.639 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -95.7 | 116.3 | 166.3 | -69.5 | 175.7 | 0 | 0 | 0 | 109.1 | Q330 | L328-Q330 PolarHBondContact O-N 2.94Š|
| 329 | S | 45.6 | Very low | 48.4 | Very low | 71 Ų | 71 | 132.3 Ų | 132.3 | 50% | 0.497 | 71% | 0.705 | S | S | . | * | trans | -62.7 | 135.5 | -178.7 | 179.5 | 0 | 0 | 0 | 0 | 110.9 | A331 E332 | S329-A331 PolarHBondContact O-N 3.34Å; S329-A331 PolarHBondContact OG-N 2.93Å; S329-E332 PolarHBondContact O-N 2.92Å | ||
| 330 | Q | 46.2 | Very low | 48.9 | Very low | 174 Ų | 174 | 128.9 Ų | 128.9 | 81% | 0.813 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.3 | -13 | 173.2 | -172.2 | 169.9 | 66.6 | 0 | 0 | 113.3 | L328 | L328-Q330 PolarHBondContact O-N 2.94Š|
| 331 | A | 47 | Very low | 49.9 | Very low | 71 Ų | 71 | 130.5 Ų | 130.5 | 59% | 0.587 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | -25.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | S329 G335 | S329-A331 PolarHBondContact O-N 3.34Å; S329-A331 PolarHBondContact OG-N 2.93Å; A331-G335 PolarHBondContact O-N 3.49Å |
| 332 | E | 49 | Very low | 50.7 | Low | 120 Ų | 120 | 128.7 Ų | 128.7 | 56% | 0.561 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.2 | -42.1 | -176.4 | -127.9 | 163.4 | 174.4 | 0 | 0 | 111 | S329 L334 G335 | S329-E332 PolarHBondContact O-N 2.92Å; E332-L334 PolarHBondContact O-N 3.05Å; E332-G335 PolarHBondContact O-N 3.08Å |
| 333 | L | 51.9 | Low | 51.7 | Low | 155 Ų | 155 | 125.2 Ų | 125.2 | 81% | 0.812 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.5 | -13.3 | 175.6 | -166.9 | 64.9 | 0 | 0 | 0 | 114.1 | ||
| 334 | L | 48.6 | Very low | 52.6 | Low | 143 Ų | 143 | 123 Ų | 123 | 75% | 0.749 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.6 | -2.8 | 173.9 | -64.2 | 177 | 0 | 0 | 0 | 113.1 | E332 | E332-L334 PolarHBondContact O-N 3.05Š|
| 335 | G | 46.8 | Very low | 53.5 | Low | 55 Ų | 55 | 125.7 Ų | 125.7 | 57% | 0.567 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.9 | -25.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | A331 E332 V337 | A331-G335 PolarHBondContact O-N 3.49Å; E332-G335 PolarHBondContact O-N 3.08Å; G335-V337 PolarHBondContact O-N 3.07Å; G335-V337 VanDerWaalsContact O-N 3.08Å |
| 336 | E | 46.1 | Very low | 54.3 | Low | 169 Ų | 169 | 124.4 Ų | 124.4 | 79% | 0.79 | 63% | 0.634 | S | S | * | * | trans | -85.8 | 53.6 | -180 | -64.5 | -176.2 | -131.4 | 0 | 0 | 112.9 | ||||
| 337 | V | 55.6 | Low | 54.6 | Low | 93 Ų | 93 | 123.1 Ų | 123.1 | 56% | 0.564 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -117.5 | 106.5 | 149.7 | 179 | 0 | 0 | 0 | 0 | 105.4 | G335 R339 F342 | G335-V337 PolarHBondContact O-N 3.07Å; G335-V337 VanDerWaalsContact O-N 3.08Å; V337-R339 PolarHBondContact O-N 3.03Å; V337-R339 VanDerWaalsContact O-N 3.07Å; V337-F342 HydrophobicContact CG1-CB 4.34Å |
| 338 | D | 58.8 | Low | 55 | Low | 92 Ų | 92 | 119.2 Ų | 119.2 | 49% | 0.492 | 62% | 0.62 | S | S | . | * | trans | -56.9 | 120.4 | 176.9 | -179.1 | 8.2 | 0 | 0 | 0 | 108.1 | N340 E341 F342 | D338-N340 PolarHBondContact O-N 3.06Å; D338-N340 VanDerWaalsContact O-N 3.14Å; D338-N340 WeakPolarHBondContact OD1-CB 3.48Å; D338-N340 PolarHBondContact OD1-N 3.05Å; D338-N340 PolarHBondContact OD1-OD1 2.91Å; D338-E341 HydrophobicContact CB-CB 3.98Å; D338-E341 WeakPolarHBondContact O-CA 3.39Å; D338-E341 WeakPolarHBondContact O-CB 3.38Å; D338-E341 PolarHBondContact O-N 3.14Å; D338-F342 PolarHBondContact O-N 3.4Å | ||
| 339 | R | 61.4 | Low | 55.4 | Low | 190 Ų | 190 | 119.2 Ų | 119.2 | 72% | 0.717 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -63.4 | -24.1 | -177.7 | -166.1 | 145.8 | 60.8 | 86.6 | -1.2 | 110.7 | V337 D343 | V337-R339 PolarHBondContact O-N 3.03Å; V337-R339 VanDerWaalsContact O-N 3.07Å; R339-D343 WeakPolarHBondContact O-CB 3.46Å; R339-D343 PolarHBondContact O-N 3.49Å |
| 340 | N | 54.3 | Low | 55.5 | Low | 119 Ų | 119 | 119 Ų | 119 | 64% | 0.636 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -73.4 | -31.7 | 172.4 | -63.9 | 61.4 | 0 | 0 | 0 | 112.9 | D338 Q344 | D338-N340 PolarHBondContact O-N 3.06Å; D338-N340 VanDerWaalsContact O-N 3.14Å; D338-N340 WeakPolarHBondContact OD1-CB 3.48Å; D338-N340 PolarHBondContact OD1-N 3.05Å; D338-N340 PolarHBondContact OD1-OD1 2.91Å; N340-Q344 VanDerWaalsContact O-CB 3.29Å; N340-Q344 WeakPolarHBondContact O-CB 3.5Å; N340-Q344 PolarHBondContact O-N 3.1Å |
| 341 | E | 70 | Confident | 55.3 | Low | 108 Ų | 108 | 113.8 Ų | 113.8 | 51% | 0.505 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -70.7 | -41.8 | 172.4 | -174.8 | -179.8 | -174.8 | 0 | 0 | 111 | D338 Q344 Y345 | D338-E341 HydrophobicContact CB-CB 3.98Å; D338-E341 WeakPolarHBondContact O-CA 3.39Å; D338-E341 WeakPolarHBondContact O-CB 3.38Å; D338-E341 PolarHBondContact O-N 3.14Å; E341-Q344 WeakPolarHBondContact O-CB 3.46Å; E341-Q344 PolarHBondContact O-N 3.41Å; E341-Y345 PolarHBondContact O-N 3.37Å; E341-Y345 VanDerWaalsContact O-N 3.08Å |
| 342 | F | 60.7 | Low | 54.9 | Low | 123 Ų | 123 | 114 Ų | 114 | 54% | 0.539 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -63.9 | -43.6 | 175.9 | -169.6 | -97.5 | 0 | 0 | 0 | 112.3 | V337 D338 Q344 Y345 L346 | V337-F342 HydrophobicContact CG1-CB 4.34Å; D338-F342 PolarHBondContact O-N 3.4Å; F342-Q344 VanDerWaalsContact C-N 3.32Å; F342-Q344 PolarHBondContact O-N 3.08Å; F342-Y345 PolarHBondContact O-N 2.92Å; F342-L346 HydrophobicContact CD1-CD1 4.15Å; F342-L346 HydrophobicContact CE1-CD1 3.8Å; F342-L346 PolarHBondContact O-N 3.38Å |
| 343 | D | 63.7 | Low | 54 | Low | 76 Ų | 76 | 118.8 Ų | 118.8 | 41% | 0.406 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -68.2 | -29.7 | 174.2 | -77.7 | -23.7 | 0 | 0 | 0 | 112.3 | R339 N347 | R339-D343 WeakPolarHBondContact O-CB 3.46Å; R339-D343 PolarHBondContact O-N 3.49Å; D343-N347 WeakPolarHBondContact O-CB 3.29Å; D343-N347 PolarHBondContact O-N 3.23Å; D343-N347 VanDerWaalsContact O-N 3.1Å; D343-N347 PolarHBondContact O-ND2 3Å |
| 344 | Q | 62.6 | Low | 53.1 | Low | 132 Ų | 132 | 119.5 Ų | 119.5 | 62% | 0.617 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -65 | -44.5 | 174.1 | -173.5 | 169.7 | 103 | 0 | 0 | 111.2 | N340 E341 F342 L346 N347 S348 | N340-Q344 VanDerWaalsContact O-CB 3.29Å; N340-Q344 WeakPolarHBondContact O-CB 3.5Å; N340-Q344 PolarHBondContact O-N 3.1Å; E341-Q344 WeakPolarHBondContact O-CB 3.46Å; E341-Q344 PolarHBondContact O-N 3.41Å; F342-Q344 VanDerWaalsContact C-N 3.32Å; F342-Q344 PolarHBondContact O-N 3.08Å; Q344-L346 VanDerWaalsContact C-N 3.33Å; Q344-L346 PolarHBondContact O-N 3.3Å; Q344-N347 PolarHBondContact O-N 3.28Å; Q344-S348 WeakPolarHBondContact O-CB 3.41Å; Q344-S348 PolarHBondContact O-N 3.38Å; Q344-S348 PolarHBondContact O-OG 2.85Å; Q344-S348 VanDerWaalsContact O-OG 3.13Å |
| 345 | Y | 66.3 | Low | 52.9 | Low | 171 Ų | 171 | 117.9 Ų | 117.9 | 67% | 0.671 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -58.6 | -41.1 | 176.6 | -106.1 | -81.6 | 0 | 0 | 0 | 113.5 | E341 F342 T349 | E341-Y345 PolarHBondContact O-N 3.37Å; E341-Y345 VanDerWaalsContact O-N 3.08Å; F342-Y345 PolarHBondContact O-N 2.92Å; Y345-T349 PolarHBondContact O-N 3.47Å; Y345-T349 PolarHBondContact O-OG1 2.9Å |
| 346 | L | 66.7 | Low | 52.3 | Low | 100 Ų | 100 | 122.7 Ų | 122.7 | 52% | 0.524 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -70.4 | -38.4 | 178.5 | -69 | 174.3 | 0 | 0 | 0 | 112.4 | F342 Q344 T349 | F342-L346 HydrophobicContact CD1-CD1 4.15Å; F342-L346 HydrophobicContact CE1-CD1 3.8Å; F342-L346 PolarHBondContact O-N 3.38Å; Q344-L346 VanDerWaalsContact C-N 3.33Å; Q344-L346 PolarHBondContact O-N 3.3Å; L346-T349 PolarHBondContact O-OG1 3.26Å |
| 347 | N | 55.9 | Low | 51.8 | Low | 125 Ų | 125 | 122.3 Ų | 122.3 | 67% | 0.668 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -73.4 | -36 | 177.6 | -73.4 | -52.5 | 0 | 0 | 0 | 112.4 | D343 Q344 T349 G350 | D343-N347 WeakPolarHBondContact O-CB 3.29Å; D343-N347 PolarHBondContact O-N 3.23Å; D343-N347 VanDerWaalsContact O-N 3.1Å; D343-N347 PolarHBondContact O-ND2 3Å; Q344-N347 PolarHBondContact O-N 3.28Å; N347-T349 VanDerWaalsContact C-N 3.25Å; N347-T349 PolarHBondContact O-N 3.39Å; N347-G350 PolarHBondContact O-N 3.13Å |
| 348 | S | 54.2 | Low | 50.8 | Low | 95 Ų | 95 | 122.2 Ų | 122.2 | 66% | 0.664 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -67.6 | -19.7 | 177.8 | -68.5 | 0 | 0 | 0 | 0 | 114.3 | Q344 | Q344-S348 WeakPolarHBondContact O-CB 3.41Å; Q344-S348 PolarHBondContact O-N 3.38Å; Q344-S348 PolarHBondContact O-OG 2.85Å; Q344-S348 VanDerWaalsContact O-OG 3.13Å |
| 349 | T | 53 | Low | 49.6 | Very low | 122 Ų | 122 | 124.1 Ų | 124.1 | 75% | 0.748 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.9 | -3.1 | 176.2 | 36.5 | 0 | 0 | 0 | 0 | 114.2 | Y345 L346 N347 | Y345-T349 PolarHBondContact O-N 3.47Å; Y345-T349 PolarHBondContact O-OG1 2.9Å; L346-T349 PolarHBondContact O-OG1 3.26Å; N347-T349 VanDerWaalsContact C-N 3.25Å; N347-T349 PolarHBondContact O-N 3.39Å |
| 350 | G | 47.9 | Very low | 48.3 | Very low | 67 Ų | 67 | 118.7 Ų | 118.7 | 69% | 0.691 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -103.1 | -4.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | N347 | N347-G350 PolarHBondContact O-N 3.13Š|
| 351 | G | 41.1 | Very low | 47.5 | Very low | 64 Ų | 64 | 121.9 Ų | 121.9 | 66% | 0.66 | 70% | 0.704 | S | S | * | * | trans | -90.3 | 114 | -176 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 352 | G | 37.5 | Very low | 46 | Very low | 75 Ų | 75 | 128.5 Ų | 128.5 | 77% | 0.773 | 72% | 0.724 | S | S | * | * | trans | -63.4 | 148.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | H354 | G352-H354 PolarHBondContact O-N 3.35Š| ||
| 353 | F | 32.1 | Very low | 44.8 | Very low | 221 Ų | 221 | 129.3 Ų | 129.3 | 97% | 0.969 | 74% | 0.739 | S | S | * | * | trans | -54.6 | 126.1 | -178.5 | -75.2 | -101.6 | 0 | 0 | 0 | 113.4 | ||||
| 354 | H | 31.6 | Very low | 43.6 | Very low | 169 Ų | 169 | 132.1 Ų | 132.1 | 78% | 0.782 | 76% | 0.759 | S | S | * | * | trans | -130.2 | 124 | 157.1 | -170.9 | -78.6 | 0 | 0 | 0 | 108.6 | G352 | G352-H354 PolarHBondContact O-N 3.35Š| ||
| 355 | P | 44.8 | Very low | 42.3 | Very low | 110 Ų | 110 | 129.7 Ų | 129.7 | 71% | 0.714 | 77% | 0.77 | S | S | * | * | trans | -93.2 | 116 | -169.8 | 33.6 | -31.7 | 0 | 0 | 0 | 112.7 | ||||
| 356 | E | 33.3 | Very low | 40.7 | Very low | 155 Ų | 155 | 128.2 Ų | 128.2 | 72% | 0.724 | 77% | 0.769 | S | S | * | * | trans | -155.9 | 129.4 | 149.3 | -119.5 | -152.7 | 100.6 | 0 | 0 | 114.4 | ||||
| 357 | Q | 35.8 | Very low | 39.3 | Very low | 161 Ų | 161 | 131 Ų | 131 | 75% | 0.752 | 78% | 0.783 | S | S | * | * | trans | 39.4 | 98.3 | 152.3 | -60.9 | -165.3 | 88.5 | 0 | 0 | 122 | ||||
| 358 | A | 34.7 | Very low | 38.3 | Very low | 92 Ų | 92 | 132.5 Ų | 132.5 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | 60.6 | 110.3 | 116.5 | 0 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 359 | S | 34 | Very low | 37.4 | Very low | 131 Ų | 131 | 134.3 Ų | 134.3 | 92% | 0.916 | 79% | 0.792 | S | S | * | * | -162.4 | 145.4 | 114.6 | -84.7 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 360 | G | 34.8 | Very low | 36.5 | Very low | 76 Ų | 76 | 133.1 Ų | 133.1 | 78% | 0.784 | 80% | 0.795 | S | S | * | * | trans | -110 | 159 | -161.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 361 | M | 37.8 | Very low | 35.9 | Very low | 186 Ų | 186 | 135.6 Ų | 135.6 | 92% | 0.916 | 80% | 0.802 | S | S | * | * | trans | -142 | 120.4 | 153.8 | -106.6 | 158.7 | 57.5 | 0 | 0 | 108.5 | ||||
| 362 | R | 38.1 | Very low | 35.7 | Very low | 247 Ų | 247 | 139.3 Ų | 139.3 | 93% | 0.932 | 81% | 0.811 | S | S | * | * | trans | -94 | 124.9 | 174.3 | -63 | -177.6 | -176.7 | -170.3 | 1.1 | 108.2 | ||||
| 363 | V | 34.9 | Very low | 35.8 | Very low | 141 Ų | 141 | 142.4 Ų | 142.4 | 86% | 0.855 | 82% | 0.816 | S | S | * | * | trans | -118.5 | 130.7 | 161.5 | 176.7 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 364 | T | 37.8 | Very low | 35.9 | Very low | 134 Ų | 134 | 136.2 Ų | 136.2 | 82% | 0.822 | 81% | 0.805 | S | S | * | * | trans | -96.4 | 125.3 | -168.9 | 55.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 365 | G | 35.5 | Very low | 36 | Very low | 81 Ų | 81 | 134.4 Ų | 134.4 | 84% | 0.835 | 81% | 0.806 | S | S | * | * | trans | -133.1 | 96.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 366 | H | 33.7 | Very low | 35.6 | Very low | 141 Ų | 141 | 134.6 Ų | 134.6 | 65% | 0.653 | 81% | 0.81 | S | S | * | * | trans | -98.5 | 107 | -172 | 172.7 | -62 | 0 | 0 | 0 | 110.9 | Q368 | H366-Q368 VanDerWaalsContact CE1-CG 3.47Å; H366-Q368 WeakPolarHBondContact CE1-CG 3.47Å; H366-Q368 PolarHBondContact CE1-NE2 3.08Å; H366-Q368 PolarHBondContact NE2-NE2 2.7Å | ||
| 367 | I | 35.8 | Very low | 35.7 | Very low | 159 Ų | 159 | 131.8 Ų | 131.8 | 82% | 0.815 | 81% | 0.814 | S | S | * | * | trans | -123.2 | 114.2 | 162.1 | -69 | 179.6 | 0 | 0 | 0 | 108.2 | V369 | I367-V369 HydrophobicContact CG2-CG2 4.4Š| ||
| 368 | Q | 36.7 | Very low | 35.7 | Very low | 155 Ų | 155 | 130 Ų | 130 | 72% | 0.724 | 82% | 0.818 | S | S | * | * | trans | -86.2 | 134.4 | 169.8 | -75.1 | 172.9 | 15.5 | 0 | 0 | 109.3 | H366 | H366-Q368 VanDerWaalsContact CE1-CG 3.47Å; H366-Q368 WeakPolarHBondContact CE1-CG 3.47Å; H366-Q368 PolarHBondContact CE1-NE2 3.08Å; H366-Q368 PolarHBondContact NE2-NE2 2.7Å | ||
| 369 | V | 35.1 | Very low | 35.8 | Very low | 134 Ų | 134 | 129.7 Ų | 129.7 | 81% | 0.812 | 82% | 0.817 | S | S | * | * | trans | -128.1 | 130.6 | 156.9 | 179.9 | 0 | 0 | 0 | 0 | 107.3 | I367 | I367-V369 HydrophobicContact CG2-CG2 4.4Š| ||
| 370 | A | 33.4 | Very low | 35.6 | Very low | 97 Ų | 97 | 129.7 Ų | 129.7 | 80% | 0.802 | 82% | 0.815 | S | S | * | * | trans | -75 | 138.4 | -167.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 371 | S | 35.3 | Very low | 36.4 | Very low | 119 Ų | 119 | 132.1 Ų | 132.1 | 83% | 0.832 | 82% | 0.817 | S | S | * | * | trans | -90.8 | 115.4 | 170 | 36.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 372 | T | 37.7 | Very low | 36.6 | Very low | 141 Ų | 141 | 129 Ų | 129 | 87% | 0.865 | 81% | 0.813 | S | S | * | * | trans | -83.2 | 137.9 | 171.3 | 47.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 373 | T | 38.7 | Very low | 36.6 | Very low | 141 Ų | 141 | 122.2 Ų | 122.2 | 87% | 0.865 | 80% | 0.804 | S | S | * | * | trans | -73.6 | 140.7 | -169 | 50.1 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 374 | A | 34.4 | Very low | 37 | Very low | 90 Ų | 90 | 122 Ų | 122 | 74% | 0.744 | 80% | 0.803 | S | S | * | * | trans | -154.9 | 101.8 | 152.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 375 | T | 34.6 | Very low | 37.6 | Very low | 131 Ų | 131 | 121.1 Ų | 121.1 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | trans | 49.4 | 114.5 | 142.2 | 49.5 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 376 | S | 35.2 | Very low | 38.4 | Very low | 114 Ų | 114 | 125.8 Ų | 125.8 | 80% | 0.797 | 80% | 0.798 | S | S | * | * | 80.2 | 118 | 129.1 | 61.3 | 0 | 0 | 0 | 0 | 124.2 | |||||
| 377 | A | 36.3 | Very low | 39.8 | Very low | 97 Ų | 97 | 124.4 Ų | 124.4 | 80% | 0.802 | 80% | 0.799 | S | S | * | * | trans | 62.4 | 106.3 | 148.4 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 378 | S | 34.9 | Very low | 41.7 | Very low | 122 Ų | 122 | 119.8 Ų | 119.8 | 85% | 0.853 | 78% | 0.781 | S | S | * | * | 81.5 | 125.7 | 73.2 | 179 | 0 | 0 | 0 | 0 | 114 | |||||
| 379 | A | 37.2 | Very low | 43.6 | Very low | 87 Ų | 87 | 118.9 Ų | 118.9 | 72% | 0.719 | 78% | 0.78 | S | S | * | * | cis | -165.5 | 140 | -13.7 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 380 | C | 29.8 | Very low | 45.5 | Very low | 130 Ų | 130 | 118.8 Ų | 118.8 | 88% | 0.878 | 77% | 0.774 | S | S | * | * | trans | -159.5 | 120.7 | 167 | -100 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 381 | P | 50.8 | Low | 47.7 | Very low | 128 Ų | 128 | 117.1 Ų | 117.1 | 83% | 0.831 | 76% | 0.757 | S | S | * | * | trans | -100.2 | 88.6 | -178.1 | 35.9 | -29.7 | 0 | 0 | 0 | 111.9 | ||||
| 382 | S | 43 | Very low | 50 | Low | 120 Ų | 120 | 115.1 Ų | 115.1 | 84% | 0.839 | 74% | 0.739 | S | S | * | * | trans | -174.4 | 101.6 | 160.7 | -85.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 383 | S | 37.3 | Very low | 52.3 | Low | 104 Ų | 104 | 113.8 Ų | 113.8 | 73% | 0.727 | 73% | 0.726 | S | S | * | * | trans | -176.6 | 122.2 | 139.7 | 33.5 | 0 | 0 | 0 | 0 | 109 | T385 | S383-T385 PolarHBondContact O-N 3.34Š| ||
| 384 | T | 43.2 | Very low | 54.3 | Low | 136 Ų | 136 | 109.6 Ų | 109.6 | 83% | 0.834 | 71% | 0.706 | S | S | * | * | trans | -66.4 | 99.9 | 158 | 41.2 | 0 | 0 | 0 | 0 | 106.7 | E386 | T384-E386 VanDerWaalsContact C-N 3.31Å; T384-E386 PolarHBondContact O-N 3.44Å | ||
| 385 | T | 50.2 | Low | 56.7 | Low | 116 Ų | 116 | 111 Ų | 111 | 71% | 0.712 | 70% | 0.701 | S | S | * | * | trans | -70.1 | 91.8 | 175.1 | 46 | 0 | 0 | 0 | 0 | 108.7 | S383 T387 | S383-T385 PolarHBondContact O-N 3.34Å; T385-T387 PolarHBondContact O-N 3.26Å | ||
| 386 | E | 52.6 | Low | 58.9 | Low | 180 Ų | 180 | 107.6 Ų | 107.6 | 84% | 0.841 | 69% | 0.686 | S | S | * | * | trans | -58.7 | 106.9 | 162.6 | -66.2 | -165.7 | 160.9 | 0 | 0 | 107.5 | T384 S388 | T384-E386 VanDerWaalsContact C-N 3.31Å; T384-E386 PolarHBondContact O-N 3.44Å; E386-S388 PolarHBondContact O-N 2.97Å | ||
| 387 | T | 63.8 | Low | 61.1 | Low | 111 Ų | 111 | 105.9 Ų | 105.9 | 68% | 0.681 | 67% | 0.671 | S | S | * | * | trans | -67.6 | 89.4 | 175.8 | 16.6 | 0 | 0 | 0 | 0 | 107.9 | T385 L389 | T385-T387 PolarHBondContact O-N 3.26Å; T387-L389 PolarHBondContact O-N 3.22Å | ||
| 388 | S | 74.7 | Confident | 63 | Low | 62 Ų | 62 | 103.3 Ų | 103.3 | 43% | 0.434 | 65% | 0.65 | S | S | . | * | trans | -47.2 | 134.9 | 179.3 | -174.3 | 0 | 0 | 0 | 0 | 110.1 | E386 I390 S391 V392 | E386-S388 PolarHBondContact O-N 2.97Å; S388-I390 PolarHBondContact O-N 3.46Å; S388-S391 WeakPolarHBondContact O-CA 3.29Å; S388-S391 WeakPolarHBondContact O-CB 3.35Å; S388-S391 PolarHBondContact O-N 2.92Å; S388-V392 PolarHBondContact O-N 3.45Å | ||
| 389 | L | 78.1 | Confident | 64.8 | Low | 137 Ų | 137 | 100 Ų | 100 | 72% | 0.717 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -50.8 | -29.9 | 178.6 | -70.8 | 167.6 | 0 | 0 | 0 | 112.1 | T387 V392 L393 | T387-L389 PolarHBondContact O-N 3.22Å; L389-V392 PolarHBondContact O-N 2.81Å; L389-L393 VanDerWaalsContact O-CB 3.3Å; L389-L393 WeakPolarHBondContact O-CB 3.3Å; L389-L393 WeakPolarHBondContact O-CD1 3.18Å; L389-L393 WeakPolarHBondContact O-CG 3.33Å; L389-L393 PolarHBondContact O-N 2.97Å |
| 390 | I | 74.3 | Confident | 66.7 | Low | 131 Ų | 131 | 102.4 Ų | 102.4 | 67% | 0.672 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -62.2 | -43.3 | 175.4 | -58.3 | 173.2 | 0 | 0 | 0 | 111.5 | S388 A394 | S388-I390 PolarHBondContact O-N 3.46Å; I390-A394 VanDerWaalsContact O-CB 3.3Å; I390-A394 WeakPolarHBondContact O-CB 3.3Å; I390-A394 PolarHBondContact O-N 2.9Å |
| 391 | S | 78.7 | Confident | 68.7 | Low | 63 Ų | 63 | 104.3 Ų | 104.3 | 44% | 0.441 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -69.6 | -41.5 | 177.3 | -56.1 | 0 | 0 | 0 | 0 | 111.8 | S388 L393 A394 D395 | S388-S391 WeakPolarHBondContact O-CA 3.29Å; S388-S391 WeakPolarHBondContact O-CB 3.35Å; S388-S391 PolarHBondContact O-N 2.92Å; S391-L393 VanDerWaalsContact C-N 3.33Å; S391-L393 PolarHBondContact O-N 3.35Å; S391-A394 PolarHBondContact O-N 3.21Å; S391-D395 PolarHBondContact O-N 3.3Å |
| 392 | V | 84.6 | Confident | 69.6 | Low | 76 Ų | 76 | 104.1 Ų | 104.1 | 46% | 0.461 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -62.7 | -41.8 | 176.5 | -178.8 | 0 | 0 | 0 | 0 | 111.1 | S388 L389 A396 | S388-V392 PolarHBondContact O-N 3.45Å; L389-V392 PolarHBondContact O-N 2.81Å; V392-A396 WeakPolarHBondContact O-CB 3.49Å; V392-A396 PolarHBondContact O-N 3.41Å |
| 393 | L | 84.8 | Confident | 70.5 | Confident | 114 Ų | 114 | 104.5 Ų | 104.5 | 60% | 0.597 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -69.4 | -34.4 | 175.1 | -71 | 169 | 0 | 0 | 0 | 112.5 | L389 S391 T397 | L389-L393 VanDerWaalsContact O-CB 3.3Å; L389-L393 WeakPolarHBondContact O-CB 3.3Å; L389-L393 WeakPolarHBondContact O-CD1 3.18Å; L389-L393 WeakPolarHBondContact O-CG 3.33Å; L389-L393 PolarHBondContact O-N 2.97Å; S391-L393 VanDerWaalsContact C-N 3.33Å; S391-L393 PolarHBondContact O-N 3.35Å; L393-T397 VanDerWaalsContact O-CB 3.3Å; L393-T397 WeakPolarHBondContact O-CB 3.41Å; L393-T397 PolarHBondContact O-N 3.27Å; L393-T397 PolarHBondContact O-OG1 3.35Å |
| 394 | A | 81.4 | Confident | 71.5 | Confident | 53 Ų | 53 | 107.9 Ų | 107.9 | 44% | 0.438 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -65.3 | -47.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | I390 S391 T397 A398 | I390-A394 VanDerWaalsContact O-CB 3.3Å; I390-A394 WeakPolarHBondContact O-CB 3.3Å; I390-A394 PolarHBondContact O-N 2.9Å; S391-A394 PolarHBondContact O-N 3.21Å; A394-T397 PolarHBondContact O-N 3.24Å; A394-A398 WeakPolarHBondContact O-CB 3.45Å; A394-A398 PolarHBondContact O-N 2.96Å |
| 395 | D | 85.7 | Confident | 72 | Confident | 119 Ų | 119 | 104.1 Ų | 104.1 | 64% | 0.636 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -65.2 | -41.5 | 177.5 | -79.6 | -1.2 | 0 | 0 | 0 | 111.8 | S391 T397 A398 A399 | S391-D395 PolarHBondContact O-N 3.3Å; D395-T397 VanDerWaalsContact C-N 3.33Å; D395-T397 PolarHBondContact O-N 3.19Å; D395-A398 PolarHBondContact O-N 3.45Å; D395-A399 WeakPolarHBondContact O-CB 3.38Å; D395-A399 PolarHBondContact O-N 2.8Å |
| 396 | A | 79.6 | Confident | 72.2 | Confident | 60 Ų | 60 | 105.8 Ų | 105.8 | 50% | 0.496 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -61.5 | -40.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | V392 A399 Y400 | V392-A396 WeakPolarHBondContact O-CB 3.49Å; V392-A396 PolarHBondContact O-N 3.41Å; A396-A399 PolarHBondContact O-N 3.49Å; A396-Y400 PolarHBondContact O-N 2.83Å; A396-Y400 VanDerWaalsContact O-N 3.09Å |
| 397 | T | 81 | Confident | 71.8 | Confident | 77 Ų | 77 | 106.7 Ų | 106.7 | 47% | 0.472 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -66.6 | -42.3 | 175.5 | -57.2 | 0 | 0 | 0 | 0 | 111 | L393 A394 D395 Y400 Y401 | L393-T397 VanDerWaalsContact O-CB 3.3Å; L393-T397 WeakPolarHBondContact O-CB 3.41Å; L393-T397 PolarHBondContact O-N 3.27Å; L393-T397 PolarHBondContact O-OG1 3.35Å; A394-T397 PolarHBondContact O-N 3.24Å; D395-T397 VanDerWaalsContact C-N 3.33Å; D395-T397 PolarHBondContact O-N 3.19Å; T397-Y400 PolarHBondContact O-N 2.83Å; T397-Y401 HydrophobicContact CG2-CD2 3.9Å; T397-Y401 HydrophobicContact CG2-CE2 3.92Å; T397-Y401 WeakPolarHBondContact O-CD2 3.3Å; T397-Y401 PolarHBondContact O-N 2.83Å; T397-Y401 VanDerWaalsContact O-N 3.08Å |
| 398 | A | 76.6 | Confident | 72.2 | Confident | 44 Ų | 44 | 106.5 Ų | 106.5 | 36% | 0.364 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -64 | -42.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | A394 D395 Y400 Y401 N402 | A394-A398 WeakPolarHBondContact O-CB 3.45Å; A394-A398 PolarHBondContact O-N 2.96Å; D395-A398 PolarHBondContact O-N 3.45Å; A398-Y400 VanDerWaalsContact C-N 3.33Å; A398-Y400 PolarHBondContact O-N 3.26Å; A398-Y401 PolarHBondContact O-N 3Å; A398-N402 WeakPolarHBondContact O-CB 3.46Å; A398-N402 PolarHBondContact O-N 2.99Å; A398-N402 PolarHBondContact O-ND2 3.09Å |
| 399 | A | 72.6 | Confident | 72 | Confident | 52 Ų | 52 | 108.8 Ų | 108.8 | 43% | 0.43 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -61.9 | -39.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | D395 A396 N403 | D395-A399 WeakPolarHBondContact O-CB 3.38Å; D395-A399 PolarHBondContact O-N 2.8Å; A396-A399 PolarHBondContact O-N 3.49Å; A399-N403 PolarHBondContact O-N 2.81Å; A399-N403 PolarHBondContact O-ND2 3.06Å |
| 400 | Y | 78.6 | Confident | 71.7 | Confident | 137 Ų | 137 | 107.2 Ų | 107.2 | 54% | 0.537 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -60.3 | -54.3 | 173.5 | -175.1 | -88.6 | 0 | 0 | 0 | 111.2 | A396 T397 A398 N402 N403 Y404 | A396-Y400 PolarHBondContact O-N 2.83Å; A396-Y400 VanDerWaalsContact O-N 3.09Å; T397-Y400 PolarHBondContact O-N 2.83Å; A398-Y400 VanDerWaalsContact C-N 3.33Å; A398-Y400 PolarHBondContact O-N 3.26Å; Y400-N402 VanDerWaalsContact C-N 3.34Å; Y400-N402 PolarHBondContact O-N 2.92Å; Y400-N403 PolarHBondContact O-N 2.9Å; Y400-Y404 HydrophobicContact CD1-CD2 4.09Å; Y400-Y404 HydrophobicContact CD2-CD2 4.11Å; Y400-Y404 AromaticContact CD2-CE2 3.75Å; Y400-Y404 HydrophobicContact CD2-CE2 3.75Å; Y400-Y404 AromaticContact CE1-CD2 3.88Å; Y400-Y404 HydrophobicContact CE1-CD2 3.88Å; Y400-Y404 HydrophobicContact CE1-CE2 4.23Å; Y400-Y404 AromaticContact CE2-CD2 3.93Å; Y400-Y404 HydrophobicContact CE2-CD2 3.93Å; Y400-Y404 AromaticContact CE2-CE2 3.43Å; Y400-Y404 HydrophobicContact CE2-CE2 3.43Å; Y400-Y404 VanDerWaalsContact CE2-CE2 3.43Å; Y400-Y404 HydrophobicContact CG-CD2 4.19Å; Y400-Y404 HydrophobicContact CG-CE2 4.29Å; Y400-Y404 AromaticContact CZ-CD2 3.79Å; Y400-Y404 AromaticContact CZ-CE2 3.68Å; Y400-Y404 VanDerWaalsContact O-CD2 3.29Å; Y400-Y404 WeakPolarHBondContact O-CD2 3.47Å; Y400-Y404 PolarHBondContact O-N 2.98Å |
| 401 | Y | 71.4 | Confident | 71.5 | Confident | 171 Ų | 171 | 105.8 Ų | 105.8 | 67% | 0.671 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -65.9 | -31.1 | -177.6 | -82.5 | -75.3 | 0 | 0 | 0 | 114.2 | T397 A398 G405 | T397-Y401 HydrophobicContact CG2-CD2 3.9Å; T397-Y401 HydrophobicContact CG2-CE2 3.92Å; T397-Y401 WeakPolarHBondContact O-CD2 3.3Å; T397-Y401 PolarHBondContact O-N 2.83Å; T397-Y401 VanDerWaalsContact O-N 3.08Å; A398-Y401 PolarHBondContact O-N 3Å; Y401-G405 PolarHBondContact O-N 3.21Å |
| 402 | N | 69 | Low | 71.1 | Confident | 123 Ų | 123 | 108.5 Ų | 108.5 | 66% | 0.658 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -71.9 | -33.5 | 175.3 | -78.7 | -75.4 | 0 | 0 | 0 | 112.9 | A398 Y400 | A398-N402 WeakPolarHBondContact O-CB 3.46Å; A398-N402 PolarHBondContact O-N 2.99Å; A398-N402 PolarHBondContact O-ND2 3.09Å; Y400-N402 VanDerWaalsContact C-N 3.34Å; Y400-N402 PolarHBondContact O-N 2.92Å |
| 403 | N | 61.5 | Low | 70.2 | Confident | 129 Ų | 129 | 110.7 Ų | 110.7 | 69% | 0.69 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -74.6 | -29.8 | 178.2 | -82.9 | -82.7 | 0 | 0 | 0 | 113.5 | A399 Y400 | A399-N403 PolarHBondContact O-N 2.81Å; A399-N403 PolarHBondContact O-ND2 3.06Å; Y400-N403 PolarHBondContact O-N 2.9Å |
| 404 | Y | 58.7 | Low | 69.2 | Low | 174 Ų | 174 | 110.4 Ų | 110.4 | 68% | 0.682 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.6 | 11.5 | 176.9 | -67.4 | -74.4 | 0 | 0 | 0 | 113.8 | Y400 | Y400-Y404 HydrophobicContact CD1-CD2 4.09Å; Y400-Y404 HydrophobicContact CD2-CD2 4.11Å; Y400-Y404 AromaticContact CD2-CE2 3.75Å; Y400-Y404 HydrophobicContact CD2-CE2 3.75Å; Y400-Y404 AromaticContact CE1-CD2 3.88Å; Y400-Y404 HydrophobicContact CE1-CD2 3.88Å; Y400-Y404 HydrophobicContact CE1-CE2 4.23Å; Y400-Y404 AromaticContact CE2-CD2 3.93Å; Y400-Y404 HydrophobicContact CE2-CD2 3.93Å; Y400-Y404 AromaticContact CE2-CE2 3.43Å; Y400-Y404 HydrophobicContact CE2-CE2 3.43Å; Y400-Y404 VanDerWaalsContact CE2-CE2 3.43Å; Y400-Y404 HydrophobicContact CG-CD2 4.19Å; Y400-Y404 HydrophobicContact CG-CE2 4.29Å; Y400-Y404 AromaticContact CZ-CD2 3.79Å; Y400-Y404 AromaticContact CZ-CE2 3.68Å; Y400-Y404 VanDerWaalsContact O-CD2 3.29Å; Y400-Y404 WeakPolarHBondContact O-CD2 3.47Å; Y400-Y404 PolarHBondContact O-N 2.98Å |
| 405 | G | 54.6 | Low | 68.2 | Low | 58 Ų | 58 | 114.8 Ų | 114.8 | 60% | 0.598 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -91.6 | -2.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 116 | Y401 | Y401-G405 PolarHBondContact O-N 3.21Š|
| 406 | I | 53.1 | Low | 66.8 | Low | 151 Ų | 151 | 114.5 Ų | 114.5 | 77% | 0.774 | 65% | 0.646 | S | S | * | * | trans | -129.6 | 91.8 | -177.2 | -52.9 | 178.1 | 0 | 0 | 0 | 110.6 | ||||
| 407 | S | 44.3 | Very low | 65.6 | Low | 198 Ų | 198 | 119.5 Ų | 119.5 | 100% | 1.385 | 66% | 0.66 | S | S | * | * | trans | -165.1 | 0 | 155.1 | -76.2 | 0 | 0 | 0 | 0 | 109.2 |
Retrieved 407 of 407 residues in 66.5 ms
(Link to these results)