| 1 | M | 49.5 | Very low | 65.4 | Low | 243 Ų | 243 | 142.6 Ų | 142.6 | 100% | 1.197 | 81% | 0.812 | S | S | * | * | | | | 0 | 118.5 | 0 | -70.7 | -177.7 | 175.4 | 0 | 0 | 106.6 | | |
| 2 | A | 54.6 | Low | 66.3 | Low | 103 Ų | 103 | 140.7 Ų | 140.7 | 85% | 0.851 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 132.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 3 | Q | 59.4 | Low | 67.1 | Low | 179 Ų | 179 | 139.4 Ų | 139.4 | 84% | 0.836 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 145.3 | 173.3 | -71.4 | -165.3 | -21.6 | 0 | 0 | 110.1 | T5 | Q3-T5 PolarHBondContact O-N 3.22Š|
| 4 | P | 61.2 | Low | 68 | Low | 121 Ų | 121 | 132.9 Ų | 132.9 | 79% | 0.786 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 121 | 173.7 | 28.3 | -31.5 | 0 | 0 | 0 | 109.8 | | |
| 5 | T | 59.1 | Low | 68.9 | Low | 138 Ų | 138 | 129.6 Ų | 129.6 | 85% | 0.847 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 118.2 | 164.5 | 35.6 | 0 | 0 | 0 | 0 | 109.1 | Q3 | Q3-T5 PolarHBondContact O-N 3.22Š|
| 6 | V | 71.5 | Confident | 69.2 | Low | 117 Ų | 117 | 128.3 Ų | 128.3 | 71% | 0.709 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 120.7 | 167.4 | -178.9 | 0 | 0 | 0 | 0 | 107.6 | F8 | V6-F8 HydrophobicContact CG1-CE2 4.37Å; V6-F8 HydrophobicContact CG1-CZ 4.47Å |
| 7 | S | 74 | Confident | 69.7 | Low | 111 Ų | 111 | 124.7 Ų | 124.7 | 78% | 0.776 | 72% | 0.721 | S | S | * | * | | | trans | -107.4 | 126.4 | 171.8 | 52.6 | 0 | 0 | 0 | 0 | 109 | | |
| 8 | F | 70.9 | Confident | 69.9 | Low | 167 Ų | 167 | 126.6 Ų | 126.6 | 73% | 0.732 | 72% | 0.715 | S | S | * | * | | | trans | -81 | 140.5 | 172.5 | -68.5 | -86.5 | 0 | 0 | 0 | 110.4 | V6 D12 | V6-F8 HydrophobicContact CG1-CE2 4.37Å; V6-F8 HydrophobicContact CG1-CZ 4.47Å; F8-D12 HydrophobicContact CD1-CB 4.46Å |
| 9 | D | 73.1 | Confident | 70.1 | Confident | 126 Ų | 126 | 127.2 Ų | 127.2 | 67% | 0.674 | 71% | 0.706 | S | S | * | * | | | trans | -76.1 | 151.8 | 177.1 | -136.6 | -22.2 | 0 | 0 | 0 | 109.9 | E11 D12 | D9-E11 PolarHBondContact O-N 2.98Å; D9-D12 PolarHBondContact O-N 2.86Å |
| 10 | A | 68.8 | Low | 69.6 | Low | 80 Ų | 80 | 128 Ų | 128 | 66% | 0.661 | 70% | 0.704 | S | S | * | * | G | 310 helix | trans | -62.8 | -13.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 11 | E | 77.1 | Confident | 69 | Low | 184 Ų | 184 | 131.6 Ų | 131.6 | 86% | 0.86 | 71% | 0.707 | S | S | * | * | G | 310 helix | trans | -83.5 | -12.8 | 175.9 | -59.1 | -164.6 | 165.2 | 0 | 0 | 113.6 | D9 L13 | D9-E11 PolarHBondContact O-N 2.98Å; E11-L13 VanDerWaalsContact C-N 3.33Å |
| 12 | D | 76.5 | Confident | 69.2 | Low | 119 Ų | 119 | 126 Ų | 126 | 64% | 0.636 | 69% | 0.686 | S | S | * | * | G | 310 helix | trans | -88.5 | 3.9 | 176.3 | -87.5 | -19.1 | 0 | 0 | 0 | 113.2 | F8 D9 | F8-D12 HydrophobicContact CD1-CB 4.46Å; D9-D12 PolarHBondContact O-N 2.86Å |
| 13 | L | 76.7 | Confident | 69.3 | Low | 124 Ų | 124 | 130.1 Ų | 130.1 | 65% | 0.649 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -79.6 | 131.8 | 173.6 | -69.6 | 171.4 | 0 | 0 | 0 | 110.3 | E11 | E11-L13 VanDerWaalsContact C-N 3.33Š|
| 14 | P | 79.6 | Confident | 69.1 | Low | 49 Ų | 49 | 129.9 Ų | 129.9 | 32% | 0.318 | 68% | 0.684 | S | S | . | * | P | Polyproline II helix | trans | -60.9 | 148.1 | 175.4 | 26 | -33.4 | 0 | 0 | 0 | 110.2 | Y18 Y19 | P14-Y18 HydrophobicContact CB-CD1 4.48Å; P14-Y18 HydrophobicContact CB-CG 4.15Å; P14-Y18 HydrophobicContact CG-CD1 4.35Å; P14-Y18 HydrophobicContact CG-CG 4.49Å; P14-Y19 HydrophobicContact CG-CE2 4.19Å; P14-Y19 WeakPolarHBondContact CG-OH 3.25Å |
| 15 | P | 80.8 | Confident | 68.4 | Low | 83 Ų | 83 | 131 Ų | 131 | 54% | 0.539 | 68% | 0.684 | S | S | . | * | P | Polyproline II helix | trans | -58.2 | 148.8 | -178.2 | 22.8 | -32.7 | 0 | 0 | 0 | 111.1 | S17 Y18 | P15-S17 PolarHBondContact O-N 3.18Å; P15-Y18 VanDerWaalsContact O-CB 3.31Å; P15-Y18 WeakPolarHBondContact O-CB 3.41Å; P15-Y18 PolarHBondContact O-N 3.09Å |
| 16 | P | 73.9 | Confident | 67.6 | Low | 109 Ų | 109 | 127.1 Ų | 127.1 | 71% | 0.708 | 67% | 0.671 | S | S | * | * | G | 310 helix | trans | -53.2 | -23.3 | -176.4 | -28.6 | 34.7 | 0 | 0 | 0 | 115.4 | Y18 Y19 | P16-Y18 PolarHBondContact O-N 2.99Å; P16-Y19 PolarHBondContact O-N 3.42Å |
| 17 | S | 77.6 | Confident | 66 | Low | 67 Ų | 67 | 127.2 Ų | 127.2 | 47% | 0.469 | 67% | 0.674 | S | S | . | * | G | 310 helix | trans | -62.7 | -22 | 174.7 | 54.7 | 0 | 0 | 0 | 0 | 113.9 | P15 Y19 Q20 | P15-S17 PolarHBondContact O-N 3.18Å; S17-Y19 VanDerWaalsContact C-N 3.27Å; S17-Y19 PolarHBondContact O-N 2.96Å; S17-Q20 PolarHBondContact O-N 3.16Å |
| 18 | Y | 73.4 | Confident | 64.6 | Low | 158 Ų | 158 | 130 Ų | 130 | 62% | 0.62 | 68% | 0.679 | S | S | * | * | G | 310 helix | trans | -63.4 | -34.9 | 176.5 | -169.7 | -96.2 | 0 | 0 | 0 | 111.6 | P14 P15 P16 | P14-Y18 HydrophobicContact CB-CD1 4.48Å; P14-Y18 HydrophobicContact CB-CG 4.15Å; P14-Y18 HydrophobicContact CG-CD1 4.35Å; P14-Y18 HydrophobicContact CG-CG 4.49Å; P15-Y18 VanDerWaalsContact O-CB 3.31Å; P15-Y18 WeakPolarHBondContact O-CB 3.41Å; P15-Y18 PolarHBondContact O-N 3.09Å; P16-Y18 PolarHBondContact O-N 2.99Å |
| 19 | Y | 74 | Confident | 62.8 | Low | 139 Ų | 139 | 130 Ų | 130 | 55% | 0.545 | 69% | 0.685 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.9 | -11 | -178.1 | -55.9 | -75.9 | 0 | 0 | 0 | 114.1 | P14 P16 S17 | P14-Y19 HydrophobicContact CG-CE2 4.19Å; P14-Y19 WeakPolarHBondContact CG-OH 3.25Å; P16-Y19 PolarHBondContact O-N 3.42Å; S17-Y19 VanDerWaalsContact C-N 3.27Å; S17-Y19 PolarHBondContact O-N 2.96Å |
| 20 | Q | 61.2 | Low | 60.9 | Low | 143 Ų | 143 | 126.7 Ų | 126.7 | 67% | 0.668 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | -27.6 | -179 | -82.9 | 176 | -7.6 | 0 | 0 | 113.4 | S17 V22 K23 | S17-Q20 PolarHBondContact O-N 3.16Å; Q20-V22 PolarHBondContact O-N 3.47Å; Q20-K23 PolarHBondContact O-N 2.88Å |
| 21 | R | 55.6 | Low | 59.3 | Low | 203 Ų | 203 | 127.3 Ų | 127.3 | 77% | 0.766 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74 | -9.8 | -178.3 | -78.9 | -164 | -89.4 | -163.1 | -2.8 | 115.2 | | |
| 22 | V | 54.5 | Low | 57.4 | Low | 126 Ų | 126 | 126.9 Ų | 126.9 | 76% | 0.764 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.5 | -11.3 | 179.8 | -174.4 | 0 | 0 | 0 | 0 | 112.2 | Q20 | Q20-V22 PolarHBondContact O-N 3.47Š|
| 23 | K | 55.8 | Low | 55.4 | Low | 189 Ų | 189 | 126.7 Ų | 126.7 | 82% | 0.822 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -97.3 | -10.7 | -176.1 | -82.8 | -174.4 | 175.1 | -179.1 | 0 | 116.3 | Q20 | Q20-K23 PolarHBondContact O-N 2.88Š|
| 24 | E | 54.9 | Low | 53.7 | Low | 174 Ų | 174 | 126.9 Ų | 126.9 | 81% | 0.813 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -103.9 | -6.1 | -175.7 | -82.9 | -175.9 | 153.3 | 0 | 0 | 115.5 | | |
| 25 | N | 47.3 | Very low | 51.7 | Low | 146 Ų | 146 | 130 Ų | 130 | 78% | 0.781 | 72% | 0.716 | S | S | * | * | | | trans | -109.7 | 40 | -176 | -64.7 | -23.6 | 0 | 0 | 0 | 113.6 | | |
| 26 | G | 42.1 | Very low | 49.6 | Very low | 56 Ų | 56 | 134 Ų | 134 | 58% | 0.577 | 73% | 0.731 | S | S | * | * | | | trans | -86.9 | 132.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | L28 | G26-L28 PolarHBondContact O-N 2.67Å; G26-L28 VanDerWaalsContact O-N 3.11Å |
| 27 | P | 38 | Very low | 47.6 | Very low | 119 Ų | 119 | 137.4 Ų | 137.4 | 77% | 0.773 | 74% | 0.738 | S | S | * | * | | | trans | -71.5 | 109.5 | -177.2 | 28.5 | -31 | 0 | 0 | 0 | 109.9 | I29 | P27-I29 VanDerWaalsContact C-N 3.31Å; P27-I29 PolarHBondContact O-N 2.74Å |
| 28 | L | 44.4 | Very low | 45.5 | Very low | 170 Ų | 170 | 140 Ų | 140 | 89% | 0.89 | 76% | 0.755 | S | S | * | * | | | trans | -77.4 | 86.4 | 173.3 | -134.6 | 123.8 | 0 | 0 | 0 | 108.9 | G26 G30 | G26-L28 PolarHBondContact O-N 2.67Å; G26-L28 VanDerWaalsContact O-N 3.11Å; L28-G30 PolarHBondContact O-N 3.47Å |
| 29 | I | 33.8 | Very low | 43.9 | Very low | 166 Ų | 166 | 138.5 Ų | 138.5 | 85% | 0.851 | 76% | 0.764 | S | S | * | * | | | trans | -64 | 111.3 | 161.3 | -62.9 | 169.1 | 0 | 0 | 0 | 106.6 | P27 | P27-I29 VanDerWaalsContact C-N 3.31Å; P27-I29 PolarHBondContact O-N 2.74Å |
| 30 | G | 33.8 | Very low | 42.2 | Very low | 56 Ų | 56 | 136.9 Ų | 136.9 | 58% | 0.577 | 77% | 0.773 | S | S | * | * | | | trans | 163.1 | 82 | 173.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | L28 | L28-G30 PolarHBondContact O-N 3.47Š|
| 31 | A | 33.3 | Very low | 41.2 | Very low | 93 Ų | 93 | 138.4 Ų | 138.4 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | | | trans | 81.1 | 130.5 | 136.9 | 0 | 0 | 0 | 0 | 0 | 121.1 | | |
| 32 | Q | 37.6 | Very low | 40.4 | Very low | 176 Ų | 176 | 136.1 Ų | 136.1 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | | | trans | 102.8 | 83.8 | 150.4 | -56.5 | -170.3 | 67 | 0 | 0 | 119 | | |
| 33 | T | 34.5 | Very low | 40.2 | Very low | 115 Ų | 115 | 135.1 Ų | 135.1 | 71% | 0.706 | 79% | 0.789 | S | S | * | * | | | | 29.8 | 118.1 | 116.3 | 59.7 | 0 | 0 | 0 | 0 | 118.1 | | |
| 34 | T | 41 | Very low | 39.4 | Very low | 128 Ų | 128 | 133.7 Ų | 133.7 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | | | | 174.1 | 127.7 | 93.8 | 34 | 0 | 0 | 0 | 0 | 112.8 | | |
| 35 | S | 38.8 | Very low | 39 | Very low | 114 Ų | 114 | 131 Ų | 131 | 80% | 0.797 | 79% | 0.79 | S | S | * | * | | | trans | 56.7 | 111.2 | 140.9 | 64 | 0 | 0 | 0 | 0 | 122.2 | | |
| 36 | I | 35.5 | Very low | 38.7 | Very low | 166 Ų | 166 | 132 Ų | 132 | 85% | 0.851 | 80% | 0.795 | S | S | * | * | | | trans | -56.1 | 139.8 | 154.9 | -61.4 | 158.1 | 0 | 0 | 0 | 111.6 | | |
| 37 | Q | 32.8 | Very low | 39.1 | Very low | 182 Ų | 182 | 135 Ų | 135 | 85% | 0.85 | 81% | 0.807 | S | S | * | * | | | trans | -150.7 | 113.8 | 153.4 | -150.9 | 165.6 | 20 | 0 | 0 | 111.4 | | |
| 38 | C | 34 | Very low | 39.4 | Very low | 122 Ų | 122 | 133.8 Ų | 133.8 | 82% | 0.824 | 80% | 0.802 | S | S | * | * | | | trans | -109.4 | 147.3 | 155.9 | -75.2 | 0 | 0 | 0 | 0 | 107.4 | | |
| 39 | P | 40 | Very low | 39.6 | Very low | 125 Ų | 125 | 132.8 Ų | 132.8 | 81% | 0.812 | 80% | 0.798 | S | S | * | * | | | trans | -128.6 | 158 | 152.9 | 27.9 | -9.8 | 0 | 0 | 0 | 114.1 | | |
| 40 | S | 37.3 | Very low | 40 | Very low | 106 Ų | 106 | 132.5 Ų | 132.5 | 74% | 0.741 | 80% | 0.798 | S | S | * | * | | | trans | -75.6 | 154.2 | -167.8 | 54.1 | 0 | 0 | 0 | 0 | 116.8 | | |
| 41 | E | 40 | Very low | 40.5 | Very low | 174 Ų | 174 | 133.6 Ų | 133.6 | 81% | 0.813 | 80% | 0.802 | S | S | * | * | | | trans | 19.2 | 151.1 | 133.1 | -47.5 | -169.4 | 141.9 | 0 | 0 | 122.4 | | |
| 42 | D | 38.9 | Very low | 40.8 | Very low | 155 Ų | 155 | 135.5 Ų | 135.5 | 83% | 0.829 | 81% | 0.806 | S | S | * | * | | | trans | 92.5 | 106.8 | 161.6 | -56.6 | -29.5 | 0 | 0 | 0 | 119.7 | | |
| 43 | A | 49.6 | Very low | 40.9 | Very low | 106 Ų | 106 | 133.8 Ų | 133.8 | 88% | 0.876 | 80% | 0.802 | S | S | * | * | | | | -178.7 | 127.3 | 122.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 44 | N | 39.7 | Very low | 41 | Very low | 159 Ų | 159 | 136.8 Ų | 136.8 | 85% | 0.85 | 81% | 0.81 | S | S | * | * | | | trans | -36.5 | 147.3 | 164.2 | -86.2 | -27.5 | 0 | 0 | 0 | 116.2 | | |
| 45 | S | 46.2 | Very low | 40.9 | Very low | 117 Ų | 117 | 136.6 Ų | 136.6 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | | | | 179.4 | 103.6 | 115 | -72.3 | 0 | 0 | 0 | 0 | 112.1 | | |
| 46 | D | 41 | Very low | 40.9 | Very low | 166 Ų | 166 | 139.9 Ų | 139.9 | 89% | 0.888 | 81% | 0.811 | S | S | * | * | | | | 16.6 | 117.2 | 127 | -140.7 | 4.4 | 0 | 0 | 0 | 119.4 | | |
| 47 | S | 51.2 | Low | 40.8 | Very low | 119 Ų | 119 | 135.3 Ų | 135.3 | 83% | 0.832 | 81% | 0.805 | S | S | * | * | | | | -171.3 | 140.6 | 124.8 | 84.5 | 0 | 0 | 0 | 0 | 112.4 | | |
| 48 | S | 43.8 | Very low | 41 | Very low | 95 Ų | 95 | 136.2 Ų | 136.2 | 66% | 0.664 | 81% | 0.806 | S | S | * | * | | | trans | -72.2 | 154.8 | -179.4 | 60.7 | 0 | 0 | 0 | 0 | 114.4 | | |
| 49 | D | 50 | Low | 41.2 | Very low | 149 Ų | 149 | 136.8 Ų | 136.8 | 80% | 0.797 | 81% | 0.806 | S | S | * | * | | | | 172.6 | 146.1 | 116.4 | -84.5 | -9.3 | 0 | 0 | 0 | 112.7 | | |
| 50 | D | 41.3 | Very low | 41.3 | Very low | 160 Ų | 160 | 139.8 Ų | 139.8 | 86% | 0.856 | 81% | 0.806 | S | S | * | * | | | trans | -32.7 | 132.9 | -178.4 | -68.8 | -58.7 | 0 | 0 | 0 | 119.9 | | |
| 51 | A | 44.7 | Very low | 41.2 | Very low | 79 Ų | 79 | 141.4 Ų | 141.4 | 65% | 0.653 | 81% | 0.812 | S | S | * | * | | | | 171.6 | 144.7 | 125.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | L53 | A51-L53 PolarHBondContact O-N 3.39Š|
| 52 | P | 38.5 | Very low | 41.2 | Very low | 132 Ų | 132 | 138.6 Ų | 138.6 | 86% | 0.857 | 81% | 0.806 | S | S | * | * | | | trans | -86 | 97.3 | -178.6 | 34.2 | -29 | 0 | 0 | 0 | 109.9 | | |
| 53 | L | 39.6 | Very low | 41.3 | Very low | 141 Ų | 141 | 139.4 Ų | 139.4 | 74% | 0.738 | 81% | 0.805 | S | S | * | * | | | trans | -112.6 | 107.4 | 175.5 | -105 | 149.9 | 0 | 0 | 0 | 111 | A51 T55 | A51-L53 PolarHBondContact O-N 3.39Å; L53-T55 PolarHBondContact O-N 3.47Å |
| 54 | M | 37.3 | Very low | 41 | Very low | 178 Ų | 178 | 141.9 Ų | 141.9 | 88% | 0.877 | 80% | 0.804 | S | S | * | * | | | trans | -30 | 104.2 | 158 | -74.8 | -83.2 | 149.6 | 0 | 0 | 110.8 | | |
| 55 | T | 39 | Very low | 41.1 | Very low | 124 Ų | 124 | 140.1 Ų | 140.1 | 76% | 0.761 | 79% | 0.793 | S | S | * | * | | | trans | -127.2 | 112.7 | 170.9 | 45.6 | 0 | 0 | 0 | 0 | 108.6 | L53 G57 | L53-T55 PolarHBondContact O-N 3.47Å; T55-G57 PolarHBondContact O-N 2.86Å |
| 56 | H | 38.6 | Very low | 41.5 | Very low | 182 Ų | 182 | 140.6 Ų | 140.6 | 84% | 0.843 | 78% | 0.782 | S | S | * | * | | | trans | -42.7 | 119.6 | 172.4 | -62.5 | -90.5 | 0 | 0 | 0 | 109.9 | K58 | H56-K58 PolarHBondContact O-N 2.87Š|
| 57 | G | 34.5 | Very low | 42.2 | Very low | 71 Ų | 71 | 141.3 Ų | 141.3 | 73% | 0.732 | 77% | 0.772 | S | S | * | * | | | trans | -57 | 104.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | T55 V59 | T55-G57 PolarHBondContact O-N 2.86Å; G57-V59 VanDerWaalsContact C-N 3.32Å; G57-V59 PolarHBondContact O-N 3.13Å |
| 58 | K | 36.1 | Very low | 42.5 | Very low | 201 Ų | 201 | 145 Ų | 145 | 87% | 0.874 | 77% | 0.768 | S | S | * | * | | | trans | -63.5 | 97.2 | 163.9 | -75.4 | -178.9 | 175.7 | 177.2 | 0 | 107.1 | H56 K60 | H56-K58 PolarHBondContact O-N 2.87Å; K58-K60 PolarHBondContact O-N 2.94Å; K58-K60 VanDerWaalsContact O-N 3.11Å |
| 59 | V | 38 | Very low | 43 | Very low | 133 Ų | 133 | 147.4 Ų | 147.4 | 81% | 0.806 | 77% | 0.767 | S | S | * | * | | | trans | -63.1 | 111.6 | 165.6 | -178.9 | 0 | 0 | 0 | 0 | 106.2 | G57 T61 | G57-V59 VanDerWaalsContact C-N 3.32Å; G57-V59 PolarHBondContact O-N 3.13Å; V59-T61 PolarHBondContact O-N 3.33Å |
| 60 | K | 42.5 | Very low | 43.1 | Very low | 188 Ų | 188 | 144.1 Ų | 144.1 | 82% | 0.817 | 76% | 0.76 | S | S | * | * | | | trans | -56.9 | 120.3 | 170.2 | -78.1 | 175.5 | 174.4 | 175.8 | 0 | 107.5 | K58 V62 | K58-K60 PolarHBondContact O-N 2.94Å; K58-K60 VanDerWaalsContact O-N 3.11Å; K60-V62 PolarHBondContact O-N 3.41Å |
| 61 | T | 34.8 | Very low | 44.1 | Very low | 141 Ų | 141 | 142 Ų | 142 | 87% | 0.865 | 76% | 0.755 | S | S | * | * | | | trans | -50.5 | 106.7 | 169.2 | -36.3 | 0 | 0 | 0 | 0 | 107.7 | V59 Q63 | V59-T61 PolarHBondContact O-N 3.33Å; T61-Q63 PolarHBondContact O-N 3.48Å; T61-Q63 VanDerWaalsContact O-N 3.14Å |
| 62 | V | 40.9 | Very low | 45.1 | Very low | 115 Ų | 115 | 146.7 Ų | 146.7 | 70% | 0.697 | 76% | 0.764 | S | S | * | * | | | trans | -64.3 | 115.1 | 167.7 | 175.3 | 0 | 0 | 0 | 0 | 104.5 | K60 D64 | K60-V62 PolarHBondContact O-N 3.41Å; V62-D64 PolarHBondContact O-N 3.32Å |
| 63 | Q | 40.7 | Very low | 45.5 | Very low | 171 Ų | 171 | 149.9 Ų | 149.9 | 80% | 0.799 | 76% | 0.764 | S | S | * | * | | | trans | -40.5 | 125.1 | 170.4 | -136.5 | 167.1 | 15.6 | 0 | 0 | 108.1 | T61 I65 | T61-Q63 PolarHBondContact O-N 3.48Å; T61-Q63 VanDerWaalsContact O-N 3.14Å; Q63-I65 VanDerWaalsContact C-N 3.27Å; Q63-I65 WeakPolarHBondContact O-CG1 3.42Å; Q63-I65 PolarHBondContact O-N 3.39Å |
| 64 | D | 42 | Very low | 46.2 | Very low | 159 Ų | 159 | 149.6 Ų | 149.6 | 85% | 0.85 | 76% | 0.762 | S | S | * | * | | | trans | -53.9 | 93.5 | 176 | -77.6 | -41.6 | 0 | 0 | 0 | 108.9 | V62 E66 | V62-D64 PolarHBondContact O-N 3.32Å; D64-E66 PolarHBondContact O-N 2.91Å |
| 65 | I | 43.5 | Very low | 46.6 | Very low | 121 Ų | 121 | 144.6 Ų | 144.6 | 62% | 0.621 | 74% | 0.743 | S | S | * | * | | | trans | -67.7 | 133.1 | 172.5 | -66.4 | 170 | 0 | 0 | 0 | 105.2 | Q63 W67 | Q63-I65 VanDerWaalsContact C-N 3.27Å; Q63-I65 WeakPolarHBondContact O-CG1 3.42Å; Q63-I65 PolarHBondContact O-N 3.39Å; I65-W67 PolarHBondContact O-N 3.2Å; I65-W67 PolarHBondContact O-NE1 3.43Å |
| 66 | E | 54.3 | Low | 47.1 | Very low | 127 Ų | 127 | 150.1 Ų | 150.1 | 59% | 0.593 | 75% | 0.75 | S | S | * | * | | | trans | -77.1 | 63.1 | -170.3 | -164.3 | 175.1 | -154.4 | 0 | 0 | 111.1 | D64 W68 K69 | D64-E66 PolarHBondContact O-N 2.91Å; E66-W68 PolarHBondContact O-N 3.04Å; E66-W68 VanDerWaalsContact O-N 3.16Å; E66-K69 VanDerWaalsContact CD-NZ 3.33Å; E66-K69 HydrophobicContact CG-CD 4.1Å; E66-K69 HydrophobicContact CG-CG 4.17Å; E66-K69 WeakPolarHBondContact OE1-CD 3.47Å; E66-K69 WeakPolarHBondContact OE1-CE 3.34Å; E66-K69 IonicContact OE1-NZ 3.8Å; E66-K69 PolarHBondContact OE1-NZ 2.96Å; E66-K69 IonicContact OE2-NZ 3.03Å; E66-K69 PolarHBondContact OE2-NZ 3.3Å |
| 67 | W | 56 | Low | 47.6 | Very low | 181 Ų | 181 | 146.5 Ų | 146.5 | 69% | 0.686 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | 7.8 | -175.3 | 45.9 | -89.5 | 0 | 0 | 0 | 114.4 | I65 | I65-W67 PolarHBondContact O-N 3.2Å; I65-W67 PolarHBondContact O-NE1 3.43Å |
| 68 | W | 56.2 | Low | 47.8 | Very low | 196 Ų | 196 | 149.2 Ų | 149.2 | 74% | 0.742 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.6 | -2 | -177.3 | -48.9 | 98.3 | 0 | 0 | 0 | 114.5 | E66 A70 | E66-W68 PolarHBondContact O-N 3.04Å; E66-W68 VanDerWaalsContact O-N 3.16Å; W68-A70 PolarHBondContact O-N 2.96Å; W68-A70 VanDerWaalsContact O-N 3.16Å |
| 69 | K | 54.7 | Low | 48.1 | Very low | 146 Ų | 146 | 148.1 Ų | 148.1 | 64% | 0.635 | 74% | 0.74 | S | S | * | * | | | trans | -75.8 | 105.8 | 172.7 | -91.7 | -177.3 | 176 | 157.5 | 0 | 109.5 | E66 | E66-K69 VanDerWaalsContact CD-NZ 3.33Å; E66-K69 HydrophobicContact CG-CD 4.1Å; E66-K69 HydrophobicContact CG-CG 4.17Å; E66-K69 WeakPolarHBondContact OE1-CD 3.47Å; E66-K69 WeakPolarHBondContact OE1-CE 3.34Å; E66-K69 IonicContact OE1-NZ 3.8Å; E66-K69 PolarHBondContact OE1-NZ 2.96Å; E66-K69 IonicContact OE2-NZ 3.03Å; E66-K69 PolarHBondContact OE2-NZ 3.3Å |
| 70 | A | 51.6 | Low | 48.1 | Very low | 80 Ų | 80 | 147.7 Ų | 147.7 | 66% | 0.661 | 74% | 0.738 | S | S | * | * | | | trans | -51.9 | 144.2 | 165.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | W68 E72 | W68-A70 PolarHBondContact O-N 2.96Å; W68-A70 VanDerWaalsContact O-N 3.16Å; A70-E72 PolarHBondContact O-N 3.49Å; A70-E72 VanDerWaalsContact O-N 3.13Å |
| 71 | P | 63.6 | Low | 48 | Very low | 115 Ų | 115 | 145.3 Ų | 145.3 | 75% | 0.747 | 74% | 0.739 | S | S | * | * | | | trans | -54.8 | 122.8 | 172.5 | -19.1 | 30 | 0 | 0 | 0 | 108.8 | F73 | P71-F73 PolarHBondContact O-N 3.19Š|
| 72 | E | 65.3 | Low | 48.6 | Very low | 179 Ų | 179 | 146.4 Ų | 146.4 | 84% | 0.836 | 74% | 0.738 | S | S | * | * | | | trans | -55 | 111.4 | 174 | -75.7 | -177.5 | 167.6 | 0 | 0 | 108.6 | A70 I74 | A70-E72 PolarHBondContact O-N 3.49Å; A70-E72 VanDerWaalsContact O-N 3.13Å; E72-I74 PolarHBondContact O-N 2.95Å |
| 73 | F | 45.8 | Very low | 48.3 | Very low | 199 Ų | 199 | 148.7 Ų | 148.7 | 87% | 0.873 | 75% | 0.747 | S | S | * | * | | | trans | -69.7 | 100.3 | 172.8 | -108 | -96.1 | 0 | 0 | 0 | 107.8 | P71 P75 | P71-F73 PolarHBondContact O-N 3.19Å; F73-P75 VanDerWaalsContact O-CD 3.27Å; F73-P75 WeakPolarHBondContact O-CD 3.46Å |
| 74 | I | 54.6 | Low | 48.2 | Very low | 135 Ų | 135 | 144 Ų | 144 | 69% | 0.692 | 74% | 0.744 | S | S | * | * | | | trans | -75.3 | 115.1 | 169.1 | -58.4 | 173.9 | 0 | 0 | 0 | 107.2 | E72 R76 | E72-I74 PolarHBondContact O-N 2.95Å; I74-R76 PolarHBondContact O-N 3.47Å |
| 75 | P | 45.2 | Very low | 48 | Very low | 73 Ų | 73 | 145.8 Ų | 145.8 | 47% | 0.474 | 75% | 0.747 | S | S | . | * | | | trans | -60.6 | 126.4 | 174.7 | -17.9 | 31.1 | 0 | 0 | 0 | 108.9 | F73 S77 L78 | F73-P75 VanDerWaalsContact O-CD 3.27Å; F73-P75 WeakPolarHBondContact O-CD 3.46Å; P75-S77 WeakPolarHBondContact CB-OG 3.26Å; P75-S77 PolarHBondContact O-N 3.37Å; P75-L78 PolarHBondContact O-N 3.31Å |
| 76 | R | 49.8 | Very low | 47.6 | Very low | 240 Ų | 240 | 144.5 Ų | 144.5 | 91% | 0.906 | 76% | 0.755 | S | S | * | * | G | 310 helix | trans | -61.8 | -3.6 | 177.2 | -65.8 | -174.7 | 178.3 | -153.9 | 0.5 | 113.6 | I74 L78 | I74-R76 PolarHBondContact O-N 3.47Å; R76-L78 VanDerWaalsContact C-N 3.34Å |
| 77 | S | 49.2 | Very low | 47.2 | Very low | 106 Ų | 106 | 144 Ų | 144 | 74% | 0.741 | 76% | 0.763 | S | S | * | * | G | 310 helix | trans | -80.1 | -6.2 | 176.7 | 53.3 | 0 | 0 | 0 | 0 | 114.7 | P75 | P75-S77 WeakPolarHBondContact CB-OG 3.26Å; P75-S77 PolarHBondContact O-N 3.37Å |
| 78 | L | 40.1 | Very low | 46.6 | Very low | 127 Ų | 127 | 140.3 Ų | 140.3 | 67% | 0.665 | 76% | 0.762 | S | S | * | * | G | 310 helix | trans | -110.4 | 26.3 | 178.4 | -71 | 173.7 | 0 | 0 | 0 | 114.2 | P75 R76 T80 | P75-L78 PolarHBondContact O-N 3.31Å; R76-L78 VanDerWaalsContact C-N 3.34Å; L78-T80 PolarHBondContact O-N 2.97Å |
| 79 | Q | 40.9 | Very low | 45.7 | Very low | 179 Ų | 179 | 136 Ų | 136 | 84% | 0.836 | 76% | 0.762 | S | S | * | * | | | trans | -76.8 | 76.8 | 159.8 | -96.7 | 177.4 | 5.9 | 0 | 0 | 109.3 | V81 | Q79-V81 PolarHBondContact O-N 3.02Å; Q79-V81 VanDerWaalsContact O-N 3.13Å |
| 80 | T | 39.7 | Very low | 45 | Very low | 123 Ų | 123 | 133.5 Ų | 133.5 | 76% | 0.755 | 76% | 0.763 | S | S | * | * | | | trans | -63.3 | 110.2 | 160.4 | 40.1 | 0 | 0 | 0 | 0 | 107.9 | L78 L82 | L78-T80 PolarHBondContact O-N 2.97Å; T80-L82 PolarHBondContact O-N 3.06Å; T80-L82 VanDerWaalsContact O-N 3.16Å |
| 81 | V | 40.3 | Very low | 44.5 | Very low | 139 Ų | 139 | 138 Ų | 138 | 84% | 0.842 | 77% | 0.77 | S | S | * | * | | | trans | -46.4 | 117.3 | 167.1 | 174.4 | 0 | 0 | 0 | 0 | 108 | Q79 | Q79-V81 PolarHBondContact O-N 3.02Å; Q79-V81 VanDerWaalsContact O-N 3.13Å |
| 82 | L | 46.3 | Very low | 43.4 | Very low | 163 Ų | 163 | 138.7 Ų | 138.7 | 85% | 0.853 | 77% | 0.767 | S | S | * | * | | | trans | -65.4 | 131.6 | 179 | -150.8 | 95.7 | 0 | 0 | 0 | 109.2 | T80 | T80-L82 PolarHBondContact O-N 3.06Å; T80-L82 VanDerWaalsContact O-N 3.16Å |
| 83 | D | 35.8 | Very low | 42.1 | Very low | 164 Ų | 164 | 136.8 Ų | 136.8 | 88% | 0.877 | 76% | 0.761 | S | S | * | * | | | trans | -45 | 132.6 | -179.9 | -71.3 | -60.6 | 0 | 0 | 0 | 114.5 | | |
| 84 | G | 37.2 | Very low | 41.7 | Very low | 71 Ų | 71 | 133 Ų | 133 | 73% | 0.732 | 76% | 0.758 | S | S | * | * | | | trans | -151.2 | 85.5 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 85 | E | 37.6 | Very low | 40.8 | Very low | 197 Ų | 197 | 130.8 Ų | 130.8 | 92% | 0.921 | 76% | 0.76 | S | S | * | * | | | trans | 48.5 | 105.1 | 156.3 | -64.5 | -174.6 | 132.8 | 0 | 0 | 119.4 | | |
| 86 | A | 36.5 | Very low | 40.5 | Very low | 95 Ų | 95 | 132.7 Ų | 132.7 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | | | trans | -79.7 | -180 | 150 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 87 | P | 45.6 | Very low | 40 | Very low | 117 Ų | 117 | 127.5 Ų | 127.5 | 76% | 0.76 | 77% | 0.768 | S | S | * | * | | | cis | -140.1 | -151.1 | -6.2 | 43.6 | -22.8 | 0 | 0 | 0 | 110.2 | | |
| 88 | P | 42.5 | Very low | 39.6 | Very low | 103 Ų | 103 | 128.3 Ų | 128.3 | 67% | 0.669 | 77% | 0.768 | S | S | * | * | | | cis | -132.8 | 158.7 | -14.7 | 40.5 | -22.9 | 0 | 0 | 0 | 115.9 | | |
| 89 | S | 37.1 | Very low | 39.7 | Very low | 105 Ų | 105 | 127.6 Ų | 127.6 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | | | trans | 57.1 | 141.2 | 134.4 | 68.1 | 0 | 0 | 0 | 0 | 123.8 | | |
| 90 | S | 39.7 | Very low | 39.6 | Very low | 94 Ų | 94 | 129.2 Ų | 129.2 | 66% | 0.657 | 77% | 0.771 | S | S | * | * | | | trans | 91.2 | 106.7 | 152.2 | 78.4 | 0 | 0 | 0 | 0 | 118.2 | | |
| 91 | E | 41.6 | Very low | 39.7 | Very low | 174 Ų | 174 | 130.8 Ų | 130.8 | 81% | 0.813 | 77% | 0.774 | S | S | * | * | | | | 50.5 | 120.3 | 119.6 | -61.7 | 164.2 | -179.3 | 0 | 0 | 114.4 | | |
| 92 | D | 41.4 | Very low | 39.7 | Very low | 130 Ų | 130 | 129.2 Ų | 129.2 | 70% | 0.695 | 77% | 0.768 | S | S | * | * | | | | 171.8 | 150.1 | 52.2 | -118.9 | -18.9 | 0 | 0 | 0 | 108.6 | | |
| 93 | I | 36.7 | Very low | 39.5 | Very low | 138 Ų | 138 | 127.9 Ų | 127.9 | 71% | 0.708 | 77% | 0.767 | S | S | * | * | | | trans | 80.9 | 112.1 | 137 | -61.5 | 165.3 | 0 | 0 | 0 | 121.1 | | |
| 94 | C | 37.3 | Very low | 39.6 | Very low | 120 Ų | 120 | 128.6 Ų | 128.6 | 81% | 0.811 | 77% | 0.765 | S | S | * | * | | | trans | 74.2 | 110.8 | 138.8 | -75.7 | 0 | 0 | 0 | 0 | 123 | | |
| 95 | A | 36.3 | Very low | 39.8 | Very low | 88 Ų | 88 | 130.3 Ų | 130.3 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | | | trans | -62.8 | 176.9 | 136.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 96 | P | 39 | Very low | 39.9 | Very low | 114 Ų | 114 | 128.5 Ų | 128.5 | 74% | 0.74 | 76% | 0.757 | S | S | * | * | | | cis | -146.4 | -164.3 | 16 | 34.4 | -8.7 | 0 | 0 | 0 | 115.1 | | |
| 97 | T | 40.2 | Very low | 39.8 | Very low | 130 Ų | 130 | 131.7 Ų | 131.7 | 80% | 0.798 | 76% | 0.756 | S | S | * | * | | | trans | 114.7 | 105 | 145.6 | -32 | 0 | 0 | 0 | 0 | 117.8 | | |
| 98 | V | 39.8 | Very low | 39.4 | Very low | 124 Ų | 124 | 130.3 Ų | 130.3 | 75% | 0.752 | 75% | 0.754 | S | S | * | * | | | trans | -70.9 | 165.1 | 159.4 | -140.9 | 0 | 0 | 0 | 0 | 109.4 | | |
| 99 | P | 42.7 | Very low | 39.4 | Very low | 111 Ų | 111 | 131.6 Ų | 131.6 | 72% | 0.721 | 76% | 0.755 | S | S | * | * | | | cis | -158.6 | 167.2 | 49.5 | 37.9 | -11.9 | 0 | 0 | 0 | 120.5 | | |
| 100 | Y | 38.6 | Very low | 39.5 | Very low | 214 Ų | 214 | 134.7 Ų | 134.7 | 84% | 0.839 | 76% | 0.755 | S | S | * | * | | | trans | 35.6 | 133.3 | 145.5 | -82.4 | -94.5 | 0 | 0 | 0 | 125 | | |
| 101 | D | 42.1 | Very low | 39.5 | Very low | 155 Ų | 155 | 134.5 Ų | 134.5 | 83% | 0.829 | 75% | 0.754 | S | S | * | * | | | | -168.6 | 119.1 | 128.9 | -97.2 | -27.7 | 0 | 0 | 0 | 110.3 | | |
| 102 | C | 40.4 | Very low | 39.7 | Very low | 106 Ų | 106 | 133.6 Ų | 133.6 | 72% | 0.716 | 75% | 0.749 | S | S | * | * | | | | 69.1 | 122 | 99.9 | -125.6 | 0 | 0 | 0 | 0 | 113.2 | | |
| 103 | V | 42 | Very low | 39.5 | Very low | 135 Ų | 135 | 133.9 Ų | 133.9 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | | | | -172.7 | 156.4 | 50.7 | -96.8 | 0 | 0 | 0 | 0 | 111.7 | | |
| 104 | E | 37.1 | Very low | 39.7 | Very low | 179 Ų | 179 | 132.1 Ų | 132.1 | 84% | 0.836 | 75% | 0.751 | S | S | * | * | | | trans | -63.8 | 154.5 | 173.9 | -69.2 | 163.1 | 125.7 | 0 | 0 | 115.9 | | |
| 105 | S | 41.7 | Very low | 39.9 | Very low | 107 Ų | 107 | 137.6 Ų | 137.6 | 75% | 0.748 | 76% | 0.756 | S | S | * | * | | | | 162.1 | 118.3 | 113.8 | -70.9 | 0 | 0 | 0 | 0 | 113.8 | | |
| 106 | E | 38.9 | Very low | 40.2 | Very low | 160 Ų | 160 | 136.7 Ų | 136.7 | 75% | 0.748 | 76% | 0.755 | S | S | * | * | | | | 55.4 | 129.7 | 129.2 | -63.9 | -159.1 | 172.3 | 0 | 0 | 124.6 | | |
| 107 | Q | 35.8 | Very low | 40.1 | Very low | 162 Ų | 162 | 138.9 Ų | 138.9 | 76% | 0.757 | 76% | 0.761 | S | S | * | * | | | trans | 91.8 | 128.2 | 133.4 | -79.3 | 174.8 | 38.3 | 0 | 0 | 121.1 | | |
| 108 | A | 37.5 | Very low | 40.5 | Very low | 87 Ų | 87 | 140.2 Ų | 140.2 | 72% | 0.719 | 76% | 0.762 | S | S | * | * | | | trans | 79.2 | 142.5 | 147.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 109 | L | 41.3 | Very low | 40.8 | Very low | 131 Ų | 131 | 140.9 Ų | 140.9 | 69% | 0.686 | 76% | 0.761 | S | S | * | * | | | cis | 177.6 | 160.3 | 5.3 | -119.5 | 169.5 | 0 | 0 | 0 | 105.3 | | |
| 110 | F | 39.4 | Very low | 40.5 | Very low | 170 Ų | 170 | 148 Ų | 148 | 75% | 0.746 | 77% | 0.774 | S | S | * | * | | | trans | 80.1 | 116.6 | 167 | -55.4 | -71.4 | 0 | 0 | 0 | 117.3 | | |
| 111 | S | 39.7 | Very low | 40.5 | Very low | 89 Ų | 89 | 142.3 Ų | 142.3 | 62% | 0.622 | 77% | 0.765 | S | S | * | * | | | cis | 110 | 123.6 | 35.5 | -76.7 | 0 | 0 | 0 | 0 | 110.1 | | |
| 112 | H | 45.1 | Very low | 40.5 | Very low | 155 Ų | 155 | 142.8 Ų | 142.8 | 72% | 0.718 | 77% | 0.767 | S | S | * | * | | | | 140.5 | 108.2 | 126.3 | -81.6 | -68.2 | 0 | 0 | 0 | 113.7 | | |
| 113 | D | 37.3 | Very low | 40.5 | Very low | 136 Ų | 136 | 142.6 Ų | 142.6 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | | | | 53.9 | 131.4 | 122.8 | -52.6 | -19.1 | 0 | 0 | 0 | 120.7 | | |
| 114 | S | 42.4 | Very low | 40.3 | Very low | 101 Ų | 101 | 143.5 Ų | 143.5 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | | | | 173.8 | 116.8 | 108.3 | -175.9 | 0 | 0 | 0 | 0 | 114 | | |
| 115 | Y | 41.5 | Very low | 40.4 | Very low | 236 Ų | 236 | 145.6 Ų | 145.6 | 93% | 0.925 | 77% | 0.774 | S | S | * | * | | | trans | 60.3 | 137.9 | 142 | -73.6 | -109.1 | 0 | 0 | 0 | 120.6 | | |
| 116 | G | 42 | Very low | 40.3 | Very low | 68 Ų | 68 | 149 Ų | 149 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | | | cis | -170.7 | 134 | 2.2 | 0 | 0 | 0 | 0 | 0 | 107.2 | | |
| 117 | D | 36.8 | Very low | 40 | Very low | 161 Ų | 161 | 146.6 Ų | 146.6 | 86% | 0.861 | 78% | 0.783 | S | S | * | * | | | | 67.2 | 101.3 | 87.1 | -155.1 | 18.4 | 0 | 0 | 0 | 114.5 | | |
| 118 | L | 49 | Very low | 40.3 | Very low | 158 Ų | 158 | 146.6 Ų | 146.6 | 83% | 0.827 | 79% | 0.785 | S | S | * | * | | | trans | -171.8 | 122.6 | 143 | -100.8 | 153.4 | 0 | 0 | 0 | 111 | | |
| 119 | D | 44.8 | Very low | 40.1 | Very low | 138 Ų | 138 | 147.5 Ų | 147.5 | 74% | 0.738 | 79% | 0.786 | S | S | * | * | | | trans | 76.9 | 64.5 | 160.6 | -66.5 | -25.5 | 0 | 0 | 0 | 121.1 | S121 | D119-S121 PolarHBondContact O-N 3.45Š|
| 120 | R | 37.6 | Very low | 40 | Very low | 259 Ų | 259 | 147.7 Ų | 147.7 | 98% | 0.977 | 79% | 0.793 | S | S | * | * | | | trans | -77.2 | 91 | 138.2 | -89.7 | 176.4 | 162 | 177.4 | -4.9 | 109.7 | | |
| 121 | S | 38.3 | Very low | 40 | Very low | 95 Ų | 95 | 144.6 Ų | 144.6 | 66% | 0.664 | 79% | 0.79 | S | S | * | * | | | trans | -154.3 | 80.7 | 165.7 | 169 | 0 | 0 | 0 | 0 | 110.1 | D119 | D119-S121 PolarHBondContact O-N 3.45Š|
| 122 | L | 42.3 | Very low | 39.8 | Very low | 165 Ų | 165 | 147.5 Ų | 147.5 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -179.2 | 0.8 | 157.5 | -103 | 158.3 | 0 | 0 | 0 | 113.3 | D124 | L122-D124 VanDerWaalsContact C-N 3.31Å; L122-D124 PolarHBondContact O-N 3.39Å |
| 123 | A | 39.3 | Very low | 39.4 | Very low | 102 Ų | 102 | 147.9 Ų | 147.9 | 84% | 0.843 | 80% | 0.803 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87 | 65.4 | 169 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 124 | D | 39.6 | Very low | 39.7 | Very low | 155 Ų | 155 | 145.5 Ų | 145.5 | 83% | 0.829 | 79% | 0.794 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -164.2 | 21.1 | 166.5 | -124.9 | -4.1 | 0 | 0 | 0 | 116.9 | L122 | L122-D124 VanDerWaalsContact C-N 3.31Å; L122-D124 PolarHBondContact O-N 3.39Å |
| 125 | R | 39.1 | Very low | 39.9 | Very low | 223 Ų | 223 | 146.7 Ų | 146.7 | 84% | 0.842 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -134.1 | 12.3 | -175.3 | -67.9 | -162.9 | 75.2 | 176.8 | 2.5 | 118.9 | | |
| 126 | L | 39.5 | Very low | 39.8 | Very low | 179 Ų | 179 | 143.1 Ų | 143.1 | 94% | 0.937 | 79% | 0.79 | S | S | * | * | | | trans | -134 | 43.5 | 169 | -65.9 | 174.6 | 0 | 0 | 0 | 112.8 | | |
| 127 | S | 32.6 | Very low | 39.7 | Very low | 108 Ų | 108 | 145.6 Ų | 145.6 | 76% | 0.755 | 80% | 0.797 | S | S | * | * | | | trans | -101.4 | 71.9 | 158.4 | -70.1 | 0 | 0 | 0 | 0 | 108.4 | | |
| 128 | M | 40.6 | Very low | 40 | Very low | 163 Ų | 163 | 145.8 Ų | 145.8 | 80% | 0.803 | 80% | 0.796 | S | S | * | * | | | trans | -122.5 | 88.4 | 166.4 | -73.8 | -75.3 | 110.7 | 0 | 0 | 107.7 | T130 | M128-T130 PolarHBondContact O-N 3.31Š|
| 129 | S | 33.3 | Very low | 39.4 | Very low | 105 Ų | 105 | 140.9 Ų | 140.9 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | | | trans | -4.6 | 102.7 | 150.2 | 46.5 | 0 | 0 | 0 | 0 | 115.4 | P131 | S129-P131 WeakPolarHBondContact O-CD 3.49Š|
| 130 | T | 39.3 | Very low | 39.4 | Very low | 135 Ų | 135 | 141 Ų | 141 | 83% | 0.828 | 78% | 0.783 | S | S | * | * | | | trans | -77.9 | 117.8 | 150.1 | 33.5 | 0 | 0 | 0 | 0 | 107.8 | M128 | M128-T130 PolarHBondContact O-N 3.31Š|
| 131 | P | 40.7 | Very low | 39.6 | Very low | 105 Ų | 105 | 134.6 Ų | 134.6 | 68% | 0.682 | 78% | 0.775 | S | S | * | * | | | trans | -72.9 | 138 | 178.7 | 29.3 | -31.8 | 0 | 0 | 0 | 109.9 | S129 L133 | S129-P131 WeakPolarHBondContact O-CD 3.49Å; P131-L133 PolarHBondContact O-N 2.97Å |
| 132 | I | 35.6 | Very low | 39.7 | Very low | 151 Ų | 151 | 141.1 Ų | 141.1 | 77% | 0.774 | 79% | 0.785 | S | S | * | * | | | trans | -53.1 | 104.6 | 162.5 | -64.2 | 166.7 | 0 | 0 | 0 | 107.8 | T134 | I132-T134 VanDerWaalsContact C-N 3.27Å; I132-T134 HydrophobicContact CG2-CG2 4.02Å; I132-T134 PolarHBondContact O-N 3.27Å; I132-T134 VanDerWaalsContact O-N 3.07Å |
| 133 | L | 35.6 | Very low | 39.7 | Very low | 163 Ų | 163 | 141.2 Ų | 141.2 | 85% | 0.853 | 79% | 0.786 | S | S | * | * | | | trans | -80 | 82.9 | 166.9 | -98.6 | 154.8 | 0 | 0 | 0 | 108.4 | P131 | P131-L133 PolarHBondContact O-N 2.97Š|
| 134 | T | 43.4 | Very low | 39.8 | Very low | 86 Ų | 86 | 143.6 Ų | 143.6 | 53% | 0.528 | 78% | 0.783 | S | S | . | * | P | Polyproline II helix | trans | -70.9 | 132.3 | 155.5 | 31 | 0 | 0 | 0 | 0 | 108.1 | I132 H136 | I132-T134 VanDerWaalsContact C-N 3.27Å; I132-T134 HydrophobicContact CG2-CG2 4.02Å; I132-T134 PolarHBondContact O-N 3.27Å; I132-T134 VanDerWaalsContact O-N 3.07Å; T134-H136 PolarHBondContact O-N 3.49Å; T134-H136 VanDerWaalsContact O-N 3.09Å; T134-H136 PolarHBondContact O-ND1 2.97Å |
| 135 | P | 47.2 | Very low | 39.8 | Very low | 125 Ų | 125 | 143.1 Ų | 143.1 | 81% | 0.812 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 117.7 | 168.6 | 25.7 | -29.6 | 0 | 0 | 0 | 108.2 | S137 | P135-S137 PolarHBondContact O-N 3.5Š|
| 136 | H | 39.7 | Very low | 39.9 | Very low | 161 Ų | 161 | 137.4 Ų | 137.4 | 75% | 0.745 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 127.4 | 179.4 | -79.2 | 23.1 | 0 | 0 | 0 | 111.4 | T134 I138 | T134-H136 PolarHBondContact O-N 3.49Å; T134-H136 VanDerWaalsContact O-N 3.09Å; T134-H136 PolarHBondContact O-ND1 2.97Å; H136-I138 PolarHBondContact O-N 3.43Å; H136-I138 VanDerWaalsContact O-N 3.11Å |
| 137 | S | 39.7 | Very low | 40.1 | Very low | 120 Ų | 120 | 139.9 Ų | 139.9 | 84% | 0.839 | 78% | 0.778 | S | S | * | * | | | trans | -61.4 | 103.5 | 156.7 | -53.5 | 0 | 0 | 0 | 0 | 108.8 | P135 G139 | P135-S137 PolarHBondContact O-N 3.5Å; S137-G139 PolarHBondContact O-N 3.09Å |
| 138 | I | 43.8 | Very low | 40.5 | Very low | 165 Ų | 165 | 140.4 Ų | 140.4 | 85% | 0.846 | 78% | 0.779 | S | S | * | * | | | trans | -70.8 | 108.2 | 171.4 | -68 | 171.2 | 0 | 0 | 0 | 108.1 | H136 | H136-I138 PolarHBondContact O-N 3.43Å; H136-I138 VanDerWaalsContact O-N 3.11Å |
| 139 | G | 36.5 | Very low | 40.5 | Very low | 56 Ų | 56 | 137.2 Ų | 137.2 | 58% | 0.577 | 78% | 0.779 | S | S | * | * | | | trans | -81.3 | 130.8 | 163.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | S137 | S137-G139 PolarHBondContact O-N 3.09Š|
| 140 | I | 43.8 | Very low | 41.3 | Very low | 140 Ų | 140 | 138 Ų | 138 | 72% | 0.718 | 78% | 0.781 | S | S | * | * | | | trans | 51 | 133.4 | 137.5 | -46.9 | 172.5 | 0 | 0 | 0 | 117.9 | R142 | I140-R142 HydrophobicContact CG2-CB 4.45Å; I140-R142 HydrophobicContact CG2-CG 3.9Å |
| 141 | P | 41.4 | Very low | 41.4 | Very low | 124 Ų | 124 | 136 Ų | 136 | 81% | 0.805 | 78% | 0.778 | S | S | * | * | | | | -118.9 | 127.6 | 121.6 | 33.5 | -27.6 | 0 | 0 | 0 | 110.6 | L143 | P141-L143 PolarHBondContact O-N 3.32Š|
| 142 | R | 40.8 | Very low | 41.8 | Very low | 233 Ų | 233 | 135.3 Ų | 135.3 | 88% | 0.879 | 78% | 0.782 | S | S | * | * | | | trans | -65.3 | 128 | 164.6 | -74.9 | -176.1 | 167.3 | 161.2 | -3.2 | 106.3 | I140 | I140-R142 HydrophobicContact CG2-CB 4.45Å; I140-R142 HydrophobicContact CG2-CG 3.9Å |
| 143 | L | 41.4 | Very low | 42.5 | Very low | 166 Ų | 166 | 132.9 Ų | 132.9 | 87% | 0.869 | 78% | 0.776 | S | S | * | * | | | trans | -127.3 | 131.2 | 156.3 | -126.8 | 148.5 | 0 | 0 | 0 | 108.9 | P141 | P141-L143 PolarHBondContact O-N 3.32Š|
| 144 | L | 42.8 | Very low | 42.9 | Very low | 152 Ų | 152 | 133.5 Ų | 133.5 | 80% | 0.796 | 77% | 0.772 | S | S | * | * | | | trans | -58.2 | 139 | -170.7 | -74.5 | 125 | 0 | 0 | 0 | 113.6 | | |
| 145 | D | 39.2 | Very low | 43.2 | Very low | 146 Ų | 146 | 137.6 Ų | 137.6 | 78% | 0.781 | 78% | 0.783 | S | S | * | * | | | | 57.2 | 107.4 | 118.9 | -148.5 | 11.9 | 0 | 0 | 0 | 118.1 | | |
| 146 | A | 41.6 | Very low | 43.2 | Very low | 102 Ų | 102 | 136.4 Ų | 136.4 | 84% | 0.843 | 78% | 0.775 | S | S | * | * | | | trans | -164.9 | 116.6 | 137.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 147 | R | 43 | Very low | 43.8 | Very low | 231 Ų | 231 | 134.7 Ų | 134.7 | 87% | 0.872 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -52 | 160.7 | 169.6 | -172.6 | 172.7 | -174.4 | 175.4 | 2.5 | 114.5 | | |
| 148 | P | 40.7 | Very low | 44.2 | Very low | 119 Ų | 119 | 133.9 Ų | 133.9 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 156.8 | -166.9 | 31.9 | -35.6 | 0 | 0 | 0 | 114.7 | | |
| 149 | A | 40.3 | Very low | 44.1 | Very low | 97 Ų | 97 | 131.4 Ų | 131.4 | 80% | 0.802 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 157.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 150 | P | 50.1 | Low | 44.3 | Very low | 120 Ų | 120 | 140.6 Ų | 140.6 | 78% | 0.779 | 78% | 0.777 | S | S | * | * | | | | -136.2 | 153.2 | 126.1 | 36.4 | -24.3 | 0 | 0 | 0 | 114.6 | | |
| 151 | A | 42.1 | Very low | 44.3 | Very low | 93 Ų | 93 | 138.8 Ų | 138.8 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | | | trans | 62.6 | 99.4 | 151.1 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 152 | A | 48.3 | Very low | 44.4 | Very low | 92 Ų | 92 | 141.6 Ų | 141.6 | 76% | 0.76 | 78% | 0.775 | S | S | * | * | | | | 84.3 | 163.3 | 83.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 153 | P | 51.9 | Low | 44.5 | Very low | 99 Ų | 99 | 135.7 Ų | 135.7 | 64% | 0.643 | 77% | 0.77 | S | S | * | * | | | | -117.9 | -175.2 | -77.6 | 30.3 | -12.3 | 0 | 0 | 0 | 109.2 | | |
| 154 | F | 43 | Very low | 44.4 | Very low | 176 Ų | 176 | 136.6 Ų | 136.6 | 77% | 0.772 | 77% | 0.769 | S | S | * | * | | | trans | 167.7 | 89.5 | 135.4 | -90.4 | -85.5 | 0 | 0 | 0 | 107.7 | | |
| 155 | F | 49.1 | Very low | 44.6 | Very low | 172 Ų | 172 | 141 Ų | 141 | 75% | 0.754 | 78% | 0.775 | S | S | * | * | | | | 93.1 | 151 | 111.3 | -86.9 | -81.7 | 0 | 0 | 0 | 114.1 | | |
| 156 | P | 48.7 | Very low | 45.1 | Very low | 100 Ų | 100 | 139.4 Ų | 139.4 | 65% | 0.649 | 77% | 0.773 | S | S | * | * | | | | -135.9 | -163.4 | -117 | 26.3 | 0.4 | 0 | 0 | 0 | 114.3 | | |
| 157 | V | 50.7 | Low | 45.1 | Very low | 126 Ų | 126 | 142.8 Ų | 142.8 | 76% | 0.764 | 78% | 0.776 | S | S | * | * | | | trans | 98.4 | 144.8 | 147.5 | -164.1 | 0 | 0 | 0 | 0 | 115.6 | | |
| 158 | P | 49.5 | Very low | 45.8 | Very low | 103 Ų | 103 | 137.1 Ų | 137.1 | 67% | 0.669 | 77% | 0.769 | S | S | * | * | | | | -135.8 | 149.6 | -54.1 | 39.6 | -21.2 | 0 | 0 | 0 | 112.2 | | |
| 159 | V | 41.5 | Very low | 46.2 | Very low | 112 Ų | 112 | 137.1 Ų | 137.1 | 68% | 0.679 | 77% | 0.769 | S | S | * | * | | | | 44.8 | 118.7 | 92.8 | -173.1 | 0 | 0 | 0 | 0 | 117.3 | T161 | V159-T161 HydrophobicContact CG1-CG2 3.67Š|
| 160 | W | 40.9 | Very low | 46.4 | Very low | 250 Ų | 250 | 141 Ų | 141 | 95% | 0.947 | 78% | 0.776 | S | S | * | * | | | trans | -147.9 | 100.7 | 133 | -97.9 | 13.8 | 0 | 0 | 0 | 106.4 | | |
| 161 | T | 43.9 | Very low | 46.7 | Very low | 101 Ų | 101 | 141.5 Ų | 141.5 | 62% | 0.62 | 78% | 0.776 | S | S | * | * | | | | 42.3 | 122.1 | 87.3 | 62.1 | 0 | 0 | 0 | 0 | 112.8 | V159 | V159-T161 HydrophobicContact CG1-CG2 3.67Š|
| 162 | Q | 42.7 | Very low | 47.2 | Very low | 183 Ų | 183 | 142.5 Ų | 142.5 | 86% | 0.855 | 78% | 0.775 | S | S | * | * | | | | 164.9 | 136.3 | 81 | -167.5 | 171.8 | 2 | 0 | 0 | 103.7 | | |
| 163 | S | 43.8 | Very low | 47.4 | Very low | 110 Ų | 110 | 144.1 Ų | 144.1 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | | | cis | -164.9 | 135.3 | 46.8 | -167.2 | 0 | 0 | 0 | 0 | 109.4 | | |
| 164 | Q | 39.3 | Very low | 46.6 | Very low | 185 Ų | 185 | 146.2 Ų | 146.2 | 86% | 0.864 | 78% | 0.779 | S | S | * | * | | | trans | -80.4 | 153.4 | 168.1 | -66 | -165.3 | -14.8 | 0 | 0 | 111.5 | | |
| 165 | R | 46 | Very low | 46.5 | Very low | 243 Ų | 243 | 146.9 Ų | 146.9 | 92% | 0.917 | 79% | 0.787 | S | S | * | * | | | trans | -131.9 | 150.8 | 145.8 | -107 | -159.1 | 172.5 | 172.6 | -1 | 109.1 | | |
| 166 | P | 49.2 | Very low | 46.1 | Very low | 114 Ų | 114 | 145.9 Ų | 145.9 | 74% | 0.74 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -93.2 | 149.7 | -151.5 | 2.1 | 18.8 | 0 | 0 | 0 | 113.7 | | |
| 167 | L | 42.8 | Very low | 45.9 | Very low | 172 Ų | 172 | 146.9 Ų | 146.9 | 90% | 0.901 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 140.7 | 169 | -73.2 | 160.1 | 0 | 0 | 0 | 111.9 | | |
| 168 | P | 56.7 | Low | 45.5 | Very low | 112 Ų | 112 | 147.9 Ų | 147.9 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -84.6 | 164.5 | 156.2 | 33.7 | -29.2 | 0 | 0 | 0 | 111.7 | | |
| 169 | P | 50.6 | Low | 44.7 | Very low | 120 Ų | 120 | 154.9 Ų | 154.9 | 78% | 0.779 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 157.8 | -149.7 | 32.2 | -35.3 | 0 | 0 | 0 | 116.1 | | |
| 170 | L | 43.1 | Very low | 44.7 | Very low | 179 Ų | 179 | 156.5 Ų | 156.5 | 94% | 0.937 | 81% | 0.805 | S | S | * | * | | | trans | -41.6 | 131 | 173.7 | -87.9 | 77.8 | 0 | 0 | 0 | 114.3 | | |
| 171 | V | 56.7 | Low | 44.4 | Very low | 130 Ų | 130 | 151.1 Ų | 151.1 | 79% | 0.788 | 80% | 0.795 | S | S | * | * | | | trans | -122.9 | 144 | 157.2 | -171.2 | 0 | 0 | 0 | 0 | 106.6 | | |
| 172 | P | 53.4 | Low | 44.4 | Very low | 113 Ų | 113 | 151.3 Ų | 151.3 | 73% | 0.734 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 166.1 | -162.9 | -17.3 | 30.7 | 0 | 0 | 0 | 114.9 | | |
| 173 | P | 51.1 | Low | 44.1 | Very low | 127 Ų | 127 | 148.8 Ų | 148.8 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 145 | -158.7 | 30 | -33.9 | 0 | 0 | 0 | 114 | | |
| 174 | Q | 36.8 | Very low | 43.9 | Very low | 143 Ų | 143 | 147 Ų | 147 | 67% | 0.668 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 132.9 | 177.4 | -66.3 | 167.7 | -45.9 | 0 | 0 | 112.9 | F176 | Q174-F176 HydrophobicContact CB-CD2 3.88Å; Q174-F176 HydrophobicContact CB-CE2 3.89Å; Q174-F176 VanDerWaalsContact CD-CE2 3.45Å; Q174-F176 HydrophobicContact CG-CE2 4.27Å |
| 175 | M | 40.7 | Very low | 44 | Very low | 190 Ų | 190 | 142.6 Ų | 142.6 | 94% | 0.936 | 78% | 0.775 | S | S | * | * | | | trans | -92.2 | 103.6 | 141.1 | -77 | -165.4 | -66.4 | 0 | 0 | 107.1 | | |
| 176 | F | 39.9 | Very low | 43.8 | Very low | 151 Ų | 151 | 134.5 Ų | 134.5 | 66% | 0.662 | 76% | 0.761 | S | S | * | * | | | trans | -69.9 | 134.5 | 164 | -73.6 | -87.1 | 0 | 0 | 0 | 108.8 | Q174 L178 | Q174-F176 HydrophobicContact CB-CD2 3.88Å; Q174-F176 HydrophobicContact CB-CE2 3.89Å; Q174-F176 VanDerWaalsContact CD-CE2 3.45Å; Q174-F176 HydrophobicContact CG-CE2 4.27Å; F176-L178 PolarHBondContact O-N 3.26Å |
| 177 | P | 45.2 | Very low | 43.6 | Very low | 121 Ų | 121 | 131.8 Ų | 131.8 | 79% | 0.786 | 75% | 0.748 | S | S | * | * | | | trans | -73 | 122.3 | 145 | 23.1 | -11.4 | 0 | 0 | 0 | 106.8 | R179 | P177-R179 PolarHBondContact O-N 2.82Š|
| 178 | L | 40.8 | Very low | 43.5 | Very low | 147 Ų | 147 | 126.4 Ų | 126.4 | 77% | 0.77 | 73% | 0.728 | S | S | * | * | | | trans | -38.3 | 130.4 | 172.5 | -76.7 | 144 | 0 | 0 | 0 | 111.3 | F176 I180 | F176-L178 PolarHBondContact O-N 3.26Å; L178-I180 VanDerWaalsContact C-N 3.3Å; L178-I180 HydrophobicContact CB-CG1 4.36Å; L178-I180 PolarHBondContact O-N 2.87Å |
| 179 | R | 33.3 | Very low | 42.8 | Very low | 250 Ų | 250 | 123.8 Ų | 123.8 | 94% | 0.943 | 72% | 0.715 | S | S | * | * | | | trans | -58.3 | 98.6 | 156.7 | -80.7 | -176.1 | 174.9 | 154 | -2.2 | 107.5 | P177 | P177-R179 PolarHBondContact O-N 2.82Š|
| 180 | I | 42.7 | Very low | 42.5 | Very low | 145 Ų | 145 | 120.7 Ų | 120.7 | 74% | 0.744 | 70% | 0.7 | S | S | * | * | | | trans | -89.1 | 114.2 | 162.8 | -58.1 | 175.7 | 0 | 0 | 0 | 105.2 | L178 P182 | L178-I180 VanDerWaalsContact C-N 3.3Å; L178-I180 HydrophobicContact CB-CG1 4.36Å; L178-I180 PolarHBondContact O-N 2.87Å; I180-P182 VanDerWaalsContact O-CD 3.25Å; I180-P182 WeakPolarHBondContact O-CD 3.18Å |
| 181 | N | 34.1 | Very low | 42.5 | Very low | 137 Ų | 137 | 114.5 Ų | 114.5 | 73% | 0.733 | 68% | 0.675 | S | S | * | * | | | trans | -63.8 | 118.3 | 161.7 | -88.5 | -20.1 | 0 | 0 | 0 | 107.7 | T183 | N181-T183 VanDerWaalsContact C-N 3.34Å; N181-T183 PolarHBondContact O-N 3.49Å |
| 182 | P | 43.9 | Very low | 41.9 | Very low | 106 Ų | 106 | 113.9 Ų | 113.9 | 69% | 0.688 | 67% | 0.666 | S | S | * | * | | | trans | -84.5 | 91 | 159.8 | 32.2 | -24.2 | 0 | 0 | 0 | 106.9 | I180 T184 | I180-P182 VanDerWaalsContact O-CD 3.25Å; I180-P182 WeakPolarHBondContact O-CD 3.18Å; P182-T184 PolarHBondContact O-N 3.41Å |
| 183 | T | 35.1 | Very low | 41.4 | Very low | 130 Ų | 130 | 112.6 Ų | 112.6 | 80% | 0.798 | 66% | 0.66 | S | S | * | * | | | trans | -68 | 71.7 | 159.6 | -45 | 0 | 0 | 0 | 0 | 108 | N181 | N181-T183 VanDerWaalsContact C-N 3.34Å; N181-T183 PolarHBondContact O-N 3.49Å |
| 184 | T | 40.4 | Very low | 41.2 | Very low | 72 Ų | 72 | 111.4 Ų | 111.4 | 44% | 0.442 | 65% | 0.646 | S | S | . | * | | | trans | -151.9 | 84.8 | 175.8 | 39 | 0 | 0 | 0 | 0 | 110.8 | P182 A186 A187 | P182-T184 PolarHBondContact O-N 3.41Å; T184-A186 PolarHBondContact O-N 3.35Å; T184-A187 PolarHBondContact O-N 2.75Å |
| 185 | A | 41.2 | Very low | 41.5 | Very low | 93 Ų | 93 | 110.5 Ų | 110.5 | 77% | 0.769 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -53.2 | -18.2 | 161.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | A189 | A185-A189 PolarHBondContact O-N 3.4Å |
| 186 | A | 42.8 | Very low | 41.6 | Very low | 73 Ų | 73 | 105.1 Ų | 105.1 | 60% | 0.603 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -72.9 | -34.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | T184 A189 A190 | T184-A186 PolarHBondContact O-N 3.35Å; A186-A189 PolarHBondContact O-N 2.87Å; A186-A190 PolarHBondContact O-N 3.2Å; A186-A190 VanDerWaalsContact O-N 3.09Å |
| 187 | A | 44.5 | Very low | 41.9 | Very low | 57 Ų | 57 | 100.7 Ų | 100.7 | 47% | 0.471 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -76.8 | -36.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | T184 A189 A190 A191 | T184-A187 PolarHBondContact O-N 2.75Å; A187-A189 VanDerWaalsContact C-N 3.31Å; A187-A189 PolarHBondContact O-N 3.48Å; A187-A190 PolarHBondContact O-N 3.33Å; A187-A191 WeakPolarHBondContact O-CB 3.4Å; A187-A191 PolarHBondContact O-N 2.73Å |
| 188 | A | 40.2 | Very low | 42 | Very low | 58 Ų | 58 | 97.4 Ų | 97.4 | 48% | 0.479 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -65.3 | -34.3 | 171 | 0 | 0 | 0 | 0 | 0 | 112.1 | L192 | A188-L192 VanDerWaalsContact O-CB 3.31Å; A188-L192 WeakPolarHBondContact O-CB 3.4Å; A188-L192 WeakPolarHBondContact O-CD1 3.48Å; A188-L192 WeakPolarHBondContact O-CG 3.39Å; A188-L192 PolarHBondContact O-N 3Å |
| 189 | A | 41.4 | Very low | 42.7 | Very low | 57 Ų | 57 | 94.9 Ų | 94.9 | 47% | 0.471 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -68.9 | -37.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | A185 A186 A187 L192 S193 | A185-A189 PolarHBondContact O-N 3.4Å; A186-A189 PolarHBondContact O-N 2.87Å; A187-A189 VanDerWaalsContact C-N 3.31Å; A187-A189 PolarHBondContact O-N 3.48Å; A189-L192 PolarHBondContact O-N 3.26Å; A189-S193 WeakPolarHBondContact O-CB 3.31Å; A189-S193 PolarHBondContact O-N 3.44Å |
| 190 | A | 44.9 | Very low | 44.3 | Very low | 55 Ų | 55 | 86.9 Ų | 86.9 | 46% | 0.455 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -68.3 | -41.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | A186 A187 L192 S193 L194 | A186-A190 PolarHBondContact O-N 3.2Å; A186-A190 VanDerWaalsContact O-N 3.09Å; A187-A190 PolarHBondContact O-N 3.33Å; A190-L192 PolarHBondContact O-N 3.12Å; A190-S193 PolarHBondContact O-N 3.11Å; A190-L194 PolarHBondContact O-N 3.17Å; A190-L194 VanDerWaalsContact O-N 3.11Å |
| 191 | A | 42.5 | Very low | 46 | Very low | 49 Ų | 49 | 83 Ų | 83 | 41% | 0.405 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -69.1 | -30.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | A187 K195 | A187-A191 WeakPolarHBondContact O-CB 3.4Å; A187-A191 PolarHBondContact O-N 2.73Å; A191-K195 PolarHBondContact O-N 2.98Å |
| 192 | L | 44.1 | Very low | 48.3 | Very low | 117 Ų | 117 | 79.6 Ų | 79.6 | 61% | 0.613 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -75.3 | -31 | 171.9 | -73.8 | 167.4 | 0 | 0 | 0 | 112.4 | A188 A189 A190 K195 S196 | A188-L192 VanDerWaalsContact O-CB 3.31Å; A188-L192 WeakPolarHBondContact O-CB 3.4Å; A188-L192 WeakPolarHBondContact O-CD1 3.48Å; A188-L192 WeakPolarHBondContact O-CG 3.39Å; A188-L192 PolarHBondContact O-N 3Å; A189-L192 PolarHBondContact O-N 3.26Å; A190-L192 PolarHBondContact O-N 3.12Å; L192-K195 PolarHBondContact O-N 3.37Å; L192-S196 PolarHBondContact O-N 3.39Å |
| 193 | S | 44.3 | Very low | 50.2 | Low | 86 Ų | 86 | 79.6 Ų | 79.6 | 60% | 0.601 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -70.2 | -35.4 | 175.5 | -151.3 | 0 | 0 | 0 | 0 | 112.2 | A189 A190 S196 A197 | A189-S193 WeakPolarHBondContact O-CB 3.31Å; A189-S193 PolarHBondContact O-N 3.44Å; A190-S193 PolarHBondContact O-N 3.11Å; S193-S196 PolarHBondContact O-N 3.43Å; S193-A197 PolarHBondContact O-N 3.44Å |
| 194 | L | 45.9 | Very low | 52.7 | Low | 102 Ų | 102 | 75.4 Ų | 75.4 | 53% | 0.534 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -71.8 | -31.9 | 173.8 | -74.8 | 162.6 | 0 | 0 | 0 | 113.2 | A190 S196 A197 | A190-L194 PolarHBondContact O-N 3.17Å; A190-L194 VanDerWaalsContact O-N 3.11Å; L194-S196 PolarHBondContact O-N 3.45Å; L194-A197 PolarHBondContact O-N 3.02Å |
| 195 | K | 43.1 | Very low | 55.1 | Low | 125 Ų | 125 | 76.2 Ų | 76.2 | 54% | 0.543 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.3 | -26.8 | 170.5 | -89.8 | 175.2 | 174.1 | 170.6 | 0 | 112.8 | A191 L192 | A191-K195 PolarHBondContact O-N 2.98Å; L192-K195 PolarHBondContact O-N 3.37Å |
| 196 | S | 42.6 | Very low | 57.3 | Low | 76 Ų | 76 | 73.5 Ų | 73.5 | 53% | 0.531 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -79.2 | -31.3 | 176.6 | -149.8 | 0 | 0 | 0 | 0 | 112.8 | L192 S193 L194 A198 S199 | L192-S196 PolarHBondContact O-N 3.39Å; S193-S196 PolarHBondContact O-N 3.43Å; L194-S196 PolarHBondContact O-N 3.45Å; S196-A198 VanDerWaalsContact C-N 3.32Å; S196-A198 PolarHBondContact O-N 3.33Å; S196-S199 PolarHBondContact O-N 2.91Å; S196-S199 PolarHBondContact O-OG 3.02Å |
| 197 | A | 46.3 | Very low | 59.4 | Low | 58 Ų | 58 | 71.3 Ų | 71.3 | 48% | 0.479 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -69.9 | -24 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | S193 L194 S199 S200 | S193-A197 PolarHBondContact O-N 3.44Å; L194-A197 PolarHBondContact O-N 3.02Å; A197-S199 PolarHBondContact O-N 3.48Å; A197-S200 PolarHBondContact O-OG 2.98Å |
| 198 | A | 49.1 | Very low | 61.4 | Low | 52 Ų | 52 | 72.5 Ų | 72.5 | 43% | 0.43 | 48% | 0.484 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -12.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | S196 | S196-A198 VanDerWaalsContact C-N 3.32Å; S196-A198 PolarHBondContact O-N 3.33Å |
| 199 | S | 54.7 | Low | 63.6 | Low | 95 Ų | 95 | 76.3 Ų | 76.3 | 66% | 0.664 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.6 | -6.8 | 177.6 | 78.9 | 0 | 0 | 0 | 0 | 114.1 | S196 A197 V201 | S196-S199 PolarHBondContact O-N 2.91Å; S196-S199 PolarHBondContact O-OG 3.02Å; A197-S199 PolarHBondContact O-N 3.48Å; S199-V201 PolarHBondContact O-N 3.14Å |
| 200 | S | 67.7 | Low | 65.9 | Low | 81 Ų | 81 | 76.5 Ų | 76.5 | 57% | 0.566 | 49% | 0.485 | S | S | * | . | | | trans | -102.7 | 44.6 | -172.9 | 68.7 | 0 | 0 | 0 | 0 | 113.4 | A197 P202 | A197-S200 PolarHBondContact O-OG 2.98Å; S200-P202 VanDerWaalsContact O-CD 3.22Å; S200-P202 WeakPolarHBondContact O-CD 3.46Å |
| 201 | V | 78.4 | Confident | 67.9 | Low | 63 Ų | 63 | 77.8 Ų | 77.8 | 38% | 0.382 | 49% | 0.487 | S | S | . | . | P | Polyproline II helix | trans | -70.1 | 116.4 | 167.7 | -176.9 | 0 | 0 | 0 | 0 | 107.4 | S199 A203 Y205 A207 L225 | S199-V201 PolarHBondContact O-N 3.14Å; V201-A203 PolarHBondContact O-N 3.47Å; V201-Y205 WeakPolarHBondContact CG1-O 3.39Å; V201-A207 HydrophobicContact CG1-CB 4.18Å; V201-A207 HydrophobicContact CG2-CB 3.59Å; V201-L225 HydrophobicContact CG1-CD2 4.39Å |
| 202 | P | 82 | Confident | 69.8 | Low | 67 Ų | 67 | 80.1 Ų | 80.1 | 44% | 0.435 | 49% | 0.493 | S | S | . | . | P | Polyproline II helix | trans | -58.4 | 141.8 | -177.6 | -23 | 33.9 | 0 | 0 | 0 | 110.9 | S200 G204 Y205 | S200-P202 VanDerWaalsContact O-CD 3.22Å; S200-P202 WeakPolarHBondContact O-CD 3.46Å; P202-G204 PolarHBondContact O-N 3.45Å; P202-Y205 HydrophobicContact CB-CD2 3.82Å; P202-Y205 HydrophobicContact CB-CE2 4.27Å; P202-Y205 HydrophobicContact CG-CD2 4.5Å; P202-Y205 PolarHBondContact O-N 3.24Å |
| 203 | A | 82.3 | Confident | 71.7 | Confident | 105 Ų | 105 | 81.4 Ų | 81.4 | 87% | 0.868 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | 130.6 | 179 | 0 | 0 | 0 | 0 | 0 | 110.6 | V201 | V201-A203 PolarHBondContact O-N 3.47Š|
| 204 | G | 87.7 | Confident | 73.3 | Confident | 43 Ų | 43 | 79.7 Ų | 79.7 | 44% | 0.443 | 49% | 0.491 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.7 | 4.8 | -176 | 0 | 0 | 0 | 0 | 0 | 115.1 | P202 K227 K228 | P202-G204 PolarHBondContact O-N 3.45Å; G204-K227 CarbonylContact O-C 3.57Å; G204-K228 WeakPolarHBondContact O-CB 3.48Å; G204-K228 PolarHBondContact O-N 3.41Å |
| 205 | Y | 90.6 | Very high | 75 | Confident | 89 Ų | 89 | 78.1 Ų | 78.1 | 35% | 0.349 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 153.2 | 169.8 | -65.2 | -99.4 | 0 | 0 | 0 | 111.1 | V201 P202 L225 K226 K227 | V201-Y205 WeakPolarHBondContact CG1-O 3.39Å; P202-Y205 HydrophobicContact CB-CD2 3.82Å; P202-Y205 HydrophobicContact CB-CE2 4.27Å; P202-Y205 HydrophobicContact CG-CD2 4.5Å; P202-Y205 PolarHBondContact O-N 3.24Å; Y205-L225 HydrophobicContact CD1-CB 4.06Å; Y205-K226 CarbonylContact C-O 3.59Å; Y205-K226 WeakPolarHBondContact CA-O 3.38Å; Y205-K227 HydrophobicContact CD1-CB 3.95Å; Y205-K227 HydrophobicContact CD1-CG 4.46Å; Y205-K227 HydrophobicContact CE1-CB 3.66Å; Y205-K227 HydrophobicContact CE1-CD 4.31Å; Y205-K227 HydrophobicContact CE1-CG 4Å |
| 206 | S | 88.1 | Confident | 76.6 | Confident | 35 Ų | 35 | 81.5 Ų | 81.5 | 25% | 0.245 | 52% | 0.523 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 131.3 | 162.7 | 53.9 | 0 | 0 | 0 | 0 | 108.1 | K226 | S206-K226 PolarHBondContact N-O 3.11Å; S206-K226 PolarHBondContact O-N 3.33Å; S206-K226 PolarHBondContact OG-O 3.43Å |
| 207 | A | 87.9 | Confident | 78.6 | Confident | 28 Ų | 28 | 79.5 Ų | 79.5 | 23% | 0.231 | 51% | 0.514 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 129.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | V201 I223 V224 L225 | V201-A207 HydrophobicContact CG1-CB 4.18Å; V201-A207 HydrophobicContact CG2-CB 3.59Å; A207-I223 HydrophobicContact CB-CG2 3.81Å; A207-V224 WeakPolarHBondContact CA-O 3.35Å; A207-L225 HydrophobicContact CB-CD2 3.78Å |
| 208 | N | 86.6 | Confident | 80.5 | Confident | 81 Ų | 81 | 80.5 Ų | 80.5 | 43% | 0.433 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 129.1 | 168.9 | -74.7 | -35.3 | 0 | 0 | 0 | 108.9 | V224 | N208-V224 PolarHBondContact N-O 2.98Å; N208-V224 PolarHBondContact O-N 3.27Å |
| 209 | F | 86.1 | Confident | 82.4 | Confident | 139 Ų | 139 | 81.8 Ų | 81.8 | 61% | 0.61 | 52% | 0.519 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77 | 131 | 170.4 | -61 | -87.9 | 0 | 0 | 0 | 108.6 | I223 | F209-I223 HydrophobicContact CD1-CD1 4.22Å; F209-I223 HydrophobicContact CD1-CG1 3.76Å; F209-I223 HydrophobicContact CE1-CD1 3.67Å; F209-I223 HydrophobicContact CE1-CG1 3.73Å; F209-I223 HydrophobicContact CZ-CD1 4.46Å |
| 210 | T | 89 | Confident | 84 | Confident | 61 Ų | 61 | 81.5 Ų | 81.5 | 37% | 0.374 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 167 | 177 | -168.2 | 0 | 0 | 0 | 0 | 109.1 | A222 V224 | T210-A222 HydrophobicContact CG2-CB 3.99Å; T210-A222 PolarHBondContact N-O 3.39Å; T210-A222 PolarHBondContact O-N 3.07Å; T210-V224 HydrophobicContact CG2-CG2 3.56Å |
| 211 | T | 86.2 | Confident | 85.1 | Confident | 81 Ų | 81 | 80.9 Ų | 80.9 | 50% | 0.497 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 128 | 168.8 | 51.8 | 0 | 0 | 0 | 0 | 109.4 | P219 I220 | T211-P219 HydrophobicContact CG2-CB 4.29Å; T211-I220 CarbonylContact C-O 3.52Å; T211-I220 VanDerWaalsContact CA-O 3.32Å; T211-I220 WeakPolarHBondContact CA-O 3.49Å |
| 212 | L | 84.1 | Confident | 85.6 | Confident | 98 Ų | 98 | 79 Ų | 79 | 51% | 0.513 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 123.8 | 170.3 | -60.7 | 175.9 | 0 | 0 | 0 | 108.6 | A214 I220 A222 | L212-A214 PolarHBondContact O-N 2.95Å; L212-I220 HydrophobicContact CB-CB 4.38Å; L212-I220 PolarHBondContact N-O 3.05Å; L212-I220 PolarHBondContact O-N 3.04Å; L212-A222 HydrophobicContact CD1-CB 3.9Å; L212-A222 HydrophobicContact CG-CB 3.8Å |
| 213 | N | 83.8 | Confident | 86 | Confident | 144 Ų | 144 | 80.5 Ų | 80.5 | 77% | 0.77 | 50% | 0.498 | S | S | * | . | | | trans | -73.8 | 108.7 | 174.5 | -67.8 | -27.7 | 0 | 0 | 0 | 108.8 | G215 | N213-G215 PolarHBondContact O-N 3.4Å; N213-G215 VanDerWaalsContact O-N 3.1Å |
| 214 | A | 76.9 | Confident | 86.4 | Confident | 51 Ų | 51 | 79 Ų | 79 | 42% | 0.421 | 48% | 0.478 | S | S | . | . | | | trans | -78.9 | 19.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | L212 L216 I220 | L212-A214 PolarHBondContact O-N 2.95Å; A214-L216 PolarHBondContact O-N 3.16Å; A214-I220 HydrophobicContact CB-CD1 3.59Å; A214-I220 HydrophobicContact CB-CG1 3.89Å |
| 215 | G | 82.4 | Confident | 86.6 | Confident | 68 Ų | 68 | 81.1 Ų | 81.1 | 70% | 0.701 | 48% | 0.479 | S | S | * | . | S | Bend | trans | 71.6 | -112.8 | -171.4 | 0 | 0 | 0 | 0 | 0 | 112 | N213 G217 | N213-G215 PolarHBondContact O-N 3.4Å; N213-G215 VanDerWaalsContact O-N 3.1Å; G215-G217 PolarHBondContact O-N 2.99Å; G215-G217 VanDerWaalsContact O-N 3.14Å |
| 216 | L | 75.9 | Confident | 86.5 | Confident | 197 Ų | 197 | 83.6 Ų | 83.6 | 100% | 1.031 | 49% | 0.491 | S | S | * | . | S | Bend | trans | -81.4 | 27.5 | -178.2 | -65.4 | 173.7 | 0 | 0 | 0 | 113.7 | A214 | A214-L216 PolarHBondContact O-N 3.16Š|
| 217 | G | 84.8 | Confident | 86.7 | Confident | 34 Ų | 34 | 88.6 Ų | 88.6 | 35% | 0.351 | 51% | 0.509 | S | S | . | . | S | Bend | trans | -131.5 | 167.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | G215 | G215-G217 PolarHBondContact O-N 2.99Å; G215-G217 VanDerWaalsContact O-N 3.14Å |
| 218 | P | 86.4 | Confident | 86.6 | Confident | 78 Ų | 78 | 94.6 Ų | 94.6 | 51% | 0.506 | 53% | 0.529 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 149.9 | 172.3 | 27 | -33.3 | 0 | 0 | 0 | 110.3 | I220 F333 | P218-I220 PolarHBondContact O-N 2.94Å; P218-F333 HydrophobicContact CB-CZ 4.13Å; P218-F333 HydrophobicContact CG-CE1 4.14Å; P218-F333 HydrophobicContact CG-CZ 3.89Å |
| 219 | P | 88.2 | Confident | 86.2 | Confident | 79 Ų | 79 | 101.9 Ų | 101.9 | 51% | 0.513 | 55% | 0.551 | S | S | . | * | P | Polyproline II helix | trans | -56.2 | 127.9 | 176.8 | 21.1 | -31 | 0 | 0 | 0 | 110.7 | T211 P221 | T211-P219 HydrophobicContact CG2-CB 4.29Å; P219-P221 WeakPolarHBondContact O-CD 3.37Å |
| 220 | I | 89.7 | Confident | 85.9 | Confident | 90 Ų | 90 | 104.5 Ų | 104.5 | 46% | 0.462 | 56% | 0.562 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -86.2 | 119 | 179.6 | -63.1 | 169.7 | 0 | 0 | 0 | 108.4 | T211 L212 A214 P218 | T211-I220 CarbonylContact C-O 3.52Å; T211-I220 VanDerWaalsContact CA-O 3.32Å; T211-I220 WeakPolarHBondContact CA-O 3.49Å; L212-I220 HydrophobicContact CB-CB 4.38Å; L212-I220 PolarHBondContact N-O 3.05Å; L212-I220 PolarHBondContact O-N 3.04Å; A214-I220 HydrophobicContact CB-CD1 3.59Å; A214-I220 HydrophobicContact CB-CG1 3.89Å; P218-I220 PolarHBondContact O-N 2.94Å |
| 221 | P | 89.5 | Confident | 85.5 | Confident | 68 Ų | 68 | 110.3 Ų | 110.3 | 44% | 0.442 | 58% | 0.582 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -66.6 | 135.1 | 174.9 | 27.9 | -33.8 | 0 | 0 | 0 | 111.2 | P219 F326 | P219-P221 WeakPolarHBondContact O-CD 3.37Å; P221-F326 HydrophobicContact CB-CD2 4.3Å; P221-F326 HydrophobicContact CB-CE2 3.52Å; P221-F326 HydrophobicContact CB-CZ 4.42Å; P221-F326 HydrophobicContact CG-CE2 3.54Å; P221-F326 HydrophobicContact CG-CZ 4.2Å |
| 222 | A | 89.4 | Confident | 85.1 | Confident | 24 Ų | 24 | 115.5 Ų | 115.5 | 20% | 0.198 | 60% | 0.598 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -141.4 | 154.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | T210 L212 | T210-A222 HydrophobicContact CG2-CB 3.99Å; T210-A222 PolarHBondContact N-O 3.39Å; T210-A222 PolarHBondContact O-N 3.07Å; L212-A222 HydrophobicContact CD1-CB 3.9Å; L212-A222 HydrophobicContact CG-CB 3.8Å |
| 223 | I | 91 | Very high | 84.1 | Confident | 97 Ų | 97 | 117.5 Ų | 117.5 | 50% | 0.497 | 61% | 0.609 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -114.7 | 116.1 | 174.6 | -55.4 | 176.5 | 0 | 0 | 0 | 108.3 | A207 F209 L225 | A207-I223 HydrophobicContact CB-CG2 3.81Å; F209-I223 HydrophobicContact CD1-CD1 4.22Å; F209-I223 HydrophobicContact CD1-CG1 3.76Å; F209-I223 HydrophobicContact CE1-CD1 3.67Å; F209-I223 HydrophobicContact CE1-CG1 3.73Å; F209-I223 HydrophobicContact CZ-CD1 4.46Å; I223-L225 HydrophobicContact CG2-CD2 4.24Å |
| 224 | V | 89.6 | Confident | 83.5 | Confident | 74 Ų | 74 | 121.1 Ų | 121.1 | 45% | 0.448 | 61% | 0.612 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -93 | 114.7 | 176.1 | 178.5 | 0 | 0 | 0 | 0 | 109.2 | A207 N208 T210 | A207-V224 WeakPolarHBondContact CA-O 3.35Å; N208-V224 PolarHBondContact N-O 2.98Å; N208-V224 PolarHBondContact O-N 3.27Å; T210-V224 HydrophobicContact CG2-CG2 3.56Å |
| 225 | L | 91.8 | Very high | 82.9 | Confident | 87 Ų | 87 | 128 Ų | 128 | 46% | 0.455 | 63% | 0.632 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -88.9 | 110.1 | 173.6 | -61.5 | 179.8 | 0 | 0 | 0 | 110.1 | V201 Y205 A207 I223 | V201-L225 HydrophobicContact CG1-CD2 4.39Å; Y205-L225 HydrophobicContact CD1-CB 4.06Å; A207-L225 HydrophobicContact CB-CD2 3.78Å; I223-L225 HydrophobicContact CG2-CD2 4.24Å |
| 226 | K | 90 | Very high | 81.7 | Confident | 142 Ų | 142 | 131.9 Ų | 131.9 | 62% | 0.617 | 64% | 0.636 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -99.6 | 120.7 | 174 | -173.7 | 174.6 | -177.2 | 173.4 | 0 | 110.2 | Y205 S206 K228 | Y205-K226 CarbonylContact C-O 3.59Å; Y205-K226 WeakPolarHBondContact CA-O 3.38Å; S206-K226 PolarHBondContact N-O 3.11Å; S206-K226 PolarHBondContact O-N 3.33Å; S206-K226 PolarHBondContact OG-O 3.43Å; K226-K228 PolarHBondContact O-N 3.17Å |
| 227 | K | 91.2 | Very high | 80.6 | Confident | 140 Ų | 140 | 131.8 Ų | 131.8 | 61% | 0.609 | 63% | 0.627 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -67.9 | 119.6 | 176.3 | -167.8 | 171.2 | -175.7 | 171.1 | 0 | 110.4 | G204 Y205 R229 | G204-K227 CarbonylContact O-C 3.57Å; Y205-K227 HydrophobicContact CD1-CB 3.95Å; Y205-K227 HydrophobicContact CD1-CG 4.46Å; Y205-K227 HydrophobicContact CE1-CB 3.66Å; Y205-K227 HydrophobicContact CE1-CD 4.31Å; Y205-K227 HydrophobicContact CE1-CG 4Å; K227-R229 PolarHBondContact O-N 3.35Å |
| 228 | K | 85.2 | Confident | 78.8 | Confident | 153 Ų | 153 | 133.4 Ų | 133.4 | 67% | 0.665 | 64% | 0.644 | S | S | * | * | | | trans | -68.4 | 99.8 | 168.8 | -77.5 | -172.4 | 169.5 | 179.1 | 0 | 108.7 | G204 K226 K230 | G204-K228 WeakPolarHBondContact O-CB 3.48Å; G204-K228 PolarHBondContact O-N 3.41Å; K226-K228 PolarHBondContact O-N 3.17Å; K228-K230 PolarHBondContact O-N 3.41Å |
| 229 | R | 79.8 | Confident | 77.1 | Confident | 235 Ų | 235 | 137.6 Ų | 137.6 | 89% | 0.887 | 66% | 0.661 | S | S | * | * | | | trans | -67.7 | 117.7 | 167.6 | -68.9 | -176.4 | 176.2 | -179.8 | -1 | 108.1 | K227 K231 | K227-R229 PolarHBondContact O-N 3.35Å; R229-K231 PolarHBondContact O-N 3.22Å |
| 230 | K | 79.5 | Confident | 74.9 | Confident | 194 Ų | 194 | 138.6 Ų | 138.6 | 84% | 0.843 | 67% | 0.67 | S | S | * | * | | | trans | -58.7 | 108.4 | 170.3 | -175.1 | 175.9 | -178.6 | 175.2 | 0 | 107.4 | K228 K232 | K228-K230 PolarHBondContact O-N 3.41Å; K230-K232 VanDerWaalsContact C-N 3.33Å; K230-K232 PolarHBondContact O-N 3.48Å |
| 231 | K | 80.9 | Confident | 72.6 | Confident | 182 Ų | 182 | 142.3 Ų | 142.3 | 79% | 0.791 | 69% | 0.69 | S | S | * | * | | | trans | -57.9 | 99.7 | 171.9 | -174.5 | 175.6 | -179.2 | 177.3 | 0 | 106.7 | R229 N233 | R229-K231 PolarHBondContact O-N 3.22Å; K231-N233 PolarHBondContact O-N 3.37Å |
| 232 | K | 76.5 | Confident | 70.3 | Confident | 191 Ų | 191 | 144.5 Ų | 144.5 | 83% | 0.83 | 70% | 0.702 | S | S | * | * | | | trans | -62.3 | 114.3 | 166.8 | -71.7 | -177.3 | 179.7 | 178.5 | 0 | 104.2 | K230 R234 | K230-K232 VanDerWaalsContact C-N 3.33Å; K230-K232 PolarHBondContact O-N 3.48Å; K232-R234 PolarHBondContact O-N 3.41Å |
| 233 | N | 63.1 | Low | 68.1 | Low | 139 Ų | 139 | 151.5 Ų | 151.5 | 74% | 0.743 | 73% | 0.731 | S | S | * | * | | | trans | -59.1 | 94.8 | 166.1 | -78 | -26.9 | 0 | 0 | 0 | 105.8 | K231 K235 | K231-N233 PolarHBondContact O-N 3.37Å; N233-K235 PolarHBondContact O-N 3.44Å |
| 234 | R | 72.5 | Confident | 66.1 | Low | 221 Ų | 221 | 155.4 Ų | 155.4 | 83% | 0.834 | 75% | 0.751 | S | S | * | * | | | trans | -60.2 | 97.2 | 163.1 | -174.1 | 174.7 | 177.4 | 176.9 | -1.6 | 102.9 | K232 L236 | K232-R234 PolarHBondContact O-N 3.41Å; R234-L236 PolarHBondContact O-N 2.97Å |
| 235 | K | 64.5 | Low | 64.2 | Low | 195 Ų | 195 | 159.9 Ų | 159.9 | 85% | 0.848 | 76% | 0.764 | S | S | * | * | | | trans | -57.6 | 95.4 | 164.7 | -71 | -172.4 | 176.3 | -175.2 | 0 | 103.9 | N233 K237 | N233-K235 PolarHBondContact O-N 3.44Å; K235-K237 PolarHBondContact O-N 3.1Å |
| 236 | L | 56.3 | Low | 62 | Low | 149 Ų | 149 | 162.7 Ų | 162.7 | 78% | 0.78 | 78% | 0.78 | S | S | * | * | | | trans | -57.9 | 96.2 | 159 | -84.5 | 159.7 | 0 | 0 | 0 | 103.8 | R234 G238 | R234-L236 PolarHBondContact O-N 2.97Å; L236-G238 VanDerWaalsContact C-N 3.26Å; L236-G238 PolarHBondContact O-N 2.87Å |
| 237 | K | 53.4 | Low | 60.1 | Low | 195 Ų | 195 | 163.8 Ų | 163.8 | 85% | 0.848 | 79% | 0.792 | S | S | * | * | | | trans | -55.5 | 107.4 | 152 | -95 | 174.4 | 171 | 178.8 | 0 | 103.8 | K235 L239 | K235-K237 PolarHBondContact O-N 3.1Å; K237-L239 PolarHBondContact O-N 3.46Å |
| 238 | G | 47.1 | Very low | 58.3 | Low | 68 Ų | 68 | 165.6 Ų | 165.6 | 70% | 0.701 | 80% | 0.803 | S | S | * | * | | | trans | -53.2 | 109.5 | 177 | 0 | 0 | 0 | 0 | 0 | 108.5 | L236 | L236-G238 VanDerWaalsContact C-N 3.26Å; L236-G238 PolarHBondContact O-N 2.87Å |
| 239 | L | 49.3 | Very low | 56.9 | Low | 167 Ų | 167 | 165.9 Ų | 165.9 | 87% | 0.874 | 81% | 0.812 | S | S | * | * | | | trans | -96.7 | 88.3 | 147.2 | -66.2 | 177.6 | 0 | 0 | 0 | 103.6 | K237 L241 | K237-L239 PolarHBondContact O-N 3.46Å; L239-L241 VanDerWaalsContact C-N 3.27Å; L239-L241 PolarHBondContact O-N 3.34Å |
| 240 | S | 42.3 | Very low | 55.6 | Low | 100 Ų | 100 | 162.4 Ų | 162.4 | 70% | 0.699 | 81% | 0.811 | S | S | * | * | | | trans | -61.1 | 98.5 | 161.3 | 47 | 0 | 0 | 0 | 0 | 106.7 | T242 | S240-T242 PolarHBondContact O-N 3.5Å; S240-T242 VanDerWaalsContact O-N 3.09Å |
| 241 | L | 41.8 | Very low | 54.1 | Low | 168 Ų | 168 | 164.7 Ų | 164.7 | 88% | 0.88 | 81% | 0.814 | S | S | * | * | | | trans | -77.6 | 75.5 | 167.1 | -174.7 | 79.6 | 0 | 0 | 0 | 107.8 | L239 | L239-L241 VanDerWaalsContact C-N 3.27Å; L239-L241 PolarHBondContact O-N 3.34Å |
| 242 | T | 40.7 | Very low | 52.5 | Low | 113 Ų | 113 | 164.5 Ų | 164.5 | 69% | 0.693 | 82% | 0.821 | S | S | * | * | | | trans | -156.2 | 135.5 | 165.3 | 45 | 0 | 0 | 0 | 0 | 107.7 | S240 | S240-T242 PolarHBondContact O-N 3.5Å; S240-T242 VanDerWaalsContact O-N 3.09Å |
| 243 | E | 44.7 | Very low | 51.1 | Low | 172 Ų | 172 | 158.9 Ų | 158.9 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | | | trans | 84 | 62.6 | -176.7 | -58.9 | -177.7 | 151.4 | 0 | 0 | 115.6 | | |
| 244 | I | 48.1 | Very low | 50.2 | Low | 178 Ų | 178 | 160 Ų | 160 | 91% | 0.913 | 82% | 0.815 | S | S | * | * | | | trans | -94.7 | 89 | 134.5 | -58.7 | 172.3 | 0 | 0 | 0 | 103.9 | | |
| 245 | K | 50.8 | Low | 48.9 | Very low | 168 Ų | 168 | 156.6 Ų | 156.6 | 73% | 0.73 | 81% | 0.813 | S | S | * | * | | | trans | -101.8 | 138.2 | 167.9 | -143.2 | 178.2 | -174 | 179.1 | 0 | 106.1 | D247 | K245-D247 PolarHBondContact O-N 2.85Š|
| 246 | D | 45.5 | Very low | 48 | Very low | 147 Ų | 147 | 154.7 Ų | 154.7 | 79% | 0.786 | 81% | 0.812 | S | S | * | * | | | trans | -45.6 | 125.6 | -178.1 | -51.4 | -72.7 | 0 | 0 | 0 | 112.4 | | |
| 247 | D | 49.4 | Very low | 47.2 | Very low | 164 Ų | 164 | 151.1 Ų | 151.1 | 88% | 0.877 | 81% | 0.811 | S | S | * | * | | | trans | -149.9 | 73.8 | 156.3 | -88.2 | -37.5 | 0 | 0 | 0 | 107.2 | K245 D249 | K245-D247 PolarHBondContact O-N 2.85Å; D247-D249 PolarHBondContact O-N 3.03Å |
| 248 | E | 53.3 | Low | 46.8 | Very low | 178 Ų | 178 | 149 Ų | 149 | 83% | 0.832 | 81% | 0.809 | S | S | * | * | | | trans | -78.1 | 96.8 | 157.1 | -77.4 | -82.8 | 133.9 | 0 | 0 | 106.6 | | |
| 249 | D | 55.9 | Low | 46.5 | Very low | 160 Ų | 160 | 153.3 Ų | 153.3 | 86% | 0.856 | 82% | 0.816 | S | S | * | * | | | trans | -167.8 | -6.1 | 159.3 | -95.9 | -28.5 | 0 | 0 | 0 | 117.5 | D247 | D247-D249 PolarHBondContact O-N 3.03Š|
| 250 | D | 52.5 | Low | 46.1 | Very low | 162 Ų | 162 | 150 Ų | 150 | 87% | 0.866 | 81% | 0.812 | S | S | * | * | | | trans | -114.6 | 43 | -172.3 | -90.7 | -23.4 | 0 | 0 | 0 | 116.1 | | |
| 251 | R | 46.9 | Very low | 46.1 | Very low | 242 Ų | 242 | 156.2 Ų | 156.2 | 91% | 0.913 | 82% | 0.82 | S | S | * | * | S | Bend | trans | -95.7 | 14.9 | 175.3 | -67.7 | -168.2 | 88.1 | 171.6 | 6.5 | 116.1 | | |
| 252 | L | 47.6 | Very low | 46.2 | Very low | 178 Ų | 178 | 154.3 Ų | 154.3 | 93% | 0.932 | 82% | 0.816 | S | S | * | * | S | Bend | trans | -136.5 | 43.5 | -176.9 | -73.5 | 174.4 | 0 | 0 | 0 | 115.1 | | |
| 253 | A | 47.8 | Very low | 46.4 | Very low | 72 Ų | 72 | 155.8 Ų | 155.8 | 60% | 0.595 | 82% | 0.82 | S | S | * | * | S | Bend | trans | -142.4 | 112.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 254 | L | 44.9 | Very low | 46.4 | Very low | 164 Ų | 164 | 156.6 Ų | 156.6 | 86% | 0.859 | 82% | 0.823 | S | S | * | * | | | trans | 75 | 75.4 | 146.9 | -47.4 | 164.1 | 0 | 0 | 0 | 114.4 | | |
| 255 | L | 44.7 | Very low | 46 | Very low | 149 Ų | 149 | 152.8 Ų | 152.8 | 78% | 0.78 | 82% | 0.818 | S | S | * | * | | | | 21.6 | 112.6 | 78.1 | -86.9 | 165.8 | 0 | 0 | 0 | 114.3 | | |
| 256 | N | 44.7 | Very low | 45.7 | Very low | 155 Ų | 155 | 150.7 Ų | 150.7 | 83% | 0.829 | 83% | 0.825 | S | S | * | * | | | trans | 79.1 | 130.8 | 155.5 | -53.7 | -31.4 | 0 | 0 | 0 | 118.2 | | |
| 257 | G | 39.3 | Very low | 45.4 | Very low | 74 Ų | 74 | 148.1 Ų | 148.1 | 76% | 0.763 | 82% | 0.818 | S | S | * | * | | | trans | 141.1 | 102 | 143.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 258 | N | 44.8 | Very low | 45.1 | Very low | 150 Ų | 150 | 146 Ų | 146 | 80% | 0.802 | 82% | 0.815 | S | S | * | * | | | trans | -72.5 | 160.8 | 178.9 | -53 | -18 | 0 | 0 | 0 | 113.5 | | |
| 259 | D | 40.8 | Very low | 44.3 | Very low | 159 Ų | 159 | 141.3 Ų | 141.3 | 85% | 0.85 | 81% | 0.814 | S | S | * | * | | | trans | 45 | 123.1 | 141.3 | -69.7 | -34.8 | 0 | 0 | 0 | 121.4 | | |
| 260 | A | 40.9 | Very low | 43.6 | Very low | 96 Ų | 96 | 139.6 Ų | 139.6 | 79% | 0.793 | 82% | 0.815 | S | S | * | * | | | | 179.2 | 120.7 | 120.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 261 | R | 43.9 | Very low | 42.9 | Very low | 232 Ų | 232 | 138.1 Ų | 138.1 | 88% | 0.875 | 81% | 0.812 | S | S | * | * | | | trans | 33.7 | 129.7 | 130 | -74 | -179.3 | 163.8 | 178.6 | -5.1 | 122 | | |
| 262 | T | 42.9 | Very low | 42.7 | Very low | 127 Ų | 127 | 130.3 Ų | 130.3 | 78% | 0.779 | 81% | 0.807 | S | S | * | * | | | | 173.5 | 112.7 | 118.1 | 15 | 0 | 0 | 0 | 0 | 108.2 | | |
| 263 | D | 44.3 | Very low | 42.4 | Very low | 145 Ų | 145 | 129.7 Ų | 129.7 | 78% | 0.775 | 80% | 0.804 | S | S | * | * | | | | 92.9 | 143.9 | 77.4 | -80.5 | -18.9 | 0 | 0 | 0 | 114.9 | | |
| 264 | Q | 45.1 | Very low | 42 | Very low | 188 Ų | 188 | 129.7 Ų | 129.7 | 88% | 0.879 | 81% | 0.812 | S | S | * | * | | | trans | 99.1 | 103.3 | 167.6 | -48.4 | -138.9 | 33.3 | 0 | 0 | 116 | | |
| 265 | A | 41 | Very low | 41.7 | Very low | 98 Ų | 98 | 130.6 Ų | 130.6 | 81% | 0.81 | 81% | 0.811 | S | S | * | * | | | cis | 94.6 | 138.2 | 45 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 266 | S | 42.9 | Very low | 41.5 | Very low | 124 Ų | 124 | 127.9 Ų | 127.9 | 87% | 0.867 | 81% | 0.805 | S | S | * | * | | | trans | 110 | 138.4 | 164.4 | -166.3 | 0 | 0 | 0 | 0 | 116.4 | | |
| 267 | S | 40.7 | Very low | 41.2 | Very low | 93 Ų | 93 | 128 Ų | 128 | 65% | 0.65 | 81% | 0.805 | S | S | * | * | | | cis | 174.2 | 147.1 | -24.1 | 175.8 | 0 | 0 | 0 | 0 | 107.1 | | |
| 268 | C | 43.2 | Very low | 41.2 | Very low | 120 Ų | 120 | 129.8 Ų | 129.8 | 81% | 0.811 | 81% | 0.806 | S | S | * | * | | | trans | 53.1 | 135.4 | 156.7 | 60 | 0 | 0 | 0 | 0 | 120.1 | | |
| 269 | G | 36.3 | Very low | 40.9 | Very low | 79 Ų | 79 | 132.7 Ų | 132.7 | 81% | 0.814 | 81% | 0.811 | S | S | * | * | | | cis | 113.8 | 117 | 23.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 270 | S | 39.5 | Very low | 41.1 | Very low | 124 Ų | 124 | 130.4 Ų | 130.4 | 87% | 0.867 | 81% | 0.808 | S | S | * | * | | | trans | -177.2 | 136.8 | 147.4 | -165.3 | 0 | 0 | 0 | 0 | 113.6 | | |
| 271 | T | 39.1 | Very low | 41 | Very low | 131 Ų | 131 | 135.1 Ų | 135.1 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | | | trans | -82.7 | 160.6 | -179 | -24.3 | 0 | 0 | 0 | 0 | 112.7 | | |
| 272 | G | 43.3 | Very low | 41.1 | Very low | 78 Ų | 78 | 132.5 Ų | 132.5 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | | | trans | -177.3 | 96.1 | 167.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 273 | D | 39.8 | Very low | 40.8 | Very low | 165 Ų | 165 | 133.2 Ų | 133.2 | 88% | 0.882 | 81% | 0.812 | S | S | * | * | | | trans | -69.1 | 155.5 | 169.3 | -70.2 | -54.9 | 0 | 0 | 0 | 112.7 | | |
| 274 | G | 40.3 | Very low | 41 | Very low | 73 Ų | 73 | 134.1 Ų | 134.1 | 75% | 0.753 | 81% | 0.814 | S | S | * | * | | | trans | 176.6 | 71.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 275 | Q | 39.5 | Very low | 40.6 | Very low | 182 Ų | 182 | 132.7 Ų | 132.7 | 85% | 0.85 | 81% | 0.81 | S | S | * | * | | | trans | 20.9 | 134.8 | 139.1 | -70.2 | -174.6 | 3.2 | 0 | 0 | 122.1 | | |
| 276 | S | 38.7 | Very low | 40.3 | Very low | 92 Ų | 92 | 130.8 Ų | 130.8 | 64% | 0.643 | 80% | 0.801 | S | S | * | * | | | | 94.7 | 114.4 | 124.4 | -74.7 | 0 | 0 | 0 | 0 | 122.3 | | |
| 277 | L | 38.9 | Very low | 40.2 | Very low | 157 Ų | 157 | 132 Ų | 132 | 82% | 0.822 | 80% | 0.802 | S | S | * | * | | | | 91.6 | 131.6 | 125.2 | -64.6 | 171.8 | 0 | 0 | 0 | 121.8 | | |
| 278 | S | 39.4 | Very low | 40 | Very low | 113 Ų | 113 | 135.2 Ų | 135.2 | 79% | 0.79 | 81% | 0.807 | S | S | * | * | | | trans | 106.4 | 117.1 | 137 | -65.6 | 0 | 0 | 0 | 0 | 119.9 | | |
| 279 | K | 39.5 | Very low | 39.6 | Very low | 210 Ų | 210 | 137.5 Ų | 137.5 | 91% | 0.913 | 81% | 0.806 | S | S | * | * | | | trans | -62.2 | 142 | 161.1 | -69.4 | 169.7 | 169.2 | 178.5 | 0 | 111 | | |
| 280 | S | 44.6 | Very low | 39.7 | Very low | 111 Ų | 111 | 143.1 Ų | 143.1 | 78% | 0.776 | 81% | 0.811 | S | S | * | * | | | trans | -157.3 | 125.5 | 142.5 | 60.9 | 0 | 0 | 0 | 0 | 111.3 | | |
| 281 | E | 38.9 | Very low | 39.5 | Very low | 195 Ų | 195 | 145.9 Ų | 145.9 | 91% | 0.911 | 81% | 0.81 | S | S | * | * | | | trans | -61.8 | 137.4 | 165.5 | -173.7 | 175.3 | 149.5 | 0 | 0 | 110.4 | | |
| 282 | M | 45.5 | Very low | 39.4 | Very low | 177 Ų | 177 | 147.5 Ų | 147.5 | 87% | 0.872 | 81% | 0.814 | S | S | * | * | | | trans | -142.5 | 110.6 | 171.9 | -128.7 | 171.2 | 176.7 | 0 | 0 | 109.6 | | |
| 283 | D | 35.6 | Very low | 39 | Very low | 143 Ų | 143 | 149 Ų | 149 | 77% | 0.765 | 81% | 0.811 | S | S | * | * | | | trans | -72.8 | 136.9 | 167 | -164 | 9.4 | 0 | 0 | 0 | 109.2 | | |
| 284 | M | 49.1 | Very low | 38.9 | Very low | 163 Ų | 163 | 147.8 Ų | 147.8 | 80% | 0.803 | 81% | 0.809 | S | S | * | * | | | trans | -144.6 | 97 | 175.7 | -83 | -81.4 | -75.5 | 0 | 0 | 109.8 | | |
| 285 | I | 37.4 | Very low | 38.7 | Very low | 158 Ų | 158 | 153.5 Ų | 153.5 | 81% | 0.81 | 82% | 0.816 | S | S | * | * | | | trans | -84.3 | 132.6 | 157.8 | -68.9 | 173.2 | 0 | 0 | 0 | 108.4 | | |
| 286 | G | 33.5 | Very low | 38.8 | Very low | 59 Ų | 59 | 150.8 Ų | 150.8 | 61% | 0.608 | 81% | 0.812 | S | S | * | * | | | trans | 99.2 | 115 | 150.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 287 | V | 41.1 | Very low | 38.7 | Very low | 148 Ų | 148 | 153.8 Ų | 153.8 | 90% | 0.897 | 82% | 0.821 | S | S | * | * | | | trans | -153.2 | 129 | 131.7 | 175.2 | 0 | 0 | 0 | 0 | 108.3 | | |
| 288 | Q | 36 | Very low | 38.6 | Very low | 161 Ų | 161 | 154.1 Ų | 154.1 | 75% | 0.752 | 82% | 0.818 | S | S | * | * | | | trans | -98.4 | 159 | 174 | 170.9 | 154.1 | 3.3 | 0 | 0 | 109.9 | | |
| 289 | E | 36.8 | Very low | 38.4 | Very low | 169 Ų | 169 | 156.2 Ų | 156.2 | 79% | 0.79 | 82% | 0.821 | S | S | * | * | | | trans | 71.6 | 112.9 | 161.2 | -92.6 | 177.2 | 130 | 0 | 0 | 119.3 | | |
| 290 | Q | 37.5 | Very low | 38.2 | Very low | 197 Ų | 197 | 149.8 Ų | 149.8 | 92% | 0.921 | 81% | 0.814 | S | S | * | * | | | | -163.9 | 126.9 | 115.4 | -121 | 170.3 | 1.7 | 0 | 0 | 112.2 | | |
| 291 | Q | 35.5 | Very low | 37.8 | Very low | 181 Ų | 181 | 150.7 Ų | 150.7 | 85% | 0.846 | 82% | 0.815 | S | S | * | * | | | trans | -69.8 | 143.5 | 163.5 | -74.4 | 165.3 | -24.4 | 0 | 0 | 109.8 | | |
| 292 | D | 37.2 | Very low | 37.9 | Very low | 166 Ų | 166 | 149.1 Ų | 149.1 | 89% | 0.888 | 81% | 0.812 | S | S | * | * | | | trans | -153.2 | 140.3 | 140.5 | -135.2 | -14 | 0 | 0 | 0 | 112.1 | | |
| 293 | C | 33.7 | Very low | 37.6 | Very low | 110 Ų | 110 | 151.1 Ų | 151.1 | 74% | 0.743 | 82% | 0.816 | S | S | * | * | | | trans | -94 | 145.9 | -166.6 | -57.4 | 0 | 0 | 0 | 0 | 112.5 | | |
| 294 | V | 38.6 | Very low | 37.7 | Very low | 139 Ų | 139 | 147.6 Ų | 147.6 | 84% | 0.842 | 81% | 0.813 | S | S | * | * | | | trans | -145 | 104.5 | 152.3 | -177.7 | 0 | 0 | 0 | 0 | 110.3 | V296 | V294-V296 HydrophobicContact CG1-CG2 4.07Š|
| 295 | E | 36.9 | Very low | 37.4 | Very low | 192 Ų | 192 | 146.9 Ų | 146.9 | 90% | 0.897 | 82% | 0.818 | S | S | * | * | | | trans | -80.9 | 130.6 | 157.7 | -81.5 | -178.7 | 134.4 | 0 | 0 | 109.5 | | |
| 296 | V | 39.9 | Very low | 37.7 | Very low | 126 Ų | 126 | 143.4 Ų | 143.4 | 76% | 0.764 | 81% | 0.812 | S | S | * | * | | | trans | -141 | 103.6 | 155.7 | 179.1 | 0 | 0 | 0 | 0 | 110.6 | V294 | V294-V296 HydrophobicContact CG1-CG2 4.07Š|
| 297 | N | 37.2 | Very low | 38.2 | Very low | 154 Ų | 154 | 148.9 Ų | 148.9 | 82% | 0.824 | 83% | 0.828 | S | S | * | * | | | trans | 35.8 | 135.2 | 138.4 | -71.9 | -34.1 | 0 | 0 | 0 | 124 | | |
| 298 | Q | 37.4 | Very low | 38.1 | Very low | 165 Ų | 165 | 146.4 Ų | 146.4 | 77% | 0.771 | 82% | 0.823 | S | S | * | * | | | trans | -60.7 | 161.4 | 175.3 | -58.1 | 166.9 | 16.1 | 0 | 0 | 116.5 | | |
| 299 | N | 34.9 | Very low | 38.3 | Very low | 157 Ų | 157 | 144.7 Ų | 144.7 | 84% | 0.84 | 83% | 0.829 | S | S | * | * | | | trans | 99.7 | 112.1 | 151.9 | -58 | -28 | 0 | 0 | 0 | 118.5 | | |
| 300 | G | 35.4 | Very low | 38.5 | Very low | 75 Ų | 75 | 142.1 Ų | 142.1 | 77% | 0.773 | 83% | 0.829 | S | S | * | * | | | trans | 159.6 | 78 | 161.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 301 | T | 36.6 | Very low | 39 | Very low | 130 Ų | 130 | 137.2 Ų | 137.2 | 80% | 0.798 | 82% | 0.816 | S | S | * | * | | | trans | 19.6 | 116.5 | 139.3 | -48.4 | 0 | 0 | 0 | 0 | 121.8 | | |
| 302 | L | 39.4 | Very low | 40.6 | Very low | 162 Ų | 162 | 134.2 Ų | 134.2 | 85% | 0.848 | 81% | 0.812 | S | S | * | * | | | trans | 38.1 | 113.4 | 141 | -69.3 | 161.3 | 0 | 0 | 0 | 121.4 | | |
| 303 | K | 39.7 | Very low | 42.4 | Very low | 219 Ų | 219 | 133.6 Ų | 133.6 | 95% | 0.952 | 81% | 0.808 | S | S | * | * | | | | 177.3 | 136.1 | 128.2 | -118.7 | 174.8 | 172.1 | 178.9 | 0 | 114.5 | | |
| 304 | G | 38.3 | Very low | 44.7 | Very low | 69 Ų | 69 | 132 Ų | 132 | 71% | 0.711 | 79% | 0.792 | S | S | * | * | | | trans | 86.8 | 101.8 | 155.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 305 | V | 43.4 | Very low | 46.8 | Very low | 148 Ų | 148 | 129.2 Ų | 129.2 | 90% | 0.897 | 78% | 0.776 | S | S | * | * | | | | 61.4 | 112.7 | 68.7 | -171.9 | 0 | 0 | 0 | 0 | 113.5 | | |
| 306 | A | 43 | Very low | 48.9 | Very low | 84 Ų | 84 | 125.8 Ų | 125.8 | 69% | 0.694 | 76% | 0.76 | S | S | * | * | | | trans | 79.9 | 71.7 | 158.7 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 307 | D | 43.9 | Very low | 51 | Low | 175 Ų | 175 | 123.1 Ų | 123.1 | 94% | 0.936 | 75% | 0.751 | S | S | * | * | | | trans | -137.5 | 66.3 | 144.1 | -87.8 | -33.3 | 0 | 0 | 0 | 108.4 | | |
| 308 | A | 39.9 | Very low | 53.4 | Low | 96 Ų | 96 | 120 Ų | 120 | 79% | 0.793 | 73% | 0.731 | S | S | * | * | | | trans | -97.7 | 95.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 309 | S | 38.8 | Very low | 55.6 | Low | 125 Ų | 125 | 118.6 Ų | 118.6 | 87% | 0.874 | 72% | 0.719 | S | S | * | * | | | trans | 172.9 | 32 | 148.3 | 49.5 | 0 | 0 | 0 | 0 | 114.8 | | |
| 310 | S | 40.8 | Very low | 58.2 | Low | 114 Ų | 114 | 118.4 Ų | 118.4 | 80% | 0.797 | 71% | 0.706 | S | S | * | * | | | trans | -110.2 | 105.2 | 161.3 | -169.8 | 0 | 0 | 0 | 0 | 108.1 | | |
| 311 | C | 48.6 | Very low | 60.7 | Low | 95 Ų | 95 | 121.1 Ų | 121.1 | 64% | 0.642 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 131.4 | 173.5 | -66.3 | 0 | 0 | 0 | 0 | 108.7 | D313 | C311-D313 PolarHBondContact O-N 2.99Š|
| 312 | P | 68.2 | Low | 63.1 | Low | 118 Ų | 118 | 119.2 Ų | 119.2 | 77% | 0.766 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 124.7 | 173.9 | 25.3 | -31.4 | 0 | 0 | 0 | 108.8 | L314 | P312-L314 PolarHBondContact O-N 3.25Å; P312-L314 VanDerWaalsContact O-N 3.16Å |
| 313 | D | 75.6 | Confident | 65.4 | Low | 152 Ų | 152 | 114.3 Ų | 114.3 | 81% | 0.813 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 118.8 | 174.6 | -80.4 | -32.5 | 0 | 0 | 0 | 109 | C311 T315 | C311-D313 PolarHBondContact O-N 2.99Å; D313-T315 PolarHBondContact O-N 3.32Å |
| 314 | L | 81.2 | Confident | 67.7 | Low | 77 Ų | 77 | 108.7 Ų | 108.7 | 40% | 0.403 | 64% | 0.638 | S | S | . | * | P | Polyproline II helix | trans | -64.3 | 131 | 174.4 | -70.2 | 167 | 0 | 0 | 0 | 109.2 | P312 Q318 R319 L322 | P312-L314 PolarHBondContact O-N 3.25Å; P312-L314 VanDerWaalsContact O-N 3.16Å; L314-Q318 HydrophobicContact CB-CB 4.31Å; L314-Q318 HydrophobicContact CD2-CB 4.1Å; L314-R319 HydrophobicContact CB-CG 3.94Å; L314-R319 PolarHBondContact O-NE 3.39Å; L314-R319 PolarHBondContact O-NH2 3.09Å; L314-L322 HydrophobicContact CD1-CD1 3.8Å |
| 315 | T | 82.9 | Confident | 70 | Confident | 81 Ų | 81 | 110.5 Ų | 110.5 | 50% | 0.497 | 63% | 0.628 | S | S | . | * | P | Polyproline II helix | trans | -57.1 | 151.4 | 171.1 | 57.5 | 0 | 0 | 0 | 0 | 110.1 | D313 A317 Q318 R319 | D313-T315 PolarHBondContact O-N 3.32Å; T315-A317 PolarHBondContact O-N 3.15Å; T315-Q318 VanDerWaalsContact N-OE1 3.12Å; T315-Q318 PolarHBondContact O-N 3.24Å; T315-Q318 VanDerWaalsContact OG1-CD 3.27Å; T315-Q318 VanDerWaalsContact OG1-CG 3.26Å; T315-Q318 WeakPolarHBondContact OG1-CG 3.43Å; T315-Q318 PolarHBondContact OG1-N 3.08Å; T315-Q318 PolarHBondContact OG1-OE1 3.49Å; T315-R319 PolarHBondContact O-N 3.12Å |
| 316 | E | 82.2 | Confident | 71.8 | Confident | 120 Ų | 120 | 107 Ų | 107 | 56% | 0.561 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -57.3 | -33.7 | -179.9 | -169.8 | -179.5 | 174.5 | 0 | 0 | 112 | R319 R320 | E316-R319 PolarHBondContact O-N 3.26Å; E316-R320 WeakPolarHBondContact O-CG 3.38Å; E316-R320 PolarHBondContact O-N 3.35Å; E316-R320 IonicContact OE1-CZ 3.19Å; E316-R320 IonicContact OE1-NE 3.75Å; E316-R320 IonicContact OE1-NH1 3.77Å; E316-R320 IonicContact OE1-NH2 2.67Å; E316-R320 PolarHBondContact OE1-NH2 3.5Å |
| 317 | A | 83.8 | Confident | 73.7 | Confident | 70 Ų | 70 | 105 Ų | 105 | 58% | 0.579 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -63.2 | -45 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | T315 R319 R320 Q321 | T315-A317 PolarHBondContact O-N 3.15Å; A317-R319 VanDerWaalsContact C-N 3.34Å; A317-R319 PolarHBondContact O-N 2.94Å; A317-R320 PolarHBondContact O-N 3.41Å; A317-Q321 PolarHBondContact O-N 2.99Å |
| 318 | Q | 87.9 | Confident | 75.4 | Confident | 88 Ų | 88 | 99.5 Ų | 99.5 | 41% | 0.411 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -65.5 | -37.4 | 175.7 | -74.5 | 167.5 | -33.4 | 0 | 0 | 111.9 | L314 T315 Q321 L322 | L314-Q318 HydrophobicContact CB-CB 4.31Å; L314-Q318 HydrophobicContact CD2-CB 4.1Å; T315-Q318 VanDerWaalsContact N-OE1 3.12Å; T315-Q318 PolarHBondContact O-N 3.24Å; T315-Q318 VanDerWaalsContact OG1-CD 3.27Å; T315-Q318 VanDerWaalsContact OG1-CG 3.26Å; T315-Q318 WeakPolarHBondContact OG1-CG 3.43Å; T315-Q318 PolarHBondContact OG1-N 3.08Å; T315-Q318 PolarHBondContact OG1-OE1 3.49Å; Q318-Q321 PolarHBondContact O-N 2.92Å; Q318-L322 WeakPolarHBondContact O-CG 3.5Å; Q318-L322 PolarHBondContact O-N 3.36Å |
| 319 | R | 84.1 | Confident | 77.2 | Confident | 136 Ų | 136 | 100 Ų | 100 | 51% | 0.513 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.9 | -43.3 | 173.7 | -80.9 | -175 | -107.6 | -169.2 | -7.1 | 112.1 | L314 T315 E316 A317 L323 | L314-R319 HydrophobicContact CB-CG 3.94Å; L314-R319 PolarHBondContact O-NE 3.39Å; L314-R319 PolarHBondContact O-NH2 3.09Å; T315-R319 PolarHBondContact O-N 3.12Å; E316-R319 PolarHBondContact O-N 3.26Å; A317-R319 VanDerWaalsContact C-N 3.34Å; A317-R319 PolarHBondContact O-N 2.94Å; R319-L323 PolarHBondContact O-N 3.16Å |
| 320 | R | 87.6 | Confident | 78.7 | Confident | 152 Ų | 152 | 98.3 Ų | 98.3 | 57% | 0.574 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63 | -45.4 | 175.8 | -76.2 | 178.1 | 178.6 | 153.5 | 1.9 | 111.7 | E316 A317 L322 L323 D324 | E316-R320 WeakPolarHBondContact O-CG 3.38Å; E316-R320 PolarHBondContact O-N 3.35Å; E316-R320 IonicContact OE1-CZ 3.19Å; E316-R320 IonicContact OE1-NE 3.75Å; E316-R320 IonicContact OE1-NH1 3.77Å; E316-R320 IonicContact OE1-NH2 2.67Å; E316-R320 PolarHBondContact OE1-NH2 3.5Å; A317-R320 PolarHBondContact O-N 3.41Å; R320-L322 PolarHBondContact O-N 3.27Å; R320-L323 WeakPolarHBondContact O-CB 3.49Å; R320-L323 PolarHBondContact O-N 2.98Å; R320-L323 VanDerWaalsContact O-N 3.14Å; R320-D324 PolarHBondContact O-N 3.39Å |
| 321 | Q | 89.5 | Confident | 80 | Confident | 132 Ų | 132 | 99.1 Ų | 99.1 | 62% | 0.617 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -60 | -44 | 178.1 | -173.8 | 178.5 | -6.1 | 0 | 0 | 112.5 | A317 Q318 L323 D324 E325 | A317-Q321 PolarHBondContact O-N 2.99Å; Q318-Q321 PolarHBondContact O-N 2.92Å; Q321-L323 VanDerWaalsContact C-N 3.32Å; Q321-L323 PolarHBondContact O-N 3.1Å; Q321-D324 PolarHBondContact O-N 2.99Å; Q321-E325 WeakPolarHBondContact O-CB 3.46Å; Q321-E325 PolarHBondContact O-N 3.26Å |
| 322 | L | 87.1 | Confident | 80.7 | Confident | 91 Ų | 91 | 99.4 Ų | 99.4 | 48% | 0.476 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.5 | -35.3 | 176 | -73 | 168.7 | 0 | 0 | 0 | 112.4 | L314 Q318 R320 F326 | L314-L322 HydrophobicContact CD1-CD1 3.8Å; Q318-L322 WeakPolarHBondContact O-CG 3.5Å; Q318-L322 PolarHBondContact O-N 3.36Å; R320-L322 PolarHBondContact O-N 3.27Å; L322-F326 VanDerWaalsContact O-CB 3.23Å; L322-F326 WeakPolarHBondContact O-CB 3.37Å; L322-F326 PolarHBondContact O-N 3.45Å |
| 323 | L | 88 | Confident | 80.3 | Confident | 59 Ų | 59 | 98.9 Ų | 98.9 | 31% | 0.309 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66.8 | -40.9 | 175 | -125.7 | 75.8 | 0 | 0 | 0 | 111.8 | R319 R320 Q321 F326 N327 | R319-L323 PolarHBondContact O-N 3.16Å; R320-L323 WeakPolarHBondContact O-CB 3.49Å; R320-L323 PolarHBondContact O-N 2.98Å; R320-L323 VanDerWaalsContact O-N 3.14Å; Q321-L323 VanDerWaalsContact C-N 3.32Å; Q321-L323 PolarHBondContact O-N 3.1Å; L323-F326 PolarHBondContact O-N 2.93Å; L323-N327 WeakPolarHBondContact O-CB 3.44Å; L323-N327 PolarHBondContact O-N 3.21Å; L323-N327 PolarHBondContact O-ND2 3.23Å; L323-N327 VanDerWaalsContact O-ND2 3.07Å |
| 324 | D | 87 | Confident | 79.4 | Confident | 100 Ų | 100 | 98.8 Ų | 98.8 | 54% | 0.535 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -67.5 | -41.4 | 178.4 | -68.2 | -22 | 0 | 0 | 0 | 111 | R320 Q321 N327 A328 | R320-D324 PolarHBondContact O-N 3.39Å; Q321-D324 PolarHBondContact O-N 2.99Å; D324-N327 PolarHBondContact O-N 2.89Å; D324-A328 WeakPolarHBondContact O-CB 3.48Å; D324-A328 PolarHBondContact O-N 3.35Å |
| 325 | E | 86.1 | Confident | 77.9 | Confident | 108 Ų | 108 | 102.3 Ų | 102.3 | 51% | 0.505 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.1 | -38.7 | 174.5 | -169.1 | 169.8 | -169.7 | 0 | 0 | 112 | Q321 A328 Q329 | Q321-E325 WeakPolarHBondContact O-CB 3.46Å; Q321-E325 PolarHBondContact O-N 3.26Å; E325-A328 PolarHBondContact O-N 3.41Å; E325-Q329 WeakPolarHBondContact O-CG 3.3Å; E325-Q329 PolarHBondContact O-N 3.25Å; E325-Q329 VanDerWaalsContact O-N 3.08Å |
| 326 | F | 81.6 | Confident | 76.6 | Confident | 74 Ų | 74 | 104.6 Ų | 104.6 | 33% | 0.325 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.4 | -46.6 | 173.9 | 179.2 | -95.3 | 0 | 0 | 0 | 112.4 | P221 L322 L323 A328 Q329 M330 | P221-F326 HydrophobicContact CB-CD2 4.3Å; P221-F326 HydrophobicContact CB-CE2 3.52Å; P221-F326 HydrophobicContact CB-CZ 4.42Å; P221-F326 HydrophobicContact CG-CE2 3.54Å; P221-F326 HydrophobicContact CG-CZ 4.2Å; L322-F326 VanDerWaalsContact O-CB 3.23Å; L322-F326 WeakPolarHBondContact O-CB 3.37Å; L322-F326 PolarHBondContact O-N 3.45Å; L323-F326 PolarHBondContact O-N 2.93Å; F326-A328 VanDerWaalsContact C-N 3.33Å; F326-A328 PolarHBondContact O-N 3.05Å; F326-Q329 PolarHBondContact O-N 3.07Å; F326-M330 HydrophobicContact CD1-CG 4.28Å; F326-M330 HydrophobicContact CE1-CG 3.78Å; F326-M330 HydrophobicContact CZ-CG 3.94Å; F326-M330 HydrophobicContact CZ-SD 4.32Å; F326-M330 PolarHBondContact O-N 3Å |
| 327 | N | 83.2 | Confident | 75.4 | Confident | 43 Ų | 43 | 100.9 Ų | 100.9 | 23% | 0.23 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -64 | -39.8 | 178.7 | -70 | -32.4 | 0 | 0 | 0 | 111.5 | L323 D324 Q329 M330 E331 | L323-N327 WeakPolarHBondContact O-CB 3.44Å; L323-N327 PolarHBondContact O-N 3.21Å; L323-N327 PolarHBondContact O-ND2 3.23Å; L323-N327 VanDerWaalsContact O-ND2 3.07Å; D324-N327 PolarHBondContact O-N 2.89Å; N327-Q329 VanDerWaalsContact C-N 3.32Å; N327-Q329 PolarHBondContact O-N 3.34Å; N327-M330 PolarHBondContact O-N 3.14Å; N327-E331 PolarHBondContact O-N 3.44Å |
| 328 | A | 80.3 | Confident | 74.1 | Confident | 58 Ų | 58 | 101.8 Ų | 101.8 | 48% | 0.479 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.9 | -37.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | D324 E325 F326 H332 | D324-A328 WeakPolarHBondContact O-CB 3.48Å; D324-A328 PolarHBondContact O-N 3.35Å; E325-A328 PolarHBondContact O-N 3.41Å; F326-A328 VanDerWaalsContact C-N 3.33Å; F326-A328 PolarHBondContact O-N 3.05Å; A328-H332 PolarHBondContact O-N 3.16Å |
| 329 | Q | 76.4 | Confident | 73.1 | Confident | 108 Ų | 108 | 102 Ų | 102 | 51% | 0.505 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.9 | -41.6 | 173.8 | -73.4 | -177.5 | 4.6 | 0 | 0 | 111.9 | E325 F326 N327 E331 H332 F333 | E325-Q329 WeakPolarHBondContact O-CG 3.3Å; E325-Q329 PolarHBondContact O-N 3.25Å; E325-Q329 VanDerWaalsContact O-N 3.08Å; F326-Q329 PolarHBondContact O-N 3.07Å; N327-Q329 VanDerWaalsContact C-N 3.32Å; N327-Q329 PolarHBondContact O-N 3.34Å; Q329-E331 PolarHBondContact O-N 3.14Å; Q329-H332 WeakPolarHBondContact O-CB 3.43Å; Q329-H332 PolarHBondContact O-N 3.47Å; Q329-H332 VanDerWaalsContact O-N 3.15Å; Q329-F333 VanDerWaalsContact O-CD2 3.3Å; Q329-F333 WeakPolarHBondContact O-CD2 3.23Å; Q329-F333 PolarHBondContact O-N 2.85Å |
| 330 | M | 71.3 | Confident | 72.3 | Confident | 88 Ų | 88 | 99.6 Ų | 99.6 | 43% | 0.433 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.7 | -42 | 176.5 | -77 | -62.4 | -54.8 | 0 | 0 | 112.3 | F326 N327 H332 F333 E334 | F326-M330 HydrophobicContact CD1-CG 4.28Å; F326-M330 HydrophobicContact CE1-CG 3.78Å; F326-M330 HydrophobicContact CZ-CG 3.94Å; F326-M330 HydrophobicContact CZ-SD 4.32Å; F326-M330 PolarHBondContact O-N 3Å; N327-M330 PolarHBondContact O-N 3.14Å; M330-H332 VanDerWaalsContact C-N 3.25Å; M330-H332 PolarHBondContact O-N 3.16Å; M330-F333 PolarHBondContact O-N 3.5Å; M330-F333 VanDerWaalsContact O-N 3.16Å; M330-E334 PolarHBondContact O-N 3.16Å |
| 331 | E | 67.6 | Low | 71.3 | Confident | 132 Ų | 132 | 96 Ų | 96 | 62% | 0.617 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -60.2 | -36.5 | 173.9 | -75.5 | -175.9 | 174.3 | 0 | 0 | 111.9 | N327 Q329 M335 | N327-E331 PolarHBondContact O-N 3.44Å; Q329-E331 PolarHBondContact O-N 3.14Å; E331-M335 WeakPolarHBondContact O-CG 3.4Å; E331-M335 PolarHBondContact O-N 3.15Å; E331-M335 VanDerWaalsContact O-N 3.1Å |
| 332 | H | 64.1 | Low | 70.2 | Confident | 100 Ų | 100 | 95 Ų | 95 | 46% | 0.463 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -70.1 | -36.9 | 175.7 | -170.1 | -86.4 | 0 | 0 | 0 | 112.6 | A328 Q329 M330 M335 Q336 | A328-H332 PolarHBondContact O-N 3.16Å; Q329-H332 WeakPolarHBondContact O-CB 3.43Å; Q329-H332 PolarHBondContact O-N 3.47Å; Q329-H332 VanDerWaalsContact O-N 3.15Å; M330-H332 VanDerWaalsContact C-N 3.25Å; M330-H332 PolarHBondContact O-N 3.16Å; H332-M335 PolarHBondContact O-N 2.78Å; H332-Q336 PolarHBondContact CE1-NE2 3.49Å; H332-Q336 PolarHBondContact O-N 3.29Å; H332-Q336 VanDerWaalsContact O-N 3.12Å |
| 333 | F | 58.2 | Low | 69.3 | Low | 107 Ų | 107 | 95.9 Ų | 95.9 | 47% | 0.469 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -68.2 | -38.6 | 174.5 | -88.4 | -76.5 | 0 | 0 | 0 | 112.5 | P218 Q329 M330 M335 Q336 S337 | P218-F333 HydrophobicContact CB-CZ 4.13Å; P218-F333 HydrophobicContact CG-CE1 4.14Å; P218-F333 HydrophobicContact CG-CZ 3.89Å; Q329-F333 VanDerWaalsContact O-CD2 3.3Å; Q329-F333 WeakPolarHBondContact O-CD2 3.23Å; Q329-F333 PolarHBondContact O-N 2.85Å; M330-F333 PolarHBondContact O-N 3.5Å; M330-F333 VanDerWaalsContact O-N 3.16Å; F333-M335 VanDerWaalsContact C-N 3.32Å; F333-Q336 CarbonylContact O-C 3.58Å; F333-Q336 PolarHBondContact O-N 2.84Å; F333-Q336 VanDerWaalsContact O-N 3.16Å; F333-S337 PolarHBondContact O-N 3.23Å; F333-S337 VanDerWaalsContact O-N 3.16Å |
| 334 | E | 57.9 | Low | 68.2 | Low | 151 Ų | 151 | 96.2 Ų | 96.2 | 71% | 0.706 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -67.7 | -35 | 177.2 | -161.7 | 168.6 | -170.1 | 0 | 0 | 111.3 | M330 Q336 S337 | M330-E334 PolarHBondContact O-N 3.16Å; E334-Q336 VanDerWaalsContact C-N 3.32Å; E334-Q336 PolarHBondContact O-N 2.76Å; E334-S337 PolarHBondContact O-OG 3.45Å |
| 335 | M | 48.8 | Very low | 67.2 | Low | 150 Ų | 150 | 96.1 Ų | 96.1 | 74% | 0.739 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -71.6 | -21.3 | 171.4 | -75.5 | -169.6 | -73.5 | 0 | 0 | 114.3 | E331 H332 F333 | E331-M335 WeakPolarHBondContact O-CG 3.4Å; E331-M335 PolarHBondContact O-N 3.15Å; E331-M335 VanDerWaalsContact O-N 3.1Å; H332-M335 PolarHBondContact O-N 2.78Å; F333-M335 VanDerWaalsContact C-N 3.32Å |
| 336 | Q | 55.7 | Low | 66.2 | Low | 129 Ų | 129 | 97.3 Ų | 97.3 | 60% | 0.603 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.8 | 9.2 | 178 | -75.2 | -166.8 | -15.2 | 0 | 0 | 114.1 | H332 F333 E334 N338 | H332-Q336 PolarHBondContact CE1-NE2 3.49Å; H332-Q336 PolarHBondContact O-N 3.29Å; H332-Q336 VanDerWaalsContact O-N 3.12Å; F333-Q336 CarbonylContact O-C 3.58Å; F333-Q336 PolarHBondContact O-N 2.84Å; F333-Q336 VanDerWaalsContact O-N 3.16Å; E334-Q336 VanDerWaalsContact C-N 3.32Å; E334-Q336 PolarHBondContact O-N 2.76Å; Q336-N338 PolarHBondContact O-N 2.85Å; Q336-N338 VanDerWaalsContact O-N 3.14Å |
| 337 | S | 57 | Low | 65.4 | Low | 43 Ų | 43 | 99.7 Ų | 99.7 | 30% | 0.301 | 51% | 0.512 | S | S | . | . | | | trans | -54.4 | 125.5 | 175.7 | 68 | 0 | 0 | 0 | 0 | 109.9 | F333 E334 Q342 | F333-S337 PolarHBondContact O-N 3.23Å; F333-S337 VanDerWaalsContact O-N 3.16Å; E334-S337 PolarHBondContact O-OG 3.45Å; S337-Q342 WeakPolarHBondContact OG-CG 3.29Å; S337-Q342 PolarHBondContact OG-NE2 2.91Å |
| 338 | N | 56.5 | Low | 64.3 | Low | 88 Ų | 88 | 101.9 Ų | 101.9 | 47% | 0.471 | 52% | 0.523 | S | S | . | . | | | trans | -51.3 | 128.2 | -176.8 | -178.4 | -21 | 0 | 0 | 0 | 109.5 | Q336 V340 V341 Q342 | Q336-N338 PolarHBondContact O-N 2.85Å; Q336-N338 VanDerWaalsContact O-N 3.14Å; N338-V340 PolarHBondContact O-N 3.47Å; N338-V340 WeakPolarHBondContact OD1-CB 3.41Å; N338-V340 WeakPolarHBondContact OD1-CG2 3.32Å; N338-V340 PolarHBondContact OD1-N 3.46Å; N338-V341 HydrophobicContact CB-CB 4.47Å; N338-V341 HydrophobicContact CB-CG2 4.06Å; N338-V341 WeakPolarHBondContact O-CB 3.22Å; N338-V341 PolarHBondContact O-N 2.77Å; N338-Q342 PolarHBondContact O-N 3.36Å; N338-Q342 VanDerWaalsContact O-N 3.15Å |
| 339 | P | 67.9 | Low | 63.5 | Low | 94 Ų | 94 | 105.2 Ų | 105.2 | 61% | 0.61 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -54.3 | -28.2 | -179.9 | 21.6 | -34 | 0 | 0 | 0 | 112.3 | Q342 Q343 | P339-Q342 PolarHBondContact O-N 3.31Å; P339-Q343 VanDerWaalsContact O-CB 3.24Å; P339-Q343 WeakPolarHBondContact O-CB 3.47Å; P339-Q343 PolarHBondContact O-N 3.02Å |
| 340 | V | 66.6 | Low | 62.8 | Low | 84 Ų | 84 | 105.2 Ų | 105.2 | 51% | 0.509 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.8 | -41.4 | 174.3 | -178.4 | 0 | 0 | 0 | 0 | 111.7 | N338 Q343 T344 | N338-V340 PolarHBondContact O-N 3.47Å; N338-V340 WeakPolarHBondContact OD1-CB 3.41Å; N338-V340 WeakPolarHBondContact OD1-CG2 3.32Å; N338-V340 PolarHBondContact OD1-N 3.46Å; V340-Q343 PolarHBondContact O-N 3.39Å; V340-T344 PolarHBondContact O-N 2.85Å; V340-T344 PolarHBondContact O-OG1 3.19Å |
| 341 | V | 65.8 | Low | 61.8 | Low | 78 Ų | 78 | 105.8 Ų | 105.8 | 47% | 0.473 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -69.6 | -39.7 | 178.1 | 176.6 | 0 | 0 | 0 | 0 | 110.6 | N338 Q343 T344 L345 | N338-V341 HydrophobicContact CB-CB 4.47Å; N338-V341 HydrophobicContact CB-CG2 4.06Å; N338-V341 WeakPolarHBondContact O-CB 3.22Å; N338-V341 PolarHBondContact O-N 2.77Å; V341-Q343 VanDerWaalsContact C-N 3.31Å; V341-Q343 PolarHBondContact O-N 3.35Å; V341-T344 PolarHBondContact O-N 3.42Å; V341-L345 HydrophobicContact CG1-CD1 4.06Å; V341-L345 WeakPolarHBondContact O-CB 3.42Å; V341-L345 WeakPolarHBondContact O-CG 3.21Å; V341-L345 PolarHBondContact O-N 2.8Å |
| 342 | Q | 66.9 | Low | 61.2 | Low | 109 Ų | 109 | 107.5 Ų | 107.5 | 51% | 0.509 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -62.1 | -41.2 | 172.2 | -70.4 | -168.8 | -7.8 | 0 | 0 | 111.4 | S337 N338 P339 L345 Q346 | S337-Q342 WeakPolarHBondContact OG-CG 3.29Å; S337-Q342 PolarHBondContact OG-NE2 2.91Å; N338-Q342 PolarHBondContact O-N 3.36Å; N338-Q342 VanDerWaalsContact O-N 3.15Å; P339-Q342 PolarHBondContact O-N 3.31Å; Q342-L345 PolarHBondContact O-N 2.8Å; Q342-Q346 WeakPolarHBondContact O-CB 3.47Å; Q342-Q346 PolarHBondContact O-N 3.31Å |
| 343 | Q | 68.5 | Low | 60.7 | Low | 111 Ų | 111 | 106.1 Ų | 106.1 | 52% | 0.519 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -68.4 | -41.7 | 178.8 | -163.4 | 173.1 | 20.3 | 0 | 0 | 111.9 | P339 V340 V341 Q346 E347 | P339-Q343 VanDerWaalsContact O-CB 3.24Å; P339-Q343 WeakPolarHBondContact O-CB 3.47Å; P339-Q343 PolarHBondContact O-N 3.02Å; V340-Q343 PolarHBondContact O-N 3.39Å; V341-Q343 VanDerWaalsContact C-N 3.31Å; V341-Q343 PolarHBondContact O-N 3.35Å; Q343-Q346 CarbonylContact O-C 3.47Å; Q343-Q346 PolarHBondContact O-N 2.74Å; Q343-E347 WeakPolarHBondContact O-CB 3.13Å; Q343-E347 WeakPolarHBondContact O-CG 3.48Å; Q343-E347 PolarHBondContact O-N 3.07Å |
| 344 | T | 64.6 | Low | 60.5 | Low | 66 Ų | 66 | 109.7 Ų | 109.7 | 41% | 0.405 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -65.8 | -40.9 | 174.5 | -52.6 | 0 | 0 | 0 | 0 | 111.7 | V340 V341 Q346 E347 L348 | V340-T344 PolarHBondContact O-N 2.85Å; V340-T344 PolarHBondContact O-OG1 3.19Å; V341-T344 PolarHBondContact O-N 3.42Å; T344-Q346 VanDerWaalsContact C-N 3.31Å; T344-Q346 PolarHBondContact O-N 3.04Å; T344-E347 PolarHBondContact O-N 2.97Å; T344-L348 HydrophobicContact CG2-CD1 4.15Å; T344-L348 WeakPolarHBondContact O-CB 3.49Å; T344-L348 WeakPolarHBondContact O-CG 3.39Å; T344-L348 PolarHBondContact O-N 3.22Å |
| 345 | L | 66.2 | Low | 60.1 | Low | 98 Ų | 98 | 107.5 Ų | 107.5 | 51% | 0.513 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -63.1 | -39.6 | 172.7 | -80.7 | 165.3 | 0 | 0 | 0 | 111.3 | V341 Q342 L348 L349 | V341-L345 HydrophobicContact CG1-CD1 4.06Å; V341-L345 WeakPolarHBondContact O-CB 3.42Å; V341-L345 WeakPolarHBondContact O-CG 3.21Å; V341-L345 PolarHBondContact O-N 2.8Å; Q342-L345 PolarHBondContact O-N 2.8Å; L345-L348 PolarHBondContact O-N 3.23Å; L345-L349 WeakPolarHBondContact O-CB 3.36Å; L345-L349 WeakPolarHBondContact O-CD1 3.48Å; L345-L349 PolarHBondContact O-N 3.43Å |
| 346 | Q | 66.1 | Low | 59.7 | Low | 133 Ų | 133 | 104.3 Ų | 104.3 | 62% | 0.621 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -69.5 | -40.4 | 178 | -165.1 | 164.6 | 62 | 0 | 0 | 112 | Q342 Q343 T344 L348 L349 V350 | Q342-Q346 WeakPolarHBondContact O-CB 3.47Å; Q342-Q346 PolarHBondContact O-N 3.31Å; Q343-Q346 CarbonylContact O-C 3.47Å; Q343-Q346 PolarHBondContact O-N 2.74Å; T344-Q346 VanDerWaalsContact C-N 3.31Å; T344-Q346 PolarHBondContact O-N 3.04Å; Q346-L348 VanDerWaalsContact C-N 3.35Å; Q346-L349 PolarHBondContact O-N 2.8Å; Q346-V350 HydrophobicContact CG-CG2 4.2Å; Q346-V350 WeakPolarHBondContact O-CB 3.36Å; Q346-V350 WeakPolarHBondContact O-CG2 3.18Å; Q346-V350 PolarHBondContact O-N 2.69Å |
| 347 | E | 64.2 | Low | 59.4 | Low | 124 Ų | 124 | 102 Ų | 102 | 58% | 0.579 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -62.6 | -41 | 171.7 | -77.8 | 178.6 | 175.1 | 0 | 0 | 111.4 | Q343 T344 L349 D351 | Q343-E347 WeakPolarHBondContact O-CB 3.13Å; Q343-E347 WeakPolarHBondContact O-CG 3.48Å; Q343-E347 PolarHBondContact O-N 3.07Å; T344-E347 PolarHBondContact O-N 2.97Å; E347-L349 VanDerWaalsContact C-N 3.26Å; E347-L349 PolarHBondContact O-N 3Å; E347-D351 PolarHBondContact O-N 3.27Å |
| 348 | L | 60.1 | Low | 59.2 | Low | 89 Ų | 89 | 101.7 Ų | 101.7 | 47% | 0.466 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -67.3 | -23.2 | 174.9 | -72 | 170 | 0 | 0 | 0 | 113.5 | T344 L345 Q346 I359 | T344-L348 HydrophobicContact CG2-CD1 4.15Å; T344-L348 WeakPolarHBondContact O-CB 3.49Å; T344-L348 WeakPolarHBondContact O-CG 3.39Å; T344-L348 PolarHBondContact O-N 3.22Å; L345-L348 PolarHBondContact O-N 3.23Å; Q346-L348 VanDerWaalsContact C-N 3.35Å; L348-I359 HydrophobicContact CD2-CD1 3.85Å |
| 349 | L | 63.2 | Low | 59.4 | Low | 127 Ų | 127 | 103.5 Ų | 103.5 | 67% | 0.665 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -92.3 | -31 | 177.2 | -97 | 78.3 | 0 | 0 | 0 | 113.5 | L345 Q346 E347 | L345-L349 WeakPolarHBondContact O-CB 3.36Å; L345-L349 WeakPolarHBondContact O-CD1 3.48Å; L345-L349 PolarHBondContact O-N 3.43Å; Q346-L349 PolarHBondContact O-N 2.8Å; E347-L349 VanDerWaalsContact C-N 3.26Å; E347-L349 PolarHBondContact O-N 3Å |
| 350 | V | 61.2 | Low | 59.3 | Low | 109 Ų | 109 | 105.3 Ų | 105.3 | 66% | 0.661 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -79.6 | -21.9 | -176.2 | 170.7 | 0 | 0 | 0 | 0 | 112.2 | Q346 E352 | Q346-V350 HydrophobicContact CG-CG2 4.2Å; Q346-V350 WeakPolarHBondContact O-CB 3.36Å; Q346-V350 WeakPolarHBondContact O-CG2 3.18Å; Q346-V350 PolarHBondContact O-N 2.69Å; V350-E352 PolarHBondContact O-N 2.86Å |
| 351 | D | 51.6 | Low | 59.9 | Low | 99 Ų | 99 | 103.6 Ų | 103.6 | 53% | 0.529 | 60% | 0.595 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.8 | 6.5 | -174.6 | -138.4 | 15.2 | 0 | 0 | 0 | 114.9 | E347 G353 | E347-D351 PolarHBondContact O-N 3.27Å; D351-G353 VanDerWaalsContact C-N 3.27Å; D351-G353 PolarHBondContact O-N 3.16Å |
| 352 | E | 54.5 | Low | 60.5 | Low | 169 Ų | 169 | 104.7 Ų | 104.7 | 79% | 0.79 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.5 | -10.6 | 174.9 | -65.7 | -145 | 145.4 | 0 | 0 | 113.7 | V350 | V350-E352 PolarHBondContact O-N 2.86Š|
| 353 | G | 53.3 | Low | 61.1 | Low | 70 Ų | 70 | 109 Ų | 109 | 72% | 0.722 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -99 | -12.4 | -168.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | D351 | D351-G353 VanDerWaalsContact C-N 3.27Å; D351-G353 PolarHBondContact O-N 3.16Å |
| 354 | K | 53 | Low | 61.6 | Low | 182 Ų | 182 | 106.3 Ų | 106.3 | 79% | 0.791 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -138.7 | 108.5 | -174 | -84.1 | 179.8 | 177.2 | 175.2 | 0 | 112.3 | | |
| 355 | A | 50.3 | Low | 62.4 | Low | 105 Ų | 105 | 108.2 Ų | 108.2 | 87% | 0.868 | 61% | 0.606 | S | S | * | * | S | Bend | trans | 50.9 | 73.9 | 158 | 0 | 0 | 0 | 0 | 0 | 116.3 | A357 | A355-A357 PolarHBondContact O-N 2.95Š|
| 356 | G | 41.6 | Very low | 63.4 | Low | 84 Ų | 84 | 105.8 Ų | 105.8 | 87% | 0.866 | 60% | 0.6 | S | S | * | * | S | Bend | trans | 66.6 | 46.9 | 130.4 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 357 | A | 47.6 | Very low | 64.6 | Low | 81 Ų | 81 | 104 Ų | 104 | 67% | 0.669 | 59% | 0.594 | S | S | * | * | | | trans | -156.9 | 45.9 | 159.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | A355 I359 | A355-A357 PolarHBondContact O-N 2.95Å; A357-I359 PolarHBondContact O-N 3.24Å; A357-I359 VanDerWaalsContact O-N 3.13Å |
| 358 | G | 53.5 | Low | 65.6 | Low | 35 Ų | 35 | 100.6 Ų | 100.6 | 36% | 0.361 | 58% | 0.58 | S | S | . | * | | | trans | -53.4 | 122.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | R360 R365 | G358-R360 PolarHBondContact O-N 2.97Å; G358-R365 PolarHBondContact O-NH2 3.36Å |
| 359 | I | 60 | Low | 67.1 | Low | 127 Ų | 127 | 103.8 Ų | 103.8 | 65% | 0.651 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -53.6 | -16.2 | -175.8 | -62 | 160.7 | 0 | 0 | 0 | 112.6 | L348 A357 S361 | L348-I359 HydrophobicContact CD2-CD1 3.85Å; A357-I359 PolarHBondContact O-N 3.24Å; A357-I359 VanDerWaalsContact O-N 3.13Å; I359-S361 PolarHBondContact O-N 2.81Å |
| 360 | R | 66.6 | Low | 68.6 | Low | 131 Ų | 131 | 103.9 Ų | 103.9 | 49% | 0.494 | 58% | 0.583 | S | S | . | * | S | Bend | trans | -71.9 | 119.9 | 174.2 | -64.7 | -174.2 | -175.8 | -153.8 | 1.7 | 110.8 | G358 V364 R365 D368 | G358-R360 PolarHBondContact O-N 2.97Å; R360-V364 HydrophobicContact CB-CB 4.24Å; R360-V364 HydrophobicContact CB-CG1 4.08Å; R360-V364 HydrophobicContact CG-CG1 4.13Å; R360-R365 HydrophobicContact CB-CG 4.02Å; R360-R365 PolarHBondContact O-NE 3Å; R360-R365 PolarHBondContact O-NH2 3.28Å; R360-R365 VanDerWaalsContact O-NH2 3.11Å; R360-D368 IonicContact CZ-OD2 3.35Å; R360-D368 IonicContact NH1-OD1 2.76Å; R360-D368 IonicContact NH1-OD2 3.23Å; R360-D368 PolarHBondContact NH1-OD2 3.47Å |
| 361 | S | 79.9 | Confident | 70 | Confident | 49 Ų | 49 | 102.7 Ų | 102.7 | 34% | 0.343 | 57% | 0.572 | S | S | . | * | | | trans | -52.6 | 150.6 | 173.5 | 78.9 | 0 | 0 | 0 | 0 | 110.9 | I359 R363 V364 R365 | I359-S361 PolarHBondContact O-N 2.81Å; S361-R363 PolarHBondContact O-N 2.75Å; S361-V364 PolarHBondContact O-N 2.83Å; S361-V364 WeakPolarHBondContact OG-CG2 3.47Å; S361-V364 PolarHBondContact OG-N 3.24Å; S361-R365 PolarHBondContact O-N 3.23Å; S361-R365 VanDerWaalsContact O-N 3.07Å |
| 362 | P | 78.3 | Confident | 71.9 | Confident | 101 Ų | 101 | 104.2 Ų | 104.2 | 66% | 0.656 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -52 | -31.1 | 177.5 | -28.4 | 35.3 | 0 | 0 | 0 | 113.4 | A366 | P362-A366 WeakPolarHBondContact O-CB 3.35Å; P362-A366 PolarHBondContact O-N 2.83Å |
| 363 | R | 78.1 | Confident | 73.8 | Confident | 200 Ų | 200 | 102.8 Ų | 102.8 | 76% | 0.755 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -68.6 | -42.9 | 176.1 | -170.6 | 176.2 | -178.4 | 174.4 | 0.5 | 112.5 | S361 A366 L367 | S361-R363 PolarHBondContact O-N 2.75Å; R363-A366 WeakPolarHBondContact O-CB 3.39Å; R363-A366 PolarHBondContact O-N 3.01Å; R363-L367 PolarHBondContact O-N 2.82Å |
| 364 | V | 79.7 | Confident | 75.6 | Confident | 53 Ų | 53 | 103.3 Ų | 103.3 | 32% | 0.321 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -64.2 | -43.2 | 175.7 | 174.8 | 0 | 0 | 0 | 0 | 110.1 | R360 S361 A366 L367 D368 | R360-V364 HydrophobicContact CB-CB 4.24Å; R360-V364 HydrophobicContact CB-CG1 4.08Å; R360-V364 HydrophobicContact CG-CG1 4.13Å; S361-V364 PolarHBondContact O-N 2.83Å; S361-V364 WeakPolarHBondContact OG-CG2 3.47Å; S361-V364 PolarHBondContact OG-N 3.24Å; V364-A366 VanDerWaalsContact C-N 3.3Å; V364-A366 PolarHBondContact O-N 2.92Å; V364-L367 PolarHBondContact O-N 2.74Å; V364-L367 VanDerWaalsContact O-N 3.16Å; V364-D368 PolarHBondContact O-N 2.91Å |
| 365 | R | 82.3 | Confident | 77.3 | Confident | 106 Ų | 106 | 99.3 Ų | 99.3 | 40% | 0.4 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.7 | -36.2 | 174.2 | -73.3 | -173.8 | -102.3 | 178.8 | -9 | 112.9 | G358 R360 S361 R369 | G358-R365 PolarHBondContact O-NH2 3.36Å; R360-R365 HydrophobicContact CB-CG 4.02Å; R360-R365 PolarHBondContact O-NE 3Å; R360-R365 PolarHBondContact O-NH2 3.28Å; R360-R365 VanDerWaalsContact O-NH2 3.11Å; S361-R365 PolarHBondContact O-N 3.23Å; S361-R365 VanDerWaalsContact O-N 3.07Å; R365-R369 WeakPolarHBondContact O-CB 3.35Å; R365-R369 VanDerWaalsContact O-CG 3.29Å; R365-R369 WeakPolarHBondContact O-CG 3.5Å; R365-R369 PolarHBondContact O-N 3.48Å; R365-R369 VanDerWaalsContact O-N 3.14Å; R365-R369 PolarHBondContact O-NE 3.29Å |
| 366 | A | 87.3 | Confident | 79.2 | Confident | 48 Ų | 48 | 99.9 Ų | 99.9 | 40% | 0.397 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.9 | -41.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | P362 R363 V364 R369 Q370 | P362-A366 WeakPolarHBondContact O-CB 3.35Å; P362-A366 PolarHBondContact O-N 2.83Å; R363-A366 WeakPolarHBondContact O-CB 3.39Å; R363-A366 PolarHBondContact O-N 3.01Å; V364-A366 VanDerWaalsContact C-N 3.3Å; V364-A366 PolarHBondContact O-N 2.92Å; A366-R369 PolarHBondContact O-N 3.13Å; A366-Q370 PolarHBondContact O-N 2.94Å |
| 367 | L | 89.7 | Confident | 81.6 | Confident | 95 Ų | 95 | 103 Ų | 103 | 50% | 0.497 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.2 | -46.3 | 176.7 | -172.6 | 69 | 0 | 0 | 0 | 111.7 | R363 V364 R369 Q370 I371 | R363-L367 PolarHBondContact O-N 2.82Å; V364-L367 PolarHBondContact O-N 2.74Å; V364-L367 VanDerWaalsContact O-N 3.16Å; L367-R369 VanDerWaalsContact C-N 3.29Å; L367-R369 PolarHBondContact O-N 3.4Å; L367-Q370 WeakPolarHBondContact O-CA 3.47Å; L367-Q370 WeakPolarHBondContact O-CB 3.36Å; L367-Q370 PolarHBondContact O-N 2.82Å; L367-I371 HydrophobicContact CG-CD1 4.06Å; L367-I371 WeakPolarHBondContact O-CG1 3.24Å; L367-I371 PolarHBondContact O-N 3.36Å |
| 368 | D | 85.7 | Confident | 83.4 | Confident | 53 Ų | 53 | 104 Ų | 104 | 28% | 0.283 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -57.8 | -43 | 176.3 | -75.7 | -23.7 | 0 | 0 | 0 | 111.2 | R360 V364 Q370 I371 M372 | R360-D368 IonicContact CZ-OD2 3.35Å; R360-D368 IonicContact NH1-OD1 2.76Å; R360-D368 IonicContact NH1-OD2 3.23Å; R360-D368 PolarHBondContact NH1-OD2 3.47Å; V364-D368 PolarHBondContact O-N 2.91Å; D368-Q370 VanDerWaalsContact C-N 3.31Å; D368-Q370 PolarHBondContact O-N 2.91Å; D368-I371 PolarHBondContact O-N 3.11Å; D368-M372 WeakPolarHBondContact O-CB 3.32Å; D368-M372 VanDerWaalsContact O-CG 3.32Å; D368-M372 WeakPolarHBondContact O-CG 3.17Å; D368-M372 PolarHBondContact O-N 3.26Å |
| 369 | R | 91.2 | Very high | 84.7 | Confident | 156 Ų | 156 | 108 Ų | 108 | 59% | 0.589 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.5 | -36.5 | 174.3 | -75.7 | -175.7 | -67.2 | -124.1 | 3 | 112.7 | R365 A366 L367 K373 | R365-R369 WeakPolarHBondContact O-CB 3.35Å; R365-R369 VanDerWaalsContact O-CG 3.29Å; R365-R369 WeakPolarHBondContact O-CG 3.5Å; R365-R369 PolarHBondContact O-N 3.48Å; R365-R369 VanDerWaalsContact O-N 3.14Å; R365-R369 PolarHBondContact O-NE 3.29Å; A366-R369 PolarHBondContact O-N 3.13Å; L367-R369 VanDerWaalsContact C-N 3.29Å; L367-R369 PolarHBondContact O-N 3.4Å; R369-K373 WeakPolarHBondContact O-CG 3.33Å; R369-K373 PolarHBondContact O-N 3.32Å; R369-K373 VanDerWaalsContact O-N 3.1Å |
| 370 | Q | 94.5 | Very high | 86 | Confident | 128 Ų | 128 | 108.6 Ų | 108.6 | 60% | 0.598 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -69.2 | -43.3 | 176.8 | -173.2 | 177.2 | -6 | 0 | 0 | 111.4 | A366 L367 D368 K373 E374 | A366-Q370 PolarHBondContact O-N 2.94Å; L367-Q370 WeakPolarHBondContact O-CA 3.47Å; L367-Q370 WeakPolarHBondContact O-CB 3.36Å; L367-Q370 PolarHBondContact O-N 2.82Å; D368-Q370 VanDerWaalsContact C-N 3.31Å; D368-Q370 PolarHBondContact O-N 2.91Å; Q370-K373 PolarHBondContact O-N 2.96Å; Q370-E374 PolarHBondContact O-N 3Å |
| 371 | I | 92 | Very high | 87 | Confident | 85 Ų | 85 | 107 Ų | 107 | 44% | 0.436 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.6 | -45.7 | 176.6 | -67.1 | 168.5 | 0 | 0 | 0 | 110.4 | L367 D368 K373 E374 M375 | L367-I371 HydrophobicContact CG-CD1 4.06Å; L367-I371 WeakPolarHBondContact O-CG1 3.24Å; L367-I371 PolarHBondContact O-N 3.36Å; D368-I371 PolarHBondContact O-N 3.11Å; I371-K373 PolarHBondContact O-N 3.04Å; I371-E374 PolarHBondContact O-N 2.88Å; I371-M375 PolarHBondContact O-N 2.85Å |
| 372 | M | 91 | Very high | 86.9 | Confident | 131 Ų | 131 | 109.6 Ų | 109.6 | 65% | 0.645 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.1 | -41.5 | 177.5 | -73.1 | -69.3 | -76.4 | 0 | 0 | 112.5 | D368 E374 Q376 | D368-M372 WeakPolarHBondContact O-CB 3.32Å; D368-M372 VanDerWaalsContact O-CG 3.32Å; D368-M372 WeakPolarHBondContact O-CG 3.17Å; D368-M372 PolarHBondContact O-N 3.26Å; M372-E374 VanDerWaalsContact C-N 3.34Å; M372-E374 PolarHBondContact O-N 3.07Å; M372-Q376 WeakPolarHBondContact O-CB 3.42Å; M372-Q376 PolarHBondContact O-N 3.14Å |
| 373 | K | 94.9 | Very high | 86.7 | Confident | 139 Ų | 139 | 107.9 Ų | 107.9 | 60% | 0.604 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.2 | -39.6 | 174.5 | -79 | -178 | 178.6 | -175.2 | 0 | 112.3 | R369 Q370 I371 Q376 R377 | R369-K373 WeakPolarHBondContact O-CG 3.33Å; R369-K373 PolarHBondContact O-N 3.32Å; R369-K373 VanDerWaalsContact O-N 3.1Å; Q370-K373 PolarHBondContact O-N 2.96Å; I371-K373 PolarHBondContact O-N 3.04Å; K373-Q376 PolarHBondContact O-N 3.16Å; K373-R377 PolarHBondContact O-N 3.2Å |
| 374 | E | 91.3 | Very high | 86.1 | Confident | 81 Ų | 81 | 104.9 Ų | 104.9 | 38% | 0.379 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -72.1 | -41.1 | 179.9 | -163.4 | 57.3 | -152.8 | 0 | 0 | 112 | Q370 I371 M372 Q376 R377 Q378 | Q370-E374 PolarHBondContact O-N 3Å; I371-E374 PolarHBondContact O-N 2.88Å; M372-E374 VanDerWaalsContact C-N 3.34Å; M372-E374 PolarHBondContact O-N 3.07Å; E374-Q376 VanDerWaalsContact C-N 3.3Å; E374-Q376 PolarHBondContact O-N 2.96Å; E374-R377 PolarHBondContact O-N 3.02Å; E374-R377 IonicContact OE2-CZ 2.69Å; E374-R377 IonicContact OE2-NE 2.69Å; E374-R377 PolarHBondContact OE2-NE 2.76Å; E374-R377 IonicContact OE2-NH2 3.8Å; E374-R377 PolarHBondContact OE2-NH2 2.97Å; E374-Q378 WeakPolarHBondContact O-CG 3.44Å; E374-Q378 PolarHBondContact O-N 3.2Å |
| 375 | M | 87.9 | Confident | 84.7 | Confident | 97 Ų | 97 | 113.7 Ų | 113.7 | 48% | 0.478 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -58.5 | -42.5 | 170.7 | -80.7 | -170 | 63.7 | 0 | 0 | 111.8 | I371 Q378 W379 | I371-M375 PolarHBondContact O-N 2.85Å; M375-Q378 PolarHBondContact O-N 3.27Å; M375-W379 WeakPolarHBondContact O-CB 3.42Å; M375-W379 PolarHBondContact O-N 3.14Å |
| 376 | Q | 90.2 | Very high | 82.9 | Confident | 118 Ų | 118 | 116.8 Ų | 116.8 | 55% | 0.551 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -64.7 | -39.6 | 176.8 | -170.9 | 173.1 | 15.9 | 0 | 0 | 112 | M372 K373 E374 W379 Q380 | M372-Q376 WeakPolarHBondContact O-CB 3.42Å; M372-Q376 PolarHBondContact O-N 3.14Å; K373-Q376 PolarHBondContact O-N 3.16Å; E374-Q376 VanDerWaalsContact C-N 3.3Å; E374-Q376 PolarHBondContact O-N 2.96Å; Q376-W379 PolarHBondContact O-N 3.09Å; Q376-Q380 WeakPolarHBondContact O-CG 3.5Å; Q376-Q380 PolarHBondContact O-N 3.21Å |
| 377 | R | 91 | Very high | 80.8 | Confident | 150 Ų | 150 | 119.7 Ų | 119.7 | 57% | 0.566 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -63 | -45.1 | 172.9 | -83.9 | -164.3 | -79.1 | -138.9 | -0.6 | 112.2 | K373 E374 W379 Q380 S381 | K373-R377 PolarHBondContact O-N 3.2Å; E374-R377 PolarHBondContact O-N 3.02Å; E374-R377 IonicContact OE2-CZ 2.69Å; E374-R377 IonicContact OE2-NE 2.69Å; E374-R377 PolarHBondContact OE2-NE 2.76Å; E374-R377 IonicContact OE2-NH2 3.8Å; E374-R377 PolarHBondContact OE2-NH2 2.97Å; R377-W379 VanDerWaalsContact C-N 3.34Å; R377-W379 PolarHBondContact O-N 2.98Å; R377-Q380 PolarHBondContact O-N 3.2Å; R377-S381 WeakPolarHBondContact O-CB 3.46Å; R377-S381 PolarHBondContact O-N 3.31Å; R377-S381 PolarHBondContact O-OG 3.21Å |
| 378 | Q | 86.9 | Confident | 78.9 | Confident | 102 Ų | 102 | 122.3 Ų | 122.3 | 48% | 0.477 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -60 | -45.9 | 175.4 | -74.7 | -174.1 | -8.1 | 0 | 0 | 111 | E374 M375 Q380 S381 E382 | E374-Q378 WeakPolarHBondContact O-CG 3.44Å; E374-Q378 PolarHBondContact O-N 3.2Å; M375-Q378 PolarHBondContact O-N 3.27Å; Q378-Q380 PolarHBondContact O-N 2.9Å; Q378-S381 WeakPolarHBondContact CA-OG 3.44Å; Q378-S381 PolarHBondContact O-N 3.1Å; Q378-S381 VanDerWaalsContact O-N 3.13Å; Q378-S381 PolarHBondContact O-OG 3.31Å; Q378-E382 WeakPolarHBondContact O-CB 3.49Å; Q378-E382 WeakPolarHBondContact O-CG 3.27Å; Q378-E382 PolarHBondContact O-N 3.22Å |
| 379 | W | 80.4 | Confident | 77 | Confident | 117 Ų | 117 | 126 Ų | 126 | 44% | 0.443 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -58.6 | -44.2 | 176.1 | -100.6 | 58.5 | 0 | 0 | 0 | 113.4 | M375 Q376 R377 S381 E382 Y386 | M375-W379 WeakPolarHBondContact O-CB 3.42Å; M375-W379 PolarHBondContact O-N 3.14Å; Q376-W379 PolarHBondContact O-N 3.09Å; R377-W379 VanDerWaalsContact C-N 3.34Å; R377-W379 PolarHBondContact O-N 2.98Å; W379-S381 VanDerWaalsContact C-N 3.35Å; W379-E382 PolarHBondContact O-N 2.89Å; W379-Y386 HydrophobicContact CE3-CD2 4.28Å; W379-Y386 AromaticContact CE3-CE2 3.83Å; W379-Y386 HydrophobicContact CE3-CE2 3.83Å; W379-Y386 HydrophobicContact CH2-CE1 4.19Å; W379-Y386 HydrophobicContact CH2-CE2 4.25Å; W379-Y386 HydrophobicContact CZ3-CD1 4.27Å; W379-Y386 AromaticContact CZ3-CD2 3.63Å; W379-Y386 HydrophobicContact CZ3-CD2 3.63Å; W379-Y386 HydrophobicContact CZ3-CE1 4.01Å; W379-Y386 AromaticContact CZ3-CE2 3.32Å; W379-Y386 HydrophobicContact CZ3-CE2 3.32Å; W379-Y386 HydrophobicContact CZ3-CG 4.09Å; W379-Y386 AromaticContact CZ3-CZ 3.53Å |
| 380 | Q | 87.7 | Confident | 74.6 | Confident | 141 Ų | 141 | 122.7 Ų | 122.7 | 66% | 0.659 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -66.2 | -38.3 | 175.6 | -72.9 | 176.7 | -3 | 0 | 0 | 111.7 | Q376 R377 Q378 G383 | Q376-Q380 WeakPolarHBondContact O-CG 3.5Å; Q376-Q380 PolarHBondContact O-N 3.21Å; R377-Q380 PolarHBondContact O-N 3.2Å; Q378-Q380 PolarHBondContact O-N 2.9Å; Q380-G383 PolarHBondContact O-N 2.68Å |
| 381 | S | 86.7 | Confident | 72.3 | Confident | 97 Ų | 97 | 121.9 Ų | 121.9 | 68% | 0.678 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -70.2 | -30 | 178.3 | 76.4 | 0 | 0 | 0 | 0 | 113.4 | R377 Q378 W379 G383 | R377-S381 WeakPolarHBondContact O-CB 3.46Å; R377-S381 PolarHBondContact O-N 3.31Å; R377-S381 PolarHBondContact O-OG 3.21Å; Q378-S381 WeakPolarHBondContact CA-OG 3.44Å; Q378-S381 PolarHBondContact O-N 3.1Å; Q378-S381 VanDerWaalsContact O-N 3.13Å; Q378-S381 PolarHBondContact O-OG 3.31Å; W379-S381 VanDerWaalsContact C-N 3.35Å; S381-G383 VanDerWaalsContact C-N 3.26Å; S381-G383 PolarHBondContact O-N 3.35Å |
| 382 | E | 78.9 | Confident | 70 | Confident | 103 Ų | 103 | 127 Ų | 127 | 48% | 0.481 | 64% | 0.641 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.9 | -2.5 | -179.7 | -75.9 | -170.7 | -168.4 | 0 | 0 | 113.3 | Q378 W379 K384 | Q378-E382 WeakPolarHBondContact O-CB 3.49Å; Q378-E382 WeakPolarHBondContact O-CG 3.27Å; Q378-E382 PolarHBondContact O-N 3.22Å; W379-E382 PolarHBondContact O-N 2.89Å; E382-K384 HydrophobicContact CB-CD 4.43Å; E382-K384 PolarHBondContact O-N 3.5Å; E382-K384 IonicContact OE2-NZ 2.74Å; E382-K384 PolarHBondContact OE2-NZ 2.82Å |
| 383 | G | 73.5 | Confident | 67.4 | Low | 65 Ų | 65 | 124.8 Ų | 124.8 | 67% | 0.67 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 61.7 | 11.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q380 S381 R385 | Q380-G383 PolarHBondContact O-N 2.68Å; S381-G383 VanDerWaalsContact C-N 3.26Å; S381-G383 PolarHBondContact O-N 3.35Å; G383-R385 PolarHBondContact O-N 2.87Å; G383-R385 VanDerWaalsContact O-N 3.16Å |
| 384 | K | 65 | Low | 64.7 | Low | 138 Ų | 138 | 121.6 Ų | 121.6 | 60% | 0.6 | 66% | 0.658 | S | S | * | * | | | trans | -81.3 | 98.7 | -178.2 | -72 | 171.7 | -172.8 | 159.4 | 0 | 109.3 | E382 Y386 | E382-K384 HydrophobicContact CB-CD 4.43Å; E382-K384 PolarHBondContact O-N 3.5Å; E382-K384 IonicContact OE2-NZ 2.74Å; E382-K384 PolarHBondContact OE2-NZ 2.82Å; K384-Y386 PolarHBondContact O-N 3.43Å |
| 385 | R | 50.1 | Low | 62.4 | Low | 238 Ų | 238 | 127.2 Ų | 127.2 | 90% | 0.898 | 68% | 0.684 | S | S | * | * | | | trans | -53.8 | 132.4 | 167.3 | -75 | -175.8 | 177.3 | 178.5 | -0.9 | 109.3 | G383 | G383-R385 PolarHBondContact O-N 2.87Å; G383-R385 VanDerWaalsContact O-N 3.16Å |
| 386 | Y | 45.1 | Very low | 60.1 | Low | 171 Ų | 171 | 131.8 Ų | 131.8 | 67% | 0.671 | 71% | 0.705 | S | S | * | * | | | trans | -48.3 | 132.1 | 167 | -97.7 | -90.5 | 0 | 0 | 0 | 109.9 | W379 K384 I388 | W379-Y386 HydrophobicContact CE3-CD2 4.28Å; W379-Y386 AromaticContact CE3-CE2 3.83Å; W379-Y386 HydrophobicContact CE3-CE2 3.83Å; W379-Y386 HydrophobicContact CH2-CE1 4.19Å; W379-Y386 HydrophobicContact CH2-CE2 4.25Å; W379-Y386 HydrophobicContact CZ3-CD1 4.27Å; W379-Y386 AromaticContact CZ3-CD2 3.63Å; W379-Y386 HydrophobicContact CZ3-CD2 3.63Å; W379-Y386 HydrophobicContact CZ3-CE1 4.01Å; W379-Y386 AromaticContact CZ3-CE2 3.32Å; W379-Y386 HydrophobicContact CZ3-CE2 3.32Å; W379-Y386 HydrophobicContact CZ3-CG 4.09Å; W379-Y386 AromaticContact CZ3-CZ 3.53Å; K384-Y386 PolarHBondContact O-N 3.43Å; Y386-I388 VanDerWaalsContact C-N 3.3Å; Y386-I388 PolarHBondContact O-N 3.33Å |
| 387 | P | 44.1 | Very low | 57.8 | Low | 109 Ų | 109 | 135.6 Ų | 135.6 | 71% | 0.708 | 72% | 0.722 | S | S | * | * | | | trans | -68.7 | 99.9 | 157.5 | 28.1 | -26.9 | 0 | 0 | 0 | 106.2 | V389 | P387-V389 PolarHBondContact O-N 3.02Å; P387-V389 VanDerWaalsContact O-N 3.09Å |
| 388 | I | 48.5 | Very low | 55.5 | Low | 150 Ų | 150 | 133.1 Ų | 133.1 | 77% | 0.769 | 73% | 0.728 | S | S | * | * | | | trans | -56.1 | 117.3 | 162.7 | -67.9 | 171.4 | 0 | 0 | 0 | 105.5 | Y386 A390 | Y386-I388 VanDerWaalsContact C-N 3.3Å; Y386-I388 PolarHBondContact O-N 3.33Å; I388-A390 VanDerWaalsContact C-N 3.28Å; I388-A390 PolarHBondContact O-N 2.99Å |
| 389 | V | 46.3 | Very low | 53.4 | Low | 129 Ų | 129 | 137 Ų | 137 | 78% | 0.782 | 75% | 0.746 | S | S | * | * | | | trans | -60.4 | 98.1 | 167.1 | 177.3 | 0 | 0 | 0 | 0 | 106.1 | P387 S391 | P387-V389 PolarHBondContact O-N 3.02Å; P387-V389 VanDerWaalsContact O-N 3.09Å; V389-S391 VanDerWaalsContact C-N 3.29Å; V389-S391 PolarHBondContact O-N 2.89Å |
| 390 | A | 40.2 | Very low | 51.8 | Low | 87 Ų | 87 | 136.1 Ų | 136.1 | 72% | 0.719 | 76% | 0.758 | S | S | * | * | | | trans | -70.6 | 90.9 | 169.1 | 0 | 0 | 0 | 0 | 0 | 107.5 | I388 Q392 | I388-A390 VanDerWaalsContact C-N 3.28Å; I388-A390 PolarHBondContact O-N 2.99Å; A390-Q392 PolarHBondContact O-N 2.69Å |
| 391 | S | 46.3 | Very low | 49.8 | Very low | 112 Ų | 112 | 134.9 Ų | 134.9 | 78% | 0.783 | 77% | 0.765 | S | S | * | * | | | trans | -61.6 | 115.3 | 158.1 | -91.9 | 0 | 0 | 0 | 0 | 107.7 | V389 | V389-S391 VanDerWaalsContact C-N 3.29Å; V389-S391 PolarHBondContact O-N 2.89Å |
| 392 | Q | 43.3 | Very low | 48 | Very low | 193 Ų | 193 | 137 Ų | 137 | 90% | 0.902 | 76% | 0.764 | S | S | * | * | | | trans | -64.2 | 131.7 | 168.9 | -76.6 | -179.7 | -9.4 | 0 | 0 | 110.2 | A390 | A390-Q392 PolarHBondContact O-N 2.69Š|
| 393 | G | 38.3 | Very low | 46 | Very low | 83 Ų | 83 | 137.9 Ų | 137.9 | 86% | 0.856 | 78% | 0.78 | S | S | * | * | | | trans | 95.3 | 107 | 143.5 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 394 | G | 37.7 | Very low | 44.8 | Very low | 73 Ų | 73 | 139.9 Ų | 139.9 | 75% | 0.753 | 78% | 0.779 | S | S | * | * | | | trans | 153.4 | 76.1 | 161.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 395 | E | 42.8 | Very low | 43.9 | Very low | 199 Ų | 199 | 138.2 Ų | 138.2 | 93% | 0.93 | 78% | 0.777 | S | S | * | * | | | trans | 44.6 | 127.8 | 148.7 | -65.6 | -179.6 | 148.7 | 0 | 0 | 122 | | |
| 396 | E | 40.5 | Very low | 43.8 | Very low | 193 Ų | 193 | 132.9 Ų | 132.9 | 90% | 0.902 | 77% | 0.766 | S | S | * | * | | | trans | -35 | 125.1 | 165.9 | -60 | 174.1 | 152 | 0 | 0 | 115.1 | | |
| 397 | Q | 40.9 | Very low | 43.6 | Very low | 198 Ų | 198 | 133.3 Ų | 133.3 | 93% | 0.925 | 77% | 0.767 | S | S | * | * | | | | -160.5 | 142.3 | 128.6 | -111.6 | 173.6 | 19.6 | 0 | 0 | 112.1 | | |
| 398 | S | 42.3 | Very low | 43.9 | Very low | 97 Ų | 97 | 132.9 Ų | 132.9 | 68% | 0.678 | 76% | 0.759 | S | S | * | * | | | trans | -65.9 | 163.8 | -170.2 | -48.2 | 0 | 0 | 0 | 0 | 114.4 | | |
| 399 | E | 43.2 | Very low | 43.7 | Very low | 183 Ų | 183 | 127.8 Ų | 127.8 | 86% | 0.855 | 74% | 0.74 | S | S | * | * | | | trans | 74.7 | 95.8 | 152.6 | -62.7 | 158 | -146.1 | 0 | 0 | 117.2 | | |
| 400 | S | 45.9 | Very low | 43.7 | Very low | 100 Ų | 100 | 128 Ų | 128 | 70% | 0.699 | 74% | 0.736 | S | S | * | * | | | | 178.1 | 135.6 | 112 | 62.5 | 0 | 0 | 0 | 0 | 112.5 | E402 | S400-E402 PolarHBondContact O-N 3.12Š|
| 401 | S | 45.6 | Very low | 44.1 | Very low | 114 Ų | 114 | 127.5 Ų | 127.5 | 80% | 0.797 | 72% | 0.724 | S | S | * | * | | | trans | -80 | 77.2 | 177 | 56.5 | 0 | 0 | 0 | 0 | 110.8 | | |
| 402 | E | 49.1 | Very low | 44 | Very low | 141 Ų | 141 | 125.4 Ų | 125.4 | 66% | 0.659 | 71% | 0.709 | S | S | * | * | | | trans | -139.8 | 11.9 | -171.5 | -133.5 | 173.7 | -177.3 | 0 | 0 | 115.5 | S400 | S400-E402 PolarHBondContact O-N 3.12Š|
| 403 | C | 37.6 | Very low | 44.1 | Very low | 122 Ų | 122 | 122.9 Ų | 122.9 | 82% | 0.824 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -102.4 | -8.8 | -176 | -156.6 | 0 | 0 | 0 | 0 | 114.9 | | |
| 404 | T | 47.7 | Very low | 44.4 | Very low | 107 Ų | 107 | 127.7 Ų | 127.7 | 66% | 0.656 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -100.8 | -11.3 | 179.3 | 22.5 | 0 | 0 | 0 | 0 | 114.8 | N408 | T404-N408 PolarHBondContact O-ND2 3.23Š|
| 405 | D | 47.1 | Very low | 44.6 | Very low | 104 Ų | 104 | 132.5 Ų | 132.5 | 56% | 0.556 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -92.3 | -24.5 | -175.4 | -64.9 | -28.8 | 0 | 0 | 0 | 113.4 | Y407 N408 A409 | D405-Y407 PolarHBondContact O-N 2.88Å; D405-N408 PolarHBondContact O-N 3.41Å; D405-A409 WeakPolarHBondContact O-CB 3.32Å; D405-A409 PolarHBondContact O-N 2.94Å |
| 406 | L | 47.3 | Very low | 44.4 | Very low | 125 Ų | 125 | 130.6 Ų | 130.6 | 65% | 0.654 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -71.4 | -28.4 | 177.1 | -73.4 | 169.6 | 0 | 0 | 0 | 113.4 | L410 | L406-L410 WeakPolarHBondContact O-CD1 3.49Å; L406-L410 WeakPolarHBondContact O-CG 3.21Å; L406-L410 PolarHBondContact O-N 3.26Å |
| 407 | Y | 41.6 | Very low | 44.4 | Very low | 180 Ų | 180 | 127.5 Ų | 127.5 | 71% | 0.706 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -75.5 | -33.5 | 177.1 | -166.2 | -95.4 | 0 | 0 | 0 | 112 | D405 T411 | D405-Y407 PolarHBondContact O-N 2.88Å; Y407-T411 PolarHBondContact O-OG1 3.3Å |
| 408 | N | 49.2 | Very low | 44.3 | Very low | 101 Ų | 101 | 123.2 Ų | 123.2 | 54% | 0.54 | 69% | 0.694 | S | S | . | * | H | α-helix | trans | -80.3 | -32.7 | 177.6 | -68.5 | -31.2 | 0 | 0 | 0 | 112.4 | T404 D405 T411 S412 | T404-N408 PolarHBondContact O-ND2 3.23Å; D405-N408 PolarHBondContact O-N 3.41Å; N408-T411 PolarHBondContact O-N 2.98Å; N408-T411 PolarHBondContact O-OG1 3.44Å; N408-S412 PolarHBondContact O-N 3.48Å; N408-S412 VanDerWaalsContact O-N 3.12Å; N408-S412 PolarHBondContact O-OG 3.32Å |
| 409 | A | 46.1 | Very low | 44.1 | Very low | 43 Ų | 43 | 123.9 Ų | 123.9 | 36% | 0.355 | 70% | 0.699 | S | S | . | * | H | α-helix | trans | -67.8 | -36.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | D405 T411 S412 | D405-A409 WeakPolarHBondContact O-CB 3.32Å; D405-A409 PolarHBondContact O-N 2.94Å; A409-T411 VanDerWaalsContact C-N 3.27Å; A409-T411 PolarHBondContact O-N 3.11Å; A409-S412 PolarHBondContact O-OG 3.09Å |
| 410 | L | 44.8 | Very low | 43.9 | Very low | 134 Ų | 134 | 122.4 Ų | 122.4 | 70% | 0.702 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -72.7 | -18.2 | 176.7 | -78.1 | 166.1 | 0 | 0 | 0 | 113.7 | L406 | L406-L410 WeakPolarHBondContact O-CD1 3.49Å; L406-L410 WeakPolarHBondContact O-CG 3.21Å; L406-L410 PolarHBondContact O-N 3.26Å |
| 411 | T | 48.2 | Very low | 43.9 | Very low | 76 Ų | 76 | 127.5 Ų | 127.5 | 47% | 0.466 | 71% | 0.706 | S | S | . | * | H | α-helix | trans | -100.1 | -17 | 178.2 | 28.2 | 0 | 0 | 0 | 0 | 113.9 | Y407 N408 A409 F415 | Y407-T411 PolarHBondContact O-OG1 3.3Å; N408-T411 PolarHBondContact O-N 2.98Å; N408-T411 PolarHBondContact O-OG1 3.44Å; A409-T411 VanDerWaalsContact C-N 3.27Å; A409-T411 PolarHBondContact O-N 3.11Å; T411-F415 WeakPolarHBondContact O-CD2 3.29Å |
| 412 | S | 45.8 | Very low | 43.6 | Very low | 68 Ų | 68 | 125.6 Ų | 125.6 | 48% | 0.476 | 70% | 0.704 | S | S | . | * | H | α-helix | trans | -84.4 | -30.4 | 176.2 | 57.6 | 0 | 0 | 0 | 0 | 114 | N408 A409 F414 | N408-S412 PolarHBondContact O-N 3.48Å; N408-S412 VanDerWaalsContact O-N 3.12Å; N408-S412 PolarHBondContact O-OG 3.32Å; A409-S412 PolarHBondContact O-OG 3.09Å; S412-F414 PolarHBondContact O-N 2.8Å |
| 413 | D | 44.5 | Very low | 43 | Very low | 139 Ų | 139 | 126.2 Ų | 126.2 | 74% | 0.743 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | -1.3 | -173.1 | -69.3 | -2.4 | 0 | 0 | 0 | 114.2 | | |
| 414 | F | 43.7 | Very low | 43.3 | Very low | 185 Ų | 185 | 129 Ų | 129 | 81% | 0.811 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.8 | -1.2 | 176.8 | -98.8 | -82.8 | 0 | 0 | 0 | 114.6 | S412 | S412-F414 PolarHBondContact O-N 2.8Š|
| 415 | F | 43 | Very low | 43.1 | Very low | 173 Ų | 173 | 134.6 Ų | 134.6 | 76% | 0.759 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -107.8 | 3 | -168.2 | -84.8 | -79.7 | 0 | 0 | 0 | 117.3 | T411 | T411-F415 WeakPolarHBondContact O-CD2 3.29Š|
| 416 | D | 39.2 | Very low | 42.6 | Very low | 160 Ų | 160 | 142 Ų | 142 | 86% | 0.856 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -126.6 | 32.2 | -173.5 | -99.3 | -21.9 | 0 | 0 | 0 | 116 | | |
| 417 | S | 39.1 | Very low | 42.3 | Very low | 127 Ų | 127 | 139.7 Ų | 139.7 | 89% | 0.888 | 75% | 0.754 | S | S | * | * | | | trans | -144.3 | 71.2 | 176.3 | -75.3 | 0 | 0 | 0 | 0 | 113.9 | | |
| 418 | A | 40.2 | Very low | 42.4 | Very low | 108 Ų | 108 | 139.7 Ų | 139.7 | 89% | 0.893 | 76% | 0.761 | S | S | * | * | | | trans | -154.6 | 53.7 | 163.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 419 | S | 37.1 | Very low | 42.2 | Very low | 111 Ų | 111 | 140.6 Ų | 140.6 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | | | trans | -99.4 | 141.2 | 154 | 72.5 | 0 | 0 | 0 | 0 | 108.5 | | |
| 420 | D | 38.8 | Very low | 42.3 | Very low | 153 Ų | 153 | 146.6 Ų | 146.6 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | | | trans | 73.4 | 94.7 | 174.3 | -93.2 | -15.7 | 0 | 0 | 0 | 117.6 | | |
| 421 | K | 46.7 | Very low | 43.4 | Very low | 207 Ų | 207 | 145.1 Ų | 145.1 | 90% | 0.9 | 79% | 0.785 | S | S | * | * | | | | 173.2 | 102.9 | 115.7 | -90.6 | 166.8 | -173.6 | -178.8 | 0 | 112.8 | | |
| 422 | G | 38.8 | Very low | 44.2 | Very low | 73 Ų | 73 | 144.7 Ų | 144.7 | 75% | 0.753 | 79% | 0.785 | S | S | * | * | | | | 44.6 | 103.9 | 129.4 | 0 | 0 | 0 | 0 | 0 | 121.2 | | |
| 423 | N | 36.9 | Very low | 45 | Very low | 154 Ų | 154 | 146.1 Ų | 146.1 | 82% | 0.824 | 79% | 0.786 | S | S | * | * | | | | 25 | 106.4 | 126.7 | -69.1 | -17.2 | 0 | 0 | 0 | 118.6 | | |
| 424 | H | 44 | Very low | 45.8 | Very low | 181 Ų | 181 | 147.7 Ų | 147.7 | 84% | 0.838 | 78% | 0.782 | S | S | * | * | | | trans | -174.9 | 97.6 | 138.8 | -92.8 | -5.3 | 0 | 0 | 0 | 110 | | |
| 425 | F | 43.5 | Very low | 46.9 | Very low | 224 Ų | 224 | 143.4 Ų | 143.4 | 98% | 0.982 | 76% | 0.764 | S | S | * | * | | | trans | -164 | 86.7 | 146.6 | -94 | -67.2 | 0 | 0 | 0 | 108.6 | | |
| 426 | R | 36.8 | Very low | 47.9 | Very low | 261 Ų | 261 | 139.4 Ų | 139.4 | 99% | 0.985 | 75% | 0.748 | S | S | * | * | | | trans | -105.7 | 119.6 | 172.7 | -161 | -178.8 | -160 | -120.5 | 4.8 | 106.7 | | |
| 427 | G | 41.2 | Very low | 49 | Very low | 75 Ų | 75 | 136.6 Ų | 136.6 | 77% | 0.773 | 73% | 0.732 | S | S | * | * | | | trans | 117.5 | 18 | 154.1 | 0 | 0 | 0 | 0 | 0 | 120.5 | | |
| 428 | Q | 43.4 | Very low | 50.1 | Low | 180 Ų | 180 | 134.7 Ų | 134.7 | 84% | 0.841 | 71% | 0.709 | S | S | * | * | | | trans | -104.7 | 132.1 | 166.5 | -72 | -144.2 | -19.7 | 0 | 0 | 112 | I430 | Q428-I430 PolarHBondContact O-N 2.72Š|
| 429 | P | 44.2 | Very low | 51 | Low | 121 Ų | 121 | 133.4 Ų | 133.4 | 79% | 0.786 | 69% | 0.685 | S | S | * | * | | | trans | -64.6 | 128.8 | 174.5 | 26.6 | -30.5 | 0 | 0 | 0 | 109.1 | K431 | P429-K431 PolarHBondContact O-N 3.17Š|
| 430 | I | 47.9 | Very low | 52 | Low | 169 Ų | 169 | 133.8 Ų | 133.8 | 87% | 0.867 | 67% | 0.672 | S | S | * | * | | | trans | -73 | 109.1 | -179.4 | -61.1 | 165.5 | 0 | 0 | 0 | 107.4 | Q428 | Q428-I430 PolarHBondContact O-N 2.72Š|
| 431 | K | 67.7 | Low | 52.6 | Low | 102 Ų | 102 | 129.9 Ų | 129.9 | 44% | 0.443 | 65% | 0.654 | S | S | . | * | | | trans | -60.7 | 137.9 | 172.1 | -70.3 | -178 | 171.7 | -175.2 | 0 | 110 | P429 E435 E439 | P429-K431 PolarHBondContact O-N 3.17Å; K431-E435 WeakPolarHBondContact CA-OE2 3.43Å; K431-E439 IonicContact NZ-OE1 2.67Å; K431-E439 PolarHBondContact NZ-OE1 3.43Å; K431-E439 IonicContact NZ-OE2 3.38Å; K431-E439 PolarHBondContact NZ-OE2 3.26Å |
| 432 | S | 64.9 | Low | 52.4 | Low | 68 Ų | 68 | 128.2 Ų | 128.2 | 48% | 0.476 | 65% | 0.647 | S | S | . | * | | | trans | -65.5 | 146.2 | 174 | 170.3 | 0 | 0 | 0 | 0 | 110.2 | R434 E435 E436 | S432-R434 PolarHBondContact O-N 3.05Å; S432-R434 VanDerWaalsContact O-N 3.12Å; S432-R434 PolarHBondContact OG-N 3.18Å; S432-E435 PolarHBondContact N-OE2 3.44Å; S432-E435 CarbonylContact O-C 3.53Å; S432-E435 WeakPolarHBondContact O-CA 3.28Å; S432-E435 WeakPolarHBondContact O-CB 3.32Å; S432-E435 PolarHBondContact O-N 3.38Å; S432-E436 PolarHBondContact O-N 3.04Å |
| 433 | I | 64 | Low | 52.5 | Low | 97 Ų | 97 | 132 Ų | 132 | 50% | 0.497 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -53 | -34.9 | 172.6 | -67.6 | 168.7 | 0 | 0 | 0 | 110.6 | I437 | I433-I437 HydrophobicContact CG2-CD1 3.84Å; I433-I437 WeakPolarHBondContact O-CB 3.08Å; I433-I437 WeakPolarHBondContact O-CD1 3.32Å; I433-I437 WeakPolarHBondContact O-CG1 3.3Å; I433-I437 PolarHBondContact O-N 3.21Å |
| 434 | R | 60.9 | Low | 52.7 | Low | 172 Ų | 172 | 132.9 Ų | 132.9 | 65% | 0.649 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -65.4 | -43.3 | 174.6 | -176.9 | 178.9 | 173.9 | -157.1 | -6.6 | 111.9 | S432 I437 E438 | S432-R434 PolarHBondContact O-N 3.05Å; S432-R434 VanDerWaalsContact O-N 3.12Å; S432-R434 PolarHBondContact OG-N 3.18Å; R434-I437 PolarHBondContact O-N 3.29Å; R434-E438 HydrophobicContact CG-CG 4.46Å; R434-E438 IonicContact CZ-OE1 2.93Å; R434-E438 VanDerWaalsContact CZ-OE1 3.23Å; R434-E438 IonicContact NE-OE1 2.67Å; R434-E438 PolarHBondContact NE-OE1 3.4Å; R434-E438 IonicContact NH2-OE1 2.86Å; R434-E438 PolarHBondContact NH2-OE1 3.44Å; R434-E438 WeakPolarHBondContact O-CB 3.36Å; R434-E438 VanDerWaalsContact O-CG 3.32Å; R434-E438 WeakPolarHBondContact O-CG 3.19Å; R434-E438 PolarHBondContact O-N 3.02Å |
| 435 | E | 65.9 | Low | 52.2 | Low | 96 Ų | 96 | 132 Ų | 132 | 45% | 0.449 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -67.3 | -36.7 | 178.1 | -166.8 | -179.7 | -168.8 | 0 | 0 | 111.3 | K431 S432 E438 E439 | K431-E435 WeakPolarHBondContact CA-OE2 3.43Å; S432-E435 PolarHBondContact N-OE2 3.44Å; S432-E435 CarbonylContact O-C 3.53Å; S432-E435 WeakPolarHBondContact O-CA 3.28Å; S432-E435 WeakPolarHBondContact O-CB 3.32Å; S432-E435 PolarHBondContact O-N 3.38Å; E435-E438 PolarHBondContact O-N 2.7Å; E435-E439 WeakPolarHBondContact O-CB 3.41Å; E435-E439 PolarHBondContact O-N 2.8Å |
| 436 | E | 64.8 | Low | 51.7 | Low | 88 Ų | 88 | 131.1 Ų | 131.1 | 41% | 0.411 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -67.6 | -38.1 | 173.7 | -167.1 | -174.3 | 163.4 | 0 | 0 | 112.2 | S432 K440 | S432-E436 PolarHBondContact O-N 3.04Å; E436-K440 HydrophobicContact CG-CD 4.24Å; E436-K440 VanDerWaalsContact O-CB 3.28Å; E436-K440 WeakPolarHBondContact O-CB 3.49Å; E436-K440 VanDerWaalsContact O-CG 3.29Å; E436-K440 WeakPolarHBondContact O-CG 3.43Å; E436-K440 PolarHBondContact O-N 3.24Å; E436-K440 IonicContact OE1-NZ 2.85Å; E436-K440 PolarHBondContact OE1-NZ 3.29Å |
| 437 | I | 61.7 | Low | 51.5 | Low | 101 Ų | 101 | 123.4 Ų | 123.4 | 52% | 0.518 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -70 | -44.1 | 174.8 | -68.6 | 165.9 | 0 | 0 | 0 | 110.6 | I433 R434 K440 T441 | I433-I437 HydrophobicContact CG2-CD1 3.84Å; I433-I437 WeakPolarHBondContact O-CB 3.08Å; I433-I437 WeakPolarHBondContact O-CD1 3.32Å; I433-I437 WeakPolarHBondContact O-CG1 3.3Å; I433-I437 PolarHBondContact O-N 3.21Å; R434-I437 PolarHBondContact O-N 3.29Å; I437-K440 PolarHBondContact O-N 3.3Å; I437-T441 HydrophobicContact CG2-CG2 4.25Å; I437-T441 VanDerWaalsContact O-CB 3.32Å; I437-T441 WeakPolarHBondContact O-CB 3.32Å; I437-T441 VanDerWaalsContact O-CG2 3.27Å; I437-T441 WeakPolarHBondContact O-CG2 3.48Å; I437-T441 PolarHBondContact O-N 2.76Å; I437-T441 PolarHBondContact O-OG1 2.82Å |
| 438 | E | 62.6 | Low | 51.2 | Low | 88 Ų | 88 | 126.6 Ų | 126.6 | 41% | 0.411 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -62.9 | -46.2 | 176.2 | -75.5 | 173.3 | -176.9 | 0 | 0 | 110.2 | R434 E435 K440 T441 F442 | R434-E438 HydrophobicContact CG-CG 4.46Å; R434-E438 IonicContact CZ-OE1 2.93Å; R434-E438 VanDerWaalsContact CZ-OE1 3.23Å; R434-E438 IonicContact NE-OE1 2.67Å; R434-E438 PolarHBondContact NE-OE1 3.4Å; R434-E438 IonicContact NH2-OE1 2.86Å; R434-E438 PolarHBondContact NH2-OE1 3.44Å; R434-E438 WeakPolarHBondContact O-CB 3.36Å; R434-E438 VanDerWaalsContact O-CG 3.32Å; R434-E438 WeakPolarHBondContact O-CG 3.19Å; R434-E438 PolarHBondContact O-N 3.02Å; E435-E438 PolarHBondContact O-N 2.7Å; E438-K440 PolarHBondContact O-N 2.8Å; E438-T441 WeakPolarHBondContact CA-OG1 3.31Å; E438-T441 PolarHBondContact O-N 2.93Å; E438-T441 PolarHBondContact O-OG1 2.67Å; E438-F442 WeakPolarHBondContact O-CB 2.96Å; E438-F442 PolarHBondContact O-N 2.97Å |
| 439 | E | 58.2 | Low | 50.8 | Low | 81 Ų | 81 | 129.2 Ų | 129.2 | 38% | 0.379 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -64.1 | -40.7 | 177.5 | -157.6 | 176.6 | -152.7 | 0 | 0 | 111.7 | K431 E435 F443 | K431-E439 IonicContact NZ-OE1 2.67Å; K431-E439 PolarHBondContact NZ-OE1 3.43Å; K431-E439 IonicContact NZ-OE2 3.38Å; K431-E439 PolarHBondContact NZ-OE2 3.26Å; E435-E439 WeakPolarHBondContact O-CB 3.41Å; E435-E439 PolarHBondContact O-N 2.8Å; E439-F443 HydrophobicContact CG-CD2 4.16Å; E439-F443 HydrophobicContact CG-CE2 4.15Å; E439-F443 VanDerWaalsContact O-CD2 3.3Å; E439-F443 WeakPolarHBondContact O-CD2 3.41Å; E439-F443 PolarHBondContact O-N 3.07Å |
| 440 | K | 59.3 | Low | 50.3 | Low | 119 Ų | 119 | 132.4 Ų | 132.4 | 52% | 0.517 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -70.9 | -34.4 | 176.8 | -76.3 | 175.5 | 174.1 | 170.5 | 0 | 113.6 | E436 I437 E438 | E436-K440 HydrophobicContact CG-CD 4.24Å; E436-K440 VanDerWaalsContact O-CB 3.28Å; E436-K440 WeakPolarHBondContact O-CB 3.49Å; E436-K440 VanDerWaalsContact O-CG 3.29Å; E436-K440 WeakPolarHBondContact O-CG 3.43Å; E436-K440 PolarHBondContact O-N 3.24Å; E436-K440 IonicContact OE1-NZ 2.85Å; E436-K440 PolarHBondContact OE1-NZ 3.29Å; I437-K440 PolarHBondContact O-N 3.3Å; E438-K440 PolarHBondContact O-N 2.8Å |
| 441 | T | 51.4 | Low | 49.6 | Very low | 70 Ų | 70 | 129 Ų | 129 | 43% | 0.429 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -81.2 | -33.1 | 178.1 | 53.6 | 0 | 0 | 0 | 0 | 112.3 | I437 E438 H445 | I437-T441 HydrophobicContact CG2-CG2 4.25Å; I437-T441 VanDerWaalsContact O-CB 3.32Å; I437-T441 WeakPolarHBondContact O-CB 3.32Å; I437-T441 VanDerWaalsContact O-CG2 3.27Å; I437-T441 WeakPolarHBondContact O-CG2 3.48Å; I437-T441 PolarHBondContact O-N 2.76Å; I437-T441 PolarHBondContact O-OG1 2.82Å; E438-T441 WeakPolarHBondContact CA-OG1 3.31Å; E438-T441 PolarHBondContact O-N 2.93Å; E438-T441 PolarHBondContact O-OG1 2.67Å; T441-H445 PolarHBondContact O-CD2 3.23Å; T441-H445 VanDerWaalsContact O-CD2 3.31Å; T441-H445 PolarHBondContact O-N 3.3Å |
| 442 | F | 41.5 | Very low | 47.9 | Very low | 173 Ų | 173 | 132.3 Ų | 132.3 | 76% | 0.759 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -73.9 | -30.8 | -179.9 | -146.9 | -94.4 | 0 | 0 | 0 | 112.7 | E438 | E438-F442 WeakPolarHBondContact O-CB 2.96Å; E438-F442 PolarHBondContact O-N 2.97Å |
| 443 | F | 41.9 | Very low | 46.2 | Very low | 153 Ų | 153 | 135.9 Ų | 135.9 | 67% | 0.671 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -81.7 | -17 | 176.2 | -85.7 | -81.2 | 0 | 0 | 0 | 114.5 | E439 | E439-F443 HydrophobicContact CG-CD2 4.16Å; E439-F443 HydrophobicContact CG-CE2 4.15Å; E439-F443 VanDerWaalsContact O-CD2 3.3Å; E439-F443 WeakPolarHBondContact O-CD2 3.41Å; E439-F443 PolarHBondContact O-N 3.07Å |
| 444 | Q | 40.7 | Very low | 44.7 | Very low | 172 Ų | 172 | 135.2 Ų | 135.2 | 80% | 0.804 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -87.7 | -17.9 | 172.4 | -89.5 | -178 | -6 | 0 | 0 | 113.8 | | |
| 445 | H | 33.7 | Very low | 43.4 | Very low | 161 Ų | 161 | 134.6 Ų | 134.6 | 75% | 0.745 | 65% | 0.65 | S | S | * | * | | | trans | -93.4 | 21.4 | 178 | -82.3 | -66.4 | 0 | 0 | 0 | 114.8 | T441 P447 | T441-H445 PolarHBondContact O-CD2 3.23Å; T441-H445 VanDerWaalsContact O-CD2 3.31Å; T441-H445 PolarHBondContact O-N 3.3Å; H445-P447 VanDerWaalsContact O-CD 3.32Å; H445-P447 WeakPolarHBondContact O-CD 3.38Å |
| 446 | R | 32.7 | Very low | 42.2 | Very low | 207 Ų | 207 | 138.2 Ų | 138.2 | 78% | 0.781 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -65 | 121.5 | 160.2 | -99.7 | -168.9 | 176.6 | -172.2 | 0.4 | 107.8 | Q448 | R446-Q448 VanDerWaalsContact C-N 3.33Å; R446-Q448 PolarHBondContact O-N 3.16Å |
| 447 | P | 32.9 | Very low | 40.9 | Very low | 98 Ų | 98 | 143.2 Ų | 143.2 | 64% | 0.636 | 69% | 0.691 | S | S | * | * | | | trans | -61.9 | 104 | 170.7 | 24.6 | -28.6 | 0 | 0 | 0 | 106.4 | H445 W449 | H445-P447 VanDerWaalsContact O-CD 3.32Å; H445-P447 WeakPolarHBondContact O-CD 3.38Å; P447-W449 PolarHBondContact O-N 3.16Å |
| 448 | Q | 34.8 | Very low | 39.6 | Very low | 142 Ų | 142 | 144 Ų | 144 | 66% | 0.664 | 70% | 0.701 | S | S | * | * | | | trans | -67.2 | 89.6 | 166.7 | -160.8 | 178.8 | 36.8 | 0 | 0 | 104.7 | R446 R450 | R446-Q448 VanDerWaalsContact C-N 3.33Å; R446-Q448 PolarHBondContact O-N 3.16Å; Q448-R450 HydrophobicContact CG-CG 3.84Å; Q448-R450 PolarHBondContact O-N 3.37Å |
| 449 | W | 35.2 | Very low | 38.4 | Very low | 235 Ų | 235 | 147.7 Ų | 147.7 | 89% | 0.89 | 72% | 0.723 | S | S | * | * | | | trans | -61.2 | 75.5 | 165 | -77.2 | 88.1 | 0 | 0 | 0 | 107.2 | P447 S451 | P447-W449 PolarHBondContact O-N 3.16Å; W449-S451 PolarHBondContact O-N 2.85Å; W449-S451 VanDerWaalsContact O-N 3.09Å |
| 450 | R | 34 | Very low | 37.2 | Very low | 188 Ų | 188 | 147.3 Ų | 147.3 | 71% | 0.709 | 74% | 0.741 | S | S | * | * | | | trans | -71.5 | 104.5 | 164.6 | -70.5 | -156.7 | -174.9 | -149.8 | 3.3 | 105.5 | Q448 L452 | Q448-R450 HydrophobicContact CG-CG 3.84Å; Q448-R450 PolarHBondContact O-N 3.37Å; R450-L452 PolarHBondContact O-N 3.45Å |
| 451 | S | 32.2 | Very low | 36.2 | Very low | 97 Ų | 97 | 149.5 Ų | 149.5 | 68% | 0.678 | 76% | 0.758 | S | S | * | * | | | trans | -40.5 | 96.4 | 169.5 | -153.6 | 0 | 0 | 0 | 0 | 110.1 | W449 N453 | W449-S451 PolarHBondContact O-N 2.85Å; W449-S451 VanDerWaalsContact O-N 3.09Å; S451-N453 PolarHBondContact O-N 2.73Å; S451-N453 PolarHBondContact OG-ND2 3.14Å |
| 452 | L | 32.2 | Very low | 35.6 | Very low | 173 Ų | 173 | 154.4 Ų | 154.4 | 91% | 0.906 | 78% | 0.778 | S | S | * | * | | | trans | -76.3 | 66.3 | 162.4 | -95.8 | 155.4 | 0 | 0 | 0 | 106.9 | R450 | R450-L452 PolarHBondContact O-N 3.45Š|
| 453 | N | 30.6 | Very low | 35.3 | Very low | 143 Ų | 143 | 151.7 Ų | 151.7 | 77% | 0.765 | 78% | 0.778 | S | S | * | * | | | trans | -127.1 | 72.7 | 170.5 | -82.6 | -42.9 | 0 | 0 | 0 | 107.3 | S451 | S451-N453 PolarHBondContact O-N 2.73Å; S451-N453 PolarHBondContact OG-ND2 3.14Å |
| 454 | A | 31.4 | Very low | 35.1 | Very low | 82 Ų | 82 | 151.7 Ų | 151.7 | 68% | 0.678 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -156 | 127.7 | 159.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 455 | D | 34.3 | Very low | 34.5 | Very low | 160 Ų | 160 | 148.4 Ų | 148.4 | 86% | 0.856 | 78% | 0.781 | S | S | * | * | | | trans | 76.6 | 56.8 | 165 | -57.1 | -22.3 | 0 | 0 | 0 | 119.5 | | |
| 456 | I | 39.6 | Very low | 34.4 | Very low | 172 Ų | 172 | 146 Ų | 146 | 88% | 0.882 | 78% | 0.777 | S | S | * | * | | | trans | -130.7 | 105.5 | 146.6 | -54.6 | 179.1 | 0 | 0 | 0 | 109.8 | T458 | I456-T458 PolarHBondContact O-N 3.36Š|
| 457 | K | 38.9 | Very low | 34.3 | Very low | 193 Ų | 193 | 141.5 Ų | 141.5 | 84% | 0.839 | 77% | 0.773 | S | S | * | * | | | trans | -61.2 | 119.4 | 172.5 | -78 | 173.1 | 174 | 173.4 | 0 | 110.8 | | |
| 458 | T | 33.5 | Very low | 34.1 | Very low | 116 Ų | 116 | 141 Ų | 141 | 71% | 0.712 | 77% | 0.767 | S | S | * | * | | | trans | 37.2 | 100 | 138.4 | 61.6 | 0 | 0 | 0 | 0 | 117.6 | I456 | I456-T458 PolarHBondContact O-N 3.36Š|
| 459 | N | 36.9 | Very low | 33.8 | Very low | 167 Ų | 167 | 141.4 Ų | 141.4 | 89% | 0.893 | 77% | 0.769 | S | S | * | * | | | | -169.3 | 106.3 | 128.3 | -88.1 | -29.8 | 0 | 0 | 0 | 110.4 | | |
| 460 | G | 33.9 | Very low | 33.4 | Very low | 72 Ų | 72 | 139.3 Ų | 139.3 | 74% | 0.742 | 76% | 0.763 | S | S | * | * | S | Bend | trans | 22.5 | 90.4 | 163.3 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 461 | N | 38.5 | Very low | 33.3 | Very low | 166 Ų | 166 | 138 Ų | 138 | 89% | 0.888 | 76% | 0.764 | S | S | * | * | | | trans | -171.7 | 115.8 | 137.3 | -98.3 | -13.7 | 0 | 0 | 0 | 109 | | |
| 462 | M | 37.8 | Very low | 33.3 | Very low | 172 Ų | 172 | 138.6 Ų | 138.6 | 85% | 0.847 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 137.6 | 174.2 | -81.3 | -98.8 | -58.7 | 0 | 0 | 110.9 | L464 | M462-L464 PolarHBondContact O-N 3.34Š|
| 463 | P | 36.4 | Very low | 33.6 | Very low | 116 Ų | 116 | 134.6 Ų | 134.6 | 75% | 0.753 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 125 | 169.2 | 27.4 | -30.1 | 0 | 0 | 0 | 109.9 | S465 | P463-S465 PolarHBondContact O-N 3.18Š|
| 464 | L | 36.2 | Very low | 33.6 | Very low | 153 Ų | 153 | 131.4 Ų | 131.4 | 80% | 0.801 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 121.2 | 178.2 | -76 | 156 | 0 | 0 | 0 | 110.6 | M462 T466 | M462-L464 PolarHBondContact O-N 3.34Å; L464-T466 PolarHBondContact O-N 3.11Å |
| 465 | S | 29.9 | Very low | 33.7 | Very low | 104 Ų | 104 | 135.6 Ų | 135.6 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 124.8 | 169.7 | 173.7 | 0 | 0 | 0 | 0 | 110.3 | P463 | P463-S465 PolarHBondContact O-N 3.18Š|
| 466 | T | 30.6 | Very low | 33.5 | Very low | 110 Ų | 110 | 132.3 Ų | 132.3 | 68% | 0.675 | 75% | 0.754 | S | S | * | * | | | trans | -91.7 | 110.1 | 167.7 | -53.5 | 0 | 0 | 0 | 0 | 107.8 | L464 | L464-T466 PolarHBondContact O-N 3.11Š|
| 467 | V | 29.9 | Very low | 33.2 | Very low | 113 Ų | 113 | 129 Ų | 129 | 69% | 0.685 | 74% | 0.742 | S | S | * | * | | | trans | -92.6 | 118.2 | 173.6 | -179.9 | 0 | 0 | 0 | 0 | 107.9 | | |
| 468 | V | 28.8 | Very low | 33.1 | Very low | 87 Ų | 87 | 127.2 Ų | 127.2 | 53% | 0.527 | 74% | 0.736 | S | S | . | * | | | trans | -94.8 | 110 | 170.3 | -179.8 | 0 | 0 | 0 | 0 | 107.4 | Y470 | V468-Y470 HydrophobicContact CG1-CD2 4.22Å; V468-Y470 HydrophobicContact CG1-CE2 3.82Å |
| 469 | Q | 28.5 | Very low | 33.2 | Very low | 151 Ų | 151 | 127 Ų | 127 | 71% | 0.706 | 73% | 0.734 | S | S | * | * | | | trans | -95.6 | 120.5 | 175.3 | -167.2 | 172 | 2.1 | 0 | 0 | 109.4 | | |
| 470 | Y | 26.7 | Very low | 33.3 | Very low | 190 Ų | 190 | 125.1 Ų | 125.1 | 75% | 0.745 | 72% | 0.724 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -87.3 | 115.6 | 173.5 | -77.1 | -94.9 | 0 | 0 | 0 | 109.2 | V468 F475 | V468-Y470 HydrophobicContact CG1-CD2 4.22Å; V468-Y470 HydrophobicContact CG1-CE2 3.82Å; Y470-F475 HydrophobicContact CE1-CE1 4.36Å |
| 471 | Q | 32 | Very low | 33.5 | Very low | 160 Ų | 160 | 126.3 Ų | 126.3 | 75% | 0.748 | 72% | 0.721 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -119.6 | 134 | 165.6 | -153.2 | 173.3 | 15 | 0 | 0 | 107.9 | G473 S474 | Q471-G473 PolarHBondContact O-N 3.5Å; Q471-G473 VanDerWaalsContact O-N 3.08Å; Q471-S474 PolarHBondContact O-N 3.11Å |
| 472 | A | 32.5 | Very low | 33.6 | Very low | 111 Ų | 111 | 125.4 Ų | 125.4 | 92% | 0.917 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -39.6 | 112.1 | -170.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 473 | G | 37.8 | Very low | 33.9 | Very low | 89 Ų | 89 | 121.9 Ų | 121.9 | 92% | 0.918 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 87.3 | 7.3 | 168.2 | 0 | 0 | 0 | 0 | 0 | 117.7 | Q471 | Q471-G473 PolarHBondContact O-N 3.5Å; Q471-G473 VanDerWaalsContact O-N 3.08Å |
| 474 | S | 32 | Very low | 34.9 | Very low | 75 Ų | 75 | 122.2 Ų | 122.2 | 52% | 0.524 | 70% | 0.704 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -147.2 | 125.9 | 176.5 | -177.2 | 0 | 0 | 0 | 0 | 112.5 | Q471 V476 | Q471-S474 PolarHBondContact O-N 3.11Å; S474-V476 PolarHBondContact O-N 3.28Å |
| 475 | F | 32.6 | Very low | 35.8 | Very low | 171 Ų | 171 | 119.5 Ų | 119.5 | 75% | 0.75 | 70% | 0.697 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -83.4 | 106.7 | 171.8 | -51.2 | -82.5 | 0 | 0 | 0 | 109 | Y470 | Y470-F475 HydrophobicContact CE1-CE1 4.36Å |
| 476 | V | 31.5 | Very low | 36.5 | Very low | 91 Ų | 91 | 116.5 Ų | 116.5 | 55% | 0.552 | 68% | 0.679 | S | S | * | * | | | trans | -105.7 | 108.5 | 168.8 | -178.4 | 0 | 0 | 0 | 0 | 108.2 | S474 E478 | S474-V476 PolarHBondContact O-N 3.28Å; V476-E478 HydrophobicContact CG1-CG 4.11Å |
| 477 | T | 32.8 | Very low | 37.2 | Very low | 102 Ų | 102 | 114 Ų | 114 | 63% | 0.626 | 67% | 0.666 | S | S | * | * | | | trans | -94.2 | 98.3 | 168.6 | -28.8 | 0 | 0 | 0 | 0 | 108.3 | V479 | T477-V479 PolarHBondContact O-N 2.68Š|
| 478 | E | 35.8 | Very low | 38.1 | Very low | 155 Ų | 155 | 113.4 Ų | 113.4 | 72% | 0.724 | 66% | 0.664 | S | S | * | * | | | trans | -75.5 | 105.3 | 168.3 | -74.1 | -164.9 | 160.4 | 0 | 0 | 109.5 | V476 N480 | V476-E478 HydrophobicContact CG1-CG 4.11Å; E478-N480 PolarHBondContact O-N 3.38Å |
| 479 | V | 36.4 | Very low | 39 | Very low | 111 Ų | 111 | 115.1 Ų | 115.1 | 67% | 0.673 | 67% | 0.669 | S | S | * | * | | | trans | -92 | 97 | 166.8 | -174.7 | 0 | 0 | 0 | 0 | 107.8 | T477 S481 | T477-V479 PolarHBondContact O-N 2.68Å; V479-S481 PolarHBondContact O-N 2.98Å; V479-S481 VanDerWaalsContact O-N 3.13Å |
| 480 | N | 38.4 | Very low | 40 | Very low | 128 Ų | 128 | 111.2 Ų | 111.2 | 68% | 0.684 | 66% | 0.656 | S | S | * | * | | | trans | -65.2 | 109.7 | 176.6 | -136.2 | -8 | 0 | 0 | 0 | 108.9 | E478 | E478-N480 PolarHBondContact O-N 3.38Š|
| 481 | S | 38.4 | Very low | 41.1 | Very low | 97 Ų | 97 | 107.3 Ų | 107.3 | 68% | 0.678 | 64% | 0.643 | S | S | * | * | | | trans | -113 | 50.8 | -172.9 | 48.6 | 0 | 0 | 0 | 0 | 112 | V479 N483 | V479-S481 PolarHBondContact O-N 2.98Å; V479-S481 VanDerWaalsContact O-N 3.13Å; S481-N483 VanDerWaalsContact C-N 3.33Å; S481-N483 PolarHBondContact O-N 2.85Å |
| 482 | D | 40.9 | Very low | 41.9 | Very low | 148 Ų | 148 | 106.9 Ų | 106.9 | 79% | 0.791 | 64% | 0.638 | S | S | * | * | | | trans | -88.8 | 74.3 | 168.5 | -73.9 | -25.6 | 0 | 0 | 0 | 110 | P484 | D482-P484 VanDerWaalsContact O-CD 3.3Å; D482-P484 WeakPolarHBondContact O-CD 3.3Å |
| 483 | N | 44.9 | Very low | 42.5 | Very low | 97 Ų | 97 | 106.8 Ų | 106.8 | 52% | 0.519 | 62% | 0.622 | S | S | . | * | | | trans | -97.5 | 104.6 | 164 | -162.3 | -15.8 | 0 | 0 | 0 | 109.5 | S481 S485 A486 | S481-N483 VanDerWaalsContact C-N 3.33Å; S481-N483 PolarHBondContact O-N 2.85Å; N483-S485 PolarHBondContact O-N 2.98Å; N483-S485 VanDerWaalsContact O-N 3.11Å; N483-S485 PolarHBondContact OD1-N 3.09Å; N483-S485 PolarHBondContact OD1-OG 2.96Å; N483-A486 PolarHBondContact O-N 2.81Å |
| 484 | P | 55.9 | Low | 42.6 | Very low | 124 Ų | 124 | 106.5 Ų | 106.5 | 81% | 0.805 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.3 | -4.7 | -179.7 | 26.2 | -33.2 | 0 | 0 | 0 | 113.9 | D482 | D482-P484 VanDerWaalsContact O-CD 3.3Å; D482-P484 WeakPolarHBondContact O-CD 3.3Å |
| 485 | S | 56.2 | Low | 43.1 | Very low | 95 Ų | 95 | 113.4 Ų | 113.4 | 66% | 0.664 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.8 | -2.1 | -178.6 | 67.6 | 0 | 0 | 0 | 0 | 115.4 | N483 | N483-S485 PolarHBondContact O-N 2.98Å; N483-S485 VanDerWaalsContact O-N 3.11Å; N483-S485 PolarHBondContact OD1-N 3.09Å; N483-S485 PolarHBondContact OD1-OG 2.96Å |
| 486 | A | 43.8 | Very low | 43.3 | Very low | 41 Ų | 41 | 111.8 Ų | 111.8 | 34% | 0.339 | 62% | 0.619 | S | S | . | * | | | trans | -82.9 | 122.8 | -178 | 0 | 0 | 0 | 0 | 0 | 112.7 | N483 | N483-A486 PolarHBondContact O-N 2.81Š|
| 487 | S | 44.6 | Very low | 43.4 | Very low | 58 Ų | 58 | 113.3 Ų | 113.3 | 41% | 0.406 | 62% | 0.623 | S | S | . | * | | | trans | -51.4 | 151.8 | 179 | 77.8 | 0 | 0 | 0 | 0 | 113.4 | I489 T490 K491 | S487-I489 PolarHBondContact O-N 3.4Å; S487-I489 VanDerWaalsContact O-N 3.09Å; S487-T490 PolarHBondContact N-OG1 2.89Å; S487-T490 PolarHBondContact O-N 3.23Å; S487-T490 VanDerWaalsContact O-N 3.11Å; S487-T490 PolarHBondContact O-OG1 2.88Å; S487-T490 PolarHBondContact OG-N 2.94Å; S487-T490 PolarHBondContact OG-OG1 3.28Å; S487-K491 PolarHBondContact O-N 3.07Å |
| 488 | P | 50.2 | Low | 43.6 | Very low | 101 Ų | 101 | 114.3 Ų | 114.3 | 66% | 0.656 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62 | -19.5 | 179.8 | 23.8 | -33.3 | 0 | 0 | 0 | 113.6 | K492 | P488-K492 PolarHBondContact O-N 2.88Š|
| 489 | I | 47.5 | Very low | 43.4 | Very low | 122 Ų | 122 | 117.5 Ų | 117.5 | 63% | 0.626 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.2 | -42.4 | 176.4 | -66.6 | 169.6 | 0 | 0 | 0 | 110.5 | S487 K491 K492 L493 | S487-I489 PolarHBondContact O-N 3.4Å; S487-I489 VanDerWaalsContact O-N 3.09Å; I489-K491 VanDerWaalsContact C-N 3.32Å; I489-K491 PolarHBondContact O-N 3.1Å; I489-K492 PolarHBondContact O-N 2.86Å; I489-L493 HydrophobicContact CG2-CD1 4.06Å; I489-L493 PolarHBondContact O-N 3.39Å |
| 490 | T | 49.3 | Very low | 43.2 | Very low | 69 Ų | 69 | 116.1 Ų | 116.1 | 42% | 0.423 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -66.3 | -30.8 | 173.8 | 34.3 | 0 | 0 | 0 | 0 | 113.1 | S487 K492 S494 | S487-T490 PolarHBondContact N-OG1 2.89Å; S487-T490 PolarHBondContact O-N 3.23Å; S487-T490 VanDerWaalsContact O-N 3.11Å; S487-T490 PolarHBondContact O-OG1 2.88Å; S487-T490 PolarHBondContact OG-N 2.94Å; S487-T490 PolarHBondContact OG-OG1 3.28Å; T490-K492 VanDerWaalsContact C-N 3.34Å; T490-S494 PolarHBondContact O-N 2.97Å; T490-S494 PolarHBondContact O-OG 2.95Å |
| 491 | K | 49.3 | Very low | 42.9 | Very low | 108 Ų | 108 | 115.8 Ų | 115.8 | 47% | 0.47 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -74.1 | -19.2 | 173.2 | -71.8 | -177.2 | 179 | 179.2 | 0 | 114.1 | S487 I489 S494 R495 | S487-K491 PolarHBondContact O-N 3.07Å; I489-K491 VanDerWaalsContact C-N 3.32Å; I489-K491 PolarHBondContact O-N 3.1Å; K491-S494 PolarHBondContact O-OG 3.13Å; K491-R495 WeakPolarHBondContact O-CG 3.27Å |
| 492 | K | 49.2 | Very low | 42.6 | Very low | 151 Ų | 151 | 120.4 Ų | 120.4 | 66% | 0.657 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -89.8 | -34.4 | 175 | -79.9 | -177.4 | 176 | -177.9 | 0 | 112.3 | P488 I489 T490 R495 | P488-K492 PolarHBondContact O-N 2.88Å; I489-K492 PolarHBondContact O-N 2.86Å; T490-K492 VanDerWaalsContact C-N 3.34Å; K492-R495 PolarHBondContact O-N 3.21Å |
| 493 | L | 44.4 | Very low | 42.3 | Very low | 109 Ų | 109 | 119 Ų | 119 | 57% | 0.571 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -69.2 | -35.3 | 174.5 | -85.8 | 153 | 0 | 0 | 0 | 112.6 | I489 R495 L496 | I489-L493 HydrophobicContact CG2-CD1 4.06Å; I489-L493 PolarHBondContact O-N 3.39Å; L493-R495 PolarHBondContact O-N 3.13Å; L493-L496 PolarHBondContact O-N 3.48Å |
| 494 | S | 40.4 | Very low | 41.9 | Very low | 84 Ų | 84 | 123 Ų | 123 | 59% | 0.587 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.7 | -11.2 | 174 | 55.7 | 0 | 0 | 0 | 0 | 114.5 | T490 K491 | T490-S494 PolarHBondContact O-N 2.97Å; T490-S494 PolarHBondContact O-OG 2.95Å; K491-S494 PolarHBondContact O-OG 3.13Å |
| 495 | R | 42.5 | Very low | 41 | Very low | 219 Ų | 219 | 125 Ų | 125 | 83% | 0.826 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.6 | -5.8 | 172.9 | -71.3 | -178.8 | 177.4 | -166.6 | -1 | 113.5 | K491 K492 L493 | K491-R495 WeakPolarHBondContact O-CG 3.27Å; K492-R495 PolarHBondContact O-N 3.21Å; L493-R495 PolarHBondContact O-N 3.13Å |
| 496 | L | 36.2 | Very low | 40.3 | Very low | 137 Ų | 137 | 129.6 Ų | 129.6 | 72% | 0.717 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -110.3 | 1.2 | -175.6 | -87.2 | 159.5 | 0 | 0 | 0 | 113.8 | L493 P498 | L493-L496 PolarHBondContact O-N 3.48Å; L496-P498 WeakPolarHBondContact O-CD 3.5Å |
| 497 | I | 34.6 | Very low | 40.1 | Very low | 124 Ų | 124 | 135.5 Ų | 135.5 | 64% | 0.636 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -94.3 | 114.1 | 171.1 | -57.3 | 172.3 | 0 | 0 | 0 | 107.2 | R499 | I497-R499 PolarHBondContact O-N 3.46Š|
| 498 | P | 36.5 | Very low | 40.1 | Very low | 123 Ų | 123 | 136.9 Ų | 136.9 | 80% | 0.799 | 71% | 0.707 | S | S | * | * | | | trans | -57.1 | 112 | 167.8 | -17.8 | 30.7 | 0 | 0 | 0 | 107.8 | L496 A500 | L496-P498 WeakPolarHBondContact O-CD 3.5Å; P498-A500 PolarHBondContact O-N 3.39Å |
| 499 | R | 32.3 | Very low | 39.9 | Very low | 222 Ų | 222 | 139.5 Ų | 139.5 | 84% | 0.838 | 72% | 0.715 | S | S | * | * | | | trans | -61.2 | 107.4 | 170.8 | -79 | 179.9 | 150.3 | 146 | -6.2 | 107.1 | I497 T501 | I497-R499 PolarHBondContact O-N 3.46Å; R499-T501 VanDerWaalsContact C-N 3.32Å; R499-T501 PolarHBondContact O-N 3.48Å |
| 500 | A | 31.5 | Very low | 39.8 | Very low | 82 Ų | 82 | 141.6 Ų | 141.6 | 68% | 0.678 | 73% | 0.728 | S | S | * | * | | | trans | -63.5 | 98.8 | 165.3 | 0 | 0 | 0 | 0 | 0 | 107.2 | P498 F502 | P498-A500 PolarHBondContact O-N 3.39Å; A500-F502 PolarHBondContact O-N 3.34Å |
| 501 | T | 32.1 | Very low | 39.6 | Very low | 121 Ų | 121 | 147 Ų | 147 | 74% | 0.742 | 75% | 0.748 | S | S | * | * | | | trans | -67.2 | 108 | 159.9 | 45.8 | 0 | 0 | 0 | 0 | 106.1 | R499 V503 | R499-T501 VanDerWaalsContact C-N 3.32Å; R499-T501 PolarHBondContact O-N 3.48Å; T501-V503 PolarHBondContact O-N 3.24Å; T501-V503 VanDerWaalsContact O-N 3.07Å |
| 502 | F | 31.6 | Very low | 39.3 | Very low | 194 Ų | 194 | 145.9 Ų | 145.9 | 85% | 0.851 | 76% | 0.759 | S | S | * | * | | | trans | -61.6 | 108.5 | 168 | -79.9 | -96 | 0 | 0 | 0 | 107.4 | A500 | A500-F502 PolarHBondContact O-N 3.34Š|
| 503 | V | 35.6 | Very low | 38.9 | Very low | 119 Ų | 119 | 147.2 Ų | 147.2 | 72% | 0.721 | 77% | 0.767 | S | S | * | * | | | trans | -92.8 | 112.8 | 156.9 | 176.6 | 0 | 0 | 0 | 0 | 103.8 | T501 E505 | T501-V503 PolarHBondContact O-N 3.24Å; T501-V503 VanDerWaalsContact O-N 3.07Å; V503-E505 PolarHBondContact O-N 3.03Å |
| 504 | E | 35.5 | Very low | 38.8 | Very low | 181 Ų | 181 | 149.9 Ų | 149.9 | 85% | 0.846 | 78% | 0.778 | S | S | * | * | | | trans | -65.6 | 92.9 | 165.2 | -73.3 | 179.7 | 159.9 | 0 | 0 | 106.6 | E506 | E504-E506 PolarHBondContact O-N 3.43Š|
| 505 | E | 38.2 | Very low | 38.6 | Very low | 165 Ų | 165 | 154.7 Ų | 154.7 | 77% | 0.771 | 79% | 0.789 | S | S | * | * | | | trans | -79.6 | 108.5 | 166.8 | -165.3 | 166.9 | -156.5 | 0 | 0 | 106.7 | V503 M507 | V503-E505 PolarHBondContact O-N 3.03Å; E505-M507 VanDerWaalsContact C-N 3.33Å; E505-M507 PolarHBondContact O-N 3.26Å |
| 506 | E | 40.8 | Very low | 38.4 | Very low | 191 Ų | 191 | 150.7 Ų | 150.7 | 89% | 0.893 | 79% | 0.789 | S | S | * | * | | | trans | -57.8 | 91.3 | 174.3 | -169.2 | 176.1 | -167 | 0 | 0 | 109 | E504 A508 | E504-E506 PolarHBondContact O-N 3.43Å; E506-A508 PolarHBondContact O-N 3.42Å; E506-A508 VanDerWaalsContact O-N 3.1Å |
| 507 | M | 40.1 | Very low | 38.3 | Very low | 165 Ų | 165 | 151.6 Ų | 151.6 | 81% | 0.813 | 80% | 0.795 | S | S | * | * | | | trans | -71.6 | 102.5 | 173.9 | -72.8 | -91.1 | -74.6 | 0 | 0 | 107.9 | E505 D509 | E505-M507 VanDerWaalsContact C-N 3.33Å; E505-M507 PolarHBondContact O-N 3.26Å; M507-D509 PolarHBondContact O-N 3.38Å |
| 508 | A | 44.9 | Very low | 38.5 | Very low | 87 Ų | 87 | 150.3 Ų | 150.3 | 72% | 0.719 | 80% | 0.802 | S | S | * | * | | | trans | -54.5 | 123.6 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | E506 D510 | E506-A508 PolarHBondContact O-N 3.42Å; E506-A508 VanDerWaalsContact O-N 3.1Å; A508-D510 PolarHBondContact O-N 2.67Å |
| 509 | D | 45.3 | Very low | 38.3 | Very low | 156 Ų | 156 | 148.9 Ų | 148.9 | 83% | 0.834 | 80% | 0.801 | S | S | * | * | | | trans | -63.7 | 102.8 | 172.3 | -80.2 | -42 | 0 | 0 | 0 | 109.7 | M507 E511 | M507-D509 PolarHBondContact O-N 3.38Å; D509-E511 VanDerWaalsContact C-N 3.34Å; D509-E511 PolarHBondContact O-N 3.29Å |
| 510 | D | 45.5 | Very low | 38.7 | Very low | 167 Ų | 167 | 145.8 Ų | 145.8 | 89% | 0.893 | 80% | 0.801 | S | S | * | * | | | trans | -68.2 | 94.5 | 163.7 | -86.5 | -23.9 | 0 | 0 | 0 | 108.7 | A508 A512 | A508-D510 PolarHBondContact O-N 2.67Å; D510-A512 PolarHBondContact O-N 3.44Å |
| 511 | E | 45.2 | Very low | 38.8 | Very low | 183 Ų | 183 | 147.3 Ų | 147.3 | 86% | 0.855 | 81% | 0.807 | S | S | * | * | | | trans | -57.4 | 130.6 | 173.4 | -80.6 | -173.1 | 154.9 | 0 | 0 | 111.9 | D509 H513 | D509-E511 VanDerWaalsContact C-N 3.34Å; D509-E511 PolarHBondContact O-N 3.29Å; E511-H513 PolarHBondContact O-N 3.24Å |
| 512 | A | 42.6 | Very low | 39.4 | Very low | 83 Ų | 83 | 150.4 Ų | 150.4 | 69% | 0.686 | 81% | 0.813 | S | S | * | * | | | trans | -45.8 | 118 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | D510 M514 | D510-A512 PolarHBondContact O-N 3.44Å; A512-M514 PolarHBondContact O-N 2.9Å |
| 513 | H | 41 | Very low | 39.6 | Very low | 180 Ų | 180 | 150.5 Ų | 150.5 | 83% | 0.833 | 82% | 0.816 | S | S | * | * | | | trans | -62.1 | 85.1 | 148.7 | -77.1 | -63 | 0 | 0 | 0 | 110.3 | E511 | E511-H513 PolarHBondContact O-N 3.24Š|
| 514 | M | 42.1 | Very low | 39.9 | Very low | 164 Ų | 164 | 152.6 Ų | 152.6 | 81% | 0.808 | 82% | 0.821 | S | S | * | * | | | trans | -97.7 | 105.4 | 155.7 | -78.6 | -153.7 | -60.1 | 0 | 0 | 109.2 | A512 T516 | A512-M514 PolarHBondContact O-N 2.9Å; M514-T516 PolarHBondContact O-N 3.24Å |
| 515 | F | 37.4 | Very low | 40.1 | Very low | 185 Ų | 185 | 151.6 Ų | 151.6 | 81% | 0.811 | 82% | 0.822 | S | S | * | * | | | trans | -57.5 | 115.7 | 163.9 | -76 | -94.6 | 0 | 0 | 0 | 109.1 | N517 | F515-N517 PolarHBondContact O-N 3.44Š|
| 516 | T | 36.8 | Very low | 39.8 | Very low | 135 Ų | 135 | 153 Ų | 153 | 83% | 0.828 | 83% | 0.826 | S | S | * | * | | | trans | -66 | 108.2 | 160.8 | 37.3 | 0 | 0 | 0 | 0 | 108.3 | M514 A518 | M514-T516 PolarHBondContact O-N 3.24Å; T516-A518 PolarHBondContact O-N 3.27Å; T516-A518 VanDerWaalsContact O-N 3.16Å |
| 517 | N | 35.2 | Very low | 39.7 | Very low | 157 Ų | 157 | 149.4 Ų | 149.4 | 84% | 0.84 | 82% | 0.819 | S | S | * | * | | | trans | -74.3 | 97.1 | 158.5 | -80.2 | -26.7 | 0 | 0 | 0 | 106.8 | F515 A519 | F515-N517 PolarHBondContact O-N 3.44Å; N517-A519 PolarHBondContact O-N 3.08Å; N517-A519 VanDerWaalsContact O-N 3.14Å |
| 518 | A | 37.4 | Very low | 39.5 | Very low | 96 Ų | 96 | 147.9 Ų | 147.9 | 79% | 0.793 | 81% | 0.814 | S | S | * | * | | | trans | -66.4 | 103.9 | 160.6 | 0 | 0 | 0 | 0 | 0 | 107.5 | T516 | T516-A518 PolarHBondContact O-N 3.27Å; T516-A518 VanDerWaalsContact O-N 3.16Å |
| 519 | A | 34 | Very low | 39.1 | Very low | 93 Ų | 93 | 151 Ų | 151 | 77% | 0.769 | 82% | 0.824 | S | S | * | * | | | trans | -96 | 86.3 | 161.4 | 0 | 0 | 0 | 0 | 0 | 106.3 | N517 | N517-A519 PolarHBondContact O-N 3.08Å; N517-A519 VanDerWaalsContact O-N 3.14Å |
| 520 | D | 39.5 | Very low | 38.7 | Very low | 157 Ų | 157 | 154.4 Ų | 154.4 | 84% | 0.84 | 83% | 0.825 | S | S | * | * | | | trans | -120.3 | 115.8 | 158 | -88.1 | -33.2 | 0 | 0 | 0 | 107.9 | | |
| 521 | S | 34.1 | Very low | 38.3 | Very low | 114 Ų | 114 | 155.2 Ų | 155.2 | 80% | 0.797 | 82% | 0.823 | S | S | * | * | | | trans | -69.6 | 118.5 | 176.8 | 35.2 | 0 | 0 | 0 | 0 | 111.1 | | |
| 522 | E | 44.3 | Very low | 37.7 | Very low | 187 Ų | 187 | 152.8 Ų | 152.8 | 87% | 0.874 | 82% | 0.821 | S | S | * | * | | | trans | -132.5 | 125.2 | 148.8 | -77.5 | -166.8 | 163.1 | 0 | 0 | 110.3 | | |
| 523 | E | 35.8 | Very low | 37.3 | Very low | 195 Ų | 195 | 154.8 Ų | 154.8 | 91% | 0.911 | 83% | 0.825 | S | S | * | * | | | trans | -79.7 | 110.2 | -177.6 | 172.9 | -177 | -168.5 | 0 | 0 | 109.5 | | |
| 524 | I | 41.8 | Very low | 36.8 | Very low | 163 Ų | 163 | 156.4 Ų | 156.4 | 84% | 0.836 | 83% | 0.825 | S | S | * | * | | | trans | -143 | 129.4 | 164.4 | -57.8 | -177.9 | 0 | 0 | 0 | 110.4 | | |
| 525 | D | 39.6 | Very low | 36.5 | Very low | 160 Ų | 160 | 154 Ų | 154 | 86% | 0.856 | 82% | 0.821 | S | S | * | * | | | trans | -58.5 | 147.4 | -171.2 | -83 | -50.5 | 0 | 0 | 0 | 118.2 | | |
| 526 | F | 32.6 | Very low | 36.3 | Very low | 195 Ų | 195 | 156.2 Ų | 156.2 | 86% | 0.855 | 83% | 0.826 | S | S | * | * | | | trans | -64.9 | 164.6 | 168.4 | -86.4 | -77.2 | 0 | 0 | 0 | 112.9 | | |
| 527 | P | 39.1 | Very low | 36.2 | Very low | 115 Ų | 115 | 158.4 Ų | 158.4 | 75% | 0.747 | 83% | 0.827 | S | S | * | * | | | | -156.3 | 170.9 | 54.7 | 40.8 | -17.2 | 0 | 0 | 0 | 120.5 | | |
| 528 | N | 36.1 | Very low | 35.8 | Very low | 134 Ų | 134 | 155.8 Ų | 155.8 | 72% | 0.717 | 83% | 0.827 | S | S | * | * | | | trans | 91.2 | 85.1 | 139.5 | -128.7 | -13.8 | 0 | 0 | 0 | 119.5 | | |
| 529 | V | 36.8 | Very low | 35.6 | Very low | 151 Ų | 151 | 158.9 Ų | 158.9 | 92% | 0.915 | 83% | 0.83 | S | S | * | * | | | trans | -146.8 | 126.4 | 143.3 | -172.9 | 0 | 0 | 0 | 0 | 111 | | |
| 530 | R | 36.4 | Very low | 35.7 | Very low | 229 Ų | 229 | 160.1 Ų | 160.1 | 86% | 0.864 | 83% | 0.829 | S | S | * | * | | | trans | -63.7 | 130.2 | -173.4 | -65.3 | 172.3 | 164.6 | 179.9 | -6.5 | 114.1 | | |
| 531 | Q | 36.8 | Very low | 35.7 | Very low | 183 Ų | 183 | 159.2 Ų | 159.2 | 86% | 0.855 | 83% | 0.83 | S | S | * | * | | | trans | -84.5 | 131.9 | 159.1 | -90 | 178.3 | -9.6 | 0 | 0 | 110.4 | | |
| 532 | T | 33.3 | Very low | 35.7 | Very low | 133 Ų | 133 | 162.4 Ų | 162.4 | 82% | 0.816 | 83% | 0.832 | S | S | * | * | | | trans | -106.4 | 122.4 | 164.9 | 36.6 | 0 | 0 | 0 | 0 | 108.7 | | |
| 533 | V | 33.9 | Very low | 35.3 | Very low | 124 Ų | 124 | 160.2 Ų | 160.2 | 75% | 0.752 | 83% | 0.826 | S | S | * | * | | | trans | -108.9 | 125.4 | 174.2 | 174.1 | 0 | 0 | 0 | 0 | 107.1 | | |
| 534 | Y | 29.8 | Very low | 35.3 | Very low | 214 Ų | 214 | 155.1 Ų | 155.1 | 84% | 0.839 | 81% | 0.812 | S | S | * | * | | | trans | -106.3 | 131 | 166.1 | -94.5 | -85.2 | 0 | 0 | 0 | 109.4 | | |
| 535 | P | 36.6 | Very low | 34.8 | Very low | 113 Ų | 113 | 159.1 Ų | 159.1 | 73% | 0.734 | 82% | 0.817 | S | S | * | * | | | trans | -88.7 | 140.4 | 171.3 | 34.6 | -28.3 | 0 | 0 | 0 | 109.9 | | |
| 536 | Y | 32.4 | Very low | 34.4 | Very low | 232 Ų | 232 | 160.2 Ų | 160.2 | 91% | 0.91 | 82% | 0.817 | S | S | * | * | | | trans | -114.3 | 121 | 165.7 | -114.7 | -90.2 | 0 | 0 | 0 | 109.9 | | |
| 537 | Q | 33.9 | Very low | 34.2 | Very low | 182 Ų | 182 | 157.6 Ų | 157.6 | 85% | 0.85 | 82% | 0.817 | S | S | * | * | | | trans | -63.4 | 144.3 | 175.3 | -77.5 | 166.8 | -37.1 | 0 | 0 | 111.9 | | |
| 538 | A | 28.4 | Very low | 33.8 | Very low | 102 Ų | 102 | 157.7 Ų | 157.7 | 84% | 0.843 | 82% | 0.815 | S | S | * | * | | | trans | -84.5 | 128 | 163.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 539 | L | 32.7 | Very low | 33.4 | Very low | 161 Ų | 161 | 157.2 Ų | 157.2 | 84% | 0.843 | 82% | 0.816 | S | S | * | * | | | trans | -107.2 | 130.9 | 165.3 | -83.5 | 161.8 | 0 | 0 | 0 | 108.3 | | |
| 540 | P | 35.6 | Very low | 33 | Very low | 118 Ų | 118 | 157.8 Ų | 157.8 | 77% | 0.766 | 81% | 0.814 | S | S | * | * | | | trans | -89.7 | 131.6 | 171.3 | 33.1 | -26.6 | 0 | 0 | 0 | 109.8 | | |
| 541 | T | 39.7 | Very low | 32.7 | Very low | 139 Ų | 139 | 154.8 Ų | 154.8 | 85% | 0.853 | 81% | 0.809 | S | S | * | * | | | trans | -132.8 | 118.1 | 161 | 43.2 | 0 | 0 | 0 | 0 | 109.5 | | |
| 542 | H | 34.8 | Very low | 32.4 | Very low | 181 Ų | 181 | 156.7 Ų | 156.7 | 84% | 0.838 | 81% | 0.809 | S | S | * | * | | | trans | -46.2 | 139.1 | 154.2 | -81.4 | -105.5 | 0 | 0 | 0 | 109.6 | | |
| 543 | D | 35.3 | Very low | 32.2 | Very low | 141 Ų | 141 | 161.2 Ų | 161.2 | 75% | 0.754 | 81% | 0.811 | S | S | * | * | | | | 164.2 | 147.8 | 94.2 | -146.4 | -12.5 | 0 | 0 | 0 | 111.5 | | |
| 544 | S | 36.4 | Very low | 31.9 | Very low | 87 Ų | 87 | 163.7 Ų | 163.7 | 61% | 0.608 | 81% | 0.814 | S | S | * | * | | | trans | 46 | 107.8 | 150.3 | 65.4 | 0 | 0 | 0 | 0 | 121.4 | | |
| 545 | R | 30.2 | Very low | 32 | Very low | 247 Ų | 247 | 159 Ų | 159 | 93% | 0.932 | 81% | 0.812 | S | S | * | * | | | | 45.1 | 98.5 | 125.5 | -63.3 | -179.3 | 173 | -175.9 | -2.2 | 117.5 | | |
| 546 | Q | 32.8 | Very low | 31.7 | Very low | 184 Ų | 184 | 160.5 Ų | 160.5 | 86% | 0.86 | 81% | 0.813 | S | S | * | * | | | trans | -153.6 | 101.4 | 143.6 | -110.8 | 171.2 | 19.9 | 0 | 0 | 110 | V548 | Q546-V548 PolarHBondContact O-N 3Š|
| 547 | T | 27.6 | Very low | 32 | Very low | 139 Ų | 139 | 154.9 Ų | 154.9 | 85% | 0.853 | 80% | 0.804 | S | S | * | * | | | trans | -72.8 | 108.6 | 164.8 | 40.8 | 0 | 0 | 0 | 0 | 108.7 | | |
| 548 | V | 29.7 | Very low | 32 | Very low | 117 Ų | 117 | 153.5 Ų | 153.5 | 71% | 0.709 | 80% | 0.803 | S | S | * | * | | | trans | -95.5 | 106.9 | 168.5 | -178.2 | 0 | 0 | 0 | 0 | 108 | Q546 L550 | Q546-V548 PolarHBondContact O-N 3Å; V548-L550 PolarHBondContact O-N 3.13Å |
| 549 | V | 28.8 | Very low | 32.4 | Very low | 124 Ų | 124 | 155 Ų | 155 | 75% | 0.752 | 80% | 0.802 | S | S | * | * | | | trans | -77.9 | 107.7 | 171.9 | 177.3 | 0 | 0 | 0 | 0 | 108 | Q551 | V549-Q551 PolarHBondContact O-N 3.11Š|
| 550 | L | 29.1 | Very low | 32.7 | Very low | 163 Ų | 163 | 153.7 Ų | 153.7 | 85% | 0.853 | 80% | 0.8 | S | S | * | * | | | trans | -82.2 | 93.2 | 170.1 | -88.3 | 157.3 | 0 | 0 | 0 | 109.5 | V548 R552 | V548-L550 PolarHBondContact O-N 3.13Å; L550-R552 PolarHBondContact O-N 3.16Å |
| 551 | Q | 30 | Very low | 32.7 | Very low | 166 Ų | 166 | 155.7 Ų | 155.7 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | | | trans | -75.8 | 103.1 | 172.7 | -171.1 | 174.2 | 7.3 | 0 | 0 | 109.8 | V549 R553 | V549-Q551 PolarHBondContact O-N 3.11Å; Q551-R553 PolarHBondContact O-N 2.99Å |
| 552 | R | 29.2 | Very low | 32.7 | Very low | 224 Ų | 224 | 154.3 Ų | 154.3 | 85% | 0.845 | 79% | 0.793 | S | S | * | * | | | trans | -75.6 | 112.5 | 167.3 | -88.9 | -175.8 | 179.1 | 175.3 | 0.1 | 109.5 | L550 H554 | L550-R552 PolarHBondContact O-N 3.16Å; R552-H554 PolarHBondContact O-N 3.28Å |
| 553 | R | 28.5 | Very low | 32.7 | Very low | 228 Ų | 228 | 152.6 Ų | 152.6 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | | | trans | -73.6 | 117 | 167.7 | -72.1 | -178.3 | 162.4 | -167.5 | -5.2 | 109.1 | Q551 | Q551-R553 PolarHBondContact O-N 2.99Š|
| 554 | H | 29 | Very low | 32.9 | Very low | 176 Ų | 176 | 155.4 Ų | 155.4 | 82% | 0.815 | 80% | 0.795 | S | S | * | * | | | trans | -87.7 | 116.2 | 159.4 | -68.1 | -81.6 | 0 | 0 | 0 | 107.9 | R552 | R552-H554 PolarHBondContact O-N 3.28Š|
| 555 | S | 31.6 | Very low | 33 | Very low | 114 Ų | 114 | 159.6 Ų | 159.6 | 80% | 0.797 | 80% | 0.803 | S | S | * | * | | | trans | -103.9 | 110.6 | 165.9 | 52.6 | 0 | 0 | 0 | 0 | 108.5 | | |
| 556 | I | 30.5 | Very low | 33.2 | Very low | 146 Ų | 146 | 158.8 Ų | 158.8 | 75% | 0.749 | 80% | 0.8 | S | S | * | * | | | trans | -90.2 | 131.4 | 163.1 | -61.8 | 167.6 | 0 | 0 | 0 | 106.1 | | |
| 557 | P | 38.3 | Very low | 33.5 | Very low | 113 Ų | 113 | 160.3 Ų | 160.3 | 73% | 0.734 | 80% | 0.803 | S | S | * | * | | | trans | -87.6 | 110.8 | 163.1 | 30.3 | -24.2 | 0 | 0 | 0 | 109.6 | | |
| 558 | D | 33.6 | Very low | 33.8 | Very low | 153 Ų | 153 | 159.5 Ų | 159.5 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | | | trans | -68.3 | 119.7 | 155.4 | -83.5 | -37.2 | 0 | 0 | 0 | 108.3 | | |
| 559 | T | 37.5 | Very low | 34.1 | Very low | 134 Ų | 134 | 165.6 Ų | 165.6 | 82% | 0.822 | 81% | 0.808 | S | S | * | * | | | trans | -137.5 | 106.1 | 159.8 | 33.7 | 0 | 0 | 0 | 0 | 109.7 | | |
| 560 | T | 39.1 | Very low | 34.3 | Very low | 133 Ų | 133 | 166.2 Ų | 166.2 | 82% | 0.816 | 81% | 0.812 | S | S | * | * | | | trans | -65.4 | 131.3 | 165.4 | 44.4 | 0 | 0 | 0 | 0 | 111.7 | | |
| 561 | E | 34.7 | Very low | 34.3 | Very low | 161 Ų | 161 | 163.8 Ų | 163.8 | 75% | 0.752 | 81% | 0.808 | S | S | * | * | | | trans | 22.2 | 144.3 | 142.2 | -72.8 | -86.9 | 159.5 | 0 | 0 | 119.5 | | |
| 562 | P | 39.3 | Very low | 34.4 | Very low | 110 Ų | 110 | 161.9 Ų | 161.9 | 71% | 0.714 | 81% | 0.811 | S | S | * | * | | | | -154.4 | 156 | 60.6 | 38.6 | -16.4 | 0 | 0 | 0 | 119.6 | | |
| 563 | L | 36.1 | Very low | 34.4 | Very low | 144 Ų | 144 | 157.7 Ų | 157.7 | 75% | 0.754 | 81% | 0.81 | S | S | * | * | | | trans | 32.5 | 111.6 | 139.4 | -74.8 | 149.7 | 0 | 0 | 0 | 120.4 | | |
| 564 | F | 38.6 | Very low | 34.9 | Very low | 201 Ų | 201 | 154.3 Ų | 154.3 | 88% | 0.882 | 81% | 0.808 | S | S | * | * | | | trans | -150.8 | 102.3 | 141.3 | -106.9 | -80.7 | 0 | 0 | 0 | 114.4 | | |
| 565 | K | 39.5 | Very low | 35.4 | Very low | 175 Ų | 175 | 158 Ų | 158 | 76% | 0.761 | 83% | 0.829 | S | S | * | * | | | trans | 21.8 | 120.6 | 144.1 | -66.4 | 173.9 | 179.5 | 172 | 0 | 122.4 | | |
| 566 | R | 34.3 | Very low | 35.6 | Very low | 230 Ų | 230 | 160.2 Ų | 160.2 | 87% | 0.868 | 83% | 0.83 | S | S | * | * | | | | 55.2 | 125.6 | 125.6 | -68.5 | -175.5 | 177.4 | 168.4 | -0.7 | 121.1 | | |
| 567 | K | 38.2 | Very low | 35.8 | Very low | 216 Ų | 216 | 160.9 Ų | 160.9 | 94% | 0.939 | 84% | 0.835 | S | S | * | * | | | | -153.1 | 113.3 | 123.1 | -106.5 | 169.3 | -174.3 | 175.1 | 0 | 111.3 | | |
| 568 | T | 34.1 | Very low | 35.7 | Very low | 121 Ų | 121 | 163.6 Ų | 163.6 | 74% | 0.742 | 84% | 0.84 | S | S | * | * | | | trans | -90.2 | 142.1 | 168.3 | 37.5 | 0 | 0 | 0 | 0 | 111 | | |
| 569 | R | 36.6 | Very low | 35.8 | Very low | 246 Ų | 246 | 164.2 Ų | 164.2 | 93% | 0.928 | 84% | 0.841 | S | S | * | * | | | trans | -144.2 | 96.9 | 152.1 | -78.9 | -171.7 | 172.3 | -175.6 | -3 | 105.8 | | |
| 570 | V | 33.1 | Very low | 35.7 | Very low | 137 Ų | 137 | 166.1 Ų | 166.1 | 83% | 0.83 | 84% | 0.843 | S | S | * | * | | | | 65.6 | 123.6 | 89.4 | -177.5 | 0 | 0 | 0 | 0 | 113.9 | | |
| 571 | C | 27.9 | Very low | 35.5 | Very low | 112 Ų | 112 | 168.3 Ų | 168.3 | 76% | 0.757 | 84% | 0.844 | S | S | * | * | | | trans | -64.4 | 163.9 | -172.1 | -56.3 | 0 | 0 | 0 | 0 | 116.9 | | |
| 572 | C | 33 | Very low | 35.5 | Very low | 125 Ų | 125 | 168.8 Ų | 168.8 | 85% | 0.845 | 85% | 0.851 | S | S | * | * | | | trans | -140 | 119.2 | 132.6 | -82.2 | 0 | 0 | 0 | 0 | 109.4 | | |
| 573 | V | 28.9 | Very low | 35.2 | Very low | 137 Ų | 137 | 173.3 Ų | 173.3 | 83% | 0.83 | 86% | 0.861 | S | S | * | * | | | trans | -102.2 | 134.6 | 151.6 | 167.8 | 0 | 0 | 0 | 0 | 105 | | |
| 574 | L | 38.6 | Very low | 35.2 | Very low | 156 Ų | 156 | 175.8 Ų | 175.8 | 82% | 0.817 | 87% | 0.87 | S | S | * | * | | | trans | -132.5 | 120.6 | 166.2 | -110.2 | 146.5 | 0 | 0 | 0 | 106.4 | | |
| 575 | M | 39.6 | Very low | 34.9 | Very low | 253 Ų | 253 | 173.5 Ų | 173.5 | 100% | 1.246 | 87% | 0.869 | S | S | * | * | | | trans | 16.9 | 0 | 174.7 | -65.1 | -164.4 | -175.9 | 0 | 0 | 120.2 | | |