| 1 | T | 42.4 | Very low | 58.6 | Low | 195 Ų | 195 | 138.2 Ų | 138.2 | 100% | 1.196 | 82% | 0.821 | S | S | * | * | | | | 0 | 106.2 | 0 | -56.4 | 0 | 0 | 0 | 0 | 109.5 | | |
| 2 | A | 50.4 | Low | 59 | Low | 105 Ų | 105 | 141.3 Ų | 141.3 | 87% | 0.868 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 128.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 3 | K | 59.6 | Low | 59.5 | Low | 210 Ų | 210 | 136.5 Ų | 136.5 | 91% | 0.913 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -92.6 | 133.1 | 172.9 | -108 | 179.5 | 178 | 179.2 | 0 | 109.5 | | |
| 4 | S | 62.9 | Low | 59.4 | Low | 109 Ų | 109 | 135 Ų | 135 | 76% | 0.762 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -46.2 | 151.7 | -174.3 | -172.3 | 0 | 0 | 0 | 0 | 115.5 | A6 | S4-A6 PolarHBondContact O-N 3.15Š|
| 5 | P | 62 | Low | 59.4 | Low | 115 Ų | 115 | 139 Ų | 139 | 75% | 0.747 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 135.6 | 175.6 | -13.6 | 28.2 | 0 | 0 | 0 | 110.7 | T7 | P5-T7 PolarHBondContact O-N 3.19Š|
| 6 | A | 63.1 | Low | 59.5 | Low | 92 Ų | 92 | 135.8 Ų | 135.8 | 76% | 0.76 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 129.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | S4 C8 | S4-A6 PolarHBondContact O-N 3.15Å; A6-C8 PolarHBondContact O-N 2.88Å |
| 7 | T | 61.8 | Low | 59.5 | Low | 108 Ų | 108 | 135.5 Ų | 135.5 | 66% | 0.663 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 118 | 177.9 | 51.9 | 0 | 0 | 0 | 0 | 110.4 | P5 Y9 | P5-T7 PolarHBondContact O-N 3.19Å; T7-Y9 PolarHBondContact O-N 3.23Å; T7-Y9 VanDerWaalsContact O-N 3.11Å |
| 8 | C | 60 | Low | 59.6 | Low | 123 Ų | 123 | 134.4 Ų | 134.4 | 83% | 0.831 | 77% | 0.773 | S | S | * | * | | | trans | -69.7 | 104 | 174.5 | -59.4 | 0 | 0 | 0 | 0 | 109.7 | A6 T10 | A6-C8 PolarHBondContact O-N 2.88Å; C8-T10 PolarHBondContact O-N 3.26Å |
| 9 | Y | 62.3 | Low | 59.4 | Low | 195 Ų | 195 | 137.4 Ų | 137.4 | 77% | 0.765 | 78% | 0.779 | S | S | * | * | | | trans | -73.3 | 107 | 168.9 | -81 | -89.5 | 0 | 0 | 0 | 109 | T7 N11 | T7-Y9 PolarHBondContact O-N 3.23Å; T7-Y9 VanDerWaalsContact O-N 3.11Å; Y9-N11 PolarHBondContact O-N 3.42Å |
| 10 | T | 57.5 | Low | 59.5 | Low | 117 Ų | 117 | 136.2 Ų | 136.2 | 72% | 0.718 | 77% | 0.771 | S | S | * | * | | | trans | -70 | 97.6 | 165.5 | -65.5 | 0 | 0 | 0 | 0 | 107.8 | C8 Q12 | C8-T10 PolarHBondContact O-N 3.26Å; T10-Q12 HydrophobicContact CG2-CG 4.04Å; T10-Q12 PolarHBondContact O-N 2.83Å |
| 11 | N | 62.7 | Low | 59.3 | Low | 151 Ų | 151 | 133.1 Ų | 133.1 | 81% | 0.807 | 76% | 0.758 | S | S | * | * | | | trans | -64.7 | 90.9 | 162.9 | -67 | -57.4 | 0 | 0 | 0 | 107.1 | Y9 S13 | Y9-N11 PolarHBondContact O-N 3.42Å; N11-S13 PolarHBondContact O-N 2.87Å |
| 12 | Q | 63.2 | Low | 60.2 | Low | 176 Ų | 176 | 128.5 Ų | 128.5 | 82% | 0.822 | 74% | 0.739 | S | S | * | * | | | trans | -61.9 | 107.7 | 164.1 | -66.7 | -172.3 | 0.3 | 0 | 0 | 106.3 | T10 | T10-Q12 HydrophobicContact CG2-CG 4.04Å; T10-Q12 PolarHBondContact O-N 2.83Å |
| 13 | S | 66.3 | Low | 60.6 | Low | 79 Ų | 79 | 130.1 Ų | 130.1 | 55% | 0.552 | 73% | 0.733 | S | S | * | * | | | trans | -62.4 | 136.1 | 170.6 | 62.9 | 0 | 0 | 0 | 0 | 107.9 | N11 Y15 | N11-S13 PolarHBondContact O-N 2.87Å; S13-Y15 VanDerWaalsContact C-N 3.26Å; S13-Y15 PolarHBondContact O-N 3.01Å |
| 14 | P | 57.4 | Low | 60.7 | Low | 115 Ų | 115 | 122.6 Ų | 122.6 | 75% | 0.747 | 71% | 0.71 | S | S | * | * | | | trans | -73.3 | 92.6 | 170.7 | 31.6 | -28.1 | 0 | 0 | 0 | 105.6 | S16 | P14-S16 PolarHBondContact O-N 3.02Š|
| 15 | Y | 59.3 | Low | 60.6 | Low | 195 Ų | 195 | 127.1 Ų | 127.1 | 77% | 0.765 | 72% | 0.716 | S | S | * | * | | | trans | -69.7 | 86.1 | 163.9 | -118.4 | -85.8 | 0 | 0 | 0 | 105.9 | S13 V17 | S13-Y15 VanDerWaalsContact C-N 3.26Å; S13-Y15 PolarHBondContact O-N 3.01Å; Y15-V17 PolarHBondContact O-N 3.11Å; Y15-V17 VanDerWaalsContact O-N 3.15Å |
| 16 | S | 61.8 | Low | 60.6 | Low | 87 Ų | 87 | 129.5 Ų | 129.5 | 61% | 0.608 | 71% | 0.711 | S | S | * | * | | | trans | -59.6 | 115.7 | 163 | -53.3 | 0 | 0 | 0 | 0 | 105.6 | P14 I18 | P14-S16 PolarHBondContact O-N 3.02Å; S16-I18 VanDerWaalsContact C-N 3.34Å; S16-I18 PolarHBondContact O-N 2.81Å |
| 17 | V | 59.5 | Low | 60.7 | Low | 131 Ų | 131 | 130.1 Ų | 130.1 | 79% | 0.794 | 71% | 0.706 | S | S | * | * | | | trans | -57.5 | 99.9 | 172.9 | 171.9 | 0 | 0 | 0 | 0 | 106.9 | Y15 E19 | Y15-V17 PolarHBondContact O-N 3.11Å; Y15-V17 VanDerWaalsContact O-N 3.15Å; V17-E19 PolarHBondContact O-N 3.5Å |
| 18 | I | 60.3 | Low | 61.2 | Low | 117 Ų | 117 | 131.7 Ų | 131.7 | 60% | 0.6 | 72% | 0.721 | S | S | * | * | | | trans | -80.8 | 99.1 | 171.9 | -58.5 | 175.7 | 0 | 0 | 0 | 104.8 | S16 N20 S21 | S16-I18 VanDerWaalsContact C-N 3.34Å; S16-I18 PolarHBondContact O-N 2.81Å; I18-N20 PolarHBondContact O-N 2.85Å; I18-S21 PolarHBondContact O-N 3.49Å; I18-S21 PolarHBondContact O-OG 2.98Å |
| 19 | E | 56.7 | Low | 61.5 | Low | 190 Ų | 190 | 128.9 Ų | 128.9 | 89% | 0.888 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.1 | 21.1 | -178.3 | -140.9 | 173 | -164.9 | 0 | 0 | 113.8 | V17 | V17-E19 PolarHBondContact O-N 3.5Š|
| 20 | N | 59.9 | Low | 61.9 | Low | 113 Ų | 113 | 125.7 Ų | 125.7 | 60% | 0.604 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -141.2 | 34.5 | -178.1 | -155.4 | 5.5 | 0 | 0 | 0 | 112.8 | I18 A22 | I18-N20 PolarHBondContact O-N 2.85Å; N20-A22 PolarHBondContact O-N 3.3Å |
| 21 | S | 56.9 | Low | 62.8 | Low | 72 Ų | 72 | 129.7 Ų | 129.7 | 50% | 0.503 | 71% | 0.71 | S | S | . | * | G | 310 helix | trans | -61.1 | -6.9 | -179.2 | -51.8 | 0 | 0 | 0 | 0 | 115.1 | I18 L23 | I18-S21 PolarHBondContact O-N 3.49Å; I18-S21 PolarHBondContact O-OG 2.98Å; S21-L23 VanDerWaalsContact C-N 3.26Å; S21-L23 PolarHBondContact O-N 3Å |
| 22 | A | 60.5 | Low | 63.4 | Low | 98 Ų | 98 | 132.6 Ų | 132.6 | 81% | 0.81 | 72% | 0.715 | S | S | * | * | G | 310 helix | trans | -73.1 | -12.3 | -175 | 0 | 0 | 0 | 0 | 0 | 114.4 | N20 | N20-A22 PolarHBondContact O-N 3.3Š|
| 23 | L | 59.7 | Low | 63.6 | Low | 140 Ų | 140 | 130.3 Ų | 130.3 | 73% | 0.733 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -121.6 | 7.4 | -176.2 | -90.9 | 153.1 | 0 | 0 | 0 | 114.3 | S21 F25 | S21-L23 VanDerWaalsContact C-N 3.26Å; S21-L23 PolarHBondContact O-N 3Å; L23-F25 PolarHBondContact O-N 3.45Å |
| 24 | A | 61.9 | Low | 64.3 | Low | 51 Ų | 51 | 132.2 Ų | 132.2 | 42% | 0.421 | 73% | 0.727 | S | S | . | * | | | trans | -85.8 | 114.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y26 | A24-Y26 HydrophobicContact CB-CD2 4.04Å; A24-Y26 HydrophobicContact CB-CE2 3.52Å; A24-Y26 WeakPolarHBondContact O-CD2 3.36Å; A24-Y26 PolarHBondContact O-N 2.77Å |
| 25 | F | 60.1 | Low | 65.6 | Low | 205 Ų | 205 | 131.8 Ų | 131.8 | 90% | 0.899 | 72% | 0.722 | S | S | * | * | | | trans | -74.5 | 101.9 | 162.5 | -69.3 | -85 | 0 | 0 | 0 | 108.7 | L23 T27 | L23-F25 PolarHBondContact O-N 3.45Å; F25-T27 PolarHBondContact O-N 3.38Å |
| 26 | Y | 61.1 | Low | 67.2 | Low | 165 Ų | 165 | 125.3 Ų | 125.3 | 65% | 0.647 | 71% | 0.706 | S | S | * | * | | | trans | -82 | 106.5 | 175.4 | -70.6 | -85.1 | 0 | 0 | 0 | 110.3 | A24 | A24-Y26 HydrophobicContact CB-CD2 4.04Å; A24-Y26 HydrophobicContact CB-CE2 3.52Å; A24-Y26 WeakPolarHBondContact O-CD2 3.36Å; A24-Y26 PolarHBondContact O-N 2.77Å |
| 27 | T | 66.6 | Low | 68.7 | Low | 105 Ų | 105 | 129.5 Ų | 129.5 | 64% | 0.644 | 72% | 0.716 | S | S | * | * | | | trans | -79.8 | 135.2 | 159.7 | 53.2 | 0 | 0 | 0 | 0 | 108.1 | F25 C29 | F25-T27 PolarHBondContact O-N 3.38Å; T27-C29 PolarHBondContact O-N 3.21Å; T27-C29 PolarHBondContact OG1-O 3.17Å |
| 28 | S | 71.6 | Confident | 70.4 | Confident | 141 Ų | 141 | 127.6 Ų | 127.6 | 99% | 0.986 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -61.3 | -5.5 | 176.4 | 57 | 0 | 0 | 0 | 0 | 113.8 | | |
| 29 | C | 67.2 | Low | 72 | Confident | 64 Ų | 64 | 125.2 Ų | 125.2 | 43% | 0.432 | 70% | 0.698 | S | S | . | * | S | Bend | trans | -121.5 | 126.6 | 173.8 | -170.6 | 0 | 0 | 0 | 0 | 109.4 | T27 R31 | T27-C29 PolarHBondContact O-N 3.21Å; T27-C29 PolarHBondContact OG1-O 3.17Å; C29-R31 PolarHBondContact O-N 3.22Å |
| 30 | S | 69.8 | Low | 73.6 | Confident | 127 Ų | 127 | 120.1 Ų | 120.1 | 89% | 0.888 | 68% | 0.676 | S | S | * | * | | | trans | -73.8 | 2.2 | 178 | 50.5 | 0 | 0 | 0 | 0 | 113.9 | K32 | S30-K32 PolarHBondContact O-N 3.39Š|
| 31 | R | 77.1 | Confident | 75.1 | Confident | 202 Ų | 202 | 119.4 Ų | 119.4 | 76% | 0.762 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 118.7 | 176.7 | -68.5 | -175.4 | -168.1 | -173.1 | 4.1 | 109.5 | C29 T33 | C29-R31 PolarHBondContact O-N 3.22Å; R31-T33 PolarHBondContact O-N 2.91Å |
| 32 | K | 73.6 | Confident | 76.8 | Confident | 211 Ų | 211 | 121.1 Ų | 121.1 | 92% | 0.917 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 117.4 | 167.7 | -65.5 | 179.2 | 178.8 | 177.7 | 0 | 108.2 | S30 | S30-K32 PolarHBondContact O-N 3.39Š|
| 33 | T | 68.8 | Low | 78.2 | Confident | 128 Ų | 128 | 118.7 Ų | 118.7 | 79% | 0.785 | 65% | 0.652 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 118.6 | 171.4 | 48.2 | 0 | 0 | 0 | 0 | 108 | R31 | R31-T33 PolarHBondContact O-N 2.91Š|
| 34 | S | 80.7 | Confident | 79.6 | Confident | 120 Ų | 120 | 117.6 Ų | 117.6 | 84% | 0.839 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 129.7 | 169.9 | 57.6 | 0 | 0 | 0 | 0 | 109 | | |
| 35 | V | 85.1 | Confident | 80.9 | Confident | 106 Ų | 106 | 120.6 Ų | 120.6 | 64% | 0.642 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -99.5 | 150.2 | 171.6 | -64.1 | 0 | 0 | 0 | 0 | 110.1 | | |
| 36 | S | 92.8 | Very high | 82.2 | Confident | 59 Ų | 59 | 119.8 Ų | 119.8 | 41% | 0.413 | 64% | 0.636 | S | S | . | * | P | Polyproline II helix | trans | -69.7 | 150.6 | 172.3 | 84.1 | 0 | 0 | 0 | 0 | 110.5 | T38 S39 L40 | S36-T38 PolarHBondContact O-N 3.4Å; S36-S39 PolarHBondContact O-N 3.15Å; S36-S39 WeakPolarHBondContact OG-CB 3.36Å; S36-S39 PolarHBondContact OG-N 2.97Å; S36-S39 PolarHBondContact OG-OG 3.08Å; S36-L40 PolarHBondContact O-N 3.16Å; S36-L40 VanDerWaalsContact O-N 3.16Å |
| 37 | Q | 93.3 | Very high | 83.3 | Confident | 175 Ų | 175 | 117.6 Ų | 117.6 | 82% | 0.818 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -60.7 | -34.3 | 174.6 | -70.8 | -176.4 | -21.4 | 0 | 0 | 111.8 | L40 L41 | Q37-L40 PolarHBondContact O-N 3.34Å; Q37-L41 PolarHBondContact O-N 2.87Å |
| 38 | T | 95.6 | Very high | 84.1 | Confident | 91 Ų | 91 | 122 Ų | 122 | 56% | 0.558 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -63.8 | -49.7 | 178.4 | -48.3 | 0 | 0 | 0 | 0 | 111.5 | S36 L40 L41 E42 | S36-T38 PolarHBondContact O-N 3.4Å; T38-L40 VanDerWaalsContact C-N 3.27Å; T38-L40 PolarHBondContact O-N 3.34Å; T38-L41 WeakPolarHBondContact O-CB 3.49Å; T38-L41 PolarHBondContact O-N 3.03Å; T38-L41 VanDerWaalsContact O-N 3.08Å; T38-E42 PolarHBondContact O-N 3.27Å |
| 39 | S | 93.6 | Very high | 84.1 | Confident | 66 Ų | 66 | 120.4 Ų | 120.4 | 46% | 0.462 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -61.5 | -37.7 | 177.9 | -53.9 | 0 | 0 | 0 | 0 | 111.7 | S36 A43 | S36-S39 PolarHBondContact O-N 3.15Å; S36-S39 WeakPolarHBondContact OG-CB 3.36Å; S36-S39 PolarHBondContact OG-N 2.97Å; S36-S39 PolarHBondContact OG-OG 3.08Å; S39-A43 WeakPolarHBondContact O-CB 3.23Å; S39-A43 PolarHBondContact O-N 3.19Å |
| 40 | L | 90.6 | Very high | 83.9 | Confident | 83 Ų | 83 | 119.5 Ų | 119.5 | 44% | 0.435 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -64.5 | -40.3 | 174.7 | 179.4 | 63.1 | 0 | 0 | 0 | 112.1 | S36 Q37 T38 K44 | S36-L40 PolarHBondContact O-N 3.16Å; S36-L40 VanDerWaalsContact O-N 3.16Å; Q37-L40 PolarHBondContact O-N 3.34Å; T38-L40 VanDerWaalsContact C-N 3.27Å; T38-L40 PolarHBondContact O-N 3.34Å; L40-K44 WeakPolarHBondContact O-CG 3.37Å; L40-K44 PolarHBondContact O-N 3.39Å; L40-K44 VanDerWaalsContact O-N 3.15Å |
| 41 | L | 91.7 | Very high | 83.3 | Confident | 99 Ų | 99 | 118.6 Ų | 118.6 | 52% | 0.518 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -67.4 | -43 | 179 | -178.6 | 63.6 | 0 | 0 | 0 | 111.7 | Q37 T38 K44 K45 | Q37-L41 PolarHBondContact O-N 2.87Å; T38-L41 WeakPolarHBondContact O-CB 3.49Å; T38-L41 PolarHBondContact O-N 3.03Å; T38-L41 VanDerWaalsContact O-N 3.08Å; L41-K44 WeakPolarHBondContact O-CB 3.4Å; L41-K44 PolarHBondContact O-N 3.47Å; L41-K45 PolarHBondContact O-N 3.18Å |
| 42 | E | 92.4 | Very high | 82.3 | Confident | 107 Ų | 107 | 117.4 Ų | 117.4 | 50% | 0.5 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -62.1 | -48.6 | 176 | -71.7 | -177.7 | 166.5 | 0 | 0 | 111.1 | T38 K44 K45 W46 | T38-E42 PolarHBondContact O-N 3.27Å; E42-K44 PolarHBondContact O-N 3.05Å; E42-K45 WeakPolarHBondContact O-CA 3.5Å; E42-K45 WeakPolarHBondContact O-CB 3.46Å; E42-K45 PolarHBondContact O-N 2.97Å; E42-W46 PolarHBondContact O-N 3.5Å |
| 43 | A | 89.4 | Confident | 81.6 | Confident | 48 Ų | 48 | 114 Ų | 114 | 40% | 0.397 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -55.8 | -37.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | S39 K45 W46 L47 | S39-A43 WeakPolarHBondContact O-CB 3.23Å; S39-A43 PolarHBondContact O-N 3.19Å; A43-K45 VanDerWaalsContact C-N 3.33Å; A43-K45 PolarHBondContact O-N 3.31Å; A43-W46 PolarHBondContact O-N 3.07Å; A43-L47 WeakPolarHBondContact O-CG 3.43Å; A43-L47 PolarHBondContact O-N 3.48Å |
| 44 | K | 88.6 | Confident | 81.1 | Confident | 116 Ų | 116 | 111 Ų | 111 | 50% | 0.504 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -65.3 | -32.7 | 174.4 | -76.3 | 176.2 | 178 | -179.9 | 0 | 113.3 | L40 L41 E42 R48 | L40-K44 WeakPolarHBondContact O-CG 3.37Å; L40-K44 PolarHBondContact O-N 3.39Å; L40-K44 VanDerWaalsContact O-N 3.15Å; L41-K44 WeakPolarHBondContact O-CB 3.4Å; L41-K44 PolarHBondContact O-N 3.47Å; E42-K44 PolarHBondContact O-N 3.05Å; K44-R48 WeakPolarHBondContact O-CG 3.34Å; K44-R48 PolarHBondContact O-N 2.89Å |
| 45 | K | 89.5 | Confident | 79.9 | Confident | 115 Ų | 115 | 110.1 Ų | 110.1 | 50% | 0.5 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -69.8 | -49 | 175.2 | -69 | 178.5 | 176.3 | -176.4 | 0 | 110.7 | L41 E42 A43 L47 R48 E49 | L41-K45 PolarHBondContact O-N 3.18Å; E42-K45 WeakPolarHBondContact O-CA 3.5Å; E42-K45 WeakPolarHBondContact O-CB 3.46Å; E42-K45 PolarHBondContact O-N 2.97Å; A43-K45 VanDerWaalsContact C-N 3.33Å; A43-K45 PolarHBondContact O-N 3.31Å; K45-L47 VanDerWaalsContact C-N 3.29Å; K45-L47 PolarHBondContact O-N 3.31Å; K45-R48 WeakPolarHBondContact O-CA 3.45Å; K45-R48 WeakPolarHBondContact O-CB 3.37Å; K45-R48 PolarHBondContact O-N 2.84Å; K45-E49 WeakPolarHBondContact O-CG 3.48Å; K45-E49 PolarHBondContact O-N 3.26Å |
| 46 | W | 88.1 | Confident | 78.4 | Confident | 188 Ų | 188 | 110.4 Ų | 110.4 | 71% | 0.712 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -54.7 | -42.4 | 176 | -75 | 102.4 | 0 | 0 | 0 | 113 | E42 A43 E49 G50 | E42-W46 PolarHBondContact O-N 3.5Å; A43-W46 PolarHBondContact O-N 3.07Å; W46-E49 PolarHBondContact O-N 2.86Å; W46-G50 PolarHBondContact O-N 2.68Å |
| 47 | L | 83.1 | Confident | 76.5 | Confident | 118 Ų | 118 | 116.1 Ų | 116.1 | 62% | 0.618 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -65.2 | -37.4 | 175.6 | -73.2 | 172.3 | 0 | 0 | 0 | 112.5 | A43 K45 I51 | A43-L47 WeakPolarHBondContact O-CG 3.43Å; A43-L47 PolarHBondContact O-N 3.48Å; K45-L47 VanDerWaalsContact C-N 3.29Å; K45-L47 PolarHBondContact O-N 3.31Å; L47-I51 WeakPolarHBondContact O-CB 3.06Å; L47-I51 VanDerWaalsContact O-CD1 3.23Å; L47-I51 WeakPolarHBondContact O-CD1 3.48Å; L47-I51 WeakPolarHBondContact O-CG1 3.49Å; L47-I51 PolarHBondContact O-N 2.82Å; L47-I51 VanDerWaalsContact O-N 3.11Å |
| 48 | R | 82.8 | Confident | 74.7 | Confident | 197 Ų | 197 | 116.7 Ų | 116.7 | 74% | 0.743 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -71.7 | -37.1 | 178.2 | -75.7 | 176.3 | -179.8 | -81.4 | -0.1 | 112.3 | K44 K45 | K44-R48 WeakPolarHBondContact O-CG 3.34Å; K44-R48 PolarHBondContact O-N 2.89Å; K45-R48 WeakPolarHBondContact O-CA 3.45Å; K45-R48 WeakPolarHBondContact O-CB 3.37Å; K45-R48 PolarHBondContact O-N 2.84Å |
| 49 | E | 72.7 | Confident | 72.7 | Confident | 108 Ų | 108 | 119.8 Ų | 119.8 | 51% | 0.505 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -67.4 | -51.7 | 175.8 | -71.1 | 165.1 | -161.8 | 0 | 0 | 110 | K45 W46 I51 F52 D53 | K45-E49 WeakPolarHBondContact O-CG 3.48Å; K45-E49 PolarHBondContact O-N 3.26Å; W46-E49 PolarHBondContact O-N 2.86Å; E49-I51 VanDerWaalsContact C-N 3.34Å; E49-I51 PolarHBondContact O-N 3.19Å; E49-F52 PolarHBondContact O-N 3.29Å; E49-D53 PolarHBondContact O-N 3.11Å |
| 50 | G | 61.8 | Low | 70.8 | Confident | 46 Ų | 46 | 122.3 Ų | 122.3 | 47% | 0.474 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -69.1 | -21.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | W46 F52 | W46-G50 PolarHBondContact O-N 2.68Å; G50-F52 VanDerWaalsContact C-N 3.28Å |
| 51 | I | 58.8 | Low | 68.9 | Low | 108 Ų | 108 | 125 Ų | 125 | 55% | 0.554 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -70.4 | -27.4 | 172.2 | -75.3 | 167.5 | 0 | 0 | 0 | 111.2 | L47 E49 | L47-I51 WeakPolarHBondContact O-CB 3.06Å; L47-I51 VanDerWaalsContact O-CD1 3.23Å; L47-I51 WeakPolarHBondContact O-CD1 3.48Å; L47-I51 WeakPolarHBondContact O-CG1 3.49Å; L47-I51 PolarHBondContact O-N 2.82Å; L47-I51 VanDerWaalsContact O-N 3.11Å; E49-I51 VanDerWaalsContact C-N 3.34Å; E49-I51 PolarHBondContact O-N 3.19Å |
| 52 | F | 55.7 | Low | 67 | Low | 176 Ų | 176 | 123.9 Ų | 123.9 | 77% | 0.772 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -83.4 | -34.2 | -178.3 | -128.8 | -93.7 | 0 | 0 | 0 | 112.4 | E49 G50 G54 | E49-F52 PolarHBondContact O-N 3.29Å; G50-F52 VanDerWaalsContact C-N 3.28Å; F52-G54 VanDerWaalsContact C-N 3.32Å; F52-G54 PolarHBondContact O-N 3.06Å |
| 53 | D | 58.2 | Low | 65 | Low | 140 Ų | 140 | 125.7 Ų | 125.7 | 75% | 0.749 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -78.9 | -15.8 | -174.4 | -52.9 | -25.3 | 0 | 0 | 0 | 113.5 | E49 | E49-D53 PolarHBondContact O-N 3.11Å |
| 54 | G | 59.5 | Low | 63.1 | Low | 65 Ų | 65 | 132 Ų | 132 | 67% | 0.67 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -114.4 | -4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | F52 | F52-G54 VanDerWaalsContact C-N 3.32Å; F52-G54 PolarHBondContact O-N 3.06Å |
| 55 | Q | 54.1 | Low | 61.3 | Low | 102 Ų | 102 | 133 Ų | 133 | 48% | 0.477 | 68% | 0.68 | S | S | . | * | S | Bend | trans | -89.8 | 121.2 | 171 | -104.3 | -142.3 | -101.1 | 0 | 0 | 109.2 | E57 | Q55-E57 PolarHBondContact O-N 2.91Å; Q55-E57 VanDerWaalsContact O-N 3.15Å |
| 56 | P | 54.4 | Low | 59.3 | Low | 112 Ų | 112 | 130.5 Ų | 130.5 | 73% | 0.727 | 69% | 0.686 | S | S | * | * | | | trans | -57.7 | 125.7 | 151.9 | 26.9 | -28.9 | 0 | 0 | 0 | 105.7 | R58 | P56-R58 PolarHBondContact O-N 2.9Š|
| 57 | E | 53 | Low | 57.3 | Low | 178 Ų | 178 | 128.7 Ų | 128.7 | 83% | 0.832 | 69% | 0.69 | S | S | * | * | | | trans | -21.8 | 118.4 | 171.4 | -168.3 | 172 | -161.4 | 0 | 0 | 110.1 | Q55 I59 | Q55-E57 PolarHBondContact O-N 2.91Å; Q55-E57 VanDerWaalsContact O-N 3.15Å; E57-I59 VanDerWaalsContact C-N 3.28Å; E57-I59 PolarHBondContact O-N 3.48Å |
| 58 | R | 54.4 | Low | 55.6 | Low | 188 Ų | 188 | 132.6 Ų | 132.6 | 71% | 0.709 | 70% | 0.698 | S | S | * | * | | | trans | -50.6 | 100.1 | 176.9 | -75.6 | 173.8 | 62.6 | -155.7 | -1.3 | 107 | P56 N60 | P56-R58 PolarHBondContact O-N 2.9Å; R58-N60 VanDerWaalsContact C-N 3.3Å; R58-N60 PolarHBondContact O-N 2.95Å |
| 59 | I | 53.5 | Low | 54.1 | Low | 156 Ų | 156 | 128.8 Ų | 128.8 | 80% | 0.8 | 69% | 0.692 | S | S | * | * | | | trans | -55.2 | 103.9 | 167 | 5.1 | 172.2 | 0 | 0 | 0 | 104.4 | E57 T61 | E57-I59 VanDerWaalsContact C-N 3.28Å; E57-I59 PolarHBondContact O-N 3.48Å; I59-T61 PolarHBondContact O-N 3.27Å; I59-T61 PolarHBondContact O-OG1 3.04Å |
| 60 | N | 55.1 | Low | 52.5 | Low | 118 Ų | 118 | 133.7 Ų | 133.7 | 63% | 0.631 | 71% | 0.708 | S | S | * | * | | | trans | -53.8 | 107.5 | 173.8 | -94.2 | -31.1 | 0 | 0 | 0 | 105.9 | R58 A62 D63 | R58-N60 VanDerWaalsContact C-N 3.3Å; R58-N60 PolarHBondContact O-N 2.95Å; N60-A62 PolarHBondContact O-N 3.3Å; N60-D63 PolarHBondContact O-N 3.15Å |
| 61 | T | 50.2 | Low | 51.8 | Low | 139 Ų | 139 | 140.2 Ų | 140.2 | 85% | 0.853 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.8 | 20.5 | -179.9 | -35.9 | 0 | 0 | 0 | 0 | 111.3 | I59 | I59-T61 PolarHBondContact O-N 3.27Å; I59-T61 PolarHBondContact O-OG1 3.04Å |
| 62 | A | 52.7 | Low | 51 | Low | 77 Ų | 77 | 142 Ų | 142 | 64% | 0.636 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.3 | -16.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | N60 | N60-A62 PolarHBondContact O-N 3.3Š|
| 63 | D | 48.7 | Very low | 50.2 | Low | 144 Ų | 144 | 140.2 Ų | 140.2 | 77% | 0.77 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -97.2 | 5.5 | -176.7 | -67.5 | -18.4 | 0 | 0 | 0 | 113.8 | N60 V65 | N60-D63 PolarHBondContact O-N 3.15Å; D63-V65 VanDerWaalsContact C-N 3.25Å; D63-V65 PolarHBondContact O-N 3.43Å |
| 64 | Y | 50.7 | Low | 50.1 | Low | 182 Ų | 182 | 138.9 Ų | 138.9 | 71% | 0.714 | 74% | 0.736 | S | S | * | * | | | trans | -91.2 | 36.1 | 174.7 | -154.6 | -97 | 0 | 0 | 0 | 112.8 | | |
| 65 | V | 50.7 | Low | 49.6 | Very low | 137 Ų | 137 | 142.6 Ų | 142.6 | 83% | 0.83 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -132 | 96.7 | 167.4 | -177.4 | 0 | 0 | 0 | 0 | 108.4 | D63 | D63-V65 VanDerWaalsContact C-N 3.25Å; D63-V65 PolarHBondContact O-N 3.43Å |
| 66 | G | 48 | Very low | 49.4 | Very low | 61 Ų | 61 | 148.3 Ų | 148.3 | 63% | 0.629 | 76% | 0.76 | S | S | * | * | S | Bend | trans | 100.3 | 54.6 | 151.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 67 | N | 44.6 | Very low | 49 | Very low | 150 Ų | 150 | 154.3 Ų | 154.3 | 80% | 0.802 | 77% | 0.769 | S | S | * | * | | | trans | -135.5 | 43 | 150.9 | -128.6 | 24.8 | 0 | 0 | 0 | 113.3 | L69 | N67-L69 PolarHBondContact O-N 3.39Š|
| 68 | Y | 48.2 | Very low | 48.6 | Very low | 200 Ų | 200 | 155.2 Ų | 155.2 | 78% | 0.784 | 80% | 0.795 | S | S | * | * | | | trans | -80.1 | 30.3 | 156.7 | -86.9 | -78.1 | 0 | 0 | 0 | 111.7 | | |
| 69 | L | 50.7 | Low | 48.3 | Very low | 118 Ų | 118 | 153.6 Ų | 153.6 | 62% | 0.618 | 80% | 0.8 | S | S | * | * | | | trans | -121.9 | 115.8 | -179.4 | -71.4 | 178.7 | 0 | 0 | 0 | 110.2 | N67 | N67-L69 PolarHBondContact O-N 3.39Š|
| 70 | Y | 39.6 | Very low | 48 | Very low | 211 Ų | 211 | 153.5 Ų | 153.5 | 83% | 0.827 | 80% | 0.8 | S | S | * | * | | | trans | 90.8 | 92.1 | 165.5 | -58.2 | -77 | 0 | 0 | 0 | 117.8 | N72 | Y70-N72 PolarHBondContact O-N 3.38Š|
| 71 | E | 47.5 | Very low | 47.6 | Very low | 183 Ų | 183 | 155.4 Ų | 155.4 | 86% | 0.855 | 81% | 0.809 | S | S | * | * | | | | -33.5 | 121.7 | 128.7 | -61.7 | -178.7 | 149.7 | 0 | 0 | 110.8 | | |
| 72 | N | 40.8 | Very low | 47.5 | Very low | 144 Ų | 144 | 156.4 Ų | 156.4 | 77% | 0.77 | 81% | 0.807 | S | S | * | * | | | | 165.6 | 106.3 | 128.8 | -115.2 | -15.7 | 0 | 0 | 0 | 110.5 | Y70 | Y70-N72 PolarHBondContact O-N 3.38Š|
| 73 | N | 40.3 | Very low | 47.1 | Very low | 140 Ų | 140 | 161.4 Ų | 161.4 | 75% | 0.749 | 82% | 0.817 | S | S | * | * | | | | 166.5 | 89.6 | 110.5 | -88.6 | -9.9 | 0 | 0 | 0 | 108.5 | N75 | N73-N75 PolarHBondContact O-N 3.16Å; N73-N75 VanDerWaalsContact O-N 3.16Å |
| 74 | S | 55.3 | Low | 47 | Very low | 111 Ų | 111 | 162.5 Ų | 162.5 | 78% | 0.776 | 82% | 0.82 | S | S | * | * | | | trans | -49.6 | 115.1 | 143.7 | -52.8 | 0 | 0 | 0 | 0 | 107.4 | | |
| 75 | N | 50 | Low | 46.8 | Very low | 143 Ų | 143 | 161.1 Ų | 161.1 | 77% | 0.765 | 83% | 0.828 | S | S | * | * | | | trans | 162.1 | 110.6 | 146.8 | -81.9 | -31.3 | 0 | 0 | 0 | 108.4 | N73 | N73-N75 PolarHBondContact O-N 3.16Å; N73-N75 VanDerWaalsContact O-N 3.16Å |
| 76 | Y | 49.2 | Very low | 46.5 | Very low | 223 Ų | 223 | 163 Ų | 163 | 88% | 0.875 | 83% | 0.828 | S | S | * | * | | | | -177.1 | 79 | 129.2 | -91.6 | -67.2 | 0 | 0 | 0 | 108.1 | | |
| 77 | Y | 45.9 | Very low | 46.3 | Very low | 238 Ų | 238 | 171.5 Ų | 171.5 | 93% | 0.933 | 84% | 0.844 | S | S | * | * | | | trans | -131.3 | 102.4 | 148 | -77.6 | -71.7 | 0 | 0 | 0 | 107.2 | | |
| 78 | S | 43.9 | Very low | 46.5 | Very low | 197 Ų | 197 | 173.5 Ų | 173.5 | 100% | 1.378 | 85% | 0.848 | S | S | * | * | | | trans | -155.4 | 0 | 157.9 | -58 | 0 | 0 | 0 | 0 | 107 | | |