| 1 | M | 50.8 | Low | 49.4 | Very low | 243 Ų | 243 | 174.6 Ų | 174.6 | 100% | 1.197 | 87% | 0.871 | S | S | * | * | | | | 0 | 112.3 | 0 | -77.8 | 173.3 | 173.6 | 0 | 0 | 106.3 | | |
| 2 | E | 44.5 | Very low | 49.8 | Very low | 188 Ų | 188 | 175.9 Ų | 175.9 | 88% | 0.879 | 88% | 0.876 | S | S | * | * | | | trans | -67.7 | 135.2 | 175.6 | -70.2 | 170.2 | 136.6 | 0 | 0 | 109.5 | | |
| 3 | M | 49.8 | Very low | 50.2 | Low | 193 Ų | 193 | 168.2 Ų | 168.2 | 95% | 0.951 | 85% | 0.849 | S | S | * | * | | | trans | -109.8 | 87.8 | 165.4 | -66.6 | -149.5 | -67.8 | 0 | 0 | 107.9 | | |
| 4 | S | 43.6 | Very low | 50.9 | Low | 100 Ų | 100 | 162.6 Ų | 162.6 | 70% | 0.699 | 84% | 0.842 | S | S | * | * | | | trans | -92.7 | 106.6 | 165.7 | -59.4 | 0 | 0 | 0 | 0 | 108.4 | | |
| 5 | Q | 50.1 | Low | 51.3 | Low | 196 Ų | 196 | 157 Ų | 157 | 92% | 0.916 | 82% | 0.822 | S | S | * | * | | | trans | -178.2 | 89.4 | 153.3 | -105.3 | 172.9 | 57.3 | 0 | 0 | 108.9 | | |
| 6 | E | 51.1 | Low | 51.8 | Low | 200 Ų | 200 | 157.4 Ų | 157.4 | 94% | 0.935 | 82% | 0.819 | S | S | * | * | | | trans | -127.7 | 80.6 | 153.7 | -160 | 169.4 | 171.3 | 0 | 0 | 107.7 | | |
| 7 | K | 48.5 | Very low | 51.9 | Low | 209 Ų | 209 | 159.1 Ų | 159.1 | 91% | 0.909 | 81% | 0.813 | S | S | * | * | | | trans | -103 | 114.4 | 154 | -101.3 | -170.6 | 175.6 | -174.6 | 0 | 106.1 | | |
| 8 | A | 49.4 | Very low | 52.4 | Low | 81 Ų | 81 | 158.6 Ų | 158.6 | 67% | 0.669 | 81% | 0.813 | S | S | * | * | | | trans | -162.7 | 119.7 | 151.5 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 9 | K | 51.2 | Low | 52.7 | Low | 196 Ų | 196 | 161.9 Ų | 161.9 | 85% | 0.852 | 81% | 0.814 | S | S | * | * | | | trans | 81.7 | 85.5 | 148.2 | -58.7 | 170.2 | -176.5 | -174.6 | 0 | 115.1 | | |
| 10 | D | 50.9 | Low | 52.9 | Low | 146 Ų | 146 | 160.6 Ų | 160.6 | 78% | 0.781 | 81% | 0.807 | S | S | * | * | | | | 43.3 | 100.2 | 91 | -87.5 | -21.3 | 0 | 0 | 0 | 113.2 | M12 | D10-M12 PolarHBondContact O-N 3.47Š|
| 11 | E | 53.4 | Low | 53.2 | Low | 169 Ų | 169 | 161.2 Ų | 161.2 | 79% | 0.79 | 81% | 0.807 | S | S | * | * | | | | 44.6 | 77.2 | 126 | -61.6 | -170 | 153.5 | 0 | 0 | 116.6 | | |
| 12 | M | 54.6 | Low | 53.6 | Low | 190 Ų | 190 | 155.3 Ų | 155.3 | 94% | 0.936 | 79% | 0.785 | S | S | * | * | | | trans | -102.2 | 74.5 | 137.5 | -144.7 | 159.5 | 175.5 | 0 | 0 | 105.9 | D10 A14 | D10-M12 PolarHBondContact O-N 3.47Å; M12-A14 PolarHBondContact O-N 3.4Å |
| 13 | S | 54.3 | Low | 54.2 | Low | 75 Ų | 75 | 152 Ų | 152 | 52% | 0.524 | 78% | 0.781 | S | S | . | * | | | trans | -60.6 | 125.9 | 177 | 45.2 | 0 | 0 | 0 | 0 | 108.3 | S15 | S13-S15 PolarHBondContact O-N 3.37Å; S13-S15 PolarHBondContact OG-OG 3.31Å |
| 14 | A | 59.9 | Low | 54.6 | Low | 91 Ų | 91 | 147.5 Ų | 147.5 | 75% | 0.752 | 77% | 0.769 | S | S | * | * | G | 310 helix | trans | -63.1 | 15.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | M12 E16 | M12-A14 PolarHBondContact O-N 3.4Å; A14-E16 VanDerWaalsContact C-N 3.26Å; A14-E16 PolarHBondContact O-N 3.37Å |
| 15 | S | 57.3 | Low | 54.9 | Low | 78 Ų | 78 | 149.5 Ų | 149.5 | 55% | 0.545 | 77% | 0.771 | S | S | . | * | G | 310 helix | trans | -74.9 | -9.6 | -176.8 | 56 | 0 | 0 | 0 | 0 | 114.1 | S13 Y17 D18 | S13-S15 PolarHBondContact O-N 3.37Å; S13-S15 PolarHBondContact OG-OG 3.31Å; S15-Y17 VanDerWaalsContact C-N 3.33Å; S15-D18 PolarHBondContact O-N 3.28Å |
| 16 | E | 59 | Low | 55.4 | Low | 163 Ų | 163 | 149.1 Ų | 149.1 | 76% | 0.762 | 77% | 0.766 | S | S | * | * | G | 310 helix | trans | -72.8 | -27.6 | -178.2 | -143 | 170.3 | -164.8 | 0 | 0 | 112.5 | A14 D18 | A14-E16 VanDerWaalsContact C-N 3.26Å; A14-E16 PolarHBondContact O-N 3.37Å; E16-D18 VanDerWaalsContact C-N 3.32Å; E16-D18 PolarHBondContact O-N 3.33Å |
| 17 | Y | 53.8 | Low | 55.6 | Low | 186 Ų | 186 | 148.6 Ų | 148.6 | 73% | 0.729 | 76% | 0.755 | S | S | * | * | G | 310 helix | trans | -75.9 | -16.8 | 176.1 | -73.3 | -80 | 0 | 0 | 0 | 114 | S15 R19 M20 | S15-Y17 VanDerWaalsContact C-N 3.33Å; Y17-R19 PolarHBondContact O-N 2.76Å; Y17-M20 HydrophobicContact CD1-CE 3.96Å |
| 18 | D | 60.4 | Low | 55.9 | Low | 151 Ų | 151 | 144.1 Ų | 144.1 | 81% | 0.807 | 75% | 0.746 | S | S | * | * | G | 310 helix | trans | -77.4 | -13.4 | -179.4 | -149.4 | 32.5 | 0 | 0 | 0 | 112.2 | S15 E16 | S15-D18 PolarHBondContact O-N 3.28Å; E16-D18 VanDerWaalsContact C-N 3.32Å; E16-D18 PolarHBondContact O-N 3.33Å |
| 19 | R | 58 | Low | 56 | Low | 221 Ų | 221 | 146.6 Ų | 146.6 | 83% | 0.834 | 75% | 0.745 | S | S | * | * | G | 310 helix | trans | -97 | 14.8 | 179.5 | -90.4 | -172.4 | 173.4 | -179.2 | -1 | 114.7 | Y17 E21 | Y17-R19 PolarHBondContact O-N 2.76Å; R19-E21 PolarHBondContact O-N 3.17Å |
| 20 | M | 58.2 | Low | 56.3 | Low | 136 Ų | 136 | 141.9 Ų | 141.9 | 67% | 0.67 | 74% | 0.737 | S | S | * | * | | | trans | -65.7 | 82 | 161.5 | -105.2 | -178.4 | -72.9 | 0 | 0 | 108 | Y17 T22 | Y17-M20 HydrophobicContact CD1-CE 3.96Å; M20-T22 VanDerWaalsContact C-N 3.29Å; M20-T22 PolarHBondContact O-N 3.43Å |
| 21 | E | 58.1 | Low | 56.7 | Low | 173 Ų | 173 | 143.5 Ų | 143.5 | 81% | 0.808 | 74% | 0.74 | S | S | * | * | | | trans | -53.3 | 102.5 | 160.5 | -75.9 | -173.9 | 160.1 | 0 | 0 | 105.6 | R19 C23 | R19-E21 PolarHBondContact O-N 3.17Å; E21-C23 PolarHBondContact O-N 3.21Å |
| 22 | T | 60.4 | Low | 57.1 | Low | 120 Ų | 120 | 142.9 Ų | 142.9 | 74% | 0.736 | 74% | 0.737 | S | S | * | * | | | trans | -66.1 | 93.8 | 172.6 | 46.2 | 0 | 0 | 0 | 0 | 105.8 | M20 S24 | M20-T22 VanDerWaalsContact C-N 3.29Å; M20-T22 PolarHBondContact O-N 3.43Å; T22-S24 PolarHBondContact O-N 3.09Å |
| 23 | C | 56.7 | Low | 57.1 | Low | 118 Ų | 118 | 140.6 Ų | 140.6 | 80% | 0.797 | 72% | 0.722 | S | S | * | * | | | trans | -58.6 | 94.7 | 162.6 | -66.8 | 0 | 0 | 0 | 0 | 105.7 | E21 L25 | E21-C23 PolarHBondContact O-N 3.21Å; C23-L25 PolarHBondContact O-N 3.31Å |
| 24 | S | 58 | Low | 57.2 | Low | 99 Ų | 99 | 142.4 Ų | 142.4 | 69% | 0.692 | 73% | 0.732 | S | S | * | * | | | trans | -59.4 | 107.4 | 175.1 | -73.6 | 0 | 0 | 0 | 0 | 105.9 | T22 K26 | T22-S24 PolarHBondContact O-N 3.09Å; S24-K26 PolarHBondContact O-N 3.17Å |
| 25 | L | 49.6 | Very low | 57.3 | Low | 141 Ų | 141 | 145.9 Ų | 145.9 | 74% | 0.738 | 74% | 0.735 | S | S | * | * | | | trans | -64.7 | 84 | 178.3 | -168.5 | 83.2 | 0 | 0 | 0 | 107.6 | C23 R27 | C23-L25 PolarHBondContact O-N 3.31Å; L25-R27 HydrophobicContact CD2-CG 3.82Å; L25-R27 HydrophobicContact CG-CG 4.17Å; L25-R27 PolarHBondContact O-N 3.1Å |
| 26 | K | 61.2 | Low | 57.9 | Low | 189 Ų | 189 | 148.1 Ų | 148.1 | 82% | 0.822 | 74% | 0.74 | S | S | * | * | | | trans | -67.9 | 89.6 | 162.5 | -74.4 | -169 | 177.7 | -176.7 | 0 | 105.7 | S24 T28 | S24-K26 PolarHBondContact O-N 3.17Å; K26-T28 PolarHBondContact O-N 3Å |
| 27 | R | 55.2 | Low | 58.2 | Low | 188 Ų | 188 | 143.8 Ų | 143.8 | 71% | 0.709 | 73% | 0.727 | S | S | * | * | | | trans | -60.7 | 95.5 | 162.2 | -76 | -175.9 | 174.8 | 167.8 | -2.8 | 106.7 | L25 M29 | L25-R27 HydrophobicContact CD2-CG 3.82Å; L25-R27 HydrophobicContact CG-CG 4.17Å; L25-R27 PolarHBondContact O-N 3.1Å; R27-M29 HydrophobicContact CB-CG 4.3Å; R27-M29 PolarHBondContact O-N 3.43Å |
| 28 | T | 53.8 | Low | 58.9 | Low | 115 Ų | 115 | 139.2 Ų | 139.2 | 71% | 0.706 | 72% | 0.723 | S | S | * | * | | | trans | -71.6 | 83 | 163.3 | 40.9 | 0 | 0 | 0 | 0 | 107.2 | K26 S30 | K26-T28 PolarHBondContact O-N 3Å; T28-S30 PolarHBondContact O-N 3.47Å |
| 29 | M | 51.6 | Low | 59.2 | Low | 134 Ų | 134 | 140.5 Ų | 140.5 | 66% | 0.66 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.1 | 5.5 | 171.7 | -67.3 | -71.3 | -132.4 | 0 | 0 | 112.6 | R27 | R27-M29 HydrophobicContact CB-CG 4.3Å; R27-M29 PolarHBondContact O-N 3.43Å |
| 30 | S | 57.1 | Low | 59.3 | Low | 97 Ų | 97 | 135.5 Ų | 135.5 | 68% | 0.678 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.8 | -14.2 | -169.9 | -170.6 | 0 | 0 | 0 | 0 | 114.5 | T28 | T28-S30 PolarHBondContact O-N 3.47Š|
| 31 | E | 59.7 | Low | 59.4 | Low | 179 Ų | 179 | 136.2 Ų | 136.2 | 84% | 0.836 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.8 | -32 | -176.9 | -165.7 | 170.3 | -178.1 | 0 | 0 | 112.8 | | |
| 32 | E | 61.7 | Low | 59.2 | Low | 156 Ų | 156 | 133.2 Ų | 133.2 | 73% | 0.729 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | -22.1 | -177.8 | -164.6 | 169.8 | -163.2 | 0 | 0 | 113 | | |
| 33 | F | 54.3 | Low | 58.8 | Low | 142 Ų | 142 | 131.9 Ų | 131.9 | 62% | 0.623 | 70% | 0.701 | S | S | * | * | | | trans | -138.1 | 89.4 | -178.4 | -57.8 | -84.1 | 0 | 0 | 0 | 110.2 | M35 | F33-M35 PolarHBondContact O-N 3.35Š|
| 34 | P | 56.2 | Low | 58.6 | Low | 114 Ų | 114 | 132.3 Ų | 132.3 | 74% | 0.74 | 70% | 0.703 | S | S | * | * | | | trans | -59.4 | 107.2 | 161 | 26.1 | -31.3 | 0 | 0 | 0 | 107 | D36 | P34-D36 PolarHBondContact O-N 3.41Š|
| 35 | M | 63 | Low | 58 | Low | 163 Ų | 163 | 135 Ų | 135 | 80% | 0.803 | 71% | 0.705 | S | S | * | * | | | trans | -67.9 | 105.9 | 174.2 | -147.2 | -178 | -60.1 | 0 | 0 | 106.1 | F33 C37 | F33-M35 PolarHBondContact O-N 3.35Å; M35-C37 PolarHBondContact O-N 3.31Å |
| 36 | D | 70.2 | Confident | 58 | Low | 125 Ų | 125 | 132.7 Ų | 132.7 | 67% | 0.668 | 71% | 0.705 | S | S | * | * | | | trans | -70.9 | 97.5 | 177 | -171.7 | -2.3 | 0 | 0 | 0 | 108.4 | P34 S38 | P34-D36 PolarHBondContact O-N 3.41Å; D36-S38 PolarHBondContact O-N 3.3Å; D36-S38 WeakPolarHBondContact OD1-CB 3.41Å; D36-S38 PolarHBondContact OD1-N 3.12Å; D36-S38 PolarHBondContact OD1-OG 3.44Å; D36-S38 PolarHBondContact OD2-OG 3.45Å |
| 37 | C | 64.6 | Low | 57.2 | Low | 72 Ų | 72 | 131.6 Ų | 131.6 | 49% | 0.486 | 71% | 0.708 | S | S | . | * | G | 310 helix | trans | -83.8 | 11 | 178.4 | -62.1 | 0 | 0 | 0 | 0 | 112.5 | M35 E39 I40 | M35-C37 PolarHBondContact O-N 3.31Å; C37-E39 PolarHBondContact O-N 3.37Å; C37-I40 HydrophobicContact CB-CD1 4.13Å; C37-I40 PolarHBondContact O-N 3.45Å; C37-I40 VanDerWaalsContact O-N 3.11Å |
| 38 | S | 69.9 | Low | 56.8 | Low | 91 Ų | 91 | 128.6 Ų | 128.6 | 64% | 0.636 | 71% | 0.711 | S | S | * | * | G | 310 helix | trans | -62.6 | -25.4 | 178.8 | 60.2 | 0 | 0 | 0 | 0 | 113.2 | D36 | D36-S38 PolarHBondContact O-N 3.3Å; D36-S38 WeakPolarHBondContact OD1-CB 3.41Å; D36-S38 PolarHBondContact OD1-N 3.12Å; D36-S38 PolarHBondContact OD1-OG 3.44Å; D36-S38 PolarHBondContact OD2-OG 3.45Å |
| 39 | E | 65.6 | Low | 56.5 | Low | 178 Ų | 178 | 131.1 Ų | 131.1 | 83% | 0.832 | 72% | 0.719 | S | S | * | * | G | 310 helix | trans | -82.6 | -15 | 175.7 | -63.5 | -170.2 | 173.3 | 0 | 0 | 113.9 | C37 E41 | C37-E39 PolarHBondContact O-N 3.37Å; E39-E41 PolarHBondContact O-N 3.04Å |
| 40 | I | 60.9 | Low | 56.2 | Low | 115 Ų | 115 | 132.5 Ų | 132.5 | 59% | 0.59 | 72% | 0.724 | S | S | * | * | | | trans | -83 | 77.6 | 176.2 | -52.8 | 169.3 | 0 | 0 | 0 | 107 | C37 P42 | C37-I40 HydrophobicContact CB-CD1 4.13Å; C37-I40 PolarHBondContact O-N 3.45Å; C37-I40 VanDerWaalsContact O-N 3.11Å; I40-P42 VanDerWaalsContact O-CD 3.23Å; I40-P42 WeakPolarHBondContact O-CD 3.41Å; I40-P42 VanDerWaalsContact O-N 3.15Å |
| 41 | E | 60 | Low | 55.4 | Low | 152 Ų | 152 | 137 Ų | 137 | 71% | 0.71 | 73% | 0.734 | S | S | * | * | | | trans | -57.2 | 117 | 159.5 | -167.4 | 172.2 | -166.7 | 0 | 0 | 106.1 | E39 T43 | E39-E41 PolarHBondContact O-N 3.04Å; E41-T43 PolarHBondContact O-N 3.22Å |
| 42 | P | 53.4 | Low | 54.1 | Low | 109 Ų | 109 | 132.7 Ų | 132.7 | 71% | 0.708 | 74% | 0.737 | S | S | * | * | | | trans | -70.4 | 90.3 | 173.1 | 28.9 | -29.9 | 0 | 0 | 0 | 105 | I40 P44 | I40-P42 VanDerWaalsContact O-CD 3.23Å; I40-P42 WeakPolarHBondContact O-CD 3.41Å; I40-P42 VanDerWaalsContact O-N 3.15Å; P42-P44 WeakPolarHBondContact O-CD 3.45Å |
| 43 | T | 52.6 | Low | 53.1 | Low | 92 Ų | 92 | 130.8 Ų | 130.8 | 56% | 0.564 | 74% | 0.741 | S | S | * | * | | | trans | -73.9 | 103.1 | 159.5 | 18.2 | 0 | 0 | 0 | 0 | 105.4 | E41 E45 | E41-T43 PolarHBondContact O-N 3.22Å; T43-E45 PolarHBondContact O-N 2.97Å |
| 44 | P | 51.9 | Low | 52.5 | Low | 128 Ų | 128 | 129.8 Ų | 129.8 | 83% | 0.831 | 75% | 0.752 | S | S | * | * | | | trans | -71.9 | 65.9 | 163.3 | 34.2 | -37.3 | 0 | 0 | 0 | 107.3 | P42 A46 | P42-P44 WeakPolarHBondContact O-CD 3.45Å; P44-A46 PolarHBondContact O-N 3.46Å |
| 45 | E | 46.2 | Very low | 51.7 | Low | 156 Ų | 156 | 127.6 Ų | 127.6 | 73% | 0.729 | 75% | 0.75 | S | S | * | * | | | trans | -65.8 | 118 | 164.7 | -80.2 | -173.5 | -175.4 | 0 | 0 | 106.3 | T43 L47 | T43-E45 PolarHBondContact O-N 2.97Å; E45-L47 PolarHBondContact O-N 2.92Å |
| 46 | A | 49.5 | Very low | 50.7 | Low | 91 Ų | 91 | 127.6 Ų | 127.6 | 75% | 0.752 | 75% | 0.75 | S | S | * | * | | | trans | -56.1 | 103.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | P44 T48 | P44-A46 PolarHBondContact O-N 3.46Å; A46-T48 VanDerWaalsContact C-N 3.3Å; A46-T48 PolarHBondContact O-N 3.5Å |
| 47 | L | 44.7 | Very low | 49.3 | Very low | 167 Ų | 167 | 126.6 Ų | 126.6 | 87% | 0.874 | 76% | 0.759 | S | S | * | * | | | trans | -53.6 | 96.5 | 175.8 | -74.2 | 163.7 | 0 | 0 | 0 | 108.3 | E45 L49 | E45-L47 PolarHBondContact O-N 2.92Å; L47-L49 PolarHBondContact O-N 3.41Å |
| 48 | T | 46.8 | Very low | 48.4 | Very low | 125 Ų | 125 | 131.5 Ų | 131.5 | 77% | 0.767 | 77% | 0.772 | S | S | * | * | | | trans | -60.4 | 111.7 | 161.5 | 45.3 | 0 | 0 | 0 | 0 | 105.5 | A46 E50 | A46-T48 VanDerWaalsContact C-N 3.3Å; A46-T48 PolarHBondContact O-N 3.5Å; T48-E50 PolarHBondContact O-N 2.7Å |
| 49 | L | 47.8 | Very low | 47.1 | Very low | 167 Ų | 167 | 136.4 Ų | 136.4 | 87% | 0.874 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -56.7 | 11.1 | -173.3 | -159.7 | 93.3 | 0 | 0 | 0 | 115.2 | L47 | L47-L49 PolarHBondContact O-N 3.41Š|
| 50 | E | 44.4 | Very low | 46 | Very low | 164 Ų | 164 | 133.1 Ų | 133.1 | 77% | 0.766 | 77% | 0.773 | S | S | * | * | | | trans | -107.6 | 59.2 | -170 | -67.3 | -70.9 | 147.3 | 0 | 0 | 110.4 | T48 | T48-E50 PolarHBondContact O-N 2.7Š|
| 51 | Q | 39.8 | Very low | 45 | Very low | 191 Ų | 191 | 136.3 Ų | 136.3 | 89% | 0.893 | 78% | 0.778 | S | S | * | * | | | trans | -172.1 | 99.6 | 150.9 | -107.2 | 165.4 | 13.8 | 0 | 0 | 109 | S53 | Q51-S53 PolarHBondContact O-N 2.86Š|
| 52 | G | 33.1 | Very low | 44.1 | Very low | 88 Ų | 88 | 134.3 Ų | 134.3 | 91% | 0.907 | 78% | 0.782 | S | S | * | * | | | trans | -64.3 | 131.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 53 | S | 41.3 | Very low | 43.6 | Very low | 116 Ų | 116 | 134.7 Ų | 134.7 | 81% | 0.811 | 78% | 0.782 | S | S | * | * | | | trans | -133.9 | 120.9 | 153.5 | -173.2 | 0 | 0 | 0 | 0 | 107.9 | Q51 G55 | Q51-S53 PolarHBondContact O-N 2.86Å; S53-G55 PolarHBondContact O-N 3.08Å |
| 54 | S | 40 | Very low | 43.3 | Very low | 122 Ų | 122 | 136 Ų | 136 | 85% | 0.853 | 79% | 0.792 | S | S | * | * | | | trans | -62 | 122.2 | 177.4 | 51.2 | 0 | 0 | 0 | 0 | 110.7 | | |
| 55 | G | 41 | Very low | 43 | Very low | 68 Ų | 68 | 140 Ų | 140 | 70% | 0.701 | 79% | 0.792 | S | S | * | * | S | Bend | trans | 166.9 | 69.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113 | S53 | S53-G55 PolarHBondContact O-N 3.08Š|
| 56 | M | 40.5 | Very low | 42.7 | Very low | 163 Ų | 163 | 141.6 Ų | 141.6 | 80% | 0.803 | 80% | 0.799 | S | S | * | * | | | trans | 47.3 | 94.7 | 166.8 | -59.5 | -138.1 | -101.6 | 0 | 0 | 114.6 | F58 | M56-F58 PolarHBondContact O-N 3.41Š|
| 57 | A | 42.4 | Very low | 42.4 | Very low | 103 Ų | 103 | 140.3 Ų | 140.3 | 85% | 0.851 | 79% | 0.789 | S | S | * | * | | | trans | -54 | 89.2 | 156 | 0 | 0 | 0 | 0 | 0 | 108.1 | R59 | A57-R59 PolarHBondContact O-N 3.46Š|
| 58 | F | 44.1 | Very low | 42.2 | Very low | 175 Ų | 175 | 142.1 Ų | 142.1 | 77% | 0.768 | 79% | 0.79 | S | S | * | * | | | trans | -55.7 | 108.8 | 167.3 | -105.6 | -97.9 | 0 | 0 | 0 | 104.3 | M56 C60 | M56-F58 PolarHBondContact O-N 3.41Å; F58-C60 PolarHBondContact O-N 3.15Å |
| 59 | R | 43.3 | Very low | 41.7 | Very low | 195 Ų | 195 | 144 Ų | 144 | 74% | 0.736 | 79% | 0.79 | S | S | * | * | | | trans | -64.1 | 84.2 | 166.1 | -65 | -171.5 | -178.7 | -158.3 | 0.1 | 105.2 | A57 Y61 | A57-R59 PolarHBondContact O-N 3.46Å; R59-Y61 HydrophobicContact CB-CD2 4.11Å; R59-Y61 HydrophobicContact CB-CE2 3.74Å; R59-Y61 WeakPolarHBondContact O-CD2 3.45Å; R59-Y61 PolarHBondContact O-N 3.06Å |
| 60 | C | 43.4 | Very low | 41.4 | Very low | 109 Ų | 109 | 141 Ų | 141 | 74% | 0.736 | 79% | 0.789 | S | S | * | * | | | trans | -63 | 88.6 | 165.8 | -72.9 | 0 | 0 | 0 | 0 | 105.4 | F58 S62 | F58-C60 PolarHBondContact O-N 3.15Å; C60-S62 PolarHBondContact O-N 2.82Å |
| 61 | Y | 38.8 | Very low | 41 | Very low | 181 Ų | 181 | 140.8 Ų | 140.8 | 71% | 0.71 | 79% | 0.788 | S | S | * | * | | | trans | -65.6 | 98.7 | 159.9 | -70.7 | -81.2 | 0 | 0 | 0 | 104.7 | R59 T63 | R59-Y61 HydrophobicContact CB-CD2 4.11Å; R59-Y61 HydrophobicContact CB-CE2 3.74Å; R59-Y61 WeakPolarHBondContact O-CD2 3.45Å; R59-Y61 PolarHBondContact O-N 3.06Å; Y61-T63 VanDerWaalsContact C-N 3.32Å; Y61-T63 PolarHBondContact O-N 3.38Å |
| 62 | S | 41.5 | Very low | 41 | Very low | 111 Ų | 111 | 134.7 Ų | 134.7 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | | | trans | -55 | 103.2 | 167.9 | -50.4 | 0 | 0 | 0 | 0 | 106.8 | C60 | C60-S62 PolarHBondContact O-N 2.82Š|
| 63 | T | 42.3 | Very low | 41 | Very low | 116 Ų | 116 | 137 Ų | 137 | 71% | 0.712 | 77% | 0.773 | S | S | * | * | | | trans | -59.3 | 124 | 162.1 | 41.8 | 0 | 0 | 0 | 0 | 105.9 | Y61 Y65 | Y61-T63 VanDerWaalsContact C-N 3.32Å; Y61-T63 PolarHBondContact O-N 3.38Å; T63-Y65 PolarHBondContact O-N 2.93Å |
| 64 | P | 45.9 | Very low | 40.6 | Very low | 121 Ų | 121 | 137.7 Ų | 137.7 | 79% | 0.786 | 77% | 0.773 | S | S | * | * | | | trans | -63 | 102.7 | -179.1 | 24.6 | -31.7 | 0 | 0 | 0 | 107.8 | E66 | P64-E66 PolarHBondContact O-N 2.81Š|
| 65 | Y | 45.8 | Very low | 40.4 | Very low | 211 Ų | 211 | 139.9 Ų | 139.9 | 83% | 0.827 | 77% | 0.774 | S | S | * | * | | | trans | -76.8 | 86.4 | 175.3 | -151.5 | -96.1 | 0 | 0 | 0 | 107.3 | T63 A67 | T63-Y65 PolarHBondContact O-N 2.93Å; Y65-A67 HydrophobicContact CD1-CB 4.32Å; Y65-A67 HydrophobicContact CE1-CB 4.09Å; Y65-A67 PolarHBondContact O-N 2.89Å; Y65-A67 VanDerWaalsContact O-N 3.13Å |
| 66 | E | 40 | Very low | 40.2 | Very low | 189 Ų | 189 | 141 Ų | 141 | 88% | 0.883 | 78% | 0.777 | S | S | * | * | | | trans | -65.1 | 97.8 | 158.4 | -77.3 | -169.7 | 156.9 | 0 | 0 | 108.2 | P64 | P64-E66 PolarHBondContact O-N 2.81Š|
| 67 | A | 42.9 | Very low | 40 | Very low | 65 Ų | 65 | 138.4 Ų | 138.4 | 54% | 0.537 | 78% | 0.775 | S | S | . | * | | | trans | -167.3 | 99.9 | 147.8 | 0 | 0 | 0 | 0 | 0 | 112 | Y65 | Y65-A67 HydrophobicContact CD1-CB 4.32Å; Y65-A67 HydrophobicContact CE1-CB 4.09Å; Y65-A67 PolarHBondContact O-N 2.89Å; Y65-A67 VanDerWaalsContact O-N 3.13Å |
| 68 | K | 40.9 | Very low | 39.9 | Very low | 205 Ų | 205 | 141.3 Ų | 141.3 | 89% | 0.891 | 77% | 0.774 | S | S | * | * | | | trans | 50.9 | 110.7 | 132.9 | -55.4 | -164.4 | 179.2 | -173.2 | 0 | 118 | A70 | K68-A70 PolarHBondContact O-N 3.07Š|
| 69 | Q | 37.4 | Very low | 39.7 | Very low | 165 Ų | 165 | 138.4 Ų | 138.4 | 77% | 0.771 | 77% | 0.77 | S | S | * | * | | | trans | 4.7 | 98.8 | 140.2 | -83.9 | -179.9 | -35.7 | 0 | 0 | 114.6 | E71 | Q69-E71 HydrophobicContact CB-CG 4.31Å; Q69-E71 PolarHBondContact O-N 2.73Å |
| 70 | A | 41.9 | Very low | 39.5 | Very low | 103 Ų | 103 | 132.4 Ų | 132.4 | 85% | 0.851 | 76% | 0.762 | S | S | * | * | | | trans | -79.6 | 88 | 146.2 | 0 | 0 | 0 | 0 | 0 | 106.3 | K68 | K68-A70 PolarHBondContact O-N 3.07Š|
| 71 | E | 35.9 | Very low | 39.6 | Very low | 159 Ų | 159 | 133.1 Ų | 133.1 | 74% | 0.743 | 77% | 0.766 | S | S | * | * | | | trans | -65.6 | 129.5 | 160.8 | -74.8 | -177.2 | 157.3 | 0 | 0 | 108.8 | Q69 | Q69-E71 HydrophobicContact CB-CG 4.31Å; Q69-E71 PolarHBondContact O-N 2.73Å |
| 72 | G | 38.9 | Very low | 39.6 | Very low | 63 Ų | 63 | 130.7 Ų | 130.7 | 65% | 0.649 | 77% | 0.77 | S | S | * | * | | | trans | 93.5 | 141.7 | 162.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 73 | T | 32.5 | Very low | 39.7 | Very low | 136 Ų | 136 | 133.3 Ų | 133.3 | 83% | 0.834 | 78% | 0.776 | S | S | * | * | | | cis | -165.2 | 151 | 4 | -40.6 | 0 | 0 | 0 | 0 | 107.3 | | |
| 74 | T | 33.1 | Very low | 39.8 | Very low | 132 Ų | 132 | 130.5 Ų | 130.5 | 81% | 0.81 | 77% | 0.769 | S | S | * | * | | | trans | 89.6 | 81.3 | 155.5 | -14.8 | 0 | 0 | 0 | 0 | 117.7 | | |
| 75 | L | 37.1 | Very low | 39.7 | Very low | 167 Ų | 167 | 134 Ų | 134 | 87% | 0.874 | 78% | 0.775 | S | S | * | * | | | trans | -56.5 | 148.1 | 149.9 | -142.9 | 139.7 | 0 | 0 | 0 | 110.4 | | |
| 76 | A | 35.9 | Very low | 39.7 | Very low | 92 Ų | 92 | 130.4 Ų | 130.4 | 76% | 0.76 | 78% | 0.775 | S | S | * | * | | | trans | 100.2 | 80.8 | 166.5 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 77 | S | 36.3 | Very low | 40.1 | Very low | 109 Ų | 109 | 125.6 Ų | 125.6 | 76% | 0.762 | 76% | 0.763 | S | S | * | * | | | | -160.8 | 78.8 | 120.4 | -162.9 | 0 | 0 | 0 | 0 | 108.9 | V79 | S77-V79 VanDerWaalsContact C-N 3.26Å; S77-V79 PolarHBondContact O-N 2.88Å |
| 78 | I | 41 | Very low | 40.3 | Very low | 163 Ų | 163 | 132 Ų | 132 | 84% | 0.836 | 78% | 0.778 | S | S | * | * | | | trans | -73.3 | 91.5 | 166.8 | -60.4 | 167.5 | 0 | 0 | 0 | 105.1 | A80 | I78-A80 VanDerWaalsContact C-N 3.35Å; I78-A80 PolarHBondContact O-N 2.96Å; I78-A80 VanDerWaalsContact O-N 3.12Å |
| 79 | V | 38.4 | Very low | 40.8 | Very low | 114 Ų | 114 | 130.3 Ų | 130.3 | 69% | 0.691 | 77% | 0.773 | S | S | * | * | | | trans | -69.6 | 103.6 | 160.2 | 177.7 | 0 | 0 | 0 | 0 | 104.7 | S77 | S77-V79 VanDerWaalsContact C-N 3.26Å; S77-V79 PolarHBondContact O-N 2.88Å |
| 80 | A | 40.7 | Very low | 41.2 | Very low | 69 Ų | 69 | 131.2 Ų | 131.2 | 57% | 0.57 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -55 | 125 | 171.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | I78 T82 | I78-A80 VanDerWaalsContact C-N 3.35Å; I78-A80 PolarHBondContact O-N 2.96Å; I78-A80 VanDerWaalsContact O-N 3.12Å; A80-T82 PolarHBondContact O-N 2.88Å |
| 81 | P | 44.9 | Very low | 41.8 | Very low | 124 Ų | 124 | 135.1 Ų | 135.1 | 81% | 0.805 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 117.1 | 175 | 22.2 | -29.7 | 0 | 0 | 0 | 107.3 | | |
| 82 | T | 39.3 | Very low | 42.4 | Very low | 131 Ų | 131 | 130.2 Ų | 130.2 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 136.8 | 176.2 | -29 | 0 | 0 | 0 | 0 | 107.1 | A80 G84 | A80-T82 PolarHBondContact O-N 2.88Å; T82-G84 PolarHBondContact O-N 2.91Å |
| 83 | D | 43.5 | Very low | 42.7 | Very low | 166 Ų | 166 | 134.2 Ų | 134.2 | 89% | 0.888 | 78% | 0.782 | S | S | * | * | | | trans | -56.4 | 75 | 176.6 | -69.7 | -49.6 | 0 | 0 | 0 | 111.2 | E85 | D83-E85 PolarHBondContact O-N 2.73Š|
| 84 | G | 44.2 | Very low | 43.8 | Very low | 56 Ų | 56 | 135.7 Ų | 135.7 | 58% | 0.577 | 79% | 0.785 | S | S | * | * | | | trans | -86.1 | 98.9 | 166.2 | 0 | 0 | 0 | 0 | 0 | 106 | T82 T86 | T82-G84 PolarHBondContact O-N 2.91Å; G84-T86 VanDerWaalsContact C-N 3.25Å; G84-T86 PolarHBondContact O-N 2.73Å |
| 85 | E | 42.3 | Very low | 44.7 | Very low | 196 Ų | 196 | 137 Ų | 137 | 92% | 0.916 | 78% | 0.781 | S | S | * | * | | | trans | -47 | 88.9 | 167.6 | -69.3 | 178.7 | 109.2 | 0 | 0 | 110.2 | D83 S87 | D83-E85 PolarHBondContact O-N 2.73Å; E85-S87 VanDerWaalsContact C-N 3.29Å; E85-S87 PolarHBondContact O-N 3.35Å |
| 86 | T | 46.5 | Very low | 45.4 | Very low | 135 Ų | 135 | 137.9 Ų | 137.9 | 83% | 0.828 | 78% | 0.781 | S | S | * | * | | | trans | -75.8 | 95.5 | 165.9 | 49.8 | 0 | 0 | 0 | 0 | 106 | G84 K88 | G84-T86 VanDerWaalsContact C-N 3.25Å; G84-T86 PolarHBondContact O-N 2.73Å; T86-K88 PolarHBondContact O-N 3.04Å |
| 87 | S | 47.7 | Very low | 46.3 | Very low | 88 Ų | 88 | 140.2 Ų | 140.2 | 62% | 0.615 | 78% | 0.781 | S | S | * | * | | | trans | -26.6 | 122.1 | 167.3 | -177.9 | 0 | 0 | 0 | 0 | 110.9 | E85 E89 | E85-S87 VanDerWaalsContact C-N 3.29Å; E85-S87 PolarHBondContact O-N 3.35Å; S87-E89 PolarHBondContact O-N 3Å |
| 88 | K | 48.5 | Very low | 47.2 | Very low | 200 Ų | 200 | 141.1 Ų | 141.1 | 87% | 0.87 | 78% | 0.776 | S | S | * | * | | | trans | -67.9 | 70.1 | 167.7 | -67.4 | -179.2 | 177.7 | 177.9 | 0 | 108.4 | T86 Q90 | T86-K88 PolarHBondContact O-N 3.04Å; K88-Q90 PolarHBondContact O-N 3.44Å |
| 89 | E | 50.5 | Low | 47.9 | Very low | 168 Ų | 168 | 141.5 Ų | 141.5 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | | | trans | -66.9 | 98.2 | 158.5 | -75.4 | -175.9 | 172.6 | 0 | 0 | 105.4 | S87 L91 | S87-E89 PolarHBondContact O-N 3Å; E89-L91 PolarHBondContact O-N 2.67Å |
| 90 | Q | 46.6 | Very low | 48.8 | Very low | 185 Ų | 185 | 143.4 Ų | 143.4 | 86% | 0.864 | 78% | 0.781 | S | S | * | * | | | trans | -46.8 | 112.1 | 170.5 | -63.7 | 171.3 | -78.1 | 0 | 0 | 107 | K88 G92 | K88-Q90 PolarHBondContact O-N 3.44Å; Q90-G92 PolarHBondContact O-N 3Å |
| 91 | L | 54.6 | Low | 49.6 | Very low | 184 Ų | 184 | 147.9 Ų | 147.9 | 96% | 0.963 | 79% | 0.79 | S | S | * | * | | | trans | -66.2 | 75.7 | 158.3 | -74.1 | 168.3 | 0 | 0 | 0 | 106.4 | E89 N93 | E89-L91 PolarHBondContact O-N 2.67Å; L91-N93 PolarHBondContact O-N 2.75Å |
| 92 | G | 48.4 | Very low | 50.4 | Low | 57 Ų | 57 | 145 Ų | 145 | 59% | 0.588 | 77% | 0.771 | S | S | * | * | | | trans | -65 | 119.5 | 165.6 | 0 | 0 | 0 | 0 | 0 | 107.3 | Q90 | Q90-G92 PolarHBondContact O-N 3Š|
| 93 | N | 44.8 | Very low | 51.8 | Low | 147 Ų | 147 | 142 Ų | 142 | 79% | 0.786 | 76% | 0.756 | S | S | * | * | | | trans | 39.9 | 115.4 | 146 | -57 | -16.9 | 0 | 0 | 0 | 117.5 | L91 | L91-N93 PolarHBondContact O-N 2.75Š|
| 94 | D | 54.9 | Low | 52.9 | Low | 166 Ų | 166 | 144 Ų | 144 | 89% | 0.888 | 75% | 0.751 | S | S | * | * | | | trans | -175 | 59.1 | 133.6 | -86.9 | -16.8 | 0 | 0 | 0 | 110.9 | | |
| 95 | H | 52.6 | Low | 54.2 | Low | 159 Ų | 159 | 147.2 Ų | 147.2 | 74% | 0.736 | 76% | 0.755 | S | S | * | * | | | trans | -117.6 | 39.7 | 164.4 | -151.8 | -59.4 | 0 | 0 | 0 | 110.8 | L98 | H95-L98 VanDerWaalsContact CE1-CD1 3.43Å; H95-L98 WeakPolarHBondContact CE1-CD1 3.38Å |
| 96 | E | 52.8 | Low | 55.7 | Low | 187 Ų | 187 | 143.5 Ų | 143.5 | 87% | 0.874 | 74% | 0.736 | S | S | * | * | | | trans | -80.6 | 135.1 | 158.6 | -65.1 | -153.8 | 135.9 | 0 | 0 | 108.6 | | |
| 97 | N | 54.2 | Low | 57 | Low | 141 Ų | 141 | 141.7 Ų | 141.7 | 75% | 0.754 | 72% | 0.717 | S | S | * | * | | | trans | 97.8 | 47.3 | 164.3 | -136.6 | 17.1 | 0 | 0 | 0 | 119.5 | | |
| 98 | L | 55.4 | Low | 58.4 | Low | 127 Ų | 127 | 142.7 Ų | 142.7 | 67% | 0.665 | 71% | 0.714 | S | S | * | * | | | trans | -109.2 | 52.7 | 151.9 | -96.6 | 151.4 | 0 | 0 | 0 | 109.6 | H95 | H95-L98 VanDerWaalsContact CE1-CD1 3.43Å; H95-L98 WeakPolarHBondContact CE1-CD1 3.38Å |
| 99 | Q | 54.8 | Low | 59.6 | Low | 171 Ų | 171 | 136.6 Ų | 136.6 | 80% | 0.799 | 70% | 0.697 | S | S | * | * | | | trans | -95.7 | 6 | 177.6 | -85.5 | -97.3 | -45 | 0 | 0 | 113.9 | | |
| 100 | D | 58.5 | Low | 60.8 | Low | 155 Ų | 155 | 133.3 Ų | 133.3 | 83% | 0.829 | 68% | 0.683 | S | S | * | * | | | trans | -111.1 | 42 | 173.9 | -75 | -33.4 | 0 | 0 | 0 | 111.9 | P102 | D100-P102 WeakPolarHBondContact O-CD 3.31Š|
| 101 | E | 57.6 | Low | 62 | Low | 162 Ų | 162 | 128.5 Ų | 128.5 | 76% | 0.757 | 67% | 0.666 | S | S | * | * | | | trans | -66.5 | 111.6 | 154.9 | -87 | -103.6 | 136.1 | 0 | 0 | 106.1 | S103 | E101-S103 PolarHBondContact O-N 3.49Š|
| 102 | P | 61.8 | Low | 63.1 | Low | 64 Ų | 64 | 122.2 Ų | 122.2 | 42% | 0.416 | 64% | 0.641 | S | S | . | * | | | trans | -55.5 | 123.1 | 178.3 | 18.9 | -28.4 | 0 | 0 | 0 | 108.3 | D100 W104 F106 F107 | D100-P102 WeakPolarHBondContact O-CD 3.31Å; P102-W104 PolarHBondContact O-N 2.94Å; P102-F106 HydrophobicContact CB-CB 4.24Å; P102-F106 HydrophobicContact CB-CD1 3.9Å; P102-F106 HydrophobicContact CB-CG 4.3Å; P102-F107 HydrophobicContact CB-CE2 4.01Å; P102-F107 HydrophobicContact CB-CZ 4.4Å; P102-F107 HydrophobicContact CG-CE2 3.63Å; P102-F107 HydrophobicContact CG-CZ 3.71Å |
| 103 | S | 68.4 | Low | 64.4 | Low | 68 Ų | 68 | 123 Ų | 123 | 48% | 0.476 | 63% | 0.634 | S | S | . | * | | | trans | -53.7 | 144.4 | 177.4 | 63.9 | 0 | 0 | 0 | 0 | 108.9 | E101 D105 F106 | E101-S103 PolarHBondContact O-N 3.49Å; S103-D105 PolarHBondContact O-N 3.26Å; S103-F106 VanDerWaalsContact O-CB 3.31Å; S103-F106 WeakPolarHBondContact O-CB 3.33Å; S103-F106 PolarHBondContact O-N 2.65Å |
| 104 | W | 66.1 | Low | 65.9 | Low | 207 Ų | 207 | 124.3 Ų | 124.3 | 78% | 0.784 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -49.2 | -29.2 | 176.6 | -91.6 | 96 | 0 | 0 | 0 | 112.8 | P102 F106 F107 I108 | P102-W104 PolarHBondContact O-N 2.94Å; W104-F106 VanDerWaalsContact C-N 3.31Å; W104-F106 PolarHBondContact O-N 3.04Å; W104-F107 PolarHBondContact O-N 2.73Å; W104-F107 VanDerWaalsContact O-N 3.15Å; W104-I108 WeakPolarHBondContact O-CG1 3.47Å; W104-I108 PolarHBondContact O-N 2.78Å; W104-I108 VanDerWaalsContact O-N 3.08Å |
| 105 | D | 72.1 | Confident | 66.8 | Low | 125 Ų | 125 | 120.6 Ų | 120.6 | 67% | 0.668 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -58.5 | -36.8 | 174.3 | -60.2 | -33.9 | 0 | 0 | 0 | 113.4 | S103 F107 I108 S109 | S103-D105 PolarHBondContact O-N 3.26Å; D105-F107 VanDerWaalsContact C-N 3.35Å; D105-F107 PolarHBondContact O-N 3.27Å; D105-I108 PolarHBondContact O-N 2.92Å; D105-S109 WeakPolarHBondContact O-CB 3.12Å; D105-S109 PolarHBondContact O-N 3.3Å |
| 106 | F | 74 | Confident | 67.7 | Low | 118 Ų | 118 | 120.2 Ų | 120.2 | 52% | 0.518 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -61.1 | -44.2 | 174.8 | 177.8 | -102.4 | 0 | 0 | 0 | 111.3 | P102 S103 W104 S109 M110 | P102-F106 HydrophobicContact CB-CB 4.24Å; P102-F106 HydrophobicContact CB-CD1 3.9Å; P102-F106 HydrophobicContact CB-CG 4.3Å; S103-F106 VanDerWaalsContact O-CB 3.31Å; S103-F106 WeakPolarHBondContact O-CB 3.33Å; S103-F106 PolarHBondContact O-N 2.65Å; W104-F106 VanDerWaalsContact C-N 3.31Å; W104-F106 PolarHBondContact O-N 3.04Å; F106-S109 PolarHBondContact O-N 3.4Å; F106-M110 HydrophobicContact CD1-CE 3.91Å; F106-M110 HydrophobicContact CE1-CE 3.37Å; F106-M110 HydrophobicContact CZ-CE 3.98Å; F106-M110 PolarHBondContact O-N 3.11Å |
| 107 | F | 72.5 | Confident | 68.5 | Low | 96 Ų | 96 | 119.6 Ų | 119.6 | 42% | 0.421 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -66.3 | -41.8 | 178.3 | -69 | -76.5 | 0 | 0 | 0 | 112.2 | P102 W104 D105 M110 V111 | P102-F107 HydrophobicContact CB-CE2 4.01Å; P102-F107 HydrophobicContact CB-CZ 4.4Å; P102-F107 HydrophobicContact CG-CE2 3.63Å; P102-F107 HydrophobicContact CG-CZ 3.71Å; W104-F107 PolarHBondContact O-N 2.73Å; W104-F107 VanDerWaalsContact O-N 3.15Å; D105-F107 VanDerWaalsContact C-N 3.35Å; D105-F107 PolarHBondContact O-N 3.27Å; F107-M110 HydrophobicContact CD1-CE 4.24Å; F107-M110 PolarHBondContact O-N 2.85Å; F107-V111 WeakPolarHBondContact O-CG2 3.43Å; F107-V111 PolarHBondContact O-N 2.93Å; F107-V111 VanDerWaalsContact O-N 3.12Å |
| 108 | I | 77.2 | Confident | 69.2 | Low | 109 Ų | 109 | 119 Ų | 119 | 56% | 0.559 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -64.8 | -43.3 | 177.5 | -62.7 | -61.3 | 0 | 0 | 0 | 111.1 | W104 D105 M110 V111 A112 | W104-I108 WeakPolarHBondContact O-CG1 3.47Å; W104-I108 PolarHBondContact O-N 2.78Å; W104-I108 VanDerWaalsContact O-N 3.08Å; D105-I108 PolarHBondContact O-N 2.92Å; I108-M110 VanDerWaalsContact C-N 3.34Å; I108-M110 PolarHBondContact O-N 2.97Å; I108-V111 PolarHBondContact O-N 2.77Å; I108-A112 PolarHBondContact O-N 2.98Å |
| 109 | S | 74.6 | Confident | 69.3 | Low | 73 Ų | 73 | 124.3 Ų | 124.3 | 51% | 0.51 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -59.5 | -43.1 | 176.2 | -178.2 | 0 | 0 | 0 | 0 | 112 | D105 F106 V111 A112 V113 | D105-S109 WeakPolarHBondContact O-CB 3.12Å; D105-S109 PolarHBondContact O-N 3.3Å; F106-S109 PolarHBondContact O-N 3.4Å; S109-V111 PolarHBondContact O-N 2.72Å; S109-A112 PolarHBondContact O-N 2.84Å; S109-V113 WeakPolarHBondContact O-CG2 3.14Å; S109-V113 PolarHBondContact O-N 3.07Å |
| 110 | M | 74.6 | Confident | 70.1 | Confident | 99 Ų | 99 | 122 Ų | 122 | 49% | 0.488 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -63.4 | -40.7 | 178.3 | -163.1 | -167.9 | -32.2 | 0 | 0 | 112.6 | F106 F107 I108 R114 | F106-M110 HydrophobicContact CD1-CE 3.91Å; F106-M110 HydrophobicContact CE1-CE 3.37Å; F106-M110 HydrophobicContact CZ-CE 3.98Å; F106-M110 PolarHBondContact O-N 3.11Å; F107-M110 HydrophobicContact CD1-CE 4.24Å; F107-M110 PolarHBondContact O-N 2.85Å; I108-M110 VanDerWaalsContact C-N 3.34Å; I108-M110 PolarHBondContact O-N 2.97Å; M110-R114 WeakPolarHBondContact O-CB 3.34Å; M110-R114 PolarHBondContact O-N 3.13Å; M110-R114 VanDerWaalsContact O-N 3.1Å |
| 111 | V | 73.3 | Confident | 70.7 | Confident | 83 Ų | 83 | 120.2 Ų | 120.2 | 50% | 0.503 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -66.2 | -39.3 | 175.5 | 174.1 | 0 | 0 | 0 | 0 | 111 | F107 I108 S109 R114 N115 | F107-V111 WeakPolarHBondContact O-CG2 3.43Å; F107-V111 PolarHBondContact O-N 2.93Å; F107-V111 VanDerWaalsContact O-N 3.12Å; I108-V111 PolarHBondContact O-N 2.77Å; S109-V111 PolarHBondContact O-N 2.72Å; V111-R114 PolarHBondContact O-N 2.74Å; V111-N115 VanDerWaalsContact O-CG 3.3Å; V111-N115 PolarHBondContact O-N 3.01Å; V111-N115 VanDerWaalsContact O-N 3.09Å; V111-N115 PolarHBondContact O-ND2 3.43Å |
| 112 | A | 77.4 | Confident | 71.4 | Confident | 53 Ų | 53 | 117.9 Ų | 117.9 | 44% | 0.438 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -63.2 | -48.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | I108 S109 R114 N115 E116 | I108-A112 PolarHBondContact O-N 2.98Å; S109-A112 PolarHBondContact O-N 2.84Å; A112-R114 VanDerWaalsContact C-N 3.34Å; A112-R114 PolarHBondContact O-N 2.93Å; A112-N115 PolarHBondContact O-N 2.78Å; A112-E116 PolarHBondContact O-N 2.83Å |
| 113 | V | 75.9 | Confident | 72 | Confident | 72 Ų | 72 | 121.1 Ų | 121.1 | 44% | 0.436 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -60.4 | -44 | 177.4 | 174.2 | 0 | 0 | 0 | 0 | 110.9 | S109 N115 E116 F117 | S109-V113 WeakPolarHBondContact O-CG2 3.14Å; S109-V113 PolarHBondContact O-N 3.07Å; V113-N115 VanDerWaalsContact C-N 3.27Å; V113-N115 PolarHBondContact O-N 2.65Å; V113-E116 PolarHBondContact O-N 3.17Å; V113-F117 HydrophobicContact CG1-CD2 3.98Å; V113-F117 HydrophobicContact CG1-CE2 3.9Å; V113-F117 WeakPolarHBondContact O-CD2 3.23Å; V113-F117 PolarHBondContact O-N 3.18Å |
| 114 | R | 76.5 | Confident | 72.2 | Confident | 176 Ų | 176 | 124.4 Ų | 124.4 | 66% | 0.664 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -59.2 | -38.7 | 177.5 | -174.8 | -178 | 176.6 | -141.2 | -1.3 | 112.3 | M110 V111 A112 E116 F117 L118 | M110-R114 WeakPolarHBondContact O-CB 3.34Å; M110-R114 PolarHBondContact O-N 3.13Å; M110-R114 VanDerWaalsContact O-N 3.1Å; V111-R114 PolarHBondContact O-N 2.74Å; A112-R114 VanDerWaalsContact C-N 3.34Å; A112-R114 PolarHBondContact O-N 2.93Å; R114-E116 VanDerWaalsContact C-N 3.35Å; R114-F117 PolarHBondContact O-N 3.26Å; R114-L118 HydrophobicContact CG-CD1 4.15Å; R114-L118 WeakPolarHBondContact O-CG 2.87Å; R114-L118 PolarHBondContact O-N 3.01Å |
| 115 | N | 72.2 | Confident | 72.6 | Confident | 87 Ų | 87 | 118.9 Ų | 118.9 | 47% | 0.465 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -71.4 | -26.5 | 179.5 | -73.1 | -23.5 | 0 | 0 | 0 | 113.3 | V111 A112 V113 | V111-N115 VanDerWaalsContact O-CG 3.3Å; V111-N115 PolarHBondContact O-N 3.01Å; V111-N115 VanDerWaalsContact O-N 3.09Å; V111-N115 PolarHBondContact O-ND2 3.43Å; A112-N115 PolarHBondContact O-N 2.78Å; V113-N115 VanDerWaalsContact C-N 3.27Å; V113-N115 PolarHBondContact O-N 2.65Å |
| 116 | E | 73 | Confident | 72.6 | Confident | 152 Ų | 152 | 118.4 Ų | 118.4 | 71% | 0.71 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -70.9 | -38.9 | 171.5 | -72.6 | -161.4 | 158.5 | 0 | 0 | 112.3 | A112 V113 R114 L118 K119 | A112-E116 PolarHBondContact O-N 2.83Å; V113-E116 PolarHBondContact O-N 3.17Å; R114-E116 VanDerWaalsContact C-N 3.35Å; E116-L118 VanDerWaalsContact C-N 3.26Å; E116-L118 PolarHBondContact O-N 3.12Å; E116-K119 PolarHBondContact O-N 2.75Å |
| 117 | F | 69 | Low | 72.5 | Confident | 174 Ų | 174 | 118.5 Ų | 118.5 | 76% | 0.763 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -71.1 | -19.2 | 177.8 | -84.6 | -81 | 0 | 0 | 0 | 114.4 | V113 R114 | V113-F117 HydrophobicContact CG1-CD2 3.98Å; V113-F117 HydrophobicContact CG1-CE2 3.9Å; V113-F117 WeakPolarHBondContact O-CD2 3.23Å; V113-F117 PolarHBondContact O-N 3.18Å; R114-F117 PolarHBondContact O-N 3.26Å |
| 118 | L | 69.5 | Low | 72.5 | Confident | 128 Ų | 128 | 120.3 Ų | 120.3 | 67% | 0.67 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.2 | -3.1 | 178.2 | -70.3 | 172.6 | 0 | 0 | 0 | 113.5 | R114 E116 | R114-L118 HydrophobicContact CG-CD1 4.15Å; R114-L118 WeakPolarHBondContact O-CG 2.87Å; R114-L118 PolarHBondContact O-N 3.01Å; E116-L118 VanDerWaalsContact C-N 3.26Å; E116-L118 PolarHBondContact O-N 3.12Å |
| 119 | K | 57.1 | Low | 72.1 | Confident | 238 Ų | 238 | 121.4 Ų | 121.4 | 100% | 1.035 | 61% | 0.608 | S | S | * | * | | | trans | -92.6 | 0 | 170.8 | -74.3 | 178.7 | -180 | 175.8 | 0 | 110.6 | E116 | E116-K119 PolarHBondContact O-N 2.75Š|