| 1 | M | 39.9 | Very low | 38.5 | Very low | 237 Ų | 237 | 165.8 Ų | 165.8 | 100% | 1.167 | 84% | 0.836 | S | S | * | * | | | | 0 | 117.7 | 0 | -69.9 | 162.6 | 175.4 | 0 | 0 | 105.4 | | |
| 2 | K | 34.8 | Very low | 38.6 | Very low | 193 Ų | 193 | 163 Ų | 163 | 84% | 0.839 | 84% | 0.838 | S | S | * | * | | | | 51 | 122.9 | 50.8 | -75.8 | -168.6 | 172.2 | -173.3 | 0 | 110.4 | | |
| 3 | T | 40.9 | Very low | 38.8 | Very low | 118 Ų | 118 | 158.6 Ų | 158.6 | 72% | 0.724 | 83% | 0.831 | S | S | * | * | | | cis | -135.3 | 139.9 | 22.5 | 45.7 | 0 | 0 | 0 | 0 | 112.3 | | |
| 4 | E | 39.3 | Very low | 39.5 | Very low | 162 Ų | 162 | 155.2 Ų | 155.2 | 76% | 0.757 | 82% | 0.823 | S | S | * | * | | | | 61.2 | 109.4 | 101.9 | -49.9 | -155 | 160 | 0 | 0 | 115 | | |
| 5 | M | 35.7 | Very low | 39.6 | Very low | 175 Ų | 175 | 153.6 Ų | 153.6 | 86% | 0.862 | 83% | 0.825 | S | S | * | * | | | | 69.6 | 117.8 | 85.8 | -65.6 | -130.3 | -160.1 | 0 | 0 | 115.4 | | |
| 6 | C | 38.7 | Very low | 39.5 | Very low | 107 Ų | 107 | 151.4 Ų | 151.4 | 72% | 0.723 | 82% | 0.823 | S | S | * | * | | | | -169.4 | 141.2 | 105 | -100.5 | 0 | 0 | 0 | 0 | 115.3 | | |
| 7 | R | 35.8 | Very low | 39.7 | Very low | 243 Ų | 243 | 157.2 Ų | 157.2 | 92% | 0.917 | 83% | 0.83 | S | S | * | * | | | trans | 25.2 | 139.2 | 137.7 | -53.9 | 178 | -172.1 | -147.3 | -0.8 | 119.7 | | |
| 8 | G | 33.1 | Very low | 39.9 | Very low | 73 Ų | 73 | 161.7 Ų | 161.7 | 75% | 0.753 | 83% | 0.834 | S | S | * | * | | | cis | 175 | -174.5 | 4.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 9 | I | 44.1 | Very low | 40.6 | Very low | 173 Ų | 173 | 163.4 Ų | 163.4 | 89% | 0.887 | 83% | 0.834 | S | S | * | * | | | trans | -94.7 | 133.2 | -167.4 | -61.5 | 164.5 | 0 | 0 | 0 | 111.5 | | |
| 10 | R | 35.5 | Very low | 40.6 | Very low | 242 Ų | 242 | 160.5 Ų | 160.5 | 91% | 0.913 | 83% | 0.827 | S | S | * | * | | | trans | -147 | 167.7 | 157.2 | -111.1 | -155.8 | 159.4 | 172.7 | -4.1 | 109.8 | | |
| 11 | P | 45.2 | Very low | 41 | Very low | 101 Ų | 101 | 163.9 Ų | 163.9 | 66% | 0.656 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -96.9 | 164.4 | -136.7 | 30.2 | -20 | 0 | 0 | 0 | 114.4 | S13 | P11-S13 PolarHBondContact O-N 2.83Š|
| 12 | P | 40.1 | Very low | 41 | Very low | 132 Ų | 132 | 161.9 Ų | 161.9 | 86% | 0.857 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 121.6 | 173.3 | 27.3 | -34.6 | 0 | 0 | 0 | 111.1 | | |
| 13 | S | 40.8 | Very low | 41.4 | Very low | 106 Ų | 106 | 157.5 Ų | 157.5 | 74% | 0.741 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 152.9 | 171.2 | 49.2 | 0 | 0 | 0 | 0 | 111.5 | P11 | P11-S13 PolarHBondContact O-N 2.83Š|
| 14 | P | 49.2 | Very low | 41.7 | Very low | 111 Ų | 111 | 160.3 Ų | 160.3 | 72% | 0.721 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 145.7 | -173.3 | 28.1 | -35.4 | 0 | 0 | 0 | 112.8 | C16 | P14-C16 PolarHBondContact O-N 3.02Š|
| 15 | P | 41.2 | Very low | 41.8 | Very low | 131 Ų | 131 | 163.4 Ų | 163.4 | 85% | 0.851 | 82% | 0.821 | S | S | * | * | | | trans | -72.5 | 112.3 | -176.6 | 28.5 | -34.5 | 0 | 0 | 0 | 112.4 | R17 | P15-R17 PolarHBondContact O-N 3.03Š|
| 16 | C | 37 | Very low | 42 | Very low | 118 Ų | 118 | 157.9 Ų | 157.9 | 80% | 0.797 | 81% | 0.81 | S | S | * | * | | | trans | -61 | 126.5 | 174.9 | -56 | 0 | 0 | 0 | 0 | 111.7 | P14 R18 | P14-C16 PolarHBondContact O-N 3.02Å; C16-R18 PolarHBondContact O-N 3.45Å |
| 17 | R | 44.3 | Very low | 42.2 | Very low | 250 Ų | 250 | 164.3 Ų | 164.3 | 94% | 0.943 | 82% | 0.819 | S | S | * | * | | | trans | -58.4 | 105 | 175 | -75.6 | -172.3 | 173.7 | -154.1 | 0.2 | 111.3 | P15 K19 | P15-R17 PolarHBondContact O-N 3.03Å; R17-K19 PolarHBondContact O-N 3.27Å |
| 18 | R | 42.6 | Very low | 43.2 | Very low | 238 Ų | 238 | 161 Ų | 161 | 90% | 0.898 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 120.1 | 168.1 | -71.6 | -176.4 | 173.6 | 179.7 | -1.1 | 109.5 | C16 | C16-R18 PolarHBondContact O-N 3.45Š|
| 19 | K | 53 | Low | 43.6 | Very low | 194 Ų | 194 | 165 Ų | 165 | 84% | 0.843 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 135.2 | 176 | -61.8 | 178.7 | 179.9 | -179.2 | 0 | 110 | R17 R21 | R17-K19 PolarHBondContact O-N 3.27Å; K19-R21 PolarHBondContact O-N 3.39Å |
| 20 | P | 41.8 | Very low | 44.1 | Very low | 106 Ų | 106 | 166.7 Ų | 166.7 | 69% | 0.688 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 121.2 | 174.2 | 27.8 | -33 | 0 | 0 | 0 | 109.4 | F22 | P20-F22 PolarHBondContact O-N 3.02Š|
| 21 | R | 48.1 | Very low | 44.4 | Very low | 232 Ų | 232 | 159.8 Ų | 159.8 | 88% | 0.875 | 79% | 0.794 | S | S | * | * | | | trans | -74.4 | 115.5 | 166.7 | -65.1 | -176.1 | -176.6 | -175.3 | 0.2 | 107.2 | K19 C23 | K19-R21 PolarHBondContact O-N 3.39Å; R21-C23 PolarHBondContact O-N 3.03Å |
| 22 | F | 40.5 | Very low | 44.2 | Very low | 194 Ų | 194 | 165.9 Ų | 165.9 | 85% | 0.851 | 81% | 0.805 | S | S | * | * | | | trans | -70.8 | 73.1 | 172.4 | -80.3 | -82.1 | 0 | 0 | 0 | 110.7 | P20 L24 | P20-F22 PolarHBondContact O-N 3.02Å; F22-L24 PolarHBondContact O-N 3.07Å; F22-L24 VanDerWaalsContact O-N 3.11Å |
| 23 | C | 42.6 | Very low | 44.3 | Very low | 102 Ų | 102 | 168.3 Ų | 168.3 | 69% | 0.689 | 81% | 0.807 | S | S | * | * | | | trans | -66.7 | 105.7 | 158.8 | -65.2 | 0 | 0 | 0 | 0 | 107.3 | R21 R25 | R21-C23 PolarHBondContact O-N 3.03Å; C23-R25 PolarHBondContact O-N 3.45Å |
| 24 | L | 46.6 | Very low | 44.5 | Very low | 177 Ų | 177 | 171.2 Ų | 171.2 | 93% | 0.927 | 81% | 0.812 | S | S | * | * | | | trans | -66.8 | 65.1 | 160.8 | -83.6 | 167.2 | 0 | 0 | 0 | 109.2 | F22 G26 | F22-L24 PolarHBondContact O-N 3.07Å; F22-L24 VanDerWaalsContact O-N 3.11Å; L24-G26 PolarHBondContact O-N 3.01Å |
| 25 | R | 42.7 | Very low | 44 | Very low | 226 Ų | 226 | 174.1 Ų | 174.1 | 85% | 0.853 | 82% | 0.816 | S | S | * | * | | | trans | -74.5 | 76.7 | 173.6 | -168.6 | 177.3 | -161 | -104.8 | 2.9 | 106.8 | C23 R27 | C23-R25 PolarHBondContact O-N 3.45Å; R25-R27 PolarHBondContact O-N 3.21Å |
| 26 | G | 40.2 | Very low | 44.4 | Very low | 60 Ų | 60 | 171 Ų | 171 | 62% | 0.619 | 81% | 0.807 | S | S | * | * | | | trans | -42.8 | 108.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | L24 M28 | L24-G26 PolarHBondContact O-N 3.01Å; G26-M28 PolarHBondContact O-N 3.44Å |
| 27 | R | 42.6 | Very low | 44.8 | Very low | 241 Ų | 241 | 174.7 Ų | 174.7 | 91% | 0.909 | 81% | 0.81 | S | S | * | * | | | trans | -77.3 | 73.7 | -172.4 | -166.9 | -174.7 | -164.8 | -167.3 | 6.4 | 107.3 | R25 K29 | R25-R27 PolarHBondContact O-N 3.21Å; R27-K29 VanDerWaalsContact C-N 3.27Å; R27-K29 PolarHBondContact O-N 2.83Å |
| 28 | M | 55.8 | Low | 45.1 | Very low | 175 Ų | 175 | 166 Ų | 166 | 86% | 0.862 | 78% | 0.782 | S | S | * | * | | | trans | -53.1 | 97.7 | 174.4 | -76.7 | -64.2 | 178.2 | 0 | 0 | 107.4 | G26 K30 | G26-M28 PolarHBondContact O-N 3.44Å; M28-K30 PolarHBondContact O-N 3.4Å; M28-K30 VanDerWaalsContact O-N 3.1Å |
| 29 | K | 42.9 | Very low | 45.7 | Very low | 155 Ų | 155 | 165.1 Ų | 165.1 | 67% | 0.674 | 78% | 0.779 | S | S | * | * | | | trans | -59.7 | 116.2 | 177 | -173.6 | 164.1 | 165.4 | -97.9 | 0 | 104.1 | R27 D31 | R27-K29 VanDerWaalsContact C-N 3.27Å; R27-K29 PolarHBondContact O-N 2.83Å; K29-D31 WeakPolarHBondContact CE-OD1 3.2Å; K29-D31 IonicContact NZ-OD1 2.88Å; K29-D31 PolarHBondContact NZ-OD1 3.43Å; K29-D31 IonicContact NZ-OD2 2.63Å; K29-D31 PolarHBondContact NZ-OD2 3.48Å; K29-D31 PolarHBondContact O-N 3.4Å |
| 30 | K | 53.4 | Low | 45.5 | Very low | 209 Ų | 209 | 162.6 Ų | 162.6 | 91% | 0.909 | 77% | 0.773 | S | S | * | * | | | trans | -68.8 | 73.8 | 165.1 | -86.4 | -170 | 172.1 | -175.3 | 0 | 106.6 | M28 R32 | M28-K30 PolarHBondContact O-N 3.4Å; M28-K30 VanDerWaalsContact O-N 3.1Å; K30-R32 PolarHBondContact O-N 3.03Å; K30-R32 VanDerWaalsContact O-N 3.16Å |
| 31 | D | 41.8 | Very low | 46.1 | Very low | 97 Ų | 97 | 169.1 Ų | 169.1 | 52% | 0.519 | 78% | 0.784 | S | S | . | * | | | trans | -57.5 | 120.6 | 165.6 | -83.5 | -46.8 | 0 | 0 | 0 | 106.3 | K29 M33 | K29-D31 WeakPolarHBondContact CE-OD1 3.2Å; K29-D31 IonicContact NZ-OD1 2.88Å; K29-D31 PolarHBondContact NZ-OD1 3.43Å; K29-D31 IonicContact NZ-OD2 2.63Å; K29-D31 PolarHBondContact NZ-OD2 3.48Å; K29-D31 PolarHBondContact O-N 3.4Å; D31-M33 PolarHBondContact O-N 3.14Å; D31-M33 VanDerWaalsContact O-N 3.13Å |
| 32 | R | 41.1 | Very low | 47.1 | Very low | 230 Ų | 230 | 160.2 Ų | 160.2 | 87% | 0.868 | 76% | 0.757 | S | S | * | * | | | trans | -46.9 | 125.5 | 157.7 | -85.2 | 175.4 | -85.7 | -114.6 | -1.3 | 105.2 | K30 I34 | K30-R32 PolarHBondContact O-N 3.03Å; K30-R32 VanDerWaalsContact O-N 3.16Å; R32-I34 PolarHBondContact O-N 3.17Å |
| 33 | M | 43.4 | Very low | 48.7 | Very low | 183 Ų | 183 | 158.2 Ų | 158.2 | 90% | 0.901 | 75% | 0.752 | S | S | * | * | | | trans | -63.7 | 89 | 178.7 | -69.5 | 174.4 | 172.6 | 0 | 0 | 107.8 | D31 Q35 | D31-M33 PolarHBondContact O-N 3.14Å; D31-M33 VanDerWaalsContact O-N 3.13Å; M33-Q35 PolarHBondContact O-N 3.04Å |
| 34 | I | 44.1 | Very low | 50.4 | Low | 166 Ų | 166 | 154.5 Ų | 154.5 | 85% | 0.851 | 73% | 0.727 | S | S | * | * | | | trans | -61.3 | 92 | 156.9 | -60.3 | 174.8 | 0 | 0 | 0 | 102.4 | R32 G36 | R32-I34 PolarHBondContact O-N 3.17Å; I34-G36 PolarHBondContact O-N 3.47Å |
| 35 | Q | 39.2 | Very low | 52.1 | Low | 173 Ų | 173 | 146.6 Ų | 146.6 | 81% | 0.808 | 69% | 0.689 | S | S | * | * | | | trans | -72.6 | 81.8 | -171.1 | -172.3 | 178 | 9.3 | 0 | 0 | 106.8 | M33 K37 | M33-Q35 PolarHBondContact O-N 3.04Å; Q35-K37 VanDerWaalsContact C-N 3.27Å; Q35-K37 PolarHBondContact O-N 3.15Å |
| 36 | G | 48.8 | Very low | 54.2 | Low | 65 Ų | 65 | 138.5 Ų | 138.5 | 67% | 0.67 | 67% | 0.67 | S | S | * | * | | | trans | -56.8 | 96.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 107 | I34 L38 | I34-G36 PolarHBondContact O-N 3.47Å; G36-L38 PolarHBondContact O-N 3.47Å |
| 37 | K | 45.6 | Very low | 56.4 | Low | 195 Ų | 195 | 141.1 Ų | 141.1 | 85% | 0.848 | 66% | 0.664 | S | S | * | * | | | trans | -75.7 | 46.7 | -176.9 | -163.9 | 176.4 | 178.2 | 177 | 0 | 110.1 | Q35 R39 | Q35-K37 VanDerWaalsContact C-N 3.27Å; Q35-K37 PolarHBondContact O-N 3.15Å; K37-R39 PolarHBondContact O-N 3.13Å |
| 38 | L | 50.8 | Low | 58.6 | Low | 69 Ų | 69 | 131.8 Ų | 131.8 | 36% | 0.361 | 63% | 0.632 | S | S | . | * | | | trans | -46.3 | 124.9 | 161.6 | -178.1 | 71.6 | 0 | 0 | 0 | 106.3 | G36 I40 | G36-L38 PolarHBondContact O-N 3.47Å; L38-I40 HydrophobicContact CD2-CG2 4.26Å; L38-I40 HydrophobicContact CG-CG2 4.47Å; L38-I40 PolarHBondContact O-N 3.28Å |
| 39 | R | 54.6 | Low | 60.2 | Low | 218 Ų | 218 | 127.5 Ų | 127.5 | 82% | 0.823 | 62% | 0.616 | S | S | * | * | | | trans | -72.4 | 83.6 | 179.5 | -68 | 178.8 | 174.4 | -172.4 | -1.8 | 107.9 | K37 R41 S42 | K37-R39 PolarHBondContact O-N 3.13Å; R39-R41 PolarHBondContact O-N 3.02Å; R39-S42 PolarHBondContact O-N 3.23Å; R39-S42 PolarHBondContact O-OG 3.48Å |
| 40 | I | 48.2 | Very low | 62.5 | Low | 142 Ų | 142 | 124.4 Ų | 124.4 | 73% | 0.728 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.2 | 20.5 | 176.4 | 52.8 | 171.3 | 0 | 0 | 0 | 114.3 | L38 | L38-I40 HydrophobicContact CD2-CG2 4.26Å; L38-I40 HydrophobicContact CG-CG2 4.47Å; L38-I40 PolarHBondContact O-N 3.28Å |
| 41 | R | 56.3 | Low | 64.4 | Low | 242 Ų | 242 | 114.5 Ų | 114.5 | 91% | 0.913 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.1 | 24.6 | 170.1 | -158.2 | 177 | 175.8 | 88.1 | -1.7 | 111 | R39 | R39-R41 PolarHBondContact O-N 3.02Š|
| 42 | S | 67.6 | Low | 66.8 | Low | 46 Ų | 46 | 113.6 Ų | 113.6 | 32% | 0.322 | 56% | 0.561 | S | S | . | * | S | Bend | trans | -75 | 148 | 157.4 | 65.7 | 0 | 0 | 0 | 0 | 109.2 | R39 G45 A46 | R39-S42 PolarHBondContact O-N 3.23Å; R39-S42 PolarHBondContact O-OG 3.48Å; S42-G45 PolarHBondContact O-N 3.41Å; S42-A46 PolarHBondContact O-N 3.41Å |
| 43 | M | 75.1 | Confident | 69.4 | Low | 151 Ų | 151 | 107 Ų | 107 | 74% | 0.744 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -49 | -52 | 179.5 | -77.4 | -66.6 | -176.1 | 0 | 0 | 113.9 | G45 A46 F47 | M43-G45 PolarHBondContact O-N 2.99Å; M43-A46 WeakPolarHBondContact O-CB 3.35Å; M43-A46 PolarHBondContact O-N 3.29Å; M43-A46 VanDerWaalsContact O-N 3.12Å; M43-F47 VanDerWaalsContact O-CD2 3.22Å; M43-F47 WeakPolarHBondContact O-CD2 3.31Å; M43-F47 PolarHBondContact O-N 3.46Å |
| 44 | P | 77.8 | Confident | 71.8 | Confident | 24 Ų | 24 | 100.1 Ų | 100.1 | 16% | 0.156 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -66.7 | -24.6 | -179.5 | 28.7 | -37.1 | 0 | 0 | 0 | 113.3 | F47 L48 V133 L134 | P44-F47 PolarHBondContact O-N 2.89Å; P44-L48 PolarHBondContact O-N 3.37Å; P44-V133 HydrophobicContact CB-CG1 4.08Å; P44-L134 HydrophobicContact CB-CD2 3.72Å; P44-L134 HydrophobicContact CB-CG 3.92Å; P44-L134 HydrophobicContact CG-CD2 3.82Å |
| 45 | G | 83.1 | Confident | 74.2 | Confident | 12 Ų | 12 | 93.6 Ų | 93.6 | 12% | 0.124 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -66.2 | -35.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | S42 M43 L48 V49 | S42-G45 PolarHBondContact O-N 3.41Å; M43-G45 PolarHBondContact O-N 2.99Å; G45-L48 PolarHBondContact O-N 3.09Å; G45-V49 WeakPolarHBondContact O-CG2 3.39Å; G45-V49 PolarHBondContact O-N 3.43Å |
| 46 | A | 85.1 | Confident | 76.8 | Confident | 55 Ų | 55 | 88.1 Ų | 88.1 | 46% | 0.455 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -67.1 | -39.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | S42 M43 L48 V49 L50 | S42-A46 PolarHBondContact O-N 3.41Å; M43-A46 WeakPolarHBondContact O-CB 3.35Å; M43-A46 PolarHBondContact O-N 3.29Å; M43-A46 VanDerWaalsContact O-N 3.12Å; A46-L48 VanDerWaalsContact C-N 3.35Å; A46-L48 PolarHBondContact O-N 2.84Å; A46-V49 PolarHBondContact O-N 2.88Å; A46-L50 WeakPolarHBondContact O-CB 3.45Å; A46-L50 PolarHBondContact O-N 3.19Å |
| 47 | F | 87.3 | Confident | 78.9 | Confident | 115 Ų | 115 | 88.5 Ų | 88.5 | 50% | 0.504 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -65.3 | -35.2 | 176.1 | -69.7 | -71 | 0 | 0 | 0 | 112.9 | M43 P44 L50 G51 A130 | M43-F47 VanDerWaalsContact O-CD2 3.22Å; M43-F47 WeakPolarHBondContact O-CD2 3.31Å; M43-F47 PolarHBondContact O-N 3.46Å; P44-F47 PolarHBondContact O-N 2.89Å; F47-L50 PolarHBondContact O-N 3.29Å; F47-G51 PolarHBondContact O-N 3.48Å; F47-A130 HydrophobicContact CB-CB 4.01Å |
| 48 | L | 88.8 | Confident | 81.1 | Confident | 45 Ų | 45 | 79.2 Ų | 79.2 | 24% | 0.236 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -64.3 | -46.2 | 173.1 | 178.3 | 63.7 | 0 | 0 | 0 | 111.7 | P44 G45 A46 L50 G51 V52 L127 A130 L134 | P44-L48 PolarHBondContact O-N 3.37Å; G45-L48 PolarHBondContact O-N 3.09Å; A46-L48 VanDerWaalsContact C-N 3.35Å; A46-L48 PolarHBondContact O-N 2.84Å; L48-L50 VanDerWaalsContact C-N 3.32Å; L48-L50 PolarHBondContact O-N 2.77Å; L48-G51 PolarHBondContact O-N 3.28Å; L48-V52 WeakPolarHBondContact O-CG2 3.35Å; L48-V52 PolarHBondContact O-N 2.97Å; L48-L127 HydrophobicContact CD1-CD1 4.43Å; L48-L127 HydrophobicContact CD1-CG 4.06Å; L48-A130 HydrophobicContact CB-CB 4.26Å; L48-L134 HydrophobicContact CB-CD1 3.6Å; L48-L134 HydrophobicContact CD2-CD1 3.49Å; L48-L134 VanDerWaalsContact CD2-CD1 3.49Å; L48-L134 HydrophobicContact CG-CD1 4.09Å |
| 49 | V | 90.3 | Very high | 83.1 | Confident | 86 Ų | 86 | 79 Ų | 79 | 52% | 0.521 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -61 | -42.6 | 177.1 | 173.4 | 0 | 0 | 0 | 0 | 110.9 | G45 A46 V52 I53 | G45-V49 WeakPolarHBondContact O-CG2 3.39Å; G45-V49 PolarHBondContact O-N 3.43Å; A46-V49 PolarHBondContact O-N 2.88Å; V49-V52 PolarHBondContact O-N 3.35Å; V49-I53 HydrophobicContact CG1-CD1 3.97Å; V49-I53 WeakPolarHBondContact O-CG1 3.44Å; V49-I53 PolarHBondContact O-N 3.15Å |
| 50 | L | 89.3 | Confident | 84.8 | Confident | 90 Ų | 90 | 71.5 Ų | 71.5 | 47% | 0.471 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -61.4 | -45 | 174.8 | -176.8 | 62.6 | 0 | 0 | 0 | 111.8 | A46 F47 L48 V52 I53 V54 | A46-L50 WeakPolarHBondContact O-CB 3.45Å; A46-L50 PolarHBondContact O-N 3.19Å; F47-L50 PolarHBondContact O-N 3.29Å; L48-L50 VanDerWaalsContact C-N 3.32Å; L48-L50 PolarHBondContact O-N 2.77Å; L50-V52 PolarHBondContact O-N 2.94Å; L50-I53 PolarHBondContact O-N 3.38Å; L50-V54 WeakPolarHBondContact O-CG2 3.44Å; L50-V54 PolarHBondContact O-N 2.81Å |
| 51 | G | 93.3 | Very high | 86.6 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -58.3 | -44.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | F47 L48 I53 V54 V55 | F47-G51 PolarHBondContact O-N 3.48Å; L48-G51 PolarHBondContact O-N 3.28Å; G51-I53 VanDerWaalsContact C-N 3.35Å; G51-I53 PolarHBondContact O-N 2.91Å; G51-V54 PolarHBondContact O-N 3.04Å; G51-V55 WeakPolarHBondContact O-CG2 3.43Å; G51-V55 PolarHBondContact O-N 3.46Å |
| 52 | V | 93.8 | Very high | 88.2 | Confident | 78 Ų | 78 | 58 Ų | 58 | 47% | 0.473 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61.2 | -41.8 | 175.4 | 172.2 | 0 | 0 | 0 | 0 | 111.6 | L48 V49 L50 V55 A56 L127 | L48-V52 WeakPolarHBondContact O-CG2 3.35Å; L48-V52 PolarHBondContact O-N 2.97Å; V49-V52 PolarHBondContact O-N 3.35Å; L50-V52 PolarHBondContact O-N 2.94Å; V52-V55 PolarHBondContact O-N 3.24Å; V52-A56 WeakPolarHBondContact O-CB 3.49Å; V52-A56 PolarHBondContact O-N 3.07Å; V52-L127 HydrophobicContact CG2-CD1 3.64Å |
| 53 | I | 94.9 | Very high | 89.1 | Confident | 93 Ų | 93 | 59.8 Ų | 59.8 | 48% | 0.477 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63.9 | -45.3 | 176.7 | -67.7 | 163.9 | 0 | 0 | 0 | 110.9 | V49 L50 G51 V55 A56 V57 | V49-I53 HydrophobicContact CG1-CD1 3.97Å; V49-I53 WeakPolarHBondContact O-CG1 3.44Å; V49-I53 PolarHBondContact O-N 3.15Å; L50-I53 PolarHBondContact O-N 3.38Å; G51-I53 VanDerWaalsContact C-N 3.35Å; G51-I53 PolarHBondContact O-N 2.91Å; I53-V55 PolarHBondContact O-N 3.42Å; I53-A56 PolarHBondContact O-N 2.77Å; I53-V57 WeakPolarHBondContact O-CG2 3.23Å; I53-V57 PolarHBondContact O-N 2.76Å |
| 54 | V | 93.2 | Very high | 89.5 | Confident | 38 Ų | 38 | 55.1 Ų | 55.1 | 23% | 0.23 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64.9 | -39.6 | 178.4 | 176.7 | 0 | 0 | 0 | 0 | 111.5 | L50 G51 V57 G58 I119 | L50-V54 WeakPolarHBondContact O-CG2 3.44Å; L50-V54 PolarHBondContact O-N 2.81Å; G51-V54 PolarHBondContact O-N 3.04Å; V54-V57 PolarHBondContact O-N 2.91Å; V54-G58 PolarHBondContact O-N 3.07Å; V54-I119 HydrophobicContact CG1-CG2 4.1Å |
| 55 | V | 94.8 | Very high | 89.7 | Confident | 28 Ų | 28 | 55.4 Ų | 55.4 | 17% | 0.17 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -62.6 | -45.6 | 172.8 | 172.4 | 0 | 0 | 0 | 0 | 110.8 | G51 V52 I53 V57 G58 T59 L124 L127 | G51-V55 WeakPolarHBondContact O-CG2 3.43Å; G51-V55 PolarHBondContact O-N 3.46Å; V52-V55 PolarHBondContact O-N 3.24Å; I53-V55 PolarHBondContact O-N 3.42Å; V55-V57 PolarHBondContact O-N 3.46Å; V55-G58 PolarHBondContact O-N 2.68Å; V55-T59 WeakPolarHBondContact O-CB 3.29Å; V55-T59 PolarHBondContact O-N 2.8Å; V55-T59 PolarHBondContact O-OG1 2.71Å; V55-L124 HydrophobicContact CG2-CD2 4.32Å; V55-L124 HydrophobicContact CG2-CG 4.14Å; V55-L127 HydrophobicContact CG2-CD1 4.41Å |
| 56 | A | 94.8 | Very high | 89.3 | Confident | 58 Ų | 58 | 64.7 Ų | 64.7 | 48% | 0.479 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -60.9 | -42.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | V52 I53 T59 A60 | V52-A56 WeakPolarHBondContact O-CB 3.49Å; V52-A56 PolarHBondContact O-N 3.07Å; I53-A56 PolarHBondContact O-N 2.77Å; A56-T59 PolarHBondContact O-N 2.78Å; A56-A60 WeakPolarHBondContact O-CB 3.38Å; A56-A60 PolarHBondContact O-N 2.76Å |
| 57 | V | 92.8 | Very high | 88.9 | Confident | 73 Ų | 73 | 69.2 Ų | 69.2 | 44% | 0.442 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -66.4 | -42.8 | 174.4 | 172.9 | 0 | 0 | 0 | 0 | 111.3 | I53 V54 V55 T59 A60 L61 | I53-V57 WeakPolarHBondContact O-CG2 3.23Å; I53-V57 PolarHBondContact O-N 2.76Å; V54-V57 PolarHBondContact O-N 2.91Å; V55-V57 PolarHBondContact O-N 3.46Å; V57-T59 PolarHBondContact O-N 3.06Å; V57-A60 PolarHBondContact O-N 3.31Å; V57-L61 HydrophobicContact CG1-CD1 3.91Å; V57-L61 HydrophobicContact CG1-CG 4.37Å; V57-L61 WeakPolarHBondContact O-CB 3.38Å; V57-L61 WeakPolarHBondContact O-CG 3.46Å; V57-L61 PolarHBondContact O-N 3.12Å |
| 58 | G | 92.1 | Very high | 87.5 | Confident | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -61 | -41.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | V54 V55 L61 A62 | V54-G58 PolarHBondContact O-N 3.07Å; V55-G58 PolarHBondContact O-N 2.68Å; G58-L61 PolarHBondContact O-N 3.05Å; G58-A62 WeakPolarHBondContact O-CB 3.32Å; G58-A62 PolarHBondContact O-N 3.1Å |
| 59 | T | 91.8 | Very high | 85.9 | Confident | 65 Ų | 65 | 73.8 Ų | 73.8 | 40% | 0.399 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -65.5 | -44 | 173.1 | -56.9 | 0 | 0 | 0 | 0 | 111.5 | V55 A56 V57 L61 A62 V63 | V55-T59 WeakPolarHBondContact O-CB 3.29Å; V55-T59 PolarHBondContact O-N 2.8Å; V55-T59 PolarHBondContact O-OG1 2.71Å; A56-T59 PolarHBondContact O-N 2.78Å; V57-T59 PolarHBondContact O-N 3.06Å; T59-L61 VanDerWaalsContact C-N 3.34Å; T59-L61 PolarHBondContact O-N 3.41Å; T59-A62 PolarHBondContact O-N 3.13Å; T59-V63 HydrophobicContact CG2-CG2 4.42Å; T59-V63 WeakPolarHBondContact O-CB 3.4Å; T59-V63 WeakPolarHBondContact O-CG2 3.38Å; T59-V63 PolarHBondContact O-N 2.9Å |
| 60 | A | 90.6 | Very high | 84 | Confident | 60 Ų | 60 | 80.6 Ų | 80.6 | 50% | 0.496 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -61.5 | -41.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | A56 V57 V63 A64 | A56-A60 WeakPolarHBondContact O-CB 3.38Å; A56-A60 PolarHBondContact O-N 2.76Å; V57-A60 PolarHBondContact O-N 3.31Å; A60-V63 PolarHBondContact O-N 3.44Å; A60-A64 WeakPolarHBondContact O-CB 3.27Å; A60-A64 PolarHBondContact O-N 3.29Å |
| 61 | L | 86.9 | Confident | 82.1 | Confident | 70 Ų | 70 | 83.4 Ų | 83.4 | 37% | 0.366 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -69.1 | -37.4 | 175.3 | -71.2 | 171.7 | 0 | 0 | 0 | 112.6 | V57 G58 T59 G65 I119 | V57-L61 HydrophobicContact CG1-CD1 3.91Å; V57-L61 HydrophobicContact CG1-CG 4.37Å; V57-L61 WeakPolarHBondContact O-CB 3.38Å; V57-L61 WeakPolarHBondContact O-CG 3.46Å; V57-L61 PolarHBondContact O-N 3.12Å; G58-L61 PolarHBondContact O-N 3.05Å; T59-L61 VanDerWaalsContact C-N 3.34Å; T59-L61 PolarHBondContact O-N 3.41Å; L61-G65 PolarHBondContact O-N 2.73Å; L61-I119 HydrophobicContact CD1-CD1 3.64Å |
| 62 | A | 88.6 | Confident | 79.9 | Confident | 30 Ų | 30 | 88 Ų | 88 | 25% | 0.248 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -65.5 | -42.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | G58 T59 Y66 | G58-A62 WeakPolarHBondContact O-CB 3.32Å; G58-A62 PolarHBondContact O-N 3.1Å; T59-A62 PolarHBondContact O-N 3.13Å; A62-Y66 WeakPolarHBondContact O-CB 3.39Å; A62-Y66 PolarHBondContact O-N 3.33Å |
| 63 | V | 87.4 | Confident | 77.5 | Confident | 84 Ų | 84 | 95.9 Ų | 95.9 | 51% | 0.509 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.7 | -45.7 | 175.4 | 171.6 | 0 | 0 | 0 | 0 | 110.9 | T59 A60 G65 Y66 W67 | T59-V63 HydrophobicContact CG2-CG2 4.42Å; T59-V63 WeakPolarHBondContact O-CB 3.4Å; T59-V63 WeakPolarHBondContact O-CG2 3.38Å; T59-V63 PolarHBondContact O-N 2.9Å; A60-V63 PolarHBondContact O-N 3.44Å; V63-G65 PolarHBondContact O-N 3.26Å; V63-Y66 PolarHBondContact O-N 3Å; V63-W67 VanDerWaalsContact O-CB 3.29Å; V63-W67 WeakPolarHBondContact O-CB 3.41Å; V63-W67 PolarHBondContact O-N 2.77Å |
| 64 | A | 83 | Confident | 74.9 | Confident | 53 Ų | 53 | 96.4 Ų | 96.4 | 44% | 0.438 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.9 | -34.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | A60 | A60-A64 WeakPolarHBondContact O-CB 3.27Å; A60-A64 PolarHBondContact O-N 3.29Å |
| 65 | G | 81.2 | Confident | 72.5 | Confident | 30 Ų | 30 | 99.1 Ų | 99.1 | 31% | 0.309 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -75.5 | -20.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | L61 V63 | L61-G65 PolarHBondContact O-N 2.73Å; V63-G65 PolarHBondContact O-N 3.26Å |
| 66 | Y | 76.3 | Confident | 70.2 | Confident | 208 Ų | 208 | 105.3 Ų | 105.3 | 82% | 0.816 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -90.7 | -31.4 | 170.9 | -174 | -101.8 | 0 | 0 | 0 | 112.6 | A62 V63 | A62-Y66 WeakPolarHBondContact O-CB 3.39Å; A62-Y66 PolarHBondContact O-N 3.33Å; V63-Y66 PolarHBondContact O-N 3Å |
| 67 | W | 76.1 | Confident | 67.8 | Low | 149 Ų | 149 | 110 Ų | 110 | 56% | 0.564 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -66.1 | 126.8 | 177.4 | -166 | -79 | 0 | 0 | 0 | 110.1 | V63 Y69 | V63-W67 VanDerWaalsContact O-CB 3.29Å; V63-W67 WeakPolarHBondContact O-CB 3.41Å; V63-W67 PolarHBondContact O-N 2.77Å; W67-Y69 HydrophobicContact CB-CD2 4.03Å; W67-Y69 HydrophobicContact CB-CE2 4.34Å; W67-Y69 AromaticContact CD1-CD2 3.16Å; W67-Y69 AromaticContact CD1-CE2 3.31Å; W67-Y69 AromaticContact CD1-CG 3.81Å; W67-Y69 HydrophobicContact CD2-CE2 4.48Å; W67-Y69 AromaticContact CG-CD2 3.78Å; W67-Y69 HydrophobicContact CG-CD2 3.78Å; W67-Y69 AromaticContact CG-CE2 3.81Å; W67-Y69 HydrophobicContact CG-CE2 3.81Å; W67-Y69 AromaticContact NE1-CD2 3.95Å; W67-Y69 AromaticContact NE1-CE2 3.7Å; W67-Y69 PolarHBondContact O-N 3.44Å |
| 68 | P | 56.8 | Low | 65.5 | Low | 105 Ų | 105 | 115 Ų | 115 | 68% | 0.682 | 59% | 0.589 | S | S | * | * | | | trans | -76.9 | 70.8 | -179 | 32.1 | -35.6 | 0 | 0 | 0 | 110.8 | R70 | P68-R70 PolarHBondContact O-N 2.93Š|
| 69 | Y | 55.7 | Low | 63.1 | Low | 152 Ų | 152 | 122.5 Ų | 122.5 | 60% | 0.596 | 63% | 0.629 | S | S | * | * | | | trans | -67.8 | 89.1 | -180 | -105.7 | -73.2 | 0 | 0 | 0 | 111.3 | W67 F71 | W67-Y69 HydrophobicContact CB-CD2 4.03Å; W67-Y69 HydrophobicContact CB-CE2 4.34Å; W67-Y69 AromaticContact CD1-CD2 3.16Å; W67-Y69 AromaticContact CD1-CE2 3.31Å; W67-Y69 AromaticContact CD1-CG 3.81Å; W67-Y69 HydrophobicContact CD2-CE2 4.48Å; W67-Y69 AromaticContact CG-CD2 3.78Å; W67-Y69 HydrophobicContact CG-CD2 3.78Å; W67-Y69 AromaticContact CG-CE2 3.81Å; W67-Y69 HydrophobicContact CG-CE2 3.81Å; W67-Y69 AromaticContact NE1-CD2 3.95Å; W67-Y69 AromaticContact NE1-CE2 3.7Å; W67-Y69 PolarHBondContact O-N 3.44Å; Y69-F71 HydrophobicContact CD1-CB 4.21Å; Y69-F71 AromaticContact CD1-CD2 3.93Å; Y69-F71 HydrophobicContact CD1-CD2 3.93Å; Y69-F71 HydrophobicContact CE1-CD2 4.14Å; Y69-F71 PolarHBondContact O-N 3.35Å |
| 70 | R | 50.4 | Low | 60.5 | Low | 228 Ų | 228 | 125.6 Ų | 125.6 | 86% | 0.86 | 65% | 0.648 | S | S | * | * | | | trans | -73 | 5.6 | 171.6 | -73 | -71.8 | -175.3 | 163.7 | -0.3 | 113.6 | P68 | P68-R70 PolarHBondContact O-N 2.93Š|
| 71 | F | 50.8 | Low | 58.3 | Low | 150 Ų | 150 | 132.2 Ų | 132.2 | 66% | 0.658 | 67% | 0.669 | S | S | * | * | | | trans | -117.2 | 96.8 | -173.8 | -48.7 | -82.6 | 0 | 0 | 0 | 110 | Y69 | Y69-F71 HydrophobicContact CD1-CB 4.21Å; Y69-F71 AromaticContact CD1-CD2 3.93Å; Y69-F71 HydrophobicContact CD1-CD2 3.93Å; Y69-F71 HydrophobicContact CE1-CD2 4.14Å; Y69-F71 PolarHBondContact O-N 3.35Å |
| 72 | S | 46.9 | Very low | 56.2 | Low | 96 Ų | 96 | 135.6 Ų | 135.6 | 67% | 0.671 | 69% | 0.686 | S | S | * | * | S | Bend | trans | 177.3 | -21.5 | 165 | -82.5 | 0 | 0 | 0 | 0 | 113 | S74 | S72-S74 PolarHBondContact O-N 3.27Š|
| 73 | R | 42.2 | Very low | 53.7 | Low | 244 Ų | 244 | 142.9 Ų | 142.9 | 92% | 0.921 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | 44.6 | 176.2 | -159.6 | -166.3 | 170.4 | 170.2 | -2.1 | 112.3 | | |
| 74 | S | 40.5 | Very low | 51 | Low | 104 Ų | 104 | 143.4 Ų | 143.4 | 73% | 0.727 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -161.7 | 36.3 | -173.9 | 64.1 | 0 | 0 | 0 | 0 | 112.8 | S72 | S72-S74 PolarHBondContact O-N 3.27Š|
| 75 | S | 42.2 | Very low | 49 | Very low | 95 Ų | 95 | 148.1 Ų | 148.1 | 66% | 0.664 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -151.8 | 23.8 | 175.5 | 72.8 | 0 | 0 | 0 | 0 | 113.7 | | |
| 76 | I | 47.4 | Very low | 46.8 | Very low | 157 Ų | 157 | 152.2 Ų | 152.2 | 81% | 0.805 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -143.7 | 20.3 | 173.3 | -34.4 | 177.4 | 0 | 0 | 0 | 110.2 | | |
| 77 | I | 44.9 | Very low | 44.7 | Very low | 157 Ų | 157 | 149.4 Ų | 149.4 | 81% | 0.805 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -146.4 | 52.7 | 172.6 | -42.8 | 177.5 | 0 | 0 | 0 | 108.6 | | |
| 78 | E | 43.6 | Very low | 43 | Very low | 177 Ų | 177 | 148 Ų | 148 | 83% | 0.827 | 77% | 0.772 | S | S | * | * | | | trans | -149.5 | 150.6 | 161.3 | -150.3 | 165.6 | 153.7 | 0 | 0 | 104.5 | | |
| 79 | D | 42.8 | Very low | 42 | Very low | 159 Ų | 159 | 150.6 Ų | 150.6 | 85% | 0.85 | 78% | 0.775 | S | S | * | * | S | Bend | trans | 74.3 | 74.9 | -162.3 | -58.4 | -23.2 | 0 | 0 | 0 | 116.5 | | |
| 80 | T | 37.1 | Very low | 41.5 | Very low | 129 Ų | 129 | 148 Ų | 148 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | | | | -179.5 | 88.9 | 122.4 | -65.7 | 0 | 0 | 0 | 0 | 109 | L82 | T80-L82 PolarHBondContact O-N 2.9Š|
| 81 | E | 43.6 | Very low | 41 | Very low | 200 Ų | 200 | 142.4 Ų | 142.4 | 94% | 0.935 | 77% | 0.773 | S | S | * | * | | | trans | -87.1 | 84 | 158.7 | -76.3 | -160.9 | 135.7 | 0 | 0 | 109.2 | | |
| 82 | L | 43.4 | Very low | 40.1 | Very low | 141 Ų | 141 | 140.8 Ų | 140.8 | 74% | 0.738 | 78% | 0.78 | S | S | * | * | | | trans | -153.6 | 112.6 | 158.4 | -150.1 | 75 | 0 | 0 | 0 | 112.7 | T80 | T80-L82 PolarHBondContact O-N 2.9Š|
| 83 | E | 35.3 | Very low | 39.5 | Very low | 182 Ų | 182 | 146.7 Ų | 146.7 | 85% | 0.85 | 79% | 0.788 | S | S | * | * | | | trans | 28.1 | 141.2 | 138.5 | -130.4 | 174.5 | 132.8 | 0 | 0 | 123.1 | | |
| 84 | S | 30.6 | Very low | 38.9 | Very low | 95 Ų | 95 | 140.5 Ų | 140.5 | 66% | 0.664 | 78% | 0.782 | S | S | * | * | | | trans | 72.3 | 95.5 | 149.6 | -170.7 | 0 | 0 | 0 | 0 | 121.4 | | |
| 85 | I | 41 | Very low | 38.8 | Very low | 153 Ų | 153 | 142.7 Ų | 142.7 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | | | | 35.2 | 104.4 | 125.6 | -48.7 | 168.6 | 0 | 0 | 0 | 118.1 | | |
| 86 | S | 34.7 | Very low | 38.6 | Very low | 116 Ų | 116 | 141.1 Ų | 141.1 | 81% | 0.811 | 78% | 0.784 | S | S | * | * | | | | 168.4 | 154.7 | 127.5 | -75.3 | 0 | 0 | 0 | 0 | 113.7 | | |
| 87 | D | 32.5 | Very low | 38.1 | Very low | 148 Ų | 148 | 140.1 Ų | 140.1 | 79% | 0.791 | 79% | 0.785 | S | S | * | * | | | trans | -67.6 | 159.5 | 158.5 | -117.4 | -45.9 | 0 | 0 | 0 | 109.9 | | |
| 88 | P | 39.5 | Very low | 37.8 | Very low | 120 Ų | 120 | 141.9 Ų | 141.9 | 78% | 0.779 | 79% | 0.787 | S | S | * | * | | | | -151.4 | 175.5 | 53.6 | 43.4 | -23 | 0 | 0 | 0 | 118.7 | | |
| 89 | Q | 35.9 | Very low | 37.8 | Very low | 159 Ų | 159 | 136.6 Ų | 136.6 | 74% | 0.743 | 78% | 0.78 | S | S | * | * | | | trans | -67.1 | 171.3 | 152.9 | -82.3 | -73.6 | -52 | 0 | 0 | 112.6 | | |
| 90 | P | 45.8 | Very low | 37.8 | Very low | 99 Ų | 99 | 137.6 Ų | 137.6 | 64% | 0.643 | 78% | 0.777 | S | S | * | * | | | cis | -132.1 | 175 | -4.8 | 37.6 | -19.6 | 0 | 0 | 0 | 116 | | |
| 91 | S | 40.5 | Very low | 37.9 | Very low | 109 Ų | 109 | 140.9 Ų | 140.9 | 76% | 0.762 | 78% | 0.781 | S | S | * | * | | | trans | 45.9 | 117 | 146.9 | 64.5 | 0 | 0 | 0 | 0 | 121.8 | | |
| 92 | S | 30.7 | Very low | 37.6 | Very low | 117 Ų | 117 | 135.9 Ų | 135.9 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | | | trans | -149.4 | 132.5 | 142.2 | -165.3 | 0 | 0 | 0 | 0 | 114.1 | | |
| 93 | W | 34.7 | Very low | 37.9 | Very low | 219 Ų | 219 | 134.4 Ų | 134.4 | 83% | 0.83 | 77% | 0.767 | S | S | * | * | | | trans | -4.3 | 127.9 | 153.3 | 169.9 | -76.8 | 0 | 0 | 0 | 118.9 | | |
| 94 | S | 29.9 | Very low | 38.2 | Very low | 115 Ų | 115 | 129.9 Ų | 129.9 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | | | trans | -150.1 | 102.1 | 142.3 | 48.9 | 0 | 0 | 0 | 0 | 110.9 | G96 | S94-G96 VanDerWaalsContact C-N 3.3Å; S94-G96 PolarHBondContact O-N 3Å |
| 95 | L | 38.7 | Very low | 38.9 | Very low | 149 Ų | 149 | 130.3 Ų | 130.3 | 78% | 0.78 | 76% | 0.764 | S | S | * | * | | | trans | -79.8 | 69 | -173.3 | -173 | 62.1 | 0 | 0 | 0 | 112.4 | T97 | L95-T97 PolarHBondContact O-N 3.27Š|
| 96 | G | 36.8 | Very low | 39.3 | Very low | 63 Ų | 63 | 126 Ų | 126 | 65% | 0.649 | 74% | 0.742 | S | S | * | * | | | trans | -86.5 | 97 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | S94 K98 | S94-G96 VanDerWaalsContact C-N 3.3Å; S94-G96 PolarHBondContact O-N 3Å; G96-K98 PolarHBondContact O-N 3.1Å |
| 97 | T | 38.8 | Very low | 39.9 | Very low | 135 Ų | 135 | 127.6 Ų | 127.6 | 83% | 0.828 | 74% | 0.741 | S | S | * | * | S | Bend | trans | 2.3 | 99.7 | 168.4 | 53.8 | 0 | 0 | 0 | 0 | 118.7 | L95 | L95-T97 PolarHBondContact O-N 3.27Š|
| 98 | K | 38.4 | Very low | 40.6 | Very low | 194 Ų | 194 | 126.7 Ų | 126.7 | 84% | 0.843 | 73% | 0.732 | S | S | * | * | | | trans | 55.5 | 66.7 | 154.3 | -58.4 | -175.4 | 179.4 | -179 | 0 | 116.5 | G96 | G96-K98 PolarHBondContact O-N 3.1Š|
| 99 | G | 42.3 | Very low | 41.6 | Very low | 67 Ų | 67 | 123.4 Ų | 123.4 | 69% | 0.691 | 72% | 0.719 | S | S | * | * | | | trans | -64.4 | 134.8 | 165.2 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 100 | F | 43.5 | Very low | 42.9 | Very low | 179 Ų | 179 | 120.1 Ų | 120.1 | 79% | 0.785 | 71% | 0.707 | S | S | * | * | | | trans | -130.1 | -4.7 | 165.5 | -84.9 | -75.3 | 0 | 0 | 0 | 113.6 | | |
| 101 | F | 39.7 | Very low | 43.6 | Very low | 198 Ų | 198 | 123.6 Ų | 123.6 | 87% | 0.868 | 71% | 0.707 | S | S | * | * | | | trans | -139 | 80.9 | 179.1 | -61.6 | -73.5 | 0 | 0 | 0 | 110.8 | P103 | F101-P103 VanDerWaalsContact O-CD 3.29Å; F101-P103 WeakPolarHBondContact O-CD 3.47Å |
| 102 | S | 37.2 | Very low | 44.7 | Very low | 96 Ų | 96 | 123 Ų | 123 | 67% | 0.671 | 69% | 0.693 | S | S | * | * | | | trans | -82.9 | 108.4 | 161.3 | -68.4 | 0 | 0 | 0 | 0 | 108.4 | A104 | S102-A104 PolarHBondContact O-N 3.44Š|
| 103 | P | 48.7 | Very low | 46.7 | Very low | 110 Ų | 110 | 123.3 Ų | 123.3 | 71% | 0.714 | 68% | 0.68 | S | S | * | * | G | 310 helix | trans | -73.3 | -9.9 | -175 | 30.7 | -36.4 | 0 | 0 | 0 | 113.6 | F101 S105 L106 | F101-P103 VanDerWaalsContact O-CD 3.29Å; F101-P103 WeakPolarHBondContact O-CD 3.47Å; P103-S105 PolarHBondContact O-N 2.94Å; P103-S105 VanDerWaalsContact O-N 3.07Å; P103-L106 WeakPolarHBondContact O-CB 3.48Å; P103-L106 PolarHBondContact O-N 3.4Å |
| 104 | A | 41.5 | Very low | 48.8 | Very low | 87 Ų | 87 | 117.8 Ų | 117.8 | 72% | 0.719 | 67% | 0.666 | S | S | * | * | G | 310 helix | trans | -60.4 | -18.3 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115 | S102 | S102-A104 PolarHBondContact O-N 3.44Š|
| 105 | S | 46.1 | Very low | 51.4 | Low | 104 Ų | 104 | 115.7 Ų | 115.7 | 73% | 0.727 | 65% | 0.646 | S | S | * | * | G | 310 helix | trans | -99.4 | 4.9 | 176.1 | 58.5 | 0 | 0 | 0 | 0 | 114.5 | P103 L107 | P103-S105 PolarHBondContact O-N 2.94Å; P103-S105 VanDerWaalsContact O-N 3.07Å; S105-L107 PolarHBondContact O-N 3.06Å |
| 106 | L | 49.9 | Very low | 53.7 | Low | 61 Ų | 61 | 108.6 Ų | 108.6 | 32% | 0.319 | 61% | 0.608 | S | S | . | * | | | trans | -79.4 | 46.7 | 177.8 | -142.4 | 175.4 | 0 | 0 | 0 | 112 | P103 H108 R111 M112 L115 | P103-L106 WeakPolarHBondContact O-CB 3.48Å; P103-L106 PolarHBondContact O-N 3.4Å; L106-H108 PolarHBondContact O-N 3.47Å; L106-R111 HydrophobicContact CD2-CB 4Å; L106-M112 HydrophobicContact CB-CE 4.24Å; L106-M112 HydrophobicContact CD1-CE 4.2Å; L106-M112 HydrophobicContact CD1-CG 4.12Å; L106-M112 HydrophobicContact CD2-CE 4Å; L106-M112 HydrophobicContact CD2-CG 3.69Å; L106-M112 HydrophobicContact CG-CE 4.35Å; L106-L115 HydrophobicContact CD1-CD2 4.45Å |
| 107 | L | 46.1 | Very low | 56.2 | Low | 150 Ų | 150 | 108.8 Ų | 108.8 | 79% | 0.785 | 60% | 0.598 | S | S | * | * | | | trans | -80 | 51.6 | -171.1 | -65.8 | 177.7 | 0 | 0 | 0 | 114.1 | S105 | S105-L107 PolarHBondContact O-N 3.06Š|
| 108 | H | 48.3 | Very low | 58.7 | Low | 130 Ų | 130 | 106.7 Ų | 106.7 | 60% | 0.602 | 59% | 0.585 | S | S | * | * | | | trans | -156.8 | 117.7 | 153.4 | -127.8 | 69.2 | 0 | 0 | 0 | 111 | L106 D110 R111 | L106-H108 PolarHBondContact O-N 3.47Å; H108-D110 PolarHBondContact O-N 3.33Å; H108-D110 VanDerWaalsContact O-N 3.11Å; H108-R111 HydrophobicContact CB-CG 4.19Å; H108-R111 WeakPolarHBondContact O-CB 3.26Å; H108-R111 PolarHBondContact O-N 3.33Å |
| 109 | G | 59.8 | Low | 61.1 | Low | 50 Ų | 50 | 99.6 Ų | 99.6 | 52% | 0.515 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -57.5 | -31.4 | -171.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | R111 M112 | G109-R111 VanDerWaalsContact C-N 3.3Å; G109-R111 PolarHBondContact O-N 3.16Å; G109-M112 PolarHBondContact O-N 3.13Å |
| 110 | D | 62.7 | Low | 63.5 | Low | 90 Ų | 90 | 99.6 Ų | 99.6 | 48% | 0.481 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -72.9 | -18.6 | 179 | -64.7 | -50.2 | 0 | 0 | 0 | 114.2 | H108 M112 K113 | H108-D110 PolarHBondContact O-N 3.33Å; H108-D110 VanDerWaalsContact O-N 3.11Å; D110-M112 VanDerWaalsContact C-N 3.28Å; D110-M112 PolarHBondContact O-N 3.14Å; D110-K113 PolarHBondContact O-N 2.96Å; D110-K113 IonicContact OD1-NZ 3.69Å; D110-K113 PolarHBondContact OD1-NZ 3.46Å |
| 111 | R | 60.9 | Low | 65.9 | Low | 173 Ų | 173 | 92.8 Ų | 92.8 | 65% | 0.653 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -69.5 | -27.4 | 175 | -66.8 | -73.1 | 169.1 | 149.3 | -3.8 | 112 | L106 H108 G109 K113 L114 L115 | L106-R111 HydrophobicContact CD2-CB 4Å; H108-R111 HydrophobicContact CB-CG 4.19Å; H108-R111 WeakPolarHBondContact O-CB 3.26Å; H108-R111 PolarHBondContact O-N 3.33Å; G109-R111 VanDerWaalsContact C-N 3.3Å; G109-R111 PolarHBondContact O-N 3.16Å; R111-K113 PolarHBondContact O-N 3.45Å; R111-L114 PolarHBondContact O-N 3.32Å; R111-L115 WeakPolarHBondContact O-CB 3.22Å; R111-L115 PolarHBondContact O-N 2.95Å |
| 112 | M | 64.8 | Low | 68.4 | Low | 97 Ų | 97 | 87 Ų | 87 | 48% | 0.478 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.2 | -36.2 | 176.5 | -59.3 | -178.7 | -179.8 | 0 | 0 | 112.2 | L106 G109 D110 L115 | L106-M112 HydrophobicContact CB-CE 4.24Å; L106-M112 HydrophobicContact CD1-CE 4.2Å; L106-M112 HydrophobicContact CD1-CG 4.12Å; L106-M112 HydrophobicContact CD2-CE 4Å; L106-M112 HydrophobicContact CD2-CG 3.69Å; L106-M112 HydrophobicContact CG-CE 4.35Å; G109-M112 PolarHBondContact O-N 3.13Å; D110-M112 VanDerWaalsContact C-N 3.28Å; D110-M112 PolarHBondContact O-N 3.14Å; M112-L115 WeakPolarHBondContact O-CB 3.15Å; M112-L115 PolarHBondContact O-N 3.12Å |
| 113 | K | 72.6 | Confident | 71.1 | Confident | 122 Ų | 122 | 82.4 Ų | 82.4 | 53% | 0.53 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -68.5 | -33.8 | 176.8 | -64.8 | 170.4 | -171.3 | 155.2 | 0 | 112.8 | D110 R111 P117 | D110-K113 PolarHBondContact O-N 2.96Å; D110-K113 IonicContact OD1-NZ 3.69Å; D110-K113 PolarHBondContact OD1-NZ 3.46Å; R111-K113 PolarHBondContact O-N 3.45Å; K113-P117 WeakPolarHBondContact O-CD 3.42Å |
| 114 | L | 78 | Confident | 73.2 | Confident | 103 Ų | 103 | 80.5 Ų | 80.5 | 54% | 0.539 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -76.7 | -28.1 | 176 | -68.3 | 167.5 | 0 | 0 | 0 | 112.4 | R111 G116 P117 V118 | R111-L114 PolarHBondContact O-N 3.32Å; L114-G116 PolarHBondContact O-N 3.45Å; L114-P117 WeakPolarHBondContact O-CD 3.43Å; L114-V118 WeakPolarHBondContact O-CB 3.4Å; L114-V118 VanDerWaalsContact O-CG2 3.28Å; L114-V118 WeakPolarHBondContact O-CG2 3.25Å; L114-V118 PolarHBondContact O-N 3.21Å; L114-V118 VanDerWaalsContact O-N 3.14Å |
| 115 | L | 84.6 | Confident | 75.8 | Confident | 72 Ų | 72 | 83 Ų | 83 | 38% | 0.377 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -63.8 | -39.9 | -176.3 | -172.2 | 61.9 | 0 | 0 | 0 | 112.9 | L106 R111 M112 V118 I119 | L106-L115 HydrophobicContact CD1-CD2 4.45Å; R111-L115 WeakPolarHBondContact O-CB 3.22Å; R111-L115 PolarHBondContact O-N 2.95Å; M112-L115 WeakPolarHBondContact O-CB 3.15Å; M112-L115 PolarHBondContact O-N 3.12Å; L115-V118 PolarHBondContact O-N 3.45Å; L115-I119 HydrophobicContact CD1-CD1 3.79Å; L115-I119 HydrophobicContact CD1-CG1 4.1Å; L115-I119 HydrophobicContact CD2-CD1 4.39Å; L115-I119 HydrophobicContact CG-CD1 3.72Å; L115-I119 HydrophobicContact CG-CG1 4.36Å; L115-I119 WeakPolarHBondContact O-CB 3.42Å; L115-I119 WeakPolarHBondContact O-CG1 3.5Å; L115-I119 PolarHBondContact O-N 3.26Å |
| 116 | G | 86.6 | Confident | 77.9 | Confident | 0 Ų | 0 | 80.8 Ų | 80.8 | 0% | 0 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -57.6 | -59.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113 | L114 V118 I119 M120 | L114-G116 PolarHBondContact O-N 3.45Å; G116-V118 VanDerWaalsContact C-N 3.3Å; G116-V118 PolarHBondContact O-N 3.48Å; G116-I119 PolarHBondContact O-N 3.43Å; G116-M120 VanDerWaalsContact O-CB 3.27Å; G116-M120 WeakPolarHBondContact O-CB 3.49Å; G116-M120 PolarHBondContact O-N 3.25Å |
| 117 | P | 89.3 | Confident | 79.9 | Confident | 67 Ų | 67 | 79.5 Ų | 79.5 | 44% | 0.435 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -56.1 | -36.8 | 174.7 | -28.5 | 36.2 | 0 | 0 | 0 | 114.6 | K113 L114 G121 | K113-P117 WeakPolarHBondContact O-CD 3.42Å; L114-P117 WeakPolarHBondContact O-CD 3.43Å; P117-G121 PolarHBondContact O-N 3.32Å |
| 118 | V | 91.5 | Very high | 82.1 | Confident | 90 Ų | 90 | 77.1 Ų | 77.1 | 55% | 0.545 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -67.5 | -48.8 | 177.2 | 169 | 0 | 0 | 0 | 0 | 111.5 | L114 L115 G116 M120 G121 V122 | L114-V118 WeakPolarHBondContact O-CB 3.4Å; L114-V118 VanDerWaalsContact O-CG2 3.28Å; L114-V118 WeakPolarHBondContact O-CG2 3.25Å; L114-V118 PolarHBondContact O-N 3.21Å; L114-V118 VanDerWaalsContact O-N 3.14Å; L115-V118 PolarHBondContact O-N 3.45Å; G116-V118 VanDerWaalsContact C-N 3.3Å; G116-V118 PolarHBondContact O-N 3.48Å; V118-M120 VanDerWaalsContact C-N 3.33Å; V118-M120 PolarHBondContact O-N 3.44Å; V118-G121 PolarHBondContact O-N 3.39Å; V118-V122 WeakPolarHBondContact O-CG2 3.38Å; V118-V122 PolarHBondContact O-N 2.84Å |
| 119 | I | 89.9 | Confident | 84.1 | Confident | 45 Ų | 45 | 73.4 Ų | 73.4 | 23% | 0.231 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -64.3 | -40.4 | 177.2 | -68.1 | 173.3 | 0 | 0 | 0 | 110.7 | V54 L61 L115 G116 G121 V122 G123 | V54-I119 HydrophobicContact CG1-CG2 4.1Å; L61-I119 HydrophobicContact CD1-CD1 3.64Å; L115-I119 HydrophobicContact CD1-CD1 3.79Å; L115-I119 HydrophobicContact CD1-CG1 4.1Å; L115-I119 HydrophobicContact CD2-CD1 4.39Å; L115-I119 HydrophobicContact CG-CD1 3.72Å; L115-I119 HydrophobicContact CG-CG1 4.36Å; L115-I119 WeakPolarHBondContact O-CB 3.42Å; L115-I119 WeakPolarHBondContact O-CG1 3.5Å; L115-I119 PolarHBondContact O-N 3.26Å; G116-I119 PolarHBondContact O-N 3.43Å; I119-G121 PolarHBondContact O-N 3.41Å; I119-V122 PolarHBondContact O-N 2.88Å; I119-G123 PolarHBondContact O-N 3.37Å |
| 120 | M | 92 | Very high | 85.5 | Confident | 67 Ų | 67 | 71.4 Ų | 71.4 | 33% | 0.33 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -59.9 | -43.9 | 174.2 | -174.5 | -170.1 | 73.9 | 0 | 0 | 111.6 | G116 V118 G123 L124 | G116-M120 VanDerWaalsContact O-CB 3.27Å; G116-M120 WeakPolarHBondContact O-CB 3.49Å; G116-M120 PolarHBondContact O-N 3.25Å; V118-M120 VanDerWaalsContact C-N 3.33Å; V118-M120 PolarHBondContact O-N 3.44Å; M120-G123 PolarHBondContact O-N 2.93Å; M120-L124 HydrophobicContact CE-CD1 4.39Å; M120-L124 HydrophobicContact CG-CD1 4.01Å; M120-L124 WeakPolarHBondContact O-CB 3.44Å; M120-L124 VanDerWaalsContact O-CG 3.3Å; M120-L124 WeakPolarHBondContact O-CG 3.49Å; M120-L124 PolarHBondContact O-N 2.86Å |
| 121 | G | 93.7 | Very high | 86.7 | Confident | 36 Ų | 36 | 70.4 Ų | 70.4 | 37% | 0.371 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -63 | -43.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | P117 V118 I119 L124 F125 | P117-G121 PolarHBondContact O-N 3.32Å; V118-G121 PolarHBondContact O-N 3.39Å; I119-G121 PolarHBondContact O-N 3.41Å; G121-L124 PolarHBondContact O-N 2.82Å; G121-F125 WeakPolarHBondContact O-CB 3.32Å; G121-F125 PolarHBondContact O-N 3.12Å |
| 122 | V | 93.1 | Very high | 87.9 | Confident | 77 Ų | 77 | 66.2 Ų | 66.2 | 47% | 0.467 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -64.8 | -42.5 | 174.7 | 173.4 | 0 | 0 | 0 | 0 | 111.3 | V118 I119 F125 I126 | V118-V122 WeakPolarHBondContact O-CG2 3.38Å; V118-V122 PolarHBondContact O-N 2.84Å; I119-V122 PolarHBondContact O-N 2.88Å; V122-F125 PolarHBondContact O-N 2.98Å; V122-I126 HydrophobicContact CG1-CD1 3.89Å; V122-I126 WeakPolarHBondContact O-CG1 3.25Å; V122-I126 PolarHBondContact O-N 2.95Å |
| 123 | G | 93.5 | Very high | 88.8 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -61.3 | -43.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | I119 M120 I126 L127 | I119-G123 PolarHBondContact O-N 3.37Å; M120-G123 PolarHBondContact O-N 2.93Å; G123-I126 PolarHBondContact O-N 3.47Å; G123-L127 WeakPolarHBondContact O-CB 3.19Å; G123-L127 PolarHBondContact O-N 2.98Å |
| 124 | L | 93.6 | Very high | 89.2 | Confident | 70 Ų | 70 | 60.4 Ų | 60.4 | 37% | 0.366 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63.8 | -42.3 | 175.8 | -77.9 | 165.5 | 0 | 0 | 0 | 111.8 | V55 M120 G121 L127 I128 | V55-L124 HydrophobicContact CG2-CD2 4.32Å; V55-L124 HydrophobicContact CG2-CG 4.14Å; M120-L124 HydrophobicContact CE-CD1 4.39Å; M120-L124 HydrophobicContact CG-CD1 4.01Å; M120-L124 WeakPolarHBondContact O-CB 3.44Å; M120-L124 VanDerWaalsContact O-CG 3.3Å; M120-L124 WeakPolarHBondContact O-CG 3.49Å; M120-L124 PolarHBondContact O-N 2.86Å; G121-L124 PolarHBondContact O-N 2.82Å; L124-L127 PolarHBondContact O-N 2.99Å; L124-I128 WeakPolarHBondContact O-CB 3.02Å; L124-I128 VanDerWaalsContact O-CG1 3.25Å; L124-I128 WeakPolarHBondContact O-CG1 3.46Å; L124-I128 PolarHBondContact O-N 3.38Å |
| 125 | F | 95.1 | Very high | 89 | Confident | 139 Ų | 139 | 64.2 Ų | 64.2 | 61% | 0.61 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -59.6 | -50.7 | 175 | 176.9 | -102.7 | 0 | 0 | 0 | 111.5 | G121 V122 L127 I128 C129 | G121-F125 WeakPolarHBondContact O-CB 3.32Å; G121-F125 PolarHBondContact O-N 3.12Å; V122-F125 PolarHBondContact O-N 2.98Å; F125-L127 VanDerWaalsContact C-N 3.31Å; F125-L127 PolarHBondContact O-N 3.25Å; F125-I128 PolarHBondContact O-N 2.73Å; F125-C129 PolarHBondContact O-N 3.1Å; F125-C129 PolarHBondContact O-SG 2.87Å; F125-C129 VanDerWaalsContact O-SG 3.4Å |
| 126 | I | 90.9 | Very high | 88.7 | Confident | 57 Ų | 57 | 65.8 Ų | 65.8 | 29% | 0.292 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -59.5 | -42.8 | 176.4 | -67 | 166.5 | 0 | 0 | 0 | 110.9 | V122 G123 C129 A130 | V122-I126 HydrophobicContact CG1-CD1 3.89Å; V122-I126 WeakPolarHBondContact O-CG1 3.25Å; V122-I126 PolarHBondContact O-N 2.95Å; G123-I126 PolarHBondContact O-N 3.47Å; I126-C129 PolarHBondContact O-N 3.05Å; I126-A130 VanDerWaalsContact O-CB 3.24Å; I126-A130 WeakPolarHBondContact O-CB 3.37Å; I126-A130 PolarHBondContact O-N 3.33Å |
| 127 | L | 91.5 | Very high | 87.9 | Confident | 35 Ų | 35 | 69.4 Ų | 69.4 | 18% | 0.183 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -66.2 | -36.1 | 179 | 180 | 145.8 | 0 | 0 | 0 | 112.4 | L48 V52 V55 G123 L124 F125 N131 | L48-L127 HydrophobicContact CD1-CD1 4.43Å; L48-L127 HydrophobicContact CD1-CG 4.06Å; V52-L127 HydrophobicContact CG2-CD1 3.64Å; V55-L127 HydrophobicContact CG2-CD1 4.41Å; G123-L127 WeakPolarHBondContact O-CB 3.19Å; G123-L127 PolarHBondContact O-N 2.98Å; L124-L127 PolarHBondContact O-N 2.99Å; F125-L127 VanDerWaalsContact C-N 3.31Å; F125-L127 PolarHBondContact O-N 3.25Å; L127-N131 VanDerWaalsContact CD2-ND2 3.35Å; L127-N131 WeakPolarHBondContact CD2-ND2 3.43Å; L127-N131 VanDerWaalsContact O-CB 3.28Å; L127-N131 WeakPolarHBondContact O-CB 3.26Å; L127-N131 PolarHBondContact O-N 3.41Å; L127-N131 PolarHBondContact O-ND2 3.46Å |
| 128 | I | 92.6 | Very high | 86.9 | Confident | 99 Ų | 99 | 72.6 Ų | 72.6 | 51% | 0.508 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -70.4 | -47.6 | 175.2 | -69.9 | 164.1 | 0 | 0 | 0 | 110.2 | L124 F125 A130 N131 T132 | L124-I128 WeakPolarHBondContact O-CB 3.02Å; L124-I128 VanDerWaalsContact O-CG1 3.25Å; L124-I128 WeakPolarHBondContact O-CG1 3.46Å; L124-I128 PolarHBondContact O-N 3.38Å; F125-I128 PolarHBondContact O-N 2.73Å; I128-A130 VanDerWaalsContact C-N 3.34Å; I128-A130 PolarHBondContact O-N 2.63Å; I128-N131 PolarHBondContact O-N 3.49Å; I128-N131 VanDerWaalsContact O-N 3.12Å; I128-T132 PolarHBondContact O-N 3.03Å; I128-T132 PolarHBondContact O-OG1 2.92Å |
| 129 | C | 89.7 | Confident | 85.4 | Confident | 52 Ų | 52 | 71.7 Ų | 71.7 | 35% | 0.351 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62.2 | -38.4 | 176.4 | -67.6 | 0 | 0 | 0 | 0 | 112.7 | F125 I126 T132 V133 | F125-C129 PolarHBondContact O-N 3.1Å; F125-C129 PolarHBondContact O-SG 2.87Å; F125-C129 VanDerWaalsContact O-SG 3.4Å; I126-C129 PolarHBondContact O-N 3.05Å; C129-T132 PolarHBondContact O-OG1 3.45Å; C129-T132 VanDerWaalsContact O-OG1 3.09Å; C129-V133 WeakPolarHBondContact O-CG2 3.32Å; C129-V133 PolarHBondContact O-N 2.94Å |
| 130 | A | 89 | Confident | 83.9 | Confident | 8 Ų | 8 | 76.9 Ų | 76.9 | 7% | 0.066 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -66.7 | -38.6 | 173 | 0 | 0 | 0 | 0 | 0 | 111.7 | F47 L48 I126 I128 L134 | F47-A130 HydrophobicContact CB-CB 4.01Å; L48-A130 HydrophobicContact CB-CB 4.26Å; I126-A130 VanDerWaalsContact O-CB 3.24Å; I126-A130 WeakPolarHBondContact O-CB 3.37Å; I126-A130 PolarHBondContact O-N 3.33Å; I128-A130 VanDerWaalsContact C-N 3.34Å; I128-A130 PolarHBondContact O-N 2.63Å; A130-L134 VanDerWaalsContact O-CB 3.25Å; A130-L134 WeakPolarHBondContact O-CB 3.4Å; A130-L134 WeakPolarHBondContact O-CG 3.41Å; A130-L134 PolarHBondContact O-N 3.5Å |
| 131 | N | 87.4 | Confident | 82.5 | Confident | 69 Ų | 69 | 79.1 Ų | 79.1 | 37% | 0.369 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -68.3 | -38.9 | 176.8 | -86.1 | -49.9 | 0 | 0 | 0 | 113.2 | L127 I128 L134 Y135 | L127-N131 VanDerWaalsContact CD2-ND2 3.35Å; L127-N131 WeakPolarHBondContact CD2-ND2 3.43Å; L127-N131 VanDerWaalsContact O-CB 3.28Å; L127-N131 WeakPolarHBondContact O-CB 3.26Å; L127-N131 PolarHBondContact O-N 3.41Å; L127-N131 PolarHBondContact O-ND2 3.46Å; I128-N131 PolarHBondContact O-N 3.49Å; I128-N131 VanDerWaalsContact O-N 3.12Å; N131-L134 PolarHBondContact O-N 3.46Å; N131-Y135 VanDerWaalsContact O-CB 3.29Å; N131-Y135 WeakPolarHBondContact O-CB 3.5Å; N131-Y135 PolarHBondContact O-N 3.21Å |
| 132 | T | 86.1 | Confident | 80.8 | Confident | 85 Ų | 85 | 80.6 Ų | 80.6 | 52% | 0.521 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -66.9 | -45 | 176.8 | 52.8 | 0 | 0 | 0 | 0 | 111.4 | I128 C129 L134 Y135 E136 | I128-T132 PolarHBondContact O-N 3.03Å; I128-T132 PolarHBondContact O-OG1 2.92Å; C129-T132 PolarHBondContact O-OG1 3.45Å; C129-T132 VanDerWaalsContact O-OG1 3.09Å; T132-L134 VanDerWaalsContact C-N 3.32Å; T132-L134 PolarHBondContact O-N 3.35Å; T132-Y135 PolarHBondContact O-N 2.91Å; T132-Y135 VanDerWaalsContact O-N 3.16Å; T132-E136 PolarHBondContact O-N 3.23Å |
| 133 | V | 84.7 | Confident | 79 | Confident | 69 Ų | 69 | 81.2 Ų | 81.2 | 42% | 0.418 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -64.2 | -36.1 | 174.9 | 175.5 | 0 | 0 | 0 | 0 | 111.6 | P44 C129 N137 | P44-V133 HydrophobicContact CB-CG1 4.08Å; C129-V133 WeakPolarHBondContact O-CG2 3.32Å; C129-V133 PolarHBondContact O-N 2.94Å; V133-N137 WeakPolarHBondContact O-CB 3.38Å; V133-N137 PolarHBondContact O-N 3.31Å; V133-N137 VanDerWaalsContact O-N 3.12Å; V133-N137 PolarHBondContact O-ND2 3.12Å |
| 134 | L | 79.7 | Confident | 77.2 | Confident | 28 Ų | 28 | 87.7 Ų | 87.7 | 15% | 0.147 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -67.6 | -39.1 | 171.4 | -85.5 | 174 | 0 | 0 | 0 | 112.9 | P44 L48 A130 N131 T132 N137 R138 | P44-L134 HydrophobicContact CB-CD2 3.72Å; P44-L134 HydrophobicContact CB-CG 3.92Å; P44-L134 HydrophobicContact CG-CD2 3.82Å; L48-L134 HydrophobicContact CB-CD1 3.6Å; L48-L134 HydrophobicContact CD2-CD1 3.49Å; L48-L134 VanDerWaalsContact CD2-CD1 3.49Å; L48-L134 HydrophobicContact CG-CD1 4.09Å; A130-L134 VanDerWaalsContact O-CB 3.25Å; A130-L134 WeakPolarHBondContact O-CB 3.4Å; A130-L134 WeakPolarHBondContact O-CG 3.41Å; A130-L134 PolarHBondContact O-N 3.5Å; N131-L134 PolarHBondContact O-N 3.46Å; T132-L134 VanDerWaalsContact C-N 3.32Å; T132-L134 PolarHBondContact O-N 3.35Å; L134-N137 PolarHBondContact O-N 2.95Å; L134-R138 WeakPolarHBondContact O-CB 3.39Å; L134-R138 PolarHBondContact O-N 2.81Å |
| 135 | Y | 74.8 | Confident | 75.6 | Confident | 183 Ų | 183 | 90.1 Ų | 90.1 | 72% | 0.718 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -65.8 | -44.6 | -179.7 | -164.3 | -88.2 | 0 | 0 | 0 | 110.5 | N131 T132 R138 D139 | N131-Y135 VanDerWaalsContact O-CB 3.29Å; N131-Y135 WeakPolarHBondContact O-CB 3.5Å; N131-Y135 PolarHBondContact O-N 3.21Å; T132-Y135 PolarHBondContact O-N 2.91Å; T132-Y135 VanDerWaalsContact O-N 3.16Å; Y135-R138 PolarHBondContact O-N 3.16Å; Y135-D139 PolarHBondContact O-N 3.43Å |
| 136 | E | 77.4 | Confident | 73.9 | Confident | 105 Ų | 105 | 87.9 Ų | 87.9 | 49% | 0.491 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -60.2 | -50.5 | 173.7 | -167 | -168.6 | 161.6 | 0 | 0 | 111.5 | T132 R138 D139 R140 | T132-E136 PolarHBondContact O-N 3.23Å; E136-R138 VanDerWaalsContact C-N 3.31Å; E136-R138 PolarHBondContact O-N 2.83Å; E136-D139 PolarHBondContact O-N 3.46Å; E136-R140 WeakPolarHBondContact O-CG 3.28Å; E136-R140 PolarHBondContact O-N 3.09Å; E136-R140 IonicContact OE1-CZ 2.87Å; E136-R140 IonicContact OE1-NE 3.61Å; E136-R140 IonicContact OE1-NH2 3.33Å; E136-R140 PolarHBondContact OE1-NH2 2.89Å |
| 137 | N | 70.9 | Confident | 72.5 | Confident | 77 Ų | 77 | 87.1 Ų | 87.1 | 41% | 0.412 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -64 | -35.4 | 179.7 | -82.5 | -83.4 | 0 | 0 | 0 | 112.8 | V133 L134 R140 E141 | V133-N137 WeakPolarHBondContact O-CB 3.38Å; V133-N137 PolarHBondContact O-N 3.31Å; V133-N137 VanDerWaalsContact O-N 3.12Å; V133-N137 PolarHBondContact O-ND2 3.12Å; L134-N137 PolarHBondContact O-N 2.95Å; N137-R140 WeakPolarHBondContact O-CB 3.41Å; N137-R140 PolarHBondContact O-N 2.89Å; N137-E141 PolarHBondContact O-N 2.98Å; N137-E141 VanDerWaalsContact O-N 3.1Å |
| 138 | R | 67.3 | Low | 70.9 | Confident | 134 Ų | 134 | 91.2 Ų | 91.2 | 51% | 0.506 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -72.9 | -36.8 | 178.7 | -159.6 | -172.3 | -158.3 | 110.4 | -1.2 | 111.8 | L134 Y135 E136 E141 T142 | L134-R138 WeakPolarHBondContact O-CB 3.39Å; L134-R138 PolarHBondContact O-N 2.81Å; Y135-R138 PolarHBondContact O-N 3.16Å; E136-R138 VanDerWaalsContact C-N 3.31Å; E136-R138 PolarHBondContact O-N 2.83Å; R138-E141 PolarHBondContact O-N 2.9Å; R138-T142 PolarHBondContact O-N 3.09Å; R138-T142 PolarHBondContact O-OG1 2.9Å; R138-T142 VanDerWaalsContact O-OG1 3.12Å |
| 139 | D | 60.2 | Low | 69.3 | Low | 70 Ų | 70 | 92.8 Ų | 92.8 | 37% | 0.374 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -63.5 | -43.3 | 171.3 | -168 | 53.1 | 0 | 0 | 0 | 110.4 | Y135 E136 E141 T142 Q143 | Y135-D139 PolarHBondContact O-N 3.43Å; E136-D139 PolarHBondContact O-N 3.46Å; D139-E141 VanDerWaalsContact C-N 3.29Å; D139-E141 PolarHBondContact O-N 3.41Å; D139-T142 WeakPolarHBondContact CA-OG1 3.29Å; D139-T142 PolarHBondContact O-N 3.02Å; D139-T142 PolarHBondContact O-OG1 3.36Å; D139-T142 VanDerWaalsContact O-OG1 3.14Å; D139-Q143 VanDerWaalsContact O-CB 3.25Å; D139-Q143 WeakPolarHBondContact O-CB 3.29Å; D139-Q143 WeakPolarHBondContact O-CG 3.35Å; D139-Q143 PolarHBondContact O-N 3.03Å; D139-Q143 VanDerWaalsContact OD2-CG 3.26Å; D139-Q143 WeakPolarHBondContact OD2-CG 3.35Å; D139-Q143 PolarHBondContact OD2-NE2 3.22Å |
| 140 | R | 59.5 | Low | 67.9 | Low | 155 Ų | 155 | 97.3 Ų | 97.3 | 59% | 0.585 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -54 | -43 | 173.9 | -60.3 | -92.9 | -172.6 | 171.7 | 3.5 | 112.2 | E136 N137 M144 | E136-R140 WeakPolarHBondContact O-CG 3.28Å; E136-R140 PolarHBondContact O-N 3.09Å; E136-R140 IonicContact OE1-CZ 2.87Å; E136-R140 IonicContact OE1-NE 3.61Å; E136-R140 IonicContact OE1-NH2 3.33Å; E136-R140 PolarHBondContact OE1-NH2 2.89Å; N137-R140 WeakPolarHBondContact O-CB 3.41Å; N137-R140 PolarHBondContact O-N 2.89Å; R140-M144 VanDerWaalsContact O-CB 3.23Å; R140-M144 WeakPolarHBondContact O-CB 3.33Å; R140-M144 PolarHBondContact O-N 3.43Å |
| 141 | E | 61.8 | Low | 66.5 | Low | 114 Ų | 114 | 101.6 Ų | 101.6 | 53% | 0.533 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.7 | -45 | 174.8 | -72.6 | -177.1 | 177 | 0 | 0 | 112.4 | N137 R138 D139 L145 | N137-E141 PolarHBondContact O-N 2.98Å; N137-E141 VanDerWaalsContact O-N 3.1Å; R138-E141 PolarHBondContact O-N 2.9Å; D139-E141 VanDerWaalsContact C-N 3.29Å; D139-E141 PolarHBondContact O-N 3.41Å; E141-L145 WeakPolarHBondContact O-CG 3.24Å; E141-L145 PolarHBondContact O-N 3.21Å; E141-L145 VanDerWaalsContact O-N 3.13Å |
| 142 | T | 57.5 | Low | 65.2 | Low | 66 Ų | 66 | 102.1 Ų | 102.1 | 41% | 0.405 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -73.2 | -35.5 | 179 | 43.3 | 0 | 0 | 0 | 0 | 113.8 | R138 D139 L145 L146 | R138-T142 PolarHBondContact O-N 3.09Å; R138-T142 PolarHBondContact O-OG1 2.9Å; R138-T142 VanDerWaalsContact O-OG1 3.12Å; D139-T142 WeakPolarHBondContact CA-OG1 3.29Å; D139-T142 PolarHBondContact O-N 3.02Å; D139-T142 PolarHBondContact O-OG1 3.36Å; D139-T142 VanDerWaalsContact O-OG1 3.14Å; T142-L145 PolarHBondContact O-N 2.76Å; T142-L146 WeakPolarHBondContact O-CB 3.35Å; T142-L146 WeakPolarHBondContact O-CG 3.49Å; T142-L146 PolarHBondContact O-N 3.29Å |
| 143 | Q | 55 | Low | 63.8 | Low | 91 Ų | 91 | 103.5 Ų | 103.5 | 43% | 0.425 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.1 | -43.6 | 172.5 | -66.6 | -87.3 | 12.8 | 0 | 0 | 110.3 | D139 L146 A147 | D139-Q143 VanDerWaalsContact O-CB 3.25Å; D139-Q143 WeakPolarHBondContact O-CB 3.29Å; D139-Q143 WeakPolarHBondContact O-CG 3.35Å; D139-Q143 PolarHBondContact O-N 3.03Å; D139-Q143 VanDerWaalsContact OD2-CG 3.26Å; D139-Q143 WeakPolarHBondContact OD2-CG 3.35Å; D139-Q143 PolarHBondContact OD2-NE2 3.22Å; Q143-L146 PolarHBondContact O-N 3.46Å; Q143-A147 VanDerWaalsContact O-CB 3.26Å; Q143-A147 WeakPolarHBondContact O-CB 3.45Å; Q143-A147 PolarHBondContact O-N 3.34Å |
| 144 | M | 57 | Low | 62.1 | Low | 135 Ų | 135 | 104 Ų | 104 | 67% | 0.665 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -67.3 | -37.6 | 179 | -164.2 | -178.6 | -58 | 0 | 0 | 112.2 | R140 A147 Q148 | R140-M144 VanDerWaalsContact O-CB 3.23Å; R140-M144 WeakPolarHBondContact O-CB 3.33Å; R140-M144 PolarHBondContact O-N 3.43Å; M144-A147 PolarHBondContact O-N 2.75Å; M144-Q148 PolarHBondContact O-N 3.37Å |
| 145 | L | 59.4 | Low | 60.8 | Low | 122 Ų | 122 | 106 Ų | 106 | 64% | 0.639 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -68.2 | -39.1 | 172.4 | -70.8 | 170.8 | 0 | 0 | 0 | 112.5 | E141 T142 Q148 M149 | E141-L145 WeakPolarHBondContact O-CG 3.24Å; E141-L145 PolarHBondContact O-N 3.21Å; E141-L145 VanDerWaalsContact O-N 3.13Å; T142-L145 PolarHBondContact O-N 2.76Å; L145-Q148 PolarHBondContact O-N 3.14Å; L145-M149 WeakPolarHBondContact O-CG 3.29Å; L145-M149 PolarHBondContact O-N 3.35Å |
| 146 | L | 60.3 | Low | 59.5 | Low | 92 Ų | 92 | 102.2 Ų | 102.2 | 48% | 0.482 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -69.6 | -34.2 | 173.9 | -77 | 169.7 | 0 | 0 | 0 | 112.5 | T142 Q143 M149 R150 | T142-L146 WeakPolarHBondContact O-CB 3.35Å; T142-L146 WeakPolarHBondContact O-CG 3.49Å; T142-L146 PolarHBondContact O-N 3.29Å; Q143-L146 PolarHBondContact O-N 3.46Å; L146-M149 PolarHBondContact O-N 3.33Å; L146-R150 WeakPolarHBondContact O-CB 3.37Å; L146-R150 VanDerWaalsContact O-CG 3.27Å; L146-R150 WeakPolarHBondContact O-CG 3.34Å; L146-R150 PolarHBondContact O-N 2.94Å |
| 147 | A | 59.6 | Low | 58 | Low | 40 Ų | 40 | 101.5 Ų | 101.5 | 33% | 0.331 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -67.5 | -42.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q143 M144 R150 N151 | Q143-A147 VanDerWaalsContact O-CB 3.26Å; Q143-A147 WeakPolarHBondContact O-CB 3.45Å; Q143-A147 PolarHBondContact O-N 3.34Å; M144-A147 PolarHBondContact O-N 2.75Å; A147-R150 PolarHBondContact O-N 3.43Å; A147-N151 WeakPolarHBondContact O-CB 3.36Å; A147-N151 PolarHBondContact O-N 3.26Å; A147-N151 PolarHBondContact O-OD1 3.23Å |
| 148 | Q | 58.8 | Low | 56.5 | Low | 122 Ų | 122 | 102 Ų | 102 | 57% | 0.57 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -56.7 | -49.7 | 169.6 | -90.7 | -78.5 | -69.2 | 0 | 0 | 111.8 | M144 L145 R150 N151 V152 | M144-Q148 PolarHBondContact O-N 3.37Å; L145-Q148 PolarHBondContact O-N 3.14Å; Q148-R150 PolarHBondContact O-N 2.9Å; Q148-N151 PolarHBondContact O-N 3Å; Q148-V152 WeakPolarHBondContact O-CG2 3.47Å; Q148-V152 PolarHBondContact O-N 3.4Å |
| 149 | M | 58.3 | Low | 55 | Low | 131 Ų | 131 | 98.8 Ų | 98.8 | 65% | 0.645 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -59.1 | -46.1 | 176.7 | -75.4 | -68.5 | -158.2 | 0 | 0 | 112.5 | L145 L146 V152 I153 | L145-M149 WeakPolarHBondContact O-CG 3.29Å; L145-M149 PolarHBondContact O-N 3.35Å; L146-M149 PolarHBondContact O-N 3.33Å; M149-V152 PolarHBondContact O-N 2.85Å; M149-I153 WeakPolarHBondContact O-CD1 3.33Å; M149-I153 VanDerWaalsContact O-CG1 3.29Å; M149-I153 WeakPolarHBondContact O-CG1 3.43Å; M149-I153 PolarHBondContact O-N 3.48Å; M149-I153 VanDerWaalsContact O-N 3.09Å |
| 150 | R | 61.5 | Low | 54 | Low | 147 Ų | 147 | 101.1 Ų | 101.1 | 56% | 0.555 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -60.5 | -46.1 | 176 | -75.4 | 168.6 | 177.6 | 151.5 | -2 | 111.6 | L146 A147 Q148 V152 I153 C154 | L146-R150 WeakPolarHBondContact O-CB 3.37Å; L146-R150 VanDerWaalsContact O-CG 3.27Å; L146-R150 WeakPolarHBondContact O-CG 3.34Å; L146-R150 PolarHBondContact O-N 2.94Å; A147-R150 PolarHBondContact O-N 3.43Å; Q148-R150 PolarHBondContact O-N 2.9Å; R150-V152 VanDerWaalsContact C-N 3.34Å; R150-V152 PolarHBondContact O-N 3.42Å; R150-I153 PolarHBondContact O-N 2.87Å; R150-C154 PolarHBondContact O-N 2.88Å; R150-C154 PolarHBondContact O-SG 3.49Å |
| 151 | N | 58.4 | Low | 52.8 | Low | 99 Ų | 99 | 99.4 Ų | 99.4 | 53% | 0.529 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -64.5 | -37 | -179.3 | -71.4 | 4.9 | 0 | 0 | 0 | 112.2 | A147 Q148 C154 S155 | A147-N151 WeakPolarHBondContact O-CB 3.36Å; A147-N151 PolarHBondContact O-N 3.26Å; A147-N151 PolarHBondContact O-OD1 3.23Å; Q148-N151 PolarHBondContact O-N 3Å; N151-C154 PolarHBondContact O-N 2.81Å; N151-S155 WeakPolarHBondContact O-CB 3.25Å; N151-S155 PolarHBondContact O-N 3.44Å; N151-S155 PolarHBondContact O-OG 3.38Å |
| 152 | V | 60 | Low | 51.9 | Low | 79 Ų | 79 | 99.1 Ų | 99.1 | 48% | 0.479 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -65.9 | -41.4 | 173.8 | 171.5 | 0 | 0 | 0 | 0 | 111.6 | Q148 M149 R150 S155 V156 | Q148-V152 WeakPolarHBondContact O-CG2 3.47Å; Q148-V152 PolarHBondContact O-N 3.4Å; M149-V152 PolarHBondContact O-N 2.85Å; R150-V152 VanDerWaalsContact C-N 3.34Å; R150-V152 PolarHBondContact O-N 3.42Å; V152-S155 WeakPolarHBondContact CA-OG 3.35Å; V152-S155 PolarHBondContact O-N 2.86Å; V152-S155 PolarHBondContact O-OG 3.48Å; V152-V156 WeakPolarHBondContact O-CG2 3.45Å; V152-V156 PolarHBondContact O-N 3.39Å; V152-V156 VanDerWaalsContact O-N 3.07Å |
| 153 | I | 57.9 | Low | 50.8 | Low | 114 Ų | 114 | 100.6 Ų | 100.6 | 59% | 0.585 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -63.7 | -42.2 | 175.3 | -66.3 | 162.8 | 0 | 0 | 0 | 110.5 | M149 R150 S157 | M149-I153 WeakPolarHBondContact O-CD1 3.33Å; M149-I153 VanDerWaalsContact O-CG1 3.29Å; M149-I153 WeakPolarHBondContact O-CG1 3.43Å; M149-I153 PolarHBondContact O-N 3.48Å; M149-I153 VanDerWaalsContact O-N 3.09Å; R150-I153 PolarHBondContact O-N 2.87Å; I153-S157 WeakPolarHBondContact O-CB 3.46Å; I153-S157 PolarHBondContact O-N 2.98Å; I153-S157 PolarHBondContact O-OG 2.94Å |
| 154 | C | 48.6 | Very low | 49.8 | Very low | 79 Ų | 79 | 99.8 Ų | 99.8 | 53% | 0.534 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -68 | -40.7 | 176.8 | -67 | 0 | 0 | 0 | 0 | 112.6 | R150 N151 V156 S157 A158 | R150-C154 PolarHBondContact O-N 2.88Å; R150-C154 PolarHBondContact O-SG 3.49Å; N151-C154 PolarHBondContact O-N 2.81Å; C154-V156 VanDerWaalsContact C-N 3.33Å; C154-V156 PolarHBondContact O-N 3.33Å; C154-S157 WeakPolarHBondContact O-CB 3.21Å; C154-S157 PolarHBondContact O-N 3.35Å; C154-S157 VanDerWaalsContact O-N 3.14Å; C154-A158 PolarHBondContact O-N 2.94Å |
| 155 | S | 51.9 | Low | 48.5 | Very low | 70 Ų | 70 | 100.7 Ų | 100.7 | 49% | 0.49 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -67.1 | -33.4 | 178.1 | 62.1 | 0 | 0 | 0 | 0 | 112.8 | N151 V152 A159 | N151-S155 WeakPolarHBondContact O-CB 3.25Å; N151-S155 PolarHBondContact O-N 3.44Å; N151-S155 PolarHBondContact O-OG 3.38Å; V152-S155 WeakPolarHBondContact CA-OG 3.35Å; V152-S155 PolarHBondContact O-N 2.86Å; V152-S155 PolarHBondContact O-OG 3.48Å; S155-A159 PolarHBondContact O-N 2.86Å |
| 156 | V | 48.1 | Very low | 47.8 | Very low | 104 Ų | 104 | 106.2 Ų | 106.2 | 63% | 0.63 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -71.6 | -33.3 | 172.2 | 172.9 | 0 | 0 | 0 | 0 | 111.2 | V152 C154 A158 A159 | V152-V156 WeakPolarHBondContact O-CG2 3.45Å; V152-V156 PolarHBondContact O-N 3.39Å; V152-V156 VanDerWaalsContact O-N 3.07Å; C154-V156 VanDerWaalsContact C-N 3.33Å; C154-V156 PolarHBondContact O-N 3.33Å; V156-A158 VanDerWaalsContact C-N 3.32Å; V156-A158 PolarHBondContact O-N 3.23Å; V156-A159 PolarHBondContact O-N 3.4Å |
| 157 | S | 45.5 | Very low | 46.7 | Very low | 90 Ų | 90 | 107.4 Ų | 107.4 | 63% | 0.629 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -71.3 | -23.6 | 176.2 | -56.9 | 0 | 0 | 0 | 0 | 113.8 | I153 C154 | I153-S157 WeakPolarHBondContact O-CB 3.46Å; I153-S157 PolarHBondContact O-N 2.98Å; I153-S157 PolarHBondContact O-OG 2.94Å; C154-S157 WeakPolarHBondContact O-CB 3.21Å; C154-S157 PolarHBondContact O-N 3.35Å; C154-S157 VanDerWaalsContact O-N 3.14Å |
| 158 | A | 40.5 | Very low | 45.8 | Very low | 88 Ų | 88 | 112.9 Ų | 112.9 | 73% | 0.727 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -86.2 | -16.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | C154 V156 V160 | C154-A158 PolarHBondContact O-N 2.94Å; V156-A158 VanDerWaalsContact C-N 3.32Å; V156-A158 PolarHBondContact O-N 3.23Å; A158-V160 PolarHBondContact O-N 3.23Å |
| 159 | A | 34.1 | Very low | 44.8 | Very low | 66 Ų | 66 | 112 Ų | 112 | 55% | 0.545 | 68% | 0.675 | S | S | . | * | | | trans | -94.6 | 71.2 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | S155 V156 P161 | S155-A159 PolarHBondContact O-N 2.86Å; V156-A159 PolarHBondContact O-N 3.4Å; A159-P161 WeakPolarHBondContact O-CD 3.46Å |
| 160 | V | 39.3 | Very low | 43.9 | Very low | 120 Ų | 120 | 112.8 Ų | 112.8 | 73% | 0.727 | 69% | 0.686 | S | S | * | * | | | trans | -106.5 | 86.8 | 165.4 | -177 | 0 | 0 | 0 | 0 | 110.8 | A158 S162 | A158-V160 PolarHBondContact O-N 3.23Å; V160-S162 VanDerWaalsContact C-N 3.33Å; V160-S162 PolarHBondContact O-N 2.97Å |
| 161 | P | 34.6 | Very low | 42.9 | Very low | 119 Ų | 119 | 109.2 Ų | 109.2 | 77% | 0.773 | 69% | 0.688 | S | S | * | * | | | trans | -66.6 | 93.6 | 155 | -18 | 32.2 | 0 | 0 | 0 | 109.4 | A159 | A159-P161 WeakPolarHBondContact O-CD 3.46Š|
| 162 | S | 43.2 | Very low | 42 | Very low | 108 Ų | 108 | 111 Ų | 111 | 76% | 0.755 | 70% | 0.698 | S | S | * | * | | | trans | -64.6 | 133.9 | 163.2 | -173.6 | 0 | 0 | 0 | 0 | 109.2 | V160 | V160-S162 VanDerWaalsContact C-N 3.33Å; V160-S162 PolarHBondContact O-N 2.97Å |
| 163 | A | 35.5 | Very low | 40.8 | Very low | 97 Ų | 97 | 113 Ų | 113 | 80% | 0.802 | 72% | 0.715 | S | S | * | * | S | Bend | trans | 59.8 | 109.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 164 | G | 33.6 | Very low | 39.9 | Very low | 74 Ų | 74 | 115.7 Ų | 115.7 | 76% | 0.763 | 73% | 0.727 | S | S | * | * | | | trans | -179.7 | 96.4 | 170 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 165 | L | 29.2 | Very low | 39.4 | Very low | 154 Ų | 154 | 116.7 Ų | 116.7 | 81% | 0.806 | 73% | 0.732 | S | S | * | * | | | trans | 63.3 | 151.3 | 163.8 | -148 | 67.5 | 0 | 0 | 0 | 117.7 | D167 | L165-D167 HydrophobicContact CD2-CB 4.33Å; L165-D167 HydrophobicContact CG-CB 4.3Å |
| 166 | R | 44.6 | Very low | 38.6 | Very low | 237 Ų | 237 | 123.1 Ų | 123.1 | 89% | 0.894 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -108.8 | 5.4 | -178 | -70.3 | -174.6 | 169.3 | -161.1 | -3.8 | 113.7 | | |
| 167 | D | 37.4 | Very low | 37.9 | Very low | 117 Ų | 117 | 126 Ų | 126 | 63% | 0.626 | 76% | 0.757 | S | S | * | * | | | trans | -117.8 | 80.6 | -161 | -59.8 | -71.3 | 0 | 0 | 0 | 113.1 | L165 | L165-D167 HydrophobicContact CD2-CB 4.33Å; L165-D167 HydrophobicContact CG-CB 4.3Å |
| 168 | L | 41.1 | Very low | 37.4 | Very low | 155 Ų | 155 | 131.4 Ų | 131.4 | 81% | 0.812 | 77% | 0.765 | S | S | * | * | | | trans | -154.8 | 21.2 | 152.6 | -139.4 | 76.9 | 0 | 0 | 0 | 114.3 | V170 | L168-V170 PolarHBondContact O-N 3.21Š|
| 169 | A | 36.9 | Very low | 37.2 | Very low | 104 Ų | 104 | 134.9 Ų | 134.9 | 86% | 0.86 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.1 | 25.9 | -169.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 170 | V | 40.5 | Very low | 37 | Very low | 147 Ų | 147 | 142.1 Ų | 142.1 | 89% | 0.891 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.9 | -16.9 | -172.8 | -176.7 | 0 | 0 | 0 | 0 | 112.7 | L168 | L168-V170 PolarHBondContact O-N 3.21Š|
| 171 | A | 39.2 | Very low | 37 | Very low | 72 Ų | 72 | 142.8 Ų | 142.8 | 60% | 0.595 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -123 | 53.5 | -166.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 172 | N | 39.6 | Very low | 37.3 | Very low | 136 Ų | 136 | 142 Ų | 142 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | | | trans | -174.7 | 120.1 | 148.6 | -107.4 | -60.1 | 0 | 0 | 0 | 112.7 | | |
| 173 | S | 35.4 | Very low | 37.3 | Very low | 122 Ų | 122 | 141 Ų | 141 | 85% | 0.853 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -108 | 17.7 | -178.3 | 55.7 | 0 | 0 | 0 | 0 | 114.7 | | |
| 174 | M | 38 | Very low | 37.7 | Very low | 170 Ų | 170 | 141.6 Ų | 141.6 | 84% | 0.837 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -125.3 | 8.1 | -167.6 | -91 | -70.2 | -176.7 | 0 | 0 | 116.7 | | |
| 175 | T | 39.8 | Very low | 38.1 | Very low | 101 Ų | 101 | 143.3 Ų | 143.3 | 62% | 0.62 | 76% | 0.761 | S | S | * | * | | | trans | -113.2 | 12.7 | -170.5 | 36.1 | 0 | 0 | 0 | 0 | 116 | H177 | T175-H177 VanDerWaalsContact C-N 3.27Å; T175-H177 PolarHBondContact O-N 3.03Å |
| 176 | K | 34.5 | Very low | 39 | Very low | 205 Ų | 205 | 140.2 Ų | 140.2 | 89% | 0.891 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.2 | 2 | -170.1 | -90.1 | -171 | 173.8 | -176.8 | 0 | 118.1 | | |
| 177 | H | 34.3 | Very low | 38.9 | Very low | 165 Ų | 165 | 133.1 Ų | 133.1 | 76% | 0.764 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.8 | 1.5 | -165.7 | -139.5 | -57.3 | 0 | 0 | 0 | 117.5 | T175 | T175-H177 VanDerWaalsContact C-N 3.27Å; T175-H177 PolarHBondContact O-N 3.03Å |
| 178 | Y | 35 | Very low | 38.9 | Very low | 202 Ų | 202 | 132.6 Ų | 132.6 | 79% | 0.792 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -128.1 | 2 | -175.3 | -63.4 | -70.8 | 0 | 0 | 0 | 115.7 | W180 | Y178-W180 VanDerWaalsContact C-N 3.33Å; Y178-W180 PolarHBondContact O-N 3.44Å |
| 179 | Q | 34.7 | Very low | 39.3 | Very low | 162 Ų | 162 | 130.5 Ų | 130.5 | 76% | 0.757 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | -4.3 | -167.6 | -160.9 | 170.1 | 3.7 | 0 | 0 | 115.5 | | |
| 180 | W | 31.4 | Very low | 39.6 | Very low | 218 Ų | 218 | 131.8 Ų | 131.8 | 83% | 0.826 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.3 | -3.3 | -170.6 | -148.2 | 80.7 | 0 | 0 | 0 | 115.5 | Y178 | Y178-W180 VanDerWaalsContact C-N 3.33Å; Y178-W180 PolarHBondContact O-N 3.44Å |
| 181 | V | 38.8 | Very low | 39.9 | Very low | 133 Ų | 133 | 130 Ų | 130 | 81% | 0.806 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -103.9 | -4.6 | -174.7 | -168.3 | 0 | 0 | 0 | 0 | 112.6 | | |
| 182 | S | 40.2 | Very low | 39.9 | Very low | 103 Ų | 103 | 131.6 Ų | 131.6 | 72% | 0.72 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -93.1 | 8.4 | -175.7 | 50.4 | 0 | 0 | 0 | 0 | 115.2 | | |
| 183 | S | 43.2 | Very low | 40.1 | Very low | 88 Ų | 88 | 129.1 Ų | 129.1 | 62% | 0.615 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -127.2 | 41.4 | -171.5 | 67.9 | 0 | 0 | 0 | 0 | 115 | | |
| 184 | L | 44.8 | Very low | 40.3 | Very low | 108 Ų | 108 | 129.6 Ų | 129.6 | 57% | 0.565 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -132.5 | 137.3 | 162.8 | -78.1 | 95.2 | 0 | 0 | 0 | 110.9 | | |
| 185 | P | 42.1 | Very low | 40.3 | Very low | 111 Ų | 111 | 127.8 Ų | 127.8 | 72% | 0.721 | 68% | 0.679 | S | S | * | * | | | trans | -59.6 | 138.2 | 174.7 | -25.2 | 35.3 | 0 | 0 | 0 | 113 | A187 H188 | P185-A187 PolarHBondContact O-N 3.39Å; P185-H188 PolarHBondContact O-N 3.35Å |
| 186 | A | 48.2 | Very low | 40 | Very low | 88 Ų | 88 | 130.6 Ų | 130.6 | 73% | 0.727 | 69% | 0.685 | S | S | * | * | G | 310 helix | trans | -59.6 | -18.2 | -166.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | H188 | A186-H188 VanDerWaalsContact C-N 3.3Å; A186-H188 PolarHBondContact O-N 3.23Å |
| 187 | A | 42.4 | Very low | 40.1 | Very low | 88 Ų | 88 | 127.7 Ų | 127.7 | 73% | 0.727 | 68% | 0.679 | S | S | * | * | G | 310 helix | trans | -62.4 | -30.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114 | P185 L189 | P185-A187 PolarHBondContact O-N 3.39Å; A187-L189 PolarHBondContact O-N 2.91Å |
| 188 | H | 37.6 | Very low | 40.1 | Very low | 106 Ų | 106 | 123.6 Ų | 123.6 | 49% | 0.491 | 67% | 0.674 | S | S | . | * | G | 310 helix | trans | -82.7 | -13.2 | -169.9 | -153.6 | -80.4 | 0 | 0 | 0 | 114.5 | P185 A186 | P185-H188 PolarHBondContact O-N 3.35Å; A186-H188 VanDerWaalsContact C-N 3.3Å; A186-H188 PolarHBondContact O-N 3.23Å |
| 189 | L | 48.4 | Very low | 40 | Very low | 111 Ų | 111 | 119.1 Ų | 119.1 | 58% | 0.581 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -77.3 | -26.4 | -176.4 | -64.5 | 179 | 0 | 0 | 0 | 113.3 | A187 I191 | A187-L189 PolarHBondContact O-N 2.91Å; L189-I191 VanDerWaalsContact C-N 3.3Å; L189-I191 PolarHBondContact O-N 2.83Å |
| 190 | N | 43.1 | Very low | 39.7 | Very low | 131 Ų | 131 | 117 Ų | 117 | 70% | 0.701 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -71.6 | -25.2 | -176.9 | -150.3 | 14.7 | 0 | 0 | 0 | 112.7 | | |
| 191 | I | 46.9 | Very low | 39.5 | Very low | 110 Ų | 110 | 115.8 Ų | 115.8 | 56% | 0.564 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -79.8 | -45.6 | -177.2 | -59 | 176.6 | 0 | 0 | 0 | 111.2 | L189 C193 L194 Q195 | L189-I191 VanDerWaalsContact C-N 3.3Å; L189-I191 PolarHBondContact O-N 2.83Å; I191-C193 VanDerWaalsContact C-N 3.3Å; I191-C193 PolarHBondContact O-N 3.2Å; I191-L194 PolarHBondContact O-N 3.29Å; I191-Q195 PolarHBondContact O-N 2.93Å |
| 192 | M | 40.2 | Very low | 39.5 | Very low | 106 Ų | 106 | 115.3 Ų | 115.3 | 52% | 0.522 | 68% | 0.677 | S | S | . | * | H | α-helix | trans | -67.3 | -28.8 | -176.3 | -61.4 | -158.6 | -57.5 | 0 | 0 | 113.4 | L194 Q195 Q196 | M192-L194 VanDerWaalsContact C-N 3.27Å; M192-L194 PolarHBondContact O-N 3.28Å; M192-Q195 PolarHBondContact O-N 2.83Å; M192-Q196 PolarHBondContact O-N 3.49Å; M192-Q196 VanDerWaalsContact O-N 3.14Å |
| 193 | C | 42.3 | Very low | 38.8 | Very low | 84 Ų | 84 | 118.4 Ų | 118.4 | 57% | 0.568 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -63.2 | -32.4 | -179.7 | -161.1 | 0 | 0 | 0 | 0 | 112.8 | I191 | I191-C193 VanDerWaalsContact C-N 3.3Å; I191-C193 PolarHBondContact O-N 3.2Å |
| 194 | L | 39.9 | Very low | 38.1 | Very low | 132 Ų | 132 | 121.8 Ų | 121.8 | 69% | 0.691 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -80.5 | -38.1 | 175.9 | -65.1 | 175.4 | 0 | 0 | 0 | 112.1 | I191 M192 Q196 L197 | I191-L194 PolarHBondContact O-N 3.29Å; M192-L194 VanDerWaalsContact C-N 3.27Å; M192-L194 PolarHBondContact O-N 3.28Å; L194-Q196 VanDerWaalsContact C-N 3.28Å; L194-Q196 PolarHBondContact O-N 3.45Å; L194-L197 PolarHBondContact O-N 3.48Å |
| 195 | Q | 38.5 | Very low | 37.2 | Very low | 132 Ų | 132 | 125.3 Ų | 125.3 | 62% | 0.617 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -59.7 | -39.2 | 177.7 | -162.2 | 72.9 | 25.6 | 0 | 0 | 111.9 | I191 M192 L197 A198 | I191-Q195 PolarHBondContact O-N 2.93Å; M192-Q195 PolarHBondContact O-N 2.83Å; Q195-L197 PolarHBondContact O-N 2.86Å; Q195-A198 PolarHBondContact O-N 3.26Å |
| 196 | Q | 34.1 | Very low | 36.5 | Very low | 160 Ų | 160 | 125.6 Ų | 125.6 | 75% | 0.748 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.2 | -16.8 | -176.5 | -151.6 | 71.9 | 17.5 | 0 | 0 | 114.1 | M192 L194 | M192-Q196 PolarHBondContact O-N 3.49Å; M192-Q196 VanDerWaalsContact O-N 3.14Å; L194-Q196 VanDerWaalsContact C-N 3.28Å; L194-Q196 PolarHBondContact O-N 3.45Å |
| 197 | L | 37 | Very low | 35.4 | Very low | 144 Ų | 144 | 127.6 Ų | 127.6 | 75% | 0.754 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.7 | -9.2 | -179.7 | -72.6 | 167.1 | 0 | 0 | 0 | 113.6 | L194 Q195 | L194-L197 PolarHBondContact O-N 3.48Å; Q195-L197 PolarHBondContact O-N 2.86Å |
| 198 | A | 33.8 | Very low | 34.6 | Very low | 79 Ų | 79 | 132.6 Ų | 132.6 | 65% | 0.653 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -93.1 | -10.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q195 | Q195-A198 PolarHBondContact O-N 3.26Š|
| 199 | C | 31.5 | Very low | 34.1 | Very low | 107 Ų | 107 | 135 Ų | 135 | 72% | 0.723 | 73% | 0.728 | S | S | * | * | | | trans | -132.7 | 82.2 | -172 | -69.4 | 0 | 0 | 0 | 0 | 112.6 | | |
| 200 | S | 30.1 | Very low | 33.3 | Very low | 118 Ų | 118 | 139.6 Ų | 139.6 | 83% | 0.825 | 74% | 0.738 | S | S | * | * | | | trans | -144.9 | 78.4 | 167.9 | 69.7 | 0 | 0 | 0 | 0 | 112.6 | | |
| 201 | E | 27.4 | Very low | 32.5 | Very low | 192 Ų | 192 | 140.4 Ų | 140.4 | 90% | 0.897 | 74% | 0.742 | S | S | * | * | | | trans | -119.3 | 136 | 161.4 | -166.7 | 162.8 | -148.6 | 0 | 0 | 108.5 | | |
| 202 | P | 37.5 | Very low | 31.7 | Very low | 123 Ų | 123 | 143.4 Ų | 143.4 | 80% | 0.799 | 75% | 0.751 | S | S | * | * | | | trans | -96.5 | 134.3 | -160 | 35 | -33.2 | 0 | 0 | 0 | 113.8 | | |
| 203 | L | 25.6 | Very low | 31.2 | Very low | 168 Ų | 168 | 146 Ų | 146 | 88% | 0.88 | 76% | 0.761 | S | S | * | * | | | trans | -113.2 | 130.7 | 161.8 | -154 | 78.5 | 0 | 0 | 0 | 110.7 | | |
| 204 | L | 27.8 | Very low | 30.6 | Very low | 160 Ų | 160 | 145.2 Ų | 145.2 | 84% | 0.838 | 77% | 0.768 | S | S | * | * | | | trans | -86 | 131.3 | 175.8 | -69.7 | 164.7 | 0 | 0 | 0 | 110.2 | | |
| 205 | Q | 27.3 | Very low | 29.9 | Very low | 181 Ų | 181 | 144.3 Ų | 144.3 | 85% | 0.846 | 77% | 0.773 | S | S | * | * | | | trans | -144.1 | 142.3 | 153.3 | -154.3 | 71 | 35.9 | 0 | 0 | 109.6 | | |
| 206 | T | 26.8 | Very low | 29.4 | Very low | 118 Ų | 118 | 143.8 Ų | 143.8 | 72% | 0.724 | 78% | 0.778 | S | S | * | * | | | trans | -111.3 | 157.5 | -175.7 | 59.9 | 0 | 0 | 0 | 0 | 111.4 | | |
| 207 | T | 26.2 | Very low | 29.2 | Very low | 130 Ų | 130 | 144.6 Ų | 144.6 | 80% | 0.798 | 78% | 0.782 | S | S | * | * | | | trans | 168.7 | 107.4 | 152.6 | -76.1 | 0 | 0 | 0 | 0 | 105.6 | | |
| 208 | Y | 24.8 | Very low | 28.8 | Very low | 192 Ų | 192 | 141 Ų | 141 | 75% | 0.753 | 78% | 0.779 | S | S | * | * | | | | 68.3 | 95.3 | 59.8 | -152 | -73.9 | 0 | 0 | 0 | 113.1 | | |
| 209 | I | 27.8 | Very low | 28.5 | Very low | 158 Ų | 158 | 144.2 Ų | 144.2 | 81% | 0.81 | 79% | 0.785 | S | S | * | * | | | trans | -85.3 | 143.1 | 172.9 | -62.5 | 174.4 | 0 | 0 | 0 | 109 | | |
| 210 | R | 29.9 | Very low | 28.3 | Very low | 207 Ų | 207 | 148.8 Ų | 148.8 | 78% | 0.781 | 79% | 0.788 | S | S | * | * | | | trans | -136.9 | 142.7 | 169 | -175.9 | -176 | -66 | -177.9 | 1 | 109.4 | | |
| 211 | D | 27.7 | Very low | 28.3 | Very low | 147 Ų | 147 | 150 Ų | 150 | 79% | 0.786 | 78% | 0.781 | S | S | * | * | | | trans | -76.3 | -175.6 | -179.8 | -57.9 | -81 | 0 | 0 | 0 | 114.5 | | |
| 212 | K | 29 | Very low | 28.3 | Very low | 173 Ų | 173 | 147.7 Ų | 147.7 | 75% | 0.752 | 77% | 0.77 | S | S | * | * | | | trans | -52.4 | 170.8 | 176.2 | -46.9 | 168.3 | 121.1 | -150.8 | 0 | 112.9 | | |
| 213 | E | 31.4 | Very low | 27.8 | Very low | 160 Ų | 160 | 148.5 Ų | 148.5 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | | | cis | -163 | 159.4 | 20.9 | -156.7 | 141.9 | -127.7 | 0 | 0 | 111.8 | | |
| 214 | G | 27.8 | Very low | 28 | Very low | 69 Ų | 69 | 147.2 Ų | 147.2 | 71% | 0.711 | 77% | 0.767 | S | S | * | * | | | trans | 119.4 | 130.3 | 148.1 | 0 | 0 | 0 | 0 | 0 | 120.5 | | |
| 215 | S | 25.8 | Very low | 28.2 | Very low | 112 Ų | 112 | 147.8 Ų | 147.8 | 78% | 0.783 | 77% | 0.77 | S | S | * | * | | | trans | 87.8 | 108.3 | 138.6 | -157.4 | 0 | 0 | 0 | 0 | 122.8 | | |
| 216 | V | 29 | Very low | 28.5 | Very low | 122 Ų | 122 | 148 Ų | 148 | 74% | 0.739 | 77% | 0.768 | S | S | * | * | | | trans | 82.1 | 127.3 | 134.4 | 171.7 | 0 | 0 | 0 | 0 | 121.8 | | |
| 217 | E | 28.2 | Very low | 28.6 | Very low | 176 Ų | 176 | 148.1 Ų | 148.1 | 82% | 0.822 | 77% | 0.769 | S | S | * | * | | | trans | 31.2 | 144.5 | 155.4 | -101.5 | 59.9 | -161.7 | 0 | 0 | 125.6 | | |
| 218 | G | 29.2 | Very low | 28.9 | Very low | 68 Ų | 68 | 150.5 Ų | 150.5 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | | | trans | 121.4 | 93.6 | 160.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 219 | I | 28.7 | Very low | 29.2 | Very low | 148 Ų | 148 | 145.6 Ų | 145.6 | 76% | 0.759 | 77% | 0.769 | S | S | * | * | | | | 77.5 | 102.4 | 73.2 | -64.6 | 176.1 | 0 | 0 | 0 | 114.3 | | |
| 220 | Y | 26.2 | Very low | 29.3 | Very low | 202 Ų | 202 | 145.4 Ų | 145.4 | 79% | 0.792 | 77% | 0.769 | S | S | * | * | | | trans | 64.9 | 156.1 | 156.6 | -73 | -135.4 | 0 | 0 | 0 | 116.2 | | |
| 221 | Q | 30.3 | Very low | 29.3 | Very low | 145 Ų | 145 | 140.3 Ų | 140.3 | 68% | 0.678 | 76% | 0.761 | S | S | * | * | | | cis | -150.1 | 145 | -9.3 | -128.5 | 179.2 | -36.1 | 0 | 0 | 111.1 | | |
| 222 | Q | 27.6 | Very low | 29.3 | Very low | 143 Ų | 143 | 140.1 Ų | 140.1 | 67% | 0.668 | 76% | 0.755 | S | S | * | * | | | | 4.9 | 133.3 | 129.1 | -175.2 | -179 | 17.8 | 0 | 0 | 120.1 | | |
| 223 | T | 27.4 | Very low | 29.4 | Very low | 139 Ų | 139 | 139.6 Ų | 139.6 | 85% | 0.853 | 76% | 0.755 | S | S | * | * | | | | -165.8 | 128.7 | 119.1 | 26.6 | 0 | 0 | 0 | 0 | 112.4 | | |
| 224 | D | 29.6 | Very low | 29.2 | Very low | 142 Ų | 142 | 140 Ų | 140 | 76% | 0.759 | 76% | 0.755 | S | S | * | * | | | trans | -71.3 | 160.2 | 158.1 | -58.3 | -93.7 | 0 | 0 | 0 | 111.2 | | |
| 225 | L | 32.5 | Very low | 29.1 | Very low | 172 Ų | 172 | 144.3 Ų | 144.3 | 90% | 0.901 | 76% | 0.756 | S | S | * | * | | | trans | -157.9 | 140.3 | 140.5 | -112.7 | 163.9 | 0 | 0 | 0 | 111.2 | | |
| 226 | K | 31.9 | Very low | 29.2 | Very low | 186 Ų | 186 | 144.2 Ų | 144.2 | 81% | 0.809 | 76% | 0.756 | S | S | * | * | | | trans | -147.6 | 112.2 | -171.2 | 174.9 | -155.1 | 169.9 | -164.5 | 0 | 110 | | |
| 227 | T | 30.7 | Very low | 29.1 | Very low | 120 Ų | 120 | 146.6 Ų | 146.6 | 74% | 0.736 | 76% | 0.759 | S | S | * | * | | | trans | -149.9 | 121.7 | 169.8 | -29.9 | 0 | 0 | 0 | 0 | 105.2 | | |
| 228 | E | 31 | Very low | 29.8 | Very low | 180 Ų | 180 | 143.2 Ų | 143.2 | 84% | 0.841 | 75% | 0.752 | S | S | * | * | | | | 73.3 | 154.4 | 50 | -156.7 | 156 | -121.2 | 0 | 0 | 112.8 | | |
| 229 | A | 32.3 | Very low | 29.9 | Very low | 88 Ų | 88 | 145.6 Ų | 145.6 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | | | trans | -131.1 | -173.6 | -135.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 230 | L | 29.2 | Very low | 30.3 | Very low | 154 Ų | 154 | 144.5 Ų | 144.5 | 81% | 0.806 | 76% | 0.755 | S | S | * | * | | | trans | 100.3 | 132.6 | 151 | -131.2 | 83.6 | 0 | 0 | 0 | 120.1 | | |
| 231 | T | 29.4 | Very low | 30.4 | Very low | 100 Ų | 100 | 140 Ų | 140 | 61% | 0.613 | 75% | 0.753 | S | S | * | * | | | trans | 92.3 | 134.4 | 137.4 | 22.1 | 0 | 0 | 0 | 0 | 126.2 | | |
| 232 | H | 28.9 | Very low | 31.5 | Very low | 143 Ų | 143 | 138.6 Ų | 138.6 | 66% | 0.662 | 76% | 0.757 | S | S | * | * | | | trans | 95.3 | 94.9 | 137.1 | -75.3 | -49.7 | 0 | 0 | 0 | 124.9 | | |
| 233 | H | 30 | Very low | 32.1 | Very low | 163 Ų | 163 | 137.5 Ų | 137.5 | 76% | 0.755 | 76% | 0.762 | S | S | * | * | | | | 72.7 | 161 | 123.8 | -69.7 | -154 | 0 | 0 | 0 | 118.5 | | |
| 234 | K | 26.6 | Very low | 32 | Very low | 168 Ų | 168 | 136 Ų | 136 | 73% | 0.73 | 76% | 0.757 | S | S | * | * | | | cis | -169.8 | 141.8 | 42 | -172.4 | 171 | 180 | -175.9 | 0 | 114.5 | | |
| 235 | E | 26.1 | Very low | 32 | Very low | 159 Ų | 159 | 136.4 Ų | 136.4 | 74% | 0.743 | 77% | 0.765 | S | S | * | * | | | trans | 41.1 | 162.9 | 153.1 | -79 | 159.3 | 78.1 | 0 | 0 | 123.1 | | |
| 236 | S | 29.3 | Very low | 31.7 | Very low | 111 Ų | 111 | 135.4 Ų | 135.4 | 78% | 0.776 | 76% | 0.76 | S | S | * | * | | | cis | -159.2 | 172.3 | -0.2 | 38.8 | 0 | 0 | 0 | 0 | 112.4 | | |
| 237 | E | 26.7 | Very low | 31.3 | Very low | 172 Ų | 172 | 131.7 Ų | 131.7 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | | | trans | -116.5 | -176 | 170.1 | -122.4 | -150.9 | -177.8 | 0 | 0 | 110.5 | | |
| 238 | P | 41.4 | Very low | 31.3 | Very low | 104 Ų | 104 | 134.8 Ų | 134.8 | 68% | 0.675 | 76% | 0.759 | S | S | * | * | | | cis | -138.8 | 174.8 | 6.5 | 42.9 | -23.5 | 0 | 0 | 0 | 118.8 | | |
| 239 | V | 31.3 | Very low | 31 | Very low | 118 Ų | 118 | 131.2 Ų | 131.2 | 72% | 0.715 | 75% | 0.754 | S | S | * | * | | | trans | 18.2 | 141.1 | 138.9 | 175.8 | 0 | 0 | 0 | 0 | 120.4 | | |
| 240 | P | 37.2 | Very low | 31 | Very low | 126 Ų | 126 | 131.7 Ų | 131.7 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | | | cis | -143.4 | -165.3 | 34.5 | 29.5 | -2.1 | 0 | 0 | 0 | 118.8 | | |
| 241 | S | 29.6 | Very low | 31.2 | Very low | 106 Ų | 106 | 131.3 Ų | 131.3 | 74% | 0.741 | 75% | 0.75 | S | S | * | * | | | trans | -109.4 | -171.8 | 179.2 | 65.7 | 0 | 0 | 0 | 0 | 113.1 | | |
| 242 | P | 53.1 | Low | 31 | Very low | 116 Ų | 116 | 135.1 Ų | 135.1 | 75% | 0.753 | 76% | 0.76 | S | S | * | * | | | cis | -118.1 | -105.9 | -4.8 | 29.9 | -5.1 | 0 | 0 | 0 | 113.2 | | |
| 243 | P | 38.9 | Very low | 31.2 | Very low | 121 Ų | 121 | 133.5 Ų | 133.5 | 79% | 0.786 | 76% | 0.764 | S | S | * | * | | | cis | -125.3 | -146.9 | 4 | 42.3 | -22 | 0 | 0 | 0 | 116.3 | | |
| 244 | S | 26.6 | Very low | 31.1 | Very low | 107 Ų | 107 | 134.3 Ų | 134.3 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | | | trans | -113.7 | -179.1 | -156.8 | 55.3 | 0 | 0 | 0 | 0 | 118.4 | | |
| 245 | T | 28.4 | Very low | 31.1 | Very low | 150 Ų | 150 | 131.5 Ų | 131.5 | 92% | 0.92 | 77% | 0.765 | S | S | * | * | | | trans | -150.1 | 159.8 | 155.6 | -29.4 | 0 | 0 | 0 | 0 | 111.2 | | |
| 246 | L | 28.1 | Very low | 31.1 | Very low | 152 Ų | 152 | 130.5 Ų | 130.5 | 80% | 0.796 | 77% | 0.765 | S | S | * | * | | | trans | -162.4 | 134 | -165.2 | 170.4 | 65.1 | 0 | 0 | 0 | 115.3 | | |
| 247 | C | 23.3 | Very low | 31 | Very low | 108 Ų | 108 | 130 Ų | 130 | 73% | 0.73 | 76% | 0.761 | S | S | * | * | | | trans | -177 | 160.2 | 157.3 | -102.4 | 0 | 0 | 0 | 0 | 112.5 | | |
| 248 | K | 30 | Very low | 31 | Very low | 184 Ų | 184 | 129.2 Ų | 129.2 | 80% | 0.8 | 76% | 0.762 | S | S | * | * | | | cis | -174.6 | 155.2 | -35.1 | -104.4 | 176.4 | -163.1 | 178.3 | 0 | 105.8 | | |
| 249 | S | 25.4 | Very low | 30.4 | Very low | 105 Ų | 105 | 128.7 Ų | 128.7 | 73% | 0.734 | 76% | 0.761 | S | S | * | * | | | | -180 | 163.6 | 58.2 | -160.1 | 0 | 0 | 0 | 0 | 112.9 | | |
| 250 | C | 31.5 | Very low | 30.5 | Very low | 99 Ų | 99 | 131.9 Ų | 131.9 | 67% | 0.669 | 77% | 0.768 | S | S | * | * | | | trans | -12.9 | 164.4 | 157.4 | -58.3 | 0 | 0 | 0 | 0 | 122.2 | | |
| 251 | D | 33 | Very low | 30.2 | Very low | 145 Ų | 145 | 132.7 Ų | 132.7 | 78% | 0.775 | 77% | 0.771 | S | S | * | * | | | cis | -172.9 | 171.4 | -15.6 | -97.2 | -31.6 | 0 | 0 | 0 | 112.5 | | |
| 252 | H | 26.3 | Very low | 30.1 | Very low | 180 Ų | 180 | 130.9 Ų | 130.9 | 83% | 0.833 | 77% | 0.769 | S | S | * | * | | | trans | 78.9 | 163.3 | 155.8 | -137.9 | -88.2 | 0 | 0 | 0 | 122 | | |
| 253 | C | 31.3 | Very low | 29 | Very low | 109 Ų | 109 | 134.2 Ų | 134.2 | 74% | 0.736 | 77% | 0.774 | S | S | * | * | | | trans | -126.2 | 170.7 | -169.2 | -58.2 | 0 | 0 | 0 | 0 | 114.7 | | |
| 254 | Q | 28.5 | Very low | 28.6 | Very low | 181 Ų | 181 | 136.4 Ų | 136.4 | 85% | 0.846 | 77% | 0.774 | S | S | * | * | | | trans | 101.1 | 147.5 | 144.3 | -140.2 | -170.9 | 6 | 0 | 0 | 120.5 | | |
| 255 | V | 27.8 | Very low | 28.7 | Very low | 108 Ų | 108 | 136.8 Ų | 136.8 | 66% | 0.655 | 77% | 0.767 | S | S | * | * | | | trans | 82.3 | 101.6 | 160.2 | -169.4 | 0 | 0 | 0 | 0 | 120.5 | | |
| 256 | D | 24.3 | Very low | 28.5 | Very low | 139 Ų | 139 | 139.4 Ų | 139.4 | 74% | 0.743 | 76% | 0.761 | S | S | * | * | | | | 49.6 | 127.3 | 127.5 | -52.6 | -10.6 | 0 | 0 | 0 | 125.9 | | |
| 257 | S | 27.6 | Very low | 28.5 | Very low | 100 Ų | 100 | 135.7 Ų | 135.7 | 70% | 0.699 | 75% | 0.747 | S | S | * | * | | | | 70.6 | 127 | 127.8 | -62.5 | 0 | 0 | 0 | 0 | 124.2 | | |
| 258 | N | 27.2 | Very low | 28.7 | Very low | 156 Ų | 156 | 139.6 Ų | 139.6 | 83% | 0.834 | 75% | 0.752 | S | S | * | * | | | trans | 70.5 | 153.8 | 140.8 | -70.7 | -15.1 | 0 | 0 | 0 | 119.1 | | |
| 259 | S | 29.1 | Very low | 28.4 | Very low | 93 Ų | 93 | 138.7 Ų | 138.7 | 65% | 0.65 | 75% | 0.75 | S | S | * | * | | | cis | -164.3 | 154.4 | -6.4 | 39.9 | 0 | 0 | 0 | 0 | 113.6 | | |
| 260 | Q | 32.4 | Very low | 28.5 | Very low | 185 Ų | 185 | 137.9 Ų | 137.9 | 86% | 0.864 | 74% | 0.743 | S | S | * | * | | | trans | 55.4 | 115.4 | 143.6 | -70.5 | 176.4 | -8.6 | 0 | 0 | 122.7 | | |
| 261 | T | 31.9 | Very low | 28.3 | Very low | 142 Ų | 142 | 141.6 Ų | 141.6 | 87% | 0.871 | 75% | 0.749 | S | S | * | * | | | | -130 | 156.5 | 110.4 | 48.1 | 0 | 0 | 0 | 0 | 106.8 | | |
| 262 | G | 26.6 | Very low | 27.8 | Very low | 68 Ų | 68 | 139.4 Ų | 139.4 | 70% | 0.701 | 74% | 0.744 | S | S | * | * | | | cis | 104.3 | 113.1 | 7.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 263 | E | 31.4 | Very low | 27.8 | Very low | 186 Ų | 186 | 138.8 Ų | 138.8 | 87% | 0.869 | 75% | 0.746 | S | S | * | * | | | cis | -137.2 | -173.7 | -11.6 | -69.5 | -159 | 76.5 | 0 | 0 | 107.4 | | |
| 264 | E | 30.1 | Very low | 27.5 | Very low | 168 Ų | 168 | 142.1 Ų | 142.1 | 79% | 0.785 | 75% | 0.751 | S | S | * | * | | | cis | -123.9 | 169.5 | 17.2 | -93 | -167.3 | 95.9 | 0 | 0 | 111 | | |
| 265 | L | 28.7 | Very low | 27.5 | Very low | 115 Ų | 115 | 140.4 Ų | 140.4 | 60% | 0.602 | 75% | 0.753 | S | S | * | * | | | cis | 92.4 | 93.9 | 32.4 | -163.5 | 75.6 | 0 | 0 | 0 | 115.8 | | |
| 266 | W | 24.8 | Very low | 27.5 | Very low | 205 Ų | 205 | 139.1 Ų | 139.1 | 78% | 0.777 | 75% | 0.754 | S | S | * | * | | | | -179.2 | 109.4 | 107.7 | -168.6 | -93.4 | 0 | 0 | 0 | 114.2 | | |
| 267 | S | 27.5 | Very low | 28.9 | Very low | 74 Ų | 74 | 137.7 Ų | 137.7 | 52% | 0.517 | 75% | 0.752 | S | S | . | * | | | trans | 60.1 | 144.9 | 153.8 | -62.7 | 0 | 0 | 0 | 0 | 121.3 | | |
| 268 | K | 26.8 | Very low | 28.9 | Very low | 189 Ų | 189 | 139.8 Ų | 139.8 | 82% | 0.822 | 76% | 0.755 | S | S | * | * | | | cis | -155.5 | 143.4 | -3.2 | -116 | 160.8 | -165.7 | 175.2 | 0 | 112.7 | | |
| 269 | H | 24.6 | Very low | 28.9 | Very low | 165 Ų | 165 | 139 Ų | 139 | 76% | 0.764 | 75% | 0.75 | S | S | * | * | | | trans | -57.7 | 173.7 | 166.6 | -92.9 | -137.8 | 0 | 0 | 0 | 114.8 | | |
| 270 | C | 26.9 | Very low | 28.7 | Very low | 88 Ų | 88 | 142.5 Ų | 142.5 | 60% | 0.595 | 75% | 0.754 | S | S | * | * | | | cis | 174.2 | -172.7 | -20.5 | -174 | 0 | 0 | 0 | 0 | 108 | | |
| 271 | F | 27.1 | Very low | 28.5 | Very low | 178 Ų | 178 | 140.1 Ų | 140.1 | 78% | 0.781 | 75% | 0.746 | S | S | * | * | | | trans | 81.5 | 143.1 | 160.7 | -61.1 | -62.5 | 0 | 0 | 0 | 117.8 | | |
| 272 | S | 23.2 | Very low | 28.3 | Very low | 98 Ų | 98 | 139.2 Ų | 139.2 | 69% | 0.685 | 74% | 0.736 | S | S | * | * | | | cis | -157.2 | 174.7 | 1.7 | 54.5 | 0 | 0 | 0 | 0 | 114.9 | | |
| 273 | L | 26.8 | Very low | 28.3 | Very low | 167 Ų | 167 | 145 Ų | 145 | 87% | 0.874 | 74% | 0.742 | S | S | * | * | | | trans | 92.9 | 145.9 | 149.2 | -112.1 | 71.2 | 0 | 0 | 0 | 121.6 | | |
| 274 | Q | 24.8 | Very low | 28 | Very low | 179 Ų | 179 | 141.5 Ų | 141.5 | 84% | 0.836 | 74% | 0.737 | S | S | * | * | | | trans | -104.5 | 164.6 | 179.5 | -58.8 | 168.4 | -25.3 | 0 | 0 | 110.8 | | |
| 275 | T | 27.2 | Very low | 27.9 | Very low | 145 Ų | 145 | 140.4 Ų | 140.4 | 89% | 0.89 | 74% | 0.736 | S | S | * | * | | | trans | -177 | 160.6 | 133.9 | -75.5 | 0 | 0 | 0 | 0 | 109.3 | | |
| 276 | A | 29.7 | Very low | 27.8 | Very low | 82 Ų | 82 | 141.8 Ų | 141.8 | 68% | 0.678 | 75% | 0.749 | S | S | * | * | | | trans | -138.9 | -163.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 277 | P | 52.7 | Low | 27.8 | Very low | 108 Ų | 108 | 137 Ų | 137 | 70% | 0.701 | 75% | 0.746 | S | S | * | * | | | cis | -136.4 | -162.3 | -23.4 | 22.7 | 4.2 | 0 | 0 | 0 | 113.1 | | |
| 278 | L | 28.1 | Very low | 27.9 | Very low | 144 Ų | 144 | 137.9 Ų | 137.9 | 75% | 0.754 | 76% | 0.758 | S | S | * | * | | | trans | 98 | 125.9 | 146.8 | -59.7 | 177.6 | 0 | 0 | 0 | 124.3 | | |
| 279 | L | 27 | Very low | 28 | Very low | 139 Ų | 139 | 134.7 Ų | 134.7 | 73% | 0.728 | 76% | 0.759 | S | S | * | * | | | | 71.9 | 108.9 | 128.3 | -66.7 | 171.9 | 0 | 0 | 0 | 125.5 | | |
| 280 | K | 24 | Very low | 28.1 | Very low | 168 Ų | 168 | 132.5 Ų | 132.5 | 73% | 0.73 | 76% | 0.763 | S | S | * | * | | | | 80.2 | 100.4 | 103.3 | -163.7 | 175.6 | 177.4 | -180 | 0 | 122.9 | | |
| 281 | L | 29.2 | Very low | 28.3 | Very low | 134 Ų | 134 | 137.3 Ų | 137.3 | 70% | 0.702 | 78% | 0.779 | S | S | * | * | | | trans | 67 | 137.3 | 130.5 | -64 | 177.6 | 0 | 0 | 0 | 124.8 | | |
| 282 | N | 27.6 | Very low | 28.3 | Very low | 123 Ų | 123 | 134.4 Ų | 134.4 | 66% | 0.658 | 78% | 0.781 | S | S | * | * | | | trans | 81.7 | 139.6 | 135.3 | -72 | -7 | 0 | 0 | 0 | 123.9 | | |
| 283 | F | 25.4 | Very low | 28.6 | Very low | 189 Ų | 189 | 137 Ų | 137 | 83% | 0.829 | 79% | 0.787 | S | S | * | * | | | trans | 6.4 | 143.7 | 142.3 | -60.7 | -94.5 | 0 | 0 | 0 | 118.4 | | |
| 284 | C | 26.5 | Very low | 28.8 | Very low | 114 Ų | 114 | 137.5 Ų | 137.5 | 77% | 0.77 | 79% | 0.789 | S | S | * | * | | | | -168.6 | -177.6 | 64.1 | -148.4 | 0 | 0 | 0 | 0 | 116.5 | | |
| 285 | L | 28.1 | Very low | 28.9 | Very low | 145 Ų | 145 | 137.6 Ų | 137.6 | 76% | 0.759 | 79% | 0.787 | S | S | * | * | | | trans | -27.8 | 157 | 168 | -75.8 | 159.5 | 0 | 0 | 0 | 119.9 | | |
| 286 | V | 26.3 | Very low | 29 | Very low | 144 Ų | 144 | 137.3 Ų | 137.3 | 87% | 0.873 | 78% | 0.78 | S | S | * | * | | | | -156.8 | 152.2 | 122.3 | 129.9 | 0 | 0 | 0 | 0 | 111.4 | | |
| 287 | S | 25.1 | Very low | 29.1 | Very low | 103 Ų | 103 | 141.3 Ų | 141.3 | 72% | 0.72 | 78% | 0.784 | S | S | * | * | | | trans | -112.8 | 159.3 | -178.3 | -49.6 | 0 | 0 | 0 | 0 | 112.1 | | |
| 288 | A | 28.9 | Very low | 28 | Very low | 93 Ų | 93 | 145 Ų | 145 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | | | trans | -169.9 | 129.9 | 141.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 289 | S | 28 | Very low | 28.3 | Very low | 122 Ų | 122 | 143.7 Ų | 143.7 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | | | trans | 11.9 | 141.9 | 139.1 | -47.5 | 0 | 0 | 0 | 0 | 122.8 | | |
| 290 | S | 27.3 | Very low | 28.5 | Very low | 120 Ų | 120 | 143.1 Ų | 143.1 | 84% | 0.839 | 79% | 0.787 | S | S | * | * | | | | -167.1 | 166.5 | 96.7 | -158.6 | 0 | 0 | 0 | 0 | 113 | | |
| 291 | M | 31.7 | Very low | 29 | Very low | 188 Ų | 188 | 143.7 Ų | 143.7 | 93% | 0.926 | 79% | 0.79 | S | S | * | * | | | trans | -138.6 | 153 | 175.7 | -80.2 | -172 | 164.8 | 0 | 0 | 111.3 | | |
| 292 | S | 26.7 | Very low | 29.2 | Very low | 117 Ų | 117 | 143.3 Ų | 143.3 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | | | trans | -152.1 | 162.4 | 163.4 | 60.1 | 0 | 0 | 0 | 0 | 111.6 | | |
| 293 | N | 29.5 | Very low | 29.6 | Very low | 154 Ų | 154 | 142.3 Ų | 142.3 | 82% | 0.824 | 81% | 0.805 | S | S | * | * | | | trans | -107.1 | 158.5 | -164.2 | -51.1 | -84.9 | 0 | 0 | 0 | 112.7 | | |
| 294 | L | 30.3 | Very low | 30 | Very low | 176 Ų | 176 | 138.1 Ų | 138.1 | 92% | 0.921 | 81% | 0.805 | S | S | * | * | | | | -170.1 | -166.6 | 117.8 | -101 | 165.4 | 0 | 0 | 0 | 112.3 | | |
| 295 | K | 27.1 | Very low | 30.3 | Very low | 182 Ų | 182 | 141.6 Ų | 141.6 | 79% | 0.791 | 81% | 0.81 | S | S | * | * | | | trans | -137.3 | 156 | -142.5 | 177.5 | -172.7 | 174.5 | -172.1 | 0 | 113.7 | | |
| 296 | L | 29.6 | Very low | 30.5 | Very low | 139 Ų | 139 | 143.8 Ų | 143.8 | 73% | 0.728 | 82% | 0.816 | S | S | * | * | | | trans | 104.9 | 160.5 | 158.2 | -150 | 61.7 | 0 | 0 | 0 | 116.5 | | |
| 297 | E | 31.5 | Very low | 30.8 | Very low | 165 Ų | 165 | 147.8 Ų | 147.8 | 77% | 0.771 | 82% | 0.815 | S | S | * | * | | | trans | -37.7 | 157.8 | -176.4 | -70.8 | 163.3 | 117.7 | 0 | 0 | 116.4 | | |
| 298 | E | 30.1 | Very low | 31 | Very low | 187 Ų | 187 | 154.1 Ų | 154.1 | 87% | 0.874 | 82% | 0.823 | S | S | * | * | | | cis | -147.8 | -151.5 | 45.6 | -148.9 | 176.5 | 161 | 0 | 0 | 114.4 | | |
| 299 | V | 35.1 | Very low | 31 | Very low | 115 Ų | 115 | 155.7 Ų | 155.7 | 70% | 0.697 | 83% | 0.827 | S | S | * | * | | | trans | -111.5 | 144.5 | -151.3 | 170.8 | 0 | 0 | 0 | 0 | 114.9 | | |
| 300 | D | 30 | Very low | 31.3 | Very low | 127 Ų | 127 | 158.5 Ų | 158.5 | 68% | 0.679 | 83% | 0.827 | S | S | * | * | | | trans | 70.8 | 134.8 | 157.6 | -77.6 | -5.1 | 0 | 0 | 0 | 125.1 | | |
| 301 | F | 34.1 | Very low | 31.6 | Very low | 180 Ų | 180 | 157.6 Ų | 157.6 | 79% | 0.789 | 82% | 0.82 | S | S | * | * | | | trans | 32.5 | 102.9 | 153.6 | -53.1 | -61.3 | 0 | 0 | 0 | 122.3 | | |
| 302 | P | 33.6 | Very low | 31.6 | Very low | 127 Ų | 127 | 155.6 Ų | 155.6 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | | | trans | -86.6 | 118.8 | 161.9 | 32.9 | -31.5 | 0 | 0 | 0 | 113.1 | A304 | P302-A304 PolarHBondContact O-N 3.28Š|
| 303 | A | 36.8 | Very low | 32.2 | Very low | 102 Ų | 102 | 154.5 Ų | 154.5 | 84% | 0.843 | 80% | 0.803 | S | S | * | * | | | trans | -77.4 | 100.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q305 | A303-Q305 PolarHBondContact O-N 2.87Š|
| 304 | A | 33.5 | Very low | 32.4 | Very low | 101 Ų | 101 | 156.9 Ų | 156.9 | 84% | 0.835 | 80% | 0.802 | S | S | * | * | | | trans | -78.5 | 112.3 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | P302 | P302-A304 PolarHBondContact O-N 3.28Š|
| 305 | Q | 33 | Very low | 32.7 | Very low | 187 Ų | 187 | 159.4 Ų | 159.4 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 137.3 | 169 | -68.1 | -179.2 | -28.1 | 0 | 0 | 111.6 | A303 R307 | A303-Q305 PolarHBondContact O-N 2.87Å; Q305-R307 PolarHBondContact O-N 3.47Å |
| 306 | H | 31.5 | Very low | 33.4 | Very low | 190 Ų | 190 | 157.4 Ų | 157.4 | 88% | 0.88 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 128.8 | -177.8 | -166.2 | -76.3 | 0 | 0 | 0 | 112.3 | | |
| 307 | R | 32.8 | Very low | 33.9 | Very low | 228 Ų | 228 | 160.1 Ų | 160.1 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 151.2 | -178.7 | -77.4 | -173.1 | 175.7 | -175.9 | 0.4 | 113.3 | Q305 | Q305-R307 PolarHBondContact O-N 3.47Š|
| 308 | R | 30.9 | Very low | 34.2 | Very low | 236 Ų | 236 | 158.1 Ų | 158.1 | 89% | 0.891 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 140.4 | 168 | 169.6 | -161.9 | -96.8 | 174.1 | -7.5 | 109.8 | | |
| 309 | C | 27.5 | Very low | 34.4 | Very low | 126 Ų | 126 | 159.5 Ų | 159.5 | 85% | 0.851 | 81% | 0.808 | S | S | * | * | | | trans | -159.3 | 152 | 145.3 | -113.4 | 0 | 0 | 0 | 0 | 112.5 | | |
| 310 | Q | 34.3 | Very low | 34.5 | Very low | 181 Ų | 181 | 163 Ų | 163 | 85% | 0.846 | 81% | 0.814 | S | S | * | * | | | trans | -97 | -178.9 | 165.1 | -60 | 158.2 | -33.7 | 0 | 0 | 106.9 | | |
| 311 | S | 34.1 | Very low | 34.6 | Very low | 101 Ų | 101 | 160.8 Ų | 160.8 | 71% | 0.706 | 81% | 0.813 | S | S | * | * | | | cis | -162.7 | 161 | 12.9 | -172.5 | 0 | 0 | 0 | 0 | 108.7 | | |
| 312 | M | 32.1 | Very low | 34.5 | Very low | 147 Ų | 147 | 160.9 Ų | 160.9 | 72% | 0.724 | 82% | 0.816 | S | S | * | * | | | trans | -161.4 | 148.8 | 142.8 | -105.6 | -53 | -74.7 | 0 | 0 | 110 | Y314 | M312-Y314 HydrophobicContact CE-CD1 4.32Å; M312-Y314 HydrophobicContact CE-CE1 3.61Å |
| 313 | S | 38 | Very low | 34.4 | Very low | 93 Ų | 93 | 162.1 Ų | 162.1 | 65% | 0.65 | 81% | 0.814 | S | S | * | * | | | trans | -138.2 | 141.1 | -169 | 60.6 | 0 | 0 | 0 | 0 | 114 | | |
| 314 | Y | 34.6 | Very low | 34.3 | Very low | 204 Ų | 204 | 160.7 Ų | 160.7 | 80% | 0.8 | 81% | 0.809 | S | S | * | * | | | trans | -139 | 148.2 | 165.8 | -27.1 | -76.4 | 0 | 0 | 0 | 111.5 | M312 | M312-Y314 HydrophobicContact CE-CD1 4.32Å; M312-Y314 HydrophobicContact CE-CE1 3.61Å |
| 315 | R | 37.2 | Very low | 34.2 | Very low | 229 Ų | 229 | 163.1 Ų | 163.1 | 86% | 0.864 | 81% | 0.808 | S | S | * | * | | | trans | -55.8 | 146.1 | -170.2 | -56.7 | 164.9 | 174.4 | 177.8 | -2.2 | 115.8 | | |
| 316 | T | 41.2 | Very low | 33.9 | Very low | 140 Ų | 140 | 161.5 Ų | 161.5 | 86% | 0.859 | 80% | 0.8 | S | S | * | * | | | | -135 | 152.8 | 111.8 | 50.7 | 0 | 0 | 0 | 0 | 109.6 | | |
| 317 | K | 40.2 | Very low | 33.6 | Very low | 196 Ų | 196 | 162 Ų | 162 | 85% | 0.852 | 80% | 0.8 | S | S | * | * | | | trans | -112.4 | 128.2 | 174.3 | -72.6 | -174.8 | 177.6 | -175.7 | 0 | 109.5 | | |
| 318 | P | 38.7 | Very low | 33.6 | Very low | 124 Ų | 124 | 157.9 Ų | 157.9 | 81% | 0.805 | 79% | 0.79 | S | S | * | * | | | trans | -84.7 | 130.1 | 159.7 | 32.3 | -29.7 | 0 | 0 | 0 | 110.2 | | |
| 319 | Y | 32.8 | Very low | 33.6 | Very low | 215 Ų | 215 | 155.6 Ų | 155.6 | 84% | 0.843 | 79% | 0.787 | S | S | * | * | | | trans | -85 | 127.8 | 171.6 | -178.5 | -94.6 | 0 | 0 | 0 | 109.5 | A321 | Y319-A321 HydrophobicContact CD1-CB 4.43Å; Y319-A321 HydrophobicContact CE1-CB 4.26Å |
| 320 | K | 38 | Very low | 33.6 | Very low | 190 Ų | 190 | 157.8 Ų | 157.8 | 83% | 0.826 | 78% | 0.784 | S | S | * | * | | | trans | -86.9 | 107.3 | 172.2 | -76.3 | -172.1 | 176.8 | -176.4 | 0 | 109.6 | | |
| 321 | A | 31.8 | Very low | 33.4 | Very low | 79 Ų | 79 | 154.7 Ų | 154.7 | 65% | 0.653 | 77% | 0.773 | S | S | * | * | | | trans | -88.3 | 119.9 | 158.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | Y319 | Y319-A321 HydrophobicContact CD1-CB 4.43Å; Y319-A321 HydrophobicContact CE1-CB 4.26Å |
| 322 | Q | 33.1 | Very low | 33.1 | Very low | 182 Ų | 182 | 158.8 Ų | 158.8 | 85% | 0.85 | 78% | 0.778 | S | S | * | * | | | trans | -113 | 88.5 | -176.5 | -175.2 | 172.9 | -3.3 | 0 | 0 | 109.6 | G324 | Q322-G324 PolarHBondContact O-N 3.32Š|
| 323 | I | 31.3 | Very low | 33.2 | Very low | 153 Ų | 153 | 157.3 Ų | 157.3 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | | | trans | -90 | 99.8 | 173.3 | -61.8 | 175.2 | 0 | 0 | 0 | 107.8 | | |
| 324 | G | 33.1 | Very low | 32.6 | Very low | 72 Ų | 72 | 158.1 Ų | 158.1 | 74% | 0.742 | 79% | 0.785 | S | S | * | * | | | trans | -83.5 | 119.8 | 165.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | Q322 | Q322-G324 PolarHBondContact O-N 3.32Š|
| 325 | L | 31.7 | Very low | 32.4 | Very low | 153 Ų | 153 | 158 Ų | 158 | 80% | 0.801 | 79% | 0.788 | S | S | * | * | | | trans | -115.7 | 119.7 | 161.9 | -90 | 170.3 | 0 | 0 | 0 | 109.1 | F327 | L325-F327 PolarHBondContact O-N 3.32Š|
| 326 | H | 26.1 | Very low | 32.1 | Very low | 152 Ų | 152 | 156.4 Ų | 156.4 | 70% | 0.704 | 79% | 0.788 | S | S | * | * | | | trans | -75.9 | 105.6 | -178.6 | -174.5 | -108 | 0 | 0 | 0 | 109.2 | E328 | H326-E328 IonicContact CE1-OE2 3.23Å; H326-E328 PolarHBondContact CE1-OE2 3.38Å; H326-E328 VanDerWaalsContact CE1-OE2 3.23Å; H326-E328 IonicContact ND1-OE2 3.49Å; H326-E328 PolarHBondContact ND1-OE2 2.88Å; H326-E328 PolarHBondContact O-N 2.87Å |
| 327 | F | 27.1 | Very low | 31.4 | Very low | 202 Ų | 202 | 157.4 Ų | 157.4 | 89% | 0.886 | 79% | 0.788 | S | S | * | * | | | trans | -90.6 | 93.6 | 168.7 | -114.6 | -79 | 0 | 0 | 0 | 109.4 | L325 | L325-F327 PolarHBondContact O-N 3.32Š|
| 328 | E | 31.8 | Very low | 31 | Very low | 141 Ų | 141 | 155.1 Ų | 155.1 | 66% | 0.659 | 78% | 0.783 | S | S | * | * | | | trans | -70.9 | 152.7 | 177.3 | -159.2 | 161.2 | 159.7 | 0 | 0 | 111.4 | H326 | H326-E328 IonicContact CE1-OE2 3.23Å; H326-E328 PolarHBondContact CE1-OE2 3.38Å; H326-E328 VanDerWaalsContact CE1-OE2 3.23Å; H326-E328 IonicContact ND1-OE2 3.49Å; H326-E328 PolarHBondContact ND1-OE2 2.88Å; H326-E328 PolarHBondContact O-N 2.87Å |
| 329 | K | 31.6 | Very low | 30.6 | Very low | 187 Ų | 187 | 157.7 Ų | 157.7 | 81% | 0.813 | 78% | 0.784 | S | S | * | * | | | trans | -114.1 | 60.9 | -162.9 | -165.5 | -175.7 | 178.1 | -176.9 | 0 | 111.6 | | |
| 330 | E | 27.6 | Very low | 30.5 | Very low | 172 Ų | 172 | 152.9 Ų | 152.9 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | | | trans | -64.8 | 149.9 | 173.6 | -85.3 | -75.5 | 85.9 | 0 | 0 | 112.1 | | |
| 331 | L | 29.1 | Very low | 30.1 | Very low | 116 Ų | 116 | 151.2 Ų | 151.2 | 61% | 0.607 | 78% | 0.778 | S | S | * | * | | | trans | -132 | 173.1 | -168.7 | -145.1 | 73.5 | 0 | 0 | 0 | 111.3 | | |
| 332 | F | 28.8 | Very low | 29.9 | Very low | 187 Ų | 187 | 155.2 Ų | 155.2 | 82% | 0.82 | 78% | 0.783 | S | S | * | * | | | trans | 82.8 | 156.6 | 170.3 | -63.2 | -62.3 | 0 | 0 | 0 | 118.1 | | |
| 333 | P | 34.2 | Very low | 29.7 | Very low | 117 Ų | 117 | 154.7 Ų | 154.7 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | | | trans | -121.8 | 169.2 | -136.8 | 43.2 | -34 | 0 | 0 | 0 | 115.4 | | |
| 334 | C | 25 | Very low | 29.6 | Very low | 110 Ų | 110 | 154.7 Ų | 154.7 | 74% | 0.743 | 78% | 0.782 | S | S | * | * | | | trans | -118.4 | 111.9 | 162.8 | -165 | 0 | 0 | 0 | 0 | 111.2 | | |
| 335 | K | 29.9 | Very low | 29.4 | Very low | 201 Ų | 201 | 158.7 Ų | 158.7 | 87% | 0.874 | 78% | 0.784 | S | S | * | * | | | trans | -69.5 | 128.5 | 161.4 | -71.6 | 177.3 | 176.8 | 176.7 | 0 | 108.5 | | |
| 336 | K | 30.4 | Very low | 29.2 | Very low | 196 Ų | 196 | 157.8 Ų | 157.8 | 85% | 0.852 | 78% | 0.78 | S | S | * | * | | | trans | -129.3 | 150.8 | 150.9 | -76.1 | -164.4 | 176.3 | -179.5 | 0 | 110.4 | | |
| 337 | N | 28 | Very low | 29.5 | Very low | 161 Ų | 161 | 160 Ų | 160 | 86% | 0.861 | 79% | 0.788 | S | S | * | * | | | trans | -89.9 | 160.2 | -153 | -138.5 | -12.5 | 0 | 0 | 0 | 112.8 | Q339 | N337-Q339 PolarHBondContact O-N 3.48Š|
| 338 | I | 31.4 | Very low | 29.6 | Very low | 148 Ų | 148 | 160 Ų | 160 | 76% | 0.759 | 79% | 0.788 | S | S | * | * | | | trans | -67.3 | 130 | 165.8 | -63.1 | 164 | 0 | 0 | 0 | 107.9 | | |
| 339 | Q | 29.9 | Very low | 29.8 | Very low | 178 Ų | 178 | 162.1 Ų | 162.1 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | | | trans | -144.1 | 104.1 | 150.6 | -161.2 | 163.1 | 16.7 | 0 | 0 | 110.8 | N337 | N337-Q339 PolarHBondContact O-N 3.48Š|
| 340 | T | 31.3 | Very low | 29.8 | Very low | 114 Ų | 114 | 160.9 Ų | 160.9 | 70% | 0.699 | 80% | 0.798 | S | S | * | * | | | trans | -69.5 | 142.2 | 165.7 | 48 | 0 | 0 | 0 | 0 | 110.4 | | |
| 341 | N | 28.7 | Very low | 30 | Very low | 154 Ų | 154 | 158 Ų | 158 | 82% | 0.824 | 80% | 0.797 | S | S | * | * | | | trans | -153.5 | 141.5 | 144.1 | -100.6 | -32.9 | 0 | 0 | 0 | 110.4 | | |
| 342 | Q | 28.7 | Very low | 30.2 | Very low | 164 Ų | 164 | 158.1 Ų | 158.1 | 77% | 0.766 | 81% | 0.807 | S | S | * | * | | | trans | -89.5 | 148.4 | 176.3 | -79.4 | -144.9 | 68.2 | 0 | 0 | 111.4 | | |
| 343 | L | 27.2 | Very low | 30.6 | Very low | 170 Ų | 170 | 158.8 Ų | 158.8 | 89% | 0.89 | 81% | 0.813 | S | S | * | * | | | trans | -150.6 | 113 | 145.7 | -163.6 | 63.4 | 0 | 0 | 0 | 110.5 | | |
| 344 | Q | 29 | Very low | 30.3 | Very low | 154 Ų | 154 | 156.5 Ų | 156.5 | 72% | 0.72 | 81% | 0.811 | S | S | * | * | | | trans | -84.9 | 152.5 | 161.8 | -65.7 | -178.5 | -20 | 0 | 0 | 109.3 | | |
| 345 | I | 30.2 | Very low | 30.5 | Very low | 156 Ų | 156 | 157.3 Ų | 157.3 | 80% | 0.8 | 82% | 0.816 | S | S | * | * | | | trans | -177.4 | 134 | 131.8 | -96.7 | 155.1 | 0 | 0 | 0 | 112.3 | | |
| 346 | N | 28 | Very low | 30.4 | Very low | 133 Ų | 133 | 153.9 Ų | 153.9 | 71% | 0.711 | 81% | 0.812 | S | S | * | * | | | trans | 36.3 | 107.8 | 160.3 | -72.8 | -46 | 0 | 0 | 0 | 123.2 | | |
| 347 | K | 31.1 | Very low | 30.1 | Very low | 198 Ų | 198 | 155.3 Ų | 155.3 | 86% | 0.861 | 81% | 0.812 | S | S | * | * | | | | 44.8 | 103.8 | 96.6 | -171.9 | -175.6 | -177.4 | 177.2 | 0 | 118.1 | | |
| 348 | K | 29.1 | Very low | 30.6 | Very low | 204 Ų | 204 | 155.1 Ų | 155.1 | 89% | 0.887 | 81% | 0.81 | S | S | * | * | | | trans | -150.9 | 153 | 131.8 | -148.1 | 168.8 | -175.6 | 177.9 | 0 | 111.9 | | |
| 349 | E | 35.9 | Very low | 30.7 | Very low | 184 Ų | 184 | 153.2 Ų | 153.2 | 86% | 0.86 | 81% | 0.807 | S | S | * | * | | | trans | -111.2 | 126.1 | -172.2 | 171.9 | -177.2 | -158.7 | 0 | 0 | 110.1 | | |
| 350 | I | 32.2 | Very low | 30.8 | Very low | 161 Ų | 161 | 151.3 Ų | 151.3 | 83% | 0.826 | 81% | 0.807 | S | S | * | * | | | trans | -147.2 | 133.3 | 166.7 | -55.5 | -178.5 | 0 | 0 | 0 | 108.2 | | |
| 351 | S | 31.4 | Very low | 30.8 | Very low | 112 Ų | 112 | 154.1 Ų | 154.1 | 78% | 0.783 | 81% | 0.812 | S | S | * | * | | | trans | -91.4 | 140.5 | 177 | 61.4 | 0 | 0 | 0 | 0 | 113.2 | | |
| 352 | S | 33.7 | Very low | 30.8 | Very low | 118 Ų | 118 | 151.4 Ų | 151.4 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | | | trans | -156.7 | 152.5 | 153.8 | 61 | 0 | 0 | 0 | 0 | 112.3 | | |
| 353 | Q | 38.2 | Very low | 31 | Very low | 201 Ų | 201 | 150.4 Ų | 150.4 | 94% | 0.939 | 81% | 0.806 | S | S | * | * | | | trans | -77.8 | 138 | 168.2 | -68.4 | 176 | -19 | 0 | 0 | 109.8 | | |
| 354 | G | 27.7 | Very low | 31 | Very low | 70 Ų | 70 | 149 Ų | 149 | 72% | 0.722 | 80% | 0.8 | S | S | * | * | | | trans | -134.2 | 95.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 355 | C | 28.2 | Very low | 31.1 | Very low | 126 Ų | 126 | 146.2 Ų | 146.2 | 85% | 0.851 | 80% | 0.803 | S | S | * | * | | | trans | -86.4 | 107.1 | 171.2 | 177.8 | 0 | 0 | 0 | 0 | 109.8 | | |
| 356 | V | 28.8 | Very low | 31.2 | Very low | 130 Ų | 130 | 147.8 Ų | 147.8 | 79% | 0.788 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -94.2 | 123.8 | 176 | -179.1 | 0 | 0 | 0 | 0 | 109.9 | | |
| 357 | R | 24.2 | Very low | 31.5 | Very low | 225 Ų | 225 | 148.9 Ų | 148.9 | 85% | 0.849 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -89.7 | 144.6 | 165.5 | -56.6 | -174.6 | -162.6 | 173.8 | 7.9 | 109 | | |
| 358 | I | 38.7 | Very low | 31.6 | Very low | 158 Ų | 158 | 147.3 Ų | 147.3 | 81% | 0.81 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 133 | 168.7 | -58.4 | 175.2 | 0 | 0 | 0 | 108 | | |
| 359 | P | 32.3 | Very low | 32 | Very low | 107 Ų | 107 | 144.3 Ų | 144.3 | 70% | 0.695 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -70 | 157.7 | 174.4 | -17.4 | 31.6 | 0 | 0 | 0 | 112.9 | | |
| 360 | V | 33.3 | Very low | 31.9 | Very low | 139 Ų | 139 | 142.2 Ų | 142.2 | 84% | 0.842 | 80% | 0.798 | S | S | * | * | | | trans | -135.7 | 113.9 | 163.5 | 176.2 | 0 | 0 | 0 | 0 | 107.5 | | |
| 361 | E | 29.3 | Very low | 32 | Very low | 173 Ų | 173 | 137.8 Ų | 137.8 | 81% | 0.808 | 79% | 0.793 | S | S | * | * | | | trans | -122.1 | 110.4 | 168.3 | -86.6 | -179.3 | 119.1 | 0 | 0 | 105.6 | | |
| 362 | T | 29.8 | Very low | 32.5 | Very low | 97 Ų | 97 | 136.6 Ų | 136.6 | 60% | 0.595 | 80% | 0.798 | S | S | * | * | | | | 74.4 | 113.3 | 82.9 | 56.2 | 0 | 0 | 0 | 0 | 114 | | |
| 363 | T | 32.3 | Very low | 32.8 | Very low | 142 Ų | 142 | 136.4 Ų | 136.4 | 87% | 0.871 | 80% | 0.796 | S | S | * | * | | | trans | -134.5 | 136.4 | 149.1 | 51.1 | 0 | 0 | 0 | 0 | 106.4 | | |
| 364 | D | 27.9 | Very low | 33.1 | Very low | 140 Ų | 140 | 138.2 Ų | 138.2 | 75% | 0.749 | 80% | 0.795 | S | S | * | * | | | trans | -100.5 | 164.6 | -150.9 | -51.9 | -88.8 | 0 | 0 | 0 | 115.7 | | |
| 365 | A | 31.4 | Very low | 33.7 | Very low | 96 Ų | 96 | 140.5 Ų | 140.5 | 79% | 0.793 | 80% | 0.797 | S | S | * | * | | | trans | 66.7 | 152.9 | 157.5 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 366 | E | 31.3 | Very low | 34.3 | Very low | 190 Ų | 190 | 144.7 Ų | 144.7 | 89% | 0.888 | 80% | 0.795 | S | S | * | * | | | cis | -115.3 | 156.5 | -0.1 | -71 | 177.2 | 123.3 | 0 | 0 | 111.7 | | |
| 367 | E | 35.4 | Very low | 35 | Very low | 156 Ų | 156 | 146.2 Ų | 146.2 | 73% | 0.729 | 80% | 0.797 | S | S | * | * | | | trans | -77.6 | 143.3 | 155.9 | -69.6 | -168.3 | 142.1 | 0 | 0 | 109 | Q369 | E367-Q369 PolarHBondContact OE2-NE2 3.01Š|
| 368 | D | 31.7 | Very low | 35.6 | Very low | 164 Ų | 164 | 142.4 Ų | 142.4 | 88% | 0.877 | 79% | 0.789 | S | S | * | * | | | trans | -131.6 | 139.8 | 142.6 | -160 | -1.2 | 0 | 0 | 0 | 109.5 | | |
| 369 | Q | 39.2 | Very low | 36.2 | Very low | 142 Ų | 142 | 143.1 Ų | 143.1 | 66% | 0.664 | 79% | 0.794 | S | S | * | * | | | trans | -109.9 | 114.3 | -159.7 | -61.7 | -179.3 | 13.7 | 0 | 0 | 111.1 | E367 | E367-Q369 PolarHBondContact OE2-NE2 3.01Š|
| 370 | T | 33.9 | Very low | 36.8 | Very low | 139 Ų | 139 | 141.5 Ų | 141.5 | 85% | 0.853 | 80% | 0.796 | S | S | * | * | | | trans | -143.5 | 126.3 | 156.5 | -49.1 | 0 | 0 | 0 | 0 | 110.8 | | |
| 371 | G | 33 | Very low | 37.3 | Very low | 69 Ų | 69 | 139.5 Ų | 139.5 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | | | trans | -67.3 | 147.8 | 178 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 372 | G | 42.2 | Very low | 38.2 | Very low | 87 Ų | 87 | 135 Ų | 135 | 90% | 0.897 | 79% | 0.789 | S | S | * | * | | | trans | -67.5 | 138.4 | -177 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 373 | S | 39.5 | Very low | 39.2 | Very low | 113 Ų | 113 | 141.8 Ų | 141.8 | 79% | 0.79 | 80% | 0.804 | S | S | * | * | | | trans | -113.5 | 131.5 | 155.6 | 58.1 | 0 | 0 | 0 | 0 | 108.7 | | |
| 374 | W | 44.3 | Very low | 40.2 | Very low | 240 Ų | 240 | 145.8 Ų | 145.8 | 91% | 0.909 | 80% | 0.803 | S | S | * | * | | | trans | -70.5 | 141 | 169.2 | -74.7 | 82.9 | 0 | 0 | 0 | 108.7 | R376 | W374-R376 PolarHBondContact O-N 3.07Š|
| 375 | P | 40 | Very low | 41.1 | Very low | 117 Ų | 117 | 148.7 Ų | 148.7 | 76% | 0.76 | 81% | 0.805 | S | S | * | * | | | trans | -60.4 | 112.3 | 174.2 | 25.3 | -33.1 | 0 | 0 | 0 | 108.9 | L377 | P375-L377 PolarHBondContact O-N 3.46Š|
| 376 | R | 42.4 | Very low | 41.9 | Very low | 214 Ų | 214 | 151.4 Ų | 151.4 | 81% | 0.808 | 81% | 0.805 | S | S | * | * | | | trans | -64.2 | 125.4 | 179.7 | -174.5 | 176.7 | -71.1 | -159.2 | -1.5 | 108.4 | W374 E378 | W374-R376 PolarHBondContact O-N 3.07Å; R376-E378 VanDerWaalsContact C-N 3.34Å; R376-E378 PolarHBondContact O-N 2.91Å |
| 377 | L | 42 | Very low | 42.8 | Very low | 162 Ų | 162 | 151.4 Ų | 151.4 | 85% | 0.848 | 80% | 0.802 | S | S | * | * | | | trans | -69.6 | 92.5 | 174.1 | -87.7 | 160.8 | 0 | 0 | 0 | 109.2 | P375 L379 | P375-L377 PolarHBondContact O-N 3.46Å; L377-L379 WeakPolarHBondContact O-CD1 3.09Å; L377-L379 PolarHBondContact O-N 3.4Å |
| 378 | E | 38.3 | Very low | 43.4 | Very low | 145 Ų | 145 | 149.6 Ų | 149.6 | 68% | 0.678 | 80% | 0.797 | S | S | * | * | | | trans | -62 | 130 | 170.2 | -73.9 | -57.3 | 138.9 | 0 | 0 | 110.5 | R376 G380 | R376-E378 VanDerWaalsContact C-N 3.34Å; R376-E378 PolarHBondContact O-N 2.91Å; E378-G380 PolarHBondContact O-N 3Å |
| 379 | L | 50.5 | Low | 44.3 | Very low | 174 Ų | 174 | 147.3 Ų | 147.3 | 91% | 0.911 | 78% | 0.781 | S | S | * | * | | | trans | -76 | 39.4 | 176.1 | -85.8 | 69.9 | 0 | 0 | 0 | 111.6 | L377 | L377-L379 WeakPolarHBondContact O-CD1 3.09Å; L377-L379 PolarHBondContact O-N 3.4Å |
| 380 | G | 44.2 | Very low | 44.8 | Very low | 72 Ų | 72 | 146.3 Ų | 146.3 | 74% | 0.742 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.4 | 16.8 | -166.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | E378 | E378-G380 PolarHBondContact O-N 3Š|
| 381 | S | 44.8 | Very low | 45.8 | Very low | 97 Ų | 97 | 147.3 Ų | 147.3 | 68% | 0.678 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -144.7 | 26.5 | -176.5 | 65 | 0 | 0 | 0 | 0 | 116.3 | R383 | S381-R383 PolarHBondContact O-N 3.24Š|
| 382 | G | 47.2 | Very low | 47 | Very low | 80 Ų | 80 | 149.6 Ų | 149.6 | 83% | 0.825 | 77% | 0.765 | S | S | * | * | | | trans | -66.6 | 37.5 | 178 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 383 | R | 52.3 | Low | 47.6 | Very low | 238 Ų | 238 | 150 Ų | 150 | 90% | 0.898 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -143.8 | 55.8 | 178.6 | -65.6 | -166.7 | -174.9 | -150.8 | 3.5 | 113.2 | S381 | S381-R383 PolarHBondContact O-N 3.24Š|
| 384 | R | 52.6 | Low | 48.6 | Very low | 226 Ų | 226 | 147.8 Ų | 147.8 | 85% | 0.853 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -153.9 | 9.7 | 165.9 | -125.2 | -179.8 | -62.7 | -127.9 | 5 | 118.4 | | |
| 385 | Y | 47 | Very low | 49.8 | Very low | 201 Ų | 201 | 140.4 Ų | 140.4 | 79% | 0.788 | 71% | 0.713 | S | S | * | * | | | trans | -103.9 | -2.5 | -179.8 | -68.1 | -74.3 | 0 | 0 | 0 | 115.1 | K387 | Y385-K387 PolarHBondContact O-N 2.9Š|
| 386 | L | 47.8 | Very low | 51.1 | Low | 153 Ų | 153 | 139.4 Ų | 139.4 | 80% | 0.801 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.8 | 55.4 | 177.8 | -162.1 | 81.1 | 0 | 0 | 0 | 112.2 | | |
| 387 | K | 50.8 | Low | 52.4 | Low | 190 Ų | 190 | 136.4 Ų | 136.4 | 83% | 0.826 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -157.3 | 27.1 | -179.9 | -136.5 | 170.6 | -173 | 175.8 | 0 | 115.8 | Y385 | Y385-K387 PolarHBondContact O-N 2.9Š|
| 388 | L | 46.7 | Very low | 53.7 | Low | 118 Ų | 118 | 133.9 Ų | 133.9 | 62% | 0.618 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -112.7 | -32.2 | 172.2 | -84.9 | 160.6 | 0 | 0 | 0 | 113.3 | N390 K391 | L388-N390 PolarHBondContact O-N 2.89Å; L388-K391 PolarHBondContact O-N 2.99Å |
| 389 | E | 52 | Low | 55.4 | Low | 116 Ų | 116 | 131.7 Ų | 131.7 | 54% | 0.542 | 67% | 0.673 | S | S | . | * | G | 310 helix | trans | -51.2 | -31.5 | 176.2 | -75.1 | 162.3 | 113.8 | 0 | 0 | 113.8 | K391 E392 D393 | E389-K391 PolarHBondContact O-N 3.04Å; E389-E392 WeakPolarHBondContact CA-OE1 3.33Å; E389-E392 WeakPolarHBondContact O-CG 3.21Å; E389-E392 PolarHBondContact O-N 2.73Å; E389-D393 PolarHBondContact O-N 3.22Å |
| 390 | N | 48.9 | Very low | 56.6 | Low | 122 Ų | 122 | 128.4 Ų | 128.4 | 65% | 0.652 | 66% | 0.656 | S | S | * | * | G | 310 helix | trans | -67.4 | -4.3 | 179.6 | -153.8 | -117.8 | 0 | 0 | 0 | 114.6 | L388 D393 | L388-N390 PolarHBondContact O-N 2.89Å; N390-D393 PolarHBondContact ND2-OD2 2.78Å |
| 391 | K | 55.8 | Low | 58 | Low | 160 Ų | 160 | 131.1 Ų | 131.1 | 70% | 0.696 | 65% | 0.65 | S | S | * | * | G | 310 helix | trans | -93.2 | -28.5 | 169.6 | -80.6 | -165.4 | 169 | -168 | 0 | 114 | L388 E389 S394 V395 | L388-K391 PolarHBondContact O-N 2.99Å; E389-K391 PolarHBondContact O-N 3.04Å; K391-S394 PolarHBondContact O-N 2.79Å; K391-V395 PolarHBondContact O-N 3.29Å |
| 392 | E | 58.1 | Low | 59.4 | Low | 116 Ų | 116 | 131.9 Ų | 131.9 | 54% | 0.542 | 65% | 0.645 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75.8 | -43 | 175.9 | 35.2 | -149.4 | 130.8 | 0 | 0 | 109.7 | E389 S394 V395 D396 | E389-E392 WeakPolarHBondContact CA-OE1 3.33Å; E389-E392 WeakPolarHBondContact O-CG 3.21Å; E389-E392 PolarHBondContact O-N 2.73Å; E392-S394 PolarHBondContact O-N 2.84Å; E392-V395 PolarHBondContact O-N 3.06Å; E392-D396 PolarHBondContact O-N 2.86Å; E392-D396 VanDerWaalsContact O-N 3.09Å |
| 393 | D | 55 | Low | 60.8 | Low | 96 Ų | 96 | 134.8 Ų | 134.8 | 51% | 0.513 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -46.2 | -38.5 | 165.2 | -67.7 | -33.5 | 0 | 0 | 0 | 113.1 | E389 N390 K397 | E389-D393 PolarHBondContact O-N 3.22Å; N390-D393 PolarHBondContact ND2-OD2 2.78Å; D393-K397 VanDerWaalsContact O-CB 3.29Å; D393-K397 WeakPolarHBondContact O-CB 3.46Å; D393-K397 PolarHBondContact O-N 3.38Å |
| 394 | S | 60.7 | Low | 61.7 | Low | 67 Ų | 67 | 130.2 Ų | 130.2 | 47% | 0.469 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -81.5 | -16.5 | -177 | -174.3 | 0 | 0 | 0 | 0 | 113.7 | K391 E392 L398 | K391-S394 PolarHBondContact O-N 2.79Å; E392-S394 PolarHBondContact O-N 2.84Å; S394-L398 WeakPolarHBondContact O-CD1 3.37Å; S394-L398 WeakPolarHBondContact O-CG 3.3Å |
| 395 | V | 68.4 | Low | 62.4 | Low | 85 Ų | 85 | 124.4 Ų | 124.4 | 52% | 0.515 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -87.3 | -44.6 | 174.1 | 170.3 | 0 | 0 | 0 | 0 | 109.6 | K391 E392 K397 L398 L399 | K391-V395 PolarHBondContact O-N 3.29Å; E392-V395 PolarHBondContact O-N 3.06Å; V395-K397 VanDerWaalsContact C-N 3.32Å; V395-K397 PolarHBondContact O-N 3.36Å; V395-L398 WeakPolarHBondContact O-CA 3.27Å; V395-L398 WeakPolarHBondContact O-CB 3.33Å; V395-L398 PolarHBondContact O-N 3.49Å; V395-L399 HydrophobicContact CG1-CD1 4.32Å; V395-L399 PolarHBondContact O-N 3.5Å |
| 396 | D | 67.5 | Low | 62.9 | Low | 95 Ų | 95 | 118.2 Ų | 118.2 | 51% | 0.508 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -62.9 | -40.6 | 178.5 | -64 | -24.1 | 0 | 0 | 0 | 111 | E392 L398 L399 D400 | E392-D396 PolarHBondContact O-N 2.86Å; E392-D396 VanDerWaalsContact O-N 3.09Å; D396-L398 PolarHBondContact O-N 3.35Å; D396-L399 WeakPolarHBondContact O-CA 3.41Å; D396-L399 WeakPolarHBondContact O-CB 3.49Å; D396-L399 PolarHBondContact O-N 3.39Å; D396-D400 PolarHBondContact O-N 2.99Å |
| 397 | K | 69.7 | Low | 63.4 | Low | 151 Ų | 151 | 113 Ų | 113 | 66% | 0.657 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -65.1 | -23.7 | 173.8 | -167.1 | 168.7 | -173.2 | 172.2 | 0 | 114.3 | D393 V395 Q401 | D393-K397 VanDerWaalsContact O-CB 3.29Å; D393-K397 WeakPolarHBondContact O-CB 3.46Å; D393-K397 PolarHBondContact O-N 3.38Å; V395-K397 VanDerWaalsContact C-N 3.32Å; V395-K397 PolarHBondContact O-N 3.36Å; K397-Q401 WeakPolarHBondContact O-CB 3.45Å; K397-Q401 PolarHBondContact O-N 2.9Å |
| 398 | L | 69.4 | Low | 63.4 | Low | 109 Ų | 109 | 111.1 Ų | 111.1 | 57% | 0.571 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -81.9 | -29.3 | 171.9 | -74.7 | 171.3 | 0 | 0 | 0 | 111.9 | S394 V395 D396 L402 | S394-L398 WeakPolarHBondContact O-CD1 3.37Å; S394-L398 WeakPolarHBondContact O-CG 3.3Å; V395-L398 WeakPolarHBondContact O-CA 3.27Å; V395-L398 WeakPolarHBondContact O-CB 3.33Å; V395-L398 PolarHBondContact O-N 3.49Å; D396-L398 PolarHBondContact O-N 3.35Å; L398-L402 WeakPolarHBondContact O-CB 3.36Å; L398-L402 PolarHBondContact O-N 2.87Å |
| 399 | L | 73.6 | Confident | 63.6 | Low | 99 Ų | 99 | 112.3 Ų | 112.3 | 52% | 0.518 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -66.4 | -50.7 | 171.1 | -84.5 | 157.7 | 0 | 0 | 0 | 111.2 | V395 D396 Q401 L402 E403 | V395-L399 HydrophobicContact CG1-CD1 4.32Å; V395-L399 PolarHBondContact O-N 3.5Å; D396-L399 WeakPolarHBondContact O-CA 3.41Å; D396-L399 WeakPolarHBondContact O-CB 3.49Å; D396-L399 PolarHBondContact O-N 3.39Å; L399-Q401 VanDerWaalsContact C-N 3.26Å; L399-Q401 PolarHBondContact O-N 3.35Å; L399-L402 WeakPolarHBondContact O-CA 3.49Å; L399-L402 WeakPolarHBondContact O-CB 3.47Å; L399-L402 PolarHBondContact O-N 3.43Å; L399-E403 PolarHBondContact O-N 3.07Å |
| 400 | D | 76.1 | Confident | 63.6 | Low | 106 Ų | 106 | 113.1 Ų | 113.1 | 57% | 0.567 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -53 | -44.4 | 173.8 | -83.2 | 2.1 | 0 | 0 | 0 | 111.7 | D396 L402 E403 H404 | D396-D400 PolarHBondContact O-N 2.99Å; D400-L402 VanDerWaalsContact C-N 3.31Å; D400-L402 PolarHBondContact O-N 3.48Å; D400-E403 PolarHBondContact O-N 2.79Å; D400-H404 WeakPolarHBondContact O-CB 3.5Å; D400-H404 PolarHBondContact O-CD2 3.14Å; D400-H404 PolarHBondContact O-N 3.11Å |
| 401 | Q | 74.2 | Confident | 63.9 | Low | 129 Ų | 129 | 115.2 Ų | 115.2 | 60% | 0.603 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -69.6 | -27.8 | -180 | -171.1 | 171.1 | -18.5 | 0 | 0 | 112.6 | K397 L399 Q405 | K397-Q401 WeakPolarHBondContact O-CB 3.45Å; K397-Q401 PolarHBondContact O-N 2.9Å; L399-Q401 VanDerWaalsContact C-N 3.26Å; L399-Q401 PolarHBondContact O-N 3.35Å; Q401-Q405 WeakPolarHBondContact O-CG 3.29Å; Q401-Q405 PolarHBondContact O-N 3.26Å |
| 402 | L | 74.4 | Confident | 63.8 | Low | 112 Ų | 112 | 110.9 Ų | 110.9 | 59% | 0.586 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -75.8 | -41.9 | 173.5 | -164.5 | 74.4 | 0 | 0 | 0 | 111.5 | L398 L399 D400 Q405 C406 | L398-L402 WeakPolarHBondContact O-CB 3.36Å; L398-L402 PolarHBondContact O-N 2.87Å; L399-L402 WeakPolarHBondContact O-CA 3.49Å; L399-L402 WeakPolarHBondContact O-CB 3.47Å; L399-L402 PolarHBondContact O-N 3.43Å; D400-L402 VanDerWaalsContact C-N 3.31Å; D400-L402 PolarHBondContact O-N 3.48Å; L402-Q405 WeakPolarHBondContact O-CB 3.44Å; L402-Q405 PolarHBondContact O-N 3.35Å; L402-Q405 VanDerWaalsContact O-N 3.1Å; L402-C406 PolarHBondContact O-N 2.75Å; L402-C406 PolarHBondContact O-SG 3.32Å |
| 403 | E | 76.1 | Confident | 63.5 | Low | 141 Ų | 141 | 113.3 Ų | 113.3 | 66% | 0.659 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -66.7 | -38.3 | 177.5 | -172.7 | 165.1 | -179.1 | 0 | 0 | 111.8 | L399 D400 Q405 C406 S407 | L399-E403 PolarHBondContact O-N 3.07Å; D400-E403 PolarHBondContact O-N 2.79Å; E403-Q405 VanDerWaalsContact C-N 3.3Å; E403-Q405 PolarHBondContact O-N 3.11Å; E403-C406 PolarHBondContact O-N 3.22Å; E403-S407 WeakPolarHBondContact O-CB 3.11Å; E403-S407 PolarHBondContact O-N 2.93Å; E403-S407 PolarHBondContact O-OG 2.88Å |
| 404 | H | 71.8 | Confident | 63.3 | Low | 143 Ų | 143 | 111.9 Ų | 111.9 | 66% | 0.662 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -65.4 | -27.7 | 169.7 | -90.1 | -61.7 | 0 | 0 | 0 | 113.9 | D400 | D400-H404 WeakPolarHBondContact O-CB 3.5Å; D400-H404 PolarHBondContact O-CD2 3.14Å; D400-H404 PolarHBondContact O-N 3.11Å |
| 405 | Q | 66.7 | Low | 63 | Low | 103 Ų | 103 | 114.1 Ų | 114.1 | 48% | 0.481 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -72.7 | -51.5 | 169.9 | -79.2 | -71.7 | -66.8 | 0 | 0 | 111.1 | Q401 L402 E403 S407 Y408 W409 | Q401-Q405 WeakPolarHBondContact O-CG 3.29Å; Q401-Q405 PolarHBondContact O-N 3.26Å; L402-Q405 WeakPolarHBondContact O-CB 3.44Å; L402-Q405 PolarHBondContact O-N 3.35Å; L402-Q405 VanDerWaalsContact O-N 3.1Å; E403-Q405 VanDerWaalsContact C-N 3.3Å; E403-Q405 PolarHBondContact O-N 3.11Å; Q405-S407 VanDerWaalsContact C-N 3.33Å; Q405-S407 PolarHBondContact O-N 3.49Å; Q405-Y408 WeakPolarHBondContact O-CB 3.44Å; Q405-Y408 PolarHBondContact O-N 2.83Å; Q405-W409 PolarHBondContact O-N 2.99Å; Q405-W409 VanDerWaalsContact O-N 3.13Å |
| 406 | C | 56.6 | Low | 62.2 | Low | 71 Ų | 71 | 113.2 Ų | 113.2 | 48% | 0.48 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -56.6 | -45.5 | -179.7 | -69.1 | 0 | 0 | 0 | 0 | 112.3 | L402 E403 Y408 W409 D410 | L402-C406 PolarHBondContact O-N 2.75Å; L402-C406 PolarHBondContact O-SG 3.32Å; E403-C406 PolarHBondContact O-N 3.22Å; C406-Y408 PolarHBondContact O-N 3.34Å; C406-W409 PolarHBondContact O-N 2.98Å; C406-W409 VanDerWaalsContact O-N 3.15Å; C406-D410 PolarHBondContact O-N 3.48Å; C406-D410 VanDerWaalsContact O-N 3.07Å |
| 407 | S | 58.4 | Low | 61.8 | Low | 45 Ų | 45 | 114.4 Ų | 114.4 | 32% | 0.315 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -71.8 | -8.5 | 178.3 | 61.1 | 0 | 0 | 0 | 0 | 115.2 | E403 Q405 K411 | E403-S407 WeakPolarHBondContact O-CB 3.11Å; E403-S407 PolarHBondContact O-N 2.93Å; E403-S407 PolarHBondContact O-OG 2.88Å; Q405-S407 VanDerWaalsContact C-N 3.33Å; Q405-S407 PolarHBondContact O-N 3.49Å; S407-K411 WeakPolarHBondContact O-CD 3.28Å |
| 408 | Y | 51.5 | Low | 60.9 | Low | 150 Ų | 150 | 116.9 Ų | 116.9 | 59% | 0.588 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -84.2 | -46.8 | 165.7 | -179.2 | -99.8 | 0 | 0 | 0 | 110.8 | Q405 C406 D410 K411 S412 | Q405-Y408 WeakPolarHBondContact O-CB 3.44Å; Q405-Y408 PolarHBondContact O-N 2.83Å; C406-Y408 PolarHBondContact O-N 3.34Å; Y408-D410 PolarHBondContact O-N 2.82Å; Y408-K411 PolarHBondContact O-N 3.5Å; Y408-K411 VanDerWaalsContact O-N 3.15Å; Y408-S412 PolarHBondContact O-N 3.32Å; Y408-S412 PolarHBondContact O-OG 3.3Å |
| 409 | W | 50.5 | Low | 59.7 | Low | 142 Ų | 142 | 124.7 Ų | 124.7 | 54% | 0.538 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -61 | -43 | 179.1 | -72.9 | 104.7 | 0 | 0 | 0 | 113.1 | Q405 C406 K411 S412 F413 | Q405-W409 PolarHBondContact O-N 2.99Å; Q405-W409 VanDerWaalsContact O-N 3.13Å; C406-W409 PolarHBondContact O-N 2.98Å; C406-W409 VanDerWaalsContact O-N 3.15Å; W409-K411 PolarHBondContact O-N 3.41Å; W409-K411 VanDerWaalsContact O-N 3.17Å; W409-S412 PolarHBondContact O-N 3.44Å; W409-F413 HydrophobicContact CE3-CE2 4.14Å; W409-F413 VanDerWaalsContact O-CD2 3.31Å; W409-F413 WeakPolarHBondContact O-CD2 3.48Å |
| 410 | D | 52.7 | Low | 59 | Low | 134 Ų | 134 | 126 Ų | 126 | 72% | 0.717 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -58.5 | -29.2 | 176.5 | -85.5 | -26.4 | 0 | 0 | 0 | 113.1 | C406 Y408 | C406-D410 PolarHBondContact O-N 3.48Å; C406-D410 VanDerWaalsContact O-N 3.07Å; Y408-D410 PolarHBondContact O-N 2.82Å |
| 411 | K | 55.3 | Low | 58.1 | Low | 165 Ų | 165 | 127.1 Ų | 127.1 | 72% | 0.717 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -82 | -17.7 | 178.6 | -68.8 | 172.6 | -174.3 | 159.9 | 0 | 113.2 | S407 Y408 W409 | S407-K411 WeakPolarHBondContact O-CD 3.28Å; Y408-K411 PolarHBondContact O-N 3.5Å; Y408-K411 VanDerWaalsContact O-N 3.15Å; W409-K411 PolarHBondContact O-N 3.41Å; W409-K411 VanDerWaalsContact O-N 3.17Å |
| 412 | S | 52.2 | Low | 57.2 | Low | 69 Ų | 69 | 126.9 Ų | 126.9 | 48% | 0.483 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -83.2 | -19.1 | 179.9 | -63.4 | 0 | 0 | 0 | 0 | 114.1 | Y408 W409 | Y408-S412 PolarHBondContact O-N 3.32Å; Y408-S412 PolarHBondContact O-OG 3.3Å; W409-S412 PolarHBondContact O-N 3.44Å |
| 413 | F | 52.5 | Low | 56.1 | Low | 168 Ų | 168 | 127.8 Ų | 127.8 | 74% | 0.737 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -96.6 | -2.7 | 179.6 | -67.2 | -72 | 0 | 0 | 0 | 114.5 | W409 S415 | W409-F413 HydrophobicContact CE3-CE2 4.14Å; W409-F413 VanDerWaalsContact O-CD2 3.31Å; W409-F413 WeakPolarHBondContact O-CD2 3.48Å; F413-S415 PolarHBondContact O-N 3.23Å |
| 414 | G | 51.9 | Low | 54.9 | Low | 65 Ų | 65 | 127 Ų | 127 | 67% | 0.67 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -83.3 | -0 | -170.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 415 | S | 54.5 | Low | 53.8 | Low | 115 Ų | 115 | 125.9 Ų | 125.9 | 80% | 0.804 | 68% | 0.677 | S | S | * | * | | | trans | -129.7 | 66.2 | -169.1 | -62.8 | 0 | 0 | 0 | 0 | 113.7 | F413 | F413-S415 PolarHBondContact O-N 3.23Š|
| 416 | G | 50 | Low | 52.8 | Low | 65 Ų | 65 | 127.6 Ų | 127.6 | 67% | 0.67 | 69% | 0.691 | S | S | * | * | | | trans | -87.2 | 130.3 | 166.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | F418 | G416-F418 PolarHBondContact O-N 3.49Š|
| 417 | P | 58.9 | Low | 52.6 | Low | 120 Ų | 120 | 131.9 Ų | 131.9 | 78% | 0.779 | 71% | 0.707 | S | S | * | * | | | trans | -84.7 | 73.9 | -172.1 | 34.5 | -36.7 | 0 | 0 | 0 | 112.9 | | |
| 418 | F | 50.6 | Low | 52.1 | Low | 204 Ų | 204 | 139.2 Ų | 139.2 | 90% | 0.895 | 74% | 0.739 | S | S | * | * | | | trans | -144 | 72.4 | 172.8 | -81 | -70.3 | 0 | 0 | 0 | 113.6 | G416 | G416-F418 PolarHBondContact O-N 3.49Š|
| 419 | Q | 44.1 | Very low | 52.1 | Low | 273 Ų | 273 | 138.2 Ų | 138.2 | 100% | 1.276 | 75% | 0.753 | S | S | * | * | | | trans | -154.7 | 0 | 143.9 | -132.9 | 170.4 | 16.2 | 0 | 0 | 111.2 | | |