| 1 | M | 37.6 | Very low | 32.4 | Very low | 239 Ų | 239 | 153.6 Ų | 153.6 | 100% | 1.177 | 82% | 0.816 | S | S | * | * | | | | 0 | 131.2 | 0 | -74.9 | 161.4 | 64.3 | 0 | 0 | 107.3 | | |
| 2 | Y | 32 | Very low | 32.4 | Very low | 234 Ų | 234 | 152.2 Ų | 152.2 | 92% | 0.918 | 82% | 0.817 | S | S | * | * | | | trans | -75.8 | 156 | 174.7 | -81.9 | -88.2 | 0 | 0 | 0 | 111.1 | | |
| 3 | P | 34.9 | Very low | 31.9 | Very low | 97 Ų | 97 | 152.9 Ų | 152.9 | 63% | 0.63 | 82% | 0.821 | S | S | * | * | | | trans | -82 | 140.6 | -167.2 | -9.9 | 27.9 | 0 | 0 | 0 | 113.3 | Y5 | P3-Y5 HydrophobicContact CB-CD2 4.2Å; P3-Y5 HydrophobicContact CB-CE2 4.14Å; P3-Y5 HydrophobicContact CG-CE2 4.35Å; P3-Y5 PolarHBondContact O-N 3.48Å |
| 4 | S | 33.8 | Very low | 31.7 | Very low | 125 Ų | 125 | 149.6 Ų | 149.6 | 87% | 0.874 | 81% | 0.812 | S | S | * | * | | | trans | -73.5 | 108.5 | 165.8 | 155.1 | 0 | 0 | 0 | 0 | 109.7 | | |
| 5 | Y | 33.1 | Very low | 31.5 | Very low | 186 Ų | 186 | 148.6 Ų | 148.6 | 73% | 0.729 | 80% | 0.804 | S | S | * | * | | | trans | -93.7 | 121.7 | 176.5 | -95.5 | -87 | 0 | 0 | 0 | 113 | P3 | P3-Y5 HydrophobicContact CB-CD2 4.2Å; P3-Y5 HydrophobicContact CB-CE2 4.14Å; P3-Y5 HydrophobicContact CG-CE2 4.35Å; P3-Y5 PolarHBondContact O-N 3.48Å |
| 6 | N | 31.6 | Very low | 31.5 | Very low | 115 Ų | 115 | 148.8 Ų | 148.8 | 62% | 0.615 | 80% | 0.804 | S | S | * | * | | | trans | 52.5 | 113 | 138.2 | -70.2 | -4.3 | 0 | 0 | 0 | 122.3 | | |
| 7 | N | 29.8 | Very low | 31.5 | Very low | 132 Ų | 132 | 148.2 Ų | 148.2 | 71% | 0.706 | 80% | 0.801 | S | S | * | * | | | | 60.9 | 104.6 | 114.5 | -53.8 | -17.7 | 0 | 0 | 0 | 120.8 | | |
| 8 | S | 34.3 | Very low | 31.3 | Very low | 115 Ų | 115 | 146.6 Ų | 146.6 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | | | | -159.8 | 100.8 | 127.3 | 55.3 | 0 | 0 | 0 | 0 | 108.4 | | |
| 9 | C | 26.5 | Very low | 31.5 | Very low | 113 Ų | 113 | 144.9 Ų | 144.9 | 76% | 0.764 | 79% | 0.794 | S | S | * | * | | | | 50.9 | 89.6 | 75.6 | -62.3 | 0 | 0 | 0 | 0 | 113.7 | | |
| 10 | K | 33.9 | Very low | 31.4 | Very low | 208 Ų | 208 | 147.6 Ų | 147.6 | 90% | 0.904 | 80% | 0.797 | S | S | * | * | | | trans | -149.5 | 105.8 | 143.3 | -111.6 | 171.3 | -172.6 | 178.6 | 0 | 109.8 | | |
| 11 | C | 28.9 | Very low | 31.5 | Very low | 126 Ų | 126 | 148 Ų | 148 | 85% | 0.851 | 80% | 0.797 | S | S | * | * | | | trans | -83.9 | 134.1 | 177.5 | -53.5 | 0 | 0 | 0 | 0 | 109.6 | | |
| 12 | T | 32.7 | Very low | 30.9 | Very low | 136 Ų | 136 | 142.1 Ų | 142.1 | 83% | 0.834 | 78% | 0.779 | S | S | * | * | | | trans | -129.6 | 96.9 | 166.7 | 49.3 | 0 | 0 | 0 | 0 | 110.8 | | |
| 13 | N | 25.6 | Very low | 30.9 | Very low | 162 Ų | 162 | 135.7 Ų | 135.7 | 87% | 0.866 | 77% | 0.769 | S | S | * | * | | | trans | 56 | 147.2 | 158.8 | -70.7 | -9.9 | 0 | 0 | 0 | 122.5 | | |
| 14 | P | 28.8 | Very low | 30.5 | Very low | 106 Ų | 106 | 136 Ų | 136 | 69% | 0.688 | 77% | 0.773 | S | S | * | * | | | trans | -108.1 | -167.7 | -177.1 | 34.7 | -15.6 | 0 | 0 | 0 | 112.1 | | |
| 15 | I | 28.6 | Very low | 30.2 | Very low | 135 Ų | 135 | 140.7 Ų | 140.7 | 69% | 0.692 | 77% | 0.773 | S | S | * | * | | | trans | 78.8 | 84 | 168.3 | -48.2 | 157.2 | 0 | 0 | 0 | 114.3 | | |
| 16 | N | 32.2 | Very low | 29.9 | Very low | 151 Ų | 151 | 143.8 Ų | 143.8 | 81% | 0.807 | 78% | 0.784 | S | S | * | * | | | | -145.8 | 91.3 | 123.3 | -106.6 | -29.5 | 0 | 0 | 0 | 110.9 | | |
| 17 | N | 30.8 | Very low | 29.8 | Very low | 140 Ų | 140 | 146.1 Ų | 146.1 | 75% | 0.749 | 80% | 0.796 | S | S | * | * | | | trans | 23.1 | 100.7 | 152 | -60.8 | -20 | 0 | 0 | 0 | 118.5 | | |
| 18 | V | 29 | Very low | 29.7 | Very low | 119 Ų | 119 | 143.2 Ų | 143.2 | 72% | 0.721 | 80% | 0.797 | S | S | * | * | | | trans | -89.3 | 121.1 | 161 | 176.4 | 0 | 0 | 0 | 0 | 109.2 | K20 | V18-K20 HydrophobicContact CG1-CG 4.18Å; V18-K20 PolarHBondContact O-N 3.35Å |
| 19 | P | 34.3 | Very low | 29.4 | Very low | 115 Ų | 115 | 143.9 Ų | 143.9 | 75% | 0.747 | 80% | 0.801 | S | S | * | * | | | trans | -74.2 | 102 | 157.8 | -3.5 | 21.2 | 0 | 0 | 0 | 107.8 | I21 | P19-I21 PolarHBondContact O-N 3.23Š|
| 20 | K | 30 | Very low | 29.7 | Very low | 197 Ų | 197 | 143.2 Ų | 143.2 | 86% | 0.857 | 80% | 0.803 | S | S | * | * | | | trans | -72.8 | 115.4 | 164.6 | -76.4 | -179.4 | 177.3 | 176.3 | 0 | 107.8 | V18 | V18-K20 HydrophobicContact CG1-CG 4.18Å; V18-K20 PolarHBondContact O-N 3.35Å |
| 21 | I | 32.5 | Very low | 29.7 | Very low | 157 Ų | 157 | 139.8 Ų | 139.8 | 81% | 0.805 | 80% | 0.8 | S | S | * | * | | | trans | -124 | 115.3 | 160 | -46.5 | -179.5 | 0 | 0 | 0 | 107.9 | P19 | P19-I21 PolarHBondContact O-N 3.23Š|
| 22 | S | 25.5 | Very low | 30 | Very low | 115 Ų | 115 | 142.9 Ų | 142.9 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | | | trans | -95.8 | 119.4 | 178.1 | 50.6 | 0 | 0 | 0 | 0 | 110.4 | | |
| 23 | S | 32.2 | Very low | 30 | Very low | 99 Ų | 99 | 141.8 Ų | 141.8 | 69% | 0.692 | 80% | 0.8 | S | S | * | * | | | trans | -155.6 | 105 | 159.6 | 59.5 | 0 | 0 | 0 | 0 | 112.4 | | |
| 24 | S | 27.5 | Very low | 30.4 | Very low | 103 Ų | 103 | 139.3 Ų | 139.3 | 72% | 0.72 | 80% | 0.795 | S | S | * | * | | | trans | 34.8 | 109.3 | 141.1 | 58.2 | 0 | 0 | 0 | 0 | 120.2 | | |
| 25 | Y | 27 | Very low | 30.6 | Very low | 225 Ų | 225 | 140.1 Ų | 140.1 | 88% | 0.882 | 80% | 0.801 | S | S | * | * | | | trans | 22.7 | 111.9 | 130.1 | -74.7 | -94.1 | 0 | 0 | 0 | 118.9 | | |
| 26 | R | 26.2 | Very low | 30.9 | Very low | 250 Ų | 250 | 143.4 Ų | 143.4 | 94% | 0.943 | 81% | 0.81 | S | S | * | * | | | | -152.9 | 133.8 | 125.8 | -127.7 | 178 | -173.7 | -166.1 | 1.7 | 112.1 | G28 | R26-G28 PolarHBondContact O-N 3.3Š|
| 27 | N | 29.4 | Very low | 30.9 | Very low | 164 Ų | 164 | 142.6 Ų | 142.6 | 88% | 0.877 | 81% | 0.81 | S | S | * | * | | | trans | -65.9 | 119.2 | 175.3 | -64.6 | -28.1 | 0 | 0 | 0 | 109.9 | | |
| 28 | G | 28.6 | Very low | 31.2 | Very low | 71 Ų | 71 | 143 Ų | 143 | 73% | 0.732 | 81% | 0.81 | S | S | * | * | | | trans | -122.1 | 119.7 | 165 | 0 | 0 | 0 | 0 | 0 | 108.5 | R26 A30 | R26-G28 PolarHBondContact O-N 3.3Å; G28-A30 PolarHBondContact O-N 3.22Å |
| 29 | C | 27.5 | Very low | 31.6 | Very low | 130 Ų | 130 | 142.5 Ų | 142.5 | 88% | 0.878 | 81% | 0.81 | S | S | * | * | | | trans | -60.5 | 130.8 | -178.3 | -63.8 | 0 | 0 | 0 | 0 | 110.7 | T31 | C29-T31 PolarHBondContact O-N 3.02Å; C29-T31 VanDerWaalsContact O-N 3.09Å |
| 30 | A | 33.2 | Very low | 31.5 | Very low | 99 Ų | 99 | 148.6 Ų | 148.6 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | | | trans | -65.7 | 108.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110 | G28 E32 | G28-A30 PolarHBondContact O-N 3.22Å; A30-E32 PolarHBondContact O-N 3.04Å |
| 31 | T | 32.9 | Very low | 31.6 | Very low | 136 Ų | 136 | 145.2 Ų | 145.2 | 83% | 0.834 | 81% | 0.809 | S | S | * | * | | | trans | -69 | 114.3 | 166.5 | 23.2 | 0 | 0 | 0 | 0 | 108.9 | C29 S33 | C29-T31 PolarHBondContact O-N 3.02Å; C29-T31 VanDerWaalsContact O-N 3.09Å; T31-S33 PolarHBondContact O-N 3.32Å; T31-S33 VanDerWaalsContact O-N 3.15Å |
| 32 | E | 35.3 | Very low | 31.8 | Very low | 190 Ų | 190 | 147.1 Ų | 147.1 | 89% | 0.888 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 117.6 | 177.3 | -63 | -178.5 | 157.2 | 0 | 0 | 110 | A30 S34 | A30-E32 PolarHBondContact O-N 3.04Å; E32-S34 PolarHBondContact O-N 3.36Å |
| 33 | S | 34.1 | Very low | 32.3 | Very low | 114 Ų | 114 | 148.9 Ų | 148.9 | 80% | 0.797 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 119.3 | -176.1 | 58.4 | 0 | 0 | 0 | 0 | 110.9 | T31 | T31-S33 PolarHBondContact O-N 3.32Å; T31-S33 VanDerWaalsContact O-N 3.15Å |
| 34 | S | 33.8 | Very low | 32.1 | Very low | 109 Ų | 109 | 151.7 Ų | 151.7 | 76% | 0.762 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -49.7 | 140.1 | 172.9 | -49.4 | 0 | 0 | 0 | 0 | 111.8 | E32 K36 | E32-S34 PolarHBondContact O-N 3.36Å; S34-K36 PolarHBondContact O-N 3.21Å |
| 35 | P | 33.1 | Very low | 32.4 | Very low | 124 Ų | 124 | 151.2 Ų | 151.2 | 81% | 0.805 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 125 | -172.1 | 23.9 | -33.7 | 0 | 0 | 0 | 112.1 | V37 | P35-V37 PolarHBondContact O-N 3.16Å; P35-V37 VanDerWaalsContact O-N 3.12Å |
| 36 | K | 33.5 | Very low | 32.6 | Very low | 203 Ų | 203 | 144.8 Ų | 144.8 | 88% | 0.883 | 81% | 0.81 | S | S | * | * | | | trans | -68.6 | 105.2 | -178.5 | -161.3 | 173.2 | -172.9 | 176.6 | 0 | 109.9 | S34 I38 | S34-K36 PolarHBondContact O-N 3.21Å; K36-I38 PolarHBondContact O-N 3Å; K36-I38 VanDerWaalsContact O-N 3.1Å |
| 37 | V | 33.4 | Very low | 32.8 | Very low | 134 Ų | 134 | 137.4 Ų | 137.4 | 81% | 0.812 | 80% | 0.797 | S | S | * | * | | | trans | -64.9 | 110.4 | 178.7 | 178.9 | 0 | 0 | 0 | 0 | 109.5 | P35 P39 | P35-V37 PolarHBondContact O-N 3.16Å; P35-V37 VanDerWaalsContact O-N 3.12Å; V37-P39 WeakPolarHBondContact O-CD 3.46Å |
| 38 | I | 36.8 | Very low | 33 | Very low | 148 Ų | 148 | 135.9 Ų | 135.9 | 76% | 0.759 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 120.5 | 175.3 | -59.1 | 174.4 | 0 | 0 | 0 | 108.1 | K36 R40 | K36-I38 PolarHBondContact O-N 3Å; K36-I38 VanDerWaalsContact O-N 3.1Å; I38-R40 PolarHBondContact O-N 3.05Å |
| 39 | P | 37.1 | Very low | 33 | Very low | 109 Ų | 109 | 140.2 Ų | 140.2 | 71% | 0.708 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 124.6 | 175.7 | 27 | -32.8 | 0 | 0 | 0 | 109.8 | V37 N41 | V37-P39 WeakPolarHBondContact O-CD 3.46Å; P39-N41 PolarHBondContact O-N 3.38Å |
| 40 | R | 31.8 | Very low | 33.3 | Very low | 244 Ų | 244 | 140.2 Ų | 140.2 | 92% | 0.921 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 127.9 | 173.3 | -80.6 | -179.2 | 171.3 | 157 | -2.6 | 109.7 | I38 K42 | I38-R40 PolarHBondContact O-N 3.05Å; R40-K42 PolarHBondContact O-N 3.39Å |
| 41 | N | 32.3 | Very low | 33.1 | Very low | 126 Ų | 126 | 145.1 Ų | 145.1 | 67% | 0.674 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 130 | 177.4 | -81.9 | -8.6 | 0 | 0 | 0 | 111.6 | P39 H43 | P39-N41 PolarHBondContact O-N 3.38Å; N41-H43 VanDerWaalsContact CB-CD2 3.42Å; N41-H43 WeakPolarHBondContact CB-CD2 3.44Å; N41-H43 PolarHBondContact ND2-NE2 3.41Å; N41-H43 PolarHBondContact O-N 2.99Å |
| 42 | K | 36.9 | Very low | 33 | Very low | 196 Ų | 196 | 146.7 Ų | 146.7 | 85% | 0.852 | 79% | 0.791 | S | S | * | * | | | trans | -73.6 | 71.8 | 167.5 | -65 | -179.4 | 178.8 | -179.6 | 0 | 110 | R40 N44 | R40-K42 PolarHBondContact O-N 3.39Å; K42-N44 PolarHBondContact O-N 3.49Å; K42-N44 VanDerWaalsContact O-N 3.13Å |
| 43 | H | 35 | Very low | 32.8 | Very low | 153 Ų | 153 | 145.8 Ų | 145.8 | 71% | 0.708 | 79% | 0.787 | S | S | * | * | | | trans | -77.5 | 97 | 168.5 | -77.1 | -68.1 | 0 | 0 | 0 | 109.4 | N41 A45 | N41-H43 VanDerWaalsContact CB-CD2 3.42Å; N41-H43 WeakPolarHBondContact CB-CD2 3.44Å; N41-H43 PolarHBondContact ND2-NE2 3.41Å; N41-H43 PolarHBondContact O-N 2.99Å; H43-A45 PolarHBondContact O-N 3.3Å |
| 44 | N | 29.6 | Very low | 32.7 | Very low | 157 Ų | 157 | 146.6 Ų | 146.6 | 84% | 0.84 | 78% | 0.782 | S | S | * | * | | | trans | -67.1 | 75.9 | 170.1 | -69.8 | -12.7 | 0 | 0 | 0 | 110.2 | K42 A46 | K42-N44 PolarHBondContact O-N 3.49Å; K42-N44 VanDerWaalsContact O-N 3.13Å; N44-A46 PolarHBondContact O-N 3.47Å |
| 45 | A | 32.6 | Very low | 32.6 | Very low | 93 Ų | 93 | 147.9 Ų | 147.9 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | | | trans | -81.6 | 86.1 | 167.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | H43 S47 | H43-A45 PolarHBondContact O-N 3.3Å; A45-S47 VanDerWaalsContact C-N 3.32Å; A45-S47 PolarHBondContact O-N 3.12Å |
| 46 | A | 32.7 | Very low | 32.5 | Very low | 90 Ų | 90 | 153.2 Ų | 153.2 | 74% | 0.744 | 79% | 0.785 | S | S | * | * | | | trans | -69.3 | 88.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | N44 T48 | N44-A46 PolarHBondContact O-N 3.47Å; A46-T48 PolarHBondContact O-N 3.45Å |
| 47 | S | 30.4 | Very low | 32.6 | Very low | 96 Ų | 96 | 150.4 Ų | 150.4 | 67% | 0.671 | 78% | 0.78 | S | S | * | * | | | trans | -73.7 | 95.2 | 172.8 | -172.9 | 0 | 0 | 0 | 0 | 109.6 | A45 Q49 | A45-S47 VanDerWaalsContact C-N 3.32Å; A45-S47 PolarHBondContact O-N 3.12Å; S47-Q49 PolarHBondContact O-N 3.29Å |
| 48 | T | 31.8 | Very low | 32.6 | Very low | 132 Ų | 132 | 149.5 Ų | 149.5 | 81% | 0.81 | 78% | 0.779 | S | S | * | * | | | trans | -73.8 | 60.6 | 171 | 38.2 | 0 | 0 | 0 | 0 | 111.2 | A46 V50 | A46-T48 PolarHBondContact O-N 3.45Å; T48-V50 PolarHBondContact O-N 3.32Å; T48-V50 VanDerWaalsContact O-N 3.15Å |
| 49 | Q | 29.5 | Very low | 32.2 | Very low | 162 Ų | 162 | 148.9 Ų | 148.9 | 76% | 0.757 | 78% | 0.777 | S | S | * | * | | | trans | -75.7 | 102.1 | 163.5 | -81.4 | -171.5 | -18.5 | 0 | 0 | 109.1 | S47 F51 | S47-Q49 PolarHBondContact O-N 3.29Å; Q49-F51 PolarHBondContact O-N 3.16Å; Q49-F51 VanDerWaalsContact O-N 3.14Å |
| 50 | V | 33.5 | Very low | 32 | Very low | 129 Ų | 129 | 152.9 Ų | 152.9 | 78% | 0.782 | 78% | 0.784 | S | S | * | * | | | trans | -54.2 | 115.4 | 168.2 | -179.7 | 0 | 0 | 0 | 0 | 107.7 | T48 Q52 | T48-V50 PolarHBondContact O-N 3.32Å; T48-V50 VanDerWaalsContact O-N 3.15Å; V50-Q52 VanDerWaalsContact C-N 3.35Å; V50-Q52 PolarHBondContact O-N 2.9Å |
| 51 | F | 30.1 | Very low | 32 | Very low | 203 Ų | 203 | 147 Ų | 147 | 89% | 0.89 | 78% | 0.78 | S | S | * | * | | | trans | -64.5 | 98.9 | 170.5 | -85.7 | -90.4 | 0 | 0 | 0 | 108.1 | Q49 Q53 | Q49-F51 PolarHBondContact O-N 3.16Å; Q49-F51 VanDerWaalsContact O-N 3.14Å; F51-Q53 VanDerWaalsContact C-N 3.35Å; F51-Q53 PolarHBondContact O-N 2.82Å |
| 52 | Q | 29.8 | Very low | 32 | Very low | 169 Ų | 169 | 144.4 Ų | 144.4 | 79% | 0.79 | 78% | 0.776 | S | S | * | * | | | trans | -61.6 | 104.1 | 162.6 | -79.2 | -177.1 | -23.2 | 0 | 0 | 107.2 | V50 N54 | V50-Q52 VanDerWaalsContact C-N 3.35Å; V50-Q52 PolarHBondContact O-N 2.9Å; Q52-N54 VanDerWaalsContact C-N 3.33Å; Q52-N54 PolarHBondContact O-N 2.92Å |
| 53 | Q | 30.6 | Very low | 31.9 | Very low | 171 Ų | 171 | 140 Ų | 140 | 80% | 0.799 | 77% | 0.77 | S | S | * | * | | | trans | -66.8 | 94.4 | 177.1 | -173.2 | 170 | 3.4 | 0 | 0 | 107.3 | F51 N55 | F51-Q53 VanDerWaalsContact C-N 3.35Å; F51-Q53 PolarHBondContact O-N 2.82Å; Q53-N55 PolarHBondContact O-N 2.89Å |
| 54 | N | 31.9 | Very low | 31.8 | Very low | 130 Ų | 130 | 138.7 Ų | 138.7 | 70% | 0.695 | 77% | 0.773 | S | S | * | * | | | trans | -60.9 | 103.7 | 175 | -79 | -30.4 | 0 | 0 | 0 | 108.3 | Q52 W56 | Q52-N54 VanDerWaalsContact C-N 3.33Å; Q52-N54 PolarHBondContact O-N 2.92Å; N54-W56 PolarHBondContact O-N 3.01Å |
| 55 | N | 32 | Very low | 32.1 | Very low | 136 Ų | 136 | 138.3 Ų | 138.3 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | | | trans | -63.3 | 97.9 | 169 | -72.3 | -23.4 | 0 | 0 | 0 | 107.9 | Q53 D57 | Q53-N55 PolarHBondContact O-N 2.89Å; N55-D57 PolarHBondContact O-N 3.06Å |
| 56 | W | 32.1 | Very low | 32 | Very low | 236 Ų | 236 | 141.2 Ų | 141.2 | 89% | 0.894 | 77% | 0.772 | S | S | * | * | | | trans | -77 | 99.5 | 164.1 | -82.2 | 64.4 | 0 | 0 | 0 | 106.9 | N54 S58 | N54-W56 PolarHBondContact O-N 3.01Å; W56-S58 PolarHBondContact O-N 3.38Å |
| 57 | D | 33.8 | Very low | 32.1 | Very low | 144 Ų | 144 | 141.6 Ų | 141.6 | 77% | 0.77 | 77% | 0.767 | S | S | * | * | | | trans | -49.7 | 123.4 | 176 | -79.6 | -44.3 | 0 | 0 | 0 | 110.4 | N55 N59 | N55-D57 PolarHBondContact O-N 3.06Å; D57-N59 PolarHBondContact O-N 3.07Å |
| 58 | S | 33.9 | Very low | 32.4 | Very low | 115 Ų | 115 | 142.5 Ų | 142.5 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -69.6 | 7.3 | -176.7 | 43 | 0 | 0 | 0 | 0 | 114.3 | W56 | W56-S58 PolarHBondContact O-N 3.38Š|
| 59 | N | 29.8 | Very low | 32.6 | Very low | 135 Ų | 135 | 140.1 Ų | 140.1 | 72% | 0.722 | 76% | 0.757 | S | S | * | * | | | trans | -111.3 | 66.1 | -171.1 | -72 | -26.6 | 0 | 0 | 0 | 112.7 | D57 | D57-N59 PolarHBondContact O-N 3.07Š|
| 60 | K | 31.2 | Very low | 32.6 | Very low | 193 Ų | 193 | 142.5 Ų | 142.5 | 84% | 0.839 | 76% | 0.761 | S | S | * | * | | | trans | -158.5 | 80.5 | 150.7 | -108.8 | 155.7 | -165.3 | 175.2 | 0 | 110.7 | A62 | K60-A62 PolarHBondContact O-N 3.32Š|
| 61 | S | 31.6 | Very low | 32.6 | Very low | 122 Ų | 122 | 142.7 Ų | 142.7 | 85% | 0.853 | 76% | 0.757 | S | S | * | * | | | trans | -66 | 53.3 | 158.6 | 42.9 | 0 | 0 | 0 | 0 | 111.3 | S63 | S61-S63 PolarHBondContact O-N 2.83Š|
| 62 | A | 34 | Very low | 32.8 | Very low | 71 Ų | 71 | 143.8 Ų | 143.8 | 59% | 0.587 | 76% | 0.755 | S | S | * | * | | | trans | -75.9 | 80.6 | 169 | 0 | 0 | 0 | 0 | 0 | 108.2 | K60 T64 | K60-A62 PolarHBondContact O-N 3.32Å; A62-T64 PolarHBondContact O-N 3.32Å |
| 63 | S | 34.8 | Very low | 32.9 | Very low | 102 Ų | 102 | 146.8 Ų | 146.8 | 71% | 0.713 | 76% | 0.759 | S | S | * | * | | | trans | -63.4 | 85.1 | 163.4 | 45.6 | 0 | 0 | 0 | 0 | 108.4 | S61 L65 | S61-S63 PolarHBondContact O-N 2.83Å; S63-L65 VanDerWaalsContact C-N 3.29Å; S63-L65 PolarHBondContact O-N 3.31Å |
| 64 | T | 31.5 | Very low | 33 | Very low | 126 Ų | 126 | 145.6 Ų | 145.6 | 77% | 0.773 | 76% | 0.757 | S | S | * | * | | | trans | -62.3 | 94.2 | 169 | 35.8 | 0 | 0 | 0 | 0 | 108.3 | A62 L66 | A62-T64 PolarHBondContact O-N 3.32Å; T64-L66 PolarHBondContact O-N 2.91Å |
| 65 | L | 35.8 | Very low | 33 | Very low | 150 Ų | 150 | 147.8 Ų | 147.8 | 79% | 0.785 | 76% | 0.757 | S | S | * | * | | | trans | -54 | 113.5 | 170.7 | -81.5 | 104.7 | 0 | 0 | 0 | 107.9 | S63 | S63-L65 VanDerWaalsContact C-N 3.29Å; S63-L65 PolarHBondContact O-N 3.31Å |
| 66 | L | 32.1 | Very low | 32.9 | Very low | 153 Ų | 153 | 150.7 Ų | 150.7 | 80% | 0.801 | 76% | 0.764 | S | S | * | * | | | trans | -57 | 136.7 | 170.2 | -79.6 | 162.7 | 0 | 0 | 0 | 108.6 | T64 T68 | T64-L66 PolarHBondContact O-N 2.91Å; L66-T68 PolarHBondContact O-N 3.22Å; L66-T68 VanDerWaalsContact O-N 3.11Å |
| 67 | P | 34.7 | Very low | 33.1 | Very low | 99 Ų | 99 | 146.1 Ų | 146.1 | 64% | 0.643 | 76% | 0.756 | S | S | * | * | | | trans | -55.4 | 120.1 | -174.4 | -27.2 | 34.4 | 0 | 0 | 0 | 112.3 | S69 | P67-S69 PolarHBondContact O-N 3.36Š|
| 68 | T | 36.5 | Very low | 33.1 | Very low | 114 Ų | 114 | 146.3 Ų | 146.3 | 70% | 0.699 | 76% | 0.757 | S | S | * | * | G | 310 helix | trans | -65.1 | 1.3 | -177.8 | 33.2 | 0 | 0 | 0 | 0 | 114.5 | L66 Y70 | L66-T68 PolarHBondContact O-N 3.22Å; L66-T68 VanDerWaalsContact O-N 3.11Å; T68-Y70 VanDerWaalsContact C-N 3.33Å; T68-Y70 PolarHBondContact O-N 3.05Å |
| 69 | S | 35.1 | Very low | 32.9 | Very low | 83 Ų | 83 | 146.3 Ų | 146.3 | 58% | 0.58 | 76% | 0.757 | S | S | * | * | G | 310 helix | trans | -66.4 | -27.4 | 178.6 | 56.9 | 0 | 0 | 0 | 0 | 114 | P67 | P67-S69 PolarHBondContact O-N 3.36Š|
| 70 | Y | 29.8 | Very low | 33.1 | Very low | 211 Ų | 211 | 146.5 Ų | 146.5 | 83% | 0.827 | 76% | 0.756 | S | S | * | * | G | 310 helix | trans | -76.7 | -26.2 | -178.5 | -103.2 | -88.8 | 0 | 0 | 0 | 114.6 | T68 | T68-Y70 VanDerWaalsContact C-N 3.33Å; T68-Y70 PolarHBondContact O-N 3.05Å |
| 71 | L | 33.1 | Very low | 33 | Very low | 134 Ų | 134 | 145.8 Ų | 145.8 | 70% | 0.702 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.2 | -20.9 | 177.6 | -70.7 | 174 | 0 | 0 | 0 | 113 | R73 | L71-R73 PolarHBondContact O-N 3.05Å; L71-R73 VanDerWaalsContact O-N 3.16Å |
| 72 | R | 33.8 | Very low | 32.9 | Very low | 225 Ų | 225 | 147.2 Ų | 147.2 | 85% | 0.849 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.9 | -5 | -172 | -132 | -178.4 | -162.7 | -168.9 | 6 | 115.6 | | |
| 73 | R | 31.9 | Very low | 32.7 | Very low | 232 Ų | 232 | 149.4 Ų | 149.4 | 88% | 0.875 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98 | -6.7 | -179.7 | -158.2 | 173.9 | -77.9 | -173.5 | -2.8 | 114.4 | L71 | L71-R73 PolarHBondContact O-N 3.05Å; L71-R73 VanDerWaalsContact O-N 3.16Å |
| 74 | L | 33 | Very low | 32.6 | Very low | 146 Ų | 146 | 150.7 Ų | 150.7 | 76% | 0.764 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -102.3 | -8.8 | 178.7 | -72.3 | 176.5 | 0 | 0 | 0 | 115 | | |
| 75 | Y | 31.6 | Very low | 32.5 | Very low | 176 Ų | 176 | 154.5 Ų | 154.5 | 69% | 0.69 | 76% | 0.761 | S | S | * | * | | | trans | -125.5 | 76.4 | 175.8 | -64.1 | -82.9 | 0 | 0 | 0 | 111.3 | L77 | Y75-L77 HydrophobicContact CD1-CD1 3.97Å; Y75-L77 HydrophobicContact CD1-CG 4.45Å; Y75-L77 PolarHBondContact O-N 3.15Å; Y75-L77 VanDerWaalsContact O-N 3.1Å |
| 76 | K | 31.7 | Very low | 32.2 | Very low | 198 Ų | 198 | 155.2 Ų | 155.2 | 86% | 0.861 | 76% | 0.762 | S | S | * | * | | | trans | -74.5 | 76.1 | 144.7 | -89.3 | -165.9 | 170.8 | -166.9 | 0 | 107.4 | | |
| 77 | L | 36.1 | Very low | 31.9 | Very low | 139 Ų | 139 | 152.7 Ų | 152.7 | 73% | 0.728 | 76% | 0.757 | S | S | * | * | | | trans | -87 | 121.8 | 153.9 | -80.4 | 164.1 | 0 | 0 | 0 | 105.5 | Y75 S79 | Y75-L77 HydrophobicContact CD1-CD1 3.97Å; Y75-L77 HydrophobicContact CD1-CG 4.45Å; Y75-L77 PolarHBondContact O-N 3.15Å; Y75-L77 VanDerWaalsContact O-N 3.1Å; L77-S79 PolarHBondContact O-N 3.29Å |
| 78 | D | 33.5 | Very low | 31.6 | Very low | 149 Ų | 149 | 155.4 Ų | 155.4 | 80% | 0.797 | 77% | 0.765 | S | S | * | * | | | trans | -66.7 | 98.2 | 177 | -66.5 | -53.1 | 0 | 0 | 0 | 108.4 | I80 | D78-I80 VanDerWaalsContact C-N 3.3Å; D78-I80 PolarHBondContact O-N 3.09Å |
| 79 | S | 29.5 | Very low | 31.3 | Very low | 114 Ų | 114 | 155.1 Ų | 155.1 | 80% | 0.797 | 77% | 0.765 | S | S | * | * | | | trans | -68.5 | 92 | 174.5 | -176.9 | 0 | 0 | 0 | 0 | 108.4 | L77 K81 | L77-S79 PolarHBondContact O-N 3.29Å; S79-K81 PolarHBondContact O-N 3.48Å |
| 80 | I | 33.1 | Very low | 30.8 | Very low | 140 Ų | 140 | 158.7 Ų | 158.7 | 72% | 0.718 | 78% | 0.778 | S | S | * | * | | | trans | -51.7 | 127.1 | 166.3 | -62.1 | 172.2 | 0 | 0 | 0 | 107.2 | D78 N82 | D78-I80 VanDerWaalsContact C-N 3.3Å; D78-I80 PolarHBondContact O-N 3.09Å; I80-N82 PolarHBondContact O-N 3.2Å |
| 81 | K | 29.1 | Very low | 30.8 | Very low | 177 Ų | 177 | 153.4 Ų | 153.4 | 77% | 0.77 | 77% | 0.771 | S | S | * | * | | | trans | -69.2 | 99 | 177.7 | -72.9 | -179.5 | 174.4 | -177.4 | 0 | 109 | S79 N83 | S79-K81 PolarHBondContact O-N 3.48Å; K81-N83 PolarHBondContact O-N 2.98Å |
| 82 | N | 31.1 | Very low | 30.5 | Very low | 153 Ų | 153 | 154.1 Ų | 154.1 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | | | trans | -77.4 | 83.8 | 156.5 | -71.9 | 1.4 | 0 | 0 | 0 | 107.1 | I80 | I80-N82 PolarHBondContact O-N 3.2Š|
| 83 | N | 28.1 | Very low | 30.3 | Very low | 116 Ų | 116 | 150.3 Ų | 150.3 | 62% | 0.62 | 77% | 0.773 | S | S | * | * | | | trans | -73.9 | 168.7 | 160.8 | -90.8 | 28.1 | 0 | 0 | 0 | 109.5 | K81 | K81-N83 PolarHBondContact O-N 2.98Š|
| 84 | D | 33.1 | Very low | 30.1 | Very low | 130 Ų | 130 | 146.2 Ų | 146.2 | 70% | 0.695 | 77% | 0.773 | S | S | * | * | | | trans | 80.5 | 80.5 | 162.6 | -47.7 | -30.3 | 0 | 0 | 0 | 115.8 | M86 | D84-M86 VanDerWaalsContact C-N 3.29Å; D84-M86 PolarHBondContact O-N 2.98Å |
| 85 | E | 28.8 | Very low | 29.9 | Very low | 205 Ų | 205 | 147.2 Ų | 147.2 | 96% | 0.958 | 77% | 0.774 | S | S | * | * | | | trans | -48.5 | 94 | 142.3 | -63.6 | 173.9 | 138.4 | 0 | 0 | 109.7 | S87 | E85-S87 PolarHBondContact O-N 3.11Š|
| 86 | M | 30.5 | Very low | 29.8 | Very low | 165 Ų | 165 | 146.1 Ų | 146.1 | 81% | 0.813 | 78% | 0.78 | S | S | * | * | | | trans | -94.3 | 96.6 | 164.7 | -121.7 | -178.7 | -74.7 | 0 | 0 | 109.6 | D84 I88 | D84-M86 VanDerWaalsContact C-N 3.29Å; D84-M86 PolarHBondContact O-N 2.98Å; M86-I88 PolarHBondContact O-N 3.19Å |
| 87 | S | 26.5 | Very low | 29.5 | Very low | 100 Ų | 100 | 148 Ų | 148 | 70% | 0.699 | 78% | 0.783 | S | S | * | * | | | trans | -32.9 | 125.2 | 167.4 | 51 | 0 | 0 | 0 | 0 | 113.7 | E85 P89 | E85-S87 PolarHBondContact O-N 3.11Å; S87-P89 WeakPolarHBondContact O-CD 3.43Å |
| 88 | I | 27.4 | Very low | 29.1 | Very low | 156 Ų | 156 | 148.7 Ų | 148.7 | 80% | 0.8 | 79% | 0.788 | S | S | * | * | | | trans | -67.6 | 113.8 | 174.7 | -59.2 | 166.2 | 0 | 0 | 0 | 109.4 | M86 N90 | M86-I88 PolarHBondContact O-N 3.19Å; I88-N90 PolarHBondContact O-N 3.32Å |
| 89 | P | 29.6 | Very low | 28.9 | Very low | 108 Ų | 108 | 150.5 Ų | 150.5 | 70% | 0.701 | 79% | 0.792 | S | S | * | * | | | trans | -85 | 112.7 | 171.2 | -1.8 | 22.9 | 0 | 0 | 0 | 108.6 | S87 S91 | S87-P89 WeakPolarHBondContact O-CD 3.43Å; P89-S91 PolarHBondContact O-N 3.24Å |
| 90 | N | 25.7 | Very low | 28.9 | Very low | 158 Ų | 158 | 152.7 Ų | 152.7 | 85% | 0.845 | 79% | 0.793 | S | S | * | * | | | trans | -66.1 | 98.9 | 166.4 | -94.2 | -15.9 | 0 | 0 | 0 | 109.3 | I88 | I88-N90 PolarHBondContact O-N 3.32Š|
| 91 | S | 29.7 | Very low | 28.6 | Very low | 100 Ų | 100 | 154.5 Ų | 154.5 | 70% | 0.699 | 80% | 0.798 | S | S | * | * | | | trans | -129.9 | 101.1 | 161.9 | 62 | 0 | 0 | 0 | 0 | 109.8 | P89 N93 | P89-S91 PolarHBondContact O-N 3.24Å; S91-N93 PolarHBondContact O-N 3.41Å; S91-N93 VanDerWaalsContact O-N 3.14Å |
| 92 | N | 27 | Very low | 28.6 | Very low | 149 Ų | 149 | 153.7 Ų | 153.7 | 80% | 0.797 | 80% | 0.802 | S | S | * | * | | | trans | -61.7 | 111.4 | 169.7 | -56.9 | -39.1 | 0 | 0 | 0 | 108.6 | | |
| 93 | N | 28.4 | Very low | 28.3 | Very low | 146 Ų | 146 | 149.7 Ų | 149.7 | 78% | 0.781 | 80% | 0.797 | S | S | * | * | | | trans | -139.5 | 113.4 | 157.7 | -101.6 | -7 | 0 | 0 | 0 | 108.2 | S91 E95 | S91-N93 PolarHBondContact O-N 3.41Å; S91-N93 VanDerWaalsContact O-N 3.14Å; N93-E95 VanDerWaalsContact C-N 3.31Å; N93-E95 PolarHBondContact O-N 3.26Å; N93-E95 VanDerWaalsContact O-N 3.16Å |
| 94 | T | 27.9 | Very low | 28.2 | Very low | 145 Ų | 145 | 154.2 Ų | 154.2 | 89% | 0.89 | 81% | 0.806 | S | S | * | * | | | trans | -90.9 | 63.1 | -169.8 | -47.4 | 0 | 0 | 0 | 0 | 110.1 | | |
| 95 | E | 29.8 | Very low | 28 | Very low | 168 Ų | 168 | 156.3 Ų | 156.3 | 79% | 0.785 | 81% | 0.81 | S | S | * | * | | | trans | -129 | 129 | 178.1 | -75.6 | 176.6 | -178.9 | 0 | 0 | 111.1 | N93 | N93-E95 VanDerWaalsContact C-N 3.31Å; N93-E95 PolarHBondContact O-N 3.26Å; N93-E95 VanDerWaalsContact O-N 3.16Å |
| 96 | D | 28.9 | Very low | 28.1 | Very low | 152 Ų | 152 | 153.1 Ų | 153.1 | 81% | 0.813 | 80% | 0.799 | S | S | * | * | | | trans | 60.9 | 70.5 | 165.1 | -60.9 | -14.4 | 0 | 0 | 0 | 119.9 | N98 | D96-N98 VanDerWaalsContact C-N 3.26Å; D96-N98 PolarHBondContact O-N 2.94Å |
| 97 | Y | 25.8 | Very low | 28 | Very low | 237 Ų | 237 | 153 Ų | 153 | 93% | 0.929 | 80% | 0.797 | S | S | * | * | | | trans | -49.7 | 82.4 | 142.8 | -115.4 | -97.2 | 0 | 0 | 0 | 111.8 | | |
| 98 | N | 28 | Very low | 28.3 | Very low | 154 Ų | 154 | 154.5 Ų | 154.5 | 82% | 0.824 | 80% | 0.796 | S | S | * | * | | | trans | -161.9 | 17.4 | 165.9 | -101.8 | -31.6 | 0 | 0 | 0 | 116.8 | D96 | D96-N98 VanDerWaalsContact C-N 3.26Å; D96-N98 PolarHBondContact O-N 2.94Å |
| 99 | H | 29 | Very low | 28.3 | Very low | 188 Ų | 188 | 153.7 Ų | 153.7 | 87% | 0.87 | 79% | 0.793 | S | S | * | * | | | trans | -134.5 | 43.8 | -179 | -130.9 | 59.4 | 0 | 0 | 0 | 116 | | |
| 100 | I | 29.2 | Very low | 28.2 | Very low | 160 Ų | 160 | 157 Ų | 157 | 82% | 0.821 | 80% | 0.797 | S | S | * | * | | | trans | -130.4 | 69.2 | 165.7 | -45.9 | 179.2 | 0 | 0 | 0 | 110.3 | | |
| 101 | Q | 27.6 | Very low | 28.3 | Very low | 177 Ų | 177 | 157.8 Ų | 157.8 | 83% | 0.827 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -130.5 | 140.4 | 156.8 | -74.4 | -162.9 | -8.9 | 0 | 0 | 110.1 | | |
| 102 | N | 28.3 | Very low | 28.3 | Very low | 161 Ų | 161 | 158.6 Ų | 158.6 | 86% | 0.861 | 80% | 0.796 | S | S | * | * | S | Bend | trans | 76.2 | 36.7 | 167.4 | -53.4 | -27.8 | 0 | 0 | 0 | 119.2 | | |
| 103 | G | 25.3 | Very low | 28.6 | Very low | 68 Ų | 68 | 157.1 Ų | 157.1 | 70% | 0.701 | 80% | 0.795 | S | S | * | * | | | trans | -87.6 | -34.7 | 160.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | K105 | G103-K105 PolarHBondContact O-N 3.36Š|
| 104 | Y | 26.5 | Very low | 28.9 | Very low | 211 Ų | 211 | 159 Ų | 159 | 83% | 0.827 | 80% | 0.796 | S | S | * | * | | | trans | -88.8 | 54.6 | -167.7 | -64.1 | -77.2 | 0 | 0 | 0 | 114.9 | N106 | Y104-N106 PolarHBondContact O-N 3.1Š|
| 105 | K | 28.1 | Very low | 29.2 | Very low | 175 Ų | 175 | 158.6 Ų | 158.6 | 76% | 0.761 | 79% | 0.794 | S | S | * | * | | | trans | -87.9 | 85.9 | 157.8 | -89.5 | -176.1 | 177.4 | 174.4 | 0 | 109.4 | G103 Q107 | G103-K105 PolarHBondContact O-N 3.36Å; K105-Q107 VanDerWaalsContact C-N 3.26Å; K105-Q107 PolarHBondContact O-N 3.12Å |
| 106 | N | 30.2 | Very low | 29.6 | Very low | 138 Ų | 138 | 159.6 Ų | 159.6 | 74% | 0.738 | 80% | 0.795 | S | S | * | * | | | trans | -57.5 | 91.2 | 163.5 | -76.8 | -27.4 | 0 | 0 | 0 | 109.1 | Y104 L108 | Y104-N106 PolarHBondContact O-N 3.1Å; N106-L108 PolarHBondContact O-N 3.26Å |
| 107 | Q | 30.1 | Very low | 30 | Very low | 163 Ų | 163 | 161.6 Ų | 161.6 | 76% | 0.762 | 80% | 0.797 | S | S | * | * | | | trans | -69.3 | 82.8 | 164.5 | -72 | -171.6 | -1.3 | 0 | 0 | 107.8 | K105 N109 | K105-Q107 VanDerWaalsContact C-N 3.26Å; K105-Q107 PolarHBondContact O-N 3.12Å; Q107-N109 PolarHBondContact O-N 2.82Å |
| 108 | L | 31.4 | Very low | 30.5 | Very low | 130 Ų | 130 | 160.3 Ų | 160.3 | 68% | 0.681 | 80% | 0.796 | S | S | * | * | | | trans | -62 | 85.1 | 161.2 | -82 | 165.1 | 0 | 0 | 0 | 107.4 | N106 F110 | N106-L108 PolarHBondContact O-N 3.26Å; L108-F110 HydrophobicContact CB-CD2 4.24Å; L108-F110 HydrophobicContact CB-CE2 3.9Å; L108-F110 HydrophobicContact CB-CZ 4.49Å; L108-F110 WeakPolarHBondContact O-CD2 3.49Å; L108-F110 PolarHBondContact O-N 3.32Å |
| 109 | N | 27.9 | Very low | 31 | Very low | 140 Ų | 140 | 160.2 Ų | 160.2 | 75% | 0.749 | 80% | 0.796 | S | S | * | * | | | trans | -63.2 | 88 | 166.6 | -91.3 | -34.8 | 0 | 0 | 0 | 107.4 | Q107 Q111 | Q107-N109 PolarHBondContact O-N 2.82Å; N109-Q111 PolarHBondContact O-N 3.02Å |
| 110 | F | 27.8 | Very low | 31.2 | Very low | 176 Ų | 176 | 153.6 Ų | 153.6 | 77% | 0.772 | 78% | 0.779 | S | S | * | * | | | trans | -64.3 | 81.1 | 163.2 | -73.3 | -78.7 | 0 | 0 | 0 | 107.7 | L108 T112 | L108-F110 HydrophobicContact CB-CD2 4.24Å; L108-F110 HydrophobicContact CB-CE2 3.9Å; L108-F110 HydrophobicContact CB-CZ 4.49Å; L108-F110 WeakPolarHBondContact O-CD2 3.49Å; L108-F110 PolarHBondContact O-N 3.32Å; F110-T112 PolarHBondContact O-N 2.8Å |
| 111 | Q | 28.1 | Very low | 31.7 | Very low | 175 Ų | 175 | 152.1 Ų | 152.1 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | | | trans | -66.1 | 92.2 | 168.9 | -171.4 | 164.7 | 48.5 | 0 | 0 | 106.5 | N109 P113 | N109-Q111 PolarHBondContact O-N 3.02Å; Q111-P113 VanDerWaalsContact O-N 3.07Å |
| 112 | T | 29.3 | Very low | 32.1 | Very low | 117 Ų | 117 | 154.2 Ų | 154.2 | 72% | 0.718 | 78% | 0.779 | S | S | * | * | | | trans | -48.3 | 119.1 | 178.5 | 28.1 | 0 | 0 | 0 | 0 | 107.8 | F110 K114 | F110-T112 PolarHBondContact O-N 2.8Å; T112-K114 PolarHBondContact O-N 3.47Å |
| 113 | P | 33.2 | Very low | 32.7 | Very low | 118 Ų | 118 | 152 Ų | 152 | 77% | 0.766 | 77% | 0.766 | S | S | * | * | | | trans | -62.6 | 109.7 | -171.4 | 22.1 | -32 | 0 | 0 | 0 | 107.9 | Q111 T115 | Q111-P113 VanDerWaalsContact O-N 3.07Å; P113-T115 PolarHBondContact O-N 2.82Å |
| 114 | K | 33.5 | Very low | 33.6 | Very low | 186 Ų | 186 | 154.2 Ų | 154.2 | 81% | 0.809 | 77% | 0.771 | S | S | * | * | | | trans | -47 | 117 | 176.7 | -72.8 | 180 | 178.7 | 175.3 | 0 | 107 | T112 K116 | T112-K114 PolarHBondContact O-N 3.47Å; K114-K116 PolarHBondContact O-N 2.79Å |
| 115 | T | 35 | Very low | 34.2 | Very low | 136 Ų | 136 | 147 Ų | 147 | 83% | 0.834 | 75% | 0.749 | S | S | * | * | | | trans | -54.5 | 104.8 | -175.6 | 37.4 | 0 | 0 | 0 | 0 | 108.1 | P113 K117 | P113-T115 PolarHBondContact O-N 2.82Å; T115-K117 PolarHBondContact O-N 3.22Å |
| 116 | K | 37.7 | Very low | 34.6 | Very low | 189 Ų | 189 | 144.7 Ų | 144.7 | 82% | 0.822 | 75% | 0.745 | S | S | * | * | | | trans | -56.1 | 115.7 | 172.2 | -79.6 | -175.6 | 176.7 | 178.6 | 0 | 105 | K114 F118 | K114-K116 PolarHBondContact O-N 2.79Å; K116-F118 PolarHBondContact O-N 3.09Å |
| 117 | K | 37.4 | Very low | 35.1 | Very low | 195 Ų | 195 | 150.1 Ų | 150.1 | 85% | 0.848 | 76% | 0.755 | S | S | * | * | | | trans | -50.9 | 117.9 | 170.5 | -72.4 | -178.6 | 176.2 | 179.4 | 0 | 105.4 | T115 D119 | T115-K117 PolarHBondContact O-N 3.22Å; K117-D119 PolarHBondContact O-N 3.26Å |
| 118 | F | 37.8 | Very low | 35.8 | Very low | 209 Ų | 209 | 153.8 Ų | 153.8 | 92% | 0.917 | 76% | 0.762 | S | S | * | * | | | trans | -58.8 | 115.3 | 174.5 | -82.5 | -91.6 | 0 | 0 | 0 | 106.5 | K116 G120 | K116-F118 PolarHBondContact O-N 3.09Å; F118-G120 VanDerWaalsContact C-N 3.32Å; F118-G120 PolarHBondContact O-N 3.36Å |
| 119 | D | 37.9 | Very low | 36.3 | Very low | 153 Ų | 153 | 150.4 Ų | 150.4 | 82% | 0.818 | 75% | 0.747 | S | S | * | * | | | trans | -60.1 | 102.4 | 169.1 | -74.8 | -42.2 | 0 | 0 | 0 | 106.5 | K117 V121 | K117-D119 PolarHBondContact O-N 3.26Å; D119-V121 PolarHBondContact O-N 2.96Å |
| 120 | G | 32.2 | Very low | 37.1 | Very low | 49 Ų | 49 | 151 Ų | 151 | 51% | 0.505 | 75% | 0.745 | S | S | . | * | | | trans | -59.1 | 114.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | F118 Y122 | F118-G120 VanDerWaalsContact C-N 3.32Å; F118-G120 PolarHBondContact O-N 3.36Å; G120-Y122 WeakPolarHBondContact O-CD2 3.47Å; G120-Y122 PolarHBondContact O-N 3.26Å |
| 121 | V | 39.8 | Very low | 38.2 | Very low | 129 Ų | 129 | 148.2 Ų | 148.2 | 78% | 0.782 | 74% | 0.744 | S | S | * | * | | | trans | -70.9 | 85.1 | 177.7 | -177.1 | 0 | 0 | 0 | 0 | 108.3 | D119 L123 | D119-V121 PolarHBondContact O-N 2.96Å; V121-L123 VanDerWaalsContact C-N 3.33Å; V121-L123 HydrophobicContact CG1-CD2 4.29Å; V121-L123 HydrophobicContact CG1-CG 4.4Å; V121-L123 PolarHBondContact O-N 2.92Å |
| 122 | Y | 36.7 | Very low | 39.1 | Very low | 221 Ų | 221 | 142.4 Ų | 142.4 | 87% | 0.867 | 73% | 0.732 | S | S | * | * | | | trans | -70.2 | 88.9 | 176 | -77.2 | -80.2 | 0 | 0 | 0 | 109.7 | G120 S124 | G120-Y122 WeakPolarHBondContact O-CD2 3.47Å; G120-Y122 PolarHBondContact O-N 3.26Å; Y122-S124 PolarHBondContact O-N 3.35Å |
| 123 | L | 40.4 | Very low | 39.9 | Very low | 113 Ų | 113 | 141 Ų | 141 | 59% | 0.592 | 72% | 0.719 | S | S | * | * | | | trans | -64.2 | 94.2 | 169.4 | -67.5 | 173.3 | 0 | 0 | 0 | 109.5 | V121 V125 I137 | V121-L123 VanDerWaalsContact C-N 3.33Å; V121-L123 HydrophobicContact CG1-CD2 4.29Å; V121-L123 HydrophobicContact CG1-CG 4.4Å; V121-L123 PolarHBondContact O-N 2.92Å; L123-V125 PolarHBondContact O-N 3.37Å; L123-I137 HydrophobicContact CD1-CG2 3.85Å |
| 124 | S | 43.6 | Very low | 40.6 | Very low | 116 Ų | 116 | 137.3 Ų | 137.3 | 81% | 0.811 | 70% | 0.696 | S | S | * | * | | | trans | -69.5 | 101.1 | 176.6 | 60.8 | 0 | 0 | 0 | 0 | 110.2 | Y122 N126 | Y122-S124 PolarHBondContact O-N 3.35Å; S124-N126 PolarHBondContact O-N 3.31Å; S124-N126 VanDerWaalsContact O-N 3.13Å |
| 125 | V | 39.6 | Very low | 41.4 | Very low | 59 Ų | 59 | 131.1 Ų | 131.1 | 36% | 0.358 | 68% | 0.68 | S | S | . | * | | | trans | -73 | 106 | 176.2 | -175.2 | 0 | 0 | 0 | 0 | 109.2 | L123 R127 T129 I137 | L123-V125 PolarHBondContact O-N 3.37Å; V125-R127 PolarHBondContact O-N 3.3Å; V125-T129 WeakPolarHBondContact CG1-OG1 3.22Å; V125-I137 HydrophobicContact CG2-CD1 4.25Å |
| 126 | N | 37.2 | Very low | 42.1 | Very low | 127 Ų | 127 | 127.6 Ų | 127.6 | 68% | 0.679 | 66% | 0.664 | S | S | * | * | | | trans | -64.4 | 119.5 | 176.8 | -156.3 | -17.5 | 0 | 0 | 0 | 108.6 | S124 R128 T129 | S124-N126 PolarHBondContact O-N 3.31Å; S124-N126 VanDerWaalsContact O-N 3.13Å; N126-R128 PolarHBondContact O-N 3.23Å; N126-T129 PolarHBondContact O-N 3.35Å; N126-T129 PolarHBondContact O-OG1 3.43Å; N126-T129 VanDerWaalsContact O-OG1 3.11Å |
| 127 | R | 39.6 | Very low | 42.6 | Very low | 251 Ų | 251 | 121.1 Ų | 121.1 | 95% | 0.947 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.6 | 4.9 | -166.5 | -61.3 | -173.2 | -172.7 | -179.7 | 3.3 | 116.1 | V125 | V125-R127 PolarHBondContact O-N 3.3Š|
| 128 | R | 46.4 | Very low | 43.2 | Very low | 240 Ų | 240 | 120.1 Ų | 120.1 | 91% | 0.906 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.4 | -8.6 | 173 | -97.4 | 179.4 | 165.3 | 170.3 | -4.1 | 114.6 | N126 | N126-R128 PolarHBondContact O-N 3.23Š|
| 129 | T | 41.6 | Very low | 43.9 | Very low | 59 Ų | 59 | 115.3 Ų | 115.3 | 36% | 0.362 | 61% | 0.612 | S | S | . | * | S | Bend | trans | -67.5 | 136.6 | 175 | 48.2 | 0 | 0 | 0 | 0 | 111.2 | V125 N126 I133 | V125-T129 WeakPolarHBondContact CG1-OG1 3.22Å; N126-T129 PolarHBondContact O-N 3.35Å; N126-T129 PolarHBondContact O-OG1 3.43Å; N126-T129 VanDerWaalsContact O-OG1 3.11Å; T129-I133 HydrophobicContact CG2-CD1 4.47Å |
| 130 | Q | 44 | Very low | 44.4 | Very low | 152 Ų | 152 | 113.2 Ų | 113.2 | 71% | 0.71 | 60% | 0.6 | S | S | * | * | | | trans | -57.3 | 149.6 | 179.7 | -68.7 | 177.7 | -15.3 | 0 | 0 | 112.1 | G132 I133 | Q130-G132 PolarHBondContact O-N 3.16Å; Q130-I133 PolarHBondContact O-N 3.11Å; Q130-I133 VanDerWaalsContact O-N 3.12Å |
| 131 | P | 50.6 | Low | 45.3 | Very low | 118 Ų | 118 | 114.2 Ų | 114.2 | 77% | 0.766 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -52 | -34.1 | -171.3 | -30.2 | 35.9 | 0 | 0 | 0 | 115.7 | I133 S134 A135 | P131-I133 PolarHBondContact O-N 3.21Å; P131-S134 PolarHBondContact O-N 3.11Å; P131-A135 PolarHBondContact O-N 2.99Å |
| 132 | G | 47.2 | Very low | 45.7 | Very low | 54 Ų | 54 | 114.2 Ų | 114.2 | 56% | 0.557 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -61.5 | -36.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q130 S134 A135 A136 | Q130-G132 PolarHBondContact O-N 3.16Å; G132-S134 VanDerWaalsContact C-N 3.35Å; G132-S134 PolarHBondContact O-N 3.27Å; G132-A135 PolarHBondContact O-N 3.03Å; G132-A136 PolarHBondContact O-N 3.35Å; G132-A136 VanDerWaalsContact O-N 3.16Å |
| 133 | I | 45.8 | Very low | 45.9 | Very low | 86 Ų | 86 | 109.8 Ų | 109.8 | 44% | 0.441 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -68 | -37.9 | -178.1 | -60.4 | 173.1 | 0 | 0 | 0 | 110.5 | T129 Q130 P131 A135 A136 I137 | T129-I133 HydrophobicContact CG2-CD1 4.47Å; Q130-I133 PolarHBondContact O-N 3.11Å; Q130-I133 VanDerWaalsContact O-N 3.12Å; P131-I133 PolarHBondContact O-N 3.21Å; I133-A135 VanDerWaalsContact C-N 3.27Å; I133-A135 PolarHBondContact O-N 3.06Å; I133-A136 PolarHBondContact O-N 3.31Å; I133-I137 HydrophobicContact CG2-CD1 3.93Å; I133-I137 HydrophobicContact CG2-CG1 4.48Å; I133-I137 WeakPolarHBondContact O-CG1 3.29Å; I133-I137 PolarHBondContact O-N 3.45Å; I133-I137 VanDerWaalsContact O-N 3.08Å |
| 134 | S | 49.6 | Very low | 45.9 | Very low | 41 Ų | 41 | 110.7 Ų | 110.7 | 29% | 0.287 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -68.3 | -25.7 | 177.7 | -170.7 | 0 | 0 | 0 | 0 | 113 | P131 G132 R138 | P131-S134 PolarHBondContact O-N 3.11Å; G132-S134 VanDerWaalsContact C-N 3.35Å; G132-S134 PolarHBondContact O-N 3.27Å; S134-R138 WeakPolarHBondContact O-CG 3.42Å; S134-R138 PolarHBondContact O-N 2.87Å |
| 135 | A | 48.6 | Very low | 45.6 | Very low | 56 Ų | 56 | 112.8 Ų | 112.8 | 46% | 0.463 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -74.4 | -45.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | P131 G132 I133 I137 R138 L139 | P131-A135 PolarHBondContact O-N 2.99Å; G132-A135 PolarHBondContact O-N 3.03Å; I133-A135 VanDerWaalsContact C-N 3.27Å; I133-A135 PolarHBondContact O-N 3.06Å; A135-I137 PolarHBondContact O-N 2.84Å; A135-R138 PolarHBondContact O-N 2.77Å; A135-L139 PolarHBondContact O-N 2.98Å |
| 136 | A | 50.1 | Low | 45.5 | Very low | 62 Ų | 62 | 115.2 Ų | 115.2 | 51% | 0.512 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -60.1 | -44 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | G132 I133 R138 L139 L140 | G132-A136 PolarHBondContact O-N 3.35Å; G132-A136 VanDerWaalsContact O-N 3.16Å; I133-A136 PolarHBondContact O-N 3.31Å; A136-R138 VanDerWaalsContact C-N 3.33Å; A136-R138 PolarHBondContact O-N 2.94Å; A136-L139 PolarHBondContact O-N 3.04Å; A136-L140 PolarHBondContact O-N 3.19Å |
| 137 | I | 49.6 | Very low | 45.5 | Very low | 53 Ų | 53 | 119.2 Ų | 119.2 | 27% | 0.272 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -63.6 | -38.8 | 176.8 | -65.7 | 169.5 | 0 | 0 | 0 | 111.2 | L123 V125 I133 A135 L140 S141 | L123-I137 HydrophobicContact CD1-CG2 3.85Å; V125-I137 HydrophobicContact CG2-CD1 4.25Å; I133-I137 HydrophobicContact CG2-CD1 3.93Å; I133-I137 HydrophobicContact CG2-CG1 4.48Å; I133-I137 WeakPolarHBondContact O-CG1 3.29Å; I133-I137 PolarHBondContact O-N 3.45Å; I133-I137 VanDerWaalsContact O-N 3.08Å; A135-I137 PolarHBondContact O-N 2.84Å; I137-L140 PolarHBondContact O-N 2.85Å; I137-S141 WeakPolarHBondContact O-CB 3.37Å; I137-S141 PolarHBondContact O-N 2.89Å; I137-S141 PolarHBondContact O-OG 3.02Å |
| 138 | R | 48.1 | Very low | 45.2 | Very low | 174 Ų | 174 | 113 Ų | 113 | 66% | 0.657 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -62.3 | -45.8 | 174.4 | -82.1 | -178.6 | 174.9 | 178.3 | -1 | 111.7 | S134 A135 A136 L140 S141 Q142 | S134-R138 WeakPolarHBondContact O-CG 3.42Å; S134-R138 PolarHBondContact O-N 2.87Å; A135-R138 PolarHBondContact O-N 2.77Å; A136-R138 VanDerWaalsContact C-N 3.33Å; A136-R138 PolarHBondContact O-N 2.94Å; R138-L140 VanDerWaalsContact C-N 3.34Å; R138-L140 PolarHBondContact O-N 3.18Å; R138-S141 PolarHBondContact O-N 3.2Å; R138-S141 PolarHBondContact O-OG 2.85Å; R138-Q142 WeakPolarHBondContact O-CG 3.38Å; R138-Q142 PolarHBondContact O-N 2.93Å; R138-Q142 VanDerWaalsContact O-N 3.1Å |
| 139 | L | 52.9 | Low | 44.3 | Very low | 108 Ų | 108 | 105.6 Ų | 105.6 | 57% | 0.565 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -57.3 | -47.3 | 174.6 | -120.9 | 81.4 | 0 | 0 | 0 | 111.5 | A135 A136 S141 Q142 N143 | A135-L139 PolarHBondContact O-N 2.98Å; A136-L139 PolarHBondContact O-N 3.04Å; L139-S141 VanDerWaalsContact C-N 3.33Å; L139-S141 PolarHBondContact O-N 2.85Å; L139-Q142 PolarHBondContact O-N 3.24Å; L139-Q142 VanDerWaalsContact O-N 3.13Å; L139-N143 PolarHBondContact O-N 3.32Å |
| 140 | L | 49.4 | Very low | 44.1 | Very low | 109 Ų | 109 | 108 Ų | 108 | 57% | 0.571 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -60.9 | -42.6 | 179.5 | -142.5 | 81.8 | 0 | 0 | 0 | 111.6 | A136 I137 R138 Q142 N143 L144 | A136-L140 PolarHBondContact O-N 3.19Å; I137-L140 PolarHBondContact O-N 2.85Å; R138-L140 VanDerWaalsContact C-N 3.34Å; R138-L140 PolarHBondContact O-N 3.18Å; L140-Q142 VanDerWaalsContact C-N 3.27Å; L140-Q142 PolarHBondContact O-N 3.13Å; L140-N143 PolarHBondContact O-N 3.44Å; L140-L144 WeakPolarHBondContact O-CB 3.3Å; L140-L144 WeakPolarHBondContact O-CG 3.27Å; L140-L144 PolarHBondContact O-N 3.3Å |
| 141 | S | 50.7 | Low | 43.4 | Very low | 70 Ų | 70 | 107.2 Ų | 107.2 | 49% | 0.49 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -67.1 | -24 | 177.5 | 71.1 | 0 | 0 | 0 | 0 | 114.1 | I137 R138 L139 | I137-S141 WeakPolarHBondContact O-CB 3.37Å; I137-S141 PolarHBondContact O-N 2.89Å; I137-S141 PolarHBondContact O-OG 3.02Å; R138-S141 PolarHBondContact O-N 3.2Å; R138-S141 PolarHBondContact O-OG 2.85Å; L139-S141 VanDerWaalsContact C-N 3.33Å; L139-S141 PolarHBondContact O-N 2.85Å |
| 142 | Q | 48.3 | Very low | 42.3 | Very low | 129 Ų | 129 | 108.5 Ų | 108.5 | 60% | 0.603 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -77.2 | -40.3 | 172.2 | -71.9 | 177.6 | -12.3 | 0 | 0 | 111.2 | R138 L139 L140 L144 K145 | R138-Q142 WeakPolarHBondContact O-CG 3.38Å; R138-Q142 PolarHBondContact O-N 2.93Å; R138-Q142 VanDerWaalsContact O-N 3.1Å; L139-Q142 PolarHBondContact O-N 3.24Å; L139-Q142 VanDerWaalsContact O-N 3.13Å; L140-Q142 VanDerWaalsContact C-N 3.27Å; L140-Q142 PolarHBondContact O-N 3.13Å; Q142-L144 VanDerWaalsContact C-N 3.32Å; Q142-L144 PolarHBondContact O-N 2.92Å; Q142-K145 PolarHBondContact O-N 3.3Å |
| 143 | N | 41.3 | Very low | 41.6 | Very low | 128 Ų | 128 | 114.3 Ų | 114.3 | 68% | 0.684 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -72.8 | -21.6 | 178.3 | -67.9 | -14 | 0 | 0 | 0 | 113.6 | L139 L140 K145 | L139-N143 PolarHBondContact O-N 3.32Å; L140-N143 PolarHBondContact O-N 3.44Å; N143-K145 VanDerWaalsContact C-N 3.29Å |
| 144 | L | 40.4 | Very low | 41 | Very low | 132 Ų | 132 | 115.5 Ų | 115.5 | 69% | 0.691 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | 2.8 | 174.7 | -73.9 | 170.4 | 0 | 0 | 0 | 114.1 | L140 Q142 P146 | L140-L144 WeakPolarHBondContact O-CB 3.3Å; L140-L144 WeakPolarHBondContact O-CG 3.27Å; L140-L144 PolarHBondContact O-N 3.3Å; Q142-L144 VanDerWaalsContact C-N 3.32Å; Q142-L144 PolarHBondContact O-N 2.92Å; L144-P146 WeakPolarHBondContact O-CD 3.38Å |
| 145 | K | 35.8 | Very low | 40 | Very low | 160 Ų | 160 | 120.1 Ų | 120.1 | 70% | 0.696 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -64.1 | 126.4 | 164 | -75.8 | -171.8 | 173.7 | -173.9 | 0 | 108.5 | Q142 N143 K147 | Q142-K145 PolarHBondContact O-N 3.3Å; N143-K145 VanDerWaalsContact C-N 3.29Å; K145-K147 PolarHBondContact O-N 2.85Å |
| 146 | P | 38.5 | Very low | 39.1 | Very low | 110 Ų | 110 | 124.2 Ų | 124.2 | 71% | 0.714 | 66% | 0.662 | S | S | * | * | | | trans | -53.5 | 128.8 | 172 | -24 | 33.5 | 0 | 0 | 0 | 109.4 | L144 T148 | L144-P146 WeakPolarHBondContact O-CD 3.38Å; P146-T148 PolarHBondContact O-N 3.11Å |
| 147 | K | 36.4 | Very low | 38.1 | Very low | 211 Ų | 211 | 128.2 Ų | 128.2 | 92% | 0.917 | 68% | 0.675 | S | S | * | * | | | trans | -66.3 | 86.4 | 163.4 | -82.1 | -174.9 | 175.2 | 179.7 | 0 | 107.3 | K145 S149 | K145-K147 PolarHBondContact O-N 2.85Å; K147-S149 PolarHBondContact O-N 3.35Å |
| 148 | T | 33.8 | Very low | 37.2 | Very low | 121 Ų | 121 | 131 Ų | 131 | 74% | 0.742 | 70% | 0.699 | S | S | * | * | | | trans | -65.8 | 87.8 | 161.3 | 48.5 | 0 | 0 | 0 | 0 | 107 | P146 P150 | P146-T148 PolarHBondContact O-N 3.11Å; T148-P150 VanDerWaalsContact O-CD 3.26Å; T148-P150 WeakPolarHBondContact O-CD 3.12Å |
| 149 | S | 28.7 | Very low | 36.3 | Very low | 84 Ų | 84 | 129.2 Ų | 129.2 | 59% | 0.587 | 70% | 0.703 | S | S | * | * | | | trans | -57.8 | 118.5 | 164.3 | -179.3 | 0 | 0 | 0 | 0 | 107.3 | K147 N151 | K147-S149 PolarHBondContact O-N 3.35Å; S149-N151 PolarHBondContact O-N 2.83Å |
| 150 | P | 35.6 | Very low | 35 | Very low | 110 Ų | 110 | 127.2 Ų | 127.2 | 71% | 0.714 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.7 | -4.2 | -177.6 | -18.3 | 33.4 | 0 | 0 | 0 | 113.9 | T148 | T148-P150 VanDerWaalsContact O-CD 3.26Å; T148-P150 WeakPolarHBondContact O-CD 3.12Å |
| 151 | N | 30.5 | Very low | 33.9 | Very low | 136 Ų | 136 | 128.6 Ų | 128.6 | 73% | 0.727 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.3 | 11.6 | -162.9 | -67 | 19.4 | 0 | 0 | 0 | 114.9 | S149 | S149-N151 PolarHBondContact O-N 2.83Š|
| 152 | N | 28.1 | Very low | 32.8 | Very low | 144 Ų | 144 | 130 Ų | 130 | 77% | 0.77 | 73% | 0.726 | S | S | * | * | | | trans | -108.4 | 57.2 | 161.4 | -78.4 | 36.9 | 0 | 0 | 0 | 109.3 | V154 | N152-V154 VanDerWaalsContact C-N 3.28Å; N152-V154 PolarHBondContact O-N 3.36Å; N152-V154 VanDerWaalsContact O-N 3.12Å |
| 153 | E | 30.8 | Very low | 31.8 | Very low | 176 Ų | 176 | 128.8 Ų | 128.8 | 82% | 0.822 | 73% | 0.727 | S | S | * | * | | | trans | -61.1 | 107.9 | 140.8 | -100.1 | 178.6 | 169.5 | 0 | 0 | 105.4 | N155 | E153-N155 PolarHBondContact O-N 2.77Å; E153-N155 VanDerWaalsContact O-N 3.16Å |
| 154 | V | 33.6 | Very low | 31.1 | Very low | 112 Ų | 112 | 127.9 Ų | 127.9 | 68% | 0.679 | 73% | 0.726 | S | S | * | * | | | trans | -58.4 | 118.8 | 169.4 | 174.8 | 0 | 0 | 0 | 0 | 105.2 | N152 D156 | N152-V154 VanDerWaalsContact C-N 3.28Å; N152-V154 PolarHBondContact O-N 3.36Å; N152-V154 VanDerWaalsContact O-N 3.12Å; V154-D156 VanDerWaalsContact C-N 3.25Å; V154-D156 PolarHBondContact O-N 2.81Å |
| 155 | N | 28.5 | Very low | 30.4 | Very low | 137 Ų | 137 | 126.9 Ų | 126.9 | 73% | 0.733 | 73% | 0.729 | S | S | * | * | | | trans | -60.5 | 101.3 | 161.7 | -79.6 | -12 | 0 | 0 | 0 | 105.9 | E153 D157 | E153-N155 PolarHBondContact O-N 2.77Å; E153-N155 VanDerWaalsContact O-N 3.16Å; N155-D157 PolarHBondContact O-N 2.77Å |
| 156 | D | 29.6 | Very low | 30 | Very low | 142 Ų | 142 | 127.2 Ų | 127.2 | 76% | 0.759 | 73% | 0.733 | S | S | * | * | | | trans | -63.7 | 86 | 158 | -86.4 | -31.3 | 0 | 0 | 0 | 106.1 | V154 S158 | V154-D156 VanDerWaalsContact C-N 3.25Å; V154-D156 PolarHBondContact O-N 2.81Å; D156-S158 PolarHBondContact O-N 3.39Å; D156-S158 PolarHBondContact O-OG 3.4Å |
| 157 | D | 30.2 | Very low | 29.4 | Very low | 147 Ų | 147 | 129.1 Ų | 129.1 | 79% | 0.786 | 74% | 0.736 | S | S | * | * | | | trans | -62.3 | 82.6 | 159.3 | -81.1 | -25.8 | 0 | 0 | 0 | 106.5 | N155 N159 | N155-D157 PolarHBondContact O-N 2.77Å; D157-N159 PolarHBondContact O-N 2.97Å |
| 158 | S | 29.9 | Very low | 28.9 | Very low | 110 Ų | 110 | 124.8 Ų | 124.8 | 77% | 0.769 | 73% | 0.727 | S | S | * | * | | | trans | -71.8 | 59.7 | 180 | 45.8 | 0 | 0 | 0 | 0 | 110.2 | D156 G160 | D156-S158 PolarHBondContact O-N 3.39Å; D156-S158 PolarHBondContact O-OG 3.4Å; S158-G160 PolarHBondContact O-N 2.74Å |
| 159 | N | 29.3 | Very low | 28.6 | Very low | 138 Ų | 138 | 124.5 Ų | 124.5 | 74% | 0.738 | 73% | 0.725 | S | S | * | * | | | trans | -68.8 | 83.6 | 161.4 | -169.5 | 9.5 | 0 | 0 | 0 | 107.7 | D157 N161 | D157-N159 PolarHBondContact O-N 2.97Å; N159-N161 PolarHBondContact O-N 2.81Å |
| 160 | G | 26.5 | Very low | 28.4 | Very low | 66 Ų | 66 | 125.3 Ų | 125.3 | 68% | 0.68 | 73% | 0.731 | S | S | * | * | | | trans | -70 | 70.7 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | S158 S162 | S158-G160 PolarHBondContact O-N 2.74Å; G160-S162 PolarHBondContact O-N 2.91Å |
| 161 | N | 25.8 | Very low | 27.9 | Very low | 138 Ų | 138 | 126.8 Ų | 126.8 | 74% | 0.738 | 73% | 0.733 | S | S | * | * | | | trans | -70.4 | 78.8 | 161.9 | -93.1 | -8.2 | 0 | 0 | 0 | 109.4 | N159 V163 | N159-N161 PolarHBondContact O-N 2.81Å; N161-V163 VanDerWaalsContact C-N 3.27Å; N161-V163 PolarHBondContact O-N 3.07Å |
| 162 | S | 26.7 | Very low | 27.7 | Very low | 99 Ų | 99 | 127.5 Ų | 127.5 | 69% | 0.692 | 74% | 0.735 | S | S | * | * | | | trans | -61.9 | 88.7 | 163.8 | 167.5 | 0 | 0 | 0 | 0 | 109 | G160 T164 | G160-S162 PolarHBondContact O-N 2.91Å; S162-T164 PolarHBondContact O-N 2.92Å |
| 163 | V | 26.9 | Very low | 27.5 | Very low | 104 Ų | 104 | 127.9 Ų | 127.9 | 63% | 0.63 | 74% | 0.737 | S | S | * | * | | | trans | -71.8 | 85.5 | 169.9 | -176.4 | 0 | 0 | 0 | 0 | 108.4 | N161 C165 | N161-V163 VanDerWaalsContact C-N 3.27Å; N161-V163 PolarHBondContact O-N 3.07Å; V163-C165 PolarHBondContact O-N 3.08Å; V163-C165 VanDerWaalsContact O-N 3.13Å |
| 164 | T | 28.1 | Very low | 27.3 | Very low | 108 Ų | 108 | 125.5 Ų | 125.5 | 66% | 0.663 | 74% | 0.735 | S | S | * | * | | | trans | -57.3 | 113.3 | 163.9 | 40.2 | 0 | 0 | 0 | 0 | 108.5 | S162 E166 | S162-T164 PolarHBondContact O-N 2.92Å; T164-E166 PolarHBondContact O-N 2.91Å |
| 165 | C | 25.1 | Very low | 26.9 | Very low | 112 Ų | 112 | 127.7 Ų | 127.7 | 76% | 0.757 | 74% | 0.742 | S | S | * | * | | | trans | -76 | 92 | 170.1 | -64.7 | 0 | 0 | 0 | 0 | 107.9 | V163 I167 | V163-C165 PolarHBondContact O-N 3.08Å; V163-C165 VanDerWaalsContact O-N 3.13Å; C165-I167 PolarHBondContact O-N 2.85Å; C165-I167 VanDerWaalsContact O-N 3.11Å |
| 166 | E | 27.4 | Very low | 26.8 | Very low | 166 Ų | 166 | 130.3 Ų | 130.3 | 78% | 0.776 | 75% | 0.75 | S | S | * | * | | | trans | -62.4 | 111.7 | 166 | -74.7 | -170.8 | 141.9 | 0 | 0 | 108.7 | T164 V168 | T164-E166 PolarHBondContact O-N 2.91Å; E166-V168 VanDerWaalsContact C-N 3.28Å; E166-V168 HydrophobicContact CB-CG2 4.41Å; E166-V168 PolarHBondContact O-N 3.37Å |
| 167 | I | 25.8 | Very low | 26.5 | Very low | 151 Ų | 151 | 130.6 Ų | 130.6 | 77% | 0.774 | 75% | 0.752 | S | S | * | * | | | trans | -76.1 | 89.9 | 169.4 | -59.6 | 174.7 | 0 | 0 | 0 | 106.1 | C165 T169 | C165-I167 PolarHBondContact O-N 2.85Å; C165-I167 VanDerWaalsContact O-N 3.11Å; I167-T169 VanDerWaalsContact C-N 3.3Å; I167-T169 PolarHBondContact O-N 3.23Å |
| 168 | V | 26.9 | Very low | 26.4 | Very low | 120 Ų | 120 | 130.8 Ų | 130.8 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | | | trans | -70.9 | 89.4 | 174.1 | -177.7 | 0 | 0 | 0 | 0 | 108.4 | E166 S170 | E166-V168 VanDerWaalsContact C-N 3.28Å; E166-V168 HydrophobicContact CB-CG2 4.41Å; E166-V168 PolarHBondContact O-N 3.37Å; V168-S170 PolarHBondContact O-N 3Å; V168-S170 VanDerWaalsContact O-N 3.08Å |
| 169 | T | 26.2 | Very low | 26.2 | Very low | 114 Ų | 114 | 133.9 Ų | 133.9 | 70% | 0.699 | 76% | 0.755 | S | S | * | * | | | trans | -66.7 | 102.3 | 164 | 37 | 0 | 0 | 0 | 0 | 108.9 | I167 N171 | I167-T169 VanDerWaalsContact C-N 3.3Å; I167-T169 PolarHBondContact O-N 3.23Å; T169-N171 PolarHBondContact O-N 2.83Å |
| 170 | S | 24 | Very low | 26.2 | Very low | 101 Ų | 101 | 135.1 Ų | 135.1 | 71% | 0.706 | 76% | 0.761 | S | S | * | * | | | trans | -68.9 | 89.3 | 173.4 | 56.2 | 0 | 0 | 0 | 0 | 110.6 | V168 I172 | V168-S170 PolarHBondContact O-N 3Å; V168-S170 VanDerWaalsContact O-N 3.08Å; S170-I172 PolarHBondContact O-N 2.96Å |
| 171 | N | 25.6 | Very low | 26.1 | Very low | 142 Ų | 142 | 141 Ų | 141 | 76% | 0.759 | 77% | 0.768 | S | S | * | * | | | trans | -67.6 | 118.1 | 165 | -91 | -6.5 | 0 | 0 | 0 | 108.9 | T169 N173 | T169-N171 PolarHBondContact O-N 2.83Å; N171-N173 PolarHBondContact O-N 2.98Å |
| 172 | I | 25.8 | Very low | 26 | Very low | 150 Ų | 150 | 141.8 Ų | 141.8 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | | | trans | -73.2 | 106.4 | 177.4 | -62.1 | 171.3 | 0 | 0 | 0 | 107.5 | S170 T174 | S170-I172 PolarHBondContact O-N 2.96Å; I172-T174 PolarHBondContact O-N 3.36Å |
| 173 | N | 25.2 | Very low | 26 | Very low | 152 Ų | 152 | 142.8 Ų | 142.8 | 81% | 0.813 | 77% | 0.773 | S | S | * | * | | | trans | -74.1 | 92.5 | 175.6 | -72.7 | -24.3 | 0 | 0 | 0 | 110.1 | N171 | N171-N173 PolarHBondContact O-N 2.98Š|
| 174 | T | 26.3 | Very low | 25.9 | Very low | 127 Ų | 127 | 144.4 Ų | 144.4 | 78% | 0.779 | 78% | 0.783 | S | S | * | * | | | trans | -77.6 | 122.7 | 161.5 | 42.9 | 0 | 0 | 0 | 0 | 110.2 | I172 E176 | I172-T174 PolarHBondContact O-N 3.36Å; T174-E176 PolarHBondContact O-N 3.04Å |
| 175 | N | 24.1 | Very low | 25.7 | Very low | 157 Ų | 157 | 146.3 Ų | 146.3 | 84% | 0.84 | 79% | 0.789 | S | S | * | * | | | trans | -59.2 | 121.5 | 175.4 | -72.6 | -37.3 | 0 | 0 | 0 | 111.8 | | |
| 176 | E | 28 | Very low | 25.8 | Very low | 193 Ų | 193 | 147.8 Ų | 147.8 | 90% | 0.902 | 79% | 0.79 | S | S | * | * | | | trans | -128.5 | 106.9 | 149.9 | -75 | -162.5 | 146.8 | 0 | 0 | 110 | T174 | T174-E176 PolarHBondContact O-N 3.04Š|
| 177 | N | 22.6 | Very low | 25.8 | Very low | 147 Ų | 147 | 148.1 Ų | 148.1 | 79% | 0.786 | 79% | 0.789 | S | S | * | * | | | trans | -66.5 | 133.6 | 160.5 | -74 | -46.2 | 0 | 0 | 0 | 108.2 | | |
| 178 | N | 28.3 | Very low | 25.7 | Very low | 151 Ų | 151 | 148.6 Ų | 148.6 | 81% | 0.807 | 79% | 0.793 | S | S | * | * | | | | -173.5 | 139.6 | 116.7 | -94.5 | -42.4 | 0 | 0 | 0 | 113.3 | | |
| 179 | H | 25.1 | Very low | 25.7 | Very low | 175 Ų | 175 | 147.9 Ų | 147.9 | 81% | 0.81 | 79% | 0.785 | S | S | * | * | | | trans | -40.1 | 131.1 | 176.9 | -56.7 | -87.5 | 0 | 0 | 0 | 115.3 | | |
| 180 | N | 29 | Very low | 25.7 | Very low | 164 Ų | 164 | 152 Ų | 152 | 88% | 0.877 | 79% | 0.793 | S | S | * | * | | | trans | -144.3 | 132.4 | 143.2 | -111.8 | -36.2 | 0 | 0 | 0 | 114.2 | | |
| 181 | K | 26.1 | Very low | 25.7 | Very low | 190 Ų | 190 | 154.9 Ų | 154.9 | 83% | 0.826 | 80% | 0.8 | S | S | * | * | | | trans | -23.2 | 126.2 | 179.7 | -86.5 | 167.1 | 167.3 | 173.1 | 0 | 119.3 | | |
| 182 | I | 23.9 | Very low | 25.6 | Very low | 155 Ų | 155 | 153 Ų | 153 | 80% | 0.795 | 80% | 0.797 | S | S | * | * | | | trans | -20.9 | 128.5 | 135.3 | -59.4 | 156.4 | 0 | 0 | 0 | 113.4 | | |
| 183 | T | 24.9 | Very low | 25.5 | Very low | 120 Ų | 120 | 153.6 Ų | 153.6 | 74% | 0.736 | 80% | 0.8 | S | S | * | * | | | | -174.6 | 159.2 | 123.4 | 23.9 | 0 | 0 | 0 | 0 | 112.4 | | |
| 184 | T | 26.4 | Very low | 25.5 | Very low | 137 Ų | 137 | 152.5 Ų | 152.5 | 84% | 0.84 | 80% | 0.8 | S | S | * | * | | | trans | 64.4 | 102 | 170.5 | 48.3 | 0 | 0 | 0 | 0 | 118 | | |
| 185 | N | 23.7 | Very low | 25.4 | Very low | 148 Ų | 148 | 149.9 Ų | 149.9 | 79% | 0.791 | 79% | 0.786 | S | S | * | * | | | trans | -62.5 | -179.4 | 159.3 | -72.7 | -19.5 | 0 | 0 | 0 | 112.2 | | |
| 186 | D | 25.7 | Very low | 25.4 | Very low | 144 Ų | 144 | 148.9 Ų | 148.9 | 77% | 0.77 | 79% | 0.788 | S | S | * | * | | | trans | 75 | 49.1 | 163.5 | -51.3 | -23.6 | 0 | 0 | 0 | 115.9 | N188 | D186-N188 PolarHBondContact O-N 2.88Š|
| 187 | K | 27.5 | Very low | 25.3 | Very low | 173 Ų | 173 | 147.5 Ų | 147.5 | 75% | 0.752 | 78% | 0.782 | S | S | * | * | | | trans | -61 | 89.9 | 148 | -88.2 | -174.6 | 171.1 | -126.2 | 0 | 110.3 | D189 | K187-D189 HydrophobicContact CB-CB 4.17Å; K187-D189 HydrophobicContact CD-CB 4.41Å; K187-D189 VanDerWaalsContact CD-OD2 3.25Å; K187-D189 WeakPolarHBondContact CD-OD2 3.46Å; K187-D189 VanDerWaalsContact CE-OD2 3.26Å; K187-D189 WeakPolarHBondContact CE-OD2 3.23Å; K187-D189 HydrophobicContact CG-CB 4.42Å; K187-D189 IonicContact NZ-OD2 2.66Å; K187-D189 PolarHBondContact NZ-OD2 2.87Å; K187-D189 PolarHBondContact O-N 2.73Å |
| 188 | N | 24.6 | Very low | 25.3 | Very low | 161 Ų | 161 | 145.7 Ų | 145.7 | 86% | 0.861 | 78% | 0.781 | S | S | * | * | | | trans | -68.8 | 50.7 | 147 | -82.6 | -46 | 0 | 0 | 0 | 110.2 | D186 | D186-N188 PolarHBondContact O-N 2.88Š|
| 189 | D | 26.9 | Very low | 25.1 | Very low | 104 Ų | 104 | 142.6 Ų | 142.6 | 56% | 0.556 | 78% | 0.784 | S | S | * | * | | | trans | -83.9 | 117.4 | 171.9 | -93.1 | -20.7 | 0 | 0 | 0 | 109.2 | K187 L191 | K187-D189 HydrophobicContact CB-CB 4.17Å; K187-D189 HydrophobicContact CD-CB 4.41Å; K187-D189 VanDerWaalsContact CD-OD2 3.25Å; K187-D189 WeakPolarHBondContact CD-OD2 3.46Å; K187-D189 VanDerWaalsContact CE-OD2 3.26Å; K187-D189 WeakPolarHBondContact CE-OD2 3.23Å; K187-D189 HydrophobicContact CG-CB 4.42Å; K187-D189 IonicContact NZ-OD2 2.66Å; K187-D189 PolarHBondContact NZ-OD2 2.87Å; K187-D189 PolarHBondContact O-N 2.73Å; D189-L191 PolarHBondContact O-N 2.95Å |
| 190 | K | 25.3 | Very low | 25.1 | Very low | 201 Ų | 201 | 137.6 Ų | 137.6 | 87% | 0.874 | 78% | 0.78 | S | S | * | * | | | trans | -37.1 | 93.7 | 171 | -64.2 | 165 | 176.2 | 172.7 | 0 | 113.5 | | |
| 191 | L | 24.8 | Very low | 25 | Very low | 162 Ų | 162 | 135.5 Ų | 135.5 | 85% | 0.848 | 77% | 0.773 | S | S | * | * | | | trans | -121.3 | 74.2 | 149.3 | -93.3 | 160.9 | 0 | 0 | 0 | 107.8 | D189 I193 | D189-L191 PolarHBondContact O-N 2.95Å; L191-I193 PolarHBondContact O-N 2.8Å |
| 192 | S | 23.8 | Very low | 24.9 | Very low | 102 Ų | 102 | 133.5 Ų | 133.5 | 71% | 0.713 | 77% | 0.767 | S | S | * | * | | | trans | -58.4 | 109.6 | 166.8 | 48.6 | 0 | 0 | 0 | 0 | 108.6 | T194 | S192-T194 VanDerWaalsContact C-N 3.33Å; S192-T194 PolarHBondContact O-N 3.11Å |
| 193 | I | 24.1 | Very low | 25 | Very low | 162 Ų | 162 | 136.6 Ų | 136.6 | 83% | 0.831 | 77% | 0.77 | S | S | * | * | | | trans | -66.3 | 90.6 | 176.1 | -58.6 | 160.3 | 0 | 0 | 0 | 108.1 | L191 | L191-I193 PolarHBondContact O-N 2.8Š|
| 194 | T | 23.5 | Very low | 25.2 | Very low | 130 Ų | 130 | 138.8 Ų | 138.8 | 80% | 0.798 | 77% | 0.77 | S | S | * | * | | | trans | -94.2 | 98 | 152 | 40.2 | 0 | 0 | 0 | 0 | 107.6 | S192 | S192-T194 VanDerWaalsContact C-N 3.33Å; S192-T194 PolarHBondContact O-N 3.11Å |
| 195 | S | 24.2 | Very low | 25.1 | Very low | 71 Ų | 71 | 136.8 Ų | 136.8 | 50% | 0.497 | 76% | 0.761 | S | S | . | * | | | trans | -48.1 | 146.7 | 171.8 | 41.5 | 0 | 0 | 0 | 0 | 111.6 | Q197 | S195-Q197 PolarHBondContact O-N 2.77Š|
| 196 | P | 24.3 | Very low | 25.1 | Very low | 136 Ų | 136 | 141.7 Ų | 141.7 | 88% | 0.883 | 77% | 0.769 | S | S | * | * | | | trans | -74.6 | 67.2 | 171.8 | 32.7 | -35.1 | 0 | 0 | 0 | 110.2 | S198 | P196-S198 VanDerWaalsContact C-N 3.35Å; P196-S198 PolarHBondContact O-N 3.18Å |
| 197 | Q | 25.9 | Very low | 25.3 | Very low | 165 Ų | 165 | 143.6 Ų | 143.6 | 77% | 0.771 | 77% | 0.77 | S | S | * | * | | | trans | -73 | 94.5 | 165 | -95 | -175.9 | -19 | 0 | 0 | 109.4 | S195 | S195-Q197 PolarHBondContact O-N 2.77Š|
| 198 | S | 24.2 | Very low | 25.3 | Very low | 108 Ų | 108 | 142.4 Ų | 142.4 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | | | trans | 14.6 | 130.9 | 131.6 | 59.5 | 0 | 0 | 0 | 0 | 117.9 | P196 | P196-S198 VanDerWaalsContact C-N 3.35Å; P196-S198 PolarHBondContact O-N 3.18Å |
| 199 | G | 23.5 | Very low | 25.5 | Very low | 86 Ų | 86 | 143.8 Ų | 143.8 | 89% | 0.887 | 77% | 0.77 | S | S | * | * | | | trans | 104.6 | 43.6 | 154.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 200 | G | 25.2 | Very low | 25.5 | Very low | 70 Ų | 70 | 149.7 Ų | 149.7 | 72% | 0.722 | 79% | 0.785 | S | S | * | * | | | trans | -131.3 | 26.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | E202 | G200-E202 PolarHBondContact O-N 2.78Š|
| 201 | V | 25.8 | Very low | 25.5 | Very low | 120 Ų | 120 | 147.3 Ų | 147.3 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | | | trans | -72.8 | 85.6 | 172.5 | -178.5 | 0 | 0 | 0 | 0 | 108 | Y203 | V201-Y203 WeakPolarHBondContact O-CD2 3.29Å; V201-Y203 PolarHBondContact O-N 3.03Å |
| 202 | E | 25.3 | Very low | 25.5 | Very low | 148 Ų | 148 | 144.3 Ų | 144.3 | 69% | 0.692 | 77% | 0.769 | S | S | * | * | | | trans | -59.6 | 111.1 | 160.9 | -73.3 | -165.2 | 142 | 0 | 0 | 107.8 | G200 F204 | G200-E202 PolarHBondContact O-N 2.78Å; E202-F204 HydrophobicContact CB-CD2 4.09Å; E202-F204 HydrophobicContact CB-CE2 3.98Å; E202-F204 PolarHBondContact O-N 2.84Å; E202-F204 VanDerWaalsContact OE2-CE2 3.23Å; E202-F204 WeakPolarHBondContact OE2-CE2 3.38Å |
| 203 | Y | 26 | Very low | 25.5 | Very low | 221 Ų | 221 | 149.9 Ų | 149.9 | 87% | 0.867 | 78% | 0.776 | S | S | * | * | | | trans | -65.8 | 77.5 | 170.3 | -79.7 | -97.7 | 0 | 0 | 0 | 109.4 | V201 S205 | V201-Y203 WeakPolarHBondContact O-CD2 3.29Å; V201-Y203 PolarHBondContact O-N 3.03Å; Y203-S205 PolarHBondContact O-N 2.88Å |
| 204 | F | 28 | Very low | 25.7 | Very low | 166 Ų | 166 | 148.1 Ų | 148.1 | 73% | 0.728 | 77% | 0.773 | S | S | * | * | | | trans | -67.3 | 90 | 160.1 | -81.3 | -69.9 | 0 | 0 | 0 | 108.4 | E202 W206 | E202-F204 HydrophobicContact CB-CD2 4.09Å; E202-F204 HydrophobicContact CB-CE2 3.98Å; E202-F204 PolarHBondContact O-N 2.84Å; E202-F204 VanDerWaalsContact OE2-CE2 3.23Å; E202-F204 WeakPolarHBondContact OE2-CE2 3.38Å; F204-W206 PolarHBondContact O-N 3.06Å |
| 205 | S | 25.7 | Very low | 25.9 | Very low | 94 Ų | 94 | 147.6 Ų | 147.6 | 66% | 0.657 | 77% | 0.772 | S | S | * | * | | | trans | -33.3 | 113 | 170.9 | -179.1 | 0 | 0 | 0 | 0 | 110.5 | Y203 K207 | Y203-S205 PolarHBondContact O-N 2.88Å; S205-K207 PolarHBondContact O-N 3.15Å |
| 206 | W | 23.5 | Very low | 26 | Very low | 252 Ų | 252 | 150.9 Ų | 150.9 | 96% | 0.955 | 79% | 0.789 | S | S | * | * | | | trans | -63.1 | 79.7 | 166.6 | -83.7 | 6.3 | 0 | 0 | 0 | 109.2 | F204 N208 | F204-W206 PolarHBondContact O-N 3.06Å; W206-N208 PolarHBondContact O-N 3.47Å; W206-N208 VanDerWaalsContact O-N 3.09Å |
| 207 | K | 29.7 | Very low | 26.2 | Very low | 183 Ų | 183 | 152.8 Ų | 152.8 | 80% | 0.796 | 79% | 0.791 | S | S | * | * | | | trans | -62.1 | 114 | 165.7 | -78.5 | -173.5 | 176.8 | 176.5 | 0 | 107.4 | S205 K209 | S205-K207 PolarHBondContact O-N 3.15Å; K207-K209 PolarHBondContact O-N 2.89Å |
| 208 | N | 26.7 | Very low | 26.1 | Very low | 148 Ų | 148 | 153 Ų | 153 | 79% | 0.791 | 80% | 0.797 | S | S | * | * | | | trans | -32.6 | 121 | 178.1 | -81.1 | -64.1 | 0 | 0 | 0 | 113 | W206 R210 | W206-N208 PolarHBondContact O-N 3.47Å; W206-N208 VanDerWaalsContact O-N 3.09Å; N208-R210 PolarHBondContact O-N 3.05Å |
| 209 | K | 28.4 | Very low | 26.2 | Very low | 191 Ų | 191 | 152.7 Ų | 152.7 | 83% | 0.83 | 79% | 0.794 | S | S | * | * | | | trans | -63.5 | 75.7 | 169 | -72.1 | -177.2 | 176.4 | 179 | 0 | 110.8 | K207 H211 | K207-K209 PolarHBondContact O-N 2.89Å; K209-H211 PolarHBondContact O-N 3.14Å; K209-H211 PolarHBondContact O-ND1 3.24Å; K209-H211 VanDerWaalsContact O-ND1 3.14Å |
| 210 | R | 27 | Very low | 26.3 | Very low | 228 Ų | 228 | 155.5 Ų | 155.5 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | | | trans | -70.4 | 113.3 | 161 | -75.7 | -170.2 | 174.4 | -175.6 | -0.7 | 107.6 | N208 S212 | N208-R210 PolarHBondContact O-N 3.05Å; R210-S212 VanDerWaalsContact C-N 3.33Å; R210-S212 PolarHBondContact O-N 3.3Å |
| 211 | H | 25.4 | Very low | 26.2 | Very low | 150 Ų | 150 | 161.8 Ų | 161.8 | 69% | 0.694 | 79% | 0.792 | S | S | * | * | | | trans | -71 | 89.7 | 176.4 | -66.7 | 20.1 | 0 | 0 | 0 | 109.1 | K209 Y213 | K209-H211 PolarHBondContact O-N 3.14Å; K209-H211 PolarHBondContact O-ND1 3.24Å; K209-H211 VanDerWaalsContact O-ND1 3.14Å; H211-Y213 PolarHBondContact O-N 2.89Å |
| 212 | S | 25.9 | Very low | 26.4 | Very low | 99 Ų | 99 | 164.1 Ų | 164.1 | 69% | 0.692 | 80% | 0.801 | S | S | * | * | | | trans | -81.8 | 100.3 | 162.9 | 48.6 | 0 | 0 | 0 | 0 | 108.4 | R210 T214 | R210-S212 VanDerWaalsContact C-N 3.33Å; R210-S212 PolarHBondContact O-N 3.3Å; S212-T214 PolarHBondContact O-N 3.01Å; S212-T214 VanDerWaalsContact O-N 3.14Å |
| 213 | Y | 24 | Very low | 26.2 | Very low | 220 Ų | 220 | 167.9 Ų | 167.9 | 86% | 0.863 | 81% | 0.81 | S | S | * | * | | | trans | -63.4 | 106.9 | 164.5 | -81.4 | -99 | 0 | 0 | 0 | 108.8 | H211 | H211-Y213 PolarHBondContact O-N 2.89Š|
| 214 | T | 28.5 | Very low | 26.3 | Very low | 124 Ų | 124 | 160.6 Ų | 160.6 | 76% | 0.761 | 80% | 0.802 | S | S | * | * | | | trans | -102.7 | 125.1 | 159.6 | 19.1 | 0 | 0 | 0 | 0 | 108.4 | S212 | S212-T214 PolarHBondContact O-N 3.01Å; S212-T214 VanDerWaalsContact O-N 3.14Å |
| 215 | P | 27.1 | Very low | 26 | Very low | 120 Ų | 120 | 159.5 Ų | 159.5 | 78% | 0.779 | 80% | 0.804 | S | S | * | * | | | trans | -60.4 | 141.9 | 179 | -23.2 | 33.6 | 0 | 0 | 0 | 111.9 | L217 | P215-L217 PolarHBondContact O-N 2.82Å; P215-L217 VanDerWaalsContact O-N 3.1Å |
| 216 | T | 25.9 | Very low | 26.1 | Very low | 140 Ų | 140 | 162 Ų | 162 | 86% | 0.859 | 81% | 0.81 | S | S | * | * | | | trans | -57.1 | 108.1 | 172.9 | 41.7 | 0 | 0 | 0 | 0 | 111.8 | | |
| 217 | L | 29 | Very low | 26.2 | Very low | 175 Ų | 175 | 158.2 Ų | 158.2 | 92% | 0.916 | 81% | 0.807 | S | S | * | * | | | trans | -102.5 | 102.6 | 153.2 | -91.5 | 162.1 | 0 | 0 | 0 | 107.8 | P215 | P215-L217 PolarHBondContact O-N 2.82Å; P215-L217 VanDerWaalsContact O-N 3.1Å |
| 218 | L | 23 | Very low | 26.2 | Very low | 171 Ų | 171 | 152.6 Ų | 152.6 | 90% | 0.895 | 80% | 0.801 | S | S | * | * | | | trans | -84.4 | 109.5 | -175.9 | -179.6 | 85.9 | 0 | 0 | 0 | 110 | | |
| 219 | S | 25.7 | Very low | 26.1 | Very low | 100 Ų | 100 | 152.8 Ų | 152.8 | 70% | 0.699 | 80% | 0.802 | S | S | * | * | | | trans | -168.3 | 140.7 | 156.7 | 56.7 | 0 | 0 | 0 | 0 | 113.8 | | |
| 220 | N | 26.5 | Very low | 25.8 | Very low | 145 Ų | 145 | 148.9 Ų | 148.9 | 78% | 0.775 | 80% | 0.798 | S | S | * | * | | | trans | 71.8 | 78.7 | 156.4 | -60.1 | -1.7 | 0 | 0 | 0 | 118.6 | | |
| 221 | Y | 23.4 | Very low | 25.7 | Very low | 203 Ų | 203 | 148.2 Ų | 148.2 | 80% | 0.796 | 80% | 0.797 | S | S | * | * | | | | -2.1 | 131 | 122.4 | -67.1 | -92.8 | 0 | 0 | 0 | 116.8 | | |
| 222 | N | 29.2 | Very low | 25.7 | Very low | 169 Ų | 169 | 147.9 Ų | 147.9 | 90% | 0.904 | 80% | 0.799 | S | S | * | * | | | trans | -150.8 | 107.5 | 139.5 | -96.1 | -33.7 | 0 | 0 | 0 | 109.1 | | |
| 223 | Y | 22.2 | Very low | 25.6 | Very low | 226 Ų | 226 | 151 Ų | 151 | 89% | 0.886 | 81% | 0.808 | S | S | * | * | | | trans | -86.4 | 142.4 | 168.1 | -98.3 | -99.8 | 0 | 0 | 0 | 109.2 | | |
| 224 | G | 27.3 | Very low | 25.8 | Very low | 68 Ų | 68 | 146.5 Ų | 146.5 | 70% | 0.701 | 80% | 0.803 | S | S | * | * | | | trans | 154 | 80.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 225 | N | 22.2 | Very low | 25.5 | Very low | 143 Ų | 143 | 146.2 Ų | 146.2 | 77% | 0.765 | 81% | 0.807 | S | S | * | * | | | | 60.7 | 96.1 | 62.6 | -155.2 | 39.2 | 0 | 0 | 0 | 112.3 | | |
| 226 | N | 27.2 | Very low | 25.5 | Very low | 147 Ų | 147 | 146.5 Ų | 146.5 | 79% | 0.786 | 81% | 0.806 | S | S | * | * | | | | -177.4 | 137.7 | 116.8 | -88.2 | -26.1 | 0 | 0 | 0 | 112.5 | | |
| 227 | I | 26 | Very low | 25.3 | Very low | 173 Ų | 173 | 144.8 Ų | 144.8 | 89% | 0.887 | 80% | 0.8 | S | S | * | * | | | trans | -81.2 | 140.9 | 172.1 | -67.5 | 158.7 | 0 | 0 | 0 | 108.2 | | |
| 228 | G | 28.9 | Very low | 25.3 | Very low | 65 Ų | 65 | 142.7 Ų | 142.7 | 67% | 0.67 | 79% | 0.794 | S | S | * | * | | | trans | -142.1 | 101 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 229 | N | 25 | Very low | 25.3 | Very low | 152 Ų | 152 | 143.1 Ų | 143.1 | 81% | 0.813 | 79% | 0.792 | S | S | * | * | | | trans | 39.2 | 113 | 144.4 | -58.9 | -11.9 | 0 | 0 | 0 | 118.9 | | |
| 230 | S | 22.7 | Very low | 25.1 | Very low | 108 Ų | 108 | 143.9 Ų | 143.9 | 76% | 0.755 | 79% | 0.792 | S | S | * | * | | | | 80.9 | 118.1 | 71.1 | -174.4 | 0 | 0 | 0 | 0 | 113.9 | | |
| 231 | Y | 24.6 | Very low | 25.2 | Very low | 214 Ų | 214 | 144.4 Ų | 144.4 | 84% | 0.839 | 79% | 0.793 | S | S | * | * | | | trans | -44.1 | 146.9 | 173 | -56.7 | -96.8 | 0 | 0 | 0 | 115.4 | | |
| 232 | I | 25.8 | Very low | 25.1 | Very low | 144 Ų | 144 | 141.3 Ų | 141.3 | 74% | 0.738 | 79% | 0.791 | S | S | * | * | | | | -178.3 | 140.2 | 109.3 | -90.6 | 155.4 | 0 | 0 | 0 | 109.6 | T234 | I232-T234 HydrophobicContact CG2-CG2 4.3Š|
| 233 | N | 23.5 | Very low | 25 | Very low | 164 Ų | 164 | 139.8 Ų | 139.8 | 88% | 0.877 | 78% | 0.783 | S | S | * | * | | | trans | -82.6 | 121.6 | 168.7 | -73.5 | -32.9 | 0 | 0 | 0 | 109.8 | | |
| 234 | T | 28 | Very low | 25.3 | Very low | 125 Ų | 125 | 137.2 Ų | 137.2 | 77% | 0.767 | 78% | 0.778 | S | S | * | * | | | trans | -135 | 114.9 | 163.8 | 28.3 | 0 | 0 | 0 | 0 | 110.2 | I232 | I232-T234 HydrophobicContact CG2-CG2 4.3Š|
| 235 | S | 23 | Very low | 25.4 | Very low | 119 Ų | 119 | 140.4 Ų | 140.4 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | | | trans | -86.7 | 118.8 | 177.7 | -47.6 | 0 | 0 | 0 | 0 | 110.6 | | |
| 236 | T | 25.6 | Very low | 25.7 | Very low | 125 Ų | 125 | 140.7 Ų | 140.7 | 77% | 0.767 | 79% | 0.787 | S | S | * | * | | | trans | -158.2 | 107.4 | 161.9 | 10.1 | 0 | 0 | 0 | 0 | 113.8 | | |
| 237 | S | 22.9 | Very low | 25.8 | Very low | 105 Ų | 105 | 139.4 Ų | 139.4 | 73% | 0.734 | 78% | 0.78 | S | S | * | * | | | trans | 29.1 | 101.2 | 136.9 | 61.4 | 0 | 0 | 0 | 0 | 121.1 | | |
| 238 | V | 28.9 | Very low | 26 | Very low | 131 Ų | 131 | 139.4 Ų | 139.4 | 79% | 0.794 | 77% | 0.773 | S | S | * | * | | | trans | -143.7 | 104 | 131.8 | -173.4 | 0 | 0 | 0 | 0 | 104.9 | | |
| 239 | Q | 22 | Very low | 25.8 | Very low | 180 Ų | 180 | 144 Ų | 144 | 84% | 0.841 | 78% | 0.782 | S | S | * | * | | | | 57.3 | 153.9 | 87.7 | -81.9 | -163.2 | 2.5 | 0 | 0 | 116.4 | | |
| 240 | T | 23.2 | Very low | 26 | Very low | 115 Ų | 115 | 140.5 Ų | 140.5 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | | | trans | 76.6 | 108.4 | 172 | 31.2 | 0 | 0 | 0 | 0 | 120.3 | | |
| 241 | I | 27.9 | Very low | 26.1 | Very low | 156 Ų | 156 | 142.7 Ų | 142.7 | 80% | 0.8 | 78% | 0.777 | S | S | * | * | | | trans | 92.1 | 107.3 | 137.9 | -59.1 | 161.6 | 0 | 0 | 0 | 117.7 | | |
| 242 | N | 21.7 | Very low | 26.1 | Very low | 139 Ų | 139 | 137.5 Ų | 137.5 | 74% | 0.743 | 77% | 0.772 | S | S | * | * | | | trans | -66 | 146.7 | 164.4 | -44.4 | -44.4 | 0 | 0 | 0 | 110.9 | | |
| 243 | N | 26.7 | Very low | 26.2 | Very low | 137 Ų | 137 | 134.3 Ų | 134.3 | 73% | 0.733 | 77% | 0.768 | S | S | * | * | | | | 179.4 | 145.3 | 107.6 | -92.6 | -2.9 | 0 | 0 | 0 | 113.4 | | |
| 244 | E | 28.4 | Very low | 26.5 | Very low | 171 Ų | 171 | 133 Ų | 133 | 80% | 0.799 | 77% | 0.768 | S | S | * | * | | | trans | 70.9 | 74.5 | 151.3 | -67.1 | 172.7 | 172.1 | 0 | 0 | 119.5 | | |
| 245 | D | 30 | Very low | 26.4 | Very low | 135 Ų | 135 | 138.1 Ų | 138.1 | 72% | 0.722 | 77% | 0.774 | S | S | * | * | | | | 61.7 | 81.6 | 116.8 | -68.7 | 8.1 | 0 | 0 | 0 | 120.2 | N247 | D245-N247 VanDerWaalsContact C-N 3.31Å; D245-N247 PolarHBondContact O-N 2.83Å |
| 246 | T | 27.3 | Very low | 26.6 | Very low | 149 Ų | 149 | 142.3 Ų | 142.3 | 91% | 0.914 | 78% | 0.777 | S | S | * | * | | | trans | -56.7 | 88.2 | 144 | 47.4 | 0 | 0 | 0 | 0 | 111.9 | K248 | T246-K248 PolarHBondContact O-N 2.78Å; T246-K248 VanDerWaalsContact O-N 3.08Å |
| 247 | N | 30.4 | Very low | 26.4 | Very low | 121 Ų | 121 | 144.9 Ų | 144.9 | 65% | 0.647 | 78% | 0.782 | S | S | * | * | | | trans | -79.1 | 93.7 | 172.5 | -110.3 | -54.1 | 0 | 0 | 0 | 112.2 | D245 | D245-N247 VanDerWaalsContact C-N 3.31Å; D245-N247 PolarHBondContact O-N 2.83Å |
| 248 | K | 28.7 | Very low | 26.6 | Very low | 172 Ų | 172 | 145.8 Ų | 145.8 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | | | trans | 63.2 | 91.4 | 149.4 | -60.9 | 176.4 | -174.5 | 172.8 | 0 | 117.7 | T246 A250 | T246-K248 PolarHBondContact O-N 2.78Å; T246-K248 VanDerWaalsContact O-N 3.08Å; K248-A250 PolarHBondContact O-N 2.96Å |
| 249 | L | 25.3 | Very low | 26.6 | Very low | 161 Ų | 161 | 148.4 Ų | 148.4 | 84% | 0.843 | 78% | 0.784 | S | S | * | * | | | trans | -65.1 | 80.1 | 149.1 | -144.8 | 94.3 | 0 | 0 | 0 | 109.8 | N251 | L249-N251 PolarHBondContact O-N 2.77Š|
| 250 | A | 28.4 | Very low | 26.8 | Very low | 79 Ų | 79 | 144.6 Ų | 144.6 | 65% | 0.653 | 78% | 0.784 | S | S | * | * | | | trans | -80.5 | 81.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | K248 S252 | K248-A250 PolarHBondContact O-N 2.96Å; A250-S252 VanDerWaalsContact C-N 3.33Å; A250-S252 PolarHBondContact O-N 3.29Å |
| 251 | N | 25 | Very low | 27.2 | Very low | 155 Ų | 155 | 146.8 Ų | 146.8 | 83% | 0.829 | 79% | 0.791 | S | S | * | * | | | trans | -69.2 | 87.1 | 165.9 | -83.5 | -28.5 | 0 | 0 | 0 | 110.1 | L249 | L249-N251 PolarHBondContact O-N 2.77Š|
| 252 | S | 26.4 | Very low | 27.1 | Very low | 104 Ų | 104 | 143.9 Ų | 143.9 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | | | trans | -136 | 132.6 | 166.1 | 58.1 | 0 | 0 | 0 | 0 | 112.3 | A250 | A250-S252 VanDerWaalsContact C-N 3.33Å; A250-S252 PolarHBondContact O-N 3.29Å |
| 253 | A | 26.8 | Very low | 27.2 | Very low | 78 Ų | 78 | 146.3 Ų | 146.3 | 65% | 0.645 | 79% | 0.789 | S | S | * | * | | | trans | -61.2 | 139.1 | -161.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | W255 | A253-W255 VanDerWaalsContact C-N 3.26Å; A253-W255 PolarHBondContact O-N 2.8Å |
| 254 | P | 30.4 | Very low | 27.4 | Very low | 137 Ų | 137 | 146.6 Ų | 146.6 | 89% | 0.89 | 80% | 0.795 | S | S | * | * | | | trans | -76.4 | 77.7 | 160.9 | 32.8 | -32.9 | 0 | 0 | 0 | 110.4 | | |
| 255 | W | 24.8 | Very low | 27.3 | Very low | 232 Ų | 232 | 145.1 Ų | 145.1 | 88% | 0.879 | 79% | 0.792 | S | S | * | * | | | trans | -91.4 | 98.4 | 156.5 | -92.2 | 59.3 | 0 | 0 | 0 | 109 | A253 | A253-W255 VanDerWaalsContact C-N 3.26Å; A253-W255 PolarHBondContact O-N 2.8Å |
| 256 | K | 27.9 | Very low | 27.3 | Very low | 206 Ų | 206 | 147.4 Ų | 147.4 | 90% | 0.896 | 80% | 0.801 | S | S | * | * | | | trans | -174.9 | 123 | 142.9 | -102.5 | 155.3 | -170.4 | -178.8 | 0 | 111.7 | | |
| 257 | M | 22 | Very low | 27.2 | Very low | 179 Ų | 179 | 148.5 Ų | 148.5 | 88% | 0.882 | 79% | 0.793 | S | S | * | * | | | trans | -65.4 | 139.4 | 162.2 | -59.2 | 148.1 | 58.6 | 0 | 0 | 109.5 | | |
| 258 | T | 27.1 | Very low | 27.3 | Very low | 124 Ų | 124 | 148.5 Ų | 148.5 | 76% | 0.761 | 80% | 0.8 | S | S | * | * | | | trans | -165.8 | 132 | 130.4 | 16.7 | 0 | 0 | 0 | 0 | 113.3 | | |
| 259 | K | 28.8 | Very low | 27.2 | Very low | 187 Ų | 187 | 146 Ų | 146 | 81% | 0.813 | 80% | 0.803 | S | S | * | * | | | trans | 64.2 | 127.2 | 149.6 | -64 | -178.3 | 179.9 | -176.8 | 0 | 119.6 | | |
| 260 | A | 25.6 | Very low | 27.2 | Very low | 100 Ų | 100 | 145 Ų | 145 | 83% | 0.826 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 132.1 | 157.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 261 | D | 31.7 | Very low | 27.1 | Very low | 160 Ų | 160 | 149 Ų | 149 | 86% | 0.856 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -98.3 | 134.7 | 163.1 | -78.5 | -36.6 | 0 | 0 | 0 | 110.2 | | |
| 262 | S | 24.9 | Very low | 27.1 | Very low | 95 Ų | 95 | 147.3 Ų | 147.3 | 66% | 0.664 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -94.7 | 145.2 | -168.5 | 49.7 | 0 | 0 | 0 | 0 | 113.3 | | |
| 263 | F | 25.2 | Very low | 27.3 | Very low | 190 Ų | 190 | 149.5 Ų | 149.5 | 83% | 0.833 | 80% | 0.798 | S | S | * | * | | | trans | 50 | 115 | 152.7 | -63 | -64.6 | 0 | 0 | 0 | 120.2 | | |
| 264 | T | 30.7 | Very low | 27.2 | Very low | 143 Ų | 143 | 149 Ų | 149 | 88% | 0.877 | 80% | 0.801 | S | S | * | * | | | trans | -128.7 | 101 | 137 | 40.4 | 0 | 0 | 0 | 0 | 110.8 | | |
| 265 | L | 26.3 | Very low | 27.2 | Very low | 140 Ų | 140 | 149.4 Ų | 149.4 | 73% | 0.733 | 80% | 0.795 | S | S | * | * | | | trans | -91 | 104.4 | 171.5 | 175.9 | 76.3 | 0 | 0 | 0 | 108.8 | | |
| 266 | M | 30.2 | Very low | 27.5 | Very low | 183 Ų | 183 | 145.9 Ų | 145.9 | 90% | 0.901 | 79% | 0.793 | S | S | * | * | | | trans | -94.3 | 116 | 170.9 | -65.9 | -170.8 | 87.3 | 0 | 0 | 111.1 | | |
| 267 | K | 23.7 | Very low | 27.4 | Very low | 173 Ų | 173 | 144.2 Ų | 144.2 | 75% | 0.752 | 79% | 0.789 | S | S | * | * | | | trans | -97.5 | -172.8 | 161.9 | -60.8 | 179.4 | 174.9 | 178.2 | 0 | 108.7 | | |
| 268 | P | 32.4 | Very low | 27.8 | Very low | 121 Ų | 121 | 143.5 Ų | 143.5 | 79% | 0.786 | 79% | 0.787 | S | S | * | * | | | | -124.1 | 167.5 | -74.3 | 37.9 | -23.2 | 0 | 0 | 0 | 112.5 | | |
| 269 | S | 27.8 | Very low | 27.6 | Very low | 118 Ų | 118 | 147 Ų | 147 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | | | trans | -148.5 | 124.9 | 166.4 | 178.8 | 0 | 0 | 0 | 0 | 107.6 | | |
| 270 | L | 24 | Very low | 27.7 | Very low | 141 Ų | 141 | 146 Ų | 146 | 74% | 0.738 | 79% | 0.79 | S | S | * | * | | | cis | 87.3 | 67.4 | 24.7 | -145.7 | 172.9 | 0 | 0 | 0 | 114.5 | | |
| 271 | H | 26.9 | Very low | 27.5 | Very low | 163 Ų | 163 | 147.1 Ų | 147.1 | 76% | 0.755 | 79% | 0.787 | S | S | * | * | | | trans | -158.9 | 128.4 | 146.5 | -117.9 | 64.5 | 0 | 0 | 0 | 115.9 | | |
| 272 | N | 24.7 | Very low | 27.3 | Very low | 119 Ų | 119 | 146.9 Ų | 146.9 | 64% | 0.636 | 79% | 0.786 | S | S | * | * | | | trans | 13.5 | 126.2 | 146.5 | -55.4 | -14.7 | 0 | 0 | 0 | 121 | | |
| 273 | N | 31.1 | Very low | 27.2 | Very low | 151 Ų | 151 | 146.5 Ų | 146.5 | 81% | 0.807 | 78% | 0.783 | S | S | * | * | | | | -163.2 | 106.3 | 99.6 | -98.9 | -6 | 0 | 0 | 0 | 110.5 | | |
| 274 | G | 24.2 | Very low | 27.2 | Very low | 68 Ų | 68 | 144.8 Ų | 144.8 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | | | trans | -107.8 | 117.5 | 159.7 | 0 | 0 | 0 | 0 | 0 | 107.5 | | |
| 275 | N | 31.3 | Very low | 27 | Very low | 145 Ų | 145 | 143.5 Ų | 143.5 | 78% | 0.775 | 78% | 0.78 | S | S | * | * | | | trans | -115.5 | 94.6 | 169.7 | -76.9 | 9.3 | 0 | 0 | 0 | 107.9 | | |
| 276 | D | 31.2 | Very low | 26.8 | Very low | 157 Ų | 157 | 140.1 Ų | 140.1 | 84% | 0.84 | 78% | 0.779 | S | S | * | * | | | trans | 22.7 | 136 | 142.1 | -55.3 | -25.9 | 0 | 0 | 0 | 121.6 | | |
| 277 | E | 25.8 | Very low | 26.6 | Very low | 172 Ų | 172 | 140.1 Ų | 140.1 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | | | trans | -45.7 | 154.9 | 162.1 | -51.2 | 171.9 | 158.7 | 0 | 0 | 114.2 | | |
| 278 | I | 29.9 | Very low | 26.6 | Very low | 164 Ų | 164 | 137.8 Ų | 137.8 | 84% | 0.841 | 77% | 0.774 | S | S | * | * | | | | -175.5 | 141.9 | 121.4 | -92.2 | 152.1 | 0 | 0 | 0 | 109.8 | | |
| 279 | Y | 22.9 | Very low | 26.3 | Very low | 196 Ų | 196 | 137.8 Ų | 137.8 | 77% | 0.769 | 77% | 0.772 | S | S | * | * | | | trans | -73.4 | 144.8 | -179.8 | -72.1 | -109.4 | 0 | 0 | 0 | 112.3 | | |
| 280 | L | 30.6 | Very low | 26.3 | Very low | 166 Ų | 166 | 140.3 Ų | 140.3 | 87% | 0.869 | 78% | 0.776 | S | S | * | * | | | trans | -144.9 | 94.4 | 150.1 | -135.9 | 87.4 | 0 | 0 | 0 | 111.1 | | |
| 281 | T | 22.9 | Very low | 26.3 | Very low | 125 Ų | 125 | 141.7 Ų | 141.7 | 77% | 0.767 | 78% | 0.777 | S | S | * | * | | | trans | -80.9 | 121.1 | 163.8 | 47.8 | 0 | 0 | 0 | 0 | 108.9 | | |
| 282 | N | 26.3 | Very low | 26.5 | Very low | 154 Ų | 154 | 141.7 Ų | 141.7 | 82% | 0.824 | 78% | 0.782 | S | S | * | * | | | trans | -144.2 | 158.1 | 162.7 | -146.4 | -8.6 | 0 | 0 | 0 | 111.9 | | |
| 283 | S | 23.5 | Very low | 26.8 | Very low | 88 Ų | 88 | 142.1 Ų | 142.1 | 62% | 0.615 | 79% | 0.785 | S | S | * | * | | | trans | -127.1 | 150.4 | -151.8 | -47.9 | 0 | 0 | 0 | 0 | 114.4 | | |
| 284 | N | 24.3 | Very low | 26.8 | Very low | 154 Ų | 154 | 142.9 Ų | 142.9 | 82% | 0.824 | 79% | 0.789 | S | S | * | * | | | trans | 76.1 | 154.7 | 150.1 | -59.8 | -25.4 | 0 | 0 | 0 | 121.2 | | |
| 285 | S | 26.4 | Very low | 27 | Very low | 116 Ų | 116 | 147.6 Ų | 147.6 | 81% | 0.811 | 79% | 0.79 | S | S | * | * | | | trans | 71.3 | 136.8 | 173.9 | 76.1 | 0 | 0 | 0 | 0 | 116.9 | | |
| 286 | G | 23 | Very low | 27.1 | Very low | 69 Ų | 69 | 147.2 Ų | 147.2 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | | | cis | 117.3 | 61.2 | -11.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 287 | F | 26.5 | Very low | 27 | Very low | 183 Ų | 183 | 147.2 Ų | 147.2 | 80% | 0.803 | 79% | 0.788 | S | S | * | * | | | trans | -144.7 | 108.3 | 166 | -89.4 | -79.4 | 0 | 0 | 0 | 109.1 | | |
| 288 | T | 24 | Very low | 27.1 | Very low | 124 Ų | 124 | 148 Ų | 148 | 76% | 0.761 | 79% | 0.789 | S | S | * | * | | | | 77.7 | 128.3 | 99.9 | 58.1 | 0 | 0 | 0 | 0 | 116.6 | | |
| 289 | T | 25.7 | Very low | 27.2 | Very low | 120 Ų | 120 | 151.2 Ų | 151.2 | 74% | 0.736 | 79% | 0.792 | S | S | * | * | | | trans | -65 | 139.6 | 177.1 | 47.3 | 0 | 0 | 0 | 0 | 113.5 | | |
| 290 | N | 27.2 | Very low | 27.3 | Very low | 171 Ų | 171 | 146.9 Ų | 146.9 | 91% | 0.914 | 79% | 0.79 | S | S | * | * | | | trans | -105.8 | 125 | 162.7 | -127.3 | -2.5 | 0 | 0 | 0 | 109.5 | | |
| 291 | F | 25.2 | Very low | 27.2 | Very low | 171 Ų | 171 | 144.3 Ų | 144.3 | 75% | 0.75 | 79% | 0.786 | S | S | * | * | | | trans | -75.5 | 149.3 | 175.4 | -79.2 | -108.3 | 0 | 0 | 0 | 110 | | |
| 292 | N | 30.8 | Very low | 27.4 | Very low | 163 Ų | 163 | 146 Ų | 146 | 87% | 0.872 | 79% | 0.789 | S | S | * | * | | | trans | -143.7 | 103.9 | 154.7 | -153.6 | 8.7 | 0 | 0 | 0 | 109.1 | N294 | N292-N294 PolarHBondContact O-N 2.82Š|
| 293 | D | 31.6 | Very low | 27.4 | Very low | 128 Ų | 128 | 143.9 Ų | 143.9 | 68% | 0.684 | 79% | 0.786 | S | S | * | * | | | trans | -72 | 121.7 | 177.6 | -74.2 | -41.4 | 0 | 0 | 0 | 109.6 | | |
| 294 | N | 29.2 | Very low | 27.6 | Very low | 167 Ų | 167 | 145.9 Ų | 145.9 | 89% | 0.893 | 79% | 0.794 | S | S | * | * | | | trans | -117.9 | 111 | 161.9 | -149.3 | 6.2 | 0 | 0 | 0 | 109.2 | N292 | N292-N294 PolarHBondContact O-N 2.82Š|
| 295 | K | 28.9 | Very low | 27.6 | Very low | 167 Ų | 167 | 148.1 Ų | 148.1 | 73% | 0.726 | 79% | 0.791 | S | S | * | * | | | trans | -81.5 | 172.6 | 174.9 | -71.2 | 173.3 | 179.8 | 168.3 | 0 | 109.5 | | |
| 296 | D | 33.2 | Very low | 27.7 | Very low | 136 Ų | 136 | 148.6 Ų | 148.6 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | | | trans | 72.6 | 82.9 | 167.2 | -51.7 | -33.7 | 0 | 0 | 0 | 117.2 | | |
| 297 | N | 29.9 | Very low | 27.9 | Very low | 157 Ų | 157 | 149.7 Ų | 149.7 | 84% | 0.84 | 78% | 0.779 | S | S | * | * | | | | -152.6 | 121.6 | 116.5 | -107.2 | -50.8 | 0 | 0 | 0 | 112.7 | | |
| 298 | K | 26.6 | Very low | 28 | Very low | 190 Ų | 190 | 148.4 Ų | 148.4 | 83% | 0.826 | 78% | 0.781 | S | S | * | * | | | trans | -98.4 | 85.5 | 179.4 | -68.4 | 176.2 | -178.9 | 171.8 | 0 | 110.7 | | |
| 299 | Y | 33.4 | Very low | 28.1 | Very low | 230 Ų | 230 | 151.4 Ų | 151.4 | 90% | 0.902 | 78% | 0.779 | S | S | * | * | | | trans | -139.3 | 121.1 | 159.1 | -80 | -72.3 | 0 | 0 | 0 | 110.9 | | |
| 300 | S | 25 | Very low | 28.3 | Very low | 105 Ų | 105 | 153.5 Ų | 153.5 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | | | trans | -114.2 | 151.1 | -176.6 | 54.3 | 0 | 0 | 0 | 0 | 111.4 | | |
| 301 | S | 27.2 | Very low | 28.4 | Very low | 113 Ų | 113 | 151.1 Ų | 151.1 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | | | trans | 66.4 | 126.3 | -175.7 | 77 | 0 | 0 | 0 | 0 | 112.9 | | |
| 302 | L | 28.4 | Very low | 28.8 | Very low | 159 Ų | 159 | 151.3 Ų | 151.3 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | | | | -160.9 | 157.2 | 52.7 | -153.4 | 69.2 | 0 | 0 | 0 | 109.8 | | |
| 303 | C | 25.6 | Very low | 28.7 | Very low | 111 Ų | 111 | 152.5 Ų | 152.5 | 75% | 0.75 | 78% | 0.783 | S | S | * | * | | | trans | 25.9 | 119.3 | 166.3 | -73.5 | 0 | 0 | 0 | 0 | 119.2 | | |
| 304 | T | 27.4 | Very low | 28.7 | Very low | 129 Ų | 129 | 155.9 Ų | 155.9 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | | | | -151.9 | 142.7 | 63.3 | 34.9 | 0 | 0 | 0 | 0 | 113.2 | T306 | T304-T306 PolarHBondContact O-N 2.93Š|
| 305 | R | 24 | Very low | 28.6 | Very low | 201 Ų | 201 | 159 Ų | 159 | 76% | 0.758 | 79% | 0.791 | S | S | * | * | | | trans | -87.4 | 85.8 | -177.6 | 179.9 | -176.2 | 172.9 | 167.3 | 4 | 110.5 | N307 | R305-N307 WeakPolarHBondContact CG-OD1 3.35Å; R305-N307 PolarHBondContact NE-OD1 2.97Å; R305-N307 PolarHBondContact O-N 2.91Å; R305-N307 VanDerWaalsContact O-N 3.15Å |
| 306 | T | 30.2 | Very low | 28.6 | Very low | 126 Ų | 126 | 156.7 Ų | 156.7 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | | | trans | -69.6 | 103.6 | 162.8 | 33.1 | 0 | 0 | 0 | 0 | 108.9 | T304 N308 | T304-T306 PolarHBondContact O-N 2.93Å; T306-N308 PolarHBondContact O-N 2.94Å; T306-N308 VanDerWaalsContact O-N 3.12Å |
| 307 | N | 26.8 | Very low | 28.4 | Very low | 92 Ų | 92 | 154.9 Ų | 154.9 | 49% | 0.492 | 79% | 0.794 | S | S | . | * | | | trans | -72.7 | 104.6 | -176.1 | -71.1 | -64 | 0 | 0 | 0 | 111.1 | R305 Y309 | R305-N307 WeakPolarHBondContact CG-OD1 3.35Å; R305-N307 PolarHBondContact NE-OD1 2.97Å; R305-N307 PolarHBondContact O-N 2.91Å; R305-N307 VanDerWaalsContact O-N 3.15Å; N307-Y309 HydrophobicContact CB-CD2 3.84Å; N307-Y309 HydrophobicContact CB-CE2 4.12Å; N307-Y309 PolarHBondContact O-N 2.95Å |
| 308 | N | 27.2 | Very low | 28.3 | Very low | 157 Ų | 157 | 152.5 Ų | 152.5 | 84% | 0.84 | 79% | 0.789 | S | S | * | * | | | trans | -67.6 | 97.9 | 163.6 | -78.4 | -35.6 | 0 | 0 | 0 | 110.2 | T306 | T306-N308 PolarHBondContact O-N 2.94Å; T306-N308 VanDerWaalsContact O-N 3.12Å |
| 309 | Y | 26.9 | Very low | 28.3 | Very low | 187 Ų | 187 | 149.2 Ų | 149.2 | 73% | 0.733 | 79% | 0.785 | S | S | * | * | | | trans | -126.1 | 67.9 | 168.2 | -80.2 | -66.4 | 0 | 0 | 0 | 110.7 | N307 | N307-Y309 HydrophobicContact CB-CD2 3.84Å; N307-Y309 HydrophobicContact CB-CE2 4.12Å; N307-Y309 PolarHBondContact O-N 2.95Å |
| 310 | D | 30.3 | Very low | 28.1 | Very low | 164 Ų | 164 | 142.7 Ų | 142.7 | 88% | 0.877 | 77% | 0.773 | S | S | * | * | | | trans | -151.5 | 42.8 | 170.4 | -107.5 | -28.4 | 0 | 0 | 0 | 113.6 | | |
| 311 | T | 28.8 | Very low | 28.5 | Very low | 120 Ų | 120 | 143.5 Ų | 143.5 | 74% | 0.736 | 78% | 0.776 | S | S | * | * | | | trans | -130.2 | 24.3 | 173.9 | 53.7 | 0 | 0 | 0 | 0 | 114.2 | F313 | T311-F313 PolarHBondContact O-N 3.37Š|
| 312 | L | 32.6 | Very low | 28.6 | Very low | 176 Ų | 176 | 149.3 Ų | 149.3 | 92% | 0.921 | 78% | 0.782 | S | S | * | * | | | trans | -77.9 | 83.6 | 161.1 | -81.9 | 174.6 | 0 | 0 | 0 | 109.9 | K314 | L312-K314 PolarHBondContact O-N 3.04Š|
| 313 | F | 30.3 | Very low | 28.8 | Very low | 188 Ų | 188 | 152.3 Ų | 152.3 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | | | trans | -35.7 | 104.5 | 166.3 | -94.3 | -104.7 | 0 | 0 | 0 | 110.9 | T311 R315 | T311-F313 PolarHBondContact O-N 3.37Å; F313-R315 VanDerWaalsContact C-N 3.29Å; F313-R315 PolarHBondContact O-N 3.42Å |
| 314 | K | 31.4 | Very low | 29.2 | Very low | 198 Ų | 198 | 152.1 Ų | 152.1 | 86% | 0.861 | 78% | 0.78 | S | S | * | * | | | trans | -64.1 | 99.2 | 161.3 | -79.1 | -178.2 | 180 | 170.6 | 0 | 106.6 | L312 S316 | L312-K314 PolarHBondContact O-N 3.04Å; K314-S316 PolarHBondContact O-N 2.86Å |
| 315 | R | 26.7 | Very low | 29.8 | Very low | 234 Ų | 234 | 153.5 Ų | 153.5 | 88% | 0.883 | 78% | 0.782 | S | S | * | * | | | trans | -44.6 | 118.7 | 170.4 | -74.1 | 178.8 | 168.9 | -177.8 | -4.7 | 108.1 | F313 S317 | F313-R315 VanDerWaalsContact C-N 3.29Å; F313-R315 PolarHBondContact O-N 3.42Å; R315-S317 VanDerWaalsContact C-N 3.28Å; R315-S317 PolarHBondContact O-N 3.47Å |
| 316 | S | 28.3 | Very low | 30.3 | Very low | 117 Ų | 117 | 148 Ų | 148 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | | | trans | -60.7 | 90.3 | 178.5 | -43.1 | 0 | 0 | 0 | 0 | 109 | K314 S318 | K314-S316 PolarHBondContact O-N 2.86Å; S316-S318 PolarHBondContact O-N 3.1Å |
| 317 | S | 28.8 | Very low | 30.4 | Very low | 98 Ų | 98 | 149.7 Ų | 149.7 | 69% | 0.685 | 78% | 0.784 | S | S | * | * | | | trans | -70.3 | 88.2 | 170.8 | 57.3 | 0 | 0 | 0 | 0 | 107 | R315 T319 | R315-S317 VanDerWaalsContact C-N 3.28Å; R315-S317 PolarHBondContact O-N 3.47Å; S317-T319 PolarHBondContact O-N 3Å |
| 318 | S | 28.2 | Very low | 30.5 | Very low | 107 Ų | 107 | 155.6 Ų | 155.6 | 75% | 0.748 | 80% | 0.801 | S | S | * | * | | | trans | -71.1 | 55.1 | 174.9 | 63.2 | 0 | 0 | 0 | 0 | 110.7 | S316 S320 | S316-S318 PolarHBondContact O-N 3.1Å; S318-S320 PolarHBondContact O-N 2.82Å |
| 319 | T | 27.7 | Very low | 30.6 | Very low | 121 Ų | 121 | 159 Ų | 159 | 74% | 0.742 | 80% | 0.802 | S | S | * | * | | | trans | -78.3 | 77.2 | 161.6 | 52.1 | 0 | 0 | 0 | 0 | 106.7 | S317 | S317-T319 PolarHBondContact O-N 3Š|
| 320 | S | 28.7 | Very low | 30.8 | Very low | 93 Ų | 93 | 154.9 Ų | 154.9 | 65% | 0.65 | 80% | 0.798 | S | S | * | * | | | trans | -43.8 | 131.1 | 165.5 | -47.5 | 0 | 0 | 0 | 0 | 108.2 | S318 Y322 | S318-S320 PolarHBondContact O-N 2.82Å; S320-Y322 PolarHBondContact O-N 2.77Å; S320-Y322 VanDerWaalsContact O-N 3.11Å |
| 321 | P | 33.6 | Very low | 30.8 | Very low | 122 Ų | 122 | 152.5 Ų | 152.5 | 79% | 0.792 | 79% | 0.794 | S | S | * | * | | | trans | -54.2 | 126.9 | 178.8 | 22.5 | -32.7 | 0 | 0 | 0 | 108.1 | R323 | P321-R323 PolarHBondContact O-N 3.39Š|
| 322 | Y | 28.6 | Very low | 31 | Very low | 235 Ų | 235 | 156.6 Ų | 156.6 | 92% | 0.922 | 80% | 0.796 | S | S | * | * | | | trans | -50.4 | 104.2 | -176.6 | -103.3 | -99.1 | 0 | 0 | 0 | 108.9 | S320 P324 | S320-Y322 PolarHBondContact O-N 2.77Å; S320-Y322 VanDerWaalsContact O-N 3.11Å; Y322-P324 WeakPolarHBondContact O-CD 3.42Å; Y322-P324 VanDerWaalsContact O-N 3.14Å |
| 323 | R | 32.6 | Very low | 30.9 | Very low | 223 Ų | 223 | 153.8 Ų | 153.8 | 84% | 0.842 | 79% | 0.792 | S | S | * | * | | | trans | -57.4 | 122.1 | 177.4 | -165.1 | -179 | -165.4 | -161.2 | 5.1 | 105.9 | P321 L325 | P321-R323 PolarHBondContact O-N 3.39Å; R323-L325 PolarHBondContact O-N 3.12Å |
| 324 | P | 34.8 | Very low | 31 | Very low | 106 Ų | 106 | 151.7 Ų | 151.7 | 69% | 0.688 | 79% | 0.788 | S | S | * | * | | | trans | -52.2 | 130.7 | 176.7 | -25.9 | 34.2 | 0 | 0 | 0 | 108.3 | Y322 A326 | Y322-P324 WeakPolarHBondContact O-CD 3.42Å; Y322-P324 VanDerWaalsContact O-N 3.14Å; P324-A326 PolarHBondContact O-N 2.86Å |
| 325 | L | 38.8 | Very low | 30.9 | Very low | 158 Ų | 158 | 147 Ų | 147 | 83% | 0.827 | 78% | 0.78 | S | S | * | * | | | trans | -73.7 | 61.1 | 174.1 | -72.1 | 171 | 0 | 0 | 0 | 109.5 | R323 N327 Y328 | R323-L325 PolarHBondContact O-N 3.12Å; L325-N327 PolarHBondContact O-N 2.84Å; L325-Y328 PolarHBondContact O-N 3.32Å |
| 326 | A | 35.2 | Very low | 31.1 | Very low | 87 Ų | 87 | 140.1 Ų | 140.1 | 72% | 0.719 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73 | 53.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | P324 | P324-A326 PolarHBondContact O-N 2.86Š|
| 327 | N | 32.4 | Very low | 31 | Very low | 160 Ų | 160 | 142 Ų | 142 | 86% | 0.856 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -157.8 | 6 | 171.7 | -98.9 | -23.3 | 0 | 0 | 0 | 113.8 | L325 R329 | L325-N327 PolarHBondContact O-N 2.84Å; N327-R329 PolarHBondContact O-N 3.44Å |
| 328 | Y | 29.7 | Very low | 30.9 | Very low | 216 Ų | 216 | 144.1 Ų | 144.1 | 85% | 0.847 | 77% | 0.768 | S | S | * | * | | | trans | -80.1 | 69.9 | 163.1 | -124.1 | -90 | 0 | 0 | 0 | 110.2 | L325 P330 | L325-Y328 PolarHBondContact O-N 3.32Å; Y328-P330 VanDerWaalsContact O-CD 3.3Å; Y328-P330 WeakPolarHBondContact O-CD 3.46Å |
| 329 | R | 29 | Very low | 30.9 | Very low | 228 Ų | 228 | 148.4 Ų | 148.4 | 86% | 0.86 | 77% | 0.773 | S | S | * | * | | | trans | -75.9 | 113.3 | 169.9 | -163.4 | 179.6 | -164.8 | -177.4 | 4.8 | 107.1 | N327 S331 | N327-R329 PolarHBondContact O-N 3.44Å; R329-S331 PolarHBondContact O-N 3.13Å |
| 330 | P | 31.4 | Very low | 31 | Very low | 102 Ų | 102 | 148.6 Ų | 148.6 | 66% | 0.662 | 77% | 0.768 | S | S | * | * | | | trans | -63.6 | 122.7 | -178.7 | -20.7 | 33.8 | 0 | 0 | 0 | 109.8 | Y328 W332 | Y328-P330 VanDerWaalsContact O-CD 3.3Å; Y328-P330 WeakPolarHBondContact O-CD 3.46Å; P330-W332 PolarHBondContact O-N 3.11Å |
| 331 | S | 30.4 | Very low | 31.1 | Very low | 113 Ų | 113 | 151.3 Ų | 151.3 | 79% | 0.79 | 77% | 0.774 | S | S | * | * | | | trans | -75.7 | 61.8 | 178 | 36.9 | 0 | 0 | 0 | 0 | 111.7 | R329 | R329-S331 PolarHBondContact O-N 3.13Š|
| 332 | W | 32.2 | Very low | 30.9 | Very low | 206 Ų | 206 | 149.6 Ų | 149.6 | 78% | 0.78 | 77% | 0.766 | S | S | * | * | | | trans | -129.7 | 61.3 | 172.5 | -65.6 | 82 | 0 | 0 | 0 | 109.8 | P330 L334 | P330-W332 PolarHBondContact O-N 3.11Å; W332-L334 PolarHBondContact O-N 3.45Å |
| 333 | S | 30.8 | Very low | 30.7 | Very low | 118 Ų | 118 | 145.1 Ų | 145.1 | 83% | 0.825 | 76% | 0.757 | S | S | * | * | | | trans | -69.8 | 75.1 | 158.2 | 55.7 | 0 | 0 | 0 | 0 | 108.7 | S335 | S333-S335 PolarHBondContact O-N 2.71Š|
| 334 | L | 31.1 | Very low | 30.5 | Very low | 143 Ų | 143 | 142 Ų | 142 | 75% | 0.749 | 75% | 0.753 | S | S | * | * | | | trans | -64.4 | 105.4 | 165.7 | -83.3 | 165.4 | 0 | 0 | 0 | 107.1 | W332 S336 | W332-L334 PolarHBondContact O-N 3.45Å; L334-S336 PolarHBondContact O-N 3.03Å |
| 335 | S | 29.8 | Very low | 30.3 | Very low | 100 Ų | 100 | 142.7 Ų | 142.7 | 70% | 0.699 | 76% | 0.755 | S | S | * | * | | | trans | -68.7 | 75.5 | 173.8 | 60 | 0 | 0 | 0 | 0 | 109.5 | S333 N337 | S333-S335 PolarHBondContact O-N 2.71Å; S335-N337 PolarHBondContact O-N 3.36Å |
| 336 | S | 30.7 | Very low | 29.9 | Very low | 90 Ų | 90 | 141.9 Ų | 141.9 | 63% | 0.629 | 75% | 0.751 | S | S | * | * | | | trans | -65.5 | 98.3 | 167.6 | 179 | 0 | 0 | 0 | 0 | 107.5 | L334 H338 | L334-S336 PolarHBondContact O-N 3.03Å; S336-H338 PolarHBondContact O-N 3.18Å |
| 337 | N | 26.2 | Very low | 29.4 | Very low | 157 Ų | 157 | 148.3 Ų | 148.3 | 84% | 0.84 | 76% | 0.758 | S | S | * | * | | | trans | -69.5 | 55.9 | 172.2 | -76.8 | -36.7 | 0 | 0 | 0 | 110.9 | S335 K339 | S335-N337 PolarHBondContact O-N 3.36Å; N337-K339 PolarHBondContact O-N 3.26Å |
| 338 | H | 26.8 | Very low | 29.1 | Very low | 142 Ų | 142 | 147.7 Ų | 147.7 | 66% | 0.657 | 76% | 0.755 | S | S | * | * | | | trans | -86.7 | 90.5 | 171.3 | -108.7 | -68.5 | 0 | 0 | 0 | 109.3 | S336 I340 | S336-H338 PolarHBondContact O-N 3.18Å; H338-I340 HydrophobicContact CB-CD1 4.4Å; H338-I340 HydrophobicContact CB-CG1 4.17Å; H338-I340 PolarHBondContact O-N 2.83Å |
| 339 | K | 28.5 | Very low | 28.9 | Very low | 196 Ų | 196 | 142.2 Ų | 142.2 | 85% | 0.852 | 75% | 0.748 | S | S | * | * | | | trans | -59.2 | 81.8 | 153.5 | -78.5 | -178.6 | 171.9 | 179.9 | 0 | 108.4 | N337 L341 | N337-K339 PolarHBondContact O-N 3.26Å; K339-L341 PolarHBondContact O-N 2.91Å |
| 340 | I | 29.5 | Very low | 29 | Very low | 126 Ų | 126 | 136.1 Ų | 136.1 | 65% | 0.646 | 74% | 0.736 | S | S | * | * | | | trans | -86.6 | 100.3 | 162.8 | -64.4 | 174.9 | 0 | 0 | 0 | 105.5 | H338 S342 | H338-I340 HydrophobicContact CB-CD1 4.4Å; H338-I340 HydrophobicContact CB-CG1 4.17Å; H338-I340 PolarHBondContact O-N 2.83Å; I340-S342 PolarHBondContact O-N 3.07Å |
| 341 | L | 31.2 | Very low | 28.8 | Very low | 149 Ų | 149 | 138 Ų | 138 | 78% | 0.78 | 74% | 0.74 | S | S | * | * | | | trans | -68.7 | 74.7 | 165.6 | -73.9 | 156.7 | 0 | 0 | 0 | 108 | K339 N343 | K339-L341 PolarHBondContact O-N 2.91Å; L341-N343 PolarHBondContact O-N 3.12Å |
| 342 | S | 28.9 | Very low | 28.7 | Very low | 87 Ų | 87 | 139.3 Ų | 139.3 | 61% | 0.608 | 74% | 0.738 | S | S | * | * | | | trans | -72.9 | 85 | 166.7 | 53 | 0 | 0 | 0 | 0 | 107.9 | I340 E344 | I340-S342 PolarHBondContact O-N 3.07Å; S342-E344 PolarHBondContact O-N 2.93Å |
| 343 | N | 25 | Very low | 28.5 | Very low | 140 Ų | 140 | 137.1 Ų | 137.1 | 75% | 0.749 | 74% | 0.737 | S | S | * | * | | | trans | -67.7 | 64.3 | 162.3 | -74.9 | -7.4 | 0 | 0 | 0 | 109.1 | L341 T345 | L341-N343 PolarHBondContact O-N 3.12Å; N343-T345 PolarHBondContact O-N 2.9Å |
| 344 | E | 28.4 | Very low | 28.4 | Very low | 158 Ų | 158 | 138.4 Ų | 138.4 | 74% | 0.738 | 74% | 0.735 | S | S | * | * | | | trans | -87.1 | 88 | 163.5 | -70.9 | -167.7 | -179.3 | 0 | 0 | 107.3 | S342 L346 | S342-E344 PolarHBondContact O-N 2.93Å; E344-L346 PolarHBondContact O-N 2.97Å |
| 345 | T | 30.6 | Very low | 28.1 | Very low | 121 Ų | 121 | 140 Ų | 140 | 74% | 0.742 | 74% | 0.738 | S | S | * | * | | | trans | -63.4 | 79.6 | 162.8 | 47.2 | 0 | 0 | 0 | 0 | 108.6 | N343 Y347 | N343-T345 PolarHBondContact O-N 2.9Å; T345-Y347 PolarHBondContact O-N 3.09Å |
| 346 | L | 29.9 | Very low | 28 | Very low | 141 Ų | 141 | 145.3 Ų | 145.3 | 74% | 0.738 | 74% | 0.744 | S | S | * | * | | | trans | -60.5 | 118.6 | 166.6 | -78 | 169.4 | 0 | 0 | 0 | 107.7 | E344 N348 | E344-L346 PolarHBondContact O-N 2.97Å; L346-N348 PolarHBondContact O-N 3.35Å |
| 347 | Y | 24.7 | Very low | 28 | Very low | 222 Ų | 222 | 146.6 Ų | 146.6 | 87% | 0.871 | 75% | 0.748 | S | S | * | * | | | trans | -59.3 | 98.1 | 174.9 | -95.5 | -111.3 | 0 | 0 | 0 | 109.4 | T345 S349 | T345-Y347 PolarHBondContact O-N 3.09Å; Y347-S349 PolarHBondContact O-N 3.29Å |
| 348 | N | 26.9 | Very low | 28.1 | Very low | 147 Ų | 147 | 144.8 Ų | 144.8 | 79% | 0.786 | 74% | 0.743 | S | S | * | * | | | trans | -73.4 | 79.5 | 163.4 | -81.6 | -16.8 | 0 | 0 | 0 | 108.8 | L346 V350 | L346-N348 PolarHBondContact O-N 3.35Å; N348-V350 HydrophobicContact CB-CG2 4.46Å; N348-V350 PolarHBondContact O-N 3.01Å |
| 349 | S | 25 | Very low | 28.2 | Very low | 100 Ų | 100 | 143.8 Ų | 143.8 | 70% | 0.699 | 75% | 0.749 | S | S | * | * | | | trans | -69.4 | 85.5 | 155.6 | 173 | 0 | 0 | 0 | 0 | 107 | Y347 | Y347-S349 PolarHBondContact O-N 3.29Š|
| 350 | V | 31.5 | Very low | 28.4 | Very low | 101 Ų | 101 | 144.2 Ų | 144.2 | 61% | 0.612 | 75% | 0.751 | S | S | * | * | | | trans | -114 | 97.3 | 165.2 | -179.5 | 0 | 0 | 0 | 0 | 106.1 | N348 N352 | N348-V350 HydrophobicContact CB-CG2 4.46Å; N348-V350 PolarHBondContact O-N 3.01Å; V350-N352 PolarHBondContact O-N 3.26Å |
| 351 | D | 26.6 | Very low | 28.3 | Very low | 141 Ų | 141 | 147 Ų | 147 | 75% | 0.754 | 76% | 0.761 | S | S | * | * | | | trans | -61.3 | 101.5 | 170.2 | -66.3 | -51 | 0 | 0 | 0 | 109 | | |
| 352 | N | 28.8 | Very low | 28.4 | Very low | 140 Ų | 140 | 149.2 Ų | 149.2 | 75% | 0.749 | 76% | 0.764 | S | S | * | * | | | trans | -130.9 | 76 | 164.2 | -101.5 | -29.2 | 0 | 0 | 0 | 108.9 | V350 N354 | V350-N352 PolarHBondContact O-N 3.26Å; N352-N354 PolarHBondContact O-N 3.02Å; N352-N354 VanDerWaalsContact O-N 3.08Å |
| 353 | Q | 27.4 | Very low | 28.3 | Very low | 161 Ų | 161 | 155.3 Ų | 155.3 | 75% | 0.752 | 78% | 0.776 | S | S | * | * | | | trans | -59.5 | 101.4 | 158.6 | -70.7 | -73.7 | -4.4 | 0 | 0 | 108.5 | | |
| 354 | N | 29.1 | Very low | 28.8 | Very low | 145 Ų | 145 | 156.3 Ų | 156.3 | 78% | 0.775 | 78% | 0.78 | S | S | * | * | | | trans | -160.4 | 83.4 | 156.6 | -96.6 | -36.5 | 0 | 0 | 0 | 108.7 | N352 Y356 | N352-N354 PolarHBondContact O-N 3.02Å; N352-N354 VanDerWaalsContact O-N 3.08Å; N354-Y356 PolarHBondContact O-N 3.34Å |
| 355 | E | 24.4 | Very low | 28.9 | Very low | 175 Ų | 175 | 155.6 Ų | 155.6 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | | | trans | -61.9 | 112.9 | 164.9 | -61 | 179.3 | 126.2 | 0 | 0 | 109.4 | | |
| 356 | Y | 28.7 | Very low | 28.9 | Very low | 213 Ų | 213 | 155 Ų | 155 | 84% | 0.835 | 78% | 0.782 | S | S | * | * | | | trans | -153.9 | 124.5 | 158.4 | -97.6 | -60.5 | 0 | 0 | 0 | 113.7 | N354 | N354-Y356 PolarHBondContact O-N 3.34Š|
| 357 | V | 29.9 | Very low | 28.9 | Very low | 117 Ų | 117 | 157.1 Ų | 157.1 | 71% | 0.709 | 79% | 0.786 | S | S | * | * | | | trans | 68 | 88.3 | 154.4 | -163 | 0 | 0 | 0 | 0 | 119.1 | | |
| 358 | T | 28.5 | Very low | 29.3 | Very low | 118 Ų | 118 | 153.8 Ų | 153.8 | 72% | 0.724 | 78% | 0.781 | S | S | * | * | | | | 55.1 | 122.3 | 121.8 | -35.4 | 0 | 0 | 0 | 0 | 120.6 | | |
| 359 | P | 28.9 | Very low | 29.4 | Very low | 121 Ų | 121 | 150.6 Ų | 150.6 | 79% | 0.786 | 77% | 0.77 | S | S | * | * | | | trans | -76.2 | 142.6 | 179.4 | 32.5 | -35.9 | 0 | 0 | 0 | 113.5 | | |
| 360 | K | 32.2 | Very low | 29.4 | Very low | 206 Ų | 206 | 153.6 Ų | 153.6 | 90% | 0.896 | 78% | 0.779 | S | S | * | * | | | trans | -111.6 | 111.3 | 162.9 | -81 | -175.6 | 176.9 | 174.8 | 0 | 110.7 | | |
| 361 | Q | 27.1 | Very low | 29.2 | Very low | 184 Ų | 184 | 155.7 Ų | 155.7 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | | | trans | -65.3 | 129.8 | 167.5 | -66.7 | 165.7 | -31.8 | 0 | 0 | 110.2 | | |
| 362 | K | 34.4 | Very low | 29.2 | Very low | 196 Ų | 196 | 155.8 Ų | 155.8 | 85% | 0.852 | 79% | 0.787 | S | S | * | * | | | trans | -141.2 | 98.6 | 156.5 | -81 | -164.5 | 174.6 | -175.2 | 0 | 110.5 | | |
| 363 | Y | 27.1 | Very low | 29.3 | Very low | 215 Ų | 215 | 156.5 Ų | 156.5 | 84% | 0.843 | 79% | 0.789 | S | S | * | * | | | | 27.1 | 111.4 | 129.7 | -75.6 | -87.9 | 0 | 0 | 0 | 118.1 | | |
| 364 | L | 34.1 | Very low | 29.3 | Very low | 161 Ų | 161 | 154.1 Ų | 154.1 | 84% | 0.843 | 79% | 0.79 | S | S | * | * | | | | -179.2 | 118.5 | 94.7 | -99 | 163 | 0 | 0 | 0 | 111.5 | S366 | L364-S366 PolarHBondContact O-N 3.16Š|
| 365 | D | 30.6 | Very low | 29.2 | Very low | 142 Ų | 142 | 154.1 Ų | 154.1 | 76% | 0.759 | 79% | 0.79 | S | S | * | * | | | trans | -68.4 | 117 | 163.4 | -80.9 | -62.4 | 0 | 0 | 0 | 109.8 | | |
| 366 | S | 30.7 | Very low | 29.4 | Very low | 110 Ų | 110 | 154.2 Ų | 154.2 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | | | trans | -107.6 | 76.5 | 164.6 | -128.6 | 0 | 0 | 0 | 0 | 110.1 | L364 I368 | L364-S366 PolarHBondContact O-N 3.16Å; S366-I368 PolarHBondContact O-N 3.08Å |
| 367 | K | 30.9 | Very low | 29.4 | Very low | 185 Ų | 185 | 153 Ų | 153 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | | | trans | -83.9 | 91.3 | 166.9 | -71.6 | -177.9 | -178.3 | 173.4 | 0 | 109.1 | | |
| 368 | I | 31.8 | Very low | 29.1 | Very low | 151 Ų | 151 | 158.3 Ų | 158.3 | 77% | 0.774 | 80% | 0.797 | S | S | * | * | | | trans | -115.6 | 100.1 | 168.5 | -60.8 | -176.1 | 0 | 0 | 0 | 110.4 | S366 | S366-I368 PolarHBondContact O-N 3.08Š|
| 369 | S | 29.6 | Very low | 29.4 | Very low | 80 Ų | 80 | 157.6 Ų | 157.6 | 56% | 0.559 | 79% | 0.794 | S | S | * | * | | | trans | 36.2 | 105.5 | 146.6 | -152.1 | 0 | 0 | 0 | 0 | 120.2 | N371 | S369-N371 PolarHBondContact O-N 3.37Å; S369-N371 PolarHBondContact OG-OD1 3.23Å |
| 370 | N | 24.5 | Very low | 29.4 | Very low | 164 Ų | 164 | 156.4 Ų | 156.4 | 88% | 0.877 | 79% | 0.789 | S | S | * | * | | | trans | -73.5 | 93 | 149.5 | -83.6 | -24.8 | 0 | 0 | 0 | 109.5 | N372 | N370-N372 PolarHBondContact O-N 3.45Å; N370-N372 VanDerWaalsContact O-N 3.11Å |
| 371 | N | 27.9 | Very low | 29.4 | Very low | 145 Ų | 145 | 153.9 Ų | 153.9 | 78% | 0.775 | 79% | 0.785 | S | S | * | * | | | trans | -74.6 | 98.7 | 165.8 | -86.4 | -1.5 | 0 | 0 | 0 | 110 | S369 | S369-N371 PolarHBondContact O-N 3.37Å; S369-N371 PolarHBondContact OG-OD1 3.23Å |
| 372 | N | 26.6 | Very low | 29.4 | Very low | 143 Ų | 143 | 151.3 Ų | 151.3 | 77% | 0.765 | 78% | 0.777 | S | S | * | * | | | trans | -61.7 | 135.8 | 152.2 | -73.7 | -47.7 | 0 | 0 | 0 | 108.8 | N370 | N370-N372 PolarHBondContact O-N 3.45Å; N370-N372 VanDerWaalsContact O-N 3.11Å |
| 373 | I | 31.4 | Very low | 29.2 | Very low | 155 Ų | 155 | 149.9 Ų | 149.9 | 80% | 0.795 | 77% | 0.774 | S | S | * | * | | | | -176.2 | 122.8 | 125.1 | -92.6 | 151.2 | 0 | 0 | 0 | 107.8 | | |
| 374 | S | 27.1 | Very low | 29 | Very low | 111 Ų | 111 | 145.9 Ų | 145.9 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | | | trans | -73.6 | 123.8 | 164.2 | 43 | 0 | 0 | 0 | 0 | 109.3 | | |
| 375 | N | 26.9 | Very low | 28.8 | Very low | 144 Ų | 144 | 144.8 Ų | 144.8 | 77% | 0.77 | 77% | 0.772 | S | S | * | * | | | trans | -156.4 | 147.8 | 145 | -106.1 | -38.3 | 0 | 0 | 0 | 113.3 | | |
| 376 | K | 28 | Very low | 28.7 | Very low | 177 Ų | 177 | 143.8 Ų | 143.8 | 77% | 0.77 | 77% | 0.771 | S | S | * | * | | | trans | -46.1 | 135.9 | 179.2 | -56.5 | 148.6 | 179.9 | 173.7 | 0 | 111.9 | | |
| 377 | H | 29.7 | Very low | 28.6 | Very low | 187 Ų | 187 | 142.4 Ų | 142.4 | 87% | 0.866 | 77% | 0.774 | S | S | * | * | | | | -171.5 | 118.2 | 121.6 | -93.7 | -60.5 | 0 | 0 | 0 | 112 | | |
| 378 | R | 24.4 | Very low | 28.4 | Very low | 229 Ų | 229 | 139.7 Ų | 139.7 | 86% | 0.864 | 77% | 0.773 | S | S | * | * | | | trans | -103.7 | 139.9 | 146.4 | -175.2 | 176.6 | -176.8 | 158.6 | 2.7 | 103.6 | | |
| 379 | P | 33.9 | Very low | 28.3 | Very low | 104 Ų | 104 | 141.8 Ų | 141.8 | 68% | 0.675 | 78% | 0.78 | S | S | * | * | | | cis | -134.1 | 170.8 | 32.1 | 41.6 | -26.1 | 0 | 0 | 0 | 116.1 | | |
| 380 | S | 28.2 | Very low | 28.3 | Very low | 96 Ų | 96 | 144.3 Ų | 144.3 | 67% | 0.671 | 79% | 0.792 | S | S | * | * | | | trans | -153 | 104.5 | 143.3 | 62.7 | 0 | 0 | 0 | 0 | 108.8 | N382 | S380-N382 PolarHBondContact O-N 3.43Š|
| 381 | D | 32.8 | Very low | 28.5 | Very low | 153 Ų | 153 | 142.4 Ų | 142.4 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | | | trans | -77.5 | 111.2 | 168.5 | -62.2 | -52 | 0 | 0 | 0 | 107.6 | | |
| 382 | N | 27 | Very low | 28.5 | Very low | 129 Ų | 129 | 144.2 Ų | 144.2 | 69% | 0.69 | 79% | 0.794 | S | S | * | * | | | trans | -90.5 | 144.8 | 179.3 | -93.5 | 5.7 | 0 | 0 | 0 | 111.5 | S380 | S380-N382 PolarHBondContact O-N 3.43Š|
| 383 | E | 29.5 | Very low | 28.6 | Very low | 167 Ų | 167 | 143.1 Ų | 143.1 | 78% | 0.78 | 79% | 0.793 | S | S | * | * | | | trans | 71.1 | 78.8 | 151.4 | -66 | 173.2 | 157.2 | 0 | 0 | 118.2 | | |
| 384 | T | 24.4 | Very low | 28.4 | Very low | 130 Ų | 130 | 141.6 Ų | 141.6 | 80% | 0.798 | 79% | 0.791 | S | S | * | * | | | | 36.1 | 107.8 | 104.9 | -45.6 | 0 | 0 | 0 | 0 | 117.7 | | |
| 385 | T | 29.4 | Very low | 28.6 | Very low | 138 Ų | 138 | 142.5 Ų | 142.5 | 85% | 0.847 | 79% | 0.791 | S | S | * | * | | | trans | -145.9 | 140.1 | 135.4 | -62.9 | 0 | 0 | 0 | 0 | 110.2 | | |
| 386 | T | 28.2 | Very low | 28.5 | Very low | 122 Ų | 122 | 143.1 Ų | 143.1 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | | | trans | -66.9 | 136.7 | -169.6 | 46.5 | 0 | 0 | 0 | 0 | 115.3 | | |
| 387 | G | 29.4 | Very low | 28.5 | Very low | 80 Ų | 80 | 138.9 Ų | 138.9 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | | | trans | -142.1 | 75.8 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 388 | T | 25.8 | Very low | 28.7 | Very low | 128 Ų | 128 | 138.5 Ų | 138.5 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | | | trans | -90 | 103.1 | -173 | -18.8 | 0 | 0 | 0 | 0 | 111.7 | | |
| 389 | Q | 29.8 | Very low | 28.7 | Very low | 196 Ų | 196 | 135.5 Ų | 135.5 | 92% | 0.916 | 79% | 0.785 | S | S | * | * | | | trans | -140.9 | 120.7 | 154.9 | -72.6 | -163.6 | -8 | 0 | 0 | 110.3 | | |
| 390 | T | 29.5 | Very low | 28.7 | Very low | 133 Ų | 133 | 137.9 Ų | 137.9 | 82% | 0.816 | 79% | 0.792 | S | S | * | * | | | trans | -85.1 | 155.2 | -179.6 | 12.4 | 0 | 0 | 0 | 0 | 111.8 | | |
| 391 | P | 28.2 | Very low | 28.7 | Very low | 123 Ų | 123 | 141.8 Ų | 141.8 | 80% | 0.799 | 80% | 0.799 | S | S | * | * | | | trans | -85 | 148.9 | -172.2 | 34 | -34.4 | 0 | 0 | 0 | 113 | | |
| 392 | M | 27.7 | Very low | 28.3 | Very low | 183 Ų | 183 | 138.3 Ų | 138.3 | 90% | 0.901 | 80% | 0.8 | S | S | * | * | | | trans | -110.3 | 142.2 | 167.6 | -93.4 | -82.8 | -84 | 0 | 0 | 111.1 | | |
| 393 | T | 29.7 | Very low | 28.5 | Very low | 121 Ų | 121 | 138 Ų | 138 | 74% | 0.742 | 81% | 0.807 | S | S | * | * | | | trans | -70.6 | 143.6 | -165.3 | 18 | 0 | 0 | 0 | 0 | 115.6 | | |
| 394 | T | 26.1 | Very low | 28.4 | Very low | 122 Ų | 122 | 137.1 Ų | 137.1 | 75% | 0.748 | 81% | 0.808 | S | S | * | * | | | trans | -11.6 | 124.5 | 151.8 | -36.9 | 0 | 0 | 0 | 0 | 116.8 | I396 | T394-I396 HydrophobicContact CG2-CG1 4.04Š|
| 395 | V | 31.8 | Very low | 28.6 | Very low | 130 Ų | 130 | 136.2 Ų | 136.2 | 79% | 0.788 | 80% | 0.802 | S | S | * | * | | | trans | -114.6 | 114.5 | 160.1 | -174 | 0 | 0 | 0 | 0 | 108.8 | | |
| 396 | I | 25.7 | Very low | 28.5 | Very low | 157 Ų | 157 | 135.3 Ų | 135.3 | 81% | 0.805 | 80% | 0.796 | S | S | * | * | | | trans | -88.4 | 123.2 | 174.4 | -64.5 | 168.4 | 0 | 0 | 0 | 107.8 | T394 | T394-I396 HydrophobicContact CG2-CG1 4.04Š|
| 397 | S | 28.4 | Very low | 28.5 | Very low | 88 Ų | 88 | 138.2 Ų | 138.2 | 62% | 0.615 | 81% | 0.806 | S | S | * | * | | | trans | -153.1 | 132.9 | 162.6 | 55.4 | 0 | 0 | 0 | 0 | 114.1 | | |
| 398 | Q | 31.9 | Very low | 28.3 | Very low | 179 Ų | 179 | 139.5 Ų | 139.5 | 84% | 0.836 | 80% | 0.803 | S | S | * | * | | | trans | 70.1 | 88.7 | 145.1 | -63.8 | 171.3 | 18.6 | 0 | 0 | 119.5 | L400 | Q398-L400 PolarHBondContact O-N 3.18Š|
| 399 | N | 25.5 | Very low | 28.4 | Very low | 166 Ų | 166 | 138.7 Ų | 138.7 | 89% | 0.888 | 80% | 0.802 | S | S | * | * | | | trans | -25.3 | 125.1 | 139.8 | -67.9 | -51.3 | 0 | 0 | 0 | 114.5 | | |
| 400 | L | 33.8 | Very low | 28.2 | Very low | 154 Ų | 154 | 137.4 Ų | 137.4 | 81% | 0.806 | 80% | 0.801 | S | S | * | * | | | trans | -126.5 | 103.7 | 152.6 | -86.1 | 170.1 | 0 | 0 | 0 | 110.1 | Q398 | Q398-L400 PolarHBondContact O-N 3.18Š|
| 401 | Q | 27.7 | Very low | 28 | Very low | 178 Ų | 178 | 134.9 Ų | 134.9 | 83% | 0.832 | 80% | 0.801 | S | S | * | * | | | trans | 32.6 | 101.2 | 150.9 | -71.1 | 163 | -53.7 | 0 | 0 | 119.2 | | |
| 402 | G | 25.6 | Very low | 27.8 | Very low | 80 Ų | 80 | 132.5 Ų | 132.5 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | | | | 70.5 | 67.6 | 104.1 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 403 | S | 29.7 | Very low | 27.7 | Very low | 122 Ų | 122 | 131.6 Ų | 131.6 | 85% | 0.853 | 80% | 0.798 | S | S | * | * | | | trans | -90 | 111.4 | 153.3 | -172.3 | 0 | 0 | 0 | 0 | 110.6 | | |
| 404 | L | 28.1 | Very low | 27.5 | Very low | 150 Ų | 150 | 129.1 Ų | 129.1 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | | | trans | -14.4 | 120.5 | 165.9 | -72.6 | 156.2 | 0 | 0 | 0 | 118.4 | | |
| 405 | T | 28.1 | Very low | 27.6 | Very low | 110 Ų | 110 | 131 Ų | 131 | 68% | 0.675 | 80% | 0.802 | S | S | * | * | | | trans | 45.8 | 103.1 | 134.1 | 55.8 | 0 | 0 | 0 | 0 | 120 | | |
| 406 | T | 27 | Very low | 27.4 | Very low | 120 Ų | 120 | 132.2 Ų | 132.2 | 74% | 0.736 | 80% | 0.804 | S | S | * | * | | | | 31.3 | 102.5 | 123.9 | 50.9 | 0 | 0 | 0 | 0 | 119 | | |
| 407 | L | 29.1 | Very low | 27.5 | Very low | 182 Ų | 182 | 132.3 Ų | 132.3 | 95% | 0.953 | 81% | 0.806 | S | S | * | * | | | trans | -123 | 89.5 | 135.7 | -84.8 | 175.4 | 0 | 0 | 0 | 109.5 | | |
| 408 | S | 25.1 | Very low | 27.6 | Very low | 108 Ų | 108 | 132.3 Ų | 132.3 | 76% | 0.755 | 81% | 0.811 | S | S | * | * | | | trans | -86.9 | 109.9 | 167.1 | 52.3 | 0 | 0 | 0 | 0 | 109.7 | | |
| 409 | S | 27.1 | Very low | 27.6 | Very low | 111 Ų | 111 | 129.7 Ų | 129.7 | 78% | 0.776 | 81% | 0.808 | S | S | * | * | | | trans | -157.4 | 113.2 | 150.8 | -161.3 | 0 | 0 | 0 | 0 | 112.6 | | |
| 410 | L | 26.6 | Very low | 27.9 | Very low | 168 Ų | 168 | 133 Ų | 133 | 88% | 0.88 | 81% | 0.808 | S | S | * | * | | | trans | 49.6 | 110 | 136.5 | -148 | 67.3 | 0 | 0 | 0 | 119.5 | | |
| 411 | G | 24.1 | Very low | 27.9 | Very low | 80 Ų | 80 | 136.1 Ų | 136.1 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | | | trans | -64.9 | 168.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 412 | G | 24.9 | Very low | 28.4 | Very low | 74 Ų | 74 | 135.1 Ų | 135.1 | 76% | 0.763 | 81% | 0.81 | S | S | * | * | | | trans | 177.4 | 108.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 413 | N | 25.3 | Very low | 28.8 | Very low | 164 Ų | 164 | 137 Ų | 137 | 88% | 0.877 | 80% | 0.801 | S | S | * | * | | | trans | 52.5 | 108.1 | 168.3 | -75.3 | -11.7 | 0 | 0 | 0 | 119 | | |
| 414 | G | 25.4 | Very low | 29.3 | Very low | 68 Ų | 68 | 140.3 Ų | 140.3 | 70% | 0.701 | 80% | 0.8 | S | S | * | * | | | trans | -68.9 | 135.2 | 160.7 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 415 | N | 28.9 | Very low | 29.7 | Very low | 161 Ų | 161 | 139 Ų | 139 | 86% | 0.861 | 79% | 0.794 | S | S | * | * | | | trans | -115.7 | 65.4 | 161.9 | -97.2 | -31.4 | 0 | 0 | 0 | 109 | N417 | N415-N417 PolarHBondContact O-N 3.03Š|
| 416 | N | 27.6 | Very low | 30.1 | Very low | 156 Ų | 156 | 139 Ų | 139 | 83% | 0.834 | 79% | 0.79 | S | S | * | * | | | trans | -75.8 | 101.9 | 167.9 | -73.6 | -21.7 | 0 | 0 | 0 | 108.7 | | |
| 417 | N | 28.5 | Very low | 30.7 | Very low | 160 Ų | 160 | 141.6 Ų | 141.6 | 86% | 0.856 | 79% | 0.793 | S | S | * | * | | | trans | -139.9 | 105.6 | 160.9 | -104.6 | -44.8 | 0 | 0 | 0 | 111.5 | N415 | N415-N417 PolarHBondContact O-N 3.03Š|
| 418 | A | 30.3 | Very low | 31.3 | Very low | 87 Ų | 87 | 141.1 Ų | 141.1 | 72% | 0.719 | 78% | 0.784 | S | S | * | * | | | trans | -37.5 | 132.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | R420 | A418-R420 PolarHBondContact O-N 2.91Š|
| 419 | T | 31.3 | Very low | 32 | Very low | 124 Ų | 124 | 141.1 Ų | 141.1 | 76% | 0.761 | 78% | 0.781 | S | S | * | * | | | trans | -50.6 | 104.5 | 156.3 | 42.6 | 0 | 0 | 0 | 0 | 110.3 | Y421 | T419-Y421 PolarHBondContact O-N 3.38Š|
| 420 | R | 32.5 | Very low | 32.6 | Very low | 236 Ų | 236 | 141.7 Ų | 141.7 | 89% | 0.891 | 78% | 0.782 | S | S | * | * | | | trans | -71.3 | 112.3 | 171.1 | -63.3 | -173.4 | -165.9 | -164.2 | 3.8 | 108.9 | A418 L422 | A418-R420 PolarHBondContact O-N 2.91Å; R420-L422 PolarHBondContact O-N 3.33Å; R420-L422 VanDerWaalsContact O-N 3.16Å |
| 421 | Y | 33.7 | Very low | 33.1 | Very low | 219 Ų | 219 | 144.9 Ų | 144.9 | 86% | 0.859 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -59 | 116 | 167.4 | -79 | -95.9 | 0 | 0 | 0 | 109.3 | T419 N423 | T419-Y421 PolarHBondContact O-N 3.38Å; Y421-N423 PolarHBondContact O-N 3.44Å |
| 422 | L | 37.4 | Very low | 34 | Very low | 157 Ų | 157 | 146.6 Ų | 146.6 | 82% | 0.822 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 124.3 | 175.8 | -75.1 | 165.8 | 0 | 0 | 0 | 109.6 | R420 | R420-L422 PolarHBondContact O-N 3.33Å; R420-L422 VanDerWaalsContact O-N 3.16Å |
| 423 | N | 33.3 | Very low | 34.7 | Very low | 120 Ų | 120 | 151 Ų | 151 | 64% | 0.642 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 136 | -178 | -166.1 | -8.2 | 0 | 0 | 0 | 110.1 | Y421 N425 | Y421-N423 PolarHBondContact O-N 3.44Å; N423-N425 PolarHBondContact O-N 2.91Å |
| 424 | K | 41.2 | Very low | 35.3 | Very low | 191 Ų | 191 | 150.4 Ų | 150.4 | 83% | 0.83 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.4 | 13.3 | -166.5 | -71.8 | -174.8 | 175.4 | 179 | 0 | 115.8 | | |
| 425 | N | 35.6 | Very low | 35.8 | Very low | 123 Ų | 123 | 151.3 Ų | 151.3 | 66% | 0.658 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.2 | -7.7 | -171.4 | -71 | -14.7 | 0 | 0 | 0 | 114.9 | N423 H427 | N423-N425 PolarHBondContact O-N 2.91Å; N425-H427 VanDerWaalsContact C-N 3.29Å; N425-H427 PolarHBondContact O-N 2.97Å; N425-H427 PolarHBondContact O-ND1 3.08Å |
| 426 | D | 38.3 | Very low | 36.2 | Very low | 111 Ų | 111 | 152.8 Ų | 152.8 | 59% | 0.594 | 78% | 0.779 | S | S | * | * | | | trans | -74.6 | 78.7 | 179 | -69.3 | -20.3 | 0 | 0 | 0 | 112 | F428 | D426-F428 VanDerWaalsContact C-N 3.27Å; D426-F428 HydrophobicContact CB-CD2 4.18Å; D426-F428 HydrophobicContact CB-CE2 3.8Å; D426-F428 WeakPolarHBondContact O-CD2 3.46Å; D426-F428 PolarHBondContact O-N 3Å |
| 427 | H | 39.5 | Very low | 36.7 | Very low | 173 Ų | 173 | 150.3 Ų | 150.3 | 80% | 0.801 | 77% | 0.771 | S | S | * | * | | | trans | -70.4 | 81.9 | 168.4 | -76.8 | 71.3 | 0 | 0 | 0 | 109.9 | N425 | N425-H427 VanDerWaalsContact C-N 3.29Å; N425-H427 PolarHBondContact O-N 2.97Å; N425-H427 PolarHBondContact O-ND1 3.08Å |
| 428 | F | 41 | Very low | 36.9 | Very low | 172 Ų | 172 | 147.1 Ų | 147.1 | 75% | 0.754 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 130.6 | 169.2 | -75.6 | -81.8 | 0 | 0 | 0 | 110.2 | D426 | D426-F428 VanDerWaalsContact C-N 3.27Å; D426-F428 HydrophobicContact CB-CD2 4.18Å; D426-F428 HydrophobicContact CB-CE2 3.8Å; D426-F428 WeakPolarHBondContact O-CD2 3.46Å; D426-F428 PolarHBondContact O-N 3Å |
| 429 | P | 40 | Very low | 37 | Very low | 108 Ų | 108 | 151.9 Ų | 151.9 | 70% | 0.701 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 145 | 174.3 | 26.5 | -33.5 | 0 | 0 | 0 | 110.2 | R431 | P429-R431 PolarHBondContact O-N 3.15Š|
| 430 | P | 40.2 | Very low | 37.1 | Very low | 124 Ų | 124 | 153.5 Ų | 153.5 | 81% | 0.805 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -61 | 129.3 | -174.4 | 23.9 | -33.7 | 0 | 0 | 0 | 111.3 | | |
| 431 | R | 36.4 | Very low | 37.1 | Very low | 234 Ų | 234 | 147.5 Ų | 147.5 | 88% | 0.883 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 137.4 | 174.2 | -87.6 | -171.7 | 173.3 | -150.6 | -0.6 | 110.2 | P429 I433 | P429-R431 PolarHBondContact O-N 3.15Å; R431-I433 PolarHBondContact O-N 3.27Å |
| 432 | P | 42.1 | Very low | 37.2 | Very low | 117 Ų | 117 | 146.3 Ų | 146.3 | 76% | 0.76 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -57 | 129.3 | 170.4 | -23.3 | 33.5 | 0 | 0 | 0 | 110.9 | I434 | P432-I434 PolarHBondContact O-N 3.26Å; P432-I434 VanDerWaalsContact O-N 3.07Å |
| 433 | I | 40.9 | Very low | 36.8 | Very low | 167 Ų | 167 | 146.8 Ų | 146.8 | 86% | 0.856 | 76% | 0.756 | S | S | * | * | | | trans | -72.2 | 102.2 | 172.3 | -59.2 | 173.4 | 0 | 0 | 0 | 107.2 | R431 A435 | R431-I433 PolarHBondContact O-N 3.27Å; I433-A435 PolarHBondContact O-N 3.21Å |
| 434 | I | 37.7 | Very low | 36.6 | Very low | 151 Ų | 151 | 148.4 Ų | 148.4 | 77% | 0.774 | 76% | 0.764 | S | S | * | * | | | trans | -71.5 | 100.9 | 170.6 | -57.3 | 175.6 | 0 | 0 | 0 | 107 | P432 K436 | P432-I434 PolarHBondContact O-N 3.26Å; P432-I434 VanDerWaalsContact O-N 3.07Å; I434-K436 PolarHBondContact O-N 3.2Å; I434-K436 VanDerWaalsContact O-N 3.16Å |
| 435 | A | 36.4 | Very low | 36.3 | Very low | 86 Ų | 86 | 145.5 Ų | 145.5 | 71% | 0.711 | 76% | 0.762 | S | S | * | * | | | trans | -62.5 | 114.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | I433 | I433-A435 PolarHBondContact O-N 3.21Š|
| 436 | K | 36.6 | Very low | 36.1 | Very low | 193 Ų | 193 | 146.3 Ų | 146.3 | 84% | 0.839 | 77% | 0.767 | S | S | * | * | | | trans | -67.4 | 131.2 | 173.4 | -72.3 | -178.4 | 176.2 | 179.6 | 0 | 109.1 | I434 S438 | I434-K436 PolarHBondContact O-N 3.2Å; I434-K436 VanDerWaalsContact O-N 3.16Å; K436-S438 PolarHBondContact O-N 2.86Å |
| 437 | P | 37.3 | Very low | 35.7 | Very low | 103 Ų | 103 | 150 Ų | 150 | 67% | 0.669 | 78% | 0.781 | S | S | * | * | | | trans | -65.8 | 124.6 | 174.7 | 26.5 | -32.7 | 0 | 0 | 0 | 109.9 | F439 | P437-F439 HydrophobicContact CG-CE2 4.31Å; P437-F439 PolarHBondContact O-N 3.05Å |
| 438 | S | 32.9 | Very low | 35.5 | Very low | 93 Ų | 93 | 148.6 Ų | 148.6 | 65% | 0.65 | 78% | 0.784 | S | S | * | * | | | trans | -80.4 | 114 | 173.6 | -174.8 | 0 | 0 | 0 | 0 | 109.8 | K436 H440 | K436-S438 PolarHBondContact O-N 2.86Å; S438-H440 PolarHBondContact O-N 3.4Å |
| 439 | F | 33.4 | Very low | 35 | Very low | 187 Ų | 187 | 147.2 Ų | 147.2 | 82% | 0.82 | 78% | 0.784 | S | S | * | * | | | trans | -81.6 | 97.1 | 169.9 | -71.1 | -89.2 | 0 | 0 | 0 | 109.4 | P437 | P437-F439 HydrophobicContact CG-CE2 4.31Å; P437-F439 PolarHBondContact O-N 3.05Å |
| 440 | H | 33.4 | Very low | 34.4 | Very low | 159 Ų | 159 | 150.5 Ų | 150.5 | 74% | 0.736 | 79% | 0.792 | S | S | * | * | | | trans | -114 | 90.1 | 163.9 | -75.1 | -12.1 | 0 | 0 | 0 | 109.5 | S438 K442 | S438-H440 PolarHBondContact O-N 3.4Å; H440-K442 PolarHBondContact O-N 3.44Å; H440-K442 VanDerWaalsContact O-N 3.12Å |
| 441 | S | 32.7 | Very low | 33.9 | Very low | 109 Ų | 109 | 153 Ų | 153 | 76% | 0.762 | 79% | 0.793 | S | S | * | * | | | trans | -60.4 | 107.1 | 159.2 | -179.6 | 0 | 0 | 0 | 0 | 107.8 | | |
| 442 | K | 34.3 | Very low | 33.5 | Very low | 194 Ų | 194 | 152.1 Ų | 152.1 | 84% | 0.843 | 79% | 0.79 | S | S | * | * | | | trans | -84.5 | 114.4 | 167.3 | -80.4 | -169 | 171.8 | -172.2 | 0 | 107.8 | H440 | H440-K442 PolarHBondContact O-N 3.44Å; H440-K442 VanDerWaalsContact O-N 3.12Å |
| 443 | H | 30.4 | Very low | 33.1 | Very low | 168 Ų | 168 | 153.5 Ų | 153.5 | 78% | 0.778 | 79% | 0.791 | S | S | * | * | | | trans | -56.3 | 143.4 | 175.1 | -110.7 | -103.8 | 0 | 0 | 0 | 111.3 | T445 | H443-T445 PolarHBondContact O-N 3.29Š|
| 444 | N | 27.4 | Very low | 32.6 | Very low | 153 Ų | 153 | 152.2 Ų | 152.2 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | | | trans | -63 | 129.6 | 163.1 | -76.8 | -19.5 | 0 | 0 | 0 | 109.2 | | |
| 445 | T | 35.6 | Very low | 32.5 | Very low | 130 Ų | 130 | 153.5 Ų | 153.5 | 80% | 0.798 | 79% | 0.789 | S | S | * | * | | | trans | -134.8 | 96.7 | 162.2 | -4.8 | 0 | 0 | 0 | 0 | 109.1 | H443 | H443-T445 PolarHBondContact O-N 3.29Š|
| 446 | N | 32.8 | Very low | 32.4 | Very low | 141 Ų | 141 | 156.8 Ų | 156.8 | 75% | 0.754 | 79% | 0.789 | S | S | * | * | | | trans | 18.8 | 115.2 | 149.5 | -53.1 | -4.2 | 0 | 0 | 0 | 118.4 | V448 | N446-V448 PolarHBondContact O-N 3.33Š|
| 447 | E | 29.1 | Very low | 32.4 | Very low | 189 Ų | 189 | 154.9 Ų | 154.9 | 88% | 0.883 | 78% | 0.783 | S | S | * | * | | | | 15.7 | 104.7 | 123.9 | -60.1 | 177.2 | 168.3 | 0 | 0 | 117.1 | | |
| 448 | V | 35.1 | Very low | 32.4 | Very low | 143 Ų | 143 | 159.9 Ų | 159.9 | 87% | 0.867 | 79% | 0.794 | S | S | * | * | | | trans | -132.2 | 133 | 144.2 | -177.2 | 0 | 0 | 0 | 0 | 107.9 | N446 | N446-V448 PolarHBondContact O-N 3.33Š|
| 449 | N | 29.5 | Very low | 32.6 | Very low | 142 Ų | 142 | 165.4 Ų | 165.4 | 76% | 0.759 | 80% | 0.802 | S | S | * | * | | | trans | -87.3 | 154.4 | -171.2 | -87.6 | -52.8 | 0 | 0 | 0 | 113.2 | | |
| 450 | M | 27.8 | Very low | 32.5 | Very low | 177 Ų | 177 | 159.5 Ų | 159.5 | 87% | 0.872 | 79% | 0.794 | S | S | * | * | | | trans | 51.8 | 101.1 | 145.5 | -61.7 | -82.2 | -161.2 | 0 | 0 | 118.1 | | |
| 451 | E | 30.7 | Very low | 32.5 | Very low | 177 Ų | 177 | 161.7 Ų | 161.7 | 83% | 0.827 | 80% | 0.796 | S | S | * | * | | | trans | -137.3 | 122.7 | 141.4 | -160.5 | 161.7 | -140.4 | 0 | 0 | 109.9 | | |
| 452 | R | 26.7 | Very low | 32.8 | Very low | 216 Ų | 216 | 161.2 Ų | 161.2 | 82% | 0.815 | 79% | 0.788 | S | S | * | * | | | trans | -81.1 | 127.6 | 172.6 | -71.7 | -178.8 | -176.7 | 164.6 | -0.6 | 108.1 | | |
| 453 | N | 34.6 | Very low | 32.8 | Very low | 145 Ų | 145 | 161.5 Ų | 161.5 | 78% | 0.775 | 79% | 0.786 | S | S | * | * | | | trans | -132.2 | 94.1 | 158.1 | -81.2 | -55.7 | 0 | 0 | 0 | 108.2 | E455 | N453-E455 PolarHBondContact O-N 3.36Š|
| 454 | D | 31.2 | Very low | 33.1 | Very low | 140 Ų | 140 | 163.2 Ų | 163.2 | 75% | 0.749 | 79% | 0.787 | S | S | * | * | | | trans | -78.8 | 100.4 | 170.9 | -69 | -62.9 | 0 | 0 | 0 | 108.8 | | |
| 455 | E | 35.2 | Very low | 33.6 | Very low | 179 Ų | 179 | 163.2 Ų | 163.2 | 84% | 0.836 | 79% | 0.785 | S | S | * | * | | | trans | -151.1 | 104.6 | 164.6 | -122.9 | 168.3 | -137.3 | 0 | 0 | 115.6 | N453 | N453-E455 PolarHBondContact O-N 3.36Š|
| 456 | H | 33.9 | Very low | 33.5 | Very low | 154 Ų | 154 | 161.2 Ų | 161.2 | 71% | 0.713 | 78% | 0.782 | S | S | * | * | | | trans | 49.6 | 97 | 138.3 | -69.3 | -86.1 | 0 | 0 | 0 | 121.7 | | |
| 457 | H | 36.9 | Very low | 33.4 | Very low | 153 Ų | 153 | 165.4 Ų | 165.4 | 71% | 0.708 | 79% | 0.787 | S | S | * | * | | | | 42.6 | 98.1 | 126.7 | -49.5 | -35.4 | 0 | 0 | 0 | 120 | | |
| 458 | K | 37.8 | Very low | 33.5 | Very low | 209 Ų | 209 | 167.6 Ų | 167.6 | 91% | 0.909 | 79% | 0.787 | S | S | * | * | | | trans | -124.6 | 129.8 | 140.6 | -107.4 | 175.8 | -177.7 | 169.5 | 0 | 111.2 | G460 | K458-G460 VanDerWaalsContact C-N 3.27Å; K458-G460 PolarHBondContact O-N 2.96Å |
| 459 | Y | 36 | Very low | 33.5 | Very low | 208 Ų | 208 | 165.7 Ų | 165.7 | 82% | 0.816 | 78% | 0.778 | S | S | * | * | | | trans | -71.1 | 67.8 | -169.4 | -70.1 | -92.8 | 0 | 0 | 0 | 114.1 | R461 | Y459-R461 PolarHBondContact O-N 2.95Å; Y459-R461 VanDerWaalsContact O-N 3.11Å |
| 460 | G | 32.1 | Very low | 33.6 | Very low | 63 Ų | 63 | 168.2 Ų | 168.2 | 65% | 0.649 | 79% | 0.785 | S | S | * | * | | | trans | -76.8 | 81.8 | 164.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | K458 T462 | K458-G460 VanDerWaalsContact C-N 3.27Å; K458-G460 PolarHBondContact O-N 2.96Å; G460-T462 VanDerWaalsContact C-N 3.26Å; G460-T462 PolarHBondContact O-N 3.46Å; G460-T462 PolarHBondContact O-OG1 3.27Å |
| 461 | R | 33.1 | Very low | 34 | Very low | 205 Ų | 205 | 166.1 Ų | 166.1 | 77% | 0.774 | 78% | 0.776 | S | S | * | * | | | trans | -67.2 | 84.5 | 171.4 | -79.4 | -173.3 | 176.4 | 175.6 | 0.7 | 110.4 | Y459 Y463 | Y459-R461 PolarHBondContact O-N 2.95Å; Y459-R461 VanDerWaalsContact O-N 3.11Å; R461-Y463 PolarHBondContact O-N 3.38Å |
| 462 | T | 38.2 | Very low | 33.9 | Very low | 100 Ų | 100 | 161.9 Ų | 161.9 | 61% | 0.613 | 77% | 0.771 | S | S | * | * | | | trans | -73.3 | 111.1 | 173.1 | -47.9 | 0 | 0 | 0 | 0 | 109.3 | G460 Y464 | G460-T462 VanDerWaalsContact C-N 3.26Å; G460-T462 PolarHBondContact O-N 3.46Å; G460-T462 PolarHBondContact O-OG1 3.27Å; T462-Y464 HydrophobicContact CG2-CE2 4.47Å; T462-Y464 WeakPolarHBondContact O-CD2 3.48Å; T462-Y464 PolarHBondContact O-N 3.45Å |
| 463 | Y | 34.4 | Very low | 34.2 | Very low | 200 Ų | 200 | 158.7 Ų | 158.7 | 78% | 0.784 | 77% | 0.766 | S | S | * | * | | | trans | -70.8 | 95.9 | 175.7 | -69.2 | -88.2 | 0 | 0 | 0 | 110.5 | R461 I465 | R461-Y463 PolarHBondContact O-N 3.38Å; Y463-I465 PolarHBondContact O-N 3.44Å |
| 464 | Y | 36.1 | Very low | 34.1 | Very low | 204 Ų | 204 | 156.4 Ų | 156.4 | 80% | 0.8 | 76% | 0.761 | S | S | * | * | | | trans | -70 | 98.1 | 166.2 | -67 | -81.3 | 0 | 0 | 0 | 109.4 | T462 A466 | T462-Y464 HydrophobicContact CG2-CE2 4.47Å; T462-Y464 WeakPolarHBondContact O-CD2 3.48Å; T462-Y464 PolarHBondContact O-N 3.45Å; Y464-A466 PolarHBondContact O-N 2.91Å |
| 465 | I | 38.4 | Very low | 34 | Very low | 152 Ų | 152 | 155.8 Ų | 155.8 | 78% | 0.779 | 76% | 0.758 | S | S | * | * | | | trans | -68.2 | 88.6 | 160.4 | -58.5 | 177.3 | 0 | 0 | 0 | 106.5 | Y463 R467 | Y463-I465 PolarHBondContact O-N 3.44Å; I465-R467 VanDerWaalsContact C-N 3.31Å; I465-R467 PolarHBondContact O-N 3.2Å |
| 466 | A | 33.4 | Very low | 33.6 | Very low | 89 Ų | 89 | 155.6 Ų | 155.6 | 74% | 0.736 | 76% | 0.756 | S | S | * | * | | | trans | -62.7 | 93.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | Y464 R468 | Y464-A466 PolarHBondContact O-N 2.91Å; A466-R468 PolarHBondContact O-N 2.99Å |
| 467 | R | 31 | Very low | 33.5 | Very low | 228 Ų | 228 | 155.8 Ų | 155.8 | 86% | 0.86 | 76% | 0.757 | S | S | * | * | | | trans | -62.4 | 101.6 | 169.1 | -59.1 | -174 | -164.5 | -175.4 | 6.5 | 106.7 | I465 P469 | I465-R467 VanDerWaalsContact C-N 3.31Å; I465-R467 PolarHBondContact O-N 3.2Å; R467-P469 WeakPolarHBondContact O-CD 3.34Å; R467-P469 VanDerWaalsContact O-N 3.14Å |
| 468 | R | 31.7 | Very low | 33.2 | Very low | 235 Ų | 235 | 158.1 Ų | 158.1 | 89% | 0.887 | 77% | 0.765 | S | S | * | * | | | trans | -55.8 | 121.5 | 166.4 | -90 | -173.9 | 171.5 | 175 | -2.1 | 107.1 | A466 Q470 | A466-R468 PolarHBondContact O-N 2.99Å; R468-Q470 PolarHBondContact O-N 2.94Å |
| 469 | P | 34.3 | Very low | 33 | Very low | 103 Ų | 103 | 157.5 Ų | 157.5 | 67% | 0.669 | 76% | 0.759 | S | S | * | * | | | trans | -61.3 | 134.7 | 176.8 | 24.5 | -32.2 | 0 | 0 | 0 | 108.7 | R467 I471 | R467-P469 WeakPolarHBondContact O-CD 3.34Å; R467-P469 VanDerWaalsContact O-N 3.14Å; P469-I471 HydrophobicContact CG-CG1 4.49Å; P469-I471 PolarHBondContact O-N 3.35Å |
| 470 | Q | 32.6 | Very low | 32.8 | Very low | 196 Ų | 196 | 155 Ų | 155 | 92% | 0.916 | 76% | 0.759 | S | S | * | * | | | trans | -68.8 | 84.4 | 166.9 | -75.7 | -178.8 | -39.4 | 0 | 0 | 108.3 | R468 A472 | R468-Q470 PolarHBondContact O-N 2.94Å; Q470-A472 VanDerWaalsContact C-N 3.34Å; Q470-A472 PolarHBondContact O-N 3.45Å; Q470-A472 VanDerWaalsContact O-N 3.08Å |
| 471 | I | 34.9 | Very low | 32.7 | Very low | 132 Ų | 132 | 157.4 Ų | 157.4 | 68% | 0.677 | 76% | 0.763 | S | S | * | * | | | trans | -73.1 | 99.5 | 161.8 | -59.2 | 178.9 | 0 | 0 | 0 | 105.6 | P469 Q473 | P469-I471 HydrophobicContact CG-CG1 4.49Å; P469-I471 PolarHBondContact O-N 3.35Å; I471-Q473 VanDerWaalsContact C-N 3.3Å; I471-Q473 HydrophobicContact CG2-CG 4.24Å; I471-Q473 PolarHBondContact O-N 2.99Å |
| 472 | A | 29.4 | Very low | 32.6 | Very low | 88 Ų | 88 | 156.3 Ų | 156.3 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | | | trans | -64.4 | 92.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | Q470 S474 | Q470-A472 VanDerWaalsContact C-N 3.34Å; Q470-A472 PolarHBondContact O-N 3.45Å; Q470-A472 VanDerWaalsContact O-N 3.08Å; A472-S474 PolarHBondContact O-N 3.05Å |
| 473 | Q | 33.8 | Very low | 32.2 | Very low | 150 Ų | 150 | 156.2 Ų | 156.2 | 70% | 0.701 | 78% | 0.776 | S | S | * | * | | | trans | -73.9 | 83.5 | 166.9 | -73.5 | -159.7 | -11.5 | 0 | 0 | 109 | I471 N475 | I471-Q473 VanDerWaalsContact C-N 3.3Å; I471-Q473 HydrophobicContact CG2-CG 4.24Å; I471-Q473 PolarHBondContact O-N 2.99Å; Q473-N475 PolarHBondContact O-N 2.94Å; Q473-N475 PolarHBondContact OE1-ND2 2.81Å |
| 474 | S | 30.9 | Very low | 32 | Very low | 96 Ų | 96 | 154.1 Ų | 154.1 | 67% | 0.671 | 78% | 0.777 | S | S | * | * | | | trans | -68.5 | 66.9 | 162.7 | 57 | 0 | 0 | 0 | 0 | 109.7 | A472 H476 | A472-S474 PolarHBondContact O-N 3.05Å; S474-H476 PolarHBondContact O-N 3.49Å |
| 475 | N | 29.5 | Very low | 31.6 | Very low | 128 Ų | 128 | 150.8 Ų | 150.8 | 68% | 0.684 | 77% | 0.773 | S | S | * | * | | | trans | -75.5 | 99.8 | 173.7 | -75.3 | -18.5 | 0 | 0 | 0 | 108.3 | Q473 Q477 | Q473-N475 PolarHBondContact O-N 2.94Å; Q473-N475 PolarHBondContact OE1-ND2 2.81Å; N475-Q477 PolarHBondContact O-N 2.83Å |
| 476 | H | 27.9 | Very low | 31.3 | Very low | 174 Ų | 174 | 151.8 Ų | 151.8 | 81% | 0.806 | 77% | 0.774 | S | S | * | * | | | trans | -36.4 | 127.7 | 177.7 | -66.7 | -98.4 | 0 | 0 | 0 | 113.2 | S474 K478 | S474-H476 PolarHBondContact O-N 3.49Å; H476-K478 PolarHBondContact O-N 3.11Å |
| 477 | Q | 30.9 | Very low | 31 | Very low | 158 Ų | 158 | 154.8 Ų | 154.8 | 74% | 0.738 | 78% | 0.778 | S | S | * | * | | | trans | -58.7 | 111.2 | 160.2 | -76.5 | 172.5 | -42.7 | 0 | 0 | 108.4 | N475 Y479 | N475-Q477 PolarHBondContact O-N 2.83Å; Q477-Y479 VanDerWaalsContact C-N 3.25Å; Q477-Y479 HydrophobicContact CB-CD2 4.08Å; Q477-Y479 HydrophobicContact CB-CE2 4.16Å; Q477-Y479 PolarHBondContact O-N 2.99Å |
| 478 | K | 31.2 | Very low | 30.8 | Very low | 202 Ų | 202 | 153.9 Ų | 153.9 | 88% | 0.878 | 78% | 0.775 | S | S | * | * | | | trans | -68.8 | 92.4 | 158.2 | -84.2 | -173.9 | 173.4 | -178.8 | 0 | 107.5 | H476 L480 | H476-K478 PolarHBondContact O-N 3.11Å; K478-L480 PolarHBondContact O-N 2.88Å; K478-L480 VanDerWaalsContact O-N 3.09Å |
| 479 | Y | 32.3 | Very low | 30.6 | Very low | 196 Ų | 196 | 149.9 Ų | 149.9 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | | | trans | -58 | 108.9 | 162.7 | -87.9 | -100.2 | 0 | 0 | 0 | 108.5 | Q477 | Q477-Y479 VanDerWaalsContact C-N 3.25Å; Q477-Y479 HydrophobicContact CB-CD2 4.08Å; Q477-Y479 HydrophobicContact CB-CE2 4.16Å; Q477-Y479 PolarHBondContact O-N 2.99Å |
| 480 | L | 31.7 | Very low | 30.3 | Very low | 155 Ų | 155 | 150.8 Ų | 150.8 | 81% | 0.812 | 77% | 0.769 | S | S | * | * | | | trans | -88.2 | 124.7 | 155.3 | -90.3 | 150.7 | 0 | 0 | 0 | 106.5 | K478 | K478-L480 PolarHBondContact O-N 2.88Å; K478-L480 VanDerWaalsContact O-N 3.09Å |
| 481 | P | 32.1 | Very low | 30 | Very low | 114 Ų | 114 | 146 Ų | 146 | 74% | 0.74 | 76% | 0.757 | S | S | * | * | | | trans | -70.7 | 142 | -169.8 | 27.5 | -34.4 | 0 | 0 | 0 | 111.8 | A483 | P481-A483 PolarHBondContact O-N 2.95Å; P481-A483 VanDerWaalsContact O-N 3.11Å |
| 482 | H | 30 | Very low | 29.8 | Very low | 182 Ų | 182 | 148.6 Ų | 148.6 | 84% | 0.843 | 76% | 0.764 | S | S | * | * | | | trans | -64 | 110.2 | 166.4 | -71.5 | -89.1 | 0 | 0 | 0 | 109.4 | L484 | H482-L484 PolarHBondContact O-N 3.41Š|
| 483 | A | 30 | Very low | 29.7 | Very low | 98 Ų | 98 | 150.5 Ų | 150.5 | 81% | 0.81 | 76% | 0.762 | S | S | * | * | | | trans | -74.3 | 79.3 | 164.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | P481 N485 | P481-A483 PolarHBondContact O-N 2.95Å; P481-A483 VanDerWaalsContact O-N 3.11Å; A483-N485 PolarHBondContact O-N 2.91Å |
| 484 | L | 29.8 | Very low | 29.4 | Very low | 157 Ų | 157 | 150 Ų | 150 | 82% | 0.822 | 76% | 0.764 | S | S | * | * | | | trans | -69 | 107.7 | 161.4 | -84.9 | 165 | 0 | 0 | 0 | 108 | H482 | H482-L484 PolarHBondContact O-N 3.41Š|
| 485 | N | 28.9 | Very low | 29.3 | Very low | 133 Ų | 133 | 152.1 Ų | 152.1 | 71% | 0.711 | 77% | 0.767 | S | S | * | * | | | trans | -156.3 | 109.8 | 163.3 | -96.1 | -38.3 | 0 | 0 | 0 | 108.3 | A483 | A483-N485 PolarHBondContact O-N 2.91Š|
| 486 | H | 31 | Very low | 29.3 | Very low | 174 Ų | 174 | 157.2 Ų | 157.2 | 81% | 0.806 | 78% | 0.778 | S | S | * | * | | | | -179.5 | 85.8 | 125.9 | -87.3 | -46.4 | 0 | 0 | 0 | 109.1 | R488 | H486-R488 PolarHBondContact O-N 3.36Å; H486-R488 VanDerWaalsContact O-N 3.16Å |
| 487 | D | 27.2 | Very low | 29.2 | Very low | 151 Ų | 151 | 155.5 Ų | 155.5 | 81% | 0.807 | 78% | 0.775 | S | S | * | * | | | trans | -57.3 | 114.7 | 154.6 | -65.4 | -54.2 | 0 | 0 | 0 | 108.4 | | |
| 488 | R | 26.6 | Very low | 29.1 | Very low | 210 Ų | 210 | 152.9 Ų | 152.9 | 79% | 0.792 | 78% | 0.78 | S | S | * | * | | | trans | -113.9 | 88 | 159.7 | -83 | -162.8 | 177.5 | -160.4 | 1.5 | 109.2 | H486 L490 | H486-R488 PolarHBondContact O-N 3.36Å; H486-R488 VanDerWaalsContact O-N 3.16Å; R488-L490 PolarHBondContact O-N 2.87Å; R488-L490 VanDerWaalsContact O-N 3.07Å |
| 489 | N | 27.6 | Very low | 28.9 | Very low | 151 Ų | 151 | 148.8 Ų | 148.8 | 81% | 0.807 | 77% | 0.768 | S | S | * | * | | | trans | -54.5 | 109.1 | 156.1 | -74.1 | -39.9 | 0 | 0 | 0 | 108.8 | | |
| 490 | L | 29.2 | Very low | 28.7 | Very low | 122 Ų | 122 | 145.3 Ų | 145.3 | 64% | 0.639 | 77% | 0.767 | S | S | * | * | | | trans | -118.8 | 63.7 | 166.5 | -89 | 158.4 | 0 | 0 | 0 | 108.6 | R488 F492 | R488-L490 PolarHBondContact O-N 2.87Å; R488-L490 VanDerWaalsContact O-N 3.07Å; L490-F492 VanDerWaalsContact C-N 3.31Å; L490-F492 HydrophobicContact CD2-CD2 4.17Å; L490-F492 HydrophobicContact CD2-CE2 3.61Å; L490-F492 HydrophobicContact CD2-CZ 4.31Å; L490-F492 PolarHBondContact O-N 2.84Å; L490-F492 VanDerWaalsContact O-N 3.08Å |
| 491 | S | 26 | Very low | 28.5 | Very low | 94 Ų | 94 | 145.8 Ų | 145.8 | 66% | 0.657 | 77% | 0.769 | S | S | * | * | | | trans | -76.5 | 80.8 | 169.6 | 56.4 | 0 | 0 | 0 | 0 | 110 | N493 | S491-N493 PolarHBondContact O-N 3.02Š|
| 492 | F | 29.5 | Very low | 28.3 | Very low | 188 Ų | 188 | 146.3 Ų | 146.3 | 83% | 0.825 | 77% | 0.765 | S | S | * | * | | | trans | -76.9 | 77.4 | 162.4 | -79.8 | -66.8 | 0 | 0 | 0 | 109.6 | L490 N494 | L490-F492 VanDerWaalsContact C-N 3.31Å; L490-F492 HydrophobicContact CD2-CD2 4.17Å; L490-F492 HydrophobicContact CD2-CE2 3.61Å; L490-F492 HydrophobicContact CD2-CZ 4.31Å; L490-F492 PolarHBondContact O-N 2.84Å; L490-F492 VanDerWaalsContact O-N 3.08Å; F492-N494 PolarHBondContact O-N 3.42Å |
| 493 | N | 27.2 | Very low | 28.1 | Very low | 128 Ų | 128 | 145.5 Ų | 145.5 | 68% | 0.684 | 77% | 0.767 | S | S | * | * | | | trans | -80.1 | 108.3 | 167.7 | -88.1 | -21.1 | 0 | 0 | 0 | 109.9 | S491 | S491-N493 PolarHBondContact O-N 3.02Š|
| 494 | N | 27.7 | Very low | 28.1 | Very low | 139 Ų | 139 | 147.9 Ų | 147.9 | 74% | 0.743 | 77% | 0.766 | S | S | * | * | | | trans | 62.4 | 169.8 | 139 | -57.6 | -21.7 | 0 | 0 | 0 | 120.3 | F492 | F492-N494 PolarHBondContact O-N 3.42Š|
| 495 | I | 29.7 | Very low | 27.8 | Very low | 141 Ų | 141 | 146.9 Ų | 146.9 | 72% | 0.723 | 77% | 0.767 | S | S | * | * | | | trans | 80.1 | 78.3 | 171 | -43.7 | 163.1 | 0 | 0 | 0 | 114.8 | | |
| 496 | Y | 29.8 | Very low | 27.8 | Very low | 234 Ų | 234 | 147.5 Ų | 147.5 | 92% | 0.918 | 77% | 0.77 | S | S | * | * | | | | -140.1 | 76.9 | 126 | -85.6 | -66.8 | 0 | 0 | 0 | 109.4 | A498 | Y496-A498 VanDerWaalsContact C-N 3.28Å; Y496-A498 PolarHBondContact O-N 3.22Å |
| 497 | D | 25.6 | Very low | 27.6 | Very low | 139 Ų | 139 | 145.3 Ų | 145.3 | 74% | 0.743 | 77% | 0.769 | S | S | * | * | | | trans | -69.8 | 87.7 | 161.7 | -99.1 | -26.7 | 0 | 0 | 0 | 108.4 | N499 | D497-N499 PolarHBondContact O-N 3.06Š|
| 498 | A | 28.3 | Very low | 27.7 | Very low | 103 Ų | 103 | 142.1 Ų | 142.1 | 85% | 0.851 | 76% | 0.764 | S | S | * | * | | | trans | -76.1 | 66.2 | 168.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | Y496 T500 | Y496-A498 VanDerWaalsContact C-N 3.28Å; Y496-A498 PolarHBondContact O-N 3.22Å; A498-T500 PolarHBondContact O-N 3.4Å |
| 499 | N | 26.9 | Very low | 27.9 | Very low | 115 Ų | 115 | 139.5 Ų | 139.5 | 62% | 0.615 | 77% | 0.765 | S | S | * | * | | | trans | -64.8 | 121.2 | 177.9 | -85.7 | -50.5 | 0 | 0 | 0 | 111.1 | D497 | D497-N499 PolarHBondContact O-N 3.06Š|
| 500 | T | 27.1 | Very low | 27.8 | Very low | 124 Ų | 124 | 140.8 Ų | 140.8 | 76% | 0.761 | 77% | 0.766 | S | S | * | * | | | trans | 51 | 87 | 146.6 | 58.2 | 0 | 0 | 0 | 0 | 117.3 | A498 | A498-T500 PolarHBondContact O-N 3.4Š|
| 501 | L | 28.2 | Very low | 27.9 | Very low | 164 Ų | 164 | 141.3 Ų | 141.3 | 86% | 0.859 | 77% | 0.77 | S | S | * | * | | | trans | -112.8 | 92.6 | 152.3 | -157.7 | 77.7 | 0 | 0 | 0 | 110.9 | | |
| 502 | I | 29 | Very low | 28.2 | Very low | 125 Ų | 125 | 147.1 Ų | 147.1 | 64% | 0.641 | 78% | 0.783 | S | S | * | * | | | trans | 42.2 | 111.6 | 139.6 | -54.5 | 171.3 | 0 | 0 | 0 | 117.3 | N504 | I502-N504 PolarHBondContact O-N 3.28Š|
| 503 | N | 25.1 | Very low | 28.1 | Very low | 165 Ų | 165 | 145 Ų | 145 | 88% | 0.882 | 78% | 0.781 | S | S | * | * | | | trans | -59.7 | 118.6 | 158 | -67.1 | -29.1 | 0 | 0 | 0 | 110.1 | | |
| 504 | N | 29.4 | Very low | 28.2 | Very low | 149 Ų | 149 | 146.7 Ų | 146.7 | 80% | 0.797 | 78% | 0.782 | S | S | * | * | | | trans | -116.1 | 106.5 | 155.6 | -82.5 | -16.8 | 0 | 0 | 0 | 108.5 | I502 D506 | I502-N504 PolarHBondContact O-N 3.28Å; N504-D506 PolarHBondContact O-N 2.96Å |
| 505 | T | 23.9 | Very low | 28.2 | Very low | 136 Ų | 136 | 146.8 Ų | 146.8 | 83% | 0.834 | 79% | 0.788 | S | S | * | * | | | trans | -58.5 | 121.7 | 157.5 | 33.3 | 0 | 0 | 0 | 0 | 109.7 | | |
| 506 | D | 29.3 | Very low | 28 | Very low | 145 Ų | 145 | 145.9 Ų | 145.9 | 78% | 0.775 | 78% | 0.784 | S | S | * | * | | | trans | -156.7 | 119.3 | 130.2 | -123.1 | -34.2 | 0 | 0 | 0 | 113.9 | N504 | N504-D506 PolarHBondContact O-N 2.96Š|
| 507 | T | 26.9 | Very low | 27.9 | Very low | 128 Ų | 128 | 144.6 Ų | 144.6 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | | | trans | 9.5 | 116.2 | 139.7 | -27.8 | 0 | 0 | 0 | 0 | 119.6 | | |
| 508 | A | 27.9 | Very low | 27.9 | Very low | 85 Ų | 85 | 143.6 Ų | 143.6 | 70% | 0.702 | 78% | 0.783 | S | S | * | * | | | | 178.6 | 158.9 | 129.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 509 | D | 31.2 | Very low | 27.9 | Very low | 155 Ų | 155 | 146.4 Ų | 146.4 | 83% | 0.829 | 78% | 0.782 | S | S | * | * | | | trans | 65.8 | 93.8 | 157.4 | -57.9 | -14.9 | 0 | 0 | 0 | 120.1 | | |
| 510 | H | 27 | Very low | 27.8 | Very low | 177 Ų | 177 | 145.7 Ų | 145.7 | 82% | 0.819 | 79% | 0.786 | S | S | * | * | | | trans | -30.9 | 157.5 | 148.4 | -63.3 | -88.6 | 0 | 0 | 0 | 116.9 | | |
| 511 | D | 30.6 | Very low | 27.8 | Very low | 134 Ų | 134 | 148.7 Ų | 148.7 | 72% | 0.717 | 79% | 0.788 | S | S | * | * | | | trans | 97.9 | 88.2 | 163.4 | -62.2 | -16.1 | 0 | 0 | 0 | 117 | | |
| 512 | F | 31.9 | Very low | 27.8 | Very low | 216 Ų | 216 | 151.1 Ų | 151.1 | 95% | 0.947 | 79% | 0.792 | S | S | * | * | | | | -155.2 | 125.2 | 109.1 | -110.4 | -74.2 | 0 | 0 | 0 | 111.4 | | |
| 513 | N | 28.4 | Very low | 27.5 | Very low | 143 Ų | 143 | 151.8 Ų | 151.8 | 77% | 0.765 | 80% | 0.795 | S | S | * | * | | | trans | -73.3 | 142.3 | -173.5 | -88.1 | -59.3 | 0 | 0 | 0 | 113.8 | | |
| 514 | F | 27.8 | Very low | 27.4 | Very low | 164 Ų | 164 | 151 Ų | 151 | 72% | 0.719 | 79% | 0.791 | S | S | * | * | | | trans | -19.2 | 133 | 164 | -86.7 | -119.4 | 0 | 0 | 0 | 117.3 | N516 | F514-N516 VanDerWaalsContact CE1-ND2 3.35Å; F514-N516 WeakPolarHBondContact CE1-ND2 3.48Å |
| 515 | T | 27.5 | Very low | 27.2 | Very low | 141 Ų | 141 | 155.7 Ų | 155.7 | 87% | 0.865 | 80% | 0.798 | S | S | * | * | | | trans | -144.1 | 93.8 | 131.6 | -26.9 | 0 | 0 | 0 | 0 | 110.9 | K517 | T515-K517 PolarHBondContact O-N 3.35Š|
| 516 | N | 26.2 | Very low | 27.1 | Very low | 121 Ų | 121 | 157.7 Ų | 157.7 | 65% | 0.647 | 80% | 0.8 | S | S | * | * | | | trans | -63.8 | 122.3 | 176.3 | -83.4 | -34.2 | 0 | 0 | 0 | 111 | F514 T518 | F514-N516 VanDerWaalsContact CE1-ND2 3.35Å; F514-N516 WeakPolarHBondContact CE1-ND2 3.48Å; N516-T518 PolarHBondContact O-N 3.13Å |
| 517 | K | 27.6 | Very low | 26.9 | Very low | 208 Ų | 208 | 155.2 Ų | 155.2 | 90% | 0.904 | 79% | 0.794 | S | S | * | * | | | trans | -66.5 | 104.5 | 163.7 | -90.3 | -178.7 | 174.4 | 174.5 | 0 | 109.1 | T515 I519 | T515-K517 PolarHBondContact O-N 3.35Å; K517-I519 PolarHBondContact O-N 3.1Å |
| 518 | T | 25.9 | Very low | 26.9 | Very low | 118 Ų | 118 | 156.7 Ų | 156.7 | 72% | 0.724 | 80% | 0.797 | S | S | * | * | | | trans | -57.7 | 116.4 | -176.9 | -49.3 | 0 | 0 | 0 | 0 | 112.2 | N516 S520 | N516-T518 PolarHBondContact O-N 3.13Å; T518-S520 VanDerWaalsContact C-N 3.33Å; T518-S520 PolarHBondContact O-N 2.78Å |
| 519 | I | 27.9 | Very low | 26.9 | Very low | 161 Ų | 161 | 161.8 Ų | 161.8 | 83% | 0.826 | 80% | 0.804 | S | S | * | * | | | trans | -78.3 | 83.3 | 170.6 | -57.5 | 171.4 | 0 | 0 | 0 | 108.5 | K517 K521 | K517-I519 PolarHBondContact O-N 3.1Å; I519-K521 PolarHBondContact O-N 2.74Å |
| 520 | S | 26 | Very low | 26.9 | Very low | 101 Ų | 101 | 163.1 Ų | 163.1 | 71% | 0.706 | 81% | 0.81 | S | S | * | * | | | trans | -85.7 | 92.8 | 177.7 | 43.4 | 0 | 0 | 0 | 0 | 111.4 | T518 K522 | T518-S520 VanDerWaalsContact C-N 3.33Å; T518-S520 PolarHBondContact O-N 2.78Å; S520-K522 PolarHBondContact O-N 2.95Å |
| 521 | K | 25.3 | Very low | 26.7 | Very low | 186 Ų | 186 | 163.5 Ų | 163.5 | 81% | 0.809 | 81% | 0.809 | S | S | * | * | | | trans | -52.3 | 134.7 | 166.1 | -70.1 | 174.9 | 176.3 | 174.1 | 0 | 110.2 | I519 | I519-K521 PolarHBondContact O-N 2.74Š|
| 522 | K | 28.4 | Very low | 26.5 | Very low | 215 Ų | 215 | 162.2 Ų | 162.2 | 94% | 0.935 | 81% | 0.808 | S | S | * | * | | | trans | -132.5 | 129.9 | 157.6 | -121.7 | 176 | -175.4 | 173.7 | 0 | 110.7 | S520 | S520-K522 PolarHBondContact O-N 2.95Š|
| 523 | I | 23.2 | Very low | 26.1 | Very low | 139 Ų | 139 | 160.2 Ų | 160.2 | 71% | 0.713 | 81% | 0.807 | S | S | * | * | | | trans | -104.9 | 141.4 | -171.9 | -70.2 | 170.1 | 0 | 0 | 0 | 109.3 | | |
| 524 | N | 24.1 | Very low | 25.8 | Very low | 148 Ų | 148 | 157.1 Ų | 157.1 | 79% | 0.791 | 80% | 0.796 | S | S | * | * | | | trans | 30.6 | 122.8 | 159.8 | -56.7 | -14.4 | 0 | 0 | 0 | 120.3 | | |
| 525 | R | 25.2 | Very low | 25.7 | Very low | 249 Ų | 249 | 160.2 Ų | 160.2 | 94% | 0.94 | 81% | 0.805 | S | S | * | * | | | trans | -131.3 | 123.7 | 138 | -77.9 | -171.1 | 173.5 | 170.4 | -2.8 | 110.2 | | |
| 526 | M | 20.5 | Very low | 25.7 | Very low | 178 Ų | 178 | 161.8 Ų | 161.8 | 88% | 0.877 | 81% | 0.807 | S | S | * | * | | | trans | -94.1 | 171 | 159.8 | -77.8 | -176.9 | 70.3 | 0 | 0 | 109.6 | | |
| 527 | S | 24.6 | Very low | 25.5 | Very low | 93 Ų | 93 | 161 Ų | 161 | 65% | 0.65 | 81% | 0.811 | S | S | * | * | | | trans | 78.7 | 125.6 | 178.1 | -46.4 | 0 | 0 | 0 | 0 | 112.5 | | |
| 528 | D | 27.8 | Very low | 25.4 | Very low | 158 Ų | 158 | 159 Ų | 159 | 85% | 0.845 | 81% | 0.811 | S | S | * | * | | | | -137 | 153.5 | 60.5 | -78.7 | -41.7 | 0 | 0 | 0 | 117 | L530 | D528-L530 PolarHBondContact O-N 2.82Š|
| 529 | F | 27.9 | Very low | 25.3 | Very low | 193 Ų | 193 | 158.4 Ų | 158.4 | 85% | 0.846 | 81% | 0.811 | S | S | * | * | | | trans | -77.9 | 114.8 | 179 | -83 | -107 | 0 | 0 | 0 | 112.2 | K531 | F529-K531 PolarHBondContact O-N 3.24Š|
| 530 | L | 30.3 | Very low | 25.2 | Very low | 183 Ų | 183 | 157.4 Ų | 157.4 | 96% | 0.958 | 81% | 0.813 | S | S | * | * | | | trans | -73.9 | 84.5 | 166.2 | -74.9 | 167.7 | 0 | 0 | 0 | 111.6 | D528 | D528-L530 PolarHBondContact O-N 2.82Š|
| 531 | K | 24.6 | Very low | 25.1 | Very low | 185 Ų | 185 | 160 Ų | 160 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | | | trans | -81.2 | 148.9 | 145.4 | -85.3 | 178.8 | 176.2 | 176.1 | 0 | 107.7 | F529 | F529-K531 PolarHBondContact O-N 3.24Š|
| 532 | P | 26.3 | Very low | 25.2 | Very low | 107 Ų | 107 | 156.1 Ų | 156.1 | 70% | 0.695 | 82% | 0.82 | S | S | * | * | | | cis | -136.3 | 145.7 | 36.6 | 36.7 | -18.4 | 0 | 0 | 0 | 117 | | |
| 533 | N | 21.9 | Very low | 25 | Very low | 173 Ų | 173 | 150.5 Ų | 150.5 | 93% | 0.925 | 81% | 0.808 | S | S | * | * | | | trans | -93.4 | 109.1 | 157.7 | -78.2 | -36.3 | 0 | 0 | 0 | 108.6 | | |
| 534 | S | 23.7 | Very low | 25 | Very low | 78 Ų | 78 | 153 Ų | 153 | 55% | 0.545 | 81% | 0.81 | S | S | . | * | | | trans | -158.3 | 38.3 | 179 | 67.9 | 0 | 0 | 0 | 0 | 116.5 | | |
| 535 | Y | 24.9 | Very low | 25.2 | Very low | 229 Ų | 229 | 155.1 Ų | 155.1 | 90% | 0.898 | 82% | 0.815 | S | S | * | * | | | trans | -138.3 | 70.8 | 165.8 | -67.8 | -69.5 | 0 | 0 | 0 | 111.9 | | |
| 536 | L | 27 | Very low | 25.1 | Very low | 174 Ų | 174 | 152.1 Ų | 152.1 | 91% | 0.911 | 80% | 0.804 | S | S | * | * | | | trans | -107.6 | 89.7 | 161.9 | -87.1 | 170.3 | 0 | 0 | 0 | 108.9 | | |
| 537 | S | 22.4 | Very low | 25.3 | Very low | 105 Ų | 105 | 151 Ų | 151 | 73% | 0.734 | 80% | 0.802 | S | S | * | * | | | trans | 166.7 | 105.8 | 150.9 | 38.7 | 0 | 0 | 0 | 0 | 111 | | |
| 538 | N | 26.7 | Very low | 25.4 | Very low | 167 Ų | 167 | 152.2 Ų | 152.2 | 89% | 0.893 | 81% | 0.809 | S | S | * | * | | | | -170.6 | 149.1 | 116.8 | -93.7 | -21.7 | 0 | 0 | 0 | 110.5 | | |
| 539 | S | 22 | Very low | 25.4 | Very low | 104 Ų | 104 | 149.8 Ų | 149.8 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | | | trans | -82.8 | 154 | -162.3 | 46.9 | 0 | 0 | 0 | 0 | 113.9 | L541 | S539-L541 PolarHBondContact O-N 3.11Š|
| 540 | T | 26.7 | Very low | 25.4 | Very low | 141 Ų | 141 | 145.7 Ų | 145.7 | 87% | 0.865 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -64.5 | 91.8 | 164.9 | 48.7 | 0 | 0 | 0 | 0 | 110.9 | | |
| 541 | L | 24.3 | Very low | 25.3 | Very low | 156 Ų | 156 | 143.4 Ų | 143.4 | 82% | 0.817 | 79% | 0.788 | S | S | * | * | | | trans | -152.2 | 37.2 | 164.5 | -140.1 | 78.3 | 0 | 0 | 0 | 114.6 | S539 S543 | S539-L541 PolarHBondContact O-N 3.11Å; L541-S543 VanDerWaalsContact C-N 3.34Å; L541-S543 PolarHBondContact O-N 2.93Å |
| 542 | A | 27.3 | Very low | 25.4 | Very low | 103 Ų | 103 | 142 Ų | 142 | 85% | 0.851 | 79% | 0.79 | S | S | * | * | | | trans | -70.5 | 96 | 157.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | Y544 | A542-Y544 PolarHBondContact O-N 3.02Š|
| 543 | S | 24.6 | Very low | 25.5 | Very low | 97 Ų | 97 | 142.3 Ų | 142.3 | 68% | 0.678 | 80% | 0.795 | S | S | * | * | | | trans | -44.7 | 127.8 | 170.5 | 43.7 | 0 | 0 | 0 | 0 | 111.3 | L541 | L541-S543 VanDerWaalsContact C-N 3.34Å; L541-S543 PolarHBondContact O-N 2.93Å |
| 544 | Y | 21.4 | Very low | 25.8 | Very low | 191 Ų | 191 | 140.9 Ų | 140.9 | 75% | 0.749 | 79% | 0.786 | S | S | * | * | | | | 44.5 | 67.3 | 77.5 | -90.2 | -75.7 | 0 | 0 | 0 | 113.5 | A542 R546 | A542-Y544 PolarHBondContact O-N 3.02Å; Y544-R546 HydrophobicContact CD1-CG 3.97Å |
| 545 | E | 28.7 | Very low | 26.3 | Very low | 193 Ų | 193 | 141.7 Ų | 141.7 | 90% | 0.902 | 79% | 0.789 | S | S | * | * | | | trans | -72.7 | 130.7 | 144.7 | -73.6 | -170.9 | 139.8 | 0 | 0 | 108.7 | | |
| 546 | R | 24.5 | Very low | 26.4 | Very low | 186 Ų | 186 | 138.8 Ų | 138.8 | 70% | 0.702 | 79% | 0.79 | S | S | * | * | | | trans | -124.1 | 132.9 | 171.1 | -68.4 | -170.7 | -167.9 | 171.8 | 5.2 | 109.3 | Y544 | Y544-R546 HydrophobicContact CD1-CG 3.97Š|
| 547 | N | 24.4 | Very low | 26.6 | Very low | 156 Ų | 156 | 139.1 Ų | 139.1 | 83% | 0.834 | 79% | 0.786 | S | S | * | * | | | trans | 61.6 | 97.1 | 147.5 | -53.5 | -4.5 | 0 | 0 | 0 | 118 | | |
| 548 | S | 26.6 | Very low | 27 | Very low | 117 Ų | 117 | 141.9 Ų | 141.9 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | | | trans | -133.2 | 95.5 | 141.8 | 50 | 0 | 0 | 0 | 0 | 109.7 | S550 | S548-S550 PolarHBondContact O-N 3.06Š|
| 549 | S | 28.1 | Very low | 27.1 | Very low | 107 Ų | 107 | 136.7 Ų | 136.7 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | | | trans | -77.2 | 106.9 | 172.8 | 47.9 | 0 | 0 | 0 | 0 | 110.4 | L551 | S549-L551 PolarHBondContact O-N 3.42Š|
| 550 | S | 28 | Very low | 27.4 | Very low | 108 Ų | 108 | 138 Ų | 138 | 76% | 0.755 | 79% | 0.786 | S | S | * | * | | | trans | -94 | 74.2 | 166.5 | 47.5 | 0 | 0 | 0 | 0 | 110.9 | S548 N552 | S548-S550 PolarHBondContact O-N 3.06Å; S550-N552 PolarHBondContact O-N 3.16Å |
| 551 | L | 27.5 | Very low | 27.4 | Very low | 134 Ų | 134 | 139.4 Ų | 139.4 | 70% | 0.702 | 79% | 0.788 | S | S | * | * | | | trans | -76.5 | 62.2 | 169.9 | -75.3 | 169.2 | 0 | 0 | 0 | 111.1 | S549 | S549-L551 PolarHBondContact O-N 3.42Š|
| 552 | N | 27 | Very low | 27.6 | Very low | 157 Ų | 157 | 137.4 Ų | 137.4 | 84% | 0.84 | 78% | 0.784 | S | S | * | * | | | trans | -110.8 | 48.4 | 175.7 | -82.1 | 3 | 0 | 0 | 0 | 111.5 | S550 | S550-N552 PolarHBondContact O-N 3.16Š|
| 553 | S | 27.7 | Very low | 27.8 | Very low | 113 Ų | 113 | 138.5 Ų | 138.5 | 79% | 0.79 | 79% | 0.785 | S | S | * | * | | | trans | -168.5 | 58.6 | 168.4 | 44 | 0 | 0 | 0 | 0 | 112.9 | | |
| 554 | L | 28.5 | Very low | 27.9 | Very low | 142 Ų | 142 | 141.1 Ų | 141.1 | 74% | 0.743 | 79% | 0.791 | S | S | * | * | | | trans | -134.1 | 150.7 | 159 | -73.6 | 173.1 | 0 | 0 | 0 | 108.1 | | |
| 555 | P | 33.4 | Very low | 28.1 | Very low | 95 Ų | 95 | 138.6 Ų | 138.6 | 62% | 0.617 | 79% | 0.789 | S | S | * | * | | | cis | -126.7 | 149.1 | -28.4 | 36.6 | -22.7 | 0 | 0 | 0 | 111.7 | E557 | P555-E557 PolarHBondContact O-N 3.05Š|
| 556 | N | 28.5 | Very low | 28.2 | Very low | 169 Ų | 169 | 139 Ų | 139 | 90% | 0.904 | 79% | 0.791 | S | S | * | * | | | trans | -82.6 | 107.6 | 165 | -88.1 | 5.4 | 0 | 0 | 0 | 109.4 | I558 | N556-I558 PolarHBondContact O-N 3.12Š|
| 557 | E | 31.1 | Very low | 28.3 | Very low | 180 Ų | 180 | 134.3 Ų | 134.3 | 84% | 0.841 | 79% | 0.786 | S | S | * | * | | | trans | -71.6 | 102.2 | 178.2 | -63.5 | -179.1 | 148 | 0 | 0 | 111.6 | P555 | P555-E557 PolarHBondContact O-N 3.05Š|
| 558 | I | 30.8 | Very low | 28.4 | Very low | 163 Ų | 163 | 134.2 Ų | 134.2 | 84% | 0.836 | 78% | 0.781 | S | S | * | * | | | trans | -133.2 | 110.4 | 149.3 | -53.3 | 176.6 | 0 | 0 | 0 | 103.1 | N556 | N556-I558 PolarHBondContact O-N 3.12Š|
| 559 | G | 27.7 | Very low | 28.2 | Very low | 58 Ų | 58 | 137.3 Ų | 137.3 | 60% | 0.598 | 78% | 0.776 | S | S | * | * | | | cis | 105.1 | 125.9 | 42.9 | 0 | 0 | 0 | 0 | 0 | 106.8 | | |
| 560 | S | 28.8 | Very low | 28.1 | Very low | 131 Ų | 131 | 142.2 Ų | 142.2 | 92% | 0.916 | 78% | 0.78 | S | S | * | * | | | trans | 74 | 110.8 | -172.3 | 68.5 | 0 | 0 | 0 | 0 | 117.8 | | |
| 561 | L | 26.3 | Very low | 28.1 | Very low | 172 Ų | 172 | 144.4 Ų | 144.4 | 90% | 0.901 | 78% | 0.783 | S | S | * | * | | | trans | -80.3 | 168.2 | 164.5 | -89 | 161 | 0 | 0 | 0 | 110.5 | | |
| 562 | P | 28.4 | Very low | 28.3 | Very low | 113 Ų | 113 | 144.3 Ų | 144.3 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | | | trans | -84.2 | 145.6 | -155.7 | 32.6 | -37.1 | 0 | 0 | 0 | 115.3 | L564 | P562-L564 PolarHBondContact O-N 2.99Š|
| 563 | S | 30.9 | Very low | 28.4 | Very low | 126 Ų | 126 | 144.6 Ų | 144.6 | 88% | 0.881 | 79% | 0.785 | S | S | * | * | | | trans | -73.9 | 107.6 | 163.8 | 44.1 | 0 | 0 | 0 | 0 | 110.9 | | |
| 564 | L | 27.2 | Very low | 28.5 | Very low | 152 Ų | 152 | 147.4 Ų | 147.4 | 80% | 0.796 | 79% | 0.785 | S | S | * | * | | | trans | -78.6 | 142.1 | 168.4 | -160.9 | 80.9 | 0 | 0 | 0 | 109.4 | P562 | P562-L564 PolarHBondContact O-N 2.99Š|
| 565 | I | 26.9 | Very low | 28.4 | Very low | 138 Ų | 138 | 151.7 Ų | 151.7 | 71% | 0.708 | 79% | 0.791 | S | S | * | * | | | trans | 64.8 | 97.7 | 169.2 | -34.2 | -175.9 | 0 | 0 | 0 | 116.4 | | |
| 566 | Q | 28.9 | Very low | 28.1 | Very low | 201 Ų | 201 | 154.8 Ų | 154.8 | 94% | 0.939 | 80% | 0.801 | S | S | * | * | | | | -131.1 | 119.1 | 123.7 | -80 | -164.1 | -27.9 | 0 | 0 | 109.2 | | |
| 567 | S | 27.3 | Very low | 28 | Very low | 88 Ų | 88 | 152.9 Ų | 152.9 | 62% | 0.615 | 79% | 0.791 | S | S | * | * | | | trans | -76.6 | 169.7 | 161.8 | 42.4 | 0 | 0 | 0 | 0 | 110.4 | | |
| 568 | E | 26.3 | Very low | 27.9 | Very low | 154 Ų | 154 | 149.4 Ų | 149.4 | 72% | 0.72 | 79% | 0.786 | S | S | * | * | | | trans | 86.2 | 145.1 | 151.9 | -91.3 | 166.8 | -141.6 | 0 | 0 | 120.7 | | |
| 569 | Y | 23.9 | Very low | 27.6 | Very low | 183 Ų | 183 | 147.5 Ų | 147.5 | 72% | 0.718 | 78% | 0.778 | S | S | * | * | | | trans | 63 | 100.6 | 174 | -61.2 | -73.1 | 0 | 0 | 0 | 120.4 | N571 | Y569-N571 PolarHBondContact O-N 3.2Š|
| 570 | Y | 25.7 | Very low | 27.5 | Very low | 209 Ų | 209 | 153 Ų | 153 | 82% | 0.82 | 79% | 0.787 | S | S | * | * | | | | 4.5 | 107.9 | 120.8 | -98.2 | -104.5 | 0 | 0 | 0 | 114.5 | | |
| 571 | N | 28.1 | Very low | 27.3 | Very low | 155 Ų | 155 | 151.1 Ų | 151.1 | 83% | 0.829 | 78% | 0.775 | S | S | * | * | | | trans | -100.6 | 109.7 | 156.4 | -73.7 | -69.1 | 0 | 0 | 0 | 106.9 | Y569 | Y569-N571 PolarHBondContact O-N 3.2Š|
| 572 | D | 30 | Very low | 27.5 | Very low | 131 Ų | 131 | 149.7 Ų | 149.7 | 70% | 0.701 | 77% | 0.768 | S | S | * | * | | | trans | -65.9 | 138.2 | 170 | -78 | -46.2 | 0 | 0 | 0 | 110.3 | H574 | D572-H574 PolarHBondContact O-N 3.09Š|
| 573 | D | 29.2 | Very low | 27.4 | Very low | 163 Ų | 163 | 152.9 Ų | 152.9 | 87% | 0.872 | 77% | 0.77 | S | S | * | * | | | trans | -66.2 | 85.8 | -174.4 | -73.6 | -60.4 | 0 | 0 | 0 | 113.1 | | |
| 574 | H | 31.5 | Very low | 27.3 | Very low | 173 Ų | 173 | 153.2 Ų | 153.2 | 80% | 0.801 | 77% | 0.767 | S | S | * | * | | | trans | -128.8 | 120.5 | 173.5 | -82 | -6.9 | 0 | 0 | 0 | 114.8 | D572 | D572-H574 PolarHBondContact O-N 3.09Š|
| 575 | R | 25.8 | Very low | 27.3 | Very low | 232 Ų | 232 | 152 Ų | 152 | 88% | 0.875 | 77% | 0.765 | S | S | * | * | | | trans | 79.9 | 84.9 | 160.8 | -61.7 | -179.8 | 174.1 | -176.4 | -3 | 118.3 | | |
| 576 | I | 27.8 | Very low | 27.4 | Very low | 159 Ų | 159 | 150 Ų | 150 | 82% | 0.815 | 77% | 0.769 | S | S | * | * | | | | 11.6 | 112.6 | 116.4 | -51.3 | 173.2 | 0 | 0 | 0 | 114.1 | | |
| 577 | N | 26 | Very low | 27.1 | Very low | 129 Ų | 129 | 147.4 Ų | 147.4 | 69% | 0.69 | 76% | 0.762 | S | S | * | * | | | trans | -125.1 | 88.5 | 162.7 | -174.1 | 7.4 | 0 | 0 | 0 | 109.2 | | |
| 578 | S | 27.8 | Very low | 27.1 | Very low | 107 Ų | 107 | 154.8 Ų | 154.8 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | | | trans | -96 | 87.8 | 175.1 | 57.4 | 0 | 0 | 0 | 0 | 109.9 | | |
| 579 | N | 25.1 | Very low | 27.1 | Very low | 124 Ų | 124 | 152.6 Ų | 152.6 | 66% | 0.663 | 78% | 0.778 | S | S | * | * | | | trans | -81.5 | 141.1 | 174.7 | -86.2 | -29.5 | 0 | 0 | 0 | 111.9 | | |
| 580 | H | 25 | Very low | 27.2 | Very low | 172 Ų | 172 | 151.7 Ų | 151.7 | 80% | 0.796 | 78% | 0.784 | S | S | * | * | | | trans | 51.3 | 100.1 | 166.6 | -76.9 | -55.9 | 0 | 0 | 0 | 117 | | |
| 581 | S | 24.5 | Very low | 27.3 | Very low | 93 Ų | 93 | 150 Ų | 150 | 65% | 0.65 | 78% | 0.781 | S | S | * | * | | | | 65.9 | 98.7 | 76.6 | 81.4 | 0 | 0 | 0 | 0 | 113.7 | | |
| 582 | D | 30.8 | Very low | 27.5 | Very low | 142 Ų | 142 | 149.9 Ų | 149.9 | 76% | 0.759 | 78% | 0.78 | S | S | * | * | | | trans | -136.3 | 151 | 147.2 | -117.2 | -36.4 | 0 | 0 | 0 | 111.4 | | |
| 583 | K | 26.6 | Very low | 27.3 | Very low | 180 Ų | 180 | 150.1 Ų | 150.1 | 78% | 0.783 | 78% | 0.782 | S | S | * | * | | | trans | -52.1 | 151.6 | -179.4 | -55.9 | 121.7 | -176.2 | 166.7 | 0 | 110.2 | | |
| 584 | V | 29.1 | Very low | 27.3 | Very low | 132 Ų | 132 | 153.4 Ų | 153.4 | 80% | 0.8 | 78% | 0.783 | S | S | * | * | | | | -154.5 | 142.9 | 59.7 | 163.3 | 0 | 0 | 0 | 0 | 111.6 | A586 | V584-A586 PolarHBondContact O-N 2.9Š|
| 585 | V | 26.8 | Very low | 26.9 | Very low | 126 Ų | 126 | 151.1 Ų | 151.1 | 76% | 0.764 | 79% | 0.787 | S | S | * | * | | | trans | -72.9 | 110.3 | 172.4 | 176.2 | 0 | 0 | 0 | 0 | 110.2 | | |
| 586 | A | 29.6 | Very low | 27.1 | Very low | 97 Ų | 97 | 145.1 Ų | 145.1 | 80% | 0.802 | 78% | 0.778 | S | S | * | * | | | trans | -103.4 | 102.1 | 164.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | V584 R588 | V584-A586 PolarHBondContact O-N 2.9Å; A586-R588 PolarHBondContact O-N 3.35Å |
| 587 | N | 23.5 | Very low | 27.2 | Very low | 146 Ų | 146 | 144.2 Ų | 144.2 | 78% | 0.781 | 77% | 0.773 | S | S | * | * | | | trans | -60.9 | 125 | 176.8 | -90.1 | -36.4 | 0 | 0 | 0 | 111.8 | | |
| 588 | R | 26.7 | Very low | 27.3 | Very low | 244 Ų | 244 | 149.3 Ų | 149.3 | 92% | 0.921 | 79% | 0.785 | S | S | * | * | | | trans | -171.2 | 133.3 | 132.9 | -104.6 | 157.3 | -164.6 | -115.8 | 2.2 | 114.2 | A586 | A586-R588 PolarHBondContact O-N 3.35Š|
| 589 | S | 25.8 | Very low | 27.4 | Very low | 107 Ų | 107 | 153.9 Ų | 153.9 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | | | trans | 62 | 97.9 | 153.3 | -150.8 | 0 | 0 | 0 | 0 | 119.1 | | |
| 590 | I | 26.7 | Very low | 28 | Very low | 164 Ų | 164 | 152.9 Ų | 152.9 | 84% | 0.841 | 79% | 0.787 | S | S | * | * | | | trans | -98.5 | 96.7 | 165.7 | -60 | 162.1 | 0 | 0 | 0 | 108.4 | | |
| 591 | F | 27.6 | Very low | 28 | Very low | 175 Ų | 175 | 152 Ų | 152 | 77% | 0.768 | 79% | 0.788 | S | S | * | * | | | trans | -165.5 | 129.9 | 162.2 | -80.3 | -70.8 | 0 | 0 | 0 | 104 | | |
| 592 | D | 31.8 | Very low | 28.2 | Very low | 151 Ų | 151 | 153.4 Ų | 153.4 | 81% | 0.807 | 79% | 0.789 | S | S | * | * | | | cis | -134.5 | 155.6 | 27.6 | -73.6 | -58.2 | 0 | 0 | 0 | 114.9 | | |
| 593 | N | 26.1 | Very low | 28.1 | Very low | 137 Ų | 137 | 154.6 Ų | 154.6 | 73% | 0.733 | 79% | 0.79 | S | S | * | * | | | trans | -76.6 | 157.4 | 166.9 | -62.9 | -69.7 | 0 | 0 | 0 | 110.9 | | |
| 594 | Y | 28.2 | Very low | 28.4 | Very low | 231 Ų | 231 | 152.3 Ų | 152.3 | 91% | 0.906 | 79% | 0.791 | S | S | * | * | | | trans | 161.8 | 103 | 132.3 | -87.8 | -61.8 | 0 | 0 | 0 | 111.9 | | |
| 595 | S | 24.4 | Very low | 28.3 | Very low | 126 Ų | 126 | 152.7 Ų | 152.7 | 88% | 0.881 | 79% | 0.788 | S | S | * | * | | | trans | -162.4 | 112 | 154.9 | -151.7 | 0 | 0 | 0 | 0 | 112 | | |
| 596 | P | 29.7 | Very low | 28.4 | Very low | 106 Ų | 106 | 158.1 Ų | 158.1 | 69% | 0.688 | 80% | 0.796 | S | S | * | * | | | trans | -109.6 | 125.7 | 179.8 | 35.3 | -26.8 | 0 | 0 | 0 | 114.7 | | |
| 597 | I | 28.9 | Very low | 28.2 | Very low | 139 Ų | 139 | 158.3 Ų | 158.3 | 71% | 0.713 | 79% | 0.787 | S | S | * | * | | | trans | 48.5 | 117.4 | 132.1 | -48.7 | 170.4 | 0 | 0 | 0 | 119 | Y599 | I597-Y599 HydrophobicContact CG2-CD2 4.16Š|
| 598 | Y | 28.3 | Very low | 28.5 | Very low | 236 Ų | 236 | 156.4 Ų | 156.4 | 93% | 0.925 | 79% | 0.792 | S | S | * | * | | | trans | -140.1 | 138.1 | 146.9 | -121 | -94.3 | 0 | 0 | 0 | 110.7 | | |
| 599 | Y | 29.3 | Very low | 28.5 | Very low | 203 Ų | 203 | 155 Ų | 155 | 80% | 0.796 | 79% | 0.787 | S | S | * | * | | | trans | -129 | -167.6 | -178.2 | -100.3 | -84.1 | 0 | 0 | 0 | 108.2 | I597 | I597-Y599 HydrophobicContact CG2-CD2 4.16Š|
| 600 | P | 38.3 | Very low | 28.5 | Very low | 104 Ų | 104 | 161.4 Ų | 161.4 | 68% | 0.675 | 80% | 0.795 | S | S | * | * | | | | -120.5 | 167.3 | -88.7 | 32.7 | -12.6 | 0 | 0 | 0 | 115.2 | | |
| 601 | N | 25.7 | Very low | 28.5 | Very low | 152 Ų | 152 | 160 Ų | 160 | 81% | 0.813 | 79% | 0.789 | S | S | * | * | | | trans | -177.5 | 160.4 | 162 | -95.7 | -41.7 | 0 | 0 | 0 | 110 | | |
| 602 | N | 28.1 | Very low | 28.7 | Very low | 124 Ų | 124 | 161.1 Ų | 161.1 | 66% | 0.663 | 79% | 0.794 | S | S | * | * | | | cis | -168.7 | 163.3 | -35.9 | -143.5 | -47.3 | 0 | 0 | 0 | 110 | | |
| 603 | Q | 29.4 | Very low | 28.7 | Very low | 167 Ų | 167 | 159.4 Ų | 159.4 | 78% | 0.78 | 79% | 0.791 | S | S | * | * | | | trans | 63.4 | 152.8 | 167 | -58.9 | 168.3 | 18 | 0 | 0 | 115.4 | | |
| 604 | T | 32.4 | Very low | 28.8 | Very low | 131 Ų | 131 | 160.3 Ų | 160.3 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | | | cis | -153.1 | 160.9 | 6 | -10.3 | 0 | 0 | 0 | 0 | 110.4 | | |
| 605 | L | 27.1 | Very low | 28.9 | Very low | 141 Ų | 141 | 156.9 Ų | 156.9 | 74% | 0.738 | 79% | 0.793 | S | S | * | * | | | trans | -78.4 | 150.5 | 178.8 | -65 | 84.8 | 0 | 0 | 0 | 113.5 | | |
| 606 | Y | 28.3 | Very low | 29.1 | Very low | 240 Ų | 240 | 162.4 Ų | 162.4 | 94% | 0.941 | 80% | 0.795 | S | S | * | * | | | trans | -140.1 | 131.7 | 139.7 | -113.2 | -84.9 | 0 | 0 | 0 | 110.7 | | |
| 607 | T | 26.5 | Very low | 29.1 | Very low | 100 Ų | 100 | 162 Ų | 162 | 61% | 0.613 | 79% | 0.794 | S | S | * | * | | | trans | -120.4 | 124.6 | -171.1 | -37.2 | 0 | 0 | 0 | 0 | 109.7 | | |
| 608 | A | 28.8 | Very low | 28.9 | Very low | 107 Ų | 107 | 165 Ų | 165 | 88% | 0.884 | 81% | 0.805 | S | S | * | * | | | trans | -137.8 | 75.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 609 | R | 26.9 | Very low | 28.9 | Very low | 214 Ų | 214 | 159.1 Ų | 159.1 | 81% | 0.808 | 80% | 0.795 | S | S | * | * | | | trans | -82.7 | 132.8 | 168.7 | -70.1 | 179.3 | 174.2 | 179 | -2.6 | 109.7 | | |
| 610 | R | 25.6 | Very low | 28.7 | Very low | 241 Ų | 241 | 154.7 Ų | 154.7 | 91% | 0.909 | 79% | 0.794 | S | S | * | * | | | trans | -134.2 | 92.2 | 153.8 | -73.6 | -169 | -174.6 | 177.1 | 3.7 | 108.5 | | |
| 611 | N | 26.9 | Very low | 28.3 | Very low | 134 Ų | 134 | 157.8 Ų | 157.8 | 72% | 0.717 | 80% | 0.804 | S | S | * | * | | | trans | -96.4 | 134.8 | 167.4 | -64.1 | 4 | 0 | 0 | 0 | 107.7 | | |
| 612 | F | 32.1 | Very low | 28.3 | Very low | 200 Ų | 200 | 159.4 Ų | 159.4 | 88% | 0.877 | 81% | 0.807 | S | S | * | * | | | trans | -136.5 | 149.2 | 155.4 | -84.3 | -82.7 | 0 | 0 | 0 | 108.3 | | |
| 613 | P | 31.3 | Very low | 28.4 | Very low | 114 Ų | 114 | 159.2 Ų | 159.2 | 74% | 0.74 | 81% | 0.81 | S | S | * | * | | | trans | -101.1 | 170.5 | -147.9 | 0.1 | 22.1 | 0 | 0 | 0 | 115.2 | D615 | P613-D615 PolarHBondContact O-N 3.47Š|
| 614 | D | 28.9 | Very low | 28.3 | Very low | 156 Ų | 156 | 160.5 Ų | 160.5 | 83% | 0.834 | 81% | 0.813 | S | S | * | * | | | trans | -65.9 | 101.9 | 175.8 | -60.2 | -65.7 | 0 | 0 | 0 | 113.3 | R616 | D614-R616 PolarHBondContact O-N 3.3Š|
| 615 | D | 30.9 | Very low | 28 | Very low | 160 Ų | 160 | 164.7 Ų | 164.7 | 86% | 0.856 | 82% | 0.816 | S | S | * | * | | | trans | -81.7 | 101.8 | 166.2 | -102.9 | -33.3 | 0 | 0 | 0 | 111.1 | P613 S617 | P613-D615 PolarHBondContact O-N 3.47Å; D615-S617 PolarHBondContact O-N 2.86Å |
| 616 | R | 27.4 | Very low | 28.1 | Very low | 242 Ų | 242 | 162.9 Ų | 162.9 | 91% | 0.913 | 82% | 0.815 | S | S | * | * | | | trans | -80.2 | 92.3 | 172.4 | -70.8 | 179.7 | 175 | 177.8 | -1 | 110.7 | D614 | D614-R616 PolarHBondContact O-N 3.3Š|
| 617 | S | 29.6 | Very low | 28 | Very low | 96 Ų | 96 | 161.5 Ų | 161.5 | 67% | 0.671 | 81% | 0.81 | S | S | * | * | | | trans | -134.3 | 107.4 | 162.8 | 64.5 | 0 | 0 | 0 | 0 | 111.6 | D615 P619 | D615-S617 PolarHBondContact O-N 2.86Å; S617-P619 VanDerWaalsContact O-CD 3.22Å; S617-P619 WeakPolarHBondContact O-CD 3.13Å |
| 618 | H | 24.1 | Very low | 28.3 | Very low | 202 Ų | 202 | 165.2 Ų | 165.2 | 94% | 0.935 | 82% | 0.82 | S | S | * | * | | | trans | -77.4 | 126.2 | 162 | -78 | -81.9 | 0 | 0 | 0 | 109.4 | | |
| 619 | P | 28.7 | Very low | 28.5 | Very low | 113 Ų | 113 | 168.4 Ų | 168.4 | 73% | 0.734 | 82% | 0.817 | S | S | * | * | | | trans | -123.6 | 144.2 | 140.5 | 33.9 | -25.6 | 0 | 0 | 0 | 111.4 | S617 | S617-P619 VanDerWaalsContact O-CD 3.22Å; S617-P619 WeakPolarHBondContact O-CD 3.13Å |
| 620 | S | 25.8 | Very low | 28.8 | Very low | 110 Ų | 110 | 166 Ų | 166 | 77% | 0.769 | 82% | 0.819 | S | S | * | * | | | trans | -67.9 | 130.1 | -179.7 | 52.5 | 0 | 0 | 0 | 0 | 112.9 | | |
| 621 | L | 30.1 | Very low | 28.9 | Very low | 170 Ų | 170 | 161 Ų | 161 | 89% | 0.89 | 81% | 0.811 | S | S | * | * | | | trans | -130.9 | 125.2 | 149 | -78.8 | 178.9 | 0 | 0 | 0 | 110.4 | | |
| 622 | Q | 25.4 | Very low | 29.2 | Very low | 186 Ų | 186 | 160.6 Ų | 160.6 | 87% | 0.869 | 82% | 0.815 | S | S | * | * | | | trans | -74.5 | 126.2 | 173.1 | -62.7 | 170 | -8.5 | 0 | 0 | 109 | | |
| 623 | T | 30.3 | Very low | 29.2 | Very low | 120 Ų | 120 | 158.6 Ų | 158.6 | 74% | 0.736 | 81% | 0.809 | S | S | * | * | | | trans | -131.6 | 116.3 | 157.6 | -23.3 | 0 | 0 | 0 | 0 | 109.5 | Y625 | T623-Y625 PolarHBondContact O-N 3Š|
| 624 | K | 27.5 | Very low | 29.2 | Very low | 194 Ų | 194 | 157.4 Ų | 157.4 | 84% | 0.843 | 81% | 0.808 | S | S | * | * | | | trans | -68.8 | 116.3 | -178.4 | -65.1 | 167.5 | 177 | 173.4 | 0 | 109.9 | | |
| 625 | Y | 26.1 | Very low | 29.3 | Very low | 218 Ų | 218 | 160 Ų | 160 | 86% | 0.855 | 81% | 0.813 | S | S | * | * | | | trans | -108.4 | 88.7 | 151.4 | -78.1 | -79.6 | 0 | 0 | 0 | 108.1 | T623 | T623-Y625 PolarHBondContact O-N 3Š|
| 626 | S | 28.3 | Very low | 29.3 | Very low | 103 Ų | 103 | 162.3 Ų | 162.3 | 72% | 0.72 | 81% | 0.81 | S | S | * | * | | | trans | -75.9 | 123.9 | 168.8 | -168.8 | 0 | 0 | 0 | 0 | 108.3 | | |
| 627 | Y | 26.6 | Very low | 29.4 | Very low | 211 Ų | 211 | 156.5 Ų | 156.5 | 83% | 0.827 | 81% | 0.806 | S | S | * | * | | | trans | -52.9 | 140.1 | 163.3 | -89.1 | -115.4 | 0 | 0 | 0 | 109.8 | | |
| 628 | H | 32.5 | Very low | 29.3 | Very low | 178 Ų | 178 | 160.3 Ų | 160.3 | 82% | 0.824 | 81% | 0.811 | S | S | * | * | | | trans | -133.7 | 127.7 | 147.1 | -104.7 | -74 | 0 | 0 | 0 | 107.9 | | |
| 629 | Q | 33.6 | Very low | 29.6 | Very low | 175 Ų | 175 | 156.4 Ų | 156.4 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | | | trans | -68.7 | 137.1 | -175.9 | -71 | 149.5 | -74.5 | 0 | 0 | 111 | N631 | Q629-N631 PolarHBondContact O-N 3.07Š|
| 630 | D | 32.5 | Very low | 29.6 | Very low | 162 Ų | 162 | 157.3 Ų | 157.3 | 87% | 0.866 | 81% | 0.809 | S | S | * | * | | | trans | -59.2 | 117.8 | 160.4 | -69.9 | -57.5 | 0 | 0 | 0 | 109.1 | P632 | D630-P632 VanDerWaalsContact O-CD 3.29Å; D630-P632 WeakPolarHBondContact O-CD 3.48Å |
| 631 | N | 28.9 | Very low | 29.9 | Very low | 136 Ų | 136 | 156.6 Ų | 156.6 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | | | trans | -105.4 | 94 | 167.2 | -176.6 | 15.5 | 0 | 0 | 0 | 109 | Q629 E633 | Q629-N631 PolarHBondContact O-N 3.07Å; N631-E633 VanDerWaalsContact C-N 3.31Å; N631-E633 PolarHBondContact O-N 3.16Å |
| 632 | P | 33.3 | Very low | 30.3 | Very low | 126 Ų | 126 | 154.5 Ų | 154.5 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | | | trans | -84.4 | 68.8 | -176.4 | 35.6 | -36.7 | 0 | 0 | 0 | 111.5 | D630 | D630-P632 VanDerWaalsContact O-CD 3.29Å; D630-P632 WeakPolarHBondContact O-CD 3.48Å |
| 633 | E | 31.7 | Very low | 30.5 | Very low | 159 Ų | 159 | 154.4 Ų | 154.4 | 74% | 0.743 | 80% | 0.801 | S | S | * | * | | | trans | -122.6 | 128.8 | 174 | -146.4 | 174.9 | -154.2 | 0 | 0 | 113.6 | N631 | N631-E633 VanDerWaalsContact C-N 3.31Å; N631-E633 PolarHBondContact O-N 3.16Å |
| 634 | A | 30.7 | Very low | 30.7 | Very low | 88 Ų | 88 | 156.3 Ų | 156.3 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | | | trans | 63.8 | 55.5 | 156.8 | 0 | 0 | 0 | 0 | 0 | 121 | R636 | A634-R636 PolarHBondContact O-N 3Š|
| 635 | F | 31.7 | Very low | 30.8 | Very low | 212 Ų | 212 | 150.3 Ų | 150.3 | 93% | 0.93 | 80% | 0.798 | S | S | * | * | | | trans | -83.8 | 85.6 | 152.9 | -81.2 | -74.8 | 0 | 0 | 0 | 112.2 | S637 | F635-S637 PolarHBondContact O-N 3.1Š|
| 636 | R | 30.1 | Very low | 30.9 | Very low | 208 Ų | 208 | 150.8 Ų | 150.8 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | | | trans | -68.6 | 110.1 | 160.9 | -73 | -179.9 | 176.1 | -91.5 | 0 | 108.5 | A634 F638 | A634-R636 PolarHBondContact O-N 3Å; R636-F638 HydrophobicContact CB-CE2 4.47Å; R636-F638 HydrophobicContact CB-CZ 4.33Å; R636-F638 WeakPolarHBondContact O-CD2 3.26Å; R636-F638 WeakPolarHBondContact O-CE2 3.45Å; R636-F638 PolarHBondContact O-N 2.98Å |
| 637 | S | 29.9 | Very low | 31.1 | Very low | 120 Ų | 120 | 158 Ų | 158 | 84% | 0.839 | 81% | 0.809 | S | S | * | * | | | trans | -75.4 | 107.7 | 179.8 | 45.9 | 0 | 0 | 0 | 0 | 111.7 | F635 | F635-S637 PolarHBondContact O-N 3.1Š|
| 638 | F | 29 | Very low | 31.4 | Very low | 175 Ų | 175 | 155.4 Ų | 155.4 | 77% | 0.768 | 81% | 0.809 | S | S | * | * | | | trans | -83.9 | 129.1 | 165.9 | -51.9 | -78.4 | 0 | 0 | 0 | 109.5 | R636 V640 | R636-F638 HydrophobicContact CB-CE2 4.47Å; R636-F638 HydrophobicContact CB-CZ 4.33Å; R636-F638 WeakPolarHBondContact O-CD2 3.26Å; R636-F638 WeakPolarHBondContact O-CE2 3.45Å; R636-F638 PolarHBondContact O-N 2.98Å; F638-V640 PolarHBondContact O-N 2.82Å |
| 639 | S | 29.3 | Very low | 31.2 | Very low | 120 Ų | 120 | 151.8 Ų | 151.8 | 84% | 0.839 | 80% | 0.803 | S | S | * | * | | | trans | -78 | 100 | 177.8 | 55.9 | 0 | 0 | 0 | 0 | 110.8 | S641 | S639-S641 PolarHBondContact O-N 3.21Š|
| 640 | V | 28.7 | Very low | 31.2 | Very low | 132 Ų | 132 | 152 Ų | 152 | 80% | 0.8 | 80% | 0.804 | S | S | * | * | | | trans | -82.7 | 112.5 | 170.4 | -175.4 | 0 | 0 | 0 | 0 | 108.6 | F638 | F638-V640 PolarHBondContact O-N 2.82Š|
| 641 | S | 32.9 | Very low | 31 | Very low | 96 Ų | 96 | 151.7 Ų | 151.7 | 67% | 0.671 | 80% | 0.802 | S | S | * | * | | | trans | -65 | 145.6 | 170.9 | -67.8 | 0 | 0 | 0 | 0 | 110 | S639 E643 | S639-S641 PolarHBondContact O-N 3.21Å; S641-E643 PolarHBondContact O-N 2.95Å |
| 642 | P | 37 | Very low | 31 | Very low | 126 Ų | 126 | 150.2 Ų | 150.2 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | | | trans | -62.8 | 105.4 | -179.8 | -20.8 | 32.7 | 0 | 0 | 0 | 110.8 | I644 | P642-I644 PolarHBondContact O-N 2.94Š|
| 643 | E | 30.7 | Very low | 30.9 | Very low | 184 Ų | 184 | 150.5 Ų | 150.5 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | | | trans | -67.4 | 122.9 | 174 | -166.5 | 160.2 | -150 | 0 | 0 | 108.3 | S641 G645 | S641-E643 PolarHBondContact O-N 2.95Å; E643-G645 PolarHBondContact O-N 2.83Å |
| 644 | I | 33.9 | Very low | 30.6 | Very low | 159 Ų | 159 | 150.7 Ų | 150.7 | 82% | 0.815 | 81% | 0.805 | S | S | * | * | | | trans | -73 | 89 | -179.3 | -64.7 | 167.4 | 0 | 0 | 0 | 106.6 | P642 R646 | P642-I644 PolarHBondContact O-N 2.94Å; I644-R646 PolarHBondContact O-N 3.01Å |
| 645 | G | 30 | Very low | 30.6 | Very low | 68 Ų | 68 | 154.3 Ų | 154.3 | 70% | 0.701 | 81% | 0.811 | S | S | * | * | | | trans | -52.5 | 103.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | E643 R647 | E643-G645 PolarHBondContact O-N 2.83Å; G645-R647 PolarHBondContact O-N 3.08Å |
| 646 | R | 27.8 | Very low | 30.6 | Very low | 228 Ų | 228 | 149.1 Ų | 149.1 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | | | trans | -58.6 | 131.6 | 169.7 | -74.7 | 178.8 | 167.8 | -172.1 | -3.6 | 107.7 | I644 I648 | I644-R646 PolarHBondContact O-N 3.01Å; R646-I648 PolarHBondContact O-N 3.03Å |
| 647 | R | 33.1 | Very low | 30.3 | Very low | 254 Ų | 254 | 144.6 Ų | 144.6 | 96% | 0.958 | 80% | 0.799 | S | S | * | * | | | trans | -65.8 | 102.6 | 165.3 | -61.1 | -178.5 | -172.8 | -138.2 | 1.2 | 107.1 | G645 | G645-R647 PolarHBondContact O-N 3.08Š|
| 648 | I | 32.6 | Very low | 30.3 | Very low | 158 Ų | 158 | 150.7 Ų | 150.7 | 81% | 0.81 | 80% | 0.803 | S | S | * | * | | | trans | -82.5 | 127 | 163.2 | 3.1 | 177.4 | 0 | 0 | 0 | 106.6 | R646 | R646-I648 PolarHBondContact O-N 3.03Š|
| 649 | S | 28.2 | Very low | 30.1 | Very low | 101 Ų | 101 | 146.9 Ų | 146.9 | 71% | 0.706 | 80% | 0.798 | S | S | * | * | | | trans | -81.4 | 113.2 | 177.7 | 48.9 | 0 | 0 | 0 | 0 | 109.5 | | |
| 650 | E | 33.3 | Very low | 30.2 | Very low | 181 Ų | 181 | 152 Ų | 152 | 85% | 0.846 | 80% | 0.801 | S | S | * | * | | | trans | -102.2 | 80 | 161 | -72.1 | -174.8 | 170.3 | 0 | 0 | 108.4 | S652 | E650-S652 PolarHBondContact O-N 2.91Š|
| 651 | D | 28.2 | Very low | 30 | Very low | 154 Ų | 154 | 151.3 Ų | 151.3 | 82% | 0.824 | 79% | 0.793 | S | S | * | * | | | trans | -66 | 113.6 | 156.9 | -75.1 | -47.3 | 0 | 0 | 0 | 107.4 | | |
| 652 | S | 28.8 | Very low | 29.8 | Very low | 105 Ų | 105 | 153.8 Ų | 153.8 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | | | trans | -151.2 | 139.2 | 172.1 | -82 | 0 | 0 | 0 | 0 | 111.2 | E650 | E650-S652 PolarHBondContact O-N 2.91Š|
| 653 | V | 32.1 | Very low | 29.5 | Very low | 132 Ų | 132 | 153.9 Ų | 153.9 | 80% | 0.8 | 79% | 0.787 | S | S | * | * | | | trans | 78.5 | 77.5 | 174.8 | -160.5 | 0 | 0 | 0 | 0 | 116.7 | | |
| 654 | M | 25.2 | Very low | 29.6 | Very low | 164 Ų | 164 | 153.6 Ų | 153.6 | 81% | 0.808 | 79% | 0.79 | S | S | * | * | | | | 47.4 | 119.8 | 124.5 | -56.4 | -177 | 79 | 0 | 0 | 120.5 | | |
| 655 | L | 29.9 | Very low | 29.4 | Very low | 164 Ų | 164 | 152.2 Ų | 152.2 | 86% | 0.859 | 78% | 0.784 | S | S | * | * | | | | -179.7 | 162.6 | 106.5 | -89.4 | 166 | 0 | 0 | 0 | 109.4 | | |
| 656 | P | 32.6 | Very low | 29.2 | Very low | 103 Ų | 103 | 157.2 Ų | 157.2 | 67% | 0.669 | 79% | 0.791 | S | S | * | * | | | trans | -116.4 | 168 | -133 | 43.2 | -38.2 | 0 | 0 | 0 | 116.8 | | |
| 657 | S | 24.2 | Very low | 29.3 | Very low | 112 Ų | 112 | 153.7 Ų | 153.7 | 78% | 0.783 | 79% | 0.788 | S | S | * | * | | | trans | 62.7 | 98.6 | 147.6 | -60.3 | 0 | 0 | 0 | 0 | 119.2 | | |
| 658 | R | 29.9 | Very low | 29 | Very low | 248 Ų | 248 | 145.1 Ų | 145.1 | 94% | 0.936 | 78% | 0.779 | S | S | * | * | | | | -146.7 | 110.9 | 128.4 | -109.1 | 166 | -163.1 | -154 | 1.6 | 110.8 | | |
| 659 | S | 23.7 | Very low | 29 | Very low | 95 Ų | 95 | 142.5 Ų | 142.5 | 66% | 0.664 | 77% | 0.774 | S | S | * | * | | | trans | -67.5 | 134.8 | 173.5 | 175.3 | 0 | 0 | 0 | 0 | 110.6 | | |
| 660 | Y | 30.9 | Very low | 28.9 | Very low | 229 Ų | 229 | 145.2 Ų | 145.2 | 90% | 0.898 | 78% | 0.781 | S | S | * | * | | | trans | -147.4 | 129.2 | 139.1 | -90.5 | -71.8 | 0 | 0 | 0 | 109.8 | | |
| 661 | N | 25.5 | Very low | 28.9 | Very low | 117 Ų | 117 | 141.5 Ų | 141.5 | 63% | 0.626 | 78% | 0.775 | S | S | * | * | | | trans | -48.2 | 165.1 | 158.4 | -71.1 | 7.5 | 0 | 0 | 0 | 111.6 | | |
| 662 | E | 28.7 | Very low | 29 | Very low | 148 Ų | 148 | 141.8 Ų | 141.8 | 69% | 0.692 | 78% | 0.776 | S | S | * | * | | | cis | -162.9 | 166.4 | 18.7 | -130.1 | 138.3 | -138.1 | 0 | 0 | 109.1 | | |
| 663 | D | 30.3 | Very low | 29 | Very low | 127 Ų | 127 | 144.1 Ų | 144.1 | 68% | 0.679 | 78% | 0.78 | S | S | * | * | | | trans | 47.2 | 96.6 | 147.3 | -59.4 | -15.3 | 0 | 0 | 0 | 122.1 | | |
| 664 | I | 34 | Very low | 28.8 | Very low | 178 Ų | 178 | 148.6 Ų | 148.6 | 91% | 0.913 | 78% | 0.782 | S | S | * | * | | | | -130.6 | 111.5 | 129.2 | -60.1 | -175.1 | 0 | 0 | 0 | 109.5 | | |
| 665 | N | 28.5 | Very low | 29 | Very low | 131 Ų | 131 | 148.3 Ų | 148.3 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | | | trans | -72.9 | 155.4 | -179.2 | -106.2 | -52.3 | 0 | 0 | 0 | 113.8 | | |
| 666 | M | 26.4 | Very low | 28.9 | Very low | 172 Ų | 172 | 145.7 Ų | 145.7 | 85% | 0.847 | 78% | 0.778 | S | S | * | * | | | trans | -43.5 | 135 | 179.1 | -54.8 | -171 | -69.7 | 0 | 0 | 116 | | |
| 667 | I | 29.8 | Very low | 28.6 | Very low | 155 Ų | 155 | 146.5 Ų | 146.5 | 80% | 0.795 | 79% | 0.785 | S | S | * | * | | | trans | -131.6 | 100.6 | 146.5 | -59.8 | -177.8 | 0 | 0 | 0 | 108.8 | | |
| 668 | G | 26.4 | Very low | 28.8 | Very low | 74 Ų | 74 | 146 Ų | 146 | 76% | 0.763 | 78% | 0.782 | S | S | * | * | | | trans | -78 | 132.7 | 162.4 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 669 | S | 31.7 | Very low | 28.8 | Very low | 103 Ų | 103 | 138.3 Ų | 138.3 | 72% | 0.72 | 77% | 0.772 | S | S | * | * | | | trans | -142.3 | 112 | 174.8 | -75.1 | 0 | 0 | 0 | 0 | 110.1 | S671 | S669-S671 PolarHBondContact O-N 2.97Š|
| 670 | N | 28 | Very low | 29.1 | Very low | 157 Ų | 157 | 139.9 Ų | 139.9 | 84% | 0.84 | 78% | 0.78 | S | S | * | * | | | trans | -64.3 | 119.5 | -169.4 | -65.9 | -47.6 | 0 | 0 | 0 | 112.8 | N672 | N670-N672 PolarHBondContact O-N 2.81Š|
| 671 | S | 32.1 | Very low | 29 | Very low | 104 Ų | 104 | 134 Ų | 134 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | | | trans | -77.8 | 84.1 | 173.7 | 58.2 | 0 | 0 | 0 | 0 | 111.4 | S669 L673 | S669-S671 PolarHBondContact O-N 2.97Å; S671-L673 PolarHBondContact O-N 2.87Å |
| 672 | N | 31 | Very low | 29.4 | Very low | 159 Ų | 159 | 134.3 Ų | 134.3 | 85% | 0.85 | 78% | 0.78 | S | S | * | * | | | trans | -70.8 | 94.5 | 168.4 | -89.3 | -35.4 | 0 | 0 | 0 | 110.5 | N670 R674 | N670-N672 PolarHBondContact O-N 2.81Å; N672-R674 PolarHBondContact O-N 3.14Å |
| 673 | L | 27.8 | Very low | 29.7 | Very low | 154 Ų | 154 | 135.2 Ų | 135.2 | 81% | 0.806 | 79% | 0.789 | S | S | * | * | | | trans | -63.7 | 97.8 | 176.4 | -72.7 | 162.1 | 0 | 0 | 0 | 111.4 | S671 | S671-L673 PolarHBondContact O-N 2.87Š|
| 674 | R | 28.2 | Very low | 29.9 | Very low | 227 Ų | 227 | 138.8 Ų | 138.8 | 86% | 0.857 | 80% | 0.798 | S | S | * | * | | | trans | -98.2 | 96.7 | 169.1 | -156.8 | 173.3 | -167.1 | 173.3 | 4.4 | 110.1 | N672 C676 | N672-R674 PolarHBondContact O-N 3.14Å; R674-C676 PolarHBondContact O-N 2.96Å |
| 675 | L | 29.3 | Very low | 29.7 | Very low | 158 Ų | 158 | 140.8 Ų | 140.8 | 83% | 0.827 | 80% | 0.795 | S | S | * | * | | | trans | -66 | 99.5 | 174.2 | -77.2 | 102.2 | 0 | 0 | 0 | 110.8 | S677 | L675-S677 PolarHBondContact O-N 2.81Š|
| 676 | C | 28.1 | Very low | 30 | Very low | 109 Ų | 109 | 143.7 Ų | 143.7 | 74% | 0.736 | 80% | 0.801 | S | S | * | * | | | trans | -85 | 81.1 | 166.7 | -72.2 | 0 | 0 | 0 | 0 | 110.2 | R674 S678 | R674-C676 PolarHBondContact O-N 2.96Å; C676-S678 VanDerWaalsContact C-N 3.33Å; C676-S678 PolarHBondContact O-N 3.49Å |
| 677 | S | 27.1 | Very low | 30.5 | Very low | 119 Ų | 119 | 141.1 Ų | 141.1 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | | | trans | -78.1 | 77.1 | 172.4 | 57.9 | 0 | 0 | 0 | 0 | 111.4 | L675 | L675-S677 PolarHBondContact O-N 2.81Š|
| 678 | S | 27.8 | Very low | 30.5 | Very low | 102 Ų | 102 | 143.4 Ų | 143.4 | 71% | 0.713 | 80% | 0.797 | S | S | * | * | | | trans | -100.5 | 115.5 | 164.2 | 49.4 | 0 | 0 | 0 | 0 | 109.8 | C676 | C676-S678 VanDerWaalsContact C-N 3.33Å; C676-S678 PolarHBondContact O-N 3.49Å |
| 679 | A | 28.7 | Very low | 30.5 | Very low | 87 Ų | 87 | 147.5 Ų | 147.5 | 72% | 0.719 | 80% | 0.796 | S | S | * | * | | | trans | -61 | 136 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | S681 | A679-S681 PolarHBondContact O-N 3.43Š|
| 680 | P | 31.3 | Very low | 30.4 | Very low | 128 Ų | 128 | 147.3 Ų | 147.3 | 83% | 0.831 | 79% | 0.791 | S | S | * | * | | | trans | -66.5 | 106.3 | -178.5 | -17.5 | 29.8 | 0 | 0 | 0 | 110.9 | | |
| 681 | S | 29.1 | Very low | 30.4 | Very low | 106 Ų | 106 | 144.4 Ų | 144.4 | 74% | 0.741 | 78% | 0.783 | S | S | * | * | | | trans | -55.4 | 123.1 | 169.3 | -69.8 | 0 | 0 | 0 | 0 | 109.3 | A679 L683 | A679-S681 PolarHBondContact O-N 3.43Å; S681-L683 PolarHBondContact O-N 3.28Å |
| 682 | P | 33.7 | Very low | 30.5 | Very low | 123 Ų | 123 | 147.5 Ų | 147.5 | 80% | 0.799 | 78% | 0.784 | S | S | * | * | | | trans | -63.8 | 109.1 | -175.4 | 23.2 | -32.5 | 0 | 0 | 0 | 110.1 | K684 | P682-K684 PolarHBondContact O-N 3Š|
| 683 | L | 34.8 | Very low | 30.5 | Very low | 167 Ų | 167 | 147.6 Ų | 147.6 | 87% | 0.874 | 78% | 0.784 | S | S | * | * | | | trans | -51.4 | 108.4 | 176.5 | -84.5 | 154.6 | 0 | 0 | 0 | 109.6 | S681 R685 | S681-L683 PolarHBondContact O-N 3.28Å; L683-R685 VanDerWaalsContact C-N 3.31Å; L683-R685 PolarHBondContact O-N 2.89Å |
| 684 | K | 34.8 | Very low | 31 | Very low | 201 Ų | 201 | 146.4 Ų | 146.4 | 87% | 0.874 | 78% | 0.778 | S | S | * | * | | | trans | -60.3 | 93.3 | 172.5 | -72.9 | -178.6 | 178.7 | 176.2 | 0 | 108.6 | P682 K686 | P682-K684 PolarHBondContact O-N 3Å; K684-K686 PolarHBondContact O-N 3.14Å; K684-K686 VanDerWaalsContact O-N 3.09Å |
| 685 | R | 28.9 | Very low | 31.5 | Very low | 221 Ų | 221 | 142 Ų | 142 | 83% | 0.834 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 116.7 | 173.4 | -70.3 | -178.2 | 174.4 | 177.7 | -3.1 | 107.8 | L683 | L683-R685 VanDerWaalsContact C-N 3.31Å; L683-R685 PolarHBondContact O-N 2.89Å |
| 686 | K | 34.8 | Very low | 32 | Very low | 191 Ų | 191 | 146.1 Ų | 146.1 | 83% | 0.83 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 135.9 | 173.2 | -71.1 | -175.2 | 177.5 | -178.8 | 0 | 108.1 | K684 Y688 | K684-K686 PolarHBondContact O-N 3.14Å; K684-K686 VanDerWaalsContact O-N 3.09Å; K686-Y688 PolarHBondContact O-N 3.31Å |
| 687 | P | 36.7 | Very low | 32.3 | Very low | 119 Ų | 119 | 146.9 Ų | 146.9 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 137.5 | 179 | 25.2 | -33.5 | 0 | 0 | 0 | 109.9 | Q689 | P687-Q689 PolarHBondContact O-N 2.89Š|
| 688 | Y | 31.2 | Very low | 32.4 | Very low | 202 Ų | 202 | 145.5 Ų | 145.5 | 79% | 0.792 | 76% | 0.759 | S | S | * | * | | | trans | -57.2 | 111.7 | -178 | -65.1 | -86.7 | 0 | 0 | 0 | 110.9 | K686 V690 | K686-Y688 PolarHBondContact O-N 3.31Å; Y688-V690 PolarHBondContact O-N 2.86Å; Y688-V690 VanDerWaalsContact O-N 3.11Å |
| 689 | Q | 26.1 | Very low | 32.6 | Very low | 160 Ų | 160 | 149.4 Ų | 149.4 | 75% | 0.748 | 76% | 0.759 | S | S | * | * | | | trans | -79.9 | 91.4 | 174.9 | -170.5 | 170.2 | 5.9 | 0 | 0 | 108.4 | P687 S691 | P687-Q689 PolarHBondContact O-N 2.89Å; Q689-S691 PolarHBondContact O-N 3.21Å; Q689-S691 VanDerWaalsContact O-N 3.11Å |
| 690 | V | 28 | Very low | 32.7 | Very low | 100 Ų | 100 | 151 Ų | 151 | 61% | 0.606 | 75% | 0.754 | S | S | * | * | | | trans | -74.3 | 99.7 | 175.3 | -178.3 | 0 | 0 | 0 | 0 | 108.5 | Y688 F692 | Y688-V690 PolarHBondContact O-N 2.86Å; Y688-V690 VanDerWaalsContact O-N 3.11Å; V690-F692 HydrophobicContact CB-CZ 4.39Å; V690-F692 HydrophobicContact CG1-CD1 4.13Å; V690-F692 HydrophobicContact CG1-CE1 3.62Å; V690-F692 HydrophobicContact CG1-CE2 4.47Å; V690-F692 HydrophobicContact CG1-CZ 3.82Å |
| 691 | S | 28.5 | Very low | 32.5 | Very low | 96 Ų | 96 | 153 Ų | 153 | 67% | 0.671 | 75% | 0.753 | S | S | * | * | | | trans | -81.8 | 110.6 | 170.5 | 52.9 | 0 | 0 | 0 | 0 | 110 | Q689 N693 | Q689-S691 PolarHBondContact O-N 3.21Å; Q689-S691 VanDerWaalsContact O-N 3.11Å; S691-N693 PolarHBondContact O-N 3.19Å |
| 692 | F | 34.4 | Very low | 32.5 | Very low | 169 Ų | 169 | 156.9 Ų | 156.9 | 74% | 0.741 | 75% | 0.753 | S | S | * | * | | | trans | -78.5 | 105.3 | 169.1 | -46.8 | -79.5 | 0 | 0 | 0 | 108.6 | V690 L694 | V690-F692 HydrophobicContact CB-CZ 4.39Å; V690-F692 HydrophobicContact CG1-CD1 4.13Å; V690-F692 HydrophobicContact CG1-CE1 3.62Å; V690-F692 HydrophobicContact CG1-CE2 4.47Å; V690-F692 HydrophobicContact CG1-CZ 3.82Å; F692-L694 PolarHBondContact O-N 2.72Å |
| 693 | N | 32.1 | Very low | 32.4 | Very low | 161 Ų | 161 | 157 Ų | 157 | 86% | 0.861 | 75% | 0.753 | S | S | * | * | | | trans | -72.6 | 83.4 | 163.4 | -80.9 | -8 | 0 | 0 | 0 | 108 | S691 D695 | S691-N693 PolarHBondContact O-N 3.19Å; N693-D695 PolarHBondContact O-N 3.39Å |
| 694 | L | 37.5 | Very low | 32.1 | Very low | 129 Ų | 129 | 159.3 Ų | 159.3 | 68% | 0.675 | 75% | 0.752 | S | S | * | * | | | trans | -69.5 | 114.6 | 161.4 | -71.6 | 170.6 | 0 | 0 | 0 | 107.1 | F692 R696 | F692-L694 PolarHBondContact O-N 2.72Å; L694-R696 PolarHBondContact O-N 3.48Å |
| 695 | D | 38.2 | Very low | 31.9 | Very low | 133 Ų | 133 | 154.3 Ų | 154.3 | 71% | 0.711 | 74% | 0.742 | S | S | * | * | | | trans | -55.2 | 137.9 | 170.7 | -107.4 | -37.5 | 0 | 0 | 0 | 109.5 | N693 N697 T698 | N693-D695 PolarHBondContact O-N 3.39Å; D695-N697 PolarHBondContact O-N 3.38Å; D695-T698 PolarHBondContact O-N 3.07Å; D695-T698 PolarHBondContact O-OG1 2.75Å |
| 696 | R | 40.1 | Very low | 32 | Very low | 245 Ų | 245 | 153.5 Ų | 153.5 | 93% | 0.925 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.5 | -5.2 | -168.4 | -64.3 | -175.5 | -176.8 | -175 | 1.9 | 114.6 | L694 | L694-R696 PolarHBondContact O-N 3.48Š|
| 697 | N | 33.8 | Very low | 31.6 | Very low | 126 Ų | 126 | 147.9 Ų | 147.9 | 67% | 0.674 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.8 | 4.7 | -177.6 | -57.5 | -16.4 | 0 | 0 | 0 | 112.7 | D695 Y699 | D695-N697 PolarHBondContact O-N 3.38Å; N697-Y699 WeakPolarHBondContact O-CD2 3.32Å; N697-Y699 VanDerWaalsContact O-CE2 3.27Å; N697-Y699 WeakPolarHBondContact O-CE2 3.16Å; N697-Y699 PolarHBondContact O-N 3.01Å |
| 698 | T | 30.9 | Very low | 31.3 | Very low | 89 Ų | 89 | 148.6 Ų | 148.6 | 55% | 0.546 | 74% | 0.741 | S | S | . | * | | | trans | -82 | 98.7 | 176.8 | -50.3 | 0 | 0 | 0 | 0 | 110.2 | D695 | D695-T698 PolarHBondContact O-N 3.07Å; D695-T698 PolarHBondContact O-OG1 2.75Å |
| 699 | Y | 30.6 | Very low | 31.2 | Very low | 184 Ų | 184 | 143.6 Ų | 143.6 | 72% | 0.722 | 73% | 0.731 | S | S | * | * | | | trans | -77.6 | 136.7 | 174.8 | -58.6 | -86.2 | 0 | 0 | 0 | 110.7 | N697 | N697-Y699 WeakPolarHBondContact O-CD2 3.32Å; N697-Y699 VanDerWaalsContact O-CE2 3.27Å; N697-Y699 WeakPolarHBondContact O-CE2 3.16Å; N697-Y699 PolarHBondContact O-N 3.01Å |
| 700 | I | 32 | Very low | 31.3 | Very low | 120 Ų | 120 | 142 Ų | 142 | 62% | 0.615 | 74% | 0.738 | S | S | * | * | | | trans | -103.7 | 101 | 168.7 | -60.3 | 173.8 | 0 | 0 | 0 | 106.6 | Y702 | I700-Y702 HydrophobicContact CG2-CE2 4.24Å; I700-Y702 PolarHBondContact O-N 2.79Å |
| 701 | E | 27 | Very low | 31.3 | Very low | 172 Ų | 172 | 144.7 Ų | 144.7 | 80% | 0.804 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 124.1 | 168.4 | -77.2 | -175.9 | 145.4 | 0 | 0 | 109.3 | | |
| 702 | Y | 29 | Very low | 31.4 | Very low | 186 Ų | 186 | 145.4 Ų | 145.4 | 73% | 0.729 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -84.6 | 134.7 | 170.1 | -75.1 | -93.8 | 0 | 0 | 0 | 108.7 | I700 Y704 | I700-Y702 HydrophobicContact CG2-CE2 4.24Å; I700-Y702 PolarHBondContact O-N 2.79Å; Y702-Y704 PolarHBondContact O-N 2.81Å |
| 703 | P | 30.8 | Very low | 31 | Very low | 125 Ų | 125 | 145.9 Ų | 145.9 | 81% | 0.812 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 128.6 | 176.7 | 24.7 | -32.8 | 0 | 0 | 0 | 110.1 | S705 | P703-S705 PolarHBondContact O-N 3.12Š|
| 704 | Y | 29.3 | Very low | 30.8 | Very low | 216 Ų | 216 | 144 Ų | 144 | 85% | 0.847 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 128.9 | -173.3 | -79 | -105.2 | 0 | 0 | 0 | 112.2 | Y702 | Y702-Y704 PolarHBondContact O-N 2.81Š|
| 705 | S | 30.4 | Very low | 30.6 | Very low | 96 Ų | 96 | 146.8 Ų | 146.8 | 67% | 0.671 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 131.2 | 154.9 | 57.2 | 0 | 0 | 0 | 0 | 109.1 | P703 S707 | P703-S705 PolarHBondContact O-N 3.12Å; S705-S707 VanDerWaalsContact C-N 3.34Å; S705-S707 PolarHBondContact O-N 3.16Å |
| 706 | E | 29.8 | Very low | 29.9 | Very low | 204 Ų | 204 | 151.3 Ų | 151.3 | 95% | 0.953 | 76% | 0.764 | S | S | * | * | | | trans | -65 | 87.3 | 176.5 | -63.6 | 172.4 | 154.4 | 0 | 0 | 111.2 | | |
| 707 | S | 28 | Very low | 29.3 | Very low | 74 Ų | 74 | 145.5 Ų | 145.5 | 52% | 0.517 | 76% | 0.756 | S | S | . | * | | | trans | -131.1 | 120.6 | 167 | 60.4 | 0 | 0 | 0 | 0 | 109.4 | S705 T709 | S705-S707 VanDerWaalsContact C-N 3.34Å; S705-S707 PolarHBondContact O-N 3.16Å; S707-T709 PolarHBondContact O-N 3.14Å |
| 708 | S | 28.9 | Very low | 29.3 | Very low | 134 Ų | 134 | 143.9 Ų | 143.9 | 94% | 0.937 | 75% | 0.752 | S | S | * | * | | | trans | -76.6 | 49.6 | -168.8 | 46.1 | 0 | 0 | 0 | 0 | 114.4 | | |
| 709 | T | 28.8 | Very low | 29.1 | Very low | 97 Ų | 97 | 142.9 Ų | 142.9 | 60% | 0.595 | 76% | 0.76 | S | S | * | * | | | trans | -126.3 | 96.7 | 179.5 | 47 | 0 | 0 | 0 | 0 | 111.1 | S707 L711 | S707-T709 PolarHBondContact O-N 3.14Å; T709-L711 PolarHBondContact O-N 2.76Å |
| 710 | S | 29.3 | Very low | 29 | Very low | 127 Ų | 127 | 144 Ų | 144 | 89% | 0.888 | 76% | 0.764 | S | S | * | * | | | trans | -71.5 | 24.4 | -173.5 | 51.7 | 0 | 0 | 0 | 0 | 115.8 | | |
| 711 | L | 28.5 | Very low | 28.9 | Very low | 155 Ų | 155 | 146.2 Ų | 146.2 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | | | trans | -127.1 | 40.6 | -175.3 | -76.4 | 172.4 | 0 | 0 | 0 | 113.4 | T709 Q713 | T709-L711 PolarHBondContact O-N 2.76Å; L711-Q713 VanDerWaalsContact C-N 3.29Å; L711-Q713 PolarHBondContact O-N 3.24Å |
| 712 | V | 29.8 | Very low | 28.9 | Very low | 112 Ų | 112 | 141.2 Ų | 141.2 | 68% | 0.679 | 76% | 0.759 | S | S | * | * | | | trans | -78.5 | 82.4 | 165.8 | -172.4 | 0 | 0 | 0 | 0 | 109.3 | C714 | V712-C714 PolarHBondContact O-N 2.95Š|
| 713 | Q | 26.9 | Very low | 29 | Very low | 179 Ų | 179 | 137.7 Ų | 137.7 | 84% | 0.836 | 76% | 0.762 | S | S | * | * | | | trans | -57.6 | 109.2 | 165.5 | -84.7 | -172.9 | -19 | 0 | 0 | 109.1 | L711 K715 | L711-Q713 VanDerWaalsContact C-N 3.29Å; L711-Q713 PolarHBondContact O-N 3.24Å; Q713-K715 VanDerWaalsContact C-N 3.33Å; Q713-K715 PolarHBondContact O-N 3.1Å |
| 714 | C | 27.6 | Very low | 29 | Very low | 120 Ų | 120 | 135.4 Ų | 135.4 | 81% | 0.811 | 75% | 0.749 | S | S | * | * | | | trans | -65.6 | 90.1 | 176.3 | -70.3 | 0 | 0 | 0 | 0 | 110.2 | V712 R716 | V712-C714 PolarHBondContact O-N 2.95Å; C714-R716 PolarHBondContact O-N 3.14Å; C714-R716 VanDerWaalsContact O-N 3.1Å |
| 715 | K | 31.9 | Very low | 28.9 | Very low | 189 Ų | 189 | 129.2 Ų | 129.2 | 82% | 0.822 | 75% | 0.751 | S | S | * | * | | | trans | -71.8 | 105.7 | -175.7 | -160.7 | 174.4 | -172.1 | 177.9 | 0 | 109.6 | Q713 V717 | Q713-K715 VanDerWaalsContact C-N 3.33Å; Q713-K715 PolarHBondContact O-N 3.1Å; K715-V717 PolarHBondContact O-N 3.07Å |
| 716 | R | 24.5 | Very low | 28.7 | Very low | 227 Ų | 227 | 128.1 Ų | 128.1 | 86% | 0.857 | 75% | 0.748 | S | S | * | * | | | trans | -54.9 | 110.2 | 170.8 | -79.8 | -177.2 | 173.8 | 175.2 | -1.3 | 109.5 | C714 | C714-R716 PolarHBondContact O-N 3.14Å; C714-R716 VanDerWaalsContact O-N 3.1Å |
| 717 | V | 28.3 | Very low | 28.8 | Very low | 123 Ų | 123 | 124.3 Ų | 124.3 | 75% | 0.745 | 74% | 0.739 | S | S | * | * | | | trans | -99 | 112.7 | 163.4 | -179.4 | 0 | 0 | 0 | 0 | 107.1 | K715 G719 | K715-V717 PolarHBondContact O-N 3.07Å; V717-G719 PolarHBondContact O-N 2.96Å |
| 718 | P | 33.5 | Very low | 29.1 | Very low | 92 Ų | 92 | 126.6 Ų | 126.6 | 60% | 0.597 | 75% | 0.751 | S | S | * | * | | | trans | -64 | 102.9 | 171.9 | -20.8 | 33.9 | 0 | 0 | 0 | 109.4 | Y720 | P718-Y720 HydrophobicContact CB-CD2 4Å; P718-Y720 HydrophobicContact CB-CE2 3.7Å; P718-Y720 PolarHBondContact O-N 3.38Å |
| 719 | G | 26.3 | Very low | 29.1 | Very low | 68 Ų | 68 | 123 Ų | 123 | 70% | 0.701 | 74% | 0.736 | S | S | * | * | | | trans | -70.3 | 75 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | V717 I721 | V717-G719 PolarHBondContact O-N 2.96Å; G719-I721 VanDerWaalsContact C-N 3.3Å; G719-I721 PolarHBondContact O-N 3.29Å |
| 720 | Y | 28.2 | Very low | 29 | Very low | 209 Ų | 209 | 127.3 Ų | 127.3 | 82% | 0.82 | 75% | 0.75 | S | S | * | * | | | trans | -71.3 | 88.8 | 165.6 | -69.3 | -76.8 | 0 | 0 | 0 | 108.9 | P718 S722 | P718-Y720 HydrophobicContact CB-CD2 4Å; P718-Y720 HydrophobicContact CB-CE2 3.7Å; P718-Y720 PolarHBondContact O-N 3.38Å; Y720-S722 PolarHBondContact O-N 3.28Å |
| 721 | I | 30 | Very low | 28.9 | Very low | 165 Ų | 165 | 126.9 Ų | 126.9 | 85% | 0.846 | 74% | 0.741 | S | S | * | * | | | trans | -73.1 | 79.8 | 166.1 | -49.6 | 176.9 | 0 | 0 | 0 | 107.3 | G719 S723 | G719-I721 VanDerWaalsContact C-N 3.3Å; G719-I721 PolarHBondContact O-N 3.29Å; I721-S723 PolarHBondContact O-N 3.5Å |
| 722 | S | 27.3 | Very low | 28.8 | Very low | 67 Ų | 67 | 126.4 Ų | 126.4 | 47% | 0.469 | 74% | 0.74 | S | S | . | * | | | trans | -55.4 | 126.8 | 169 | 169.2 | 0 | 0 | 0 | 0 | 109.2 | Y720 S724 | Y720-S722 PolarHBondContact O-N 3.28Å; S722-S724 PolarHBondContact O-N 3.33Å; S722-S724 VanDerWaalsContact O-O 3.13Å; S722-S724 PolarHBondContact OG-N 2.95Å; S722-S724 PolarHBondContact OG-O 2.92Å; S722-S724 PolarHBondContact OG-OG 2.78Å |
| 723 | S | 31.2 | Very low | 28.8 | Very low | 113 Ų | 113 | 125.8 Ų | 125.8 | 79% | 0.79 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -72.2 | -10.6 | 177.3 | 55.1 | 0 | 0 | 0 | 0 | 113.4 | I721 | I721-S723 PolarHBondContact O-N 3.5Š|
| 724 | S | 30.6 | Very low | 28.7 | Very low | 76 Ų | 76 | 124.2 Ų | 124.2 | 53% | 0.531 | 73% | 0.733 | S | S | . | * | S | Bend | trans | -87.7 | 130.8 | 159.3 | 55 | 0 | 0 | 0 | 0 | 109 | S722 A726 | S722-S724 PolarHBondContact O-N 3.33Å; S722-S724 VanDerWaalsContact O-O 3.13Å; S722-S724 PolarHBondContact OG-N 2.95Å; S722-S724 PolarHBondContact OG-O 2.92Å; S722-S724 PolarHBondContact OG-OG 2.78Å; S724-A726 PolarHBondContact O-N 2.83Å |
| 725 | G | 27.5 | Very low | 28.7 | Very low | 86 Ų | 86 | 126.6 Ų | 126.6 | 89% | 0.887 | 73% | 0.73 | S | S | * | * | | | trans | -71.6 | 49.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | T727 | G725-T727 PolarHBondContact O-N 2.83Š|
| 726 | A | 26.3 | Very low | 28.5 | Very low | 74 Ų | 74 | 126.8 Ų | 126.8 | 61% | 0.612 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 117.4 | 168.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | S724 | S724-A726 PolarHBondContact O-N 2.83Š|
| 727 | T | 31.1 | Very low | 28.7 | Very low | 124 Ų | 124 | 121.6 Ų | 121.6 | 76% | 0.761 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -50.5 | 138.6 | 167.9 | -23.2 | 0 | 0 | 0 | 0 | 108.8 | G725 G729 | G725-T727 PolarHBondContact O-N 2.83Å; T727-G729 PolarHBondContact O-N 2.86Å |
| 728 | P | 33.8 | Very low | 28.6 | Very low | 121 Ų | 121 | 119.4 Ų | 119.4 | 79% | 0.786 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -52.2 | 120.2 | 176.1 | -25.9 | 34.7 | 0 | 0 | 0 | 109.3 | E730 | P728-E730 PolarHBondContact O-N 3.45Š|
| 729 | G | 29 | Very low | 28.5 | Very low | 60 Ų | 60 | 121.3 Ų | 121.3 | 62% | 0.619 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 134.6 | -172.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | T727 T731 | T727-G729 PolarHBondContact O-N 2.86Å; G729-T731 PolarHBondContact O-N 3.09Å |
| 730 | E | 27.7 | Very low | 28.7 | Very low | 187 Ų | 187 | 126.6 Ų | 126.6 | 87% | 0.874 | 73% | 0.731 | S | S | * | * | | | trans | -66.1 | 72.9 | 168.2 | -66.4 | 177.6 | 168.2 | 0 | 0 | 109.1 | P728 N732 | P728-E730 PolarHBondContact O-N 3.45Å; E730-N732 PolarHBondContact O-N 3.26Å |
| 731 | T | 27 | Very low | 28.7 | Very low | 117 Ų | 117 | 126.7 Ų | 126.7 | 72% | 0.718 | 73% | 0.732 | S | S | * | * | | | trans | -67.3 | 94.3 | 164.8 | 54 | 0 | 0 | 0 | 0 | 106.3 | G729 V733 | G729-T731 PolarHBondContact O-N 3.09Å; T731-V733 WeakPolarHBondContact O-CG2 3.23Å; T731-V733 PolarHBondContact O-N 2.72Å |
| 732 | N | 26.6 | Very low | 28.8 | Very low | 146 Ų | 146 | 124.4 Ų | 124.4 | 78% | 0.781 | 73% | 0.727 | S | S | * | * | | | trans | -55.8 | 93.9 | 162.9 | -86.8 | -34.7 | 0 | 0 | 0 | 107.4 | E730 N734 | E730-N732 PolarHBondContact O-N 3.26Å; N732-N734 PolarHBondContact O-N 3.14Å |
| 733 | V | 29.8 | Very low | 29 | Very low | 98 Ų | 98 | 130.1 Ų | 130.1 | 59% | 0.594 | 74% | 0.744 | S | S | * | * | | | trans | -69.9 | 88.9 | 173.6 | -176.5 | 0 | 0 | 0 | 0 | 105.6 | T731 F735 | T731-V733 WeakPolarHBondContact O-CG2 3.23Å; T731-V733 PolarHBondContact O-N 2.72Å; V733-F735 VanDerWaalsContact C-N 3.33Å; V733-F735 VanDerWaalsContact O-CD2 3.23Å; V733-F735 WeakPolarHBondContact O-CD2 3.49Å; V733-F735 PolarHBondContact O-N 3.5Å |
| 734 | N | 25.4 | Very low | 28.7 | Very low | 146 Ų | 146 | 129.6 Ų | 129.6 | 78% | 0.781 | 74% | 0.741 | S | S | * | * | | | trans | -58 | 100.5 | 172.6 | -99.5 | -31.4 | 0 | 0 | 0 | 107.8 | N732 K736 | N732-N734 PolarHBondContact O-N 3.14Å; N734-K736 PolarHBondContact O-N 3.44Å |
| 735 | F | 27.3 | Very low | 28.5 | Very low | 170 Ų | 170 | 136.8 Ų | 136.8 | 75% | 0.746 | 76% | 0.756 | S | S | * | * | | | trans | -65.9 | 83 | 172.5 | -74.8 | -84.2 | 0 | 0 | 0 | 108.6 | V733 T737 | V733-F735 VanDerWaalsContact C-N 3.33Å; V733-F735 VanDerWaalsContact O-CD2 3.23Å; V733-F735 WeakPolarHBondContact O-CD2 3.49Å; V733-F735 PolarHBondContact O-N 3.5Å; F735-T737 HydrophobicContact CB-CG2 4.39Å; F735-T737 PolarHBondContact O-N 2.76Å |
| 736 | K | 27 | Very low | 28.5 | Very low | 194 Ų | 194 | 138 Ų | 138 | 84% | 0.843 | 75% | 0.751 | S | S | * | * | | | trans | -70.5 | 74 | 158.9 | -76 | -168.6 | 175.9 | -175.7 | 0 | 108.2 | N734 S738 | N734-K736 PolarHBondContact O-N 3.44Å; K736-S738 PolarHBondContact O-N 2.81Å |
| 737 | T | 28.5 | Very low | 28.7 | Very low | 117 Ų | 117 | 139.5 Ų | 139.5 | 72% | 0.718 | 75% | 0.749 | S | S | * | * | | | trans | -70.1 | 65 | 164.5 | 42.8 | 0 | 0 | 0 | 0 | 109.2 | F735 P739 | F735-T737 HydrophobicContact CB-CG2 4.39Å; F735-T737 PolarHBondContact O-N 2.76Å; T737-P739 VanDerWaalsContact O-CD 3.29Å; T737-P739 WeakPolarHBondContact O-CD 3.35Å |
| 738 | S | 26.7 | Very low | 29.1 | Very low | 78 Ų | 78 | 143.1 Ų | 143.1 | 55% | 0.545 | 76% | 0.757 | S | S | . | * | | | trans | -63.8 | 120.7 | 159.3 | 60.8 | 0 | 0 | 0 | 0 | 106.9 | K736 K740 | K736-S738 PolarHBondContact O-N 2.81Å; S738-K740 PolarHBondContact O-N 2.73Å |
| 739 | P | 30.4 | Very low | 29.2 | Very low | 132 Ų | 132 | 144.4 Ų | 144.4 | 86% | 0.857 | 76% | 0.757 | S | S | * | * | | | trans | -71.4 | 81.2 | 178.9 | 29.5 | -34.4 | 0 | 0 | 0 | 109.7 | T737 Y741 | T737-P739 VanDerWaalsContact O-CD 3.29Å; T737-P739 WeakPolarHBondContact O-CD 3.35Å; P739-Y741 VanDerWaalsContact C-N 3.32Å; P739-Y741 PolarHBondContact O-N 3.49Å |
| 740 | K | 31.4 | Very low | 29.2 | Very low | 179 Ų | 179 | 144.5 Ų | 144.5 | 78% | 0.778 | 76% | 0.759 | S | S | * | * | | | trans | -76.9 | 88 | 171.4 | -86 | -169.5 | 172.6 | -174.8 | 0 | 109.1 | S738 | S738-K740 PolarHBondContact O-N 2.73Š|
| 741 | Y | 27.6 | Very low | 29.3 | Very low | 211 Ų | 211 | 140.5 Ų | 140.5 | 83% | 0.827 | 75% | 0.747 | S | S | * | * | | | trans | 59.8 | 123.5 | 166 | -67.5 | -90.2 | 0 | 0 | 0 | 116.4 | P739 F743 | P739-Y741 VanDerWaalsContact C-N 3.32Å; P739-Y741 PolarHBondContact O-N 3.49Å; Y741-F743 PolarHBondContact O-N 3.23Å |
| 742 | P | 32.5 | Very low | 29.4 | Very low | 117 Ų | 117 | 140.8 Ų | 140.8 | 76% | 0.76 | 75% | 0.748 | S | S | * | * | | | trans | -61.9 | 126.9 | 169.1 | 27.4 | -32.6 | 0 | 0 | 0 | 109.2 | S744 | P742-S744 PolarHBondContact O-N 3.28Š|
| 743 | F | 31.9 | Very low | 29.6 | Very low | 186 Ų | 186 | 139.9 Ų | 139.9 | 82% | 0.816 | 75% | 0.748 | S | S | * | * | | | trans | -72.5 | 100.3 | 179.9 | -164 | -91.6 | 0 | 0 | 0 | 109.2 | Y741 W745 | Y741-F743 PolarHBondContact O-N 3.23Å; F743-W745 PolarHBondContact O-N 3.03Å |
| 744 | S | 25.1 | Very low | 29.6 | Very low | 103 Ų | 103 | 142 Ų | 142 | 72% | 0.72 | 76% | 0.755 | S | S | * | * | | | trans | -75.9 | 116 | -176.7 | -55.1 | 0 | 0 | 0 | 0 | 111.1 | P742 S746 | P742-S744 PolarHBondContact O-N 3.28Å; S744-S746 PolarHBondContact O-N 3.06Å |
| 745 | W | 27 | Very low | 29.7 | Very low | 226 Ų | 226 | 138.5 Ų | 138.5 | 86% | 0.856 | 75% | 0.754 | S | S | * | * | | | trans | -76.6 | 111.2 | 163.6 | -80.2 | 66.4 | 0 | 0 | 0 | 108.9 | F743 | F743-W745 PolarHBondContact O-N 3.03Š|
| 746 | S | 25.6 | Very low | 29.9 | Very low | 113 Ų | 113 | 138.9 Ų | 138.9 | 79% | 0.79 | 76% | 0.755 | S | S | * | * | | | trans | -89.8 | 95.6 | 167.1 | 53.9 | 0 | 0 | 0 | 0 | 109.2 | S744 | S744-S746 PolarHBondContact O-N 3.06Š|
| 747 | N | 31.6 | Very low | 30 | Very low | 104 Ų | 104 | 134.6 Ų | 134.6 | 56% | 0.556 | 76% | 0.755 | S | S | * | * | | | trans | -69.9 | 141 | 159.3 | 47.1 | -12.5 | 0 | 0 | 0 | 109.2 | N749 G750 | N747-N749 PolarHBondContact O-N 2.81Å; N747-G750 PolarHBondContact O-N 2.97Å |
| 748 | E | 39.8 | Very low | 29.9 | Very low | 200 Ų | 200 | 135.1 Ų | 135.1 | 94% | 0.935 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.9 | -17.2 | -162.8 | -64.5 | -178.2 | 141.6 | 0 | 0 | 114.9 | | |
| 749 | N | 34.4 | Very low | 30.1 | Very low | 148 Ų | 148 | 139 Ų | 139 | 79% | 0.791 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.8 | 7.9 | 179.5 | -65.3 | -7.5 | 0 | 0 | 0 | 114.4 | N747 V751 | N747-N749 PolarHBondContact O-N 2.81Å; N749-V751 VanDerWaalsContact C-N 3.26Å; N749-V751 PolarHBondContact O-N 3.33Å |
| 750 | G | 29.2 | Very low | 29.9 | Very low | 63 Ų | 63 | 135.6 Ų | 135.6 | 65% | 0.649 | 76% | 0.762 | S | S | * | * | | | trans | 70 | 3.2 | 161.8 | 0 | 0 | 0 | 0 | 0 | 117.8 | N747 T752 | N747-G750 PolarHBondContact O-N 2.97Å; G750-T752 PolarHBondContact O-N 3.25Å |
| 751 | V | 30.6 | Very low | 29.7 | Very low | 103 Ų | 103 | 137.6 Ų | 137.6 | 62% | 0.624 | 77% | 0.766 | S | S | * | * | | | trans | -89.4 | 101.7 | 178.5 | -178.2 | 0 | 0 | 0 | 0 | 110.5 | N749 T753 | N749-V751 VanDerWaalsContact C-N 3.26Å; N749-V751 PolarHBondContact O-N 3.33Å; V751-T753 PolarHBondContact O-N 3.28Å |
| 752 | T | 29.8 | Very low | 29.7 | Very low | 122 Ų | 122 | 135.3 Ų | 135.3 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | | | trans | -74.1 | 90.2 | 177.2 | 52 | 0 | 0 | 0 | 0 | 112 | G750 I754 | G750-T752 PolarHBondContact O-N 3.25Å; T752-I754 PolarHBondContact O-N 3.48Å; T752-I754 VanDerWaalsContact O-N 3.12Å |
| 753 | T | 29.6 | Very low | 29.5 | Very low | 127 Ų | 127 | 136.9 Ų | 136.9 | 78% | 0.779 | 77% | 0.77 | S | S | * | * | | | trans | -75.5 | 98.6 | 169.8 | -52.9 | 0 | 0 | 0 | 0 | 110.1 | V751 G755 | V751-T753 PolarHBondContact O-N 3.28Å; T753-G755 PolarHBondContact O-N 3.33Å |
| 754 | I | 31.1 | Very low | 29.4 | Very low | 143 Ų | 143 | 136 Ų | 136 | 73% | 0.733 | 77% | 0.769 | S | S | * | * | | | trans | -70.8 | 96 | 173.4 | -58.4 | 174.5 | 0 | 0 | 0 | 108.7 | T752 K756 | T752-I754 PolarHBondContact O-N 3.48Å; T752-I754 VanDerWaalsContact O-N 3.12Å; I754-K756 HydrophobicContact CG2-CG 4.49Å; I754-K756 PolarHBondContact O-N 3.06Å |
| 755 | G | 25.7 | Very low | 29.5 | Very low | 73 Ų | 73 | 141.3 Ų | 141.3 | 75% | 0.753 | 77% | 0.774 | S | S | * | * | | | trans | -66 | 89.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | T753 | T753-G755 PolarHBondContact O-N 3.33Š|
| 756 | K | 31.6 | Very low | 29.6 | Very low | 178 Ų | 178 | 135.9 Ų | 135.9 | 77% | 0.774 | 77% | 0.771 | S | S | * | * | | | trans | -69.6 | 133.4 | 164.8 | -76.7 | -174.5 | 176.7 | 178.8 | 0 | 109 | I754 V758 | I754-K756 HydrophobicContact CG2-CG 4.49Å; I754-K756 PolarHBondContact O-N 3.06Å; K756-V758 PolarHBondContact O-N 2.79Å; K756-V758 VanDerWaalsContact O-N 3.09Å |
| 757 | A | 29 | Very low | 29.8 | Very low | 103 Ų | 103 | 140 Ų | 140 | 85% | 0.851 | 78% | 0.775 | S | S | * | * | | | trans | -66.9 | 107.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | N759 | A757-N759 PolarHBondContact O-N 2.89Š|
| 758 | V | 28.1 | Very low | 29.7 | Very low | 128 Ų | 128 | 143.5 Ų | 143.5 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | | | trans | -86 | 95.4 | 174.7 | -178.2 | 0 | 0 | 0 | 0 | 108.3 | K756 | K756-V758 PolarHBondContact O-N 2.79Å; K756-V758 VanDerWaalsContact O-N 3.09Å |
| 759 | N | 30 | Very low | 29.3 | Very low | 160 Ų | 160 | 139.9 Ų | 139.9 | 86% | 0.856 | 77% | 0.774 | S | S | * | * | | | trans | -64.7 | 132.4 | 155.3 | -81.6 | -16.7 | 0 | 0 | 0 | 107.5 | A757 | A757-N759 PolarHBondContact O-N 2.89Š|
| 760 | G | 25.5 | Very low | 29 | Very low | 61 Ų | 61 | 140.4 Ų | 140.4 | 63% | 0.629 | 78% | 0.776 | S | S | * | * | | | trans | -65.4 | 143.4 | -158.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 761 | Y | 29 | Very low | 29 | Very low | 220 Ų | 220 | 146.6 Ų | 146.6 | 86% | 0.863 | 78% | 0.781 | S | S | * | * | | | trans | -150.6 | 124 | 136.1 | -96.3 | -74 | 0 | 0 | 0 | 107.1 | N763 | Y761-N763 PolarHBondContact O-N 2.84Å; Y761-N763 VanDerWaalsContact O-N 3.14Å |
| 762 | D | 27.4 | Very low | 29.1 | Very low | 163 Ų | 163 | 147 Ų | 147 | 87% | 0.872 | 79% | 0.787 | S | S | * | * | | | trans | -68.3 | 107.2 | 170.5 | -61 | -56.8 | 0 | 0 | 0 | 108.2 | | |
| 763 | N | 28.7 | Very low | 29.4 | Very low | 151 Ų | 151 | 147.5 Ų | 147.5 | 81% | 0.807 | 79% | 0.792 | S | S | * | * | | | trans | -125.5 | 105.1 | 168.8 | -102.1 | -22.7 | 0 | 0 | 0 | 108.7 | Y761 | Y761-N763 PolarHBondContact O-N 2.84Å; Y761-N763 VanDerWaalsContact O-N 3.14Å |
| 764 | E | 28.3 | Very low | 29.5 | Very low | 167 Ų | 167 | 146.2 Ų | 146.2 | 78% | 0.78 | 79% | 0.788 | S | S | * | * | | | trans | -63.3 | 150.2 | 179.6 | -56.2 | -179 | 141 | 0 | 0 | 111.8 | | |
| 765 | Y | 27.8 | Very low | 29.6 | Very low | 214 Ų | 214 | 147.4 Ų | 147.4 | 84% | 0.839 | 80% | 0.795 | S | S | * | * | | | trans | 43.9 | 85.4 | 162.6 | -58.6 | -69.7 | 0 | 0 | 0 | 118.8 | | |
| 766 | S | 28.9 | Very low | 29.9 | Very low | 112 Ų | 112 | 154.1 Ų | 154.1 | 78% | 0.783 | 80% | 0.799 | S | S | * | * | | | trans | -125.5 | 97.2 | 145.6 | 35.3 | 0 | 0 | 0 | 0 | 110.7 | Q768 | S766-Q768 VanDerWaalsContact C-N 3.28Å; S766-Q768 PolarHBondContact O-N 3.31Å |
| 767 | K | 29.6 | Very low | 29.8 | Very low | 199 Ų | 199 | 151.7 Ų | 151.7 | 87% | 0.865 | 80% | 0.799 | S | S | * | * | | | trans | -67.2 | 84 | 169.4 | -76 | -178.2 | 176.6 | 177.2 | 0 | 109.3 | I769 | K767-I769 PolarHBondContact O-N 3.04Š|
| 768 | Q | 28.9 | Very low | 30 | Very low | 178 Ų | 178 | 152.3 Ų | 152.3 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | | | trans | -79.4 | 104.9 | 174.6 | -157.9 | 166.9 | 30.5 | 0 | 0 | 109.6 | S766 N770 | S766-Q768 VanDerWaalsContact C-N 3.28Å; S766-Q768 PolarHBondContact O-N 3.31Å; Q768-N770 PolarHBondContact O-N 3.05Å |
| 769 | I | 31.6 | Very low | 30 | Very low | 125 Ų | 125 | 156.6 Ų | 156.6 | 64% | 0.641 | 80% | 0.8 | S | S | * | * | | | trans | -67.3 | 118.8 | 177.9 | -65.2 | 168.7 | 0 | 0 | 0 | 108.4 | K767 Y771 | K767-I769 PolarHBondContact O-N 3.04Å; I769-Y771 HydrophobicContact CG2-CE2 4.37Å; I769-Y771 PolarHBondContact O-N 2.76Å; I769-Y771 VanDerWaalsContact O-N 3.14Å |
| 770 | N | 29.6 | Very low | 30.2 | Very low | 158 Ų | 158 | 154.7 Ų | 154.7 | 85% | 0.845 | 80% | 0.796 | S | S | * | * | | | trans | -71.5 | 103.6 | 174.7 | -79.1 | -35.9 | 0 | 0 | 0 | 110 | Q768 | Q768-N770 PolarHBondContact O-N 3.05Š|
| 771 | Y | 28.4 | Very low | 30.6 | Very low | 193 Ų | 193 | 159.6 Ų | 159.6 | 76% | 0.757 | 81% | 0.806 | S | S | * | * | | | trans | -75.6 | 130.3 | 162.9 | -70.1 | -83.5 | 0 | 0 | 0 | 109.4 | I769 | I769-Y771 HydrophobicContact CG2-CE2 4.37Å; I769-Y771 PolarHBondContact O-N 2.76Å; I769-Y771 VanDerWaalsContact O-N 3.14Å |
| 772 | P | 33.5 | Very low | 30.7 | Very low | 113 Ų | 113 | 159.7 Ų | 159.7 | 73% | 0.734 | 81% | 0.805 | S | S | * | * | | | trans | -66.7 | 130.6 | 176 | 26.9 | -32.9 | 0 | 0 | 0 | 109.9 | S774 | P772-S774 PolarHBondContact O-N 3Š|
| 773 | P | 35.5 | Very low | 31 | Very low | 132 Ų | 132 | 157.5 Ų | 157.5 | 86% | 0.857 | 80% | 0.799 | S | S | * | * | | | trans | -68.7 | 105.2 | 177.8 | -16 | 29.6 | 0 | 0 | 0 | 110.4 | | |
| 774 | S | 32.1 | Very low | 31.3 | Very low | 99 Ų | 99 | 160.1 Ų | 160.1 | 69% | 0.692 | 80% | 0.804 | S | S | * | * | | | trans | -70.4 | 134.7 | 172.4 | 54.2 | 0 | 0 | 0 | 0 | 110.8 | P772 Y776 | P772-S774 PolarHBondContact O-N 3Å; S774-Y776 PolarHBondContact O-N 3.45Å |
| 775 | L | 32.5 | Very low | 31.4 | Very low | 168 Ų | 168 | 162.5 Ų | 162.5 | 88% | 0.88 | 81% | 0.807 | S | S | * | * | | | trans | -44.1 | 101.3 | 178.8 | -65.8 | 155.5 | 0 | 0 | 0 | 113.6 | | |
| 776 | Y | 31.8 | Very low | 31.6 | Very low | 215 Ų | 215 | 159.7 Ų | 159.7 | 84% | 0.843 | 81% | 0.806 | S | S | * | * | | | trans | -133.2 | 103.2 | 159.6 | -93 | -81.8 | 0 | 0 | 0 | 110.8 | S774 S778 | S774-Y776 PolarHBondContact O-N 3.45Å; Y776-S778 PolarHBondContact O-N 3.06Å |
| 777 | T | 30.3 | Very low | 31.7 | Very low | 127 Ų | 127 | 165.3 Ų | 165.3 | 78% | 0.779 | 81% | 0.81 | S | S | * | * | | | trans | -75.8 | 97.1 | 174.6 | 50.7 | 0 | 0 | 0 | 0 | 110.3 | W779 | T777-W779 PolarHBondContact O-N 3.13Š|
| 778 | S | 31.9 | Very low | 31.9 | Very low | 116 Ų | 116 | 166.3 Ų | 166.3 | 81% | 0.811 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 118.5 | 167.9 | 49.3 | 0 | 0 | 0 | 0 | 110.1 | Y776 | Y776-S778 PolarHBondContact O-N 3.06Š|
| 779 | W | 28.3 | Very low | 32.2 | Very low | 218 Ų | 218 | 163.6 Ų | 163.6 | 83% | 0.826 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 142.7 | 176.5 | -90.6 | 28.2 | 0 | 0 | 0 | 111.5 | T777 I781 | T777-W779 PolarHBondContact O-N 3.13Å; W779-I781 PolarHBondContact O-N 2.88Å |
| 780 | P | 35 | Very low | 32.3 | Very low | 119 Ų | 119 | 162.7 Ų | 162.7 | 77% | 0.773 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 125.3 | 179.5 | 26.6 | -33.5 | 0 | 0 | 0 | 111.5 | R782 | P780-R782 PolarHBondContact O-N 2.83Š|
| 781 | I | 34.2 | Very low | 32.5 | Very low | 164 Ų | 164 | 161 Ų | 161 | 84% | 0.841 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 120.7 | 177.9 | -63 | 169.9 | 0 | 0 | 0 | 109.1 | W779 P783 | W779-I781 PolarHBondContact O-N 2.88Å; I781-P783 WeakPolarHBondContact O-CD 3.26Å |
| 782 | R | 30.8 | Very low | 32.8 | Very low | 222 Ų | 222 | 157.4 Ų | 157.4 | 84% | 0.838 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 121.3 | 179.2 | -65.1 | -176.9 | -178.8 | -171.2 | 0.6 | 110.6 | P780 K784 | P780-R782 PolarHBondContact O-N 2.83Å; R782-K784 PolarHBondContact O-N 3.11Å |
| 783 | P | 34 | Very low | 32.7 | Very low | 117 Ų | 117 | 157.8 Ų | 157.8 | 76% | 0.76 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 130.6 | 170.4 | -18.7 | 32.6 | 0 | 0 | 0 | 110.2 | I781 Y785 | I781-P783 WeakPolarHBondContact O-CD 3.26Å; P783-Y785 PolarHBondContact O-N 2.88Å |
| 784 | K | 33.9 | Very low | 32.4 | Very low | 207 Ų | 207 | 160.8 Ų | 160.8 | 90% | 0.9 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 125.5 | 175 | -79.8 | -177.8 | 175.7 | 177.6 | 0 | 110.2 | R782 N786 | R782-K784 PolarHBondContact O-N 3.11Å; K784-N786 PolarHBondContact O-N 2.97Å |
| 785 | Y | 30.3 | Very low | 32.5 | Very low | 216 Ų | 216 | 164.2 Ų | 164.2 | 85% | 0.847 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 120.9 | 171.2 | -62 | -95.6 | 0 | 0 | 0 | 111.5 | P783 | P783-Y785 PolarHBondContact O-N 2.88Š|
| 786 | N | 33.4 | Very low | 32.4 | Very low | 155 Ų | 155 | 161.7 Ų | 161.7 | 83% | 0.829 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -103.8 | 121.3 | 154.9 | -92 | -14.7 | 0 | 0 | 0 | 108.6 | K784 | K784-N786 PolarHBondContact O-N 2.97Š|
| 787 | R | 30 | Very low | 32.3 | Very low | 230 Ų | 230 | 158.4 Ų | 158.4 | 87% | 0.868 | 81% | 0.812 | S | S | * | * | | | trans | -83.1 | 114.7 | -175.7 | -56.2 | 174.8 | -171.9 | 174.7 | 1.5 | 109.3 | | |
| 788 | Y | 34.8 | Very low | 32.2 | Very low | 221 Ų | 221 | 158.1 Ų | 158.1 | 87% | 0.867 | 81% | 0.806 | S | S | * | * | | | trans | -129.5 | 102 | 152.5 | -79 | -74.3 | 0 | 0 | 0 | 108 | | |
| 789 | S | 33.4 | Very low | 32 | Very low | 120 Ų | 120 | 160 Ų | 160 | 84% | 0.839 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 133.2 | -178 | 43.5 | 0 | 0 | 0 | 0 | 111.2 | | |
| 790 | S | 34.9 | Very low | 32.2 | Very low | 107 Ų | 107 | 157.6 Ų | 157.6 | 75% | 0.748 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 145.3 | -178.1 | -44 | 0 | 0 | 0 | 0 | 112.4 | | |
| 791 | P | 33.1 | Very low | 31.8 | Very low | 122 Ų | 122 | 155.2 Ų | 155.2 | 79% | 0.792 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 134.3 | 174.7 | 28.4 | -33.4 | 0 | 0 | 0 | 111.5 | | |
| 792 | P | 35.2 | Very low | 31.7 | Very low | 118 Ų | 118 | 154.8 Ų | 154.8 | 77% | 0.766 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 166.1 | -179 | 31 | -34.6 | 0 | 0 | 0 | 113.9 | | |
| 793 | P | 32.3 | Very low | 31.5 | Very low | 121 Ų | 121 | 151.5 Ų | 151.5 | 79% | 0.786 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -93.2 | 153.9 | -157.9 | -4.1 | 24.7 | 0 | 0 | 0 | 114.9 | | |
| 794 | Q | 28.5 | Very low | 31.5 | Very low | 195 Ų | 195 | 153.8 Ų | 153.8 | 91% | 0.911 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -68 | 136.8 | 168.3 | -71.2 | 178.2 | -38.1 | 0 | 0 | 111.3 | | |
| 795 | Q | 34.6 | Very low | 31.1 | Very low | 170 Ų | 170 | 151.1 Ų | 151.1 | 79% | 0.794 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 146.8 | 175 | -74.4 | -174.9 | -7.9 | 0 | 0 | 112.4 | | |
| 796 | T | 28.8 | Very low | 30.9 | Very low | 115 Ų | 115 | 150.3 Ų | 150.3 | 71% | 0.706 | 80% | 0.801 | S | S | * | * | | | trans | -110.5 | 170.7 | 170.6 | 43.9 | 0 | 0 | 0 | 0 | 110 | | |
| 797 | L | 30.2 | Very low | 30.7 | Very low | 146 Ų | 146 | 150.8 Ų | 150.8 | 76% | 0.764 | 80% | 0.804 | S | S | * | * | | | trans | 75.8 | 150.4 | 179.6 | -68.1 | 94.2 | 0 | 0 | 0 | 116.1 | | |
| 798 | N | 29.6 | Very low | 30.4 | Very low | 122 Ų | 122 | 145.6 Ų | 145.6 | 65% | 0.652 | 80% | 0.801 | S | S | * | * | | | cis | -167.6 | 163 | -31 | -105.5 | -4.2 | 0 | 0 | 0 | 107.6 | | |
| 799 | H | 27.1 | Very low | 30.2 | Very low | 155 Ų | 155 | 140.1 Ų | 140.1 | 72% | 0.718 | 80% | 0.796 | S | S | * | * | | | trans | 13.2 | 124.6 | 154.7 | -54.1 | -66.5 | 0 | 0 | 0 | 118.7 | | |
| 800 | D | 31.7 | Very low | 29.8 | Very low | 167 Ų | 167 | 141.2 Ų | 141.2 | 89% | 0.893 | 80% | 0.797 | S | S | * | * | | | | -174 | 170.2 | 80.4 | -86.9 | -39.2 | 0 | 0 | 0 | 111.3 | | |
| 801 | G | 27.8 | Very low | 29.8 | Very low | 70 Ų | 70 | 141.9 Ų | 141.9 | 72% | 0.722 | 80% | 0.797 | S | S | * | * | | | trans | 111.5 | 78.7 | 155 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 802 | D | 31.6 | Very low | 29.5 | Very low | 155 Ų | 155 | 143.3 Ų | 143.3 | 83% | 0.829 | 80% | 0.798 | S | S | * | * | | | trans | 40.8 | 116.9 | 136.8 | -58.3 | -35.1 | 0 | 0 | 0 | 122.8 | | |
| 803 | N | 27.2 | Very low | 29.2 | Very low | 152 Ų | 152 | 146.1 Ų | 146.1 | 81% | 0.813 | 80% | 0.801 | S | S | * | * | | | trans | -5 | 127.4 | 139.7 | -65.3 | -52.3 | 0 | 0 | 0 | 117.6 | | |
| 804 | I | 32.5 | Very low | 28.9 | Very low | 166 Ų | 166 | 146.4 Ų | 146.4 | 85% | 0.851 | 80% | 0.8 | S | S | * | * | | | | -154.8 | 136.9 | 129.3 | -95.8 | 137.8 | 0 | 0 | 0 | 110.3 | | |
| 805 | N | 26.8 | Very low | 28.7 | Very low | 150 Ų | 150 | 141.5 Ų | 141.5 | 80% | 0.802 | 79% | 0.793 | S | S | * | * | | | trans | 3.2 | 131.4 | 171.4 | -71.4 | -24.8 | 0 | 0 | 0 | 122.4 | | |
| 806 | F | 24.9 | Very low | 28.5 | Very low | 200 Ų | 200 | 140.9 Ų | 140.9 | 88% | 0.877 | 79% | 0.794 | S | S | * | * | | | trans | -44 | 135.6 | 148 | -72 | -104.8 | 0 | 0 | 0 | 113 | | |
| 807 | N | 29.6 | Very low | 28.3 | Very low | 165 Ų | 165 | 142.4 Ų | 142.4 | 88% | 0.882 | 80% | 0.796 | S | S | * | * | | | trans | -150.8 | 145.1 | 134 | -138.5 | -10.9 | 0 | 0 | 0 | 111.3 | | |
| 808 | C | 23.2 | Very low | 28.1 | Very low | 120 Ų | 120 | 143 Ų | 143 | 81% | 0.811 | 80% | 0.8 | S | S | * | * | | | trans | -86.5 | 133.6 | -174.5 | -68.8 | 0 | 0 | 0 | 0 | 112.6 | | |
| 809 | S | 30.7 | Very low | 28.1 | Very low | 107 Ų | 107 | 142.4 Ų | 142.4 | 75% | 0.748 | 80% | 0.803 | S | S | * | * | | | trans | -157.8 | 115.9 | 145.4 | 58.3 | 0 | 0 | 0 | 0 | 110.7 | | |
| 810 | T | 26.5 | Very low | 28.3 | Very low | 143 Ų | 143 | 140.2 Ų | 140.2 | 88% | 0.877 | 81% | 0.805 | S | S | * | * | | | trans | -71.4 | 120.4 | 167.1 | 41.1 | 0 | 0 | 0 | 0 | 110.4 | | |
| 811 | T | 34 | Very low | 28.6 | Very low | 121 Ų | 121 | 139.2 Ų | 139.2 | 74% | 0.742 | 81% | 0.805 | S | S | * | * | | | trans | -146.9 | 121.2 | 160.2 | -32.9 | 0 | 0 | 0 | 0 | 109.7 | | |
| 812 | D | 26.2 | Very low | 28.6 | Very low | 152 Ų | 152 | 142.8 Ų | 142.8 | 81% | 0.813 | 81% | 0.807 | S | S | * | * | | | trans | -68.6 | 132.7 | 174.7 | -57.2 | -79 | 0 | 0 | 0 | 111.5 | | |
| 813 | Q | 30.1 | Very low | 28.6 | Very low | 177 Ų | 177 | 142.8 Ų | 142.8 | 83% | 0.827 | 81% | 0.807 | S | S | * | * | | | trans | -169.2 | 104.1 | 147 | -108.1 | 154.4 | 62 | 0 | 0 | 114.2 | | |
| 814 | T | 25.2 | Very low | 28.8 | Very low | 126 Ų | 126 | 139.7 Ų | 139.7 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | | | trans | 25.6 | 113 | 133.2 | 54.4 | 0 | 0 | 0 | 0 | 121.8 | | |
| 815 | A | 24.7 | Very low | 28.6 | Very low | 92 Ų | 92 | 142.3 Ų | 142.3 | 76% | 0.76 | 80% | 0.798 | S | S | * | * | | | | 70.4 | 165.6 | 127.2 | 0 | 0 | 0 | 0 | 0 | 121.7 | | |
| 816 | I | 29.6 | Very low | 28.9 | Very low | 157 Ų | 157 | 141.6 Ų | 141.6 | 81% | 0.805 | 80% | 0.799 | S | S | * | * | | | trans | 77.1 | 101.4 | -178.9 | -49 | 163.9 | 0 | 0 | 0 | 111.8 | | |
| 817 | I | 25.1 | Very low | 29.3 | Very low | 147 Ų | 147 | 137 Ų | 137 | 75% | 0.754 | 80% | 0.798 | S | S | * | * | | | cis | 66.8 | 99.2 | 48.4 | -49.2 | 175.5 | 0 | 0 | 0 | 113.8 | | |
| 818 | D | 26.8 | Very low | 29.4 | Very low | 159 Ų | 159 | 134 Ų | 134 | 85% | 0.85 | 80% | 0.796 | S | S | * | * | | | | -165.2 | 142 | 115.5 | -128.7 | -4.7 | 0 | 0 | 0 | 113.4 | | |
| 819 | P | 29 | Very low | 29.8 | Very low | 110 Ų | 110 | 137.6 Ų | 137.6 | 71% | 0.714 | 80% | 0.798 | S | S | * | * | | | trans | -114.1 | 150.5 | 177.3 | 38.6 | -28.3 | 0 | 0 | 0 | 113.7 | | |
| 820 | S | 31.4 | Very low | 30 | Very low | 108 Ų | 108 | 138.4 Ų | 138.4 | 76% | 0.755 | 80% | 0.801 | S | S | * | * | | | trans | -153.4 | 143.6 | 168 | 68.5 | 0 | 0 | 0 | 0 | 117.8 | | |
| 821 | T | 36.9 | Very low | 30.2 | Very low | 146 Ų | 146 | 139.1 Ų | 139.1 | 90% | 0.896 | 79% | 0.794 | S | S | * | * | | | trans | 76.8 | 127.1 | 162 | 63.6 | 0 | 0 | 0 | 0 | 121.3 | | |
| 822 | L | 28.6 | Very low | 30 | Very low | 146 Ų | 146 | 140.4 Ų | 140.4 | 76% | 0.764 | 80% | 0.795 | S | S | * | * | | | trans | -140.6 | 147 | 179 | 177.3 | 75.5 | 0 | 0 | 0 | 107.1 | | |
| 823 | N | 32.4 | Very low | 30.2 | Very low | 154 Ų | 154 | 142.9 Ų | 142.9 | 82% | 0.824 | 79% | 0.793 | S | S | * | * | | | trans | -140.7 | 172.6 | 176.1 | -105.4 | -34.8 | 0 | 0 | 0 | 113 | | |
| 824 | S | 31.7 | Very low | 30.2 | Very low | 88 Ų | 88 | 143.1 Ų | 143.1 | 62% | 0.615 | 79% | 0.792 | S | S | * | * | | | trans | -134.8 | 154.4 | -137.3 | -36.9 | 0 | 0 | 0 | 0 | 116.9 | | |
| 825 | Y | 28.3 | Very low | 30.5 | Very low | 220 Ų | 220 | 144 Ų | 144 | 86% | 0.863 | 79% | 0.79 | S | S | * | * | | | trans | 62 | 152.7 | 163.1 | -64 | -77 | 0 | 0 | 0 | 117 | | |
| 826 | T | 32.3 | Very low | 30.8 | Very low | 136 Ų | 136 | 146 Ų | 146 | 83% | 0.834 | 79% | 0.788 | S | S | * | * | | | cis | -152.4 | 153.2 | 24.9 | -37.6 | 0 | 0 | 0 | 0 | 110.9 | | |
| 827 | A | 32.4 | Very low | 30.8 | Very low | 102 Ų | 102 | 144.7 Ų | 144.7 | 84% | 0.843 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -96.8 | 133 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 828 | A | 33.4 | Very low | 31.2 | Very low | 102 Ų | 102 | 143.6 Ų | 143.6 | 84% | 0.843 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -98.6 | 146.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 829 | K | 31.4 | Very low | 31.3 | Very low | 197 Ų | 197 | 143.8 Ų | 143.8 | 86% | 0.857 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 149.5 | 175.3 | -88.8 | 178.3 | 173.4 | 175.3 | 0 | 111.9 | | |
| 830 | P | 35 | Very low | 31.3 | Very low | 124 Ų | 124 | 144.1 Ų | 144.1 | 81% | 0.805 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 120.3 | 176.4 | 31.4 | -33 | 0 | 0 | 0 | 111.8 | | |
| 831 | E | 29.3 | Very low | 31.2 | Very low | 158 Ų | 158 | 144.3 Ų | 144.3 | 74% | 0.738 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 127.1 | 168.2 | -69.7 | -178.1 | 142.9 | 0 | 0 | 110.9 | R833 | E831-R833 PolarHBondContact O-N 3.04Å; E831-R833 VanDerWaalsContact O-N 3.16Å |
| 832 | I | 31.6 | Very low | 30.9 | Very low | 148 Ų | 148 | 143.8 Ų | 143.8 | 76% | 0.759 | 79% | 0.793 | S | S | * | * | | | trans | -77.2 | 100.3 | 171.2 | -61.2 | 172.7 | 0 | 0 | 0 | 107.8 | F834 | I832-F834 PolarHBondContact O-N 2.89Š|
| 833 | R | 28.9 | Very low | 30.8 | Very low | 203 Ų | 203 | 140.2 Ų | 140.2 | 77% | 0.766 | 79% | 0.792 | S | S | * | * | | | trans | -79.2 | 114.6 | 175.2 | -62 | -177.2 | -173.5 | 175.5 | 3.4 | 109.6 | E831 I835 | E831-R833 PolarHBondContact O-N 3.04Å; E831-R833 VanDerWaalsContact O-N 3.16Å; R833-I835 PolarHBondContact O-N 3.14Å |
| 834 | F | 30.3 | Very low | 30.4 | Very low | 183 Ų | 183 | 139.7 Ų | 139.7 | 80% | 0.803 | 79% | 0.789 | S | S | * | * | | | trans | -67.9 | 119.7 | 166 | -72.2 | -92.4 | 0 | 0 | 0 | 108.5 | I832 D836 | I832-F834 PolarHBondContact O-N 2.89Å; F834-D836 PolarHBondContact O-N 3.16Å |
| 835 | I | 32.1 | Very low | 30.3 | Very low | 143 Ų | 143 | 144.9 Ų | 144.9 | 73% | 0.733 | 80% | 0.801 | S | S | * | * | | | trans | -90.2 | 87.9 | 177.1 | -54.7 | 178.3 | 0 | 0 | 0 | 107.6 | R833 T837 | R833-I835 PolarHBondContact O-N 3.14Å; I835-T837 HydrophobicContact CG2-CG2 4.11Å; I835-T837 PolarHBondContact O-N 2.85Å |
| 836 | D | 30.2 | Very low | 30.1 | Very low | 136 Ų | 136 | 141.8 Ų | 141.8 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | | | trans | -69.9 | 94.6 | 167.2 | -76.9 | -33.4 | 0 | 0 | 0 | 109.2 | F834 T838 | F834-D836 PolarHBondContact O-N 3.16Å; D836-T838 PolarHBondContact O-N 3.08Å |
| 837 | T | 31 | Very low | 29.9 | Very low | 129 Ų | 129 | 142.6 Ų | 142.6 | 79% | 0.791 | 80% | 0.798 | S | S | * | * | | | trans | -72.6 | 62.3 | 171.7 | 31.7 | 0 | 0 | 0 | 0 | 111.4 | I835 | I835-T837 HydrophobicContact CG2-CG2 4.11Å; I835-T837 PolarHBondContact O-N 2.85Å |
| 838 | T | 31.6 | Very low | 29.5 | Very low | 123 Ų | 123 | 145 Ų | 145 | 76% | 0.755 | 80% | 0.796 | S | S | * | * | | | trans | -75.4 | 136.6 | 162.2 | 52.1 | 0 | 0 | 0 | 0 | 109.5 | D836 S840 | D836-T838 PolarHBondContact O-N 3.08Å; T838-S840 PolarHBondContact O-N 3.01Å |
| 839 | L | 30.2 | Very low | 29.2 | Very low | 163 Ų | 163 | 145.4 Ų | 145.4 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | | | trans | -65.6 | 120.3 | -166.1 | -75.8 | 72.3 | 0 | 0 | 0 | 111.6 | S841 | L839-S841 PolarHBondContact O-N 2.91Š|
| 840 | S | 28.2 | Very low | 29 | Very low | 117 Ų | 117 | 143.6 Ų | 143.6 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | | | trans | -67.8 | 102.1 | 166.2 | 42 | 0 | 0 | 0 | 0 | 110.1 | T838 P842 | T838-S840 PolarHBondContact O-N 3.01Å; S840-P842 WeakPolarHBondContact O-CD 3.25Å |
| 841 | S | 30.5 | Very low | 28.8 | Very low | 112 Ų | 112 | 144.8 Ų | 144.8 | 78% | 0.783 | 79% | 0.791 | S | S | * | * | | | trans | -70.7 | 123.2 | 167.4 | -66.5 | 0 | 0 | 0 | 0 | 109.3 | L839 | L839-S841 PolarHBondContact O-N 2.91Š|
| 842 | P | 29.3 | Very low | 28.5 | Very low | 136 Ų | 136 | 144.3 Ų | 144.3 | 88% | 0.883 | 79% | 0.793 | S | S | * | * | | | trans | -85.6 | 115 | 177.7 | 32.5 | -30.3 | 0 | 0 | 0 | 110.1 | S840 | S840-P842 WeakPolarHBondContact O-CD 3.25Š|
| 843 | G | 25.9 | Very low | 28.5 | Very low | 71 Ų | 71 | 144.7 Ų | 144.7 | 73% | 0.732 | 80% | 0.795 | S | S | * | * | | | trans | -163.3 | 109.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 844 | N | 25.9 | Very low | 28.3 | Very low | 143 Ų | 143 | 141.7 Ų | 141.7 | 77% | 0.765 | 79% | 0.794 | S | S | * | * | | | trans | -29.4 | 141.1 | 168.4 | -57.9 | -28 | 0 | 0 | 0 | 115.2 | | |
| 845 | F | 29.2 | Very low | 28.2 | Very low | 197 Ų | 197 | 137.8 Ų | 137.8 | 86% | 0.864 | 79% | 0.785 | S | S | * | * | | | | -171.2 | 130.9 | 92.4 | -103.7 | -77.9 | 0 | 0 | 0 | 111.8 | | |
| 846 | N | 24.5 | Very low | 28.2 | Very low | 154 Ų | 154 | 138.5 Ų | 138.5 | 82% | 0.824 | 79% | 0.791 | S | S | * | * | | | trans | -71.4 | 134.1 | 159.3 | -92.4 | -28.1 | 0 | 0 | 0 | 108.7 | | |
| 847 | L | 27.5 | Very low | 28 | Very low | 154 Ų | 154 | 141.2 Ų | 141.2 | 81% | 0.806 | 80% | 0.796 | S | S | * | * | | | | -172.8 | 122.7 | 129.4 | -105.5 | 150.5 | 0 | 0 | 0 | 113.2 | | |
| 848 | N | 23.7 | Very low | 28.3 | Very low | 153 Ų | 153 | 140.8 Ų | 140.8 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | | | trans | -17.6 | 125 | 158.8 | -51.8 | -27 | 0 | 0 | 0 | 116.5 | | |
| 849 | S | 27.8 | Very low | 28.4 | Very low | 110 Ų | 110 | 140.3 Ų | 140.3 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | | | trans | -160.1 | 115.5 | 138.1 | -173.8 | 0 | 0 | 0 | 0 | 110.2 | | |
| 850 | I | 26 | Very low | 28.2 | Very low | 159 Ų | 159 | 138.2 Ų | 138.2 | 82% | 0.815 | 79% | 0.788 | S | S | * | * | | | trans | -77.3 | 124.2 | 167.9 | -66 | 159 | 0 | 0 | 0 | 106.8 | | |
| 851 | N | 30 | Very low | 28.2 | Very low | 149 Ų | 149 | 141.6 Ų | 141.6 | 80% | 0.797 | 79% | 0.788 | S | S | * | * | | | trans | -158 | 122.3 | 148.8 | -101.7 | -30.9 | 0 | 0 | 0 | 112.7 | | |
| 852 | N | 24.7 | Very low | 27.9 | Very low | 148 Ų | 148 | 140 Ų | 140 | 79% | 0.791 | 79% | 0.789 | S | S | * | * | | | trans | -64.5 | 129.3 | 162.5 | -78.7 | -53.4 | 0 | 0 | 0 | 110.1 | | |
| 853 | I | 31.3 | Very low | 28 | Very low | 155 Ų | 155 | 145.1 Ų | 145.1 | 80% | 0.795 | 79% | 0.791 | S | S | * | * | | | trans | -163.1 | 98.5 | 139.3 | -81.9 | 125.7 | 0 | 0 | 0 | 103.2 | | |
| 854 | N | 23.9 | Very low | 28.1 | Very low | 140 Ų | 140 | 146.3 Ų | 146.3 | 75% | 0.749 | 79% | 0.788 | S | S | * | * | | | | 67.4 | 138.4 | 72.1 | -145.4 | 5.5 | 0 | 0 | 0 | 113.7 | | |
| 855 | T | 28.5 | Very low | 28.3 | Very low | 102 Ų | 102 | 148.1 Ų | 148.1 | 63% | 0.626 | 80% | 0.797 | S | S | * | * | | | trans | 55.7 | 99.3 | 167.7 | 59.7 | 0 | 0 | 0 | 0 | 119.3 | | |
| 856 | N | 32.2 | Very low | 28.3 | Very low | 158 Ų | 158 | 146.2 Ų | 146.2 | 85% | 0.845 | 80% | 0.796 | S | S | * | * | | | | 179.4 | 147.7 | 88.3 | -88.6 | -43.3 | 0 | 0 | 0 | 113.5 | | |
| 857 | K | 26.5 | Very low | 28.4 | Very low | 193 Ų | 193 | 142.1 Ų | 142.1 | 84% | 0.839 | 79% | 0.79 | S | S | * | * | | | trans | -80.1 | 149.2 | -174.7 | -65.9 | 170.1 | 175.5 | 172.7 | 0 | 112.4 | | |
| 858 | P | 36.5 | Very low | 28.6 | Very low | 119 Ų | 119 | 143.2 Ų | 143.2 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | | | trans | -71.9 | 156 | 155.7 | 35.1 | -34.4 | 0 | 0 | 0 | 109.3 | | |
| 859 | P | 33.7 | Very low | 28.8 | Very low | 113 Ų | 113 | 145.9 Ų | 145.9 | 73% | 0.734 | 80% | 0.8 | S | S | * | * | | | | -157 | 155.9 | 102.4 | 40.4 | -21.4 | 0 | 0 | 0 | 117.9 | | |
| 860 | V | 26.6 | Very low | 29 | Very low | 120 Ų | 120 | 147.8 Ų | 147.8 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | | | | 83.6 | 114.1 | 129.6 | 159.7 | 0 | 0 | 0 | 0 | 122.7 | | |
| 861 | F | 28.8 | Very low | 29.2 | Very low | 187 Ų | 187 | 147.5 Ų | 147.5 | 82% | 0.82 | 80% | 0.8 | S | S | * | * | | | trans | 64.5 | 106 | 139.9 | -71.6 | -121.5 | 0 | 0 | 0 | 122.2 | | |
| 862 | G | 24.4 | Very low | 29.3 | Very low | 78 Ų | 78 | 148.7 Ų | 148.7 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | | | | 58.8 | 89 | 98.2 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 863 | R | 30.5 | Very low | 29.5 | Very low | 245 Ų | 245 | 147 Ų | 147 | 93% | 0.925 | 81% | 0.805 | S | S | * | * | | | trans | -150.9 | 148 | 156.5 | -59.7 | -176.4 | -178 | -166.7 | -0.5 | 108 | | |
| 864 | S | 28.2 | Very low | 29.4 | Very low | 95 Ų | 95 | 149 Ų | 149 | 66% | 0.664 | 81% | 0.808 | S | S | * | * | | | cis | -156.4 | 154.3 | -24.5 | 55.9 | 0 | 0 | 0 | 0 | 107.4 | N866 | S864-N866 VanDerWaalsContact C-N 3.31Å; S864-N866 PolarHBondContact O-N 3.08Å |
| 865 | L | 28.8 | Very low | 29.6 | Very low | 182 Ų | 182 | 147.5 Ų | 147.5 | 95% | 0.953 | 81% | 0.808 | S | S | * | * | | | trans | -75.1 | 82.3 | 173.3 | -90.9 | 153.8 | 0 | 0 | 0 | 110 | | |
| 866 | N | 30.1 | Very low | 29.6 | Very low | 157 Ų | 157 | 148.3 Ų | 148.3 | 84% | 0.84 | 81% | 0.813 | S | S | * | * | | | trans | -145 | 60.6 | 173.3 | -96.5 | -24.2 | 0 | 0 | 0 | 111 | S864 | S864-N866 VanDerWaalsContact C-N 3.31Å; S864-N866 PolarHBondContact O-N 3.08Å |
| 867 | G | 27.2 | Very low | 29.6 | Very low | 67 Ų | 67 | 148.7 Ų | 148.7 | 69% | 0.691 | 81% | 0.81 | S | S | * | * | | | trans | -122.7 | 145.8 | 164.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 868 | L | 30.3 | Very low | 29.4 | Very low | 178 Ų | 178 | 149.9 Ų | 149.9 | 93% | 0.932 | 81% | 0.809 | S | S | * | * | | | trans | 74.3 | 45.5 | 176.5 | -46.2 | 179.1 | 0 | 0 | 0 | 116.8 | | |
| 869 | K | 28.5 | Very low | 29.2 | Very low | 209 Ų | 209 | 153.7 Ų | 153.7 | 91% | 0.909 | 81% | 0.813 | S | S | * | * | | | trans | -111.4 | 93 | 139.9 | -90.6 | -174.7 | 176 | 176.6 | 0 | 108.4 | | |
| 870 | L | 32.5 | Very low | 29 | Very low | 150 Ų | 150 | 155 Ų | 155 | 79% | 0.785 | 82% | 0.815 | S | S | * | * | | | trans | -142.3 | 122.4 | 176.2 | -147.1 | 77.1 | 0 | 0 | 0 | 111.7 | | |
| 871 | L | 30.2 | Very low | 29 | Very low | 152 Ų | 152 | 153.9 Ų | 153.9 | 80% | 0.796 | 82% | 0.818 | S | S | * | * | | | trans | 48.9 | 88 | 152.3 | -65.4 | 165.2 | 0 | 0 | 0 | 118.5 | | |
| 872 | L | 32.1 | Very low | 29.1 | Very low | 175 Ų | 175 | 152.7 Ų | 152.7 | 92% | 0.916 | 82% | 0.82 | S | S | * | * | | | trans | -128.6 | 124.5 | 132.7 | -95.4 | 166.9 | 0 | 0 | 0 | 109.2 | | |
| 873 | S | 29.3 | Very low | 29.2 | Very low | 112 Ų | 112 | 156.7 Ų | 156.7 | 78% | 0.783 | 82% | 0.823 | S | S | * | * | | | trans | -57.6 | 138.5 | -162.9 | 5.5 | 0 | 0 | 0 | 0 | 115.4 | S875 | S873-S875 PolarHBondContact O-N 2.89Š|
| 874 | K | 28.3 | Very low | 29.3 | Very low | 198 Ų | 198 | 150.2 Ų | 150.2 | 86% | 0.861 | 82% | 0.815 | S | S | * | * | | | trans | -65.6 | 127.9 | 160.7 | -72.8 | 177.2 | 173.7 | 178.3 | 0 | 109.5 | | |
| 875 | S | 29.3 | Very low | 29.2 | Very low | 107 Ų | 107 | 154.2 Ų | 154.2 | 75% | 0.748 | 83% | 0.829 | S | S | * | * | | | trans | -93.6 | 112.3 | 158.3 | 177.4 | 0 | 0 | 0 | 0 | 108.6 | S873 | S873-S875 PolarHBondContact O-N 2.89Š|
| 876 | T | 28 | Very low | 29.3 | Very low | 119 Ų | 119 | 149.8 Ų | 149.8 | 73% | 0.73 | 82% | 0.819 | S | S | * | * | | | trans | -92.9 | 106 | 173.5 | 43.6 | 0 | 0 | 0 | 0 | 110 | | |
| 877 | H | 31.5 | Very low | 29.1 | Very low | 167 Ų | 167 | 150.4 Ų | 150.4 | 77% | 0.773 | 82% | 0.822 | S | S | * | * | | | trans | -110.2 | 109.5 | 155.4 | -88.1 | -80 | 0 | 0 | 0 | 109.3 | | |
| 878 | R | 23.5 | Very low | 29.3 | Very low | 217 Ų | 217 | 155.4 Ų | 155.4 | 82% | 0.819 | 83% | 0.832 | S | S | * | * | | | trans | -75.4 | 137 | 158.6 | -68 | 176.8 | 175.3 | 167.2 | -3.9 | 107.3 | | |
| 879 | F | 31.9 | Very low | 29 | Very low | 199 Ų | 199 | 155.1 Ų | 155.1 | 87% | 0.873 | 83% | 0.831 | S | S | * | * | | | trans | -129.5 | 129.1 | 145.5 | -98.9 | -78.1 | 0 | 0 | 0 | 107.1 | | |
| 880 | D | 29.1 | Very low | 28.9 | Very low | 142 Ų | 142 | 149.1 Ų | 149.1 | 76% | 0.759 | 83% | 0.829 | S | S | * | * | | | trans | -75.8 | 151.3 | -170.8 | -64.6 | -64.7 | 0 | 0 | 0 | 111.9 | | |
| 881 | A | 26.6 | Very low | 28.6 | Very low | 96 Ų | 96 | 145.6 Ų | 145.6 | 79% | 0.793 | 83% | 0.829 | S | S | * | * | | | trans | -71.1 | 136.9 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 882 | N | 30.8 | Very low | 28.5 | Very low | 162 Ų | 162 | 148.7 Ų | 148.7 | 87% | 0.866 | 84% | 0.836 | S | S | * | * | | | trans | -142.1 | 130.6 | 157.7 | -101.2 | -36.1 | 0 | 0 | 0 | 111 | | |
| 883 | N | 27.1 | Very low | 28.5 | Very low | 162 Ų | 162 | 145.9 Ų | 145.9 | 87% | 0.866 | 83% | 0.831 | S | S | * | * | | | trans | -73.3 | 144.3 | 176 | -64.6 | -58.4 | 0 | 0 | 0 | 110.9 | | |
| 884 | S | 31.5 | Very low | 28.4 | Very low | 109 Ų | 109 | 147.9 Ų | 147.9 | 76% | 0.762 | 83% | 0.832 | S | S | * | * | | | | -172 | 115.7 | 129.3 | 54.6 | 0 | 0 | 0 | 0 | 111.4 | A886 | S884-A886 PolarHBondContact O-N 3.28Š|
| 885 | N | 25.5 | Very low | 28.2 | Very low | 178 Ų | 178 | 147.6 Ų | 147.6 | 95% | 0.952 | 83% | 0.831 | S | S | * | * | | | trans | -69.5 | 125 | 159.3 | -73.8 | -31.7 | 0 | 0 | 0 | 108.6 | | |
| 886 | A | 32.5 | Very low | 28.2 | Very low | 89 Ų | 89 | 151.8 Ų | 151.8 | 74% | 0.736 | 84% | 0.836 | S | S | * | * | | | trans | -143.2 | 96.4 | 169 | 0 | 0 | 0 | 0 | 0 | 110.2 | S884 L888 | S884-A886 PolarHBondContact O-N 3.28Å; A886-L888 PolarHBondContact O-N 3.18Å |
| 887 | N | 24.6 | Very low | 28.3 | Very low | 171 Ų | 171 | 153.5 Ų | 153.5 | 91% | 0.914 | 84% | 0.836 | S | S | * | * | | | trans | -63.1 | 119 | 164.3 | -90.6 | -27.5 | 0 | 0 | 0 | 109.3 | | |
| 888 | L | 31.8 | Very low | 28.1 | Very low | 171 Ų | 171 | 153.4 Ų | 153.4 | 90% | 0.895 | 84% | 0.839 | S | S | * | * | | | trans | -137.2 | 106 | 156.2 | -88.3 | 176 | 0 | 0 | 0 | 110.4 | A886 | A886-L888 PolarHBondContact O-N 3.18Š|
| 889 | N | 24.9 | Very low | 28.4 | Very low | 172 Ų | 172 | 150.3 Ų | 150.3 | 92% | 0.92 | 83% | 0.834 | S | S | * | * | | | trans | -68.1 | 142.8 | 162.4 | -80.1 | -41.6 | 0 | 0 | 0 | 110 | | |
| 890 | G | 25.9 | Very low | 28.2 | Very low | 83 Ų | 83 | 148.6 Ų | 148.6 | 86% | 0.856 | 83% | 0.828 | S | S | * | * | | | trans | 122.1 | 152.6 | 159 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 891 | G | 26.7 | Very low | 28.2 | Very low | 77 Ų | 77 | 148.7 Ų | 148.7 | 79% | 0.794 | 83% | 0.829 | S | S | * | * | | | trans | 113.5 | 76.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | S893 | G891-S893 PolarHBondContact O-N 2.97Š|
| 892 | K | 27.5 | Very low | 28.4 | Very low | 217 Ų | 217 | 149.9 Ų | 149.9 | 94% | 0.943 | 83% | 0.831 | S | S | * | * | | | trans | -59.8 | 119.7 | 161.5 | -63.7 | 167.6 | 178.6 | 174.3 | 0 | 108.4 | | |
| 893 | S | 32.2 | Very low | 28.3 | Very low | 116 Ų | 116 | 149.6 Ų | 149.6 | 81% | 0.811 | 83% | 0.828 | S | S | * | * | | | trans | -135.4 | 132.6 | 156.6 | 68.4 | 0 | 0 | 0 | 0 | 109.7 | G891 | G891-S893 PolarHBondContact O-N 2.97Š|
| 894 | L | 26.2 | Very low | 28.4 | Very low | 153 Ų | 153 | 148.1 Ų | 148.1 | 80% | 0.801 | 82% | 0.82 | S | S | * | * | | | trans | -98.6 | 161.3 | 178.8 | -77.1 | 141.8 | 0 | 0 | 0 | 109.4 | | |
| 895 | F | 26 | Very low | 28.4 | Very low | 192 Ų | 192 | 148.4 Ų | 148.4 | 84% | 0.842 | 82% | 0.82 | S | S | * | * | | | trans | 81.5 | 135.8 | 161.3 | -79.1 | -77.7 | 0 | 0 | 0 | 120.2 | | |
| 896 | K | 28 | Very low | 28.7 | Very low | 195 Ų | 195 | 149.8 Ų | 149.8 | 85% | 0.848 | 81% | 0.811 | S | S | * | * | | | trans | 69 | 97.3 | 165.9 | -61 | 177.7 | -177.4 | -179.3 | 0 | 117 | | |
| 897 | Q | 30.6 | Very low | 28.9 | Very low | 156 Ų | 156 | 154.3 Ų | 154.3 | 73% | 0.729 | 82% | 0.817 | S | S | * | * | | | | -154.9 | 121.3 | 105.1 | -153.1 | 141.2 | -34.2 | 0 | 0 | 109.1 | E899 | Q897-E899 HydrophobicContact CG-CB 4.36Å; Q897-E899 PolarHBondContact NE2-OE2 3.03Å |
| 898 | I | 26.4 | Very low | 29.1 | Very low | 164 Ų | 164 | 154.1 Ų | 154.1 | 84% | 0.841 | 82% | 0.816 | S | S | * | * | | | trans | -93.1 | 105.9 | 161 | -64.6 | 172.2 | 0 | 0 | 0 | 104.2 | | |
| 899 | E | 30.6 | Very low | 29.2 | Very low | 152 Ų | 152 | 150.5 Ų | 150.5 | 71% | 0.71 | 81% | 0.805 | S | S | * | * | | | trans | -130.7 | 137.8 | 167.7 | -126.8 | 164.8 | 177.6 | 0 | 0 | 109.1 | Q897 | Q897-E899 HydrophobicContact CG-CB 4.36Å; Q897-E899 PolarHBondContact NE2-OE2 3.03Å |
| 900 | H | 26.8 | Very low | 29.4 | Very low | 163 Ų | 163 | 146.5 Ų | 146.5 | 76% | 0.755 | 80% | 0.796 | S | S | * | * | | | trans | -76.6 | 175.9 | -174.1 | -91.6 | -119.2 | 0 | 0 | 0 | 111.8 | | |
| 901 | D | 29.4 | Very low | 29.7 | Very low | 145 Ų | 145 | 149.2 Ų | 149.2 | 78% | 0.775 | 79% | 0.789 | S | S | * | * | | | trans | 76.8 | 75.8 | 161.7 | -56.4 | -19.9 | 0 | 0 | 0 | 118.3 | | |
| 902 | S | 31.6 | Very low | 30.1 | Very low | 120 Ų | 120 | 152.2 Ų | 152.2 | 84% | 0.839 | 79% | 0.787 | S | S | * | * | | | trans | -147.3 | 71.7 | 134.4 | 46.8 | 0 | 0 | 0 | 0 | 112.4 | N904 | S902-N904 VanDerWaalsContact C-N 3.3Å; S902-N904 PolarHBondContact O-N 2.79Å |
| 903 | I | 28.4 | Very low | 30.3 | Very low | 156 Ų | 156 | 148.8 Ų | 148.8 | 80% | 0.8 | 78% | 0.777 | S | S | * | * | | | trans | -68.1 | 93.6 | 161 | -61.7 | 174.9 | 0 | 0 | 0 | 107.6 | P905 | I903-P905 VanDerWaalsContact C-CD 3.43Å; I903-P905 VanDerWaalsContact CG2-CD 3.48Å; I903-P905 HydrophobicContact CG2-CG 4.09Å |
| 904 | N | 28.8 | Very low | 30.3 | Very low | 132 Ų | 132 | 151 Ų | 151 | 71% | 0.706 | 78% | 0.779 | S | S | * | * | | | trans | -133.2 | 60.6 | 163.8 | -142.7 | -6.8 | 0 | 0 | 0 | 111.9 | S902 R906 | S902-N904 VanDerWaalsContact C-N 3.3Å; S902-N904 PolarHBondContact O-N 2.79Å; N904-R906 PolarHBondContact O-N 3.05Å |
| 905 | P | 32.1 | Very low | 30.4 | Very low | 115 Ų | 115 | 150.9 Ų | 150.9 | 75% | 0.747 | 78% | 0.78 | S | S | * | * | | | trans | -76.2 | 65.4 | 177.9 | 35.1 | -37 | 0 | 0 | 0 | 111 | I903 | I903-P905 VanDerWaalsContact C-CD 3.43Å; I903-P905 VanDerWaalsContact CG2-CD 3.48Å; I903-P905 HydrophobicContact CG2-CG 4.09Å |
| 906 | R | 32.5 | Very low | 30.6 | Very low | 206 Ų | 206 | 150.2 Ų | 150.2 | 78% | 0.777 | 78% | 0.779 | S | S | * | * | | | trans | -122 | 134.4 | 157.9 | -70.3 | -178.5 | 176.6 | 172.4 | 0.4 | 105.7 | N904 | N904-R906 PolarHBondContact O-N 3.05Š|
| 907 | H | 35.1 | Very low | 30.9 | Very low | 184 Ų | 184 | 147.1 Ų | 147.1 | 85% | 0.852 | 78% | 0.777 | S | S | * | * | | | trans | 76.5 | 63.5 | -166.2 | -47.6 | -79.8 | 0 | 0 | 0 | 115.3 | | |
| 908 | N | 29 | Very low | 31 | Very low | 168 Ų | 168 | 143.9 Ų | 143.9 | 90% | 0.898 | 77% | 0.772 | S | S | * | * | | | | -136 | 116.9 | 128.7 | -96.2 | -23.1 | 0 | 0 | 0 | 108.1 | | |
| 909 | S | 34.3 | Very low | 31.2 | Very low | 94 Ų | 94 | 141.7 Ų | 141.7 | 66% | 0.657 | 77% | 0.771 | S | S | * | * | | | trans | -78.1 | 126.9 | -177.7 | 43.5 | 0 | 0 | 0 | 0 | 110.7 | I911 | S909-I911 PolarHBondContact O-N 2.9Š|
| 910 | A | 29.1 | Very low | 31.3 | Very low | 88 Ų | 88 | 143.4 Ų | 143.4 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.1 | 60.1 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 911 | I | 33.3 | Very low | 31.3 | Very low | 141 Ų | 141 | 141.3 Ų | 141.3 | 72% | 0.723 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105 | -21.9 | 176.2 | -68.3 | 179.7 | 0 | 0 | 0 | 112.2 | S909 I913 | S909-I911 PolarHBondContact O-N 2.9Å; I911-I913 PolarHBondContact O-N 3.34Å |
| 912 | D | 34.3 | Very low | 31.5 | Very low | 139 Ų | 139 | 143.5 Ų | 143.5 | 74% | 0.743 | 81% | 0.807 | S | S | * | * | G | 310 helix | trans | -85.1 | 1.7 | -174.6 | -67.3 | -27.7 | 0 | 0 | 0 | 115.9 | L914 | D912-L914 PolarHBondContact O-N 3.05Š|
| 913 | I | 32.1 | Very low | 31.5 | Very low | 145 Ų | 145 | 144.7 Ų | 144.7 | 74% | 0.744 | 81% | 0.805 | S | S | * | * | G | 310 helix | trans | -82.3 | -11.1 | -175.1 | -59.7 | -178.8 | 0 | 0 | 0 | 113 | I911 | I911-I913 PolarHBondContact O-N 3.34Š|
| 914 | L | 31.9 | Very low | 31.7 | Very low | 162 Ų | 162 | 144.1 Ų | 144.1 | 85% | 0.848 | 81% | 0.805 | S | S | * | * | G | 310 helix | trans | -97.5 | -0.7 | -176.3 | -84.7 | 166.4 | 0 | 0 | 0 | 116.1 | D912 | D912-L914 PolarHBondContact O-N 3.05Š|
| 915 | N | 29.2 | Very low | 31.8 | Very low | 151 Ų | 151 | 144.8 Ų | 144.8 | 81% | 0.807 | 81% | 0.811 | S | S | * | * | | | trans | -106.4 | 15 | 179.3 | -83.4 | -10.2 | 0 | 0 | 0 | 114.8 | T917 | N915-T917 PolarHBondContact O-N 2.66Š|
| 916 | Q | 30.1 | Very low | 31.8 | Very low | 178 Ų | 178 | 146.5 Ų | 146.5 | 83% | 0.832 | 82% | 0.815 | S | S | * | * | | | trans | -87.1 | 89.1 | 166.4 | -73.6 | -166 | -3.1 | 0 | 0 | 110.8 | S918 | Q916-S918 VanDerWaalsContact C-N 3.34Å; Q916-S918 PolarHBondContact O-N 2.87Å |
| 917 | T | 33.3 | Very low | 31.8 | Very low | 130 Ų | 130 | 142.8 Ų | 142.8 | 80% | 0.798 | 82% | 0.817 | S | S | * | * | | | trans | -64.7 | 92.1 | 163.4 | 48.1 | 0 | 0 | 0 | 0 | 109.6 | N915 S919 | N915-T917 PolarHBondContact O-N 2.66Å; T917-S919 PolarHBondContact O-N 2.89Å; T917-S919 VanDerWaalsContact O-N 3.14Å |
| 918 | S | 32.8 | Very low | 31.5 | Very low | 89 Ų | 89 | 140.1 Ų | 140.1 | 62% | 0.622 | 82% | 0.815 | S | S | * | * | | | trans | -75.4 | 97.8 | 171.8 | 59.6 | 0 | 0 | 0 | 0 | 110.1 | Q916 F920 | Q916-S918 VanDerWaalsContact C-N 3.34Å; Q916-S918 PolarHBondContact O-N 2.87Å; S918-F920 PolarHBondContact O-N 2.91Å |
| 919 | S | 31.5 | Very low | 31.7 | Very low | 118 Ų | 118 | 138.1 Ų | 138.1 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | | | trans | -62.6 | 103.7 | 168.7 | -52.1 | 0 | 0 | 0 | 0 | 109.8 | T917 | T917-S919 PolarHBondContact O-N 2.89Å; T917-S919 VanDerWaalsContact O-N 3.14Å |
| 920 | F | 32.4 | Very low | 31.5 | Very low | 187 Ų | 187 | 141.5 Ų | 141.5 | 82% | 0.82 | 82% | 0.82 | S | S | * | * | | | trans | -101.2 | 113.3 | 166.9 | -85.1 | -78.5 | 0 | 0 | 0 | 109.6 | S918 | S918-F920 PolarHBondContact O-N 2.91Š|
| 921 | S | 26.4 | Very low | 31.7 | Very low | 119 Ų | 119 | 145.9 Ų | 145.9 | 83% | 0.832 | 83% | 0.828 | S | S | * | * | | | trans | -77.9 | 134 | 170.2 | 53.2 | 0 | 0 | 0 | 0 | 111.2 | | |
| 922 | S | 33.9 | Very low | 31.6 | Very low | 192 Ų | 192 | 146.4 Ų | 146.4 | 100% | 1.343 | 84% | 0.838 | S | S | * | * | | | trans | -145.4 | 0 | 152.5 | 65.1 | 0 | 0 | 0 | 0 | 108.4 | | |