| 1 | M | 34.7 | Very low | 31.6 | Very low | 225 Ų | 225 | 145.4 Ų | 145.4 | 100% | 1.108 | 78% | 0.777 | S | S | * | * | | | | 0 | 95.3 | 0 | -167.1 | 173 | 74 | 0 | 0 | 107.2 | | |
| 2 | V | 31.7 | Very low | 31.4 | Very low | 134 Ų | 134 | 143.6 Ų | 143.6 | 81% | 0.812 | 77% | 0.774 | S | S | * | * | | | trans | -104.7 | 108.5 | 179.6 | 177.9 | 0 | 0 | 0 | 0 | 106.3 | I4 | V2-I4 HydrophobicContact CG1-CG1 4.42Å; V2-I4 PolarHBondContact O-N 3.19Å |
| 3 | V | 31 | Very low | 31.4 | Very low | 110 Ų | 110 | 144.1 Ų | 144.1 | 67% | 0.667 | 77% | 0.772 | S | S | * | * | | | trans | -81 | 105.4 | 178.6 | 179.2 | 0 | 0 | 0 | 0 | 107.1 | Q5 | V3-Q5 HydrophobicContact CG1-CG 4.4Å; V3-Q5 PolarHBondContact O-N 3.04Å |
| 4 | I | 31 | Very low | 31.1 | Very low | 141 Ų | 141 | 144.1 Ų | 144.1 | 72% | 0.723 | 77% | 0.772 | S | S | * | * | | | trans | -84.1 | 99.2 | 172.4 | -58.1 | 174.9 | 0 | 0 | 0 | 106.2 | V2 T6 | V2-I4 HydrophobicContact CG1-CG1 4.42Å; V2-I4 PolarHBondContact O-N 3.19Å; I4-T6 PolarHBondContact O-N 3.28Å; I4-T6 VanDerWaalsContact O-N 3.09Å |
| 5 | Q | 29.7 | Very low | 31 | Very low | 170 Ų | 170 | 143 Ų | 143 | 79% | 0.794 | 77% | 0.772 | S | S | * | * | | | trans | -70.1 | 99.3 | 170.3 | -84.4 | 176.1 | -34 | 0 | 0 | 108.7 | V3 N7 | V3-Q5 HydrophobicContact CG1-CG 4.4Å; V3-Q5 PolarHBondContact O-N 3.04Å; Q5-N7 PolarHBondContact O-N 3Å |
| 6 | T | 31.9 | Very low | 30.8 | Very low | 111 Ų | 111 | 143.3 Ų | 143.3 | 68% | 0.681 | 77% | 0.771 | S | S | * | * | | | trans | -73.6 | 106.2 | 165.4 | 48.7 | 0 | 0 | 0 | 0 | 107.7 | I4 T8 | I4-T6 PolarHBondContact O-N 3.28Å; I4-T6 VanDerWaalsContact O-N 3.09Å; T6-T8 VanDerWaalsContact C-N 3.34Å; T6-T8 PolarHBondContact O-N 3.49Å |
| 7 | N | 27.7 | Very low | 30.4 | Very low | 145 Ų | 145 | 144.6 Ų | 144.6 | 78% | 0.775 | 77% | 0.771 | S | S | * | * | | | trans | -62.5 | 97.3 | 169.1 | -74.9 | -26.7 | 0 | 0 | 0 | 108.5 | Q5 H9 | Q5-N7 PolarHBondContact O-N 3Å; N7-H9 PolarHBondContact O-N 3.37Å; N7-H9 VanDerWaalsContact O-N 3.11Å |
| 8 | T | 33.8 | Very low | 30.2 | Very low | 115 Ų | 115 | 142.7 Ų | 142.7 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | | | trans | -67.2 | 99.8 | 164.8 | 42.6 | 0 | 0 | 0 | 0 | 107.3 | T6 D10 | T6-T8 VanDerWaalsContact C-N 3.34Å; T6-T8 PolarHBondContact O-N 3.49Å; T8-D10 PolarHBondContact O-N 3.32Å |
| 9 | H | 31.7 | Very low | 29.8 | Very low | 167 Ų | 167 | 142.5 Ų | 142.5 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | | | trans | -70.4 | 119.7 | 159.3 | -84 | -15.1 | 0 | 0 | 0 | 107.6 | N7 N11 | N7-H9 PolarHBondContact O-N 3.37Å; N7-H9 VanDerWaalsContact O-N 3.11Å; H9-N11 VanDerWaalsContact C-N 3.33Å; H9-N11 PolarHBondContact O-N 3.39Å |
| 10 | D | 33.4 | Very low | 29.8 | Very low | 146 Ų | 146 | 143.6 Ų | 143.6 | 78% | 0.781 | 78% | 0.775 | S | S | * | * | | | trans | -54.8 | 91.9 | 175.4 | -63.9 | -49.5 | 0 | 0 | 0 | 109.9 | T8 V12 | T8-D10 PolarHBondContact O-N 3.32Å; D10-V12 VanDerWaalsContact C-N 3.27Å; D10-V12 PolarHBondContact O-N 3.33Å |
| 11 | N | 30.7 | Very low | 29.5 | Very low | 135 Ų | 135 | 146.6 Ų | 146.6 | 72% | 0.722 | 78% | 0.781 | S | S | * | * | | | trans | -70.5 | 95 | 161.6 | -81.4 | -23.9 | 0 | 0 | 0 | 106.4 | H9 M13 | H9-N11 VanDerWaalsContact C-N 3.33Å; H9-N11 PolarHBondContact O-N 3.39Å; N11-M13 PolarHBondContact O-N 3.49Å |
| 12 | V | 29.5 | Very low | 29.1 | Very low | 124 Ų | 124 | 144.5 Ų | 144.5 | 75% | 0.752 | 77% | 0.769 | S | S | * | * | | | trans | -60.7 | 87.6 | 161.8 | -179.3 | 0 | 0 | 0 | 0 | 106.4 | D10 D14 | D10-V12 VanDerWaalsContact C-N 3.27Å; D10-V12 PolarHBondContact O-N 3.33Å; V12-D14 PolarHBondContact O-N 3.27Å |
| 13 | M | 31.3 | Very low | 28.7 | Very low | 150 Ų | 150 | 147.4 Ų | 147.4 | 74% | 0.739 | 77% | 0.773 | S | S | * | * | | | trans | -72.4 | 102.3 | 168.7 | -76.1 | -75.1 | -169.1 | 0 | 0 | 106.3 | N11 V15 | N11-M13 PolarHBondContact O-N 3.49Å; M13-V15 PolarHBondContact O-N 3.31Å |
| 14 | D | 27.8 | Very low | 28.5 | Very low | 145 Ų | 145 | 149 Ų | 149 | 78% | 0.775 | 78% | 0.777 | S | S | * | * | | | trans | -56.9 | 109.4 | 166.9 | -85.2 | -31.6 | 0 | 0 | 0 | 108.4 | V12 I16 | V12-D14 PolarHBondContact O-N 3.27Å; D14-I16 PolarHBondContact O-N 3.14Å |
| 15 | V | 29.6 | Very low | 28.1 | Very low | 127 Ų | 127 | 148.6 Ų | 148.6 | 77% | 0.77 | 78% | 0.776 | S | S | * | * | | | trans | -66.6 | 94.9 | 177.6 | 176.9 | 0 | 0 | 0 | 0 | 107.9 | M13 Q17 | M13-V15 PolarHBondContact O-N 3.31Å; V15-Q17 HydrophobicContact CG1-CG 4.35Å; V15-Q17 PolarHBondContact O-N 2.98Å |
| 16 | I | 27.2 | Very low | 28.1 | Very low | 148 Ų | 148 | 146.6 Ų | 146.6 | 76% | 0.759 | 78% | 0.775 | S | S | * | * | | | trans | -85.4 | 95 | 162.3 | -58 | 179.4 | 0 | 0 | 0 | 106.4 | D14 S18 | D14-I16 PolarHBondContact O-N 3.14Å; I16-S18 PolarHBondContact O-N 2.93Å |
| 17 | Q | 24.2 | Very low | 27.7 | Very low | 165 Ų | 165 | 149.2 Ų | 149.2 | 77% | 0.771 | 78% | 0.779 | S | S | * | * | | | trans | -49.4 | 108.8 | 165.3 | -89.1 | 169.3 | -38.7 | 0 | 0 | 109 | V15 | V15-Q17 HydrophobicContact CG1-CG 4.35Å; V15-Q17 PolarHBondContact O-N 2.98Å |
| 18 | S | 26.6 | Very low | 27.7 | Very low | 111 Ų | 111 | 147.5 Ų | 147.5 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | | | trans | -113.8 | 85.5 | 164.2 | 27.9 | 0 | 0 | 0 | 0 | 106.7 | I16 N20 | I16-S18 PolarHBondContact O-N 2.93Å; S18-N20 PolarHBondContact O-N 2.78Å |
| 19 | D | 23 | Very low | 27.3 | Very low | 138 Ų | 138 | 148.8 Ų | 148.8 | 74% | 0.738 | 78% | 0.782 | S | S | * | * | | | trans | -59.8 | 114.1 | 159.1 | -75.4 | -40.9 | 0 | 0 | 0 | 107.5 | | |
| 20 | N | 29.4 | Very low | 27 | Very low | 164 Ų | 164 | 148.2 Ų | 148.2 | 88% | 0.877 | 78% | 0.784 | S | S | * | * | | | trans | -159 | 98.9 | 147.6 | -90 | -26.6 | 0 | 0 | 0 | 108.4 | S18 | S18-N20 PolarHBondContact O-N 2.78Š|
| 21 | K | 23.4 | Very low | 26.7 | Very low | 208 Ų | 208 | 147 Ų | 147 | 90% | 0.904 | 78% | 0.784 | S | S | * | * | | | trans | -70.2 | 124 | 164.1 | -69.5 | 174.8 | 175.3 | 177.3 | 0 | 108.2 | | |
| 22 | E | 27.7 | Very low | 26.5 | Very low | 181 Ų | 181 | 151.8 Ų | 151.8 | 85% | 0.846 | 79% | 0.792 | S | S | * | * | | | trans | -149.9 | 98.7 | 147.6 | -123.1 | 172.9 | -176.6 | 0 | 0 | 108.7 | I24 | E22-I24 PolarHBondContact O-N 2.93Š|
| 23 | E | 22.5 | Very low | 26.3 | Very low | 194 Ų | 194 | 155.1 Ų | 155.1 | 91% | 0.907 | 80% | 0.797 | S | S | * | * | | | trans | -66.9 | 117.6 | 165.1 | -75.8 | 172.9 | 128.7 | 0 | 0 | 108.5 | | |
| 24 | I | 27.5 | Very low | 26 | Very low | 145 Ų | 145 | 155.2 Ų | 155.2 | 74% | 0.744 | 80% | 0.801 | S | S | * | * | | | trans | -124.2 | 107.6 | 154.2 | -58.9 | -178.9 | 0 | 0 | 0 | 107.9 | E22 | E22-I24 PolarHBondContact O-N 2.93Š|
| 25 | N | 21.7 | Very low | 26 | Very low | 131 Ų | 131 | 155.3 Ų | 155.3 | 70% | 0.701 | 80% | 0.801 | S | S | * | * | | | trans | -87.7 | 113.1 | -178 | -164.5 | 4.4 | 0 | 0 | 0 | 108.3 | | |
| 26 | T | 30.8 | Very low | 25.9 | Very low | 128 Ų | 128 | 153.6 Ų | 153.6 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | | | trans | -141.9 | 94.8 | 162.1 | 45.5 | 0 | 0 | 0 | 0 | 109.9 | S28 | T26-S28 PolarHBondContact O-N 2.74Š|
| 27 | H | 22.6 | Very low | 25.9 | Very low | 166 Ų | 166 | 153.2 Ų | 153.2 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | | | trans | -55 | 123.8 | 158.8 | -77.2 | -56.2 | 0 | 0 | 0 | 110.3 | | |
| 28 | S | 28.3 | Very low | 26.1 | Very low | 109 Ų | 109 | 153.4 Ų | 153.4 | 76% | 0.762 | 80% | 0.795 | S | S | * | * | | | trans | -136.3 | 112.9 | 151.5 | 83 | 0 | 0 | 0 | 0 | 108.8 | T26 | T26-S28 PolarHBondContact O-N 2.74Š|
| 29 | N | 23.7 | Very low | 26 | Very low | 143 Ų | 143 | 153.6 Ų | 153.6 | 77% | 0.765 | 80% | 0.795 | S | S | * | * | | | trans | -69.5 | 124.5 | 173.3 | -68.3 | -42.8 | 0 | 0 | 0 | 108.9 | | |
| 30 | N | 25.8 | Very low | 26.2 | Very low | 155 Ų | 155 | 154.8 Ų | 154.8 | 83% | 0.829 | 80% | 0.8 | S | S | * | * | | | trans | -146.7 | 108.2 | 155.5 | -104.4 | -33.5 | 0 | 0 | 0 | 109.6 | R32 | N30-R32 PolarHBondContact O-N 3.04Š|
| 31 | P | 26.7 | Very low | 26 | Very low | 120 Ų | 120 | 151.7 Ų | 151.7 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | | | trans | -85 | 103.9 | 173.5 | 32.5 | -25.8 | 0 | 0 | 0 | 107.6 | | |
| 32 | R | 26.6 | Very low | 26.2 | Very low | 235 Ų | 235 | 147.5 Ų | 147.5 | 89% | 0.887 | 78% | 0.783 | S | S | * | * | | | trans | -132.1 | 103.5 | 168.9 | -120.8 | 179.3 | -176.3 | 178.8 | 1 | 110.2 | N30 | N30-R32 PolarHBondContact O-N 3.04Š|
| 33 | F | 26.6 | Very low | 26.1 | Very low | 195 Ų | 195 | 144.2 Ų | 144.2 | 86% | 0.855 | 78% | 0.776 | S | S | * | * | | | trans | 33.4 | 112.7 | 149.5 | -76.4 | -86.5 | 0 | 0 | 0 | 118.3 | D35 | F33-D35 PolarHBondContact O-N 2.94Š|
| 34 | N | 24.8 | Very low | 26.4 | Very low | 152 Ų | 152 | 142.7 Ų | 142.7 | 81% | 0.813 | 77% | 0.774 | S | S | * | * | | | trans | -50.8 | 95.4 | 164.1 | -65.5 | -29.7 | 0 | 0 | 0 | 112.1 | | |
| 35 | D | 28.5 | Very low | 26.4 | Very low | 147 Ų | 147 | 140.7 Ų | 140.7 | 79% | 0.786 | 77% | 0.773 | S | S | * | * | | | trans | -99 | 94 | 147.1 | -80.4 | -26.8 | 0 | 0 | 0 | 106.9 | F33 N37 | F33-D35 PolarHBondContact O-N 2.94Å; D35-N37 PolarHBondContact O-N 3.45Å |
| 36 | S | 26.3 | Very low | 26.7 | Very low | 90 Ų | 90 | 139 Ų | 139 | 63% | 0.629 | 77% | 0.771 | S | S | * | * | | | trans | -64.8 | 72.4 | 170.5 | -65.8 | 0 | 0 | 0 | 0 | 109.7 | H38 | S36-H38 PolarHBondContact O-N 2.94Š|
| 37 | N | 27.6 | Very low | 26.5 | Very low | 140 Ų | 140 | 137.2 Ų | 137.2 | 75% | 0.749 | 76% | 0.764 | S | S | * | * | | | trans | -67 | 94.3 | 153.2 | -78.4 | -30.4 | 0 | 0 | 0 | 105.8 | D35 C39 | D35-N37 PolarHBondContact O-N 3.45Å; N37-C39 PolarHBondContact O-N 3.33Å |
| 38 | H | 28.6 | Very low | 26.8 | Very low | 170 Ų | 170 | 135.6 Ų | 135.6 | 79% | 0.787 | 76% | 0.757 | S | S | * | * | | | trans | -60.3 | 81.4 | 159.6 | -77.4 | -73.2 | 0 | 0 | 0 | 107.4 | S36 L40 | S36-H38 PolarHBondContact O-N 2.94Å; H38-L40 PolarHBondContact O-N 3.29Å |
| 39 | C | 24.4 | Very low | 26.8 | Very low | 115 Ų | 115 | 136.9 Ų | 136.9 | 78% | 0.777 | 76% | 0.755 | S | S | * | * | | | trans | -57.2 | 98.2 | 150.5 | -74.7 | 0 | 0 | 0 | 0 | 104.7 | N37 S41 | N37-C39 PolarHBondContact O-N 3.33Å; C39-S41 PolarHBondContact O-N 3.26Å |
| 40 | L | 26.6 | Very low | 27 | Very low | 162 Ų | 162 | 138.7 Ų | 138.7 | 85% | 0.848 | 75% | 0.752 | S | S | * | * | | | trans | -54.4 | 95.8 | 155.8 | -79.3 | 158.9 | 0 | 0 | 0 | 104.8 | H38 T42 | H38-L40 PolarHBondContact O-N 3.29Å; L40-T42 PolarHBondContact O-N 3.29Å |
| 41 | S | 25.7 | Very low | 27.3 | Very low | 99 Ų | 99 | 135.6 Ų | 135.6 | 69% | 0.692 | 74% | 0.743 | S | S | * | * | | | trans | -50.2 | 97.5 | 159.9 | 163.4 | 0 | 0 | 0 | 0 | 104.4 | C39 T43 | C39-S41 PolarHBondContact O-N 3.26Å; S41-T43 PolarHBondContact O-N 2.71Å |
| 42 | T | 27.2 | Very low | 27.8 | Very low | 121 Ų | 121 | 134.3 Ų | 134.3 | 74% | 0.742 | 73% | 0.733 | S | S | * | * | | | trans | -56.4 | 96.7 | 154.5 | 29.1 | 0 | 0 | 0 | 0 | 102.7 | L40 N44 | L40-T42 PolarHBondContact O-N 3.29Å; T42-N44 PolarHBondContact O-N 2.92Å |
| 43 | T | 26.1 | Very low | 28.3 | Very low | 111 Ų | 111 | 128.8 Ų | 128.8 | 68% | 0.681 | 72% | 0.721 | S | S | * | * | | | trans | -41.2 | 119.6 | 159.9 | 28.6 | 0 | 0 | 0 | 0 | 104.2 | S41 S45 | S41-T43 PolarHBondContact O-N 2.71Å; T43-S45 PolarHBondContact O-N 3.07Å |
| 44 | N | 28.3 | Very low | 28.8 | Very low | 163 Ų | 163 | 121 Ų | 121 | 87% | 0.872 | 70% | 0.696 | S | S | * | * | | | trans | -53.3 | 81.7 | 160.1 | -72.4 | -38.5 | 0 | 0 | 0 | 105 | T42 S46 | T42-N44 PolarHBondContact O-N 2.92Å; N44-S46 PolarHBondContact O-N 3.04Å |
| 45 | S | 27.1 | Very low | 29.5 | Very low | 103 Ų | 103 | 119.8 Ų | 119.8 | 72% | 0.72 | 69% | 0.688 | S | S | * | * | | | trans | -57.5 | 103.1 | 154.3 | 41.4 | 0 | 0 | 0 | 0 | 100.7 | T43 S47 | T43-S45 PolarHBondContact O-N 3.07Å; S45-S47 PolarHBondContact O-N 2.85Å |
| 46 | S | 27.6 | Very low | 30.2 | Very low | 95 Ų | 95 | 117.2 Ų | 117.2 | 66% | 0.664 | 68% | 0.675 | S | S | * | * | | | trans | -48.2 | 106.4 | 168.5 | 54.3 | 0 | 0 | 0 | 0 | 103.7 | N44 Q48 | N44-S46 PolarHBondContact O-N 3.04Å; S46-Q48 PolarHBondContact O-N 3.04Å |
| 47 | S | 27.2 | Very low | 30.6 | Very low | 91 Ų | 91 | 117.8 Ų | 117.8 | 64% | 0.636 | 67% | 0.671 | S | S | * | * | | | trans | -61.5 | 84.2 | 156.5 | 51.2 | 0 | 0 | 0 | 0 | 102.3 | S45 N49 | S45-S47 PolarHBondContact O-N 2.85Å; S47-N49 PolarHBondContact O-N 3.49Å |
| 48 | Q | 29.3 | Very low | 31.3 | Very low | 131 Ų | 131 | 116.7 Ų | 116.7 | 61% | 0.612 | 66% | 0.661 | S | S | * | * | | | trans | -56.8 | 86.9 | 149.3 | -77.1 | -159.2 | -10.2 | 0 | 0 | 102.7 | S46 Y50 | S46-Q48 PolarHBondContact O-N 3.04Å; Q48-Y50 HydrophobicContact CB-CE2 4.41Å; Q48-Y50 PolarHBondContact O-N 3.4Å |
| 49 | N | 27.3 | Very low | 32.3 | Very low | 136 Ų | 136 | 112.5 Ų | 112.5 | 73% | 0.727 | 64% | 0.644 | S | S | * | * | | | trans | -55.2 | 90 | 155.4 | -73.1 | -33.7 | 0 | 0 | 0 | 102.8 | S47 S51 | S47-N49 PolarHBondContact O-N 3.49Å; N49-S51 PolarHBondContact O-N 3.07Å |
| 50 | Y | 28.2 | Very low | 33.1 | Very low | 182 Ų | 182 | 112.4 Ų | 112.4 | 71% | 0.714 | 64% | 0.635 | S | S | * | * | | | trans | -55.3 | 100.7 | 156.7 | -75.2 | -77.4 | 0 | 0 | 0 | 103.3 | Q48 T52 | Q48-Y50 HydrophobicContact CB-CE2 4.41Å; Q48-Y50 PolarHBondContact O-N 3.4Å; Y50-T52 PolarHBondContact O-N 2.92Å |
| 51 | S | 33.1 | Very low | 34.1 | Very low | 89 Ų | 89 | 108.8 Ų | 108.8 | 62% | 0.622 | 62% | 0.616 | S | S | * | * | | | trans | -67.5 | 69.6 | 174.5 | 170.8 | 0 | 0 | 0 | 0 | 107.3 | N49 N53 G54 | N49-S51 PolarHBondContact O-N 3.07Å; S51-N53 PolarHBondContact O-N 2.93Å; S51-G54 PolarHBondContact O-N 3.32Å |
| 52 | T | 37.1 | Very low | 35.1 | Very low | 93 Ų | 93 | 108.4 Ų | 108.4 | 57% | 0.571 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -63.6 | -24.7 | 169.9 | 43.2 | 0 | 0 | 0 | 0 | 110.3 | Y50 G54 L55 | Y50-T52 PolarHBondContact O-N 2.92Å; T52-G54 PolarHBondContact O-N 2.78Å; T52-G54 VanDerWaalsContact O-N 3.17Å; T52-L55 PolarHBondContact O-N 3.41Å |
| 53 | N | 37.2 | Very low | 36 | Very low | 120 Ų | 120 | 104.9 Ų | 104.9 | 64% | 0.642 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -67.4 | -14.2 | 177.3 | -65.3 | -10.8 | 0 | 0 | 0 | 114.4 | S51 N57 | S51-N53 PolarHBondContact O-N 2.93Å; N53-N57 PolarHBondContact O-ND2 3.41Å |
| 54 | G | 36.1 | Very low | 37.1 | Very low | 32 Ų | 32 | 107.3 Ų | 107.3 | 33% | 0.33 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -76.6 | -45.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | S51 T52 Q58 | S51-G54 PolarHBondContact O-N 3.32Å; T52-G54 PolarHBondContact O-N 2.78Å; T52-G54 VanDerWaalsContact O-N 3.17Å; G54-Q58 PolarHBondContact O-N 3.36Å |
| 55 | L | 40.3 | Very low | 37.9 | Very low | 125 Ų | 125 | 104.3 Ų | 104.3 | 65% | 0.654 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -74.3 | -38.6 | -174.3 | -131 | 91.7 | 0 | 0 | 0 | 112.3 | T52 N57 Q58 I59 | T52-L55 PolarHBondContact O-N 3.41Å; L55-N57 VanDerWaalsContact C-N 3.32Å; L55-N57 PolarHBondContact O-N 3.22Å; L55-Q58 PolarHBondContact O-N 3.06Å; L55-I59 HydrophobicContact CD2-CD1 4.2Å; L55-I59 HydrophobicContact CG-CD1 4.46Å; L55-I59 WeakPolarHBondContact O-CG1 3.37Å; L55-I59 PolarHBondContact O-N 2.9Å |
| 56 | D | 41.8 | Very low | 39 | Very low | 93 Ų | 93 | 103.2 Ų | 103.2 | 50% | 0.497 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -64.2 | -37.7 | -177.2 | -77.6 | -24.3 | 0 | 0 | 0 | 112.1 | L60 | D56-L60 PolarHBondContact O-N 2.83Å |
| 57 | N | 36.6 | Very low | 39.9 | Very low | 103 Ų | 103 | 104.1 Ų | 104.1 | 55% | 0.551 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -78.2 | -37.4 | 177.5 | -75.4 | -31.4 | 0 | 0 | 0 | 112.6 | N53 L55 I59 L60 I61 | N53-N57 PolarHBondContact O-ND2 3.41Å; L55-N57 VanDerWaalsContact C-N 3.32Å; L55-N57 PolarHBondContact O-N 3.22Å; N57-I59 VanDerWaalsContact C-N 3.34Å; N57-I59 PolarHBondContact O-N 3.06Å; N57-L60 PolarHBondContact O-N 2.9Å; N57-I61 WeakPolarHBondContact O-CD1 3.4Å; N57-I61 VanDerWaalsContact O-CG1 3.27Å; N57-I61 WeakPolarHBondContact O-CG1 3.45Å; N57-I61 PolarHBondContact O-N 2.74Å; N57-I61 VanDerWaalsContact O-N 3.14Å |
| 58 | Q | 42.4 | Very low | 40.9 | Very low | 116 Ų | 116 | 103.7 Ų | 103.7 | 54% | 0.542 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -61.8 | -42.7 | -179.6 | -148.9 | 79.1 | 45.9 | 0 | 0 | 111.4 | G54 L55 I61 D62 | G54-Q58 PolarHBondContact O-N 3.36Å; L55-Q58 PolarHBondContact O-N 3.06Å; Q58-I61 PolarHBondContact O-N 2.71Å; Q58-D62 PolarHBondContact O-N 3.15Å |
| 59 | I | 48.1 | Very low | 41.8 | Very low | 82 Ų | 82 | 101.1 Ų | 101.1 | 42% | 0.421 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -72.3 | -33.3 | -178.3 | -62.3 | 170.5 | 0 | 0 | 0 | 111.6 | L55 N57 I61 D62 N63 | L55-I59 HydrophobicContact CD2-CD1 4.2Å; L55-I59 HydrophobicContact CG-CD1 4.46Å; L55-I59 WeakPolarHBondContact O-CG1 3.37Å; L55-I59 PolarHBondContact O-N 2.9Å; N57-I59 VanDerWaalsContact C-N 3.34Å; N57-I59 PolarHBondContact O-N 3.06Å; I59-I61 VanDerWaalsContact C-N 3.3Å; I59-I61 PolarHBondContact O-N 3.12Å; I59-D62 PolarHBondContact O-N 2.85Å; I59-N63 WeakPolarHBondContact O-CB 3.48Å; I59-N63 VanDerWaalsContact O-CG 3.24Å; I59-N63 PolarHBondContact O-N 3.22Å; I59-N63 PolarHBondContact O-ND2 2.98Å |
| 60 | L | 41.7 | Very low | 42.8 | Very low | 113 Ų | 113 | 98.6 Ų | 98.6 | 59% | 0.592 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -66.5 | -35.7 | 175.3 | -157.3 | 80.2 | 0 | 0 | 0 | 111.5 | D56 N57 K64 | D56-L60 PolarHBondContact O-N 2.83Å; N57-L60 PolarHBondContact O-N 2.9Å; L60-K64 PolarHBondContact O-N 3.12Å |
| 61 | I | 47.4 | Very low | 43.9 | Very low | 87 Ų | 87 | 95.3 Ų | 95.3 | 45% | 0.446 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -69 | -45.8 | 175.4 | -63.7 | 164.1 | 0 | 0 | 0 | 110.3 | N57 Q58 I59 N63 K64 N65 | N57-I61 WeakPolarHBondContact O-CD1 3.4Å; N57-I61 VanDerWaalsContact O-CG1 3.27Å; N57-I61 WeakPolarHBondContact O-CG1 3.45Å; N57-I61 PolarHBondContact O-N 2.74Å; N57-I61 VanDerWaalsContact O-N 3.14Å; Q58-I61 PolarHBondContact O-N 2.71Å; I59-I61 VanDerWaalsContact C-N 3.3Å; I59-I61 PolarHBondContact O-N 3.12Å; I61-N63 PolarHBondContact O-N 2.99Å; I61-K64 PolarHBondContact O-N 2.79Å; I61-K64 VanDerWaalsContact O-N 3.1Å; I61-N65 PolarHBondContact O-N 2.92Å |
| 62 | D | 46.9 | Very low | 44.7 | Very low | 90 Ų | 90 | 96.5 Ų | 96.5 | 48% | 0.481 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -59.9 | -36.3 | 177.2 | -72.4 | -17.4 | 0 | 0 | 0 | 111.9 | Q58 I59 N65 T66 | Q58-D62 PolarHBondContact O-N 3.15Å; I59-D62 PolarHBondContact O-N 2.85Å; D62-N65 PolarHBondContact O-N 2.76Å; D62-T66 PolarHBondContact O-N 2.76Å; D62-T66 PolarHBondContact O-OG1 2.97Å |
| 63 | N | 46.2 | Very low | 45.6 | Very low | 48 Ų | 48 | 99.7 Ų | 99.7 | 26% | 0.257 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.8 | -36.4 | 176.2 | -79.2 | -45.7 | 0 | 0 | 0 | 113.3 | I59 I61 L67 R85 | I59-N63 WeakPolarHBondContact O-CB 3.48Å; I59-N63 VanDerWaalsContact O-CG 3.24Å; I59-N63 PolarHBondContact O-N 3.22Å; I59-N63 PolarHBondContact O-ND2 2.98Å; I61-N63 PolarHBondContact O-N 2.99Å; N63-L67 WeakPolarHBondContact O-CD1 3.12Å; N63-L67 PolarHBondContact O-N 2.83Å; N63-R85 PolarHBondContact OD1-NH2 3.18Å |
| 64 | K | 48.2 | Very low | 47.2 | Very low | 162 Ų | 162 | 98.6 Ų | 98.6 | 70% | 0.704 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -72.7 | -42.2 | 176.2 | -89.2 | -176 | 175.9 | 177.8 | 0 | 111.4 | L60 I61 L67 S68 | L60-K64 PolarHBondContact O-N 3.12Å; I61-K64 PolarHBondContact O-N 2.79Å; I61-K64 VanDerWaalsContact O-N 3.1Å; K64-L67 PolarHBondContact O-N 3.39Å; K64-S68 PolarHBondContact O-N 3.36Å; K64-S68 PolarHBondContact O-OG 3.11Å |
| 65 | N | 46.5 | Very low | 49.1 | Very low | 99 Ų | 99 | 104.4 Ų | 104.4 | 53% | 0.529 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -68.4 | -36.3 | -177.2 | -68.4 | -15 | 0 | 0 | 0 | 112.6 | I61 D62 S68 S69 | I61-N65 PolarHBondContact O-N 2.92Å; D62-N65 PolarHBondContact O-N 2.76Å; N65-S68 WeakPolarHBondContact CA-OG 3.34Å; N65-S68 PolarHBondContact O-N 2.8Å; N65-S68 PolarHBondContact O-OG 3.29Å; N65-S69 PolarHBondContact O-N 3.47Å |
| 66 | T | 49 | Very low | 50.9 | Low | 80 Ų | 80 | 106.4 Ų | 106.4 | 49% | 0.491 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -71.8 | -32.4 | 174.9 | 32.3 | 0 | 0 | 0 | 0 | 113.3 | D62 S68 S69 | D62-T66 PolarHBondContact O-N 2.76Å; D62-T66 PolarHBondContact O-OG1 2.97Å; T66-S68 VanDerWaalsContact C-N 3.3Å; T66-S68 PolarHBondContact O-N 3.26Å; T66-S69 PolarHBondContact O-N 3Å |
| 67 | L | 47 | Very low | 52.6 | Low | 114 Ų | 114 | 107.4 Ų | 107.4 | 60% | 0.597 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -67.5 | -32 | 174.9 | -102.1 | 140 | 0 | 0 | 0 | 112.3 | N63 K64 L70 | N63-L67 WeakPolarHBondContact O-CD1 3.12Å; N63-L67 PolarHBondContact O-N 2.83Å; K64-L67 PolarHBondContact O-N 3.39Å; L67-L70 WeakPolarHBondContact O-CB 3.5Å |
| 68 | S | 49.3 | Very low | 54.7 | Low | 83 Ų | 83 | 105.5 Ų | 105.5 | 58% | 0.58 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -75.4 | -23.9 | 176.4 | 43.8 | 0 | 0 | 0 | 0 | 114.8 | K64 N65 T66 L70 | K64-S68 PolarHBondContact O-N 3.36Å; K64-S68 PolarHBondContact O-OG 3.11Å; N65-S68 WeakPolarHBondContact CA-OG 3.34Å; N65-S68 PolarHBondContact O-N 2.8Å; N65-S68 PolarHBondContact O-OG 3.29Å; T66-S68 VanDerWaalsContact C-N 3.3Å; T66-S68 PolarHBondContact O-N 3.26Å; S68-L70 VanDerWaalsContact C-N 3.28Å |
| 69 | S | 47.4 | Very low | 56.6 | Low | 76 Ų | 76 | 105.3 Ų | 105.3 | 53% | 0.531 | 56% | 0.559 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85.5 | -2.3 | 175.6 | 86.6 | 0 | 0 | 0 | 0 | 113.8 | N65 T66 T71 | N65-S69 PolarHBondContact O-N 3.47Å; T66-S69 PolarHBondContact O-N 3Å; S69-T71 PolarHBondContact O-N 2.94Å |
| 70 | L | 47.6 | Very low | 58.3 | Low | 83 Ų | 83 | 104.8 Ų | 104.8 | 44% | 0.435 | 56% | 0.557 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80 | 24.9 | -176.7 | -133.4 | 76 | 0 | 0 | 0 | 113.5 | L67 S68 N72 L78 | L67-L70 WeakPolarHBondContact O-CB 3.5Å; S68-L70 VanDerWaalsContact C-N 3.28Å; L70-N72 VanDerWaalsContact C-N 3.33Å; L70-L78 HydrophobicContact CD1-CD2 3.83Å; L70-L78 HydrophobicContact CD1-CG 3.98Å; L70-L78 HydrophobicContact CD2-CD2 3.27Å; L70-L78 HydrophobicContact CD2-CG 4.16Å; L70-L78 HydrophobicContact CG-CD1 4.43Å; L70-L78 HydrophobicContact CG-CD2 3.56Å; L70-L78 HydrophobicContact CG-CG 3.89Å |
| 71 | T | 52 | Low | 60.3 | Low | 113 Ų | 113 | 101.3 Ų | 101.3 | 69% | 0.693 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | -4.2 | 169.4 | 43.2 | 0 | 0 | 0 | 0 | 112.8 | S69 | S69-T71 PolarHBondContact O-N 2.94Š|
| 72 | N | 50.1 | Low | 62.1 | Low | 115 Ų | 115 | 102.1 Ų | 102.1 | 62% | 0.615 | 55% | 0.554 | S | S | * | * | S | Bend | trans | -93.2 | 125.7 | -178.7 | -69.7 | -16.3 | 0 | 0 | 0 | 110.7 | L70 N74 | L70-N72 VanDerWaalsContact C-N 3.33Å; N72-N74 PolarHBondContact O-N 3.3Å |
| 73 | N | 55.9 | Low | 64.1 | Low | 160 Ų | 160 | 104 Ų | 104 | 86% | 0.856 | 56% | 0.555 | S | S | * | * | | | trans | -58.2 | 25.8 | -174.1 | -60 | -44.5 | 0 | 0 | 0 | 116.8 | | |
| 74 | N | 69.7 | Low | 66.2 | Low | 97 Ų | 97 | 107.5 Ų | 107.5 | 52% | 0.519 | 57% | 0.568 | S | S | . | * | | | trans | -102.1 | 88.3 | -179.8 | -75.4 | -4.8 | 0 | 0 | 0 | 109.6 | N72 E76 L77 L78 | N72-N74 PolarHBondContact O-N 3.3Å; N74-E76 PolarHBondContact O-N 3.23Å; N74-E76 VanDerWaalsContact O-N 3.1Å; N74-L77 HydrophobicContact CB-CB 4.33Å; N74-L77 HydrophobicContact CB-CD1 3.94Å; N74-L77 HydrophobicContact CB-CG 4.14Å; N74-L77 PolarHBondContact O-N 3.19Å; N74-L78 PolarHBondContact O-N 3.13Å |
| 75 | E | 77.3 | Confident | 68.2 | Low | 153 Ų | 153 | 104.6 Ų | 104.6 | 72% | 0.715 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -51 | -30.8 | 173.5 | -65.6 | -175.1 | 162 | 0 | 0 | 112.6 | L78 I79 | E75-L78 VanDerWaalsContact O-CB 3.26Å; E75-L78 WeakPolarHBondContact O-CB 3.48Å; E75-L78 PolarHBondContact O-N 3.03Å; E75-I79 VanDerWaalsContact O-CG1 3.27Å; E75-I79 WeakPolarHBondContact O-CG1 3.37Å; E75-I79 PolarHBondContact O-N 2.94Å |
| 76 | E | 78.8 | Confident | 70.5 | Confident | 167 Ų | 167 | 107.7 Ų | 107.7 | 78% | 0.78 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -64.1 | -41.5 | 176.9 | -69 | -171.6 | 163.3 | 0 | 0 | 113.6 | N74 L78 I79 D80 | N74-E76 PolarHBondContact O-N 3.23Å; N74-E76 VanDerWaalsContact O-N 3.1Å; E76-L78 VanDerWaalsContact C-N 3.29Å; E76-L78 PolarHBondContact O-N 2.97Å; E76-I79 PolarHBondContact O-N 3.16Å; E76-D80 PolarHBondContact O-N 3.08Å |
| 77 | L | 77.2 | Confident | 72.5 | Confident | 115 Ų | 115 | 108 Ų | 108 | 60% | 0.602 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -67.9 | -34.9 | 178.1 | -73.2 | 173.8 | 0 | 0 | 0 | 111.4 | N74 G81 | N74-L77 HydrophobicContact CB-CB 4.33Å; N74-L77 HydrophobicContact CB-CD1 3.94Å; N74-L77 HydrophobicContact CB-CG 4.14Å; N74-L77 PolarHBondContact O-N 3.19Å; L77-G81 PolarHBondContact O-N 3.15Å |
| 78 | L | 79.2 | Confident | 74.6 | Confident | 62 Ų | 62 | 107.7 Ų | 107.7 | 33% | 0.325 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -61.1 | -47.4 | 172.7 | -96.6 | 155.5 | 0 | 0 | 0 | 111.6 | L70 N74 E75 E76 G81 L82 | L70-L78 HydrophobicContact CD1-CD2 3.83Å; L70-L78 HydrophobicContact CD1-CG 3.98Å; L70-L78 HydrophobicContact CD2-CD2 3.27Å; L70-L78 HydrophobicContact CD2-CG 4.16Å; L70-L78 HydrophobicContact CG-CD1 4.43Å; L70-L78 HydrophobicContact CG-CD2 3.56Å; L70-L78 HydrophobicContact CG-CG 3.89Å; N74-L78 PolarHBondContact O-N 3.13Å; E75-L78 VanDerWaalsContact O-CB 3.26Å; E75-L78 WeakPolarHBondContact O-CB 3.48Å; E75-L78 PolarHBondContact O-N 3.03Å; E76-L78 VanDerWaalsContact C-N 3.29Å; E76-L78 PolarHBondContact O-N 2.97Å; L78-G81 PolarHBondContact O-N 3.16Å; L78-L82 WeakPolarHBondContact O-CG 3.4Å; L78-L82 PolarHBondContact O-N 3.35Å |
| 79 | I | 83.2 | Confident | 76.7 | Confident | 112 Ų | 112 | 108.4 Ų | 108.4 | 57% | 0.574 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -64.7 | -44.7 | 178.9 | -68.1 | 165.7 | 0 | 0 | 0 | 110.7 | E75 E76 G81 L82 Y83 | E75-I79 VanDerWaalsContact O-CG1 3.27Å; E75-I79 WeakPolarHBondContact O-CG1 3.37Å; E75-I79 PolarHBondContact O-N 2.94Å; E76-I79 PolarHBondContact O-N 3.16Å; I79-G81 VanDerWaalsContact C-N 3.35Å; I79-G81 PolarHBondContact O-N 3.08Å; I79-L82 PolarHBondContact O-N 3.31Å; I79-Y83 WeakPolarHBondContact O-CB 3.15Å; I79-Y83 PolarHBondContact O-N 3.33Å |
| 80 | D | 83.4 | Confident | 78.8 | Confident | 71 Ų | 71 | 108.8 Ų | 108.8 | 38% | 0.38 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62 | -41.9 | 176.6 | -175.2 | 54.4 | 0 | 0 | 0 | 111.8 | E76 L82 Y83 K84 | E76-D80 PolarHBondContact O-N 3.08Å; D80-L82 PolarHBondContact O-N 2.85Å; D80-Y83 PolarHBondContact O-N 3.28Å; D80-K84 PolarHBondContact O-N 3.46Å; D80-K84 WeakPolarHBondContact OD2-CE 3.26Å; D80-K84 IonicContact OD2-NZ 2.71Å; D80-K84 PolarHBondContact OD2-NZ 2.84Å |
| 81 | G | 85 | Confident | 80.8 | Confident | 40 Ų | 40 | 110.9 Ų | 110.9 | 41% | 0.412 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -61.2 | -43.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | L77 L78 I79 K84 R85 | L77-G81 PolarHBondContact O-N 3.15Å; L78-G81 PolarHBondContact O-N 3.16Å; I79-G81 VanDerWaalsContact C-N 3.35Å; I79-G81 PolarHBondContact O-N 3.08Å; G81-K84 PolarHBondContact O-N 3.08Å; G81-R85 PolarHBondContact O-N 3.28Å |
| 82 | L | 85.2 | Confident | 82.5 | Confident | 105 Ų | 105 | 112.7 Ų | 112.7 | 55% | 0.55 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -66.2 | -38.3 | 175.6 | -71.6 | 174.7 | 0 | 0 | 0 | 112.1 | L78 I79 D80 R85 R86 | L78-L82 WeakPolarHBondContact O-CG 3.4Å; L78-L82 PolarHBondContact O-N 3.35Å; I79-L82 PolarHBondContact O-N 3.31Å; D80-L82 PolarHBondContact O-N 2.85Å; L82-R85 PolarHBondContact O-N 2.73Å; L82-R86 PolarHBondContact O-N 2.94Å |
| 83 | Y | 87.5 | Confident | 84.5 | Confident | 129 Ų | 129 | 112.1 Ų | 112.1 | 51% | 0.506 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63 | -47.3 | 176.1 | -173.8 | -95.3 | 0 | 0 | 0 | 111.3 | I79 D80 R85 R86 Q87 | I79-Y83 WeakPolarHBondContact O-CB 3.15Å; I79-Y83 PolarHBondContact O-N 3.33Å; D80-Y83 PolarHBondContact O-N 3.28Å; Y83-R85 PolarHBondContact O-N 2.74Å; Y83-R86 WeakPolarHBondContact O-CB 3.41Å; Y83-R86 PolarHBondContact O-N 3.21Å; Y83-Q87 HydrophobicContact CD1-CG 4.24Å; Y83-Q87 HydrophobicContact CE1-CG 3.9Å; Y83-Q87 WeakPolarHBondContact O-CG 3.35Å; Y83-Q87 PolarHBondContact O-N 3Å; Y83-Q87 PolarHBondContact OH-NE2 2.81Å; Y83-Q87 VanDerWaalsContact OH-NE2 3.09Å |
| 84 | K | 90.6 | Very high | 86.1 | Confident | 121 Ų | 121 | 107.2 Ų | 107.2 | 53% | 0.526 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -58.9 | -43.8 | 174.2 | -78 | 170.7 | 177.1 | 156.7 | 0 | 112.2 | D80 G81 R86 Q87 L88 | D80-K84 PolarHBondContact O-N 3.46Å; D80-K84 WeakPolarHBondContact OD2-CE 3.26Å; D80-K84 IonicContact OD2-NZ 2.71Å; D80-K84 PolarHBondContact OD2-NZ 2.84Å; G81-K84 PolarHBondContact O-N 3.08Å; K84-R86 VanDerWaalsContact C-N 3.35Å; K84-R86 PolarHBondContact O-N 2.76Å; K84-Q87 PolarHBondContact O-N 3.36Å; K84-L88 PolarHBondContact O-N 3.14Å |
| 85 | R | 90.9 | Very high | 87.1 | Confident | 102 Ų | 102 | 106.7 Ų | 106.7 | 39% | 0.385 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.1 | -42.6 | 175.9 | -179.8 | 178.9 | -91.4 | 164.2 | -5.2 | 111.9 | N63 G81 L82 Y83 Q87 L88 L89 | N63-R85 PolarHBondContact OD1-NH2 3.18Å; G81-R85 PolarHBondContact O-N 3.28Å; L82-R85 PolarHBondContact O-N 2.73Å; Y83-R85 PolarHBondContact O-N 2.74Å; R85-Q87 VanDerWaalsContact C-N 3.32Å; R85-Q87 PolarHBondContact O-N 2.75Å; R85-L88 PolarHBondContact O-N 3.06Å; R85-L89 HydrophobicContact CG-CD1 4.14Å; R85-L89 WeakPolarHBondContact O-CG 3.27Å; R85-L89 PolarHBondContact O-N 3.24Å |
| 86 | R | 94.2 | Very high | 87.8 | Confident | 163 Ų | 163 | 104.2 Ų | 104.2 | 62% | 0.615 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -60.2 | -43.5 | 175.8 | -180 | -177.4 | 175.5 | -172.3 | -1.1 | 111.3 | L82 Y83 K84 L89 L90 | L82-R86 PolarHBondContact O-N 2.94Å; Y83-R86 WeakPolarHBondContact O-CB 3.41Å; Y83-R86 PolarHBondContact O-N 3.21Å; K84-R86 VanDerWaalsContact C-N 3.35Å; K84-R86 PolarHBondContact O-N 2.76Å; R86-L89 PolarHBondContact O-N 2.8Å; R86-L90 HydrophobicContact CG-CD1 4.1Å; R86-L90 WeakPolarHBondContact O-CG 3.22Å; R86-L90 PolarHBondContact O-N 2.8Å |
| 87 | Q | 91.2 | Very high | 88.4 | Confident | 86 Ų | 86 | 100.9 Ų | 100.9 | 40% | 0.402 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63 | -44.1 | 178.8 | -68.4 | -63.4 | -7.3 | 0 | 0 | 112 | Y83 K84 R85 L89 L90 Q91 | Y83-Q87 HydrophobicContact CD1-CG 4.24Å; Y83-Q87 HydrophobicContact CE1-CG 3.9Å; Y83-Q87 WeakPolarHBondContact O-CG 3.35Å; Y83-Q87 PolarHBondContact O-N 3Å; Y83-Q87 PolarHBondContact OH-NE2 2.81Å; Y83-Q87 VanDerWaalsContact OH-NE2 3.09Å; K84-Q87 PolarHBondContact O-N 3.36Å; R85-Q87 VanDerWaalsContact C-N 3.32Å; R85-Q87 PolarHBondContact O-N 2.75Å; Q87-L89 PolarHBondContact O-N 3.39Å; Q87-L90 PolarHBondContact O-N 2.85Å; Q87-Q91 PolarHBondContact O-N 3.36Å |
| 88 | L | 91.5 | Very high | 89 | Confident | 108 Ų | 108 | 101.5 Ų | 101.5 | 57% | 0.565 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -61.6 | -41.4 | 175.7 | -72.7 | 168.9 | 0 | 0 | 0 | 112.5 | K84 R85 Q91 R92 | K84-L88 PolarHBondContact O-N 3.14Å; R85-L88 PolarHBondContact O-N 3.06Å; L88-Q91 PolarHBondContact O-N 2.81Å; L88-R92 PolarHBondContact O-N 3.05Å |
| 89 | L | 92.6 | Very high | 89.6 | Confident | 98 Ų | 98 | 104.9 Ų | 104.9 | 51% | 0.513 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.7 | -40 | 176.9 | -75.1 | 170 | 0 | 0 | 0 | 112.3 | R85 R86 Q87 Q91 R92 L93 | R85-L89 HydrophobicContact CG-CD1 4.14Å; R85-L89 WeakPolarHBondContact O-CG 3.27Å; R85-L89 PolarHBondContact O-N 3.24Å; R86-L89 PolarHBondContact O-N 2.8Å; Q87-L89 PolarHBondContact O-N 3.39Å; L89-Q91 VanDerWaalsContact C-N 3.35Å; L89-R92 PolarHBondContact O-N 2.95Å; L89-L93 WeakPolarHBondContact O-CG 3.35Å; L89-L93 PolarHBondContact O-N 3.49Å |
| 90 | L | 91.1 | Very high | 89.9 | Confident | 84 Ų | 84 | 106.9 Ų | 106.9 | 44% | 0.44 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.1 | -39.9 | 175.7 | -73.3 | 171.4 | 0 | 0 | 0 | 111.7 | R86 Q87 L93 S94 | R86-L90 HydrophobicContact CG-CD1 4.1Å; R86-L90 WeakPolarHBondContact O-CG 3.22Å; R86-L90 PolarHBondContact O-N 2.8Å; Q87-L90 PolarHBondContact O-N 2.85Å; L90-L93 PolarHBondContact O-N 2.72Å; L90-S94 PolarHBondContact O-N 3.42Å |
| 91 | Q | 90.6 | Very high | 90.1 | Very high | 127 Ų | 127 | 108.6 Ų | 108.6 | 59% | 0.593 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.5 | -45.2 | 174.1 | -170.3 | 177.8 | 19.7 | 0 | 0 | 111.1 | Q87 L88 L89 S94 V95 | Q87-Q91 PolarHBondContact O-N 3.36Å; L88-Q91 PolarHBondContact O-N 2.81Å; L89-Q91 VanDerWaalsContact C-N 3.35Å; Q91-S94 PolarHBondContact O-N 3.3Å; Q91-S94 PolarHBondContact O-OG 2.83Å; Q91-V95 PolarHBondContact O-N 2.77Å |
| 92 | R | 88.3 | Confident | 90.3 | Very high | 152 Ų | 152 | 111.7 Ų | 111.7 | 57% | 0.574 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.6 | -46.1 | 176.1 | -175.1 | 175.6 | 178 | 158.8 | 4.7 | 112.5 | L88 L89 S94 V95 E96 | L88-R92 PolarHBondContact O-N 3.05Å; L89-R92 PolarHBondContact O-N 2.95Å; R92-S94 PolarHBondContact O-N 3.42Å; R92-V95 PolarHBondContact O-N 3.24Å; R92-V95 VanDerWaalsContact O-N 3.13Å; R92-E96 IonicContact NE-OE2 3.92Å; R92-E96 PolarHBondContact O-N 3.45Å |
| 93 | L | 91.6 | Very high | 90.4 | Very high | 102 Ų | 102 | 111.3 Ų | 111.3 | 53% | 0.534 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -58.7 | -37.8 | 176.8 | -77.1 | 170.1 | 0 | 0 | 0 | 111.8 | L89 L90 V95 E96 I97 | L89-L93 WeakPolarHBondContact O-CG 3.35Å; L89-L93 PolarHBondContact O-N 3.49Å; L90-L93 PolarHBondContact O-N 2.72Å; L93-V95 VanDerWaalsContact C-N 3.33Å; L93-V95 PolarHBondContact O-N 3.47Å; L93-E96 PolarHBondContact O-N 3.23Å; L93-I97 WeakPolarHBondContact O-CB 3.45Å; L93-I97 WeakPolarHBondContact O-CD1 3.41Å; L93-I97 VanDerWaalsContact O-CG1 3.22Å; L93-I97 WeakPolarHBondContact O-CG1 3.27Å; L93-I97 PolarHBondContact O-N 3.49Å |
| 94 | S | 89.7 | Confident | 90.3 | Very high | 57 Ų | 57 | 106.4 Ų | 106.4 | 40% | 0.399 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.8 | -37.9 | 176.9 | 74 | 0 | 0 | 0 | 0 | 113.1 | L90 Q91 R92 Q98 | L90-S94 PolarHBondContact O-N 3.42Å; Q91-S94 PolarHBondContact O-N 3.3Å; Q91-S94 PolarHBondContact O-OG 2.83Å; R92-S94 PolarHBondContact O-N 3.42Å; S94-Q98 WeakPolarHBondContact O-CG 3.47Å; S94-Q98 PolarHBondContact O-N 2.75Å |
| 95 | V | 90.8 | Very high | 89.9 | Confident | 87 Ų | 87 | 107.9 Ų | 107.9 | 53% | 0.527 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -70.2 | -41.1 | 175.5 | 176.5 | 0 | 0 | 0 | 0 | 111 | Q91 R92 L93 I97 Q98 K99 | Q91-V95 PolarHBondContact O-N 2.77Å; R92-V95 PolarHBondContact O-N 3.24Å; R92-V95 VanDerWaalsContact O-N 3.13Å; L93-V95 VanDerWaalsContact C-N 3.33Å; L93-V95 PolarHBondContact O-N 3.47Å; V95-I97 PolarHBondContact O-N 3.05Å; V95-Q98 PolarHBondContact O-N 2.85Å; V95-K99 PolarHBondContact O-N 3.07Å |
| 96 | E | 90.3 | Very high | 89.6 | Confident | 100 Ų | 100 | 106.5 Ų | 106.5 | 47% | 0.467 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.8 | -40.8 | 178.4 | -149.9 | 93.5 | -137.9 | 0 | 0 | 111.5 | R92 L93 K99 Y100 | R92-E96 IonicContact NE-OE2 3.92Å; R92-E96 PolarHBondContact O-N 3.45Å; L93-E96 PolarHBondContact O-N 3.23Å; E96-K99 WeakPolarHBondContact O-CB 3.11Å; E96-K99 PolarHBondContact O-N 3.1Å; E96-Y100 PolarHBondContact O-N 2.69Å |
| 97 | I | 91.8 | Very high | 88.9 | Confident | 98 Ų | 98 | 104.4 Ų | 104.4 | 50% | 0.503 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.3 | -44.6 | 175.5 | -70.1 | 164.7 | 0 | 0 | 0 | 110.7 | L93 V95 K99 Y100 E101 | L93-I97 WeakPolarHBondContact O-CB 3.45Å; L93-I97 WeakPolarHBondContact O-CD1 3.41Å; L93-I97 VanDerWaalsContact O-CG1 3.22Å; L93-I97 WeakPolarHBondContact O-CG1 3.27Å; L93-I97 PolarHBondContact O-N 3.49Å; V95-I97 PolarHBondContact O-N 3.05Å; I97-K99 VanDerWaalsContact C-N 3.29Å; I97-K99 PolarHBondContact O-N 2.74Å; I97-Y100 PolarHBondContact O-N 2.74Å; I97-E101 WeakPolarHBondContact O-CG 3.44Å; I97-E101 PolarHBondContact O-N 3Å |
| 98 | Q | 90 | Very high | 88 | Confident | 127 Ų | 127 | 102.6 Ų | 102.6 | 59% | 0.593 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -61.4 | -38.8 | 176.2 | -75.3 | 178.4 | -10 | 0 | 0 | 112.2 | S94 V95 E101 Q102 | S94-Q98 WeakPolarHBondContact O-CG 3.47Å; S94-Q98 PolarHBondContact O-N 2.75Å; V95-Q98 PolarHBondContact O-N 2.85Å; Q98-E101 PolarHBondContact O-N 3.43Å; Q98-Q102 PolarHBondContact O-N 3.23Å |
| 99 | K | 92.6 | Very high | 87.2 | Confident | 134 Ų | 134 | 101.4 Ų | 101.4 | 58% | 0.583 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64.9 | -40.9 | 175.2 | -172.5 | -179.2 | 177.9 | -174.9 | 0 | 111.7 | V95 E96 I97 Q102 L103 | V95-K99 PolarHBondContact O-N 3.07Å; E96-K99 WeakPolarHBondContact O-CB 3.11Å; E96-K99 PolarHBondContact O-N 3.1Å; I97-K99 VanDerWaalsContact C-N 3.29Å; I97-K99 PolarHBondContact O-N 2.74Å; K99-Q102 PolarHBondContact O-N 2.73Å; K99-L103 WeakPolarHBondContact O-CG 3.43Å; K99-L103 PolarHBondContact O-N 2.92Å |
| 100 | Y | 89.6 | Confident | 86.5 | Confident | 154 Ų | 154 | 103.7 Ų | 103.7 | 60% | 0.604 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -65 | -44 | 175.5 | -173.7 | -92.8 | 0 | 0 | 0 | 111.8 | E96 I97 Q102 L103 C104 | E96-Y100 PolarHBondContact O-N 2.69Å; I97-Y100 PolarHBondContact O-N 2.74Å; Y100-Q102 VanDerWaalsContact C-N 3.31Å; Y100-Q102 PolarHBondContact O-N 3Å; Y100-L103 PolarHBondContact O-N 3.02Å; Y100-C104 WeakPolarHBondContact CE1-SG 3.48Å; Y100-C104 PolarHBondContact O-N 3.16Å; Y100-C104 PolarHBondContact O-SG 2.68Å |
| 101 | E | 87.4 | Confident | 85.7 | Confident | 106 Ų | 106 | 103.1 Ų | 103.1 | 50% | 0.495 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -58 | -44 | 174.2 | -74.9 | -179.9 | 174.4 | 0 | 0 | 111.3 | I97 Q98 C104 W105 | I97-E101 WeakPolarHBondContact O-CG 3.44Å; I97-E101 PolarHBondContact O-N 3Å; Q98-E101 PolarHBondContact O-N 3.43Å; E101-C104 PolarHBondContact O-N 2.99Å; E101-W105 PolarHBondContact O-N 2.85Å |
| 102 | Q | 87.7 | Confident | 84.6 | Confident | 106 Ų | 106 | 100.3 Ų | 100.3 | 50% | 0.495 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.1 | -43.7 | 175.9 | -173.9 | 61.3 | 45.9 | 0 | 0 | 112.2 | Q98 K99 Y100 C104 W105 D106 | Q98-Q102 PolarHBondContact O-N 3.23Å; K99-Q102 PolarHBondContact O-N 2.73Å; Y100-Q102 VanDerWaalsContact C-N 3.31Å; Y100-Q102 PolarHBondContact O-N 3Å; Q102-C104 VanDerWaalsContact C-N 3.31Å; Q102-C104 PolarHBondContact O-N 2.79Å; Q102-W105 WeakPolarHBondContact O-CB 3.46Å; Q102-W105 PolarHBondContact O-N 2.74Å; Q102-W105 VanDerWaalsContact O-N 3.13Å; Q102-D106 PolarHBondContact NE2-OD1 3.04Å; Q102-D106 VanDerWaalsContact O-CG 3.27Å; Q102-D106 PolarHBondContact O-N 3.03Å |
| 103 | L | 87.6 | Confident | 83.4 | Confident | 96 Ų | 96 | 97.4 Ų | 97.4 | 50% | 0.503 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.7 | -39.1 | 176.6 | -74.8 | 169.1 | 0 | 0 | 0 | 112.1 | K99 Y100 W105 D106 E107 | K99-L103 WeakPolarHBondContact O-CG 3.43Å; K99-L103 PolarHBondContact O-N 2.92Å; Y100-L103 PolarHBondContact O-N 3.02Å; L103-W105 VanDerWaalsContact C-N 3.33Å; L103-W105 PolarHBondContact O-N 3.05Å; L103-D106 PolarHBondContact O-N 3.08Å; L103-E107 WeakPolarHBondContact O-CB 3.42Å; L103-E107 PolarHBondContact O-N 2.86Å |
| 104 | C | 85.9 | Confident | 81.7 | Confident | 26 Ų | 26 | 98.1 Ų | 98.1 | 18% | 0.176 | 52% | 0.521 | C | S | . | . | H | α-helix | trans | -62.8 | -40 | 173.7 | -70.7 | 0 | 0 | 0 | 0 | 111.8 | Y100 E101 Q102 E107 M108 | Y100-C104 WeakPolarHBondContact CE1-SG 3.48Å; Y100-C104 PolarHBondContact O-N 3.16Å; Y100-C104 PolarHBondContact O-SG 2.68Å; E101-C104 PolarHBondContact O-N 2.99Å; Q102-C104 VanDerWaalsContact C-N 3.31Å; Q102-C104 PolarHBondContact O-N 2.79Å; C104-E107 PolarHBondContact O-N 2.96Å; C104-M108 WeakPolarHBondContact O-CB 3.47Å; C104-M108 VanDerWaalsContact O-CG 3.28Å; C104-M108 WeakPolarHBondContact O-CG 3.48Å; C104-M108 PolarHBondContact O-N 2.81Å |
| 105 | W | 82.1 | Confident | 79.9 | Confident | 152 Ų | 152 | 99 Ų | 99 | 58% | 0.576 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.7 | -42 | 174.5 | -77.3 | 113 | 0 | 0 | 0 | 112.4 | E101 Q102 L103 M108 A109 | E101-W105 PolarHBondContact O-N 2.85Å; Q102-W105 WeakPolarHBondContact O-CB 3.46Å; Q102-W105 PolarHBondContact O-N 2.74Å; Q102-W105 VanDerWaalsContact O-N 3.13Å; L103-W105 VanDerWaalsContact C-N 3.33Å; L103-W105 PolarHBondContact O-N 3.05Å; W105-M108 HydrophobicContact CE3-CE 4.44Å; W105-M108 HydrophobicContact CE3-SD 4.42Å; W105-M108 HydrophobicContact CZ3-CE 4.1Å; W105-M108 PolarHBondContact O-N 3.32Å; W105-A109 WeakPolarHBondContact O-CB 3.48Å; W105-A109 PolarHBondContact O-N 3.44Å |
| 106 | D | 84.7 | Confident | 77.8 | Confident | 74 Ų | 74 | 99.8 Ų | 99.8 | 40% | 0.396 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.5 | -41.7 | 177.9 | -64.8 | -13.7 | 0 | 0 | 0 | 110.8 | Q102 L103 A109 I110 | Q102-D106 PolarHBondContact NE2-OD1 3.04Å; Q102-D106 VanDerWaalsContact O-CG 3.27Å; Q102-D106 PolarHBondContact O-N 3.03Å; L103-D106 PolarHBondContact O-N 3.08Å; D106-A109 PolarHBondContact O-N 3.06Å; D106-I110 WeakPolarHBondContact O-CD1 3.49Å; D106-I110 VanDerWaalsContact O-CG1 3.25Å; D106-I110 WeakPolarHBondContact O-CG1 3.33Å; D106-I110 PolarHBondContact O-N 3.11Å |
| 107 | E | 78.8 | Confident | 75.8 | Confident | 119 Ų | 119 | 101.8 Ų | 101.8 | 56% | 0.556 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64.6 | -41.2 | 175.2 | -172.3 | 175.8 | -171.2 | 0 | 0 | 111.9 | L103 C104 A109 I110 T111 | L103-E107 WeakPolarHBondContact O-CB 3.42Å; L103-E107 PolarHBondContact O-N 2.86Å; C104-E107 PolarHBondContact O-N 2.96Å; E107-A109 VanDerWaalsContact C-N 3.32Å; E107-A109 PolarHBondContact O-N 3.35Å; E107-I110 PolarHBondContact O-N 3.14Å; E107-T111 HydrophobicContact CG-CG2 4.27Å; E107-T111 WeakPolarHBondContact O-CB 3.27Å; E107-T111 WeakPolarHBondContact O-CG2 3.42Å; E107-T111 PolarHBondContact O-N 3.39Å; E107-T111 PolarHBondContact O-OG1 2.79Å |
| 108 | M | 73.6 | Confident | 73.7 | Confident | 48 Ų | 48 | 99.7 Ų | 99.7 | 24% | 0.236 | 53% | 0.526 | C | S | . | . | H | α-helix | trans | -62.7 | -38.7 | 172.6 | -77.6 | 179.7 | 58.3 | 0 | 0 | 112.1 | C104 W105 I110 G112 L115 | C104-M108 WeakPolarHBondContact O-CB 3.47Å; C104-M108 VanDerWaalsContact O-CG 3.28Å; C104-M108 WeakPolarHBondContact O-CG 3.48Å; C104-M108 PolarHBondContact O-N 2.81Å; W105-M108 HydrophobicContact CE3-CE 4.44Å; W105-M108 HydrophobicContact CE3-SD 4.42Å; W105-M108 HydrophobicContact CZ3-CE 4.1Å; W105-M108 PolarHBondContact O-N 3.32Å; M108-I110 VanDerWaalsContact C-N 3.33Å; M108-G112 WeakPolarHBondContact O-CA 3.4Å; M108-G112 PolarHBondContact O-N 2.97Å; M108-L115 HydrophobicContact CG-CD1 3.96Å; M108-L115 HydrophobicContact SD-CD1 4.01Å |
| 109 | A | 75 | Confident | 71.3 | Confident | 83 Ų | 83 | 98.4 Ų | 98.4 | 69% | 0.686 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -67.5 | -33.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | W105 D106 E107 | W105-A109 WeakPolarHBondContact O-CB 3.48Å; W105-A109 PolarHBondContact O-N 3.44Å; D106-A109 PolarHBondContact O-N 3.06Å; E107-A109 VanDerWaalsContact C-N 3.32Å; E107-A109 PolarHBondContact O-N 3.35Å |
| 110 | I | 77.7 | Confident | 68.9 | Low | 146 Ų | 146 | 99 Ų | 99 | 75% | 0.749 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -77.9 | -46.5 | 178.1 | -66.3 | 163.3 | 0 | 0 | 0 | 111.6 | D106 E107 M108 | D106-I110 WeakPolarHBondContact O-CD1 3.49Å; D106-I110 VanDerWaalsContact O-CG1 3.25Å; D106-I110 WeakPolarHBondContact O-CG1 3.33Å; D106-I110 PolarHBondContact O-N 3.11Å; E107-I110 PolarHBondContact O-N 3.14Å; M108-I110 VanDerWaalsContact C-N 3.33Å |
| 111 | T | 74.8 | Confident | 66.6 | Low | 72 Ų | 72 | 98.2 Ų | 98.2 | 44% | 0.442 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -79.7 | -24 | -174.2 | 55.4 | 0 | 0 | 0 | 0 | 112.7 | E107 T113 | E107-T111 HydrophobicContact CG-CG2 4.27Å; E107-T111 WeakPolarHBondContact O-CB 3.27Å; E107-T111 WeakPolarHBondContact O-CG2 3.42Å; E107-T111 PolarHBondContact O-N 3.39Å; E107-T111 PolarHBondContact O-OG1 2.79Å; T111-T113 WeakPolarHBondContact CB-OG1 3.35Å; T111-T113 PolarHBondContact O-N 2.84Å; T111-T113 PolarHBondContact OG1-OG1 3.07Å; T111-T113 VanDerWaalsContact OG1-OG1 3.07Å |
| 112 | G | 67.6 | Low | 64.4 | Low | 68 Ų | 68 | 95.3 Ų | 95.3 | 70% | 0.701 | 52% | 0.523 | S | S | * | . | | | trans | 65.1 | 1 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | M108 | M108-G112 WeakPolarHBondContact O-CA 3.4Å; M108-G112 PolarHBondContact O-N 2.97Å |
| 113 | T | 61.7 | Low | 61.8 | Low | 90 Ų | 90 | 96.3 Ų | 96.3 | 55% | 0.552 | 53% | 0.532 | S | S | * | . | | | trans | -93.5 | 120.9 | 176.7 | 51.6 | 0 | 0 | 0 | 0 | 108.8 | T111 L115 | T111-T113 WeakPolarHBondContact CB-OG1 3.35Å; T111-T113 PolarHBondContact O-N 2.84Å; T111-T113 PolarHBondContact OG1-OG1 3.07Å; T111-T113 VanDerWaalsContact OG1-OG1 3.07Å; T113-L115 PolarHBondContact O-N 3.47Å |
| 114 | V | 55.6 | Low | 59.3 | Low | 117 Ų | 117 | 99.2 Ų | 99.2 | 71% | 0.709 | 54% | 0.543 | S | S | * | . | | | trans | -58.1 | 128.4 | 163 | 179.4 | 0 | 0 | 0 | 0 | 106.8 | D116 | V114-D116 PolarHBondContact O-N 3.1Š|
| 115 | L | 51.9 | Low | 56.9 | Low | 75 Ų | 75 | 106.3 Ų | 106.3 | 39% | 0.393 | 57% | 0.571 | S | S | . | * | | | trans | -50.8 | 106.6 | 172.1 | -102.3 | 138.1 | 0 | 0 | 0 | 108.4 | M108 T113 E117 F120 | M108-L115 HydrophobicContact CG-CD1 3.96Å; M108-L115 HydrophobicContact SD-CD1 4.01Å; T113-L115 PolarHBondContact O-N 3.47Å; L115-E117 PolarHBondContact O-N 3.34Å; L115-F120 HydrophobicContact CD2-CE2 3.71Å; L115-F120 HydrophobicContact CD2-CZ 4.48Å |
| 116 | D | 48.2 | Very low | 54.5 | Low | 104 Ų | 104 | 104.9 Ų | 104.9 | 56% | 0.556 | 57% | 0.574 | S | S | * | * | | | trans | -70.8 | 97.5 | -178.7 | -150.3 | -20.8 | 0 | 0 | 0 | 107.1 | V114 S118 N119 | V114-D116 PolarHBondContact O-N 3.1Å; D116-S118 PolarHBondContact O-N 3.29Å; D116-S118 PolarHBondContact OD1-OG 3.05Å; D116-N119 PolarHBondContact O-N 3.28Å; D116-N119 VanDerWaalsContact O-N 3.08Å |
| 117 | E | 47.7 | Very low | 52 | Low | 143 Ų | 143 | 108 Ų | 108 | 67% | 0.668 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.6 | -18.2 | -179.8 | -73.5 | -167.5 | 172.5 | 0 | 0 | 112 | L115 N119 F120 | L115-E117 PolarHBondContact O-N 3.34Å; E117-N119 VanDerWaalsContact C-N 3.26Å; E117-N119 PolarHBondContact O-N 3.39Å; E117-F120 PolarHBondContact O-N 2.99Å |
| 118 | S | 48.6 | Very low | 49.6 | Very low | 54 Ų | 54 | 112.4 Ų | 112.4 | 38% | 0.378 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -61.2 | -30.3 | 176.6 | 62.9 | 0 | 0 | 0 | 0 | 113.4 | D116 S122 | D116-S118 PolarHBondContact O-N 3.29Å; D116-S118 PolarHBondContact OD1-OG 3.05Å; S118-S122 VanDerWaalsContact O-CB 3.23Å; S118-S122 WeakPolarHBondContact O-CB 3.45Å; S118-S122 PolarHBondContact O-N 3.4Å; S118-S122 VanDerWaalsContact O-N 3.14Å; S118-S122 PolarHBondContact O-OG 2.66Å |
| 119 | N | 39.4 | Very low | 47.6 | Very low | 100 Ų | 100 | 115.1 Ų | 115.1 | 54% | 0.535 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -78.7 | -19.3 | 179.2 | -71.6 | -20.6 | 0 | 0 | 0 | 113.5 | D116 E117 | D116-N119 PolarHBondContact O-N 3.28Å; D116-N119 VanDerWaalsContact O-N 3.08Å; E117-N119 VanDerWaalsContact C-N 3.26Å; E117-N119 PolarHBondContact O-N 3.39Å |
| 120 | F | 41.5 | Very low | 45.5 | Very low | 145 Ų | 145 | 117.5 Ų | 117.5 | 64% | 0.636 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -78.5 | -23.3 | 176.6 | -84 | -78.7 | 0 | 0 | 0 | 113.6 | L115 E117 | L115-F120 HydrophobicContact CD2-CE2 3.71Å; L115-F120 HydrophobicContact CD2-CZ 4.48Å; E117-F120 PolarHBondContact O-N 2.99Å |
| 121 | L | 41.8 | Very low | 43.3 | Very low | 138 Ų | 138 | 115 Ų | 115 | 72% | 0.723 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -106.7 | -23.5 | 179.4 | -66.4 | 178.5 | 0 | 0 | 0 | 114 | | |
| 122 | S | 39.9 | Very low | 41.2 | Very low | 45 Ų | 45 | 118.9 Ų | 118.9 | 32% | 0.315 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -84.7 | -41.5 | -173.1 | -53.6 | 0 | 0 | 0 | 0 | 113 | S118 Q124 F125 N126 | S118-S122 VanDerWaalsContact O-CB 3.23Å; S118-S122 WeakPolarHBondContact O-CB 3.45Å; S118-S122 PolarHBondContact O-N 3.4Å; S118-S122 VanDerWaalsContact O-N 3.14Å; S118-S122 PolarHBondContact O-OG 2.66Å; S122-Q124 PolarHBondContact O-N 3.46Å; S122-F125 PolarHBondContact O-N 2.96Å; S122-N126 VanDerWaalsContact O-CB 3.32Å; S122-N126 WeakPolarHBondContact O-CB 3.2Å; S122-N126 PolarHBondContact O-N 3.36Å |
| 123 | D | 33.9 | Very low | 39.8 | Very low | 128 Ų | 128 | 121.1 Ų | 121.1 | 68% | 0.684 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.6 | -20.7 | -172.1 | -80.6 | -4.5 | 0 | 0 | 0 | 113.8 | | |
| 124 | Q | 35.9 | Very low | 38.2 | Very low | 157 Ų | 157 | 127.2 Ų | 127.2 | 73% | 0.734 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.1 | -14.9 | 177.7 | -154.6 | 159.8 | -3.4 | 0 | 0 | 113.8 | S122 | S122-Q124 PolarHBondContact O-N 3.46Š|
| 125 | F | 35.5 | Very low | 36.9 | Very low | 174 Ų | 174 | 128 Ų | 128 | 76% | 0.763 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.3 | -12.2 | -179.7 | -80.7 | -77.2 | 0 | 0 | 0 | 115.9 | S122 I127 | S122-F125 PolarHBondContact O-N 2.96Å; F125-I127 VanDerWaalsContact C-N 3.32Å; F125-I127 PolarHBondContact O-N 2.98Å |
| 126 | N | 31.4 | Very low | 36 | Very low | 122 Ų | 122 | 129.4 Ų | 129.4 | 65% | 0.652 | 66% | 0.661 | S | S | * | * | | | trans | -97.1 | 51.1 | 169.5 | -69 | -35.9 | 0 | 0 | 0 | 111.7 | S122 R128 | S122-N126 VanDerWaalsContact O-CB 3.32Å; S122-N126 WeakPolarHBondContact O-CB 3.2Å; S122-N126 PolarHBondContact O-N 3.36Å; N126-R128 PolarHBondContact O-N 2.78Å |
| 127 | I | 31.8 | Very low | 35.2 | Very low | 139 Ų | 139 | 132.2 Ų | 132.2 | 71% | 0.713 | 67% | 0.674 | S | S | * | * | | | trans | -68.3 | 77.6 | 145.6 | -55.4 | 175.6 | 0 | 0 | 0 | 105.2 | F125 C129 | F125-I127 VanDerWaalsContact C-N 3.32Å; F125-I127 PolarHBondContact O-N 2.98Å; I127-C129 VanDerWaalsContact C-N 3.29Å; I127-C129 PolarHBondContact O-N 3.29Å |
| 128 | R | 29.2 | Very low | 34.6 | Very low | 213 Ų | 213 | 130.5 Ų | 130.5 | 80% | 0.804 | 67% | 0.673 | S | S | * | * | | | trans | -62.3 | 105.4 | 163.8 | -155.5 | 175.4 | -166.4 | -177.6 | 2.6 | 103 | N126 N130 | N126-R128 PolarHBondContact O-N 2.78Å; R128-N130 PolarHBondContact O-N 3Å |
| 129 | C | 30.4 | Very low | 33.7 | Very low | 105 Ų | 105 | 132.9 Ų | 132.9 | 71% | 0.709 | 69% | 0.69 | S | S | * | * | | | trans | -57.4 | 91.8 | 173.4 | -62.9 | 0 | 0 | 0 | 0 | 106.6 | I127 S131 | I127-C129 VanDerWaalsContact C-N 3.29Å; I127-C129 PolarHBondContact O-N 3.29Å; C129-S131 PolarHBondContact O-N 2.82Å |
| 130 | N | 30.8 | Very low | 33.3 | Very low | 132 Ų | 132 | 133.8 Ų | 133.8 | 71% | 0.706 | 70% | 0.699 | S | S | * | * | | | trans | -68.8 | 73.2 | 159.9 | -68.7 | -17 | 0 | 0 | 0 | 104.6 | R128 E132 | R128-N130 PolarHBondContact O-N 3Å; N130-E132 PolarHBondContact O-N 2.84Å |
| 131 | S | 31 | Very low | 32.7 | Very low | 95 Ų | 95 | 131.7 Ų | 131.7 | 66% | 0.664 | 70% | 0.7 | S | S | * | * | | | trans | -68.1 | 64.5 | 150.4 | 58 | 0 | 0 | 0 | 0 | 106.1 | C129 T133 | C129-S131 PolarHBondContact O-N 2.82Å; S131-T133 PolarHBondContact O-N 2.79Å |
| 132 | E | 32.1 | Very low | 32 | Very low | 152 Ų | 152 | 133.4 Ų | 133.4 | 71% | 0.71 | 70% | 0.704 | S | S | * | * | | | trans | -62.9 | 94.5 | 150.8 | -82.9 | -170.4 | 158.5 | 0 | 0 | 104 | N130 R134 | N130-E132 PolarHBondContact O-N 2.84Å; E132-R134 PolarHBondContact O-N 2.92Å |
| 133 | T | 36.7 | Very low | 31.6 | Very low | 115 Ų | 115 | 139.6 Ų | 139.6 | 71% | 0.706 | 73% | 0.725 | S | S | * | * | | | trans | -62.9 | 67.4 | 160.5 | 50.1 | 0 | 0 | 0 | 0 | 107.3 | S131 N135 | S131-T133 PolarHBondContact O-N 2.79Å; T133-N135 PolarHBondContact O-N 3Å |
| 134 | R | 28.8 | Very low | 31.5 | Very low | 218 Ų | 218 | 140 Ų | 140 | 82% | 0.823 | 73% | 0.732 | S | S | * | * | | | trans | -68.1 | 88.8 | 157 | -102.9 | -175.6 | 169.4 | -157.8 | -1.8 | 104.2 | E132 P136 | E132-R134 PolarHBondContact O-N 2.92Å; R134-P136 WeakPolarHBondContact O-CD 3.37Å |
| 135 | N | 28.4 | Very low | 31.5 | Very low | 133 Ų | 133 | 139.7 Ų | 139.7 | 71% | 0.711 | 74% | 0.735 | S | S | * | * | | | trans | -49.6 | 118.6 | 165.5 | -77 | -30.9 | 0 | 0 | 0 | 105.9 | T133 I137 | T133-N135 PolarHBondContact O-N 3Å; N135-I137 PolarHBondContact O-N 3.46Å |
| 136 | P | 32.7 | Very low | 31.3 | Very low | 106 Ų | 106 | 137.9 Ų | 137.9 | 69% | 0.688 | 73% | 0.733 | S | S | * | * | | | trans | -58 | 118.7 | 178.4 | 22.7 | -30.6 | 0 | 0 | 0 | 106.3 | R134 V138 | R134-P136 WeakPolarHBondContact O-CD 3.37Å; P136-V138 HydrophobicContact CB-CG2 4.17Å; P136-V138 HydrophobicContact CG-CG2 4.34Å; P136-V138 PolarHBondContact O-N 2.83Å |
| 137 | I | 31.2 | Very low | 31.4 | Very low | 162 Ų | 162 | 137.2 Ų | 137.2 | 83% | 0.831 | 74% | 0.735 | S | S | * | * | | | trans | -66.3 | 82.4 | 168.3 | -58.1 | 170.6 | 0 | 0 | 0 | 104.3 | N135 S139 | N135-I137 PolarHBondContact O-N 3.46Å; I137-S139 PolarHBondContact O-N 3.28Å |
| 138 | V | 36.2 | Very low | 31.5 | Very low | 107 Ų | 107 | 136.2 Ų | 136.2 | 65% | 0.648 | 74% | 0.738 | S | S | * | * | | | trans | -73.1 | 93.4 | 169.5 | -179.6 | 0 | 0 | 0 | 0 | 104.2 | P136 T140 | P136-V138 HydrophobicContact CB-CG2 4.17Å; P136-V138 HydrophobicContact CG-CG2 4.34Å; P136-V138 PolarHBondContact O-N 2.83Å; V138-T140 HydrophobicContact CG1-CG2 4.18Å; V138-T140 PolarHBondContact O-N 2.95Å |
| 139 | S | 29.1 | Very low | 31.5 | Very low | 104 Ų | 104 | 133.9 Ų | 133.9 | 73% | 0.727 | 74% | 0.741 | S | S | * | * | | | trans | -65.2 | 77.3 | 168.4 | 57.8 | 0 | 0 | 0 | 0 | 108.4 | I137 P141 | I137-S139 PolarHBondContact O-N 3.28Å; S139-P141 WeakPolarHBondContact O-CD 3.32Å |
| 140 | T | 31.4 | Very low | 31.5 | Very low | 119 Ų | 119 | 133.3 Ų | 133.3 | 73% | 0.73 | 74% | 0.738 | S | S | * | * | | | trans | -74.9 | 116.2 | 160.3 | 34.3 | 0 | 0 | 0 | 0 | 107.6 | V138 | V138-T140 HydrophobicContact CG1-CG2 4.18Å; V138-T140 PolarHBondContact O-N 2.95Å |
| 141 | P | 29.1 | Very low | 31.4 | Very low | 102 Ų | 102 | 132.2 Ų | 132.2 | 66% | 0.662 | 74% | 0.741 | S | S | * | * | | | trans | -75.7 | 160.6 | 171.7 | 34.9 | -32.5 | 0 | 0 | 0 | 109 | S139 | S139-P141 WeakPolarHBondContact O-CD 3.32Š|
| 142 | H | 27.3 | Very low | 31.3 | Very low | 173 Ų | 173 | 133.3 Ų | 133.3 | 80% | 0.801 | 75% | 0.749 | S | S | * | * | | | trans | 73.5 | 93.3 | 164.9 | -73.8 | -75.8 | 0 | 0 | 0 | 117.6 | | |
| 143 | K | 31.5 | Very low | 31.3 | Very low | 176 Ų | 176 | 131.4 Ų | 131.4 | 77% | 0.765 | 75% | 0.747 | S | S | * | * | | | | 173.2 | 125.2 | 89.5 | -95.3 | 169.7 | -177.5 | -178.6 | 0 | 107.6 | L145 | K143-L145 VanDerWaalsContact C-N 3.27Å; K143-L145 PolarHBondContact O-N 3.01Å |
| 144 | V | 31.7 | Very low | 31 | Very low | 135 Ų | 135 | 129.6 Ų | 129.6 | 82% | 0.818 | 74% | 0.744 | S | S | * | * | | | trans | -59.6 | 95.9 | 164 | 179.2 | 0 | 0 | 0 | 0 | 106.1 | | |
| 145 | L | 35.7 | Very low | 30.9 | Very low | 152 Ų | 152 | 126 Ų | 126 | 80% | 0.796 | 74% | 0.741 | S | S | * | * | | | trans | -111 | 109.3 | 163.8 | -79.6 | 167.5 | 0 | 0 | 0 | 104.5 | K143 | K143-L145 VanDerWaalsContact C-N 3.27Å; K143-L145 PolarHBondContact O-N 3.01Å |
| 146 | D | 30.6 | Very low | 30.8 | Very low | 136 Ų | 136 | 130.2 Ų | 130.2 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | | | trans | -51.4 | 139.2 | -175.5 | -68.3 | -51.7 | 0 | 0 | 0 | 111.4 | P148 | D146-P148 WeakPolarHBondContact O-CD 3.22Š|
| 147 | P | 34.1 | Very low | 30.7 | Very low | 107 Ų | 107 | 130.6 Ų | 130.6 | 70% | 0.695 | 75% | 0.752 | S | S | * | * | | | trans | -68.3 | 126.7 | -173.2 | 25.7 | -32.7 | 0 | 0 | 0 | 110.9 | N149 | P147-N149 PolarHBondContact O-N 3.38Å; P147-N149 VanDerWaalsContact O-N 3.12Å |
| 148 | P | 34.2 | Very low | 30.8 | Very low | 118 Ų | 118 | 134 Ų | 134 | 77% | 0.766 | 76% | 0.755 | S | S | * | * | | | trans | -69.7 | 111.8 | 164.5 | 26 | -27.8 | 0 | 0 | 0 | 108.7 | D146 S150 | D146-P148 WeakPolarHBondContact O-CD 3.22Å; P148-S150 PolarHBondContact O-N 3.27Å |
| 149 | N | 29.5 | Very low | 30.4 | Very low | 165 Ų | 165 | 132.2 Ų | 132.2 | 88% | 0.882 | 76% | 0.757 | S | S | * | * | | | trans | -54 | 97.6 | 164.9 | -80.4 | -36.7 | 0 | 0 | 0 | 110.3 | P147 | P147-N149 PolarHBondContact O-N 3.38Å; P147-N149 VanDerWaalsContact O-N 3.12Å |
| 150 | S | 28.8 | Very low | 30.5 | Very low | 93 Ų | 93 | 134.8 Ų | 134.8 | 65% | 0.65 | 76% | 0.761 | S | S | * | * | | | trans | -160.3 | 106.2 | 157.2 | 57.6 | 0 | 0 | 0 | 0 | 111.1 | P148 S152 | P148-S150 PolarHBondContact O-N 3.27Å; S150-S152 PolarHBondContact O-N 3.37Å |
| 151 | S | 28.9 | Very low | 30.6 | Very low | 108 Ų | 108 | 133.3 Ų | 133.3 | 76% | 0.755 | 76% | 0.761 | S | S | * | * | | | trans | 29.4 | 90.5 | 149.1 | 60.1 | 0 | 0 | 0 | 0 | 116.5 | V153 | S151-V153 VanDerWaalsContact C-N 3.28Å; S151-V153 PolarHBondContact O-N 3.14Å |
| 152 | S | 28.2 | Very low | 30.8 | Very low | 119 Ų | 119 | 131.8 Ų | 131.8 | 83% | 0.832 | 76% | 0.757 | S | S | * | * | | | trans | -67.8 | 88.8 | 163.2 | 63 | 0 | 0 | 0 | 0 | 109.4 | S150 A154 | S150-S152 PolarHBondContact O-N 3.37Å; S152-A154 PolarHBondContact O-N 3.02Å |
| 153 | V | 32 | Very low | 31.1 | Very low | 112 Ų | 112 | 133.3 Ų | 133.3 | 68% | 0.679 | 76% | 0.756 | S | S | * | * | | | trans | -61.2 | 108.7 | 155.9 | -179.1 | 0 | 0 | 0 | 0 | 105.3 | S151 N155 | S151-V153 VanDerWaalsContact C-N 3.28Å; S151-V153 PolarHBondContact O-N 3.14Å; V153-N155 PolarHBondContact O-N 2.95Å |
| 154 | A | 30.9 | Very low | 31.4 | Very low | 76 Ų | 76 | 131.2 Ų | 131.2 | 63% | 0.628 | 75% | 0.752 | S | S | * | * | | | trans | -62.4 | 85.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | S152 R156 | S152-A154 PolarHBondContact O-N 3.02Å; A154-R156 PolarHBondContact O-N 2.74Å |
| 155 | N | 27.6 | Very low | 31.5 | Very low | 144 Ų | 144 | 134 Ų | 134 | 77% | 0.77 | 75% | 0.748 | S | S | * | * | | | trans | -68.4 | 79.2 | 164.2 | -86 | -32.9 | 0 | 0 | 0 | 107.7 | V153 S157 | V153-N155 PolarHBondContact O-N 2.95Å; N155-S157 PolarHBondContact O-N 2.64Å |
| 156 | R | 26.1 | Very low | 31.6 | Very low | 220 Ų | 220 | 134.8 Ų | 134.8 | 83% | 0.83 | 75% | 0.745 | S | S | * | * | | | trans | -66.2 | 93.6 | 161 | -65.2 | -176.6 | -179.2 | -161.7 | 0.1 | 105.8 | A154 R158 | A154-R156 PolarHBondContact O-N 2.74Å; R156-R158 VanDerWaalsContact C-N 3.28Å; R156-R158 PolarHBondContact O-N 3.33Å |
| 157 | S | 31 | Very low | 31.9 | Very low | 114 Ų | 114 | 139.3 Ų | 139.3 | 80% | 0.797 | 75% | 0.752 | S | S | * | * | | | trans | -49.9 | 98.8 | 164.3 | -47.4 | 0 | 0 | 0 | 0 | 106.9 | N155 G159 | N155-S157 PolarHBondContact O-N 2.64Å; S157-G159 PolarHBondContact O-N 3.02Å |
| 158 | R | 32 | Very low | 31.8 | Very low | 235 Ų | 235 | 141 Ų | 141 | 89% | 0.887 | 76% | 0.755 | S | S | * | * | | | trans | -60.1 | 95.4 | 169 | -81.6 | 176.5 | 171.7 | 170.5 | -1.5 | 105 | R156 I160 | R156-R158 VanDerWaalsContact C-N 3.28Å; R156-R158 PolarHBondContact O-N 3.33Å; R158-I160 PolarHBondContact O-N 3.07Å |
| 159 | G | 28.5 | Very low | 31.8 | Very low | 68 Ų | 68 | 140.3 Ų | 140.3 | 70% | 0.701 | 75% | 0.753 | S | S | * | * | | | trans | -49.7 | 111.4 | 166.1 | 0 | 0 | 0 | 0 | 0 | 106.2 | S157 A161 | S157-G159 PolarHBondContact O-N 3.02Å; G159-A161 PolarHBondContact O-N 3.44Å |
| 160 | I | 31.3 | Very low | 32.3 | Very low | 158 Ų | 158 | 143.1 Ų | 143.1 | 81% | 0.81 | 75% | 0.751 | S | S | * | * | | | trans | -69.2 | 74.4 | 169.6 | -56.7 | 170.4 | 0 | 0 | 0 | 103.9 | R158 A162 | R158-I160 PolarHBondContact O-N 3.07Å; I160-A162 PolarHBondContact O-N 3.22Å |
| 161 | A | 33.4 | Very low | 32.7 | Very low | 88 Ų | 88 | 149.5 Ų | 149.5 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | | | trans | -61.6 | 87.8 | 151.6 | 0 | 0 | 0 | 0 | 0 | 103.4 | G159 R163 | G159-A161 PolarHBondContact O-N 3.44Å; A161-R163 PolarHBondContact O-N 3.15Å |
| 162 | A | 34.1 | Very low | 33.1 | Very low | 70 Ų | 70 | 149.2 Ų | 149.2 | 58% | 0.579 | 76% | 0.76 | S | S | * | * | | | trans | -44 | 114.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 105.1 | I160 L164 | I160-A162 PolarHBondContact O-N 3.22Å; A162-L164 PolarHBondContact O-N 3.46Å |
| 163 | R | 32.2 | Very low | 33.6 | Very low | 206 Ų | 206 | 153.8 Ų | 153.8 | 78% | 0.777 | 76% | 0.764 | S | S | * | * | | | trans | -64.4 | 70.6 | 175.3 | -73.2 | 166.4 | 137.6 | -173.7 | -2.2 | 107.2 | A161 R165 | A161-R163 PolarHBondContact O-N 3.15Å; R163-R165 PolarHBondContact O-N 2.79Å |
| 164 | L | 38.5 | Very low | 33.8 | Very low | 131 Ų | 131 | 152.1 Ų | 152.1 | 69% | 0.686 | 76% | 0.758 | S | S | * | * | | | trans | -71.7 | 74.9 | 155.7 | -67.2 | 176.8 | 0 | 0 | 0 | 104.8 | A162 F166 | A162-L164 PolarHBondContact O-N 3.46Å; L164-F166 HydrophobicContact CB-CD2 4.24Å; L164-F166 HydrophobicContact CB-CE2 3.96Å; L164-F166 HydrophobicContact CD1-CE2 4.49Å; L164-F166 PolarHBondContact O-N 3.47Å |
| 165 | R | 33.8 | Very low | 33.8 | Very low | 195 Ų | 195 | 153.4 Ų | 153.4 | 74% | 0.736 | 77% | 0.769 | S | S | * | * | | | trans | -61.9 | 85.1 | 156.7 | -74.9 | -177.2 | 174 | -178.3 | -2.6 | 104.3 | R163 R167 | R163-R165 PolarHBondContact O-N 2.79Å; R165-R167 PolarHBondContact O-N 2.83Å |
| 166 | F | 38.4 | Very low | 34.2 | Very low | 167 Ų | 167 | 154.1 Ų | 154.1 | 73% | 0.732 | 77% | 0.767 | S | S | * | * | | | trans | -54.8 | 98.7 | 150.4 | -71 | -80.4 | 0 | 0 | 0 | 103.7 | L164 N168 | L164-F166 HydrophobicContact CB-CD2 4.24Å; L164-F166 HydrophobicContact CB-CE2 3.96Å; L164-F166 HydrophobicContact CD1-CE2 4.49Å; L164-F166 PolarHBondContact O-N 3.47Å; F166-N168 PolarHBondContact O-N 3.44Å |
| 167 | R | 36.2 | Very low | 34.7 | Very low | 232 Ų | 232 | 150.9 Ų | 150.9 | 88% | 0.875 | 77% | 0.766 | S | S | * | * | | | trans | -57 | 93.6 | 159.6 | -79.4 | 177.9 | 154.1 | 166.2 | -5.7 | 102.6 | R165 S169 | R165-R167 PolarHBondContact O-N 2.83Å; R167-S169 PolarHBondContact O-N 3.14Å |
| 168 | N | 31.8 | Very low | 34.7 | Very low | 142 Ų | 142 | 156.8 Ų | 156.8 | 76% | 0.759 | 77% | 0.771 | S | S | * | * | | | trans | -51.5 | 99.2 | 160.2 | -83.5 | -28.7 | 0 | 0 | 0 | 103.3 | F166 R170 | F166-N168 PolarHBondContact O-N 3.44Å; N168-R170 PolarHBondContact O-N 2.94Å |
| 169 | S | 34.7 | Very low | 34.8 | Very low | 104 Ų | 104 | 152.7 Ų | 152.7 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | | | trans | -64.3 | 87 | 173.7 | -178.6 | 0 | 0 | 0 | 0 | 103.3 | R167 R171 | R167-S169 PolarHBondContact O-N 3.14Å; S169-R171 PolarHBondContact O-N 2.99Å |
| 170 | R | 40.2 | Very low | 35.1 | Very low | 223 Ų | 223 | 155 Ų | 155 | 84% | 0.842 | 77% | 0.768 | S | S | * | * | | | trans | -64.1 | 74.4 | 154.7 | -65.9 | -175.2 | -175.9 | -166 | 1.1 | 103.6 | N168 S172 | N168-R170 PolarHBondContact O-N 2.94Å; R170-S172 PolarHBondContact O-N 3.32Å; R170-S172 PolarHBondContact O-OG 2.92Å |
| 171 | R | 38.1 | Very low | 35.1 | Very low | 227 Ų | 227 | 156.7 Ų | 156.7 | 86% | 0.857 | 77% | 0.772 | S | S | * | * | | | trans | -65.2 | 94.2 | 160.4 | -163.2 | 171.1 | -172.3 | -174.9 | 1.1 | 102.8 | S169 K173 | S169-R171 PolarHBondContact O-N 2.99Å; R171-K173 PolarHBondContact O-N 2.98Å |
| 172 | S | 36.1 | Very low | 35.1 | Very low | 103 Ų | 103 | 157 Ų | 157 | 72% | 0.72 | 77% | 0.769 | S | S | * | * | | | trans | -53.1 | 99.1 | -170.1 | -46.5 | 0 | 0 | 0 | 0 | 108.7 | R170 S174 | R170-S172 PolarHBondContact O-N 3.32Å; R170-S172 PolarHBondContact O-OG 2.92Å; S172-S174 PolarHBondContact O-N 2.74Å |
| 173 | K | 38 | Very low | 35 | Very low | 214 Ų | 214 | 160 Ų | 160 | 93% | 0.93 | 78% | 0.783 | S | S | * | * | | | trans | -77 | 71 | 167.1 | -167.6 | 164.4 | -176.7 | 173.8 | 0 | 107.3 | R171 | R171-K173 PolarHBondContact O-N 2.98Š|
| 174 | S | 36.4 | Very low | 35 | Very low | 78 Ų | 78 | 159.5 Ų | 159.5 | 55% | 0.545 | 79% | 0.789 | S | S | . | * | | | trans | -172.8 | 73.3 | 161.6 | -167.4 | 0 | 0 | 0 | 0 | 108.6 | S172 H176 | S172-S174 PolarHBondContact O-N 2.74Å; S174-H176 PolarHBondContact O-N 2.86Å; S174-H176 PolarHBondContact OG-N 3.31Å |
| 175 | A | 32.2 | Very low | 34.5 | Very low | 103 Ų | 103 | 163.5 Ų | 163.5 | 85% | 0.851 | 80% | 0.795 | S | S | * | * | | | trans | -86.4 | 58.9 | 141.7 | 0 | 0 | 0 | 0 | 0 | 106.2 | | |
| 176 | H | 35.3 | Very low | 34.3 | Very low | 158 Ų | 158 | 159.1 Ų | 159.1 | 73% | 0.731 | 79% | 0.794 | S | S | * | * | | | trans | -83.1 | 111.4 | 151.3 | -81.5 | -55.7 | 0 | 0 | 0 | 104.3 | S174 R178 | S174-H176 PolarHBondContact O-N 2.86Å; S174-H176 PolarHBondContact OG-N 3.31Å; H176-R178 PolarHBondContact O-N 3.42Å |
| 177 | D | 37.6 | Very low | 34 | Very low | 152 Ų | 152 | 159.2 Ų | 159.2 | 81% | 0.813 | 80% | 0.795 | S | S | * | * | | | trans | -38.2 | 107.9 | 167.4 | -76.6 | -48.3 | 0 | 0 | 0 | 108.9 | I179 | D177-I179 VanDerWaalsContact C-N 3.27Å; D177-I179 PolarHBondContact O-N 3.14Å |
| 178 | R | 30.9 | Very low | 33.5 | Very low | 239 Ų | 239 | 156.7 Ų | 156.7 | 90% | 0.902 | 79% | 0.792 | S | S | * | * | | | trans | -65.8 | 96 | 169.3 | -80.2 | 178.7 | 171.6 | 171.2 | -4.3 | 106 | H176 P180 | H176-R178 PolarHBondContact O-N 3.42Å; R178-P180 WeakPolarHBondContact O-CD 3.47Å |
| 179 | I | 34.1 | Very low | 33.4 | Very low | 148 Ų | 148 | 158 Ų | 158 | 76% | 0.759 | 80% | 0.796 | S | S | * | * | | | trans | -58.8 | 121.4 | 157.6 | -60.1 | 173.4 | 0 | 0 | 0 | 105.2 | D177 E181 | D177-I179 VanDerWaalsContact C-N 3.27Å; D177-I179 PolarHBondContact O-N 3.14Å; I179-E181 PolarHBondContact O-N 3.35Å |
| 180 | P | 34 | Very low | 33 | Very low | 117 Ų | 117 | 164.7 Ų | 164.7 | 76% | 0.76 | 81% | 0.805 | S | S | * | * | | | trans | -65 | 106.5 | -176.4 | 23.4 | -31 | 0 | 0 | 0 | 109.4 | R178 S182 | R178-P180 WeakPolarHBondContact O-CD 3.47Å; P180-S182 PolarHBondContact O-N 2.98Å |
| 181 | E | 32.3 | Very low | 32.3 | Very low | 194 Ų | 194 | 161.2 Ų | 161.2 | 91% | 0.907 | 80% | 0.803 | S | S | * | * | | | trans | -61.4 | 117.7 | 165.5 | -82.8 | -179.8 | 152.1 | 0 | 0 | 108.3 | I179 | I179-E181 PolarHBondContact O-N 3.35Š|
| 182 | S | 32 | Very low | 31.9 | Very low | 95 Ų | 95 | 159.7 Ų | 159.7 | 66% | 0.664 | 80% | 0.803 | S | S | * | * | | | trans | -64.5 | 151.9 | 175.7 | 41.7 | 0 | 0 | 0 | 0 | 111.1 | P180 Q184 | P180-S182 PolarHBondContact O-N 2.98Å; S182-Q184 PolarHBondContact O-N 3.31Å |
| 183 | P | 32.4 | Very low | 31.4 | Very low | 133 Ų | 133 | 160.4 Ų | 160.4 | 86% | 0.864 | 80% | 0.803 | S | S | * | * | | | trans | -68.8 | 104.7 | -163.2 | -13.8 | 28.4 | 0 | 0 | 0 | 111.5 | R185 | P183-R185 PolarHBondContact O-N 2.99Š|
| 184 | Q | 32 | Very low | 31 | Very low | 194 Ų | 194 | 157.2 Ų | 157.2 | 91% | 0.907 | 80% | 0.797 | S | S | * | * | | | trans | -72.6 | 118.4 | 172.1 | -77.5 | -172 | -13.1 | 0 | 0 | 110.1 | S182 S186 | S182-Q184 PolarHBondContact O-N 3.31Å; Q184-S186 PolarHBondContact O-N 3.44Å |
| 185 | R | 27.6 | Very low | 30.8 | Very low | 216 Ų | 216 | 162 Ų | 162 | 82% | 0.815 | 82% | 0.815 | S | S | * | * | | | trans | -50.6 | 125.9 | 173.6 | -90.5 | 177.8 | 166.2 | -163.1 | -3.3 | 111.2 | P183 F187 | P183-R185 PolarHBondContact O-N 2.99Å; R185-F187 HydrophobicContact CB-CE2 4.34Å; R185-F187 PolarHBondContact O-N 3.49Å; R185-F187 VanDerWaalsContact O-N 3.15Å |
| 186 | S | 30 | Very low | 30.6 | Very low | 103 Ų | 103 | 161.6 Ų | 161.6 | 72% | 0.72 | 81% | 0.806 | S | S | * | * | | | trans | -52.8 | 109.8 | 165.6 | 176.7 | 0 | 0 | 0 | 0 | 110.7 | Q184 | Q184-S186 PolarHBondContact O-N 3.44Š|
| 187 | F | 31 | Very low | 30.3 | Very low | 169 Ų | 169 | 160.7 Ų | 160.7 | 74% | 0.741 | 81% | 0.814 | S | S | * | * | | | trans | -99.8 | 108.9 | 162 | -77.6 | -79.4 | 0 | 0 | 0 | 108.6 | R185 M189 | R185-F187 HydrophobicContact CB-CE2 4.34Å; R185-F187 PolarHBondContact O-N 3.49Å; R185-F187 VanDerWaalsContact O-N 3.15Å; F187-M189 PolarHBondContact O-N 3.5Å; F187-M189 VanDerWaalsContact O-N 3.07Å |
| 188 | H | 26.3 | Very low | 29.9 | Very low | 178 Ų | 178 | 159.4 Ų | 159.4 | 82% | 0.824 | 81% | 0.812 | S | S | * | * | | | trans | -59.9 | 103.8 | 165.7 | -85.9 | -42 | 0 | 0 | 0 | 109.8 | | |
| 189 | M | 31 | Very low | 29.7 | Very low | 171 Ų | 171 | 158.8 Ų | 158.8 | 84% | 0.842 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 116 | 164.8 | -81.9 | -75 | 146.5 | 0 | 0 | 108.9 | F187 | F187-M189 PolarHBondContact O-N 3.5Å; F187-M189 VanDerWaalsContact O-N 3.07Å |
| 190 | R | 25.1 | Very low | 29.3 | Very low | 243 Ų | 243 | 159.8 Ų | 159.8 | 92% | 0.917 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 130 | 177.5 | -82.6 | 174.3 | 170.6 | 156.4 | -2.8 | 110.7 | | |
| 191 | N | 26 | Very low | 29 | Very low | 150 Ų | 150 | 158.4 Ų | 158.4 | 80% | 0.802 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 141.3 | 161.7 | -66.4 | -40 | 0 | 0 | 0 | 110.3 | | |
| 192 | K | 28.9 | Very low | 28.9 | Very low | 196 Ų | 196 | 156.7 Ų | 156.7 | 85% | 0.852 | 81% | 0.805 | S | S | * | * | | | trans | 173.4 | 101.1 | 145.3 | -95 | 163.8 | -173.7 | -161.6 | 0 | 105.9 | | |
| 193 | T | 26 | Very low | 28.8 | Very low | 118 Ų | 118 | 156.5 Ų | 156.5 | 72% | 0.724 | 80% | 0.801 | S | S | * | * | | | | 51.9 | 112.6 | 80 | -38.3 | 0 | 0 | 0 | 0 | 110.2 | | |
| 194 | D | 29.9 | Very low | 28.8 | Very low | 147 Ų | 147 | 156.8 Ų | 156.8 | 79% | 0.786 | 80% | 0.795 | S | S | * | * | | | trans | 138.7 | 100.8 | 156.8 | -68 | -17.2 | 0 | 0 | 0 | 108.1 | | |
| 195 | L | 32.5 | Very low | 28.9 | Very low | 178 Ų | 178 | 152.9 Ų | 152.9 | 93% | 0.932 | 78% | 0.78 | S | S | * | * | | | trans | -179.8 | 125.8 | 130.8 | -88.9 | 170.1 | 0 | 0 | 0 | 108.6 | | |
| 196 | S | 27.9 | Very low | 29.1 | Very low | 94 Ų | 94 | 150.5 Ų | 150.5 | 66% | 0.657 | 78% | 0.783 | S | S | * | * | | | trans | -71.9 | 157.3 | -163.2 | -34.3 | 0 | 0 | 0 | 0 | 113.3 | T198 | S196-T198 PolarHBondContact O-N 2.94Å; S196-T198 VanDerWaalsContact O-N 3.14Å; S196-T198 PolarHBondContact O-OG1 2.71Å |
| 197 | P | 28.4 | Very low | 29.4 | Very low | 139 Ų | 139 | 152.1 Ų | 152.1 | 90% | 0.903 | 78% | 0.781 | S | S | * | * | | | trans | -73.6 | 109.1 | -177.3 | 6.1 | 9.8 | 0 | 0 | 0 | 109.4 | | |
| 198 | T | 29.8 | Very low | 29.7 | Very low | 125 Ų | 125 | 150.9 Ų | 150.9 | 77% | 0.767 | 78% | 0.782 | S | S | * | * | | | trans | -99.1 | 117.2 | 178.4 | -43.2 | 0 | 0 | 0 | 0 | 109.2 | S196 | S196-T198 PolarHBondContact O-N 2.94Å; S196-T198 VanDerWaalsContact O-N 3.14Å; S196-T198 PolarHBondContact O-OG1 2.71Å |
| 199 | R | 25.9 | Very low | 30.2 | Very low | 227 Ų | 227 | 149.8 Ų | 149.8 | 86% | 0.857 | 78% | 0.782 | S | S | * | * | | | trans | 59.4 | 103 | 155.9 | -88.9 | 178.6 | 159.4 | 155.4 | -5.7 | 118.9 | S201 | R199-S201 PolarHBondContact O-N 2.75Å; R199-S201 VanDerWaalsContact O-N 3.12Å |
| 200 | N | 26 | Very low | 30.7 | Very low | 168 Ų | 168 | 148.2 Ų | 148.2 | 90% | 0.898 | 78% | 0.777 | S | S | * | * | | | trans | -21.9 | 104.2 | 134.6 | -52.9 | -14.7 | 0 | 0 | 0 | 112.9 | | |
| 201 | S | 27.2 | Very low | 31.4 | Very low | 88 Ų | 88 | 139.8 Ų | 139.8 | 62% | 0.615 | 76% | 0.755 | S | S | * | * | | | trans | -121.3 | 96.9 | 158.6 | 161.8 | 0 | 0 | 0 | 0 | 104.8 | R199 T203 | R199-S201 PolarHBondContact O-N 2.75Å; R199-S201 VanDerWaalsContact O-N 3.12Å; S201-T203 PolarHBondContact O-N 3.3Å; S201-T203 PolarHBondContact OG-OG1 3.48Å; S201-T203 VanDerWaalsContact OG-OG1 3.11Å |
| 202 | L | 30.5 | Very low | 32 | Very low | 158 Ų | 158 | 140.3 Ų | 140.3 | 83% | 0.827 | 75% | 0.753 | S | S | * | * | | | trans | -64.3 | 74.1 | 163.9 | -79.3 | 149.6 | 0 | 0 | 0 | 107.6 | | |
| 203 | T | 31 | Very low | 32.6 | Very low | 92 Ų | 92 | 133.8 Ų | 133.8 | 56% | 0.564 | 73% | 0.732 | S | S | * | * | | | trans | -106.1 | 95.6 | 155.4 | 33.6 | 0 | 0 | 0 | 0 | 104.3 | S201 N205 | S201-T203 PolarHBondContact O-N 3.3Å; S201-T203 PolarHBondContact OG-OG1 3.48Å; S201-T203 VanDerWaalsContact OG-OG1 3.11Å; T203-N205 PolarHBondContact O-N 2.98Å |
| 204 | D | 31.6 | Very low | 33.2 | Very low | 138 Ų | 138 | 136.6 Ų | 136.6 | 74% | 0.738 | 73% | 0.734 | S | S | * | * | | | trans | -53.4 | 75 | 158.7 | -65.5 | -44.3 | 0 | 0 | 0 | 107.9 | L206 | D204-L206 PolarHBondContact O-N 3.47Š|
| 205 | N | 33.9 | Very low | 33.7 | Very low | 113 Ų | 113 | 137 Ų | 137 | 60% | 0.604 | 73% | 0.729 | S | S | * | * | | | trans | -69 | 86 | 152.6 | -74.2 | -28.6 | 0 | 0 | 0 | 103.6 | T203 M207 | T203-N205 PolarHBondContact O-N 2.98Å; N205-M207 HydrophobicContact CB-CE 3.8Å; N205-M207 HydrophobicContact CB-CG 4.11Å; N205-M207 PolarHBondContact O-N 3.47Å |
| 206 | L | 31.9 | Very low | 34.3 | Very low | 165 Ų | 165 | 130.9 Ų | 130.9 | 86% | 0.864 | 70% | 0.701 | S | S | * | * | | | trans | -52.7 | 72.5 | 149.9 | -143.2 | 90.9 | 0 | 0 | 0 | 105.3 | D204 D208 | D204-L206 PolarHBondContact O-N 3.47Å; L206-D208 PolarHBondContact O-N 2.92Å |
| 207 | M | 36.1 | Very low | 34.8 | Very low | 137 Ų | 137 | 133.7 Ų | 133.7 | 68% | 0.675 | 70% | 0.697 | S | S | * | * | | | trans | -61.7 | 111.8 | 174.7 | -82.8 | -78 | 146.4 | 0 | 0 | 103 | N205 D209 | N205-M207 HydrophobicContact CB-CE 3.8Å; N205-M207 HydrophobicContact CB-CG 4.11Å; N205-M207 PolarHBondContact O-N 3.47Å; M207-D209 VanDerWaalsContact C-N 3.29Å; M207-D209 PolarHBondContact O-N 3.26Å |
| 208 | D | 37.5 | Very low | 35.6 | Very low | 143 Ų | 143 | 134.4 Ų | 134.4 | 77% | 0.765 | 69% | 0.686 | S | S | * | * | | | trans | -30.6 | 99.2 | 169.2 | -71.1 | -54.5 | 0 | 0 | 0 | 108.1 | L206 N210 | L206-D208 PolarHBondContact O-N 2.92Å; D208-N210 PolarHBondContact O-N 2.9Å |
| 209 | D | 38.4 | Very low | 36 | Very low | 155 Ų | 155 | 136.7 Ų | 136.7 | 83% | 0.829 | 68% | 0.681 | S | S | * | * | | | trans | -60.6 | 95.1 | 168.7 | -90.9 | -31.5 | 0 | 0 | 0 | 103 | M207 S211 | M207-D209 VanDerWaalsContact C-N 3.29Å; M207-D209 PolarHBondContact O-N 3.26Å; D209-S211 PolarHBondContact O-N 2.92Å |
| 210 | N | 39.6 | Very low | 36.6 | Very low | 139 Ų | 139 | 134 Ų | 134 | 74% | 0.743 | 67% | 0.671 | S | S | * | * | | | trans | -62.3 | 61.6 | 159.8 | -83.6 | -60 | 0 | 0 | 0 | 106.1 | D208 E212 | D208-N210 PolarHBondContact O-N 2.9Å; N210-E212 PolarHBondContact O-N 2.87Å |
| 211 | S | 39.7 | Very low | 37.5 | Very low | 66 Ų | 66 | 135.2 Ų | 135.2 | 46% | 0.462 | 66% | 0.663 | S | S | . | * | | | trans | -55.1 | 127.8 | 172.4 | 57 | 0 | 0 | 0 | 0 | 105.1 | D209 S213 K214 | D209-S211 PolarHBondContact O-N 2.92Å; S211-S213 PolarHBondContact O-N 3.35Å; S211-S213 PolarHBondContact O-OG 2.88Å; S211-S213 PolarHBondContact OG-OG 3.14Å; S211-K214 PolarHBondContact O-N 3.1Å |
| 212 | E | 40.3 | Very low | 38.5 | Very low | 160 Ų | 160 | 136.3 Ų | 136.3 | 75% | 0.748 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.9 | -10.4 | -176.4 | -70.5 | 166.4 | 139.6 | 0 | 0 | 112.6 | N210 K214 K215 S216 | N210-E212 PolarHBondContact O-N 2.87Å; E212-K214 PolarHBondContact O-N 3.37Å; E212-K215 PolarHBondContact O-N 2.99Å; E212-K215 VanDerWaalsContact O-N 3.15Å; E212-S216 PolarHBondContact O-N 3.05Å |
| 213 | S | 41 | Very low | 39.2 | Very low | 59 Ų | 59 | 130.8 Ų | 130.8 | 41% | 0.413 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -49.6 | -48.2 | 171 | 71.3 | 0 | 0 | 0 | 0 | 113.4 | S211 K215 S216 W217 | S211-S213 PolarHBondContact O-N 3.35Å; S211-S213 PolarHBondContact O-OG 2.88Å; S211-S213 PolarHBondContact OG-OG 3.14Å; S213-K215 VanDerWaalsContact C-N 3.29Å; S213-K215 PolarHBondContact O-N 2.92Å; S213-S216 PolarHBondContact O-N 2.85Å; S213-S216 PolarHBondContact O-OG 3.09Å; S213-W217 VanDerWaalsContact O-CD1 3.27Å; S213-W217 PolarHBondContact O-N 3.19Å |
| 214 | K | 38.7 | Very low | 39.8 | Very low | 178 Ų | 178 | 133.9 Ų | 133.9 | 77% | 0.774 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -69.2 | -28.3 | -179 | -77.5 | -178.3 | -179.1 | 170.2 | 0 | 112.8 | S211 E212 K218 | S211-K214 PolarHBondContact O-N 3.1Å; E212-K214 PolarHBondContact O-N 3.37Å; K214-K218 PolarHBondContact O-N 2.76Å |
| 215 | K | 39.8 | Very low | 40.4 | Very low | 156 Ų | 156 | 133.1 Ų | 133.1 | 68% | 0.678 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -73.5 | -37 | 175.2 | -70 | 179.2 | -177.5 | 170.5 | 0 | 111.1 | E212 S213 K218 W219 | E212-K215 PolarHBondContact O-N 2.99Å; E212-K215 VanDerWaalsContact O-N 3.15Å; S213-K215 VanDerWaalsContact C-N 3.29Å; S213-K215 PolarHBondContact O-N 2.92Å; K215-K218 PolarHBondContact O-N 2.93Å; K215-W219 WeakPolarHBondContact O-CB 3.36Å; K215-W219 PolarHBondContact O-N 2.94Å; K215-W219 VanDerWaalsContact O-N 3.07Å |
| 216 | S | 45 | Very low | 40.6 | Very low | 49 Ų | 49 | 131.2 Ų | 131.2 | 34% | 0.343 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -64.6 | -42.2 | 179.6 | 78.9 | 0 | 0 | 0 | 0 | 111.9 | E212 S213 K218 W219 W220 | E212-S216 PolarHBondContact O-N 3.05Å; S213-S216 PolarHBondContact O-N 2.85Å; S213-S216 PolarHBondContact O-OG 3.09Å; S216-K218 PolarHBondContact O-N 2.87Å; S216-W219 WeakPolarHBondContact O-CB 3.47Å; S216-W219 PolarHBondContact O-N 2.98Å; S216-W220 PolarHBondContact O-N 3.36Å |
| 217 | W | 39.1 | Very low | 41 | Very low | 153 Ų | 153 | 130.5 Ų | 130.5 | 58% | 0.58 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -67.3 | -37 | 179.2 | -80 | 75.8 | 0 | 0 | 0 | 113.2 | S213 W219 W220 R221 | S213-W217 VanDerWaalsContact O-CD1 3.27Å; S213-W217 PolarHBondContact O-N 3.19Å; W217-W219 VanDerWaalsContact C-N 3.33Å; W217-W220 PolarHBondContact O-N 2.95Å; W217-R221 PolarHBondContact O-N 2.89Å |
| 218 | K | 44.8 | Very low | 41.4 | Very low | 153 Ų | 153 | 130.9 Ų | 130.9 | 67% | 0.665 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -67.6 | -36 | 174.6 | -161.1 | 174.1 | -175.3 | 177.1 | 0 | 111.5 | K214 K215 S216 L222 | K214-K218 PolarHBondContact O-N 2.76Å; K215-K218 PolarHBondContact O-N 2.93Å; S216-K218 PolarHBondContact O-N 2.87Å; K218-L222 HydrophobicContact CG-CD1 4.31Å; K218-L222 WeakPolarHBondContact O-CB 3.45Å; K218-L222 PolarHBondContact O-N 3.37Å |
| 219 | W | 38.1 | Very low | 41.5 | Very low | 173 Ų | 173 | 131.9 Ų | 131.9 | 66% | 0.655 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -67.4 | -39.6 | 174.8 | -164.2 | 85 | 0 | 0 | 0 | 112 | K215 S216 W217 L222 N223 | K215-W219 WeakPolarHBondContact O-CB 3.36Å; K215-W219 PolarHBondContact O-N 2.94Å; K215-W219 VanDerWaalsContact O-N 3.07Å; S216-W219 WeakPolarHBondContact O-CB 3.47Å; S216-W219 PolarHBondContact O-N 2.98Å; W217-W219 VanDerWaalsContact C-N 3.33Å; W219-L222 PolarHBondContact O-N 3.27Å; W219-N223 VanDerWaalsContact CE3-ND2 3.29Å; W219-N223 VanDerWaalsContact CH2-ND2 3.32Å; W219-N223 WeakPolarHBondContact CH2-ND2 3.49Å; W219-N223 WeakPolarHBondContact CZ2-ND2 3.48Å; W219-N223 WeakPolarHBondContact CZ3-ND2 3.39Å; W219-N223 WeakPolarHBondContact O-CB 3.16Å; W219-N223 PolarHBondContact O-N 3.41Å; W219-N223 PolarHBondContact O-ND2 3Å |
| 220 | W | 37.9 | Very low | 41.3 | Very low | 170 Ų | 170 | 129 Ų | 129 | 64% | 0.644 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -62.5 | -44.6 | 173.2 | -93.5 | 98.9 | 0 | 0 | 0 | 112.8 | S216 W217 N223 K224 | S216-W220 PolarHBondContact O-N 3.36Å; W217-W220 PolarHBondContact O-N 2.95Å; W220-N223 PolarHBondContact O-N 3.22Å; W220-K224 PolarHBondContact O-N 3.38Å |
| 221 | R | 44.4 | Very low | 41.1 | Very low | 195 Ų | 195 | 128.8 Ų | 128.8 | 74% | 0.736 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -63.8 | -44 | 175.3 | -75.6 | -168 | -171 | 166.3 | 3.8 | 112.5 | W217 N223 | W217-R221 PolarHBondContact O-N 2.89Å; R221-N223 PolarHBondContact O-N 3.25Å |
| 222 | L | 48.3 | Very low | 41.3 | Very low | 111 Ų | 111 | 131 Ų | 131 | 58% | 0.581 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -65.5 | -24.7 | 177.9 | -82.6 | 161.4 | 0 | 0 | 0 | 113.1 | K218 W219 | K218-L222 HydrophobicContact CG-CD1 4.31Å; K218-L222 WeakPolarHBondContact O-CB 3.45Å; K218-L222 PolarHBondContact O-N 3.37Å; W219-L222 PolarHBondContact O-N 3.27Å |
| 223 | N | 45.3 | Very low | 41.2 | Very low | 42 Ų | 42 | 133.2 Ų | 133.2 | 23% | 0.225 | 61% | 0.613 | C | S | . | * | H | α-helix | trans | -97.5 | -19.2 | -179.3 | -75.3 | -32.9 | 0 | 0 | 0 | 115.3 | W219 W220 R221 D225 N226 E227 | W219-N223 VanDerWaalsContact CE3-ND2 3.29Å; W219-N223 VanDerWaalsContact CH2-ND2 3.32Å; W219-N223 WeakPolarHBondContact CH2-ND2 3.49Å; W219-N223 WeakPolarHBondContact CZ2-ND2 3.48Å; W219-N223 WeakPolarHBondContact CZ3-ND2 3.39Å; W219-N223 WeakPolarHBondContact O-CB 3.16Å; W219-N223 PolarHBondContact O-N 3.41Å; W219-N223 PolarHBondContact O-ND2 3Å; W220-N223 PolarHBondContact O-N 3.22Å; R221-N223 PolarHBondContact O-N 3.25Å; N223-D225 PolarHBondContact O-N 3.47Å; N223-N226 PolarHBondContact O-N 3.01Å; N223-N226 VanDerWaalsContact O-N 3.07Å; N223-E227 PolarHBondContact O-N 3.44Å |
| 224 | K | 43.9 | Very low | 40.9 | Very low | 156 Ų | 156 | 141.5 Ų | 141.5 | 68% | 0.678 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -58 | -36.4 | 169.8 | -109.3 | -160.5 | 178.4 | -176.4 | 0 | 111.4 | W220 N226 | W220-K224 PolarHBondContact O-N 3.38Å; K224-N226 VanDerWaalsContact C-N 3.35Å |
| 225 | D | 44.2 | Very low | 40.8 | Very low | 122 Ų | 122 | 142.7 Ų | 142.7 | 65% | 0.652 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.9 | -21 | 178.2 | -61 | -21.7 | 0 | 0 | 0 | 112.7 | N223 | N223-D225 PolarHBondContact O-N 3.47Š|
| 226 | N | 37.8 | Very low | 40.9 | Very low | 73 Ų | 73 | 141.7 Ų | 141.7 | 39% | 0.39 | 63% | 0.633 | S | S | . | * | G | 310 helix | trans | -91.3 | -10 | -179.6 | -81.7 | -15.7 | 0 | 0 | 0 | 114.6 | N223 K224 L228 F229 N230 | N223-N226 PolarHBondContact O-N 3.01Å; N223-N226 VanDerWaalsContact O-N 3.07Å; K224-N226 VanDerWaalsContact C-N 3.35Å; N226-L228 PolarHBondContact O-N 3.03Å; N226-F229 PolarHBondContact O-N 3.22Å; N226-N230 WeakPolarHBondContact O-CB 3.45Å; N226-N230 PolarHBondContact O-N 3.37Å |
| 227 | E | 42.3 | Very low | 40.7 | Very low | 151 Ų | 151 | 143.3 Ų | 143.3 | 71% | 0.706 | 64% | 0.644 | S | S | * | * | G | 310 helix | trans | -63.1 | -20.3 | 170 | -77.5 | -162.5 | 152.8 | 0 | 0 | 112.4 | N223 | N223-E227 PolarHBondContact O-N 3.44Š|
| 228 | L | 43.2 | Very low | 40.6 | Very low | 144 Ų | 144 | 141.7 Ų | 141.7 | 75% | 0.754 | 65% | 0.646 | S | S | * | * | G | 310 helix | trans | -73.3 | -24.3 | 172.1 | -83.8 | 158.5 | 0 | 0 | 0 | 113.7 | N226 | N226-L228 PolarHBondContact O-N 3.03Š|
| 229 | F | 39.3 | Very low | 40.3 | Very low | 165 Ų | 165 | 135.9 Ų | 135.9 | 72% | 0.724 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.4 | -15.5 | -178.3 | -72.1 | -75 | 0 | 0 | 0 | 115 | N226 N231 | N226-F229 PolarHBondContact O-N 3.22Å; F229-N231 VanDerWaalsContact C-N 3.32Å; F229-N231 PolarHBondContact O-N 3.45Å |
| 230 | N | 33.9 | Very low | 40.2 | Very low | 95 Ų | 95 | 132.6 Ų | 132.6 | 51% | 0.508 | 62% | 0.624 | S | S | . | * | G | 310 helix | trans | -82.8 | -2.3 | 179.4 | -83.2 | -31.9 | 0 | 0 | 0 | 115.4 | N226 V232 R233 | N226-N230 WeakPolarHBondContact O-CB 3.45Å; N226-N230 PolarHBondContact O-N 3.37Å; N230-V232 PolarHBondContact O-N 3.02Å; N230-V232 VanDerWaalsContact O-N 3.13Å; N230-R233 PolarHBondContact O-N 3.21Å |
| 231 | N | 37.1 | Very low | 40.3 | Very low | 133 Ų | 133 | 128.7 Ų | 128.7 | 71% | 0.711 | 61% | 0.614 | S | S | * | * | G | 310 helix | trans | -66.2 | -7.1 | 168.9 | -83.4 | -33.7 | 0 | 0 | 0 | 113.9 | F229 | F229-N231 VanDerWaalsContact C-N 3.32Å; F229-N231 PolarHBondContact O-N 3.45Å |
| 232 | V | 42.6 | Very low | 39.8 | Very low | 113 Ų | 113 | 121.7 Ų | 121.7 | 69% | 0.685 | 60% | 0.598 | S | S | * | * | G | 310 helix | trans | -89.9 | -25.8 | 177.5 | -174.9 | 0 | 0 | 0 | 0 | 113 | N230 | N230-V232 PolarHBondContact O-N 3.02Å; N230-V232 VanDerWaalsContact O-N 3.13Å |
| 233 | R | 38.4 | Very low | 39.3 | Very low | 207 Ų | 207 | 122.2 Ų | 122.2 | 78% | 0.781 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.7 | -24.5 | -171.2 | -145.8 | 173.2 | -157.4 | -148.4 | 3.7 | 115.9 | N230 R235 | N230-R233 PolarHBondContact O-N 3.21Å; R233-R235 VanDerWaalsContact C-N 3.35Å; R233-R235 PolarHBondContact O-N 3.09Å |
| 234 | R | 35.9 | Very low | 39.2 | Very low | 233 Ų | 233 | 126.3 Ų | 126.3 | 88% | 0.879 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | -7.2 | 178.9 | -84.1 | -165.3 | -163.1 | 130.9 | 2.5 | 115.2 | | |
| 235 | R | 35.8 | Very low | 38.9 | Very low | 203 Ų | 203 | 126.3 Ų | 126.3 | 77% | 0.766 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.2 | -5.2 | -179.8 | -78.2 | -173.2 | 164.7 | -145.7 | -2.7 | 115.4 | R233 G239 | R233-R235 VanDerWaalsContact C-N 3.35Å; R233-R235 PolarHBondContact O-N 3.09Å; R235-G239 PolarHBondContact O-N 3.12Å |
| 236 | Q | 41.9 | Very low | 38.7 | Very low | 134 Ų | 134 | 125.9 Ų | 125.9 | 63% | 0.626 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -76.4 | -26.2 | -177.1 | -71.4 | -169.7 | -14.8 | 0 | 0 | 114.6 | I240 | Q236-I240 WeakPolarHBondContact O-CG1 3.49Å; Q236-I240 PolarHBondContact O-N 3.49Å |
| 237 | S | 40.7 | Very low | 38.7 | Very low | 83 Ų | 83 | 131.1 Ų | 131.1 | 58% | 0.58 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -77.4 | -32.1 | 177.6 | 55.5 | 0 | 0 | 0 | 0 | 113.1 | I241 | S237-I241 WeakPolarHBondContact O-CG1 3.37Å; S237-I241 PolarHBondContact O-N 2.82Å |
| 238 | I | 36 | Very low | 38.5 | Very low | 120 Ų | 120 | 132.6 Ų | 132.6 | 62% | 0.615 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -74.5 | -31.7 | 175.2 | -137.6 | 77.8 | 0 | 0 | 0 | 111.2 | I241 A242 | I238-I241 PolarHBondContact O-N 3.06Å; I238-A242 VanDerWaalsContact O-CB 3.27Å; I238-A242 WeakPolarHBondContact O-CB 3.42Å; I238-A242 PolarHBondContact O-N 2.99Å |
| 239 | G | 38.7 | Very low | 38.4 | Very low | 31 Ų | 31 | 133.6 Ų | 133.6 | 32% | 0.32 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -64.9 | -42.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113 | R235 I241 A242 E243 | R235-G239 PolarHBondContact O-N 3.12Å; G239-I241 VanDerWaalsContact C-N 3.35Å; G239-I241 PolarHBondContact O-N 3.17Å; G239-A242 PolarHBondContact O-N 3.34Å; G239-E243 WeakPolarHBondContact O-CB 3.39Å; G239-E243 PolarHBondContact O-N 3.12Å |
| 240 | I | 37 | Very low | 38.3 | Very low | 104 Ų | 104 | 129.8 Ų | 129.8 | 53% | 0.533 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -67.4 | -37.9 | 179.2 | -64 | 166.2 | 0 | 0 | 0 | 111.2 | Q236 Q244 | Q236-I240 WeakPolarHBondContact O-CG1 3.49Å; Q236-I240 PolarHBondContact O-N 3.49Å; I240-Q244 WeakPolarHBondContact O-CB 3.11Å; I240-Q244 WeakPolarHBondContact O-CG 3.37Å; I240-Q244 PolarHBondContact O-N 2.9Å |
| 241 | I | 39.5 | Very low | 38.5 | Very low | 88 Ų | 88 | 131.2 Ų | 131.2 | 45% | 0.451 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -69.3 | -44.3 | 176.4 | -63 | 172.1 | 0 | 0 | 0 | 109.7 | S237 I238 G239 E243 Q244 Y245 | S237-I241 WeakPolarHBondContact O-CG1 3.37Å; S237-I241 PolarHBondContact O-N 2.82Å; I238-I241 PolarHBondContact O-N 3.06Å; G239-I241 VanDerWaalsContact C-N 3.35Å; G239-I241 PolarHBondContact O-N 3.17Å; I241-E243 PolarHBondContact O-N 3.29Å; I241-Q244 PolarHBondContact O-N 3.45Å; I241-Y245 HydrophobicContact CG2-CD2 3.65Å; I241-Y245 HydrophobicContact CG2-CE2 3.44Å; I241-Y245 VanDerWaalsContact CG2-CE2 3.44Å; I241-Y245 WeakPolarHBondContact O-CD2 3.32Å; I241-Y245 PolarHBondContact O-N 3.45Å |
| 242 | A | 35 | Very low | 38.5 | Very low | 48 Ų | 48 | 130.6 Ų | 130.6 | 40% | 0.397 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -63.9 | -37.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113 | I238 G239 Y245 L246 | I238-A242 VanDerWaalsContact O-CB 3.27Å; I238-A242 WeakPolarHBondContact O-CB 3.42Å; I238-A242 PolarHBondContact O-N 2.99Å; G239-A242 PolarHBondContact O-N 3.34Å; A242-Y245 PolarHBondContact O-N 3.46Å; A242-L246 WeakPolarHBondContact O-CB 3.39Å; A242-L246 PolarHBondContact O-N 3.42Å |
| 243 | E | 38.1 | Very low | 38.4 | Very low | 121 Ų | 121 | 135.2 Ų | 135.2 | 57% | 0.565 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -71.1 | -35 | 175.3 | -79 | -163.9 | -170.5 | 0 | 0 | 112.8 | G239 I241 Y245 L246 R247 | G239-E243 WeakPolarHBondContact O-CB 3.39Å; G239-E243 PolarHBondContact O-N 3.12Å; I241-E243 PolarHBondContact O-N 3.29Å; E243-Y245 VanDerWaalsContact C-N 3.31Å; E243-L246 PolarHBondContact O-N 3.44Å; E243-R247 WeakPolarHBondContact O-CG 3.32Å; E243-R247 PolarHBondContact O-N 3.06Å |
| 244 | Q | 43.1 | Very low | 38.3 | Very low | 128 Ų | 128 | 131.7 Ų | 131.7 | 60% | 0.598 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -64.8 | -38 | 171.6 | -75.6 | -178.2 | -1.4 | 0 | 0 | 111.5 | I240 I241 Y248 | I240-Q244 WeakPolarHBondContact O-CB 3.11Å; I240-Q244 WeakPolarHBondContact O-CG 3.37Å; I240-Q244 PolarHBondContact O-N 2.9Å; I241-Q244 PolarHBondContact O-N 3.45Å; Q244-Y248 PolarHBondContact O-N 3.03Å |
| 245 | Y | 36.9 | Very low | 38.1 | Very low | 156 Ų | 156 | 123.8 Ų | 123.8 | 61% | 0.612 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -69.8 | -37.6 | 174 | -79.6 | -69.8 | 0 | 0 | 0 | 112.7 | I241 A242 E243 Y248 F249 | I241-Y245 HydrophobicContact CG2-CD2 3.65Å; I241-Y245 HydrophobicContact CG2-CE2 3.44Å; I241-Y245 VanDerWaalsContact CG2-CE2 3.44Å; I241-Y245 WeakPolarHBondContact O-CD2 3.32Å; I241-Y245 PolarHBondContact O-N 3.45Å; A242-Y245 PolarHBondContact O-N 3.46Å; E243-Y245 VanDerWaalsContact C-N 3.31Å; Y245-Y248 PolarHBondContact O-N 3.03Å; Y245-F249 VanDerWaalsContact O-CD2 3.22Å; Y245-F249 WeakPolarHBondContact O-CD2 3.32Å |
| 246 | L | 39.1 | Very low | 37.9 | Very low | 113 Ų | 113 | 122.4 Ų | 122.4 | 59% | 0.592 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -69.3 | -37.6 | 177.2 | -84.1 | 161 | 0 | 0 | 0 | 112.5 | A242 E243 Y248 F249 T250 | A242-L246 WeakPolarHBondContact O-CB 3.39Å; A242-L246 PolarHBondContact O-N 3.42Å; E243-L246 PolarHBondContact O-N 3.44Å; L246-Y248 PolarHBondContact O-N 2.89Å; L246-F249 PolarHBondContact O-N 3.14Å; L246-T250 PolarHBondContact O-N 3.17Å; L246-T250 PolarHBondContact O-OG1 3.31Å |
| 247 | R | 38.8 | Very low | 37.5 | Very low | 184 Ų | 184 | 121.1 Ų | 121.1 | 69% | 0.694 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -64.8 | -24.4 | 173.8 | -74.9 | -171.9 | -169.1 | -160.5 | 3.1 | 113.3 | E243 F249 | E243-R247 WeakPolarHBondContact O-CG 3.32Å; E243-R247 PolarHBondContact O-N 3.06Å; R247-F249 VanDerWaalsContact C-N 3.29Å |
| 248 | Y | 38.3 | Very low | 37.2 | Very low | 182 Ų | 182 | 128.3 Ų | 128.3 | 71% | 0.714 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -73.3 | -19.7 | 173.1 | -104.5 | -85.6 | 0 | 0 | 0 | 113.5 | Q244 Y245 L246 N251 | Q244-Y248 PolarHBondContact O-N 3.03Å; Y245-Y248 PolarHBondContact O-N 3.03Å; L246-Y248 PolarHBondContact O-N 2.89Å; Y248-N251 PolarHBondContact O-ND2 3.06Å |
| 249 | F | 40.2 | Very low | 36.8 | Very low | 165 Ų | 165 | 126 Ų | 126 | 72% | 0.724 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -104.7 | -19 | 177.7 | -68.6 | -69.5 | 0 | 0 | 0 | 114 | Y245 L246 R247 N251 | Y245-F249 VanDerWaalsContact O-CD2 3.22Å; Y245-F249 WeakPolarHBondContact O-CD2 3.32Å; L246-F249 PolarHBondContact O-N 3.14Å; R247-F249 VanDerWaalsContact C-N 3.29Å; F249-N251 PolarHBondContact O-N 3.41Å |
| 250 | T | 38 | Very low | 36.3 | Very low | 85 Ų | 85 | 128.9 Ų | 128.9 | 52% | 0.521 | 66% | 0.659 | S | S | . | * | | | trans | -82.2 | 56.6 | 161.6 | 65.2 | 0 | 0 | 0 | 0 | 109.3 | L246 D252 | L246-T250 PolarHBondContact O-N 3.17Å; L246-T250 PolarHBondContact O-OG1 3.31Å; T250-D252 PolarHBondContact O-N 2.96Å |
| 251 | N | 36.8 | Very low | 35.9 | Very low | 125 Ų | 125 | 129.7 Ų | 129.7 | 67% | 0.668 | 67% | 0.674 | S | S | * | * | | | trans | -69.2 | 89.6 | 151.4 | -75.4 | -45.7 | 0 | 0 | 0 | 104.9 | Y248 F249 K253 | Y248-N251 PolarHBondContact O-ND2 3.06Å; F249-N251 PolarHBondContact O-N 3.41Å; N251-K253 PolarHBondContact O-N 3.35Å |
| 252 | D | 37.7 | Very low | 35.4 | Very low | 119 Ų | 119 | 132.4 Ų | 132.4 | 64% | 0.636 | 69% | 0.688 | S | S | * | * | | | trans | -41.8 | 117.9 | 153.6 | -74.7 | -36.2 | 0 | 0 | 0 | 106 | T250 N254 | T250-D252 PolarHBondContact O-N 2.96Å; D252-N254 PolarHBondContact O-N 3.46Å |
| 253 | K | 40.8 | Very low | 35.2 | Very low | 211 Ų | 211 | 134.8 Ų | 134.8 | 92% | 0.917 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -61.7 | 5.4 | 173.1 | -71.7 | -176.3 | 176 | 179.2 | 0 | 112.2 | N251 G255 | N251-K253 PolarHBondContact O-N 3.35Å; K253-G255 PolarHBondContact O-N 2.82Å |
| 254 | N | 36.8 | Very low | 34.9 | Very low | 132 Ų | 132 | 134.8 Ų | 134.8 | 71% | 0.706 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -89.3 | 98.8 | 171.8 | -67.7 | -13 | 0 | 0 | 0 | 108.3 | D252 H256 | D252-N254 PolarHBondContact O-N 3.46Å; N254-H256 PolarHBondContact O-N 2.83Å |
| 255 | G | 31.2 | Very low | 34.3 | Very low | 67 Ų | 67 | 134.8 Ų | 134.8 | 69% | 0.691 | 72% | 0.719 | S | S | * | * | | | trans | -29.7 | 105.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | K253 S257 | K253-G255 PolarHBondContact O-N 2.82Å; G255-S257 PolarHBondContact O-N 2.99Å; G255-S257 VanDerWaalsContact O-N 3.11Å |
| 256 | H | 31.2 | Very low | 33.9 | Very low | 175 Ų | 175 | 134.6 Ų | 134.6 | 81% | 0.81 | 73% | 0.729 | S | S | * | * | | | trans | -75.3 | 82.9 | 139.3 | -66.5 | -46.4 | 0 | 0 | 0 | 106.4 | N254 R258 | N254-H256 PolarHBondContact O-N 2.83Å; H256-R258 PolarHBondContact O-N 3.33Å |
| 257 | S | 34 | Very low | 33.4 | Very low | 107 Ų | 107 | 135.9 Ų | 135.9 | 75% | 0.748 | 74% | 0.736 | S | S | * | * | | | trans | -49.8 | 112.6 | 154.6 | 46.1 | 0 | 0 | 0 | 0 | 105.3 | G255 G259 | G255-S257 PolarHBondContact O-N 2.99Å; G255-S257 VanDerWaalsContact O-N 3.11Å; S257-G259 PolarHBondContact O-N 3.35Å |
| 258 | R | 34.6 | Very low | 32.8 | Very low | 234 Ų | 234 | 134.2 Ų | 134.2 | 88% | 0.883 | 74% | 0.741 | S | S | * | * | | | trans | -47.3 | 117.9 | 166 | -80.4 | 174.5 | 157.6 | 149.8 | -5.2 | 104.9 | H256 S260 | H256-R258 PolarHBondContact O-N 3.33Å; R258-S260 PolarHBondContact O-N 3.45Å |
| 259 | G | 26.9 | Very low | 32.4 | Very low | 72 Ų | 72 | 132.3 Ų | 132.3 | 74% | 0.742 | 74% | 0.744 | S | S | * | * | | | trans | -58.7 | 82.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 107.5 | S257 S261 | S257-G259 PolarHBondContact O-N 3.35Å; G259-S261 VanDerWaalsContact C-N 3.26Å; G259-S261 PolarHBondContact O-N 2.96Å |
| 260 | S | 28.6 | Very low | 31.8 | Very low | 91 Ų | 91 | 131.3 Ų | 131.3 | 64% | 0.636 | 75% | 0.746 | S | S | * | * | | | trans | -59.4 | 104.2 | 155.8 | 43.7 | 0 | 0 | 0 | 0 | 103.8 | R258 L262 | R258-S260 PolarHBondContact O-N 3.45Å; S260-L262 PolarHBondContact O-N 3.37Å |
| 261 | S | 28.7 | Very low | 31.4 | Very low | 121 Ų | 121 | 134.3 Ų | 134.3 | 85% | 0.846 | 76% | 0.759 | S | S | * | * | | | trans | -53.9 | 82 | 166.4 | -31.1 | 0 | 0 | 0 | 0 | 107.6 | G259 | G259-S261 VanDerWaalsContact C-N 3.26Å; G259-S261 PolarHBondContact O-N 2.96Å |
| 262 | L | 28.1 | Very low | 30.9 | Very low | 144 Ų | 144 | 136.1 Ų | 136.1 | 75% | 0.754 | 77% | 0.768 | S | S | * | * | | | trans | -76.9 | 129.9 | 165.9 | -73 | 173.4 | 0 | 0 | 0 | 106.4 | S260 | S260-L262 PolarHBondContact O-N 3.37Š|
| 263 | P | 30.9 | Very low | 30.5 | Very low | 98 Ų | 98 | 137 Ų | 137 | 64% | 0.636 | 77% | 0.771 | S | S | * | * | | | trans | -61.5 | 150.4 | -175.7 | 25.3 | -32.7 | 0 | 0 | 0 | 110.7 | T265 | P263-T265 PolarHBondContact O-N 3.29Å; P263-T265 PolarHBondContact O-OG1 3Å |
| 264 | P | 31.9 | Very low | 29.9 | Very low | 122 Ų | 122 | 132 Ų | 132 | 79% | 0.792 | 76% | 0.763 | S | S | * | * | | | trans | -57.8 | 114.8 | -174.2 | 23.8 | -31.6 | 0 | 0 | 0 | 109.1 | | |
| 265 | T | 30.4 | Very low | 29.6 | Very low | 127 Ų | 127 | 134.8 Ų | 134.8 | 78% | 0.779 | 77% | 0.769 | S | S | * | * | | | trans | -95.5 | 99 | 173.9 | -20.4 | 0 | 0 | 0 | 0 | 106.6 | P263 N267 | P263-T265 PolarHBondContact O-N 3.29Å; P263-T265 PolarHBondContact O-OG1 3Å; T265-N267 PolarHBondContact O-N 2.82Å |
| 266 | D | 28.3 | Very low | 29.5 | Very low | 153 Ų | 153 | 138.7 Ų | 138.7 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | | | trans | -62.5 | 103 | 163.7 | -69.2 | -36.1 | 0 | 0 | 0 | 107.3 | | |
| 267 | N | 29.6 | Very low | 29.3 | Very low | 139 Ų | 139 | 139.1 Ų | 139.1 | 74% | 0.743 | 78% | 0.776 | S | S | * | * | | | trans | -145.3 | 98.8 | 159.2 | -130.8 | -6.6 | 0 | 0 | 0 | 111.3 | T265 N269 | T265-N267 PolarHBondContact O-N 2.82Å; N267-N269 PolarHBondContact O-N 2.91Å; N267-N269 VanDerWaalsContact O-N 3.14Å |
| 268 | N | 26.4 | Very low | 29.1 | Very low | 149 Ų | 149 | 141.8 Ų | 141.8 | 80% | 0.797 | 78% | 0.777 | S | S | * | * | | | trans | -36.8 | 111.7 | 146.6 | -93.1 | -32 | 0 | 0 | 0 | 110.1 | | |
| 269 | N | 30.3 | Very low | 28.8 | Very low | 143 Ų | 143 | 139.7 Ų | 139.7 | 77% | 0.765 | 77% | 0.774 | S | S | * | * | | | trans | -152.3 | 102.9 | 143.1 | -117.9 | -14.9 | 0 | 0 | 0 | 110.2 | N267 N271 | N267-N269 PolarHBondContact O-N 2.91Å; N267-N269 VanDerWaalsContact O-N 3.14Å; N269-N271 PolarHBondContact O-N 2.98Å |
| 270 | N | 25.9 | Very low | 29 | Very low | 144 Ų | 144 | 142.7 Ų | 142.7 | 77% | 0.77 | 77% | 0.772 | S | S | * | * | | | trans | -50.7 | 122.9 | 154.9 | -70.6 | -35.5 | 0 | 0 | 0 | 108.6 | | |
| 271 | N | 30.1 | Very low | 29.1 | Very low | 148 Ų | 148 | 143.7 Ų | 143.7 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | | | trans | -154.3 | 103.2 | 147.6 | -93.9 | -28.7 | 0 | 0 | 0 | 109.3 | N269 I273 | N269-N271 PolarHBondContact O-N 2.98Å; N271-I273 PolarHBondContact O-N 2.96Å |
| 272 | N | 26.4 | Very low | 28.9 | Very low | 163 Ų | 163 | 143.6 Ų | 143.6 | 87% | 0.872 | 78% | 0.776 | S | S | * | * | | | trans | -59.8 | 112.4 | 163.7 | -64.8 | -47.1 | 0 | 0 | 0 | 109.2 | | |
| 273 | I | 30 | Very low | 29 | Very low | 136 Ų | 136 | 144.7 Ų | 144.7 | 70% | 0.697 | 78% | 0.777 | S | S | * | * | | | trans | -136 | 100 | 152.8 | -64.4 | -176 | 0 | 0 | 0 | 107.7 | N271 K275 | N271-I273 PolarHBondContact O-N 2.96Å; I273-K275 HydrophobicContact CG2-CG 4.31Å; I273-K275 PolarHBondContact O-N 3.31Å |
| 274 | S | 26.7 | Very low | 28.8 | Very low | 106 Ų | 106 | 147.5 Ų | 147.5 | 74% | 0.741 | 79% | 0.787 | S | S | * | * | | | trans | -50.6 | 128.3 | 159.3 | 46.1 | 0 | 0 | 0 | 0 | 109.9 | | |
| 275 | K | 30.5 | Very low | 28.7 | Very low | 192 Ų | 192 | 149.5 Ų | 149.5 | 84% | 0.835 | 79% | 0.785 | S | S | * | * | | | trans | -124.8 | 114.7 | 160 | -77.5 | -171.2 | 177.8 | -179.9 | 0 | 108.1 | I273 | I273-K275 HydrophobicContact CG2-CG 4.31Å; I273-K275 PolarHBondContact O-N 3.31Å |
| 276 | N | 29.9 | Very low | 28.6 | Very low | 149 Ų | 149 | 152.8 Ų | 152.8 | 80% | 0.797 | 79% | 0.789 | S | S | * | * | | | trans | -46.3 | 135.7 | -175.2 | -68.8 | -32.3 | 0 | 0 | 0 | 113.4 | E278 | N276-E278 VanDerWaalsContact C-N 3.35Å; N276-E278 PolarHBondContact O-N 3.24Å; N276-E278 VanDerWaalsContact O-N 3.08Å |
| 277 | E | 26.6 | Very low | 28.6 | Very low | 183 Ų | 183 | 153.3 Ų | 153.3 | 86% | 0.855 | 79% | 0.791 | S | S | * | * | | | trans | -68.6 | 88.6 | 160.3 | -66.5 | -176.5 | 160.9 | 0 | 0 | 109.2 | K279 | E277-K279 PolarHBondContact O-N 2.81Š|
| 278 | E | 30.6 | Very low | 28.5 | Very low | 164 Ų | 164 | 154 Ų | 154 | 77% | 0.766 | 79% | 0.794 | S | S | * | * | | | trans | -89.2 | 94.3 | 169.5 | -157.3 | 169.6 | -175.3 | 0 | 0 | 109.1 | N276 I280 | N276-E278 VanDerWaalsContact C-N 3.35Å; N276-E278 PolarHBondContact O-N 3.24Å; N276-E278 VanDerWaalsContact O-N 3.08Å; E278-I280 HydrophobicContact CG-CG1 4.2Å; E278-I280 PolarHBondContact O-N 3.21Å; E278-I280 VanDerWaalsContact O-N 3.16Å |
| 279 | K | 27.2 | Very low | 28.7 | Very low | 189 Ų | 189 | 153.1 Ų | 153.1 | 82% | 0.822 | 79% | 0.794 | S | S | * | * | | | trans | -67.1 | 99.9 | 168.3 | -76.8 | 174.6 | 177.5 | 172.2 | 0 | 108.9 | E277 | E277-K279 PolarHBondContact O-N 2.81Š|
| 280 | I | 31.6 | Very low | 28.6 | Very low | 135 Ų | 135 | 158 Ų | 158 | 69% | 0.692 | 80% | 0.802 | S | S | * | * | | | trans | -100.6 | 120.2 | 165.6 | -56.7 | 179 | 0 | 0 | 0 | 108.4 | E278 | E278-I280 HydrophobicContact CG-CG1 4.2Å; E278-I280 PolarHBondContact O-N 3.21Å; E278-I280 VanDerWaalsContact O-N 3.16Å |
| 281 | P | 30.1 | Very low | 28.7 | Very low | 112 Ų | 112 | 160.1 Ų | 160.1 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | | | trans | -75.3 | 146.3 | -174.2 | 28.3 | -32.5 | 0 | 0 | 0 | 113.1 | E283 | P281-E283 PolarHBondContact O-N 3.29Å; P281-E283 VanDerWaalsContact O-N 3.11Å |
| 282 | S | 26.2 | Very low | 28.7 | Very low | 120 Ų | 120 | 157.8 Ų | 157.8 | 84% | 0.839 | 80% | 0.799 | S | S | * | * | | | trans | -54.1 | 101.1 | 179.2 | -43.8 | 0 | 0 | 0 | 0 | 113.2 | | |
| 283 | E | 29.1 | Very low | 29 | Very low | 166 Ų | 166 | 158 Ų | 158 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | | | trans | -93.5 | 117.6 | 168.4 | -159.6 | 173.4 | -160.2 | 0 | 0 | 109.8 | P281 Q285 | P281-E283 PolarHBondContact O-N 3.29Å; P281-E283 VanDerWaalsContact O-N 3.11Å; E283-Q285 VanDerWaalsContact C-N 3.29Å; E283-Q285 PolarHBondContact O-N 3.15Å |
| 284 | N | 26.8 | Very low | 29.1 | Very low | 158 Ų | 158 | 158.3 Ų | 158.3 | 85% | 0.845 | 80% | 0.798 | S | S | * | * | | | trans | -64.6 | 79.4 | 179.1 | -72.4 | -57.1 | 0 | 0 | 0 | 111.3 | K286 | N284-K286 VanDerWaalsContact C-N 3.34Å; N284-K286 PolarHBondContact O-N 3.29Å |
| 285 | Q | 29.3 | Very low | 29.4 | Very low | 164 Ų | 164 | 161.2 Ų | 161.2 | 77% | 0.766 | 80% | 0.8 | S | S | * | * | | | trans | -77 | 92.5 | 169.1 | -71.6 | -170.9 | 15.9 | 0 | 0 | 109.6 | E283 L287 | E283-Q285 VanDerWaalsContact C-N 3.29Å; E283-Q285 PolarHBondContact O-N 3.15Å; Q285-L287 PolarHBondContact O-N 2.88Å |
| 286 | K | 28.3 | Very low | 29.7 | Very low | 195 Ų | 195 | 158.6 Ų | 158.6 | 85% | 0.848 | 79% | 0.791 | S | S | * | * | | | trans | -43.4 | 96.5 | 162.9 | -144.2 | 174.6 | -172.5 | 179.3 | 0 | 108.8 | N284 N288 | N284-K286 VanDerWaalsContact C-N 3.34Å; N284-K286 PolarHBondContact O-N 3.29Å; K286-N288 PolarHBondContact O-N 2.84Å |
| 287 | L | 29.3 | Very low | 30.1 | Very low | 165 Ų | 165 | 157.7 Ų | 157.7 | 86% | 0.864 | 79% | 0.786 | S | S | * | * | | | trans | -61.6 | 103.1 | 175 | -92.7 | 158.1 | 0 | 0 | 0 | 108.4 | Q285 V289 | Q285-L287 PolarHBondContact O-N 2.88Å; L287-V289 PolarHBondContact O-N 2.77Å; L287-V289 VanDerWaalsContact O-N 3.07Å |
| 288 | N | 28.1 | Very low | 30.6 | Very low | 152 Ų | 152 | 155 Ų | 155 | 81% | 0.813 | 78% | 0.776 | S | S | * | * | | | trans | -57.2 | 109.5 | 171 | -88.4 | -39 | 0 | 0 | 0 | 108.9 | K286 R290 | K286-N288 PolarHBondContact O-N 2.84Å; N288-R290 PolarHBondContact O-N 2.67Å |
| 289 | V | 30.2 | Very low | 30.9 | Very low | 131 Ų | 131 | 153.9 Ų | 153.9 | 79% | 0.794 | 77% | 0.774 | S | S | * | * | | | trans | -61.9 | 99.6 | 167.4 | 178 | 0 | 0 | 0 | 0 | 107.2 | L287 K291 | L287-V289 PolarHBondContact O-N 2.77Å; L287-V289 VanDerWaalsContact O-N 3.07Å; V289-K291 PolarHBondContact O-N 2.91Å |
| 290 | R | 27.4 | Very low | 31.2 | Very low | 246 Ų | 246 | 150.9 Ų | 150.9 | 93% | 0.928 | 77% | 0.767 | S | S | * | * | | | trans | -58.5 | 101.8 | 169.2 | -92 | -179.8 | 170.4 | 167.9 | -3.3 | 108.2 | N288 | N288-R290 PolarHBondContact O-N 2.67Š|
| 291 | K | 29.1 | Very low | 31.3 | Very low | 189 Ų | 189 | 151.3 Ų | 151.3 | 82% | 0.822 | 77% | 0.771 | S | S | * | * | | | trans | -71 | 153.6 | 157.4 | -69.8 | -178.8 | 176.1 | -179.3 | 0 | 108.4 | V289 | V289-K291 PolarHBondContact O-N 2.91Š|
| 292 | S | 29.1 | Very low | 31.5 | Very low | 98 Ų | 98 | 152.9 Ų | 152.9 | 69% | 0.685 | 77% | 0.773 | S | S | * | * | | | trans | 86 | 86.4 | 167.9 | -177 | 0 | 0 | 0 | 0 | 116.7 | | |
| 293 | L | 32.2 | Very low | 31.7 | Very low | 167 Ų | 167 | 153.8 Ų | 153.8 | 87% | 0.874 | 77% | 0.768 | S | S | * | * | | | trans | -120.4 | 112.3 | 134.4 | -100.6 | 150.6 | 0 | 0 | 0 | 106 | | |
| 294 | Q | 32 | Very low | 31.8 | Very low | 144 Ų | 144 | 151.5 Ų | 151.5 | 67% | 0.673 | 77% | 0.765 | S | S | * | * | | | trans | -64 | 139.7 | -175.7 | -75.3 | 169.6 | -36.3 | 0 | 0 | 110.3 | E296 | Q294-E296 PolarHBondContact O-N 2.81Š|
| 295 | Q | 32.9 | Very low | 32 | Very low | 167 Ų | 167 | 152.2 Ų | 152.2 | 78% | 0.78 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67 | 6.2 | -175.8 | -163.5 | 94.5 | 7.7 | 0 | 0 | 113.9 | | |
| 296 | E | 38.1 | Very low | 31.8 | Very low | 137 Ų | 137 | 152.8 Ų | 152.8 | 64% | 0.64 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.6 | -17.8 | -166.4 | -81.3 | 159 | 165 | 0 | 0 | 114.4 | Q294 I298 L299 | Q294-E296 PolarHBondContact O-N 2.81Å; E296-I298 VanDerWaalsContact C-N 3.29Å; E296-I298 PolarHBondContact O-N 2.9Å; E296-L299 PolarHBondContact O-N 2.78Å |
| 297 | D | 38.8 | Very low | 31.8 | Very low | 130 Ų | 130 | 151.8 Ų | 151.8 | 70% | 0.695 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.6 | -12.4 | 177.8 | -72.9 | -24.8 | 0 | 0 | 0 | 114 | | |
| 298 | I | 37 | Very low | 31.8 | Very low | 126 Ų | 126 | 151.3 Ų | 151.3 | 65% | 0.646 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.2 | -20.6 | 178.3 | -60 | 177.7 | 0 | 0 | 0 | 111.5 | E296 | E296-I298 VanDerWaalsContact C-N 3.29Å; E296-I298 PolarHBondContact O-N 2.9Å |
| 299 | L | 36 | Very low | 31.7 | Very low | 140 Ų | 140 | 152.3 Ų | 152.3 | 73% | 0.733 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.3 | -19.2 | -175 | -129 | 74.6 | 0 | 0 | 0 | 114.4 | E296 | E296-L299 PolarHBondContact O-N 2.78Š|
| 300 | N | 33.1 | Very low | 31.5 | Very low | 126 Ų | 126 | 149.4 Ų | 149.4 | 67% | 0.674 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -85.8 | -17.6 | -178.1 | -85.1 | -13.8 | 0 | 0 | 0 | 114.9 | | |
| 301 | N | 34.8 | Very low | 31.4 | Very low | 144 Ų | 144 | 147 Ų | 147 | 77% | 0.77 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | -5.6 | -179.4 | -82.4 | -30.6 | 0 | 0 | 0 | 114.7 | | |
| 302 | L | 33.6 | Very low | 31.2 | Very low | 145 Ų | 145 | 143.8 Ų | 143.8 | 76% | 0.759 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.8 | -6.9 | 177 | -77.7 | 167.5 | 0 | 0 | 0 | 114.3 | | |
| 303 | N | 30 | Very low | 31.1 | Very low | 139 Ų | 139 | 143.6 Ų | 143.6 | 74% | 0.743 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -99.4 | 7.3 | -174 | -141 | 13.8 | 0 | 0 | 0 | 115.3 | | |
| 304 | V | 32.2 | Very low | 30.7 | Very low | 119 Ų | 119 | 144.5 Ų | 144.5 | 72% | 0.721 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -108 | -2.3 | -174.3 | -174.8 | 0 | 0 | 0 | 0 | 114.2 | | |
| 305 | H | 29.4 | Very low | 30.6 | Very low | 172 Ų | 172 | 143.5 Ų | 143.5 | 80% | 0.796 | 77% | 0.765 | S | S | * | * | | | trans | -110.5 | 18.7 | -175 | -106.7 | -64.8 | 0 | 0 | 0 | 117.3 | | |
| 306 | H | 27.1 | Very low | 30.3 | Very low | 177 Ų | 177 | 143.7 Ų | 143.7 | 82% | 0.819 | 76% | 0.763 | S | S | * | * | | | trans | -100.3 | 50.5 | 170.4 | -81 | -56.5 | 0 | 0 | 0 | 113.3 | | |
| 307 | Q | 28.1 | Very low | 29.9 | Very low | 173 Ų | 173 | 143.1 Ų | 143.1 | 81% | 0.808 | 77% | 0.769 | S | S | * | * | | | trans | -147.4 | 97.3 | 157.1 | -73.1 | -155.9 | 0.8 | 0 | 0 | 109.2 | | |
| 308 | N | 28.1 | Very low | 29.2 | Very low | 155 Ų | 155 | 146.1 Ų | 146.1 | 83% | 0.829 | 77% | 0.772 | S | S | * | * | | | trans | -160 | 90.4 | 149.3 | -93.6 | -26.1 | 0 | 0 | 0 | 108 | G310 | N308-G310 VanDerWaalsContact C-N 3.31Å; N308-G310 PolarHBondContact O-N 2.72Å |
| 309 | N | 25.7 | Very low | 29 | Very low | 173 Ų | 173 | 145.3 Ų | 145.3 | 93% | 0.925 | 78% | 0.775 | S | S | * | * | | | trans | -66.5 | 92.4 | 163 | -67.8 | -21.1 | 0 | 0 | 0 | 107.5 | | |
| 310 | G | 27.1 | Very low | 28.6 | Very low | 70 Ų | 70 | 144.3 Ų | 144.3 | 72% | 0.722 | 78% | 0.777 | S | S | * | * | | | trans | -104 | 83.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | N308 C312 | N308-G310 VanDerWaalsContact C-N 3.31Å; N308-G310 PolarHBondContact O-N 2.72Å; G310-C312 PolarHBondContact O-N 2.97Å |
| 311 | E | 24.4 | Very low | 28.3 | Very low | 197 Ų | 197 | 144.6 Ų | 144.6 | 92% | 0.921 | 78% | 0.783 | S | S | * | * | | | trans | -59.4 | 111.9 | 162.5 | -68 | 177.8 | 158.4 | 0 | 0 | 108.4 | | |
| 312 | C | 24.9 | Very low | 28 | Very low | 121 Ų | 121 | 147 Ų | 147 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | | | trans | -121.4 | 101.5 | 170.7 | -159.1 | 0 | 0 | 0 | 0 | 109.7 | G310 | G310-C312 PolarHBondContact O-N 2.97Š|
| 313 | S | 27.6 | Very low | 27.7 | Very low | 94 Ų | 94 | 147.6 Ų | 147.6 | 66% | 0.657 | 79% | 0.793 | S | S | * | * | | | trans | -14.7 | 130.3 | 166.9 | 47.9 | 0 | 0 | 0 | 0 | 118.9 | V315 | S313-V315 PolarHBondContact O-N 2.96Š|
| 314 | H | 24.6 | Very low | 27.6 | Very low | 186 Ų | 186 | 144.2 Ų | 144.2 | 86% | 0.861 | 79% | 0.791 | S | S | * | * | | | trans | -54 | 111.4 | 162.8 | -59.9 | -77.3 | 0 | 0 | 0 | 112.8 | | |
| 315 | V | 28.9 | Very low | 27.4 | Very low | 122 Ų | 122 | 147 Ų | 147 | 74% | 0.739 | 80% | 0.796 | S | S | * | * | | | trans | -97.5 | 97 | 163.3 | -177.8 | 0 | 0 | 0 | 0 | 108.1 | S313 T317 | S313-V315 PolarHBondContact O-N 2.96Å; V315-T317 PolarHBondContact O-N 2.8Å |
| 316 | K | 27.3 | Very low | 27.2 | Very low | 172 Ų | 172 | 145.7 Ų | 145.7 | 75% | 0.748 | 79% | 0.794 | S | S | * | * | | | trans | -69.6 | 107.2 | 166.6 | -77.1 | 173.6 | 173.1 | 178.4 | 0 | 108.5 | Y318 | K316-Y318 HydrophobicContact CB-CD2 4.29Å; K316-Y318 HydrophobicContact CB-CE2 4.38Å; K316-Y318 HydrophobicContact CD-CE2 4.28Å |
| 317 | T | 28.5 | Very low | 27.3 | Very low | 124 Ų | 124 | 143.9 Ų | 143.9 | 76% | 0.761 | 79% | 0.789 | S | S | * | * | | | trans | -97.4 | 91.8 | 169.8 | -50.7 | 0 | 0 | 0 | 0 | 108.7 | V315 | V315-T317 PolarHBondContact O-N 2.8Š|
| 318 | Y | 24.5 | Very low | 27.2 | Very low | 194 Ų | 194 | 142.3 Ų | 142.3 | 76% | 0.761 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -86.7 | 126.6 | 163 | -79.1 | -86.9 | 0 | 0 | 0 | 109 | K316 | K316-Y318 HydrophobicContact CB-CD2 4.29Å; K316-Y318 HydrophobicContact CB-CE2 4.38Å; K316-Y318 HydrophobicContact CD-CE2 4.28Å |
| 319 | P | 32.5 | Very low | 27 | Very low | 108 Ų | 108 | 143.3 Ų | 143.3 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 140 | 152.3 | 30.5 | -27.9 | 0 | 0 | 0 | 109.9 | | |
| 320 | P | 28.4 | Very low | 27 | Very low | 120 Ų | 120 | 142.6 Ų | 142.6 | 78% | 0.779 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 146.4 | 179.8 | 28.5 | -32 | 0 | 0 | 0 | 112.8 | | |
| 321 | T | 26.9 | Very low | 27 | Very low | 132 Ų | 132 | 148.1 Ų | 148.1 | 81% | 0.81 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 131.8 | 171.6 | 28.7 | 0 | 0 | 0 | 0 | 112.7 | | |
| 322 | H | 28.2 | Very low | 27.2 | Very low | 194 Ų | 194 | 143.6 Ų | 143.6 | 90% | 0.898 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 117.1 | 163.9 | -91.4 | -77.7 | 0 | 0 | 0 | 109.7 | G324 | H322-G324 PolarHBondContact O-N 3.3Š|
| 323 | D | 27 | Very low | 27.1 | Very low | 158 Ų | 158 | 147.3 Ų | 147.3 | 85% | 0.845 | 77% | 0.767 | S | S | * | * | | | trans | -56.3 | 115.1 | 167.2 | -72.3 | -48.6 | 0 | 0 | 0 | 110.7 | | |
| 324 | G | 28.1 | Very low | 27 | Very low | 67 Ų | 67 | 151.1 Ų | 151.1 | 69% | 0.691 | 77% | 0.774 | S | S | * | * | | | trans | -141 | 90.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | H322 L326 | H322-G324 PolarHBondContact O-N 3.3Å; G324-L326 PolarHBondContact O-N 3.1Å |
| 325 | H | 27.2 | Very low | 27 | Very low | 178 Ų | 178 | 150.2 Ų | 150.2 | 82% | 0.824 | 77% | 0.77 | S | S | * | * | | | trans | -29.9 | 112.1 | -177.2 | -77.4 | -85.9 | 0 | 0 | 0 | 116.2 | I327 | H325-I327 PolarHBondContact O-N 3.26Š|
| 326 | L | 26.8 | Very low | 27 | Very low | 144 Ų | 144 | 151 Ų | 151 | 75% | 0.754 | 77% | 0.77 | S | S | * | * | | | trans | -72.4 | 99.8 | 157.8 | -75.8 | 161.5 | 0 | 0 | 0 | 108.6 | G324 F328 | G324-L326 PolarHBondContact O-N 3.1Å; L326-F328 HydrophobicContact CB-CD2 3.95Å; L326-F328 HydrophobicContact CB-CE2 3.8Å; L326-F328 HydrophobicContact CD1-CE2 4.08Å; L326-F328 HydrophobicContact CG-CE2 4.36Å; L326-F328 PolarHBondContact O-N 2.63Å |
| 327 | I | 28.3 | Very low | 26.9 | Very low | 139 Ų | 139 | 150.5 Ų | 150.5 | 71% | 0.713 | 77% | 0.771 | S | S | * | * | | | trans | -86.4 | 96.5 | 164 | -59.2 | -178.8 | 0 | 0 | 0 | 107.2 | H325 H329 | H325-I327 PolarHBondContact O-N 3.26Å; I327-H329 PolarHBondContact O-N 3.25Å |
| 328 | F | 25.9 | Very low | 27 | Very low | 141 Ų | 141 | 150 Ų | 150 | 62% | 0.618 | 77% | 0.767 | S | S | * | * | | | trans | -69.6 | 105.8 | 165.8 | -79.7 | -96.1 | 0 | 0 | 0 | 109.2 | L326 H330 | L326-F328 HydrophobicContact CB-CD2 3.95Å; L326-F328 HydrophobicContact CB-CE2 3.8Å; L326-F328 HydrophobicContact CD1-CE2 4.08Å; L326-F328 HydrophobicContact CG-CE2 4.36Å; L326-F328 PolarHBondContact O-N 2.63Å; F328-H330 AromaticContact CD1-NE2 3.48Å; F328-H330 WeakPolarHBondContact CD1-NE2 3.49Å |
| 329 | H | 25.1 | Very low | 27 | Very low | 176 Ų | 176 | 149.8 Ų | 149.8 | 82% | 0.815 | 77% | 0.77 | S | S | * | * | | | trans | -102 | 94.8 | 156.6 | -94.6 | -71.3 | 0 | 0 | 0 | 108.8 | I327 | I327-H329 PolarHBondContact O-N 3.25Š|
| 330 | H | 24.7 | Very low | 26.7 | Very low | 157 Ų | 157 | 152.9 Ų | 152.9 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | | | trans | -72.9 | 121.1 | 159.7 | -72.9 | -82.9 | 0 | 0 | 0 | 108.2 | F328 | F328-H330 AromaticContact CD1-NE2 3.48Å; F328-H330 WeakPolarHBondContact CD1-NE2 3.49Å |
| 331 | Q | 27 | Very low | 26.5 | Very low | 187 Ų | 187 | 155.1 Ų | 155.1 | 87% | 0.874 | 78% | 0.775 | S | S | * | * | | | trans | -139.8 | 135.8 | 153.2 | -141.2 | 171.1 | 14.3 | 0 | 0 | 110.2 | | |
| 332 | P | 28.1 | Very low | 26.3 | Very low | 102 Ų | 102 | 157 Ų | 157 | 66% | 0.662 | 78% | 0.775 | S | S | * | * | | | trans | -95 | 154.4 | -155.3 | -0.4 | 22.7 | 0 | 0 | 0 | 113.2 | H334 | P332-H334 PolarHBondContact O-N 3.33Š|
| 333 | F | 22.6 | Very low | 26.1 | Very low | 198 Ų | 198 | 157 Ų | 157 | 87% | 0.868 | 78% | 0.775 | S | S | * | * | | | trans | 4.1 | 106.6 | 150.1 | -79.4 | -97 | 0 | 0 | 0 | 117.1 | | |
| 334 | H | 27.1 | Very low | 25.9 | Very low | 174 Ų | 174 | 158 Ų | 158 | 81% | 0.806 | 78% | 0.775 | S | S | * | * | | | trans | -117 | 116.6 | 148.8 | -93.4 | -76.1 | 0 | 0 | 0 | 109.4 | P332 | P332-H334 PolarHBondContact O-N 3.33Š|
| 335 | Q | 24.7 | Very low | 26.1 | Very low | 168 Ų | 168 | 159.5 Ų | 159.5 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | | | trans | -100.7 | 72.7 | -176.1 | -168.4 | -179.2 | 33.3 | 0 | 0 | 107.5 | Q337 | Q335-Q337 PolarHBondContact O-N 2.96Š|
| 336 | D | 28.2 | Very low | 25.9 | Very low | 137 Ų | 137 | 158.3 Ų | 158.3 | 73% | 0.733 | 77% | 0.767 | S | S | * | * | | | trans | -90.9 | 103 | 176.6 | -77.2 | -34.6 | 0 | 0 | 0 | 110.6 | V338 | D336-V338 PolarHBondContact O-N 3.46Š|
| 337 | Q | 25.6 | Very low | 25.9 | Very low | 162 Ų | 162 | 161.2 Ų | 161.2 | 76% | 0.757 | 77% | 0.769 | S | S | * | * | | | trans | -63.7 | 106.7 | 163.6 | -66.6 | -179.3 | 22.1 | 0 | 0 | 109.2 | Q335 | Q335-Q337 PolarHBondContact O-N 2.96Š|
| 338 | V | 29.3 | Very low | 25.7 | Very low | 113 Ų | 113 | 161.8 Ų | 161.8 | 69% | 0.685 | 77% | 0.769 | S | S | * | * | | | trans | -116.9 | 94.5 | 160.9 | -175 | 0 | 0 | 0 | 0 | 108.6 | D336 Q340 | D336-V338 PolarHBondContact O-N 3.46Å; V338-Q340 HydrophobicContact CG1-CG 4.01Å; V338-Q340 PolarHBondContact O-N 3.13Å |
| 339 | K | 24.6 | Very low | 25.8 | Very low | 190 Ų | 190 | 163.3 Ų | 163.3 | 83% | 0.826 | 78% | 0.783 | S | S | * | * | | | trans | -66 | 106.5 | 159.6 | -72.9 | 175 | 176.2 | 176 | 0 | 108 | | |
| 340 | Q | 27.6 | Very low | 25.9 | Very low | 173 Ų | 173 | 162.1 Ų | 162.1 | 81% | 0.808 | 78% | 0.782 | S | S | * | * | | | trans | -129.9 | 106.8 | 159.4 | -79 | -165.1 | 5.4 | 0 | 0 | 111.3 | V338 | V338-Q340 HydrophobicContact CG1-CG 4.01Å; V338-Q340 PolarHBondContact O-N 3.13Å |
| 341 | H | 24.3 | Very low | 25.8 | Very low | 168 Ų | 168 | 157.2 Ų | 157.2 | 78% | 0.778 | 78% | 0.775 | S | S | * | * | | | trans | 8.7 | 123 | 148.3 | -76.8 | 82.2 | 0 | 0 | 0 | 119.7 | | |
| 342 | Q | 21.9 | Very low | 25.8 | Very low | 171 Ų | 171 | 155.7 Ų | 155.7 | 80% | 0.799 | 77% | 0.772 | S | S | * | * | | | | 32.6 | 108.7 | 123.6 | -75.3 | 177.1 | -0.9 | 0 | 0 | 117.4 | | |
| 343 | Q | 24.7 | Very low | 25.9 | Very low | 194 Ų | 194 | 160.1 Ų | 160.1 | 91% | 0.907 | 78% | 0.781 | S | S | * | * | | | | -156.3 | 95.9 | 129.6 | -105.8 | 164.5 | 68.6 | 0 | 0 | 107.7 | P345 | Q343-P345 WeakPolarHBondContact O-CD 3.25Š|
| 344 | Q | 23.2 | Very low | 26.2 | Very low | 179 Ų | 179 | 155.3 Ų | 155.3 | 84% | 0.836 | 77% | 0.768 | S | S | * | * | | | trans | -77.3 | 118 | 162.7 | -82.1 | -176 | -7.5 | 0 | 0 | 107.6 | Q346 | Q344-Q346 PolarHBondContact O-N 3Å; Q344-Q346 VanDerWaalsContact O-N 3.16Å |
| 345 | P | 30.3 | Very low | 26.2 | Very low | 99 Ų | 99 | 155.1 Ų | 155.1 | 64% | 0.643 | 77% | 0.767 | S | S | * | * | | | trans | -77.7 | 98.8 | 164.7 | -5.2 | 24.1 | 0 | 0 | 0 | 107.3 | Q343 Y347 | Q343-P345 WeakPolarHBondContact O-CD 3.25Å; P345-Y347 VanDerWaalsContact C-N 3.3Å; P345-Y347 HydrophobicContact CB-CD2 3.95Å; P345-Y347 HydrophobicContact CB-CE2 3.65Å; P345-Y347 PolarHBondContact O-N 3.32Å |
| 346 | Q | 24.4 | Very low | 26.3 | Very low | 152 Ų | 152 | 155 Ų | 155 | 71% | 0.71 | 77% | 0.766 | S | S | * | * | | | trans | -64.7 | 94.5 | 160 | -86 | -129.5 | -24.5 | 0 | 0 | 108 | Q344 Q348 | Q344-Q346 PolarHBondContact O-N 3Å; Q344-Q346 VanDerWaalsContact O-N 3.16Å; Q346-Q348 VanDerWaalsContact C-N 3.32Å; Q346-Q348 PolarHBondContact O-N 2.93Å; Q346-Q348 VanDerWaalsContact O-N 3.14Å |
| 347 | Y | 26.8 | Very low | 26.2 | Very low | 205 Ų | 205 | 154.8 Ų | 154.8 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | | | trans | -79.2 | 93.3 | 161 | -76.3 | -77.1 | 0 | 0 | 0 | 107.9 | P345 L349 | P345-Y347 VanDerWaalsContact C-N 3.3Å; P345-Y347 HydrophobicContact CB-CD2 3.95Å; P345-Y347 HydrophobicContact CB-CE2 3.65Å; P345-Y347 PolarHBondContact O-N 3.32Å; Y347-L349 PolarHBondContact O-N 3.4Å; Y347-L349 VanDerWaalsContact O-N 3.1Å |
| 348 | Q | 24.2 | Very low | 26.4 | Very low | 152 Ų | 152 | 152.6 Ų | 152.6 | 71% | 0.71 | 77% | 0.765 | S | S | * | * | | | trans | -65.4 | 101.3 | 168 | -140.2 | 148.6 | -0.8 | 0 | 0 | 107.3 | Q346 N350 | Q346-Q348 VanDerWaalsContact C-N 3.32Å; Q346-Q348 PolarHBondContact O-N 2.93Å; Q346-Q348 VanDerWaalsContact O-N 3.14Å; Q348-N350 PolarHBondContact O-N 3.42Å |
| 349 | L | 28.3 | Very low | 26.4 | Very low | 173 Ų | 173 | 152.5 Ų | 152.5 | 91% | 0.906 | 77% | 0.768 | S | S | * | * | | | trans | -69.8 | 84.1 | 169.7 | -78.1 | 165 | 0 | 0 | 0 | 107.8 | Y347 G351 | Y347-L349 PolarHBondContact O-N 3.4Å; Y347-L349 VanDerWaalsContact O-N 3.1Å; L349-G351 PolarHBondContact O-N 3.13Å; L349-G351 VanDerWaalsContact O-N 3.14Å |
| 350 | N | 26.5 | Very low | 26.6 | Very low | 150 Ų | 150 | 150.6 Ų | 150.6 | 80% | 0.802 | 77% | 0.766 | S | S | * | * | | | trans | -63.8 | 111.6 | 167.5 | -98.6 | -3.9 | 0 | 0 | 0 | 108.2 | Q348 N352 | Q348-N350 PolarHBondContact O-N 3.42Å; N350-N352 PolarHBondContact O-N 3.47Å |
| 351 | G | 23.4 | Very low | 26.6 | Very low | 55 Ų | 55 | 150 Ų | 150 | 57% | 0.567 | 77% | 0.767 | S | S | * | * | | | trans | -62.7 | 127.6 | 173 | 0 | 0 | 0 | 0 | 0 | 110.7 | L349 | L349-G351 PolarHBondContact O-N 3.13Å; L349-G351 VanDerWaalsContact O-N 3.14Å |
| 352 | N | 27.2 | Very low | 26.6 | Very low | 154 Ų | 154 | 149.6 Ų | 149.6 | 82% | 0.824 | 77% | 0.767 | S | S | * | * | | | trans | -123.7 | 86.2 | 145.4 | -85.7 | -17.4 | 0 | 0 | 0 | 105.7 | N350 V354 | N350-N352 PolarHBondContact O-N 3.47Å; N352-V354 HydrophobicContact CB-CG2 4.43Å; N352-V354 PolarHBondContact O-N 3.25Å |
| 353 | F | 28.5 | Very low | 26.9 | Very low | 195 Ų | 195 | 147.1 Ų | 147.1 | 86% | 0.855 | 77% | 0.766 | S | S | * | * | | | trans | -67.6 | 83 | 163.2 | -85.5 | -88.6 | 0 | 0 | 0 | 107.3 | H355 | F353-H355 PolarHBondContact O-N 3.38Å; F353-H355 VanDerWaalsContact O-N 3.15Å |
| 354 | V | 29.4 | Very low | 27.1 | Very low | 98 Ų | 98 | 144 Ų | 144 | 59% | 0.594 | 76% | 0.76 | S | S | * | * | | | trans | -74.4 | 102 | 164.8 | -179.5 | 0 | 0 | 0 | 0 | 105.5 | N352 H356 | N352-V354 HydrophobicContact CB-CG2 4.43Å; N352-V354 PolarHBondContact O-N 3.25Å; V354-H356 PolarHBondContact O-N 2.7Å |
| 355 | H | 26.9 | Very low | 27.2 | Very low | 169 Ų | 169 | 145.8 Ų | 145.8 | 78% | 0.782 | 76% | 0.761 | S | S | * | * | | | trans | -56.3 | 101.3 | 167.7 | -90.2 | -91.6 | 0 | 0 | 0 | 108.1 | F353 D357 | F353-H355 PolarHBondContact O-N 3.38Å; F353-H355 VanDerWaalsContact O-N 3.15Å; H355-D357 PolarHBondContact O-N 2.94Å |
| 356 | H | 27.5 | Very low | 27.1 | Very low | 166 Ų | 166 | 146.8 Ų | 146.8 | 77% | 0.769 | 77% | 0.765 | S | S | * | * | | | trans | -76.7 | 103.1 | 163.1 | -68.8 | -65 | 0 | 0 | 0 | 106.8 | V354 | V354-H356 PolarHBondContact O-N 2.7Š|
| 357 | D | 25.3 | Very low | 27.4 | Very low | 133 Ų | 133 | 143.4 Ų | 143.4 | 71% | 0.711 | 76% | 0.757 | S | S | * | * | | | trans | -55.2 | 130.1 | 164 | -78.7 | -34.7 | 0 | 0 | 0 | 108.1 | H355 C359 | H355-D357 PolarHBondContact O-N 2.94Å; D357-C359 VanDerWaalsContact C-N 3.31Å; D357-C359 PolarHBondContact O-N 2.95Å |
| 358 | P | 30.8 | Very low | 27.5 | Very low | 115 Ų | 115 | 138.5 Ų | 138.5 | 75% | 0.747 | 76% | 0.758 | S | S | * | * | | | trans | -66.7 | 94 | 178.4 | 26 | -31.6 | 0 | 0 | 0 | 108.3 | I360 | P358-I360 VanDerWaalsContact C-N 3.31Å; P358-I360 PolarHBondContact O-N 2.75Å |
| 359 | C | 28.4 | Very low | 27.7 | Very low | 111 Ų | 111 | 137.7 Ų | 137.7 | 75% | 0.75 | 76% | 0.759 | S | S | * | * | | | trans | -62.3 | 100.5 | 165 | -62.8 | 0 | 0 | 0 | 0 | 107 | D357 L361 | D357-C359 VanDerWaalsContact C-N 3.31Å; D357-C359 PolarHBondContact O-N 2.95Å; C359-L361 PolarHBondContact O-N 2.74Å |
| 360 | I | 29.4 | Very low | 27.8 | Very low | 151 Ų | 151 | 136.7 Ų | 136.7 | 77% | 0.774 | 76% | 0.755 | S | S | * | * | | | trans | -60.8 | 97 | 162.6 | -60.8 | 173.2 | 0 | 0 | 0 | 104.8 | P358 M362 | P358-I360 VanDerWaalsContact C-N 3.31Å; P358-I360 PolarHBondContact O-N 2.75Å; I360-M362 PolarHBondContact O-N 3Å |
| 361 | L | 27.8 | Very low | 28 | Very low | 161 Ų | 161 | 136.7 Ų | 136.7 | 84% | 0.843 | 75% | 0.753 | S | S | * | * | | | trans | -62.9 | 91.5 | 169.3 | -85.9 | 157.8 | 0 | 0 | 0 | 106.6 | C359 P363 | C359-L361 PolarHBondContact O-N 2.74Å; L361-P363 WeakPolarHBondContact O-CD 3.46Å |
| 362 | M | 24.7 | Very low | 28.3 | Very low | 158 Ų | 158 | 142.1 Ų | 142.1 | 78% | 0.778 | 76% | 0.764 | S | S | * | * | | | trans | -61.1 | 116.3 | 170.6 | -135.8 | 149.1 | 67.2 | 0 | 0 | 106 | I360 T364 | I360-M362 PolarHBondContact O-N 3Å; M362-T364 PolarHBondContact O-N 2.78Å |
| 363 | P | 27.8 | Very low | 28.3 | Very low | 119 Ų | 119 | 145.3 Ų | 145.3 | 77% | 0.773 | 77% | 0.765 | S | S | * | * | | | trans | -61.5 | 112.5 | -177.8 | 22.4 | -30.6 | 0 | 0 | 0 | 107.9 | L361 Y365 | L361-P363 WeakPolarHBondContact O-CD 3.46Å; P363-Y365 PolarHBondContact O-N 2.73Å |
| 364 | T | 27.5 | Very low | 28.3 | Very low | 129 Ų | 129 | 142.5 Ų | 142.5 | 79% | 0.791 | 76% | 0.757 | S | S | * | * | | | trans | -59.9 | 107.6 | 174.6 | -34 | 0 | 0 | 0 | 0 | 107.1 | M362 V366 | M362-T364 PolarHBondContact O-N 2.78Å; T364-V366 VanDerWaalsContact C-N 3.31Å; T364-V366 PolarHBondContact O-N 2.78Å |
| 365 | Y | 26.5 | Very low | 28.2 | Very low | 216 Ų | 216 | 144.9 Ų | 144.9 | 85% | 0.847 | 77% | 0.767 | S | S | * | * | | | trans | -63.9 | 93.8 | 174.3 | -167.9 | -96 | 0 | 0 | 0 | 107.4 | P363 P367 | P363-Y365 PolarHBondContact O-N 2.73Å; Y365-P367 VanDerWaalsContact O-CD 3.24Å; Y365-P367 WeakPolarHBondContact O-CD 3.41Å |
| 366 | V | 28.9 | Very low | 28.3 | Very low | 121 Ų | 121 | 141.9 Ų | 141.9 | 73% | 0.733 | 76% | 0.764 | S | S | * | * | | | trans | -81.7 | 111 | 170.4 | -179.3 | 0 | 0 | 0 | 0 | 106.2 | T364 A368 | T364-V366 VanDerWaalsContact C-N 3.31Å; T364-V366 PolarHBondContact O-N 2.78Å; V366-A368 PolarHBondContact O-N 2.79Å; V366-A368 VanDerWaalsContact O-N 3.16Å |
| 367 | P | 29.8 | Very low | 28.4 | Very low | 81 Ų | 81 | 138.7 Ų | 138.7 | 53% | 0.526 | 76% | 0.76 | S | S | . | * | | | trans | -61.3 | 121.6 | 176.9 | 23.4 | -30 | 0 | 0 | 0 | 108.5 | Y365 N369 | Y365-P367 VanDerWaalsContact O-CD 3.24Å; Y365-P367 WeakPolarHBondContact O-CD 3.41Å; P367-N369 PolarHBondContact O-N 2.74Å |
| 368 | A | 29.2 | Very low | 28.7 | Very low | 102 Ų | 102 | 141.3 Ų | 141.3 | 84% | 0.843 | 77% | 0.767 | S | S | * | * | | | trans | -68.9 | 69.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | V366 D370 | V366-A368 PolarHBondContact O-N 2.79Å; V366-A368 VanDerWaalsContact O-N 3.16Å; A368-D370 PolarHBondContact O-N 2.89Å |
| 369 | N | 28.1 | Very low | 28.6 | Very low | 135 Ų | 135 | 144.7 Ų | 144.7 | 72% | 0.722 | 77% | 0.773 | S | S | * | * | | | trans | -84.5 | 72.7 | 160.7 | -85.2 | -22.6 | 0 | 0 | 0 | 107.6 | P367 | P367-N369 PolarHBondContact O-N 2.74Š|
| 370 | D | 30.8 | Very low | 28.5 | Very low | 152 Ų | 152 | 150.1 Ų | 150.1 | 81% | 0.813 | 78% | 0.778 | S | S | * | * | | | trans | -137.4 | 89.9 | 156.7 | -89.7 | -36.5 | 0 | 0 | 0 | 108.7 | A368 Q372 | A368-D370 PolarHBondContact O-N 2.89Å; D370-Q372 PolarHBondContact O-N 2.93Å |
| 371 | L | 29.3 | Very low | 28.6 | Very low | 149 Ų | 149 | 149.6 Ų | 149.6 | 78% | 0.78 | 78% | 0.775 | S | S | * | * | | | trans | -58.2 | 74.7 | 167.2 | -70.1 | 159.4 | 0 | 0 | 0 | 110.1 | R373 | L371-R373 PolarHBondContact O-N 2.79Š|
| 372 | Q | 30.1 | Very low | 28.7 | Very low | 169 Ų | 169 | 151.9 Ų | 151.9 | 79% | 0.79 | 77% | 0.772 | S | S | * | * | | | trans | -74.9 | 89.2 | 158.4 | -73.8 | -165.5 | 0.5 | 0 | 0 | 107.8 | D370 I374 | D370-Q372 PolarHBondContact O-N 2.93Å; Q372-I374 PolarHBondContact O-N 2.81Å |
| 373 | R | 27.5 | Very low | 28.9 | Very low | 221 Ų | 221 | 152.3 Ų | 152.3 | 83% | 0.834 | 77% | 0.772 | S | S | * | * | | | trans | -56.1 | 84.3 | 164 | -67.4 | 177.7 | -173.3 | -103.7 | 1 | 108.4 | L371 N375 | L371-R373 PolarHBondContact O-N 2.79Å; R373-N375 PolarHBondContact O-N 3.12Å |
| 374 | I | 28.8 | Very low | 29 | Very low | 136 Ų | 136 | 156 Ų | 156 | 70% | 0.697 | 78% | 0.777 | S | S | * | * | | | trans | -71.9 | 106.5 | 164.4 | -59.3 | 178.1 | 0 | 0 | 0 | 105.3 | Q372 C376 | Q372-I374 PolarHBondContact O-N 2.81Å; I374-C376 PolarHBondContact O-N 2.74Å |
| 375 | N | 27.7 | Very low | 29.1 | Very low | 149 Ų | 149 | 155.1 Ų | 155.1 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | | | trans | -65.8 | 76 | 178.9 | -162 | -1.5 | 0 | 0 | 0 | 109 | R373 S377 | R373-N375 PolarHBondContact O-N 3.12Å; N375-S377 VanDerWaalsContact C-N 3.28Å; N375-S377 PolarHBondContact O-N 3.46Å |
| 376 | C | 27.5 | Very low | 29.2 | Very low | 106 Ų | 106 | 148.1 Ų | 148.1 | 72% | 0.716 | 77% | 0.769 | S | S | * | * | | | trans | -72.2 | 90.4 | 173 | -73.9 | 0 | 0 | 0 | 0 | 107.9 | I374 H378 | I374-C376 PolarHBondContact O-N 2.74Å; C376-H378 PolarHBondContact O-N 2.97Å; C376-H378 VanDerWaalsContact O-N 3.09Å |
| 377 | S | 29.3 | Very low | 29 | Very low | 98 Ų | 98 | 150.6 Ų | 150.6 | 69% | 0.685 | 77% | 0.773 | S | S | * | * | | | trans | -49.2 | 115.8 | 170.7 | 55.6 | 0 | 0 | 0 | 0 | 110.1 | N375 Q379 | N375-S377 VanDerWaalsContact C-N 3.28Å; N375-S377 PolarHBondContact O-N 3.46Å; S377-Q379 PolarHBondContact O-N 2.87Å |
| 378 | H | 32.2 | Very low | 28.9 | Very low | 189 Ų | 189 | 155.7 Ų | 155.7 | 88% | 0.875 | 79% | 0.789 | S | S | * | * | | | trans | -27.9 | 85.2 | 171.6 | -55.5 | 85.9 | 0 | 0 | 0 | 114.8 | C376 R380 | C376-H378 PolarHBondContact O-N 2.97Å; C376-H378 VanDerWaalsContact O-N 3.09Å; H378-R380 PolarHBondContact O-N 2.69Å; H378-R380 VanDerWaalsContact O-N 3.13Å |
| 379 | Q | 28.6 | Very low | 28.9 | Very low | 185 Ų | 185 | 156.9 Ų | 156.9 | 86% | 0.864 | 78% | 0.78 | S | S | * | * | | | trans | -81.9 | 95.3 | 166.4 | -151.3 | 162.1 | 35.9 | 0 | 0 | 106.8 | S377 I381 | S377-Q379 PolarHBondContact O-N 2.87Å; Q379-I381 PolarHBondContact O-N 2.72Å |
| 380 | R | 27.3 | Very low | 28.9 | Very low | 225 Ų | 225 | 157.8 Ų | 157.8 | 85% | 0.849 | 79% | 0.785 | S | S | * | * | | | trans | -53.7 | 96.1 | -179.4 | -173.6 | -177.8 | -76.5 | 170.8 | -5.2 | 110 | H378 R382 | H378-R380 PolarHBondContact O-N 2.69Å; H378-R380 VanDerWaalsContact O-N 3.13Å; R380-R382 PolarHBondContact O-N 2.73Å; R380-R382 VanDerWaalsContact O-N 3.1Å |
| 381 | I | 32 | Very low | 28.8 | Very low | 140 Ų | 140 | 158.4 Ų | 158.4 | 72% | 0.718 | 78% | 0.783 | S | S | * | * | | | trans | -66.1 | 106.9 | 169.7 | -62.1 | 171.6 | 0 | 0 | 0 | 106.1 | Q379 H383 | Q379-I381 PolarHBondContact O-N 2.72Å; I381-H383 PolarHBondContact O-CD2 2.82Å; I381-H383 PolarHBondContact O-N 2.88Å |
| 382 | R | 30 | Very low | 28.7 | Very low | 209 Ų | 209 | 159.4 Ų | 159.4 | 79% | 0.789 | 78% | 0.784 | S | S | * | * | | | trans | -74.5 | 104.5 | 174.2 | -79.6 | -174.3 | -95 | -131.5 | -2.5 | 107.9 | R380 F384 | R380-R382 PolarHBondContact O-N 2.73Å; R380-R382 VanDerWaalsContact O-N 3.1Å; R382-F384 PolarHBondContact O-N 2.77Å |
| 383 | H | 28.5 | Very low | 28.7 | Very low | 167 Ų | 167 | 156.4 Ų | 156.4 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | | | trans | -67.6 | 113.8 | 166.5 | -67.8 | -99.4 | 0 | 0 | 0 | 108 | I381 S385 | I381-H383 PolarHBondContact O-CD2 2.82Å; I381-H383 PolarHBondContact O-N 2.88Å; H383-S385 PolarHBondContact O-N 3.17Å |
| 384 | F | 29.2 | Very low | 28.7 | Very low | 198 Ų | 198 | 152.4 Ų | 152.4 | 87% | 0.868 | 77% | 0.772 | S | S | * | * | | | trans | -70.4 | 105.9 | 166.7 | -72.1 | -89 | 0 | 0 | 0 | 107.3 | R382 G386 | R382-F384 PolarHBondContact O-N 2.77Å; F384-G386 PolarHBondContact O-N 3.18Å |
| 385 | S | 30.3 | Very low | 28.8 | Very low | 109 Ų | 109 | 154.9 Ų | 154.9 | 76% | 0.762 | 78% | 0.779 | S | S | * | * | | | trans | -70.1 | 114.8 | 169.3 | 71.8 | 0 | 0 | 0 | 0 | 107.8 | H383 H387 | H383-S385 PolarHBondContact O-N 3.17Å; S385-H387 PolarHBondContact O-N 3.39Å |
| 386 | G | 27.5 | Very low | 28.7 | Very low | 70 Ų | 70 | 157.2 Ų | 157.2 | 72% | 0.722 | 78% | 0.778 | S | S | * | * | | | trans | -55.3 | 121.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | F384 Q388 | F384-G386 PolarHBondContact O-N 3.18Å; G386-Q388 PolarHBondContact O-N 2.94Å |
| 387 | H | 25.3 | Very low | 28.7 | Very low | 173 Ų | 173 | 159 Ų | 159 | 80% | 0.801 | 78% | 0.78 | S | S | * | * | | | trans | -59.2 | 120.6 | 163 | -100.6 | -1.4 | 0 | 0 | 0 | 108 | S385 I389 | S385-H387 PolarHBondContact O-N 3.39Å; H387-I389 VanDerWaalsContact C-N 3.29Å; H387-I389 PolarHBondContact O-N 3.3Å |
| 388 | Q | 28.1 | Very low | 28.4 | Very low | 187 Ų | 187 | 161 Ų | 161 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | | | trans | -64.2 | 92.5 | 165.3 | -77.3 | 174.9 | -24.6 | 0 | 0 | 107.7 | G386 N390 | G386-Q388 PolarHBondContact O-N 2.94Å; Q388-N390 PolarHBondContact O-N 3.32Å |
| 389 | I | 28.5 | Very low | 28.2 | Very low | 128 Ų | 128 | 162.7 Ų | 162.7 | 66% | 0.656 | 78% | 0.782 | S | S | * | * | | | trans | -76.1 | 108.2 | 167.2 | -53.1 | 175.4 | 0 | 0 | 0 | 105.2 | H387 E391 | H387-I389 VanDerWaalsContact C-N 3.29Å; H387-I389 PolarHBondContact O-N 3.3Å; I389-E391 HydrophobicContact CB-CG 4.33Å; I389-E391 HydrophobicContact CG2-CG 3.68Å; I389-E391 PolarHBondContact O-N 2.99Å |
| 390 | N | 28 | Very low | 28.2 | Very low | 154 Ų | 154 | 160.1 Ų | 160.1 | 82% | 0.824 | 77% | 0.774 | S | S | * | * | | | trans | -62.7 | 79.2 | 166.5 | -82.9 | -26.6 | 0 | 0 | 0 | 108.6 | Q388 Q392 | Q388-N390 PolarHBondContact O-N 3.32Å; N390-Q392 PolarHBondContact O-N 3.17Å |
| 391 | E | 29.2 | Very low | 28.1 | Very low | 165 Ų | 165 | 157.1 Ų | 157.1 | 77% | 0.771 | 78% | 0.775 | S | S | * | * | | | trans | -79.2 | 75.4 | 169.5 | -67.5 | -167.3 | 171.6 | 0 | 0 | 108.7 | I389 P393 | I389-E391 HydrophobicContact CB-CG 4.33Å; I389-E391 HydrophobicContact CG2-CG 3.68Å; I389-E391 PolarHBondContact O-N 2.99Å; E391-P393 WeakPolarHBondContact O-CD 3.4Å |
| 392 | Q | 27.9 | Very low | 27.8 | Very low | 170 Ų | 170 | 158.4 Ų | 158.4 | 79% | 0.794 | 78% | 0.782 | S | S | * | * | | | trans | -72.2 | 119.2 | 152.3 | -85.7 | -171.3 | -7 | 0 | 0 | 107.2 | N390 I394 | N390-Q392 PolarHBondContact O-N 3.17Å; Q392-I394 PolarHBondContact O-N 3.5Å |
| 393 | P | 29.2 | Very low | 27.7 | Very low | 105 Ų | 105 | 155.7 Ų | 155.7 | 68% | 0.682 | 78% | 0.782 | S | S | * | * | | | trans | -69.6 | 99.9 | -179.6 | 26.4 | -31.8 | 0 | 0 | 0 | 109.3 | E391 F395 | E391-P393 WeakPolarHBondContact O-CD 3.4Å; P393-F395 PolarHBondContact O-N 2.86Å; P393-F395 VanDerWaalsContact O-N 3.1Å |
| 394 | I | 28.4 | Very low | 27.6 | Very low | 137 Ų | 137 | 155.6 Ų | 155.6 | 70% | 0.703 | 78% | 0.784 | S | S | * | * | | | trans | -71.4 | 104 | 170 | -59 | 174.2 | 0 | 0 | 0 | 106.9 | Q392 Y396 | Q392-I394 PolarHBondContact O-N 3.5Å; I394-Y396 HydrophobicContact CG2-CD2 3.82Å; I394-Y396 HydrophobicContact CG2-CE2 3.84Å; I394-Y396 PolarHBondContact O-N 3.07Å |
| 395 | F | 29.9 | Very low | 27.4 | Very low | 189 Ų | 189 | 152.5 Ų | 152.5 | 83% | 0.829 | 79% | 0.788 | S | S | * | * | | | trans | -61.4 | 92.4 | 170.6 | -76.7 | -88.6 | 0 | 0 | 0 | 110.1 | P393 N397 | P393-F395 PolarHBondContact O-N 2.86Å; P393-F395 VanDerWaalsContact O-N 3.1Å; F395-N397 PolarHBondContact O-N 3.23Å |
| 396 | Y | 26.6 | Very low | 27.1 | Very low | 197 Ų | 197 | 149.4 Ų | 149.4 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | | | trans | -79.8 | 98.7 | 161.5 | -95.6 | -84.9 | 0 | 0 | 0 | 109.2 | I394 N398 | I394-Y396 HydrophobicContact CG2-CD2 3.82Å; I394-Y396 HydrophobicContact CG2-CE2 3.84Å; I394-Y396 PolarHBondContact O-N 3.07Å; Y396-N398 VanDerWaalsContact C-N 3.28Å; Y396-N398 PolarHBondContact O-N 3.17Å |
| 397 | N | 26 | Very low | 27 | Very low | 145 Ų | 145 | 156.8 Ų | 156.8 | 78% | 0.775 | 78% | 0.78 | S | S | * | * | | | trans | -59.8 | 87.4 | 160.3 | -93.2 | -40.3 | 0 | 0 | 0 | 109.4 | F395 R399 | F395-N397 PolarHBondContact O-N 3.23Å; N397-R399 VanDerWaalsContact C-N 3.34Å; N397-R399 PolarHBondContact O-N 2.95Å |
| 398 | N | 24.8 | Very low | 27.1 | Very low | 140 Ų | 140 | 155.5 Ų | 155.5 | 75% | 0.749 | 78% | 0.778 | S | S | * | * | | | trans | -93.6 | 71.1 | 171.8 | -124.4 | -19.9 | 0 | 0 | 0 | 109.8 | Y396 N400 | Y396-N398 VanDerWaalsContact C-N 3.28Å; Y396-N398 PolarHBondContact O-N 3.17Å; N398-N400 VanDerWaalsContact C-N 3.32Å; N398-N400 PolarHBondContact O-N 2.87Å |
| 399 | R | 26.9 | Very low | 27 | Very low | 224 Ų | 224 | 153.6 Ų | 153.6 | 85% | 0.845 | 77% | 0.774 | S | S | * | * | | | trans | -73.2 | 90.6 | 157.2 | -74.6 | -176.8 | -178.8 | 173 | 0.2 | 106.5 | N397 | N397-R399 VanDerWaalsContact C-N 3.34Å; N397-R399 PolarHBondContact O-N 2.95Å |
| 400 | N | 28.1 | Very low | 26.9 | Very low | 130 Ų | 130 | 155.8 Ų | 155.8 | 70% | 0.695 | 78% | 0.781 | S | S | * | * | | | trans | -177.4 | 79.3 | 159.6 | -87.7 | -22.1 | 0 | 0 | 0 | 109.2 | N398 | N398-N400 VanDerWaalsContact C-N 3.32Å; N398-N400 PolarHBondContact O-N 2.87Å |
| 401 | N | 26.2 | Very low | 27 | Very low | 162 Ų | 162 | 154.8 Ų | 154.8 | 87% | 0.866 | 78% | 0.776 | S | S | * | * | | | trans | -145.3 | 68.2 | 153.8 | -91.2 | -28.4 | 0 | 0 | 0 | 107.3 | L403 | N401-L403 PolarHBondContact O-N 2.81Š|
| 402 | L | 26.2 | Very low | 26.7 | Very low | 168 Ų | 168 | 155.7 Ų | 155.7 | 88% | 0.88 | 78% | 0.78 | S | S | * | * | | | trans | -80.3 | 90.2 | 155 | -90.4 | 105.7 | 0 | 0 | 0 | 106.9 | | |
| 403 | L | 26.9 | Very low | 26.8 | Very low | 151 Ų | 151 | 157.1 Ų | 157.1 | 79% | 0.791 | 78% | 0.784 | S | S | * | * | | | trans | -138.2 | 126.4 | 158.8 | -119.4 | 99.9 | 0 | 0 | 0 | 107.3 | N401 | N401-L403 PolarHBondContact O-N 2.81Š|
| 404 | M | 27 | Very low | 26.5 | Very low | 165 Ų | 165 | 159.2 Ų | 159.2 | 81% | 0.813 | 79% | 0.789 | S | S | * | * | | | trans | 78.7 | 65.3 | 177.5 | -64.9 | -64.3 | 98.4 | 0 | 0 | 117.3 | | |
| 405 | S | 25.1 | Very low | 26.2 | Very low | 134 Ų | 134 | 157.7 Ų | 157.7 | 94% | 0.937 | 79% | 0.791 | S | S | * | * | | | trans | -108.9 | 85.7 | 138.9 | -174.2 | 0 | 0 | 0 | 0 | 107.3 | | |
| 406 | G | 23.7 | Very low | 26.2 | Very low | 44 Ų | 44 | 153.8 Ų | 153.8 | 45% | 0.454 | 79% | 0.787 | S | S | . | * | | | trans | -127.2 | 130.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 407 | Y | 25.8 | Very low | 26 | Very low | 224 Ų | 224 | 154.7 Ų | 154.7 | 88% | 0.878 | 79% | 0.79 | S | S | * | * | S | Bend | trans | 95 | 112.3 | 162.6 | -61 | -78.7 | 0 | 0 | 0 | 118.9 | | |
| 408 | I | 26.8 | Very low | 26.1 | Very low | 146 Ų | 146 | 155.7 Ų | 155.7 | 75% | 0.749 | 80% | 0.796 | S | S | * | * | | | trans | 89.3 | 82.4 | 149.1 | -50.6 | 151.4 | 0 | 0 | 0 | 115.2 | | |
| 409 | N | 25.3 | Very low | 26.1 | Very low | 147 Ų | 147 | 156.1 Ų | 156.1 | 79% | 0.786 | 79% | 0.793 | S | S | * | * | | | trans | -128.9 | 81.1 | 148.1 | -140.6 | -12.3 | 0 | 0 | 0 | 107 | N411 | N409-N411 VanDerWaalsContact C-N 3.31Å; N409-N411 PolarHBondContact O-N 3.46Å; N409-N411 PolarHBondContact OD1-ND2 3.41Å |
| 410 | Q | 26.6 | Very low | 26.1 | Very low | 174 Ų | 174 | 153.4 Ų | 153.4 | 81% | 0.813 | 79% | 0.794 | S | S | * | * | | | trans | -79.9 | 84.7 | 167.5 | -82.3 | 177 | -15.9 | 0 | 0 | 107.4 | | |
| 411 | N | 29.9 | Very low | 26 | Very low | 133 Ų | 133 | 154.6 Ų | 154.6 | 71% | 0.711 | 80% | 0.796 | S | S | * | * | | | trans | -120.7 | 95 | 160.6 | -78.9 | -41.5 | 0 | 0 | 0 | 106.9 | N409 F413 | N409-N411 VanDerWaalsContact C-N 3.31Å; N409-N411 PolarHBondContact O-N 3.46Å; N409-N411 PolarHBondContact OD1-ND2 3.41Å; N411-F413 PolarHBondContact O-N 2.78Å |
| 412 | H | 23 | Very low | 26.1 | Very low | 185 Ų | 185 | 153.3 Ų | 153.3 | 86% | 0.856 | 79% | 0.794 | S | S | * | * | | | trans | -57.2 | 110.9 | 159.9 | -87.2 | -65.9 | 0 | 0 | 0 | 108.5 | | |
| 413 | F | 29.5 | Very low | 26.2 | Very low | 200 Ų | 200 | 151.2 Ų | 151.2 | 88% | 0.877 | 79% | 0.788 | S | S | * | * | | | trans | -150.4 | 146 | 145.8 | -91.1 | -68.5 | 0 | 0 | 0 | 109.4 | N411 | N411-F413 PolarHBondContact O-N 2.78Š|
| 414 | D | 24.8 | Very low | 26.1 | Very low | 148 Ų | 148 | 151.5 Ų | 151.5 | 79% | 0.791 | 79% | 0.791 | S | S | * | * | | | trans | -65.5 | 158.8 | -154.5 | -74.7 | -61.6 | 0 | 0 | 0 | 117.5 | | |
| 415 | S | 22 | Very low | 26.2 | Very low | 105 Ų | 105 | 151.5 Ų | 151.5 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | | | trans | -36.6 | 132.2 | 161.3 | 43.4 | 0 | 0 | 0 | 0 | 116.5 | | |
| 416 | S | 28.8 | Very low | 26.3 | Very low | 107 Ų | 107 | 152.3 Ų | 152.3 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | | | | -172.5 | 111.6 | 129 | 56.1 | 0 | 0 | 0 | 0 | 112 | | |
| 417 | Y | 22.8 | Very low | 26.3 | Very low | 216 Ų | 216 | 158.9 Ų | 158.9 | 85% | 0.847 | 80% | 0.802 | S | S | * | * | | | trans | 27.5 | 113 | 138.3 | -78.9 | -98.7 | 0 | 0 | 0 | 119.4 | | |
| 418 | N | 28.8 | Very low | 26.5 | Very low | 166 Ų | 166 | 158.6 Ų | 158.6 | 89% | 0.888 | 81% | 0.805 | S | S | * | * | | | | -160.9 | 127.5 | 118.2 | -98.7 | -37.6 | 0 | 0 | 0 | 111.7 | | |
| 419 | H | 23.9 | Very low | 26.3 | Very low | 150 Ų | 150 | 160.6 Ų | 160.6 | 69% | 0.694 | 81% | 0.812 | S | S | * | * | | | trans | -90.7 | 117.4 | -173.2 | -175.3 | 18.1 | 0 | 0 | 0 | 108.7 | | |
| 420 | L | 27.9 | Very low | 26.4 | Very low | 167 Ų | 167 | 159.6 Ų | 159.6 | 87% | 0.874 | 82% | 0.816 | S | S | * | * | | | trans | -125.3 | 106.6 | 167.1 | -100.3 | 149.1 | 0 | 0 | 0 | 108.7 | | |
| 421 | Q | 24.7 | Very low | 26.4 | Very low | 155 Ų | 155 | 156.4 Ų | 156.4 | 72% | 0.724 | 81% | 0.813 | S | S | * | * | | | trans | -92.6 | 119.6 | -178.5 | -166.1 | 178.9 | 40.2 | 0 | 0 | 107.5 | | |
| 422 | T | 28.7 | Very low | 26.2 | Very low | 135 Ų | 135 | 158.1 Ų | 158.1 | 83% | 0.828 | 82% | 0.817 | S | S | * | * | | | trans | -136.7 | 136.3 | 164.5 | 40.5 | 0 | 0 | 0 | 0 | 110.3 | | |
| 423 | T | 28.6 | Very low | 26.4 | Very low | 124 Ų | 124 | 155.9 Ų | 155.9 | 76% | 0.761 | 82% | 0.816 | S | S | * | * | | | trans | -88 | 141.9 | -151.6 | 29.3 | 0 | 0 | 0 | 0 | 113.9 | | |
| 424 | N | 23.8 | Very low | 26.2 | Very low | 157 Ų | 157 | 153.2 Ų | 153.2 | 84% | 0.84 | 81% | 0.811 | S | S | * | * | | | trans | -71.3 | 124.6 | 169.9 | -71.2 | -46.4 | 0 | 0 | 0 | 110.4 | | |
| 425 | N | 29 | Very low | 26.4 | Very low | 165 Ų | 165 | 155.7 Ų | 155.7 | 88% | 0.882 | 82% | 0.815 | S | S | * | * | | | trans | -106.2 | 137.3 | 166.8 | -94.4 | -35.9 | 0 | 0 | 0 | 111.2 | | |
| 426 | I | 27.8 | Very low | 26.4 | Very low | 150 Ų | 150 | 157.8 Ų | 157.8 | 77% | 0.769 | 82% | 0.816 | S | S | * | * | | | trans | -95.1 | 145.6 | -157.8 | -69.1 | 165.4 | 0 | 0 | 0 | 112.1 | | |
| 427 | K | 23.3 | Very low | 26.3 | Very low | 182 Ų | 182 | 160.5 Ų | 160.5 | 79% | 0.791 | 82% | 0.822 | S | S | * | * | | | trans | -15.4 | 139.4 | 158.2 | -67.7 | 170.5 | 173.3 | 175.2 | 0 | 117.9 | | |
| 428 | K | 30.1 | Very low | 26.3 | Very low | 218 Ų | 218 | 156.3 Ų | 156.3 | 95% | 0.948 | 81% | 0.814 | S | S | * | * | | | trans | -137.4 | 119.5 | 140.1 | -76.4 | -170.5 | 177.9 | 177.8 | 0 | 110.7 | | |
| 429 | Q | 24.2 | Very low | 26.1 | Very low | 189 Ų | 189 | 154.8 Ų | 154.8 | 88% | 0.883 | 81% | 0.806 | S | S | * | * | | | trans | -92 | 147.3 | 166.9 | -77.8 | 176.2 | -40.3 | 0 | 0 | 109 | | |
| 430 | S | 26.3 | Very low | 26.2 | Very low | 125 Ų | 125 | 154.8 Ų | 154.8 | 87% | 0.874 | 81% | 0.806 | S | S | * | * | | | trans | -143.7 | 140.7 | 161.4 | 63.7 | 0 | 0 | 0 | 0 | 111.1 | | |
| 431 | S | 27.6 | Very low | 26.1 | Very low | 107 Ų | 107 | 155.9 Ų | 155.9 | 75% | 0.748 | 81% | 0.806 | S | S | * | * | | | trans | -109.3 | 149.8 | -161.8 | -41.2 | 0 | 0 | 0 | 0 | 113.2 | | |
| 432 | Q | 24.8 | Very low | 26.2 | Very low | 170 Ų | 170 | 155 Ų | 155 | 79% | 0.794 | 81% | 0.811 | S | S | * | * | | | trans | 46.3 | 125 | 143 | -92.4 | 169.8 | -24.9 | 0 | 0 | 121.5 | | |
| 433 | T | 27.8 | Very low | 26 | Very low | 138 Ų | 138 | 156 Ų | 156 | 85% | 0.847 | 80% | 0.804 | S | S | * | * | | | trans | -148.9 | 105.9 | 148.3 | -3.8 | 0 | 0 | 0 | 0 | 110.3 | | |
| 434 | N | 24.7 | Very low | 25.7 | Very low | 144 Ų | 144 | 159.9 Ų | 159.9 | 77% | 0.77 | 81% | 0.806 | S | S | * | * | | | trans | -82.5 | 128 | 168.2 | -84.9 | -32.6 | 0 | 0 | 0 | 108.9 | | |
| 435 | K | 28.4 | Very low | 25.6 | Very low | 199 Ų | 199 | 163.5 Ų | 163.5 | 87% | 0.865 | 81% | 0.808 | S | S | * | * | | | trans | -124.9 | 113.3 | 162.8 | -85.3 | -174.9 | 177.1 | 178.2 | 0 | 109.5 | | |
| 436 | I | 22 | Very low | 25.4 | Very low | 149 Ų | 149 | 160 Ų | 160 | 76% | 0.764 | 80% | 0.797 | S | S | * | * | | | trans | -82.7 | 132.8 | 170.4 | -67.4 | 162.4 | 0 | 0 | 0 | 107.3 | | |
| 437 | L | 28.1 | Very low | 25.3 | Very low | 165 Ų | 165 | 159.1 Ų | 159.1 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | | | trans | -140 | 102.2 | 164.9 | -113.3 | 140.9 | 0 | 0 | 0 | 108.7 | | |
| 438 | N | 22.3 | Very low | 25.5 | Very low | 127 Ų | 127 | 156.1 Ų | 156.1 | 68% | 0.679 | 80% | 0.803 | S | S | * | * | | | trans | -67.6 | 147.5 | 161.9 | -90.4 | -28.1 | 0 | 0 | 0 | 109.5 | | |
| 439 | N | 24.3 | Very low | 25.1 | Very low | 135 Ų | 135 | 151.5 Ų | 151.5 | 72% | 0.722 | 80% | 0.798 | S | S | * | * | | | | 176.2 | 120.7 | 124.3 | -86.1 | -19.3 | 0 | 0 | 0 | 113.1 | | |
| 440 | H | 26.3 | Very low | 25.2 | Very low | 150 Ų | 150 | 147.6 Ų | 147.6 | 69% | 0.694 | 79% | 0.791 | S | S | * | * | | | trans | 43.1 | 114.1 | 137.5 | -58.6 | -68.6 | 0 | 0 | 0 | 121.3 | | |
| 441 | H | 25.4 | Very low | 25.1 | Very low | 190 Ų | 190 | 146.4 Ų | 146.4 | 88% | 0.88 | 78% | 0.783 | S | S | * | * | | | | -147.4 | 129.4 | 128.6 | -111.9 | 36.8 | 0 | 0 | 0 | 112.2 | | |
| 442 | V | 26.4 | Very low | 24.8 | Very low | 137 Ų | 137 | 147.6 Ų | 147.6 | 83% | 0.83 | 79% | 0.786 | S | S | * | * | | | trans | -90.6 | 149.5 | -169.8 | 169.8 | 0 | 0 | 0 | 0 | 110.2 | | |
| 443 | F | 24.6 | Very low | 24.9 | Very low | 156 Ų | 156 | 145.7 Ų | 145.7 | 68% | 0.684 | 79% | 0.791 | S | S | * | * | | | trans | -109.4 | 148.1 | -168.7 | -99.3 | -82.1 | 0 | 0 | 0 | 112.6 | | |
| 444 | Y | 22.2 | Very low | 24.4 | Very low | 205 Ų | 205 | 149.6 Ų | 149.6 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | | | trans | 68.9 | 138.9 | 161.3 | -61 | -68.1 | 0 | 0 | 0 | 117.6 | | |
| 445 | R | 21.7 | Very low | 24.4 | Very low | 232 Ų | 232 | 148.2 Ų | 148.2 | 88% | 0.875 | 79% | 0.789 | S | S | * | * | | | | -170 | 155.7 | 58.6 | -162.5 | -175.2 | -169 | -179 | 2.1 | 111.4 | | |
| 446 | S | 25.9 | Very low | 24.1 | Very low | 93 Ų | 93 | 143.5 Ų | 143.5 | 65% | 0.65 | 78% | 0.781 | S | S | * | * | | | trans | 101.4 | 106.8 | 151 | -53.2 | 0 | 0 | 0 | 0 | 118.3 | | |
| 447 | P | 24.6 | Very low | 24.4 | Very low | 131 Ų | 131 | 144.5 Ų | 144.5 | 85% | 0.851 | 78% | 0.783 | S | S | * | * | | | trans | -89.9 | 130.7 | 163.3 | 32.3 | -24.7 | 0 | 0 | 0 | 110.7 | | |
| 448 | S | 27.7 | Very low | 24.2 | Very low | 118 Ų | 118 | 142.9 Ų | 142.9 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | | | trans | -123.7 | 119.6 | 169 | -57.7 | 0 | 0 | 0 | 0 | 108.8 | | |
| 449 | S | 21.5 | Very low | 24.4 | Very low | 122 Ų | 122 | 145.6 Ų | 145.6 | 85% | 0.853 | 79% | 0.786 | S | S | * | * | | | trans | -87.6 | 130.5 | 178.4 | 41.2 | 0 | 0 | 0 | 0 | 111.8 | | |
| 450 | S | 27.5 | Very low | 24.4 | Very low | 106 Ų | 106 | 146.4 Ų | 146.4 | 74% | 0.741 | 79% | 0.79 | S | S | * | * | | | trans | -162 | 101.4 | 158.1 | 40.6 | 0 | 0 | 0 | 0 | 107.5 | | |
| 451 | S | 22.8 | Very low | 24.5 | Very low | 100 Ų | 100 | 144 Ų | 144 | 70% | 0.699 | 79% | 0.788 | S | S | * | * | | | | 65.5 | 100.3 | 92.4 | 70.1 | 0 | 0 | 0 | 0 | 114 | | |
| 452 | T | 21 | Very low | 24.5 | Very low | 132 Ų | 132 | 141.7 Ų | 141.7 | 81% | 0.81 | 78% | 0.782 | S | S | * | * | | | trans | 44.4 | 119.1 | 134.2 | 52.3 | 0 | 0 | 0 | 0 | 118.8 | | |
| 453 | S | 27.9 | Very low | 24.7 | Very low | 130 Ų | 130 | 141.8 Ų | 141.8 | 91% | 0.909 | 78% | 0.782 | S | S | * | * | | | trans | -160.4 | 147.9 | 131.6 | -80.7 | 0 | 0 | 0 | 0 | 111.2 | | |
| 454 | Y | 18.1 | Very low | 24.8 | Very low | 220 Ų | 220 | 142 Ų | 142 | 86% | 0.863 | 79% | 0.79 | S | S | * | * | | | trans | -86.5 | 176.1 | -161.8 | -123.8 | -108.7 | 0 | 0 | 0 | 112.9 | | |
| 455 | T | 23.2 | Very low | 25.1 | Very low | 116 Ų | 116 | 140.3 Ų | 140.3 | 71% | 0.712 | 79% | 0.789 | S | S | * | * | | | trans | 84.9 | 115.3 | 153.9 | 60.1 | 0 | 0 | 0 | 0 | 121.4 | | |
| 456 | S | 23.1 | Very low | 25.4 | Very low | 99 Ų | 99 | 138.2 Ų | 138.2 | 69% | 0.692 | 79% | 0.789 | S | S | * | * | | | trans | 56 | 117.4 | 135.9 | 59.5 | 0 | 0 | 0 | 0 | 119.7 | | |
| 457 | Q | 27.4 | Very low | 25.4 | Very low | 170 Ų | 170 | 139.5 Ų | 139.5 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | | | | -171.8 | 126.2 | 94.2 | -94.3 | -176.9 | 28.3 | 0 | 0 | 110.7 | | |
| 458 | T | 23.5 | Very low | 25.7 | Very low | 132 Ų | 132 | 138.9 Ų | 138.9 | 81% | 0.81 | 79% | 0.789 | S | S | * | * | | | trans | -37.1 | 128.6 | 155.4 | 41.1 | 0 | 0 | 0 | 0 | 113.3 | | |
| 459 | K | 26.7 | Very low | 25.8 | Very low | 184 Ų | 184 | 138.3 Ų | 138.3 | 80% | 0.8 | 79% | 0.785 | S | S | * | * | | | trans | -154.3 | 116.2 | 150.1 | -109.2 | 169.2 | -168.1 | -179.6 | 0 | 112.2 | | |
| 460 | N | 25.6 | Very low | 26 | Very low | 152 Ų | 152 | 136.4 Ų | 136.4 | 81% | 0.813 | 78% | 0.776 | S | S | * | * | | | trans | 82.8 | 125.5 | 152.2 | -70.3 | -21.5 | 0 | 0 | 0 | 122.1 | | |
| 461 | P | 28.1 | Very low | 26.1 | Very low | 100 Ų | 100 | 141.5 Ų | 141.5 | 65% | 0.649 | 78% | 0.781 | S | S | * | * | | | trans | -96.4 | 176 | 178.9 | 41.8 | -35.6 | 0 | 0 | 0 | 112.3 | | |
| 462 | N | 25.1 | Very low | 26.4 | Very low | 140 Ų | 140 | 146.3 Ų | 146.3 | 75% | 0.749 | 79% | 0.789 | S | S | * | * | | | trans | 76.5 | 74.1 | 156 | -59.7 | -20.5 | 0 | 0 | 0 | 117.2 | | |
| 463 | V | 29.6 | Very low | 26.7 | Very low | 139 Ų | 139 | 150.5 Ų | 150.5 | 84% | 0.842 | 79% | 0.792 | S | S | * | * | | | trans | -109.5 | 88.4 | 142.7 | -176.3 | 0 | 0 | 0 | 0 | 106.4 | E465 | V463-E465 PolarHBondContact O-N 2.93Š|
| 464 | L | 28.1 | Very low | 26.8 | Very low | 161 Ų | 161 | 149.3 Ų | 149.3 | 84% | 0.843 | 78% | 0.784 | S | S | * | * | | | trans | -85.5 | 96.2 | 171.4 | -146.4 | 85.6 | 0 | 0 | 0 | 106.4 | H466 | L464-H466 PolarHBondContact O-N 3.4Š|
| 465 | E | 27.5 | Very low | 27.4 | Very low | 169 Ų | 169 | 146.8 Ų | 146.8 | 79% | 0.79 | 78% | 0.784 | S | S | * | * | | | trans | -67.3 | 118.5 | 171 | -90.1 | -173.5 | 151 | 0 | 0 | 109.5 | V463 V467 | V463-E465 PolarHBondContact O-N 2.93Å; E465-V467 PolarHBondContact O-N 2.85Å; E465-V467 VanDerWaalsContact O-N 3.13Å |
| 466 | H | 27.6 | Very low | 27.8 | Very low | 189 Ų | 189 | 149.8 Ų | 149.8 | 88% | 0.875 | 79% | 0.79 | S | S | * | * | | | trans | -64.1 | 103.9 | 171.8 | -96.4 | -66.4 | 0 | 0 | 0 | 110.3 | L464 | L464-H466 PolarHBondContact O-N 3.4Š|
| 467 | V | 27.3 | Very low | 28 | Very low | 120 Ų | 120 | 155.7 Ų | 155.7 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | | | trans | -90.6 | 127.7 | 163.7 | -177.7 | 0 | 0 | 0 | 0 | 108.5 | E465 S469 | E465-V467 PolarHBondContact O-N 2.85Å; E465-V467 VanDerWaalsContact O-N 3.13Å; V467-S469 PolarHBondContact O-N 2.68Å |
| 468 | P | 31 | Very low | 28 | Very low | 118 Ų | 118 | 157.9 Ų | 157.9 | 77% | 0.766 | 80% | 0.798 | S | S | * | * | | | trans | -62.1 | 129.7 | -175.3 | -19.9 | 31 | 0 | 0 | 0 | 112.3 | A470 | P468-A470 PolarHBondContact O-N 2.73Å; P468-A470 VanDerWaalsContact O-N 3.13Å |
| 469 | S | 28.1 | Very low | 28.3 | Very low | 106 Ų | 106 | 158.6 Ų | 158.6 | 74% | 0.741 | 80% | 0.797 | S | S | * | * | | | trans | -59.8 | 109.7 | 178.4 | -50.4 | 0 | 0 | 0 | 0 | 111.3 | V467 Y471 | V467-S469 PolarHBondContact O-N 2.68Å; S469-Y471 PolarHBondContact O-N 2.9Å |
| 470 | A | 27.6 | Very low | 28.5 | Very low | 82 Ų | 82 | 158.2 Ų | 158.2 | 68% | 0.678 | 80% | 0.798 | S | S | * | * | | | trans | -67.4 | 116.7 | 165.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | P468 F472 | P468-A470 PolarHBondContact O-N 2.73Å; P468-A470 VanDerWaalsContact O-N 3.13Å; A470-F472 PolarHBondContact O-N 2.77Å; A470-F472 VanDerWaalsContact O-N 3.09Å |
| 471 | Y | 28.9 | Very low | 28.7 | Very low | 212 Ų | 212 | 155.8 Ų | 155.8 | 83% | 0.831 | 79% | 0.793 | S | S | * | * | | | trans | -61.2 | 106.5 | 177.5 | -73.1 | -95.6 | 0 | 0 | 0 | 110.4 | S469 Y473 | S469-Y471 PolarHBondContact O-N 2.9Å; Y471-Y473 PolarHBondContact O-N 3.19Å |
| 472 | F | 28.5 | Very low | 28.6 | Very low | 201 Ų | 201 | 156.7 Ų | 156.7 | 88% | 0.882 | 80% | 0.801 | S | S | * | * | | | trans | -74.3 | 103.6 | 167.8 | -80.6 | -87.7 | 0 | 0 | 0 | 109 | A470 S474 | A470-F472 PolarHBondContact O-N 2.77Å; A470-F472 VanDerWaalsContact O-N 3.09Å; F472-S474 PolarHBondContact O-N 2.83Å; F472-S474 VanDerWaalsContact O-N 3.08Å |
| 473 | Y | 27.1 | Very low | 28.9 | Very low | 220 Ų | 220 | 154.5 Ų | 154.5 | 86% | 0.863 | 80% | 0.797 | S | S | * | * | | | trans | -68.5 | 97.7 | 162.3 | -79.3 | -87.8 | 0 | 0 | 0 | 108.6 | Y471 L475 | Y471-Y473 PolarHBondContact O-N 3.19Å; Y473-L475 PolarHBondContact O-N 2.7Å |
| 474 | S | 31.5 | Very low | 28.6 | Very low | 106 Ų | 106 | 155.6 Ų | 155.6 | 74% | 0.741 | 80% | 0.798 | S | S | * | * | | | trans | -75.3 | 103.9 | 165.6 | 46.4 | 0 | 0 | 0 | 0 | 108.8 | F472 Q476 | F472-S474 PolarHBondContact O-N 2.83Å; F472-S474 VanDerWaalsContact O-N 3.08Å; S474-Q476 VanDerWaalsContact C-N 3.26Å; S474-Q476 PolarHBondContact O-N 2.89Å |
| 475 | L | 29.9 | Very low | 28.7 | Very low | 167 Ų | 167 | 153.7 Ų | 153.7 | 87% | 0.874 | 79% | 0.794 | S | S | * | * | | | trans | -65.5 | 89.6 | 166.2 | -84.6 | 155.2 | 0 | 0 | 0 | 108.5 | Y473 R477 | Y473-L475 PolarHBondContact O-N 2.7Å; L475-R477 PolarHBondContact O-N 2.92Å |
| 476 | Q | 31 | Very low | 28.8 | Very low | 178 Ų | 178 | 154.3 Ų | 154.3 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | | | trans | -66.6 | 97.4 | 176.1 | -166.5 | 164.3 | 11.2 | 0 | 0 | 109 | S474 R478 | S474-Q476 VanDerWaalsContact C-N 3.26Å; S474-Q476 PolarHBondContact O-N 2.89Å; Q476-R478 PolarHBondContact O-N 2.91Å |
| 477 | R | 27.8 | Very low | 28.7 | Very low | 223 Ų | 223 | 154.2 Ų | 154.2 | 84% | 0.842 | 79% | 0.793 | S | S | * | * | | | trans | -62 | 106.7 | 169.2 | -69.3 | -171.1 | -169.5 | -136.9 | 3.6 | 107.8 | L475 N479 | L475-R477 PolarHBondContact O-N 2.92Å; R477-N479 PolarHBondContact O-N 3.06Å |
| 478 | R | 28.2 | Very low | 28.9 | Very low | 216 Ų | 216 | 156.8 Ų | 156.8 | 82% | 0.815 | 80% | 0.797 | S | S | * | * | | | trans | -63.6 | 99.9 | 167.9 | -81.3 | -174.9 | -168.7 | 131.7 | 3.1 | 108.2 | Q476 H480 | Q476-R478 PolarHBondContact O-N 2.91Å; R478-H480 PolarHBondContact O-N 3.25Å |
| 479 | N | 28.6 | Very low | 28.5 | Very low | 148 Ų | 148 | 156.6 Ų | 156.6 | 79% | 0.791 | 80% | 0.799 | S | S | * | * | | | trans | -74.2 | 112.2 | 159.3 | -70.4 | -34.3 | 0 | 0 | 0 | 106.7 | R477 S481 | R477-N479 PolarHBondContact O-N 3.06Å; N479-S481 PolarHBondContact O-N 3.02Å |
| 480 | H | 31.6 | Very low | 28.5 | Very low | 176 Ų | 176 | 159.6 Ų | 159.6 | 82% | 0.815 | 80% | 0.799 | S | S | * | * | | | trans | -68.6 | 83.4 | 169.3 | -68.9 | -77.6 | 0 | 0 | 0 | 108.4 | R478 S482 | R478-H480 PolarHBondContact O-N 3.25Å; H480-S482 PolarHBondContact O-N 3.31Å |
| 481 | S | 29.5 | Very low | 28.4 | Very low | 101 Ų | 101 | 164 Ų | 164 | 71% | 0.706 | 81% | 0.805 | S | S | * | * | | | trans | -78.6 | 102.7 | 167.4 | 171.8 | 0 | 0 | 0 | 0 | 108.2 | N479 S483 | N479-S481 PolarHBondContact O-N 3.02Å; S481-S483 PolarHBondContact O-N 2.98Å |
| 482 | S | 26.5 | Very low | 28.4 | Very low | 118 Ų | 118 | 158.3 Ų | 158.3 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | | | trans | -65.1 | 108.1 | 163.9 | 52.8 | 0 | 0 | 0 | 0 | 109.6 | H480 | H480-S482 PolarHBondContact O-N 3.31Š|
| 483 | S | 30.4 | Very low | 28.5 | Very low | 94 Ų | 94 | 154.6 Ų | 154.6 | 66% | 0.657 | 80% | 0.798 | S | S | * | * | | | trans | -141.1 | 101.2 | 161.2 | 59.6 | 0 | 0 | 0 | 0 | 109.2 | S481 T485 | S481-S483 PolarHBondContact O-N 2.98Å; S483-T485 PolarHBondContact O-N 2.99Å |
| 484 | N | 24.3 | Very low | 28.4 | Very low | 162 Ų | 162 | 150.3 Ų | 150.3 | 87% | 0.866 | 80% | 0.799 | S | S | * | * | | | trans | -44.4 | 123.6 | 159.5 | -69 | -29.3 | 0 | 0 | 0 | 110 | | |
| 485 | T | 30 | Very low | 28.3 | Very low | 122 Ų | 122 | 150.2 Ų | 150.2 | 75% | 0.748 | 80% | 0.798 | S | S | * | * | | | trans | -170.7 | 126.4 | 139.4 | 24.9 | 0 | 0 | 0 | 0 | 110.5 | S483 | S483-T485 PolarHBondContact O-N 2.99Š|
| 486 | K | 29.2 | Very low | 28 | Very low | 182 Ų | 182 | 148.1 Ų | 148.1 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | | | trans | 73.3 | 91 | 148.1 | -64.4 | -179.5 | 177.3 | -177.7 | 0 | 117.6 | H488 | K486-H488 PolarHBondContact O-N 3.21Š|
| 487 | E | 26.2 | Very low | 28 | Very low | 186 Ų | 186 | 144.7 Ų | 144.7 | 87% | 0.869 | 79% | 0.788 | S | S | * | * | | | | 14.7 | 103.2 | 118.2 | -64.2 | 178.2 | 174.3 | 0 | 0 | 115.4 | | |
| 488 | H | 30.2 | Very low | 27.9 | Very low | 174 Ų | 174 | 141.2 Ų | 141.2 | 81% | 0.806 | 78% | 0.784 | S | S | * | * | | | trans | -131 | 105.6 | 141.3 | -90.4 | -67 | 0 | 0 | 0 | 107.7 | K486 | K486-H488 PolarHBondContact O-N 3.21Š|
| 489 | S | 23 | Very low | 27.9 | Very low | 115 Ų | 115 | 137.5 Ų | 137.5 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | | | trans | -80.5 | 118.6 | 167.4 | -161.5 | 0 | 0 | 0 | 0 | 107.3 | | |
| 490 | F | 28.7 | Very low | 27.8 | Very low | 169 Ų | 169 | 135.5 Ų | 135.5 | 74% | 0.741 | 78% | 0.783 | S | S | * | * | | | trans | -135.5 | 115.2 | 155.3 | -89.9 | -78.1 | 0 | 0 | 0 | 107.7 | | |
| 491 | E | 25.9 | Very low | 27.4 | Very low | 174 Ų | 174 | 131 Ų | 131 | 81% | 0.813 | 78% | 0.784 | S | S | * | * | | | trans | 9.2 | 148.1 | 140.4 | -61.7 | 170.4 | 149.5 | 0 | 0 | 117.4 | | |
| 492 | A | 28 | Very low | 27.3 | Very low | 93 Ų | 93 | 129.9 Ų | 129.9 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | | | cis | -174.7 | 159.1 | -15.8 | 0 | 0 | 0 | 0 | 0 | 103.5 | | |
| 493 | P | 30.9 | Very low | 27.3 | Very low | 122 Ų | 122 | 129.8 Ų | 129.8 | 79% | 0.792 | 79% | 0.788 | S | S | * | * | | | trans | -100.8 | 136.5 | -160.4 | 35.7 | -26.8 | 0 | 0 | 0 | 113 | | |
| 494 | C | 25.5 | Very low | 27.3 | Very low | 131 Ų | 131 | 133.4 Ų | 133.4 | 89% | 0.885 | 80% | 0.797 | S | S | * | * | | | trans | -171.2 | 137.3 | 161.2 | -96.5 | 0 | 0 | 0 | 0 | 105.2 | | |
| 495 | S | 29.7 | Very low | 27.5 | Very low | 103 Ų | 103 | 131.5 Ų | 131.5 | 72% | 0.72 | 79% | 0.791 | S | S | * | * | | | cis | -162.2 | 144.8 | 23.5 | 40.1 | 0 | 0 | 0 | 0 | 108 | | |
| 496 | V | 23.4 | Very low | 27.5 | Very low | 124 Ų | 124 | 130.4 Ų | 130.4 | 75% | 0.752 | 79% | 0.786 | S | S | * | * | | | trans | -77.2 | 117.3 | 171 | 170.8 | 0 | 0 | 0 | 0 | 107.9 | I498 | V496-I498 HydrophobicContact CG1-CD1 3.73Å; V496-I498 HydrophobicContact CG1-CG1 3.67Å |
| 497 | S | 30.8 | Very low | 27.5 | Very low | 105 Ų | 105 | 131.2 Ų | 131.2 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | | | trans | -111.5 | 89.1 | 167.8 | -66.4 | 0 | 0 | 0 | 0 | 108.8 | V499 | S497-V499 PolarHBondContact O-N 2.8Š|
| 498 | I | 24.3 | Very low | 27.5 | Very low | 150 Ų | 150 | 129.9 Ų | 129.9 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | | | trans | -75.7 | 106.1 | 164.9 | -65.8 | 158.1 | 0 | 0 | 0 | 106.2 | V496 | V496-I498 HydrophobicContact CG1-CD1 3.73Å; V496-I498 HydrophobicContact CG1-CG1 3.67Å |
| 499 | V | 29.9 | Very low | 27.5 | Very low | 138 Ų | 138 | 127.2 Ų | 127.2 | 84% | 0.836 | 78% | 0.783 | S | S | * | * | | | trans | -101.8 | 111.9 | 165.9 | 180 | 0 | 0 | 0 | 0 | 108 | S497 | S497-V499 PolarHBondContact O-N 2.8Š|
| 500 | S | 26.6 | Very low | 27.7 | Very low | 107 Ų | 107 | 128.5 Ų | 128.5 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | | | trans | -67.5 | 139.1 | 177.3 | 177.2 | 0 | 0 | 0 | 0 | 112.2 | | |
| 501 | G | 23.3 | Very low | 28 | Very low | 81 Ų | 81 | 126.2 Ų | 126.2 | 84% | 0.835 | 78% | 0.783 | S | S | * | * | | | trans | 56.2 | 104.3 | 137.4 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 502 | G | 26.3 | Very low | 28.1 | Very low | 78 Ų | 78 | 123.2 Ų | 123.2 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | | | trans | -147.9 | 86.6 | 161.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 503 | S | 26.4 | Very low | 28.3 | Very low | 116 Ų | 116 | 124.8 Ų | 124.8 | 81% | 0.811 | 78% | 0.783 | S | S | * | * | | | trans | -89.4 | 107.2 | 167.6 | 68.9 | 0 | 0 | 0 | 0 | 109.2 | | |
| 504 | M | 31.1 | Very low | 28.3 | Very low | 170 Ų | 170 | 130.5 Ų | 130.5 | 84% | 0.837 | 79% | 0.789 | S | S | * | * | | | trans | -135.6 | 90.1 | 168.4 | -70.8 | -87.1 | 41.8 | 0 | 0 | 110 | | |
| 505 | T | 27.3 | Very low | 28.4 | Very low | 122 Ų | 122 | 129.8 Ų | 129.8 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | | | trans | -70.8 | 142.6 | 143.5 | 52.7 | 0 | 0 | 0 | 0 | 106.9 | | |
| 506 | P | 30.9 | Very low | 28.2 | Very low | 98 Ų | 98 | 131 Ų | 131 | 64% | 0.636 | 78% | 0.784 | S | S | * | * | | | cis | -157.1 | 132.3 | 48.8 | 36.3 | -13.6 | 0 | 0 | 0 | 115.7 | | |
| 507 | F | 28.4 | Very low | 28.6 | Very low | 200 Ų | 200 | 130.9 Ų | 130.9 | 88% | 0.877 | 78% | 0.783 | S | S | * | * | | | trans | -146.6 | 104.8 | 155.8 | -79.9 | -71.9 | 0 | 0 | 0 | 111.9 | V509 | F507-V509 HydrophobicContact CB-CG2 4.42Å; F507-V509 PolarHBondContact O-N 2.72Å |
| 508 | I | 27.1 | Very low | 28.3 | Very low | 158 Ų | 158 | 132.2 Ų | 132.2 | 81% | 0.81 | 79% | 0.787 | S | S | * | * | | | trans | -78.4 | 105 | 162.1 | -62.6 | 170 | 0 | 0 | 0 | 105.8 | | |
| 509 | V | 29.9 | Very low | 28.5 | Very low | 117 Ų | 117 | 130.2 Ų | 130.2 | 71% | 0.709 | 78% | 0.782 | S | S | * | * | | | trans | -104.9 | 104.9 | 167.4 | -176.9 | 0 | 0 | 0 | 0 | 106.5 | F507 P511 | F507-V509 HydrophobicContact CB-CG2 4.42Å; F507-V509 PolarHBondContact O-N 2.72Å; V509-P511 VanDerWaalsContact O-CD 3.25Å; V509-P511 WeakPolarHBondContact O-CD 3.28Å |
| 510 | N | 26.9 | Very low | 28.2 | Very low | 142 Ų | 142 | 129.1 Ų | 129.1 | 76% | 0.759 | 78% | 0.781 | S | S | * | * | | | trans | -76.7 | 115 | 169.3 | -81.5 | -16.6 | 0 | 0 | 0 | 109.2 | | |
| 511 | P | 34.6 | Very low | 28.4 | Very low | 121 Ų | 121 | 129.4 Ų | 129.4 | 79% | 0.786 | 78% | 0.778 | S | S | * | * | | | trans | -86.4 | 124.1 | 162.8 | 1.6 | 19.9 | 0 | 0 | 0 | 108.7 | V509 | V509-P511 VanDerWaalsContact O-CD 3.25Å; V509-P511 WeakPolarHBondContact O-CD 3.28Å |
| 512 | S | 29.5 | Very low | 28.4 | Very low | 112 Ų | 112 | 132.6 Ų | 132.6 | 78% | 0.783 | 78% | 0.781 | S | S | * | * | | | trans | -54.3 | 156.9 | 173 | -96.5 | 0 | 0 | 0 | 0 | 114 | R514 | S512-R514 PolarHBondContact O-N 2.71Š|
| 513 | P | 30.5 | Very low | 28.5 | Very low | 125 Ų | 125 | 133.9 Ų | 133.9 | 81% | 0.812 | 78% | 0.778 | S | S | * | * | | | trans | -73.3 | 114 | -169.8 | 29.2 | -33.5 | 0 | 0 | 0 | 111.7 | V515 | P513-V515 PolarHBondContact O-N 2.92Š|
| 514 | R | 31 | Very low | 28.6 | Very low | 242 Ų | 242 | 134.4 Ų | 134.4 | 91% | 0.913 | 78% | 0.777 | S | S | * | * | | | trans | -89 | 103.1 | 170 | -167.3 | 172 | -172.3 | 174.3 | 1.8 | 109.8 | S512 | S512-R514 PolarHBondContact O-N 2.71Š|
| 515 | V | 29.6 | Very low | 28.5 | Very low | 116 Ų | 116 | 133.1 Ų | 133.1 | 70% | 0.703 | 77% | 0.773 | S | S | * | * | | | trans | 15.6 | 119.6 | 147.6 | -173.3 | 0 | 0 | 0 | 0 | 116.9 | P513 T517 | P513-V515 PolarHBondContact O-N 2.92Å; V515-T517 PolarHBondContact O-N 3.11Å |
| 516 | T | 25.3 | Very low | 28.7 | Very low | 129 Ų | 129 | 135 Ų | 135 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | | | trans | -39.3 | 115.9 | 162.5 | -12.6 | 0 | 0 | 0 | 0 | 112.8 | | |
| 517 | T | 30.4 | Very low | 28.7 | Very low | 121 Ų | 121 | 137.5 Ų | 137.5 | 74% | 0.742 | 78% | 0.783 | S | S | * | * | | | trans | -118.4 | 97.6 | 157.4 | -39.7 | 0 | 0 | 0 | 0 | 107.9 | V515 T519 | V515-T517 PolarHBondContact O-N 3.11Å; T517-T519 PolarHBondContact O-N 2.99Å |
| 518 | T | 24.9 | Very low | 28.8 | Very low | 133 Ų | 133 | 131.7 Ų | 131.7 | 82% | 0.816 | 77% | 0.768 | S | S | * | * | | | trans | -65.3 | 103.2 | 163.5 | 25.5 | 0 | 0 | 0 | 0 | 108.8 | | |
| 519 | T | 28.4 | Very low | 29 | Very low | 108 Ų | 108 | 130.8 Ų | 130.8 | 66% | 0.663 | 77% | 0.77 | S | S | * | * | | | trans | -131.8 | 99.5 | 156.8 | -13.9 | 0 | 0 | 0 | 0 | 107.8 | T517 T521 | T517-T519 PolarHBondContact O-N 2.99Å; T519-T521 PolarHBondContact O-N 3.2Å; T519-T521 VanDerWaalsContact O-N 3.16Å |
| 520 | S | 24.6 | Very low | 29.1 | Very low | 116 Ų | 116 | 132.5 Ų | 132.5 | 81% | 0.811 | 77% | 0.774 | S | S | * | * | | | trans | -59.9 | 107.4 | 167.1 | 50.6 | 0 | 0 | 0 | 0 | 108.7 | | |
| 521 | T | 29.2 | Very low | 29.2 | Very low | 113 Ų | 113 | 130.7 Ų | 130.7 | 69% | 0.693 | 77% | 0.772 | S | S | * | * | | | trans | -135.5 | 102.7 | 161.6 | -23 | 0 | 0 | 0 | 0 | 108.4 | T519 S523 | T519-T521 PolarHBondContact O-N 3.2Å; T519-T521 VanDerWaalsContact O-N 3.16Å; T521-S523 VanDerWaalsContact C-N 3.32Å; T521-S523 PolarHBondContact O-N 3.4Å; T521-S523 PolarHBondContact O-OG 2.97Å |
| 522 | T | 25.1 | Very low | 29 | Very low | 147 Ų | 147 | 130.5 Ų | 130.5 | 90% | 0.902 | 77% | 0.774 | S | S | * | * | | | trans | -45.8 | 83.8 | 176.9 | -24.3 | 0 | 0 | 0 | 0 | 110.9 | | |
| 523 | S | 27.6 | Very low | 29.2 | Very low | 106 Ų | 106 | 132.2 Ų | 132.2 | 74% | 0.741 | 77% | 0.773 | S | S | * | * | | | trans | -96.2 | 102.9 | 171.2 | 31.3 | 0 | 0 | 0 | 0 | 107.8 | T521 N525 | T521-S523 VanDerWaalsContact C-N 3.32Å; T521-S523 PolarHBondContact O-N 3.4Å; T521-S523 PolarHBondContact O-OG 2.97Å; S523-N525 PolarHBondContact O-N 3.41Å; S523-N525 VanDerWaalsContact O-N 3.14Å |
| 524 | T | 27.5 | Very low | 29.2 | Very low | 126 Ų | 126 | 129.8 Ų | 129.8 | 77% | 0.773 | 76% | 0.764 | S | S | * | * | | | trans | -21.3 | 103.6 | 161.1 | 38.9 | 0 | 0 | 0 | 0 | 114.6 | I526 | T524-I526 PolarHBondContact O-N 3.44Š|
| 525 | N | 30.5 | Very low | 29.4 | Very low | 144 Ų | 144 | 123.7 Ų | 123.7 | 77% | 0.77 | 76% | 0.755 | S | S | * | * | | | trans | 31.1 | 74.4 | 132.7 | -62.6 | -19.8 | 0 | 0 | 0 | 116.2 | S523 I527 | S523-N525 PolarHBondContact O-N 3.41Å; S523-N525 VanDerWaalsContact O-N 3.14Å; N525-I527 VanDerWaalsContact C-N 3.28Å; N525-I527 HydrophobicContact CB-CG1 4.35Å; N525-I527 PolarHBondContact O-N 3.44Å; N525-I527 VanDerWaalsContact O-N 3.15Å |
| 526 | I | 30.4 | Very low | 29.9 | Very low | 160 Ų | 160 | 123.8 Ų | 123.8 | 82% | 0.821 | 76% | 0.758 | S | S | * | * | | | trans | -72.4 | 97 | 145.9 | -61.1 | 174 | 0 | 0 | 0 | 105 | T524 S528 | T524-I526 PolarHBondContact O-N 3.44Å; I526-S528 PolarHBondContact O-N 2.94Å |
| 527 | I | 31.2 | Very low | 30.2 | Very low | 151 Ų | 151 | 125.1 Ų | 125.1 | 77% | 0.774 | 76% | 0.759 | S | S | * | * | | | trans | -69.2 | 87.4 | 169 | -61.6 | 174.5 | 0 | 0 | 0 | 105.7 | N525 T529 | N525-I527 VanDerWaalsContact C-N 3.28Å; N525-I527 HydrophobicContact CB-CG1 4.35Å; N525-I527 PolarHBondContact O-N 3.44Å; N525-I527 VanDerWaalsContact O-N 3.15Å; I527-T529 PolarHBondContact O-N 3.3Å |
| 528 | S | 30.6 | Very low | 30.5 | Very low | 78 Ų | 78 | 124.3 Ų | 124.3 | 55% | 0.545 | 76% | 0.756 | S | S | . | * | | | trans | -57.1 | 129.4 | 160.8 | 35 | 0 | 0 | 0 | 0 | 107.8 | I526 L530 | I526-S528 PolarHBondContact O-N 2.94Å; S528-L530 PolarHBondContact O-N 3.49Å |
| 529 | T | 31.7 | Very low | 31.2 | Very low | 139 Ų | 139 | 123.3 Ų | 123.3 | 85% | 0.853 | 75% | 0.752 | S | S | * | * | | | trans | -55.1 | 76.3 | 171.5 | 38.9 | 0 | 0 | 0 | 0 | 110.6 | I527 S531 | I527-T529 PolarHBondContact O-N 3.3Å; T529-S531 PolarHBondContact O-N 2.86Å |
| 530 | L | 30.9 | Very low | 31.4 | Very low | 154 Ų | 154 | 129.1 Ų | 129.1 | 81% | 0.806 | 76% | 0.761 | S | S | * | * | | | trans | -69.1 | 105.2 | 163.7 | -78.2 | 164.5 | 0 | 0 | 0 | 106.4 | S528 S532 | S528-L530 PolarHBondContact O-N 3.49Å; L530-S532 PolarHBondContact O-N 3.05Å |
| 531 | S | 30.1 | Very low | 31.8 | Very low | 103 Ų | 103 | 129.7 Ų | 129.7 | 72% | 0.72 | 76% | 0.76 | S | S | * | * | | | trans | -40.1 | 113.4 | 165.8 | -66 | 0 | 0 | 0 | 0 | 108.2 | T529 I533 | T529-S531 PolarHBondContact O-N 2.86Å; S531-I533 PolarHBondContact O-N 3.07Å |
| 532 | S | 30.2 | Very low | 32.2 | Very low | 118 Ų | 118 | 132.4 Ų | 132.4 | 83% | 0.825 | 76% | 0.764 | S | S | * | * | | | trans | -66.4 | 85.5 | 175.1 | -177.4 | 0 | 0 | 0 | 0 | 107.4 | L530 A534 | L530-S532 PolarHBondContact O-N 3.05Å; S532-A534 PolarHBondContact O-N 3.31Å; S532-A534 VanDerWaalsContact O-N 3.09Å |
| 533 | I | 34.5 | Very low | 32.4 | Very low | 147 Ų | 147 | 128 Ų | 128 | 75% | 0.754 | 75% | 0.748 | S | S | * | * | | | trans | -66.6 | 105.4 | 165.3 | -64.4 | 165.8 | 0 | 0 | 0 | 104 | S531 | S531-I533 PolarHBondContact O-N 3.07Š|
| 534 | A | 29.2 | Very low | 32.6 | Very low | 75 Ų | 75 | 134.3 Ų | 134.3 | 62% | 0.62 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 132.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | S532 | S532-A534 PolarHBondContact O-N 3.31Å; S532-A534 VanDerWaalsContact O-N 3.09Å |
| 535 | P | 36.2 | Very low | 32.7 | Very low | 113 Ų | 113 | 139.1 Ų | 139.1 | 73% | 0.734 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 136.4 | -175.9 | 19.7 | -30.2 | 0 | 0 | 0 | 110 | I537 | P535-I537 PolarHBondContact O-N 2.98Š|
| 536 | P | 38.4 | Very low | 32.7 | Very low | 119 Ų | 119 | 137.7 Ų | 137.7 | 77% | 0.773 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 127.7 | -177.8 | 20.6 | -30.5 | 0 | 0 | 0 | 110.1 | | |
| 537 | I | 33.7 | Very low | 32.9 | Very low | 156 Ų | 156 | 137.5 Ų | 137.5 | 80% | 0.8 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 126.9 | 175 | -62.9 | 167.1 | 0 | 0 | 0 | 107.3 | P535 | P535-I537 PolarHBondContact O-N 2.98Š|
| 538 | P | 36 | Very low | 32.9 | Very low | 105 Ų | 105 | 135.8 Ų | 135.8 | 68% | 0.682 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 138.2 | -179.9 | 22 | -31.5 | 0 | 0 | 0 | 109.6 | R540 | P538-R540 PolarHBondContact O-N 3.24Š|
| 539 | P | 38.6 | Very low | 32.8 | Very low | 112 Ų | 112 | 137 Ų | 137 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 131.9 | -177.9 | 19.7 | -30.3 | 0 | 0 | 0 | 109.4 | V541 | P539-V541 PolarHBondContact O-N 3.4Š|
| 540 | R | 32.8 | Very low | 32.7 | Very low | 229 Ų | 229 | 138.7 Ų | 138.7 | 86% | 0.864 | 76% | 0.758 | S | S | * | * | | | trans | -54.8 | 95.1 | 167.9 | -99.7 | -179.2 | -179.6 | 140.5 | -0.2 | 107 | P538 H542 | P538-R540 PolarHBondContact O-N 3.24Å; R540-H542 VanDerWaalsContact C-N 3.33Å; R540-H542 PolarHBondContact O-N 2.86Å |
| 541 | V | 32.8 | Very low | 32.7 | Very low | 128 Ų | 128 | 138.6 Ų | 138.6 | 78% | 0.776 | 76% | 0.758 | S | S | * | * | | | trans | -64.6 | 105.5 | 167.3 | -179.5 | 0 | 0 | 0 | 0 | 104.3 | P539 G543 | P539-V541 PolarHBondContact O-N 3.4Å; V541-G543 PolarHBondContact O-N 2.81Å |
| 542 | H | 38.3 | Very low | 32.7 | Very low | 171 Ų | 171 | 137.2 Ų | 137.2 | 79% | 0.792 | 76% | 0.76 | S | S | * | * | | | trans | -62.6 | 74.1 | 160.9 | -72.7 | -67.2 | 0 | 0 | 0 | 107.1 | R540 R544 | R540-H542 VanDerWaalsContact C-N 3.33Å; R540-H542 PolarHBondContact O-N 2.86Å; H542-R544 PolarHBondContact O-N 2.89Å |
| 543 | G | 29.4 | Very low | 32.5 | Very low | 55 Ų | 55 | 138.5 Ų | 138.5 | 57% | 0.567 | 76% | 0.763 | S | S | * | * | | | trans | -69.6 | 83.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 107.1 | V541 R545 | V541-G543 PolarHBondContact O-N 2.81Å; G543-R545 PolarHBondContact O-N 3.5Å |
| 544 | R | 30.6 | Very low | 32.3 | Very low | 237 Ų | 237 | 140.3 Ų | 140.3 | 89% | 0.894 | 77% | 0.765 | S | S | * | * | | | trans | -54.2 | 99.6 | 154.2 | -75.2 | -175.2 | 175.5 | -174.3 | -1.1 | 105.1 | H542 P546 | H542-R544 PolarHBondContact O-N 2.89Å; R544-P546 WeakPolarHBondContact O-CD 3.4Å; R544-P546 VanDerWaalsContact O-N 3.15Å |
| 545 | R | 30.8 | Very low | 32.2 | Very low | 227 Ų | 227 | 145.2 Ų | 145.2 | 86% | 0.857 | 78% | 0.78 | S | S | * | * | | | trans | -61 | 116.2 | 168.9 | -77.1 | -178 | 174.5 | 170.9 | -1.4 | 105.7 | G543 I547 | G543-R545 PolarHBondContact O-N 3.5Å; R545-I547 PolarHBondContact O-N 3.48Å |
| 546 | P | 30 | Very low | 31.9 | Very low | 114 Ų | 114 | 146.5 Ų | 146.5 | 74% | 0.74 | 78% | 0.779 | S | S | * | * | | | trans | -64 | 108.6 | 170.8 | 25.4 | -29.4 | 0 | 0 | 0 | 106.4 | R544 V548 | R544-P546 WeakPolarHBondContact O-CD 3.4Å; R544-P546 VanDerWaalsContact O-N 3.15Å; P546-V548 VanDerWaalsContact C-N 3.26Å; P546-V548 PolarHBondContact O-N 2.91Å |
| 547 | I | 34.8 | Very low | 31.4 | Very low | 156 Ų | 156 | 149 Ų | 149 | 80% | 0.8 | 78% | 0.781 | S | S | * | * | | | trans | -67.7 | 100.2 | 164.3 | -59.8 | 173.4 | 0 | 0 | 0 | 103.9 | R545 S549 | R545-I547 PolarHBondContact O-N 3.48Å; I547-S549 PolarHBondContact O-N 3.47Å |
| 548 | V | 30.5 | Very low | 31.1 | Very low | 116 Ų | 116 | 150 Ų | 150 | 70% | 0.703 | 78% | 0.782 | S | S | * | * | | | trans | -67 | 87.8 | 170.1 | 178.5 | 0 | 0 | 0 | 0 | 106.1 | P546 K550 | P546-V548 VanDerWaalsContact C-N 3.26Å; P546-V548 PolarHBondContact O-N 2.91Å; V548-K550 VanDerWaalsContact C-N 3.29Å; V548-K550 HydrophobicContact CG1-CG 4.39Å; V548-K550 PolarHBondContact O-N 2.99Å |
| 549 | S | 30.3 | Very low | 30.8 | Very low | 102 Ų | 102 | 151 Ų | 151 | 71% | 0.713 | 79% | 0.787 | S | S | * | * | | | trans | -67.5 | 90.9 | 170.1 | 168.2 | 0 | 0 | 0 | 0 | 107.7 | I547 N551 | I547-S549 PolarHBondContact O-N 3.47Å; S549-N551 PolarHBondContact O-N 2.85Å |
| 550 | K | 29.4 | Very low | 30.3 | Very low | 175 Ų | 175 | 152 Ų | 152 | 76% | 0.761 | 79% | 0.79 | S | S | * | * | | | trans | -69.3 | 112.9 | 163.2 | -80.7 | -175.6 | 175 | -178.9 | 0 | 108.1 | V548 | V548-K550 VanDerWaalsContact C-N 3.29Å; V548-K550 HydrophobicContact CG1-CG 4.39Å; V548-K550 PolarHBondContact O-N 2.99Å |
| 551 | N | 31.1 | Very low | 30 | Very low | 153 Ų | 153 | 146.3 Ų | 146.3 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | S | Bend | trans | 77.1 | 126 | 155.6 | -53.7 | -16.4 | 0 | 0 | 0 | 117.5 | S549 | S549-N551 PolarHBondContact O-N 2.85Š|
| 552 | G | 29.4 | Very low | 29.7 | Very low | 73 Ų | 73 | 145 Ų | 145 | 75% | 0.753 | 78% | 0.782 | S | S | * | * | | | trans | 119.4 | 80.9 | 155.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | K554 | G552-K554 PolarHBondContact O-N 3.39Š|
| 553 | T | 25.9 | Very low | 29.2 | Very low | 145 Ų | 145 | 145.8 Ų | 145.8 | 89% | 0.89 | 78% | 0.779 | S | S | * | * | | | trans | -47.6 | 104.1 | 161.8 | 44.3 | 0 | 0 | 0 | 0 | 111.4 | | |
| 554 | K | 30 | Very low | 29.2 | Very low | 185 Ų | 185 | 150.9 Ų | 150.9 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | | | trans | -156.2 | 102 | 149.2 | -101.1 | 174.3 | -168.4 | -174.7 | 0 | 106.9 | G552 I556 | G552-K554 PolarHBondContact O-N 3.39Å; K554-I556 PolarHBondContact O-N 2.98Å |
| 555 | L | 27.2 | Very low | 29.2 | Very low | 178 Ų | 178 | 146.4 Ų | 146.4 | 93% | 0.932 | 78% | 0.782 | S | S | * | * | | | trans | -57.6 | 100.4 | 165.9 | -71.6 | 157.1 | 0 | 0 | 0 | 107 | | |
| 556 | I | 29.5 | Very low | 29.1 | Very low | 140 Ų | 140 | 141.4 Ų | 141.4 | 72% | 0.718 | 77% | 0.773 | S | S | * | * | | | trans | -96.3 | 101 | 162 | -60 | 174.7 | 0 | 0 | 0 | 103.6 | K554 E558 | K554-I556 PolarHBondContact O-N 2.98Å; I556-E558 VanDerWaalsContact C-N 3.31Å; I556-E558 PolarHBondContact O-N 2.78Å |
| 557 | E | 27.6 | Very low | 29.3 | Very low | 173 Ų | 173 | 145.3 Ų | 145.3 | 81% | 0.808 | 78% | 0.778 | S | S | * | * | | | trans | -58.7 | 99.3 | 165.4 | -71.1 | 178.5 | 159.7 | 0 | 0 | 107 | T559 | E557-T559 PolarHBondContact O-N 2.85Š|
| 558 | E | 28.8 | Very low | 29.3 | Very low | 176 Ų | 176 | 146.6 Ų | 146.6 | 82% | 0.822 | 78% | 0.778 | S | S | * | * | | | trans | -70.1 | 85.6 | 165.8 | -77.7 | -175.2 | 160.6 | 0 | 0 | 107.2 | I556 V560 | I556-E558 VanDerWaalsContact C-N 3.31Å; I556-E558 PolarHBondContact O-N 2.78Å; E558-V560 PolarHBondContact O-N 2.77Å |
| 559 | T | 28.5 | Very low | 29.4 | Very low | 127 Ų | 127 | 149 Ų | 149 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | | | trans | -52.7 | 106 | 160.5 | 19.6 | 0 | 0 | 0 | 0 | 107.7 | E557 S561 | E557-T559 PolarHBondContact O-N 2.85Å; T559-S561 PolarHBondContact O-N 2.61Å |
| 560 | V | 29.1 | Very low | 29.6 | Very low | 133 Ų | 133 | 151.4 Ų | 151.4 | 81% | 0.806 | 79% | 0.79 | S | S | * | * | | | trans | -63.2 | 83 | 168.7 | -177.1 | 0 | 0 | 0 | 0 | 107 | E558 S562 | E558-V560 PolarHBondContact O-N 2.77Å; V560-S562 VanDerWaalsContact C-N 3.25Å; V560-S562 PolarHBondContact O-N 3.27Å |
| 561 | S | 25.4 | Very low | 29.8 | Very low | 109 Ų | 109 | 148.7 Ų | 148.7 | 76% | 0.762 | 78% | 0.784 | S | S | * | * | | | trans | -68 | 91.2 | 169.4 | 172.1 | 0 | 0 | 0 | 0 | 107.1 | T559 Y563 | T559-S561 PolarHBondContact O-N 2.61Å; S561-Y563 VanDerWaalsContact C-N 3.28Å; S561-Y563 PolarHBondContact O-N 2.73Å |
| 562 | S | 26.2 | Very low | 29.8 | Very low | 100 Ų | 100 | 149.2 Ų | 149.2 | 70% | 0.699 | 78% | 0.783 | S | S | * | * | | | trans | -55.8 | 96.7 | 162.1 | -78 | 0 | 0 | 0 | 0 | 107.7 | V560 M564 | V560-S562 VanDerWaalsContact C-N 3.25Å; V560-S562 PolarHBondContact O-N 3.27Å; S562-M564 PolarHBondContact O-N 3.48Å |
| 563 | Y | 28.6 | Very low | 29.9 | Very low | 187 Ų | 187 | 153.1 Ų | 153.1 | 73% | 0.733 | 79% | 0.787 | S | S | * | * | | | trans | -62 | 103.5 | 166.8 | 176.7 | -95.4 | 0 | 0 | 0 | 106.6 | S561 I565 | S561-Y563 VanDerWaalsContact C-N 3.28Å; S561-Y563 PolarHBondContact O-N 2.73Å; Y563-I565 HydrophobicContact CD1-CG1 3.87Å; Y563-I565 HydrophobicContact CE1-CG1 4.03Å; Y563-I565 PolarHBondContact O-N 2.77Å |
| 564 | M | 29.3 | Very low | 30 | Very low | 162 Ų | 162 | 154.6 Ų | 154.6 | 80% | 0.798 | 78% | 0.781 | S | S | * | * | | | trans | -61.4 | 104.2 | 171.3 | -65.2 | -159.2 | 78.3 | 0 | 0 | 107.2 | S562 D566 | S562-M564 PolarHBondContact O-N 3.48Å; M564-D566 PolarHBondContact O-N 2.9Å |
| 565 | I | 30.1 | Very low | 30 | Very low | 143 Ų | 143 | 152.6 Ų | 152.6 | 73% | 0.733 | 78% | 0.779 | S | S | * | * | | | trans | -65.1 | 105.2 | 167.9 | -62.7 | 171.9 | 0 | 0 | 0 | 105.8 | Y563 K567 | Y563-I565 HydrophobicContact CD1-CG1 3.87Å; Y563-I565 HydrophobicContact CE1-CG1 4.03Å; Y563-I565 PolarHBondContact O-N 2.77Å; I565-K567 PolarHBondContact O-N 2.98Å; I565-K567 VanDerWaalsContact O-N 3.14Å |
| 566 | D | 30.2 | Very low | 30.1 | Very low | 122 Ų | 122 | 152.8 Ų | 152.8 | 65% | 0.652 | 77% | 0.774 | S | S | * | * | | | trans | -48.7 | 116.8 | 178.5 | -90.5 | -40.4 | 0 | 0 | 0 | 110.8 | M564 K568 | M564-D566 PolarHBondContact O-N 2.9Å; D566-K568 PolarHBondContact O-N 3.23Å |
| 567 | K | 33.5 | Very low | 30 | Very low | 196 Ų | 196 | 155.5 Ų | 155.5 | 85% | 0.852 | 78% | 0.782 | S | S | * | * | G | 310 helix | trans | -55.5 | -3.3 | 176.1 | -90.3 | -178.2 | 173.7 | -179 | 0 | 114.8 | I565 L569 | I565-K567 PolarHBondContact O-N 2.98Å; I565-K567 VanDerWaalsContact O-N 3.14Å; K567-L569 VanDerWaalsContact C-N 3.34Å; K567-L569 PolarHBondContact O-N 2.89Å |
| 568 | K | 34.9 | Very low | 29.9 | Very low | 184 Ų | 184 | 157.8 Ų | 157.8 | 80% | 0.8 | 78% | 0.783 | S | S | * | * | G | 310 helix | trans | -75.1 | -15.5 | -177.5 | -77.6 | -174.5 | 175.6 | 177.6 | 0 | 114.8 | D566 L570 | D566-K568 PolarHBondContact O-N 3.23Å; K568-L570 VanDerWaalsContact C-N 3.34Å |
| 569 | L | 32.2 | Very low | 29.9 | Very low | 165 Ų | 165 | 157.4 Ų | 157.4 | 86% | 0.864 | 78% | 0.781 | S | S | * | * | G | 310 helix | trans | -83.5 | -8.9 | 179.5 | -124.1 | 141.7 | 0 | 0 | 0 | 113.8 | K567 | K567-L569 VanDerWaalsContact C-N 3.34Å; K567-L569 PolarHBondContact O-N 2.89Å |
| 570 | L | 34.3 | Very low | 29.8 | Very low | 153 Ų | 153 | 156.8 Ų | 156.8 | 80% | 0.801 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -91.8 | -11.9 | -179 | -154.6 | 68.6 | 0 | 0 | 0 | 114.1 | K568 | K568-L570 VanDerWaalsContact C-N 3.34Š|
| 571 | D | 34.5 | Very low | 29.5 | Very low | 119 Ų | 119 | 157.6 Ų | 157.6 | 64% | 0.636 | 78% | 0.777 | S | S | * | * | G | 310 helix | trans | -94.2 | -6 | -172.8 | -105.3 | -10.2 | 0 | 0 | 0 | 115.8 | N573 | D571-N573 VanDerWaalsContact C-N 3.35Å; D571-N573 PolarHBondContact O-N 3.31Å |
| 572 | M | 31.7 | Very low | 29.6 | Very low | 163 Ų | 163 | 161 Ų | 161 | 80% | 0.803 | 78% | 0.778 | S | S | * | * | G | 310 helix | trans | -82.1 | -8.3 | 179.5 | -75.1 | -63.9 | -65.3 | 0 | 0 | 114.6 | | |
| 573 | N | 29.8 | Very low | 29.6 | Very low | 155 Ų | 155 | 161.4 Ų | 161.4 | 83% | 0.829 | 78% | 0.781 | S | S | * | * | G | 310 helix | trans | -98.9 | 1.5 | -179.5 | -80 | -14.7 | 0 | 0 | 0 | 115 | D571 | D571-N573 VanDerWaalsContact C-N 3.35Å; D571-N573 PolarHBondContact O-N 3.31Å |
| 574 | K | 28.9 | Very low | 29.4 | Very low | 176 Ų | 176 | 160 Ų | 160 | 77% | 0.765 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -103.1 | -1.1 | 178.9 | -89.4 | -175 | 175.9 | -178.9 | 0 | 115.8 | | |
| 575 | L | 30.2 | Very low | 29.2 | Very low | 144 Ų | 144 | 155.6 Ų | 155.6 | 75% | 0.754 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -118.2 | 54.2 | -174.7 | -76.2 | 167.4 | 0 | 0 | 0 | 113.8 | | |
| 576 | Q | 28.2 | Very low | 28.8 | Very low | 181 Ų | 181 | 155.7 Ų | 155.7 | 85% | 0.846 | 78% | 0.776 | S | S | * | * | | | trans | -152 | 42.4 | 157.9 | -75.4 | -57.7 | -49 | 0 | 0 | 111.5 | R578 | Q576-R578 VanDerWaalsContact C-N 3.32Å; Q576-R578 PolarHBondContact O-N 3.13Å |
| 577 | F | 28.1 | Very low | 28.6 | Very low | 198 Ų | 198 | 156.4 Ų | 156.4 | 87% | 0.868 | 78% | 0.778 | S | S | * | * | | | trans | -93.7 | 71 | 157.1 | -85.7 | -85.4 | 0 | 0 | 0 | 108.1 | | |
| 578 | R | 25.1 | Very low | 28.1 | Very low | 220 Ų | 220 | 153.4 Ų | 153.4 | 83% | 0.83 | 78% | 0.776 | S | S | * | * | | | trans | -104.9 | 100.9 | 159.3 | -111.4 | -173.8 | 177.8 | -179.9 | 0.6 | 106.7 | Q576 T580 | Q576-R578 VanDerWaalsContact C-N 3.32Å; Q576-R578 PolarHBondContact O-N 3.13Å; R578-T580 PolarHBondContact O-N 3.42Å |
| 579 | E | 29.1 | Very low | 27.6 | Very low | 168 Ų | 168 | 149.3 Ų | 149.3 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | | | trans | -54.2 | 84 | 166.2 | -68.2 | 173 | 146.8 | 0 | 0 | 109.8 | N581 | E579-N581 VanDerWaalsContact C-N 3.31Å; E579-N581 PolarHBondContact O-N 2.88Å; E579-N581 VanDerWaalsContact O-N 3.15Å |
| 580 | T | 26.4 | Very low | 27.2 | Very low | 115 Ų | 115 | 147 Ų | 147 | 71% | 0.706 | 76% | 0.762 | S | S | * | * | | | trans | -79.5 | 92.5 | 158.7 | 40.8 | 0 | 0 | 0 | 0 | 107.3 | R578 K582 | R578-T580 PolarHBondContact O-N 3.42Å; T580-K582 PolarHBondContact O-N 2.73Å |
| 581 | N | 23.9 | Very low | 26.7 | Very low | 149 Ų | 149 | 145.1 Ų | 145.1 | 80% | 0.797 | 76% | 0.757 | S | S | * | * | | | trans | -59.7 | 57.8 | 166.8 | -72.5 | -41.4 | 0 | 0 | 0 | 112 | E579 S583 | E579-N581 VanDerWaalsContact C-N 3.31Å; E579-N581 PolarHBondContact O-N 2.88Å; E579-N581 VanDerWaalsContact O-N 3.15Å; N581-S583 PolarHBondContact O-N 3.3Å |
| 582 | K | 27.2 | Very low | 26.2 | Very low | 182 Ų | 182 | 146.8 Ų | 146.8 | 79% | 0.791 | 77% | 0.766 | S | S | * | * | | | trans | -85.3 | 95.3 | 171 | -77.5 | -173.3 | 177.5 | -179.8 | 0 | 108.2 | T580 I584 | T580-K582 PolarHBondContact O-N 2.73Å; K582-I584 PolarHBondContact O-N 3.49Å |
| 583 | S | 25 | Very low | 25.9 | Very low | 107 Ų | 107 | 143.3 Ų | 143.3 | 75% | 0.748 | 75% | 0.754 | S | S | * | * | | | trans | -8.8 | 112.6 | 156.5 | -176.6 | 0 | 0 | 0 | 0 | 113.4 | N581 A585 | N581-S583 PolarHBondContact O-N 3.3Å; S583-A585 VanDerWaalsContact C-N 3.26Å; S583-A585 PolarHBondContact O-N 3.48Å |
| 584 | I | 25.3 | Very low | 25.6 | Very low | 157 Ų | 157 | 141.6 Ų | 141.6 | 81% | 0.805 | 75% | 0.749 | S | S | * | * | | | trans | -66.8 | 90.5 | 167.6 | -60.7 | 168.1 | 0 | 0 | 0 | 106.2 | K582 N586 | K582-I584 PolarHBondContact O-N 3.49Å; I584-N586 PolarHBondContact O-N 2.92Å |
| 585 | A | 24.8 | Very low | 25.3 | Very low | 71 Ų | 71 | 142.1 Ų | 142.1 | 59% | 0.587 | 75% | 0.748 | S | S | * | * | | | trans | -71.5 | 115 | 166.2 | 0 | 0 | 0 | 0 | 0 | 107.5 | S583 I587 | S583-A585 VanDerWaalsContact C-N 3.26Å; S583-A585 PolarHBondContact O-N 3.48Å; A585-I587 VanDerWaalsContact C-N 3.28Å; A585-I587 PolarHBondContact O-N 3.38Å |
| 586 | N | 22.4 | Very low | 25 | Very low | 145 Ų | 145 | 140.4 Ų | 140.4 | 78% | 0.775 | 74% | 0.743 | S | S | * | * | | | trans | -55.7 | 88.1 | 170.1 | -81.9 | -27.8 | 0 | 0 | 0 | 110.2 | I584 T588 | I584-N586 PolarHBondContact O-N 2.92Å; N586-T588 VanDerWaalsContact C-N 3.29Å; N586-T588 PolarHBondContact O-N 3.3Å |
| 587 | I | 25.7 | Very low | 24.7 | Very low | 137 Ų | 137 | 138 Ų | 138 | 70% | 0.703 | 74% | 0.736 | S | S | * | * | | | trans | -92.9 | 77.7 | 164.2 | -58.7 | 178.1 | 0 | 0 | 0 | 106.3 | A585 T589 | A585-I587 VanDerWaalsContact C-N 3.28Å; A585-I587 PolarHBondContact O-N 3.38Å; I587-T589 WeakPolarHBondContact CG2-OG1 3.44Å; I587-T589 PolarHBondContact O-N 2.89Å |
| 588 | T | 22.6 | Very low | 24.6 | Very low | 132 Ų | 132 | 135.2 Ų | 135.2 | 81% | 0.81 | 73% | 0.731 | S | S | * | * | | | trans | -67.1 | 80.9 | 158.9 | 21.4 | 0 | 0 | 0 | 0 | 108.2 | N586 | N586-T588 VanDerWaalsContact C-N 3.29Å; N586-T588 PolarHBondContact O-N 3.3Å |
| 589 | T | 23.3 | Very low | 24.4 | Very low | 98 Ų | 98 | 132.2 Ų | 132.2 | 60% | 0.601 | 73% | 0.728 | S | S | * | * | | | trans | -124.7 | 108.1 | 155.9 | 4.7 | 0 | 0 | 0 | 0 | 106.9 | I587 T591 | I587-T589 WeakPolarHBondContact CG2-OG1 3.44Å; I587-T589 PolarHBondContact O-N 2.89Å; T589-T591 PolarHBondContact O-N 3.31Å |
| 590 | P | 23.9 | Very low | 24 | Very low | 118 Ų | 118 | 130 Ų | 130 | 77% | 0.766 | 73% | 0.73 | S | S | * | * | | | trans | -67.8 | 89.8 | 169.6 | 27.6 | -30.1 | 0 | 0 | 0 | 107.2 | N592 | P590-N592 VanDerWaalsContact C-N 3.27Å; P590-N592 PolarHBondContact O-N 3.05Å |
| 591 | T | 24.9 | Very low | 23.9 | Very low | 113 Ų | 113 | 133.1 Ų | 133.1 | 69% | 0.693 | 73% | 0.733 | S | S | * | * | | | trans | -62.3 | 102.7 | 155.3 | 36.7 | 0 | 0 | 0 | 0 | 105.7 | T589 T593 | T589-T591 PolarHBondContact O-N 3.31Å; T591-T593 PolarHBondContact O-N 3.3Å; T591-T593 PolarHBondContact O-OG1 3.39Å |
| 592 | N | 24.1 | Very low | 23.8 | Very low | 154 Ų | 154 | 131.4 Ų | 131.4 | 82% | 0.824 | 73% | 0.73 | S | S | * | * | | | trans | -58.3 | 71.8 | 157.4 | -96.3 | -17.1 | 0 | 0 | 0 | 107.6 | P590 T594 | P590-N592 VanDerWaalsContact C-N 3.27Å; P590-N592 PolarHBondContact O-N 3.05Å; N592-T594 PolarHBondContact O-N 3.01Å |
| 593 | T | 25.1 | Very low | 23.7 | Very low | 90 Ų | 90 | 128.5 Ų | 128.5 | 55% | 0.552 | 73% | 0.728 | S | S | * | * | | | trans | -69.4 | 93.8 | 153.3 | 37 | 0 | 0 | 0 | 0 | 104.4 | T591 Y595 | T591-T593 PolarHBondContact O-N 3.3Å; T591-T593 PolarHBondContact O-OG1 3.39Å; T593-Y595 WeakPolarHBondContact O-CD2 3.46Å; T593-Y595 PolarHBondContact O-N 3.03Å |
| 594 | T | 23.5 | Very low | 23.6 | Very low | 119 Ų | 119 | 128.4 Ų | 128.4 | 73% | 0.73 | 72% | 0.722 | S | S | * | * | | | trans | -54 | 91.4 | 159.7 | -51.3 | 0 | 0 | 0 | 0 | 105.8 | N592 T596 | N592-T594 PolarHBondContact O-N 3.01Å; T594-T596 PolarHBondContact O-N 3.44Å |
| 595 | Y | 23.4 | Very low | 23.6 | Very low | 186 Ų | 186 | 129.9 Ų | 129.9 | 73% | 0.729 | 72% | 0.723 | S | S | * | * | | | trans | -60.6 | 100.1 | 161.8 | -81.1 | -88.4 | 0 | 0 | 0 | 104.2 | T593 N597 | T593-Y595 WeakPolarHBondContact O-CD2 3.46Å; T593-Y595 PolarHBondContact O-N 3.03Å; Y595-N597 PolarHBondContact O-N 2.92Å |
| 596 | T | 22.9 | Very low | 23.6 | Very low | 108 Ų | 108 | 132.4 Ų | 132.4 | 66% | 0.663 | 73% | 0.725 | S | S | * | * | | | trans | -58.9 | 89.1 | 154.8 | 49.6 | 0 | 0 | 0 | 0 | 104.2 | T594 N598 | T594-T596 PolarHBondContact O-N 3.44Å; T596-N598 PolarHBondContact O-N 3.07Å |
| 597 | N | 22.5 | Very low | 23.7 | Very low | 130 Ų | 130 | 129.3 Ų | 129.3 | 70% | 0.695 | 72% | 0.72 | S | S | * | * | | | trans | -56.8 | 93.9 | 160.3 | -77.6 | -30 | 0 | 0 | 0 | 103.6 | Y595 M599 | Y595-N597 PolarHBondContact O-N 2.92Å; N597-M599 HydrophobicContact CB-CG 4.5Å; N597-M599 PolarHBondContact O-N 3.31Å |
| 598 | N | 25 | Very low | 23.7 | Very low | 141 Ų | 141 | 130.7 Ų | 130.7 | 75% | 0.754 | 72% | 0.723 | S | S | * | * | | | trans | -58.2 | 83.3 | 155.4 | -73.9 | -24.9 | 0 | 0 | 0 | 103.8 | T596 C600 | T596-N598 PolarHBondContact O-N 3.07Å; N598-C600 PolarHBondContact O-N 3.23Å |
| 599 | M | 21.3 | Very low | 23.8 | Very low | 157 Ų | 157 | 129.8 Ų | 129.8 | 77% | 0.773 | 72% | 0.718 | S | S | * | * | | | trans | -55.5 | 97.5 | 163.7 | -70 | -75.2 | -79.9 | 0 | 0 | 102.9 | N597 K601 | N597-M599 HydrophobicContact CB-CG 4.5Å; N597-M599 PolarHBondContact O-N 3.31Å; M599-K601 PolarHBondContact O-N 3.08Å |
| 600 | C | 21.5 | Very low | 23.9 | Very low | 122 Ų | 122 | 128.8 Ų | 128.8 | 82% | 0.824 | 72% | 0.72 | S | S | * | * | | | trans | -52.7 | 97.7 | 165.9 | -86.3 | 0 | 0 | 0 | 0 | 105 | N598 | N598-C600 PolarHBondContact O-N 3.23Š|
| 601 | K | 23.1 | Very low | 23.9 | Very low | 179 Ų | 179 | 130.3 Ų | 130.3 | 78% | 0.778 | 72% | 0.718 | S | S | * | * | | | trans | -52.8 | 129.7 | 167.2 | -71.4 | -177.3 | 179.2 | 179.1 | 0 | 104.9 | M599 V603 | M599-K601 PolarHBondContact O-N 3.08Å; K601-V603 PolarHBondContact O-N 2.95Å |
| 602 | P | 22.3 | Very low | 23.9 | Very low | 113 Ų | 113 | 131.5 Ų | 131.5 | 73% | 0.734 | 72% | 0.721 | S | S | * | * | | | trans | -55.8 | 110.1 | 176.4 | 21.8 | -30.8 | 0 | 0 | 0 | 106.6 | V604 | P602-V604 PolarHBondContact O-N 2.87Š|
| 603 | V | 24.4 | Very low | 23.9 | Very low | 121 Ų | 121 | 131.6 Ų | 131.6 | 73% | 0.733 | 72% | 0.72 | S | S | * | * | | | trans | -68.1 | 93.7 | 168.7 | -179.5 | 0 | 0 | 0 | 0 | 103.9 | K601 K605 | K601-V603 PolarHBondContact O-N 2.95Å; V603-K605 HydrophobicContact CG1-CG 3.89Å; V603-K605 PolarHBondContact O-N 2.93Å |
| 604 | V | 24.3 | Very low | 23.9 | Very low | 105 Ų | 105 | 133.4 Ų | 133.4 | 64% | 0.636 | 73% | 0.726 | S | S | * | * | | | trans | -64.5 | 84.4 | 165.3 | 178.2 | 0 | 0 | 0 | 0 | 105.1 | P602 I606 | P602-V604 PolarHBondContact O-N 2.87Å; V604-I606 HydrophobicContact CG1-CD1 3.82Å; V604-I606 HydrophobicContact CG1-CG1 3.68Å; V604-I606 PolarHBondContact O-N 2.96Å |
| 605 | K | 25.2 | Very low | 23.8 | Very low | 189 Ų | 189 | 136 Ų | 136 | 82% | 0.822 | 73% | 0.73 | S | S | * | * | | | trans | -69.5 | 84.5 | 159.7 | -75.7 | -168.3 | 177 | -175.9 | 0 | 105.1 | V603 A607 | V603-K605 HydrophobicContact CG1-CG 3.89Å; V603-K605 PolarHBondContact O-N 2.93Å; K605-A607 VanDerWaalsContact C-N 3.29Å; K605-A607 PolarHBondContact O-N 2.74Å |
| 606 | I | 24.7 | Very low | 23.8 | Very low | 123 Ų | 123 | 131.8 Ų | 131.8 | 63% | 0.631 | 73% | 0.726 | S | S | * | * | | | trans | -59 | 109 | 154.2 | -71.8 | 143.3 | 0 | 0 | 0 | 103.8 | V604 E608 | V604-I606 HydrophobicContact CG1-CD1 3.82Å; V604-I606 HydrophobicContact CG1-CG1 3.68Å; V604-I606 PolarHBondContact O-N 2.96Å; I606-E608 HydrophobicContact CG2-CG 3.66Å; I606-E608 PolarHBondContact O-N 3.33Å |
| 607 | A | 23.2 | Very low | 23.8 | Very low | 80 Ų | 80 | 131.6 Ų | 131.6 | 66% | 0.661 | 73% | 0.729 | S | S | * | * | | | trans | -62.5 | 87 | 159.6 | 0 | 0 | 0 | 0 | 0 | 106 | K605 T609 | K605-A607 VanDerWaalsContact C-N 3.29Å; K605-A607 PolarHBondContact O-N 2.74Å; A607-T609 PolarHBondContact O-N 3.14Å |
| 608 | E | 26.1 | Very low | 23.9 | Very low | 166 Ų | 166 | 130.3 Ų | 130.3 | 78% | 0.776 | 73% | 0.73 | S | S | * | * | | | trans | -70.5 | 68.1 | 159.1 | -71.8 | -171.7 | 154.3 | 0 | 0 | 107 | I606 A610 | I606-E608 HydrophobicContact CG2-CG 3.66Å; I606-E608 PolarHBondContact O-N 3.33Å; E608-A610 PolarHBondContact O-N 2.73Å |
| 609 | T | 25.1 | Very low | 23.8 | Very low | 113 Ų | 113 | 133 Ų | 133 | 69% | 0.693 | 73% | 0.73 | S | S | * | * | | | trans | -80.8 | 40.6 | 149.9 | -29 | 0 | 0 | 0 | 0 | 107.8 | A607 M611 | A607-T609 PolarHBondContact O-N 3.14Å; T609-M611 PolarHBondContact O-N 2.89Å |
| 610 | A | 25.2 | Very low | 23.9 | Very low | 78 Ų | 78 | 131.8 Ų | 131.8 | 65% | 0.645 | 74% | 0.735 | S | S | * | * | | | trans | -75.8 | 82.1 | 155.2 | 0 | 0 | 0 | 0 | 0 | 104.4 | E608 N612 | E608-A610 PolarHBondContact O-N 2.73Å; A610-N612 PolarHBondContact O-N 3.19Å |
| 611 | M | 24.4 | Very low | 24.1 | Very low | 150 Ų | 150 | 133.9 Ų | 133.9 | 74% | 0.739 | 73% | 0.731 | S | S | * | * | | | trans | -43.9 | 102.9 | 157.8 | -73.3 | -78.5 | -78.2 | 0 | 0 | 105.8 | T609 L613 | T609-M611 PolarHBondContact O-N 2.89Å; M611-L613 PolarHBondContact O-N 2.96Å |
| 612 | N | 24.6 | Very low | 24.3 | Very low | 138 Ų | 138 | 133.5 Ų | 133.5 | 74% | 0.738 | 74% | 0.737 | S | S | * | * | | | trans | -51.8 | 92.6 | 143.6 | -87.4 | -39.5 | 0 | 0 | 0 | 104.3 | A610 L614 | A610-N612 PolarHBondContact O-N 3.19Å; N612-L614 HydrophobicContact CB-CD1 4.25Å; N612-L614 PolarHBondContact O-N 2.93Å |
| 613 | L | 23.7 | Very low | 24.4 | Very low | 156 Ų | 156 | 131.1 Ų | 131.1 | 82% | 0.817 | 73% | 0.733 | S | S | * | * | | | trans | -55.2 | 73.9 | 137.8 | -76.4 | 160.7 | 0 | 0 | 0 | 105.4 | M611 Q615 | M611-L613 PolarHBondContact O-N 2.96Å; L613-Q615 PolarHBondContact O-N 2.9Å |
| 614 | L | 24.6 | Very low | 24.5 | Very low | 127 Ų | 127 | 129.2 Ų | 129.2 | 67% | 0.665 | 74% | 0.738 | S | S | * | * | | | trans | -56.1 | 88.6 | 141.1 | -97.6 | 140.9 | 0 | 0 | 0 | 103.6 | N612 C616 | N612-L614 HydrophobicContact CB-CD1 4.25Å; N612-L614 PolarHBondContact O-N 2.93Å; L614-C616 PolarHBondContact O-N 3.42Å |
| 615 | Q | 23.5 | Very low | 24.8 | Very low | 175 Ų | 175 | 131.3 Ų | 131.3 | 82% | 0.818 | 75% | 0.746 | S | S | * | * | | | trans | -54.2 | 73 | 140.2 | -136 | 172.3 | 2.1 | 0 | 0 | 105.7 | L613 S617 | L613-Q615 PolarHBondContact O-N 2.9Å; Q615-S617 PolarHBondContact O-N 2.91Å |
| 616 | C | 22.2 | Very low | 25 | Very low | 97 Ų | 97 | 131.4 Ų | 131.4 | 66% | 0.655 | 75% | 0.749 | S | S | * | * | | | trans | -65.6 | 74.5 | 158.6 | -78.4 | 0 | 0 | 0 | 0 | 105.5 | L614 S618 | L614-C616 PolarHBondContact O-N 3.42Å; C616-S618 PolarHBondContact O-N 3.11Å |
| 617 | S | 23.9 | Very low | 25.1 | Very low | 104 Ų | 104 | 133.3 Ų | 133.3 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | | | trans | -73.2 | 90.6 | 154.9 | -159.3 | 0 | 0 | 0 | 0 | 104.8 | Q615 R619 | Q615-S617 PolarHBondContact O-N 2.91Å; S617-R619 VanDerWaalsContact C-N 3.27Å; S617-R619 PolarHBondContact O-N 2.87Å |
| 618 | S | 23.2 | Very low | 25.4 | Very low | 102 Ų | 102 | 135.4 Ų | 135.4 | 71% | 0.713 | 76% | 0.762 | S | S | * | * | | | trans | -60.3 | 89.3 | 173.9 | 55.5 | 0 | 0 | 0 | 0 | 109.2 | C616 | C616-S618 PolarHBondContact O-N 3.11Š|
| 619 | R | 23.1 | Very low | 25.6 | Very low | 198 Ų | 198 | 137.5 Ų | 137.5 | 75% | 0.747 | 76% | 0.764 | S | S | * | * | | | trans | -123.7 | 78.6 | 149.9 | -72.5 | -167.9 | -175.4 | -143.6 | 1.6 | 106.4 | S617 F621 | S617-R619 VanDerWaalsContact C-N 3.27Å; S617-R619 PolarHBondContact O-N 2.87Å; R619-F621 HydrophobicContact CB-CD2 4.07Å; R619-F621 HydrophobicContact CB-CE2 4.35Å; R619-F621 PolarHBondContact O-N 2.76Å |
| 620 | C | 23.2 | Very low | 25.6 | Very low | 131 Ų | 131 | 141 Ų | 141 | 89% | 0.885 | 77% | 0.77 | S | S | * | * | | | trans | -63.9 | 90.9 | 157 | -56.5 | 0 | 0 | 0 | 0 | 105.7 | | |
| 621 | F | 26.2 | Very low | 25.6 | Very low | 166 Ų | 166 | 144.6 Ų | 144.6 | 73% | 0.728 | 78% | 0.778 | S | S | * | * | | | trans | -80.9 | 133.8 | 161.4 | -95.8 | -81.7 | 0 | 0 | 0 | 107.4 | R619 G623 | R619-F621 HydrophobicContact CB-CD2 4.07Å; R619-F621 HydrophobicContact CB-CE2 4.35Å; R619-F621 PolarHBondContact O-N 2.76Å; F621-G623 PolarHBondContact O-N 3.25Å |
| 622 | D | 26.7 | Very low | 25.5 | Very low | 172 Ų | 172 | 142.9 Ų | 142.9 | 92% | 0.92 | 78% | 0.78 | S | S | * | * | | | trans | -35.8 | 121.8 | 171.7 | -75.4 | -51.5 | 0 | 0 | 0 | 113.1 | | |
| 623 | G | 26.2 | Very low | 25.7 | Very low | 62 Ų | 62 | 144.6 Ų | 144.6 | 64% | 0.639 | 79% | 0.786 | S | S | * | * | | | trans | -172.6 | 105.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | F621 D625 | F621-G623 PolarHBondContact O-N 3.25Å; G623-D625 PolarHBondContact O-N 3.03Å |
| 624 | G | 26.1 | Very low | 25.7 | Very low | 82 Ų | 82 | 143.5 Ų | 143.5 | 85% | 0.845 | 78% | 0.78 | S | S | * | * | | | trans | -68.7 | 51.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q626 | G624-Q626 PolarHBondContact O-N 3.11Š|
| 625 | D | 31.1 | Very low | 25.7 | Very low | 148 Ų | 148 | 145.4 Ų | 145.4 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | | | trans | -85.7 | 101.3 | 171.6 | -73.5 | -21 | 0 | 0 | 0 | 108.8 | G623 H627 | G623-D625 PolarHBondContact O-N 3.03Å; D625-H627 PolarHBondContact O-N 2.98Å |
| 626 | Q | 28.2 | Very low | 25.8 | Very low | 192 Ų | 192 | 143.9 Ų | 143.9 | 90% | 0.897 | 78% | 0.784 | S | S | * | * | | | trans | -51.7 | 104 | 168.9 | -69.7 | 172.1 | -8.3 | 0 | 0 | 109.4 | G624 P628 | G624-Q626 PolarHBondContact O-N 3.11Å; Q626-P628 WeakPolarHBondContact O-CD 3.47Å |
| 627 | H | 26.4 | Very low | 26.1 | Very low | 163 Ų | 163 | 146.7 Ų | 146.7 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | | | trans | -62.8 | 122.7 | 173.2 | -101.1 | -79.2 | 0 | 0 | 0 | 109.5 | D625 Y629 | D625-H627 PolarHBondContact O-N 2.98Å; H627-Y629 PolarHBondContact O-N 3.07Å |
| 628 | P | 31.1 | Very low | 26.2 | Very low | 123 Ų | 123 | 150.7 Ų | 150.7 | 80% | 0.799 | 80% | 0.795 | S | S | * | * | G | 310 helix | trans | -72.1 | 20.4 | -178.8 | 26.8 | -32.8 | 0 | 0 | 0 | 114.6 | Q626 | Q626-P628 WeakPolarHBondContact O-CD 3.47Š|
| 629 | Y | 28.3 | Very low | 26.3 | Very low | 210 Ų | 210 | 155.9 Ų | 155.9 | 82% | 0.824 | 80% | 0.8 | S | S | * | * | G | 310 helix | trans | -86 | -6.1 | -177.9 | -135.5 | -95.6 | 0 | 0 | 0 | 114.6 | H627 | H627-Y629 PolarHBondContact O-N 3.07Š|
| 630 | F | 25.9 | Very low | 26.5 | Very low | 186 Ų | 186 | 153 Ų | 153 | 82% | 0.816 | 80% | 0.804 | S | S | * | * | G | 310 helix | trans | -99.6 | 5.2 | -178.8 | -84.6 | -74 | 0 | 0 | 0 | 116.2 | | |
| 631 | N | 25.1 | Very low | 26.5 | Very low | 154 Ų | 154 | 155.7 Ų | 155.7 | 82% | 0.824 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -93.3 | 5.9 | 177 | -102.4 | 5.4 | 0 | 0 | 0 | 115.7 | | |
| 632 | C | 23.2 | Very low | 26.5 | Very low | 115 Ų | 115 | 151.7 Ų | 151.7 | 78% | 0.777 | 80% | 0.798 | S | S | * | * | G | 310 helix | trans | -91.4 | -6 | -178.1 | -147.7 | 0 | 0 | 0 | 0 | 115 | N634 | C632-N634 PolarHBondContact O-N 3.03Š|
| 633 | M | 27.4 | Very low | 26.4 | Very low | 174 Ų | 174 | 151 Ų | 151 | 86% | 0.857 | 79% | 0.794 | S | S | * | * | G | 310 helix | trans | -89 | 5 | -178.1 | -68.7 | -65.4 | -92.8 | 0 | 0 | 114.8 | | |
| 634 | N | 24.7 | Very low | 26.4 | Very low | 132 Ų | 132 | 154.9 Ų | 154.9 | 71% | 0.706 | 80% | 0.799 | S | S | * | * | G | 310 helix | trans | -109 | 3.6 | -177.1 | -115.5 | 3.6 | 0 | 0 | 0 | 116.7 | C632 Q636 | C632-N634 PolarHBondContact O-N 3.03Å; N634-Q636 PolarHBondContact O-N 3.47Å |
| 635 | N | 23.4 | Very low | 26.5 | Very low | 168 Ų | 168 | 158.4 Ų | 158.4 | 90% | 0.898 | 80% | 0.798 | S | S | * | * | | | trans | -86.8 | 68.2 | 163 | -82 | -14.5 | 0 | 0 | 0 | 109.8 | Q637 | N635-Q637 PolarHBondContact O-N 3.47Š|
| 636 | Q | 27.2 | Very low | 26.1 | Very low | 142 Ų | 142 | 155.2 Ų | 155.2 | 66% | 0.664 | 79% | 0.787 | S | S | * | * | | | trans | -54.3 | 127.1 | 158.4 | -69.2 | -177.1 | -8.8 | 0 | 0 | 109.3 | N634 | N634-Q636 PolarHBondContact O-N 3.47Š|
| 637 | Q | 28 | Very low | 25.9 | Very low | 156 Ų | 156 | 153.2 Ų | 153.2 | 73% | 0.729 | 78% | 0.783 | S | S | * | * | | | trans | 56.7 | 66.7 | 138 | -55.7 | -174.4 | 0.8 | 0 | 0 | 117.8 | N635 | N635-Q637 PolarHBondContact O-N 3.47Š|
| 638 | H | 26.4 | Very low | 25.8 | Very low | 189 Ų | 189 | 152.1 Ų | 152.1 | 88% | 0.875 | 78% | 0.782 | S | S | * | * | | | trans | -103.4 | 67.7 | 141.4 | -74.1 | -57.2 | 0 | 0 | 0 | 109.4 | V640 | H638-V640 VanDerWaalsContact C-N 3.31Å; H638-V640 PolarHBondContact O-N 3.45Å |
| 639 | Y | 25.4 | Very low | 25.5 | Very low | 210 Ų | 210 | 154.9 Ų | 154.9 | 82% | 0.824 | 78% | 0.784 | S | S | * | * | | | trans | -64.9 | 104.3 | 152.7 | -83.7 | -82.2 | 0 | 0 | 0 | 106.2 | K641 | Y639-K641 VanDerWaalsContact C-N 3.29Å; Y639-K641 PolarHBondContact O-N 3.27Å |
| 640 | V | 25.5 | Very low | 25.4 | Very low | 137 Ų | 137 | 152.5 Ų | 152.5 | 83% | 0.83 | 79% | 0.785 | S | S | * | * | | | trans | -56 | 100.4 | 164.4 | 178.6 | 0 | 0 | 0 | 0 | 105.8 | H638 A642 | H638-V640 VanDerWaalsContact C-N 3.31Å; H638-V640 PolarHBondContact O-N 3.45Å; V640-A642 PolarHBondContact O-N 2.82Å |
| 641 | K | 24.8 | Very low | 25.4 | Very low | 189 Ų | 189 | 152.4 Ų | 152.4 | 82% | 0.822 | 78% | 0.784 | S | S | * | * | | | trans | -50.7 | 119.4 | 167 | -95.5 | 179 | 174.8 | 175.1 | 0 | 105.9 | Y639 N643 | Y639-K641 VanDerWaalsContact C-N 3.29Å; Y639-K641 PolarHBondContact O-N 3.27Å; K641-N643 PolarHBondContact O-N 3.23Å |
| 642 | A | 25 | Very low | 25.3 | Very low | 81 Ų | 81 | 150.9 Ų | 150.9 | 67% | 0.669 | 78% | 0.782 | S | S | * | * | | | trans | -51.9 | 119.9 | 165.7 | 0 | 0 | 0 | 0 | 0 | 106.5 | V640 I644 | V640-A642 PolarHBondContact O-N 2.82Å; A642-I644 PolarHBondContact O-N 3.03Å |
| 643 | N | 24.9 | Very low | 25.4 | Very low | 157 Ų | 157 | 150.8 Ų | 150.8 | 84% | 0.84 | 78% | 0.778 | S | S | * | * | | | trans | -62.2 | 81.7 | 166.9 | -87.1 | -19.1 | 0 | 0 | 0 | 106.9 | K641 L645 | K641-N643 PolarHBondContact O-N 3.23Å; N643-L645 PolarHBondContact O-N 3.31Å |
| 644 | I | 26.3 | Very low | 25.3 | Very low | 145 Ų | 145 | 150.2 Ų | 150.2 | 74% | 0.744 | 77% | 0.773 | S | S | * | * | | | trans | -66.5 | 95.5 | 158.2 | -58.5 | 173.6 | 0 | 0 | 0 | 102.7 | A642 S646 | A642-I644 PolarHBondContact O-N 3.03Å; I644-S646 PolarHBondContact O-N 3.15Å |
| 645 | L | 28.2 | Very low | 25.3 | Very low | 155 Ų | 155 | 153.3 Ų | 153.3 | 81% | 0.812 | 78% | 0.78 | S | S | * | * | | | trans | -51 | 93.4 | 162.7 | -91 | 137 | 0 | 0 | 0 | 106.2 | N643 N647 | N643-L645 PolarHBondContact O-N 3.31Å; L645-N647 PolarHBondContact O-N 3.4Å |
| 646 | S | 23.1 | Very low | 25.3 | Very low | 82 Ų | 82 | 154.8 Ų | 154.8 | 57% | 0.573 | 77% | 0.774 | S | S | * | * | | | trans | -68.3 | 92.2 | 168.8 | 47.2 | 0 | 0 | 0 | 0 | 105.7 | I644 N648 | I644-S646 PolarHBondContact O-N 3.15Å; S646-N648 PolarHBondContact O-N 3.27Å |
| 647 | N | 23 | Very low | 25.1 | Very low | 150 Ų | 150 | 157.2 Ų | 157.2 | 80% | 0.802 | 79% | 0.786 | S | S | * | * | | | trans | -67.1 | 74.9 | 160.9 | -106.9 | -9.1 | 0 | 0 | 0 | 107.5 | L645 Q649 | L645-N647 PolarHBondContact O-N 3.4Å; N647-Q649 PolarHBondContact O-N 2.93Å |
| 648 | N | 24 | Very low | 24.9 | Very low | 139 Ų | 139 | 154.2 Ų | 154.2 | 74% | 0.743 | 78% | 0.782 | S | S | * | * | | | trans | -72.8 | 68.8 | 168.9 | -78.5 | -24.2 | 0 | 0 | 0 | 108.9 | S646 | S646-N648 PolarHBondContact O-N 3.27Š|
| 649 | Q | 25.7 | Very low | 24.8 | Very low | 181 Ų | 181 | 152.3 Ų | 152.3 | 85% | 0.846 | 78% | 0.778 | S | S | * | * | | | trans | -146.3 | 55.1 | 165.1 | -71.2 | -161.1 | 19.8 | 0 | 0 | 111.1 | N647 | N647-Q649 PolarHBondContact O-N 2.93Š|
| 650 | I | 25.8 | Very low | 24.6 | Very low | 161 Ų | 161 | 148 Ų | 148 | 83% | 0.826 | 78% | 0.779 | S | S | * | * | | | trans | -129.7 | 95 | 158.2 | -53.5 | -179.9 | 0 | 0 | 0 | 106.6 | | |
| 651 | K | 26 | Very low | 24.7 | Very low | 184 Ų | 184 | 146.3 Ų | 146.3 | 80% | 0.8 | 77% | 0.769 | S | S | * | * | | | trans | -57.5 | 135.7 | 172.2 | -72.3 | 178.7 | 177.9 | 178.1 | 0 | 108.4 | V653 | K651-V653 PolarHBondContact O-N 3.16Š|
| 652 | P | 23.5 | Very low | 24.5 | Very low | 122 Ų | 122 | 148.3 Ų | 148.3 | 79% | 0.792 | 77% | 0.771 | S | S | * | * | | | trans | -69.8 | 99.9 | 179.3 | 27.9 | -31.7 | 0 | 0 | 0 | 108.9 | H654 | P652-H654 PolarHBondContact O-N 3.29Š|
| 653 | V | 25.2 | Very low | 24.5 | Very low | 112 Ų | 112 | 154.3 Ų | 154.3 | 68% | 0.679 | 78% | 0.778 | S | S | * | * | | | trans | -78.8 | 114.4 | 171.3 | 176.9 | 0 | 0 | 0 | 0 | 107.5 | K651 F655 | K651-V653 PolarHBondContact O-N 3.16Å; V653-F655 PolarHBondContact O-N 3.21Å; V653-F655 VanDerWaalsContact O-N 3.14Å |
| 654 | H | 24.7 | Very low | 24.3 | Very low | 162 Ų | 162 | 152.6 Ų | 152.6 | 75% | 0.75 | 77% | 0.774 | S | S | * | * | | | trans | -52.3 | 111.1 | 170.7 | -76.1 | -98.3 | 0 | 0 | 0 | 110.2 | P652 Y656 | P652-H654 PolarHBondContact O-N 3.29Å; H654-Y656 PolarHBondContact O-N 2.97Å |
| 655 | F | 25.4 | Very low | 24 | Very low | 197 Ų | 197 | 155.5 Ų | 155.5 | 86% | 0.864 | 78% | 0.781 | S | S | * | * | | | trans | -85.5 | 98.2 | 165.7 | -86.2 | -83.5 | 0 | 0 | 0 | 108.7 | V653 Q657 | V653-F655 PolarHBondContact O-N 3.21Å; V653-F655 VanDerWaalsContact O-N 3.14Å; F655-Q657 PolarHBondContact O-N 2.75Å |
| 656 | Y | 24.1 | Very low | 24 | Very low | 199 Ų | 199 | 155.7 Ų | 155.7 | 78% | 0.78 | 78% | 0.783 | S | S | * | * | | | trans | -58.6 | 131.2 | 161.4 | -86 | -91.7 | 0 | 0 | 0 | 109.7 | H654 S658 | H654-Y656 PolarHBondContact O-N 2.97Å; Y656-S658 PolarHBondContact O-N 3.4Å |
| 657 | Q | 21.9 | Very low | 23.9 | Very low | 193 Ų | 193 | 156.9 Ų | 156.9 | 90% | 0.902 | 79% | 0.792 | S | S | * | * | | | trans | -66.1 | 109.7 | 168.7 | -171.2 | 166.1 | 5.8 | 0 | 0 | 108.3 | F655 | F655-Q657 PolarHBondContact O-N 2.75Š|
| 658 | S | 24.6 | Very low | 24.3 | Very low | 94 Ų | 94 | 155.1 Ų | 155.1 | 66% | 0.657 | 79% | 0.788 | S | S | * | * | | | trans | -147.4 | 100 | 173.8 | -58.8 | 0 | 0 | 0 | 0 | 110.7 | Y656 | Y656-S658 PolarHBondContact O-N 3.4Š|
| 659 | N | 24.2 | Very low | 24.4 | Very low | 148 Ų | 148 | 157.8 Ų | 157.8 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | | | trans | 54.9 | 104.6 | 145.6 | -62.1 | -20.2 | 0 | 0 | 0 | 120.3 | T661 | N659-T661 PolarHBondContact O-N 2.73Å; N659-T661 PolarHBondContact O-OG1 2.96Å |
| 660 | S | 21.4 | Very low | 24.4 | Very low | 120 Ų | 120 | 155.9 Ų | 155.9 | 84% | 0.839 | 79% | 0.793 | S | S | * | * | | | trans | -36.4 | 102.7 | 151.2 | -176.5 | 0 | 0 | 0 | 0 | 112.2 | | |
| 661 | T | 27.3 | Very low | 24.5 | Very low | 101 Ų | 101 | 154.5 Ų | 154.5 | 62% | 0.62 | 79% | 0.786 | S | S | * | * | | | trans | -116.5 | 104.4 | 167.2 | -31.7 | 0 | 0 | 0 | 0 | 107.4 | N659 Y663 | N659-T661 PolarHBondContact O-N 2.73Å; N659-T661 PolarHBondContact O-OG1 2.96Å; T661-Y663 HydrophobicContact CG2-CD2 4.08Å; T661-Y663 HydrophobicContact CG2-CE2 3.65Å; T661-Y663 PolarHBondContact O-N 3.27Å; T661-Y663 VanDerWaalsContact O-N 3.12Å |
| 662 | R | 21 | Very low | 24.3 | Very low | 231 Ų | 231 | 149.9 Ų | 149.9 | 87% | 0.872 | 78% | 0.783 | S | S | * | * | | | trans | -56.7 | 111.1 | 171.8 | -62.3 | 175.4 | -150.9 | 178.9 | 5.3 | 107.9 | | |
| 663 | Y | 23.7 | Very low | 24.5 | Very low | 208 Ų | 208 | 150.1 Ų | 150.1 | 82% | 0.816 | 78% | 0.777 | S | S | * | * | | | trans | -115.7 | 118 | 164.3 | -88.6 | -81.4 | 0 | 0 | 0 | 109.6 | T661 | T661-Y663 HydrophobicContact CG2-CD2 4.08Å; T661-Y663 HydrophobicContact CG2-CE2 3.65Å; T661-Y663 PolarHBondContact O-N 3.27Å; T661-Y663 VanDerWaalsContact O-N 3.12Å |
| 664 | T | 21.8 | Very low | 24.3 | Very low | 120 Ų | 120 | 148.5 Ų | 148.5 | 74% | 0.736 | 78% | 0.784 | S | S | * | * | | | trans | -66.4 | 144.8 | -175.9 | -38.1 | 0 | 0 | 0 | 0 | 111.2 | N666 | T664-N666 PolarHBondContact O-N 3.09Š|
| 665 | F | 20.4 | Very low | 24.4 | Very low | 207 Ų | 207 | 150.2 Ų | 150.2 | 91% | 0.908 | 79% | 0.789 | S | S | * | * | | | trans | -58.1 | 113.8 | 176.4 | -72.7 | -95.3 | 0 | 0 | 0 | 111.8 | | |
| 666 | N | 26.3 | Very low | 24.4 | Very low | 158 Ų | 158 | 150.1 Ų | 150.1 | 85% | 0.845 | 79% | 0.788 | S | S | * | * | | | trans | -113.3 | 92.8 | 163.4 | -74 | -22.7 | 0 | 0 | 0 | 108.8 | T664 | T664-N666 PolarHBondContact O-N 3.09Š|
| 667 | S | 22.7 | Very low | 24.4 | Very low | 108 Ų | 108 | 148.5 Ų | 148.5 | 76% | 0.755 | 79% | 0.791 | S | S | * | * | | | trans | -76.3 | 164.4 | 142.5 | 54.6 | 0 | 0 | 0 | 0 | 107.6 | | |
| 668 | P | 30.2 | Very low | 24.5 | Very low | 112 Ų | 112 | 144.6 Ų | 144.6 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | | | cis | -128.7 | 161.1 | 3.5 | 39.6 | -24.2 | 0 | 0 | 0 | 112.5 | | |
| 669 | K | 27.3 | Very low | 24.4 | Very low | 196 Ų | 196 | 148.2 Ų | 148.2 | 85% | 0.852 | 79% | 0.792 | S | S | * | * | | | trans | -162.6 | 96.7 | 151 | -111.2 | 162 | -170.2 | -178.1 | 0 | 110.6 | I671 | K669-I671 PolarHBondContact O-N 2.93Š|
| 670 | V | 24.8 | Very low | 24.5 | Very low | 140 Ų | 140 | 147.2 Ų | 147.2 | 85% | 0.848 | 79% | 0.793 | S | S | * | * | | | trans | -60.4 | 106.7 | 160.2 | 176 | 0 | 0 | 0 | 0 | 106.9 | A672 | V670-A672 HydrophobicContact CG1-CB 4.46Š|
| 671 | I | 27.2 | Very low | 24.7 | Very low | 132 Ų | 132 | 148.9 Ų | 148.9 | 68% | 0.677 | 79% | 0.792 | S | S | * | * | | | trans | -103.9 | 91.7 | 164.3 | -60.7 | 178.4 | 0 | 0 | 0 | 106.2 | K669 N673 | K669-I671 PolarHBondContact O-N 2.93Å; I671-N673 VanDerWaalsContact C-N 3.31Å; I671-N673 HydrophobicContact CG2-CB 4.3Å; I671-N673 PolarHBondContact O-N 2.84Å; I671-N673 VanDerWaalsContact O-N 3.13Å |
| 672 | A | 21.7 | Very low | 24.4 | Very low | 88 Ų | 88 | 149.7 Ų | 149.7 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | | | trans | -73.6 | 84.4 | 165.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | V670 | V670-A672 HydrophobicContact CG1-CB 4.46Š|
| 673 | N | 28.2 | Very low | 24.5 | Very low | 126 Ų | 126 | 142.5 Ų | 142.5 | 67% | 0.674 | 79% | 0.786 | S | S | * | * | | | trans | -106.3 | 98.7 | 165.1 | -83.6 | 1.7 | 0 | 0 | 0 | 108.6 | I671 F675 | I671-N673 VanDerWaalsContact C-N 3.31Å; I671-N673 HydrophobicContact CG2-CB 4.3Å; I671-N673 PolarHBondContact O-N 2.84Å; I671-N673 VanDerWaalsContact O-N 3.13Å; N673-F675 PolarHBondContact O-N 2.94Å; N673-F675 VanDerWaalsContact O-N 3.16Å |
| 674 | G | 22.2 | Very low | 24.4 | Very low | 79 Ų | 79 | 137.2 Ų | 137.2 | 81% | 0.814 | 78% | 0.78 | S | S | * | * | | | trans | -60 | 111.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 675 | F | 25.9 | Very low | 24.5 | Very low | 197 Ų | 197 | 137.8 Ų | 137.8 | 86% | 0.864 | 78% | 0.778 | S | S | * | * | | | trans | -92.3 | 117.4 | 162.5 | -96.4 | -90.9 | 0 | 0 | 0 | 108.8 | N673 | N673-F675 PolarHBondContact O-N 2.94Å; N673-F675 VanDerWaalsContact O-N 3.16Å |
| 676 | K | 24.9 | Very low | 24.5 | Very low | 196 Ų | 196 | 136 Ų | 136 | 85% | 0.852 | 77% | 0.772 | S | S | * | * | | | trans | -57.7 | 132.8 | -178 | -72.9 | 174.4 | 174.9 | 176.8 | 0 | 110.9 | S678 | K676-S678 PolarHBondContact O-N 2.95Å; K676-S678 VanDerWaalsContact O-N 3.08Å |
| 677 | I | 24 | Very low | 24.3 | Very low | 164 Ų | 164 | 136 Ų | 136 | 84% | 0.841 | 77% | 0.769 | S | S | * | * | | | trans | -62 | 101.3 | 168.2 | -62.7 | 158.3 | 0 | 0 | 0 | 107.8 | | |
| 678 | S | 24.7 | Very low | 24.3 | Very low | 111 Ų | 111 | 138.3 Ų | 138.3 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | | | trans | -80.9 | 129.8 | 162.3 | 53.8 | 0 | 0 | 0 | 0 | 108.6 | K676 | K676-S678 PolarHBondContact O-N 2.95Å; K676-S678 VanDerWaalsContact O-N 3.08Å |
| 679 | Q | 23.5 | Very low | 23.8 | Very low | 171 Ų | 171 | 139.9 Ų | 139.9 | 80% | 0.799 | 77% | 0.774 | S | S | * | * | | | trans | -53.5 | 144.7 | -172 | -68.1 | 174.6 | -27.1 | 0 | 0 | 113.7 | I681 | Q679-I681 PolarHBondContact O-N 3.45Å; Q679-I681 VanDerWaalsContact O-N 3.15Å |
| 680 | P | 25.4 | Very low | 23.5 | Very low | 126 Ų | 126 | 134.9 Ų | 134.9 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | | | trans | -67.8 | 110.4 | 174.7 | 26.6 | -31.2 | 0 | 0 | 0 | 109.7 | S682 | P680-S682 PolarHBondContact O-N 2.96Š|
| 681 | I | 25 | Very low | 23.4 | Very low | 156 Ų | 156 | 133.6 Ų | 133.6 | 80% | 0.8 | 76% | 0.761 | S | S | * | * | | | trans | -65.6 | 107.8 | 170.3 | -62.9 | 170.8 | 0 | 0 | 0 | 107.3 | Q679 S683 | Q679-I681 PolarHBondContact O-N 3.45Å; Q679-I681 VanDerWaalsContact O-N 3.15Å; I681-S683 VanDerWaalsContact C-N 3.33Å; I681-S683 PolarHBondContact O-N 3.27Å |
| 682 | S | 20.9 | Very low | 23.2 | Very low | 118 Ų | 118 | 132 Ų | 132 | 83% | 0.825 | 76% | 0.761 | S | S | * | * | | | trans | -58.7 | 91.8 | 163 | 164.1 | 0 | 0 | 0 | 0 | 109.2 | P680 | P680-S682 PolarHBondContact O-N 2.96Š|
| 683 | S | 24.1 | Very low | 23.4 | Very low | 79 Ų | 79 | 135.1 Ų | 135.1 | 55% | 0.552 | 77% | 0.765 | S | S | * | * | | | trans | -120.2 | 91.9 | 159.7 | 64.1 | 0 | 0 | 0 | 0 | 108.2 | I681 N685 | I681-S683 VanDerWaalsContact C-N 3.33Å; I681-S683 PolarHBondContact O-N 3.27Å; S683-N685 PolarHBondContact O-N 2.91Å |
| 684 | S | 21.9 | Very low | 23 | Very low | 97 Ų | 97 | 133.7 Ų | 133.7 | 68% | 0.678 | 76% | 0.764 | S | S | * | * | | | trans | -54.6 | 75.3 | 158.4 | 155.9 | 0 | 0 | 0 | 0 | 109.4 | H686 | S684-H686 VanDerWaalsContact C-N 3.33Å; S684-H686 PolarHBondContact O-N 3.1Å |
| 685 | N | 22.7 | Very low | 23 | Very low | 133 Ų | 133 | 137.6 Ų | 137.6 | 71% | 0.711 | 77% | 0.766 | S | S | * | * | | | trans | -90.9 | 84.4 | 158.8 | -74.7 | -21.3 | 0 | 0 | 0 | 105.7 | S683 M687 | S683-N685 PolarHBondContact O-N 2.91Å; N685-M687 PolarHBondContact O-N 3.25Å |
| 686 | H | 21.6 | Very low | 22.8 | Very low | 169 Ų | 169 | 133.5 Ų | 133.5 | 78% | 0.782 | 76% | 0.757 | S | S | * | * | | | trans | -59.8 | 79.5 | 153.3 | -91.8 | -79 | 0 | 0 | 0 | 106.7 | S684 N688 | S684-H686 VanDerWaalsContact C-N 3.33Å; S684-H686 PolarHBondContact O-N 3.1Å; H686-N688 VanDerWaalsContact C-N 3.27Å; H686-N688 PolarHBondContact O-N 2.76Å |
| 687 | M | 21.4 | Very low | 22.6 | Very low | 157 Ų | 157 | 129.5 Ų | 129.5 | 77% | 0.773 | 75% | 0.749 | S | S | * | * | | | trans | -60 | 102.4 | 160.1 | -82.3 | -86.2 | -81.8 | 0 | 0 | 104.8 | N685 I689 | N685-M687 PolarHBondContact O-N 3.25Å; M687-I689 PolarHBondContact O-N 3.26Å |
| 688 | N | 22.2 | Very low | 22.5 | Very low | 158 Ų | 158 | 127 Ų | 127 | 85% | 0.845 | 74% | 0.736 | S | S | * | * | | | trans | -52.9 | 88.5 | 160.6 | -87.8 | -28.3 | 0 | 0 | 0 | 106.7 | H686 S690 | H686-N688 VanDerWaalsContact C-N 3.27Å; H686-N688 PolarHBondContact O-N 2.76Å; N688-S690 PolarHBondContact O-N 2.8Å |
| 689 | I | 20.1 | Very low | 22.4 | Very low | 145 Ų | 145 | 128.8 Ų | 128.8 | 74% | 0.744 | 74% | 0.737 | S | S | * | * | | | trans | -68.8 | 97.3 | 164.6 | -61.4 | 171.9 | 0 | 0 | 0 | 103.5 | M687 S691 | M687-I689 PolarHBondContact O-N 3.26Å; I689-S691 PolarHBondContact O-N 2.96Å |
| 690 | S | 21.9 | Very low | 22.4 | Very low | 90 Ų | 90 | 127 Ų | 127 | 63% | 0.629 | 73% | 0.729 | S | S | * | * | | | trans | -48.8 | 111.9 | 165.6 | 53.6 | 0 | 0 | 0 | 0 | 106.7 | N688 S692 | N688-S690 PolarHBondContact O-N 2.8Å; S690-S692 PolarHBondContact O-N 2.86Å |
| 691 | S | 22.2 | Very low | 22.6 | Very low | 113 Ų | 113 | 126.7 Ų | 126.7 | 79% | 0.79 | 73% | 0.729 | S | S | * | * | | | trans | -71.1 | 67.4 | 172.6 | 59.3 | 0 | 0 | 0 | 0 | 108.7 | I689 L693 | I689-S691 PolarHBondContact O-N 2.96Å; S691-L693 PolarHBondContact O-N 3.07Å |
| 692 | S | 23.6 | Very low | 22.7 | Very low | 98 Ų | 98 | 124.1 Ų | 124.1 | 69% | 0.685 | 73% | 0.731 | S | S | * | * | | | trans | -89.5 | 44 | 159.8 | 67.6 | 0 | 0 | 0 | 0 | 108.6 | S690 C694 | S690-S692 PolarHBondContact O-N 2.86Å; S692-C694 PolarHBondContact O-N 2.78Å |
| 693 | L | 24.3 | Very low | 23 | Very low | 155 Ų | 155 | 120.8 Ų | 120.8 | 81% | 0.812 | 72% | 0.716 | S | S | * | * | | | trans | -83 | 82.6 | 166.8 | -97.8 | 145 | 0 | 0 | 0 | 106.7 | S691 | S691-L693 PolarHBondContact O-N 3.07Š|
| 694 | C | 21.4 | Very low | 23.2 | Very low | 95 Ų | 95 | 126.5 Ų | 126.5 | 64% | 0.642 | 73% | 0.725 | S | S | * | * | | | trans | 39.6 | 100.2 | 143 | -54.3 | 0 | 0 | 0 | 0 | 114.9 | S692 T696 | S692-C694 PolarHBondContact O-N 2.78Å; C694-T696 PolarHBondContact O-N 2.8Å; C694-T696 PolarHBondContact O-OG1 2.93Å |
| 695 | N | 21.4 | Very low | 23.3 | Very low | 162 Ų | 162 | 130 Ų | 130 | 87% | 0.866 | 73% | 0.731 | S | S | * | * | | | trans | -47.1 | 88 | 149.3 | -77 | -14.3 | 0 | 0 | 0 | 108.6 | T697 | N695-T697 PolarHBondContact O-N 2.99Å; N695-T697 VanDerWaalsContact O-N 3.12Å |
| 696 | T | 20.9 | Very low | 23.6 | Very low | 111 Ų | 111 | 130.2 Ų | 130.2 | 68% | 0.681 | 73% | 0.731 | S | S | * | * | | | trans | -85.8 | 85.2 | 168.2 | -36.2 | 0 | 0 | 0 | 0 | 103.6 | C694 I698 | C694-T696 PolarHBondContact O-N 2.8Å; C694-T696 PolarHBondContact O-OG1 2.93Å; T696-I698 HydrophobicContact CG2-CG1 4.38Å; T696-I698 PolarHBondContact O-N 2.82Å |
| 697 | T | 21.6 | Very low | 23.9 | Very low | 111 Ų | 111 | 128.5 Ų | 128.5 | 68% | 0.681 | 73% | 0.727 | S | S | * | * | | | trans | -65.7 | 88.1 | 172.3 | -38.8 | 0 | 0 | 0 | 0 | 106.3 | N695 N699 | N695-T697 PolarHBondContact O-N 2.99Å; N695-T697 VanDerWaalsContact O-N 3.12Å; T697-N699 VanDerWaalsContact C-N 3.33Å; T697-N699 PolarHBondContact O-N 3.32Å |
| 698 | I | 22.3 | Very low | 24.3 | Very low | 111 Ų | 111 | 128 Ų | 128 | 57% | 0.569 | 73% | 0.727 | S | S | * | * | | | trans | -71.6 | 99.6 | 172.3 | -59.2 | 174.9 | 0 | 0 | 0 | 105.1 | T696 H700 | T696-I698 HydrophobicContact CG2-CG1 4.38Å; T696-I698 PolarHBondContact O-N 2.82Å; I698-H700 WeakPolarHBondContact CG2-CE1 3.23Å; I698-H700 WeakPolarHBondContact CG2-NE2 3.41Å; I698-H700 PolarHBondContact O-CD2 2.77Å; I698-H700 PolarHBondContact O-N 3.03Å |
| 699 | N | 22.4 | Very low | 24.4 | Very low | 150 Ų | 150 | 123.3 Ų | 123.3 | 80% | 0.802 | 72% | 0.716 | S | S | * | * | | | trans | -62.1 | 86.3 | 171.8 | -80.5 | -25.3 | 0 | 0 | 0 | 108.5 | T697 S701 | T697-N699 VanDerWaalsContact C-N 3.33Å; T697-N699 PolarHBondContact O-N 3.32Å; N699-S701 PolarHBondContact O-N 3.35Å |
| 700 | H | 23.8 | Very low | 24.8 | Very low | 134 Ų | 134 | 122.1 Ų | 122.1 | 62% | 0.62 | 72% | 0.719 | S | S | * | * | | | trans | -73.1 | 110.3 | 165.6 | -65.6 | -66.3 | 0 | 0 | 0 | 107.5 | I698 A702 G703 | I698-H700 WeakPolarHBondContact CG2-CE1 3.23Å; I698-H700 WeakPolarHBondContact CG2-NE2 3.41Å; I698-H700 PolarHBondContact O-CD2 2.77Å; I698-H700 PolarHBondContact O-N 3.03Å; H700-A702 PolarHBondContact O-N 3.09Å; H700-G703 PolarHBondContact O-N 2.83Å |
| 701 | S | 28.2 | Very low | 25.1 | Very low | 118 Ų | 118 | 125 Ų | 125 | 83% | 0.825 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -48.4 | 112.1 | 160 | 52.1 | 0 | 0 | 0 | 0 | 108.2 | N699 G703 | N699-S701 PolarHBondContact O-N 3.35Å; S701-G703 PolarHBondContact O-N 3.14Å |
| 702 | A | 28.5 | Very low | 25.5 | Very low | 102 Ų | 102 | 126 Ų | 126 | 84% | 0.843 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 58.6 | 42.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | H700 | H700-A702 PolarHBondContact O-N 3.09Š|
| 703 | G | 25.8 | Very low | 26 | Very low | 48 Ų | 48 | 128.8 Ų | 128.8 | 50% | 0.495 | 73% | 0.73 | S | S | . | * | | | trans | -84.1 | 130.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | H700 S701 E705 | H700-G703 PolarHBondContact O-N 2.83Å; S701-G703 PolarHBondContact O-N 3.14Å; G703-E705 PolarHBondContact O-N 3.46Å |
| 704 | W | 29 | Very low | 26.5 | Very low | 199 Ų | 199 | 131.5 Ų | 131.5 | 75% | 0.754 | 74% | 0.735 | S | S | * | * | | | trans | -63.7 | 121.7 | -179.3 | -56.9 | 75.5 | 0 | 0 | 0 | 112.1 | I706 | W704-I706 PolarHBondContact O-N 2.67Š|
| 705 | E | 23.9 | Very low | 26.8 | Very low | 171 Ų | 171 | 131.5 Ų | 131.5 | 80% | 0.799 | 74% | 0.736 | S | S | * | * | | | trans | -81.6 | 101.5 | 168 | -164.6 | 176.9 | -157.6 | 0 | 0 | 108.7 | G703 N707 | G703-E705 PolarHBondContact O-N 3.46Å; E705-N707 VanDerWaalsContact C-N 3.34Å; E705-N707 PolarHBondContact O-N 2.74Å; E705-N707 VanDerWaalsContact O-N 3.08Å |
| 706 | I | 28.7 | Very low | 27.3 | Very low | 138 Ų | 138 | 131.5 Ų | 131.5 | 71% | 0.708 | 74% | 0.735 | S | S | * | * | | | trans | -77.3 | 94.3 | 168.3 | -59 | 175.3 | 0 | 0 | 0 | 106.4 | W704 L708 | W704-I706 PolarHBondContact O-N 2.67Å; I706-L708 HydrophobicContact CG2-CD2 3.97Å; I706-L708 HydrophobicContact CG2-CG 4.29Å; I706-L708 PolarHBondContact O-N 2.66Å |
| 707 | N | 27.6 | Very low | 27.7 | Very low | 132 Ų | 132 | 131.4 Ų | 131.4 | 71% | 0.706 | 74% | 0.736 | S | S | * | * | | | trans | -69 | 96.2 | 172.4 | -135 | -40.7 | 0 | 0 | 0 | 108 | E705 G709 | E705-N707 VanDerWaalsContact C-N 3.34Å; E705-N707 PolarHBondContact O-N 2.74Å; E705-N707 VanDerWaalsContact O-N 3.08Å; N707-G709 PolarHBondContact O-N 3Å |
| 708 | L | 29.9 | Very low | 28.1 | Very low | 147 Ų | 147 | 131 Ų | 131 | 77% | 0.77 | 73% | 0.734 | S | S | * | * | | | trans | -71.8 | 79.1 | 172.6 | -66.2 | 172.2 | 0 | 0 | 0 | 107.4 | I706 C710 | I706-L708 HydrophobicContact CG2-CD2 3.97Å; I706-L708 HydrophobicContact CG2-CG 4.29Å; I706-L708 PolarHBondContact O-N 2.66Å; L708-C710 PolarHBondContact O-N 2.81Å |
| 709 | G | 25.4 | Very low | 28.4 | Very low | 60 Ų | 60 | 136.8 Ų | 136.8 | 62% | 0.619 | 75% | 0.748 | S | S | * | * | | | trans | -48.7 | 126.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | N707 I711 | N707-G709 PolarHBondContact O-N 3Å; G709-I711 PolarHBondContact O-N 3.19Å |
| 710 | C | 27.8 | Very low | 28.6 | Very low | 119 Ų | 119 | 138.4 Ų | 138.4 | 80% | 0.804 | 75% | 0.745 | S | S | * | * | | | trans | -47.8 | 127 | -175.7 | -61.6 | 0 | 0 | 0 | 0 | 110.5 | L708 N712 | L708-C710 PolarHBondContact O-N 2.81Å; C710-N712 VanDerWaalsContact C-N 3.26Å; C710-N712 PolarHBondContact O-N 3.24Å |
| 711 | I | 29.1 | Very low | 28.7 | Very low | 152 Ų | 152 | 139.5 Ų | 139.5 | 78% | 0.779 | 75% | 0.754 | S | S | * | * | | | trans | -66.1 | 85.3 | -179.8 | -59 | 166.2 | 0 | 0 | 0 | 107.9 | G709 | G709-I711 PolarHBondContact O-N 3.19Š|
| 712 | N | 29.7 | Very low | 28.7 | Very low | 133 Ų | 133 | 140 Ų | 140 | 71% | 0.711 | 75% | 0.746 | S | S | * | * | | | trans | -77.9 | 123.7 | 160.2 | -91 | -16.4 | 0 | 0 | 0 | 107.1 | C710 K714 S715 | C710-N712 VanDerWaalsContact C-N 3.26Å; C710-N712 PolarHBondContact O-N 3.24Å; N712-K714 PolarHBondContact O-N 3.23Å; N712-S715 PolarHBondContact O-N 3.24Å |
| 713 | N | 34.1 | Very low | 28.7 | Very low | 157 Ų | 157 | 139.2 Ų | 139.2 | 84% | 0.84 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.6 | 22.1 | -165.8 | -78.7 | -26.7 | 0 | 0 | 0 | 118.1 | | |
| 714 | K | 34.4 | Very low | 29.3 | Very low | 212 Ų | 212 | 142.5 Ų | 142.5 | 92% | 0.922 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137 | 1.2 | -178.5 | -67.1 | -171.5 | 178.4 | 179.4 | 0 | 115.7 | N712 | N712-K714 PolarHBondContact O-N 3.23Š|
| 715 | S | 28 | Very low | 29.6 | Very low | 94 Ų | 94 | 140.2 Ų | 140.2 | 66% | 0.657 | 75% | 0.745 | S | S | * | * | | | trans | -139.6 | 114.8 | 176.4 | 57.9 | 0 | 0 | 0 | 0 | 111.2 | N712 | N712-S715 PolarHBondContact O-N 3.24Š|
| 716 | L | 31.3 | Very low | 30 | Very low | 162 Ų | 162 | 134.9 Ų | 134.9 | 85% | 0.848 | 73% | 0.727 | S | S | * | * | | | trans | -64.2 | 144.5 | 167.9 | -76.6 | 165.3 | 0 | 0 | 0 | 109 | T718 | L716-T718 PolarHBondContact O-N 3.4Š|
| 717 | P | 30.4 | Very low | 30.3 | Very low | 109 Ų | 109 | 134.9 Ų | 134.9 | 71% | 0.708 | 73% | 0.728 | S | S | * | * | | | trans | -65.5 | 109 | -173.8 | 24.1 | -31.7 | 0 | 0 | 0 | 110.6 | R719 | P717-R719 PolarHBondContact O-N 2.93Å; P717-R719 VanDerWaalsContact O-N 3.08Å |
| 718 | T | 30.4 | Very low | 30.6 | Very low | 102 Ų | 102 | 137.9 Ų | 137.9 | 63% | 0.626 | 74% | 0.735 | S | S | * | * | | | trans | -66.5 | 102.7 | 164.1 | 10.2 | 0 | 0 | 0 | 0 | 107.8 | L716 Y720 | L716-T718 PolarHBondContact O-N 3.4Å; T718-Y720 HydrophobicContact CG2-CE2 4.16Å; T718-Y720 PolarHBondContact O-N 3.2Å |
| 719 | R | 28.2 | Very low | 30.7 | Very low | 233 Ų | 233 | 140.3 Ų | 140.3 | 88% | 0.879 | 74% | 0.736 | S | S | * | * | | | trans | -70.9 | 99.1 | 173.7 | -66.7 | -173.1 | -126.3 | -127.4 | 1.5 | 108.9 | P717 | P717-R719 PolarHBondContact O-N 2.93Å; P717-R719 VanDerWaalsContact O-N 3.08Å |
| 720 | Y | 26.2 | Very low | 30.7 | Very low | 185 Ų | 185 | 147.6 Ų | 147.6 | 73% | 0.725 | 74% | 0.744 | S | S | * | * | | | trans | -91.6 | 112.1 | 161.9 | -61.5 | -77.1 | 0 | 0 | 0 | 108.1 | T718 I722 | T718-Y720 HydrophobicContact CG2-CE2 4.16Å; T718-Y720 PolarHBondContact O-N 3.2Å; Y720-I722 PolarHBondContact O-N 3.28Å |
| 721 | L | 27.2 | Very low | 30.6 | Very low | 156 Ų | 156 | 152.6 Ų | 152.6 | 82% | 0.817 | 75% | 0.746 | S | S | * | * | | | trans | -79.8 | 103.8 | 164.2 | -73.7 | 165.6 | 0 | 0 | 0 | 106.7 | P723 | L721-P723 WeakPolarHBondContact O-CD 3.4Š|
| 722 | I | 26.8 | Very low | 30.5 | Very low | 128 Ų | 128 | 150.5 Ų | 150.5 | 66% | 0.656 | 74% | 0.743 | S | S | * | * | | | trans | -94.2 | 115.8 | 169.6 | -56.4 | 176.9 | 0 | 0 | 0 | 106.7 | Y720 V724 | Y720-I722 PolarHBondContact O-N 3.28Å; I722-V724 PolarHBondContact O-N 3.19Å |
| 723 | P | 28.9 | Very low | 30.4 | Very low | 87 Ų | 87 | 150.9 Ų | 150.9 | 57% | 0.565 | 74% | 0.743 | S | S | * | * | | | trans | -65.8 | 120.7 | 171.9 | -14.1 | 28 | 0 | 0 | 0 | 109.3 | L721 D725 | L721-P723 WeakPolarHBondContact O-CD 3.4Å; P723-D725 PolarHBondContact O-N 3.1Å |
| 724 | V | 37.3 | Very low | 30 | Very low | 116 Ų | 116 | 154.7 Ų | 154.7 | 70% | 0.703 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.2 | -21.1 | -176.3 | -178.7 | 0 | 0 | 0 | 0 | 112.2 | I722 | I722-V724 PolarHBondContact O-N 3.19Š|
| 725 | D | 35.7 | Very low | 29.5 | Very low | 152 Ų | 152 | 146.7 Ų | 146.7 | 81% | 0.813 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.8 | 11.3 | -171.7 | -66.7 | -28.5 | 0 | 0 | 0 | 115.8 | P723 N727 | P723-D725 PolarHBondContact O-N 3.1Å; D725-N727 PolarHBondContact O-N 3.09Å |
| 726 | S | 33.2 | Very low | 29.6 | Very low | 59 Ų | 59 | 147.7 Ų | 147.7 | 41% | 0.413 | 73% | 0.727 | S | S | . | * | G | 310 helix | trans | -81.5 | 46.2 | 175.8 | 79.4 | 0 | 0 | 0 | 0 | 113.2 | K728 Y729 | S726-K728 PolarHBondContact O-N 3.13Å; S726-Y729 PolarHBondContact O-N 3.37Å |
| 727 | N | 34 | Very low | 29.3 | Very low | 137 Ų | 137 | 147.9 Ų | 147.9 | 73% | 0.733 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -65.1 | -13.6 | 167.4 | -86.1 | -24.9 | 0 | 0 | 0 | 112.4 | D725 | D725-N727 PolarHBondContact O-N 3.09Š|
| 728 | K | 34.9 | Very low | 29.1 | Very low | 195 Ų | 195 | 149.9 Ų | 149.9 | 85% | 0.848 | 73% | 0.727 | S | S | * | * | G | 310 helix | trans | -80.2 | -11.1 | 176 | -74.6 | -173.3 | 177.9 | 179.7 | 0 | 115.3 | S726 | S726-K728 PolarHBondContact O-N 3.13Š|
| 729 | Y | 31.3 | Very low | 29 | Very low | 199 Ų | 199 | 151.1 Ų | 151.1 | 78% | 0.78 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -123.5 | 16.6 | -179.4 | -63.1 | -72.1 | 0 | 0 | 0 | 114.3 | S726 R731 | S726-Y729 PolarHBondContact O-N 3.37Å; Y729-R731 PolarHBondContact O-N 3.31Å |
| 730 | R | 26.3 | Very low | 28.8 | Very low | 213 Ų | 213 | 144.5 Ų | 144.5 | 80% | 0.804 | 72% | 0.718 | S | S | * | * | | | trans | -74.1 | 73.4 | 167.9 | -134.1 | -177.6 | -168.9 | -160.3 | 3.9 | 108.5 | P732 | R730-P732 WeakPolarHBondContact O-CD 3.47Š|
| 731 | R | 25.5 | Very low | 28.9 | Very low | 224 Ų | 224 | 141.3 Ų | 141.3 | 85% | 0.845 | 72% | 0.722 | S | S | * | * | | | trans | -66.9 | 113.3 | 157.2 | -75.2 | -170 | -172.5 | -173.9 | 3.1 | 105.3 | Y729 I733 | Y729-R731 PolarHBondContact O-N 3.31Å; R731-I733 PolarHBondContact O-N 3Å |
| 732 | P | 27.7 | Very low | 29 | Very low | 108 Ų | 108 | 142.3 Ų | 142.3 | 70% | 0.701 | 72% | 0.723 | S | S | * | * | | | trans | -59.8 | 114.9 | 168.2 | 24.7 | -29.9 | 0 | 0 | 0 | 105.9 | R730 R734 | R730-P732 WeakPolarHBondContact O-CD 3.47Å; P732-R734 PolarHBondContact O-N 2.81Å |
| 733 | I | 26.4 | Very low | 28.9 | Very low | 140 Ų | 140 | 142.9 Ų | 142.9 | 72% | 0.718 | 73% | 0.727 | S | S | * | * | | | trans | -68.1 | 85 | 164.9 | -59.1 | 175.8 | 0 | 0 | 0 | 104.2 | R731 G735 F737 | R731-I733 PolarHBondContact O-N 3Å; I733-G735 PolarHBondContact O-N 3.06Å; I733-F737 HydrophobicContact CG2-CD2 4.33Å; I733-F737 HydrophobicContact CG2-CE2 4.14Å |
| 734 | R | 25.5 | Very low | 28.7 | Very low | 238 Ų | 238 | 147.1 Ų | 147.1 | 90% | 0.898 | 74% | 0.739 | S | S | * | * | | | trans | -67.7 | 116.5 | 169 | -107.8 | -173.8 | 177.2 | -176.7 | -0.2 | 105.8 | P732 | P732-R734 PolarHBondContact O-N 2.81Š|
| 735 | G | 24.7 | Very low | 28.1 | Very low | 44 Ų | 44 | 147.1 Ų | 147.1 | 45% | 0.454 | 75% | 0.745 | S | S | . | * | S | Bend | trans | 117.1 | 120.9 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | I733 F737 | I733-G735 PolarHBondContact O-N 3.06Å; G735-F737 PolarHBondContact O-N 3.24Å; G735-F737 VanDerWaalsContact O-N 3.14Å |
| 736 | P | 28.8 | Very low | 27.5 | Very low | 114 Ų | 114 | 149.1 Ų | 149.1 | 74% | 0.74 | 75% | 0.746 | S | S | * | * | | | trans | -54 | 123.1 | 160.6 | 25.2 | -30.4 | 0 | 0 | 0 | 106.4 | D738 | P736-D738 PolarHBondContact O-N 3.01Š|
| 737 | F | 26 | Very low | 27.1 | Very low | 167 Ų | 167 | 152.2 Ų | 152.2 | 73% | 0.732 | 76% | 0.763 | S | S | * | * | | | trans | -63.7 | 99.1 | 166.5 | -97.6 | -88.2 | 0 | 0 | 0 | 106 | I733 G735 I739 | I733-F737 HydrophobicContact CG2-CD2 4.33Å; I733-F737 HydrophobicContact CG2-CE2 4.14Å; G735-F737 PolarHBondContact O-N 3.24Å; G735-F737 VanDerWaalsContact O-N 3.14Å; F737-I739 HydrophobicContact CB-CD1 4.39Å; F737-I739 HydrophobicContact CB-CG1 4.02Å; F737-I739 PolarHBondContact O-N 2.67Å |
| 738 | D | 25.5 | Very low | 26.7 | Very low | 151 Ų | 151 | 154 Ų | 154 | 81% | 0.807 | 77% | 0.771 | S | S | * | * | | | trans | -62.9 | 75.3 | 162.2 | -81.3 | -30 | 0 | 0 | 0 | 107.4 | P736 S740 | P736-D738 PolarHBondContact O-N 3.01Å; D738-S740 PolarHBondContact O-N 2.99Å |
| 739 | I | 28.1 | Very low | 26.3 | Very low | 127 Ų | 127 | 151.9 Ų | 151.9 | 65% | 0.651 | 77% | 0.77 | S | S | * | * | | | trans | -81.3 | 86.3 | 163.3 | -50.2 | 179.3 | 0 | 0 | 0 | 104.1 | F737 S741 | F737-I739 HydrophobicContact CB-CD1 4.39Å; F737-I739 HydrophobicContact CB-CG1 4.02Å; F737-I739 PolarHBondContact O-N 2.67Å; I739-S741 PolarHBondContact O-N 3.07Å |
| 740 | S | 25.7 | Very low | 26 | Very low | 95 Ų | 95 | 151 Ų | 151 | 66% | 0.664 | 77% | 0.772 | S | S | * | * | | | trans | -43.7 | 134.6 | 167.9 | 55.7 | 0 | 0 | 0 | 0 | 109.6 | D738 Q742 | D738-S740 PolarHBondContact O-N 2.99Å; S740-Q742 VanDerWaalsContact C-N 3.33Å; S740-Q742 PolarHBondContact O-N 3.15Å |
| 741 | S | 27.6 | Very low | 25.9 | Very low | 117 Ų | 117 | 145.5 Ų | 145.5 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -51.9 | 85.7 | 179.2 | 54 | 0 | 0 | 0 | 0 | 111.9 | I739 | I739-S741 PolarHBondContact O-N 3.07Š|
| 742 | Q | 28.9 | Very low | 25.9 | Very low | 178 Ų | 178 | 143.4 Ų | 143.4 | 83% | 0.832 | 77% | 0.766 | S | S | * | * | | | trans | -157.2 | 1.4 | 166.4 | -115.9 | 170.7 | 41.7 | 0 | 0 | 116.6 | S740 | S740-Q742 VanDerWaalsContact C-N 3.33Å; S740-Q742 PolarHBondContact O-N 3.15Å |
| 743 | N | 24.7 | Very low | 25.9 | Very low | 140 Ų | 140 | 144.1 Ų | 144.1 | 75% | 0.749 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -106.8 | 108.9 | 173 | -73.9 | -41 | 0 | 0 | 0 | 110.8 | S745 | N743-S745 PolarHBondContact O-N 3.42Š|
| 744 | Q | 25.4 | Very low | 25.8 | Very low | 175 Ų | 175 | 143.4 Ų | 143.4 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | | | trans | -36.5 | 128.6 | 174.5 | -76 | 167.2 | -19.2 | 0 | 0 | 111.8 | F746 | Q744-F746 PolarHBondContact O-N 2.73Š|
| 745 | S | 24.2 | Very low | 25.7 | Very low | 117 Ų | 117 | 139.6 Ų | 139.6 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | | | trans | -43.9 | 105.9 | 166.2 | 45.8 | 0 | 0 | 0 | 0 | 110.4 | N743 T747 | N743-S745 PolarHBondContact O-N 3.42Å; S745-T747 PolarHBondContact O-N 3.27Å |
| 746 | F | 22.6 | Very low | 25.8 | Very low | 194 Ų | 194 | 146.6 Ų | 146.6 | 85% | 0.851 | 77% | 0.765 | S | S | * | * | | | trans | -67.8 | 113.2 | 166 | -70.6 | -83.3 | 0 | 0 | 0 | 107.2 | Q744 L748 | Q744-F746 PolarHBondContact O-N 2.73Å; F746-L748 PolarHBondContact O-N 2.93Å; F746-L748 VanDerWaalsContact O-N 3.09Å |
| 747 | T | 26.2 | Very low | 25.7 | Very low | 123 Ų | 123 | 146.5 Ų | 146.5 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | | | trans | -57.2 | 113.7 | 162.9 | 26.1 | 0 | 0 | 0 | 0 | 107.4 | S745 N749 | S745-T747 PolarHBondContact O-N 3.27Å; T747-N749 VanDerWaalsContact C-N 3.35Å; T747-N749 PolarHBondContact O-N 2.82Å |
| 748 | L | 24.5 | Very low | 26 | Very low | 174 Ų | 174 | 148.5 Ų | 148.5 | 91% | 0.911 | 77% | 0.773 | S | S | * | * | | | trans | -51.9 | 104.1 | 166 | -95.7 | 152.3 | 0 | 0 | 0 | 106.9 | F746 Q750 | F746-L748 PolarHBondContact O-N 2.93Å; F746-L748 VanDerWaalsContact O-N 3.09Å; L748-Q750 PolarHBondContact O-N 2.88Å; L748-Q750 VanDerWaalsContact O-N 3.14Å |
| 749 | N | 26.2 | Very low | 26.1 | Very low | 152 Ų | 152 | 146.7 Ų | 146.7 | 81% | 0.813 | 77% | 0.768 | S | S | * | * | | | trans | -50.3 | 123 | 176.9 | -91.7 | -37.1 | 0 | 0 | 0 | 108.1 | T747 S751 | T747-N749 VanDerWaalsContact C-N 3.35Å; T747-N749 PolarHBondContact O-N 2.82Å; N749-S751 PolarHBondContact O-N 3.3Å |
| 750 | Q | 25.5 | Very low | 26.1 | Very low | 179 Ų | 179 | 147.6 Ų | 147.6 | 84% | 0.836 | 77% | 0.772 | S | S | * | * | | | trans | -40.2 | 114.7 | 177.4 | -76.9 | 168.3 | -18.4 | 0 | 0 | 109.6 | L748 H752 | L748-Q750 PolarHBondContact O-N 2.88Å; L748-Q750 VanDerWaalsContact O-N 3.14Å; Q750-H752 PolarHBondContact O-N 2.84Å |
| 751 | S | 24.8 | Very low | 26.2 | Very low | 99 Ų | 99 | 147.9 Ų | 147.9 | 69% | 0.692 | 77% | 0.772 | S | S | * | * | | | trans | -52.9 | 117.2 | 165.9 | 50.7 | 0 | 0 | 0 | 0 | 107.4 | N749 I753 | N749-S751 PolarHBondContact O-N 3.3Å; S751-I753 PolarHBondContact O-N 3.28Å |
| 752 | H | 25.4 | Very low | 26.2 | Very low | 179 Ų | 179 | 149.8 Ų | 149.8 | 83% | 0.829 | 77% | 0.773 | S | S | * | * | | | trans | -56.5 | 104.7 | 172.8 | -69.9 | -82.2 | 0 | 0 | 0 | 108.4 | Q750 I754 | Q750-H752 PolarHBondContact O-N 2.84Å; H752-I754 PolarHBondContact O-N 2.87Å |
| 753 | I | 27.8 | Very low | 26 | Very low | 124 Ų | 124 | 144.4 Ų | 144.4 | 64% | 0.636 | 76% | 0.755 | S | S | * | * | | | trans | -72.9 | 96.8 | 173.9 | -59.5 | 175.4 | 0 | 0 | 0 | 105.9 | S751 H755 | S751-I753 PolarHBondContact O-N 3.28Å; I753-H755 WeakPolarHBondContact CG2-NE2 3.35Å; I753-H755 PolarHBondContact O-CD2 2.86Å; I753-H755 PolarHBondContact O-N 2.69Å |
| 754 | I | 24.6 | Very low | 26 | Very low | 124 Ų | 124 | 143.2 Ų | 143.2 | 64% | 0.636 | 76% | 0.756 | S | S | * | * | | | trans | -72.1 | 100 | 168.8 | -60.4 | 174.5 | 0 | 0 | 0 | 106.2 | H752 Y756 | H752-I754 PolarHBondContact O-N 2.87Å; I754-Y756 HydrophobicContact CG2-CE2 4.29Å; I754-Y756 PolarHBondContact O-N 3.15Å; I754-Y756 VanDerWaalsContact O-N 3.12Å |
| 755 | H | 23.6 | Very low | 26.1 | Very low | 158 Ų | 158 | 144.6 Ų | 144.6 | 73% | 0.731 | 76% | 0.755 | S | S | * | * | | | trans | -70.3 | 102 | 171.2 | -75.4 | -90.5 | 0 | 0 | 0 | 108.7 | I753 | I753-H755 WeakPolarHBondContact CG2-NE2 3.35Å; I753-H755 PolarHBondContact O-CD2 2.86Å; I753-H755 PolarHBondContact O-N 2.69Å |
| 756 | Y | 25.3 | Very low | 26.2 | Very low | 191 Ų | 191 | 145.8 Ų | 145.8 | 75% | 0.749 | 75% | 0.752 | S | S | * | * | | | trans | -66.9 | 129.9 | 161 | -65.6 | -82.6 | 0 | 0 | 0 | 108.1 | I754 K758 | I754-Y756 HydrophobicContact CG2-CE2 4.29Å; I754-Y756 PolarHBondContact O-N 3.15Å; I754-Y756 VanDerWaalsContact O-N 3.12Å; Y756-K758 PolarHBondContact O-N 3.19Å |
| 757 | P | 26.3 | Very low | 26.4 | Very low | 113 Ų | 113 | 142.8 Ų | 142.8 | 73% | 0.734 | 75% | 0.75 | S | S | * | * | | | trans | -56.3 | 124.3 | 174.6 | 20.4 | -29.4 | 0 | 0 | 0 | 109.3 | T759 | P757-T759 PolarHBondContact O-N 3.14Š|
| 758 | K | 32.2 | Very low | 26.4 | Very low | 209 Ų | 209 | 143.2 Ų | 143.2 | 91% | 0.909 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -76.1 | 17.4 | -167.7 | -131.4 | 179 | -173.8 | -177.8 | 0 | 114.2 | Y756 | Y756-K758 PolarHBondContact O-N 3.19Š|
| 759 | T | 29.3 | Very low | 26.5 | Very low | 112 Ų | 112 | 142.1 Ų | 142.1 | 69% | 0.687 | 74% | 0.742 | S | S | * | * | | | trans | -133.4 | 87.6 | -175 | 52.9 | 0 | 0 | 0 | 0 | 108.8 | P757 P761 | P757-T759 PolarHBondContact O-N 3.14Å; T759-P761 WeakPolarHBondContact O-CD 3.24Å |
| 760 | I | 28.1 | Very low | 26.6 | Very low | 147 Ų | 147 | 144.1 Ų | 144.1 | 75% | 0.754 | 74% | 0.744 | S | S | * | * | | | trans | -71.2 | 110.6 | 149.2 | -60.5 | 170.5 | 0 | 0 | 0 | 103.8 | N762 | I760-N762 PolarHBondContact O-N 3.11Š|
| 761 | P | 26.2 | Very low | 26.7 | Very low | 100 Ų | 100 | 142.9 Ų | 142.9 | 65% | 0.649 | 74% | 0.742 | S | S | * | * | | | trans | -61.6 | 116.3 | 172.4 | 23.2 | -28.7 | 0 | 0 | 0 | 107.5 | T759 S763 | T759-P761 WeakPolarHBondContact O-CD 3.24Å; P761-S763 PolarHBondContact O-N 2.82Å |
| 762 | N | 28 | Very low | 26.8 | Very low | 157 Ų | 157 | 142.3 Ų | 142.3 | 84% | 0.84 | 74% | 0.738 | S | S | * | * | | | trans | -68.4 | 43.5 | 173.7 | -78.2 | -24.7 | 0 | 0 | 0 | 111.8 | I760 C764 | I760-N762 PolarHBondContact O-N 3.11Å; N762-C764 PolarHBondContact O-N 3.12Å; N762-C764 VanDerWaalsContact O-N 3.12Å |
| 763 | S | 26 | Very low | 27 | Very low | 66 Ų | 66 | 144.4 Ų | 144.4 | 46% | 0.462 | 74% | 0.74 | S | S | . | * | | | trans | -87.7 | 65.3 | 171.5 | 48.1 | 0 | 0 | 0 | 0 | 109.5 | P761 Y765 | P761-S763 PolarHBondContact O-N 2.82Å; S763-Y765 WeakPolarHBondContact O-CD2 3.38Å; S763-Y765 PolarHBondContact O-N 3.32Å |
| 764 | C | 24.6 | Very low | 26.9 | Very low | 115 Ų | 115 | 148.3 Ų | 148.3 | 78% | 0.777 | 75% | 0.749 | S | S | * | * | | | trans | -62.8 | 96.9 | 148.9 | -68.3 | 0 | 0 | 0 | 0 | 105.9 | N762 L766 | N762-C764 PolarHBondContact O-N 3.12Å; N762-C764 VanDerWaalsContact O-N 3.12Å; C764-L766 VanDerWaalsContact C-N 3.26Å; C764-L766 PolarHBondContact O-N 2.86Å |
| 765 | Y | 26.2 | Very low | 27 | Very low | 203 Ų | 203 | 152 Ų | 152 | 80% | 0.796 | 76% | 0.76 | S | S | * | * | | | trans | -60.1 | 94.2 | 168.3 | -74.1 | -85.9 | 0 | 0 | 0 | 108 | S763 T767 | S763-Y765 WeakPolarHBondContact O-CD2 3.38Å; S763-Y765 PolarHBondContact O-N 3.32Å; Y765-T767 VanDerWaalsContact C-N 3.28Å; Y765-T767 PolarHBondContact O-N 3.37Å |
| 766 | L | 26.9 | Very low | 27 | Very low | 143 Ų | 143 | 150 Ų | 150 | 75% | 0.749 | 76% | 0.763 | S | S | * | * | | | trans | -64.1 | 94.8 | 159.2 | -91.5 | 148 | 0 | 0 | 0 | 106.6 | C764 N768 | C764-L766 VanDerWaalsContact C-N 3.26Å; C764-L766 PolarHBondContact O-N 2.86Å; L766-N768 PolarHBondContact O-N 2.98Å |
| 767 | T | 27.7 | Very low | 27.2 | Very low | 130 Ų | 130 | 146.2 Ų | 146.2 | 80% | 0.798 | 76% | 0.761 | S | S | * | * | | | trans | -68.7 | 69.8 | 170 | 52.7 | 0 | 0 | 0 | 0 | 109.8 | Y765 | Y765-T767 VanDerWaalsContact C-N 3.28Å; Y765-T767 PolarHBondContact O-N 3.37Å |
| 768 | N | 25.4 | Very low | 27.2 | Very low | 132 Ų | 132 | 148.9 Ų | 148.9 | 71% | 0.706 | 77% | 0.769 | S | S | * | * | | | trans | -115.2 | 15.2 | 173.9 | -86.6 | -7.7 | 0 | 0 | 0 | 113.1 | L766 K770 | L766-N768 PolarHBondContact O-N 2.98Å; N768-K770 PolarHBondContact O-N 3.03Å |
| 769 | N | 26.8 | Very low | 27 | Very low | 151 Ų | 151 | 147.4 Ų | 147.4 | 81% | 0.807 | 77% | 0.765 | S | S | * | * | | | trans | -95.8 | 102.5 | 175.6 | -74.4 | -12.8 | 0 | 0 | 0 | 109.6 | L771 | N769-L771 PolarHBondContact O-N 2.97Å; N769-L771 VanDerWaalsContact O-N 3.1Å |
| 770 | K | 28.8 | Very low | 27 | Very low | 194 Ų | 194 | 146.7 Ų | 146.7 | 84% | 0.843 | 77% | 0.765 | S | S | * | * | | | trans | -37.2 | 117.6 | 155.1 | -71.1 | 177 | 176 | 178.3 | 0 | 107.9 | N768 S772 | N768-K770 PolarHBondContact O-N 3.03Å; K770-S772 VanDerWaalsContact C-N 3.33Å; K770-S772 PolarHBondContact O-N 3.25Å |
| 771 | L | 26.9 | Very low | 26.9 | Very low | 154 Ų | 154 | 147.2 Ų | 147.2 | 81% | 0.806 | 77% | 0.768 | S | S | * | * | | | trans | -50.7 | 100.9 | 170.9 | -111.8 | 79.4 | 0 | 0 | 0 | 107.6 | N769 Y773 | N769-L771 PolarHBondContact O-N 2.97Å; N769-L771 VanDerWaalsContact O-N 3.1Å; L771-Y773 PolarHBondContact O-N 2.88Å |
| 772 | S | 27.8 | Very low | 27 | Very low | 86 Ų | 86 | 151 Ų | 151 | 60% | 0.601 | 78% | 0.777 | S | S | * | * | | | trans | -74.7 | 112 | 163.5 | -65.3 | 0 | 0 | 0 | 0 | 104.8 | K770 Y774 | K770-S772 VanDerWaalsContact C-N 3.33Å; K770-S772 PolarHBondContact O-N 3.25Å; S772-Y774 PolarHBondContact O-N 3.41Å |
| 773 | Y | 27.6 | Very low | 27.1 | Very low | 223 Ų | 223 | 151.5 Ų | 151.5 | 88% | 0.875 | 77% | 0.774 | S | S | * | * | | | trans | -57.5 | 87.1 | 170.2 | -81.6 | -97.6 | 0 | 0 | 0 | 108.6 | L771 K775 | L771-Y773 PolarHBondContact O-N 2.88Å; Y773-K775 PolarHBondContact O-N 2.85Å |
| 774 | Y | 26.9 | Very low | 27.1 | Very low | 207 Ų | 207 | 153.7 Ų | 153.7 | 81% | 0.812 | 79% | 0.79 | S | S | * | * | | | trans | -75.1 | 102.9 | 165 | -84.1 | -84.5 | 0 | 0 | 0 | 106.8 | S772 C776 | S772-Y774 PolarHBondContact O-N 3.41Å; Y774-C776 PolarHBondContact O-N 3.14Å; Y774-C776 VanDerWaalsContact O-N 3.11Å |
| 775 | K | 26 | Very low | 27.3 | Very low | 202 Ų | 202 | 154 Ų | 154 | 88% | 0.878 | 79% | 0.788 | S | S | * | * | | | trans | -53 | 113.6 | 159 | -86.4 | 179.1 | 171.8 | 178.9 | 0 | 106.7 | Y773 P777 | Y773-K775 PolarHBondContact O-N 2.85Å; K775-P777 WeakPolarHBondContact O-CD 3.25Å |
| 776 | C | 24 | Very low | 27.3 | Very low | 116 Ų | 116 | 153 Ų | 153 | 78% | 0.784 | 79% | 0.793 | S | S | * | * | | | trans | -53.2 | 124.3 | 169.3 | -72.9 | 0 | 0 | 0 | 0 | 108.4 | Y774 N778 | Y774-C776 PolarHBondContact O-N 3.14Å; Y774-C776 VanDerWaalsContact O-N 3.11Å; C776-N778 PolarHBondContact O-N 3.28Å |
| 777 | P | 29.1 | Very low | 27.4 | Very low | 110 Ų | 110 | 153.3 Ų | 153.3 | 71% | 0.714 | 79% | 0.794 | S | S | * | * | | | trans | -60 | 137.8 | 168.9 | -16 | 29.1 | 0 | 0 | 0 | 108.5 | K775 E779 | K775-P777 WeakPolarHBondContact O-CD 3.25Å; P777-E779 PolarHBondContact O-N 3.08Å |
| 778 | N | 27.5 | Very low | 27.5 | Very low | 169 Ų | 169 | 151.6 Ų | 151.6 | 90% | 0.904 | 79% | 0.787 | S | S | * | * | | | trans | -59.9 | 85.9 | 168.9 | -74 | -26.9 | 0 | 0 | 0 | 108.9 | C776 S780 | C776-N778 PolarHBondContact O-N 3.28Å; N778-S780 VanDerWaalsContact C-N 3.33Å; N778-S780 PolarHBondContact O-N 3.29Å |
| 779 | E | 28.1 | Very low | 27.6 | Very low | 178 Ų | 178 | 155.2 Ų | 155.2 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | | | trans | -72.8 | 98.8 | 164.5 | -78.7 | -173.8 | 173.2 | 0 | 0 | 107.1 | P777 I781 | P777-E779 PolarHBondContact O-N 3.08Å; E779-I781 PolarHBondContact O-N 3.22Å; E779-I781 VanDerWaalsContact O-N 3.11Å |
| 780 | S | 29 | Very low | 27.8 | Very low | 98 Ų | 98 | 153.7 Ų | 153.7 | 69% | 0.685 | 79% | 0.792 | S | S | * | * | | | trans | -45 | 115.6 | 165.8 | 51 | 0 | 0 | 0 | 0 | 109.1 | N778 Q782 | N778-S780 VanDerWaalsContact C-N 3.33Å; N778-S780 PolarHBondContact O-N 3.29Å; S780-Q782 VanDerWaalsContact C-N 3.35Å; S780-Q782 PolarHBondContact O-N 3.09Å |
| 781 | I | 25.3 | Very low | 27.8 | Very low | 157 Ų | 157 | 153.9 Ų | 153.9 | 81% | 0.805 | 79% | 0.793 | S | S | * | * | | | trans | -54.5 | 100.5 | 169.6 | -63.4 | 164.5 | 0 | 0 | 0 | 106.8 | E779 Q783 | E779-I781 PolarHBondContact O-N 3.22Å; E779-I781 VanDerWaalsContact O-N 3.11Å; I781-Q783 VanDerWaalsContact C-N 3.27Å; I781-Q783 HydrophobicContact CG2-CG 4.43Å; I781-Q783 PolarHBondContact O-N 3.16Å |
| 782 | Q | 29.1 | Very low | 28.1 | Very low | 180 Ų | 180 | 152.4 Ų | 152.4 | 84% | 0.841 | 79% | 0.791 | S | S | * | * | | | trans | -68.4 | 96.8 | 164.5 | -75.7 | -167.5 | -10.6 | 0 | 0 | 106 | S780 S784 | S780-Q782 VanDerWaalsContact C-N 3.35Å; S780-Q782 PolarHBondContact O-N 3.09Å; Q782-S784 PolarHBondContact O-N 3.29Å |
| 783 | Q | 28.4 | Very low | 28.1 | Very low | 168 Ų | 168 | 155 Ų | 155 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | | | trans | -56.4 | 104.4 | 165.5 | -76.8 | 179.8 | -13.2 | 0 | 0 | 107.2 | I781 T785 | I781-Q783 VanDerWaalsContact C-N 3.27Å; I781-Q783 HydrophobicContact CG2-CG 4.43Å; I781-Q783 PolarHBondContact O-N 3.16Å; Q783-T785 PolarHBondContact O-N 3.13Å; Q783-T785 PolarHBondContact O-OG1 3.39Å |
| 784 | S | 26.3 | Very low | 28.2 | Very low | 112 Ų | 112 | 151.8 Ų | 151.8 | 78% | 0.783 | 80% | 0.796 | S | S | * | * | | | trans | -65.6 | 91.6 | 170.6 | 66 | 0 | 0 | 0 | 0 | 107.6 | Q782 M786 | Q782-S784 PolarHBondContact O-N 3.29Å; S784-M786 PolarHBondContact O-N 3.2Å; S784-M786 VanDerWaalsContact O-N 3.14Å |
| 785 | T | 29.3 | Very low | 28.5 | Very low | 120 Ų | 120 | 147.7 Ų | 147.7 | 74% | 0.736 | 79% | 0.793 | S | S | * | * | | | trans | -65.2 | 114.2 | 167.3 | -17.1 | 0 | 0 | 0 | 0 | 105.6 | Q783 I787 | Q783-T785 PolarHBondContact O-N 3.13Å; Q783-T785 PolarHBondContact O-OG1 3.39Å; T785-I787 VanDerWaalsContact C-N 3.25Å; T785-I787 PolarHBondContact O-N 3.4Å |
| 786 | M | 25.4 | Very low | 28.9 | Very low | 183 Ų | 183 | 144.3 Ų | 144.3 | 90% | 0.901 | 79% | 0.789 | S | S | * | * | | | trans | -61.4 | 93.1 | 169.5 | -78.6 | -160.7 | -179.7 | 0 | 0 | 107.8 | S784 S788 | S784-M786 PolarHBondContact O-N 3.2Å; S784-M786 VanDerWaalsContact O-N 3.14Å; M786-S788 VanDerWaalsContact C-N 3.31Å; M786-S788 PolarHBondContact O-N 3.37Å |
| 787 | I | 30.9 | Very low | 29.2 | Very low | 150 Ų | 150 | 142.2 Ų | 142.2 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | | | trans | -74.9 | 95.7 | 168.9 | -60.1 | 172.3 | 0 | 0 | 0 | 105.7 | T785 K789 | T785-I787 VanDerWaalsContact C-N 3.25Å; T785-I787 PolarHBondContact O-N 3.4Å; I787-K789 PolarHBondContact O-N 3.42Å |
| 788 | S | 28.1 | Very low | 29.1 | Very low | 93 Ų | 93 | 143.8 Ų | 143.8 | 65% | 0.65 | 79% | 0.788 | S | S | * | * | | | trans | -49.7 | 120.8 | 166 | 43.6 | 0 | 0 | 0 | 0 | 109.2 | M786 T790 | M786-S788 VanDerWaalsContact C-N 3.31Å; M786-S788 PolarHBondContact O-N 3.37Å; S788-T790 VanDerWaalsContact C-N 3.31Å; S788-T790 PolarHBondContact O-N 3.44Å |
| 789 | K | 29 | Very low | 29.2 | Very low | 208 Ų | 208 | 143.1 Ų | 143.1 | 90% | 0.904 | 78% | 0.779 | S | S | * | * | | | trans | -57.9 | 87.6 | 174.6 | -66.9 | 176.1 | 177 | 178.5 | 0 | 110.3 | I787 K791 | I787-K789 PolarHBondContact O-N 3.42Å; K789-K791 PolarHBondContact O-N 3.41Å |
| 790 | T | 30.2 | Very low | 29.3 | Very low | 119 Ų | 119 | 146.5 Ų | 146.5 | 73% | 0.73 | 80% | 0.795 | S | S | * | * | | | trans | -76.6 | 105.2 | 161.4 | 25.2 | 0 | 0 | 0 | 0 | 107.5 | S788 T792 | S788-T790 VanDerWaalsContact C-N 3.31Å; S788-T790 PolarHBondContact O-N 3.44Å; T790-T792 PolarHBondContact O-N 3.28Å |
| 791 | K | 29.3 | Very low | 29.4 | Very low | 199 Ų | 199 | 149 Ų | 149 | 87% | 0.865 | 80% | 0.8 | S | S | * | * | | | trans | -47.9 | 102.3 | 162.1 | -76.1 | 175.5 | 171.6 | 179.3 | 0 | 108.3 | K789 | K789-K791 PolarHBondContact O-N 3.41Š|
| 792 | T | 31.9 | Very low | 29.6 | Very low | 122 Ų | 122 | 148.5 Ų | 148.5 | 75% | 0.748 | 80% | 0.8 | S | S | * | * | | | trans | -96.2 | 117.9 | 160.6 | 35.3 | 0 | 0 | 0 | 0 | 105.6 | T790 D794 | T790-T792 PolarHBondContact O-N 3.28Å; T792-D794 PolarHBondContact O-N 3.4Å |
| 793 | N | 29.6 | Very low | 29.6 | Very low | 140 Ų | 140 | 146.8 Ų | 146.8 | 75% | 0.749 | 80% | 0.797 | S | S | * | * | | | trans | -64.5 | 119.4 | 176.3 | -70.4 | -33.9 | 0 | 0 | 0 | 107.5 | T795 | N793-T795 PolarHBondContact O-N 3.13Š|
| 794 | D | 29.6 | Very low | 29.7 | Very low | 156 Ų | 156 | 145.5 Ų | 145.5 | 83% | 0.834 | 80% | 0.798 | S | S | * | * | | | trans | -64.2 | 82.6 | 163 | -72 | -38 | 0 | 0 | 0 | 108.2 | T792 T796 | T792-D794 PolarHBondContact O-N 3.4Å; D794-T796 VanDerWaalsContact C-N 3.34Å; D794-T796 PolarHBondContact O-N 3.3Å |
| 795 | T | 33.1 | Very low | 29.9 | Very low | 122 Ų | 122 | 147.6 Ų | 147.6 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | | | trans | -85.3 | 92.2 | 160 | -44.7 | 0 | 0 | 0 | 0 | 106.1 | N793 G797 | N793-T795 PolarHBondContact O-N 3.13Å; T795-G797 VanDerWaalsContact C-N 3.32Å; T795-G797 PolarHBondContact O-N 3.4Å |
| 796 | T | 33.7 | Very low | 29.9 | Very low | 130 Ų | 130 | 149.5 Ų | 149.5 | 80% | 0.798 | 80% | 0.803 | S | S | * | * | | | trans | -48.2 | 95.7 | 159.5 | 43.6 | 0 | 0 | 0 | 0 | 109.3 | D794 | D794-T796 VanDerWaalsContact C-N 3.34Å; D794-T796 PolarHBondContact O-N 3.3Å |
| 797 | G | 29.9 | Very low | 30.2 | Very low | 72 Ų | 72 | 147.1 Ų | 147.1 | 74% | 0.742 | 80% | 0.796 | S | S | * | * | | | trans | -112.8 | 103.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | T795 | T795-G797 VanDerWaalsContact C-N 3.32Å; T795-G797 PolarHBondContact O-N 3.4Å |
| 798 | I | 26.7 | Very low | 30.2 | Very low | 144 Ų | 144 | 146.8 Ų | 146.8 | 74% | 0.738 | 80% | 0.798 | S | S | * | * | | | trans | -64.1 | 141.6 | 175 | -60.6 | 156.6 | 0 | 0 | 0 | 109.9 | | |
| 799 | H | 29.4 | Very low | 30.4 | Very low | 155 Ų | 155 | 151.3 Ų | 151.3 | 72% | 0.718 | 81% | 0.811 | S | S | * | * | | | | 159.1 | 121.6 | 128.6 | -93.5 | -77.3 | 0 | 0 | 0 | 112.8 | | |
| 800 | H | 32 | Very low | 30.5 | Very low | 249 Ų | 249 | 146.2 Ų | 146.2 | 100% | 1.153 | 80% | 0.802 | S | S | * | * | | | trans | 54 | 0 | 156.4 | -65.6 | -55.9 | 0 | 0 | 0 | 121 | | |