| 1 | M | 34.8 | Very low | 46.9 | Very low | 249 Ų | 249 | 142.5 Ų | 142.5 | 100% | 1.227 | 82% | 0.82 | S | S | * | * | | | | 0 | 150.5 | 0 | -76.1 | 165.8 | 68.3 | 0 | 0 | 108.8 | | |
| 2 | S | 40.8 | Very low | 47 | Very low | 105 Ų | 105 | 136.9 Ų | 136.9 | 73% | 0.734 | 80% | 0.803 | S | S | * | * | | | trans | -77.2 | 152.3 | -163.7 | -30.9 | 0 | 0 | 0 | 0 | 114.8 | | |
| 3 | K | 47.3 | Very low | 46.9 | Very low | 205 Ų | 205 | 139.6 Ų | 139.6 | 89% | 0.891 | 81% | 0.806 | S | S | * | * | | | | 178.3 | 142.2 | 107.7 | -89.9 | 146.4 | -166 | -179.1 | 0 | 112.8 | | |
| 4 | S | 63.8 | Low | 46.1 | Very low | 118 Ų | 118 | 143.1 Ų | 143.1 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | | | trans | -85.4 | 165.7 | 177.5 | 44.5 | 0 | 0 | 0 | 0 | 112.7 | | |
| 5 | G | 43.8 | Very low | 46.8 | Very low | 73 Ų | 73 | 141.4 Ų | 141.4 | 75% | 0.753 | 81% | 0.812 | S | S | * | * | | | trans | -148.7 | 66.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 6 | T | 66.4 | Low | 47.1 | Very low | 114 Ų | 114 | 142.6 Ų | 142.6 | 70% | 0.699 | 81% | 0.814 | S | S | * | * | | | trans | -62.3 | 143.1 | 173.8 | -54.8 | 0 | 0 | 0 | 0 | 112 | | |
| 7 | W | 44.4 | Very low | 47.4 | Very low | 239 Ų | 239 | 140.1 Ų | 140.1 | 91% | 0.905 | 81% | 0.808 | S | S | * | * | | | trans | -130.4 | 148.7 | 149.8 | -76.2 | 97.4 | 0 | 0 | 0 | 111.1 | | |
| 8 | P | 51 | Low | 47.4 | Very low | 111 Ų | 111 | 141.4 Ų | 141.4 | 72% | 0.721 | 81% | 0.811 | S | S | * | * | | | trans | -111.3 | -169.5 | -164.1 | 43.8 | -34.7 | 0 | 0 | 0 | 112.3 | | |
| 9 | G | 36.5 | Very low | 47.8 | Very low | 54 Ų | 54 | 142.8 Ų | 142.8 | 56% | 0.557 | 81% | 0.812 | S | S | * | * | | | trans | 109.2 | 63.1 | 138.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | V11 | G9-V11 PolarHBondContact O-N 3.13Š|
| 10 | N | 43.4 | Very low | 47.7 | Very low | 160 Ų | 160 | 143.9 Ų | 143.9 | 86% | 0.856 | 82% | 0.815 | S | S | * | * | | | trans | -47 | 120.5 | 145.1 | 50.5 | -43.2 | 0 | 0 | 0 | 112 | | |
| 11 | V | 43.3 | Very low | 47.9 | Very low | 140 Ų | 140 | 141.9 Ų | 141.9 | 85% | 0.848 | 81% | 0.811 | S | S | * | * | | | trans | -130.2 | 129.4 | 154.6 | -74.7 | 0 | 0 | 0 | 0 | 109.1 | G9 | G9-V11 PolarHBondContact O-N 3.13Š|
| 12 | A | 48.3 | Very low | 48.7 | Very low | 75 Ų | 75 | 134 Ų | 134 | 62% | 0.62 | 79% | 0.785 | S | S | * | * | | | trans | -98.5 | 179.5 | 165.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 13 | M | 45.4 | Very low | 49.3 | Very low | 172 Ų | 172 | 132.3 Ų | 132.3 | 85% | 0.847 | 78% | 0.784 | S | S | * | * | | | trans | 66.7 | 142.3 | -167.8 | -4.7 | -48.8 | 169 | 0 | 0 | 111.9 | | |
| 14 | E | 36.9 | Very low | 49.2 | Very low | 189 Ų | 189 | 127.3 Ų | 127.3 | 88% | 0.883 | 78% | 0.775 | S | S | * | * | | | cis | -140 | 149.2 | 22.4 | -59.6 | 174.6 | 145.3 | 0 | 0 | 111.3 | | |
| 15 | S | 56.3 | Low | 48.6 | Very low | 117 Ų | 117 | 127.7 Ų | 127.7 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | | | trans | -73.3 | 141.4 | 167.3 | -62 | 0 | 0 | 0 | 0 | 110.7 | | |
| 16 | L | 51.5 | Low | 48.9 | Very low | 160 Ų | 160 | 129.9 Ų | 129.9 | 84% | 0.838 | 77% | 0.771 | S | S | * | * | | | trans | -175.6 | 130.1 | 132 | -99.2 | 165.2 | 0 | 0 | 0 | 111.8 | | |
| 17 | S | 52.6 | Low | 48.3 | Very low | 101 Ų | 101 | 129.9 Ų | 129.9 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | | | trans | 39 | 102.2 | 160.6 | 61.6 | 0 | 0 | 0 | 0 | 119.5 | | |
| 18 | N | 46.5 | Very low | 49 | Very low | 164 Ų | 164 | 123.3 Ų | 123.3 | 88% | 0.877 | 76% | 0.762 | S | S | * | * | | | trans | -149 | 87.8 | 144.4 | -101.9 | -39.2 | 0 | 0 | 0 | 111.9 | D20 | N18-D20 PolarHBondContact O-N 3.09Š|
| 19 | M | 55.3 | Low | 49.1 | Very low | 167 Ų | 167 | 125.5 Ų | 125.5 | 82% | 0.823 | 77% | 0.766 | S | S | * | * | | | trans | 31.6 | 79.2 | 146.8 | -151.6 | 85.2 | 77.3 | 0 | 0 | 117.9 | S21 | M19-S21 VanDerWaalsContact C-N 3.27Å; M19-S21 PolarHBondContact O-N 3.41Å |
| 20 | D | 45.1 | Very low | 49.5 | Very low | 164 Ų | 164 | 127.1 Ų | 127.1 | 88% | 0.877 | 77% | 0.769 | S | S | * | * | | | trans | -68.6 | 88.1 | 158.6 | -92.9 | -46.5 | 0 | 0 | 0 | 109.7 | N18 A22 | N18-D20 PolarHBondContact O-N 3.09Å; D20-A22 VanDerWaalsContact C-N 3.31Å |
| 21 | S | 52.1 | Low | 50.1 | Low | 103 Ų | 103 | 125.3 Ų | 125.3 | 72% | 0.72 | 76% | 0.763 | S | S | * | * | | | trans | -97.7 | 59.3 | 160 | -68.6 | 0 | 0 | 0 | 0 | 109.5 | M19 | M19-S21 VanDerWaalsContact C-N 3.27Å; M19-S21 PolarHBondContact O-N 3.41Å |
| 22 | A | 51.7 | Low | 50.6 | Low | 82 Ų | 82 | 125.5 Ų | 125.5 | 68% | 0.678 | 76% | 0.759 | S | S | * | * | | | trans | -61.5 | 135.2 | 165.3 | 0 | 0 | 0 | 0 | 0 | 109 | D20 S24 | D20-A22 VanDerWaalsContact C-N 3.31Å; A22-S24 PolarHBondContact O-N 3.04Å |
| 23 | G | 54.4 | Low | 51 | Low | 71 Ų | 71 | 125.9 Ų | 125.9 | 73% | 0.732 | 76% | 0.758 | S | S | * | * | | | trans | -61.8 | 107.6 | -163.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | C25 | G23-C25 PolarHBondContact O-N 2.92Š|
| 24 | S | 44.9 | Very low | 51.5 | Low | 100 Ų | 100 | 121.9 Ų | 121.9 | 70% | 0.699 | 75% | 0.752 | S | S | * | * | | | trans | -79.1 | 93.9 | 155.7 | -173.2 | 0 | 0 | 0 | 0 | 108.6 | A22 D26 | A22-S24 PolarHBondContact O-N 3.04Å; S24-D26 VanDerWaalsContact C-N 3.28Å |
| 25 | C | 51.5 | Low | 52.5 | Low | 126 Ų | 126 | 122 Ų | 122 | 85% | 0.851 | 74% | 0.744 | S | S | * | * | | | trans | -94.5 | 19.4 | 170.9 | -63.4 | 0 | 0 | 0 | 0 | 112.3 | G23 S27 | G23-C25 PolarHBondContact O-N 2.92Å; C25-S27 PolarHBondContact O-N 3.15Å |
| 26 | D | 48.8 | Very low | 52.4 | Low | 119 Ų | 119 | 120.6 Ų | 120.6 | 64% | 0.636 | 74% | 0.735 | S | S | * | * | | | trans | -97.4 | 62.8 | 168.8 | -166.8 | 32.2 | 0 | 0 | 0 | 110 | S24 V28 | S24-D26 VanDerWaalsContact C-N 3.28Å; D26-V28 PolarHBondContact O-N 3.23Å |
| 27 | S | 55 | Low | 52.6 | Low | 114 Ų | 114 | 119.6 Ų | 119.6 | 80% | 0.797 | 73% | 0.726 | S | S | * | * | | | trans | -79.3 | 72.8 | 162.8 | -62.8 | 0 | 0 | 0 | 0 | 108.6 | C25 I29 | C25-S27 PolarHBondContact O-N 3.15Å; S27-I29 PolarHBondContact O-N 3.21Å |
| 28 | V | 58.2 | Low | 52.9 | Low | 101 Ų | 101 | 119.3 Ų | 119.3 | 61% | 0.612 | 72% | 0.717 | S | S | * | * | | | trans | -51.2 | 135.7 | 153.1 | -71.8 | 0 | 0 | 0 | 0 | 107.9 | D26 S30 | D26-V28 PolarHBondContact O-N 3.23Å; V28-S30 PolarHBondContact O-N 2.94Å |
| 29 | I | 53.4 | Low | 53.9 | Low | 157 Ų | 157 | 115.7 Ų | 115.7 | 81% | 0.805 | 70% | 0.704 | S | S | * | * | | | trans | -45.3 | 97.6 | 172.1 | 26 | 172.4 | 0 | 0 | 0 | 110.1 | S27 T31 | S27-I29 PolarHBondContact O-N 3.21Å; I29-T31 VanDerWaalsContact C-N 3.28Å; I29-T31 PolarHBondContact O-N 3.16Å |
| 30 | S | 45.3 | Very low | 54.5 | Low | 88 Ų | 88 | 111.7 Ų | 111.7 | 62% | 0.615 | 68% | 0.684 | S | S | * | * | | | trans | -78.2 | 85 | 175.5 | -173.5 | 0 | 0 | 0 | 0 | 107.9 | V28 N32 S33 | V28-S30 PolarHBondContact O-N 2.94Å; S30-N32 PolarHBondContact O-N 2.81Å; S30-S33 PolarHBondContact O-N 2.85Å |
| 31 | T | 56.3 | Low | 56 | Low | 122 Ų | 122 | 110.6 Ų | 110.6 | 75% | 0.748 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.1 | -1.7 | 177.3 | 55.3 | 0 | 0 | 0 | 0 | 113.5 | I29 | I29-T31 VanDerWaalsContact C-N 3.28Å; I29-T31 PolarHBondContact O-N 3.16Å |
| 32 | N | 53.8 | Low | 57.6 | Low | 143 Ų | 143 | 115 Ų | 115 | 77% | 0.765 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113 | 20.7 | 179.7 | -86.1 | 47.4 | 0 | 0 | 0 | 113.4 | S30 A34 | S30-N32 PolarHBondContact O-N 2.81Å; N32-A34 VanDerWaalsContact C-N 3.27Å; N32-A34 PolarHBondContact O-N 3.07Å |
| 33 | S | 55.7 | Low | 59.5 | Low | 84 Ų | 84 | 113.8 Ų | 113.8 | 59% | 0.587 | 66% | 0.658 | S | S | * | * | | | trans | -63.8 | 100.1 | 153.5 | 63.4 | 0 | 0 | 0 | 0 | 107.4 | S30 W35 | S30-S33 PolarHBondContact O-N 2.85Å; S33-W35 PolarHBondContact O-N 3.34Å |
| 34 | A | 55.3 | Low | 61.3 | Low | 87 Ų | 87 | 113.2 Ų | 113.2 | 72% | 0.719 | 64% | 0.643 | S | S | * | * | | | trans | -50.1 | 110.2 | 163.2 | 0 | 0 | 0 | 0 | 0 | 106.3 | N32 S36 | N32-A34 VanDerWaalsContact C-N 3.27Å; N32-A34 PolarHBondContact O-N 3.07Å; A34-S36 PolarHBondContact O-N 3.5Å |
| 35 | W | 58 | Low | 63.7 | Low | 191 Ų | 191 | 112.4 Ų | 112.4 | 72% | 0.723 | 64% | 0.642 | S | S | * | * | | | trans | -63.4 | 104.6 | -176.5 | 23.4 | -81.2 | 0 | 0 | 0 | 105.9 | S33 E37 | S33-W35 PolarHBondContact O-N 3.34Å; W35-E37 PolarHBondContact O-N 2.83Å |
| 36 | S | 54.3 | Low | 65.7 | Low | 89 Ų | 89 | 113.5 Ų | 113.5 | 62% | 0.622 | 64% | 0.635 | S | S | * | * | | | trans | -55.3 | 107.3 | 171.6 | -62.8 | 0 | 0 | 0 | 0 | 106.8 | A34 D38 S39 | A34-S36 PolarHBondContact O-N 3.5Å; S36-D38 PolarHBondContact O-N 2.97Å; S36-D38 VanDerWaalsContact O-N 3.11Å; S36-S39 VanDerWaalsContact O-CB 3.29Å; S36-S39 WeakPolarHBondContact O-CB 3.25Å; S36-S39 PolarHBondContact O-N 3.49Å |
| 37 | E | 56.5 | Low | 68 | Low | 138 Ų | 138 | 112.6 Ų | 112.6 | 65% | 0.645 | 63% | 0.627 | S | S | * | * | G | 310 helix | trans | -61.4 | -26.3 | -170.8 | -158.6 | 164.4 | 160.5 | 0 | 0 | 111.6 | W35 S39 M40 | W35-E37 PolarHBondContact O-N 2.83Å; E37-S39 PolarHBondContact O-N 3.36Å; E37-M40 VanDerWaalsContact O-CB 3.26Å; E37-M40 WeakPolarHBondContact O-CB 3.28Å; E37-M40 PolarHBondContact O-N 3.09Å |
| 38 | D | 59.6 | Low | 69.8 | Low | 96 Ų | 96 | 110.7 Ų | 110.7 | 51% | 0.513 | 60% | 0.604 | S | S | . | * | G | 310 helix | trans | -45.4 | -37.6 | 163.3 | -175.7 | 25.2 | 0 | 0 | 0 | 114.1 | S36 M40 E41 | S36-D38 PolarHBondContact O-N 2.97Å; S36-D38 VanDerWaalsContact O-N 3.11Å; D38-M40 PolarHBondContact O-N 3.07Å; D38-M40 VanDerWaalsContact O-N 3.11Å; D38-E41 WeakPolarHBondContact O-CB 2.82Å; D38-E41 PolarHBondContact O-N 2.93Å |
| 39 | S | 65.9 | Low | 71.6 | Confident | 88 Ų | 88 | 108.1 Ų | 108.1 | 62% | 0.615 | 59% | 0.593 | S | S | * | * | G | 310 helix | trans | -65.1 | -17.6 | 176.8 | -172 | 0 | 0 | 0 | 0 | 113.3 | S36 E37 | S36-S39 VanDerWaalsContact O-CB 3.29Å; S36-S39 WeakPolarHBondContact O-CB 3.25Å; S36-S39 PolarHBondContact O-N 3.49Å; E37-S39 PolarHBondContact O-N 3.36Å |
| 40 | M | 69.1 | Low | 73.6 | Confident | 82 Ų | 82 | 103.9 Ų | 103.9 | 40% | 0.404 | 58% | 0.577 | S | S | . | * | G | 310 helix | trans | -84.6 | -15.2 | 176.3 | -140.3 | -177.7 | -64.4 | 0 | 0 | 111.8 | E37 D38 Y42 L43 K48 | E37-M40 VanDerWaalsContact O-CB 3.26Å; E37-M40 WeakPolarHBondContact O-CB 3.28Å; E37-M40 PolarHBondContact O-N 3.09Å; D38-M40 PolarHBondContact O-N 3.07Å; D38-M40 VanDerWaalsContact O-N 3.11Å; M40-Y42 PolarHBondContact O-N 3.07Å; M40-L43 HydrophobicContact CG-CD1 3.93Å; M40-L43 PolarHBondContact O-N 2.92Å; M40-L43 VanDerWaalsContact O-N 3.15Å; M40-K48 HydrophobicContact CG-CG 4.49Å; M40-K48 WeakPolarHBondContact O-CE 3.36Å; M40-K48 PolarHBondContact O-NZ 2.73Å |
| 41 | E | 76.3 | Confident | 75.9 | Confident | 141 Ų | 141 | 104 Ų | 104 | 66% | 0.659 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.3 | -27.3 | -177.5 | -64.7 | -164.5 | -161.6 | 0 | 0 | 113.7 | D38 L43 | D38-E41 WeakPolarHBondContact O-CB 2.82Å; D38-E41 PolarHBondContact O-N 2.93Å; E41-L43 VanDerWaalsContact C-N 3.28Å; E41-L43 PolarHBondContact O-N 3.48Å |
| 42 | Y | 86.3 | Confident | 77.7 | Confident | 195 Ų | 195 | 103.9 Ų | 103.9 | 77% | 0.765 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.3 | -12.5 | 177.7 | -59.4 | -79.2 | 0 | 0 | 0 | 114.8 | M40 | M40-Y42 PolarHBondContact O-N 3.07Š|
| 43 | L | 91.4 | Very high | 79.7 | Confident | 57 Ų | 57 | 103.1 Ų | 103.1 | 30% | 0.298 | 55% | 0.553 | S | S | . | * | S | Bend | trans | -85.4 | 136.8 | -178.8 | -62.8 | -179 | 0 | 0 | 0 | 111.9 | M40 E41 E47 K48 L51 | M40-L43 HydrophobicContact CG-CD1 3.93Å; M40-L43 PolarHBondContact O-N 2.92Å; M40-L43 VanDerWaalsContact O-N 3.15Å; E41-L43 VanDerWaalsContact C-N 3.28Å; E41-L43 PolarHBondContact O-N 3.48Å; L43-E47 HydrophobicContact CB-CB 4.16Å; L43-E47 HydrophobicContact CD2-CB 4.39Å; L43-K48 HydrophobicContact CB-CG 3.87Å; L43-K48 VanDerWaalsContact O-CE 3.31Å; L43-K48 WeakPolarHBondContact O-CE 3.31Å; L43-L51 HydrophobicContact CD1-CD1 3.47Å; L43-L51 VanDerWaalsContact CD1-CD1 3.47Å |
| 44 | S | 92.7 | Very high | 81.7 | Confident | 60 Ų | 60 | 103.7 Ų | 103.7 | 42% | 0.42 | 55% | 0.549 | S | S | . | . | | | trans | -56.9 | 152.7 | 169.2 | -179.7 | 0 | 0 | 0 | 0 | 111.2 | E46 E47 K48 | S44-E46 PolarHBondContact O-N 2.73Å; S44-E46 PolarHBondContact OG-N 3.02Å; S44-E47 WeakPolarHBondContact CB-OE2 3.45Å; S44-E47 PolarHBondContact N-OE2 3.18Å; S44-E47 PolarHBondContact O-N 3.17Å; S44-K48 PolarHBondContact O-N 3.21Å |
| 45 | A | 94.1 | Very high | 83.5 | Confident | 83 Ų | 83 | 105.6 Ų | 105.6 | 69% | 0.686 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -56.5 | -31.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | A49 | A45-A49 VanDerWaalsContact O-CB 3.31Å; A45-A49 WeakPolarHBondContact O-CB 3.32Å; A45-A49 PolarHBondContact O-N 3.31Å |
| 46 | E | 94.5 | Very high | 85.2 | Confident | 149 Ų | 149 | 102.3 Ų | 102.3 | 70% | 0.696 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -69.1 | -41.6 | 174.2 | -175.3 | 173 | -171.8 | 0 | 0 | 112.1 | S44 A49 C50 | S44-E46 PolarHBondContact O-N 2.73Å; S44-E46 PolarHBondContact OG-N 3.02Å; E46-A49 PolarHBondContact O-N 2.7Å; E46-C50 PolarHBondContact O-N 3.14Å; E46-C50 PolarHBondContact O-SG 2.71Å |
| 47 | E | 95.9 | Very high | 87.1 | Confident | 100 Ų | 100 | 100.5 Ų | 100.5 | 47% | 0.467 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -68.2 | -41.5 | 178.6 | -66.2 | 169.6 | 134.2 | 0 | 0 | 111.2 | L43 S44 C50 L51 | L43-E47 HydrophobicContact CB-CB 4.16Å; L43-E47 HydrophobicContact CD2-CB 4.39Å; S44-E47 WeakPolarHBondContact CB-OE2 3.45Å; S44-E47 PolarHBondContact N-OE2 3.18Å; S44-E47 PolarHBondContact O-N 3.17Å; E47-C50 PolarHBondContact O-N 2.81Å; E47-L51 WeakPolarHBondContact O-CG 3.49Å; E47-L51 PolarHBondContact O-N 2.81Å |
| 48 | K | 94.3 | Very high | 88.9 | Confident | 73 Ų | 73 | 98.3 Ų | 98.3 | 32% | 0.317 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.9 | -44.8 | 171.2 | -68.4 | -178.4 | 179 | -175 | 0 | 112 | M40 L43 S44 C50 L51 M52 | M40-K48 HydrophobicContact CG-CG 4.49Å; M40-K48 WeakPolarHBondContact O-CE 3.36Å; M40-K48 PolarHBondContact O-NZ 2.73Å; L43-K48 HydrophobicContact CB-CG 3.87Å; L43-K48 VanDerWaalsContact O-CE 3.31Å; L43-K48 WeakPolarHBondContact O-CE 3.31Å; S44-K48 PolarHBondContact O-N 3.21Å; K48-C50 VanDerWaalsContact C-N 3.31Å; K48-C50 PolarHBondContact O-N 3.32Å; K48-L51 PolarHBondContact O-N 3.38Å; K48-M52 WeakPolarHBondContact O-CB 3.42Å; K48-M52 PolarHBondContact O-N 3.27Å |
| 49 | A | 94.1 | Very high | 90.4 | Very high | 47 Ų | 47 | 99.4 Ų | 99.4 | 39% | 0.388 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.3 | -36.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | A45 E46 F53 | A45-A49 VanDerWaalsContact O-CB 3.31Å; A45-A49 WeakPolarHBondContact O-CB 3.32Å; A45-A49 PolarHBondContact O-N 3.31Å; E46-A49 PolarHBondContact O-N 2.7Å; A49-F53 VanDerWaalsContact O-CB 3.25Å; A49-F53 WeakPolarHBondContact O-CB 3.46Å; A49-F53 PolarHBondContact O-N 3.21Å |
| 50 | C | 96 | Very high | 91.5 | Very high | 68 Ų | 68 | 98.3 Ų | 98.3 | 46% | 0.459 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.4 | -42.4 | 175.2 | -67.9 | 0 | 0 | 0 | 0 | 112.3 | E46 E47 K48 F53 L54 | E46-C50 PolarHBondContact O-N 3.14Å; E46-C50 PolarHBondContact O-SG 2.71Å; E47-C50 PolarHBondContact O-N 2.81Å; K48-C50 VanDerWaalsContact C-N 3.31Å; K48-C50 PolarHBondContact O-N 3.32Å; C50-F53 PolarHBondContact O-N 2.96Å; C50-L54 VanDerWaalsContact O-CG 3.24Å; C50-L54 WeakPolarHBondContact O-CG 3.33Å; C50-L54 PolarHBondContact O-N 3.24Å |
| 51 | L | 94.9 | Very high | 92.5 | Very high | 90 Ų | 90 | 99.7 Ų | 99.7 | 47% | 0.471 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.1 | -48 | 177.1 | -70.4 | 174.5 | 0 | 0 | 0 | 111.8 | L43 E47 K48 F53 L54 E55 | L43-L51 HydrophobicContact CD1-CD1 3.47Å; L43-L51 VanDerWaalsContact CD1-CD1 3.47Å; E47-L51 WeakPolarHBondContact O-CG 3.49Å; E47-L51 PolarHBondContact O-N 2.81Å; K48-L51 PolarHBondContact O-N 3.38Å; L51-F53 VanDerWaalsContact C-N 3.32Å; L51-F53 PolarHBondContact O-N 3.21Å; L51-L54 WeakPolarHBondContact O-CB 3.4Å; L51-L54 PolarHBondContact O-N 2.93Å; L51-L54 VanDerWaalsContact O-N 3.09Å; L51-E55 PolarHBondContact O-N 3.34Å |
| 52 | M | 94.1 | Very high | 92.8 | Very high | 121 Ų | 121 | 98.8 Ų | 98.8 | 60% | 0.596 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -59.2 | -40.8 | 176 | 176.3 | 172.7 | 47.9 | 0 | 0 | 112.3 | K48 E55 E56 | K48-M52 WeakPolarHBondContact O-CB 3.42Å; K48-M52 PolarHBondContact O-N 3.27Å; M52-E55 PolarHBondContact O-N 2.88Å; M52-E56 WeakPolarHBondContact O-CB 3.45Å; M52-E56 PolarHBondContact O-N 3.29Å |
| 53 | F | 95.3 | Very high | 92.2 | Very high | 127 Ų | 127 | 94.5 Ų | 94.5 | 56% | 0.557 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -66.2 | -35.7 | 174.7 | 173.4 | -101.7 | 0 | 0 | 0 | 112.8 | A49 C50 L51 T57 | A49-F53 VanDerWaalsContact O-CB 3.25Å; A49-F53 WeakPolarHBondContact O-CB 3.46Å; A49-F53 PolarHBondContact O-N 3.21Å; C50-F53 PolarHBondContact O-N 2.96Å; L51-F53 VanDerWaalsContact C-N 3.32Å; L51-F53 PolarHBondContact O-N 3.21Å; F53-T57 VanDerWaalsContact O-CB 3.26Å; F53-T57 WeakPolarHBondContact O-CB 3.39Å; F53-T57 PolarHBondContact O-N 2.93Å; F53-T57 PolarHBondContact O-OG1 3.48Å |
| 54 | L | 96.8 | Very high | 90.8 | Very high | 96 Ų | 96 | 99.2 Ų | 99.2 | 50% | 0.503 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -68.7 | -40.7 | 175.7 | -73.7 | 167.1 | 0 | 0 | 0 | 111.4 | C50 L51 T57 I58 | C50-L54 VanDerWaalsContact O-CG 3.24Å; C50-L54 WeakPolarHBondContact O-CG 3.33Å; C50-L54 PolarHBondContact O-N 3.24Å; L51-L54 WeakPolarHBondContact O-CB 3.4Å; L51-L54 PolarHBondContact O-N 2.93Å; L51-L54 VanDerWaalsContact O-N 3.09Å; L54-T57 PolarHBondContact O-N 2.86Å; L54-I58 WeakPolarHBondContact O-CD1 3.44Å; L54-I58 VanDerWaalsContact O-CG1 3.25Å; L54-I58 WeakPolarHBondContact O-CG1 3.4Å; L54-I58 PolarHBondContact O-N 3.29Å |
| 55 | E | 93.2 | Very high | 89.3 | Confident | 127 Ų | 127 | 104 Ų | 104 | 59% | 0.593 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -61.2 | -52.9 | 174.3 | -169.1 | 165 | -143.9 | 0 | 0 | 111 | L51 M52 T57 I58 E59 | L51-E55 PolarHBondContact O-N 3.34Å; M52-E55 PolarHBondContact O-N 2.88Å; E55-T57 VanDerWaalsContact C-N 3.27Å; E55-T57 PolarHBondContact O-N 3.46Å; E55-I58 PolarHBondContact O-N 3.44Å; E55-E59 PolarHBondContact O-N 3.33Å |
| 56 | E | 93.9 | Very high | 87.6 | Confident | 122 Ų | 122 | 107.3 Ų | 107.3 | 57% | 0.57 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -54.7 | -40.4 | 173.2 | -177.5 | -174.4 | -169.8 | 0 | 0 | 112.3 | M52 A60 | M52-E56 WeakPolarHBondContact O-CB 3.45Å; M52-E56 PolarHBondContact O-N 3.29Å; E56-A60 VanDerWaalsContact O-CB 3.25Å; E56-A60 WeakPolarHBondContact O-CB 3.29Å; E56-A60 PolarHBondContact O-N 2.84Å |
| 57 | T | 95.1 | Very high | 86.1 | Confident | 50 Ų | 50 | 105 Ų | 105 | 31% | 0.307 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -68.4 | -35.2 | 179.1 | -61.5 | 0 | 0 | 0 | 0 | 112.2 | F53 L54 E55 L61 | F53-T57 VanDerWaalsContact O-CB 3.26Å; F53-T57 WeakPolarHBondContact O-CB 3.39Å; F53-T57 PolarHBondContact O-N 2.93Å; F53-T57 PolarHBondContact O-OG1 3.48Å; L54-T57 PolarHBondContact O-N 2.86Å; E55-T57 VanDerWaalsContact C-N 3.27Å; E55-T57 PolarHBondContact O-N 3.46Å; T57-L61 HydrophobicContact CG2-CD1 4.27Å; T57-L61 WeakPolarHBondContact O-CD1 3.47Å; T57-L61 VanDerWaalsContact O-CG 3.27Å; T57-L61 WeakPolarHBondContact O-CG 3.25Å; T57-L61 PolarHBondContact O-N 2.88Å |
| 58 | I | 93.9 | Very high | 84.2 | Confident | 92 Ų | 92 | 103 Ų | 103 | 47% | 0.472 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -71.4 | -49.9 | 177.5 | -68.8 | 161.2 | 0 | 0 | 0 | 109.6 | L54 E55 A60 L61 E62 | L54-I58 WeakPolarHBondContact O-CD1 3.44Å; L54-I58 VanDerWaalsContact O-CG1 3.25Å; L54-I58 WeakPolarHBondContact O-CG1 3.4Å; L54-I58 PolarHBondContact O-N 3.29Å; E55-I58 PolarHBondContact O-N 3.44Å; I58-A60 VanDerWaalsContact C-N 3.28Å; I58-A60 PolarHBondContact O-N 3.49Å; I58-L61 PolarHBondContact O-N 3.2Å; I58-E62 HydrophobicContact CG2-CG 4.31Å; I58-E62 WeakPolarHBondContact CG2-OE1 3.26Å; I58-E62 WeakPolarHBondContact O-CG 3.48Å; I58-E62 PolarHBondContact O-N 2.64Å |
| 59 | E | 91.1 | Very high | 82.3 | Confident | 119 Ų | 119 | 107.4 Ų | 107.4 | 56% | 0.556 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -55.2 | -43.2 | 176.3 | -68.6 | -175.4 | 170.8 | 0 | 0 | 111.9 | E55 L61 E62 V63 | E55-E59 PolarHBondContact O-N 3.33Å; E59-L61 VanDerWaalsContact C-N 3.28Å; E59-L61 PolarHBondContact O-N 3.44Å; E59-E62 PolarHBondContact O-N 3.07Å; E59-V63 WeakPolarHBondContact O-CG2 3.14Å; E59-V63 PolarHBondContact O-N 3.45Å; E59-V63 VanDerWaalsContact O-N 3.11Å |
| 60 | A | 89.8 | Confident | 80.2 | Confident | 65 Ų | 65 | 110.7 Ų | 110.7 | 54% | 0.537 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -65.6 | -27.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | E56 I58 | E56-A60 VanDerWaalsContact O-CB 3.25Å; E56-A60 WeakPolarHBondContact O-CB 3.29Å; E56-A60 PolarHBondContact O-N 2.84Å; I58-A60 VanDerWaalsContact C-N 3.28Å; I58-A60 PolarHBondContact O-N 3.49Å |
| 61 | L | 88.6 | Confident | 78.1 | Confident | 111 Ų | 111 | 114.5 Ų | 114.5 | 58% | 0.581 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -81.1 | -41.5 | 175.1 | -72.9 | 169.6 | 0 | 0 | 0 | 111.5 | T57 I58 E59 V63 Q64 E65 | T57-L61 HydrophobicContact CG2-CD1 4.27Å; T57-L61 WeakPolarHBondContact O-CD1 3.47Å; T57-L61 VanDerWaalsContact O-CG 3.27Å; T57-L61 WeakPolarHBondContact O-CG 3.25Å; T57-L61 PolarHBondContact O-N 2.88Å; I58-L61 PolarHBondContact O-N 3.2Å; E59-L61 VanDerWaalsContact C-N 3.28Å; E59-L61 PolarHBondContact O-N 3.44Å; L61-V63 PolarHBondContact O-N 3.02Å; L61-Q64 PolarHBondContact O-N 2.97Å; L61-Q64 VanDerWaalsContact O-N 3.08Å; L61-E65 PolarHBondContact O-N 2.95Å |
| 62 | E | 82.3 | Confident | 76.1 | Confident | 122 Ų | 122 | 117.1 Ų | 117.1 | 57% | 0.57 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -61.1 | -42 | 178.3 | -70.9 | -179.8 | -179.7 | 0 | 0 | 111.8 | I58 E59 Q64 E65 D66 | I58-E62 HydrophobicContact CG2-CG 4.31Å; I58-E62 WeakPolarHBondContact CG2-OE1 3.26Å; I58-E62 WeakPolarHBondContact O-CG 3.48Å; I58-E62 PolarHBondContact O-N 2.64Å; E59-E62 PolarHBondContact O-N 3.07Å; E62-Q64 PolarHBondContact O-N 2.81Å; E62-E65 PolarHBondContact O-N 3.5Å; E62-E65 VanDerWaalsContact O-N 3.16Å; E62-D66 PolarHBondContact O-N 2.91Å |
| 63 | V | 74.9 | Confident | 73.9 | Confident | 105 Ų | 105 | 117.8 Ų | 117.8 | 64% | 0.636 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -62.1 | -27.2 | 175 | 171.8 | 0 | 0 | 0 | 0 | 112.9 | E59 L61 S67 | E59-V63 WeakPolarHBondContact O-CG2 3.14Å; E59-V63 PolarHBondContact O-N 3.45Å; E59-V63 VanDerWaalsContact O-N 3.11Å; L61-V63 PolarHBondContact O-N 3.02Å; V63-S67 PolarHBondContact O-OG 2.96Å |
| 64 | Q | 62 | Low | 71.9 | Confident | 156 Ų | 156 | 117.3 Ų | 117.3 | 73% | 0.729 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -82 | -24.5 | 178.5 | -169.8 | 163.9 | 106.6 | 0 | 0 | 112.9 | L61 E62 | L61-Q64 PolarHBondContact O-N 2.97Å; L61-Q64 VanDerWaalsContact O-N 3.08Å; E62-Q64 PolarHBondContact O-N 2.81Å |
| 65 | E | 60.9 | Low | 69.4 | Low | 160 Ų | 160 | 118.7 Ų | 118.7 | 75% | 0.748 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -74.3 | -43.1 | 176 | -172.1 | 167.4 | -170.8 | 0 | 0 | 111.7 | L61 E62 S67 G68 | L61-E65 PolarHBondContact O-N 2.95Å; E62-E65 PolarHBondContact O-N 3.5Å; E62-E65 VanDerWaalsContact O-N 3.16Å; E65-S67 PolarHBondContact O-N 2.81Å; E65-G68 PolarHBondContact O-N 2.86Å; E65-G68 VanDerWaalsContact O-N 3.13Å |
| 66 | D | 58.8 | Low | 66.8 | Low | 153 Ų | 153 | 119 Ų | 119 | 82% | 0.818 | 66% | 0.664 | S | S | * | * | G | 310 helix | trans | -71.9 | -12.8 | -175.4 | -147.5 | 24.5 | 0 | 0 | 0 | 113.6 | E62 G68 | E62-D66 PolarHBondContact O-N 2.91Å; D66-G68 PolarHBondContact O-N 3.32Å |
| 67 | S | 61.4 | Low | 63.9 | Low | 100 Ų | 100 | 123.3 Ų | 123.3 | 70% | 0.699 | 68% | 0.675 | S | S | * | * | G | 310 helix | trans | -80 | 0.9 | 172.7 | -62.8 | 0 | 0 | 0 | 0 | 113.9 | V63 E65 | V63-S67 PolarHBondContact O-OG 2.96Å; E65-S67 PolarHBondContact O-N 2.81Å |
| 68 | G | 57.1 | Low | 61.2 | Low | 58 Ų | 58 | 126.2 Ų | 126.2 | 60% | 0.598 | 70% | 0.698 | S | S | * | * | G | 310 helix | trans | -88.6 | -4.8 | -169.3 | 0 | 0 | 0 | 0 | 0 | 117.7 | E65 D66 | E65-G68 PolarHBondContact O-N 2.86Å; E65-G68 VanDerWaalsContact O-N 3.13Å; D66-G68 PolarHBondContact O-N 3.32Å |
| 69 | L | 53.9 | Low | 58.3 | Low | 166 Ų | 166 | 130.4 Ų | 130.4 | 87% | 0.869 | 71% | 0.712 | S | S | * | * | | | trans | -128.1 | 20 | -164.8 | -69.6 | 178.6 | 0 | 0 | 0 | 117.1 | N71 | L69-N71 PolarHBondContact O-N 3.31Š|
| 70 | S | 51.2 | Low | 55.5 | Low | 116 Ų | 116 | 130.2 Ų | 130.2 | 81% | 0.811 | 72% | 0.719 | S | S | * | * | | | trans | -93 | 75.4 | 165.4 | -166.6 | 0 | 0 | 0 | 0 | 111.3 | D72 | S70-D72 VanDerWaalsContact C-N 3.29Å; S70-D72 PolarHBondContact O-N 3.35Å; S70-D72 VanDerWaalsContact O-N 3.16Å |
| 71 | N | 51.3 | Low | 52.6 | Low | 148 Ų | 148 | 135.7 Ų | 135.7 | 79% | 0.791 | 73% | 0.734 | S | S | * | * | | | trans | -85.1 | 71.3 | 172.1 | -168.7 | 59.3 | 0 | 0 | 0 | 110.1 | L69 | L69-N71 PolarHBondContact O-N 3.31Š|
| 72 | D | 52.2 | Low | 50.5 | Low | 145 Ų | 145 | 136.1 Ų | 136.1 | 78% | 0.775 | 74% | 0.743 | S | S | * | * | | | trans | -79.3 | 112.9 | 167.7 | -170.5 | 47.8 | 0 | 0 | 0 | 108.6 | S70 P74 | S70-D72 VanDerWaalsContact C-N 3.29Å; S70-D72 PolarHBondContact O-N 3.35Å; S70-D72 VanDerWaalsContact O-N 3.16Å; D72-P74 VanDerWaalsContact O-CD 3.31Å; D72-P74 WeakPolarHBondContact O-CD 3.25Å |
| 73 | E | 48.2 | Very low | 48.3 | Very low | 136 Ų | 136 | 139.8 Ų | 139.8 | 64% | 0.636 | 76% | 0.76 | S | S | * | * | | | trans | -89.2 | 113.6 | -172.9 | -179.4 | 172.6 | 176.1 | 0 | 0 | 110.5 | D75 | E73-D75 VanDerWaalsContact C-N 3.25Å; E73-D75 HydrophobicContact CG-CB 4.49Å; E73-D75 PolarHBondContact O-N 3.26Å |
| 74 | P | 53.4 | Low | 46.4 | Very low | 117 Ų | 117 | 141.9 Ų | 141.9 | 76% | 0.76 | 77% | 0.768 | S | S | * | * | | | trans | -78.2 | 78.9 | 173.6 | 32.4 | -34.6 | 0 | 0 | 0 | 110.3 | D72 V76 | D72-P74 VanDerWaalsContact O-CD 3.31Å; D72-P74 WeakPolarHBondContact O-CD 3.25Å; P74-V76 PolarHBondContact O-N 3.32Å |
| 75 | D | 43.9 | Very low | 45.2 | Very low | 125 Ų | 125 | 143.1 Ų | 143.1 | 67% | 0.668 | 77% | 0.774 | S | S | * | * | | | trans | -71.4 | 83.8 | 179.1 | -152.9 | -4.2 | 0 | 0 | 0 | 110.8 | E73 | E73-D75 VanDerWaalsContact C-N 3.25Å; E73-D75 HydrophobicContact CG-CB 4.49Å; E73-D75 PolarHBondContact O-N 3.26Å |
| 76 | V | 39.8 | Very low | 44.1 | Very low | 133 Ų | 133 | 142.7 Ų | 142.7 | 81% | 0.806 | 78% | 0.775 | S | S | * | * | | | trans | -113.2 | 89.6 | 173.2 | -176.6 | 0 | 0 | 0 | 0 | 110.7 | P74 | P74-V76 PolarHBondContact O-N 3.32Š|
| 77 | W | 32.9 | Very low | 42.8 | Very low | 212 Ų | 212 | 145.6 Ų | 145.6 | 80% | 0.803 | 78% | 0.775 | S | S | * | * | | | trans | -43.4 | 136.2 | 175.9 | -166.3 | -85.7 | 0 | 0 | 0 | 115.2 | | |
| 78 | S | 36.4 | Very low | 41.4 | Very low | 112 Ų | 112 | 147 Ų | 147 | 78% | 0.783 | 78% | 0.775 | S | S | * | * | | | trans | -89.9 | 119 | 179 | 45.5 | 0 | 0 | 0 | 0 | 113.3 | | |
| 79 | K | 34.2 | Very low | 40.6 | Very low | 180 Ų | 180 | 150.2 Ų | 150.2 | 78% | 0.783 | 78% | 0.782 | S | S | * | * | | | trans | -162.2 | 129.1 | 163.5 | -139.2 | 171.9 | 179.3 | 177.8 | 0 | 105.9 | | |
| 80 | T | 32.4 | Very low | 40.2 | Very low | 114 Ų | 114 | 147.7 Ų | 147.7 | 70% | 0.699 | 78% | 0.776 | S | S | * | * | | | | -169.4 | 136.6 | 57 | -51.7 | 0 | 0 | 0 | 0 | 109.9 | | |
| 81 | E | 29.6 | Very low | 39.5 | Very low | 180 Ų | 180 | 147.7 Ų | 147.7 | 84% | 0.841 | 77% | 0.771 | S | S | * | * | | | trans | 42.2 | 140.9 | 146.6 | -141.6 | 155.3 | 126.8 | 0 | 0 | 122.7 | | |
| 82 | P | 44.2 | Very low | 38.8 | Very low | 121 Ų | 121 | 149 Ų | 149 | 79% | 0.786 | 77% | 0.772 | S | S | * | * | | | trans | -89.6 | 149.9 | -175.2 | 36.1 | -34.5 | 0 | 0 | 0 | 114 | | |
| 83 | Q | 34.9 | Very low | 38 | Very low | 198 Ų | 198 | 151.3 Ų | 151.3 | 93% | 0.925 | 78% | 0.775 | S | S | * | * | | | trans | -146.1 | 136.6 | 165.5 | -132.8 | 179.9 | 19.5 | 0 | 0 | 113.2 | | |
| 84 | D | 36.3 | Very low | 37.4 | Very low | 150 Ų | 150 | 152.1 Ų | 152.1 | 80% | 0.802 | 78% | 0.783 | S | S | * | * | | | trans | -71.8 | 127 | -177.9 | -64.5 | -73.3 | 0 | 0 | 0 | 114 | | |
| 85 | Q | 36.6 | Very low | 36.3 | Very low | 182 Ų | 182 | 154.3 Ų | 154.3 | 85% | 0.85 | 78% | 0.783 | S | S | * | * | | | trans | -162.7 | 109.4 | 135.4 | -121.3 | 148.1 | 102.3 | 0 | 0 | 116.3 | | |
| 86 | I | 37.9 | Very low | 35.9 | Very low | 151 Ų | 151 | 153.8 Ų | 153.8 | 77% | 0.774 | 79% | 0.79 | S | S | * | * | | | | 11.6 | 121.7 | 129.8 | -38.1 | 175.1 | 0 | 0 | 0 | 116.4 | | |
| 87 | R | 32 | Very low | 35.4 | Very low | 214 Ų | 214 | 150.7 Ų | 150.7 | 81% | 0.808 | 79% | 0.785 | S | S | * | * | | | | 159.6 | 115.7 | 107.4 | -164.3 | 166.6 | -171.2 | 171.3 | 0.1 | 115.8 | | |
| 88 | N | 31 | Very low | 35.7 | Very low | 130 Ų | 130 | 146 Ų | 146 | 70% | 0.695 | 78% | 0.784 | S | S | * | * | | | trans | 46 | 130.7 | 142.1 | -48.6 | 0.7 | 0 | 0 | 0 | 123.3 | | |
| 89 | V | 40.5 | Very low | 35.6 | Very low | 125 Ų | 125 | 148 Ų | 148 | 76% | 0.758 | 79% | 0.785 | S | S | * | * | | | trans | -66.1 | 152.1 | 152.3 | -140.2 | 0 | 0 | 0 | 0 | 110.9 | | |
| 90 | P | 45.9 | Very low | 36 | Very low | 113 Ų | 113 | 149 Ų | 149 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | | | | -136.5 | 150.6 | 90.2 | 27.2 | -8.1 | 0 | 0 | 0 | 112.5 | | |
| 91 | T | 36.6 | Very low | 36.2 | Very low | 115 Ų | 115 | 151 Ų | 151 | 71% | 0.706 | 79% | 0.789 | S | S | * | * | | | | 69.6 | 82.6 | 60 | -47.4 | 0 | 0 | 0 | 0 | 115.2 | | |
| 92 | E | 36.8 | Very low | 36.4 | Very low | 177 Ų | 177 | 147.1 Ų | 147.1 | 83% | 0.827 | 78% | 0.782 | S | S | * | * | | | trans | -156.9 | 111.7 | 151.6 | -59.6 | -59.4 | 167.9 | 0 | 0 | 105.2 | | |
| 93 | K | 35.4 | Very low | 35.8 | Very low | 192 Ų | 192 | 147.4 Ų | 147.4 | 84% | 0.835 | 78% | 0.781 | S | S | * | * | | | | 68.1 | 107.5 | 69.7 | -149.3 | -171.5 | -172.7 | -167.9 | 0 | 115.3 | | |
| 94 | L | 34.9 | Very low | 35.7 | Very low | 153 Ų | 153 | 145.9 Ų | 145.9 | 80% | 0.801 | 78% | 0.779 | S | S | * | * | | | trans | 157.7 | 112.7 | 153.1 | -86.6 | 158.9 | 0 | 0 | 0 | 106.5 | | |
| 95 | E | 31.1 | Very low | 35.6 | Very low | 163 Ų | 163 | 145 Ų | 145 | 76% | 0.762 | 78% | 0.779 | S | S | * | * | | | | 88.8 | 117.8 | 62.9 | -170.9 | 165.4 | -178.9 | 0 | 0 | 113.8 | | |
| 96 | S | 33.9 | Very low | 35.8 | Very low | 115 Ų | 115 | 142.1 Ų | 142.1 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | | | trans | 41.5 | 125.6 | 157.2 | -61.6 | 0 | 0 | 0 | 0 | 121.4 | | |
| 97 | G | 30.1 | Very low | 35.6 | Very low | 68 Ų | 68 | 143.4 Ų | 143.4 | 70% | 0.701 | 78% | 0.778 | S | S | * | * | | | trans | 160 | 87.8 | 149 | 0 | 0 | 0 | 0 | 0 | 118.7 | L99 | G97-L99 PolarHBondContact O-N 2.86Š|
| 98 | S | 39.1 | Very low | 35.6 | Very low | 114 Ų | 114 | 139.2 Ų | 139.2 | 80% | 0.797 | 78% | 0.777 | S | S | * | * | | | trans | 0.3 | 113.2 | 146.6 | -174.2 | 0 | 0 | 0 | 0 | 118.2 | | |
| 99 | L | 35.2 | Very low | 35.7 | Very low | 154 Ų | 154 | 139.4 Ų | 139.4 | 81% | 0.806 | 78% | 0.783 | S | S | * | * | | | trans | -127.7 | 93.3 | 159.6 | -80 | 177.8 | 0 | 0 | 0 | 112.5 | G97 | G97-L99 PolarHBondContact O-N 2.86Š|
| 100 | R | 41.2 | Very low | 35.4 | Very low | 200 Ų | 200 | 138.1 Ų | 138.1 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | | | trans | -20.5 | 134 | 152.9 | 62.3 | -136.7 | -142.3 | -142.3 | 5.8 | 116.8 | | |
| 101 | I | 36.5 | Very low | 34.8 | Very low | 156 Ų | 156 | 140.5 Ų | 140.5 | 80% | 0.8 | 79% | 0.792 | S | S | * | * | | | trans | -61.3 | 141.3 | 163.2 | -61.3 | 160.6 | 0 | 0 | 0 | 108.9 | T103 | I101-T103 HydrophobicContact CG2-CG2 4.45Š|
| 102 | S | 35.3 | Very low | 35.3 | Very low | 99 Ų | 99 | 140 Ų | 140 | 69% | 0.692 | 79% | 0.791 | S | S | * | * | | | trans | -133.5 | 95.4 | 168.5 | -69.8 | 0 | 0 | 0 | 0 | 109.9 | | |
| 103 | T | 30.1 | Very low | 35.6 | Very low | 126 Ų | 126 | 138 Ų | 138 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | | | trans | -68.5 | 130.9 | 161.6 | 45.8 | 0 | 0 | 0 | 0 | 109.3 | I101 | I101-T103 HydrophobicContact CG2-CG2 4.45Š|
| 104 | L | 33.2 | Very low | 35.5 | Very low | 167 Ų | 167 | 134.7 Ų | 134.7 | 87% | 0.874 | 79% | 0.794 | S | S | * | * | | | trans | -126.5 | 126.6 | 165.3 | -73.4 | 176.9 | 0 | 0 | 0 | 110 | | |
| 105 | T | 33.4 | Very low | 35.6 | Very low | 131 Ų | 131 | 132.3 Ų | 132.3 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | | | trans | -93 | 167.4 | 173.6 | 36.9 | 0 | 0 | 0 | 0 | 110.7 | | |
| 106 | P | 42.2 | Very low | 35.5 | Very low | 122 Ų | 122 | 128.4 Ų | 128.4 | 79% | 0.792 | 80% | 0.8 | S | S | * | * | | | trans | -94.9 | 170 | -152.8 | 37.1 | -37.3 | 0 | 0 | 0 | 115.3 | | |
| 107 | H | 33.3 | Very low | 35.2 | Very low | 177 Ų | 177 | 128.7 Ų | 128.7 | 82% | 0.819 | 80% | 0.8 | S | S | * | * | | | trans | -141.3 | 102.4 | 163.4 | 54.6 | -89 | 0 | 0 | 0 | 113.5 | | |
| 108 | T | 32.6 | Very low | 35.2 | Very low | 127 Ų | 127 | 133.4 Ų | 133.4 | 78% | 0.779 | 80% | 0.804 | S | S | * | * | | | trans | 16.9 | 116.5 | 136.2 | -47.6 | 0 | 0 | 0 | 0 | 121.7 | | |
| 109 | T | 33.2 | Very low | 35 | Very low | 133 Ų | 133 | 133.2 Ų | 133.2 | 82% | 0.816 | 80% | 0.798 | S | S | * | * | | | trans | 67.1 | 120.7 | 134.5 | -52.6 | 0 | 0 | 0 | 0 | 123.6 | | |
| 110 | A | 34.5 | Very low | 34.8 | Very low | 98 Ų | 98 | 134 Ų | 134 | 81% | 0.81 | 80% | 0.798 | S | S | * | * | | | trans | -159.3 | 146.2 | 131.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 111 | D | 31.8 | Very low | 34.5 | Very low | 163 Ų | 163 | 132.1 Ų | 132.1 | 87% | 0.872 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 167.2 | -175.6 | -106.4 | -34.4 | 0 | 0 | 0 | 114.8 | | |
| 112 | P | 47.8 | Very low | 34.4 | Very low | 106 Ų | 106 | 134.1 Ų | 134.1 | 69% | 0.688 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -101.1 | 166.5 | -171.3 | 39.9 | -36.5 | 0 | 0 | 0 | 115.8 | | |
| 113 | P | 43.7 | Very low | 34.3 | Very low | 133 Ų | 133 | 134 Ų | 134 | 86% | 0.864 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -92.5 | 165.6 | 165.5 | 36.4 | -32.5 | 0 | 0 | 0 | 113.7 | | |
| 114 | S | 32.8 | Very low | 34.3 | Very low | 123 Ų | 123 | 132.9 Ų | 132.9 | 86% | 0.86 | 81% | 0.811 | S | S | * | * | | | trans | -128.6 | 178.7 | -164.3 | -175.7 | 0 | 0 | 0 | 0 | 114.3 | | |
| 115 | A | 36.3 | Very low | 34.3 | Very low | 104 Ų | 104 | 131.8 Ų | 131.8 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | | | trans | 77.9 | 139.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 116 | G | 30.3 | Very low | 34.3 | Very low | 80 Ų | 80 | 133.1 Ų | 133.1 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | | | cis | 171.4 | 176.9 | -1 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 117 | C | 26.8 | Very low | 34 | Very low | 121 Ų | 121 | 134 Ų | 134 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | | | cis | -155.7 | 174 | -8.4 | -161.2 | 0 | 0 | 0 | 0 | 105.9 | | |
| 118 | E | 30.8 | Very low | 33.9 | Very low | 167 Ų | 167 | 135.4 Ų | 135.4 | 78% | 0.78 | 80% | 0.801 | S | S | * | * | | | | 176.9 | 140.3 | 73.4 | -83.8 | -165.7 | 134.9 | 0 | 0 | 110.5 | | |
| 119 | T | 34.6 | Very low | 33.9 | Very low | 110 Ų | 110 | 135.1 Ų | 135.1 | 68% | 0.675 | 80% | 0.795 | S | S | * | * | | | trans | 50.5 | 144 | 130.1 | -20.6 | 0 | 0 | 0 | 0 | 120.6 | | |
| 120 | E | 29.7 | Very low | 34.1 | Very low | 172 Ų | 172 | 134.5 Ų | 134.5 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | | | cis | -156.7 | 179.5 | 20.8 | -155 | 161.1 | 159.7 | 0 | 0 | 112.7 | | |
| 121 | H | 35.8 | Very low | 34 | Very low | 160 Ų | 160 | 138.1 Ų | 138.1 | 74% | 0.741 | 79% | 0.793 | S | S | * | * | | | trans | -91.1 | 164 | -165.3 | -57.8 | -96 | 0 | 0 | 0 | 116.3 | | |
| 122 | H | 33.9 | Very low | 33.9 | Very low | 198 Ų | 198 | 135.8 Ų | 135.8 | 92% | 0.917 | 79% | 0.79 | S | S | * | * | | | | -169.5 | 160.6 | 115.4 | -94.1 | -60.2 | 0 | 0 | 0 | 111.8 | | |
| 123 | A | 33.5 | Very low | 33 | Very low | 97 Ų | 97 | 135.1 Ų | 135.1 | 80% | 0.802 | 79% | 0.793 | S | S | * | * | | | trans | -132.4 | 161.3 | -162.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 124 | A | 30.2 | Very low | 32.4 | Very low | 101 Ų | 101 | 134 Ų | 134 | 84% | 0.835 | 79% | 0.788 | S | S | * | * | | | trans | -162.6 | 135.1 | 145.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 125 | N | 32.5 | Very low | 32.3 | Very low | 144 Ų | 144 | 134.9 Ų | 134.9 | 77% | 0.77 | 79% | 0.789 | S | S | * | * | | | trans | -77.2 | 163.2 | 169.3 | -67.5 | -78.1 | 0 | 0 | 0 | 111 | | |
| 126 | Q | 34.7 | Very low | 32.1 | Very low | 160 Ų | 160 | 135.4 Ų | 135.4 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | | | | -175.2 | 152.2 | 100.7 | -88.4 | -48.6 | -16.8 | 0 | 0 | 113.5 | | |
| 127 | N | 34.6 | Very low | 32 | Very low | 139 Ų | 139 | 136 Ų | 136 | 74% | 0.743 | 78% | 0.783 | S | S | * | * | | | trans | -113.2 | 128.5 | -179.4 | 170 | 17.2 | 0 | 0 | 0 | 109.1 | | |
| 128 | Y | 31.5 | Very low | 32.2 | Very low | 207 Ų | 207 | 137.7 Ų | 137.7 | 81% | 0.812 | 79% | 0.789 | S | S | * | * | | | trans | -143.8 | 131 | 171.5 | -88.1 | -72.2 | 0 | 0 | 0 | 115.6 | | |
| 129 | N | 33.3 | Very low | 32 | Very low | 122 Ų | 122 | 132.6 Ų | 132.6 | 65% | 0.652 | 78% | 0.782 | S | S | * | * | | | trans | -76.4 | 143.2 | 170.1 | 168.9 | 48.1 | 0 | 0 | 0 | 111.9 | | |
| 130 | P | 38.2 | Very low | 32 | Very low | 120 Ų | 120 | 136.7 Ų | 136.7 | 78% | 0.779 | 80% | 0.796 | S | S | * | * | | | trans | -94.6 | 119.8 | 171.4 | 33.9 | -29.2 | 0 | 0 | 0 | 112.9 | | |
| 131 | Q | 30.4 | Very low | 32.5 | Very low | 173 Ų | 173 | 138 Ų | 138 | 81% | 0.808 | 80% | 0.799 | S | S | * | * | | | trans | -126.5 | 137.8 | 159.8 | -113.4 | -173.3 | -51 | 0 | 0 | 111.1 | | |
| 132 | S | 30.5 | Very low | 32.2 | Very low | 115 Ų | 115 | 137.7 Ų | 137.7 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | | | trans | -8.6 | 139.5 | 172.7 | -50 | 0 | 0 | 0 | 0 | 122.2 | | |
| 133 | A | 28.5 | Very low | 32.3 | Very low | 91 Ų | 91 | 135.1 Ų | 135.1 | 75% | 0.752 | 80% | 0.801 | S | S | * | * | | | | 125.2 | 112.4 | 126.6 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 134 | S | 30.5 | Very low | 32.3 | Very low | 110 Ų | 110 | 138.3 Ų | 138.3 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | | | trans | 45.5 | 129.5 | 136.4 | -54.8 | 0 | 0 | 0 | 0 | 122.7 | | |
| 135 | T | 31.5 | Very low | 32.3 | Very low | 142 Ų | 142 | 139.9 Ų | 139.9 | 87% | 0.871 | 80% | 0.798 | S | S | * | * | | | | -177.2 | 155 | 109.9 | 26.6 | 0 | 0 | 0 | 0 | 113.9 | | |
| 136 | S | 31.8 | Very low | 32.7 | Very low | 114 Ų | 114 | 141.1 Ų | 141.1 | 80% | 0.797 | 80% | 0.799 | S | S | * | * | | | trans | 61.5 | 107.7 | 155.3 | -158.6 | 0 | 0 | 0 | 0 | 119.1 | | |
| 137 | A | 27.6 | Very low | 32.7 | Very low | 93 Ų | 93 | 139.7 Ų | 139.7 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | | | cis | 92.1 | 93.8 | 42.2 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 138 | V | 31.4 | Very low | 32.9 | Very low | 156 Ų | 156 | 141.3 Ų | 141.3 | 95% | 0.945 | 81% | 0.805 | S | S | * | * | | | trans | -152.6 | 135.8 | 145.2 | -177 | 0 | 0 | 0 | 0 | 104.3 | | |
| 139 | G | 27.3 | Very low | 32.8 | Very low | 61 Ų | 61 | 134.4 Ų | 134.4 | 63% | 0.629 | 80% | 0.797 | S | S | * | * | | | cis | 153 | 77.9 | 5.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 140 | M | 34.5 | Very low | 32.8 | Very low | 196 Ų | 196 | 135.7 Ų | 135.7 | 97% | 0.966 | 81% | 0.808 | S | S | * | * | | | trans | -98.7 | 155.8 | 176.9 | -63.3 | -158.7 | 79 | 0 | 0 | 111 | | |
| 141 | K | 40.9 | Very low | 32.7 | Very low | 198 Ų | 198 | 138.2 Ų | 138.2 | 86% | 0.861 | 81% | 0.81 | S | S | * | * | | | trans | -110.2 | 149.7 | -161.6 | -51.8 | 177.1 | -173.2 | 179.3 | 0 | 111 | | |
| 142 | D | 29.7 | Very low | 32.9 | Very low | 155 Ų | 155 | 136.4 Ų | 136.4 | 83% | 0.829 | 81% | 0.811 | S | S | * | * | | | trans | -54.7 | 148.6 | -172.3 | -60.1 | -82.6 | 0 | 0 | 0 | 116.1 | | |
| 143 | V | 36.1 | Very low | 32.9 | Very low | 144 Ų | 144 | 137.8 Ų | 137.8 | 87% | 0.873 | 81% | 0.809 | S | S | * | * | | | trans | -126.8 | 127.5 | 142.6 | 167.3 | 0 | 0 | 0 | 0 | 107.4 | | |
| 144 | E | 31.5 | Very low | 34.1 | Very low | 164 Ų | 164 | 138.4 Ų | 138.4 | 77% | 0.766 | 81% | 0.806 | S | S | * | * | | | trans | -78.2 | 153.6 | -169.2 | -152.3 | 169.1 | 128.8 | 0 | 0 | 112 | | |
| 145 | T | 32.1 | Very low | 34.1 | Very low | 133 Ų | 133 | 137.8 Ų | 137.8 | 82% | 0.816 | 80% | 0.801 | S | S | * | * | | | trans | -138.1 | 114.7 | 166.1 | -58.3 | 0 | 0 | 0 | 0 | 108.1 | | |
| 146 | E | 39.7 | Very low | 33.9 | Very low | 170 Ų | 170 | 137.6 Ų | 137.6 | 79% | 0.794 | 80% | 0.799 | S | S | * | * | | | trans | -118.6 | 139 | 171.3 | -82.6 | -72.4 | 141.2 | 0 | 0 | 108.7 | | |
| 147 | D | 34.3 | Very low | 34 | Very low | 130 Ų | 130 | 136.7 Ų | 136.7 | 70% | 0.695 | 79% | 0.793 | S | S | * | * | | | trans | -113.8 | 137 | -174.6 | 167.6 | 41.9 | 0 | 0 | 0 | 110 | G149 | D147-G149 PolarHBondContact OD1-N 3.07Š|
| 148 | L | 38.9 | Very low | 34 | Very low | 174 Ų | 174 | 139.8 Ų | 139.8 | 91% | 0.911 | 80% | 0.797 | S | S | * | * | | | trans | -146.9 | 97.8 | 159.9 | -75.9 | -176.6 | 0 | 0 | 0 | 108.8 | | |
| 149 | G | 29.8 | Very low | 34.1 | Very low | 62 Ų | 62 | 137.2 Ų | 137.2 | 64% | 0.639 | 79% | 0.786 | S | S | * | * | | | trans | -80.8 | -177 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | D147 | D147-G149 PolarHBondContact OD1-N 3.07Š|
| 150 | V | 34.4 | Very low | 34.1 | Very low | 149 Ų | 149 | 137.1 Ų | 137.1 | 90% | 0.903 | 79% | 0.785 | S | S | * | * | | | trans | -142.9 | 137.6 | 151.7 | 128.9 | 0 | 0 | 0 | 0 | 109.5 | | |
| 151 | E | 35 | Very low | 33.9 | Very low | 172 Ų | 172 | 137.9 Ų | 137.9 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | | | trans | -83.5 | 141.5 | -176.2 | -177.4 | -164.2 | 150.2 | 0 | 0 | 111.7 | | |
| 152 | T | 33.9 | Very low | 33.3 | Very low | 136 Ų | 136 | 133.5 Ų | 133.5 | 83% | 0.834 | 77% | 0.769 | S | S | * | * | | | trans | -169.7 | 116.7 | 137.1 | 9.7 | 0 | 0 | 0 | 0 | 112.8 | | |
| 153 | D | 32.3 | Very low | 33.2 | Very low | 144 Ų | 144 | 132.7 Ų | 132.7 | 77% | 0.77 | 77% | 0.769 | S | S | * | * | | | trans | -75.8 | -179.1 | 162.7 | -118.2 | -26.5 | 0 | 0 | 0 | 110.5 | | |
| 154 | P | 52.1 | Low | 32.8 | Very low | 104 Ų | 104 | 131 Ų | 131 | 68% | 0.675 | 76% | 0.763 | S | S | * | * | | | cis | -141 | -175.9 | -13.5 | 31.2 | -8 | 0 | 0 | 0 | 115.7 | | |
| 155 | S | 31.2 | Very low | 33.2 | Very low | 97 Ų | 97 | 127.5 Ų | 127.5 | 68% | 0.678 | 76% | 0.758 | S | S | * | * | | | | 102.6 | 129.3 | 124.8 | -123.6 | 0 | 0 | 0 | 0 | 124.6 | | |
| 156 | V | 27.9 | Very low | 33.4 | Very low | 137 Ų | 137 | 126.8 Ų | 126.8 | 83% | 0.83 | 76% | 0.758 | S | S | * | * | | | trans | 62.2 | 136.9 | 146.1 | -68.2 | 0 | 0 | 0 | 0 | 125.5 | | |
| 157 | S | 34 | Very low | 33 | Very low | 96 Ų | 96 | 125.6 Ų | 125.6 | 67% | 0.671 | 76% | 0.757 | S | S | * | * | | | trans | -66.8 | 155.4 | 170 | -36.8 | 0 | 0 | 0 | 0 | 115.2 | | |
| 158 | N | 27.5 | Very low | 33.2 | Very low | 157 Ų | 157 | 128.3 Ų | 128.3 | 84% | 0.84 | 76% | 0.762 | S | S | * | * | | | | 170.5 | 149.3 | 104.1 | -91.5 | -34.3 | 0 | 0 | 0 | 116 | | |
| 159 | S | 32.7 | Very low | 32.8 | Very low | 103 Ų | 103 | 124.7 Ų | 124.7 | 72% | 0.72 | 75% | 0.748 | S | S | * | * | | | trans | 56.9 | 105.6 | 140.2 | -178.1 | 0 | 0 | 0 | 0 | 121.8 | | |
| 160 | G | 28.1 | Very low | 33 | Very low | 59 Ų | 59 | 127.3 Ų | 127.3 | 61% | 0.608 | 75% | 0.752 | S | S | * | * | | | | 75.3 | 153.3 | 99.3 | 0 | 0 | 0 | 0 | 0 | 121.4 | | |
| 161 | Y | 29.5 | Very low | 32.7 | Very low | 212 Ų | 212 | 127.7 Ų | 127.7 | 83% | 0.831 | 75% | 0.748 | S | S | * | * | | | trans | 61.6 | 157 | 169.1 | 84.7 | -101.7 | 0 | 0 | 0 | 117.5 | | |
| 162 | T | 29.4 | Very low | 32.8 | Very low | 106 Ų | 106 | 125 Ų | 125 | 65% | 0.65 | 74% | 0.744 | S | S | * | * | | | cis | -163.6 | 173.5 | -29.3 | 29.3 | 0 | 0 | 0 | 0 | 106.8 | | |
| 163 | T | 27.2 | Very low | 33 | Very low | 138 Ų | 138 | 124.2 Ų | 124.2 | 85% | 0.847 | 74% | 0.744 | S | S | * | * | | | trans | 71.8 | 161.6 | 167.6 | 82.1 | 0 | 0 | 0 | 0 | 115 | | |
| 164 | S | 28.3 | Very low | 33.4 | Very low | 107 Ų | 107 | 124.8 Ų | 124.8 | 75% | 0.748 | 74% | 0.739 | S | S | * | * | | | cis | -147 | 158.9 | 7 | -174 | 0 | 0 | 0 | 0 | 111.4 | | |
| 165 | S | 39.5 | Very low | 32.6 | Very low | 92 Ų | 92 | 129 Ų | 129 | 64% | 0.643 | 75% | 0.748 | S | S | * | * | | | trans | -66.6 | 151.4 | 158.9 | 178 | 0 | 0 | 0 | 0 | 111.7 | | |
| 166 | S | 35.4 | Very low | 32.8 | Very low | 117 Ų | 117 | 129.7 Ų | 129.7 | 82% | 0.818 | 74% | 0.743 | S | S | * | * | | | trans | -168.8 | 138.8 | 138.3 | -80.8 | 0 | 0 | 0 | 0 | 113.2 | | |
| 167 | D | 31.4 | Very low | 33.1 | Very low | 146 Ų | 146 | 127 Ų | 127 | 78% | 0.781 | 74% | 0.743 | S | S | * | * | | | trans | -68.9 | 158.1 | 169.4 | -52.3 | -93.7 | 0 | 0 | 0 | 114.1 | | |
| 168 | K | 37.8 | Very low | 33 | Very low | 186 Ų | 186 | 129.3 Ų | 129.3 | 81% | 0.809 | 75% | 0.748 | S | S | * | * | | | | 173 | 126.4 | 120.9 | -97.1 | -158.7 | 153.7 | -167.9 | 0 | 111.9 | | |
| 169 | T | 30.9 | Very low | 33.6 | Very low | 99 Ų | 99 | 128.2 Ų | 128.2 | 61% | 0.607 | 74% | 0.742 | S | S | * | * | | | | 51.8 | 139.9 | 85.6 | 76.4 | 0 | 0 | 0 | 0 | 115 | | |
| 170 | T | 34.5 | Very low | 33.6 | Very low | 117 Ų | 117 | 131.2 Ų | 131.2 | 72% | 0.718 | 74% | 0.744 | S | S | * | * | | | cis | 179 | 142 | -4.1 | 25.9 | 0 | 0 | 0 | 0 | 106.9 | | |
| 171 | D | 29.1 | Very low | 34 | Very low | 156 Ų | 156 | 135.3 Ų | 135.3 | 83% | 0.834 | 75% | 0.751 | S | S | * | * | | | trans | -174.2 | 119.6 | 146.8 | -132.6 | 15.2 | 0 | 0 | 0 | 106.9 | | |
| 172 | V | 36.3 | Very low | 34.1 | Very low | 116 Ų | 116 | 133.6 Ų | 133.6 | 70% | 0.703 | 75% | 0.751 | S | S | * | * | | | cis | 83.2 | 96.7 | 35.3 | -170.5 | 0 | 0 | 0 | 0 | 114.8 | | |
| 173 | S | 37.2 | Very low | 34.7 | Very low | 119 Ų | 119 | 136.4 Ų | 136.4 | 83% | 0.832 | 76% | 0.762 | S | S | * | * | | | trans | -176.2 | 160.4 | 137 | 50.1 | 0 | 0 | 0 | 0 | 110.5 | | |
| 174 | K | 40.6 | Very low | 35 | Very low | 157 Ų | 157 | 135.7 Ų | 135.7 | 68% | 0.683 | 76% | 0.757 | S | S | * | * | | | | -170.4 | 132.5 | -52.6 | 166 | 167.7 | 176.4 | 170.7 | 0 | 107.1 | D176 | K174-D176 WeakPolarHBondContact CE-OD2 3.21Å; K174-D176 IonicContact NZ-OD2 2.72Å |
| 175 | F | 35.1 | Very low | 35.3 | Very low | 193 Ų | 193 | 136.2 Ų | 136.2 | 85% | 0.846 | 76% | 0.756 | S | S | * | * | | | trans | 171.5 | 105.1 | 147.4 | -117.5 | -99.3 | 0 | 0 | 0 | 106 | | |
| 176 | D | 35.3 | Very low | 35.2 | Very low | 110 Ų | 110 | 139.1 Ų | 139.1 | 59% | 0.588 | 76% | 0.764 | S | S | * | * | | | | 87.4 | 125.7 | 66.6 | -75.5 | -46.4 | 0 | 0 | 0 | 113.3 | K174 | K174-D176 WeakPolarHBondContact CE-OD2 3.21Å; K174-D176 IonicContact NZ-OD2 2.72Å |
| 177 | G | 34.7 | Very low | 35.4 | Very low | 80 Ų | 80 | 139.7 Ų | 139.7 | 83% | 0.825 | 77% | 0.768 | S | S | * | * | | | trans | 110.2 | 120.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 178 | D | 32.5 | Very low | 35.4 | Very low | 145 Ų | 145 | 136.2 Ų | 136.2 | 78% | 0.775 | 77% | 0.767 | S | S | * | * | | | cis | 175.2 | 164.8 | -26 | -177.4 | 21.2 | 0 | 0 | 0 | 105.5 | | |
| 179 | L | 40.8 | Very low | 35.4 | Very low | 135 Ų | 135 | 135.5 Ų | 135.5 | 71% | 0.707 | 77% | 0.772 | S | S | * | * | | | trans | 79.9 | 85.2 | 168.3 | -50.2 | -177.2 | 0 | 0 | 0 | 120.2 | | |
| 180 | E | 32.3 | Very low | 35.6 | Very low | 166 Ų | 166 | 134.7 Ų | 134.7 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | | | | 43.3 | 127.7 | 121.9 | -61.2 | -159.1 | 131.6 | 0 | 0 | 124.5 | | |
| 181 | L | 37 | Very low | 36.2 | Very low | 144 Ų | 144 | 134.3 Ų | 134.3 | 75% | 0.754 | 78% | 0.778 | S | S | * | * | | | | 49.5 | 117.5 | 128.9 | -61.6 | 165.7 | 0 | 0 | 0 | 120.5 | | |
| 182 | E | 31.3 | Very low | 37 | Very low | 177 Ų | 177 | 135.9 Ų | 135.9 | 83% | 0.827 | 78% | 0.78 | S | S | * | * | | | | -174.2 | 170.1 | 85.7 | -93 | -149 | 144.9 | 0 | 0 | 112.2 | | |
| 183 | N | 41.5 | Very low | 37.5 | Very low | 165 Ų | 165 | 137.3 Ų | 137.3 | 88% | 0.882 | 78% | 0.783 | S | S | * | * | | | trans | -117.2 | 101.6 | -169.5 | -172.7 | 35 | 0 | 0 | 0 | 109.9 | | |
| 184 | V | 33.1 | Very low | 38.1 | Very low | 123 Ų | 123 | 137.9 Ų | 137.9 | 75% | 0.745 | 78% | 0.777 | S | S | * | * | | | trans | -133.8 | 142.9 | -177.5 | -169.9 | 0 | 0 | 0 | 0 | 112.8 | | |
| 185 | T | 34 | Very low | 38.7 | Very low | 118 Ų | 118 | 137.9 Ų | 137.9 | 72% | 0.724 | 78% | 0.784 | S | S | * | * | | | trans | -69.3 | 147.6 | -174.7 | 51.4 | 0 | 0 | 0 | 0 | 115.8 | | |
| 186 | N | 38.8 | Very low | 39.4 | Very low | 153 Ų | 153 | 135.3 Ų | 135.3 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | | | trans | 28.1 | 112.2 | 147.5 | -61.3 | -17.2 | 0 | 0 | 0 | 119.6 | | |
| 187 | S | 38.2 | Very low | 40.9 | Very low | 128 Ų | 128 | 137.6 Ų | 137.6 | 90% | 0.895 | 79% | 0.789 | S | S | * | * | | | | 164.4 | 154.1 | 128.9 | 47.2 | 0 | 0 | 0 | 0 | 112.9 | | |
| 188 | G | 33.2 | Very low | 42.2 | Very low | 74 Ų | 74 | 140.9 Ų | 140.9 | 76% | 0.763 | 79% | 0.787 | S | S | * | * | | | trans | 81.1 | 111.6 | 176 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 189 | D | 36.9 | Very low | 44 | Very low | 171 Ų | 171 | 138.4 Ų | 138.4 | 91% | 0.914 | 78% | 0.778 | S | S | * | * | | | cis | 78.3 | 146.5 | 49.4 | -163 | 25.7 | 0 | 0 | 0 | 114.3 | | |
| 190 | A | 35.7 | Very low | 45.4 | Very low | 81 Ų | 81 | 135.1 Ų | 135.1 | 67% | 0.669 | 77% | 0.765 | S | S | * | * | | | trans | 103.2 | 115.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 191 | S | 46.6 | Very low | 47.2 | Very low | 110 Ų | 110 | 131.5 Ų | 131.5 | 77% | 0.769 | 76% | 0.756 | S | S | * | * | | | trans | 78.4 | 72.8 | 156.1 | 64.5 | 0 | 0 | 0 | 0 | 119.6 | | |
| 192 | E | 44.9 | Very low | 48.6 | Very low | 189 Ų | 189 | 130.7 Ų | 130.7 | 88% | 0.883 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -86.4 | 144.6 | 132.4 | 67.9 | -175.3 | 144 | 0 | 0 | 109.6 | D194 | E192-D194 PolarHBondContact O-N 3.38Š|
| 193 | N | 47.7 | Very low | 50.3 | Low | 145 Ų | 145 | 129.8 Ų | 129.8 | 78% | 0.775 | 76% | 0.758 | S | S | * | * | | | trans | -80 | 95.8 | -171.1 | -68.8 | 12 | 0 | 0 | 0 | 111.5 | L195 | N193-L195 PolarHBondContact O-N 3.5Å; N193-L195 VanDerWaalsContact O-N 3.07Å |
| 194 | D | 50.8 | Low | 51.1 | Low | 131 Ų | 131 | 129.5 Ų | 129.5 | 70% | 0.701 | 75% | 0.75 | S | S | * | * | | | trans | 17.2 | 83.3 | 130.2 | -165 | 26 | 0 | 0 | 0 | 115.5 | E192 | E192-D194 PolarHBondContact O-N 3.38Š|
| 195 | L | 52.6 | Low | 52.8 | Low | 158 Ų | 158 | 131.7 Ų | 131.7 | 83% | 0.827 | 74% | 0.744 | S | S | * | * | | | trans | -110.1 | 96.6 | 156.5 | -74.7 | 177.5 | 0 | 0 | 0 | 106.6 | N193 I197 | N193-L195 PolarHBondContact O-N 3.5Å; N193-L195 VanDerWaalsContact O-N 3.07Å; L195-I197 PolarHBondContact O-N 3.32Å |
| 196 | D | 49.7 | Very low | 54.5 | Low | 139 Ų | 139 | 133.9 Ų | 133.9 | 74% | 0.743 | 75% | 0.752 | S | S | * | * | | | trans | -43.1 | 97 | 172.8 | -89.3 | -49.9 | 0 | 0 | 0 | 111.6 | I198 | D196-I198 VanDerWaalsContact C-N 3.27Å; D196-I198 PolarHBondContact O-N 3.39Å |
| 197 | I | 65.9 | Low | 55.9 | Low | 157 Ų | 157 | 135.2 Ų | 135.2 | 81% | 0.805 | 75% | 0.753 | S | S | * | * | | | trans | -72.7 | 92.1 | 165.9 | -62.3 | 173.2 | 0 | 0 | 0 | 105.4 | L195 P199 | L195-I197 PolarHBondContact O-N 3.32Å; I197-P199 VanDerWaalsContact O-CD 3.25Å; I197-P199 WeakPolarHBondContact O-CD 3.23Å |
| 198 | I | 62.9 | Low | 56.9 | Low | 149 Ų | 149 | 134.6 Ų | 134.6 | 76% | 0.764 | 75% | 0.746 | S | S | * | * | | | trans | -51.2 | 113.7 | 174.6 | -58.6 | 175.3 | 0 | 0 | 0 | 107.4 | D196 | D196-I198 VanDerWaalsContact C-N 3.27Å; D196-I198 PolarHBondContact O-N 3.39Å |
| 199 | P | 70.5 | Confident | 57.8 | Low | 93 Ų | 93 | 139.5 Ų | 139.5 | 60% | 0.604 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 147.5 | -179.1 | 25.7 | -33.2 | 0 | 0 | 0 | 109.2 | I197 | I197-P199 VanDerWaalsContact O-CD 3.25Å; I197-P199 WeakPolarHBondContact O-CD 3.23Å |
| 200 | P | 70.1 | Confident | 58.7 | Low | 66 Ų | 66 | 136.4 Ų | 136.4 | 43% | 0.429 | 74% | 0.738 | S | S | . | * | P | Polyproline II helix | trans | -57.1 | 144.9 | 176.1 | 26 | -34.4 | 0 | 0 | 0 | 109.8 | F204 | P200-F204 HydrophobicContact CB-CB 4.36Š|
| 201 | P | 70.2 | Confident | 59 | Low | 90 Ų | 90 | 140.4 Ų | 140.4 | 58% | 0.584 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 146.4 | -178.4 | 20.3 | -30.7 | 0 | 0 | 0 | 111 | D203 F204 | P201-D203 PolarHBondContact O-N 3.09Å; P201-F204 HydrophobicContact CG-CD2 4Å; P201-F204 HydrophobicContact CG-CE2 4.47Å; P201-F204 PolarHBondContact O-N 3.38Å |
| 202 | T | 66 | Low | 59.1 | Low | 128 Ų | 128 | 142.8 Ų | 142.8 | 79% | 0.785 | 75% | 0.751 | S | S | * | * | G | 310 helix | trans | -54.3 | -25.3 | -166.5 | -36.5 | 0 | 0 | 0 | 0 | 114.5 | F204 R205 | T202-F204 PolarHBondContact O-N 2.72Å; T202-F204 VanDerWaalsContact O-N 3.15Å; T202-R205 PolarHBondContact O-N 2.8Å |
| 203 | D | 66.4 | Low | 59.2 | Low | 158 Ų | 158 | 138.9 Ų | 138.9 | 85% | 0.845 | 74% | 0.742 | S | S | * | * | G | 310 helix | trans | -62.8 | -10.2 | 173.1 | -131.1 | 27.8 | 0 | 0 | 0 | 114.4 | P201 | P201-D203 PolarHBondContact O-N 3.09Š|
| 204 | F | 59 | Low | 59.1 | Low | 159 Ų | 159 | 138 Ų | 138 | 70% | 0.697 | 75% | 0.745 | S | S | * | * | G | 310 helix | trans | -119.6 | 19.3 | 179.1 | -69 | -94.8 | 0 | 0 | 0 | 112.8 | P200 P201 T202 | P200-F204 HydrophobicContact CB-CB 4.36Å; P201-F204 HydrophobicContact CG-CD2 4Å; P201-F204 HydrophobicContact CG-CE2 4.47Å; P201-F204 PolarHBondContact O-N 3.38Å; T202-F204 PolarHBondContact O-N 2.72Å; T202-F204 VanDerWaalsContact O-N 3.15Å |
| 205 | R | 67.9 | Low | 58.7 | Low | 169 Ų | 169 | 141.4 Ų | 141.4 | 64% | 0.638 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -108.4 | 110.1 | 169.9 | -60.5 | -108.4 | 74.8 | -173.7 | 2.3 | 106.9 | T202 E207 | T202-R205 PolarHBondContact O-N 2.8Å; R205-E207 PolarHBondContact O-N 3.2Å |
| 206 | D | 69.9 | Low | 58.2 | Low | 164 Ų | 164 | 137.9 Ų | 137.9 | 88% | 0.877 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 124.7 | 165.2 | -61.5 | -53.3 | 0 | 0 | 0 | 107.7 | | |
| 207 | E | 69.7 | Low | 57.8 | Low | 181 Ų | 181 | 139.6 Ų | 139.6 | 85% | 0.846 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 127.2 | -178.1 | -169.6 | 177.6 | -134.9 | 0 | 0 | 108.9 | R205 E209 | R205-E207 PolarHBondContact O-N 3.2Å; E207-E209 PolarHBondContact O-N 3.36Å; E207-E209 VanDerWaalsContact O-N 3.16Å |
| 208 | P | 58.8 | Low | 56.5 | Low | 114 Ų | 114 | 139.3 Ų | 139.3 | 74% | 0.74 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 117.1 | 175.2 | 27.1 | -32.4 | 0 | 0 | 0 | 109.2 | | |
| 209 | E | 52.3 | Low | 55.6 | Low | 177 Ų | 177 | 138.8 Ų | 138.8 | 83% | 0.827 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 130.8 | 173.3 | -171 | 172.1 | -162.4 | 0 | 0 | 109.7 | E207 D211 | E207-E209 PolarHBondContact O-N 3.36Å; E207-E209 VanDerWaalsContact O-N 3.16Å; E209-D211 PolarHBondContact O-N 3.39Å; E209-D211 VanDerWaalsContact O-N 3.13Å |
| 210 | P | 55.2 | Low | 54 | Low | 106 Ų | 106 | 140.8 Ų | 140.8 | 69% | 0.688 | 78% | 0.775 | S | S | * | * | | | trans | -70.6 | 112.5 | -175.5 | 26.3 | -33.4 | 0 | 0 | 0 | 111.1 | L212 | P210-L212 PolarHBondContact O-N 3.07Å; P210-L212 VanDerWaalsContact O-N 3.09Å |
| 211 | D | 42.2 | Very low | 53 | Low | 165 Ų | 165 | 142.8 Ų | 142.8 | 88% | 0.882 | 79% | 0.788 | S | S | * | * | | | trans | -50.6 | 113.2 | 171.8 | -79.7 | -47.6 | 0 | 0 | 0 | 111.2 | E209 | E209-D211 PolarHBondContact O-N 3.39Å; E209-D211 VanDerWaalsContact O-N 3.13Å |
| 212 | L | 48.9 | Very low | 51.9 | Low | 160 Ų | 160 | 144 Ų | 144 | 84% | 0.838 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 126.7 | 169 | -69.3 | 176.7 | 0 | 0 | 0 | 109.7 | P210 | P210-L212 PolarHBondContact O-N 3.07Å; P210-L212 VanDerWaalsContact O-N 3.09Å |
| 213 | P | 46 | Very low | 51 | Low | 107 Ų | 107 | 144 Ų | 144 | 70% | 0.695 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -70 | 160.4 | -178.5 | 28.5 | -34.8 | 0 | 0 | 0 | 112.6 | E215 | P213-E215 PolarHBondContact O-N 2.98Š|
| 214 | P | 46.7 | Very low | 49.6 | Very low | 128 Ų | 128 | 145 Ų | 145 | 83% | 0.831 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 118.9 | -164.8 | 30.6 | -35.5 | 0 | 0 | 0 | 113.3 | | |
| 215 | E | 41.9 | Very low | 48.7 | Very low | 201 Ų | 201 | 143.5 Ų | 143.5 | 94% | 0.939 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 127.6 | 157.7 | -72.4 | -147.4 | 135.5 | 0 | 0 | 110.5 | P213 | P213-E215 PolarHBondContact O-N 2.98Š|
| 216 | A | 41.1 | Very low | 47.2 | Very low | 84 Ų | 84 | 143.8 Ų | 143.8 | 69% | 0.694 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -98.4 | 161 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 217 | M | 41.9 | Very low | 45.7 | Very low | 176 Ų | 176 | 142.2 Ų | 142.2 | 87% | 0.867 | 81% | 0.809 | S | S | * | * | | | trans | 79.2 | 103.8 | 160.6 | -47.6 | -162.9 | 176.7 | 0 | 0 | 117.9 | | |
| 218 | T | 38.5 | Very low | 44.2 | Very low | 150 Ų | 150 | 142.1 Ų | 142.1 | 92% | 0.92 | 81% | 0.811 | S | S | * | * | | | | -155.2 | 134.5 | 112 | 9.2 | 0 | 0 | 0 | 0 | 110.7 | | |
| 219 | V | 43.4 | Very low | 43 | Very low | 138 Ų | 138 | 142.1 Ų | 142.1 | 84% | 0.836 | 81% | 0.808 | S | S | * | * | | | trans | -111.6 | 122.7 | -175.7 | 170.2 | 0 | 0 | 0 | 0 | 109.6 | | |
| 220 | V | 37.1 | Very low | 42.6 | Very low | 135 Ų | 135 | 138.8 Ų | 138.8 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | | | trans | -146.6 | 133.1 | 161 | -174.8 | 0 | 0 | 0 | 0 | 109.3 | | |
| 221 | P | 49.7 | Very low | 42 | Very low | 108 Ų | 108 | 139.4 Ų | 139.4 | 70% | 0.701 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -88.6 | 171.8 | -173.7 | 36.3 | -37.4 | 0 | 0 | 0 | 114.4 | | |
| 222 | P | 46.6 | Very low | 42.2 | Very low | 117 Ų | 117 | 137.7 Ų | 137.7 | 76% | 0.76 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -87.5 | 151.7 | -172.7 | 35.1 | -35.8 | 0 | 0 | 0 | 114.1 | | |
| 223 | P | 47 | Very low | 41.5 | Very low | 127 Ų | 127 | 139.1 Ų | 139.1 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -93.1 | 159.4 | 168 | 35.9 | -32.4 | 0 | 0 | 0 | 113.3 | | |
| 224 | E | 36.8 | Very low | 40.9 | Very low | 178 Ų | 178 | 140.3 Ų | 140.3 | 83% | 0.832 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -93.6 | 172.4 | -163.6 | -58.1 | 173.2 | 136.2 | 0 | 0 | 114.8 | | |
| 225 | T | 40.3 | Very low | 40.4 | Very low | 128 Ų | 128 | 141.7 Ų | 141.7 | 79% | 0.785 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 130.7 | 170.4 | 48.2 | 0 | 0 | 0 | 0 | 113.3 | | |
| 226 | M | 37.8 | Very low | 39.8 | Very low | 176 Ų | 176 | 137.7 Ų | 137.7 | 87% | 0.867 | 80% | 0.799 | S | S | * | * | | | trans | -138.7 | 129.9 | 157 | -79.3 | -61.8 | 154 | 0 | 0 | 112.7 | | |
| 227 | T | 38.8 | Very low | 39.7 | Very low | 130 Ų | 130 | 141 Ų | 141 | 80% | 0.798 | 81% | 0.81 | S | S | * | * | | | trans | -76.3 | 140.4 | 174.4 | -52.4 | 0 | 0 | 0 | 0 | 111 | | |
| 228 | M | 36.6 | Very low | 39.3 | Very low | 180 Ų | 180 | 141.8 Ų | 141.8 | 89% | 0.887 | 81% | 0.812 | S | S | * | * | | | trans | -147.4 | 150.5 | 156.6 | -113.6 | -164.3 | 75.9 | 0 | 0 | 113.4 | | |
| 229 | V | 35 | Very low | 39.2 | Very low | 113 Ų | 113 | 139 Ų | 139 | 69% | 0.685 | 80% | 0.803 | S | S | * | * | | | trans | -107 | -167.2 | -171.8 | -154.3 | 0 | 0 | 0 | 0 | 109.3 | | |
| 230 | P | 44 | Very low | 38.8 | Very low | 108 Ų | 108 | 138.3 Ų | 138.3 | 70% | 0.701 | 80% | 0.8 | S | S | * | * | | | | -96 | 176.7 | -116.4 | 40.2 | -25.1 | 0 | 0 | 0 | 115.6 | | |
| 231 | P | 41.9 | Very low | 38.5 | Very low | 118 Ų | 118 | 137.8 Ų | 137.8 | 77% | 0.766 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 157.6 | 168.1 | 32.5 | -35.5 | 0 | 0 | 0 | 113.4 | | |
| 232 | P | 46.1 | Very low | 37.7 | Very low | 129 Ų | 129 | 138.5 Ų | 138.5 | 84% | 0.838 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -90.3 | 167.1 | -166.3 | 36.1 | -37.8 | 0 | 0 | 0 | 116.4 | | |
| 233 | E | 34.2 | Very low | 37 | Very low | 190 Ų | 190 | 139.5 Ų | 139.5 | 89% | 0.888 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -76 | 159.9 | -175.3 | -53.2 | 175.2 | 147.4 | 0 | 0 | 115 | | |
| 234 | T | 34.5 | Very low | 36.3 | Very low | 132 Ų | 132 | 141.2 Ų | 141.2 | 81% | 0.81 | 80% | 0.804 | S | S | * | * | | | trans | -137.7 | 118 | 161.9 | 56.3 | 0 | 0 | 0 | 0 | 113.3 | | |
| 235 | M | 34.4 | Very low | 37.2 | Very low | 157 Ų | 157 | 137.8 Ų | 137.8 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | | | trans | 62.7 | 91.2 | 145 | -56.9 | -79.6 | 88.2 | 0 | 0 | 120.1 | | |
| 236 | T | 30 | Very low | 37.6 | Very low | 117 Ų | 117 | 137.9 Ų | 137.9 | 72% | 0.718 | 80% | 0.8 | S | S | * | * | | | | 27.9 | 121.1 | 118.4 | 57.2 | 0 | 0 | 0 | 0 | 120.5 | | |
| 237 | V | 39.4 | Very low | 37.2 | Very low | 153 Ų | 153 | 138.6 Ų | 138.6 | 93% | 0.927 | 80% | 0.801 | S | S | * | * | | | | -144.1 | 150.5 | 129.3 | -87.1 | 0 | 0 | 0 | 0 | 109.6 | | |
| 238 | E | 34.2 | Very low | 37 | Very low | 194 Ų | 194 | 136.6 Ų | 136.6 | 91% | 0.907 | 80% | 0.798 | S | S | * | * | | | trans | -86.9 | 156.1 | -167.3 | -50.9 | -179.3 | 127.5 | 0 | 0 | 113.7 | | |
| 239 | A | 34.5 | Very low | 36.9 | Very low | 91 Ų | 91 | 134.3 Ų | 134.3 | 75% | 0.752 | 79% | 0.794 | S | S | * | * | | | | 160.4 | 125.2 | 116.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 240 | T | 35.2 | Very low | 36.8 | Very low | 124 Ų | 124 | 132.7 Ų | 132.7 | 76% | 0.761 | 79% | 0.793 | S | S | * | * | | | trans | 71.9 | 88.2 | 140.1 | -45.5 | 0 | 0 | 0 | 0 | 121.4 | | |
| 241 | T | 31.4 | Very low | 36.3 | Very low | 124 Ų | 124 | 135.1 Ų | 135.1 | 76% | 0.761 | 80% | 0.798 | S | S | * | * | | | | 59.4 | 131.7 | 118.1 | -31 | 0 | 0 | 0 | 0 | 122.9 | | |
| 242 | V | 33.5 | Very low | 35.8 | Very low | 122 Ų | 122 | 136.3 Ų | 136.3 | 74% | 0.739 | 80% | 0.803 | S | S | * | * | | | trans | 128.2 | 95 | 139 | -176.4 | 0 | 0 | 0 | 0 | 116 | | |
| 243 | V | 31.7 | Very low | 35.2 | Very low | 138 Ų | 138 | 135.2 Ų | 135.2 | 84% | 0.836 | 80% | 0.798 | S | S | * | * | | | trans | 61.5 | 144.5 | 131.2 | -174.5 | 0 | 0 | 0 | 0 | 121.9 | | |
| 244 | L | 33 | Very low | 35.9 | Very low | 164 Ų | 164 | 131.8 Ų | 131.8 | 86% | 0.859 | 79% | 0.792 | S | S | * | * | | | trans | -101.2 | -174.9 | -174.3 | -117.9 | 98.6 | 0 | 0 | 0 | 113.1 | | |
| 245 | P | 55 | Low | 36.2 | Very low | 105 Ų | 105 | 131.6 Ų | 131.6 | 68% | 0.682 | 79% | 0.794 | S | S | * | * | | | trans | -100.3 | -162.6 | -142.1 | 44.9 | -41.8 | 0 | 0 | 0 | 115.3 | | |
| 246 | P | 48.4 | Very low | 36 | Very low | 130 Ų | 130 | 129.1 Ų | 129.1 | 84% | 0.844 | 79% | 0.792 | S | S | * | * | | | | -153.5 | -163.4 | 85.1 | 41.2 | -19 | 0 | 0 | 0 | 117.7 | | |
| 247 | E | 29.7 | Very low | 36.2 | Very low | 191 Ų | 191 | 130.5 Ų | 130.5 | 89% | 0.893 | 80% | 0.795 | S | S | * | * | | | trans | -76.1 | -180 | -164 | -71.4 | -175.8 | 87.8 | 0 | 0 | 121.1 | | |
| 248 | A | 34.9 | Very low | 35.7 | Very low | 88 Ų | 88 | 131.3 Ų | 131.3 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | | | trans | 102.5 | 147.1 | 152.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 249 | T | 34.5 | Very low | 35.8 | Very low | 132 Ų | 132 | 131 Ų | 131 | 81% | 0.81 | 79% | 0.79 | S | S | * | * | | | cis | -161.8 | 163.8 | 14.9 | -21.5 | 0 | 0 | 0 | 0 | 112.6 | | |
| 250 | A | 32.3 | Very low | 35.8 | Very low | 79 Ų | 79 | 133.3 Ų | 133.3 | 65% | 0.653 | 80% | 0.795 | S | S | * | * | | | trans | 50.4 | 118.7 | 149.3 | 0 | 0 | 0 | 0 | 0 | 121.4 | | |
| 251 | I | 33.4 | Very low | 36 | Very low | 160 Ų | 160 | 136.1 Ų | 136.1 | 82% | 0.821 | 80% | 0.799 | S | S | * | * | | | | 65.2 | 115.6 | 79.3 | -60.1 | 165.5 | 0 | 0 | 0 | 115.5 | | |
| 252 | V | 31.8 | Very low | 36.2 | Very low | 142 Ų | 142 | 139.1 Ų | 139.1 | 86% | 0.861 | 81% | 0.805 | S | S | * | * | | | trans | -170.8 | 150.9 | 138.6 | 142.2 | 0 | 0 | 0 | 0 | 109.6 | | |
| 253 | S | 33.6 | Very low | 36.5 | Very low | 107 Ų | 107 | 142.1 Ų | 142.1 | 75% | 0.748 | 81% | 0.808 | S | S | * | * | | | trans | -108 | -175.8 | -166.6 | -51.9 | 0 | 0 | 0 | 0 | 112.8 | | |
| 254 | P | 49.4 | Very low | 37 | Very low | 117 Ų | 117 | 146.9 Ų | 146.9 | 76% | 0.76 | 81% | 0.811 | S | S | * | * | | | trans | -98.1 | -175.5 | -146.4 | 42.2 | -41.7 | 0 | 0 | 0 | 115.9 | | |
| 255 | P | 39.5 | Very low | 37.4 | Very low | 129 Ų | 129 | 145.2 Ų | 145.2 | 84% | 0.838 | 81% | 0.808 | S | S | * | * | | | | -130.8 | 175.4 | 129.2 | 38.8 | -29.7 | 0 | 0 | 0 | 114.9 | | |
| 256 | S | 31.4 | Very low | 37 | Very low | 105 Ų | 105 | 146.3 Ų | 146.3 | 73% | 0.734 | 81% | 0.812 | S | S | * | * | | | trans | -86.2 | 160.5 | -157.3 | -48.3 | 0 | 0 | 0 | 0 | 117.6 | | |
| 257 | N | 33.3 | Very low | 37 | Very low | 145 Ų | 145 | 144.2 Ų | 144.2 | 78% | 0.775 | 79% | 0.794 | S | S | * | * | | | trans | 36 | 124.3 | 140.5 | -56.7 | -5.3 | 0 | 0 | 0 | 120.4 | | |
| 258 | D | 28.7 | Very low | 38.2 | Very low | 170 Ų | 170 | 139.3 Ų | 139.3 | 91% | 0.909 | 78% | 0.777 | S | S | * | * | | | | -146.5 | 149 | 122 | -116.4 | -29.7 | 0 | 0 | 0 | 112.2 | | |
| 259 | F | 36 | Very low | 39 | Very low | 189 Ų | 189 | 139.6 Ų | 139.6 | 83% | 0.829 | 76% | 0.763 | S | S | * | * | | | trans | -88 | 137.7 | -176.1 | -105.1 | -106.3 | 0 | 0 | 0 | 111.6 | | |
| 260 | T | 34.5 | Very low | 40 | Very low | 139 Ų | 139 | 138.2 Ų | 138.2 | 85% | 0.853 | 75% | 0.747 | S | S | * | * | | | trans | -144.7 | 135.7 | 145.4 | 34.6 | 0 | 0 | 0 | 0 | 110.3 | | |
| 261 | E | 40.2 | Very low | 40.7 | Very low | 183 Ų | 183 | 141.1 Ų | 141.1 | 86% | 0.855 | 75% | 0.749 | S | S | * | * | | | trans | -70.3 | 141.8 | 176.7 | -60.9 | -170.8 | 127.3 | 0 | 0 | 111.4 | | |
| 262 | Q | 35.6 | Very low | 42 | Very low | 187 Ų | 187 | 141.2 Ų | 141.2 | 87% | 0.874 | 74% | 0.739 | S | S | * | * | | | trans | -129.5 | 107.5 | 164.8 | -153.6 | 171.9 | 40.9 | 0 | 0 | 111.5 | R264 | Q262-R264 PolarHBondContact O-N 2.93Š|
| 263 | K | 40.7 | Very low | 43.5 | Very low | 185 Ų | 185 | 141 Ų | 141 | 80% | 0.804 | 73% | 0.732 | S | S | * | * | | | trans | -55.3 | 119.8 | 172.2 | -66.7 | 176.8 | 176.3 | 179.2 | 0 | 109.9 | T265 | K263-T265 PolarHBondContact O-N 2.68Š|
| 264 | R | 40.7 | Very low | 44.2 | Very low | 237 Ų | 237 | 144.9 Ų | 144.9 | 89% | 0.894 | 73% | 0.731 | S | S | * | * | | | trans | -83.5 | 94.6 | 161.7 | -78.8 | -164.7 | -177.3 | 95.7 | 1.7 | 109.6 | Q262 V266 | Q262-R264 PolarHBondContact O-N 2.93Å; R264-V266 PolarHBondContact O-N 3.02Å |
| 265 | T | 42.8 | Very low | 44.2 | Very low | 130 Ų | 130 | 143.6 Ų | 143.6 | 80% | 0.798 | 73% | 0.73 | S | S | * | * | | | trans | -67.9 | 112.5 | 158 | 47.6 | 0 | 0 | 0 | 0 | 108.5 | K263 D267 | K263-T265 PolarHBondContact O-N 2.68Å; T265-D267 PolarHBondContact O-N 3.44Å |
| 266 | V | 45.3 | Very low | 44.7 | Very low | 128 Ų | 128 | 142.3 Ų | 142.3 | 78% | 0.776 | 72% | 0.724 | S | S | * | * | | | trans | -75 | 121.3 | 171 | 174.1 | 0 | 0 | 0 | 0 | 108.4 | R264 V268 | R264-V266 PolarHBondContact O-N 3.02Å; V266-V268 PolarHBondContact O-N 2.9Å |
| 267 | D | 49.5 | Very low | 45.1 | Very low | 85 Ų | 85 | 143.4 Ų | 143.4 | 46% | 0.455 | 73% | 0.726 | S | S | . | * | | | trans | -69.5 | 113.8 | 179.4 | 174 | 20 | 0 | 0 | 0 | 111.1 | T265 E269 Q270 | T265-D267 PolarHBondContact O-N 3.44Å; D267-E269 VanDerWaalsContact C-N 3.29Å; D267-E269 PolarHBondContact O-N 2.81Å; D267-E269 PolarHBondContact OD1-N 2.85Å; D267-Q270 WeakPolarHBondContact OD2-CG 3.43Å |
| 268 | V | 54.9 | Low | 45.3 | Very low | 89 Ų | 89 | 146.1 Ų | 146.1 | 54% | 0.539 | 73% | 0.731 | S | S | . | * | S | Bend | trans | -69 | -26.6 | -177.9 | 177.2 | 0 | 0 | 0 | 0 | 111.8 | V266 M271 | V266-V268 PolarHBondContact O-N 2.9Å; V268-M271 PolarHBondContact O-N 3.26Å |
| 269 | E | 51.7 | Low | 45.9 | Very low | 93 Ų | 93 | 149 Ų | 149 | 44% | 0.435 | 73% | 0.729 | S | S | . | * | H | α-helix | trans | -75.1 | -33.8 | -178.5 | -71.2 | -55.7 | 142.1 | 0 | 0 | 112.6 | D267 M271 R272 L273 | D267-E269 VanDerWaalsContact C-N 3.29Å; D267-E269 PolarHBondContact O-N 2.81Å; D267-E269 PolarHBondContact OD1-N 2.85Å; E269-M271 PolarHBondContact O-N 3.39Å; E269-M271 VanDerWaalsContact O-N 3.09Å; E269-R272 PolarHBondContact O-N 3.2Å; E269-R272 VanDerWaalsContact O-N 3.09Å; E269-R272 IonicContact OE1-CZ 2.81Å; E269-R272 IonicContact OE1-NH1 3.67Å; E269-R272 PolarHBondContact OE1-NH1 3.33Å; E269-R272 WeakPolarHBondContact OE2-CD 2.94Å; E269-R272 IonicContact OE2-NH1 3.16Å; E269-L273 PolarHBondContact O-N 3.33Å; E269-L273 VanDerWaalsContact O-N 3.13Å |
| 270 | Q | 55.1 | Low | 45.7 | Very low | 103 Ų | 103 | 145.3 Ų | 145.3 | 48% | 0.481 | 73% | 0.726 | S | S | . | * | H | α-helix | trans | -62.3 | -15.8 | 171.7 | -91.9 | -157.5 | 55.2 | 0 | 0 | 114.5 | D267 R274 | D267-Q270 WeakPolarHBondContact OD2-CG 3.43Å; Q270-R274 WeakPolarHBondContact O-CD 3.24Å; Q270-R274 WeakPolarHBondContact O-CG 3.49Å; Q270-R274 PolarHBondContact O-NE 3.24Å; Q270-R274 VanDerWaalsContact O-NE 3.09Å |
| 271 | M | 46.8 | Very low | 45.6 | Very low | 141 Ų | 141 | 144 Ų | 144 | 70% | 0.695 | 72% | 0.718 | S | S | * | * | H | α-helix | trans | -85.7 | -34.7 | 173.3 | -167.3 | 163.3 | 58.3 | 0 | 0 | 112.2 | V268 E269 | V268-M271 PolarHBondContact O-N 3.26Å; E269-M271 PolarHBondContact O-N 3.39Å; E269-M271 VanDerWaalsContact O-N 3.09Å |
| 272 | R | 59.9 | Low | 45.2 | Very low | 162 Ų | 162 | 141.1 Ų | 141.1 | 61% | 0.611 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -64.6 | -44 | 172.5 | -81.2 | -176.4 | 173 | 123.4 | 2.8 | 112.2 | E269 R274 A275 | E269-R272 PolarHBondContact O-N 3.2Å; E269-R272 VanDerWaalsContact O-N 3.09Å; E269-R272 IonicContact OE1-CZ 2.81Å; E269-R272 IonicContact OE1-NH1 3.67Å; E269-R272 PolarHBondContact OE1-NH1 3.33Å; E269-R272 WeakPolarHBondContact OE2-CD 2.94Å; E269-R272 IonicContact OE2-NH1 3.16Å; R272-R274 PolarHBondContact O-N 3.08Å; R272-A275 PolarHBondContact O-N 2.92Å; R272-A275 VanDerWaalsContact O-N 3.1Å |
| 273 | L | 63.3 | Low | 45 | Very low | 136 Ų | 136 | 138.6 Ų | 138.6 | 71% | 0.712 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.2 | -18.9 | -176.5 | -83.6 | 151.3 | 0 | 0 | 0 | 114.3 | E269 | E269-L273 PolarHBondContact O-N 3.33Å; E269-L273 VanDerWaalsContact O-N 3.13Å |
| 274 | R | 49 | Very low | 44.6 | Very low | 190 Ų | 190 | 134.5 Ų | 134.5 | 72% | 0.717 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.2 | -11 | 176.7 | -63.1 | 173 | -162.3 | -136.6 | 0.6 | 113.5 | Q270 R272 | Q270-R274 WeakPolarHBondContact O-CD 3.24Å; Q270-R274 WeakPolarHBondContact O-CG 3.49Å; Q270-R274 PolarHBondContact O-NE 3.24Å; Q270-R274 VanDerWaalsContact O-NE 3.09Å; R272-R274 PolarHBondContact O-N 3.08Å |
| 275 | A | 49.1 | Very low | 44.2 | Very low | 90 Ų | 90 | 128 Ų | 128 | 74% | 0.744 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -96.2 | -5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | R272 | R272-A275 PolarHBondContact O-N 2.92Å; R272-A275 VanDerWaalsContact O-N 3.1Å |
| 276 | S | 50.1 | Low | 43.4 | Very low | 101 Ų | 101 | 128.3 Ų | 128.3 | 71% | 0.706 | 69% | 0.693 | S | S | * | * | | | trans | -121.6 | 84.7 | -173.8 | -159.6 | 0 | 0 | 0 | 0 | 113 | | |
| 277 | V | 39.5 | Very low | 42.7 | Very low | 129 Ų | 129 | 127.2 Ų | 127.2 | 78% | 0.782 | 70% | 0.697 | S | S | * | * | | | trans | -125.1 | 90.7 | 164.7 | -178.7 | 0 | 0 | 0 | 0 | 110 | | |
| 278 | K | 37.5 | Very low | 41.9 | Very low | 202 Ų | 202 | 132 Ų | 132 | 88% | 0.878 | 72% | 0.717 | S | S | * | * | | | trans | -160.2 | 115.7 | 135.1 | -109 | 166.6 | -178 | -178.9 | 0 | 110.5 | | |
| 279 | R | 41.5 | Very low | 40.6 | Very low | 229 Ų | 229 | 135.5 Ų | 135.5 | 86% | 0.864 | 73% | 0.732 | S | S | * | * | | | trans | -64.6 | 158.2 | 164.9 | -68.1 | 171.9 | -85.4 | 157.1 | -5.7 | 108.5 | | |
| 280 | S | 31.7 | Very low | 39.6 | Very low | 112 Ų | 112 | 135.9 Ų | 135.9 | 78% | 0.783 | 75% | 0.745 | S | S | * | * | | | cis | -134.9 | 149.9 | 31.1 | 47.1 | 0 | 0 | 0 | 0 | 111.9 | | |
| 281 | V | 33.2 | Very low | 38.3 | Very low | 113 Ų | 113 | 135.9 Ų | 135.9 | 69% | 0.685 | 76% | 0.757 | S | S | * | * | | | cis | 75.2 | 99.3 | 42.8 | 179.2 | 0 | 0 | 0 | 0 | 113.6 | | |
| 282 | V | 31.3 | Very low | 37.6 | Very low | 121 Ų | 121 | 134.1 Ų | 134.1 | 73% | 0.733 | 76% | 0.758 | S | S | * | * | | | trans | 67 | 135.3 | 141.8 | 169.2 | 0 | 0 | 0 | 0 | 118.2 | | |
| 283 | D | 30.6 | Very low | 36.2 | Very low | 135 Ų | 135 | 136.1 Ų | 136.1 | 72% | 0.722 | 77% | 0.771 | S | S | * | * | | | cis | -163.2 | 168.3 | -14.9 | -110.6 | -30.9 | 0 | 0 | 0 | 112.2 | | |
| 284 | S | 33.3 | Very low | 34.5 | Very low | 99 Ų | 99 | 134 Ų | 134 | 69% | 0.692 | 77% | 0.774 | S | S | * | * | | | trans | 56.3 | 107.1 | 148.3 | 69.4 | 0 | 0 | 0 | 0 | 123.4 | | |
| 285 | S | 31.1 | Very low | 33.8 | Very low | 99 Ų | 99 | 129.7 Ų | 129.7 | 69% | 0.692 | 77% | 0.772 | S | S | * | * | | | | 59.1 | 124.8 | 123.1 | 67.5 | 0 | 0 | 0 | 0 | 124.8 | | |
| 286 | T | 27.8 | Very low | 32.9 | Very low | 137 Ų | 137 | 132.4 Ų | 132.4 | 84% | 0.84 | 77% | 0.774 | S | S | * | * | | | trans | 80.7 | 135.2 | 134.3 | 49.9 | 0 | 0 | 0 | 0 | 123.5 | | |
| 287 | A | 28.8 | Very low | 32.1 | Very low | 105 Ų | 105 | 132 Ų | 132 | 87% | 0.868 | 78% | 0.778 | S | S | * | * | | | trans | 102.7 | 131.9 | 154 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 288 | E | 33.6 | Very low | 31.8 | Very low | 187 Ų | 187 | 130.4 Ų | 130.4 | 87% | 0.874 | 78% | 0.778 | S | S | * | * | | | trans | -72.3 | 152.8 | 178.9 | -51.9 | -89.2 | 113.1 | 0 | 0 | 112.1 | | |
| 289 | D | 26.8 | Very low | 31.6 | Very low | 161 Ų | 161 | 126.1 Ų | 126.1 | 86% | 0.861 | 77% | 0.773 | S | S | * | * | | | | 172.8 | -178.3 | 103.2 | -158.6 | 7.9 | 0 | 0 | 0 | 111.9 | | |
| 290 | S | 31.4 | Very low | 31.3 | Very low | 101 Ų | 101 | 122.6 Ų | 122.6 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | | | trans | -76.2 | 154.3 | -152.8 | -136.6 | 0 | 0 | 0 | 0 | 120.6 | | |
| 291 | S | 28.2 | Very low | 31.4 | Very low | 103 Ų | 103 | 124 Ų | 124 | 72% | 0.72 | 77% | 0.769 | S | S | * | * | | | | 85.7 | 137.4 | 129.4 | -158.1 | 0 | 0 | 0 | 0 | 123.7 | | |
| 292 | S | 31 | Very low | 31.7 | Very low | 105 Ų | 105 | 124.1 Ų | 124.1 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | | | trans | 92.5 | 99.7 | 143.7 | 71.2 | 0 | 0 | 0 | 0 | 123.3 | | |
| 293 | K | 30.9 | Very low | 31.9 | Very low | 203 Ų | 203 | 125.5 Ų | 125.5 | 88% | 0.883 | 77% | 0.77 | S | S | * | * | | | | 65.7 | 119.5 | 108.3 | -148.7 | 179.8 | -170.3 | -177.4 | 0 | 122.4 | | |
| 294 | A | 28.6 | Very low | 31.9 | Very low | 92 Ų | 92 | 127.8 Ų | 127.8 | 76% | 0.76 | 78% | 0.779 | S | S | * | * | | | trans | 67.4 | 160.5 | 150.4 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 295 | S | 34.2 | Very low | 32.1 | Very low | 99 Ų | 99 | 129.6 Ų | 129.6 | 69% | 0.692 | 78% | 0.781 | S | S | * | * | | | cis | -156.2 | 163.5 | -6.4 | -131 | 0 | 0 | 0 | 0 | 111.4 | | |
| 296 | D | 30.6 | Very low | 32.4 | Very low | 147 Ų | 147 | 130.4 Ų | 130.4 | 79% | 0.786 | 78% | 0.784 | S | S | * | * | | | trans | 32.7 | 125.9 | 147 | -59.7 | -63.7 | 0 | 0 | 0 | 123.9 | | |
| 297 | A | 33.3 | Very low | 33 | Very low | 94 Ų | 94 | 130 Ų | 130 | 78% | 0.777 | 78% | 0.783 | S | S | * | * | | | | 175.4 | 104.9 | 107.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 298 | A | 31.7 | Very low | 33.3 | Very low | 95 Ų | 95 | 131.6 Ų | 131.6 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | | | | 54 | 92.6 | 100.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 299 | S | 33.3 | Very low | 33.3 | Very low | 112 Ų | 112 | 131.1 Ų | 131.1 | 78% | 0.783 | 78% | 0.78 | S | S | * | * | | | | 179.3 | 157.6 | 99.7 | -70.6 | 0 | 0 | 0 | 0 | 109.9 | | |
| 300 | L | 35.1 | Very low | 34.1 | Very low | 155 Ų | 155 | 129 Ų | 129 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | | | cis | -148.6 | -132 | -1.5 | -131.7 | 171.1 | 0 | 0 | 0 | 111.8 | | |
| 301 | L | 35.5 | Very low | 34.5 | Very low | 141 Ų | 141 | 130 Ų | 130 | 74% | 0.738 | 78% | 0.782 | S | S | * | * | | | trans | -137.4 | 173.4 | -174 | -75.9 | 177.5 | 0 | 0 | 0 | 110.3 | | |
| 302 | P | 38.4 | Very low | 35.4 | Very low | 115 Ų | 115 | 133.1 Ų | 133.1 | 75% | 0.747 | 79% | 0.785 | S | S | * | * | | | cis | -125.2 | 142.1 | 13.2 | 35 | -16.2 | 0 | 0 | 0 | 115.5 | | |
| 303 | Q | 35.3 | Very low | 36.2 | Very low | 150 Ų | 150 | 132.8 Ų | 132.8 | 70% | 0.701 | 78% | 0.781 | S | S | * | * | | | | 61.8 | 105.2 | 78.6 | -160.8 | -161.7 | 15 | 0 | 0 | 115.5 | | |
| 304 | M | 30.2 | Very low | 37.1 | Very low | 183 Ų | 183 | 134.9 Ų | 134.9 | 90% | 0.901 | 78% | 0.783 | S | S | * | * | | | trans | -150.3 | 133.1 | 139 | -77.5 | -142.8 | 77.5 | 0 | 0 | 109.7 | | |
| 305 | N | 37.9 | Very low | 38.6 | Very low | 137 Ų | 137 | 136.4 Ų | 136.4 | 73% | 0.733 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -98.4 | 150.8 | 175.6 | -70.2 | -18 | 0 | 0 | 0 | 110.8 | | |
| 306 | P | 38.4 | Very low | 40.2 | Very low | 116 Ų | 116 | 136.7 Ų | 136.7 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -94.4 | 159.8 | 145 | 34.1 | -27.4 | 0 | 0 | 0 | 111.4 | | |
| 307 | P | 39 | Very low | 41.8 | Very low | 128 Ų | 128 | 135.2 Ų | 135.2 | 83% | 0.831 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 155.7 | -160.3 | 31.8 | -36.6 | 0 | 0 | 0 | 115.8 | E309 | P307-E309 PolarHBondContact O-N 2.92Š|
| 308 | T | 35.7 | Very low | 43.2 | Very low | 139 Ų | 139 | 135.9 Ų | 135.9 | 85% | 0.853 | 78% | 0.782 | S | S | * | * | | | trans | -74.5 | 113.6 | 171.6 | -54.2 | 0 | 0 | 0 | 0 | 111.3 | | |
| 309 | E | 34.6 | Very low | 44.9 | Very low | 178 Ų | 178 | 137.4 Ų | 137.4 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | | | trans | -75.5 | 140.1 | 158.1 | -80.9 | -164.3 | 135.6 | 0 | 0 | 110.5 | P307 S311 | P307-E309 PolarHBondContact O-N 2.92Å; E309-S311 PolarHBondContact O-N 3.3Å |
| 310 | P | 41.8 | Very low | 46.8 | Very low | 116 Ų | 116 | 136 Ų | 136 | 75% | 0.753 | 78% | 0.776 | S | S | * | * | | | trans | -68.9 | 131.3 | 171.8 | 29.6 | -33 | 0 | 0 | 0 | 110.1 | E312 | P310-E312 PolarHBondContact O-N 3.04Š|
| 311 | S | 41.6 | Very low | 48.4 | Very low | 121 Ų | 121 | 134.5 Ų | 134.5 | 85% | 0.846 | 78% | 0.776 | S | S | * | * | | | trans | -68.4 | 99 | 178.5 | 47.2 | 0 | 0 | 0 | 0 | 111.5 | E309 | E309-S311 PolarHBondContact O-N 3.3Š|
| 312 | E | 46.4 | Very low | 50.2 | Low | 170 Ų | 170 | 136.8 Ų | 136.8 | 79% | 0.794 | 78% | 0.779 | S | S | * | * | | | trans | -63 | 126.4 | 171.1 | -168.1 | 178.6 | -162.7 | 0 | 0 | 109.5 | P310 R314 | P310-E312 PolarHBondContact O-N 3.04Å; E312-R314 PolarHBondContact O-N 3.41Å |
| 313 | P | 47.5 | Very low | 51.7 | Low | 97 Ų | 97 | 137.1 Ų | 137.1 | 63% | 0.63 | 78% | 0.782 | S | S | * | * | | | trans | -65.4 | 112.4 | 178.2 | 25.8 | -32.6 | 0 | 0 | 0 | 109 | N315 | P313-N315 VanDerWaalsContact C-N 3.28Å; P313-N315 PolarHBondContact O-N 3.26Å; P313-N315 PolarHBondContact O-ND2 3.23Å |
| 314 | R | 50.2 | Low | 53.6 | Low | 248 Ų | 248 | 139.5 Ų | 139.5 | 94% | 0.936 | 79% | 0.79 | S | S | * | * | | | trans | -61.1 | 85.2 | -178.8 | -173.1 | 177.9 | -176.2 | 160.9 | 2.5 | 111.2 | E312 | E312-R314 PolarHBondContact O-N 3.41Š|
| 315 | N | 59.9 | Low | 55.6 | Low | 124 Ų | 124 | 140.5 Ų | 140.5 | 66% | 0.663 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 146.3 | 174.1 | -73.1 | -58.7 | 0 | 0 | 0 | 110.1 | P313 | P313-N315 VanDerWaalsContact C-N 3.28Å; P313-N315 PolarHBondContact O-N 3.26Å; P313-N315 PolarHBondContact O-ND2 3.23Å |
| 316 | P | 67.6 | Low | 57.3 | Low | 105 Ų | 105 | 140.5 Ų | 140.5 | 68% | 0.682 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 154 | 169.1 | 27.6 | -34.5 | 0 | 0 | 0 | 109.8 | A318 | P316-A318 PolarHBondContact O-N 2.86Š|
| 317 | P | 63.9 | Low | 58.9 | Low | 116 Ų | 116 | 138.9 Ų | 138.9 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 135.4 | 178.1 | 23.6 | -34.3 | 0 | 0 | 0 | 110.1 | V319 | P317-V319 PolarHBondContact O-N 3.12Š|
| 318 | A | 63.5 | Low | 60.2 | Low | 108 Ų | 108 | 139.4 Ų | 139.4 | 89% | 0.893 | 79% | 0.785 | S | S | * | * | | | trans | -62.5 | 94.5 | -174.3 | 0 | 0 | 0 | 0 | 0 | 111 | P316 A320 | P316-A318 PolarHBondContact O-N 2.86Å; A318-A320 PolarHBondContact O-N 3.48Å |
| 319 | V | 67.9 | Low | 61.4 | Low | 127 Ų | 127 | 138.8 Ų | 138.8 | 77% | 0.77 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 122.5 | 171.3 | 180 | 0 | 0 | 0 | 0 | 107.3 | P317 | P317-V319 PolarHBondContact O-N 3.12Š|
| 320 | A | 71.9 | Confident | 62.8 | Low | 81 Ų | 81 | 134.8 Ų | 134.8 | 67% | 0.669 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -49.1 | 131 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | A318 K322 | A318-A320 PolarHBondContact O-N 3.48Å; A320-K322 PolarHBondContact O-N 3.34Å |
| 321 | P | 69.7 | Low | 63.8 | Low | 125 Ų | 125 | 136 Ų | 136 | 81% | 0.812 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 125.8 | -178 | 23 | -32.5 | 0 | 0 | 0 | 109.2 | | |
| 322 | K | 73.7 | Confident | 64.6 | Low | 188 Ų | 188 | 137.7 Ų | 137.7 | 82% | 0.817 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -51.2 | 134.7 | -176.8 | -69.6 | 177.1 | 179.8 | 173.2 | 0 | 109.6 | A320 K324 | A320-K322 PolarHBondContact O-N 3.34Å; K322-K324 PolarHBondContact O-N 2.74Å |
| 323 | P | 68.5 | Low | 64.8 | Low | 123 Ų | 123 | 138.5 Ų | 138.5 | 80% | 0.799 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 126.7 | -179.5 | 22.4 | -32.9 | 0 | 0 | 0 | 109.6 | K325 | P323-K325 PolarHBondContact O-N 2.69Š|
| 324 | K | 76.1 | Confident | 64.9 | Low | 200 Ų | 200 | 139 Ų | 139 | 87% | 0.87 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 124.6 | 176.3 | -72.3 | 179.5 | 176.7 | 175.2 | 0 | 107.8 | K322 L326 | K322-K324 PolarHBondContact O-N 2.74Å; K324-L326 PolarHBondContact O-N 2.99Å; K324-L326 VanDerWaalsContact O-N 3.09Å |
| 325 | K | 72.1 | Confident | 64.5 | Low | 204 Ų | 204 | 133.4 Ų | 133.4 | 89% | 0.887 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 117.8 | 175.5 | -70.7 | -179.9 | 177.6 | 179.2 | 0 | 108.2 | P323 | P323-K325 PolarHBondContact O-N 2.69Š|
| 326 | L | 72.8 | Confident | 63.5 | Low | 137 Ų | 137 | 136.9 Ų | 136.9 | 72% | 0.717 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 135.1 | 170.5 | -64.3 | 176.1 | 0 | 0 | 0 | 108.4 | K324 I330 | K324-L326 PolarHBondContact O-N 2.99Å; K324-L326 VanDerWaalsContact O-N 3.09Å; L326-I330 HydrophobicContact CB-CD1 4.03Å; L326-I330 HydrophobicContact CD1-CD1 4.34Å; L326-I330 HydrophobicContact CD2-CD1 3.89Å; L326-I330 HydrophobicContact CG-CD1 4.3Å |
| 327 | P | 73.1 | Confident | 62.1 | Low | 82 Ų | 82 | 136.8 Ų | 136.8 | 53% | 0.532 | 77% | 0.77 | S | S | . | * | P | Polyproline II helix | trans | -69.3 | 147.4 | 178.6 | 33 | -37.1 | 0 | 0 | 0 | 109.7 | N329 I330 | P327-N329 VanDerWaalsContact CB-OD1 3.28Å; P327-N329 WeakPolarHBondContact CB-OD1 3.35Å; P327-N329 PolarHBondContact O-N 3.43Å; P327-I330 PolarHBondContact O-N 3.04Å |
| 328 | S | 65.8 | Low | 61.1 | Low | 139 Ų | 139 | 137.2 Ų | 137.2 | 97% | 0.972 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.2 | 2.2 | -165.6 | -38.9 | 0 | 0 | 0 | 0 | 116 | | |
| 329 | N | 61.2 | Low | 60.1 | Low | 126 Ų | 126 | 138.4 Ų | 138.4 | 67% | 0.674 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.2 | 6.8 | -173.9 | 54.9 | -31.1 | 0 | 0 | 0 | 113.9 | P327 I331 | P327-N329 VanDerWaalsContact CB-OD1 3.28Å; P327-N329 WeakPolarHBondContact CB-OD1 3.35Å; P327-N329 PolarHBondContact O-N 3.43Å; N329-I331 PolarHBondContact O-N 2.95Å |
| 330 | I | 63.7 | Low | 59.1 | Low | 93 Ų | 93 | 139.4 Ų | 139.4 | 48% | 0.477 | 77% | 0.77 | S | S | . | * | | | trans | -74.8 | 95.4 | 166.8 | -54.9 | -174.8 | 0 | 0 | 0 | 109.2 | L326 P327 L332 | L326-I330 HydrophobicContact CB-CD1 4.03Å; L326-I330 HydrophobicContact CD1-CD1 4.34Å; L326-I330 HydrophobicContact CD2-CD1 3.89Å; L326-I330 HydrophobicContact CG-CD1 4.3Å; P327-I330 PolarHBondContact O-N 3.04Å; I330-L332 HydrophobicContact CG2-CD2 4.44Å; I330-L332 PolarHBondContact O-N 3.01Å; I330-L332 VanDerWaalsContact O-N 3.07Å |
| 331 | I | 63 | Low | 57.6 | Low | 142 Ų | 142 | 142.4 Ų | 142.4 | 73% | 0.728 | 78% | 0.779 | S | S | * | * | | | trans | -72 | 99.5 | 171.5 | -57.6 | 170.8 | 0 | 0 | 0 | 108 | N329 K333 | N329-I331 PolarHBondContact O-N 2.95Å; I331-K333 VanDerWaalsContact C-N 3.31Å; I331-K333 HydrophobicContact CG2-CG 4.01Å; I331-K333 PolarHBondContact O-N 3.42Å |
| 332 | L | 57.7 | Low | 56.5 | Low | 156 Ų | 156 | 141.1 Ų | 141.1 | 82% | 0.817 | 77% | 0.773 | S | S | * | * | | | trans | -66.4 | 93.3 | 165 | -68.2 | 176.3 | 0 | 0 | 0 | 108.5 | I330 S334 | I330-L332 HydrophobicContact CG2-CD2 4.44Å; I330-L332 PolarHBondContact O-N 3.01Å; I330-L332 VanDerWaalsContact O-N 3.07Å; L332-S334 PolarHBondContact O-N 3.16Å |
| 333 | K | 51 | Low | 54.9 | Low | 188 Ų | 188 | 141.1 Ų | 141.1 | 82% | 0.817 | 78% | 0.776 | S | S | * | * | | | trans | -68.3 | 90.4 | 176.5 | -66.3 | 175.1 | 68.4 | -180 | 0 | 109.3 | I331 | I331-K333 VanDerWaalsContact C-N 3.31Å; I331-K333 HydrophobicContact CG2-CG 4.01Å; I331-K333 PolarHBondContact O-N 3.42Å |
| 334 | S | 49.6 | Very low | 53.8 | Low | 108 Ų | 108 | 139.1 Ų | 139.1 | 76% | 0.755 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 126.7 | 168.2 | 46.2 | 0 | 0 | 0 | 0 | 109.6 | L332 K336 | L332-S334 PolarHBondContact O-N 3.16Å; S334-K336 PolarHBondContact O-N 2.88Å |
| 335 | P | 42.2 | Very low | 51.8 | Low | 129 Ų | 129 | 136.2 Ų | 136.2 | 84% | 0.838 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 134.2 | 179.4 | 25.7 | -32 | 0 | 0 | 0 | 110.9 | | |
| 336 | K | 38.1 | Very low | 50.7 | Low | 198 Ų | 198 | 132.9 Ų | 132.9 | 86% | 0.861 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 136.9 | 176.6 | -162.4 | 87.3 | 169.3 | -177.5 | 0 | 109.6 | S334 | S334-K336 PolarHBondContact O-N 2.88Š|
| 337 | S | 38.5 | Very low | 49.5 | Very low | 103 Ų | 103 | 128.6 Ų | 128.6 | 72% | 0.72 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 134.4 | 173.7 | 52.5 | 0 | 0 | 0 | 0 | 112.9 | | |
| 338 | P | 42.4 | Very low | 48.2 | Very low | 125 Ų | 125 | 133.8 Ų | 133.8 | 81% | 0.812 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -92.5 | 147.4 | 156.3 | 34.4 | -29.4 | 0 | 0 | 0 | 111.5 | | |
| 339 | T | 43.5 | Very low | 47.2 | Very low | 132 Ų | 132 | 132.6 Ų | 132.6 | 81% | 0.81 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 139.6 | -175.1 | -63.7 | 0 | 0 | 0 | 0 | 112.6 | | |
| 340 | L | 46.8 | Very low | 46.9 | Very low | 149 Ų | 149 | 132 Ų | 132 | 78% | 0.78 | 77% | 0.769 | S | S | * | * | | | trans | 40.6 | 99.6 | 151.8 | -163.8 | 79.3 | 0 | 0 | 0 | 118.6 | | |
| 341 | V | 40.2 | Very low | 46.5 | Very low | 143 Ų | 143 | 129.9 Ų | 129.9 | 87% | 0.867 | 76% | 0.761 | S | S | * | * | | | trans | -130 | 125.2 | 136.6 | -76.5 | 0 | 0 | 0 | 0 | 109.2 | | |
| 342 | S | 46.5 | Very low | 45.9 | Very low | 99 Ų | 99 | 126.3 Ų | 126.3 | 69% | 0.692 | 75% | 0.749 | S | S | * | * | | | trans | -97.2 | 99 | -176.3 | 164.5 | 0 | 0 | 0 | 0 | 110.6 | | |
| 343 | H | 40.4 | Very low | 45.7 | Very low | 187 Ų | 187 | 126 Ų | 126 | 87% | 0.866 | 74% | 0.743 | S | S | * | * | | | trans | -136.8 | 135 | 158.3 | -71.9 | -69.8 | 0 | 0 | 0 | 109.6 | | |
| 344 | G | 46.1 | Very low | 45.9 | Very low | 82 Ų | 82 | 120.5 Ų | 120.5 | 85% | 0.845 | 73% | 0.728 | S | S | * | * | | | trans | -84.5 | 142.4 | -153 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 345 | N | 33.5 | Very low | 46.4 | Very low | 138 Ų | 138 | 119.4 Ų | 119.4 | 74% | 0.738 | 71% | 0.714 | S | S | * | * | | | trans | -157.4 | 118.6 | 149.9 | -165.1 | 3.7 | 0 | 0 | 0 | 109.5 | G347 | N345-G347 PolarHBondContact O-N 3.4Š|
| 346 | P | 49.6 | Very low | 47.2 | Very low | 135 Ų | 135 | 120 Ų | 120 | 88% | 0.877 | 70% | 0.699 | S | S | * | * | | | trans | -83.3 | 82.8 | -179.8 | 33.2 | -33 | 0 | 0 | 0 | 110.7 | | |
| 347 | G | 46.7 | Very low | 48.3 | Very low | 46 Ų | 46 | 117.6 Ų | 117.6 | 47% | 0.474 | 69% | 0.693 | S | S | . | * | S | Bend | trans | -139.5 | 97.8 | 179 | 0 | 0 | 0 | 0 | 0 | 112.5 | N345 | N345-G347 PolarHBondContact O-N 3.4Š|
| 348 | H | 46.6 | Very low | 49.6 | Very low | 191 Ų | 191 | 120 Ų | 120 | 88% | 0.884 | 70% | 0.697 | S | S | * | * | | | trans | 64.6 | 50.1 | 167.6 | -49.1 | -75.2 | 0 | 0 | 0 | 117.5 | V350 | H348-V350 PolarHBondContact O-N 3.37Š|
| 349 | S | 44.3 | Very low | 51.3 | Low | 114 Ų | 114 | 116.8 Ų | 116.8 | 80% | 0.797 | 67% | 0.672 | S | S | * | * | | | trans | -69.8 | 112.4 | 150.4 | 38.1 | 0 | 0 | 0 | 0 | 109.5 | P351 | S349-P351 WeakPolarHBondContact O-CD 3.5Š|
| 350 | V | 53.9 | Low | 53.2 | Low | 114 Ų | 114 | 114.5 Ų | 114.5 | 69% | 0.691 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 122.9 | 168.6 | 176.2 | 0 | 0 | 0 | 0 | 107.6 | H348 S352 | H348-V350 PolarHBondContact O-N 3.37Å; V350-S352 PolarHBondContact O-N 2.91Å |
| 351 | P | 56.3 | Low | 55.2 | Low | 48 Ų | 48 | 112.5 Ų | 112.5 | 31% | 0.312 | 65% | 0.651 | S | S | . | * | P | Polyproline II helix | trans | -57.8 | 129.9 | -179 | -25.7 | 34.5 | 0 | 0 | 0 | 110.8 | S349 D355 R356 | S349-P351 WeakPolarHBondContact O-CD 3.5Å; P351-D355 HydrophobicContact CB-CB 4.02Å; P351-R356 HydrophobicContact CB-CG 4.16Å; P351-R356 PolarHBondContact O-NE 3.33Å; P351-R356 PolarHBondContact O-NH2 2.94Å |
| 352 | S | 49.1 | Very low | 57.5 | Low | 68 Ų | 68 | 112.2 Ų | 112.2 | 48% | 0.476 | 64% | 0.64 | S | S | . | * | P | Polyproline II helix | trans | -58.5 | 156.1 | 174.1 | -175.9 | 0 | 0 | 0 | 0 | 109.4 | V350 S354 D355 R356 | V350-S352 PolarHBondContact O-N 2.91Å; S352-S354 PolarHBondContact O-N 2.93Å; S352-S354 PolarHBondContact OG-OG 3.03Å; S352-D355 PolarHBondContact O-N 2.97Å; S352-R356 PolarHBondContact O-N 3.36Å |
| 353 | H | 53.8 | Low | 59.6 | Low | 150 Ų | 150 | 113.8 Ų | 113.8 | 69% | 0.694 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.3 | -28.9 | -179.3 | -171 | -75.5 | 0 | 0 | 0 | 112.4 | | |
| 354 | S | 56.4 | Low | 62.1 | Low | 71 Ų | 71 | 107.8 Ų | 107.8 | 50% | 0.497 | 61% | 0.611 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66.3 | -42.8 | 173.2 | 50.6 | 0 | 0 | 0 | 0 | 113.8 | S352 R356 M357 | S352-S354 PolarHBondContact O-N 2.93Å; S352-S354 PolarHBondContact OG-OG 3.03Å; S354-R356 VanDerWaalsContact C-N 3.29Å; S354-R356 PolarHBondContact O-N 3.44Å; S354-M357 PolarHBondContact O-N 2.92Å |
| 355 | D | 59 | Low | 64.4 | Low | 86 Ų | 86 | 112.6 Ų | 112.6 | 46% | 0.46 | 60% | 0.604 | S | S | . | * | G | 310 helix | trans | -66.8 | -33.9 | -178.1 | -67.8 | -33 | 0 | 0 | 0 | 111.5 | P351 S352 M357 L358 L359 | P351-D355 HydrophobicContact CB-CB 4.02Å; S352-D355 PolarHBondContact O-N 2.97Å; D355-M357 PolarHBondContact O-N 2.85Å; D355-L358 PolarHBondContact O-N 2.94Å; D355-L358 VanDerWaalsContact O-N 3.08Å; D355-L359 WeakPolarHBondContact O-CG 3.36Å; D355-L359 PolarHBondContact O-N 3.24Å |
| 356 | R | 60.5 | Low | 67.2 | Low | 140 Ų | 140 | 110.4 Ų | 110.4 | 53% | 0.528 | 59% | 0.59 | S | S | . | * | G | 310 helix | trans | -64.4 | -21.8 | 179.4 | -60.2 | -179.6 | -160.3 | -137.7 | 2.2 | 113.4 | P351 S352 S354 | P351-R356 HydrophobicContact CB-CG 4.16Å; P351-R356 PolarHBondContact O-NE 3.33Å; P351-R356 PolarHBondContact O-NH2 2.94Å; S352-R356 PolarHBondContact O-N 3.36Å; S354-R356 VanDerWaalsContact C-N 3.29Å; S354-R356 PolarHBondContact O-N 3.44Å |
| 357 | M | 59.6 | Low | 69.3 | Low | 149 Ų | 149 | 107.5 Ų | 107.5 | 73% | 0.734 | 57% | 0.565 | S | S | * | * | G | 310 helix | trans | -89.1 | -10.7 | 178.1 | -62.6 | -98.2 | 58.9 | 0 | 0 | 112.9 | S354 D355 | S354-M357 PolarHBondContact O-N 2.92Å; D355-M357 PolarHBondContact O-N 2.85Å |
| 358 | L | 67.3 | Low | 71.6 | Confident | 153 Ų | 153 | 107.4 Ų | 107.4 | 80% | 0.801 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.5 | 0.8 | 179.8 | -75.3 | 173.4 | 0 | 0 | 0 | 113.8 | D355 | D355-L358 PolarHBondContact O-N 2.94Å; D355-L358 VanDerWaalsContact O-N 3.08Å |
| 359 | L | 77.6 | Confident | 74 | Confident | 57 Ų | 57 | 100.9 Ų | 100.9 | 30% | 0.298 | 53% | 0.531 | S | S | . | . | S | Bend | trans | -78.8 | 130.9 | 174.5 | -71.3 | 167.9 | 0 | 0 | 0 | 110.5 | D355 K363 V364 | D355-L359 WeakPolarHBondContact O-CG 3.36Å; D355-L359 PolarHBondContact O-N 3.24Å; L359-K363 HydrophobicContact CD2-CD 4.44Å; L359-V364 HydrophobicContact CB-CG2 3.47Å; L359-V364 VanDerWaalsContact CB-CG2 3.47Å; L359-V364 HydrophobicContact CD1-CG2 4.09Å; L359-V364 HydrophobicContact CG-CG2 4.42Å |
| 360 | D | 82.3 | Confident | 76.5 | Confident | 85 Ų | 85 | 98.5 Ų | 98.5 | 46% | 0.455 | 51% | 0.509 | S | S | . | . | | | trans | -48.2 | 125.3 | 165.4 | 155.5 | 43.3 | 0 | 0 | 0 | 110.5 | Q362 K363 V364 | D360-Q362 PolarHBondContact O-N 2.64Å; D360-Q362 VanDerWaalsContact O-N 3.16Å; D360-Q362 PolarHBondContact OD1-N 3.13Å; D360-Q362 WeakPolarHBondContact OD2-CB 3.25Å; D360-K363 HydrophobicContact CB-CB 4.17Å; D360-K363 WeakPolarHBondContact O-CB 3.38Å; D360-K363 PolarHBondContact O-N 3.28Å; D360-K363 WeakPolarHBondContact OD2-CB 3.23Å; D360-K363 PolarHBondContact OD2-N 3.46Å; D360-V364 PolarHBondContact O-N 3.46Å |
| 361 | P | 88.6 | Confident | 78.4 | Confident | 106 Ų | 106 | 100.3 Ų | 100.3 | 69% | 0.688 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -54.4 | -32.9 | 179.9 | -28.1 | 35.6 | 0 | 0 | 0 | 114.1 | V364 R365 | P361-V364 PolarHBondContact O-N 3.01Å; P361-R365 WeakPolarHBondContact O-CB 3.38Å; P361-R365 PolarHBondContact O-N 2.97Å |
| 362 | Q | 89.6 | Confident | 80.3 | Confident | 137 Ų | 137 | 104 Ų | 104 | 64% | 0.64 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -68.4 | -39.8 | 177.4 | 179.6 | 177 | -20.4 | 0 | 0 | 111.4 | D360 R365 M366 | D360-Q362 PolarHBondContact O-N 2.64Å; D360-Q362 VanDerWaalsContact O-N 3.16Å; D360-Q362 PolarHBondContact OD1-N 3.13Å; D360-Q362 WeakPolarHBondContact OD2-CB 3.25Å; Q362-R365 WeakPolarHBondContact O-CB 3.48Å; Q362-R365 PolarHBondContact O-N 2.93Å; Q362-M366 PolarHBondContact O-N 3.1Å |
| 363 | K | 90.1 | Very high | 82.3 | Confident | 133 Ų | 133 | 103.6 Ų | 103.6 | 58% | 0.578 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64.6 | -41.3 | 172.7 | -165.7 | 174.4 | -175.7 | 178.8 | 0 | 112.8 | L359 D360 R365 M366 E367 | L359-K363 HydrophobicContact CD2-CD 4.44Å; D360-K363 HydrophobicContact CB-CB 4.17Å; D360-K363 WeakPolarHBondContact O-CB 3.38Å; D360-K363 PolarHBondContact O-N 3.28Å; D360-K363 WeakPolarHBondContact OD2-CB 3.23Å; D360-K363 PolarHBondContact OD2-N 3.46Å; K363-R365 VanDerWaalsContact C-N 3.35Å; K363-M366 PolarHBondContact O-N 3.18Å; K363-E367 PolarHBondContact O-N 2.64Å |
| 364 | V | 93.3 | Very high | 84.2 | Confident | 61 Ų | 61 | 102.7 Ų | 102.7 | 37% | 0.37 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61.9 | -43.4 | 173.5 | -179.4 | 0 | 0 | 0 | 0 | 110.8 | L359 D360 P361 E367 A368 | L359-V364 HydrophobicContact CB-CG2 3.47Å; L359-V364 VanDerWaalsContact CB-CG2 3.47Å; L359-V364 HydrophobicContact CD1-CG2 4.09Å; L359-V364 HydrophobicContact CG-CG2 4.42Å; D360-V364 PolarHBondContact O-N 3.46Å; P361-V364 PolarHBondContact O-N 3.01Å; V364-E367 PolarHBondContact O-N 3.36Å; V364-A368 WeakPolarHBondContact O-CB 3.47Å; V364-A368 PolarHBondContact O-N 3.35Å |
| 365 | R | 93.4 | Very high | 85.7 | Confident | 183 Ų | 183 | 102.4 Ų | 102.4 | 69% | 0.691 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -59.5 | -45.9 | 175.2 | 180 | -179.8 | 178 | 179.7 | 0.2 | 111.6 | P361 Q362 K363 A368 L369 | P361-R365 WeakPolarHBondContact O-CB 3.38Å; P361-R365 PolarHBondContact O-N 2.97Å; Q362-R365 WeakPolarHBondContact O-CB 3.48Å; Q362-R365 PolarHBondContact O-N 2.93Å; K363-R365 VanDerWaalsContact C-N 3.35Å; R365-A368 PolarHBondContact O-N 3.13Å; R365-L369 HydrophobicContact CG-CD1 4.09Å; R365-L369 VanDerWaalsContact O-CG 3.25Å; R365-L369 WeakPolarHBondContact O-CG 3.45Å; R365-L369 PolarHBondContact O-N 3.21Å |
| 366 | M | 93.7 | Very high | 87.1 | Confident | 91 Ų | 91 | 107 Ų | 107 | 45% | 0.448 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -64.6 | -45.2 | 176.3 | -84.7 | -167.5 | 57.8 | 0 | 0 | 112.5 | Q362 K363 A368 L369 L370 L375 | Q362-M366 PolarHBondContact O-N 3.1Å; K363-M366 PolarHBondContact O-N 3.18Å; M366-A368 VanDerWaalsContact C-N 3.31Å; M366-A368 PolarHBondContact O-N 3.09Å; M366-L369 PolarHBondContact O-N 3.09Å; M366-L370 WeakPolarHBondContact O-CB 3.48Å; M366-L370 VanDerWaalsContact O-CG 3.23Å; M366-L370 WeakPolarHBondContact O-CG 3.38Å; M366-L370 PolarHBondContact O-N 3.42Å; M366-L375 HydrophobicContact CE-CD2 3.9Å; M366-L375 HydrophobicContact CG-CD2 4.05Å |
| 367 | E | 93.5 | Very high | 88.1 | Confident | 74 Ų | 74 | 106.2 Ų | 106.2 | 35% | 0.346 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -59.8 | -41.7 | 175.9 | 175.1 | 173 | -171.6 | 0 | 0 | 111.6 | K363 V364 L370 K371 | K363-E367 PolarHBondContact O-N 2.64Å; V364-E367 PolarHBondContact O-N 3.36Å; E367-L370 PolarHBondContact O-N 3Å; E367-K371 HydrophobicContact CG-CD 4.44Å; E367-K371 HydrophobicContact CG-CG 4.45Å; E367-K371 WeakPolarHBondContact O-CB 3.37Å; E367-K371 WeakPolarHBondContact O-CG 3.35Å; E367-K371 PolarHBondContact O-N 3.29Å; E367-K371 WeakPolarHBondContact OE1-CE 3.38Å; E367-K371 IonicContact OE1-NZ 3.73Å; E367-K371 PolarHBondContact OE1-NZ 3.44Å |
| 368 | A | 95.2 | Very high | 88.3 | Confident | 44 Ų | 44 | 106.3 Ų | 106.3 | 36% | 0.364 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -62.8 | -45.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | V364 R365 M366 L370 K371 L372 | V364-A368 WeakPolarHBondContact O-CB 3.47Å; V364-A368 PolarHBondContact O-N 3.35Å; R365-A368 PolarHBondContact O-N 3.13Å; M366-A368 VanDerWaalsContact C-N 3.31Å; M366-A368 PolarHBondContact O-N 3.09Å; A368-L370 VanDerWaalsContact C-N 3.33Å; A368-L370 PolarHBondContact O-N 2.77Å; A368-K371 PolarHBondContact O-N 3.02Å; A368-L372 WeakPolarHBondContact O-CB 3.48Å; A368-L372 VanDerWaalsContact O-CG 3.24Å; A368-L372 WeakPolarHBondContact O-CG 3.45Å; A368-L372 PolarHBondContact O-N 2.68Å |
| 369 | L | 96.3 | Very high | 87.8 | Confident | 54 Ų | 54 | 105.9 Ų | 105.9 | 28% | 0.283 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.4 | -36.2 | 177.9 | -69.6 | 169 | 0 | 0 | 0 | 112.6 | R365 M366 G373 L374 L375 | R365-L369 HydrophobicContact CG-CD1 4.09Å; R365-L369 VanDerWaalsContact O-CG 3.25Å; R365-L369 WeakPolarHBondContact O-CG 3.45Å; R365-L369 PolarHBondContact O-N 3.21Å; M366-L369 PolarHBondContact O-N 3.09Å; L369-G373 PolarHBondContact O-N 3.41Å; L369-L374 HydrophobicContact CD2-CB 4.02Å; L369-L374 HydrophobicContact CD2-CD1 4.05Å; L369-L374 PolarHBondContact O-N 3.3Å; L369-L375 HydrophobicContact CB-CB 3.64Å; L369-L375 HydrophobicContact CB-CD2 4.35Å; L369-L375 PolarHBondContact O-N 3.09Å |
| 370 | L | 95.9 | Very high | 86.8 | Confident | 65 Ų | 65 | 111.9 Ų | 111.9 | 34% | 0.34 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -66 | -47.4 | 172.9 | -68.9 | 167.4 | 0 | 0 | 0 | 111.1 | M366 E367 A368 L372 G373 L375 D377 | M366-L370 WeakPolarHBondContact O-CB 3.48Å; M366-L370 VanDerWaalsContact O-CG 3.23Å; M366-L370 WeakPolarHBondContact O-CG 3.38Å; M366-L370 PolarHBondContact O-N 3.42Å; E367-L370 PolarHBondContact O-N 3Å; A368-L370 VanDerWaalsContact C-N 3.33Å; A368-L370 PolarHBondContact O-N 2.77Å; L370-L372 VanDerWaalsContact C-N 3.27Å; L370-L372 PolarHBondContact O-N 3.15Å; L370-G373 PolarHBondContact O-N 2.68Å; L370-L375 HydrophobicContact CD2-CB 4.19Å; L370-L375 HydrophobicContact CD2-CD2 4.42Å; L370-L375 HydrophobicContact CD2-CG 4.12Å; L370-L375 HydrophobicContact CG-CB 4.46Å; L370-L375 HydrophobicContact CG-CD2 4.43Å; L370-D377 HydrophobicContact CD2-CB 3.93Å |
| 371 | K | 95.1 | Very high | 85.1 | Confident | 151 Ų | 151 | 116 Ų | 116 | 66% | 0.657 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -64 | -29.3 | 177.1 | -72 | -170.9 | -156.1 | -55.2 | 0 | 113.6 | E367 A368 G373 | E367-K371 HydrophobicContact CG-CD 4.44Å; E367-K371 HydrophobicContact CG-CG 4.45Å; E367-K371 WeakPolarHBondContact O-CB 3.37Å; E367-K371 WeakPolarHBondContact O-CG 3.35Å; E367-K371 PolarHBondContact O-N 3.29Å; E367-K371 WeakPolarHBondContact OE1-CE 3.38Å; E367-K371 IonicContact OE1-NZ 3.73Å; E367-K371 PolarHBondContact OE1-NZ 3.44Å; A368-K371 PolarHBondContact O-N 3.02Å; K371-G373 VanDerWaalsContact C-N 3.3Å |
| 372 | L | 95.5 | Very high | 83 | Confident | 125 Ų | 125 | 114.6 Ų | 114.6 | 65% | 0.654 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.7 | -3 | 175.1 | -67.7 | 171.6 | 0 | 0 | 0 | 113.1 | A368 L370 L374 | A368-L372 WeakPolarHBondContact O-CB 3.48Å; A368-L372 VanDerWaalsContact O-CG 3.24Å; A368-L372 WeakPolarHBondContact O-CG 3.45Å; A368-L372 PolarHBondContact O-N 2.68Å; L370-L372 VanDerWaalsContact C-N 3.27Å; L370-L372 PolarHBondContact O-N 3.15Å; L372-L374 HydrophobicContact CB-CD1 4Å; L372-L374 HydrophobicContact CB-CG 3.96Å; L372-L374 HydrophobicContact CD1-CD1 4.2Å; L372-L374 PolarHBondContact O-N 3.46Å |
| 373 | G | 92.3 | Very high | 80.9 | Confident | 61 Ų | 61 | 112.3 Ų | 112.3 | 63% | 0.629 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 67 | 13.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | L369 L370 K371 | L369-G373 PolarHBondContact O-N 3.41Å; L370-G373 PolarHBondContact O-N 2.68Å; K371-G373 VanDerWaalsContact C-N 3.3Å |
| 374 | L | 93.1 | Very high | 78.2 | Confident | 131 Ų | 131 | 116.5 Ų | 116.5 | 69% | 0.686 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -84.7 | -30 | -179.9 | -64 | 176.7 | 0 | 0 | 0 | 111.9 | L369 L372 | L369-L374 HydrophobicContact CD2-CB 4.02Å; L369-L374 HydrophobicContact CD2-CD1 4.05Å; L369-L374 PolarHBondContact O-N 3.3Å; L372-L374 HydrophobicContact CB-CD1 4Å; L372-L374 HydrophobicContact CB-CG 3.96Å; L372-L374 HydrophobicContact CD1-CD1 4.2Å; L372-L374 PolarHBondContact O-N 3.46Å |
| 375 | L | 88.3 | Confident | 75.7 | Confident | 65 Ų | 65 | 117.8 Ų | 117.8 | 34% | 0.34 | 61% | 0.605 | S | S | . | * | S | Bend | trans | -109.7 | 138.8 | 168.2 | -171.6 | 60.7 | 0 | 0 | 0 | 108.1 | M366 L369 L370 | M366-L375 HydrophobicContact CE-CD2 3.9Å; M366-L375 HydrophobicContact CG-CD2 4.05Å; L369-L375 HydrophobicContact CB-CB 3.64Å; L369-L375 HydrophobicContact CB-CD2 4.35Å; L369-L375 PolarHBondContact O-N 3.09Å; L370-L375 HydrophobicContact CD2-CB 4.19Å; L370-L375 HydrophobicContact CD2-CD2 4.42Å; L370-L375 HydrophobicContact CD2-CG 4.12Å; L370-L375 HydrophobicContact CG-CB 4.46Å; L370-L375 HydrophobicContact CG-CD2 4.43Å |
| 376 | K | 88.1 | Confident | 73.2 | Confident | 182 Ų | 182 | 115.7 Ų | 115.7 | 79% | 0.791 | 61% | 0.612 | S | S | * | * | | | trans | -86.8 | 132.2 | 178 | -62.9 | 164.8 | -176 | 172.3 | 0 | 108.2 | N378 | K376-N378 PolarHBondContact O-N 3.46Å; K376-N378 VanDerWaalsContact O-N 3.12Å |
| 377 | D | 80.6 | Confident | 70.6 | Confident | 123 Ų | 123 | 116.1 Ų | 116.1 | 66% | 0.658 | 62% | 0.623 | S | S | * | * | | | trans | -70.4 | 103 | 164.5 | 49.3 | -30.2 | 0 | 0 | 0 | 108.9 | L370 K379 | L370-D377 HydrophobicContact CD2-CB 3.93Å; D377-K379 PolarHBondContact O-N 3.25Å |
| 378 | N | 65.1 | Low | 68 | Low | 152 Ų | 152 | 118.7 Ų | 118.7 | 81% | 0.813 | 65% | 0.647 | S | S | * | * | | | trans | -73.1 | 38.2 | 169.3 | 58.7 | -35.7 | 0 | 0 | 0 | 112.1 | K376 | K376-N378 PolarHBondContact O-N 3.46Å; K376-N378 VanDerWaalsContact O-N 3.12Å |
| 379 | K | 56.8 | Low | 65.2 | Low | 143 Ų | 143 | 126.1 Ų | 126.1 | 62% | 0.622 | 67% | 0.671 | S | S | * | * | | | trans | -101.4 | 73.5 | 171.2 | -167.5 | -167.5 | 179.2 | -163.8 | 0 | 108.6 | D377 E381 | D377-K379 PolarHBondContact O-N 3.25Å; K379-E381 PolarHBondContact O-N 3.25Å |
| 380 | E | 55.9 | Low | 62.7 | Low | 183 Ų | 183 | 131.2 Ų | 131.2 | 86% | 0.855 | 70% | 0.698 | S | S | * | * | | | trans | -56.2 | 134.2 | 172.6 | -64.5 | 171.8 | 146.7 | 0 | 0 | 110.1 | | |
| 381 | E | 47.6 | Very low | 60.4 | Low | 173 Ų | 173 | 133.9 Ų | 133.9 | 81% | 0.808 | 72% | 0.718 | S | S | * | * | | | trans | 46.2 | 71.7 | 162.9 | -153.7 | 57.3 | -117.1 | 0 | 0 | 117.8 | K379 | K379-E381 PolarHBondContact O-N 3.25Š|
| 382 | S | 43.1 | Very low | 57.7 | Low | 75 Ų | 75 | 132.7 Ų | 132.7 | 52% | 0.524 | 73% | 0.726 | S | S | . | * | | | trans | -131.4 | 57.9 | 159.3 | -163.7 | 0 | 0 | 0 | 0 | 111.6 | | |
| 383 | S | 45.7 | Very low | 55.2 | Low | 89 Ų | 89 | 136.2 Ų | 136.2 | 62% | 0.622 | 74% | 0.736 | S | S | * | * | S | Bend | trans | 42.3 | 81.6 | 139.6 | 53.4 | 0 | 0 | 0 | 0 | 119.1 | | |
| 384 | R | 34.6 | Very low | 52.6 | Low | 222 Ų | 222 | 139.1 Ų | 139.1 | 84% | 0.838 | 75% | 0.747 | S | S | * | * | | | | -159.6 | 114.8 | 113.4 | -163.6 | 165.2 | -79.3 | 111 | -6 | 111.6 | | |
| 385 | A | 40.5 | Very low | 49.8 | Very low | 88 Ų | 88 | 137.4 Ų | 137.4 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | | | trans | -73.8 | 136.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 386 | V | 41 | Very low | 47.4 | Very low | 138 Ų | 138 | 138.5 Ų | 138.5 | 84% | 0.836 | 77% | 0.77 | S | S | * | * | | | trans | -132.7 | 97.7 | 151.4 | -179.3 | 0 | 0 | 0 | 0 | 107.1 | | |
| 387 | S | 38.7 | Very low | 44.9 | Very low | 100 Ų | 100 | 140.4 Ų | 140.4 | 70% | 0.699 | 77% | 0.774 | S | S | * | * | | | trans | -79.1 | 150.3 | 178 | -47.6 | 0 | 0 | 0 | 0 | 111.9 | | |
| 388 | P | 39.8 | Very low | 43.2 | Very low | 128 Ų | 128 | 144.3 Ų | 144.3 | 83% | 0.831 | 79% | 0.785 | S | S | * | * | | | trans | -96.7 | 134.9 | 137.1 | -8.4 | 26.6 | 0 | 0 | 0 | 109.4 | | |
| 389 | K | 34.9 | Very low | 41.7 | Very low | 201 Ų | 201 | 148.2 Ų | 148.2 | 87% | 0.874 | 79% | 0.789 | S | S | * | * | | | trans | -97.8 | 109.1 | -166.5 | -173.7 | 179.6 | -173.9 | 175.9 | 0 | 110.6 | | |
| 390 | L | 43.5 | Very low | 40.7 | Very low | 161 Ų | 161 | 146.2 Ų | 146.2 | 84% | 0.843 | 79% | 0.793 | S | S | * | * | | | trans | -135.3 | 136.4 | 167.7 | -70.3 | 177.8 | 0 | 0 | 0 | 110.6 | | |
| 391 | P | 48.6 | Very low | 39.8 | Very low | 120 Ų | 120 | 146 Ų | 146 | 78% | 0.779 | 80% | 0.796 | S | S | * | * | | | trans | -94 | 133.8 | -175 | 34.6 | -32.2 | 0 | 0 | 0 | 112.9 | | |
| 392 | P | 38.7 | Very low | 39.2 | Very low | 126 Ų | 126 | 141.6 Ų | 141.6 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | | | trans | -93.9 | 118.8 | 163.3 | 32.9 | -27.4 | 0 | 0 | 0 | 110.5 | | |
| 393 | K | 42.3 | Very low | 38.6 | Very low | 199 Ų | 199 | 143.3 Ų | 143.3 | 87% | 0.865 | 80% | 0.802 | S | S | * | * | | | trans | -140.9 | 144.6 | 164.8 | -101.8 | -176.2 | 179.1 | 176.4 | 0 | 111 | | |
| 394 | S | 37.1 | Very low | 38.6 | Very low | 122 Ų | 122 | 145.3 Ų | 145.3 | 85% | 0.853 | 81% | 0.812 | S | S | * | * | | | trans | 70.5 | 140.6 | -174.4 | 81.8 | 0 | 0 | 0 | 0 | 114.9 | | |
| 395 | A | 34.2 | Very low | 38.8 | Very low | 95 Ų | 95 | 139.9 Ų | 139.9 | 79% | 0.785 | 81% | 0.809 | S | S | * | * | | | cis | -154.8 | 169.6 | -22 | 0 | 0 | 0 | 0 | 0 | 109.8 | Y397 | A395-Y397 PolarHBondContact O-N 3.49Š|
| 396 | A | 39.8 | Very low | 39.1 | Very low | 89 Ų | 89 | 141.4 Ų | 141.4 | 74% | 0.736 | 81% | 0.811 | S | S | * | * | | | trans | -51.7 | 130.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 397 | Y | 33.8 | Very low | 39.4 | Very low | 221 Ų | 221 | 140.7 Ų | 140.7 | 87% | 0.867 | 81% | 0.81 | S | S | * | * | | | trans | -139.7 | 111.5 | 140 | -98.3 | -78.1 | 0 | 0 | 0 | 109.7 | A395 | A395-Y397 PolarHBondContact O-N 3.49Š|
| 398 | K | 45.1 | Very low | 39.1 | Very low | 206 Ų | 206 | 142.9 Ų | 142.9 | 90% | 0.896 | 82% | 0.818 | S | S | * | * | | | trans | -74.7 | 123.9 | 162.6 | -68.5 | -169.2 | 179.3 | -171.2 | 0 | 107.8 | | |
| 399 | R | 35 | Very low | 39.2 | Very low | 233 Ų | 233 | 142 Ų | 142 | 88% | 0.879 | 82% | 0.815 | S | S | * | * | | | trans | -141.3 | 110.8 | 154.6 | -147.6 | 170.2 | -154.8 | 115.6 | 5.2 | 110.7 | | |
| 400 | S | 34.8 | Very low | 39.8 | Very low | 101 Ų | 101 | 138.2 Ų | 138.2 | 71% | 0.706 | 81% | 0.811 | S | S | * | * | | | trans | -71 | 144.7 | 167.7 | -179.8 | 0 | 0 | 0 | 0 | 109.5 | | |
| 401 | L | 37.4 | Very low | 39.3 | Very low | 178 Ų | 178 | 134.9 Ų | 134.9 | 93% | 0.932 | 81% | 0.807 | S | S | * | * | | | trans | -140.9 | 76.9 | 157.8 | -161.7 | 72.6 | 0 | 0 | 0 | 108.8 | | |
| 402 | A | 33.9 | Very low | 39.2 | Very low | 81 Ų | 81 | 134 Ų | 134 | 67% | 0.669 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -92.8 | 141.5 | 164 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 403 | S | 31.3 | Very low | 39.1 | Very low | 112 Ų | 112 | 135.8 Ų | 135.8 | 78% | 0.783 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 148.5 | -179.1 | -56.2 | 0 | 0 | 0 | 0 | 112.8 | | |
| 404 | P | 45.9 | Very low | 39.1 | Very low | 130 Ų | 130 | 132.3 Ų | 132.3 | 84% | 0.844 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 123.2 | 176.3 | 31.5 | -32.5 | 0 | 0 | 0 | 111.6 | | |
| 405 | S | 37.6 | Very low | 39.3 | Very low | 108 Ų | 108 | 132.6 Ų | 132.6 | 76% | 0.755 | 79% | 0.793 | S | S | * | * | | | trans | -106.2 | 148.2 | 161 | -58.9 | 0 | 0 | 0 | 0 | 109 | | |
| 406 | P | 47.9 | Very low | 39.8 | Very low | 121 Ų | 121 | 133.6 Ų | 133.6 | 79% | 0.786 | 79% | 0.791 | S | S | * | * | | | trans | -72.4 | 147 | -173.7 | 29.3 | -35.3 | 0 | 0 | 0 | 112.7 | | |
| 407 | P | 47.3 | Very low | 39.5 | Very low | 123 Ų | 123 | 135.8 Ų | 135.8 | 80% | 0.799 | 80% | 0.795 | S | S | * | * | | | trans | -82 | 134.9 | 178.8 | 32.3 | -33.7 | 0 | 0 | 0 | 112.5 | | |
| 408 | V | 32.3 | Very low | 39.6 | Very low | 145 Ų | 145 | 131 Ų | 131 | 88% | 0.879 | 79% | 0.789 | S | S | * | * | | | trans | -108.4 | 128.3 | 163.1 | 173.2 | 0 | 0 | 0 | 0 | 108.1 | | |
| 409 | S | 41.2 | Very low | 40 | Very low | 111 Ų | 111 | 127 Ų | 127 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | | | trans | -125.8 | 148.9 | 171.7 | -74.1 | 0 | 0 | 0 | 0 | 110.5 | | |
| 410 | P | 47.9 | Very low | 39.9 | Very low | 121 Ų | 121 | 120.7 Ų | 120.7 | 79% | 0.786 | 78% | 0.776 | S | S | * | * | | | trans | -102.8 | 140.7 | -165.1 | 36.7 | -33.3 | 0 | 0 | 0 | 116 | | |
| 411 | A | 33.5 | Very low | 39.8 | Very low | 91 Ų | 91 | 123.5 Ų | 123.5 | 75% | 0.752 | 78% | 0.782 | S | S | * | * | | | trans | 62.1 | 167.7 | 145.4 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 412 | P | 46.6 | Very low | 39.8 | Very low | 102 Ų | 102 | 120.6 Ų | 120.6 | 66% | 0.662 | 77% | 0.772 | S | S | * | * | | | cis | -120.1 | -150.2 | -40.1 | 35.9 | -20.4 | 0 | 0 | 0 | 111.1 | | |
| 413 | H | 35.7 | Very low | 40.5 | Very low | 163 Ų | 163 | 122.4 Ų | 122.4 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | | | trans | 114.4 | 97.1 | 163.1 | -55.8 | -63.1 | 0 | 0 | 0 | 118.5 | | |
| 414 | T | 43.6 | Very low | 40.6 | Very low | 125 Ų | 125 | 122.8 Ų | 122.8 | 77% | 0.767 | 77% | 0.774 | S | S | * | * | | | trans | 31 | 120.3 | 138.7 | 55.9 | 0 | 0 | 0 | 0 | 121.8 | | |
| 415 | P | 40.4 | Very low | 40 | Very low | 129 Ų | 129 | 124.1 Ų | 124.1 | 84% | 0.838 | 77% | 0.772 | S | S | * | * | | | trans | -96.7 | 149.6 | 164.1 | 36.8 | -31.9 | 0 | 0 | 0 | 113.7 | | |
| 416 | P | 45.8 | Very low | 39.6 | Very low | 116 Ų | 116 | 124 Ų | 124 | 75% | 0.753 | 77% | 0.772 | S | S | * | * | | | trans | -109.5 | 130.1 | 167.3 | 35.2 | -26.9 | 0 | 0 | 0 | 114.9 | | |
| 417 | V | 33.2 | Very low | 40.1 | Very low | 134 Ų | 134 | 123.7 Ų | 123.7 | 81% | 0.812 | 77% | 0.77 | S | S | * | * | | | trans | 65.3 | 102.3 | 134.7 | -171.8 | 0 | 0 | 0 | 0 | 121.1 | | |
| 418 | T | 36.1 | Very low | 39.2 | Very low | 120 Ų | 120 | 124.6 Ų | 124.6 | 74% | 0.736 | 77% | 0.767 | S | S | * | * | | | trans | -23.4 | 154.6 | 143.1 | 51.8 | 0 | 0 | 0 | 0 | 119 | | |
| 419 | P | 52.4 | Low | 39.3 | Very low | 122 Ų | 122 | 126 Ų | 126 | 79% | 0.792 | 76% | 0.764 | S | S | * | * | | | | -137.4 | 134.6 | 78.6 | 19.2 | 3.9 | 0 | 0 | 0 | 115.2 | | |
| 420 | S | 32.5 | Very low | 38.8 | Very low | 102 Ų | 102 | 125.1 Ų | 125.1 | 71% | 0.713 | 76% | 0.763 | S | S | * | * | | | | 85.4 | 141.1 | 90.7 | -145.4 | 0 | 0 | 0 | 0 | 112.8 | | |
| 421 | L | 34.3 | Very low | 38.7 | Very low | 160 Ų | 160 | 124.8 Ų | 124.8 | 84% | 0.838 | 76% | 0.761 | S | S | * | * | | | cis | -143.5 | 154.4 | 31.1 | -76.1 | 153.4 | 0 | 0 | 0 | 113.1 | | |
| 422 | T | 35.9 | Very low | 38.6 | Very low | 116 Ų | 116 | 126.3 Ų | 126.3 | 71% | 0.712 | 76% | 0.761 | S | S | * | * | | | trans | -90.4 | 167.1 | 165.6 | 52.6 | 0 | 0 | 0 | 0 | 111.5 | | |
| 423 | P | 48.9 | Very low | 37.7 | Very low | 120 Ų | 120 | 127.9 Ų | 127.9 | 78% | 0.779 | 76% | 0.763 | S | S | * | * | | | | -127.6 | 142.3 | 86.7 | 5.5 | 17.7 | 0 | 0 | 0 | 112.9 | | |
| 424 | V | 33.8 | Very low | 37.7 | Very low | 119 Ų | 119 | 127.5 Ų | 127.5 | 72% | 0.721 | 76% | 0.762 | S | S | * | * | | | | 68.1 | 111.9 | 67 | 179.5 | 0 | 0 | 0 | 0 | 109.1 | | |
| 425 | I | 33.6 | Very low | 37.3 | Very low | 158 Ų | 158 | 129.4 Ų | 129.4 | 81% | 0.81 | 76% | 0.762 | S | S | * | * | | | | -154.6 | 149 | 57.3 | -69.3 | 176.6 | 0 | 0 | 0 | 112 | | |
| 426 | S | 29.7 | Very low | 37.1 | Very low | 106 Ų | 106 | 128.4 Ų | 128.4 | 74% | 0.741 | 76% | 0.758 | S | S | * | * | | | trans | -110 | -163.8 | 167.1 | -36.9 | 0 | 0 | 0 | 0 | 110.6 | | |
| 427 | P | 56.8 | Low | 36.5 | Very low | 114 Ų | 114 | 127 Ų | 127 | 74% | 0.74 | 76% | 0.756 | S | S | * | * | | | | -122.3 | -173.7 | -53.6 | 36.3 | -20.3 | 0 | 0 | 0 | 111.2 | | |
| 428 | L | 29.3 | Very low | 36.3 | Very low | 143 Ų | 143 | 128.4 Ų | 128.4 | 75% | 0.749 | 76% | 0.758 | S | S | * | * | | | trans | -172.1 | 112.3 | 136.9 | -122 | 65.5 | 0 | 0 | 0 | 109.2 | | |
| 429 | Q | 34.5 | Very low | 36.3 | Very low | 174 Ų | 174 | 128.5 Ų | 128.5 | 81% | 0.813 | 76% | 0.759 | S | S | * | * | | | | 73.1 | 128.6 | 100 | -67.2 | -177.1 | -7.9 | 0 | 0 | 116.6 | | |
| 430 | A | 30.4 | Very low | 35.8 | Very low | 92 Ų | 92 | 128 Ų | 128 | 76% | 0.76 | 76% | 0.756 | S | S | * | * | | | trans | -71.7 | 176.2 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 431 | P | 45.3 | Very low | 35.5 | Very low | 114 Ų | 114 | 129 Ų | 129 | 74% | 0.74 | 76% | 0.758 | S | S | * | * | | | | -158.8 | 165.6 | 68.2 | 45.1 | -24.1 | 0 | 0 | 0 | 119.3 | | |
| 432 | V | 31.4 | Very low | 35.5 | Very low | 123 Ų | 123 | 127.8 Ų | 127.8 | 75% | 0.745 | 76% | 0.756 | S | S | * | * | | | | 73.3 | 129.4 | 129.7 | 158.9 | 0 | 0 | 0 | 0 | 123.3 | | |
| 433 | L | 29.1 | Very low | 35.3 | Very low | 136 Ų | 136 | 127.1 Ų | 127.1 | 71% | 0.712 | 76% | 0.757 | S | S | * | * | | | trans | 57.4 | 120.5 | 154.8 | -62.6 | 169 | 0 | 0 | 0 | 119.2 | | |
| 434 | Q | 35.6 | Very low | 35.5 | Very low | 154 Ų | 154 | 126.7 Ų | 126.7 | 72% | 0.72 | 75% | 0.754 | S | S | * | * | | | | 77.7 | 113.2 | 67 | -82.5 | -165.5 | -21.9 | 0 | 0 | 116.6 | | |
| 435 | Q | 34.8 | Very low | 35.3 | Very low | 166 Ų | 166 | 126.6 Ų | 126.6 | 78% | 0.776 | 76% | 0.758 | S | S | * | * | | | trans | 84.9 | 142.9 | 137.5 | -72.7 | -172.4 | -6.8 | 0 | 0 | 122.9 | | |
| 436 | S | 35.5 | Very low | 35.2 | Very low | 108 Ų | 108 | 123.1 Ų | 123.1 | 76% | 0.755 | 75% | 0.754 | S | S | * | * | | | trans | 90.9 | 98.5 | 151.5 | -61.4 | 0 | 0 | 0 | 0 | 119.8 | | |
| 437 | A | 32.5 | Very low | 35.2 | Very low | 87 Ų | 87 | 123.6 Ų | 123.6 | 72% | 0.719 | 76% | 0.757 | S | S | * | * | | | | 33 | 135.5 | 124.2 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 438 | L | 30.5 | Very low | 34 | Very low | 162 Ų | 162 | 123.2 Ų | 123.2 | 85% | 0.848 | 76% | 0.757 | S | S | * | * | | | | -162.6 | 160.8 | 69.8 | -85.8 | 163.6 | 0 | 0 | 0 | 112.9 | | |
| 439 | T | 35 | Very low | 34.1 | Very low | 123 Ų | 123 | 120.2 Ų | 120.2 | 76% | 0.755 | 75% | 0.753 | S | S | * | * | | | trans | -57 | 159.7 | 166.3 | 61.5 | 0 | 0 | 0 | 0 | 111.6 | | |
| 440 | P | 42.1 | Very low | 33.9 | Very low | 111 Ų | 111 | 117.6 Ų | 117.6 | 72% | 0.721 | 75% | 0.753 | S | S | * | * | | | | -157.3 | 165 | 85.6 | 44 | -25.2 | 0 | 0 | 0 | 118.1 | | |
| 441 | T | 27.6 | Very low | 35 | Very low | 124 Ų | 124 | 118.7 Ų | 118.7 | 76% | 0.761 | 75% | 0.753 | S | S | * | * | | | trans | 75.7 | 106.9 | 130.1 | -75.4 | 0 | 0 | 0 | 0 | 122 | | |
| 442 | V | 34.2 | Very low | 34.9 | Very low | 133 Ų | 133 | 118 Ų | 118 | 81% | 0.806 | 75% | 0.749 | S | S | * | * | | | | 90.6 | 112.1 | 123.4 | 170.4 | 0 | 0 | 0 | 0 | 120.5 | | |
| 443 | S | 31.6 | Very low | 34.9 | Very low | 103 Ų | 103 | 119 Ų | 119 | 72% | 0.72 | 75% | 0.748 | S | S | * | * | | | trans | -62.6 | -178.7 | 155.7 | -31.7 | 0 | 0 | 0 | 0 | 111.5 | | |
| 444 | P | 51.7 | Low | 35.2 | Very low | 110 Ų | 110 | 119.9 Ų | 119.9 | 71% | 0.714 | 75% | 0.749 | S | S | * | * | | | cis | -148.9 | -176.7 | 27.6 | 43.4 | -22.3 | 0 | 0 | 0 | 117.4 | | |
| 445 | S | 29.6 | Very low | 35 | Very low | 117 Ų | 117 | 118.8 Ų | 118.8 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | | | trans | 66 | 151 | 150.9 | -71.3 | 0 | 0 | 0 | 0 | 118.9 | | |
| 446 | A | 32.1 | Very low | 35 | Very low | 86 Ų | 86 | 114.6 Ų | 114.6 | 71% | 0.711 | 74% | 0.742 | S | S | * | * | | | cis | -165.7 | 168.3 | -16.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 447 | S | 30.6 | Very low | 35 | Very low | 116 Ų | 116 | 116.6 Ų | 116.6 | 81% | 0.811 | 74% | 0.744 | S | S | * | * | | | trans | 75.3 | 118.4 | 147.1 | -128.8 | 0 | 0 | 0 | 0 | 121.3 | | |
| 448 | S | 30.4 | Very low | 35.4 | Very low | 105 Ų | 105 | 120.6 Ų | 120.6 | 73% | 0.734 | 75% | 0.751 | S | S | * | * | | | | 82.1 | 109.9 | 119.1 | -172.7 | 0 | 0 | 0 | 0 | 121.6 | | |
| 449 | A | 31.3 | Very low | 36 | Very low | 81 Ų | 81 | 120.5 Ų | 120.5 | 67% | 0.669 | 75% | 0.751 | S | S | * | * | | | trans | 79.4 | 105.3 | 133.4 | 0 | 0 | 0 | 0 | 0 | 121.5 | | |
| 450 | S | 29.9 | Very low | 36.5 | Very low | 118 Ų | 118 | 120.3 Ų | 120.3 | 83% | 0.825 | 75% | 0.751 | S | S | * | * | | | | 90.2 | 154.4 | 122.5 | -64.8 | 0 | 0 | 0 | 0 | 120.5 | | |
| 451 | P | 53.4 | Low | 36.6 | Very low | 115 Ų | 115 | 119.5 Ų | 119.5 | 75% | 0.747 | 75% | 0.754 | S | S | * | * | | | trans | -107.3 | -155.2 | -153.9 | 45.6 | -35.5 | 0 | 0 | 0 | 111.4 | | |
| 452 | P | 43.2 | Very low | 37.2 | Very low | 101 Ų | 101 | 119.9 Ų | 119.9 | 66% | 0.656 | 76% | 0.759 | S | S | * | * | | | cis | -143.6 | -164.7 | 2.8 | 39 | -15.3 | 0 | 0 | 0 | 117 | | |
| 453 | I | 32.6 | Very low | 37.5 | Very low | 144 Ų | 144 | 118.6 Ų | 118.6 | 74% | 0.738 | 76% | 0.762 | S | S | * | * | | | trans | 73.6 | 137.7 | 160.7 | -73.6 | 171.3 | 0 | 0 | 0 | 115.3 | | |
| 454 | Q | 34.3 | Very low | 37.7 | Very low | 153 Ų | 153 | 117.3 Ų | 117.3 | 72% | 0.715 | 76% | 0.758 | S | S | * | * | | | cis | -170.4 | 167.7 | -12.1 | -115.6 | 176.2 | -83.4 | 0 | 0 | 106.6 | | |
| 455 | D | 32.9 | Very low | 36.9 | Very low | 132 Ų | 132 | 121.8 Ų | 121.8 | 71% | 0.706 | 77% | 0.766 | S | S | * | * | | | cis | -160.4 | -173.7 | -4.1 | -146.2 | -32.2 | 0 | 0 | 0 | 109.6 | | |
| 456 | A | 33.7 | Very low | 37.2 | Very low | 78 Ų | 78 | 122.3 Ų | 122.3 | 65% | 0.645 | 77% | 0.77 | S | S | * | * | | | trans | 68.7 | 139.5 | 167.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 457 | D | 34.9 | Very low | 37.4 | Very low | 150 Ų | 150 | 126.4 Ų | 126.4 | 80% | 0.802 | 78% | 0.78 | S | S | * | * | | | cis | -149 | 120.1 | 2.1 | -100.8 | -35.5 | 0 | 0 | 0 | 110 | | |
| 458 | I | 42.2 | Very low | 37.8 | Very low | 171 Ų | 171 | 123.9 Ų | 123.9 | 88% | 0.877 | 77% | 0.773 | S | S | * | * | | | trans | -145.1 | 131 | 158 | -57.4 | -176.3 | 0 | 0 | 0 | 109.1 | | |
| 459 | L | 43.3 | Very low | 38.1 | Very low | 160 Ų | 160 | 129.8 Ų | 129.8 | 84% | 0.838 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 149.3 | -176.8 | -65.9 | 172.6 | 0 | 0 | 0 | 113.3 | | |
| 460 | P | 45.3 | Very low | 38.2 | Very low | 118 Ų | 118 | 129.3 Ų | 129.3 | 77% | 0.766 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -91.2 | 152 | -171.2 | 35.5 | -35.8 | 0 | 0 | 0 | 114.6 | | |
| 461 | A | 42.9 | Very low | 39.4 | Very low | 94 Ų | 94 | 129.5 Ų | 129.5 | 78% | 0.777 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 142.2 | 165.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | A463 | A461-A463 PolarHBondContact O-N 2.92Š|
| 462 | P | 41.2 | Very low | 38.6 | Very low | 133 Ų | 133 | 130.2 Ų | 130.2 | 86% | 0.864 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 116.8 | -174.1 | 30.8 | -33.8 | 0 | 0 | 0 | 112.5 | | |
| 463 | A | 40.7 | Very low | 38 | Very low | 105 Ų | 105 | 128.4 Ų | 128.4 | 87% | 0.868 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -94.2 | 125.1 | 158 | 0 | 0 | 0 | 0 | 0 | 108.8 | A461 | A461-A463 PolarHBondContact O-N 2.92Š|
| 464 | A | 35.7 | Very low | 38.2 | Very low | 77 Ų | 77 | 129.5 Ų | 129.5 | 64% | 0.636 | 80% | 0.801 | S | S | * | * | | | trans | -109.8 | 122.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 465 | F | 35.3 | Very low | 38.1 | Very low | 203 Ų | 203 | 131.4 Ų | 131.4 | 89% | 0.89 | 81% | 0.81 | S | S | * | * | | | trans | 72.4 | 75.3 | 168.7 | -44 | -65.9 | 0 | 0 | 0 | 117.5 | | |
| 466 | S | 35.7 | Very low | 38.3 | Very low | 129 Ų | 129 | 132.8 Ų | 132.8 | 90% | 0.902 | 82% | 0.817 | S | S | * | * | | | trans | -110.5 | 129.4 | 132.7 | -68.5 | 0 | 0 | 0 | 0 | 107.4 | | |
| 467 | D | 36.1 | Very low | 38.9 | Very low | 172 Ų | 172 | 134.5 Ų | 134.5 | 92% | 0.92 | 82% | 0.822 | S | S | * | * | | | trans | -130.6 | 149.5 | 162.7 | -155.7 | -2.8 | 0 | 0 | 0 | 109.7 | | |
| 468 | G | 38.7 | Very low | 38.6 | Very low | 63 Ų | 63 | 131.3 Ų | 131.3 | 65% | 0.649 | 82% | 0.816 | S | S | * | * | | | trans | -96.6 | 167.7 | -161.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 469 | F | 36.5 | Very low | 38.1 | Very low | 229 Ų | 229 | 129.4 Ų | 129.4 | 100% | 1.004 | 81% | 0.812 | S | S | * | * | | | trans | -46.9 | 135.5 | 171.3 | -105.4 | -112.9 | 0 | 0 | 0 | 114.6 | | |
| 470 | G | 34.8 | Very low | 37.8 | Very low | 70 Ų | 70 | 128.3 Ų | 128.3 | 72% | 0.722 | 81% | 0.812 | S | S | * | * | | | trans | -167.1 | 134.3 | 165.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 471 | P | 54.8 | Low | 37.1 | Very low | 123 Ų | 123 | 131.7 Ų | 131.7 | 80% | 0.799 | 82% | 0.818 | S | S | * | * | | | trans | -108 | -180 | -157.1 | 41.6 | -37.6 | 0 | 0 | 0 | 116.2 | | |
| 472 | S | 35.4 | Very low | 36.5 | Very low | 130 Ų | 130 | 131.7 Ų | 131.7 | 91% | 0.909 | 82% | 0.818 | S | S | * | * | | | trans | 73.6 | 144.2 | 176.8 | 76.3 | 0 | 0 | 0 | 0 | 115.7 | | |
| 473 | G | 31.4 | Very low | 36 | Very low | 63 Ų | 63 | 132.2 Ų | 132.2 | 65% | 0.649 | 82% | 0.819 | S | S | * | * | | | cis | 175.5 | 149 | -5 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 474 | D | 36.4 | Very low | 35.6 | Very low | 166 Ų | 166 | 136.2 Ų | 136.2 | 89% | 0.888 | 82% | 0.817 | S | S | * | * | | | trans | 61.6 | 146.8 | 164.6 | -59.3 | -35.9 | 0 | 0 | 0 | 122.2 | | |
| 475 | E | 32.6 | Very low | 35.3 | Very low | 193 Ų | 193 | 137.4 Ų | 137.4 | 90% | 0.902 | 82% | 0.82 | S | S | * | * | | | trans | 86.4 | 143.6 | 159.3 | -123.7 | 169 | 126.8 | 0 | 0 | 121.8 | | |
| 476 | L | 36.9 | Very low | 35.1 | Very low | 161 Ų | 161 | 133.8 Ų | 133.8 | 84% | 0.843 | 82% | 0.815 | S | S | * | * | | | trans | -95.7 | -172 | -170.6 | -58.4 | 164.1 | 0 | 0 | 0 | 109.4 | | |
| 477 | P | 47.1 | Very low | 35.2 | Very low | 115 Ų | 115 | 134.7 Ų | 134.7 | 75% | 0.747 | 81% | 0.809 | S | S | * | * | | | cis | -138.9 | 178.3 | -1.8 | 41.7 | -23.2 | 0 | 0 | 0 | 116.7 | | |
| 478 | A | 28.4 | Very low | 35.2 | Very low | 82 Ų | 82 | 132 Ų | 132 | 68% | 0.678 | 80% | 0.801 | S | S | * | * | | | trans | 76.3 | 118.6 | 139.2 | 0 | 0 | 0 | 0 | 0 | 123.2 | | |
| 479 | V | 31 | Very low | 35.1 | Very low | 132 Ų | 132 | 136 Ų | 136 | 80% | 0.8 | 81% | 0.807 | S | S | * | * | | | | 64.7 | 110 | 126.5 | -178.4 | 0 | 0 | 0 | 0 | 117.2 | | |
| 480 | T | 37 | Very low | 34.9 | Very low | 137 Ų | 137 | 130.9 Ų | 130.9 | 84% | 0.84 | 80% | 0.795 | S | S | * | * | | | | -153.9 | 175.1 | 81 | 33.2 | 0 | 0 | 0 | 0 | 114.9 | | |
| 481 | E | 29.8 | Very low | 35.2 | Very low | 189 Ų | 189 | 132.4 Ų | 132.4 | 88% | 0.883 | 80% | 0.795 | S | S | * | * | | | trans | -77.4 | 164 | -167.3 | -61.1 | 176.3 | 102.9 | 0 | 0 | 117.8 | | |
| 482 | A | 31.3 | Very low | 34.7 | Very low | 94 Ų | 94 | 131.8 Ų | 131.8 | 78% | 0.777 | 79% | 0.791 | S | S | * | * | | | trans | 71.9 | 93.6 | 143.5 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 483 | T | 30 | Very low | 35.1 | Very low | 144 Ų | 144 | 131.5 Ų | 131.5 | 88% | 0.883 | 79% | 0.786 | S | S | * | * | | | trans | -121.2 | 139.4 | 150.7 | -59.2 | 0 | 0 | 0 | 0 | 110.1 | | |
| 484 | F | 32.2 | Very low | 35.7 | Very low | 189 Ų | 189 | 137.9 Ų | 137.9 | 83% | 0.829 | 80% | 0.796 | S | S | * | * | | | trans | -68.7 | 152 | 177.8 | -87.7 | -113.6 | 0 | 0 | 0 | 113.4 | | |
| 485 | S | 29.6 | Very low | 36.3 | Very low | 102 Ų | 102 | 136.6 Ų | 136.6 | 71% | 0.713 | 79% | 0.793 | S | S | * | * | | | trans | 42 | 123.7 | 150.6 | -58.1 | 0 | 0 | 0 | 0 | 119.1 | | |
| 486 | T | 31.8 | Very low | 37 | Very low | 127 Ų | 127 | 134.1 Ų | 134.1 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | | | | -167.1 | 149.3 | 81.3 | -71.7 | 0 | 0 | 0 | 0 | 113.1 | | |
| 487 | L | 37.4 | Very low | 37.3 | Very low | 147 Ų | 147 | 133.9 Ų | 133.9 | 77% | 0.77 | 79% | 0.785 | S | S | * | * | | | trans | 71.6 | 134.4 | 175.4 | -117.4 | 74 | 0 | 0 | 0 | 117.1 | | |
| 488 | P | 35.2 | Very low | 37.1 | Very low | 116 Ų | 116 | 135.1 Ų | 135.1 | 75% | 0.753 | 78% | 0.782 | S | S | * | * | | | | -132.9 | 159.1 | 94.2 | 38.9 | -31 | 0 | 0 | 0 | 115.7 | | |
| 489 | N | 37.9 | Very low | 38.2 | Very low | 147 Ų | 147 | 141.2 Ų | 141.2 | 79% | 0.786 | 79% | 0.793 | S | S | * | * | | | trans | -74.9 | 125.8 | 173.1 | 173.2 | 10.8 | 0 | 0 | 0 | 111.6 | | |
| 490 | T | 32.9 | Very low | 38.7 | Very low | 121 Ų | 121 | 143.3 Ų | 143.3 | 74% | 0.742 | 79% | 0.792 | S | S | * | * | | | trans | -148.1 | 120.7 | 166.9 | 60.2 | 0 | 0 | 0 | 0 | 114.4 | | |
| 491 | S | 40.1 | Very low | 38.7 | Very low | 103 Ų | 103 | 141.4 Ų | 141.4 | 72% | 0.72 | 79% | 0.79 | S | S | * | * | | | trans | 43.1 | 130.7 | 138.7 | -166.9 | 0 | 0 | 0 | 0 | 121.2 | | |
| 492 | P | 43.4 | Very low | 39.1 | Very low | 110 Ų | 110 | 138.1 Ų | 138.1 | 71% | 0.714 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 154.1 | 162.8 | 30.4 | -34.5 | 0 | 0 | 0 | 111.7 | | |
| 493 | P | 44.2 | Very low | 39.7 | Very low | 124 Ų | 124 | 141 Ų | 141 | 81% | 0.805 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 150.2 | -177.5 | 30.5 | -34.8 | 0 | 0 | 0 | 113.1 | V495 | P493-V495 PolarHBondContact O-N 2.9Š|
| 494 | K | 44.8 | Very low | 40.9 | Very low | 196 Ų | 196 | 141.4 Ų | 141.4 | 85% | 0.852 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 131.5 | -179.5 | -75.1 | 167.4 | 175.9 | 166.1 | 0 | 112.2 | I496 | K494-I496 PolarHBondContact O-N 3.16Š|
| 495 | V | 48.5 | Very low | 41.7 | Very low | 139 Ų | 139 | 143.1 Ų | 143.1 | 84% | 0.842 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 119.8 | 167.2 | -158.1 | 0 | 0 | 0 | 0 | 108.9 | P493 | P493-V495 PolarHBondContact O-N 2.9Š|
| 496 | I | 48.5 | Very low | 42.4 | Very low | 142 Ų | 142 | 143.3 Ų | 143.3 | 73% | 0.728 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -84.6 | 127.3 | 173.1 | -59.9 | 174.1 | 0 | 0 | 0 | 107.3 | K494 M498 | K494-I496 PolarHBondContact O-N 3.16Å; I496-M498 VanDerWaalsContact C-N 3.33Å; I496-M498 PolarHBondContact O-N 3.36Å |
| 497 | N | 43.3 | Very low | 42.9 | Very low | 156 Ų | 156 | 140.8 Ų | 140.8 | 83% | 0.834 | 78% | 0.778 | S | S | * | * | | | trans | -61.1 | 86.8 | 178.7 | -80.4 | -15.5 | 0 | 0 | 0 | 112.1 | | |
| 498 | M | 41.5 | Very low | 43.4 | Very low | 140 Ų | 140 | 142 Ų | 142 | 69% | 0.69 | 78% | 0.784 | S | S | * | * | | | trans | -82.7 | 118 | 165.5 | -66.4 | -147 | 74 | 0 | 0 | 109.3 | I496 F500 | I496-M498 VanDerWaalsContact C-N 3.33Å; I496-M498 PolarHBondContact O-N 3.36Å; M498-F500 VanDerWaalsContact C-N 3.34Å; M498-F500 HydrophobicContact CB-CD2 4.28Å; M498-F500 HydrophobicContact CB-CE2 3.8Å; M498-F500 HydrophobicContact CB-CZ 4.23Å; M498-F500 WeakPolarHBondContact O-CD2 3.49Å; M498-F500 PolarHBondContact O-N 3.13Å |
| 499 | K | 52 | Low | 44.2 | Very low | 210 Ų | 210 | 139.6 Ų | 139.6 | 91% | 0.913 | 78% | 0.781 | S | S | * | * | | | trans | -75.3 | 86.9 | 174.5 | -62.5 | 177 | 179.7 | -178.8 | 0 | 108.9 | A501 | K499-A501 PolarHBondContact O-N 3.39Š|
| 500 | F | 41.3 | Very low | 44.6 | Very low | 177 Ų | 177 | 141.1 Ų | 141.1 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | | | trans | -66.9 | 122.4 | 168.4 | -68.4 | -82.2 | 0 | 0 | 0 | 109 | M498 T502 | M498-F500 VanDerWaalsContact C-N 3.34Å; M498-F500 HydrophobicContact CB-CD2 4.28Å; M498-F500 HydrophobicContact CB-CE2 3.8Å; M498-F500 HydrophobicContact CB-CZ 4.23Å; M498-F500 WeakPolarHBondContact O-CD2 3.49Å; M498-F500 PolarHBondContact O-N 3.13Å; F500-T502 PolarHBondContact O-N 3.19Å |
| 501 | A | 36.2 | Very low | 44.9 | Very low | 96 Ų | 96 | 141 Ų | 141 | 79% | 0.793 | 79% | 0.792 | S | S | * | * | | | trans | -79 | 110.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | K499 L503 | K499-A501 PolarHBondContact O-N 3.39Å; A501-L503 PolarHBondContact O-N 3.23Å |
| 502 | T | 40.1 | Very low | 44.8 | Very low | 120 Ų | 120 | 141.5 Ų | 141.5 | 74% | 0.736 | 80% | 0.796 | S | S | * | * | | | trans | -63.7 | 94.4 | 169.7 | 34 | 0 | 0 | 0 | 0 | 109.6 | F500 E504 | F500-T502 PolarHBondContact O-N 3.19Å; T502-E504 PolarHBondContact O-N 3.3Å |
| 503 | L | 42.6 | Very low | 44.6 | Very low | 156 Ų | 156 | 144.8 Ų | 144.8 | 82% | 0.817 | 80% | 0.802 | S | S | * | * | | | trans | -77.2 | 79.1 | 164.4 | -176.9 | 58.4 | 0 | 0 | 0 | 108.4 | A501 R505 | A501-L503 PolarHBondContact O-N 3.23Å; L503-R505 PolarHBondContact O-N 3.08Å |
| 504 | E | 56.3 | Low | 44.4 | Very low | 151 Ų | 151 | 146.8 Ų | 146.8 | 71% | 0.706 | 80% | 0.802 | S | S | * | * | | | trans | -50.4 | 95.3 | 168.6 | -76.4 | -70 | 121 | 0 | 0 | 110.7 | T502 | T502-E504 PolarHBondContact O-N 3.3Š|
| 505 | R | 49 | Very low | 43.9 | Very low | 226 Ų | 226 | 141.7 Ų | 141.7 | 85% | 0.853 | 79% | 0.791 | S | S | * | * | | | trans | -134.1 | 58.5 | 158.5 | -83.9 | -162.9 | 165.3 | -172.7 | -4.4 | 110.5 | L503 | L503-R505 PolarHBondContact O-N 3.08Š|
| 506 | S | 43.7 | Very low | 43.8 | Very low | 105 Ų | 105 | 142.2 Ų | 142.2 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | | | trans | -55.1 | 139.5 | 142.4 | -172.6 | 0 | 0 | 0 | 0 | 109 | | |
| 507 | G | 42.1 | Very low | 43.5 | Very low | 75 Ų | 75 | 143.7 Ų | 143.7 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | | | trans | -170.2 | 27.9 | -170.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 508 | L | 48.9 | Very low | 43.2 | Very low | 171 Ų | 171 | 141.6 Ų | 141.6 | 90% | 0.895 | 80% | 0.795 | S | S | * | * | | | trans | -70.2 | 141.2 | 165.5 | -65.4 | 168.3 | 0 | 0 | 0 | 108.4 | | |
| 509 | G | 51.3 | Low | 42.8 | Very low | 66 Ų | 66 | 142.1 Ų | 142.1 | 68% | 0.68 | 80% | 0.8 | S | S | * | * | | | trans | 169.7 | 53.3 | -178 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 510 | L | 45.4 | Very low | 42.1 | Very low | 179 Ų | 179 | 139.1 Ų | 139.1 | 94% | 0.937 | 79% | 0.793 | S | S | * | * | | | trans | -148.6 | 78.8 | 154.9 | -75.5 | -173.3 | 0 | 0 | 0 | 109.4 | | |
| 511 | S | 39.5 | Very low | 41.8 | Very low | 120 Ų | 120 | 137.5 Ų | 137.5 | 84% | 0.839 | 79% | 0.788 | S | S | * | * | | | trans | -81.6 | 160.6 | 165.4 | 45.7 | 0 | 0 | 0 | 0 | 111.3 | | |
| 512 | S | 38.4 | Very low | 41.8 | Very low | 113 Ų | 113 | 140.8 Ų | 140.8 | 79% | 0.79 | 79% | 0.789 | S | S | * | * | | | trans | -55.9 | 153.4 | -169.9 | -66 | 0 | 0 | 0 | 0 | 116.5 | | |
| 513 | Q | 38.3 | Very low | 41.6 | Very low | 179 Ų | 179 | 139.7 Ų | 139.7 | 84% | 0.836 | 79% | 0.792 | S | S | * | * | | | trans | -124.1 | 110.9 | 140.7 | -73.8 | -169 | 5.8 | 0 | 0 | 110.2 | | |
| 514 | M | 40.2 | Very low | 41.2 | Very low | 165 Ų | 165 | 136.4 Ų | 136.4 | 81% | 0.813 | 80% | 0.796 | S | S | * | * | | | trans | -74.7 | 139.5 | 148.5 | -69.2 | 176.6 | 65.7 | 0 | 0 | 107.4 | | |
| 515 | S | 35.4 | Very low | 40.1 | Very low | 90 Ų | 90 | 132.9 Ų | 132.9 | 63% | 0.629 | 80% | 0.8 | S | S | * | * | | | trans | -148.2 | 76.6 | 177.4 | -66.9 | 0 | 0 | 0 | 0 | 110.7 | L517 | S515-L517 PolarHBondContact O-N 3.37Š|
| 516 | N | 45.8 | Very low | 39.9 | Very low | 149 Ų | 149 | 131.5 Ų | 131.5 | 80% | 0.797 | 80% | 0.803 | S | S | * | * | | | trans | -89.8 | 85.1 | 166.6 | -66.3 | -14.6 | 0 | 0 | 0 | 108.8 | | |
| 517 | L | 42.2 | Very low | 39.8 | Very low | 174 Ų | 174 | 135.7 Ų | 135.7 | 91% | 0.911 | 81% | 0.811 | S | S | * | * | | | trans | -139.4 | 122.9 | 162.3 | -78.9 | -176.7 | 0 | 0 | 0 | 111.7 | S515 | S515-L517 PolarHBondContact O-N 3.37Š|
| 518 | S | 37.3 | Very low | 39.7 | Very low | 111 Ų | 111 | 136.8 Ų | 136.8 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | | | trans | -80.6 | 121.7 | 174.3 | 173 | 0 | 0 | 0 | 0 | 111 | | |
| 519 | L | 33.7 | Very low | 39.4 | Very low | 152 Ų | 152 | 134.8 Ų | 134.8 | 80% | 0.796 | 80% | 0.797 | S | S | * | * | | | trans | 24.3 | 106 | 132.7 | -173.1 | 83.2 | 0 | 0 | 0 | 118.7 | | |
| 520 | L | 36.2 | Very low | 39.2 | Very low | 146 Ų | 146 | 138.8 Ų | 138.8 | 76% | 0.764 | 80% | 0.795 | S | S | * | * | | | trans | 177.5 | 139.9 | 131.5 | -129.8 | 49.6 | 0 | 0 | 0 | 106.6 | | |
| 521 | E | 34.4 | Very low | 39.5 | Very low | 144 Ų | 144 | 138.5 Ų | 138.5 | 67% | 0.673 | 79% | 0.789 | S | S | * | * | | | cis | 179.2 | 169.5 | -8.2 | -178.5 | -177.7 | 131.5 | 0 | 0 | 105.2 | | |
| 522 | M | 37.8 | Very low | 40 | Very low | 165 Ų | 165 | 141 Ų | 141 | 81% | 0.813 | 79% | 0.792 | S | S | * | * | | | trans | 97 | 135.9 | 161.9 | -69.2 | -65.7 | -147.7 | 0 | 0 | 121.8 | | |
| 523 | A | 34.2 | Very low | 40.7 | Very low | 96 Ų | 96 | 146.9 Ų | 146.9 | 79% | 0.793 | 80% | 0.797 | S | S | * | * | | | trans | 73.1 | 77.4 | 151.9 | 0 | 0 | 0 | 0 | 0 | 120.3 | | |
| 524 | G | 34.4 | Very low | 41.3 | Very low | 88 Ų | 88 | 145.3 Ų | 145.3 | 91% | 0.907 | 79% | 0.794 | S | S | * | * | | | | 59.6 | 112.4 | 107.5 | 0 | 0 | 0 | 0 | 0 | 120.6 | | |
| 525 | G | 33.3 | Very low | 41.8 | Very low | 77 Ų | 77 | 144.5 Ų | 144.5 | 79% | 0.794 | 80% | 0.798 | S | S | * | * | | | trans | 167.7 | 105.2 | 160.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q527 | G525-Q527 PolarHBondContact O-N 3.16Š|
| 526 | E | 45.6 | Very low | 42.9 | Very low | 196 Ų | 196 | 151 Ų | 151 | 92% | 0.916 | 81% | 0.809 | S | S | * | * | | | trans | -64.8 | 129.4 | 164.6 | -77.4 | -168.2 | 98 | 0 | 0 | 110.3 | | |
| 527 | Q | 40.6 | Very low | 43 | Very low | 194 Ų | 194 | 149.7 Ų | 149.7 | 91% | 0.907 | 81% | 0.809 | S | S | * | * | | | trans | -147 | 140.3 | 147.9 | -77.1 | -147.5 | 23.5 | 0 | 0 | 112.3 | G525 | G525-Q527 PolarHBondContact O-N 3.16Š|
| 528 | D | 40.7 | Very low | 43.7 | Very low | 98 Ų | 98 | 152 Ų | 152 | 52% | 0.524 | 81% | 0.806 | S | S | . | * | | | trans | -78.5 | 118.3 | -173 | -178 | 25.8 | 0 | 0 | 0 | 112.7 | K530 | D528-K530 VanDerWaalsContact C-N 3.35Å; D528-K530 PolarHBondContact O-N 3.25Å; D528-K530 VanDerWaalsContact OD1-CE 3.32Å; D528-K530 WeakPolarHBondContact OD1-CE 3.26Å; D528-K530 IonicContact OD1-NZ 2.7Å; D528-K530 PolarHBondContact OD1-NZ 3.45Å; D528-K530 WeakPolarHBondContact OD2-CD 3.27Å; D528-K530 IonicContact OD2-NZ 3.73Å; D528-K530 PolarHBondContact OD2-NZ 3.11Å |
| 529 | P | 42.9 | Very low | 44.2 | Very low | 128 Ų | 128 | 152.7 Ų | 152.7 | 83% | 0.831 | 81% | 0.807 | S | S | * | * | | | trans | -85.6 | 65 | -169.8 | 35.1 | -37 | 0 | 0 | 0 | 113.1 | | |
| 530 | K | 47.1 | Very low | 44.6 | Very low | 150 Ų | 150 | 150 Ų | 150 | 65% | 0.652 | 81% | 0.807 | S | S | * | * | | | trans | -113.4 | -6.4 | -177.4 | -66.9 | -173.4 | -171.7 | 112.9 | 0 | 117.1 | D528 | D528-K530 VanDerWaalsContact C-N 3.35Å; D528-K530 PolarHBondContact O-N 3.25Å; D528-K530 VanDerWaalsContact OD1-CE 3.32Å; D528-K530 WeakPolarHBondContact OD1-CE 3.26Å; D528-K530 IonicContact OD1-NZ 2.7Å; D528-K530 PolarHBondContact OD1-NZ 3.45Å; D528-K530 WeakPolarHBondContact OD2-CD 3.27Å; D528-K530 IonicContact OD2-NZ 3.73Å; D528-K530 PolarHBondContact OD2-NZ 3.11Å |
| 531 | H | 50.8 | Low | 45.2 | Very low | 174 Ų | 174 | 148.7 Ų | 148.7 | 81% | 0.806 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -118.1 | 1 | -168.3 | -67 | 108.9 | 0 | 0 | 0 | 117.3 | | |
| 532 | L | 51.1 | Low | 46.1 | Very low | 172 Ų | 172 | 150.3 Ų | 150.3 | 90% | 0.901 | 82% | 0.823 | S | S | * | * | | | trans | -104.1 | 41.6 | -173.5 | -61.5 | -179.1 | 0 | 0 | 0 | 115.2 | | |
| 533 | R | 51.9 | Low | 46.4 | Very low | 237 Ų | 237 | 145.3 Ų | 145.3 | 89% | 0.894 | 81% | 0.813 | S | S | * | * | | | trans | -145.2 | 67.5 | 177.2 | -68.8 | -171.2 | 179.4 | 153.9 | 1.4 | 114.8 | | |
| 534 | N | 52.7 | Low | 47.2 | Very low | 145 Ų | 145 | 147.1 Ų | 147.1 | 78% | 0.775 | 81% | 0.814 | S | S | * | * | | | trans | -162.1 | 36.3 | 158 | -114.8 | -25.7 | 0 | 0 | 0 | 117.7 | | |
| 535 | T | 50.8 | Low | 48.3 | Very low | 148 Ų | 148 | 146.6 Ų | 146.6 | 91% | 0.908 | 81% | 0.809 | S | S | * | * | | | trans | -118.2 | 43.3 | 177.2 | 49.2 | 0 | 0 | 0 | 0 | 113.5 | | |
| 536 | R | 56.7 | Low | 49.6 | Very low | 226 Ų | 226 | 151.7 Ų | 151.7 | 85% | 0.853 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -123.3 | 120.3 | 164.2 | -156.8 | 177.1 | -164.9 | -157.6 | 4.4 | 110.2 | R538 | R536-R538 PolarHBondContact O-N 3.38Š|
| 537 | P | 48.8 | Very low | 50.2 | Low | 122 Ų | 122 | 149 Ų | 149 | 79% | 0.792 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 131 | 177.3 | 25.8 | -32.9 | 0 | 0 | 0 | 109.9 | | |
| 538 | R | 56 | Low | 50.3 | Low | 224 Ų | 224 | 149.1 Ų | 149.1 | 85% | 0.845 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 138.7 | 171.9 | -68.6 | 179.4 | 178.6 | 149.9 | 0.8 | 108.9 | R536 A540 | R536-R538 PolarHBondContact O-N 3.38Å; R538-A540 PolarHBondContact O-N 3.35Å |
| 539 | P | 48.4 | Very low | 50.6 | Low | 124 Ų | 124 | 151.5 Ų | 151.5 | 81% | 0.805 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 139.4 | 170.9 | 26.8 | -33.6 | 0 | 0 | 0 | 109.8 | S541 | P539-S541 PolarHBondContact O-N 2.94Š|
| 540 | A | 42.3 | Very low | 50.5 | Low | 97 Ų | 97 | 154.8 Ų | 154.8 | 80% | 0.802 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 126.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | R538 L542 | R538-A540 PolarHBondContact O-N 3.35Å; A540-L542 PolarHBondContact O-N 3Å |
| 541 | S | 48.9 | Very low | 50.5 | Low | 118 Ų | 118 | 153.2 Ų | 153.2 | 83% | 0.825 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 122.4 | 167.6 | -174.5 | 0 | 0 | 0 | 0 | 108.3 | P539 G543 | P539-S541 PolarHBondContact O-N 2.94Å; S541-G543 PolarHBondContact O-N 3.27Å |
| 542 | L | 52.4 | Low | 50 | Low | 178 Ų | 178 | 155.2 Ų | 155.2 | 93% | 0.932 | 83% | 0.827 | S | S | * | * | | | trans | -71.4 | 68.2 | 168.8 | -75.8 | 170.1 | 0 | 0 | 0 | 110.1 | A540 | A540-L542 PolarHBondContact O-N 3Š|
| 543 | G | 45.8 | Very low | 49.2 | Very low | 59 Ų | 59 | 150.6 Ų | 150.6 | 61% | 0.608 | 82% | 0.821 | S | S | * | * | | | trans | -72.9 | 125.2 | 161.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | S541 G545 | S541-G543 PolarHBondContact O-N 3.27Å; G543-G545 PolarHBondContact O-N 3.28Å |
| 544 | T | 51.1 | Low | 48.5 | Very low | 134 Ų | 134 | 148.9 Ų | 148.9 | 82% | 0.822 | 82% | 0.823 | S | S | * | * | | | trans | -63.8 | 100.9 | 172.7 | 47.5 | 0 | 0 | 0 | 0 | 109.5 | K546 | T544-K546 PolarHBondContact O-N 3.01Å; T544-K546 VanDerWaalsContact O-N 3.14Å |
| 545 | G | 55.7 | Low | 47.5 | Very low | 77 Ų | 77 | 145.1 Ų | 145.1 | 79% | 0.794 | 82% | 0.819 | S | S | * | * | | | trans | -67.1 | 110.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | G543 | G543-G545 PolarHBondContact O-N 3.28Š|
| 546 | K | 62.2 | Low | 46.9 | Very low | 184 Ų | 184 | 146 Ų | 146 | 80% | 0.8 | 82% | 0.817 | S | S | * | * | | | trans | -136.7 | 1.6 | 173 | -161.1 | 57.7 | -179 | -177.7 | 0 | 115 | T544 | T544-K546 PolarHBondContact O-N 3.01Å; T544-K546 VanDerWaalsContact O-N 3.14Å |
| 547 | D | 57.3 | Low | 45.9 | Very low | 140 Ų | 140 | 141.7 Ų | 141.7 | 75% | 0.749 | 82% | 0.816 | S | S | * | * | | | trans | -120.4 | 31.1 | -161.3 | -50.5 | -63.5 | 0 | 0 | 0 | 115.7 | | |
| 548 | F | 43.9 | Very low | 45.1 | Very low | 196 Ų | 196 | 140.3 Ų | 140.3 | 86% | 0.86 | 81% | 0.814 | S | S | * | * | | | trans | -127.2 | 86.8 | 174 | -65.8 | -68.9 | 0 | 0 | 0 | 112.6 | | |
| 549 | N | 46.2 | Very low | 44 | Very low | 148 Ų | 148 | 135.7 Ų | 135.7 | 79% | 0.791 | 82% | 0.817 | S | S | * | * | | | trans | -152.6 | 67.6 | 160.8 | -92.9 | -50.4 | 0 | 0 | 0 | 111.3 | | |
| 550 | H | 39.8 | Very low | 43.2 | Very low | 197 Ų | 197 | 133.4 Ų | 133.4 | 91% | 0.912 | 82% | 0.816 | S | S | * | * | | | trans | -141.1 | 79.9 | 164.6 | -75.5 | -52.6 | 0 | 0 | 0 | 112.5 | | |
| 551 | P | 48.6 | Very low | 43 | Very low | 118 Ų | 118 | 135.4 Ų | 135.4 | 77% | 0.766 | 82% | 0.818 | S | S | * | * | | | trans | -91.7 | 117.9 | 147.4 | 31.7 | -26.4 | 0 | 0 | 0 | 109.6 | G553 | P551-G553 PolarHBondContact O-N 3Š|
| 552 | K | 38.9 | Very low | 42.4 | Very low | 216 Ų | 216 | 135.7 Ų | 135.7 | 94% | 0.939 | 82% | 0.82 | S | S | * | * | | | trans | -70.7 | 113.2 | 171 | 178.2 | -178 | 176.8 | -176.2 | 0 | 108.7 | | |
| 553 | G | 35.7 | Very low | 41.5 | Very low | 75 Ų | 75 | 136.5 Ų | 136.5 | 77% | 0.773 | 82% | 0.819 | S | S | * | * | | | trans | -127.4 | 135.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | P551 | P551-G553 PolarHBondContact O-N 3Š|
| 554 | E | 35.3 | Very low | 40.8 | Very low | 200 Ų | 200 | 138.6 Ų | 138.6 | 94% | 0.935 | 82% | 0.824 | S | S | * | * | | | trans | -103.5 | 137.8 | -166 | -178.4 | 174.2 | 179.5 | 0 | 0 | 111.3 | | |
| 555 | G | 33.3 | Very low | 40.1 | Very low | 66 Ų | 66 | 140.6 Ų | 140.6 | 68% | 0.68 | 82% | 0.824 | S | S | * | * | | | trans | 132.3 | 123.5 | 161.2 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 556 | L | 37.5 | Very low | 39.1 | Very low | 167 Ų | 167 | 145 Ų | 145 | 87% | 0.874 | 82% | 0.821 | S | S | * | * | | | trans | 76 | 104.7 | 145 | -58.2 | 170.1 | 0 | 0 | 0 | 121.2 | | |
| 557 | V | 36.2 | Very low | 37.7 | Very low | 136 Ų | 136 | 141.9 Ų | 141.9 | 82% | 0.824 | 82% | 0.82 | S | S | * | * | | | | 42.5 | 135 | 129.8 | -149.6 | 0 | 0 | 0 | 0 | 121.4 | | |
| 558 | A | 32.3 | Very low | 36.5 | Very low | 92 Ų | 92 | 142.3 Ų | 142.3 | 76% | 0.76 | 82% | 0.817 | S | S | * | * | | | trans | 112.4 | 104.4 | 144.2 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 559 | S | 32.5 | Very low | 36.1 | Very low | 128 Ų | 128 | 138.6 Ų | 138.6 | 90% | 0.895 | 81% | 0.813 | S | S | * | * | | | trans | 25 | 121.7 | 130.9 | -158.1 | 0 | 0 | 0 | 0 | 119.5 | | |
| 560 | G | 31.2 | Very low | 35.4 | Very low | 76 Ų | 76 | 138 Ų | 138 | 78% | 0.784 | 82% | 0.815 | S | S | * | * | | | trans | -172.2 | 91.4 | 168.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 561 | T | 38 | Very low | 35.7 | Very low | 139 Ų | 139 | 136.9 Ų | 136.9 | 85% | 0.853 | 81% | 0.81 | S | S | * | * | | | trans | -68.6 | 134 | 169.3 | 46 | 0 | 0 | 0 | 0 | 111.1 | | |
| 562 | S | 35.5 | Very low | 34.9 | Very low | 123 Ų | 123 | 134.4 Ų | 134.4 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | | | trans | -156.7 | 111.9 | 159.4 | -74.2 | 0 | 0 | 0 | 0 | 110.7 | | |
| 563 | E | 33.7 | Very low | 34.9 | Very low | 196 Ų | 196 | 133.3 Ų | 133.3 | 92% | 0.916 | 80% | 0.795 | S | S | * | * | | | trans | -62.2 | 147.6 | 158.4 | -64.3 | 169.1 | 73.1 | 0 | 0 | 110 | | |
| 564 | S | 32.5 | Very low | 34.8 | Very low | 102 Ų | 102 | 137.7 Ų | 137.7 | 71% | 0.713 | 80% | 0.795 | S | S | * | * | | | | -163.4 | 121.4 | 124.8 | -156.8 | 0 | 0 | 0 | 0 | 113.4 | | |
| 565 | Q | 35.5 | Very low | 34.9 | Very low | 177 Ų | 177 | 135.3 Ų | 135.3 | 83% | 0.827 | 78% | 0.784 | S | S | * | * | | | trans | 49.9 | 94.4 | 141.5 | -63.6 | -177.2 | -21.4 | 0 | 0 | 120.2 | | |
| 566 | K | 34.7 | Very low | 35.1 | Very low | 168 Ų | 168 | 143 Ų | 143 | 73% | 0.73 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 129.4 | 142.7 | 169.8 | -168 | 179.4 | -168.5 | 0 | 110.7 | | |
| 567 | P | 32.4 | Very low | 35.2 | Very low | 120 Ų | 120 | 142.3 Ų | 142.3 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -91.1 | 128.8 | 150.6 | 2.5 | 17.1 | 0 | 0 | 0 | 109.4 | | |
| 568 | Q | 33.2 | Very low | 35.8 | Very low | 148 Ų | 148 | 140.3 Ų | 140.3 | 69% | 0.692 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 140.1 | 171.3 | -172.8 | 168.4 | -38.5 | 0 | 0 | 109.2 | T570 | Q568-T570 PolarHBondContact O-N 3.06Š|
| 569 | P | 34.8 | Very low | 36.5 | Very low | 118 Ų | 118 | 141.5 Ų | 141.5 | 77% | 0.766 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 131.4 | -174.3 | 27.6 | -35 | 0 | 0 | 0 | 111.8 | | |
| 570 | T | 32.3 | Very low | 37.3 | Very low | 135 Ų | 135 | 145 Ų | 145 | 83% | 0.828 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 133 | 169.3 | -29.9 | 0 | 0 | 0 | 0 | 109.7 | Q568 A572 | Q568-T570 PolarHBondContact O-N 3.06Å; T570-A572 PolarHBondContact O-N 3Å |
| 571 | Q | 46 | Very low | 38.3 | Very low | 174 Ų | 174 | 148.3 Ų | 148.3 | 81% | 0.813 | 78% | 0.778 | S | S | * | * | | | trans | -61.1 | 107.3 | 171.5 | -91.2 | 177.5 | -38.8 | 0 | 0 | 110.4 | | |
| 572 | A | 30.4 | Very low | 39 | Very low | 67 Ų | 67 | 148 Ų | 148 | 55% | 0.554 | 78% | 0.778 | S | S | * | * | | | trans | -104.4 | 120.5 | 159.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | T570 H574 | T570-A572 PolarHBondContact O-N 3Å; A572-H574 VanDerWaalsContact C-N 3.29Å; A572-H574 PolarHBondContact O-N 3.34Å |
| 573 | F | 38.8 | Very low | 40.2 | Very low | 193 Ų | 193 | 152.5 Ų | 152.5 | 85% | 0.846 | 78% | 0.776 | S | S | * | * | | | trans | -68.7 | 86.3 | 174.5 | -76.2 | -95.5 | 0 | 0 | 0 | 109.8 | H575 | F573-H575 PolarHBondContact O-N 2.94Š|
| 574 | H | 35.4 | Very low | 41.7 | Very low | 167 Ų | 167 | 147.9 Ų | 147.9 | 77% | 0.773 | 77% | 0.766 | S | S | * | * | | | trans | -73.6 | 84 | 167.8 | -72.7 | -69.3 | 0 | 0 | 0 | 109.7 | A572 R576 | A572-H574 VanDerWaalsContact C-N 3.29Å; A572-H574 PolarHBondContact O-N 3.34Å; H574-R576 PolarHBondContact O-N 3.25Å; H574-R576 VanDerWaalsContact O-N 3.07Å |
| 575 | H | 35.8 | Very low | 43.3 | Very low | 149 Ų | 149 | 152.9 Ų | 152.9 | 69% | 0.69 | 78% | 0.778 | S | S | * | * | | | trans | -48.2 | 114.8 | 154.1 | -175.7 | -118.7 | 0 | 0 | 0 | 106.9 | F573 E577 | F573-H575 PolarHBondContact O-N 2.94Å; H575-E577 IonicContact CE1-OE1 2.68Å; H575-E577 PolarHBondContact CE1-OE1 3.42Å; H575-E577 IonicContact CG-OE1 3.59Å; H575-E577 IonicContact ND1-OE1 3.96Å; H575-E577 PolarHBondContact ND1-OE1 3.01Å; H575-E577 PolarHBondContact O-N 2.94Å |
| 576 | R | 38 | Very low | 45.1 | Very low | 227 Ų | 227 | 146.9 Ų | 146.9 | 86% | 0.857 | 76% | 0.763 | S | S | * | * | | | trans | -81.3 | 64.1 | -169.3 | -146.1 | -141.7 | -122 | -79 | 6.3 | 110.2 | H574 S578 | H574-R576 PolarHBondContact O-N 3.25Å; H574-R576 VanDerWaalsContact O-N 3.07Å; R576-S578 PolarHBondContact O-N 2.99Å |
| 577 | E | 40.3 | Very low | 47.2 | Very low | 153 Ų | 153 | 146.4 Ų | 146.4 | 72% | 0.715 | 77% | 0.767 | S | S | * | * | | | trans | -62.5 | 93.2 | 162.3 | -87.2 | 166.8 | -116.1 | 0 | 0 | 108.3 | H575 S579 | H575-E577 IonicContact CE1-OE1 2.68Å; H575-E577 PolarHBondContact CE1-OE1 3.42Å; H575-E577 IonicContact CG-OE1 3.59Å; H575-E577 IonicContact ND1-OE1 3.96Å; H575-E577 PolarHBondContact ND1-OE1 3.01Å; H575-E577 PolarHBondContact O-N 2.94Å; E577-S579 PolarHBondContact O-N 3.09Å |
| 578 | S | 48.7 | Very low | 49.4 | Very low | 94 Ų | 94 | 145.9 Ų | 145.9 | 66% | 0.657 | 77% | 0.766 | S | S | * | * | | | trans | -41.8 | 126.7 | 160.8 | -55.7 | 0 | 0 | 0 | 0 | 108 | R576 K580 | R576-S578 PolarHBondContact O-N 2.99Å; S578-K580 VanDerWaalsContact C-N 3.27Å; S578-K580 PolarHBondContact O-N 3.5Å |
| 579 | S | 47.6 | Very low | 51.7 | Low | 118 Ų | 118 | 144.1 Ų | 144.1 | 83% | 0.825 | 77% | 0.765 | S | S | * | * | | | trans | -57.1 | 88.8 | -178.1 | 52.9 | 0 | 0 | 0 | 0 | 110.6 | E577 L581 | E577-S579 PolarHBondContact O-N 3.09Å; S579-L581 VanDerWaalsContact C-N 3.34Å; S579-L581 PolarHBondContact O-N 3.39Å |
| 580 | K | 49 | Very low | 54.3 | Low | 200 Ų | 200 | 146.2 Ų | 146.2 | 87% | 0.87 | 77% | 0.767 | S | S | * | * | | | trans | -68.7 | 98.9 | 169.1 | -73.1 | 176.6 | -178.3 | 175 | 0 | 105.9 | S578 | S578-K580 VanDerWaalsContact C-N 3.27Å; S578-K580 PolarHBondContact O-N 3.5Å |
| 581 | L | 52.1 | Low | 56.8 | Low | 146 Ų | 146 | 146.7 Ų | 146.7 | 76% | 0.764 | 76% | 0.763 | S | S | * | * | | | trans | -45.5 | 152.8 | 144.9 | -63 | 172.9 | 0 | 0 | 0 | 108 | S579 R583 | S579-L581 VanDerWaalsContact C-N 3.34Å; S579-L581 PolarHBondContact O-N 3.39Å; L581-R583 PolarHBondContact O-N 2.92Å |
| 582 | P | 52.7 | Low | 58.8 | Low | 133 Ų | 133 | 143.4 Ų | 143.4 | 86% | 0.864 | 76% | 0.758 | S | S | * | * | | | trans | -62.2 | 81.5 | 167.2 | -16.9 | 31 | 0 | 0 | 0 | 108.7 | S584 | P582-S584 PolarHBondContact O-N 3.25Š|
| 583 | R | 60.7 | Low | 61.4 | Low | 218 Ų | 218 | 143.8 Ų | 143.8 | 82% | 0.823 | 75% | 0.754 | S | S | * | * | | | trans | -62.7 | 123 | 170.3 | -168 | 177.2 | -177.9 | 89.1 | 0 | 103.9 | L581 | L581-R583 PolarHBondContact O-N 2.92Š|
| 584 | S | 65.3 | Low | 63.8 | Low | 99 Ų | 99 | 143.7 Ų | 143.7 | 69% | 0.692 | 75% | 0.749 | S | S | * | * | | | trans | -45.8 | 155.6 | 167 | 47.3 | 0 | 0 | 0 | 0 | 109.6 | P582 G586 | P582-S584 PolarHBondContact O-N 3.25Å; S584-G586 PolarHBondContact O-N 3.45Å |
| 585 | Q | 66.3 | Low | 66.4 | Low | 207 Ų | 207 | 141 Ų | 141 | 97% | 0.967 | 75% | 0.746 | S | S | * | * | | | trans | -68.4 | 60.9 | -178.1 | -68.5 | 165.8 | -31.6 | 0 | 0 | 111.3 | | |
| 586 | G | 72.2 | Confident | 69 | Low | 50 Ų | 50 | 141.5 Ų | 141.5 | 52% | 0.515 | 75% | 0.748 | S | S | . | * | | | trans | -82.8 | 123.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 110 | S584 S588 | S584-G586 PolarHBondContact O-N 3.45Å; G586-S588 PolarHBondContact O-N 2.93Å; G586-S588 VanDerWaalsContact O-N 3.13Å |
| 587 | I | 78.5 | Confident | 71.4 | Confident | 158 Ų | 158 | 135.3 Ų | 135.3 | 81% | 0.81 | 73% | 0.732 | S | S | * | * | | | trans | -59.9 | 112.5 | 180 | -57 | 157.6 | 0 | 0 | 0 | 109 | V589 | I587-V589 HydrophobicContact CG2-CG2 4.01Å; I587-V589 PolarHBondContact O-N 3.02Å |
| 588 | S | 80.4 | Confident | 74 | Confident | 110 Ų | 110 | 130.6 Ų | 130.6 | 77% | 0.769 | 71% | 0.711 | S | S | * | * | | | trans | -83.6 | 96.7 | 174.1 | 59.3 | 0 | 0 | 0 | 0 | 110.1 | G586 M590 | G586-S588 PolarHBondContact O-N 2.93Å; G586-S588 VanDerWaalsContact O-N 3.13Å; S588-M590 PolarHBondContact O-N 2.95Å |
| 589 | V | 81.4 | Confident | 76.2 | Confident | 110 Ų | 110 | 130.3 Ų | 130.3 | 67% | 0.667 | 70% | 0.699 | S | S | * | * | | | trans | -80.5 | 115.3 | 175.2 | -176.4 | 0 | 0 | 0 | 0 | 109.8 | I587 I591 | I587-V589 HydrophobicContact CG2-CG2 4.01Å; I587-V589 PolarHBondContact O-N 3.02Å; V589-I591 HydrophobicContact CG1-CG1 4.1Å |
| 590 | M | 88.2 | Confident | 78.5 | Confident | 163 Ų | 163 | 129.5 Ų | 129.5 | 80% | 0.803 | 69% | 0.685 | S | S | * | * | | | trans | -84.3 | 113.2 | 169.3 | -78.7 | -62.5 | -59.9 | 0 | 0 | 109.8 | S588 | S588-M590 PolarHBondContact O-N 2.95Š|
| 591 | I | 85.3 | Confident | 80.8 | Confident | 144 Ų | 144 | 124.8 Ų | 124.8 | 74% | 0.738 | 66% | 0.662 | S | S | * | * | | | trans | -95.8 | 106.3 | 175.1 | -56.5 | 177.5 | 0 | 0 | 0 | 108.7 | V589 | V589-I591 HydrophobicContact CG1-CG1 4.1Š|
| 592 | C | 87.2 | Confident | 82.8 | Confident | 106 Ų | 106 | 122.8 Ų | 122.8 | 72% | 0.716 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 122.4 | 170.7 | -65 | 0 | 0 | 0 | 0 | 109.6 | | |
| 593 | P | 85.9 | Confident | 84.9 | Confident | 74 Ų | 74 | 121.2 Ų | 121.2 | 48% | 0.481 | 62% | 0.624 | S | S | . | * | P | Polyproline II helix | trans | -64.8 | 151.3 | 174.1 | 26.9 | -32.9 | 0 | 0 | 0 | 111.1 | | |
| 594 | R | 88.9 | Confident | 86.6 | Confident | 192 Ų | 192 | 113 Ų | 113 | 73% | 0.725 | 60% | 0.603 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 140.1 | -178.7 | -63.5 | -173.5 | -177.9 | -162.2 | 1.4 | 111.3 | E596 | R594-E596 VanDerWaalsContact C-N 3.29Å; R594-E596 PolarHBondContact O-N 3.33Å |
| 595 | P | 89.4 | Confident | 88.1 | Confident | 111 Ų | 111 | 110.8 Ų | 110.8 | 72% | 0.721 | 58% | 0.583 | S | S | * | * | G | 310 helix | trans | -73.2 | -18.4 | -178.1 | 30.6 | -36.6 | 0 | 0 | 0 | 113.8 | N597 E598 | P595-N597 PolarHBondContact O-N 2.97Å; P595-E598 VanDerWaalsContact O-CB 3.23Å; P595-E598 WeakPolarHBondContact O-CB 3.25Å; P595-E598 PolarHBondContact O-N 2.94Å; P595-E598 VanDerWaalsContact O-N 3.09Å |
| 596 | E | 90.8 | Very high | 89.6 | Confident | 158 Ų | 158 | 104.2 Ų | 104.2 | 74% | 0.738 | 55% | 0.551 | S | S | * | * | G | 310 helix | trans | -55.8 | -34.8 | -178.2 | -172.3 | 172.1 | -162 | 0 | 0 | 113.1 | R594 | R594-E596 VanDerWaalsContact C-N 3.29Å; R594-E596 PolarHBondContact O-N 3.33Å |
| 597 | N | 89.8 | Confident | 90.8 | Very high | 97 Ų | 97 | 110.8 Ų | 110.8 | 52% | 0.519 | 57% | 0.565 | S | S | . | * | G | 310 helix | trans | -104.9 | 21.7 | -179.2 | -59.8 | -38.2 | 0 | 0 | 0 | 112.7 | P595 E599 D600 R601 | P595-N597 PolarHBondContact O-N 2.97Å; N597-E599 VanDerWaalsContact C-N 3.31Å; N597-E599 PolarHBondContact O-N 3.17Å; N597-D600 PolarHBondContact O-N 3.34Å; N597-R601 WeakPolarHBondContact O-CB 3.47Å; N597-R601 PolarHBondContact O-N 2.79Å |
| 598 | E | 94.1 | Very high | 91.7 | Very high | 55 Ų | 55 | 109.2 Ų | 109.2 | 26% | 0.257 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -62.6 | -36 | -171.5 | -175.7 | 56.2 | -155 | 0 | 0 | 113.4 | P595 R601 R602 | P595-E598 VanDerWaalsContact O-CB 3.23Å; P595-E598 WeakPolarHBondContact O-CB 3.25Å; P595-E598 PolarHBondContact O-N 2.94Å; P595-E598 VanDerWaalsContact O-N 3.09Å; E598-R601 IonicContact OE1-CZ 3.34Å; E598-R601 IonicContact OE1-NE 3.84Å; E598-R601 IonicContact OE1-NH2 2.74Å; E598-R601 PolarHBondContact OE1-NH2 3.47Å; E598-R601 IonicContact OE2-CZ 3.36Å; E598-R601 IonicContact OE2-NE 3.67Å; E598-R601 PolarHBondContact OE2-NE 3.26Å; E598-R601 IonicContact OE2-NH2 2.64Å; E598-R601 PolarHBondContact OE2-NH2 2.81Å; E598-R602 WeakPolarHBondContact O-CB 3.31Å; E598-R602 VanDerWaalsContact O-CG 3.26Å; E598-R602 WeakPolarHBondContact O-CG 3.25Å; E598-R602 PolarHBondContact O-N 2.97Å; E598-R602 PolarHBondContact O-NE 3.01Å |
| 599 | E | 95.3 | Very high | 92.5 | Very high | 87 Ų | 87 | 107.1 Ų | 107.1 | 41% | 0.407 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -68.2 | -48.4 | 177.6 | -176.5 | 55 | -146.9 | 0 | 0 | 111.9 | N597 R601 R602 K603 | N597-E599 VanDerWaalsContact C-N 3.31Å; N597-E599 PolarHBondContact O-N 3.17Å; E599-R601 VanDerWaalsContact C-N 3.31Å; E599-R601 PolarHBondContact O-N 3.32Å; E599-R602 PolarHBondContact O-N 3.31Å; E599-R602 IonicContact OE2-CZ 2.71Å; E599-R602 IonicContact OE2-NE 3.97Å; E599-R602 IonicContact OE2-NH2 2.81Å; E599-R602 PolarHBondContact OE2-NH2 2.9Å; E599-K603 HydrophobicContact CG-CD 4.25Å; E599-K603 WeakPolarHBondContact O-CG 3.37Å; E599-K603 PolarHBondContact O-N 3.49Å; E599-K603 WeakPolarHBondContact OE1-CE 3.24Å; E599-K603 IonicContact OE1-NZ 2.68Å |
| 600 | D | 96.3 | Very high | 93.2 | Very high | 101 Ų | 101 | 108 Ų | 108 | 54% | 0.54 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -68.8 | -32.4 | 179.2 | -67.9 | -23.5 | 0 | 0 | 0 | 111.9 | N597 K603 A604 | N597-D600 PolarHBondContact O-N 3.34Å; D600-K603 PolarHBondContact O-N 2.96Å; D600-K603 IonicContact OD1-NZ 3.71Å; D600-A604 VanDerWaalsContact O-CB 3.25Å; D600-A604 WeakPolarHBondContact O-CB 3.49Å; D600-A604 PolarHBondContact O-N 3.01Å |
| 601 | R | 95.6 | Very high | 93.6 | Very high | 102 Ų | 102 | 103.7 Ų | 103.7 | 39% | 0.385 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.1 | -48.2 | 169.5 | -172.8 | 174.5 | 79.6 | 105.3 | -0.3 | 111.2 | N597 E598 E599 A604 L605 | N597-R601 WeakPolarHBondContact O-CB 3.47Å; N597-R601 PolarHBondContact O-N 2.79Å; E598-R601 IonicContact OE1-CZ 3.34Å; E598-R601 IonicContact OE1-NE 3.84Å; E598-R601 IonicContact OE1-NH2 2.74Å; E598-R601 PolarHBondContact OE1-NH2 3.47Å; E598-R601 IonicContact OE2-CZ 3.36Å; E598-R601 IonicContact OE2-NE 3.67Å; E598-R601 PolarHBondContact OE2-NE 3.26Å; E598-R601 IonicContact OE2-NH2 2.64Å; E598-R601 PolarHBondContact OE2-NH2 2.81Å; E599-R601 VanDerWaalsContact C-N 3.31Å; E599-R601 PolarHBondContact O-N 3.32Å; R601-A604 PolarHBondContact O-N 3.23Å; R601-L605 HydrophobicContact CG-CD1 4.14Å; R601-L605 WeakPolarHBondContact O-CB 3.4Å; R601-L605 VanDerWaalsContact O-CG 3.25Å; R601-L605 WeakPolarHBondContact O-CG 3.25Å; R601-L605 PolarHBondContact O-N 3.15Å |
| 602 | R | 95.6 | Very high | 93.9 | Very high | 104 Ų | 104 | 107.7 Ų | 107.7 | 39% | 0.392 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63 | -45.2 | 176.8 | -73.8 | 179.6 | -61.5 | 174.3 | 0.2 | 111.6 | E598 E599 A604 L605 K606 L611 | E598-R602 WeakPolarHBondContact O-CB 3.31Å; E598-R602 VanDerWaalsContact O-CG 3.26Å; E598-R602 WeakPolarHBondContact O-CG 3.25Å; E598-R602 PolarHBondContact O-N 2.97Å; E598-R602 PolarHBondContact O-NE 3.01Å; E599-R602 PolarHBondContact O-N 3.31Å; E599-R602 IonicContact OE2-CZ 2.71Å; E599-R602 IonicContact OE2-NE 3.97Å; E599-R602 IonicContact OE2-NH2 2.81Å; E599-R602 PolarHBondContact OE2-NH2 2.9Å; R602-A604 PolarHBondContact O-N 3.06Å; R602-L605 PolarHBondContact O-N 3.03Å; R602-K606 WeakPolarHBondContact O-CB 3.31Å; R602-K606 WeakPolarHBondContact O-CG 3.38Å; R602-K606 PolarHBondContact O-N 3.39Å; R602-L611 HydrophobicContact CB-CD2 4.08Å; R602-L611 HydrophobicContact CG-CD2 3.98Å |
| 603 | K | 96.6 | Very high | 93.6 | Very high | 99 Ų | 99 | 111.9 Ų | 111.9 | 43% | 0.43 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -58.7 | -42.3 | 173.6 | -73 | 166.9 | 176.8 | 156.8 | 0 | 112.7 | E599 D600 K606 K607 | E599-K603 HydrophobicContact CG-CD 4.25Å; E599-K603 WeakPolarHBondContact O-CG 3.37Å; E599-K603 PolarHBondContact O-N 3.49Å; E599-K603 WeakPolarHBondContact OE1-CE 3.24Å; E599-K603 IonicContact OE1-NZ 2.68Å; D600-K603 PolarHBondContact O-N 2.96Å; D600-K603 IonicContact OD1-NZ 3.71Å; K603-K606 PolarHBondContact O-N 3.11Å; K603-K607 WeakPolarHBondContact O-CB 3.43Å; K603-K607 WeakPolarHBondContact O-CG 3.45Å; K603-K607 PolarHBondContact O-N 3.23Å |
| 604 | A | 96.3 | Very high | 94 | Very high | 47 Ų | 47 | 113.8 Ų | 113.8 | 39% | 0.388 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -66 | -44 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | D600 R601 R602 K606 K607 L608 | D600-A604 VanDerWaalsContact O-CB 3.25Å; D600-A604 WeakPolarHBondContact O-CB 3.49Å; D600-A604 PolarHBondContact O-N 3.01Å; R601-A604 PolarHBondContact O-N 3.23Å; R602-A604 PolarHBondContact O-N 3.06Å; A604-K606 VanDerWaalsContact C-N 3.34Å; A604-K606 PolarHBondContact O-N 2.93Å; A604-K607 PolarHBondContact O-N 2.97Å; A604-L608 WeakPolarHBondContact O-CB 3.22Å; A604-L608 VanDerWaalsContact O-CG 3.29Å; A604-L608 WeakPolarHBondContact O-CG 3.35Å; A604-L608 PolarHBondContact O-N 3.36Å |
| 605 | L | 97.3 | Very high | 94.3 | Very high | 51 Ų | 51 | 109.7 Ų | 109.7 | 27% | 0.267 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -64.3 | -37.4 | 176 | -68.4 | 170.5 | 0 | 0 | 0 | 112.2 | R601 R602 L608 G609 L610 L611 | R601-L605 HydrophobicContact CG-CD1 4.14Å; R601-L605 WeakPolarHBondContact O-CB 3.4Å; R601-L605 VanDerWaalsContact O-CG 3.25Å; R601-L605 WeakPolarHBondContact O-CG 3.25Å; R601-L605 PolarHBondContact O-N 3.15Å; R602-L605 PolarHBondContact O-N 3.03Å; L605-L608 PolarHBondContact O-N 3.34Å; L605-G609 PolarHBondContact O-N 2.86Å; L605-L610 HydrophobicContact CB-CB 4.39Å; L605-L610 HydrophobicContact CD2-CB 3.96Å; L605-L610 HydrophobicContact CD2-CD1 3.83Å; L605-L610 PolarHBondContact O-N 3.11Å; L605-L611 HydrophobicContact CB-CB 3.74Å; L605-L611 HydrophobicContact CB-CD2 4.35Å; L605-L611 PolarHBondContact O-N 3.24Å |
| 606 | K | 97.4 | Very high | 94.6 | Very high | 70 Ų | 70 | 109.6 Ų | 109.6 | 30% | 0.304 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61.9 | -49.3 | 171.3 | -73.8 | 177 | 170.6 | -152.9 | 0 | 111.6 | R602 K603 A604 L608 G609 L611 R612 D613 | R602-K606 WeakPolarHBondContact O-CB 3.31Å; R602-K606 WeakPolarHBondContact O-CG 3.38Å; R602-K606 PolarHBondContact O-N 3.39Å; K603-K606 PolarHBondContact O-N 3.11Å; A604-K606 VanDerWaalsContact C-N 3.34Å; A604-K606 PolarHBondContact O-N 2.93Å; K606-L608 PolarHBondContact O-N 2.89Å; K606-G609 PolarHBondContact O-N 2.8Å; K606-L611 WeakPolarHBondContact CA-O 2.76Å; K606-L611 HydrophobicContact CG-CB 4.16Å; K606-L611 HydrophobicContact CG-CD2 4.32Å; K606-L611 HydrophobicContact CG-CG 4.23Å; K606-R612 WeakPolarHBondContact CE-O 3.31Å; K606-D613 VanDerWaalsContact CD-OD1 3.31Å; K606-D613 WeakPolarHBondContact CD-OD1 3.26Å; K606-D613 WeakPolarHBondContact CE-OD1 3.29Å; K606-D613 WeakPolarHBondContact CE-OXT 3.37Å; K606-D613 VanDerWaalsContact NZ-CA 3.3Å; K606-D613 IonicContact NZ-OD1 2.8Å; K606-D613 PolarHBondContact NZ-OD1 2.92Å; K606-D613 PolarHBondContact NZ-OXT 3.41Å |
| 607 | K | 97.1 | Very high | 94.8 | Very high | 187 Ų | 187 | 106.8 Ų | 106.8 | 81% | 0.813 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -60.2 | -28.9 | 174.5 | -75.9 | -178.9 | 176.6 | -175 | 0 | 114.2 | K603 A604 G609 | K603-K607 WeakPolarHBondContact O-CB 3.43Å; K603-K607 WeakPolarHBondContact O-CG 3.45Å; K603-K607 PolarHBondContact O-N 3.23Å; A604-K607 PolarHBondContact O-N 2.97Å; K607-G609 VanDerWaalsContact C-N 3.34Å |
| 608 | L | 97.3 | Very high | 95.1 | Very high | 125 Ų | 125 | 107.4 Ų | 107.4 | 65% | 0.654 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.5 | -1.5 | 175.3 | -68.9 | 172.5 | 0 | 0 | 0 | 113.5 | A604 L605 K606 L610 | A604-L608 WeakPolarHBondContact O-CB 3.22Å; A604-L608 VanDerWaalsContact O-CG 3.29Å; A604-L608 WeakPolarHBondContact O-CG 3.35Å; A604-L608 PolarHBondContact O-N 3.36Å; L605-L608 PolarHBondContact O-N 3.34Å; K606-L608 PolarHBondContact O-N 2.89Å; L608-L610 HydrophobicContact CB-CD1 3.92Å; L608-L610 HydrophobicContact CB-CG 3.97Å; L608-L610 HydrophobicContact CD1-CD1 4.08Å; L608-L610 PolarHBondContact O-N 2.96Å |
| 609 | G | 96.5 | Very high | 95.2 | Very high | 66 Ų | 66 | 110.9 Ų | 110.9 | 68% | 0.68 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.1 | 14.4 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | L605 K606 K607 | L605-G609 PolarHBondContact O-N 2.86Å; K606-G609 PolarHBondContact O-N 2.8Å; K607-G609 VanDerWaalsContact C-N 3.34Å |
| 610 | L | 97.1 | Very high | 95.2 | Very high | 129 Ų | 129 | 112.6 Ų | 112.6 | 68% | 0.675 | 56% | 0.558 | S | S | * | * | S | Bend | trans | -88.1 | -15.6 | 179.7 | -65.9 | 174.2 | 0 | 0 | 0 | 112.7 | L605 L608 | L605-L610 HydrophobicContact CB-CB 4.39Å; L605-L610 HydrophobicContact CD2-CB 3.96Å; L605-L610 HydrophobicContact CD2-CD1 3.83Å; L605-L610 PolarHBondContact O-N 3.11Å; L608-L610 HydrophobicContact CB-CD1 3.92Å; L608-L610 HydrophobicContact CB-CG 3.97Å; L608-L610 HydrophobicContact CD1-CD1 4.08Å; L608-L610 PolarHBondContact O-N 2.96Å |
| 611 | L | 95.9 | Very high | 95.1 | Very high | 72 Ų | 72 | 113.5 Ų | 113.5 | 38% | 0.377 | 56% | 0.559 | S | S | . | * | S | Bend | trans | -134.7 | 133.2 | 175.2 | -173.8 | 61 | 0 | 0 | 0 | 107.7 | R602 L605 K606 | R602-L611 HydrophobicContact CB-CD2 4.08Å; R602-L611 HydrophobicContact CG-CD2 3.98Å; L605-L611 HydrophobicContact CB-CB 3.74Å; L605-L611 HydrophobicContact CB-CD2 4.35Å; L605-L611 PolarHBondContact O-N 3.24Å; K606-L611 WeakPolarHBondContact CA-O 2.76Å; K606-L611 HydrophobicContact CG-CB 4.16Å; K606-L611 HydrophobicContact CG-CD2 4.32Å; K606-L611 HydrophobicContact CG-CG 4.23Å |
| 612 | R | 92.3 | Very high | 95 | Very high | 229 Ų | 229 | 114.4 Ų | 114.4 | 86% | 0.864 | 57% | 0.574 | S | S | * | * | | | trans | -83.4 | 165.6 | 172 | -68.8 | -171.5 | -67.6 | 177.4 | 1.1 | 110 | K606 | K606-R612 WeakPolarHBondContact CE-O 3.31Š|
| 613 | D | 80.8 | Confident | 95 | Very high | 194 Ų | 194 | 115.4 Ų | 115.4 | 100% | 1.037 | 59% | 0.59 | S | S | * | * | | | trans | -65.3 | 0 | -174.6 | -90.5 | -61.4 | 0 | 0 | 0 | 114.8 | K606 | K606-D613 VanDerWaalsContact CD-OD1 3.31Å; K606-D613 WeakPolarHBondContact CD-OD1 3.26Å; K606-D613 WeakPolarHBondContact CE-OD1 3.29Å; K606-D613 WeakPolarHBondContact CE-OXT 3.37Å; K606-D613 VanDerWaalsContact NZ-CA 3.3Å; K606-D613 IonicContact NZ-OD1 2.8Å; K606-D613 PolarHBondContact NZ-OD1 2.92Å; K606-D613 PolarHBondContact NZ-OXT 3.41Å |