| 1 | M | 49.6 | Very low | 56.8 | Low | 241 Ų | 241 | 141.3 Ų | 141.3 | 100% | 1.187 | 77% | 0.768 | S | S | * | * | | | | 0 | 143 | 0 | -84.9 | 175.9 | -77.1 | 0 | 0 | 107.2 | | |
| 2 | E | 48.3 | Very low | 57.1 | Low | 187 Ų | 187 | 135.9 Ų | 135.9 | 87% | 0.874 | 75% | 0.747 | S | S | * | * | | | trans | -69.5 | 155.9 | -156.7 | -60.3 | 174.3 | 119 | 0 | 0 | 111.8 | D4 | E2-D4 PolarHBondContact O-N 2.77Š|
| 3 | T | 56.1 | Low | 57.2 | Low | 134 Ų | 134 | 136.3 Ų | 136.3 | 82% | 0.822 | 75% | 0.748 | S | S | * | * | | | trans | -72.8 | 107.9 | -175.2 | 48.2 | 0 | 0 | 0 | 0 | 110.4 | A5 | T3-A5 PolarHBondContact O-N 3.48Š|
| 4 | D | 54.3 | Low | 57.5 | Low | 150 Ų | 150 | 136.7 Ų | 136.7 | 80% | 0.802 | 75% | 0.749 | S | S | * | * | | | trans | -72.7 | 82.4 | 166.8 | -68.1 | -41.4 | 0 | 0 | 0 | 109 | E2 I6 | E2-D4 PolarHBondContact O-N 2.77Å; D4-I6 HydrophobicContact CB-CG2 4.15Å; D4-I6 PolarHBondContact O-N 2.8Å |
| 5 | A | 62.5 | Low | 58 | Low | 88 Ų | 88 | 136.3 Ų | 136.3 | 73% | 0.727 | 74% | 0.74 | S | S | * | * | | | trans | -67.8 | 80.5 | 157.2 | 0 | 0 | 0 | 0 | 0 | 107.1 | T3 D7 | T3-A5 PolarHBondContact O-N 3.48Å; A5-D7 PolarHBondContact O-N 3.23Å |
| 6 | I | 60.7 | Low | 58.2 | Low | 148 Ų | 148 | 137.9 Ų | 137.9 | 76% | 0.759 | 75% | 0.746 | S | S | * | * | | | trans | -78.9 | 68.3 | 160.8 | 81 | 113.8 | 0 | 0 | 0 | 106.6 | D4 G8 | D4-I6 HydrophobicContact CB-CG2 4.15Å; D4-I6 PolarHBondContact O-N 2.8Å; I6-G8 PolarHBondContact O-N 2.86Å |
| 7 | D | 55.8 | Low | 58.2 | Low | 135 Ų | 135 | 134.7 Ų | 134.7 | 72% | 0.722 | 74% | 0.737 | S | S | * | * | | | trans | -62.5 | 86 | 149.7 | -172.5 | 36.4 | 0 | 0 | 0 | 103.8 | A5 Y9 | A5-D7 PolarHBondContact O-N 3.23Å; D7-Y9 PolarHBondContact O-N 3.14Å |
| 8 | G | 55.8 | Low | 58.3 | Low | 52 Ų | 52 | 131.5 Ų | 131.5 | 54% | 0.536 | 72% | 0.724 | S | S | . | * | | | trans | -61.4 | 88.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 105 | I6 I10 | I6-G8 PolarHBondContact O-N 2.86Å; G8-I10 VanDerWaalsContact C-N 3.34Å; G8-I10 PolarHBondContact O-N 2.93Å |
| 9 | Y | 58.1 | Low | 58.6 | Low | 185 Ų | 185 | 132.3 Ų | 132.3 | 73% | 0.725 | 72% | 0.721 | S | S | * | * | | | trans | -52.2 | 108.4 | 173.2 | -154.2 | -90.2 | 0 | 0 | 0 | 104 | D7 T11 | D7-Y9 PolarHBondContact O-N 3.14Å; Y9-T11 HydrophobicContact CD1-CG2 3.99Å; Y9-T11 PolarHBondContact O-N 2.94Å |
| 10 | I | 62.9 | Low | 58.7 | Low | 142 Ų | 142 | 128.6 Ų | 128.6 | 73% | 0.728 | 72% | 0.716 | S | S | * | * | | | trans | -63.3 | 97.8 | 162.8 | -61.8 | 172.5 | 0 | 0 | 0 | 101.5 | G8 C12 | G8-I10 VanDerWaalsContact C-N 3.34Å; G8-I10 PolarHBondContact O-N 2.93Å; I10-C12 PolarHBondContact O-N 3.4Å |
| 11 | T | 60.7 | Low | 58.8 | Low | 92 Ų | 92 | 129 Ų | 129 | 56% | 0.564 | 71% | 0.712 | S | S | * | * | | | trans | -65.7 | 86.8 | 167.6 | 54 | 0 | 0 | 0 | 0 | 104.1 | Y9 D13 | Y9-T11 HydrophobicContact CD1-CG2 3.99Å; Y9-T11 PolarHBondContact O-N 2.94Å; T11-D13 PolarHBondContact O-N 2.91Å |
| 12 | C | 60.5 | Low | 59.5 | Low | 77 Ų | 77 | 121.8 Ų | 121.8 | 52% | 0.52 | 68% | 0.675 | S | S | . | * | | | trans | -65.4 | 79.6 | 146.7 | -52.2 | 0 | 0 | 0 | 0 | 103.6 | I10 E15 | I10-C12 PolarHBondContact O-N 3.4Å; C12-E15 WeakPolarHBondContact CB-OE1 3.46Å; C12-E15 VanDerWaalsContact O-CG 3.25Å; C12-E15 WeakPolarHBondContact O-CG 3.37Å |
| 13 | D | 58.7 | Low | 60 | Low | 141 Ų | 141 | 117 Ų | 117 | 75% | 0.754 | 67% | 0.667 | S | S | * | * | | | trans | -90.6 | 25.1 | 159.5 | 65.1 | -25.1 | 0 | 0 | 0 | 109.3 | T11 | T11-D13 PolarHBondContact O-N 2.91Š|
| 14 | N | 60.4 | Low | 60.3 | Low | 142 Ų | 142 | 117.7 Ų | 117.7 | 76% | 0.759 | 67% | 0.666 | S | S | * | * | | | trans | -84.1 | 8.5 | 165.6 | -166.3 | 86.9 | 0 | 0 | 0 | 111.5 | L16 | N14-L16 PolarHBondContact O-N 2.95Å; N14-L16 VanDerWaalsContact O-N 3.13Å |
| 15 | E | 65.2 | Low | 60.8 | Low | 131 Ų | 131 | 116.8 Ų | 116.8 | 61% | 0.612 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -83.9 | 98.2 | -176.1 | -41.2 | -57.7 | 114 | 0 | 0 | 109.8 | C12 | C12-E15 WeakPolarHBondContact CB-OE1 3.46Å; C12-E15 VanDerWaalsContact O-CG 3.25Å; C12-E15 WeakPolarHBondContact O-CG 3.37Å |
| 16 | L | 61 | Low | 61.2 | Low | 161 Ų | 161 | 117 Ų | 117 | 84% | 0.843 | 66% | 0.661 | S | S | * | * | | | trans | 79.4 | 45.2 | 156 | -45.7 | 172 | 0 | 0 | 0 | 116.3 | N14 P18 | N14-L16 PolarHBondContact O-N 2.95Å; N14-L16 VanDerWaalsContact O-N 3.13Å; L16-P18 VanDerWaalsContact O-CD 3.25Å; L16-P18 WeakPolarHBondContact O-CD 3.25Å |
| 17 | S | 58.8 | Low | 61.7 | Low | 84 Ų | 84 | 117 Ų | 117 | 59% | 0.587 | 66% | 0.661 | S | S | * | * | | | trans | -71.8 | 109.7 | 149.9 | -103.7 | 0 | 0 | 0 | 0 | 107.8 | E19 | S17-E19 WeakPolarHBondContact CA-OE2 3.46Å; S17-E19 WeakPolarHBondContact CB-OE1 3.42Å; S17-E19 WeakPolarHBondContact CB-OE2 3.25Å; S17-E19 PolarHBondContact O-N 3.37Å; S17-E19 PolarHBondContact OG-OE1 3.18Å; S17-E19 PolarHBondContact OG-OE2 3.37Å |
| 18 | P | 60.2 | Low | 62.2 | Low | 77 Ų | 77 | 115.4 Ų | 115.4 | 50% | 0.5 | 65% | 0.652 | S | S | . | * | | | trans | -75 | 46.9 | 177.7 | 36.3 | -35.7 | 0 | 0 | 0 | 110 | L16 G20 E21 | L16-P18 VanDerWaalsContact O-CD 3.25Å; L16-P18 WeakPolarHBondContact O-CD 3.25Å; P18-G20 PolarHBondContact O-N 3.32Å; P18-E21 HydrophobicContact CB-CG 4.05Å |
| 19 | E | 63.5 | Low | 62.7 | Low | 146 Ų | 146 | 120.3 Ų | 120.3 | 68% | 0.682 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.6 | 9.9 | -167.6 | -97.4 | 84.5 | 127.5 | 0 | 0 | 113.1 | S17 | S17-E19 WeakPolarHBondContact CA-OE2 3.46Å; S17-E19 WeakPolarHBondContact CB-OE1 3.42Å; S17-E19 WeakPolarHBondContact CB-OE2 3.25Å; S17-E19 PolarHBondContact O-N 3.37Å; S17-E19 PolarHBondContact OG-OE1 3.18Å; S17-E19 PolarHBondContact OG-OE2 3.37Å |
| 20 | G | 61.2 | Low | 62.7 | Low | 59 Ų | 59 | 115.9 Ų | 115.9 | 61% | 0.608 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -154.1 | -8.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | P18 | P18-G20 PolarHBondContact O-N 3.32Š|
| 21 | E | 61.1 | Low | 62.3 | Low | 136 Ų | 136 | 113.7 Ų | 113.7 | 64% | 0.636 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.8 | -19.4 | -173.7 | 39.5 | 167.7 | -144.2 | 0 | 0 | 114 | P18 | P18-E21 HydrophobicContact CB-CG 4.05Š|
| 22 | H | 63.9 | Low | 62.1 | Low | 90 Ų | 90 | 114.4 Ų | 114.4 | 42% | 0.417 | 66% | 0.663 | S | S | . | * | S | Bend | trans | -127.9 | 1.2 | -168.8 | -61.4 | -49.8 | 0 | 0 | 0 | 115.6 | N24 M25 | H22-N24 PolarHBondContact O-N 3Å; H22-M25 HydrophobicContact CB-CE 3.84Å; H22-M25 HydrophobicContact CB-CG 4.45Å; H22-M25 WeakPolarHBondContact ND1-CE 3.21Å; H22-M25 PolarHBondContact O-N 2.81Å |
| 23 | A | 59.5 | Low | 61.9 | Low | 86 Ų | 86 | 114.8 Ų | 114.8 | 71% | 0.711 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.7 | -12.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 24 | N | 61.2 | Low | 61.8 | Low | 149 Ų | 149 | 114.5 Ų | 114.5 | 80% | 0.797 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.5 | 22.9 | -177.9 | -54.2 | -65.1 | 0 | 0 | 0 | 113.3 | H22 A26 | H22-N24 PolarHBondContact O-N 3Å; N24-A26 PolarHBondContact O-N 3.33Å |
| 25 | M | 65.3 | Low | 61.7 | Low | 132 Ų | 132 | 114 Ų | 114 | 65% | 0.65 | 67% | 0.667 | S | S | * | * | | | trans | -76.7 | 61.2 | 170.3 | -66.3 | -156.7 | -62 | 0 | 0 | 111 | H22 I27 | H22-M25 HydrophobicContact CB-CE 3.84Å; H22-M25 HydrophobicContact CB-CG 4.45Å; H22-M25 WeakPolarHBondContact ND1-CE 3.21Å; H22-M25 PolarHBondContact O-N 2.81Å; M25-I27 PolarHBondContact O-N 3.1Å |
| 26 | A | 71.4 | Confident | 61.5 | Low | 93 Ų | 93 | 110.7 Ų | 110.7 | 77% | 0.769 | 67% | 0.668 | S | S | * | * | | | trans | -76.9 | 100.1 | 166.5 | 0 | 0 | 0 | 0 | 0 | 107.6 | N24 D28 | N24-A26 PolarHBondContact O-N 3.33Å; A26-D28 PolarHBondContact O-N 3.05Å; A26-D28 VanDerWaalsContact O-N 3.15Å |
| 27 | I | 70 | Confident | 61.6 | Low | 148 Ų | 148 | 110.5 Ų | 110.5 | 76% | 0.759 | 66% | 0.662 | S | S | * | * | | | trans | -76 | 103.6 | 175.2 | -44.2 | 174.6 | 0 | 0 | 0 | 107 | M25 L29 | M25-I27 PolarHBondContact O-N 3.1Å; I27-L29 PolarHBondContact O-N 3.25Å; I27-L29 VanDerWaalsContact O-N 3.16Å |
| 28 | D | 65.9 | Low | 61.8 | Low | 100 Ų | 100 | 114.9 Ų | 114.9 | 54% | 0.535 | 67% | 0.674 | S | S | . | * | | | trans | -77.9 | 99.2 | 176.9 | -171.8 | 1.4 | 0 | 0 | 0 | 110.3 | A26 T30 | A26-D28 PolarHBondContact O-N 3.05Å; A26-D28 VanDerWaalsContact O-N 3.15Å; D28-T30 PolarHBondContact O-N 3.47Å; D28-T30 VanDerWaalsContact OD1-CB 3.25Å; D28-T30 WeakPolarHBondContact OD1-CB 3.25Å; D28-T30 VanDerWaalsContact OD1-CG2 3.25Å; D28-T30 WeakPolarHBondContact OD1-CG2 3.1Å; D28-T30 PolarHBondContact OD1-N 3.28Å; D28-T30 PolarHBondContact OD1-OG1 3.14Å; D28-T30 PolarHBondContact OD2-OG1 2.97Å |
| 29 | L | 67.3 | Low | 61.8 | Low | 156 Ų | 156 | 115.3 Ų | 115.3 | 82% | 0.817 | 68% | 0.683 | S | S | * | * | G | 310 helix | trans | -72.8 | 1.9 | 177.3 | -67.2 | 168.3 | 0 | 0 | 0 | 113.2 | I27 S31 | I27-L29 PolarHBondContact O-N 3.25Å; I27-L29 VanDerWaalsContact O-N 3.16Å; L29-S31 VanDerWaalsContact C-N 3.33Å |
| 30 | T | 58.5 | Low | 61.7 | Low | 92 Ų | 92 | 113 Ų | 113 | 56% | 0.564 | 68% | 0.684 | S | S | * | * | G | 310 helix | trans | -82.7 | -8.6 | 177.7 | 71.5 | 0 | 0 | 0 | 0 | 113.6 | D28 S32 | D28-T30 PolarHBondContact O-N 3.47Å; D28-T30 VanDerWaalsContact OD1-CB 3.25Å; D28-T30 WeakPolarHBondContact OD1-CB 3.25Å; D28-T30 VanDerWaalsContact OD1-CG2 3.25Å; D28-T30 WeakPolarHBondContact OD1-CG2 3.1Å; D28-T30 PolarHBondContact OD1-N 3.28Å; D28-T30 PolarHBondContact OD1-OG1 3.14Å; D28-T30 PolarHBondContact OD2-OG1 2.97Å; T30-S32 VanDerWaalsContact C-N 3.28Å; T30-S32 PolarHBondContact O-N 2.68Å |
| 31 | S | 54.9 | Low | 61.6 | Low | 96 Ų | 96 | 116.8 Ų | 116.8 | 67% | 0.671 | 70% | 0.697 | S | S | * | * | G | 310 helix | trans | -73.6 | -6.1 | -174.6 | 73.1 | 0 | 0 | 0 | 0 | 115.8 | L29 T33 | L29-S31 VanDerWaalsContact C-N 3.33Å; S31-T33 PolarHBondContact O-N 3.16Å |
| 32 | S | 56.3 | Low | 61.4 | Low | 106 Ų | 106 | 115.1 Ų | 115.1 | 74% | 0.741 | 70% | 0.7 | S | S | * | * | G | 310 helix | trans | -93.2 | 22.4 | -175.6 | -71.6 | 0 | 0 | 0 | 0 | 115.2 | T30 | T30-S32 VanDerWaalsContact C-N 3.28Å; T30-S32 PolarHBondContact O-N 2.68Å |
| 33 | T | 56.3 | Low | 61.4 | Low | 85 Ų | 85 | 118.9 Ų | 118.9 | 52% | 0.521 | 72% | 0.718 | S | S | . | * | S | Bend | trans | -127.6 | 111.3 | 160 | 60 | 0 | 0 | 0 | 0 | 109.3 | S31 N35 | S31-T33 PolarHBondContact O-N 3.16Å; T33-N35 PolarHBondContact O-N 2.98Å |
| 34 | P | 56.4 | Low | 61.3 | Low | 136 Ų | 136 | 122.5 Ų | 122.5 | 88% | 0.883 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.5 | 81.2 | 176.1 | 31.5 | -31.3 | 0 | 0 | 0 | 107 | | |
| 35 | N | 58.6 | Low | 61.5 | Low | 132 Ų | 132 | 120.8 Ų | 120.8 | 71% | 0.706 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 152 | 24.9 | 152 | -141.3 | 44.3 | 0 | 0 | 0 | 113.6 | T33 Q37 | T33-N35 PolarHBondContact O-N 2.98Å; N35-Q37 WeakPolarHBondContact O-CG 3.25Å; N35-Q37 PolarHBondContact O-N 3.46Å |
| 36 | G | 60.3 | Low | 61.1 | Low | 61 Ų | 61 | 119.4 Ų | 119.4 | 63% | 0.629 | 72% | 0.721 | S | S | * | * | | | trans | 56 | 32.9 | 168.8 | 0 | 0 | 0 | 0 | 0 | 115 | H38 | G36-H38 PolarHBondContact O-N 3.31Å; G36-H38 VanDerWaalsContact O-N 3.11Å |
| 37 | Q | 62.3 | Low | 60.7 | Low | 156 Ų | 156 | 120.5 Ų | 120.5 | 73% | 0.729 | 72% | 0.718 | S | S | * | * | | | trans | -87.8 | 80.4 | -178.6 | -65.2 | -172.7 | -54.2 | 0 | 0 | 110.1 | N35 A39 | N35-Q37 WeakPolarHBondContact O-CG 3.25Å; N35-Q37 PolarHBondContact O-N 3.46Å; Q37-A39 PolarHBondContact O-N 3.44Å |
| 38 | H | 64.6 | Low | 60.3 | Low | 177 Ų | 177 | 120.8 Ų | 120.8 | 82% | 0.819 | 72% | 0.721 | S | S | * | * | | | trans | -70.2 | 82.3 | 155.3 | -75.3 | -75.7 | 0 | 0 | 0 | 108.4 | G36 S40 | G36-H38 PolarHBondContact O-N 3.31Å; G36-H38 VanDerWaalsContact O-N 3.11Å; H38-S40 PolarHBondContact O-N 2.79Å |
| 39 | A | 59.6 | Low | 60.2 | Low | 85 Ų | 85 | 121.5 Ų | 121.5 | 70% | 0.702 | 73% | 0.734 | S | S | * | * | | | trans | -86.2 | 95.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | Q37 | Q37-A39 PolarHBondContact O-N 3.44Š|
| 40 | S | 61.1 | Low | 60.4 | Low | 99 Ų | 99 | 119.5 Ų | 119.5 | 69% | 0.692 | 73% | 0.728 | S | S | * | * | | | trans | -52.8 | 130.4 | 163 | -61.1 | 0 | 0 | 0 | 0 | 108.6 | H38 S42 | H38-S40 PolarHBondContact O-N 2.79Å; S40-S42 VanDerWaalsContact C-N 3.27Å; S40-S42 PolarHBondContact O-N 3.03Å |
| 41 | P | 60.1 | Low | 61.3 | Low | 137 Ų | 137 | 124.6 Ų | 124.6 | 89% | 0.89 | 74% | 0.742 | S | S | * | * | | | trans | -68.6 | 84.4 | 178.4 | -19.3 | 32.2 | 0 | 0 | 0 | 110.9 | H43 | P41-H43 PolarHBondContact O-N 3.21Š|
| 42 | S | 56.5 | Low | 62.4 | Low | 101 Ų | 101 | 127.2 Ų | 127.2 | 71% | 0.706 | 75% | 0.748 | S | S | * | * | | | trans | -82.9 | 97.3 | 164.4 | -70.3 | 0 | 0 | 0 | 0 | 107.7 | S40 M44 | S40-S42 VanDerWaalsContact C-N 3.27Å; S40-S42 PolarHBondContact O-N 3.03Å; S42-M44 VanDerWaalsContact C-N 3.32Å; S42-M44 PolarHBondContact O-N 3.11Å |
| 43 | H | 63.6 | Low | 63.4 | Low | 169 Ų | 169 | 130.9 Ų | 130.9 | 78% | 0.782 | 75% | 0.753 | S | S | * | * | | | trans | -58 | 89.2 | 172.5 | -159.2 | -68.8 | 0 | 0 | 0 | 109.5 | P41 | P41-H43 PolarHBondContact O-N 3.21Š|
| 44 | M | 57.6 | Low | 64.4 | Low | 163 Ų | 163 | 135.9 Ų | 135.9 | 80% | 0.803 | 77% | 0.773 | S | S | * | * | | | trans | -112 | 114.7 | 173.3 | -67.8 | -87.3 | 79.1 | 0 | 0 | 108.6 | S42 | S42-M44 VanDerWaalsContact C-N 3.32Å; S42-M44 PolarHBondContact O-N 3.11Å |
| 45 | T | 64.3 | Low | 65.1 | Low | 112 Ų | 112 | 138.1 Ų | 138.1 | 69% | 0.687 | 77% | 0.772 | S | S | * | * | | | trans | -64.7 | 159.4 | 172.8 | 48 | 0 | 0 | 0 | 0 | 110.8 | | |
| 46 | S | 57.7 | Low | 65.6 | Low | 104 Ų | 104 | 135.7 Ų | 135.7 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | | | trans | 83.6 | 133.9 | 164.4 | -146.8 | 0 | 0 | 0 | 0 | 115.3 | | |
| 47 | T | 62.7 | Low | 66 | Low | 115 Ų | 115 | 140.5 Ų | 140.5 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | | | cis | -166 | 134.5 | 0.7 | 9.6 | 0 | 0 | 0 | 0 | 107.1 | S49 | T47-S49 PolarHBondContact O-N 3.46Š|
| 48 | N | 61.3 | Low | 66 | Low | 155 Ų | 155 | 141 Ų | 141 | 83% | 0.829 | 78% | 0.779 | S | S | * | * | | | trans | 18.9 | 93.3 | 160.1 | -157.5 | -7.7 | 0 | 0 | 0 | 117 | | |
| 49 | S | 64 | Low | 66 | Low | 115 Ų | 115 | 141.8 Ų | 141.8 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | | | trans | -91.9 | 108.1 | 174.4 | -51.6 | 0 | 0 | 0 | 0 | 110.2 | T47 K51 | T47-S49 PolarHBondContact O-N 3.46Å; S49-K51 PolarHBondContact O-N 3.03Å |
| 50 | V | 72 | Confident | 66 | Low | 114 Ų | 114 | 141.9 Ų | 141.9 | 69% | 0.691 | 78% | 0.777 | S | S | * | * | | | trans | -68.4 | 124 | 166.8 | 152 | 0 | 0 | 0 | 0 | 108.7 | L52 | V50-L52 HydrophobicContact CG1-CD2 4.08Š|
| 51 | K | 76.8 | Confident | 66 | Low | 198 Ų | 198 | 145.1 Ų | 145.1 | 86% | 0.861 | 79% | 0.787 | S | S | * | * | | | trans | -83.1 | 115.3 | 177.5 | -160.6 | -179.8 | 179.9 | -168.6 | 0 | 108.5 | S49 | S49-K51 PolarHBondContact O-N 3.03Š|
| 52 | L | 78.1 | Confident | 66.2 | Low | 151 Ų | 151 | 149 Ų | 149 | 79% | 0.791 | 78% | 0.784 | S | S | * | * | | | trans | -87.1 | 133.1 | 172.3 | -62.4 | 176.2 | 0 | 0 | 0 | 109.2 | V50 | V50-L52 HydrophobicContact CG1-CD2 4.08Š|
| 53 | E | 78 | Confident | 66.4 | Low | 184 Ų | 184 | 151.8 Ų | 151.8 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | | | trans | -82.4 | 127.2 | 173.5 | -67.6 | -177.7 | 113.7 | 0 | 0 | 109.3 | Q55 | E53-Q55 PolarHBondContact O-N 2.65Š|
| 54 | M | 77.6 | Confident | 66.2 | Low | 189 Ų | 189 | 150 Ų | 150 | 93% | 0.931 | 79% | 0.789 | S | S | * | * | | | trans | -76.2 | 110.2 | 174.1 | -69.1 | -174.9 | 63 | 0 | 0 | 108.3 | | |
| 55 | Q | 71.4 | Confident | 66.2 | Low | 184 Ų | 184 | 149.3 Ų | 149.3 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | | | trans | -82.1 | 119.5 | 166.3 | -59.8 | -164.1 | -82.5 | 0 | 0 | 107.9 | E53 | E53-Q55 PolarHBondContact O-N 2.65Š|
| 56 | S | 68.8 | Low | 65.6 | Low | 81 Ų | 81 | 148.2 Ų | 148.2 | 57% | 0.566 | 79% | 0.785 | S | S | * | * | | | trans | -83 | 120.4 | 169.2 | 44.6 | 0 | 0 | 0 | 0 | 109 | E58 | S56-E58 WeakPolarHBondContact CB-OE2 3.16Å; S56-E58 PolarHBondContact O-N 2.94Å; S56-E58 PolarHBondContact OG-OE2 3.36Å |
| 57 | D | 68.8 | Low | 65.7 | Low | 162 Ų | 162 | 153.2 Ų | 153.2 | 87% | 0.866 | 79% | 0.787 | S | S | * | * | | | trans | -75.7 | 78.4 | 167.4 | -72.6 | -47 | 0 | 0 | 0 | 108.8 | E59 | D57-E59 PolarHBondContact O-N 2.75Å; D57-E59 VanDerWaalsContact O-N 3.16Å |
| 58 | E | 62.2 | Low | 65.4 | Low | 166 Ų | 166 | 156 Ų | 156 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | | | trans | -85.7 | 55.2 | 168.2 | -71 | 160.5 | 103.9 | 0 | 0 | 109.7 | S56 C60 | S56-E58 WeakPolarHBondContact CB-OE2 3.16Å; S56-E58 PolarHBondContact O-N 2.94Å; S56-E58 PolarHBondContact OG-OE2 3.36Å; E58-C60 PolarHBondContact O-N 2.87Å; E58-C60 VanDerWaalsContact O-N 3.14Å |
| 59 | E | 64 | Low | 65.4 | Low | 193 Ų | 193 | 154.2 Ų | 154.2 | 90% | 0.902 | 78% | 0.783 | S | S | * | * | | | trans | -80.2 | 75.7 | 160.2 | -170.9 | -178.2 | 92.7 | 0 | 0 | 108.2 | D57 | D57-E59 PolarHBondContact O-N 2.75Å; D57-E59 VanDerWaalsContact O-N 3.16Å |
| 60 | C | 59.9 | Low | 65 | Low | 87 Ų | 87 | 156.9 Ų | 156.9 | 59% | 0.588 | 78% | 0.783 | S | S | * | * | | | trans | -145.7 | 41.8 | 174.4 | -156.7 | 0 | 0 | 0 | 0 | 113.6 | E58 | E58-C60 PolarHBondContact O-N 2.87Å; E58-C60 VanDerWaalsContact O-N 3.14Å |
| 61 | D | 59.9 | Low | 64.4 | Low | 168 Ų | 168 | 158.7 Ų | 158.7 | 90% | 0.898 | 79% | 0.787 | S | S | * | * | | | trans | -131.9 | 92.2 | 160 | -83.1 | -45.9 | 0 | 0 | 0 | 110.8 | Q63 | D61-Q63 PolarHBondContact O-N 2.87Š|
| 62 | R | 64.8 | Low | 63.5 | Low | 218 Ų | 218 | 161.1 Ų | 161.1 | 82% | 0.823 | 79% | 0.791 | S | S | * | * | | | trans | -71.6 | 106 | 179.1 | -53.1 | 162.2 | -171.8 | -102.3 | -5 | 108.2 | | |
| 63 | Q | 60.6 | Low | 62.5 | Low | 160 Ų | 160 | 157.2 Ų | 157.2 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | | | trans | -138 | 104.9 | 156 | -71.1 | -167.6 | -41.9 | 0 | 0 | 110 | D61 L65 | D61-Q63 PolarHBondContact O-N 2.87Å; Q63-L65 PolarHBondContact O-N 3.15Å; Q63-L65 VanDerWaalsContact O-N 3.1Å |
| 64 | P | 59 | Low | 61.6 | Low | 130 Ų | 130 | 157 Ų | 157 | 84% | 0.844 | 79% | 0.785 | S | S | * | * | | | trans | -70.1 | 101.6 | 155.2 | 27.9 | -27 | 0 | 0 | 0 | 106.7 | S66 | P64-S66 PolarHBondContact O-N 3.16Š|
| 65 | L | 57.7 | Low | 60.5 | Low | 149 Ų | 149 | 154.3 Ų | 154.3 | 78% | 0.78 | 78% | 0.775 | S | S | * | * | | | trans | -61.3 | 131.4 | 167 | -66.5 | 178.1 | 0 | 0 | 0 | 107.7 | Q63 | Q63-L65 PolarHBondContact O-N 3.15Å; Q63-L65 VanDerWaalsContact O-N 3.1Å |
| 66 | S | 53.5 | Low | 60.2 | Low | 90 Ų | 90 | 154.1 Ų | 154.1 | 63% | 0.629 | 77% | 0.774 | S | S | * | * | | | trans | -40.9 | 132.1 | -170.4 | 45.4 | 0 | 0 | 0 | 0 | 113.9 | P64 E68 | P64-S66 PolarHBondContact O-N 3.16Å; S66-E68 PolarHBondContact O-N 3.21Å |
| 67 | R | 58.1 | Low | 59.8 | Low | 208 Ų | 208 | 154 Ų | 154 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | | | trans | -52.3 | 100.6 | 159.3 | 173.3 | 174.4 | 171.4 | 169.8 | -0.4 | 109.4 | D69 | R67-D69 IonicContact CZ-OD2 2.77Å; R67-D69 IonicContact NE-OD2 2.94Å; R67-D69 PolarHBondContact NE-OD2 3.27Å; R67-D69 IonicContact NH2-OD2 2.8Å; R67-D69 PolarHBondContact NH2-OD2 3.07Å; R67-D69 PolarHBondContact O-N 2.94Å |
| 68 | E | 57.5 | Low | 59.4 | Low | 173 Ų | 173 | 151.6 Ų | 151.6 | 81% | 0.808 | 78% | 0.781 | S | S | * | * | | | trans | -81 | 88.7 | 166.1 | -51.4 | -175.4 | 157.4 | 0 | 0 | 107.1 | S66 E70 | S66-E68 PolarHBondContact O-N 3.21Å; E68-E70 VanDerWaalsContact C-N 3.32Å; E68-E70 PolarHBondContact O-N 3.25Å; E68-E70 VanDerWaalsContact O-N 3.14Å |
| 69 | D | 60.2 | Low | 59.7 | Low | 118 Ų | 118 | 149.1 Ų | 149.1 | 63% | 0.631 | 78% | 0.782 | S | S | * | * | | | trans | -75.2 | 85.7 | 166.2 | -111.6 | -33.3 | 0 | 0 | 0 | 108.4 | R67 | R67-D69 IonicContact CZ-OD2 2.77Å; R67-D69 IonicContact NE-OD2 2.94Å; R67-D69 PolarHBondContact NE-OD2 3.27Å; R67-D69 IonicContact NH2-OD2 2.8Å; R67-D69 PolarHBondContact NH2-OD2 3.07Å; R67-D69 PolarHBondContact O-N 2.94Å |
| 70 | E | 56.7 | Low | 59.8 | Low | 172 Ų | 172 | 147.5 Ų | 147.5 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | | | trans | -171.3 | 111.9 | 159.9 | -117.9 | -177.7 | 139 | 0 | 0 | 107.1 | E68 | E68-E70 VanDerWaalsContact C-N 3.32Å; E68-E70 PolarHBondContact O-N 3.25Å; E68-E70 VanDerWaalsContact O-N 3.14Å |
| 71 | I | 58.2 | Low | 60.4 | Low | 151 Ų | 151 | 150.8 Ų | 150.8 | 77% | 0.774 | 79% | 0.785 | S | S | * | * | | | | -166.6 | 139.7 | 51.6 | 38.9 | 168.3 | 0 | 0 | 0 | 109.4 | | |
| 72 | R | 58.8 | Low | 61.1 | Low | 250 Ų | 250 | 151.1 Ų | 151.1 | 94% | 0.943 | 78% | 0.782 | S | S | * | * | | | trans | -51.2 | 135.2 | 161.1 | -102.3 | 151 | 45.5 | -145.4 | -4.3 | 111.2 | | |
| 73 | G | 57.4 | Low | 61.4 | Low | 68 Ų | 68 | 146.4 Ų | 146.4 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | | | trans | 155.2 | 107.1 | 149.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 74 | H | 58.3 | Low | 61.7 | Low | 179 Ų | 179 | 146.3 Ų | 146.3 | 83% | 0.829 | 78% | 0.783 | S | S | * | * | | | trans | 63.4 | 109.3 | 139.5 | -141.8 | -77.3 | 0 | 0 | 0 | 115.1 | | |
| 75 | D | 55.1 | Low | 62 | Low | 134 Ų | 134 | 147.9 Ų | 147.9 | 72% | 0.717 | 78% | 0.782 | S | S | * | * | | | | -168 | 146.2 | 69.3 | -164.5 | 18.8 | 0 | 0 | 0 | 109.6 | | |
| 76 | E | 63.9 | Low | 62.3 | Low | 180 Ų | 180 | 149.3 Ų | 149.3 | 84% | 0.841 | 79% | 0.785 | S | S | * | * | | | trans | -72 | 135.2 | 179.9 | -62.5 | 176.8 | 153.1 | 0 | 0 | 109.9 | | |
| 77 | G | 62 | Low | 62.7 | Low | 77 Ų | 77 | 150.6 Ų | 150.6 | 79% | 0.794 | 79% | 0.794 | S | S | * | * | | | trans | 74.5 | 100.4 | 147.8 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 78 | S | 60.1 | Low | 62.8 | Low | 112 Ų | 112 | 145.6 Ų | 145.6 | 78% | 0.783 | 79% | 0.791 | S | S | * | * | | | trans | -117.2 | 86.2 | 138.1 | -164 | 0 | 0 | 0 | 0 | 108.4 | L80 | S78-L80 PolarHBondContact O-N 2.99Š|
| 79 | S | 67.4 | Low | 62.9 | Low | 114 Ų | 114 | 146 Ų | 146 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | | | trans | -79.4 | 101 | 166.6 | 179.3 | 0 | 0 | 0 | 0 | 107 | E81 | S79-E81 VanDerWaalsContact C-N 3.33Å; S79-E81 PolarHBondContact O-N 3.21Å |
| 80 | L | 66.8 | Low | 62.9 | Low | 159 Ų | 159 | 145.8 Ų | 145.8 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | | | trans | -80 | 93 | 163.1 | -70.4 | 173.9 | 0 | 0 | 0 | 107 | S78 | S78-L80 PolarHBondContact O-N 2.99Š|
| 81 | E | 73.5 | Confident | 62.9 | Low | 156 Ų | 156 | 141.5 Ų | 141.5 | 73% | 0.729 | 79% | 0.789 | S | S | * | * | | | trans | -4.6 | 124.2 | 154.2 | 173 | -174.5 | 150.3 | 0 | 0 | 116.1 | S79 | S79-E81 VanDerWaalsContact C-N 3.33Å; S79-E81 PolarHBondContact O-N 3.21Å |
| 82 | E | 74.3 | Confident | 62.5 | Low | 176 Ų | 176 | 139.2 Ų | 139.2 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | | | trans | -71.4 | 127.9 | 162.6 | -65.9 | -173.8 | 160.6 | 0 | 0 | 109.3 | L84 | E82-L84 PolarHBondContact O-N 2.75Š|
| 83 | P | 70.9 | Confident | 62.6 | Low | 119 Ų | 119 | 133.9 Ų | 133.9 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | | | trans | -61.1 | 129.6 | 172.3 | -21.2 | 32 | 0 | 0 | 0 | 111.1 | I85 | P83-I85 PolarHBondContact O-N 3.13Š|
| 84 | L | 66 | Low | 62.9 | Low | 157 Ų | 157 | 140.8 Ų | 140.8 | 82% | 0.822 | 77% | 0.774 | S | S | * | * | | | trans | -45.4 | 127.4 | -175.1 | -61.7 | 159.3 | 0 | 0 | 0 | 112.9 | E82 E86 | E82-L84 PolarHBondContact O-N 2.75Å; L84-E86 PolarHBondContact O-N 2.59Å |
| 85 | I | 65.4 | Low | 62.7 | Low | 163 Ų | 163 | 140.9 Ų | 140.9 | 84% | 0.836 | 77% | 0.772 | S | S | * | * | | | trans | -57.5 | 105.4 | 165.9 | -62.8 | 165.5 | 0 | 0 | 0 | 107.6 | P83 S87 | P83-I85 PolarHBondContact O-N 3.13Å; I85-S87 PolarHBondContact O-N 2.79Å |
| 86 | E | 63.7 | Low | 63 | Low | 180 Ų | 180 | 140.7 Ų | 140.7 | 84% | 0.841 | 78% | 0.775 | S | S | * | * | | | trans | -72.1 | 95.6 | 172.3 | -172.6 | 174.6 | -165.6 | 0 | 0 | 108.8 | L84 S88 | L84-E86 PolarHBondContact O-N 2.59Å; E86-S88 PolarHBondContact O-N 3.15Å |
| 87 | S | 62.5 | Low | 62.6 | Low | 117 Ų | 117 | 140.9 Ų | 140.9 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | | | trans | -74.6 | 102.7 | 173.2 | -171.6 | 0 | 0 | 0 | 0 | 109.9 | I85 | I85-S87 PolarHBondContact O-N 2.79Š|
| 88 | S | 61.1 | Low | 61.9 | Low | 102 Ų | 102 | 144.3 Ų | 144.3 | 71% | 0.713 | 78% | 0.777 | S | S | * | * | | | trans | -129.2 | 134.6 | 153.4 | 66.7 | 0 | 0 | 0 | 0 | 105.8 | E86 | E86-S88 PolarHBondContact O-N 3.15Š|
| 89 | E | 58.7 | Low | 61.3 | Low | 183 Ų | 183 | 150.8 Ų | 150.8 | 86% | 0.855 | 80% | 0.801 | S | S | * | * | | | cis | -153.9 | 153.6 | 19.1 | 175.3 | 166.2 | 85.6 | 0 | 0 | 106 | A91 | E89-A91 PolarHBondContact O-N 2.85Š|
| 90 | V | 60.4 | Low | 61 | Low | 112 Ų | 112 | 152.6 Ų | 152.6 | 68% | 0.679 | 80% | 0.801 | S | S | * | * | | | trans | -54.1 | 128.3 | -170.4 | -46.4 | 0 | 0 | 0 | 0 | 111.5 | D92 | V90-D92 HydrophobicContact CG2-CB 4.36Å; V90-D92 PolarHBondContact O-N 2.81Å |
| 91 | A | 55.7 | Low | 60.7 | Low | 82 Ų | 82 | 152.3 Ų | 152.3 | 68% | 0.678 | 80% | 0.799 | S | S | * | * | | | trans | -63.2 | 78.8 | 162.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | E89 N93 | E89-A91 PolarHBondContact O-N 2.85Å; A91-N93 WeakPolarHBondContact CB-ND2 2.99Å; A91-N93 PolarHBondContact O-N 2.79Å |
| 92 | D | 51.3 | Low | 60 | Low | 103 Ų | 103 | 152.1 Ų | 152.1 | 55% | 0.551 | 80% | 0.803 | S | S | * | * | | | trans | -76.1 | 57 | 165.9 | -114.5 | -68.9 | 0 | 0 | 0 | 109.3 | V90 R94 | V90-D92 HydrophobicContact CG2-CB 4.36Å; V90-D92 PolarHBondContact O-N 2.81Å; D92-R94 PolarHBondContact O-N 2.92Å; D92-R94 IonicContact OD1-CZ 3.36Å; D92-R94 IonicContact OD1-NE 3.19Å; D92-R94 PolarHBondContact OD1-NE 2.96Å; D92-R94 IonicContact OD1-NH2 2.93Å; D92-R94 PolarHBondContact OD1-NH2 2.88Å |
| 93 | N | 60.4 | Low | 59.2 | Low | 139 Ų | 139 | 150.6 Ų | 150.6 | 74% | 0.743 | 80% | 0.802 | S | S | * | * | | | trans | -78.2 | 64.7 | 163.7 | -65.7 | -74 | 0 | 0 | 0 | 108.6 | A91 K95 | A91-N93 WeakPolarHBondContact CB-ND2 2.99Å; A91-N93 PolarHBondContact O-N 2.79Å; N93-K95 PolarHBondContact O-N 2.92Å |
| 94 | R | 62.9 | Low | 58.4 | Low | 212 Ų | 212 | 152.6 Ų | 152.6 | 80% | 0.8 | 80% | 0.804 | S | S | * | * | | | trans | -77.9 | 73 | 163.7 | -84.1 | -176.5 | -77.1 | -178.9 | -3.9 | 109.1 | D92 V96 | D92-R94 PolarHBondContact O-N 2.92Å; D92-R94 IonicContact OD1-CZ 3.36Å; D92-R94 IonicContact OD1-NE 3.19Å; D92-R94 PolarHBondContact OD1-NE 2.96Å; D92-R94 IonicContact OD1-NH2 2.93Å; D92-R94 PolarHBondContact OD1-NH2 2.88Å; R94-V96 PolarHBondContact O-N 2.71Å |
| 95 | K | 55.2 | Low | 57.9 | Low | 182 Ų | 182 | 152.3 Ų | 152.3 | 79% | 0.791 | 80% | 0.803 | S | S | * | * | | | trans | -72.6 | 115.7 | 162.8 | -164.4 | 147.7 | 87.2 | -175.2 | 0 | 107.4 | N93 Q97 | N93-K95 PolarHBondContact O-N 2.92Å; K95-Q97 PolarHBondContact O-N 3.26Å |
| 96 | V | 61 | Low | 57.4 | Low | 129 Ų | 129 | 151.6 Ų | 151.6 | 78% | 0.782 | 80% | 0.8 | S | S | * | * | | | trans | -6.1 | 116.1 | 157.1 | -69.7 | 0 | 0 | 0 | 0 | 115.3 | R94 | R94-V96 PolarHBondContact O-N 2.71Š|
| 97 | Q | 55 | Low | 56.9 | Low | 185 Ų | 185 | 149.4 Ų | 149.4 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | | | trans | -136.6 | 115 | 151.5 | -88.2 | -170.6 | -17.6 | 0 | 0 | 109.2 | K95 | K95-Q97 PolarHBondContact O-N 3.26Š|
| 98 | D | 48.2 | Very low | 56.4 | Low | 149 Ų | 149 | 152.1 Ų | 152.1 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | | | trans | -2.3 | 122.1 | 157.3 | -58.8 | -91.3 | 0 | 0 | 0 | 118.2 | | |
| 99 | L | 47.4 | Very low | 56 | Low | 247 Ų | 247 | 156.6 Ų | 156.6 | 100% | 1.293 | 80% | 0.803 | S | S | * | * | | | | -161.4 | 0 | 118.7 | -127.8 | 76.4 | 0 | 0 | 0 | 111.3 | | |