| 1 | M | 34.7 | Very low | 41.7 | Very low | 245 Ų | 245 | 124.6 Ų | 124.6 | 100% | 1.207 | 80% | 0.798 | S | S | * | * | | | | 0 | 134.6 | 0 | -73.3 | 178.6 | 176.4 | 0 | 0 | 107.4 | | |
| 2 | D | 39.9 | Very low | 41.9 | Very low | 147 Ų | 147 | 124.8 Ų | 124.8 | 79% | 0.786 | 79% | 0.788 | S | S | * | * | | | trans | -44.6 | 149.7 | -165.6 | -63.2 | -104.8 | 0 | 0 | 0 | 118.8 | | |
| 3 | S | 34.2 | Very low | 42.5 | Very low | 123 Ų | 123 | 120.9 Ų | 120.9 | 86% | 0.86 | 77% | 0.766 | S | S | * | * | | | trans | -157.4 | 87.1 | 136 | -81.1 | 0 | 0 | 0 | 0 | 111 | | |
| 4 | S | 43 | Very low | 42.6 | Very low | 109 Ų | 109 | 119.6 Ų | 119.6 | 76% | 0.762 | 76% | 0.756 | S | S | * | * | | | | 47.8 | 112.4 | 129.1 | -49.3 | 0 | 0 | 0 | 0 | 121 | | |
| 5 | A | 49.5 | Very low | 43 | Very low | 102 Ų | 102 | 120.6 Ų | 120.6 | 84% | 0.843 | 75% | 0.754 | S | S | * | * | | | trans | -15.1 | 123.1 | 142.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 6 | A | 42.1 | Very low | 42.9 | Very low | 71 Ų | 71 | 118.2 Ų | 118.2 | 59% | 0.587 | 75% | 0.749 | S | S | * | * | | | | 175.1 | 121.5 | 109 | 0 | 0 | 0 | 0 | 0 | 108.3 | T8 | A6-T8 PolarHBondContact O-N 2.95Š|
| 7 | P | 39.1 | Very low | 43.1 | Very low | 132 Ų | 132 | 119.4 Ų | 119.4 | 86% | 0.857 | 75% | 0.748 | S | S | * | * | | | trans | -66 | 97.3 | 148.1 | 4.5 | 11.9 | 0 | 0 | 0 | 105.3 | N9 | P7-N9 PolarHBondContact O-N 2.95Š|
| 8 | T | 45.1 | Very low | 43.2 | Very low | 130 Ų | 130 | 117.4 Ų | 117.4 | 80% | 0.798 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -48.8 | 129.9 | 163.9 | 27.6 | 0 | 0 | 0 | 0 | 108.6 | A6 | A6-T8 PolarHBondContact O-N 2.95Š|
| 9 | N | 40 | Very low | 43.1 | Very low | 126 Ų | 126 | 123.2 Ų | 123.2 | 67% | 0.674 | 75% | 0.752 | S | S | * | * | | | trans | 92.9 | 54.5 | 163.4 | -148.2 | 13.7 | 0 | 0 | 0 | 118.6 | P7 S11 | P7-N9 PolarHBondContact O-N 2.95Å; N9-S11 PolarHBondContact OD1-OG 3.13Å |
| 10 | A | 42.7 | Very low | 43.4 | Very low | 85 Ų | 85 | 121.6 Ų | 121.6 | 70% | 0.702 | 75% | 0.747 | S | S | * | * | | | trans | -84.5 | 15 | 153.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | N12 | A10-N12 PolarHBondContact O-N 2.67Å; A10-N12 VanDerWaalsContact O-N 3.13Å |
| 11 | S | 48.6 | Very low | 43.5 | Very low | 101 Ų | 101 | 120.8 Ų | 120.8 | 71% | 0.706 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.9 | 12.2 | -175.8 | 10.9 | 0 | 0 | 0 | 0 | 114.4 | N9 | N9-S11 PolarHBondContact OD1-OG 3.13Š|
| 12 | N | 43.7 | Very low | 44.3 | Very low | 126 Ų | 126 | 112.1 Ų | 112.1 | 67% | 0.674 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.5 | 29.8 | 177 | -145.8 | -52.3 | 0 | 0 | 0 | 113.2 | A10 T14 | A10-N12 PolarHBondContact O-N 2.67Å; A10-N12 VanDerWaalsContact O-N 3.13Å; N12-T14 PolarHBondContact O-N 3.41Å; N12-T14 PolarHBondContact OD1-OG1 2.68Å |
| 13 | C | 49.6 | Very low | 44.7 | Very low | 75 Ų | 75 | 110.1 Ų | 110.1 | 51% | 0.507 | 71% | 0.707 | S | S | . | * | | | trans | -74 | 76.7 | 148.8 | -49.6 | 0 | 0 | 0 | 0 | 104.8 | D15 C45 | C13-D15 PolarHBondContact O-N 2.85Å; C13-C45 HydrophobicContact CB-CB 4.47Å; C13-C45 WeakPolarHBondContact CB-SG 3.35Å; C13-C45 WeakPolarHBondContact SG-CB 3.29Å; C13-C45 CovalentContact SG-SG 2.09Å; C13-C45 PolarHBondContact SG-SG 2.92Å |
| 14 | T | 43.9 | Very low | 45.4 | Very low | 102 Ų | 102 | 109.7 Ų | 109.7 | 63% | 0.626 | 70% | 0.7 | S | S | * | * | | | trans | -55.2 | 114.2 | 171.7 | -57.6 | 0 | 0 | 0 | 0 | 105.4 | N12 A16 | N12-T14 PolarHBondContact O-N 3.41Å; N12-T14 PolarHBondContact OD1-OG1 2.68Å; T14-A16 PolarHBondContact O-N 2.69Å |
| 15 | D | 49.1 | Very low | 45.7 | Very low | 135 Ų | 135 | 107.2 Ų | 107.2 | 72% | 0.722 | 69% | 0.687 | S | S | * | * | | | trans | -64.9 | 72.3 | 170.6 | -170 | -104.7 | 0 | 0 | 0 | 106.8 | C13 L17 | C13-D15 PolarHBondContact O-N 2.85Å; D15-L17 PolarHBondContact O-N 2.92Å |
| 16 | A | 41.7 | Very low | 45.7 | Very low | 82 Ų | 82 | 106.6 Ų | 106.6 | 68% | 0.678 | 67% | 0.674 | S | S | * | * | | | trans | -69.7 | 87.3 | 163.3 | 0 | 0 | 0 | 0 | 0 | 103.4 | T14 A18 | T14-A16 PolarHBondContact O-N 2.69Å; A16-A18 PolarHBondContact O-N 2.98Å |
| 17 | L | 45.5 | Very low | 45.9 | Very low | 139 Ų | 139 | 107.1 Ų | 107.1 | 73% | 0.728 | 67% | 0.673 | S | S | * | * | | | trans | -11.3 | 103.4 | 165.1 | -76.9 | 166.7 | 0 | 0 | 0 | 108.8 | D15 Y19 | D15-L17 PolarHBondContact O-N 2.92Å; L17-Y19 VanDerWaalsContact C-N 3.26Å; L17-Y19 PolarHBondContact O-N 2.09Å |
| 18 | A | 45.2 | Very low | 46.5 | Very low | 83 Ų | 83 | 107 Ų | 107 | 69% | 0.686 | 67% | 0.673 | S | S | * | * | | | trans | -43.8 | 98.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | A16 S20 | A16-A18 PolarHBondContact O-N 2.98Å; A18-S20 PolarHBondContact O-N 3.16Å; A18-S20 PolarHBondContact O-OG 2.97Å |
| 19 | Y | 41 | Very low | 46.8 | Very low | 227 Ų | 227 | 103.7 Ų | 103.7 | 89% | 0.89 | 67% | 0.665 | S | S | * | * | | | trans | -64.3 | 91.1 | 153.7 | -103.7 | -91.1 | 0 | 0 | 0 | 101.9 | L17 S21 | L17-Y19 VanDerWaalsContact C-N 3.26Å; L17-Y19 PolarHBondContact O-N 2.09Å; Y19-S21 PolarHBondContact O-N 3.08Å |
| 20 | S | 49.3 | Very low | 47.3 | Very low | 92 Ų | 92 | 101.7 Ų | 101.7 | 64% | 0.643 | 66% | 0.66 | S | S | * | * | | | trans | -62.9 | 66.9 | 169.8 | -53.3 | 0 | 0 | 0 | 0 | 107.1 | A18 C22 | A18-S20 PolarHBondContact O-N 3.16Å; A18-S20 PolarHBondContact O-OG 2.97Å; S20-C22 PolarHBondContact O-N 3.48Å |
| 21 | S | 46.3 | Very low | 47.7 | Very low | 104 Ų | 104 | 106.2 Ų | 106.2 | 73% | 0.727 | 66% | 0.659 | S | S | * | * | | | trans | -74.5 | 90 | 166.5 | -166 | 0 | 0 | 0 | 0 | 103.3 | Y19 S23 | Y19-S21 PolarHBondContact O-N 3.08Å; S21-S23 PolarHBondContact O-N 3.04Å |
| 22 | C | 50.8 | Low | 47.8 | Very low | 63 Ų | 63 | 107.3 Ų | 107.3 | 43% | 0.426 | 66% | 0.662 | S | S | . | * | | | trans | -48.3 | 108.7 | 174.1 | -53.7 | 0 | 0 | 0 | 0 | 106.4 | S20 P24 C59 | S20-C22 PolarHBondContact O-N 3.48Å; C22-P24 WeakPolarHBondContact O-CD 3.5Å; C22-C59 HydrophobicContact CB-CB 4.1Å; C22-C59 WeakPolarHBondContact CB-SG 3.38Å; C22-C59 VanDerWaalsContact SG-CA 3.52Å; C22-C59 WeakPolarHBondContact SG-CB 3.1Å; C22-C59 CovalentContact SG-SG 2.05Å; C22-C59 PolarHBondContact SG-SG 3.02Å |
| 23 | S | 48.4 | Very low | 48 | Very low | 106 Ų | 106 | 107.4 Ų | 107.4 | 74% | 0.741 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 125.2 | -177.7 | -160.1 | 0 | 0 | 0 | 0 | 106.6 | S21 A25 | S21-S23 PolarHBondContact O-N 3.04Å; S23-A25 PolarHBondContact O-N 3Å |
| 24 | P | 48.4 | Very low | 48 | Very low | 113 Ų | 113 | 110 Ų | 110 | 73% | 0.734 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 134.8 | 178.8 | -23.7 | 32.1 | 0 | 0 | 0 | 108.8 | C22 | C22-P24 WeakPolarHBondContact O-CD 3.5Š|
| 25 | A | 48.9 | Very low | 48.3 | Very low | 57 Ų | 57 | 110.1 Ų | 110.1 | 47% | 0.471 | 68% | 0.675 | S | S | . | * | P | Polyproline II helix | trans | -46.7 | 134 | 176.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | S23 S27 T62 | S23-A25 PolarHBondContact O-N 3Å; A25-S27 PolarHBondContact O-N 2.67Å; A25-T62 HydrophobicContact CB-CG2 3.83Å |
| 26 | P | 50.4 | Low | 48.6 | Very low | 90 Ų | 90 | 111.5 Ų | 111.5 | 58% | 0.584 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 122.1 | 177.5 | 19.9 | -29.5 | 0 | 0 | 0 | 107.9 | | |
| 27 | S | 47.1 | Very low | 49.2 | Very low | 81 Ų | 81 | 114.9 Ų | 114.9 | 57% | 0.566 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 143.9 | -176.5 | -51.6 | 0 | 0 | 0 | 0 | 109.1 | A25 G29 S30 | A25-S27 PolarHBondContact O-N 2.67Å; S27-G29 PolarHBondContact O-N 3.36Å; S27-S30 WeakPolarHBondContact O-CB 3.48Å; S27-S30 PolarHBondContact O-N 2.78Å |
| 28 | P | 51 | Low | 49.3 | Very low | 130 Ų | 130 | 114 Ų | 114 | 84% | 0.844 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54 | -19.5 | -175.8 | -25.9 | 32.2 | 0 | 0 | 0 | 114.9 | | |
| 29 | G | 50.9 | Low | 49.9 | Very low | 61 Ų | 61 | 113.6 Ų | 113.6 | 63% | 0.629 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.9 | -1.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | S27 | S27-G29 PolarHBondContact O-N 3.36Š|
| 30 | S | 50.7 | Low | 50.4 | Low | 83 Ų | 83 | 108.9 Ų | 108.9 | 58% | 0.58 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | 1.3 | -175.5 | -173.4 | 0 | 0 | 0 | 0 | 114.1 | S27 V32 | S27-S30 WeakPolarHBondContact O-CB 3.48Å; S27-S30 PolarHBondContact O-N 2.78Å; S30-V32 PolarHBondContact O-N 2.83Å |
| 31 | W | 50.8 | Low | 50.6 | Low | 181 Ų | 181 | 112.4 Ų | 112.4 | 69% | 0.686 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.3 | 4.6 | -179.4 | -63.1 | 76 | 0 | 0 | 0 | 113.3 | N33 | W31-N33 PolarHBondContact O-N 2.76Š|
| 32 | V | 51.1 | Low | 50.8 | Low | 124 Ų | 124 | 113.2 Ų | 113.2 | 75% | 0.752 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -90.2 | 108.9 | 176.2 | -63.3 | 0 | 0 | 0 | 0 | 109 | S30 | S30-V32 PolarHBondContact O-N 2.83Š|
| 33 | N | 47 | Very low | 50.9 | Low | 128 Ų | 128 | 115.6 Ų | 115.6 | 68% | 0.684 | 70% | 0.698 | S | S | * | * | | | trans | 99.3 | 61.2 | 166.4 | -146 | -7.7 | 0 | 0 | 0 | 117.1 | W31 S35 | W31-N33 PolarHBondContact O-N 2.76Å; N33-S35 PolarHBondContact O-N 3.14Å; N33-S35 VanDerWaalsContact OD1-CB 3.26Å; N33-S35 WeakPolarHBondContact OD1-CB 3.37Å; N33-S35 PolarHBondContact OD1-OG 3.4Å |
| 34 | L | 51.4 | Low | 51.1 | Low | 129 Ų | 129 | 116.4 Ų | 116.4 | 68% | 0.675 | 70% | 0.701 | S | S | * | * | G | 310 helix | trans | -74.7 | 14.4 | 165.4 | -68.8 | 164.1 | 0 | 0 | 0 | 113.6 | H36 | L34-H36 PolarHBondContact O-N 3.03Š|
| 35 | S | 50.4 | Low | 51.5 | Low | 105 Ų | 105 | 114.4 Ų | 114.4 | 73% | 0.734 | 69% | 0.689 | S | S | * | * | G | 310 helix | trans | -75.3 | -4.7 | -174.8 | -36 | 0 | 0 | 0 | 0 | 113.8 | N33 | N33-S35 PolarHBondContact O-N 3.14Å; N33-S35 VanDerWaalsContact OD1-CB 3.26Å; N33-S35 WeakPolarHBondContact OD1-CB 3.37Å; N33-S35 PolarHBondContact OD1-OG 3.4Å |
| 36 | H | 55 | Low | 51.5 | Low | 163 Ų | 163 | 113.7 Ų | 113.7 | 76% | 0.755 | 69% | 0.687 | S | S | * | * | G | 310 helix | trans | -127 | 41.7 | -177 | -157.9 | -89.2 | 0 | 0 | 0 | 111.8 | L34 D38 | L34-H36 PolarHBondContact O-N 3.03Å; H36-D38 PolarHBondContact O-N 3.33Å; H36-D38 VanDerWaalsContact O-N 3.08Å |
| 37 | L | 53.2 | Low | 51.8 | Low | 153 Ų | 153 | 116 Ų | 116 | 80% | 0.801 | 70% | 0.702 | S | S | * | * | | | trans | -80.1 | 63.5 | 160 | -140.8 | 82.2 | 0 | 0 | 0 | 107.9 | G39 | L37-G39 PolarHBondContact O-N 2.82Š|
| 38 | D | 48.2 | Very low | 51.9 | Low | 120 Ų | 120 | 119 Ų | 119 | 64% | 0.642 | 71% | 0.712 | S | S | * | * | | | trans | -69.3 | 83.8 | 168.8 | -166.4 | 94.9 | 0 | 0 | 0 | 107.4 | H36 N40 | H36-D38 PolarHBondContact O-N 3.33Å; H36-D38 VanDerWaalsContact O-N 3.08Å; D38-N40 PolarHBondContact O-N 2.83Å |
| 39 | G | 57.3 | Low | 51.8 | Low | 75 Ų | 75 | 123 Ų | 123 | 77% | 0.773 | 71% | 0.71 | S | S | * | * | | | trans | -80 | 61.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111 | L37 | L37-G39 PolarHBondContact O-N 2.82Š|
| 40 | N | 51.3 | Low | 51.7 | Low | 129 Ų | 129 | 125.6 Ų | 125.6 | 69% | 0.69 | 71% | 0.714 | S | S | * | * | | | trans | -114.4 | 20.9 | 174.6 | -143.7 | -76.7 | 0 | 0 | 0 | 114.2 | D38 | D38-N40 PolarHBondContact O-N 2.83Š|
| 41 | L | 55 | Low | 51.2 | Low | 166 Ų | 166 | 126.5 Ų | 126.5 | 87% | 0.869 | 71% | 0.712 | S | S | * | * | | | trans | -115.6 | 89.1 | 164.3 | -90.1 | 81.4 | 0 | 0 | 0 | 109.2 | D43 | L41-D43 VanDerWaalsContact C-N 3.31Å; L41-D43 PolarHBondContact O-N 3.22Å |
| 42 | S | 48.7 | Very low | 51.1 | Low | 121 Ų | 121 | 126 Ų | 126 | 85% | 0.846 | 72% | 0.722 | S | S | * | * | | | trans | -64.8 | 93.9 | 163.5 | -57.4 | 0 | 0 | 0 | 0 | 108.1 | P44 | S42-P44 WeakPolarHBondContact O-CD 3.26Š|
| 43 | D | 54.2 | Low | 50.5 | Low | 112 Ų | 112 | 122 Ų | 122 | 60% | 0.599 | 71% | 0.706 | S | S | * | * | | | trans | -64.6 | 124.4 | 172.7 | -155 | -35.8 | 0 | 0 | 0 | 108.7 | L41 C45 G46 | L41-D43 VanDerWaalsContact C-N 3.31Å; L41-D43 PolarHBondContact O-N 3.22Å; D43-C45 PolarHBondContact O-N 3.48Å; D43-C45 VanDerWaalsContact O-N 3.16Å; D43-C45 PolarHBondContact OD1-N 3.2Å; D43-G46 PolarHBondContact O-N 2.71Å; D43-G46 VanDerWaalsContact O-N 3.14Å |
| 44 | P | 51.3 | Low | 50.6 | Low | 124 Ų | 124 | 119.9 Ų | 119.9 | 81% | 0.805 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -63.7 | -15.8 | -179.5 | 24.3 | -34.7 | 0 | 0 | 0 | 113.6 | S42 G46 | S42-P44 WeakPolarHBondContact O-CD 3.26Å; P44-G46 VanDerWaalsContact C-N 3.29Å; P44-G46 PolarHBondContact O-N 2.05Å |
| 45 | C | 57.1 | Low | 50.4 | Low | 71 Ų | 71 | 123.3 Ų | 123.3 | 48% | 0.48 | 72% | 0.718 | S | S | . | * | S | Bend | trans | -93.6 | 54.4 | 167 | -46.3 | 0 | 0 | 0 | 0 | 109.6 | C13 D43 | C13-C45 HydrophobicContact CB-CB 4.47Å; C13-C45 WeakPolarHBondContact CB-SG 3.35Å; C13-C45 WeakPolarHBondContact SG-CB 3.29Å; C13-C45 CovalentContact SG-SG 2.09Å; C13-C45 PolarHBondContact SG-SG 2.92Å; D43-C45 PolarHBondContact O-N 3.48Å; D43-C45 VanDerWaalsContact O-N 3.16Å; D43-C45 PolarHBondContact OD1-N 3.2Å |
| 46 | G | 50.4 | Low | 50.2 | Low | 42 Ų | 42 | 125.3 Ų | 125.3 | 43% | 0.433 | 72% | 0.72 | S | S | . | * | | | trans | -65 | 154.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | D43 P44 N48 | D43-G46 PolarHBondContact O-N 2.71Å; D43-G46 VanDerWaalsContact O-N 3.14Å; P44-G46 VanDerWaalsContact C-N 3.29Å; P44-G46 PolarHBondContact O-N 2.05Å; G46-N48 PolarHBondContact O-N 2.96Å |
| 47 | P | 56.3 | Low | 50 | Low | 138 Ų | 138 | 122.5 Ų | 122.5 | 90% | 0.896 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -73.9 | 33.2 | -174.4 | 32.3 | -36.4 | 0 | 0 | 0 | 113.7 | R49 | P47-R49 PolarHBondContact O-N 3.28Š|
| 48 | N | 48.8 | Very low | 49.9 | Very low | 144 Ų | 144 | 123.1 Ų | 123.1 | 77% | 0.77 | 72% | 0.722 | S | S | * | * | | | trans | -81.2 | 65.1 | 174.2 | -160.7 | -1.9 | 0 | 0 | 0 | 110.4 | G46 | G46-N48 PolarHBondContact O-N 2.96Š|
| 49 | R | 48.2 | Very low | 49.9 | Very low | 215 Ų | 215 | 119.5 Ų | 119.5 | 81% | 0.811 | 71% | 0.706 | S | S | * | * | | | trans | -117.3 | 103.2 | 151.9 | -78 | -167.1 | 166 | 156.9 | -0.6 | 107.6 | P47 D51 | P47-R49 PolarHBondContact O-N 3.28Å; R49-D51 PolarHBondContact O-N 2.85Å |
| 50 | T | 48.9 | Very low | 49.8 | Very low | 115 Ų | 115 | 120.6 Ų | 120.6 | 71% | 0.706 | 70% | 0.699 | S | S | * | * | | | trans | -38.7 | 105.5 | 154.1 | -46.4 | 0 | 0 | 0 | 0 | 109.5 | L52 | T50-L52 HydrophobicContact CG2-CD1 4.12Š|
| 51 | D | 41.7 | Very low | 49.8 | Very low | 101 Ų | 101 | 119.6 Ų | 119.6 | 54% | 0.54 | 70% | 0.7 | S | S | . | * | | | trans | -109.8 | 73.1 | 168.4 | -124.7 | -63.2 | 0 | 0 | 0 | 109.2 | R49 G53 | R49-D51 PolarHBondContact O-N 2.85Å; D51-G53 PolarHBondContact O-N 3.12Å; D51-G53 WeakPolarHBondContact OD1-CA 3.14Å |
| 52 | L | 46.7 | Very low | 50 | Low | 172 Ų | 172 | 116.3 Ų | 116.3 | 90% | 0.901 | 69% | 0.687 | S | S | * | * | | | trans | -60.8 | 78.8 | 140.9 | -96.1 | 141.8 | 0 | 0 | 0 | 107 | T50 | T50-L52 HydrophobicContact CG2-CD1 4.12Š|
| 53 | G | 39.3 | Very low | 50.1 | Low | 40 Ų | 40 | 111.9 Ų | 111.9 | 41% | 0.412 | 66% | 0.66 | S | S | . | * | S | Bend | trans | 173.7 | 107.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | D51 R55 | D51-G53 PolarHBondContact O-N 3.12Å; D51-G53 WeakPolarHBondContact OD1-CA 3.14Å; G53-R55 PolarHBondContact O-N 2.73Å |
| 54 | G | 49.8 | Very low | 49.9 | Very low | 83 Ų | 83 | 109.9 Ų | 109.9 | 86% | 0.856 | 66% | 0.655 | S | S | * | * | | | trans | -57.4 | 104.8 | 163.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 55 | R | 45.9 | Very low | 50.2 | Low | 201 Ų | 201 | 108.8 Ų | 108.8 | 76% | 0.758 | 65% | 0.648 | S | S | * | * | | | trans | -108 | 93.6 | 158.3 | -76.7 | 167.5 | 80.9 | 174.1 | 4.3 | 105.7 | G53 S57 | G53-R55 PolarHBondContact O-N 2.73Å; R55-S57 PolarHBondContact O-N 2.92Å |
| 56 | D | 47.3 | Very low | 50.2 | Low | 147 Ų | 147 | 110 Ų | 110 | 79% | 0.786 | 66% | 0.657 | S | S | * | * | | | trans | 1.2 | 88.7 | 158.5 | -50.5 | -38.9 | 0 | 0 | 0 | 112.2 | L58 | D56-L58 PolarHBondContact O-N 2.71Š|
| 57 | S | 50.6 | Low | 50.7 | Low | 103 Ų | 103 | 113 Ų | 113 | 72% | 0.72 | 66% | 0.661 | S | S | * | * | | | trans | -61.5 | 88.2 | 178.5 | -38.2 | 0 | 0 | 0 | 0 | 108 | R55 C59 | R55-S57 PolarHBondContact O-N 2.92Å; S57-C59 CarbonylContact C-O 3.52Å; S57-C59 CarbonylContact O-C 3.48Å; S57-C59 PolarHBondContact O-N 2.77Å; S57-C59 VanDerWaalsContact O-N 3.12Å |
| 58 | L | 50.7 | Low | 51.1 | Low | 167 Ų | 167 | 111 Ų | 111 | 87% | 0.874 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -63.1 | -7.9 | 169.6 | -84 | 143.2 | 0 | 0 | 0 | 111.9 | D56 | D56-L58 PolarHBondContact O-N 2.71Š|
| 59 | C | 49.6 | Very low | 52 | Low | 44 Ų | 44 | 107.7 Ų | 107.7 | 30% | 0.297 | 63% | 0.627 | S | S | . | * | S | Bend | trans | -85 | 120.1 | 159.5 | -66.2 | 0 | 0 | 0 | 0 | 108.3 | C22 S57 | C22-C59 HydrophobicContact CB-CB 4.1Å; C22-C59 WeakPolarHBondContact CB-SG 3.38Å; C22-C59 VanDerWaalsContact SG-CA 3.52Å; C22-C59 WeakPolarHBondContact SG-CB 3.1Å; C22-C59 CovalentContact SG-SG 2.05Å; C22-C59 PolarHBondContact SG-SG 3.02Å; S57-C59 CarbonylContact C-O 3.52Å; S57-C59 CarbonylContact O-C 3.48Å; S57-C59 PolarHBondContact O-N 2.77Å; S57-C59 VanDerWaalsContact O-N 3.12Å |
| 60 | P | 53.8 | Low | 52.9 | Low | 98 Ų | 98 | 99.9 Ų | 99.9 | 64% | 0.636 | 61% | 0.609 | S | S | * | * | | | trans | -52.3 | 137.8 | 170.7 | 24 | -32.1 | 0 | 0 | 0 | 107.3 | T62 | P60-T62 PolarHBondContact O-N 2.77Š|
| 61 | P | 52.7 | Low | 54.2 | Low | 107 Ų | 107 | 99.3 Ų | 99.3 | 70% | 0.695 | 60% | 0.6 | S | S | * | * | | | trans | -51.6 | 110.3 | 173.2 | 20 | -29.2 | 0 | 0 | 0 | 105.5 | G63 | P61-G63 WeakPolarHBondContact O-CA 3.34Å; P61-G63 PolarHBondContact O-N 2.93Å |
| 62 | T | 57.4 | Low | 55.9 | Low | 97 Ų | 97 | 97.9 Ų | 97.9 | 60% | 0.595 | 60% | 0.595 | S | S | * | * | | | trans | -58.1 | 101.4 | 179.8 | -15.9 | 0 | 0 | 0 | 0 | 103.4 | A25 P60 S64 | A25-T62 HydrophobicContact CB-CG2 3.83Å; P60-T62 PolarHBondContact O-N 2.77Å; T62-S64 PolarHBondContact O-N 3.04Å |
| 63 | G | 52.2 | Low | 57.3 | Low | 28 Ų | 28 | 93.6 Ų | 93.6 | 29% | 0.289 | 57% | 0.572 | S | S | . | * | | | trans | -52.1 | 108.2 | -158.8 | 0 | 0 | 0 | 0 | 0 | 106.5 | P61 I68 | P61-G63 WeakPolarHBondContact O-CA 3.34Å; P61-G63 PolarHBondContact O-N 2.93Å; G63-I68 VanDerWaalsContact O-CD1 3.23Å; G63-I68 WeakPolarHBondContact O-CD1 3.23Å |
| 64 | S | 49.9 | Very low | 59 | Low | 70 Ų | 70 | 97.9 Ų | 97.9 | 49% | 0.49 | 58% | 0.583 | S | S | . | * | | | trans | -52.8 | 139.9 | 179.2 | -56.1 | 0 | 0 | 0 | 0 | 105.3 | T62 S66 M67 I68 | T62-S64 PolarHBondContact O-N 3.04Å; S64-S66 CarbonylContact O-C 3.58Å; S64-S66 PolarHBondContact O-N 2.64Å; S64-M67 PolarHBondContact O-N 2.75Å; S64-I68 PolarHBondContact O-N 2.83Å |
| 65 | P | 57.6 | Low | 60.2 | Low | 102 Ų | 102 | 96.4 Ų | 96.4 | 66% | 0.662 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -47.5 | -29.6 | -179.7 | 15.6 | -29.3 | 0 | 0 | 0 | 111.4 | T69 | P65-T69 WeakPolarHBondContact O-CB 3.13Å; P65-T69 PolarHBondContact O-N 2.73Å; P65-T69 PolarHBondContact O-OG1 3.4Å |
| 66 | S | 55.4 | Low | 61.6 | Low | 95 Ų | 95 | 91.6 Ų | 91.6 | 66% | 0.664 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -56.1 | -42.9 | 169.9 | -42.8 | 0 | 0 | 0 | 0 | 115.9 | S64 A70 | S64-S66 CarbonylContact O-C 3.58Å; S64-S66 PolarHBondContact O-N 2.64Å; S66-A70 VanDerWaalsContact O-CB 3.22Å; S66-A70 WeakPolarHBondContact O-CB 3.25Å; S66-A70 PolarHBondContact O-N 2.96Å |
| 67 | M | 62 | Low | 62.7 | Low | 106 Ų | 106 | 92.2 Ų | 92.2 | 52% | 0.522 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -75.4 | -44.5 | 179.8 | -177.1 | -179.2 | 179.2 | 0 | 0 | 111.8 | S64 T69 A70 I71 | S64-M67 PolarHBondContact O-N 2.75Å; M67-T69 VanDerWaalsContact C-N 3.33Å; M67-T69 PolarHBondContact O-N 2.96Å; M67-A70 PolarHBondContact O-N 3.4Å; M67-I71 HydrophobicContact CE-CD1 4.1Å; M67-I71 HydrophobicContact CG-CD1 4.04Å; M67-I71 WeakPolarHBondContact O-CG1 3.44Å; M67-I71 PolarHBondContact O-N 3.49Å |
| 68 | I | 63.6 | Low | 63.3 | Low | 95 Ų | 95 | 91.6 Ų | 91.6 | 49% | 0.487 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.4 | -42.4 | 179.6 | -64.1 | 159.4 | 0 | 0 | 0 | 110 | G63 S64 T72 | G63-I68 VanDerWaalsContact O-CD1 3.23Å; G63-I68 WeakPolarHBondContact O-CD1 3.23Å; S64-I68 PolarHBondContact O-N 2.83Å; I68-T72 WeakPolarHBondContact O-CB 3.4Å; I68-T72 PolarHBondContact O-N 2.95Å; I68-T72 PolarHBondContact O-OG1 3.06Å |
| 69 | T | 68.1 | Low | 64.2 | Low | 75 Ų | 75 | 90 Ų | 90 | 46% | 0.46 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.2 | -42.8 | 176 | -56.1 | 0 | 0 | 0 | 0 | 111.1 | P65 M67 I71 T72 I73 | P65-T69 WeakPolarHBondContact O-CB 3.13Å; P65-T69 PolarHBondContact O-N 2.73Å; P65-T69 PolarHBondContact O-OG1 3.4Å; M67-T69 VanDerWaalsContact C-N 3.33Å; M67-T69 PolarHBondContact O-N 2.96Å; T69-I71 PolarHBondContact O-N 3.01Å; T69-T72 PolarHBondContact O-N 2.9Å; T69-I73 HydrophobicContact CG2-CD1 3.62Å; T69-I73 HydrophobicContact CG2-CG1 4.23Å; T69-I73 WeakPolarHBondContact O-CB 3.42Å; T69-I73 VanDerWaalsContact O-CG1 3.23Å; T69-I73 WeakPolarHBondContact O-CG1 3.34Å; T69-I73 PolarHBondContact O-N 3.49Å |
| 70 | A | 68.6 | Low | 64.9 | Low | 52 Ų | 52 | 93.8 Ų | 93.8 | 43% | 0.43 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -61.4 | -44.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | S66 M67 T72 I73 M74 | S66-A70 VanDerWaalsContact O-CB 3.22Å; S66-A70 WeakPolarHBondContact O-CB 3.25Å; S66-A70 PolarHBondContact O-N 2.96Å; M67-A70 PolarHBondContact O-N 3.4Å; A70-T72 VanDerWaalsContact C-N 3.34Å; A70-T72 PolarHBondContact O-N 3.48Å; A70-I73 PolarHBondContact O-N 3.05Å; A70-M74 VanDerWaalsContact O-CG 3.29Å; A70-M74 WeakPolarHBondContact O-CG 3.22Å; A70-M74 PolarHBondContact O-N 3.45Å |
| 71 | I | 75.9 | Confident | 64.8 | Low | 102 Ų | 102 | 96.7 Ų | 96.7 | 52% | 0.523 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -62.7 | -44.5 | 177.1 | -66 | 164.5 | 0 | 0 | 0 | 110.6 | M67 T69 M74 A75 | M67-I71 HydrophobicContact CE-CD1 4.1Å; M67-I71 HydrophobicContact CG-CD1 4.04Å; M67-I71 WeakPolarHBondContact O-CG1 3.44Å; M67-I71 PolarHBondContact O-N 3.49Å; T69-I71 PolarHBondContact O-N 3.01Å; I71-M74 PolarHBondContact O-N 3.29Å; I71-A75 WeakPolarHBondContact O-CB 3.29Å; I71-A75 PolarHBondContact O-N 3.48Å |
| 72 | T | 76.3 | Confident | 65.5 | Low | 71 Ų | 71 | 96.2 Ų | 96.2 | 44% | 0.436 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -64.6 | -44.1 | -178.9 | -55.2 | 0 | 0 | 0 | 0 | 111.4 | I68 T69 A70 A75 L76 | I68-T72 WeakPolarHBondContact O-CB 3.4Å; I68-T72 PolarHBondContact O-N 2.95Å; I68-T72 PolarHBondContact O-OG1 3.06Å; T69-T72 PolarHBondContact O-N 2.9Å; A70-T72 VanDerWaalsContact C-N 3.34Å; A70-T72 PolarHBondContact O-N 3.48Å; T72-A75 PolarHBondContact O-N 3.38Å; T72-L76 HydrophobicContact CG2-CD1 3.95Å; T72-L76 HydrophobicContact CG2-CG 4.41Å; T72-L76 WeakPolarHBondContact O-CB 3.47Å; T72-L76 VanDerWaalsContact O-CG 3.25Å; T72-L76 WeakPolarHBondContact O-CG 3.42Å; T72-L76 PolarHBondContact O-N 3.32Å |
| 73 | I | 77.4 | Confident | 65.9 | Low | 82 Ų | 82 | 96.1 Ų | 96.1 | 42% | 0.421 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -62.1 | -46.5 | 177.3 | -68.7 | 169.3 | 0 | 0 | 0 | 110.5 | T69 A70 A75 L76 Y77 | T69-I73 HydrophobicContact CG2-CD1 3.62Å; T69-I73 HydrophobicContact CG2-CG1 4.23Å; T69-I73 WeakPolarHBondContact O-CB 3.42Å; T69-I73 VanDerWaalsContact O-CG1 3.23Å; T69-I73 WeakPolarHBondContact O-CG1 3.34Å; T69-I73 PolarHBondContact O-N 3.49Å; A70-I73 PolarHBondContact O-N 3.05Å; I73-A75 PolarHBondContact O-N 3.15Å; I73-L76 PolarHBondContact O-N 3.38Å; I73-Y77 HydrophobicContact CG2-CD2 3.76Å; I73-Y77 HydrophobicContact CG2-CE2 3.95Å; I73-Y77 WeakPolarHBondContact O-CD2 3.23Å; I73-Y77 PolarHBondContact O-N 3.39Å |
| 74 | M | 73.8 | Confident | 66.6 | Low | 131 Ų | 131 | 99.9 Ų | 99.9 | 65% | 0.645 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -61.6 | -42.4 | 178.6 | -70 | -61.4 | -65.7 | 0 | 0 | 112.1 | A70 I71 Y77 S78 | A70-M74 VanDerWaalsContact O-CG 3.29Å; A70-M74 WeakPolarHBondContact O-CG 3.22Å; A70-M74 PolarHBondContact O-N 3.45Å; I71-M74 PolarHBondContact O-N 3.29Å; M74-Y77 PolarHBondContact O-N 3.29Å; M74-S78 PolarHBondContact O-N 3.16Å; M74-S78 VanDerWaalsContact O-N 3.16Å; M74-S78 PolarHBondContact O-OG 2.95Å |
| 75 | A | 75.4 | Confident | 67.6 | Low | 52 Ų | 52 | 101.6 Ų | 101.6 | 43% | 0.43 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -64.6 | -41.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | I71 T72 I73 S78 I79 | I71-A75 WeakPolarHBondContact O-CB 3.29Å; I71-A75 PolarHBondContact O-N 3.48Å; T72-A75 PolarHBondContact O-N 3.38Å; I73-A75 PolarHBondContact O-N 3.15Å; A75-S78 PolarHBondContact O-N 3.44Å; A75-I79 WeakPolarHBondContact O-CG1 3.42Å; A75-I79 PolarHBondContact O-N 3.31Å |
| 76 | L | 75.6 | Confident | 68.2 | Low | 100 Ų | 100 | 101.6 Ų | 101.6 | 52% | 0.524 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -65.5 | -40.6 | 177 | -71.4 | 171.2 | 0 | 0 | 0 | 112.1 | T72 I73 S78 I79 V80 | T72-L76 HydrophobicContact CG2-CD1 3.95Å; T72-L76 HydrophobicContact CG2-CG 4.41Å; T72-L76 WeakPolarHBondContact O-CB 3.47Å; T72-L76 VanDerWaalsContact O-CG 3.25Å; T72-L76 WeakPolarHBondContact O-CG 3.42Å; T72-L76 PolarHBondContact O-N 3.32Å; I73-L76 PolarHBondContact O-N 3.38Å; L76-S78 VanDerWaalsContact C-N 3.27Å; L76-S78 PolarHBondContact O-N 3.4Å; L76-I79 PolarHBondContact O-N 3.05Å; L76-I79 VanDerWaalsContact O-N 3.15Å; L76-V80 PolarHBondContact O-N 3.38Å |
| 77 | Y | 69.8 | Low | 69.1 | Low | 160 Ų | 160 | 102.1 Ų | 102.1 | 63% | 0.627 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -61.8 | -34.9 | 174.9 | -98.2 | -87.1 | 0 | 0 | 0 | 112.3 | I73 M74 I79 V80 C81 | I73-Y77 HydrophobicContact CG2-CD2 3.76Å; I73-Y77 HydrophobicContact CG2-CE2 3.95Å; I73-Y77 WeakPolarHBondContact O-CD2 3.23Å; I73-Y77 PolarHBondContact O-N 3.39Å; M74-Y77 PolarHBondContact O-N 3.29Å; Y77-I79 VanDerWaalsContact C-N 3.27Å; Y77-I79 PolarHBondContact O-N 3.18Å; Y77-V80 PolarHBondContact O-N 3.29Å; Y77-C81 PolarHBondContact O-N 3.39Å |
| 78 | S | 64.1 | Low | 69.6 | Low | 89 Ų | 89 | 101.8 Ų | 101.8 | 62% | 0.622 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -71.8 | -15.2 | 176 | -60.8 | 0 | 0 | 0 | 0 | 114.9 | M74 A75 L76 | M74-S78 PolarHBondContact O-N 3.16Å; M74-S78 VanDerWaalsContact O-N 3.16Å; M74-S78 PolarHBondContact O-OG 2.95Å; A75-S78 PolarHBondContact O-N 3.44Å; L76-S78 VanDerWaalsContact C-N 3.27Å; L76-S78 PolarHBondContact O-N 3.4Å |
| 79 | I | 69.4 | Low | 70.1 | Confident | 133 Ų | 133 | 102.3 Ų | 102.3 | 68% | 0.682 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -89.4 | -25.2 | 176.9 | -64.1 | 161.4 | 0 | 0 | 0 | 110.8 | A75 L76 Y77 | A75-I79 WeakPolarHBondContact O-CG1 3.42Å; A75-I79 PolarHBondContact O-N 3.31Å; L76-I79 PolarHBondContact O-N 3.05Å; L76-I79 VanDerWaalsContact O-N 3.15Å; Y77-I79 VanDerWaalsContact C-N 3.27Å; Y77-I79 PolarHBondContact O-N 3.18Å |
| 80 | V | 63.7 | Low | 70.2 | Confident | 125 Ų | 125 | 104.6 Ų | 104.6 | 76% | 0.758 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -92.5 | -23 | -174.5 | 172.6 | 0 | 0 | 0 | 0 | 112.8 | L76 Y77 | L76-V80 PolarHBondContact O-N 3.38Å; Y77-V80 PolarHBondContact O-N 3.29Å |
| 81 | C | 52.8 | Low | 70.4 | Confident | 158 Ų | 158 | 109.4 Ų | 109.4 | 100% | 1.068 | 61% | 0.612 | S | S | * | * | | | trans | -98.1 | 0 | 172.6 | -69.3 | 0 | 0 | 0 | 0 | 111.4 | Y77 | Y77-C81 PolarHBondContact O-N 3.39Š|