| 1 | M | 38.5 | Very low | 47.1 | Very low | 237 Ų | 237 | 146.7 Ų | 146.7 | 100% | 1.167 | 81% | 0.807 | S | S | * | * | | | | 0 | 100.1 | 0 | -170.4 | 174 | -76.5 | 0 | 0 | 106.5 | | |
| 2 | A | 41 | Very low | 47.4 | Very low | 96 Ų | 96 | 147.8 Ų | 147.8 | 79% | 0.793 | 81% | 0.809 | S | S | * | * | | | trans | -71.5 | 132.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | S4 | A2-S4 VanDerWaalsContact C-N 3.31Å; A2-S4 PolarHBondContact O-N 2.99Å |
| 3 | L | 51 | Low | 47.7 | Very low | 171 Ų | 171 | 143.1 Ų | 143.1 | 90% | 0.895 | 79% | 0.793 | S | S | * | * | | | trans | -60.6 | 98.1 | 172.9 | -62.8 | 170.2 | 0 | 0 | 0 | 106.6 | G5 | L3-G5 PolarHBondContact O-N 2.92Š|
| 4 | S | 47.7 | Very low | 47.9 | Very low | 116 Ų | 116 | 142 Ų | 142 | 81% | 0.811 | 80% | 0.801 | S | S | * | * | | | trans | -56 | 113.6 | 177.3 | -161.7 | 0 | 0 | 0 | 0 | 106.3 | A2 | A2-S4 VanDerWaalsContact C-N 3.31Å; A2-S4 PolarHBondContact O-N 2.99Å |
| 5 | G | 42.7 | Very low | 47.9 | Very low | 46 Ų | 46 | 138.3 Ų | 138.3 | 47% | 0.474 | 79% | 0.786 | S | S | . | * | | | trans | -52.4 | 145.1 | -171 | 0 | 0 | 0 | 0 | 0 | 110.4 | L3 S7 | L3-G5 PolarHBondContact O-N 2.92Å; G5-S7 PolarHBondContact O-N 3.39Å; G5-S7 PolarHBondContact O-OG 2.84Å |
| 6 | F | 49.7 | Very low | 47.8 | Very low | 198 Ų | 198 | 139.9 Ų | 139.9 | 87% | 0.868 | 79% | 0.785 | S | S | * | * | | | trans | -52.8 | 83.4 | 164.3 | -62.4 | -93.1 | 0 | 0 | 0 | 108.6 | | |
| 7 | S | 47 | Very low | 47.6 | Very low | 92 Ų | 92 | 139.9 Ų | 139.9 | 64% | 0.643 | 79% | 0.79 | S | S | * | * | | | trans | -95.5 | -12.2 | -171.4 | -49.4 | 0 | 0 | 0 | 0 | 112.1 | G5 | G5-S7 PolarHBondContact O-N 3.39Å; G5-S7 PolarHBondContact O-OG 2.84Å |
| 8 | D | 47.4 | Very low | 47.6 | Very low | 149 Ų | 149 | 138 Ų | 138 | 80% | 0.797 | 78% | 0.776 | S | S | * | * | | | trans | -110.8 | 30.3 | -166.6 | -55.5 | -19.2 | 0 | 0 | 0 | 112.2 | D10 | D8-D10 VanDerWaalsContact C-N 3.3Å; D8-D10 PolarHBondContact O-N 2.83Å; D8-D10 VanDerWaalsContact O-N 3.14Å |
| 9 | F | 50.2 | Low | 47.8 | Very low | 177 Ų | 177 | 139.3 Ų | 139.3 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | | | trans | -79.5 | 94.1 | 159.4 | -91.5 | -82.2 | 0 | 0 | 0 | 107.2 | E11 | F9-E11 PolarHBondContact O-N 3.14Š|
| 10 | D | 54 | Low | 47.7 | Very low | 141 Ų | 141 | 142.5 Ų | 142.5 | 75% | 0.754 | 78% | 0.781 | S | S | * | * | | | trans | -46.3 | 113.5 | 160.6 | -78.1 | -40.2 | 0 | 0 | 0 | 107 | D8 L12 | D8-D10 VanDerWaalsContact C-N 3.3Å; D8-D10 PolarHBondContact O-N 2.83Å; D8-D10 VanDerWaalsContact O-N 3.14Å; D10-L12 PolarHBondContact O-N 2.92Å |
| 11 | E | 49.1 | Very low | 47.8 | Very low | 191 Ų | 191 | 141.6 Ų | 141.6 | 89% | 0.893 | 77% | 0.771 | S | S | * | * | | | trans | -60.1 | 93.9 | 174.2 | -170.5 | 172.7 | -162.6 | 0 | 0 | 106 | F9 S13 | F9-E11 PolarHBondContact O-N 3.14Å; E11-S13 PolarHBondContact O-N 2.85Å |
| 12 | L | 50.2 | Low | 48.8 | Very low | 159 Ų | 159 | 138.1 Ų | 138.1 | 83% | 0.832 | 76% | 0.757 | S | S | * | * | | | trans | -55.9 | 107.9 | 175.5 | -67.8 | 176.2 | 0 | 0 | 0 | 105.5 | D10 S14 | D10-L12 PolarHBondContact O-N 2.92Å; L12-S14 PolarHBondContact O-N 2.86Å |
| 13 | S | 52.2 | Low | 49.5 | Very low | 87 Ų | 87 | 137.5 Ų | 137.5 | 61% | 0.608 | 76% | 0.76 | S | S | * | * | | | trans | -50.9 | 137.2 | 175.5 | 71.6 | 0 | 0 | 0 | 0 | 106.7 | E11 C15 | E11-S13 PolarHBondContact O-N 2.85Å; S13-C15 PolarHBondContact O-N 3.14Å; S13-C15 PolarHBondContact OG-SG 3.1Å |
| 14 | S | 50.1 | Low | 49.6 | Very low | 128 Ų | 128 | 135.7 Ų | 135.7 | 90% | 0.895 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -65.5 | 64.6 | -176.2 | 41.5 | 0 | 0 | 0 | 0 | 111.6 | L12 | L12-S14 PolarHBondContact O-N 2.86Š|
| 15 | C | 47.9 | Very low | 49.7 | Very low | 87 Ų | 87 | 135.6 Ų | 135.6 | 59% | 0.588 | 75% | 0.75 | S | S | * | * | | | trans | -106.1 | 93 | 173.7 | -62 | 0 | 0 | 0 | 0 | 104.6 | S13 T17 | S13-C15 PolarHBondContact O-N 3.14Å; S13-C15 PolarHBondContact OG-SG 3.1Å; C15-T17 PolarHBondContact O-N 3.01Å |
| 16 | E | 45.5 | Very low | 50.2 | Low | 163 Ų | 163 | 137.1 Ų | 137.1 | 76% | 0.762 | 76% | 0.759 | S | S | * | * | | | trans | 12.2 | 102.6 | 150.7 | 56.3 | -152.3 | 159 | 0 | 0 | 115.2 | L18 | E16-L18 VanDerWaalsContact C-N 3.35Å; E16-L18 PolarHBondContact O-N 2.81Å |
| 17 | T | 45.4 | Very low | 50.8 | Low | 141 Ų | 141 | 134 Ų | 134 | 87% | 0.865 | 75% | 0.749 | S | S | * | * | | | trans | -65.8 | 96.7 | 173.3 | 15.4 | 0 | 0 | 0 | 0 | 108.3 | C15 L19 | C15-T17 PolarHBondContact O-N 3.01Å; T17-L19 PolarHBondContact O-N 2.98Å; T17-L19 VanDerWaalsContact O-N 3.09Å |
| 18 | L | 47.8 | Very low | 51.1 | Low | 105 Ų | 105 | 133.5 Ų | 133.5 | 55% | 0.55 | 75% | 0.746 | S | S | . | * | | | trans | -66.3 | 105.5 | 170 | -71.7 | 163.3 | 0 | 0 | 0 | 107.9 | E16 Y20 A26 | E16-L18 VanDerWaalsContact C-N 3.35Å; E16-L18 PolarHBondContact O-N 2.81Å; L18-Y20 VanDerWaalsContact C-N 3.3Å; L18-Y20 HydrophobicContact CB-CD2 4Å; L18-Y20 HydrophobicContact CB-CE2 3.79Å; L18-Y20 HydrophobicContact CD1-CE2 4.2Å; L18-Y20 PolarHBondContact O-N 2.66Å; L18-A26 HydrophobicContact CD2-CB 4.48Å |
| 19 | L | 51.4 | Low | 51.7 | Low | 163 Ų | 163 | 134.6 Ų | 134.6 | 85% | 0.853 | 74% | 0.744 | S | S | * | * | | | trans | -68.5 | 92.1 | 164.6 | -82.9 | 153.6 | 0 | 0 | 0 | 107.7 | T17 H21 | T17-L19 PolarHBondContact O-N 2.98Å; T17-L19 VanDerWaalsContact O-N 3.09Å; L19-H21 VanDerWaalsContact C-N 3.25Å; L19-H21 PolarHBondContact O-N 3.02Å |
| 20 | Y | 45.3 | Very low | 51.9 | Low | 202 Ų | 202 | 131.5 Ų | 131.5 | 79% | 0.792 | 74% | 0.74 | S | S | * | * | | | trans | -68.7 | 87.3 | 167.5 | -81.7 | -92.9 | 0 | 0 | 0 | 108.6 | L18 | L18-Y20 VanDerWaalsContact C-N 3.3Å; L18-Y20 HydrophobicContact CB-CD2 4Å; L18-Y20 HydrophobicContact CB-CE2 3.79Å; L18-Y20 HydrophobicContact CD1-CE2 4.2Å; L18-Y20 PolarHBondContact O-N 2.66Å |
| 21 | H | 50.1 | Low | 51.8 | Low | 125 Ų | 125 | 133.6 Ų | 133.6 | 58% | 0.579 | 75% | 0.745 | S | S | * | * | | | trans | -80.5 | 117.7 | 159.7 | -122.6 | -83.3 | 0 | 0 | 0 | 107.2 | L19 G23 L24 | L19-H21 VanDerWaalsContact C-N 3.25Å; L19-H21 PolarHBondContact O-N 3.02Å; H21-G23 PolarHBondContact O-N 3.49Å; H21-G23 VanDerWaalsContact O-N 3.11Å; H21-L24 HydrophobicContact CB-CD1 4.12Å; H21-L24 HydrophobicContact CB-CG 4.46Å; H21-L24 PolarHBondContact O-N 2.89Å; H21-L24 VanDerWaalsContact O-N 3.16Å |
| 22 | N | 58.6 | Low | 51.8 | Low | 163 Ų | 163 | 128.9 Ų | 128.9 | 87% | 0.872 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -47.9 | 121.4 | 175.5 | -79 | -14.3 | 0 | 0 | 0 | 110.2 | | |
| 23 | G | 55.5 | Low | 51.6 | Low | 83 Ų | 83 | 130.9 Ų | 130.9 | 86% | 0.856 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 91.4 | -2.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | H21 | H21-G23 PolarHBondContact O-N 3.49Å; H21-G23 VanDerWaalsContact O-N 3.11Å |
| 24 | L | 52.9 | Low | 51.3 | Low | 133 Ų | 133 | 132.9 Ų | 132.9 | 70% | 0.696 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -101.1 | 125.9 | 171 | -63.6 | -178.9 | 0 | 0 | 0 | 110.4 | H21 A26 | H21-L24 HydrophobicContact CB-CD1 4.12Å; H21-L24 HydrophobicContact CB-CG 4.46Å; H21-L24 PolarHBondContact O-N 2.89Å; H21-L24 VanDerWaalsContact O-N 3.16Å; L24-A26 PolarHBondContact O-N 2.88Å |
| 25 | S | 49.8 | Very low | 51.2 | Low | 114 Ų | 114 | 138.9 Ų | 138.9 | 80% | 0.797 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 125.8 | 168.6 | -51.5 | 0 | 0 | 0 | 0 | 108.7 | I27 | S25-I27 PolarHBondContact O-N 2.6Š|
| 26 | A | 54.5 | Low | 51.1 | Low | 79 Ų | 79 | 142.2 Ų | 142.2 | 65% | 0.653 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 125.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | L18 L24 S28 | L18-A26 HydrophobicContact CD2-CB 4.48Å; L24-A26 PolarHBondContact O-N 2.88Å; A26-S28 PolarHBondContact O-N 3.17Å |
| 27 | I | 61.3 | Low | 51.2 | Low | 132 Ų | 132 | 143.6 Ų | 143.6 | 68% | 0.677 | 75% | 0.746 | S | S | * | * | | | trans | -74.6 | 108.4 | 175.2 | -62.8 | 172.1 | 0 | 0 | 0 | 106.8 | S25 F29 | S25-I27 PolarHBondContact O-N 2.6Å; I27-F29 HydrophobicContact CG2-CE1 4.41Å; I27-F29 HydrophobicContact CG2-CZ 4.31Å |
| 28 | S | 53.8 | Low | 51.2 | Low | 81 Ų | 81 | 142.1 Ų | 142.1 | 57% | 0.566 | 74% | 0.737 | S | S | * | * | | | trans | -75.3 | 122.3 | 172 | -177.6 | 0 | 0 | 0 | 0 | 109.9 | A26 T30 | A26-S28 PolarHBondContact O-N 3.17Å; S28-T30 PolarHBondContact O-N 2.91Å; S28-T30 PolarHBondContact OG-N 2.88Å; S28-T30 PolarHBondContact OG-OG1 3.26Å |
| 29 | F | 60.8 | Low | 51 | Low | 172 Ų | 172 | 145.6 Ų | 145.6 | 75% | 0.754 | 76% | 0.756 | S | S | * | * | | | trans | -84.7 | 13.4 | 176.1 | -66.8 | -82.2 | 0 | 0 | 0 | 113.6 | I27 H31 | I27-F29 HydrophobicContact CG2-CE1 4.41Å; I27-F29 HydrophobicContact CG2-CZ 4.31Å; F29-H31 PolarHBondContact O-N 3.1Å |
| 30 | T | 53.7 | Low | 50.8 | Low | 113 Ų | 113 | 144.5 Ų | 144.5 | 69% | 0.693 | 75% | 0.75 | S | S | * | * | | | trans | -68.4 | 7.4 | -174.4 | 44.3 | 0 | 0 | 0 | 0 | 116.3 | S28 V32 | S28-T30 PolarHBondContact O-N 2.91Å; S28-T30 PolarHBondContact OG-N 2.88Å; S28-T30 PolarHBondContact OG-OG1 3.26Å; T30-V32 PolarHBondContact O-N 2.76Å |
| 31 | H | 51.4 | Low | 50.7 | Low | 185 Ų | 185 | 140 Ų | 140 | 86% | 0.856 | 75% | 0.747 | S | S | * | * | | | trans | -100.1 | 61.3 | 170.6 | -76.6 | -84.1 | 0 | 0 | 0 | 112.4 | F29 | F29-H31 PolarHBondContact O-N 3.1Š|
| 32 | V | 49.2 | Very low | 50.5 | Low | 92 Ų | 92 | 140 Ų | 140 | 56% | 0.558 | 76% | 0.761 | S | S | * | * | | | trans | -129.4 | 138 | 158.4 | -167.3 | 0 | 0 | 0 | 0 | 104.8 | T30 | T30-V32 PolarHBondContact O-N 2.76Š|
| 33 | F | 46.8 | Very low | 49.8 | Very low | 201 Ų | 201 | 140.1 Ų | 140.1 | 88% | 0.882 | 76% | 0.756 | S | S | * | * | S | Bend | trans | 78.1 | 87.7 | -173.4 | -30.9 | -65.9 | 0 | 0 | 0 | 111.8 | | |
| 34 | D | 46 | Very low | 49.4 | Very low | 128 Ų | 128 | 140.5 Ų | 140.5 | 68% | 0.684 | 75% | 0.746 | S | S | * | * | | | | -163.2 | 118.3 | 70.1 | -168.5 | -3.6 | 0 | 0 | 0 | 108.9 | K36 | D34-K36 PolarHBondContact O-N 3.21Å; D34-K36 WeakPolarHBondContact OD1-CB 3.31Å; D34-K36 WeakPolarHBondContact OD1-CG 3.45Å; D34-K36 PolarHBondContact OD1-N 3.38Å |
| 35 | R | 47 | Very low | 49 | Very low | 255 Ų | 255 | 141.1 Ų | 141.1 | 96% | 0.962 | 75% | 0.749 | S | S | * | * | | | trans | -74.1 | 21.8 | -178.8 | -161 | -173.3 | 169.6 | -162.6 | -3.1 | 111.9 | | |
| 36 | K | 46.9 | Very low | 48.5 | Very low | 157 Ų | 157 | 141.7 Ų | 141.7 | 68% | 0.683 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -131.3 | 98.6 | -170.8 | -56 | -99.8 | -177.7 | 166 | 0 | 106.9 | D34 | D34-K36 PolarHBondContact O-N 3.21Å; D34-K36 WeakPolarHBondContact OD1-CB 3.31Å; D34-K36 WeakPolarHBondContact OD1-CG 3.45Å; D34-K36 PolarHBondContact OD1-N 3.38Å |
| 37 | K | 47.1 | Very low | 48.3 | Very low | 191 Ų | 191 | 144.3 Ų | 144.3 | 83% | 0.83 | 75% | 0.747 | S | S | * | * | S | Bend | trans | 83.5 | 102.3 | 177 | -50.8 | 170.1 | 176.1 | -178.9 | 0 | 113.5 | | |
| 38 | T | 45.9 | Very low | 47.8 | Very low | 111 Ų | 111 | 142.5 Ų | 142.5 | 68% | 0.681 | 75% | 0.746 | S | S | * | * | | | | 176.9 | 101.2 | 108.3 | 25.9 | 0 | 0 | 0 | 0 | 109.1 | L40 | T38-L40 HydrophobicContact CG2-CB 4.26Å; T38-L40 HydrophobicContact CG2-CD1 3.54Å; T38-L40 HydrophobicContact CG2-CG 4Å; T38-L40 PolarHBondContact O-N 2.98Å |
| 39 | D | 44.1 | Very low | 47.2 | Very low | 177 Ų | 177 | 144.4 Ų | 144.4 | 95% | 0.947 | 75% | 0.75 | S | S | * | * | | | trans | -70.5 | 27.9 | 158.2 | -68.6 | -48.5 | 0 | 0 | 0 | 111.2 | C41 | D39-C41 PolarHBondContact O-N 2.84Å; D39-C41 VanDerWaalsContact O-N 3.14Å |
| 40 | L | 45.3 | Very low | 46.5 | Very low | 141 Ų | 141 | 141.4 Ų | 141.4 | 74% | 0.738 | 75% | 0.746 | S | S | * | * | | | trans | -86.5 | 96.1 | 179.3 | -73 | 170.4 | 0 | 0 | 0 | 107.5 | T38 | T38-L40 HydrophobicContact CG2-CB 4.26Å; T38-L40 HydrophobicContact CG2-CD1 3.54Å; T38-L40 HydrophobicContact CG2-CG 4Å; T38-L40 PolarHBondContact O-N 2.98Å |
| 41 | C | 43.4 | Very low | 46.2 | Very low | 108 Ų | 108 | 140.9 Ų | 140.9 | 73% | 0.73 | 74% | 0.744 | S | S | * | * | | | trans | 38.6 | 94.6 | 141.5 | -152.4 | 0 | 0 | 0 | 0 | 113.1 | D39 Q43 | D39-C41 PolarHBondContact O-N 2.84Å; D39-C41 VanDerWaalsContact O-N 3.14Å; C41-Q43 PolarHBondContact O-N 3.16Å |
| 42 | S | 46.1 | Very low | 46.1 | Very low | 125 Ų | 125 | 137.5 Ų | 137.5 | 87% | 0.874 | 74% | 0.742 | S | S | * | * | | | trans | -55.6 | 80.2 | 158.6 | 29.6 | 0 | 0 | 0 | 0 | 108.8 | S44 | S42-S44 VanDerWaalsContact C-N 3.35Å; S42-S44 PolarHBondContact O-N 2.8Å |
| 43 | Q | 44.7 | Very low | 45.8 | Very low | 164 Ų | 164 | 143.7 Ų | 143.7 | 77% | 0.766 | 76% | 0.755 | S | S | * | * | | | trans | -64.6 | 105.4 | 166.3 | -160.5 | 168.1 | 56.6 | 0 | 0 | 104 | C41 L45 | C41-Q43 PolarHBondContact O-N 3.16Å; Q43-L45 VanDerWaalsContact C-N 3.29Å; Q43-L45 PolarHBondContact O-N 3.24Å |
| 44 | S | 46.3 | Very low | 46 | Very low | 92 Ų | 92 | 143.5 Ų | 143.5 | 64% | 0.643 | 75% | 0.754 | S | S | * | * | | | trans | -53.3 | 102.6 | 169.5 | -179.3 | 0 | 0 | 0 | 0 | 106.1 | S42 H46 | S42-S44 VanDerWaalsContact C-N 3.35Å; S42-S44 PolarHBondContact O-N 2.8Å; S44-H46 PolarHBondContact O-N 2.76Å |
| 45 | L | 44.3 | Very low | 45.8 | Very low | 145 Ų | 145 | 143.8 Ų | 143.8 | 76% | 0.759 | 76% | 0.76 | S | S | * | * | | | trans | -66.3 | 91.1 | 173.3 | -86 | 160.8 | 0 | 0 | 0 | 105.8 | Q43 T47 | Q43-L45 VanDerWaalsContact C-N 3.29Å; Q43-L45 PolarHBondContact O-N 3.24Å; L45-T47 PolarHBondContact O-N 3.26Å |
| 46 | H | 41.1 | Very low | 45.7 | Very low | 126 Ų | 126 | 143.1 Ų | 143.1 | 58% | 0.583 | 76% | 0.758 | S | S | * | * | | | trans | -59.2 | 124.9 | 166.1 | -91 | -80.9 | 0 | 0 | 0 | 106.8 | S44 S48 D49 | S44-H46 PolarHBondContact O-N 2.76Å; H46-S48 PolarHBondContact O-N 3.07Å; H46-D49 PolarHBondContact O-N 2.86Å |
| 47 | T | 48.6 | Very low | 45.6 | Very low | 135 Ų | 135 | 140 Ų | 140 | 83% | 0.828 | 76% | 0.756 | S | S | * | * | G | 310 helix | trans | -59.2 | -6 | -179.3 | 51.9 | 0 | 0 | 0 | 0 | 113.6 | L45 D49 | L45-T47 PolarHBondContact O-N 3.26Å; T47-D49 VanDerWaalsContact C-N 3.32Å |
| 48 | S | 51.5 | Low | 45.4 | Very low | 93 Ų | 93 | 136.1 Ų | 136.1 | 65% | 0.65 | 75% | 0.753 | S | S | * | * | G | 310 helix | trans | -72.8 | -19.1 | 173.3 | 53.2 | 0 | 0 | 0 | 0 | 114.3 | H46 | H46-S48 PolarHBondContact O-N 3.07Š|
| 49 | D | 42.2 | Very low | 45.2 | Very low | 121 Ų | 121 | 136.1 Ų | 136.1 | 65% | 0.647 | 75% | 0.752 | S | S | * | * | G | 310 helix | trans | -88.3 | -3.1 | -174.4 | -68.4 | -14.5 | 0 | 0 | 0 | 113.6 | H46 T47 P51 | H46-D49 PolarHBondContact O-N 2.86Å; T47-D49 VanDerWaalsContact C-N 3.32Å; D49-P51 WeakPolarHBondContact O-CD 3.36Å |
| 50 | V | 46 | Very low | 45 | Very low | 110 Ų | 110 | 134.4 Ų | 134.4 | 67% | 0.667 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -76.6 | 112.7 | 172.8 | -177 | 0 | 0 | 0 | 0 | 107.9 | S52 | V50-S52 PolarHBondContact O-N 2.82Å; V50-S52 VanDerWaalsContact O-N 3.09Å |
| 51 | P | 46 | Very low | 44.4 | Very low | 101 Ų | 101 | 135.2 Ų | 135.2 | 66% | 0.656 | 74% | 0.744 | S | S | * | * | | | trans | -59.1 | 123.1 | 174 | -16.6 | 30.7 | 0 | 0 | 0 | 107.4 | D49 R53 | D49-P51 WeakPolarHBondContact O-CD 3.36Å; P51-R53 PolarHBondContact O-N 2.93Å |
| 52 | S | 48.8 | Very low | 44.3 | Very low | 115 Ų | 115 | 137.2 Ų | 137.2 | 80% | 0.804 | 75% | 0.747 | S | S | * | * | | | trans | -68.9 | 63.3 | 173.1 | 55.5 | 0 | 0 | 0 | 0 | 110 | V50 K54 | V50-S52 PolarHBondContact O-N 2.82Å; V50-S52 VanDerWaalsContact O-N 3.09Å; S52-K54 VanDerWaalsContact C-N 3.27Å; S52-K54 PolarHBondContact O-N 3.12Å |
| 53 | R | 44 | Very low | 43.9 | Very low | 221 Ų | 221 | 138.6 Ų | 138.6 | 83% | 0.834 | 75% | 0.745 | S | S | * | * | | | trans | -67.8 | 99.6 | 163 | -74.8 | -167.2 | 177.8 | -163.5 | 1.1 | 105.4 | P51 T55 | P51-R53 PolarHBondContact O-N 2.93Å; R53-T55 VanDerWaalsContact C-N 3.29Å; R53-T55 PolarHBondContact O-N 3.16Å |
| 54 | K | 50.3 | Low | 44 | Very low | 197 Ų | 197 | 139.4 Ų | 139.4 | 86% | 0.857 | 75% | 0.748 | S | S | * | * | | | trans | -44.1 | 94.9 | 166.7 | -70.8 | 164.8 | 172.8 | 176.8 | 0 | 108.1 | S52 R56 | S52-K54 VanDerWaalsContact C-N 3.27Å; S52-K54 PolarHBondContact O-N 3.12Å; K54-R56 VanDerWaalsContact C-N 3.35Å; K54-R56 PolarHBondContact O-N 2.97Å |
| 55 | T | 43 | Very low | 43.6 | Very low | 135 Ų | 135 | 144.4 Ų | 144.4 | 83% | 0.828 | 76% | 0.758 | S | S | * | * | | | trans | -63.4 | 105.9 | 165.9 | -39.4 | 0 | 0 | 0 | 0 | 104.7 | R53 S57 | R53-T55 VanDerWaalsContact C-N 3.29Å; R53-T55 PolarHBondContact O-N 3.16Å; T55-S57 VanDerWaalsContact C-N 3.28Å; T55-S57 PolarHBondContact O-N 2.87Å |
| 56 | R | 44.5 | Very low | 43.3 | Very low | 241 Ų | 241 | 142.9 Ų | 142.9 | 91% | 0.909 | 76% | 0.76 | S | S | * | * | | | trans | -61.4 | 97.7 | 167.7 | -82.6 | -175.5 | 157.6 | 178.4 | -5.6 | 105.6 | K54 S58 | K54-R56 VanDerWaalsContact C-N 3.35Å; K54-R56 PolarHBondContact O-N 2.97Å; R56-S58 PolarHBondContact O-N 3.11Å |
| 57 | S | 44.9 | Very low | 43.2 | Very low | 91 Ų | 91 | 142.8 Ų | 142.8 | 64% | 0.636 | 77% | 0.768 | S | S | * | * | | | trans | -63.5 | 124.2 | 162.9 | 63.3 | 0 | 0 | 0 | 0 | 106.1 | T55 V59 | T55-S57 VanDerWaalsContact C-N 3.28Å; T55-S57 PolarHBondContact O-N 2.87Å; S57-V59 VanDerWaalsContact C-N 3.27Å; S57-V59 PolarHBondContact O-N 2.92Å |
| 58 | S | 41.8 | Very low | 42.9 | Very low | 110 Ų | 110 | 142 Ų | 142 | 77% | 0.769 | 76% | 0.763 | S | S | * | * | | | trans | -63.2 | 98.7 | 163.9 | 54.1 | 0 | 0 | 0 | 0 | 106.5 | R56 I60 | R56-S58 PolarHBondContact O-N 3.11Å; S58-I60 PolarHBondContact O-N 2.96Å; S58-I60 VanDerWaalsContact O-N 3.08Å |
| 59 | V | 41.6 | Very low | 42.5 | Very low | 110 Ų | 110 | 142.1 Ų | 142.1 | 67% | 0.667 | 76% | 0.764 | S | S | * | * | | | trans | -63.9 | 110.7 | 167.9 | 177.6 | 0 | 0 | 0 | 0 | 104.9 | S57 M61 | S57-V59 VanDerWaalsContact C-N 3.27Å; S57-V59 PolarHBondContact O-N 2.92Å; V59-M61 PolarHBondContact O-N 2.96Å |
| 60 | I | 40 | Very low | 42.7 | Very low | 142 Ų | 142 | 143.9 Ų | 143.9 | 73% | 0.728 | 77% | 0.773 | S | S | * | * | | | trans | -62.2 | 117.5 | 169.9 | -63.5 | 168 | 0 | 0 | 0 | 104.9 | S58 D62 | S58-I60 PolarHBondContact O-N 2.96Å; S58-I60 VanDerWaalsContact O-N 3.08Å; I60-D62 VanDerWaalsContact C-N 3.28Å; I60-D62 PolarHBondContact O-N 3.09Å |
| 61 | M | 32.9 | Very low | 42.5 | Very low | 158 Ų | 158 | 143.3 Ų | 143.3 | 78% | 0.778 | 78% | 0.775 | S | S | * | * | | | trans | -74.5 | 85.2 | 179.9 | -62.2 | -85.1 | -70.7 | 0 | 0 | 107.1 | V59 D63 | V59-M61 PolarHBondContact O-N 2.96Å; M61-D63 PolarHBondContact O-N 2.99Å |
| 62 | D | 41 | Very low | 42.2 | Very low | 150 Ų | 150 | 149.3 Ų | 149.3 | 80% | 0.802 | 78% | 0.784 | S | S | * | * | | | trans | -75.6 | 109.3 | 153.7 | -90.8 | -27.8 | 0 | 0 | 0 | 106.1 | I60 E64 | I60-D62 VanDerWaalsContact C-N 3.28Å; I60-D62 PolarHBondContact O-N 3.09Å; D62-E64 PolarHBondContact O-N 2.76Å |
| 63 | D | 39 | Very low | 42.1 | Very low | 154 Ų | 154 | 151.2 Ų | 151.2 | 82% | 0.824 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -57.8 | 89.4 | 169.5 | -117.2 | -10.7 | 0 | 0 | 0 | 107.2 | M61 | M61-D63 PolarHBondContact O-N 2.99Š|
| 64 | E | 45.4 | Very low | 42 | Very low | 181 Ų | 181 | 146.6 Ų | 146.6 | 85% | 0.846 | 78% | 0.78 | S | S | * | * | S | Bend | trans | 168.7 | 113.3 | 140 | -89.5 | 175.3 | -167.7 | 0 | 0 | 109.6 | D62 | D62-E64 PolarHBondContact O-N 2.76Š|
| 65 | K | 38 | Very low | 41.6 | Very low | 196 Ų | 196 | 144 Ų | 144 | 85% | 0.852 | 78% | 0.775 | S | S | * | * | | | trans | 77.9 | 84.1 | 162.2 | -132.7 | 166.1 | -173.5 | 179.8 | 0 | 116.2 | V67 | K65-V67 PolarHBondContact O-N 3.08Š|
| 66 | S | 37.8 | Very low | 41.7 | Very low | 114 Ų | 114 | 142.5 Ų | 142.5 | 80% | 0.797 | 77% | 0.768 | S | S | * | * | | | trans | -59.6 | 87 | 166.2 | 39.4 | 0 | 0 | 0 | 0 | 112.8 | T68 | S66-T68 PolarHBondContact O-N 3.09Å; S66-T68 VanDerWaalsContact O-N 3.12Å |
| 67 | V | 40.3 | Very low | 41.8 | Very low | 124 Ų | 124 | 140.8 Ų | 140.8 | 75% | 0.752 | 77% | 0.77 | S | S | * | * | | | trans | -78.6 | 93.7 | 168.2 | -175.7 | 0 | 0 | 0 | 0 | 108.4 | K65 S69 | K65-V67 PolarHBondContact O-N 3.08Å; V67-S69 VanDerWaalsContact C-N 3.33Å; V67-S69 PolarHBondContact O-N 3.45Å |
| 68 | T | 41 | Very low | 41.7 | Very low | 117 Ų | 117 | 140.7 Ų | 140.7 | 72% | 0.718 | 77% | 0.769 | S | S | * | * | | | trans | -78.1 | 77.8 | 175.4 | 51 | 0 | 0 | 0 | 0 | 110.5 | S66 N70 | S66-T68 PolarHBondContact O-N 3.09Å; S66-T68 VanDerWaalsContact O-N 3.12Å; T68-N70 VanDerWaalsContact C-N 3.33Å; T68-N70 PolarHBondContact O-N 2.92Å |
| 69 | S | 44 | Very low | 41.7 | Very low | 97 Ų | 97 | 144.9 Ų | 144.9 | 68% | 0.678 | 77% | 0.773 | S | S | * | * | | | trans | -78.9 | 84.9 | 171.6 | 57.4 | 0 | 0 | 0 | 0 | 110.3 | V67 S71 | V67-S69 VanDerWaalsContact C-N 3.33Å; V67-S69 PolarHBondContact O-N 3.45Å; S69-S71 PolarHBondContact O-N 2.78Å |
| 70 | N | 45.6 | Very low | 41.8 | Very low | 157 Ų | 157 | 144.1 Ų | 144.1 | 84% | 0.84 | 77% | 0.771 | S | S | * | * | | | trans | -63.7 | 78.3 | 160.7 | -83.9 | -54.3 | 0 | 0 | 0 | 109.3 | T68 R72 | T68-N70 VanDerWaalsContact C-N 3.33Å; T68-N70 PolarHBondContact O-N 2.92Å; N70-R72 VanDerWaalsContact C-N 3.32Å; N70-R72 PolarHBondContact O-N 2.89Å; N70-R72 VanDerWaalsContact O-N 3.1Å |
| 71 | S | 42.6 | Very low | 41.9 | Very low | 99 Ų | 99 | 142 Ų | 142 | 69% | 0.692 | 77% | 0.768 | S | S | * | * | | | trans | -81.3 | 87.6 | 166.2 | 57.4 | 0 | 0 | 0 | 0 | 108.2 | S69 L73 | S69-S71 PolarHBondContact O-N 2.78Å; S71-L73 PolarHBondContact O-N 2.8Å |
| 72 | R | 40.4 | Very low | 42.2 | Very low | 227 Ų | 227 | 142.8 Ų | 142.8 | 86% | 0.857 | 77% | 0.768 | S | S | * | * | | | trans | -62.9 | 106 | 163.9 | -165.9 | 178.2 | -174.7 | -159.9 | 1.6 | 105.6 | N70 V74 | N70-R72 VanDerWaalsContact C-N 3.32Å; N70-R72 PolarHBondContact O-N 2.89Å; N70-R72 VanDerWaalsContact O-N 3.1Å; R72-V74 VanDerWaalsContact C-N 3.27Å; R72-V74 PolarHBondContact O-N 3.01Å |
| 73 | L | 45.4 | Very low | 42.2 | Very low | 154 Ų | 154 | 145.9 Ų | 145.9 | 81% | 0.806 | 77% | 0.768 | S | S | * | * | | | trans | -60 | 95.2 | 171.2 | -75 | 167.5 | 0 | 0 | 0 | 107.4 | S71 L75 | S71-L73 PolarHBondContact O-N 2.8Å; L73-L75 PolarHBondContact O-N 2.93Å |
| 74 | V | 41.8 | Very low | 42.3 | Very low | 124 Ų | 124 | 143.7 Ų | 143.7 | 75% | 0.752 | 76% | 0.76 | S | S | * | * | | | trans | -72.2 | 91 | 168.6 | -179.9 | 0 | 0 | 0 | 0 | 105.4 | R72 P76 | R72-V74 VanDerWaalsContact C-N 3.27Å; R72-V74 PolarHBondContact O-N 3.01Å; V74-P76 WeakPolarHBondContact O-CD 3.42Å |
| 75 | L | 43.1 | Very low | 42.1 | Very low | 142 Ų | 142 | 141.9 Ų | 141.9 | 74% | 0.743 | 76% | 0.756 | S | S | * | * | | | trans | -62.2 | 123.4 | 170.4 | -76.6 | 155.7 | 0 | 0 | 0 | 107.5 | L73 H77 | L73-L75 PolarHBondContact O-N 2.93Å; L75-H77 PolarHBondContact O-N 3.19Å; L75-H77 VanDerWaalsContact O-N 3.16Å |
| 76 | P | 44.4 | Very low | 42.3 | Very low | 104 Ų | 104 | 140.9 Ų | 140.9 | 68% | 0.675 | 75% | 0.754 | S | S | * | * | | | trans | -61.8 | 121.7 | 175.2 | 22.6 | -30.1 | 0 | 0 | 0 | 109.3 | V74 S78 | V74-P76 WeakPolarHBondContact O-CD 3.42Å; P76-S78 PolarHBondContact O-N 3.18Å |
| 77 | H | 46.3 | Very low | 42.4 | Very low | 205 Ų | 205 | 143.7 Ų | 143.7 | 95% | 0.949 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -70.5 | 66.2 | 168.6 | -84.5 | -78.5 | 0 | 0 | 0 | 109.9 | L75 | L75-H77 PolarHBondContact O-N 3.19Å; L75-H77 VanDerWaalsContact O-N 3.16Å |
| 78 | S | 42.4 | Very low | 42.6 | Very low | 89 Ų | 89 | 144.7 Ų | 144.7 | 62% | 0.622 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -156.3 | 127.8 | 169.5 | 55.8 | 0 | 0 | 0 | 0 | 110.3 | P76 | P76-S78 PolarHBondContact O-N 3.18Š|
| 79 | K | 41.6 | Very low | 42.4 | Very low | 199 Ų | 199 | 150.2 Ų | 150.2 | 87% | 0.865 | 76% | 0.763 | S | S | * | * | | | trans | -49.9 | 131.4 | 173.5 | -76.3 | 170.7 | 175.2 | 173.8 | 0 | 109.3 | S81 | K79-S81 PolarHBondContact O-N 3.38Š|
| 80 | P | 44.2 | Very low | 42.4 | Very low | 94 Ų | 94 | 153.3 Ų | 153.3 | 61% | 0.61 | 77% | 0.772 | S | S | * | * | | | trans | -64.6 | 99.8 | 175.1 | 26.1 | -31.9 | 0 | 0 | 0 | 108.6 | F82 | P80-F82 VanDerWaalsContact C-N 3.32Å; P80-F82 HydrophobicContact CB-CD2 4.3Å; P80-F82 HydrophobicContact CB-CE1 4.18Å; P80-F82 HydrophobicContact CB-CE2 3.76Å; P80-F82 HydrophobicContact CB-CZ 3.7Å; P80-F82 HydrophobicContact CG-CE2 3.74Å; P80-F82 HydrophobicContact CG-CZ 3.85Å; P80-F82 WeakPolarHBondContact O-CD2 3.33Å; P80-F82 PolarHBondContact O-N 2.92Å; P80-F82 VanDerWaalsContact O-N 3.14Å |
| 81 | S | 41.6 | Very low | 42.1 | Very low | 96 Ų | 96 | 153.6 Ų | 153.6 | 67% | 0.671 | 77% | 0.77 | S | S | * | * | | | trans | -74 | 93.8 | 162.2 | 156.2 | 0 | 0 | 0 | 0 | 106 | K79 R83 | K79-S81 PolarHBondContact O-N 3.38Å; S81-R83 PolarHBondContact O-N 2.7Å |
| 82 | F | 41 | Very low | 42.3 | Very low | 176 Ų | 176 | 156 Ų | 156 | 77% | 0.772 | 77% | 0.774 | S | S | * | * | | | trans | -67.6 | 86 | 170.7 | -58.2 | -82.2 | 0 | 0 | 0 | 108.7 | P80 | P80-F82 VanDerWaalsContact C-N 3.32Å; P80-F82 HydrophobicContact CB-CD2 4.3Å; P80-F82 HydrophobicContact CB-CE1 4.18Å; P80-F82 HydrophobicContact CB-CE2 3.76Å; P80-F82 HydrophobicContact CB-CZ 3.7Å; P80-F82 HydrophobicContact CG-CE2 3.74Å; P80-F82 HydrophobicContact CG-CZ 3.85Å; P80-F82 WeakPolarHBondContact O-CD2 3.33Å; P80-F82 PolarHBondContact O-N 2.92Å; P80-F82 VanDerWaalsContact O-N 3.14Å |
| 83 | R | 39.7 | Very low | 42.5 | Very low | 215 Ų | 215 | 148 Ų | 148 | 81% | 0.811 | 76% | 0.757 | S | S | * | * | | | trans | -90.1 | 105.1 | 153.8 | -68.3 | -159.6 | 179.6 | -161.1 | 1 | 105.5 | S81 N85 | S81-R83 PolarHBondContact O-N 2.7Å; R83-N85 PolarHBondContact O-N 2.9Å |
| 84 | V | 41.8 | Very low | 42.2 | Very low | 108 Ų | 108 | 146.5 Ų | 146.5 | 66% | 0.655 | 75% | 0.75 | S | S | * | * | | | trans | -67.1 | 87.5 | 173.7 | -179.4 | 0 | 0 | 0 | 0 | 106.7 | | |
| 85 | N | 40.6 | Very low | 42.4 | Very low | 142 Ų | 142 | 145.5 Ų | 145.5 | 76% | 0.759 | 75% | 0.748 | S | S | * | * | | | trans | -80.6 | 114.5 | 167.1 | -107.5 | -0.6 | 0 | 0 | 0 | 106.9 | R83 E87 | R83-N85 PolarHBondContact O-N 2.9Å; N85-E87 PolarHBondContact O-N 2.76Å; N85-E87 VanDerWaalsContact O-N 3.12Å |
| 86 | H | 43.4 | Very low | 42.7 | Very low | 175 Ų | 175 | 147 Ų | 147 | 81% | 0.81 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | 12.5 | -172.4 | -92.5 | -62 | 0 | 0 | 0 | 115.2 | | |
| 87 | E | 39.9 | Very low | 42.7 | Very low | 173 Ų | 173 | 148.6 Ų | 148.6 | 81% | 0.808 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.6 | -9.6 | -166.2 | -60 | -157 | 156.5 | 0 | 0 | 115.8 | N85 R89 | N85-E87 PolarHBondContact O-N 2.76Å; N85-E87 VanDerWaalsContact O-N 3.12Å; E87-R89 VanDerWaalsContact C-N 3.28Å; E87-R89 PolarHBondContact O-N 3.47Å |
| 88 | D | 43.6 | Very low | 42.6 | Very low | 145 Ų | 145 | 142.2 Ų | 142.2 | 78% | 0.775 | 73% | 0.729 | S | S | * | * | | | trans | -83.4 | 83.7 | 171.6 | -65 | -27 | 0 | 0 | 0 | 108.8 | L90 | D88-L90 PolarHBondContact O-N 2.96Š|
| 89 | R | 37.6 | Very low | 43.1 | Very low | 233 Ų | 233 | 144 Ų | 144 | 88% | 0.879 | 74% | 0.739 | S | S | * | * | | | trans | -38.9 | 107.1 | 160.6 | -84.1 | 174.9 | 149.7 | 166.7 | -5.9 | 108.1 | E87 M91 | E87-R89 VanDerWaalsContact C-N 3.28Å; E87-R89 PolarHBondContact O-N 3.47Å; R89-M91 VanDerWaalsContact C-N 3.28Å; R89-M91 PolarHBondContact O-N 2.84Å |
| 90 | L | 43.7 | Very low | 43.6 | Very low | 162 Ų | 162 | 141.1 Ų | 141.1 | 85% | 0.848 | 73% | 0.733 | S | S | * | * | | | trans | -55.7 | 98 | 170.1 | -66.3 | 169.5 | 0 | 0 | 0 | 106.7 | D88 L92 | D88-L90 PolarHBondContact O-N 2.96Å; L90-L92 PolarHBondContact O-N 3.1Å |
| 91 | M | 38.3 | Very low | 43.7 | Very low | 164 Ų | 164 | 139.7 Ų | 139.7 | 81% | 0.808 | 73% | 0.729 | S | S | * | * | | | trans | -63.5 | 93.1 | 162.4 | -77.6 | -147.9 | 60.1 | 0 | 0 | 105.5 | R89 A93 | R89-M91 VanDerWaalsContact C-N 3.28Å; R89-M91 PolarHBondContact O-N 2.84Å; M91-A93 PolarHBondContact O-N 2.88Å |
| 92 | L | 47 | Very low | 43.8 | Very low | 148 Ų | 148 | 143.1 Ų | 143.1 | 78% | 0.775 | 73% | 0.734 | S | S | * | * | | | trans | -55.7 | 110.6 | 164.3 | -72.9 | 170.7 | 0 | 0 | 0 | 104.9 | L90 D94 | L90-L92 PolarHBondContact O-N 3.1Å; L92-D94 PolarHBondContact O-N 3.16Å |
| 93 | A | 45.6 | Very low | 44.1 | Very low | 60 Ų | 60 | 140.6 Ų | 140.6 | 50% | 0.496 | 74% | 0.736 | S | S | . | * | | | trans | -53.3 | 114.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | M91 S95 | M91-A93 PolarHBondContact O-N 2.88Å; A93-S95 PolarHBondContact O-N 3.11Å |
| 94 | D | 39.1 | Very low | 44.8 | Very low | 123 Ų | 123 | 134.5 Ų | 134.5 | 66% | 0.658 | 73% | 0.731 | S | S | * | * | G | 310 helix | trans | -62.1 | 7.6 | 175.2 | -72.6 | -44.5 | 0 | 0 | 0 | 112.9 | L92 F96 L97 | L92-D94 PolarHBondContact O-N 3.16Å; D94-F96 PolarHBondContact O-N 2.88Å; D94-L97 PolarHBondContact O-N 3.13Å |
| 95 | S | 46.7 | Very low | 45.5 | Very low | 103 Ų | 103 | 133.5 Ų | 133.5 | 72% | 0.72 | 73% | 0.734 | S | S | * | * | G | 310 helix | trans | -63.1 | -8.4 | 178.5 | -56.7 | 0 | 0 | 0 | 0 | 114.6 | A93 | A93-S95 PolarHBondContact O-N 3.11Š|
| 96 | F | 49.3 | Very low | 46.2 | Very low | 172 Ų | 172 | 133.2 Ų | 133.2 | 75% | 0.754 | 74% | 0.737 | S | S | * | * | G | 310 helix | trans | -90.7 | -4.5 | 177.5 | -62.7 | -73.1 | 0 | 0 | 0 | 114.2 | D94 S98 | D94-F96 PolarHBondContact O-N 2.88Å; F96-S98 VanDerWaalsContact C-N 3.34Å; F96-S98 PolarHBondContact O-N 3.27Å |
| 97 | L | 44.4 | Very low | 47.2 | Very low | 138 Ų | 138 | 135.7 Ų | 135.7 | 72% | 0.723 | 74% | 0.74 | S | S | * | * | | | trans | -97.5 | 55.6 | 175.3 | -58.7 | 178.1 | 0 | 0 | 0 | 110.5 | D94 P99 | D94-L97 PolarHBondContact O-N 3.13Å; L97-P99 WeakPolarHBondContact O-CD 3.34Å |
| 98 | S | 44.1 | Very low | 48.8 | Very low | 71 Ų | 71 | 137.1 Ų | 137.1 | 50% | 0.497 | 74% | 0.743 | S | S | . | * | | | trans | -68.6 | 119.6 | 158 | -173.5 | 0 | 0 | 0 | 0 | 106.8 | F96 D100 A101 | F96-S98 VanDerWaalsContact C-N 3.34Å; F96-S98 PolarHBondContact O-N 3.27Å; S98-D100 PolarHBondContact O-N 2.79Å; S98-A101 VanDerWaalsContact O-CB 3.29Å; S98-A101 WeakPolarHBondContact O-CB 3.41Å; S98-A101 PolarHBondContact O-N 2.98Å |
| 99 | P | 52.1 | Low | 50 | Low | 128 Ų | 128 | 138.2 Ų | 138.2 | 83% | 0.831 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.5 | -17.6 | -176.6 | 22.1 | -31.3 | 0 | 0 | 0 | 113.2 | L97 | L97-P99 WeakPolarHBondContact O-CD 3.34Š|
| 100 | D | 51.2 | Low | 51.5 | Low | 137 Ų | 137 | 138.8 Ų | 138.8 | 73% | 0.733 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.8 | 3.6 | 176 | -69.1 | -29.8 | 0 | 0 | 0 | 113.8 | S98 H102 | S98-D100 PolarHBondContact O-N 2.79Å; D100-H102 VanDerWaalsContact C-N 3.27Å; D100-H102 PolarHBondContact O-N 2.84Å |
| 101 | A | 47.6 | Very low | 52.6 | Low | 64 Ų | 64 | 134 Ų | 134 | 53% | 0.529 | 74% | 0.74 | S | S | . | * | | | trans | -69.5 | 90.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | S98 | S98-A101 VanDerWaalsContact O-CB 3.29Å; S98-A101 WeakPolarHBondContact O-CB 3.41Å; S98-A101 PolarHBondContact O-N 2.98Å |
| 102 | H | 43.1 | Very low | 54 | Low | 168 Ų | 168 | 137.1 Ų | 137.1 | 78% | 0.778 | 74% | 0.743 | S | S | * | * | | | trans | -40.8 | 131.7 | 171 | -69.9 | -62.8 | 0 | 0 | 0 | 109.2 | D100 A104 | D100-H102 VanDerWaalsContact C-N 3.27Å; D100-H102 PolarHBondContact O-N 2.84Å; H102-A104 PolarHBondContact O-N 3.05Å |
| 103 | P | 48.2 | Very low | 54.9 | Low | 124 Ų | 124 | 140.6 Ų | 140.6 | 81% | 0.805 | 75% | 0.746 | S | S | * | * | | | trans | -56.3 | 103.6 | -177.7 | 21.6 | -31.7 | 0 | 0 | 0 | 107.9 | A105 | P103-A105 PolarHBondContact O-N 2.99Š|
| 104 | A | 54 | Low | 55.9 | Low | 86 Ų | 86 | 148.8 Ų | 148.8 | 71% | 0.711 | 76% | 0.764 | S | S | * | * | | | trans | -56.3 | 110.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 105.6 | H102 V106 | H102-A104 PolarHBondContact O-N 3.05Å; A104-V106 VanDerWaalsContact O-CG2 3.31Å; A104-V106 WeakPolarHBondContact O-CG2 3.46Å; A104-V106 PolarHBondContact O-N 3.08Å |
| 105 | A | 55.5 | Low | 57.2 | Low | 87 Ų | 87 | 154.7 Ų | 154.7 | 72% | 0.719 | 78% | 0.777 | S | S | * | * | | | trans | -55.7 | 103.7 | -171.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | P103 R107 | P103-A105 PolarHBondContact O-N 2.99Å; A105-R107 PolarHBondContact O-N 2.91Å |
| 106 | V | 55.9 | Low | 57.8 | Low | 137 Ų | 137 | 151.9 Ų | 151.9 | 83% | 0.83 | 76% | 0.764 | S | S | * | * | | | trans | -72.3 | 87.5 | -177.3 | -171.9 | 0 | 0 | 0 | 0 | 106.9 | A104 K108 | A104-V106 VanDerWaalsContact O-CG2 3.31Å; A104-V106 WeakPolarHBondContact O-CG2 3.46Å; A104-V106 PolarHBondContact O-N 3.08Å; V106-K108 PolarHBondContact O-N 2.97Å; V106-K108 VanDerWaalsContact O-N 3.08Å |
| 107 | R | 64.8 | Low | 58.2 | Low | 227 Ų | 227 | 153.8 Ų | 153.8 | 86% | 0.857 | 77% | 0.772 | S | S | * | * | | | trans | -68.4 | 108.5 | 174.5 | -71.9 | -171.4 | -64.2 | -128.8 | -0.7 | 107.9 | A105 L109 | A105-R107 PolarHBondContact O-N 2.91Å; R107-L109 PolarHBondContact O-N 3.08Å |
| 108 | K | 73.8 | Confident | 58.8 | Low | 202 Ų | 202 | 154.1 Ų | 154.1 | 88% | 0.878 | 77% | 0.77 | S | S | * | * | | | trans | -61.9 | 109.6 | 169.8 | -71.3 | -177.9 | -179.9 | 177.8 | 0 | 108.5 | V106 R110 | V106-K108 PolarHBondContact O-N 2.97Å; V106-K108 VanDerWaalsContact O-N 3.08Å; K108-R110 PolarHBondContact O-N 3.09Å; K108-R110 VanDerWaalsContact O-N 3.08Å |
| 109 | L | 67.1 | Low | 59.2 | Low | 169 Ų | 169 | 158 Ų | 158 | 89% | 0.885 | 79% | 0.786 | S | S | * | * | | | trans | -63.3 | 111.2 | 168.3 | -71.5 | 170.3 | 0 | 0 | 0 | 107.9 | R107 G111 | R107-L109 PolarHBondContact O-N 3.08Å; L109-G111 VanDerWaalsContact C-N 3.31Å; L109-G111 PolarHBondContact O-N 3.29Å |
| 110 | R | 69.5 | Low | 59.3 | Low | 245 Ų | 245 | 157 Ų | 157 | 93% | 0.925 | 77% | 0.773 | S | S | * | * | | | trans | -67.2 | 95.5 | 169.9 | -177.8 | -179.1 | 174.3 | -158.5 | 0.9 | 107.7 | K108 R112 | K108-R110 PolarHBondContact O-N 3.09Å; K108-R110 VanDerWaalsContact O-N 3.08Å; R110-R112 PolarHBondContact O-N 2.87Å; R110-R112 VanDerWaalsContact O-N 3.13Å |
| 111 | G | 66.3 | Low | 59.4 | Low | 62 Ų | 62 | 155.4 Ų | 155.4 | 64% | 0.639 | 77% | 0.772 | S | S | * | * | | | trans | -55.5 | 118.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110 | L109 R113 | L109-G111 VanDerWaalsContact C-N 3.31Å; L109-G111 PolarHBondContact O-N 3.29Å; G111-R113 PolarHBondContact O-N 2.89Å |
| 112 | R | 69 | Low | 59.7 | Low | 228 Ų | 228 | 158.9 Ų | 158.9 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | | | trans | -65.2 | 99.7 | 170.1 | 179.3 | 176.9 | 176.3 | -120.5 | 2.7 | 107.5 | R110 R114 | R110-R112 PolarHBondContact O-N 2.87Å; R110-R112 VanDerWaalsContact O-N 3.13Å; R112-R114 PolarHBondContact O-N 3.3Å |
| 113 | R | 66 | Low | 60.1 | Low | 222 Ų | 222 | 154 Ų | 154 | 84% | 0.838 | 77% | 0.766 | S | S | * | * | | | trans | -54 | 114 | 170.4 | -77.4 | 178.8 | 72.3 | -179.7 | 2.6 | 107.6 | G111 R115 | G111-R113 PolarHBondContact O-N 2.89Å; R113-R115 PolarHBondContact O-N 2.95Å; R113-R115 VanDerWaalsContact O-N 3.08Å |
| 114 | R | 67 | Low | 60.4 | Low | 232 Ų | 232 | 152.6 Ų | 152.6 | 88% | 0.875 | 76% | 0.759 | S | S | * | * | | | trans | -57.1 | 118.4 | 163.9 | -73.6 | -176.6 | 161.8 | 179.8 | -4 | 105.5 | R112 G116 | R112-R114 PolarHBondContact O-N 3.3Å; R114-G116 PolarHBondContact O-N 3.04Å |
| 115 | R | 65.8 | Low | 60.3 | Low | 247 Ų | 247 | 153.3 Ų | 153.3 | 93% | 0.932 | 76% | 0.758 | S | S | * | * | | | trans | -69.3 | 68.1 | 163.2 | -68.4 | -176.2 | -178.5 | -177.7 | -0 | 106.7 | R113 K117 | R113-R115 PolarHBondContact O-N 2.95Å; R113-R115 VanDerWaalsContact O-N 3.08Å; R115-K117 PolarHBondContact O-N 3.21Å |
| 116 | G | 58 | Low | 60.5 | Low | 44 Ų | 44 | 156 Ų | 156 | 45% | 0.454 | 76% | 0.759 | S | S | . | * | | | trans | -61.9 | 120.2 | 159.5 | 0 | 0 | 0 | 0 | 0 | 105.1 | R114 Q118 | R114-G116 PolarHBondContact O-N 3.04Å; G116-Q118 PolarHBondContact O-N 3.39Å |
| 117 | K | 59 | Low | 60.7 | Low | 211 Ų | 211 | 153.4 Ų | 153.4 | 92% | 0.917 | 75% | 0.747 | S | S | * | * | | | trans | -64.5 | 73.2 | 158.3 | -77.8 | 176.1 | 171.3 | 179.3 | 0 | 106.2 | R115 | R115-K117 PolarHBondContact O-N 3.21Š|
| 118 | Q | 57 | Low | 60.7 | Low | 145 Ų | 145 | 147.5 Ų | 147.5 | 68% | 0.678 | 74% | 0.738 | S | S | * | * | | | trans | -94.1 | 117.3 | 172.3 | -52.3 | -163.9 | -38.5 | 0 | 0 | 103.5 | G116 L120 | G116-Q118 PolarHBondContact O-N 3.39Å; Q118-L120 HydrophobicContact CB-CD2 4.22Å; Q118-L120 HydrophobicContact CB-CG 4.42Å; Q118-L120 PolarHBondContact O-N 2.77Å |
| 119 | N | 52 | Low | 60.3 | Low | 154 Ų | 154 | 144.2 Ų | 144.2 | 82% | 0.824 | 73% | 0.73 | S | S | * | * | | | trans | -65.8 | 85.6 | 175.2 | -62 | -40.8 | 0 | 0 | 0 | 106.8 | S121 | N119-S121 PolarHBondContact O-N 2.79Š|
| 120 | L | 54.9 | Low | 60.6 | Low | 107 Ų | 107 | 144.7 Ų | 144.7 | 56% | 0.56 | 72% | 0.72 | S | S | * | * | | | trans | -78.3 | 34.1 | 179.6 | -60.9 | 171.6 | 0 | 0 | 0 | 110.9 | Q118 N122 C123 | Q118-L120 HydrophobicContact CB-CD2 4.22Å; Q118-L120 HydrophobicContact CB-CG 4.42Å; Q118-L120 PolarHBondContact O-N 2.77Å; L120-N122 PolarHBondContact O-N 3.04Å; L120-N122 VanDerWaalsContact O-N 3.1Å; L120-C123 WeakPolarHBondContact CD2-SG 3.37Å |
| 121 | S | 52.9 | Low | 60.6 | Low | 102 Ų | 102 | 138 Ų | 138 | 71% | 0.713 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.5 | -12.1 | 179.8 | 54.9 | 0 | 0 | 0 | 0 | 112.7 | N119 | N119-S121 PolarHBondContact O-N 2.79Š|
| 122 | N | 54.7 | Low | 60.9 | Low | 137 Ų | 137 | 137.9 Ų | 137.9 | 73% | 0.733 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.6 | 26.5 | -174.2 | -64.2 | 50.1 | 0 | 0 | 0 | 112.9 | L120 S124 | L120-N122 PolarHBondContact O-N 3.04Å; L120-N122 VanDerWaalsContact O-N 3.1Å; N122-S124 PolarHBondContact O-N 3.12Å |
| 123 | C | 50.5 | Low | 61.3 | Low | 67 Ų | 67 | 137.1 Ų | 137.1 | 45% | 0.453 | 69% | 0.693 | S | S | . | * | | | trans | -80.2 | 77.8 | 170.7 | -71.7 | 0 | 0 | 0 | 0 | 109.9 | L120 S125 I126 | L120-C123 WeakPolarHBondContact CD2-SG 3.37Å; C123-S125 PolarHBondContact O-N 3.27Å; C123-I126 HydrophobicContact CB-CG1 4.45Å |
| 124 | S | 54.5 | Low | 61.8 | Low | 94 Ų | 94 | 130.5 Ų | 130.5 | 66% | 0.657 | 68% | 0.68 | S | S | * | * | | | trans | -47.3 | 122.7 | 155 | -58.4 | 0 | 0 | 0 | 0 | 107.6 | N122 I126 | N122-S124 PolarHBondContact O-N 3.12Å; S124-I126 PolarHBondContact O-N 2.88Å |
| 125 | S | 52.6 | Low | 61.8 | Low | 100 Ų | 100 | 121.6 Ų | 121.6 | 70% | 0.699 | 66% | 0.661 | S | S | * | * | | | trans | 5.7 | 104.2 | 177.9 | 57.6 | 0 | 0 | 0 | 0 | 115.1 | C123 S127 | C123-S125 PolarHBondContact O-N 3.27Å; S125-S127 VanDerWaalsContact C-N 3.26Å; S125-S127 PolarHBondContact O-N 2.63Å |
| 126 | I | 59.5 | Low | 62.2 | Low | 144 Ų | 144 | 115.3 Ų | 115.3 | 74% | 0.738 | 65% | 0.645 | S | S | * | * | | | trans | -63.6 | 92 | 171.4 | -56.8 | 166.5 | 0 | 0 | 0 | 107.2 | C123 S124 | C123-I126 HydrophobicContact CB-CG1 4.45Å; S124-I126 PolarHBondContact O-N 2.88Å |
| 127 | S | 59.7 | Low | 62.6 | Low | 82 Ų | 82 | 118.1 Ų | 118.1 | 57% | 0.573 | 65% | 0.649 | S | S | * | * | | | trans | -62.1 | 138.8 | 169.5 | -56.9 | 0 | 0 | 0 | 0 | 107.7 | S125 L129 | S125-S127 VanDerWaalsContact C-N 3.26Å; S125-S127 PolarHBondContact O-N 2.63Å; S127-L129 PolarHBondContact O-N 3.06Å; S127-L129 VanDerWaalsContact O-N 3.09Å |
| 128 | P | 64.2 | Low | 62.9 | Low | 104 Ų | 104 | 113.2 Ų | 113.2 | 68% | 0.675 | 63% | 0.629 | S | S | * | * | | | trans | -51.5 | 124.9 | 172.7 | -22.2 | 31.2 | 0 | 0 | 0 | 108.5 | R130 | P128-R130 PolarHBondContact O-N 2.94Š|
| 129 | L | 65.2 | Low | 63.1 | Low | 132 Ų | 132 | 112.1 Ų | 112.1 | 69% | 0.691 | 63% | 0.633 | S | S | * | * | | | trans | -58 | 110.6 | 174.3 | -74.6 | 163.1 | 0 | 0 | 0 | 107.5 | S127 L137 | S127-L129 PolarHBondContact O-N 3.06Å; S127-L129 VanDerWaalsContact O-N 3.09Å; L129-L137 HydrophobicContact CB-CD2 3.91Å; L129-L137 HydrophobicContact CD1-CD2 4.29Å; L129-L137 HydrophobicContact CD2-CD2 4.42Å; L129-L137 HydrophobicContact CG-CD2 4.44Å |
| 130 | R | 73.1 | Confident | 63.2 | Low | 179 Ų | 179 | 108.4 Ų | 108.4 | 68% | 0.675 | 62% | 0.619 | S | S | * | * | | | trans | -84 | 135.3 | 175.2 | -64.8 | -77.6 | -173.5 | 142.8 | 1.7 | 107.2 | P128 Q138 | P128-R130 PolarHBondContact O-N 2.94Å; R130-Q138 WeakPolarHBondContact O-CB 3.31Å; R130-Q138 PolarHBondContact O-N 2.83Å |
| 131 | L | 70.6 | Confident | 63 | Low | 106 Ų | 106 | 108.1 Ų | 108.1 | 56% | 0.555 | 63% | 0.626 | S | S | * | * | B | Isolated β-bridge | trans | -82.5 | 141.2 | 164.9 | -61.6 | 175.7 | 0 | 0 | 0 | 107.8 | L136 L137 | L131-L136 CarbonylContact C-O 3.59Å; L131-L136 WeakPolarHBondContact CA-O 3.18Å; L131-L137 HydrophobicContact CD2-CD2 3.71Å; L131-L137 HydrophobicContact CD2-CG 4.12Å |
| 132 | D | 72.4 | Confident | 62.7 | Low | 59 Ų | 59 | 111.6 Ų | 111.6 | 32% | 0.316 | 63% | 0.628 | S | S | . | * | | | trans | -74.5 | 177.9 | 165.4 | 69.2 | 12.6 | 0 | 0 | 0 | 110.6 | S134 G135 L136 Q138 | D132-S134 VanDerWaalsContact CG-OG 3.22Å; D132-S134 PolarHBondContact O-N 2.87Å; D132-S134 VanDerWaalsContact O-N 3.16Å; D132-S134 WeakPolarHBondContact OD1-CA 3.35Å; D132-S134 WeakPolarHBondContact OD1-CB 3.36Å; D132-S134 PolarHBondContact OD1-N 2.88Å; D132-S134 PolarHBondContact OD1-OG 3.18Å; D132-S134 PolarHBondContact OD2-OG 2.98Å; D132-G135 PolarHBondContact O-N 2.73Å; D132-G135 PolarHBondContact OD1-N 3.08Å; D132-G135 VanDerWaalsContact OD1-N 3.11Å; D132-L136 PolarHBondContact N-O 2.74Å; D132-L136 PolarHBondContact OD1-N 3.28Å; D132-Q138 HydrophobicContact CB-CG 3.86Å |
| 133 | Q | 78.2 | Confident | 62 | Low | 212 Ų | 212 | 112.8 Ų | 112.8 | 99% | 0.991 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.5 | -18.9 | 179.6 | -65.1 | -179.5 | 9.5 | 0 | 0 | 113 | G135 | Q133-G135 VanDerWaalsContact C-N 3.27Š|
| 134 | S | 76.6 | Confident | 61.5 | Low | 82 Ų | 82 | 114 Ų | 114 | 57% | 0.573 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.4 | -5.3 | 175.3 | 78.9 | 0 | 0 | 0 | 0 | 112.9 | D132 L136 | D132-S134 VanDerWaalsContact CG-OG 3.22Å; D132-S134 PolarHBondContact O-N 2.87Å; D132-S134 VanDerWaalsContact O-N 3.16Å; D132-S134 WeakPolarHBondContact OD1-CA 3.35Å; D132-S134 WeakPolarHBondContact OD1-CB 3.36Å; D132-S134 PolarHBondContact OD1-N 2.88Å; D132-S134 PolarHBondContact OD1-OG 3.18Å; D132-S134 PolarHBondContact OD2-OG 2.98Å; S134-L136 VanDerWaalsContact C-N 3.28Å; S134-L136 WeakPolarHBondContact OG-CG 3.46Å |
| 135 | G | 67.2 | Low | 60.7 | Low | 45 Ų | 45 | 117.1 Ų | 117.1 | 46% | 0.464 | 65% | 0.649 | S | S | . | * | S | Bend | trans | 78.9 | 12.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | D132 Q133 | D132-G135 PolarHBondContact O-N 2.73Å; D132-G135 PolarHBondContact OD1-N 3.08Å; D132-G135 VanDerWaalsContact OD1-N 3.11Å; Q133-G135 VanDerWaalsContact C-N 3.27Å |
| 136 | L | 73 | Confident | 59.9 | Low | 116 Ų | 116 | 122 Ų | 122 | 61% | 0.607 | 66% | 0.658 | S | S | * | * | | | trans | -92.6 | 147.2 | 175.6 | -63.5 | 178.7 | 0 | 0 | 0 | 110 | L131 D132 S134 Q138 | L131-L136 CarbonylContact C-O 3.59Å; L131-L136 WeakPolarHBondContact CA-O 3.18Å; D132-L136 PolarHBondContact N-O 2.74Å; D132-L136 PolarHBondContact OD1-N 3.28Å; S134-L136 VanDerWaalsContact C-N 3.28Å; S134-L136 WeakPolarHBondContact OG-CG 3.46Å; L136-Q138 PolarHBondContact O-N 2.81Å |
| 137 | L | 67.2 | Low | 58.5 | Low | 103 Ų | 103 | 122.6 Ų | 122.6 | 54% | 0.539 | 66% | 0.661 | S | S | . | * | B | Isolated β-bridge | trans | -63.8 | 123.9 | 179.3 | -70.6 | 166.9 | 0 | 0 | 0 | 109.5 | L129 L131 T139 | L129-L137 HydrophobicContact CB-CD2 3.91Å; L129-L137 HydrophobicContact CD1-CD2 4.29Å; L129-L137 HydrophobicContact CD2-CD2 4.42Å; L129-L137 HydrophobicContact CG-CD2 4.44Å; L131-L137 HydrophobicContact CD2-CD2 3.71Å; L131-L137 HydrophobicContact CD2-CG 4.12Å; L137-T139 VanDerWaalsContact C-N 3.33Å; L137-T139 PolarHBondContact O-N 3.35Å |
| 138 | Q | 64.4 | Low | 57.1 | Low | 107 Ų | 107 | 124.3 Ų | 124.3 | 50% | 0.5 | 67% | 0.672 | S | S | . | * | | | trans | -67.8 | 97.8 | 166.5 | -69.3 | -172.8 | -32.6 | 0 | 0 | 108 | R130 D132 L136 S140 | R130-Q138 WeakPolarHBondContact O-CB 3.31Å; R130-Q138 PolarHBondContact O-N 2.83Å; D132-Q138 HydrophobicContact CB-CG 3.86Å; L136-Q138 PolarHBondContact O-N 2.81Å; Q138-S140 PolarHBondContact O-N 2.82Å; Q138-S140 VanDerWaalsContact O-N 3.1Å |
| 139 | T | 61.5 | Low | 55.8 | Low | 122 Ų | 122 | 125.6 Ų | 125.6 | 75% | 0.748 | 68% | 0.683 | S | S | * | * | | | trans | -72.5 | 99.3 | 162.6 | 56.8 | 0 | 0 | 0 | 0 | 106.2 | L137 S141 | L137-T139 VanDerWaalsContact C-N 3.33Å; L137-T139 PolarHBondContact O-N 3.35Å; T139-S141 VanDerWaalsContact C-N 3.34Å; T139-S141 PolarHBondContact O-N 3.14Å |
| 140 | S | 55 | Low | 54.5 | Low | 76 Ų | 76 | 128.8 Ų | 128.8 | 53% | 0.531 | 72% | 0.717 | S | S | . | * | | | trans | -56.1 | 109.1 | 158.7 | 54.9 | 0 | 0 | 0 | 0 | 105.7 | Q138 F142 | Q138-S140 PolarHBondContact O-N 2.82Å; Q138-S140 VanDerWaalsContact O-N 3.1Å; S140-F142 VanDerWaalsContact C-N 3.33Å; S140-F142 VanDerWaalsContact O-CD2 3.31Å; S140-F142 WeakPolarHBondContact O-CD2 3.33Å; S140-F142 PolarHBondContact O-N 2.98Å; S140-F142 WeakPolarHBondContact OG-CE2 3.29Å |
| 141 | S | 48.9 | Very low | 53.6 | Low | 102 Ų | 102 | 126.3 Ų | 126.3 | 71% | 0.713 | 72% | 0.719 | S | S | * | * | | | trans | -53.9 | 103.1 | 169 | 38.6 | 0 | 0 | 0 | 0 | 106.6 | T139 E143 | T139-S141 VanDerWaalsContact C-N 3.34Å; T139-S141 PolarHBondContact O-N 3.14Å; S141-E143 PolarHBondContact O-N 2.72Å |
| 142 | F | 46.9 | Very low | 52.7 | Low | 174 Ų | 174 | 127.3 Ų | 127.3 | 76% | 0.763 | 73% | 0.727 | S | S | * | * | | | trans | -70.3 | 86.3 | 161.5 | -69.6 | -85.3 | 0 | 0 | 0 | 104.9 | S140 S144 | S140-F142 VanDerWaalsContact C-N 3.33Å; S140-F142 VanDerWaalsContact O-CD2 3.31Å; S140-F142 WeakPolarHBondContact O-CD2 3.33Å; S140-F142 PolarHBondContact O-N 2.98Å; S140-F142 WeakPolarHBondContact OG-CE2 3.29Å; F142-S144 PolarHBondContact O-N 2.7Å |
| 143 | E | 41.5 | Very low | 51.6 | Low | 162 Ų | 162 | 131.1 Ų | 131.1 | 76% | 0.757 | 75% | 0.75 | S | S | * | * | | | trans | -55.1 | 129.1 | 173 | -143 | 173.6 | 173.4 | 0 | 0 | 107.7 | S141 N145 | S141-E143 PolarHBondContact O-N 2.72Å; E143-N145 PolarHBondContact O-N 2.97Å |
| 144 | S | 39.4 | Very low | 50 | Low | 94 Ų | 94 | 126.4 Ų | 126.4 | 66% | 0.657 | 74% | 0.736 | S | S | * | * | | | trans | -60.8 | 91.2 | -175.7 | 47.9 | 0 | 0 | 0 | 0 | 111.8 | F142 F146 | F142-S144 PolarHBondContact O-N 2.7Å; S144-F146 PolarHBondContact O-N 2.86Å |
| 145 | N | 38.1 | Very low | 48.3 | Very low | 159 Ų | 159 | 129.1 Ų | 129.1 | 85% | 0.85 | 75% | 0.746 | S | S | * | * | | | trans | -78.5 | 42.9 | 166.9 | -74.1 | -14 | 0 | 0 | 0 | 112 | E143 | E143-N145 PolarHBondContact O-N 2.97Š|
| 146 | F | 34.5 | Very low | 47.1 | Very low | 203 Ų | 203 | 134.7 Ų | 134.7 | 89% | 0.89 | 77% | 0.765 | S | S | * | * | | | trans | -126.4 | 47.5 | -179 | -111.1 | -79.3 | 0 | 0 | 0 | 111.6 | S144 | S144-F146 PolarHBondContact O-N 2.86Š|
| 147 | L | 31.3 | Very low | 45.2 | Very low | 155 Ų | 155 | 136.1 Ų | 136.1 | 81% | 0.812 | 78% | 0.776 | S | S | * | * | | | trans | -141.6 | 133.1 | 167.2 | -89.2 | 155.7 | 0 | 0 | 0 | 109 | | |
| 148 | C | 30.6 | Very low | 43.5 | Very low | 119 Ų | 119 | 138.6 Ų | 138.6 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | | | trans | 88.8 | 83.1 | 172.8 | -57.9 | 0 | 0 | 0 | 0 | 117.8 | | |
| 149 | S | 36.3 | Very low | 41.8 | Very low | 130 Ų | 130 | 141.3 Ų | 141.3 | 91% | 0.909 | 82% | 0.819 | S | S | * | * | | | | -157.8 | 98.6 | 123.1 | -66.5 | 0 | 0 | 0 | 0 | 107.5 | | |
| 150 | S | 37.3 | Very low | 40 | Very low | 199 Ų | 199 | 143 Ų | 143 | 100% | 1.392 | 83% | 0.825 | S | S | * | * | | | trans | -90.3 | 0 | 161.6 | -61.2 | 0 | 0 | 0 | 0 | 108.8 | | |