| 1 | M | 44.1 | Very low | 69.3 | Low | 236 Ų | 236 | 134.8 Ų | 134.8 | 100% | 1.163 | 77% | 0.769 | S | S | * | * | | | | 0 | 105.2 | 0 | -78.5 | 155.2 | 161 | 0 | 0 | 107.4 | | |
| 2 | A | 62 | Low | 70.5 | Confident | 82 Ų | 82 | 135.3 Ų | 135.3 | 68% | 0.678 | 78% | 0.781 | S | S | * | * | | | trans | -112.3 | 43.6 | -174.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | D4 L5 | A2-D4 PolarHBondContact O-N 2.98Å; A2-D4 VanDerWaalsContact C-N 3.3Å; A2-L5 HydrophobicContact CB-CD1 4.37Å |
| 3 | R | 61.6 | Low | 71.4 | Confident | 233 Ų | 233 | 131.2 Ų | 131.2 | 88% | 0.879 | 79% | 0.786 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.7 | 4.9 | -169.8 | -62.6 | -169.6 | 116.7 | 175.1 | 1.6 | 114.2 | | |
| 4 | D | 59.7 | Low | 72 | Confident | 149 Ų | 149 | 130.7 Ų | 130.7 | 80% | 0.797 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.9 | 4.9 | -171.2 | -51.7 | -42.8 | 0 | 0 | 0 | 114.1 | A2 | A2-D4 PolarHBondContact O-N 2.98Å; A2-D4 VanDerWaalsContact C-N 3.3Å |
| 5 | L | 63.6 | Low | 72.4 | Confident | 147 Ų | 147 | 134.9 Ų | 134.9 | 77% | 0.77 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -85.4 | -7.3 | -171.1 | -82.8 | 80.6 | 0 | 0 | 0 | 114.9 | A2 | A2-L5 HydrophobicContact CB-CD1 4.37Š|
| 6 | I | 71.5 | Confident | 72.3 | Confident | 162 Ų | 162 | 129.4 Ų | 129.4 | 83% | 0.831 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -128.4 | 110.4 | 178.8 | -53.7 | 176.4 | 0 | 0 | 0 | 108 | | |
| 7 | G | 76.3 | Confident | 71.7 | Confident | 57 Ų | 57 | 137.1 Ų | 137.1 | 59% | 0.588 | 76% | 0.763 | S | S | * | * | | | trans | -64.7 | -177.6 | 179 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 8 | P | 79.4 | Confident | 71.1 | Confident | 128 Ų | 128 | 133.1 Ų | 133.1 | 83% | 0.831 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -54.3 | 146.6 | -179.7 | 23.7 | -34.2 | 0 | 0 | 0 | 111.9 | | |
| 9 | A | 80.3 | Confident | 70.3 | Confident | 102 Ų | 102 | 132.3 Ų | 132.3 | 84% | 0.843 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 141.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 10 | L | 80.5 | Confident | 69.4 | Low | 102 Ų | 102 | 130.6 Ų | 130.6 | 53% | 0.534 | 76% | 0.759 | S | S | . | * | P | Polyproline II helix | trans | -74.9 | 144.6 | 179.8 | -63.7 | 163.6 | 0 | 0 | 0 | 110.5 | F14 A16 | L10-F14 HydrophobicContact CG-CG 4.48Å; L10-F14 HydrophobicContact CG-CE1 4.23Å; L10-F14 HydrophobicContact CG-CD1 3.91Å; L10-F14 HydrophobicContact CD2-CZ 4.12Å; L10-F14 HydrophobicContact CD2-CG 4.17Å; L10-F14 HydrophobicContact CD2-CE1 3.66Å; L10-F14 HydrophobicContact CD1-CE1 3.78Å; L10-F14 HydrophobicContact CB-CB 4Å; L10-F14 HydrophobicContact CB-CD1 3.95Å; L10-F14 HydrophobicContact CB-CG 4.12Å; L10-F14 HydrophobicContact CD1-CD1 3.54Å; L10-F14 HydrophobicContact CD2-CD1 3.71Å; L10-A16 HydrophobicContact CD1-CB 4.05Å |
| 11 | P | 83.8 | Confident | 68.6 | Low | 85 Ų | 85 | 134 Ų | 134 | 55% | 0.552 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -57 | 150.4 | 175.8 | -24.3 | 33.4 | 0 | 0 | 0 | 112.5 | G13 F14 | P11-G13 PolarHBondContact O-N 3.17Å; P11-F14 VanDerWaalsContact O-CB 3.22Å; P11-F14 WeakPolarHBondContact O-CB 3.33Å; P11-F14 PolarHBondContact O-N 3.18Å |
| 12 | P | 83.1 | Confident | 69 | Low | 140 Ų | 140 | 130 Ų | 130 | 91% | 0.909 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57 | 133.7 | 172.7 | 25.3 | -33.6 | 0 | 0 | 0 | 110 | | |
| 13 | G | 82.2 | Confident | 68.6 | Low | 82 Ų | 82 | 135.3 Ų | 135.3 | 85% | 0.845 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 90.8 | -5.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | P11 K15 | P11-G13 PolarHBondContact O-N 3.17Å; G13-K15 PolarHBondContact O-N 3.25Å |
| 14 | F | 80.1 | Confident | 68.4 | Low | 125 Ų | 125 | 133.2 Ų | 133.2 | 55% | 0.548 | 76% | 0.762 | S | S | . | * | | | trans | -78.8 | 112 | 173.9 | -167.8 | -82.7 | 0 | 0 | 0 | 110.8 | L10 P11 A16 | L10-F14 HydrophobicContact CG-CG 4.48Å; L10-F14 HydrophobicContact CG-CE1 4.23Å; L10-F14 HydrophobicContact CG-CD1 3.91Å; L10-F14 HydrophobicContact CD2-CZ 4.12Å; L10-F14 HydrophobicContact CD2-CG 4.17Å; L10-F14 HydrophobicContact CD2-CE1 3.66Å; L10-F14 HydrophobicContact CD1-CE1 3.78Å; L10-F14 HydrophobicContact CB-CB 4Å; L10-F14 HydrophobicContact CB-CD1 3.95Å; L10-F14 HydrophobicContact CB-CG 4.12Å; L10-F14 HydrophobicContact CD1-CD1 3.54Å; L10-F14 HydrophobicContact CD2-CD1 3.71Å; P11-F14 VanDerWaalsContact O-CB 3.22Å; P11-F14 WeakPolarHBondContact O-CB 3.33Å; P11-F14 PolarHBondContact O-N 3.18Å; F14-A16 PolarHBondContact O-N 2.92Å |
| 15 | K | 78.4 | Confident | 68.1 | Low | 194 Ų | 194 | 136.5 Ų | 136.5 | 84% | 0.843 | 76% | 0.764 | S | S | * | * | | | trans | -82.4 | 105.1 | 172.3 | -65.2 | -86.2 | -175.1 | 168.4 | 0 | 108.2 | G13 R17 | G13-K15 PolarHBondContact O-N 3.25Å; K15-R17 PolarHBondContact O-N 2.64Å |
| 16 | A | 70.8 | Confident | 67.4 | Low | 46 Ų | 46 | 136.2 Ų | 136.2 | 38% | 0.38 | 76% | 0.763 | S | S | . | * | | | trans | -63.3 | 110.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | L10 F14 G18 | L10-A16 HydrophobicContact CD1-CB 4.05Å; F14-A16 PolarHBondContact O-N 2.92Å; A16-G18 PolarHBondContact O-N 3.01Å |
| 17 | R | 61.3 | Low | 66.8 | Low | 260 Ų | 260 | 133.6 Ų | 133.6 | 98% | 0.981 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.2 | 59.4 | 177.6 | -171.2 | -174 | 159.2 | -150.3 | -7.5 | 110.2 | K15 | K15-R17 PolarHBondContact O-N 2.64Š|
| 18 | G | 60.3 | Low | 65.3 | Low | 66 Ų | 66 | 134.9 Ų | 134.9 | 68% | 0.68 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -168.2 | -3.6 | -174.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | A16 | A16-G18 PolarHBondContact O-N 3.01Š|
| 19 | T | 56.8 | Low | 64.2 | Low | 118 Ų | 118 | 135.2 Ų | 135.2 | 72% | 0.724 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -144.9 | 115.6 | 176.2 | 50 | 0 | 0 | 0 | 0 | 110.8 | | |
| 20 | A | 51.8 | Low | 62.9 | Low | 98 Ų | 98 | 133.1 Ų | 133.1 | 81% | 0.81 | 75% | 0.747 | S | S | * | * | S | Bend | trans | 81 | 49 | 164.5 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 21 | E | 53.1 | Low | 61.4 | Low | 201 Ų | 201 | 136.8 Ų | 136.8 | 94% | 0.939 | 76% | 0.759 | S | S | * | * | | | trans | -173.1 | 62.8 | 140.5 | -83.8 | -117 | 127.8 | 0 | 0 | 107.3 | | |
| 22 | D | 53.3 | Low | 60.2 | Low | 154 Ų | 154 | 143.2 Ų | 143.2 | 82% | 0.824 | 77% | 0.772 | S | S | * | * | | | trans | -107.8 | 66.4 | 174.2 | -173.4 | 62.3 | 0 | 0 | 0 | 108.2 | | |
| 23 | E | 53.8 | Low | 58.9 | Low | 193 Ų | 193 | 146.4 Ų | 146.4 | 90% | 0.902 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -142.5 | 18.6 | 177 | -127.8 | 158.8 | 142.2 | 0 | 0 | 114.7 | | |
| 24 | E | 56.3 | Low | 57.8 | Low | 188 Ų | 188 | 152.5 Ų | 152.5 | 88% | 0.879 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -162.6 | 68.6 | 163.7 | -156.1 | -164.9 | 128.9 | 0 | 0 | 113.8 | | |
| 25 | R | 54.3 | Low | 56.6 | Low | 219 Ų | 219 | 154 Ų | 154 | 83% | 0.826 | 78% | 0.776 | S | S | * | * | | | trans | -160.3 | 94.1 | 146.5 | -132.7 | 164.1 | 167.1 | -88.7 | -3.8 | 114.6 | | |
| 26 | D | 47.8 | Very low | 55.7 | Low | 141 Ų | 141 | 156 Ų | 156 | 75% | 0.754 | 78% | 0.778 | S | S | * | * | | | trans | -39.9 | 133.5 | 157.1 | -175.5 | -94.9 | 0 | 0 | 0 | 112 | S28 | D26-S28 PolarHBondContact O-N 2.76Š|
| 27 | P | 58.9 | Low | 54.3 | Low | 107 Ų | 107 | 159.1 Ų | 159.1 | 70% | 0.695 | 80% | 0.796 | S | S | * | * | | | trans | -88.8 | 99.2 | -168.3 | 34.8 | -31.7 | 0 | 0 | 0 | 111 | P29 | P27-P29 WeakPolarHBondContact O-CD 3.31Š|
| 28 | S | 45.7 | Very low | 54.4 | Low | 83 Ų | 83 | 152.1 Ų | 152.1 | 58% | 0.58 | 79% | 0.785 | S | S | * | * | | | trans | -102.6 | 108.2 | 163.1 | -168.5 | 0 | 0 | 0 | 0 | 111 | D26 G30 | D26-S28 PolarHBondContact O-N 2.76Å; S28-G30 PolarHBondContact O-N 3.48Å |
| 29 | P | 55.6 | Low | 54.3 | Low | 136 Ų | 136 | 155.2 Ų | 155.2 | 88% | 0.883 | 79% | 0.793 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.5 | 70.8 | 178 | 35.2 | -32.5 | 0 | 0 | 0 | 108.9 | P27 | P27-P29 WeakPolarHBondContact O-CD 3.31Š|
| 30 | G | 53.3 | Low | 54.3 | Low | 58 Ų | 58 | 152.3 Ų | 152.3 | 60% | 0.598 | 79% | 0.786 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -149.4 | -5.2 | -169 | 0 | 0 | 0 | 0 | 0 | 118.2 | S28 | S28-G30 PolarHBondContact O-N 3.48Š|
| 31 | K | 49.4 | Very low | 54.6 | Low | 179 Ų | 179 | 153.7 Ų | 153.7 | 78% | 0.778 | 79% | 0.787 | S | S | * | * | | | trans | -121.1 | 77.1 | -173.4 | -54.7 | -164.6 | -170.4 | -159.8 | 0 | 111.7 | R33 | K31-R33 PolarHBondContact O-N 3.07Š|
| 32 | R | 57.6 | Low | 54.5 | Low | 220 Ų | 220 | 148 Ų | 148 | 83% | 0.83 | 77% | 0.769 | S | S | * | * | | | trans | -60.3 | 74.9 | 155.5 | -75.2 | 168.9 | 62 | -146.9 | 4.2 | 109.3 | R34 | R32-R34 PolarHBondContact O-N 2.96Š|
| 33 | R | 55.5 | Low | 54.8 | Low | 206 Ų | 206 | 147.4 Ų | 147.4 | 78% | 0.777 | 77% | 0.772 | S | S | * | * | | | trans | -79.4 | 101.3 | 159.4 | -81 | 176.3 | 66.8 | 178.1 | -0.4 | 105.9 | K31 L35 | K31-R33 PolarHBondContact O-N 3.07Å; R33-L35 VanDerWaalsContact C-N 3.27Å; R33-L35 PolarHBondContact O-N 2.9Å |
| 34 | R | 60.6 | Low | 54.8 | Low | 210 Ų | 210 | 145.7 Ų | 145.7 | 79% | 0.792 | 76% | 0.763 | S | S | * | * | | | trans | -52.2 | 100.4 | 160.8 | -74.5 | -176.4 | 177.6 | -86.1 | 5.4 | 106.4 | R32 R36 | R32-R34 PolarHBondContact O-N 2.96Å; R34-R36 PolarHBondContact O-N 2.88Å |
| 35 | L | 53.7 | Low | 54.6 | Low | 157 Ų | 157 | 141.6 Ų | 141.6 | 82% | 0.822 | 76% | 0.755 | S | S | * | * | | | trans | -64.1 | 96.1 | 165.7 | -70 | 168.2 | 0 | 0 | 0 | 105 | R33 C37 | R33-L35 VanDerWaalsContact C-N 3.27Å; R33-L35 PolarHBondContact O-N 2.9Å; L35-C37 PolarHBondContact O-N 3.03Å |
| 36 | R | 59.2 | Low | 54.6 | Low | 235 Ų | 235 | 139.8 Ų | 139.8 | 89% | 0.887 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 120.9 | 161.4 | -83.2 | -174.4 | -95.4 | -119.9 | 1 | 105.6 | R34 | R34-R36 PolarHBondContact O-N 2.88Š|
| 37 | C | 42.6 | Very low | 54.7 | Low | 113 Ų | 113 | 137.9 Ų | 137.9 | 76% | 0.764 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -54 | 133.8 | 171 | -62 | 0 | 0 | 0 | 0 | 108.3 | L35 | L35-C37 PolarHBondContact O-N 3.03Š|
| 38 | P | 62.1 | Low | 54.3 | Low | 113 Ų | 113 | 135.4 Ų | 135.4 | 73% | 0.734 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 141.9 | 168.3 | 26.5 | -31.4 | 0 | 0 | 0 | 108.5 | G40 | P38-G40 PolarHBondContact O-N 3.31Å; P38-G40 VanDerWaalsContact O-N 3.08Å |
| 39 | P | 59.9 | Low | 54.8 | Low | 131 Ų | 131 | 137 Ų | 137 | 85% | 0.851 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 117.3 | 167.5 | 25.7 | -30.6 | 0 | 0 | 0 | 107.3 | | |
| 40 | G | 56.8 | Low | 54.3 | Low | 57 Ų | 57 | 136.5 Ų | 136.5 | 59% | 0.588 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 160 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | P38 S42 | P38-G40 PolarHBondContact O-N 3.31Å; P38-G40 VanDerWaalsContact O-N 3.08Å; G40-S42 PolarHBondContact O-N 3.34Å |
| 41 | P | 57.9 | Low | 54.5 | Low | 126 Ų | 126 | 139 Ų | 139 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -61 | 127.6 | -179.7 | 27.3 | -32.8 | 0 | 0 | 0 | 109 | T43 | P41-T43 PolarHBondContact O-N 3.34Å; P41-T43 VanDerWaalsContact O-N 3.1Å |
| 42 | S | 50 | Low | 54.6 | Low | 82 Ų | 82 | 138.6 Ų | 138.6 | 57% | 0.573 | 78% | 0.78 | S | S | * | * | | | trans | -48.3 | 111.7 | 174.9 | 29.6 | 0 | 0 | 0 | 0 | 110.7 | G40 H44 | G40-S42 PolarHBondContact O-N 3.34Å; S42-H44 PolarHBondContact O-CD2 2.91Å; S42-H44 PolarHBondContact OG-NE2 3.12Å; S42-H44 PolarHBondContact O-N 3.46Å; S42-H44 WeakPolarHBondContact CB-NE2 3.14Å |
| 43 | T | 59.5 | Low | 54.7 | Low | 142 Ų | 142 | 137.3 Ų | 137.3 | 87% | 0.871 | 78% | 0.78 | S | S | * | * | | | trans | -74 | 84.8 | 165 | 45.6 | 0 | 0 | 0 | 0 | 107.8 | P41 S45 | P41-T43 PolarHBondContact O-N 3.34Å; P41-T43 VanDerWaalsContact O-N 3.1Å; T43-S45 PolarHBondContact O-N 2.84Å; T43-S45 VanDerWaalsContact O-N 3.13Å |
| 44 | H | 53.7 | Low | 54.6 | Low | 156 Ų | 156 | 137.2 Ų | 137.2 | 72% | 0.722 | 79% | 0.785 | S | S | * | * | | | trans | -61.2 | 115.4 | 162.7 | -50.7 | -84.1 | 0 | 0 | 0 | 107.5 | S42 | S42-H44 PolarHBondContact O-CD2 2.91Å; S42-H44 PolarHBondContact OG-NE2 3.12Å; S42-H44 PolarHBondContact O-N 3.46Å; S42-H44 WeakPolarHBondContact CB-NE2 3.14Å |
| 45 | S | 52.1 | Low | 54.1 | Low | 103 Ų | 103 | 133.4 Ų | 133.4 | 72% | 0.72 | 79% | 0.785 | S | S | * | * | | | trans | 22.3 | 112.5 | 150.7 | -71 | 0 | 0 | 0 | 0 | 117.8 | T43 | T43-S45 PolarHBondContact O-N 2.84Å; T43-S45 VanDerWaalsContact O-N 3.13Å |
| 46 | L | 54.1 | Low | 54 | Low | 180 Ų | 180 | 129.2 Ų | 129.2 | 94% | 0.942 | 78% | 0.78 | S | S | * | * | | | | -132.6 | 89.2 | 124.5 | -71.4 | 180 | 0 | 0 | 0 | 107.7 | G48 | L46-G48 PolarHBondContact O-N 3.16Š|
| 47 | A | 50.6 | Low | 53.7 | Low | 101 Ų | 101 | 121.4 Ų | 121.4 | 84% | 0.835 | 77% | 0.773 | S | S | * | * | | | trans | -55.3 | 115.6 | 157.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 48 | G | 50.3 | Low | 54.4 | Low | 55 Ų | 55 | 124.8 Ų | 124.8 | 57% | 0.567 | 78% | 0.782 | S | S | * | * | | | trans | -137 | 108.6 | 160.2 | 0 | 0 | 0 | 0 | 0 | 107.5 | L46 C50 | L46-G48 PolarHBondContact O-N 3.16Å; G48-C50 VanDerWaalsContact C-N 3.34Å; G48-C50 PolarHBondContact O-N 3.29Å |
| 49 | P | 56 | Low | 53.9 | Low | 117 Ų | 117 | 122.8 Ų | 122.8 | 76% | 0.76 | 78% | 0.782 | S | S | * | * | | | trans | -77.7 | 91.2 | 173.8 | 31.3 | -29.7 | 0 | 0 | 0 | 107.8 | S51 | P49-S51 PolarHBondContact O-N 3.01Š|
| 50 | C | 45.1 | Very low | 53.6 | Low | 126 Ų | 126 | 120.6 Ų | 120.6 | 85% | 0.851 | 78% | 0.783 | S | S | * | * | | | trans | -72.1 | 85.6 | 165.1 | -70.4 | 0 | 0 | 0 | 0 | 107.8 | G48 L52 | G48-C50 VanDerWaalsContact C-N 3.34Å; G48-C50 PolarHBondContact O-N 3.29Å; C50-L52 VanDerWaalsContact C-N 3.28Å; C50-L52 PolarHBondContact O-N 2.88Å |
| 51 | S | 58 | Low | 53.7 | Low | 111 Ų | 111 | 129 Ų | 129 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | | | trans | -60.6 | 87.8 | 173.3 | -64.2 | 0 | 0 | 0 | 0 | 109.4 | P49 K53 | P49-S51 PolarHBondContact O-N 3.01Å; S51-K53 PolarHBondContact O-N 2.95Å; S51-K53 VanDerWaalsContact O-N 3.12Å |
| 52 | L | 52.2 | Low | 53.5 | Low | 170 Ų | 170 | 134.7 Ų | 134.7 | 89% | 0.89 | 80% | 0.802 | S | S | * | * | | | trans | -79.4 | 97.7 | 168.9 | -159.5 | 73.3 | 0 | 0 | 0 | 108.1 | C50 K54 | C50-L52 VanDerWaalsContact C-N 3.28Å; C50-L52 PolarHBondContact O-N 2.88Å; L52-K54 PolarHBondContact O-N 3.32Å; L52-K54 VanDerWaalsContact O-N 3.07Å |
| 53 | K | 58.3 | Low | 53.7 | Low | 193 Ų | 193 | 136.4 Ų | 136.4 | 84% | 0.839 | 81% | 0.814 | S | S | * | * | | | trans | -42.8 | 109.6 | 171.6 | -168.8 | 167.6 | 170.9 | -170.5 | 0 | 110.2 | S51 V55 | S51-K53 PolarHBondContact O-N 2.95Å; S51-K53 VanDerWaalsContact O-N 3.12Å; K53-V55 VanDerWaalsContact C-N 3.34Å; K53-V55 PolarHBondContact O-N 2.85Å |
| 54 | K | 54.8 | Low | 53.7 | Low | 203 Ų | 203 | 132.9 Ų | 132.9 | 88% | 0.883 | 81% | 0.806 | S | S | * | * | | | trans | -69.5 | 90.5 | 171.4 | -176.3 | 156.9 | -178.3 | 172.8 | 0 | 108.7 | L52 | L52-K54 PolarHBondContact O-N 3.32Å; L52-K54 VanDerWaalsContact O-N 3.07Å |
| 55 | V | 50.1 | Low | 53.7 | Low | 130 Ų | 130 | 133.9 Ų | 133.9 | 79% | 0.788 | 81% | 0.811 | S | S | * | * | | | trans | -79.3 | 121.3 | 163 | 63.6 | 0 | 0 | 0 | 0 | 107.4 | K53 | K53-V55 VanDerWaalsContact C-N 3.34Å; K53-V55 PolarHBondContact O-N 2.85Å |
| 56 | G | 50.9 | Low | 53.7 | Low | 70 Ų | 70 | 140.4 Ų | 140.4 | 72% | 0.722 | 82% | 0.82 | S | S | * | * | | | trans | -61.1 | 144.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 57 | G | 51.8 | Low | 54.2 | Low | 71 Ų | 71 | 135.1 Ų | 135.1 | 73% | 0.732 | 80% | 0.802 | S | S | * | * | | | trans | 176.2 | 92.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 58 | L | 57.8 | Low | 54.5 | Low | 184 Ų | 184 | 141.6 Ų | 141.6 | 96% | 0.963 | 81% | 0.805 | S | S | * | * | | | trans | 30.2 | 112.9 | 150.1 | -55.7 | 171.8 | 0 | 0 | 0 | 118 | | |
| 59 | G | 51.8 | Low | 55.1 | Low | 70 Ų | 70 | 143 Ų | 143 | 72% | 0.722 | 80% | 0.804 | S | S | * | * | | | trans | 144 | 55 | 156.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | R61 | G59-R61 VanDerWaalsContact C-N 3.32Å; G59-R61 PolarHBondContact O-N 3.01Å |
| 60 | G | 53.7 | Low | 55.5 | Low | 85 Ų | 85 | 142.1 Ų | 142.1 | 88% | 0.876 | 79% | 0.793 | S | S | * | * | | | trans | -66.5 | 90.1 | 166.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 61 | R | 60.1 | Low | 56.2 | Low | 235 Ų | 235 | 141 Ų | 141 | 89% | 0.887 | 78% | 0.784 | S | S | * | * | | | trans | -104.5 | 100.6 | 157.9 | -59.3 | -174.4 | -178.1 | -95.3 | -1.4 | 105.9 | G59 S63 | G59-R61 VanDerWaalsContact C-N 3.32Å; G59-R61 PolarHBondContact O-N 3.01Å; R61-S63 VanDerWaalsContact C-N 3.34Å; R61-S63 PolarHBondContact O-N 3.08Å |
| 62 | R | 52.7 | Low | 56.3 | Low | 244 Ų | 244 | 145.7 Ų | 145.7 | 92% | 0.921 | 79% | 0.785 | S | S | * | * | | | trans | -58.9 | 100.1 | 172.6 | -73.4 | -177.5 | -72.7 | -108.7 | 0.5 | 107.7 | G64 | R62-G64 PolarHBondContact O-N 3.17Å; R62-G64 VanDerWaalsContact O-N 3.16Å |
| 63 | S | 55.1 | Low | 56.5 | Low | 118 Ų | 118 | 143.7 Ų | 143.7 | 83% | 0.825 | 77% | 0.771 | S | S | * | * | | | trans | -59.6 | 106.8 | 159.7 | 169.5 | 0 | 0 | 0 | 0 | 106.6 | R61 | R61-S63 VanDerWaalsContact C-N 3.34Å; R61-S63 PolarHBondContact O-N 3.08Å |
| 64 | G | 58 | Low | 56.4 | Low | 68 Ų | 68 | 139.9 Ų | 139.9 | 70% | 0.701 | 76% | 0.759 | S | S | * | * | | | trans | 177.5 | -10.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 117.6 | R62 | R62-G64 PolarHBondContact O-N 3.17Å; R62-G64 VanDerWaalsContact O-N 3.16Å |
| 65 | E | 54.3 | Low | 56.3 | Low | 177 Ų | 177 | 138.2 Ų | 138.2 | 83% | 0.827 | 75% | 0.752 | S | S | * | * | | | trans | -126.8 | 81.2 | 176.2 | -163.9 | 162.2 | 75.6 | 0 | 0 | 110.1 | A67 | E65-A67 HydrophobicContact CG-CB 4.16Å; E65-A67 PolarHBondContact O-N 3.13Å |
| 66 | W | 51.2 | Low | 56.5 | Low | 241 Ų | 241 | 136 Ų | 136 | 91% | 0.913 | 74% | 0.743 | S | S | * | * | | | trans | -75.1 | 72.3 | 155.4 | -60 | 97.1 | 0 | 0 | 0 | 106.9 | R68 | W66-R68 PolarHBondContact O-N 2.95Å; W66-R68 VanDerWaalsContact O-N 3.08Å |
| 67 | A | 64.7 | Low | 56.5 | Low | 69 Ų | 69 | 137.6 Ų | 137.6 | 57% | 0.57 | 74% | 0.742 | S | S | * | * | | | trans | -56.1 | 118.5 | 165.1 | 0 | 0 | 0 | 0 | 0 | 106.4 | E65 P69 | E65-A67 HydrophobicContact CG-CB 4.16Å; E65-A67 PolarHBondContact O-N 3.13Å; A67-P69 WeakPolarHBondContact O-CD 3.22Å |
| 68 | R | 57.4 | Low | 56.4 | Low | 237 Ų | 237 | 141.6 Ų | 141.6 | 89% | 0.894 | 74% | 0.742 | S | S | * | * | | | trans | -52.5 | 113.8 | 171.1 | -86.1 | -89.1 | 176 | 157.4 | -3.8 | 106.4 | W66 D70 | W66-R68 PolarHBondContact O-N 2.95Å; W66-R68 VanDerWaalsContact O-N 3.08Å; R68-D70 PolarHBondContact O-N 3.1Å |
| 69 | P | 62.4 | Low | 55.8 | Low | 85 Ų | 85 | 138.4 Ų | 138.4 | 55% | 0.552 | 73% | 0.731 | S | S | * | * | | | trans | -63.6 | 130.8 | -179.9 | 24.5 | -30.9 | 0 | 0 | 0 | 108.1 | A67 L74 | A67-P69 WeakPolarHBondContact O-CD 3.22Å; P69-L74 HydrophobicContact CB-CD2 4.48Å; P69-L74 HydrophobicContact CG-CD2 4.48Å |
| 70 | D | 65.3 | Low | 55.8 | Low | 98 Ų | 98 | 140.9 Ų | 140.9 | 52% | 0.524 | 73% | 0.732 | S | S | . | * | | | trans | -60.1 | 132.6 | 177 | -151.5 | -55.1 | 0 | 0 | 0 | 108.5 | R68 R72 E73 | R68-D70 PolarHBondContact O-N 3.1Å; D70-R72 PolarHBondContact O-N 3.09Å; D70-E73 HydrophobicContact CB-CG 4.02Å; D70-E73 WeakPolarHBondContact O-CB 3.42Å; D70-E73 PolarHBondContact O-N 2.99Å |
| 71 | P | 59.4 | Low | 55.3 | Low | 102 Ų | 102 | 141.1 Ų | 141.1 | 66% | 0.662 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.6 | -21.1 | -178.8 | -26.8 | 34 | 0 | 0 | 0 | 114.2 | | |
| 72 | R | 59.6 | Low | 55.1 | Low | 209 Ų | 209 | 133.6 Ų | 133.6 | 79% | 0.789 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.9 | -28.6 | 174.5 | -74.8 | 174.4 | 164.5 | -104.9 | -1 | 113.9 | D70 | D70-R72 PolarHBondContact O-N 3.09Š|
| 73 | E | 57.3 | Low | 55 | Low | 128 Ų | 128 | 124.7 Ų | 124.7 | 60% | 0.598 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -76.8 | -26.4 | 178.9 | -69.9 | -83.1 | 119.1 | 0 | 0 | 112.2 | D70 F75 S76 S77 | D70-E73 HydrophobicContact CB-CG 4.02Å; D70-E73 WeakPolarHBondContact O-CB 3.42Å; D70-E73 PolarHBondContact O-N 2.99Å; E73-F75 PolarHBondContact O-N 3.23Å; E73-S76 PolarHBondContact O-N 3.08Å; E73-S77 PolarHBondContact O-N 3.45Å |
| 74 | L | 55.3 | Low | 54.8 | Low | 114 Ų | 114 | 130.3 Ų | 130.3 | 60% | 0.597 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -63.6 | -28.7 | 175.6 | -67.4 | 174 | 0 | 0 | 0 | 112.5 | P69 | P69-L74 HydrophobicContact CB-CD2 4.48Å; P69-L74 HydrophobicContact CG-CD2 4.48Å |
| 75 | F | 53.4 | Low | 54.7 | Low | 168 Ų | 168 | 137.2 Ų | 137.2 | 74% | 0.737 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -82.7 | -27.1 | 179.2 | -122.6 | -91.6 | 0 | 0 | 0 | 113.2 | E73 | E73-F75 PolarHBondContact O-N 3.23Å |
| 76 | S | 53.5 | Low | 54.8 | Low | 83 Ų | 83 | 137.2 Ų | 137.2 | 58% | 0.58 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -80.4 | -14.3 | 178.3 | -78.6 | 0 | 0 | 0 | 0 | 113.9 | E73 Q78 T79 | E73-S76 PolarHBondContact O-N 3.08Å; S76-Q78 PolarHBondContact O-N 2.89Å; S76-T79 PolarHBondContact O-N 2.83Å |
| 77 | S | 50.7 | Low | 54.8 | Low | 103 Ų | 103 | 129 Ų | 129 | 72% | 0.72 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.1 | -5 | 175.3 | -64.7 | 0 | 0 | 0 | 0 | 113.7 | E73 T79 | E73-S77 PolarHBondContact O-N 3.45Å; S77-T79 PolarHBondContact O-N 3.21Å |
| 78 | Q | 50.4 | Low | 54 | Low | 155 Ų | 155 | 131.6 Ų | 131.6 | 72% | 0.724 | 71% | 0.712 | S | S | * | * | | | trans | -78.9 | 54.9 | 155.6 | -80.9 | -178.9 | 86.5 | 0 | 0 | 109.8 | S76 V80 | S76-Q78 PolarHBondContact O-N 2.89Å; Q78-V80 PolarHBondContact O-N 3.04Å |
| 79 | T | 45.9 | Very low | 54.2 | Low | 118 Ų | 118 | 125.4 Ų | 125.4 | 72% | 0.724 | 70% | 0.702 | S | S | * | * | | | trans | -67.5 | 96.8 | 151.3 | -69.9 | 0 | 0 | 0 | 0 | 104.7 | S76 S77 A81 | S76-T79 PolarHBondContact O-N 2.83Å; S77-T79 PolarHBondContact O-N 3.21Å; T79-A81 PolarHBondContact O-N 3.34Å |
| 80 | V | 51.6 | Low | 53.7 | Low | 122 Ų | 122 | 126 Ų | 126 | 74% | 0.739 | 71% | 0.706 | S | S | * | * | | | trans | -30.3 | 111 | 152.8 | 163.6 | 0 | 0 | 0 | 0 | 105.7 | Q78 G82 | Q78-V80 PolarHBondContact O-N 3.04Å; V80-G82 PolarHBondContact O-N 3.34Å |
| 81 | A | 43.8 | Very low | 53.5 | Low | 90 Ų | 90 | 133.4 Ų | 133.4 | 74% | 0.744 | 73% | 0.726 | S | S | * | * | | | trans | -61.7 | 82 | 167.9 | 0 | 0 | 0 | 0 | 0 | 106.1 | T79 G83 | T79-A81 PolarHBondContact O-N 3.34Å; A81-G83 VanDerWaalsContact C-N 3.28Å; A81-G83 PolarHBondContact O-N 3.38Å |
| 82 | G | 55.3 | Low | 53.4 | Low | 77 Ų | 77 | 133.3 Ų | 133.3 | 79% | 0.794 | 72% | 0.72 | S | S | * | * | | | trans | -66.9 | 94 | 168.2 | 0 | 0 | 0 | 0 | 0 | 106.2 | V80 | V80-G82 PolarHBondContact O-N 3.34Š|
| 83 | G | 49.8 | Very low | 53.4 | Low | 56 Ų | 56 | 131.4 Ų | 131.4 | 58% | 0.577 | 72% | 0.72 | S | S | * | * | | | trans | 155 | 108.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 108 | A81 | A81-G83 VanDerWaalsContact C-N 3.28Å; A81-G83 PolarHBondContact O-N 3.38Å |
| 84 | R | 50.6 | Low | 53.2 | Low | 237 Ų | 237 | 132.9 Ų | 132.9 | 89% | 0.894 | 73% | 0.732 | S | S | * | * | | | cis | -157.9 | 146.9 | 35.5 | -48.4 | -179.1 | -175.4 | -163.2 | -3.6 | 108.8 | L86 | R84-L86 PolarHBondContact O-N 3.27Š|
| 85 | R | 56.7 | Low | 53.2 | Low | 213 Ų | 213 | 137.4 Ų | 137.4 | 80% | 0.804 | 74% | 0.741 | S | S | * | * | | | trans | -56.7 | 113 | 152.3 | -84.2 | -175 | 174.5 | -83.4 | 4.1 | 107.9 | D88 | R85-D88 IonicContact NH1-OD2 3.18Å; R85-D88 PolarHBondContact NH1-OD2 2.8Å |
| 86 | L | 55.5 | Low | 53.2 | Low | 177 Ų | 177 | 141.2 Ų | 141.2 | 93% | 0.927 | 75% | 0.75 | S | S | * | * | | | trans | -170.6 | 87 | 151.7 | -146.6 | 78.6 | 0 | 0 | 0 | 107.5 | R84 | R84-L86 PolarHBondContact O-N 3.27Š|
| 87 | G | 51.6 | Low | 53.2 | Low | 68 Ų | 68 | 140.4 Ų | 140.4 | 70% | 0.701 | 76% | 0.755 | S | S | * | * | | | trans | 144.6 | 22.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | P89 | G87-P89 WeakPolarHBondContact O-CD 3.41Å; G87-P89 VanDerWaalsContact O-N 3.1Å |
| 88 | D | 48 | Very low | 53.5 | Low | 124 Ų | 124 | 142.7 Ų | 142.7 | 66% | 0.663 | 76% | 0.758 | S | S | * | * | | | trans | -55.1 | 113.3 | 151.5 | -82 | -63.1 | 0 | 0 | 0 | 106 | R85 | R85-D88 IonicContact NH1-OD2 3.18Å; R85-D88 PolarHBondContact NH1-OD2 2.8Å |
| 89 | P | 61.2 | Low | 53.7 | Low | 106 Ų | 106 | 140 Ų | 140 | 69% | 0.688 | 76% | 0.763 | S | S | * | * | | | trans | -59.9 | 138.8 | 170.1 | 26.4 | -32 | 0 | 0 | 0 | 106.9 | G87 R91 | G87-P89 WeakPolarHBondContact O-CD 3.41Å; G87-P89 VanDerWaalsContact O-N 3.1Å; P89-R91 PolarHBondContact O-N 2.78Å |
| 90 | P | 53.2 | Low | 53.9 | Low | 98 Ų | 98 | 143.9 Ų | 143.9 | 64% | 0.636 | 80% | 0.795 | S | S | * | * | | | trans | -55.5 | 123.9 | 173.3 | 26.4 | -33.6 | 0 | 0 | 0 | 107 | N92 | P90-N92 VanDerWaalsContact CB-OD1 3.31Å; P90-N92 WeakPolarHBondContact CB-OD1 3.22Å; P90-N92 WeakPolarHBondContact CG-OD1 3.48Å; P90-N92 PolarHBondContact O-N 3.06Å; P90-N92 PolarHBondContact O-OD1 2.95Å |
| 91 | R | 59.6 | Low | 54 | Low | 253 Ų | 253 | 145 Ų | 145 | 96% | 0.955 | 80% | 0.798 | S | S | * | * | | | trans | -70.4 | 67.1 | 171.3 | -173.1 | -173.7 | 178.6 | -88.1 | 2.5 | 107.8 | P89 | P89-R91 PolarHBondContact O-N 2.78Š|
| 92 | N | 59.2 | Low | 54.6 | Low | 100 Ų | 100 | 147.9 Ų | 147.9 | 54% | 0.535 | 80% | 0.801 | S | S | . | * | | | trans | -134.5 | 131.8 | 175.3 | 68.2 | -14.6 | 0 | 0 | 0 | 110.5 | P90 | P90-N92 VanDerWaalsContact CB-OD1 3.31Å; P90-N92 WeakPolarHBondContact CB-OD1 3.22Å; P90-N92 WeakPolarHBondContact CG-OD1 3.48Å; P90-N92 PolarHBondContact O-N 3.06Å; P90-N92 PolarHBondContact O-OD1 2.95Å |
| 93 | E | 58.6 | Low | 54.5 | Low | 169 Ų | 169 | 151.8 Ų | 151.8 | 79% | 0.79 | 80% | 0.801 | S | S | * | * | S | Bend | trans | 96.2 | 9.9 | 148.1 | -39.3 | -151.4 | 152 | 0 | 0 | 121.8 | | |
| 94 | L | 54 | Low | 54.8 | Low | 159 Ų | 159 | 157.5 Ų | 157.5 | 83% | 0.832 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -90.6 | -0.8 | 171.6 | -139.5 | 95.6 | 0 | 0 | 0 | 116.2 | | |
| 95 | W | 54.9 | Low | 55.1 | Low | 209 Ų | 209 | 152.5 Ų | 152.5 | 79% | 0.792 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -124.3 | 17.1 | -173.6 | -66.2 | 100.5 | 0 | 0 | 0 | 115.6 | G97 L98 | W95-G97 VanDerWaalsContact C-N 3.31Å; W95-G97 PolarHBondContact O-N 3.33Å; W95-L98 HydrophobicContact CE3-CD1 4.33Å; W95-L98 HydrophobicContact CZ3-CD1 3.97Å |
| 96 | R | 52.6 | Low | 55 | Low | 249 Ų | 249 | 148.5 Ų | 148.5 | 94% | 0.94 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -92.7 | 29.2 | 171.8 | -85.9 | -165.5 | -174.1 | -83.5 | 1.9 | 113.9 | | |
| 97 | G | 54.8 | Low | 54.9 | Low | 66 Ų | 66 | 146.4 Ų | 146.4 | 68% | 0.68 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -132.2 | 12.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | W95 | W95-G97 VanDerWaalsContact C-N 3.31Å; W95-G97 PolarHBondContact O-N 3.33Å |
| 98 | L | 56.6 | Low | 55.2 | Low | 150 Ų | 150 | 152.5 Ų | 152.5 | 79% | 0.785 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -130.7 | 37.4 | -179.7 | -75.4 | 171.1 | 0 | 0 | 0 | 112.8 | W95 | W95-L98 HydrophobicContact CE3-CD1 4.33Å; W95-L98 HydrophobicContact CZ3-CD1 3.97Å |
| 99 | A | 54.1 | Low | 55.8 | Low | 99 Ų | 99 | 154.8 Ų | 154.8 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | | | trans | -137.4 | 75.1 | 163.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 100 | S | 50.9 | Low | 55.3 | Low | 200 Ų | 200 | 159.3 Ų | 159.3 | 100% | 1.399 | 83% | 0.833 | S | S | * | * | | | trans | -116.2 | 0 | 153.1 | -75.2 | 0 | 0 | 0 | 0 | 107.4 | | |