| 1 | M | 50.3 | Low | 51.3 | Low | 237 Ų | 237 | 137.8 Ų | 137.8 | 100% | 1.167 | 78% | 0.778 | S | S | * | * | | | | 0 | 102.5 | 0 | -66.8 | -53.5 | -158.3 | 0 | 0 | 106.6 | | |
| 2 | D | 47.9 | Very low | 52.2 | Low | 160 Ų | 160 | 142.3 Ų | 142.3 | 86% | 0.856 | 79% | 0.788 | S | S | * | * | | | trans | -68 | 133.8 | 172.5 | -56.5 | -99.2 | 0 | 0 | 0 | 110.9 | | |
| 3 | E | 49.5 | Very low | 52.6 | Low | 165 Ų | 165 | 137.7 Ų | 137.7 | 77% | 0.771 | 76% | 0.761 | S | S | * | * | | | | -168.1 | 118.1 | 124.3 | -125.9 | -76.5 | 119.6 | 0 | 0 | 109.6 | | |
| 4 | P | 50 | Low | 53.4 | Low | 96 Ų | 96 | 135.2 Ų | 135.2 | 62% | 0.623 | 75% | 0.746 | S | S | * | * | | | trans | -72 | 133.2 | -179.4 | 27.9 | -35.7 | 0 | 0 | 0 | 112.3 | P6 | P4-P6 VanDerWaalsContact O-CD 3.27Å; P4-P6 WeakPolarHBondContact O-CD 3.02Å |
| 5 | S | 54.3 | Low | 54.3 | Low | 96 Ų | 96 | 139.1 Ų | 139.1 | 67% | 0.671 | 76% | 0.756 | S | S | * | * | | | trans | -60.3 | 125 | 169.4 | 73.6 | 0 | 0 | 0 | 0 | 110.2 | L7 | S5-L7 PolarHBondContact O-N 2.9Š|
| 6 | P | 53.4 | Low | 55.4 | Low | 117 Ų | 117 | 139.8 Ų | 139.8 | 76% | 0.76 | 75% | 0.753 | S | S | * | * | | | trans | -80.7 | 73.3 | 156.5 | 33.3 | -28 | 0 | 0 | 0 | 106.6 | P4 A8 | P4-P6 VanDerWaalsContact O-CD 3.27Å; P4-P6 WeakPolarHBondContact O-CD 3.02Å; P6-A8 PolarHBondContact O-N 3.39Å |
| 7 | L | 52.8 | Low | 56.6 | Low | 142 Ų | 142 | 137.4 Ų | 137.4 | 74% | 0.743 | 75% | 0.749 | S | S | * | * | | | trans | -62.9 | 79.1 | 144.9 | -141.7 | 171.9 | 0 | 0 | 0 | 103.9 | S5 Q9 | S5-L7 PolarHBondContact O-N 2.9Å; L7-Q9 VanDerWaalsContact C-N 3.29Å; L7-Q9 PolarHBondContact O-N 3.21Å |
| 8 | A | 48.7 | Very low | 57.8 | Low | 87 Ų | 87 | 137.2 Ų | 137.2 | 72% | 0.719 | 74% | 0.735 | S | S | * | * | | | trans | -61.2 | 103.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 105.2 | P6 | P6-A8 PolarHBondContact O-N 3.39Š|
| 9 | Q | 55.1 | Low | 58.6 | Low | 161 Ų | 161 | 139.2 Ų | 139.2 | 75% | 0.752 | 74% | 0.737 | S | S | * | * | | | trans | -36 | 143.6 | 178 | -61.4 | 162.5 | -41.7 | 0 | 0 | 110.1 | L7 L11 | L7-Q9 VanDerWaalsContact C-N 3.29Å; L7-Q9 PolarHBondContact O-N 3.21Å; Q9-L11 PolarHBondContact O-N 2.71Å |
| 10 | P | 50.1 | Low | 59.6 | Low | 130 Ų | 130 | 139.9 Ų | 139.9 | 84% | 0.844 | 74% | 0.739 | S | S | * | * | | | trans | -65.9 | 84.3 | 166.2 | 28.9 | -30.5 | 0 | 0 | 0 | 106.5 | E12 | P10-E12 PolarHBondContact O-N 3.18Š|
| 11 | L | 52.5 | Low | 60.4 | Low | 125 Ų | 125 | 140.7 Ų | 140.7 | 65% | 0.654 | 74% | 0.743 | S | S | * | * | | | trans | -52.4 | 129.1 | 173.1 | -178 | 76.8 | 0 | 0 | 0 | 104.7 | Q9 L13 | Q9-L11 PolarHBondContact O-N 2.71Å; L11-L13 HydrophobicContact CB-CD2 3.54Å; L11-L13 HydrophobicContact CD2-CD2 3.6Å; L11-L13 HydrophobicContact CG-CD2 3.66Å; L11-L13 WeakPolarHBondContact O-CD2 3.07Å; L11-L13 WeakPolarHBondContact O-CG 3.43Å; L11-L13 PolarHBondContact O-N 3.22Å |
| 12 | E | 61.3 | Low | 61.8 | Low | 192 Ų | 192 | 132.4 Ų | 132.4 | 90% | 0.897 | 72% | 0.717 | S | S | * | * | | | trans | -64.2 | 90.7 | -178.4 | -170.1 | -177.3 | 143.3 | 0 | 0 | 108.2 | P10 N14 | P10-E12 PolarHBondContact O-N 3.18Å; E12-N14 PolarHBondContact O-N 3.04Å |
| 13 | L | 57.8 | Low | 63.2 | Low | 82 Ų | 82 | 130.8 Ų | 130.8 | 43% | 0.429 | 72% | 0.719 | S | S | . | * | | | trans | -84.3 | 93.4 | -171.3 | -56.4 | -162.9 | 0 | 0 | 0 | 106.6 | L11 Q15 | L11-L13 HydrophobicContact CB-CD2 3.54Å; L11-L13 HydrophobicContact CD2-CD2 3.6Å; L11-L13 HydrophobicContact CG-CD2 3.66Å; L11-L13 WeakPolarHBondContact O-CD2 3.07Å; L11-L13 WeakPolarHBondContact O-CG 3.43Å; L11-L13 PolarHBondContact O-N 3.22Å; L13-Q15 PolarHBondContact O-N 2.83Å |
| 14 | N | 63.1 | Low | 64.4 | Low | 103 Ų | 103 | 129.6 Ų | 129.6 | 55% | 0.551 | 72% | 0.723 | S | S | * | * | | | trans | -23.5 | 120.4 | 162.7 | 179.6 | -90.7 | 0 | 0 | 0 | 111.3 | E12 H16 | E12-N14 PolarHBondContact O-N 3.04Å; N14-H16 PolarHBondContact O-N 2.79Å; N14-H16 WeakPolarHBondContact OD1-CB 3.45Å; N14-H16 PolarHBondContact OD1-CD2 2.95Å |
| 15 | Q | 67.4 | Low | 65.2 | Low | 193 Ų | 193 | 130 Ų | 130 | 90% | 0.902 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -68.9 | 8.7 | -166.9 | -63.1 | 177.4 | 10.4 | 0 | 0 | 114.5 | L13 S17 | L13-Q15 PolarHBondContact O-N 2.83Å; Q15-S17 PolarHBondContact O-N 2.67Å |
| 16 | H | 71.4 | Confident | 65.9 | Low | 151 Ų | 151 | 134 Ų | 134 | 70% | 0.699 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -87.2 | 109.5 | 175.8 | -62.7 | -83.5 | 0 | 0 | 0 | 108.6 | N14 | N14-H16 PolarHBondContact O-N 2.79Å; N14-H16 WeakPolarHBondContact OD1-CB 3.45Å; N14-H16 PolarHBondContact OD1-CD2 2.95Å |
| 17 | S | 76.4 | Confident | 66.6 | Low | 98 Ų | 98 | 135.8 Ų | 135.8 | 69% | 0.685 | 74% | 0.739 | S | S | * | * | | | trans | 9.9 | 111 | 176.8 | -132 | 0 | 0 | 0 | 0 | 117.1 | Q15 | Q15-S17 PolarHBondContact O-N 2.67Š|
| 18 | R | 78.9 | Confident | 67.2 | Low | 135 Ų | 135 | 136 Ų | 136 | 51% | 0.509 | 74% | 0.741 | S | S | . | * | | | trans | -114.2 | 110.5 | 174.4 | -57.5 | -175.3 | 87.5 | 109.8 | -2.9 | 109.5 | | |
| 19 | F | 72.6 | Confident | 67.8 | Low | 174 Ų | 174 | 135.4 Ų | 135.4 | 76% | 0.763 | 73% | 0.732 | S | S | * | * | | | trans | -86 | 128.3 | 169.3 | -63.6 | -79.7 | 0 | 0 | 0 | 108.9 | | |
| 20 | I | 77.3 | Confident | 68.4 | Low | 153 Ų | 153 | 134.9 Ų | 134.9 | 79% | 0.785 | 73% | 0.729 | S | S | * | * | | | trans | -90.7 | 115.8 | 174 | -54.6 | -58.2 | 0 | 0 | 0 | 107.4 | | |
| 21 | I | 76.8 | Confident | 69.3 | Low | 158 Ų | 158 | 135.9 Ų | 135.9 | 81% | 0.81 | 73% | 0.727 | S | S | * | * | | | trans | -93.8 | 112.6 | 172.3 | -59.9 | 117.1 | 0 | 0 | 0 | 107.5 | | |
| 22 | G | 80.9 | Confident | 70.1 | Confident | 62 Ų | 62 | 137.2 Ų | 137.2 | 64% | 0.639 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -92.5 | 139.3 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 23 | S | 77.1 | Confident | 70.1 | Confident | 126 Ų | 126 | 134.8 Ų | 134.8 | 88% | 0.881 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 135.8 | 168 | 48.9 | 0 | 0 | 0 | 0 | 110.1 | | |
| 24 | V | 74.5 | Confident | 70.3 | Confident | 141 Ų | 141 | 136.6 Ų | 136.6 | 86% | 0.855 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -96.6 | 121.7 | 169.3 | -145 | 0 | 0 | 0 | 0 | 106.2 | E26 | V24-E26 PolarHBondContact O-N 3.48Š|
| 25 | S | 67.4 | Low | 70.1 | Confident | 105 Ų | 105 | 137 Ų | 137 | 73% | 0.734 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 128.3 | 177.1 | 50.8 | 0 | 0 | 0 | 0 | 109.9 | D27 | S25-D27 PolarHBondContact O-N 3.33Š|
| 26 | E | 68.6 | Low | 69.4 | Low | 179 Ų | 179 | 134.8 Ų | 134.8 | 84% | 0.836 | 74% | 0.737 | S | S | * | * | | | trans | -82 | 45 | 177.6 | -145.1 | 158.6 | 89.2 | 0 | 0 | 110.7 | V24 N28 | V24-E26 PolarHBondContact O-N 3.48Å; E26-N28 PolarHBondContact O-N 3.5Å |
| 27 | D | 68.4 | Low | 68.6 | Low | 154 Ų | 154 | 133.8 Ų | 133.8 | 82% | 0.824 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | 25.7 | -174.5 | -150 | -106.7 | 0 | 0 | 0 | 113 | S25 | S25-D27 PolarHBondContact O-N 3.33Š|
| 28 | N | 64.5 | Low | 67.5 | Low | 147 Ų | 147 | 137.5 Ų | 137.5 | 79% | 0.786 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -146.4 | 48.4 | 179.2 | -167.3 | 44.8 | 0 | 0 | 0 | 111.5 | E26 | E26-N28 PolarHBondContact O-N 3.5Š|
| 29 | S | 62.6 | Low | 66.3 | Low | 75 Ų | 75 | 138.1 Ų | 138.1 | 52% | 0.524 | 76% | 0.758 | S | S | . | * | | | trans | -88.3 | 89.3 | 155 | 60.8 | 0 | 0 | 0 | 0 | 107.7 | D31 | S29-D31 VanDerWaalsContact C-N 3.32Å; S29-D31 PolarHBondContact O-N 3.14Å |
| 30 | E | 67.8 | Low | 65.7 | Low | 150 Ų | 150 | 136.9 Ų | 136.9 | 70% | 0.701 | 76% | 0.759 | S | S | * | * | | | trans | -63 | 101.3 | 158.6 | -179.3 | 171.8 | 81.7 | 0 | 0 | 106.7 | E32 | E30-E32 HydrophobicContact CG-CB 4.33Å; E30-E32 HydrophobicContact CG-CG 3.85Å; E30-E32 PolarHBondContact O-N 3.44Å |
| 31 | D | 68.3 | Low | 64.8 | Low | 151 Ų | 151 | 136.8 Ų | 136.8 | 81% | 0.807 | 76% | 0.759 | S | S | * | * | | | trans | -66.1 | 71.2 | 175.3 | -69.6 | -69.7 | 0 | 0 | 0 | 110.6 | S29 | S29-D31 VanDerWaalsContact C-N 3.32Å; S29-D31 PolarHBondContact O-N 3.14Å |
| 32 | E | 68 | Low | 63.6 | Low | 152 Ų | 152 | 136.5 Ų | 136.5 | 71% | 0.71 | 76% | 0.759 | S | S | * | * | | | trans | -109.4 | 69.6 | 175.6 | -83.4 | -156.2 | 144.4 | 0 | 0 | 112.7 | E30 | E30-E32 HydrophobicContact CG-CB 4.33Å; E30-E32 HydrophobicContact CG-CG 3.85Å; E30-E32 PolarHBondContact O-N 3.44Å |
| 33 | I | 61.6 | Low | 62.9 | Low | 142 Ų | 142 | 142.4 Ų | 142.4 | 73% | 0.728 | 77% | 0.77 | S | S | * | * | | | trans | -132.9 | 71.7 | 152.5 | -37 | 173.6 | 0 | 0 | 0 | 110.9 | N35 | I33-N35 HydrophobicContact CG2-CB 3.96Å; I33-N35 PolarHBondContact O-N 3.48Å |
| 34 | S | 62.7 | Low | 61.7 | Low | 120 Ų | 120 | 144.2 Ų | 144.2 | 84% | 0.839 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.8 | 39.4 | 163.1 | -163.7 | 0 | 0 | 0 | 0 | 113.4 | | |
| 35 | N | 58.3 | Low | 61 | Low | 112 Ų | 112 | 147.4 Ų | 147.4 | 60% | 0.599 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.4 | -5.2 | -179.4 | -69.5 | -52.4 | 0 | 0 | 0 | 114.6 | I33 V37 K38 | I33-N35 HydrophobicContact CG2-CB 3.96Å; I33-N35 PolarHBondContact O-N 3.48Å; N35-V37 VanDerWaalsContact C-N 3.31Å; N35-V37 PolarHBondContact O-N 3.05Å; N35-K38 PolarHBondContact O-N 3.43Å |
| 36 | L | 53.8 | Low | 60.5 | Low | 145 Ų | 145 | 149.6 Ų | 149.6 | 76% | 0.759 | 77% | 0.765 | S | S | * | * | G | 310 helix | trans | -70.5 | -26.3 | 178.7 | -171.1 | 59 | 0 | 0 | 0 | 113 | K38 L39 | L36-K38 PolarHBondContact O-N 3.37Å; L36-L39 PolarHBondContact O-N 3.42Å |
| 37 | V | 54 | Low | 59.9 | Low | 130 Ų | 130 | 143.6 Ų | 143.6 | 79% | 0.788 | 75% | 0.751 | S | S | * | * | G | 310 helix | trans | -70.2 | -12.4 | 177.4 | 175.1 | 0 | 0 | 0 | 0 | 112.8 | N35 | N35-V37 VanDerWaalsContact C-N 3.31Å; N35-V37 PolarHBondContact O-N 3.05Å |
| 38 | K | 54.7 | Low | 59.5 | Low | 176 Ų | 176 | 141.8 Ų | 141.8 | 77% | 0.765 | 75% | 0.751 | S | S | * | * | G | 310 helix | trans | -94.6 | -2.6 | -179.4 | -158.6 | 167.4 | 177.8 | 179.2 | 0 | 114.2 | N35 L36 | N35-K38 PolarHBondContact O-N 3.43Å; L36-K38 PolarHBondContact O-N 3.37Å |
| 39 | L | 51.8 | Low | 59.2 | Low | 148 Ų | 148 | 141.2 Ų | 141.2 | 78% | 0.775 | 75% | 0.747 | S | S | * | * | G | 310 helix | trans | -100.6 | 19.5 | 172.8 | -63.9 | -160.4 | 0 | 0 | 0 | 113.7 | L36 L41 | L36-L39 PolarHBondContact O-N 3.42Å; L39-L41 VanDerWaalsContact C-N 3.31Å; L39-L41 PolarHBondContact O-N 3.44Å |
| 40 | D | 60.3 | Low | 58.7 | Low | 148 Ų | 148 | 142.4 Ų | 142.4 | 79% | 0.791 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.5 | 22.4 | 176.3 | -104.1 | -5.7 | 0 | 0 | 0 | 114 | | |
| 41 | L | 58.8 | Low | 58.2 | Low | 152 Ų | 152 | 141.1 Ų | 141.1 | 80% | 0.796 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.4 | 22.6 | -178.5 | -159.3 | 55.9 | 0 | 0 | 0 | 116.6 | L39 | L39-L41 VanDerWaalsContact C-N 3.31Å; L39-L41 PolarHBondContact O-N 3.44Å |
| 42 | L | 52.2 | Low | 57.6 | Low | 151 Ų | 151 | 138.1 Ų | 138.1 | 79% | 0.791 | 76% | 0.756 | S | S | * | * | | | trans | -129.7 | 82.5 | 163 | -88.5 | 170.4 | 0 | 0 | 0 | 110.9 | E44 | L42-E44 PolarHBondContact O-N 2.93Å; L42-E44 VanDerWaalsContact O-N 3.13Å |
| 43 | E | 65.6 | Low | 57 | Low | 186 Ų | 186 | 136.7 Ų | 136.7 | 87% | 0.869 | 76% | 0.763 | S | S | * | * | | | trans | -49.3 | 106.3 | 149.4 | -67 | 173.7 | 89.9 | 0 | 0 | 109.7 | | |
| 44 | E | 52.3 | Low | 56.2 | Low | 165 Ų | 165 | 136 Ų | 136 | 77% | 0.771 | 77% | 0.765 | S | S | * | * | | | trans | -160 | 118.7 | 135.7 | 50.1 | -163.4 | 130.8 | 0 | 0 | 112 | L42 E46 | L42-E44 PolarHBondContact O-N 2.93Å; L42-E44 VanDerWaalsContact O-N 3.13Å; E44-E46 PolarHBondContact O-N 3.33Å |
| 45 | K | 59.8 | Low | 55.9 | Low | 207 Ų | 207 | 133 Ų | 133 | 90% | 0.9 | 75% | 0.754 | S | S | * | * | | | trans | -55.9 | 98.4 | 165.5 | 178.3 | 175.5 | 84 | -84.6 | 0 | 109.7 | | |
| 46 | E | 56.1 | Low | 55.9 | Low | 152 Ų | 152 | 133.1 Ų | 133.1 | 71% | 0.71 | 76% | 0.763 | S | S | * | * | | | trans | -109.3 | 118.7 | 152.7 | -158.6 | -168.5 | 135.3 | 0 | 0 | 108.3 | E44 L49 | E44-E46 PolarHBondContact O-N 3.33Å; E46-L49 WeakPolarHBondContact OE1-CD1 3.49Å |
| 47 | G | 57.7 | Low | 56 | Low | 52 Ų | 52 | 133.2 Ų | 133.2 | 54% | 0.536 | 76% | 0.764 | S | S | . | * | | | trans | -60.1 | 156 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L49 | G47-L49 PolarHBondContact O-N 2.85Š|
| 48 | S | 59.8 | Low | 56 | Low | 117 Ų | 117 | 133.4 Ų | 133.4 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | | | trans | -49.7 | 103.6 | 171.9 | 53.5 | 0 | 0 | 0 | 0 | 111 | S50 | S48-S50 PolarHBondContact O-N 2.87Š|
| 49 | L | 57.1 | Low | 55.9 | Low | 134 Ų | 134 | 130.6 Ų | 130.6 | 70% | 0.702 | 76% | 0.758 | S | S | * | * | | | trans | -86.9 | 85.7 | 167.2 | -60.9 | -169.3 | 0 | 0 | 0 | 107.6 | E46 G47 | E46-L49 WeakPolarHBondContact OE1-CD1 3.49Å; G47-L49 PolarHBondContact O-N 2.85Å |
| 50 | S | 51.9 | Low | 55.9 | Low | 100 Ų | 100 | 129.7 Ų | 129.7 | 70% | 0.699 | 77% | 0.765 | S | S | * | * | | | trans | -49.4 | 134.1 | 158.7 | -66.2 | 0 | 0 | 0 | 0 | 107.5 | S48 A52 | S48-S50 PolarHBondContact O-N 2.87Å; S50-A52 PolarHBondContact O-N 2.85Å |
| 51 | P | 58.6 | Low | 55.6 | Low | 124 Ų | 124 | 130.1 Ų | 130.1 | 81% | 0.805 | 77% | 0.767 | S | S | * | * | | | trans | -55 | 120.1 | -171.4 | 21.2 | -32.2 | 0 | 0 | 0 | 109.3 | S53 | P51-S53 PolarHBondContact O-N 3.15Š|
| 52 | A | 55.8 | Low | 55.2 | Low | 87 Ų | 87 | 129.3 Ų | 129.3 | 72% | 0.719 | 76% | 0.763 | S | S | * | * | | | trans | -58.5 | 115.5 | 163.8 | 0 | 0 | 0 | 0 | 0 | 106 | S50 V54 | S50-A52 PolarHBondContact O-N 2.85Å; A52-V54 PolarHBondContact O-N 2.75Å |
| 53 | S | 55 | Low | 55.4 | Low | 123 Ų | 123 | 125.4 Ų | 125.4 | 86% | 0.86 | 76% | 0.759 | S | S | * | * | | | trans | -63.2 | 93.2 | 172.2 | -169 | 0 | 0 | 0 | 0 | 107.3 | P51 G55 | P51-S53 PolarHBondContact O-N 3.15Å; S53-G55 PolarHBondContact O-N 3.47Å; S53-G55 VanDerWaalsContact O-N 3.13Å |
| 54 | V | 44.8 | Very low | 54.7 | Low | 126 Ų | 126 | 119.8 Ų | 119.8 | 76% | 0.764 | 73% | 0.734 | S | S | * | * | | | trans | -70.5 | 106.4 | 170.5 | 173 | 0 | 0 | 0 | 0 | 105.6 | A52 S56 | A52-V54 PolarHBondContact O-N 2.75Å; V54-S56 PolarHBondContact O-N 2.92Å; V54-S56 VanDerWaalsContact O-N 3.13Å |
| 55 | G | 56.6 | Low | 54.8 | Low | 59 Ų | 59 | 115.8 Ų | 115.8 | 61% | 0.608 | 72% | 0.724 | S | S | * | * | | | trans | -51.4 | 117.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | S53 D57 | S53-G55 PolarHBondContact O-N 3.47Å; S53-G55 VanDerWaalsContact O-N 3.13Å; G55-D57 PolarHBondContact O-N 2.86Å |
| 56 | S | 57.1 | Low | 54.4 | Low | 113 Ų | 113 | 110.6 Ų | 110.6 | 79% | 0.79 | 71% | 0.714 | S | S | * | * | | | trans | -64.6 | 98.6 | 170.6 | -69.2 | 0 | 0 | 0 | 0 | 109.6 | V54 | V54-S56 PolarHBondContact O-N 2.92Å; V54-S56 VanDerWaalsContact O-N 3.13Å |
| 57 | D | 56.3 | Low | 54.2 | Low | 148 Ų | 148 | 109 Ų | 109 | 79% | 0.791 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -144.4 | 82.9 | 159 | -75.1 | -46.7 | 0 | 0 | 0 | 107.6 | G55 | G55-D57 PolarHBondContact O-N 2.86Š|
| 58 | T | 54.7 | Low | 54.1 | Low | 134 Ų | 134 | 111.9 Ų | 111.9 | 82% | 0.822 | 71% | 0.709 | S | S | * | * | S | Bend | trans | 154.6 | -3.3 | 151 | 47.7 | 0 | 0 | 0 | 0 | 116.2 | S60 | T58-S60 PolarHBondContact O-N 3.47Š|
| 59 | L | 52.6 | Low | 53.9 | Low | 116 Ų | 116 | 111 Ų | 111 | 61% | 0.607 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.3 | 21.3 | 178.8 | -79 | -171.6 | 0 | 0 | 0 | 115.8 | D61 I64 | L59-D61 VanDerWaalsContact C-N 3.27Å; L59-D61 PolarHBondContact O-N 3.39Å; L59-I64 HydrophobicContact CD1-CD1 4.24Å; L59-I64 HydrophobicContact CD2-CD1 4.39Å |
| 60 | S | 51.7 | Low | 54.1 | Low | 130 Ų | 130 | 106.5 Ų | 106.5 | 91% | 0.909 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.7 | -11.9 | 176.4 | -138.6 | 0 | 0 | 0 | 0 | 113.5 | T58 | T58-S60 PolarHBondContact O-N 3.47Š|
| 61 | D | 53.4 | Low | 54.7 | Low | 156 Ų | 156 | 106.2 Ų | 106.2 | 83% | 0.834 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -101 | -14.3 | -170.9 | -164.1 | 55.4 | 0 | 0 | 0 | 115.8 | L59 | L59-D61 VanDerWaalsContact C-N 3.27Å; L59-D61 PolarHBondContact O-N 3.39Å |
| 62 | L | 51.2 | Low | 54.8 | Low | 135 Ų | 135 | 103 Ų | 103 | 71% | 0.707 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -99.8 | 17.4 | -171.1 | -161.4 | 52.1 | 0 | 0 | 0 | 116 | I64 | L62-I64 VanDerWaalsContact C-N 3.26Å; L62-I64 HydrophobicContact CB-CD1 4.44Å; L62-I64 HydrophobicContact CB-CG1 4.17Å; L62-I64 PolarHBondContact O-N 3.03Å; L62-I64 VanDerWaalsContact O-N 3.14Å |
| 63 | G | 54.9 | Low | 55.4 | Low | 69 Ų | 69 | 104.4 Ų | 104.4 | 71% | 0.711 | 65% | 0.65 | S | S | * | * | | | trans | 63.7 | 24.6 | 169.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | S65 | G63-S65 VanDerWaalsContact C-N 3.3Å; G63-S65 PolarHBondContact O-N 3.49Å |
| 64 | I | 51.8 | Low | 56 | Low | 68 Ų | 68 | 104.5 Ų | 104.5 | 35% | 0.349 | 64% | 0.637 | S | S | . | * | | | trans | -91.5 | 19.6 | 178.6 | -0.5 | 175 | 0 | 0 | 0 | 113.1 | L59 L62 S66 L67 Q68 | L59-I64 HydrophobicContact CD1-CD1 4.24Å; L59-I64 HydrophobicContact CD2-CD1 4.39Å; L62-I64 VanDerWaalsContact C-N 3.26Å; L62-I64 HydrophobicContact CB-CD1 4.44Å; L62-I64 HydrophobicContact CB-CG1 4.17Å; L62-I64 PolarHBondContact O-N 3.03Å; L62-I64 VanDerWaalsContact O-N 3.14Å; I64-S66 PolarHBondContact O-N 3.08Å; I64-L67 PolarHBondContact O-N 2.83Å; I64-Q68 PolarHBondContact O-N 3.49Å |
| 65 | S | 53.4 | Low | 57.4 | Low | 81 Ų | 81 | 103.2 Ų | 103.2 | 57% | 0.566 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -61.2 | -41.4 | -178.2 | 51.1 | 0 | 0 | 0 | 0 | 112.6 | G63 L67 Q68 D69 | G63-S65 VanDerWaalsContact C-N 3.3Å; G63-S65 PolarHBondContact O-N 3.49Å; S65-L67 PolarHBondContact O-N 2.87Å; S65-Q68 PolarHBondContact O-N 2.77Å; S65-D69 WeakPolarHBondContact O-CB 3.08Å; S65-D69 PolarHBondContact O-N 3.26Å |
| 66 | S | 52.2 | Low | 57.9 | Low | 99 Ų | 99 | 102.6 Ų | 102.6 | 69% | 0.692 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -64.8 | -33.3 | -176.9 | 160.8 | 0 | 0 | 0 | 0 | 114.5 | I64 G70 | I64-S66 PolarHBondContact O-N 3.08Å; S66-G70 PolarHBondContact O-N 2.99Å |
| 67 | L | 51.5 | Low | 58.6 | Low | 117 Ų | 117 | 99.8 Ų | 99.8 | 61% | 0.613 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -83.2 | -36 | -177.2 | -174.2 | 61.2 | 0 | 0 | 0 | 111.5 | I64 S65 G70 L71 | I64-L67 PolarHBondContact O-N 2.83Å; S65-L67 PolarHBondContact O-N 2.87Å; L67-G70 PolarHBondContact O-N 2.83Å; L67-L71 HydrophobicContact CG-CD1 4.4Å; L67-L71 WeakPolarHBondContact O-CG 3.07Å; L67-L71 PolarHBondContact O-N 3.18Å; L67-L71 VanDerWaalsContact O-N 3.08Å |
| 68 | Q | 56.1 | Low | 59.2 | Low | 113 Ų | 113 | 101.1 Ų | 101.1 | 53% | 0.528 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -66.2 | -40.6 | 173 | -87 | -176.5 | 15.8 | 0 | 0 | 111.9 | I64 S65 G70 L71 A72 | I64-Q68 PolarHBondContact O-N 3.49Å; S65-Q68 PolarHBondContact O-N 2.77Å; Q68-G70 VanDerWaalsContact C-N 3.3Å; Q68-G70 PolarHBondContact O-N 3.28Å; Q68-L71 PolarHBondContact O-N 3.38Å; Q68-A72 WeakPolarHBondContact O-CB 3.16Å; Q68-A72 PolarHBondContact O-N 3.43Å |
| 69 | D | 56.1 | Low | 60.1 | Low | 98 Ų | 98 | 98 Ų | 98 | 52% | 0.524 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -62.9 | -40.1 | 177.2 | -68.5 | -25.8 | 0 | 0 | 0 | 111 | S65 L73 | S65-D69 WeakPolarHBondContact O-CB 3.08Å; S65-D69 PolarHBondContact O-N 3.26Å; D69-L73 WeakPolarHBondContact O-CB 3.18Å; D69-L73 WeakPolarHBondContact O-CD1 3.27Å; D69-L73 WeakPolarHBondContact O-CG 3.25Å; D69-L73 PolarHBondContact O-N 3.47Å |
| 70 | G | 60.1 | Low | 61 | Low | 40 Ų | 40 | 101 Ų | 101 | 41% | 0.412 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -62.3 | -44.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113 | S66 L67 Q68 H74 | S66-G70 PolarHBondContact O-N 2.99Å; L67-G70 PolarHBondContact O-N 2.83Å; Q68-G70 VanDerWaalsContact C-N 3.3Å; Q68-G70 PolarHBondContact O-N 3.28Å; G70-H74 WeakPolarHBondContact O-CB 3.39Å; G70-H74 PolarHBondContact O-N 2.99Å |
| 71 | L | 64.1 | Low | 61.9 | Low | 95 Ų | 95 | 104.8 Ų | 104.8 | 50% | 0.497 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -70.2 | -42 | 178.3 | -68.5 | 171.9 | 0 | 0 | 0 | 111.9 | L67 Q68 H74 I75 | L67-L71 HydrophobicContact CG-CD1 4.4Å; L67-L71 WeakPolarHBondContact O-CG 3.07Å; L67-L71 PolarHBondContact O-N 3.18Å; L67-L71 VanDerWaalsContact O-N 3.08Å; Q68-L71 PolarHBondContact O-N 3.38Å; L71-H74 PolarHBondContact O-N 3.12Å; L71-I75 VanDerWaalsContact O-CB 3.32Å; L71-I75 WeakPolarHBondContact O-CB 3.19Å; L71-I75 WeakPolarHBondContact O-CD1 3.33Å; L71-I75 WeakPolarHBondContact O-CG1 3.19Å; L71-I75 PolarHBondContact O-N 2.66Å |
| 72 | A | 62.2 | Low | 62.8 | Low | 55 Ų | 55 | 100.6 Ų | 100.6 | 46% | 0.455 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -67.4 | -40.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q68 S76 | Q68-A72 WeakPolarHBondContact O-CB 3.16Å; Q68-A72 PolarHBondContact O-N 3.43Å; A72-S76 WeakPolarHBondContact O-CB 3.17Å; A72-S76 PolarHBondContact O-N 3.45Å; A72-S76 PolarHBondContact O-OG 3.14Å |
| 73 | L | 67.1 | Low | 63.4 | Low | 118 Ų | 118 | 96.9 Ų | 96.9 | 62% | 0.618 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -66.5 | -40.3 | 173 | -71.1 | 172.5 | 0 | 0 | 0 | 111.3 | D69 S76 S77 | D69-L73 WeakPolarHBondContact O-CB 3.18Å; D69-L73 WeakPolarHBondContact O-CD1 3.27Å; D69-L73 WeakPolarHBondContact O-CG 3.25Å; D69-L73 PolarHBondContact O-N 3.47Å; L73-S76 WeakPolarHBondContact CA-OG 3.18Å; L73-S76 PolarHBondContact O-OG 2.83Å; L73-S77 WeakPolarHBondContact O-CB 3.32Å; L73-S77 PolarHBondContact O-N 3.12Å |
| 74 | H | 69.1 | Low | 63.8 | Low | 124 Ų | 124 | 97 Ų | 97 | 57% | 0.574 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -64.8 | -48.4 | 177 | -172.4 | -151.9 | 0 | 0 | 0 | 111.1 | G70 L71 S77 W78 | G70-H74 WeakPolarHBondContact O-CB 3.39Å; G70-H74 PolarHBondContact O-N 2.99Å; L71-H74 PolarHBondContact O-N 3.12Å; H74-S77 PolarHBondContact O-N 3.22Å; H74-W78 WeakPolarHBondContact O-CB 3.35Å; H74-W78 PolarHBondContact O-N 2.85Å |
| 75 | I | 73.9 | Confident | 64.1 | Low | 99 Ų | 99 | 99.7 Ų | 99.7 | 51% | 0.508 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -63 | -47.1 | 177.9 | -68.1 | 162.3 | 0 | 0 | 0 | 110.9 | L71 S77 W78 I79 | L71-I75 VanDerWaalsContact O-CB 3.32Å; L71-I75 WeakPolarHBondContact O-CB 3.19Å; L71-I75 WeakPolarHBondContact O-CD1 3.33Å; L71-I75 WeakPolarHBondContact O-CG1 3.19Å; L71-I75 PolarHBondContact O-N 2.66Å; I75-S77 PolarHBondContact O-N 3.13Å; I75-W78 WeakPolarHBondContact O-CB 3.48Å; I75-W78 PolarHBondContact O-N 3.06Å; I75-I79 HydrophobicContact CG2-CD1 3.64Å; I75-I79 HydrophobicContact CG2-CG1 4.35Å; I75-I79 WeakPolarHBondContact O-CB 3.49Å; I75-I79 VanDerWaalsContact O-CG1 3.27Å; I75-I79 WeakPolarHBondContact O-CG1 3.46Å; I75-I79 PolarHBondContact O-N 2.99Å |
| 76 | S | 67.6 | Low | 64.5 | Low | 46 Ų | 46 | 101 Ų | 101 | 32% | 0.322 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -66.6 | -35.9 | 179.1 | 61.9 | 0 | 0 | 0 | 0 | 112.5 | A72 L73 K80 | A72-S76 WeakPolarHBondContact O-CB 3.17Å; A72-S76 PolarHBondContact O-N 3.45Å; A72-S76 PolarHBondContact O-OG 3.14Å; L73-S76 WeakPolarHBondContact CA-OG 3.18Å; L73-S76 PolarHBondContact O-OG 2.83Å; S76-K80 VanDerWaalsContact O-CB 3.25Å; S76-K80 WeakPolarHBondContact O-CB 3.12Å; S76-K80 WeakPolarHBondContact O-CG 3.32Å; S76-K80 PolarHBondContact O-N 3.05Å |
| 77 | S | 70.5 | Confident | 64.5 | Low | 55 Ų | 55 | 103.8 Ų | 103.8 | 39% | 0.385 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -64.2 | -41.3 | 171.1 | -179 | 0 | 0 | 0 | 0 | 111.4 | L73 H74 I75 K80 R81 | L73-S77 WeakPolarHBondContact O-CB 3.32Å; L73-S77 PolarHBondContact O-N 3.12Å; H74-S77 PolarHBondContact O-N 3.22Å; I75-S77 PolarHBondContact O-N 3.13Å; S77-K80 PolarHBondContact O-N 2.94Å; S77-R81 WeakPolarHBondContact O-CB 3.21Å; S77-R81 PolarHBondContact O-N 3.14Å |
| 78 | W | 69.9 | Low | 64.3 | Low | 175 Ų | 175 | 101 Ų | 101 | 66% | 0.663 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -66.7 | -43.9 | 178 | -142.7 | 78.8 | 0 | 0 | 0 | 111.8 | H74 I75 R81 S82 | H74-W78 WeakPolarHBondContact O-CB 3.35Å; H74-W78 PolarHBondContact O-N 2.85Å; I75-W78 WeakPolarHBondContact O-CB 3.48Å; I75-W78 PolarHBondContact O-N 3.06Å; W78-R81 PolarHBondContact O-N 3.3Å; W78-S82 WeakPolarHBondContact O-CB 3.27Å; W78-S82 PolarHBondContact O-N 2.9Å; W78-S82 PolarHBondContact O-OG 2.81Å |
| 79 | I | 73.8 | Confident | 64 | Low | 69 Ų | 69 | 100.2 Ų | 100.2 | 35% | 0.354 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -64.7 | -44.9 | 176 | -68 | 167 | 0 | 0 | 0 | 110.6 | I75 R81 S82 G83 S84 | I75-I79 HydrophobicContact CG2-CD1 3.64Å; I75-I79 HydrophobicContact CG2-CG1 4.35Å; I75-I79 WeakPolarHBondContact O-CB 3.49Å; I75-I79 VanDerWaalsContact O-CG1 3.27Å; I75-I79 WeakPolarHBondContact O-CG1 3.46Å; I75-I79 PolarHBondContact O-N 2.99Å; I79-R81 PolarHBondContact O-N 2.81Å; I79-S82 WeakPolarHBondContact CA-OG 3.34Å; I79-S82 PolarHBondContact O-N 2.77Å; I79-S82 PolarHBondContact O-OG 3.06Å; I79-G83 PolarHBondContact O-N 2.92Å; I79-G83 VanDerWaalsContact O-N 3.14Å; I79-S84 PolarHBondContact O-N 3.2Å |
| 80 | K | 69.8 | Low | 63.7 | Low | 179 Ų | 179 | 104.1 Ų | 104.1 | 78% | 0.778 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -64 | -38.4 | 177 | -76.1 | 178.2 | -177.4 | -168.6 | 0 | 112.4 | S76 S77 | S76-K80 VanDerWaalsContact O-CB 3.25Å; S76-K80 WeakPolarHBondContact O-CB 3.12Å; S76-K80 WeakPolarHBondContact O-CG 3.32Å; S76-K80 PolarHBondContact O-N 3.05Å; S77-K80 PolarHBondContact O-N 2.94Å |
| 81 | R | 71.6 | Confident | 62.9 | Low | 210 Ų | 210 | 107.3 Ų | 107.3 | 79% | 0.792 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -76.6 | -35 | 179.2 | -175.7 | 178.4 | -118.1 | 103.6 | -2.3 | 112.8 | S77 W78 I79 G83 | S77-R81 WeakPolarHBondContact O-CB 3.21Å; S77-R81 PolarHBondContact O-N 3.14Å; W78-R81 PolarHBondContact O-N 3.3Å; I79-R81 PolarHBondContact O-N 2.81Å; R81-G83 VanDerWaalsContact C-N 3.3Å |
| 82 | S | 71.9 | Confident | 61.9 | Low | 67 Ų | 67 | 107.9 Ų | 107.9 | 47% | 0.469 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -81.9 | -6.3 | 179.3 | 58.4 | 0 | 0 | 0 | 0 | 113.5 | W78 I79 S84 | W78-S82 WeakPolarHBondContact O-CB 3.27Å; W78-S82 PolarHBondContact O-N 2.9Å; W78-S82 PolarHBondContact O-OG 2.81Å; I79-S82 WeakPolarHBondContact CA-OG 3.34Å; I79-S82 PolarHBondContact O-N 2.77Å; I79-S82 PolarHBondContact O-OG 3.06Å; S82-S84 PolarHBondContact O-N 2.99Å; S82-S84 VanDerWaalsContact O-N 3.12Å |
| 83 | G | 63.8 | Low | 61.2 | Low | 58 Ų | 58 | 110.8 Ų | 110.8 | 60% | 0.598 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 60.7 | 22.2 | -180 | 0 | 0 | 0 | 0 | 0 | 113 | I79 R81 V85 | I79-G83 PolarHBondContact O-N 2.92Å; I79-G83 VanDerWaalsContact O-N 3.14Å; R81-G83 VanDerWaalsContact C-N 3.3Å; G83-V85 PolarHBondContact O-N 2.91Å |
| 84 | S | 62.6 | Low | 60 | Low | 70 Ų | 70 | 114.1 Ų | 114.1 | 49% | 0.49 | 64% | 0.64 | S | S | . | * | | | trans | -72.8 | 98.5 | -179.4 | -168.5 | 0 | 0 | 0 | 0 | 108.9 | I79 S82 V86 | I79-S84 PolarHBondContact O-N 3.2Å; S82-S84 PolarHBondContact O-N 2.99Å; S82-S84 VanDerWaalsContact O-N 3.12Å; S84-V86 PolarHBondContact O-N 3.13Å; S84-V86 VanDerWaalsContact O-N 3.12Å |
| 85 | V | 59.5 | Low | 58.8 | Low | 125 Ų | 125 | 113.2 Ų | 113.2 | 76% | 0.758 | 65% | 0.647 | S | S | * | * | | | trans | -69.7 | 103.4 | 166.6 | -177.6 | 0 | 0 | 0 | 0 | 105.9 | G83 L87 | G83-V85 PolarHBondContact O-N 2.91Å; V85-L87 VanDerWaalsContact C-N 3.27Å; V85-L87 PolarHBondContact O-N 3.07Å |
| 86 | V | 60.4 | Low | 58 | Low | 108 Ų | 108 | 113.4 Ų | 113.4 | 66% | 0.655 | 66% | 0.655 | S | S | * | * | | | trans | -59.9 | 101.7 | 162.9 | 174.1 | 0 | 0 | 0 | 0 | 105.3 | S84 G88 | S84-V86 PolarHBondContact O-N 3.13Å; S84-V86 VanDerWaalsContact O-N 3.12Å; V86-G88 PolarHBondContact O-N 3.04Å |
| 87 | L | 53.7 | Low | 56.6 | Low | 159 Ų | 159 | 123 Ų | 123 | 83% | 0.832 | 69% | 0.685 | S | S | * | * | | | trans | -57 | 108.8 | 177.1 | -171.7 | 69.9 | 0 | 0 | 0 | 106 | V85 S89 | V85-L87 VanDerWaalsContact C-N 3.27Å; V85-L87 PolarHBondContact O-N 3.07Å; L87-S89 PolarHBondContact O-N 3Å |
| 88 | G | 46.8 | Very low | 55.4 | Low | 58 Ų | 58 | 124.3 Ų | 124.3 | 60% | 0.598 | 71% | 0.706 | S | S | * | * | | | trans | -45.4 | 117.6 | -168.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | V86 H90 | V86-G88 PolarHBondContact O-N 3.04Å; G88-H90 PolarHBondContact O-N 2.85Å |
| 89 | S | 49.1 | Very low | 54.3 | Low | 96 Ų | 96 | 120.7 Ų | 120.7 | 67% | 0.671 | 71% | 0.713 | S | S | * | * | | | trans | -65.7 | 98.8 | 156.5 | -49.7 | 0 | 0 | 0 | 0 | 105.1 | L87 C91 | L87-S89 PolarHBondContact O-N 3Å; S89-C91 PolarHBondContact O-N 3.26Å |
| 90 | H | 49.4 | Very low | 53.4 | Low | 181 Ų | 181 | 126 Ų | 126 | 84% | 0.838 | 74% | 0.742 | S | S | * | * | | | trans | -59.5 | 85.6 | 154.4 | -98.4 | -91.6 | 0 | 0 | 0 | 106.3 | G88 S92 | G88-H90 PolarHBondContact O-N 2.85Å; H90-S92 PolarHBondContact O-N 3.43Å |
| 91 | C | 44.2 | Very low | 52.6 | Low | 107 Ų | 107 | 120.7 Ų | 120.7 | 72% | 0.723 | 74% | 0.738 | S | S | * | * | | | trans | -74.8 | 70.9 | 167.8 | -63.7 | 0 | 0 | 0 | 0 | 107.2 | S89 S93 | S89-C91 PolarHBondContact O-N 3.26Å; C91-S93 PolarHBondContact O-N 3.33Å |
| 92 | S | 43.6 | Very low | 51.7 | Low | 107 Ų | 107 | 118.5 Ų | 118.5 | 75% | 0.748 | 74% | 0.742 | S | S | * | * | | | trans | -76.2 | 77.8 | 157.1 | -73.6 | 0 | 0 | 0 | 0 | 107 | H90 E94 | H90-S92 PolarHBondContact O-N 3.43Å; S92-E94 VanDerWaalsContact C-N 3.27Å; S92-E94 PolarHBondContact O-N 3.23Å; S92-E94 VanDerWaalsContact O-N 3.07Å |
| 93 | S | 47 | Very low | 51.1 | Low | 115 Ų | 115 | 125.1 Ų | 125.1 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | | | trans | -71.6 | 91.3 | 161 | 55.5 | 0 | 0 | 0 | 0 | 107.1 | C91 | C91-S93 PolarHBondContact O-N 3.33Š|
| 94 | E | 42.6 | Very low | 50.6 | Low | 189 Ų | 189 | 128.2 Ų | 128.2 | 88% | 0.883 | 77% | 0.772 | S | S | * | * | | | trans | -83.1 | 138.4 | 167.1 | -162.5 | 174 | 98 | 0 | 0 | 109.2 | S92 | S92-E94 VanDerWaalsContact C-N 3.27Å; S92-E94 PolarHBondContact O-N 3.23Å; S92-E94 VanDerWaalsContact O-N 3.07Å |
| 95 | S | 44 | Very low | 50.5 | Low | 104 Ų | 104 | 132.6 Ų | 132.6 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | | | trans | 112.5 | 146.5 | 161.4 | -159.5 | 0 | 0 | 0 | 0 | 116 | | |
| 96 | P | 55.4 | Low | 50.3 | Low | 104 Ų | 104 | 131.9 Ų | 131.9 | 68% | 0.675 | 78% | 0.782 | S | S | * | * | | | cis | -135.8 | 143.7 | -31.6 | 30.9 | -13.3 | 0 | 0 | 0 | 113.2 | | |
| 97 | R | 39.4 | Very low | 50.2 | Low | 248 Ų | 248 | 135.2 Ų | 135.2 | 94% | 0.936 | 79% | 0.791 | S | S | * | * | | | trans | 163.4 | 114 | 138.3 | -95.4 | 170.8 | -159.7 | -105.9 | 0.6 | 111.2 | | |
| 98 | G | 45.6 | Very low | 50.5 | Low | 81 Ų | 81 | 139.1 Ų | 139.1 | 84% | 0.835 | 79% | 0.794 | S | S | * | * | | | trans | 43.8 | 107.5 | 145.4 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 99 | A | 46.5 | Very low | 50.8 | Low | 99 Ų | 99 | 145.1 Ų | 145.1 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | | | | 176 | 125.8 | 115.4 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 100 | L | 54.8 | Low | 51.3 | Low | 182 Ų | 182 | 152.3 Ų | 152.3 | 95% | 0.953 | 82% | 0.816 | S | S | * | * | | | trans | 40.5 | 111.5 | 137.4 | -161.4 | 74.5 | 0 | 0 | 0 | 118.7 | | |
| 101 | G | 52.9 | Low | 51.6 | Low | 67 Ų | 67 | 152.7 Ų | 152.7 | 69% | 0.691 | 82% | 0.816 | S | S | * | * | | | trans | 133.2 | 108.2 | 148 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 102 | D | 52.6 | Low | 52.8 | Low | 164 Ų | 164 | 159.2 Ų | 159.2 | 88% | 0.877 | 84% | 0.841 | S | S | * | * | | | trans | 55.7 | 109 | 151.4 | -66.5 | -40.8 | 0 | 0 | 0 | 121 | P104 | D102-P104 WeakPolarHBondContact O-CD 3.02Š|
| 103 | K | 58.3 | Low | 53.3 | Low | 205 Ų | 205 | 161.8 Ų | 161.8 | 89% | 0.891 | 85% | 0.846 | S | S | * | * | | | trans | -67.7 | 120.9 | 160.9 | -65.6 | 172 | 175 | 176 | 0 | 109.6 | H105 | K103-H105 PolarHBondContact O-N 3.43Š|
| 104 | P | 54.9 | Low | 53.6 | Low | 123 Ų | 123 | 164.3 Ų | 164.3 | 80% | 0.799 | 85% | 0.848 | S | S | * | * | | | trans | -75.7 | 109 | 160.6 | 28.5 | -28.6 | 0 | 0 | 0 | 108.7 | D102 | D102-P104 WeakPolarHBondContact O-CD 3.02Š|
| 105 | H | 60 | Low | 54.2 | Low | 162 Ų | 162 | 162.9 Ų | 162.9 | 75% | 0.75 | 85% | 0.846 | S | S | * | * | | | trans | -57.9 | 130.2 | 167.7 | -165.3 | -11.3 | 0 | 0 | 0 | 109.1 | K103 Q107 | K103-H105 PolarHBondContact O-N 3.43Å; H105-Q107 PolarHBondContact O-N 2.86Å |
| 106 | P | 54.6 | Low | 54.8 | Low | 110 Ų | 110 | 166.4 Ų | 166.4 | 71% | 0.714 | 85% | 0.853 | S | S | * | * | | | trans | -68.9 | 102.1 | 172 | 25.6 | -32.2 | 0 | 0 | 0 | 108.4 | R108 | P106-R108 PolarHBondContact O-N 3.13Å; P106-R108 VanDerWaalsContact O-N 3.14Å |
| 107 | Q | 58.9 | Low | 54.8 | Low | 179 Ų | 179 | 170.3 Ų | 170.3 | 84% | 0.836 | 86% | 0.864 | S | S | * | * | | | trans | -68.4 | 111.3 | 169.1 | -70.9 | -161.9 | 58.3 | 0 | 0 | 108 | H105 F109 | H105-Q107 PolarHBondContact O-N 2.86Å; Q107-F109 PolarHBondContact O-N 3.41Å |
| 108 | R | 58.7 | Low | 55.8 | Low | 240 Ų | 240 | 165.1 Ų | 165.1 | 91% | 0.906 | 86% | 0.859 | S | S | * | * | | | trans | -49.8 | 123.6 | 168.8 | -83.5 | 173.8 | 160.2 | 144 | -6.3 | 109.6 | P106 R110 | P106-R108 PolarHBondContact O-N 3.13Å; P106-R108 VanDerWaalsContact O-N 3.14Å; R108-R110 PolarHBondContact O-N 3.03Å |
| 109 | F | 53.8 | Low | 56.5 | Low | 185 Ų | 185 | 171.1 Ų | 171.1 | 81% | 0.811 | 86% | 0.861 | S | S | * | * | | | trans | -56.4 | 119.1 | 168.3 | -71.1 | -90.8 | 0 | 0 | 0 | 109.7 | Q107 F111 | Q107-F109 PolarHBondContact O-N 3.41Å; F109-F111 HydrophobicContact CB-CD2 4.42Å; F109-F111 HydrophobicContact CB-CE2 4.06Å |
| 110 | R | 60.2 | Low | 57.3 | Low | 246 Ų | 246 | 176.6 Ų | 176.6 | 93% | 0.928 | 86% | 0.864 | S | S | * | * | | | trans | -86.4 | 109 | 159.5 | -82.8 | -171.3 | 152 | 158.1 | -3.9 | 107.2 | R108 | R108-R110 PolarHBondContact O-N 3.03Š|
| 111 | F | 55.8 | Low | 57.5 | Low | 189 Ų | 189 | 176.2 Ų | 176.2 | 83% | 0.829 | 86% | 0.857 | S | S | * | * | | | trans | -72.7 | 132.4 | 162.3 | -71.2 | -89.1 | 0 | 0 | 0 | 107.9 | F109 | F109-F111 HydrophobicContact CB-CD2 4.42Å; F109-F111 HydrophobicContact CB-CE2 4.06Å |
| 112 | I | 69.6 | Low | 57.9 | Low | 244 Ų | 244 | 186.1 Ų | 186.1 | 100% | 1.251 | 87% | 0.872 | S | S | * | * | | | trans | -66.6 | 0 | 172.3 | -0 | 173.5 | 0 | 0 | 0 | 110 | | |