| 1 | M | 67.3 | Low | 73.7 | Confident | 223 Ų | 223 | 126.6 Ų | 126.6 | 100% | 1.099 | 67% | 0.674 | S | S | * | * | | | | 0 | -27.2 | 0 | -80.4 | -169 | 160.3 | 0 | 0 | 114.3 | L3 | M1-L3 PolarHBondContact O-N 3.35Š|
| 2 | I | 77.4 | Confident | 72.8 | Confident | 150 Ų | 150 | 125.7 Ų | 125.7 | 77% | 0.769 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -69.8 | -30.1 | -176.9 | -60.6 | 171.2 | 0 | 0 | 0 | 113.2 | Y4 G5 | I2-Y4 VanDerWaalsContact C-N 3.32Å; I2-Y4 PolarHBondContact O-N 3.44Å; I2-G5 PolarHBondContact O-N 3.28Å |
| 3 | L | 71.4 | Confident | 72 | Confident | 145 Ų | 145 | 125.5 Ų | 125.5 | 76% | 0.759 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -66.7 | -26.7 | 179.9 | -90.9 | 151.1 | 0 | 0 | 0 | 114.6 | M1 | M1-L3 PolarHBondContact O-N 3.35Å |
| 4 | Y | 75.2 | Confident | 71.2 | Confident | 195 Ų | 195 | 123.1 Ų | 123.1 | 77% | 0.765 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -79.9 | -26.3 | 176.9 | -83.3 | -85.7 | 0 | 0 | 0 | 112.9 | I2 F8 | I2-Y4 VanDerWaalsContact C-N 3.32Å; I2-Y4 PolarHBondContact O-N 3.44Å; Y4-F8 PolarHBondContact O-N 3.49Å |
| 5 | G | 78.9 | Confident | 70.5 | Confident | 39 Ų | 39 | 120.5 Ų | 120.5 | 40% | 0.402 | 68% | 0.681 | S | S | . | * | H | α-helix | trans | -70.5 | -34.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | I2 L9 | I2-G5 PolarHBondContact O-N 3.28Å; G5-L9 PolarHBondContact O-N 3.33Å |
| 6 | V | 80.3 | Confident | 69.1 | Low | 91 Ų | 91 | 116.8 Ų | 116.8 | 55% | 0.552 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -74.9 | -36.4 | 179.5 | -178 | 0 | 0 | 0 | 0 | 111.4 | F8 L9 V10 | V6-F8 VanDerWaalsContact C-N 3.35Å; V6-F8 PolarHBondContact O-N 3.17Å; V6-L9 PolarHBondContact O-N 3.2Å; V6-V10 WeakPolarHBondContact O-CG2 3.39Å; V6-V10 PolarHBondContact O-N 3.32Å; V6-V10 VanDerWaalsContact O-N 3.17Å |
| 7 | L | 74.5 | Confident | 68 | Low | 124 Ų | 124 | 120.6 Ų | 120.6 | 65% | 0.649 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -67.2 | -33.3 | 175 | -91.5 | 154.1 | 0 | 0 | 0 | 112.9 | G11 | L7-G11 PolarHBondContact O-N 3.42Å |
| 8 | F | 74.5 | Confident | 67 | Low | 154 Ų | 154 | 124.4 Ų | 124.4 | 68% | 0.675 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -72 | -33.6 | 177.4 | -153.4 | -96.1 | 0 | 0 | 0 | 112.7 | Y4 V6 L12 | Y4-F8 PolarHBondContact O-N 3.49Å; V6-F8 VanDerWaalsContact C-N 3.35Å; V6-F8 PolarHBondContact O-N 3.17Å; F8-L12 HydrophobicContact CD1-CD1 3.89Å; F8-L12 HydrophobicContact CE1-CD1 3.71Å; F8-L12 PolarHBondContact O-N 3.27Å |
| 9 | L | 70.2 | Confident | 66.1 | Low | 124 Ų | 124 | 127.5 Ų | 127.5 | 65% | 0.649 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -73.8 | -32.9 | 175.8 | -87.7 | 159.4 | 0 | 0 | 0 | 113.1 | G5 V6 | G5-L9 PolarHBondContact O-N 3.33Å; V6-L9 PolarHBondContact O-N 3.2Å |
| 10 | V | 73.7 | Confident | 65.1 | Low | 102 Ų | 102 | 132.3 Ų | 132.3 | 62% | 0.618 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -72.4 | -31.3 | 174.4 | 176.5 | 0 | 0 | 0 | 0 | 111.6 | V6 | V6-V10 WeakPolarHBondContact O-CG2 3.39Å; V6-V10 PolarHBondContact O-N 3.32Å; V6-V10 VanDerWaalsContact O-N 3.17Å |
| 11 | G | 67.7 | Low | 64 | Low | 46 Ų | 46 | 133.6 Ų | 133.6 | 47% | 0.474 | 72% | 0.718 | S | S | . | * | H | α-helix | trans | -71 | -32.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | L7 | L7-G11 PolarHBondContact O-N 3.42Å |
| 12 | L | 61.9 | Low | 63 | Low | 115 Ų | 115 | 130.9 Ų | 130.9 | 60% | 0.602 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -77.6 | -22.4 | -179 | -97 | 158.5 | 0 | 0 | 0 | 113.9 | F8 | F8-L12 HydrophobicContact CD1-CD1 3.89Å; F8-L12 HydrophobicContact CE1-CD1 3.71Å; F8-L12 PolarHBondContact O-N 3.27Å |
| 13 | V | 62.8 | Low | 61.6 | Low | 124 Ų | 124 | 132.1 Ų | 132.1 | 75% | 0.752 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -80.4 | -18.9 | 176.5 | 175 | 0 | 0 | 0 | 0 | 112.2 | | |
| 14 | A | 61 | Low | 59.9 | Low | 91 Ų | 91 | 132.9 Ų | 132.9 | 75% | 0.752 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -90.9 | -4.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 15 | A | 60.5 | Low | 57.9 | Low | 85 Ų | 85 | 127.6 Ų | 127.6 | 70% | 0.702 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -109.1 | 8 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 16 | G | 48.7 | Very low | 56.1 | Low | 60 Ų | 60 | 134.5 Ų | 134.5 | 62% | 0.619 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -92.7 | 125.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 17 | E | 49.5 | Very low | 53.9 | Low | 182 Ų | 182 | 140 Ų | 140 | 85% | 0.85 | 74% | 0.743 | S | S | * | * | | | trans | 88.5 | 55.4 | 169.2 | -51.6 | -163.5 | 135.7 | 0 | 0 | 118.3 | | |
| 18 | Q | 51 | Low | 52 | Low | 190 Ų | 190 | 141 Ų | 141 | 89% | 0.888 | 75% | 0.749 | S | S | * | * | | | trans | -87.1 | 94.7 | 146.4 | -88.7 | -175.2 | -22.4 | 0 | 0 | 109.4 | | |
| 19 | K | 48.9 | Very low | 50.1 | Low | 182 Ų | 182 | 139.6 Ų | 139.6 | 79% | 0.791 | 76% | 0.757 | S | S | * | * | | | trans | -78.8 | 131.8 | 162.4 | -95.1 | 173.9 | 178.4 | 161.3 | 0 | 108.7 | D21 | K19-D21 PolarHBondContact O-N 3.42Š|
| 20 | W | 47.1 | Very low | 48.1 | Very low | 224 Ų | 224 | 137.4 Ų | 137.4 | 85% | 0.848 | 77% | 0.765 | S | S | * | * | | | trans | -71.8 | 106.8 | -179.3 | -72.5 | 60.4 | 0 | 0 | 0 | 110.1 | H22 | W20-H22 PolarHBondContact O-N 3.27Š|
| 21 | D | 41.8 | Very low | 46.1 | Very low | 160 Ų | 160 | 137.8 Ų | 137.8 | 86% | 0.856 | 77% | 0.767 | S | S | * | * | | | trans | -78.8 | 100.8 | 160.4 | -79 | -34.5 | 0 | 0 | 0 | 108.1 | K19 | K19-D21 PolarHBondContact O-N 3.42Š|
| 22 | H | 47 | Very low | 44.2 | Very low | 165 Ų | 165 | 145.6 Ų | 145.6 | 76% | 0.764 | 79% | 0.788 | S | S | * | * | | | trans | -93.4 | 119.8 | 166.4 | -114.7 | -43.8 | 0 | 0 | 0 | 109.5 | W20 | W20-H22 PolarHBondContact O-N 3.27Š|
| 23 | H | 46.2 | Very low | 42.7 | Very low | 176 Ų | 176 | 143.1 Ų | 143.1 | 82% | 0.815 | 79% | 0.791 | S | S | * | * | | | trans | -43.5 | 136.4 | -177.1 | -83.3 | -88.3 | 0 | 0 | 0 | 117 | | |
| 24 | D | 37.4 | Very low | 41.3 | Very low | 161 Ų | 161 | 144.3 Ų | 144.3 | 86% | 0.861 | 80% | 0.797 | S | S | * | * | | | trans | -43.9 | 134.4 | 159.7 | -69.7 | -60.2 | 0 | 0 | 0 | 114.4 | | |
| 25 | A | 32.7 | Very low | 39.8 | Very low | 84 Ų | 84 | 142.8 Ų | 142.8 | 69% | 0.694 | 79% | 0.791 | S | S | * | * | | | | 178.2 | 75 | 129 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 26 | H | 41.1 | Very low | 38.6 | Very low | 184 Ų | 184 | 143 Ų | 143 | 85% | 0.852 | 79% | 0.785 | S | S | * | * | | | trans | -141.9 | 114.2 | 154.9 | -83.8 | -71.5 | 0 | 0 | 0 | 111.3 | D28 | H26-D28 PolarHBondContact O-N 2.71Š|
| 27 | K | 34 | Very low | 37.7 | Very low | 207 Ų | 207 | 144.2 Ų | 144.2 | 90% | 0.9 | 80% | 0.798 | S | S | * | * | | | trans | -69 | 98.6 | 170.7 | -74.4 | 174.8 | 175.4 | 172.6 | 0 | 108.6 | | |
| 28 | D | 35.2 | Very low | 36.8 | Very low | 145 Ų | 145 | 145 Ų | 145 | 78% | 0.775 | 79% | 0.794 | S | S | * | * | | | trans | -132.2 | 123.9 | 166.5 | -80.1 | -48.1 | 0 | 0 | 0 | 112.2 | H26 G30 | H26-D28 PolarHBondContact O-N 2.71Å; D28-G30 PolarHBondContact O-N 3Å |
| 29 | C | 32.8 | Very low | 36.2 | Very low | 124 Ų | 124 | 145.2 Ų | 145.2 | 84% | 0.838 | 80% | 0.795 | S | S | * | * | | | trans | -73.4 | 88.5 | -174 | -55.4 | 0 | 0 | 0 | 0 | 109.6 | V31 | C29-V31 PolarHBondContact O-N 3.46Š|
| 30 | G | 28.2 | Very low | 35.5 | Very low | 78 Ų | 78 | 144.8 Ų | 144.8 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | | | trans | -65.7 | 92.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | D28 K32 | D28-G30 PolarHBondContact O-N 3Å; G30-K32 PolarHBondContact O-N 3.36Å |
| 31 | V | 32.3 | Very low | 35.1 | Very low | 110 Ų | 110 | 137.3 Ų | 137.3 | 67% | 0.667 | 78% | 0.775 | S | S | * | * | | | trans | -75.2 | 103.7 | 160.4 | 176.6 | 0 | 0 | 0 | 0 | 107.6 | C29 G33 | C29-V31 PolarHBondContact O-N 3.46Å; V31-G33 VanDerWaalsContact C-N 3.31Å; V31-G33 PolarHBondContact O-N 3.02Å |
| 32 | K | 29 | Very low | 35.1 | Very low | 210 Ų | 210 | 136.6 Ų | 136.6 | 91% | 0.913 | 77% | 0.766 | S | S | * | * | | | trans | -71.1 | 88.5 | 164.9 | -81.2 | -179.4 | 174.8 | 174.6 | 0 | 108.8 | G30 | G30-K32 PolarHBondContact O-N 3.36Š|
| 33 | G | 30.3 | Very low | 34.7 | Very low | 64 Ų | 64 | 134.5 Ų | 134.5 | 66% | 0.66 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 116 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | V31 | V31-G33 VanDerWaalsContact C-N 3.31Å; V31-G33 PolarHBondContact O-N 3.02Å |
| 34 | V | 32.7 | Very low | 35.3 | Very low | 148 Ų | 148 | 128.5 Ų | 128.5 | 90% | 0.897 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 126.4 | 169.7 | -174.7 | 0 | 0 | 0 | 0 | 108.3 | | |
| 35 | G | 29.9 | Very low | 35.8 | Very low | 59 Ų | 59 | 133 Ų | 133 | 61% | 0.608 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 164.5 | -172.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 36 | P | 35.5 | Very low | 37.1 | Very low | 90 Ų | 90 | 132.4 Ų | 132.4 | 58% | 0.584 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 127.1 | -161.3 | 0.6 | 18.9 | 0 | 0 | 0 | 111.6 | Y38 | P36-Y38 HydrophobicContact CB-CD2 3.99Å; P36-Y38 HydrophobicContact CB-CE2 3.5Å; P36-Y38 HydrophobicContact CG-CD2 4.4Å; P36-Y38 HydrophobicContact CG-CE2 3.54Å; P36-Y38 WeakPolarHBondContact O-CD2 3.16Å; P36-Y38 PolarHBondContact O-N 3.26Å; P36-Y38 VanDerWaalsContact O-N 3.14Å |
| 37 | G | 28.2 | Very low | 37.5 | Very low | 86 Ų | 86 | 126 Ų | 126 | 89% | 0.887 | 72% | 0.72 | S | S | * | * | | | trans | -70.7 | 99.1 | 161.7 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 38 | Y | 31 | Very low | 38.2 | Very low | 198 Ų | 198 | 122.1 Ų | 122.1 | 78% | 0.776 | 71% | 0.705 | S | S | * | * | | | trans | -86.2 | 117.8 | 169 | -66.6 | -83.2 | 0 | 0 | 0 | 109.6 | P36 K40 | P36-Y38 HydrophobicContact CB-CD2 3.99Å; P36-Y38 HydrophobicContact CB-CE2 3.5Å; P36-Y38 HydrophobicContact CG-CD2 4.4Å; P36-Y38 HydrophobicContact CG-CE2 3.54Å; P36-Y38 WeakPolarHBondContact O-CD2 3.16Å; P36-Y38 PolarHBondContact O-N 3.26Å; P36-Y38 VanDerWaalsContact O-N 3.14Å; Y38-K40 PolarHBondContact O-N 3.47Å |
| 39 | E | 38 | Very low | 38.6 | Very low | 194 Ų | 194 | 122.4 Ų | 122.4 | 91% | 0.907 | 70% | 0.7 | S | S | * | * | | | trans | -75.3 | 117.1 | 162 | -153.9 | 171 | -158.9 | 0 | 0 | 107 | S41 | E39-S41 PolarHBondContact O-N 3.19Š|
| 40 | K | 36.2 | Very low | 39.1 | Very low | 174 Ų | 174 | 124.7 Ų | 124.7 | 76% | 0.757 | 70% | 0.695 | S | S | * | * | | | trans | -55.9 | 107.5 | -178.2 | -75.5 | -178.9 | 176.6 | 179.8 | 0 | 110.2 | Y38 H42 | Y38-K40 PolarHBondContact O-N 3.47Å; K40-H42 PolarHBondContact O-N 2.97Å |
| 41 | S | 37.5 | Very low | 39.6 | Very low | 67 Ų | 67 | 123.7 Ų | 123.7 | 47% | 0.469 | 69% | 0.685 | S | S | . | * | | | trans | -75.8 | 115.4 | 160.8 | 52.9 | 0 | 0 | 0 | 0 | 108.5 | E39 F49 | E39-S41 PolarHBondContact O-N 3.19Å; S41-F49 VanDerWaalsContact CB-CE1 3.46Å |
| 42 | H | 41.9 | Very low | 39.7 | Very low | 144 Ų | 144 | 122.1 Ų | 122.1 | 67% | 0.667 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 129.9 | 169.6 | -76.9 | -89 | 0 | 0 | 0 | 109.4 | K40 | K40-H42 PolarHBondContact O-N 2.97Š|
| 43 | L | 39.2 | Very low | 40 | Very low | 121 Ų | 121 | 116.9 Ų | 116.9 | 63% | 0.634 | 69% | 0.687 | S | S | * | * | B | Isolated β-bridge | trans | -68.6 | 134.3 | 161.3 | -95.2 | 87 | 0 | 0 | 0 | 108.1 | F49 | L43-F49 HydrophobicContact CD1-CE2 4.48Å |
| 44 | D | 58.4 | Low | 40.3 | Very low | 50 Ų | 50 | 124.6 Ų | 124.6 | 27% | 0.267 | 70% | 0.696 | S | S | . | * | P | Polyproline II helix | trans | -75.3 | 163.4 | 160.5 | 63.4 | 19.3 | 0 | 0 | 0 | 110.2 | A46 G47 H48 | D44-A46 PolarHBondContact O-N 3.35Å; D44-A46 PolarHBondContact OD1-N 3.4Å; D44-G47 PolarHBondContact O-N 3.06Å; D44-G47 PolarHBondContact OD1-N 2.94Å; D44-H48 WeakPolarHBondContact OD1-CA 3.22Å; D44-H48 WeakPolarHBondContact OD1-CB 3.28Å; D44-H48 PolarHBondContact OD1-N 3.35Å |
| 45 | Y | 47.7 | Very low | 40.5 | Very low | 255 Ų | 255 | 126.9 Ų | 126.9 | 100% | 1 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.2 | -8.7 | -178.9 | -132.7 | -90.9 | 0 | 0 | 0 | 113.4 | | |
| 46 | A | 59.9 | Low | 41 | Very low | 72 Ų | 72 | 133.1 Ų | 133.1 | 60% | 0.595 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105 | 4.9 | 180 | 0 | 0 | 0 | 0 | 0 | 113.5 | D44 H48 | D44-A46 PolarHBondContact O-N 3.35Å; D44-A46 PolarHBondContact OD1-N 3.4Å; A46-H48 VanDerWaalsContact C-N 3.31Å; A46-H48 PolarHBondContact O-N 3.47Å |
| 47 | G | 50.2 | Low | 40.9 | Very low | 51 Ų | 51 | 136.1 Ų | 136.1 | 53% | 0.526 | 72% | 0.715 | S | S | . | * | | | trans | 73.1 | 19.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | D44 | D44-G47 PolarHBondContact O-N 3.06Å; D44-G47 PolarHBondContact OD1-N 2.94Å |
| 48 | H | 48.2 | Very low | 41.3 | Very low | 124 Ų | 124 | 136.2 Ų | 136.2 | 57% | 0.574 | 70% | 0.7 | S | S | * | * | | | trans | -95.3 | 127.7 | 176.8 | -66.9 | -22 | 0 | 0 | 0 | 111.8 | D44 A46 K50 | D44-H48 WeakPolarHBondContact OD1-CA 3.22Å; D44-H48 WeakPolarHBondContact OD1-CB 3.28Å; D44-H48 PolarHBondContact OD1-N 3.35Å; A46-H48 VanDerWaalsContact C-N 3.31Å; A46-H48 PolarHBondContact O-N 3.47Å; H48-K50 PolarHBondContact O-N 2.96Å |
| 49 | F | 43.9 | Very low | 41.9 | Very low | 152 Ų | 152 | 133.9 Ų | 133.9 | 67% | 0.667 | 70% | 0.699 | S | S | * | * | B | Isolated β-bridge | trans | -71.8 | 109.7 | 171.5 | -118.7 | -92.7 | 0 | 0 | 0 | 109.7 | S41 L43 | S41-F49 VanDerWaalsContact CB-CE1 3.46Å; L43-F49 HydrophobicContact CD1-CE2 4.48Å |
| 50 | K | 43.6 | Very low | 41.7 | Very low | 172 Ų | 172 | 134 Ų | 134 | 75% | 0.748 | 69% | 0.693 | S | S | * | * | | | trans | -109.3 | 88.1 | 166.3 | -82.7 | 177.9 | 178.4 | 159.6 | 0 | 109.3 | H48 | H48-K50 PolarHBondContact O-N 2.96Š|
| 51 | G | 38.8 | Very low | 41.8 | Very low | 57 Ų | 57 | 132.8 Ų | 132.8 | 59% | 0.588 | 69% | 0.687 | S | S | * | * | | | trans | -158.3 | 130.4 | 179 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 52 | G | 34.3 | Very low | 41.7 | Very low | 77 Ų | 77 | 138.6 Ų | 138.6 | 79% | 0.794 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 170 | -167.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | R54 | G52-R54 PolarHBondContact O-N 3.43Š|
| 53 | A | 33.7 | Very low | 41.8 | Very low | 99 Ų | 99 | 135.9 Ų | 135.9 | 82% | 0.818 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -47.4 | 125.8 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | K55 | A53-K55 PolarHBondContact O-N 3.34Š|
| 54 | R | 37.1 | Very low | 41.5 | Very low | 226 Ų | 226 | 139.2 Ų | 139.2 | 85% | 0.853 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 119.2 | 169.8 | -71.8 | 177.3 | 161.5 | -172.1 | -6.5 | 110.2 | G52 | G52-R54 PolarHBondContact O-N 3.43Š|
| 55 | K | 37.8 | Very low | 40.8 | Very low | 196 Ų | 196 | 141 Ų | 141 | 85% | 0.852 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -100.7 | 121.8 | 163 | -68.5 | -177.2 | -178.7 | 179.3 | 0 | 107.8 | A53 | A53-K55 PolarHBondContact O-N 3.34Š|
| 56 | F | 39.1 | Very low | 40.3 | Very low | 190 Ų | 190 | 134.8 Ų | 134.8 | 83% | 0.833 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 126.3 | 167.9 | -69.3 | -88.1 | 0 | 0 | 0 | 108.5 | | |
| 57 | L | 34.7 | Very low | 39.2 | Very low | 154 Ų | 154 | 139.8 Ų | 139.8 | 81% | 0.806 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 135.7 | 167.1 | -79.6 | 153.9 | 0 | 0 | 0 | 108.3 | | |
| 58 | P | 36.8 | Very low | 38.6 | Very low | 87 Ų | 87 | 144.1 Ų | 144.1 | 57% | 0.565 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 136 | 175 | 25.7 | -31.5 | 0 | 0 | 0 | 110.6 | Y60 | P58-Y60 HydrophobicContact CG-CE2 4.18Š|
| 59 | I | 42.9 | Very low | 38 | Very low | 149 Ų | 149 | 146.7 Ų | 146.7 | 76% | 0.764 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -92.7 | 125.2 | 172.6 | -59.5 | 173.7 | 0 | 0 | 0 | 107.7 | | |
| 60 | Y | 33.9 | Very low | 37.7 | Very low | 196 Ų | 196 | 144.1 Ų | 144.1 | 77% | 0.769 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -95.5 | 123.6 | 174 | -60.6 | -86.7 | 0 | 0 | 0 | 109.7 | P58 | P58-Y60 HydrophobicContact CG-CE2 4.18Š|
| 61 | K | 38 | Very low | 37.4 | Very low | 149 Ų | 149 | 141 Ų | 141 | 65% | 0.648 | 74% | 0.739 | S | S | * | * | | | trans | -108.5 | 115.7 | 167 | -170 | 176.2 | -178.7 | 178.8 | 0 | 108.4 | V63 | K61-V63 HydrophobicContact CD-CG2 4.47Å; K61-V63 HydrophobicContact CG-CG2 4.24Å; K61-V63 PolarHBondContact O-N 3.31Å |
| 62 | K | 36.6 | Very low | 37.3 | Very low | 189 Ų | 189 | 144 Ų | 144 | 82% | 0.822 | 75% | 0.746 | S | S | * | * | | | trans | -78.2 | 117.1 | 175.3 | -140.7 | 172.7 | -172.2 | 176 | 0 | 108.4 | | |
| 63 | V | 42.3 | Very low | 37.3 | Very low | 88 Ų | 88 | 149.1 Ų | 149.1 | 53% | 0.533 | 75% | 0.746 | S | S | . | * | B | Isolated β-bridge | trans | -123.8 | 119.5 | 170.5 | -177.1 | 0 | 0 | 0 | 0 | 106.3 | K61 G65 | K61-V63 HydrophobicContact CD-CG2 4.47Å; K61-V63 HydrophobicContact CG-CG2 4.24Å; K61-V63 PolarHBondContact O-N 3.31Å; V63-G65 PolarHBondContact O-N 2.94Å |
| 64 | H | 34.3 | Very low | 37 | Very low | 191 Ų | 191 | 148 Ų | 148 | 88% | 0.884 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 19.9 | 93.8 | 174.2 | -81.5 | -82.1 | 0 | 0 | 0 | 117 | E66 | H64-E66 VanDerWaalsContact C-N 3.26Å; H64-E66 PolarHBondContact O-N 3.45Å |
| 65 | G | 42.6 | Very low | 36.5 | Very low | 88 Ų | 88 | 140.7 Ų | 140.7 | 91% | 0.907 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 74.8 | -13.4 | 157.7 | 0 | 0 | 0 | 0 | 0 | 118.4 | V63 | V63-G65 PolarHBondContact O-N 2.94Š|
| 66 | E | 37.8 | Very low | 36 | Very low | 124 Ų | 124 | 138 Ų | 138 | 58% | 0.579 | 74% | 0.744 | S | S | * | * | B | Isolated β-bridge | trans | -132.4 | 125.2 | 178.4 | -70.8 | -172.3 | 153.6 | 0 | 0 | 111.7 | H64 K68 | H64-E66 VanDerWaalsContact C-N 3.26Å; H64-E66 PolarHBondContact O-N 3.45Å; E66-K68 PolarHBondContact O-N 2.99Å; E66-K68 WeakPolarHBondContact OE2-CE 3.25Å; E66-K68 IonicContact OE2-NZ 2.99Å; E66-K68 PolarHBondContact OE2-NZ 3.31Å |
| 67 | E | 35.8 | Very low | 35.4 | Very low | 176 Ų | 176 | 132.4 Ų | 132.4 | 82% | 0.822 | 74% | 0.739 | S | S | * | * | | | trans | -73.2 | 108.7 | 171 | -66.6 | -174.6 | 163.5 | 0 | 0 | 109.5 | | |
| 68 | K | 38.3 | Very low | 35.3 | Very low | 143 Ų | 143 | 130 Ų | 130 | 62% | 0.622 | 74% | 0.742 | S | S | * | * | | | trans | -117.2 | 129 | 172.7 | -74.2 | 177.4 | -178.3 | 154.5 | 0 | 110.3 | E66 V70 | E66-K68 PolarHBondContact O-N 2.99Å; E66-K68 WeakPolarHBondContact OE2-CE 3.25Å; E66-K68 IonicContact OE2-NZ 2.99Å; E66-K68 PolarHBondContact OE2-NZ 3.31Å; K68-V70 PolarHBondContact O-N 3.13Å |
| 69 | E | 36.4 | Very low | 34.8 | Very low | 177 Ų | 177 | 134.3 Ų | 134.3 | 83% | 0.827 | 75% | 0.754 | S | S | * | * | | | trans | -66.8 | 118.5 | 174.5 | -172.6 | -178.4 | 175.8 | 0 | 0 | 109.6 | V71 | E69-V71 HydrophobicContact CG-CG2 4.41Š|
| 70 | V | 37.5 | Very low | 34.4 | Very low | 98 Ų | 98 | 134.6 Ų | 134.6 | 59% | 0.594 | 76% | 0.758 | S | S | * | * | | | trans | -120.2 | 104.2 | 171.9 | -177 | 0 | 0 | 0 | 0 | 108.2 | K68 V72 | K68-V70 PolarHBondContact O-N 3.13Å; V70-V72 HydrophobicContact CG1-CG2 4.07Å; V70-V72 PolarHBondContact O-N 3.45Å; V70-V72 VanDerWaalsContact O-N 3.11Å |
| 71 | V | 36.9 | Very low | 34.4 | Very low | 106 Ų | 106 | 134.4 Ų | 134.4 | 64% | 0.642 | 76% | 0.763 | S | S | * | * | | | trans | -76.4 | 95.4 | 171.8 | -179 | 0 | 0 | 0 | 0 | 108.4 | E69 K73 | E69-V71 HydrophobicContact CG-CG2 4.41Å; V71-K73 PolarHBondContact O-N 3.36Å |
| 72 | V | 36 | Very low | 34.1 | Very low | 121 Ų | 121 | 132.1 Ų | 132.1 | 73% | 0.733 | 76% | 0.763 | S | S | * | * | | | trans | -76.3 | 101.8 | 171 | -176.6 | 0 | 0 | 0 | 0 | 108.4 | V70 G74 | V70-V72 HydrophobicContact CG1-CG2 4.07Å; V70-V72 PolarHBondContact O-N 3.45Å; V70-V72 VanDerWaalsContact O-N 3.11Å; V72-G74 PolarHBondContact O-N 2.99Å; V72-G74 VanDerWaalsContact O-N 3.17Å |
| 73 | K | 33.8 | Very low | 34 | Very low | 184 Ų | 184 | 131.3 Ų | 131.3 | 80% | 0.8 | 76% | 0.763 | S | S | * | * | | | trans | -73.4 | 98.5 | 166.2 | -76.6 | -175.4 | 177.9 | 177.6 | 0 | 108.5 | V71 G75 | V71-K73 PolarHBondContact O-N 3.36Å; K73-G75 PolarHBondContact O-N 3.11Å |
| 74 | G | 27.8 | Very low | 33.7 | Very low | 75 Ų | 75 | 135.7 Ų | 135.7 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | | | trans | -70.5 | 109.8 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | V72 | V72-G74 PolarHBondContact O-N 2.99Å; V72-G74 VanDerWaalsContact O-N 3.17Å |
| 75 | G | 27.2 | Very low | 33.5 | Very low | 73 Ų | 73 | 135.3 Ų | 135.3 | 75% | 0.753 | 78% | 0.775 | S | S | * | * | | | trans | -92 | 141.5 | 164.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | K73 G77 | K73-G75 PolarHBondContact O-N 3.11Å; G75-G77 PolarHBondContact O-N 3.18Å |
| 76 | C | 27.6 | Very low | 33.2 | Very low | 141 Ų | 141 | 139.8 Ų | 139.8 | 95% | 0.953 | 77% | 0.773 | S | S | * | * | | | trans | -64.3 | 120.5 | 179.9 | -56.1 | 0 | 0 | 0 | 0 | 111.4 | | |
| 77 | G | 26.6 | Very low | 32.8 | Very low | 71 Ų | 71 | 142.3 Ų | 142.3 | 73% | 0.732 | 78% | 0.784 | S | S | * | * | | | trans | -130.4 | 89.5 | 161.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | G75 H79 | G75-G77 PolarHBondContact O-N 3.18Å; G77-H79 PolarHBondContact O-N 2.89Å |
| 78 | A | 31.7 | Very low | 32.8 | Very low | 105 Ų | 105 | 143 Ų | 143 | 87% | 0.868 | 79% | 0.787 | S | S | * | * | | | trans | -88.4 | 96.1 | 167.1 | 0 | 0 | 0 | 0 | 0 | 107.1 | | |
| 79 | H | 27.9 | Very low | 32.4 | Very low | 176 Ų | 176 | 145.9 Ų | 145.9 | 82% | 0.815 | 80% | 0.8 | S | S | * | * | | | trans | -115.4 | 109.1 | 159.8 | -91.1 | -78.3 | 0 | 0 | 0 | 105.7 | G77 | G77-H79 PolarHBondContact O-N 2.89Š|
| 80 | D | 33.5 | Very low | 32.1 | Very low | 156 Ų | 156 | 146 Ų | 146 | 83% | 0.834 | 80% | 0.8 | S | S | * | * | | | trans | -158.8 | 97.8 | 157.9 | -85.1 | -36 | 0 | 0 | 0 | 107.8 | | |
| 81 | H | 33.4 | Very low | 31.7 | Very low | 192 Ų | 192 | 150 Ų | 150 | 89% | 0.889 | 81% | 0.812 | S | S | * | * | | | trans | -145.1 | 116.7 | 148.3 | -103.4 | -63.3 | 0 | 0 | 0 | 107.1 | | |
| 82 | P | 32.5 | Very low | 31.5 | Very low | 100 Ų | 100 | 155 Ų | 155 | 65% | 0.649 | 82% | 0.82 | S | S | * | * | | | trans | -84.8 | 162.1 | 162.4 | 36.1 | -29.2 | 0 | 0 | 0 | 109.2 | | |
| 83 | E | 33.3 | Very low | 31.5 | Very low | 172 Ų | 172 | 157.2 Ų | 157.2 | 80% | 0.804 | 82% | 0.822 | S | S | * | * | | | trans | 82.9 | 93.7 | 168.5 | -52.2 | 179.1 | -176.3 | 0 | 0 | 116.3 | | |
| 84 | H | 36.6 | Very low | 31.4 | Very low | 180 Ų | 180 | 158 Ų | 158 | 83% | 0.833 | 83% | 0.825 | S | S | * | * | | | | -176 | 115.9 | 109.6 | -100.3 | -72.6 | 0 | 0 | 0 | 109.9 | H86 | H84-H86 PolarHBondContact O-N 3.24Š|
| 85 | E | 29.6 | Very low | 31.6 | Very low | 183 Ų | 183 | 166.5 Ų | 166.5 | 86% | 0.855 | 83% | 0.834 | S | S | * | * | | | trans | -58.5 | 126.5 | 159.9 | -68.6 | 177.9 | 142.5 | 0 | 0 | 108.7 | | |
| 86 | H | 36.5 | Very low | 31.8 | Very low | 183 Ų | 183 | 166.1 Ų | 166.1 | 85% | 0.847 | 83% | 0.83 | S | S | * | * | | | trans | -164.7 | 127.8 | 137.9 | -103.9 | -74.7 | 0 | 0 | 0 | 109.5 | H84 | H84-H86 PolarHBondContact O-N 3.24Š|
| 87 | H | 29.9 | Very low | 31.9 | Very low | 176 Ų | 176 | 165.4 Ų | 165.4 | 82% | 0.815 | 82% | 0.821 | S | S | * | * | | | trans | -47.6 | 140.4 | 173 | -66.9 | -91.1 | 0 | 0 | 0 | 113 | | |
| 88 | E | 35.1 | Very low | 32.3 | Very low | 192 Ų | 192 | 168.4 Ų | 168.4 | 90% | 0.897 | 83% | 0.825 | S | S | * | * | | | | -176.5 | 145.7 | 99.7 | -96.8 | -179.2 | 166.7 | 0 | 0 | 111.4 | | |
| 89 | K | 29.9 | Very low | 32.3 | Very low | 203 Ų | 203 | 170.6 Ų | 170.6 | 88% | 0.883 | 82% | 0.817 | S | S | * | * | | | trans | -76.8 | 136.3 | -177.2 | -66.2 | 164.9 | 175.6 | 172.6 | 0 | 109.3 | | |
| 90 | E | 31.2 | Very low | 32.7 | Very low | 178 Ų | 178 | 170.6 Ų | 170.6 | 83% | 0.832 | 82% | 0.817 | S | S | * | * | | | trans | -150.4 | 111.4 | 139.5 | -121.6 | -177.1 | 166.4 | 0 | 0 | 111.2 | | |
| 91 | E | 29.3 | Very low | 32.6 | Very low | 183 Ų | 183 | 169.8 Ų | 169.8 | 86% | 0.855 | 81% | 0.808 | S | S | * | * | | | trans | -58.1 | 149.6 | 158.4 | -68.2 | 176.3 | 123.1 | 0 | 0 | 109.3 | | |
| 92 | R | 32.3 | Very low | 32.9 | Very low | 212 Ų | 212 | 167.9 Ų | 167.9 | 80% | 0.8 | 81% | 0.805 | S | S | * | * | | | trans | -168.3 | 119.1 | 130.3 | -101.6 | 177.6 | -172.1 | 177.7 | 5.6 | 113.5 | | |
| 93 | H | 36.5 | Very low | 32.9 | Very low | 166 Ų | 166 | 169.5 Ų | 169.5 | 77% | 0.769 | 81% | 0.808 | S | S | * | * | | | trans | 78.6 | 98.9 | 144 | -69.9 | -66.2 | 0 | 0 | 0 | 123.1 | | |
| 94 | K | 31.5 | Very low | 33.2 | Very low | 200 Ų | 200 | 170.3 Ų | 170.3 | 87% | 0.87 | 81% | 0.811 | S | S | * | * | | | trans | -53.7 | 138.6 | 142.8 | -64.5 | 172.2 | 175.8 | 175.2 | 0 | 112.7 | | |
| 95 | R | 32.6 | Very low | 33.1 | Very low | 254 Ų | 254 | 169.8 Ų | 169.8 | 96% | 0.958 | 81% | 0.808 | S | S | * | * | | | trans | -144.1 | 105.5 | 142.3 | -86.6 | -175.8 | 176.9 | 179.8 | -1.2 | 105.3 | | |
| 96 | G | 31.5 | Very low | 33 | Very low | 65 Ų | 65 | 167.7 Ų | 167.7 | 67% | 0.67 | 80% | 0.803 | S | S | * | * | | | | 95 | 81.2 | 80.5 | 0 | 0 | 0 | 0 | 0 | 107.4 | | |
| 97 | V | 28.4 | Very low | 32.7 | Very low | 126 Ų | 126 | 164 Ų | 164 | 76% | 0.764 | 80% | 0.797 | S | S | * | * | | | | 36.9 | 101.5 | 95.9 | -172.8 | 0 | 0 | 0 | 0 | 112.8 | E99 | V97-E99 HydrophobicContact CG1-CG 4.23Š|
| 98 | V | 34.4 | Very low | 32.5 | Very low | 134 Ų | 134 | 165.6 Ų | 165.6 | 81% | 0.812 | 80% | 0.802 | S | S | * | * | | | trans | -126.7 | 106.7 | 146.4 | 171.8 | 0 | 0 | 0 | 0 | 105.1 | | |
| 99 | E | 33 | Very low | 32.1 | Very low | 151 Ų | 151 | 167.4 Ų | 167.4 | 71% | 0.706 | 80% | 0.8 | S | S | * | * | | | trans | -78.8 | 125.6 | 166.6 | -75.3 | 176 | 154.7 | 0 | 0 | 108.1 | V97 | V97-E99 HydrophobicContact CG1-CG 4.23Š|
| 100 | H | 36.6 | Very low | 31.9 | Very low | 176 Ų | 176 | 167 Ų | 167 | 82% | 0.815 | 80% | 0.798 | S | S | * | * | | | trans | -120.7 | 108.5 | 150.7 | -109.2 | -78.7 | 0 | 0 | 0 | 106.4 | | |
| 101 | H | 30.3 | Very low | 31.6 | Very low | 139 Ų | 139 | 162.1 Ų | 162.1 | 64% | 0.644 | 80% | 0.797 | S | S | * | * | | | trans | -61.5 | 128.6 | 163.7 | -89.1 | -92.1 | 0 | 0 | 0 | 108.7 | | |
| 102 | D | 39.3 | Very low | 31.5 | Very low | 153 Ų | 153 | 159.6 Ų | 159.6 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | | | trans | -154 | 117.9 | 145 | -86.1 | -40.5 | 0 | 0 | 0 | 108.5 | H104 | D102-H104 PolarHBondContact O-N 3.28Š|
| 103 | D | 33.3 | Very low | 31.3 | Very low | 134 Ų | 134 | 152.3 Ų | 152.3 | 72% | 0.717 | 78% | 0.784 | S | S | * | * | | | trans | -67.5 | 111.1 | -176.3 | -65.3 | -56.8 | 0 | 0 | 0 | 111.4 | | |
| 104 | H | 39.2 | Very low | 31.1 | Very low | 188 Ų | 188 | 149.4 Ų | 149.4 | 87% | 0.87 | 78% | 0.78 | S | S | * | * | | | trans | -143.8 | 121.4 | 157.2 | -85.7 | -62.4 | 0 | 0 | 0 | 112.6 | D102 | D102-H104 PolarHBondContact O-N 3.28Š|
| 105 | H | 33.7 | Very low | 31 | Very low | 169 Ų | 169 | 143.7 Ų | 143.7 | 78% | 0.782 | 78% | 0.778 | S | S | * | * | | | trans | -58.4 | 145.9 | -179.4 | -77.8 | -92 | 0 | 0 | 0 | 114.6 | | |
| 106 | D | 28.8 | Very low | 30.8 | Very low | 139 Ų | 139 | 142 Ų | 142 | 74% | 0.743 | 77% | 0.773 | S | S | * | * | | | trans | 56.6 | 83.1 | 144.7 | -59.5 | -28.9 | 0 | 0 | 0 | 119 | | |
| 107 | C | 29.1 | Very low | 30.9 | Very low | 107 Ų | 107 | 146.8 Ų | 146.8 | 72% | 0.723 | 78% | 0.778 | S | S | * | * | | | trans | -168.4 | 79.6 | 140.9 | -100 | 0 | 0 | 0 | 0 | 110.6 | W109 | C107-W109 VanDerWaalsContact C-N 3.3Å; C107-W109 PolarHBondContact O-N 3.37Å |
| 108 | K | 26.9 | Very low | 31.1 | Very low | 209 Ų | 209 | 149.9 Ų | 149.9 | 91% | 0.909 | 78% | 0.781 | S | S | * | * | | | trans | -71.9 | 85.3 | 169.9 | -82 | -179.6 | 179.5 | 167.5 | 0 | 110.4 | K110 | K108-K110 PolarHBondContact O-N 3.09Š|
| 109 | W | 26.9 | Very low | 31.1 | Very low | 230 Ų | 230 | 146.7 Ų | 146.7 | 87% | 0.871 | 77% | 0.765 | S | S | * | * | | | trans | -75.5 | 97.4 | 161.7 | -71.5 | 46.4 | 0 | 0 | 0 | 107.9 | C107 G111 | C107-W109 VanDerWaalsContact C-N 3.3Å; C107-W109 PolarHBondContact O-N 3.37Å; W109-G111 PolarHBondContact O-N 3.38Å |
| 110 | K | 25.4 | Very low | 31.1 | Very low | 193 Ų | 193 | 147.7 Ų | 147.7 | 84% | 0.839 | 77% | 0.769 | S | S | * | * | | | trans | -84.6 | 89.2 | 161.2 | -82.4 | -169.9 | 174.4 | -176.3 | 0 | 108.1 | K108 V112 | K108-K110 PolarHBondContact O-N 3.09Å; K110-V112 PolarHBondContact O-N 3.36Å |
| 111 | G | 24.1 | Very low | 30.8 | Very low | 77 Ų | 77 | 145.5 Ų | 145.5 | 79% | 0.794 | 76% | 0.763 | S | S | * | * | | | trans | -60.2 | 123.7 | 166.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | W109 | W109-G111 PolarHBondContact O-N 3.38Š|
| 112 | V | 28 | Very low | 31.5 | Very low | 129 Ų | 129 | 141.6 Ų | 141.6 | 78% | 0.782 | 75% | 0.746 | S | S | * | * | | | trans | -115.3 | 99.2 | 167.7 | -175.2 | 0 | 0 | 0 | 0 | 106 | K110 | K110-V112 PolarHBondContact O-N 3.36Š|
| 113 | G | 27 | Very low | 31.4 | Very low | 59 Ų | 59 | 146.3 Ų | 146.3 | 61% | 0.608 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 158.1 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | G115 | G113-G115 PolarHBondContact O-N 3.12Š|
| 114 | P | 33.9 | Very low | 32.3 | Very low | 106 Ų | 106 | 143.1 Ų | 143.1 | 69% | 0.688 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 123.8 | -176.5 | 27.5 | -31 | 0 | 0 | 0 | 110.3 | Y116 | P114-Y116 WeakPolarHBondContact O-CD2 3.41Å; P114-Y116 PolarHBondContact O-N 3.17Å |
| 115 | G | 28.4 | Very low | 32.3 | Very low | 79 Ų | 79 | 136.5 Ų | 136.5 | 81% | 0.814 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 121.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | G113 | G113-G115 PolarHBondContact O-N 3.12Š|
| 116 | Y | 29.4 | Very low | 32.8 | Very low | 219 Ų | 219 | 134.4 Ų | 134.4 | 86% | 0.859 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -78 | 121.6 | 171.6 | -63.7 | -92.3 | 0 | 0 | 0 | 109.1 | P114 | P114-Y116 WeakPolarHBondContact O-CD2 3.41Å; P114-Y116 PolarHBondContact O-N 3.17Å |
| 117 | E | 32.8 | Very low | 33.1 | Very low | 165 Ų | 165 | 135.2 Ų | 135.2 | 77% | 0.771 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -89.4 | 123.5 | 166.9 | -156.9 | 171.5 | -163 | 0 | 0 | 107.1 | S119 R132 | E117-S119 PolarHBondContact O-N 3.27Å; E117-R132 IonicContact OE2-NH2 2.96Å |
| 118 | K | 33.4 | Very low | 33.6 | Very low | 192 Ų | 192 | 139.1 Ų | 139.1 | 84% | 0.835 | 72% | 0.722 | S | S | * | * | | | trans | -51.5 | 111.2 | -178.6 | -78.9 | 177.1 | 175.4 | 177.9 | 0 | 110.5 | H120 | K118-H120 PolarHBondContact O-N 3.38Š|
| 119 | S | 32.6 | Very low | 34.1 | Very low | 67 Ų | 67 | 132.2 Ų | 132.2 | 47% | 0.469 | 71% | 0.709 | S | S | . | * | | | trans | -76.1 | 114.9 | 163.5 | 50.7 | 0 | 0 | 0 | 0 | 108.8 | E117 L121 F127 | E117-S119 PolarHBondContact O-N 3.27Å; S119-L121 PolarHBondContact O-N 3.32Å; S119-F127 VanDerWaalsContact OG-CZ 3.24Å; S119-F127 WeakPolarHBondContact OG-CZ 3.44Å |
| 120 | H | 35 | Very low | 34.5 | Very low | 172 Ų | 172 | 124.7 Ų | 124.7 | 80% | 0.796 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 123.8 | 168.6 | -78.9 | -91 | 0 | 0 | 0 | 109.6 | K118 | K118-H120 PolarHBondContact O-N 3.38Š|
| 121 | L | 29.5 | Very low | 34.8 | Very low | 130 Ų | 130 | 120.7 Ų | 120.7 | 68% | 0.681 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 134.5 | 162.5 | -81.2 | 117 | 0 | 0 | 0 | 108.6 | S119 | S119-L121 PolarHBondContact O-N 3.32Š|
| 122 | D | 44.4 | Very low | 35.2 | Very low | 57 Ų | 57 | 126.2 Ų | 126.2 | 31% | 0.305 | 70% | 0.703 | S | S | . | * | P | Polyproline II helix | trans | -73.3 | 162.2 | 160 | 57.8 | 14 | 0 | 0 | 0 | 109.6 | A124 G125 H126 | D122-A124 PolarHBondContact O-N 3.38Å; D122-G125 PolarHBondContact O-N 3.46Å; D122-G125 PolarHBondContact OD1-N 3.05Å; D122-H126 WeakPolarHBondContact OD1-CA 3.24Å; D122-H126 PolarHBondContact OD1-N 3.38Å |
| 123 | Y | 37.3 | Very low | 35.5 | Very low | 251 Ų | 251 | 129.9 Ų | 129.9 | 98% | 0.984 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.1 | -5.1 | -177.8 | -140.5 | -92.8 | 0 | 0 | 0 | 113.6 | | |
| 124 | A | 52 | Low | 35.9 | Very low | 68 Ų | 68 | 136.3 Ų | 136.3 | 56% | 0.562 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.2 | 5.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | D122 H126 | D122-A124 PolarHBondContact O-N 3.38Å; A124-H126 PolarHBondContact O-N 3.1Å |
| 125 | G | 40.3 | Very low | 35.9 | Very low | 49 Ų | 49 | 138.8 Ų | 138.8 | 51% | 0.505 | 73% | 0.727 | S | S | . | * | | | trans | 75 | 20.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | D122 | D122-G125 PolarHBondContact O-N 3.46Å; D122-G125 PolarHBondContact OD1-N 3.05Å |
| 126 | H | 42.9 | Very low | 36.1 | Very low | 125 Ų | 125 | 138.8 Ų | 138.8 | 58% | 0.579 | 71% | 0.713 | S | S | * | * | | | trans | -104.1 | 120.2 | -175.2 | -70.1 | -24.5 | 0 | 0 | 0 | 113 | D122 A124 K128 | D122-H126 WeakPolarHBondContact OD1-CA 3.24Å; D122-H126 PolarHBondContact OD1-N 3.38Å; A124-H126 PolarHBondContact O-N 3.1Å; H126-K128 PolarHBondContact O-N 3.14Å |
| 127 | F | 35.9 | Very low | 36.3 | Very low | 155 Ų | 155 | 135.9 Ų | 135.9 | 68% | 0.68 | 71% | 0.71 | S | S | * | * | | | trans | -72.5 | 109.6 | 174.3 | -132.1 | -92.2 | 0 | 0 | 0 | 110.4 | S119 | S119-F127 VanDerWaalsContact OG-CZ 3.24Å; S119-F127 WeakPolarHBondContact OG-CZ 3.44Å |
| 128 | K | 38.9 | Very low | 36.3 | Very low | 190 Ų | 190 | 135.9 Ų | 135.9 | 83% | 0.826 | 70% | 0.704 | S | S | * | * | | | trans | -105.5 | 74.4 | 170.2 | -82.9 | 177.5 | 179.2 | 160.1 | 0 | 110.6 | H126 | H126-K128 PolarHBondContact O-N 3.14Š|
| 129 | G | 38.2 | Very low | 36.3 | Very low | 63 Ų | 63 | 134.9 Ų | 134.9 | 65% | 0.649 | 70% | 0.7 | S | S | * | * | | | trans | -116.2 | 117.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 130 | G | 34.6 | Very low | 36.5 | Very low | 73 Ų | 73 | 139.8 Ų | 139.8 | 75% | 0.753 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 152.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | R132 | G130-R132 PolarHBondContact O-N 3.18Š|
| 131 | A | 32.7 | Very low | 36.7 | Very low | 109 Ų | 109 | 135.7 Ų | 135.7 | 90% | 0.901 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 119.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 132 | R | 33 | Very low | 37 | Very low | 192 Ų | 192 | 138.4 Ų | 138.4 | 73% | 0.725 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 129.2 | 170.3 | -74.3 | -179.1 | 162.6 | -172.2 | -4.1 | 110.2 | E117 G130 | E117-R132 IonicContact OE2-NH2 2.96Å; G130-R132 PolarHBondContact O-N 3.18Å |
| 133 | K | 33.9 | Very low | 36.8 | Very low | 206 Ų | 206 | 139.6 Ų | 139.6 | 90% | 0.896 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 125.9 | 164.6 | -67.7 | -178.9 | -179.3 | 179.3 | 0 | 108 | | |
| 134 | F | 35.7 | Very low | 36.8 | Very low | 195 Ų | 195 | 133.5 Ų | 133.5 | 86% | 0.855 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 129.9 | 169.6 | -66.4 | -89.2 | 0 | 0 | 0 | 109.1 | | |
| 135 | L | 32.4 | Very low | 36 | Very low | 158 Ų | 158 | 137.8 Ų | 137.8 | 83% | 0.827 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 135.4 | 165.3 | -77.1 | 158.6 | 0 | 0 | 0 | 107.9 | | |
| 136 | P | 34.2 | Very low | 35.7 | Very low | 78 Ų | 78 | 142.1 Ų | 142.1 | 51% | 0.506 | 73% | 0.728 | S | S | . | * | P | Polyproline II helix | trans | -62.2 | 136.8 | 175 | 24.1 | -30.9 | 0 | 0 | 0 | 110.5 | Y138 | P136-Y138 HydrophobicContact CB-CE2 4.24Å; P136-Y138 HydrophobicContact CG-CE2 3.94Å |
| 137 | I | 33.1 | Very low | 35.2 | Very low | 158 Ų | 158 | 143.4 Ų | 143.4 | 81% | 0.81 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -93.1 | 121 | 171.6 | -58.9 | 174 | 0 | 0 | 0 | 107 | | |
| 138 | Y | 31.7 | Very low | 35.2 | Very low | 165 Ų | 165 | 141.3 Ų | 141.3 | 65% | 0.647 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -94 | 125.8 | 173.3 | -61.1 | -84.6 | 0 | 0 | 0 | 109.5 | P136 | P136-Y138 HydrophobicContact CB-CE2 4.24Å; P136-Y138 HydrophobicContact CG-CE2 3.94Å |
| 139 | K | 35.2 | Very low | 35 | Very low | 172 Ų | 172 | 137.3 Ų | 137.3 | 75% | 0.748 | 73% | 0.725 | S | S | * | * | | | trans | -105.3 | 115.3 | 168 | -171.2 | 179.2 | 179.7 | -179.2 | 0 | 108.1 | V141 | K139-V141 HydrophobicContact CD-CG2 4.29Å; K139-V141 HydrophobicContact CG-CG2 4.12Å |
| 140 | K | 35.9 | Very low | 34.8 | Very low | 169 Ų | 169 | 140.1 Ų | 140.1 | 74% | 0.735 | 73% | 0.73 | S | S | * | * | | | trans | -79.1 | 118.9 | 174.2 | -138.8 | 173.2 | -171.2 | 174.1 | 0 | 108.5 | | |
| 141 | V | 40 | Very low | 34.7 | Very low | 87 Ų | 87 | 145.8 Ų | 145.8 | 53% | 0.527 | 73% | 0.734 | S | S | . | * | B | Isolated β-bridge | trans | -127.9 | 117 | 170.8 | -177 | 0 | 0 | 0 | 0 | 106.7 | K139 | K139-V141 HydrophobicContact CD-CG2 4.29Å; K139-V141 HydrophobicContact CG-CG2 4.12Å |
| 142 | H | 34.9 | Very low | 34.5 | Very low | 187 Ų | 187 | 144 Ų | 144 | 87% | 0.866 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 38.5 | 77.5 | 172.3 | -74.7 | -80.6 | 0 | 0 | 0 | 116.8 | E144 | H142-E144 VanDerWaalsContact C-N 3.26Å; H142-E144 PolarHBondContact O-N 3.11Å |
| 143 | G | 41.3 | Very low | 34.3 | Very low | 82 Ų | 82 | 138.4 Ų | 138.4 | 85% | 0.845 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 75.4 | -9.4 | 158 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 144 | E | 36.1 | Very low | 34 | Very low | 123 Ų | 123 | 135.4 Ų | 135.4 | 58% | 0.575 | 73% | 0.731 | S | S | * | * | B | Isolated β-bridge | trans | -129.8 | 129.2 | 175.9 | -69.8 | -172.9 | 159.5 | 0 | 0 | 111.6 | H142 K146 | H142-E144 VanDerWaalsContact C-N 3.26Å; H142-E144 PolarHBondContact O-N 3.11Å; E144-K146 PolarHBondContact O-N 3.38Å; E144-K146 VanDerWaalsContact OE2-CE 3.28Å; E144-K146 WeakPolarHBondContact OE2-CE 3.24Å; E144-K146 IonicContact OE2-NZ 2.71Å; E144-K146 PolarHBondContact OE2-NZ 3.48Å |
| 145 | E | 35.2 | Very low | 33.6 | Very low | 158 Ų | 158 | 129.3 Ų | 129.3 | 74% | 0.738 | 72% | 0.723 | S | S | * | * | | | trans | -77.8 | 113.9 | 171.9 | -67.1 | -177.9 | 167.7 | 0 | 0 | 109.6 | | |
| 146 | K | 34.5 | Very low | 33.6 | Very low | 140 Ų | 140 | 126.6 Ų | 126.6 | 61% | 0.609 | 72% | 0.724 | S | S | * | * | | | trans | -119 | 126.3 | 171.1 | -71.2 | 178.1 | -176.7 | 159 | 0 | 109.7 | E144 V148 | E144-K146 PolarHBondContact O-N 3.38Å; E144-K146 VanDerWaalsContact OE2-CE 3.28Å; E144-K146 WeakPolarHBondContact OE2-CE 3.24Å; E144-K146 IonicContact OE2-NZ 2.71Å; E144-K146 PolarHBondContact OE2-NZ 3.48Å; K146-V148 PolarHBondContact O-N 3.31Å |
| 147 | E | 32.7 | Very low | 33.4 | Very low | 151 Ų | 151 | 131.2 Ų | 131.2 | 71% | 0.706 | 74% | 0.738 | S | S | * | * | | | trans | -69.3 | 121.9 | 174.3 | -173.4 | -178.2 | 175.6 | 0 | 0 | 109.4 | V149 | E147-V149 HydrophobicContact CG-CG2 4.16Š|
| 148 | V | 35.5 | Very low | 33.4 | Very low | 111 Ų | 111 | 131.3 Ų | 131.3 | 67% | 0.673 | 74% | 0.74 | S | S | * | * | | | trans | -116.4 | 101.8 | 171 | -177.3 | 0 | 0 | 0 | 0 | 107.9 | K146 V150 | K146-V148 PolarHBondContact O-N 3.31Å; V148-V150 HydrophobicContact CG1-CG2 4.08Å; V148-V150 PolarHBondContact O-N 3.46Å; V148-V150 VanDerWaalsContact O-N 3.12Å |
| 149 | V | 34.2 | Very low | 33.6 | Very low | 106 Ų | 106 | 131.9 Ų | 131.9 | 64% | 0.642 | 75% | 0.749 | S | S | * | * | | | trans | -76.7 | 95.1 | 172.9 | -178.2 | 0 | 0 | 0 | 0 | 108.4 | E147 K151 | E147-V149 HydrophobicContact CG-CG2 4.16Å; V149-K151 PolarHBondContact O-N 3.15Å |
| 150 | V | 35.2 | Very low | 33.4 | Very low | 123 Ų | 123 | 129.3 Ų | 129.3 | 75% | 0.745 | 75% | 0.749 | S | S | * | * | | | trans | -77 | 101 | 169.3 | -176.2 | 0 | 0 | 0 | 0 | 108.1 | V148 G152 | V148-V150 HydrophobicContact CG1-CG2 4.08Å; V148-V150 PolarHBondContact O-N 3.46Å; V148-V150 VanDerWaalsContact O-N 3.12Å; V150-G152 PolarHBondContact O-N 3.36Å; V150-G152 VanDerWaalsContact O-N 3.11Å |
| 151 | K | 32 | Very low | 33.5 | Very low | 192 Ų | 192 | 129.5 Ų | 129.5 | 84% | 0.835 | 75% | 0.753 | S | S | * | * | | | trans | -68.6 | 102.9 | 163.9 | -77.9 | -174.7 | 178 | 177.1 | 0 | 107.8 | V149 G153 | V149-K151 PolarHBondContact O-N 3.15Å; K151-G153 PolarHBondContact O-N 3.35Å |
| 152 | G | 28.1 | Very low | 33.4 | Very low | 71 Ų | 71 | 133 Ų | 133 | 73% | 0.732 | 76% | 0.763 | S | S | * | * | | | trans | -63.8 | 112.9 | 166.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | V150 | V150-G152 PolarHBondContact O-N 3.36Å; V150-G152 VanDerWaalsContact O-N 3.11Å |
| 153 | G | 28.5 | Very low | 33.3 | Very low | 75 Ų | 75 | 131 Ų | 131 | 77% | 0.773 | 75% | 0.754 | S | S | * | * | | | trans | -74.5 | 142.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | K151 | K151-G153 PolarHBondContact O-N 3.35Š|
| 154 | C | 28.5 | Very low | 33.1 | Very low | 143 Ų | 143 | 134 Ų | 134 | 97% | 0.966 | 75% | 0.746 | S | S | * | * | | | trans | -74.8 | 124.3 | 165.7 | -61.8 | 0 | 0 | 0 | 0 | 108.4 | | |
| 155 | G | 26.7 | Very low | 32.9 | Very low | 66 Ų | 66 | 135.9 Ų | 135.9 | 68% | 0.68 | 75% | 0.754 | S | S | * | * | | | trans | -151.8 | 80.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 156 | A | 31.8 | Very low | 32.9 | Very low | 101 Ų | 101 | 137.6 Ų | 137.6 | 84% | 0.835 | 76% | 0.762 | S | S | * | * | | | trans | -94.4 | 105.9 | 152.9 | 0 | 0 | 0 | 0 | 0 | 105.5 | | |
| 157 | H | 30.1 | Very low | 33 | Very low | 175 Ų | 175 | 140.2 Ų | 140.2 | 81% | 0.81 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 118.8 | 169.5 | -80 | -93.8 | 0 | 0 | 0 | 108.4 | | |
| 158 | D | 34.5 | Very low | 33.1 | Very low | 161 Ų | 161 | 142 Ų | 142 | 86% | 0.861 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -96.1 | 137 | 152.4 | -77 | -36.1 | 0 | 0 | 0 | 108.2 | | |
| 159 | H | 34.3 | Very low | 32.9 | Very low | 177 Ų | 177 | 145.1 Ų | 145.1 | 82% | 0.819 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 151.6 | -165 | -87.6 | -97.5 | 0 | 0 | 0 | 115.2 | | |
| 160 | P | 31.6 | Very low | 32.9 | Very low | 118 Ų | 118 | 151.5 Ų | 151.5 | 77% | 0.766 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -89.2 | 125.6 | 169.2 | 34.1 | -25.9 | 0 | 0 | 0 | 110.2 | | |
| 161 | E | 38 | Very low | 32.8 | Very low | 173 Ų | 173 | 154 Ų | 154 | 81% | 0.808 | 81% | 0.805 | S | S | * | * | | | trans | -127.6 | 125.8 | 160.2 | -74.8 | -171.3 | 169 | 0 | 0 | 109.1 | | |
| 162 | H | 37.5 | Very low | 33.2 | Very low | 159 Ų | 159 | 153.4 Ų | 153.4 | 74% | 0.736 | 80% | 0.803 | S | S | * | * | | | trans | 41.9 | 127.6 | 142 | -66.6 | -93.7 | 0 | 0 | 0 | 117.4 | | |
| 163 | E | 34.1 | Very low | 33.6 | Very low | 145 Ų | 145 | 160.9 Ų | 160.9 | 68% | 0.678 | 81% | 0.809 | S | S | * | * | | | cis | 174.4 | 161 | 33.7 | -125.9 | 168.6 | -152.8 | 0 | 0 | 109.7 | | |
| 164 | H | 36.8 | Very low | 33.6 | Very low | 145 Ų | 145 | 160.8 Ų | 160.8 | 67% | 0.671 | 81% | 0.808 | S | S | * | * | | | trans | 72.5 | 105.7 | 153.3 | -77.8 | -78.1 | 0 | 0 | 0 | 122.6 | | |
| 165 | H | 32.3 | Very low | 33.8 | Very low | 163 Ų | 163 | 160.5 Ų | 160.5 | 76% | 0.755 | 80% | 0.801 | S | S | * | * | | | | 31.8 | 125.4 | 128.8 | -64.9 | -85.1 | 0 | 0 | 0 | 118.6 | | |
| 166 | E | 35.1 | Very low | 34.3 | Very low | 195 Ų | 195 | 163 Ų | 163 | 91% | 0.911 | 80% | 0.803 | S | S | * | * | | | | -165.7 | 150.5 | 78.7 | -105 | -174 | 144.5 | 0 | 0 | 113.2 | | |
| 167 | K | 35.2 | Very low | 34.4 | Very low | 194 Ų | 194 | 165.9 Ų | 165.9 | 84% | 0.843 | 80% | 0.799 | S | S | * | * | | | trans | -69 | 145 | 177.5 | -66.1 | 167.3 | 174.1 | 175.6 | 0 | 111.7 | | |
| 168 | Q | 34.7 | Very low | 34.7 | Very low | 189 Ų | 189 | 166.8 Ų | 166.8 | 88% | 0.883 | 80% | 0.803 | S | S | * | * | | | trans | -159.2 | 102.3 | 134.5 | -112.3 | 173.4 | 63.1 | 0 | 0 | 112 | | |
| 169 | E | 31.4 | Very low | 34.7 | Very low | 177 Ų | 177 | 165.5 Ų | 165.5 | 83% | 0.827 | 79% | 0.792 | S | S | * | * | | | trans | -69.5 | 135.1 | 157.2 | -78.8 | 176.1 | 124.5 | 0 | 0 | 110 | | |
| 170 | R | 35.2 | Very low | 35 | Very low | 240 Ų | 240 | 164.7 Ų | 164.7 | 91% | 0.906 | 79% | 0.794 | S | S | * | * | | | trans | -141 | 93.3 | 147.8 | -94.1 | -171 | 176 | -170.8 | 0.7 | 109.7 | | |
| 171 | H | 32.6 | Very low | 35.2 | Very low | 174 Ų | 174 | 165.3 Ų | 165.3 | 81% | 0.806 | 79% | 0.791 | S | S | * | * | | | trans | -78.7 | 138.3 | 152.1 | -97.3 | -85.3 | 0 | 0 | 0 | 109.4 | | |
| 172 | K | 40.4 | Very low | 35.3 | Very low | 181 Ų | 181 | 166.6 Ų | 166.6 | 79% | 0.787 | 80% | 0.796 | S | S | * | * | | | trans | -168.4 | 128.5 | 143.5 | -109.9 | 167.1 | -171.5 | 178.6 | 0 | 112.6 | | |
| 173 | R | 35.9 | Very low | 35.2 | Very low | 228 Ų | 228 | 166.6 Ų | 166.6 | 86% | 0.86 | 80% | 0.796 | S | S | * | * | | | trans | 77.5 | 120.5 | 153.7 | -59.1 | 171.2 | 179.3 | -177.6 | -2.5 | 115.8 | | |
| 174 | G | 28 | Very low | 35.1 | Very low | 73 Ų | 73 | 166.2 Ų | 166.2 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | | | cis | 91.2 | 94.4 | 12.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 175 | V | 34.6 | Very low | 34.9 | Very low | 137 Ų | 137 | 165.4 Ų | 165.4 | 83% | 0.83 | 81% | 0.808 | S | S | * | * | | | trans | -164.4 | 103.4 | 153.8 | 179.2 | 0 | 0 | 0 | 0 | 105 | | |
| 176 | V | 36.6 | Very low | 34.8 | Very low | 119 Ų | 119 | 167.9 Ų | 167.9 | 72% | 0.721 | 82% | 0.816 | S | S | * | * | | | | 77.7 | 104.2 | 76.8 | 179.1 | 0 | 0 | 0 | 0 | 114.2 | | |
| 177 | E | 34.2 | Very low | 34.2 | Very low | 160 Ų | 160 | 170.2 Ų | 170.2 | 75% | 0.748 | 82% | 0.817 | S | S | * | * | | | trans | 56.8 | 122 | 137.5 | -63.5 | 174.1 | 174.3 | 0 | 0 | 122.3 | | |
| 178 | H | 35.6 | Very low | 33.9 | Very low | 194 Ų | 194 | 168 Ų | 168 | 90% | 0.898 | 82% | 0.815 | S | S | * | * | | | | -152.3 | 128.4 | 120.3 | -116 | -80.2 | 0 | 0 | 0 | 110.4 | | |
| 179 | H | 34.9 | Very low | 33.4 | Very low | 135 Ų | 135 | 162.5 Ų | 162.5 | 63% | 0.625 | 81% | 0.809 | S | S | * | * | | | trans | -62.6 | 151.6 | 172.5 | -85.6 | -97.5 | 0 | 0 | 0 | 112.1 | | |
| 180 | D | 39.4 | Very low | 33.3 | Very low | 160 Ų | 160 | 161.1 Ų | 161.1 | 86% | 0.856 | 81% | 0.812 | S | S | * | * | | | | -172 | 128.1 | 120.6 | -84.4 | -29.4 | 0 | 0 | 0 | 110.6 | | |
| 181 | D | 37.6 | Very low | 32.9 | Very low | 131 Ų | 131 | 152.5 Ų | 152.5 | 70% | 0.701 | 80% | 0.798 | S | S | * | * | | | trans | -70.6 | 132.9 | -173.5 | -62.2 | -60.5 | 0 | 0 | 0 | 112.9 | | |
| 182 | H | 38.4 | Very low | 32.9 | Very low | 199 Ų | 199 | 149.3 Ų | 149.3 | 92% | 0.921 | 79% | 0.792 | S | S | * | * | | | trans | -148.7 | 133.4 | 148.7 | -92.2 | -64.5 | 0 | 0 | 0 | 112.2 | | |
| 183 | H | 36.6 | Very low | 32.2 | Very low | 160 Ų | 160 | 144.6 Ų | 144.6 | 74% | 0.741 | 80% | 0.795 | S | S | * | * | | | trans | -62.6 | 149.9 | -170.4 | -88.1 | -98.5 | 0 | 0 | 0 | 116.9 | | |
| 184 | D | 32.4 | Very low | 31.9 | Very low | 136 Ų | 136 | 143.8 Ų | 143.8 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | | | trans | 61.3 | 97.9 | 142.6 | -58.5 | -31.5 | 0 | 0 | 0 | 120.3 | | |
| 185 | C | 30.9 | Very low | 32.2 | Very low | 129 Ų | 129 | 149.5 Ų | 149.5 | 87% | 0.872 | 80% | 0.801 | S | S | * | * | | | | -170.7 | 104.5 | 126.1 | -93.8 | 0 | 0 | 0 | 0 | 109.8 | W187 | C185-W187 PolarHBondContact O-N 2.92Å; C185-W187 VanDerWaalsContact O-N 3.1Å |
| 186 | K | 30.4 | Very low | 32.2 | Very low | 214 Ų | 214 | 151.7 Ų | 151.7 | 93% | 0.93 | 80% | 0.799 | S | S | * | * | | | trans | -63.6 | 107.3 | 171.6 | -84.4 | 176.2 | 175.5 | 170.3 | 0 | 110.1 | | |
| 187 | W | 24.1 | Very low | 32 | Very low | 244 Ų | 244 | 150.5 Ų | 150.5 | 92% | 0.924 | 80% | 0.796 | S | S | * | * | | | trans | -100.6 | 116 | 160.1 | -153.8 | -5.2 | 0 | 0 | 0 | 108.4 | C185 G189 | C185-W187 PolarHBondContact O-N 2.92Å; C185-W187 VanDerWaalsContact O-N 3.1Å; W187-G189 PolarHBondContact O-N 3.13Å; W187-G189 VanDerWaalsContact O-N 3.14Å |
| 188 | N | 28.3 | Very low | 32.1 | Very low | 148 Ų | 148 | 151.3 Ų | 151.3 | 79% | 0.791 | 80% | 0.8 | S | S | * | * | | | trans | -69.3 | 107.1 | 167.7 | -75.2 | -20.8 | 0 | 0 | 0 | 108.2 | | |
| 189 | G | 24.6 | Very low | 31.8 | Very low | 74 Ų | 74 | 149.9 Ų | 149.9 | 76% | 0.763 | 80% | 0.798 | S | S | * | * | | | trans | -63.1 | 130.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | W187 | W187-G189 PolarHBondContact O-N 3.13Å; W187-G189 VanDerWaalsContact O-N 3.14Å |
| 190 | V | 28.9 | Very low | 31.9 | Very low | 148 Ų | 148 | 150.4 Ų | 150.4 | 90% | 0.897 | 81% | 0.805 | S | S | * | * | | | trans | -93.6 | 107.7 | 158.1 | -180 | 0 | 0 | 0 | 0 | 105.8 | | |
| 191 | G | 27.3 | Very low | 31.8 | Very low | 59 Ų | 59 | 154.7 Ų | 154.7 | 61% | 0.608 | 81% | 0.811 | S | S | * | * | | | trans | -64.4 | 154.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | G193 | G191-G193 PolarHBondContact O-N 2.95Š|
| 192 | P | 31 | Very low | 32.2 | Very low | 106 Ų | 106 | 152.3 Ų | 152.3 | 69% | 0.688 | 81% | 0.81 | S | S | * | * | | | trans | -79.9 | 113.8 | -176.7 | 29.8 | -29.2 | 0 | 0 | 0 | 111.1 | Y194 | P192-Y194 HydrophobicContact CB-CD2 3.8Å; P192-Y194 HydrophobicContact CB-CE2 3.37Å; P192-Y194 HydrophobicContact CG-CE2 4.33Å |
| 193 | G | 27.3 | Very low | 32 | Very low | 82 Ų | 82 | 146.5 Ų | 146.5 | 85% | 0.845 | 80% | 0.804 | S | S | * | * | | | trans | -94.4 | 86.7 | 166.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | G191 | G191-G193 PolarHBondContact O-N 2.95Š|
| 194 | Y | 29.8 | Very low | 32.1 | Very low | 211 Ų | 211 | 148 Ų | 148 | 83% | 0.827 | 81% | 0.808 | S | S | * | * | | | trans | -94.8 | 110.7 | 165.9 | -56.7 | -77.3 | 0 | 0 | 0 | 108.4 | P192 | P192-Y194 HydrophobicContact CB-CD2 3.8Å; P192-Y194 HydrophobicContact CB-CE2 3.37Å; P192-Y194 HydrophobicContact CG-CE2 4.33Å |
| 195 | E | 33 | Very low | 32.1 | Very low | 193 Ų | 193 | 150.7 Ų | 150.7 | 90% | 0.902 | 81% | 0.814 | S | S | * | * | | | trans | -96.3 | 120 | 167.8 | -156 | 167.8 | -157 | 0 | 0 | 108.4 | S197 | E195-S197 PolarHBondContact O-N 3.29Š|
| 196 | K | 35.2 | Very low | 32.3 | Very low | 184 Ų | 184 | 154.6 Ų | 154.6 | 80% | 0.8 | 82% | 0.816 | S | S | * | * | | | trans | -61.9 | 116.2 | 179.5 | -72.5 | 172.3 | 175.7 | 176.1 | 0 | 109.8 | | |
| 197 | S | 32.3 | Very low | 32.6 | Very low | 94 Ų | 94 | 147.4 Ų | 147.4 | 66% | 0.657 | 80% | 0.803 | S | S | * | * | | | trans | -80.4 | 113.9 | 160.3 | 55.7 | 0 | 0 | 0 | 0 | 109.3 | E195 | E195-S197 PolarHBondContact O-N 3.29Š|
| 198 | H | 35.7 | Very low | 32.9 | Very low | 176 Ų | 176 | 139.5 Ų | 139.5 | 82% | 0.815 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 137.5 | 165.5 | -88 | -103.5 | 0 | 0 | 0 | 110.1 | | |
| 199 | L | 29.9 | Very low | 33.1 | Very low | 165 Ų | 165 | 137.4 Ų | 137.4 | 86% | 0.864 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 123.7 | -178.9 | -109.5 | 121.3 | 0 | 0 | 0 | 110.8 | | |
| 200 | D | 37.6 | Very low | 33.5 | Very low | 146 Ų | 146 | 144.7 Ų | 144.7 | 78% | 0.781 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -86.5 | 139.9 | 164.9 | -73.2 | -23.9 | 0 | 0 | 0 | 111 | A202 | D200-A202 PolarHBondContact O-N 3.43Š|
| 201 | Y | 36.3 | Very low | 33.7 | Very low | 249 Ų | 249 | 147.3 Ų | 147.3 | 98% | 0.976 | 80% | 0.804 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.6 | 19.6 | -172.7 | -119.3 | -94 | 0 | 0 | 0 | 116.2 | | |
| 202 | A | 46.2 | Very low | 33.8 | Very low | 81 Ų | 81 | 154 Ų | 154 | 67% | 0.669 | 82% | 0.817 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.5 | 8.6 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | D200 K204 | D200-A202 PolarHBondContact O-N 3.43Å; A202-K204 PolarHBondContact O-N 3.14Å |
| 203 | G | 33.6 | Very low | 34 | Very low | 78 Ų | 78 | 156.6 Ų | 156.6 | 80% | 0.804 | 82% | 0.824 | S | S | * | * | | | trans | 58.5 | 37.9 | 161.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 204 | K | 38.5 | Very low | 34.1 | Very low | 190 Ų | 190 | 157 Ų | 157 | 83% | 0.826 | 81% | 0.812 | S | S | * | * | | | trans | -132.3 | 103.1 | 174.8 | -68.1 | -174.4 | -176.1 | 176.6 | 0 | 112.3 | A202 K206 | A202-K204 PolarHBondContact O-N 3.14Å; K204-K206 PolarHBondContact O-N 3.19Å |
| 205 | F | 33.8 | Very low | 34.2 | Very low | 193 Ų | 193 | 154.9 Ų | 154.9 | 85% | 0.846 | 81% | 0.813 | S | S | * | * | | | trans | -74.2 | 115.8 | 169.4 | -120.3 | -96.1 | 0 | 0 | 0 | 110.1 | | |
| 206 | K | 34.9 | Very low | 33.9 | Very low | 211 Ų | 211 | 155.2 Ų | 155.2 | 92% | 0.917 | 81% | 0.807 | S | S | * | * | | | trans | -111.4 | 72.8 | 167.1 | -81 | -172.3 | 176.9 | 176.4 | 0 | 109.7 | K204 | K204-K206 PolarHBondContact O-N 3.19Š|
| 207 | G | 36.1 | Very low | 33.7 | Very low | 64 Ų | 64 | 155.4 Ų | 155.4 | 66% | 0.66 | 81% | 0.808 | S | S | * | * | | | trans | -115 | 107 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 208 | G | 31 | Very low | 33.7 | Very low | 77 Ų | 77 | 161.1 Ų | 161.1 | 79% | 0.794 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 137.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | R210 | G208-R210 PolarHBondContact O-N 3.32Š|
| 209 | A | 31.8 | Very low | 33.6 | Very low | 104 Ų | 104 | 157.8 Ų | 157.8 | 86% | 0.86 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 117.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 210 | R | 32.4 | Very low | 33.8 | Very low | 228 Ų | 228 | 159.4 Ų | 159.4 | 86% | 0.86 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 126.7 | 167 | -78.8 | 179.7 | 158.6 | -173.7 | -4.2 | 109.5 | G208 | G208-R210 PolarHBondContact O-N 3.32Š|
| 211 | K | 34.2 | Very low | 33.8 | Very low | 202 Ų | 202 | 156.2 Ų | 156.2 | 88% | 0.878 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 123.7 | 167.3 | -67.6 | -175.5 | 178.9 | -174.2 | 0 | 108.5 | | |
| 212 | F | 30.1 | Very low | 33.7 | Very low | 201 Ų | 201 | 151.2 Ų | 151.2 | 88% | 0.882 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 131.7 | 168.1 | -68.3 | -90.5 | 0 | 0 | 0 | 109.2 | | |
| 213 | L | 34.1 | Very low | 33.1 | Very low | 159 Ų | 159 | 157.1 Ų | 157.1 | 83% | 0.832 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 136.4 | 165.4 | -85 | 127.1 | 0 | 0 | 0 | 108.4 | | |
| 214 | P | 30.5 | Very low | 33.2 | Very low | 91 Ų | 91 | 161.1 Ų | 161.1 | 59% | 0.591 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 135.9 | 173.6 | 23.9 | -30.5 | 0 | 0 | 0 | 110.7 | Y216 | P214-Y216 HydrophobicContact CG-CE2 4.19Š|
| 215 | I | 30.2 | Very low | 32.8 | Very low | 167 Ų | 167 | 160.2 Ų | 160.2 | 86% | 0.856 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -89.5 | 121 | 175.4 | -59.4 | 171.5 | 0 | 0 | 0 | 107.5 | | |
| 216 | Y | 28.3 | Very low | 32.8 | Very low | 200 Ų | 200 | 157 Ų | 157 | 78% | 0.784 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -94.2 | 124.8 | 173.6 | -61.6 | -86 | 0 | 0 | 0 | 109.5 | P214 | P214-Y216 HydrophobicContact CG-CE2 4.19Š|
| 217 | K | 30.6 | Very low | 32.7 | Very low | 188 Ų | 188 | 151.1 Ų | 151.1 | 82% | 0.817 | 79% | 0.788 | S | S | * | * | | | trans | -96.8 | 110.6 | 166 | -170.3 | 176.8 | -179.2 | -179 | 0 | 108 | V219 | K217-V219 HydrophobicContact CD-CG2 4.46Å; K217-V219 HydrophobicContact CG-CG2 4.24Å; K217-V219 PolarHBondContact O-N 2.97Å |
| 218 | K | 31 | Very low | 32.6 | Very low | 213 Ų | 213 | 154.5 Ų | 154.5 | 93% | 0.926 | 80% | 0.795 | S | S | * | * | | | trans | -71.4 | 115.8 | 170.9 | -128 | 176.8 | -177.2 | 179.3 | 0 | 107.9 | | |
| 219 | V | 35.4 | Very low | 32.5 | Very low | 107 Ų | 107 | 159.8 Ų | 159.8 | 65% | 0.648 | 80% | 0.797 | S | S | * | * | | | trans | -119 | 132.1 | 163.8 | -175.4 | 0 | 0 | 0 | 0 | 105.9 | K217 G221 | K217-V219 HydrophobicContact CD-CG2 4.46Å; K217-V219 HydrophobicContact CG-CG2 4.24Å; K217-V219 PolarHBondContact O-N 2.97Å; V219-G221 PolarHBondContact O-N 3.33Å |
| 220 | H | 33.6 | Very low | 32.2 | Very low | 199 Ų | 199 | 158.7 Ų | 158.7 | 92% | 0.921 | 80% | 0.795 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -43.5 | 132.9 | -176.9 | -90.4 | -93.2 | 0 | 0 | 0 | 113.4 | | |
| 221 | G | 37.1 | Very low | 31.9 | Very low | 78 Ų | 78 | 151.1 Ų | 151.1 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 111.6 | -36.9 | 149.6 | 0 | 0 | 0 | 0 | 0 | 118.3 | V219 | V219-G221 PolarHBondContact O-N 3.33Š|
| 222 | E | 35.4 | Very low | 31.7 | Very low | 144 Ų | 144 | 148.1 Ų | 148.1 | 67% | 0.673 | 79% | 0.791 | S | S | * | * | | | trans | -149 | 126.1 | -175.2 | -68 | -177.8 | 167.3 | 0 | 0 | 111.1 | K224 | E222-K224 PolarHBondContact O-N 3.1Å; E222-K224 VanDerWaalsContact O-N 3.13Å; E222-K224 IonicContact OE2-NZ 2.94Å; E222-K224 PolarHBondContact OE2-NZ 3.24Å |
| 223 | E | 33.2 | Very low | 31.5 | Very low | 206 Ų | 206 | 142.2 Ų | 142.2 | 96% | 0.963 | 79% | 0.786 | S | S | * | * | | | trans | -67.1 | 106.5 | 169.9 | -67.7 | -174.9 | 159.5 | 0 | 0 | 109.2 | | |
| 224 | K | 35.1 | Very low | 31.3 | Very low | 161 Ų | 161 | 139.6 Ų | 139.6 | 70% | 0.7 | 79% | 0.788 | S | S | * | * | | | trans | -116.9 | 116.3 | 167 | -78.9 | 177.2 | 179.1 | 149.6 | 0 | 109.8 | E222 V226 | E222-K224 PolarHBondContact O-N 3.1Å; E222-K224 VanDerWaalsContact O-N 3.13Å; E222-K224 IonicContact OE2-NZ 2.94Å; E222-K224 PolarHBondContact OE2-NZ 3.24Å; K224-V226 PolarHBondContact O-N 3.03Å |
| 225 | E | 30.8 | Very low | 31.5 | Very low | 172 Ų | 172 | 143.2 Ų | 143.2 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | | | trans | -66.7 | 116.8 | 169.4 | -167 | -174.8 | -179.6 | 0 | 0 | 108.8 | V227 | E225-V227 HydrophobicContact CG-CG2 3.78Å; E225-V227 VanDerWaalsContact OE1-CG2 3.25Å; E225-V227 WeakPolarHBondContact OE1-CG2 3.45Å |
| 226 | V | 32.5 | Very low | 31.6 | Very low | 124 Ų | 124 | 142.8 Ų | 142.8 | 75% | 0.752 | 80% | 0.796 | S | S | * | * | | | trans | -104.8 | 92.6 | 168.7 | -176 | 0 | 0 | 0 | 0 | 107.6 | K224 V228 | K224-V226 PolarHBondContact O-N 3.03Å; V226-V228 PolarHBondContact O-N 2.93Å |
| 227 | V | 32.8 | Very low | 32.1 | Very low | 89 Ų | 89 | 141.1 Ų | 141.1 | 54% | 0.539 | 80% | 0.795 | S | S | . | * | | | trans | -79.2 | 107.2 | 168.6 | -176.4 | 0 | 0 | 0 | 0 | 108 | E225 K229 | E225-V227 HydrophobicContact CG-CG2 3.78Å; E225-V227 VanDerWaalsContact OE1-CG2 3.25Å; E225-V227 WeakPolarHBondContact OE1-CG2 3.45Å; V227-K229 VanDerWaalsContact C-N 3.28Å; V227-K229 HydrophobicContact CG1-CG 3.88Å; V227-K229 PolarHBondContact O-N 2.92Å |
| 228 | V | 34.9 | Very low | 32.4 | Very low | 135 Ų | 135 | 141.9 Ų | 141.9 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | | | trans | -72.9 | 90.4 | 163.9 | -177.3 | 0 | 0 | 0 | 0 | 107.3 | V226 G230 | V226-V228 PolarHBondContact O-N 2.93Å; V228-G230 PolarHBondContact O-N 3.2Å; V228-G230 VanDerWaalsContact O-N 3.1Å |
| 229 | K | 29 | Very low | 32.3 | Very low | 188 Ų | 188 | 141 Ų | 141 | 82% | 0.817 | 80% | 0.797 | S | S | * | * | | | trans | -70 | 98.8 | 169.7 | -81.7 | -170.9 | 176.6 | 177.5 | 0 | 108.9 | V227 | V227-K229 VanDerWaalsContact C-N 3.28Å; V227-K229 HydrophobicContact CG1-CG 3.88Å; V227-K229 PolarHBondContact O-N 2.92Å |
| 230 | G | 24.9 | Very low | 32.7 | Very low | 80 Ų | 80 | 141.8 Ų | 141.8 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | | | trans | -81.7 | 106 | 155.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | V228 | V228-G230 PolarHBondContact O-N 3.2Å; V228-G230 VanDerWaalsContact O-N 3.1Å |
| 231 | G | 26.1 | Very low | 32.8 | Very low | 69 Ų | 69 | 140.6 Ų | 140.6 | 71% | 0.711 | 80% | 0.8 | S | S | * | * | | | trans | 167.2 | 94.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 232 | C | 29.4 | Very low | 32.9 | Very low | 139 Ų | 139 | 144 Ų | 144 | 94% | 0.939 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 134.4 | 166.5 | -63 | 0 | 0 | 0 | 0 | 109.4 | | |
| 233 | G | 26.3 | Very low | 33.1 | Very low | 77 Ų | 77 | 144.4 Ų | 144.4 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 149.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 234 | A | 30.8 | Very low | 33.3 | Very low | 105 Ų | 105 | 142 Ų | 142 | 87% | 0.868 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -102 | 116.2 | 157.8 | 0 | 0 | 0 | 0 | 0 | 106.8 | | |
| 235 | H | 33.5 | Very low | 33.6 | Very low | 167 Ų | 167 | 143.6 Ų | 143.6 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 130.5 | 173 | -116.8 | -97.1 | 0 | 0 | 0 | 108.7 | H237 | H235-H237 AromaticContact ND1-CD2 3.8Å; H235-H237 AromaticContact ND1-NE2 3.48Å; H235-H237 PolarHBondContact ND1-NE2 3.41Å |
| 236 | D | 33.1 | Very low | 33.8 | Very low | 157 Ų | 157 | 138.5 Ų | 138.5 | 84% | 0.84 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 124.6 | 162.8 | -72.3 | -45.1 | 0 | 0 | 0 | 109.2 | | |
| 237 | H | 39.4 | Very low | 34.2 | Very low | 166 Ų | 166 | 140.1 Ų | 140.1 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | | | trans | -136.7 | 119.1 | 161.7 | -87.9 | -73.2 | 0 | 0 | 0 | 110.7 | H235 | H235-H237 AromaticContact ND1-CD2 3.8Å; H235-H237 AromaticContact ND1-NE2 3.48Å; H235-H237 PolarHBondContact ND1-NE2 3.41Å |
| 238 | K | 36.2 | Very low | 34.4 | Very low | 204 Ų | 204 | 144.5 Ų | 144.5 | 89% | 0.887 | 79% | 0.792 | S | S | * | * | | | trans | -67.7 | 138.9 | 166.6 | -79.8 | 170.9 | 168.2 | 175.7 | 0 | 110.5 | | |
| 239 | E | 29.7 | Very low | 34.6 | Very low | 193 Ų | 193 | 145.9 Ų | 145.9 | 90% | 0.902 | 79% | 0.789 | S | S | * | * | | | trans | -62.1 | 153.5 | 163.4 | -79 | 178.1 | 141.6 | 0 | 0 | 112.1 | | |
| 240 | P | 43.1 | Very low | 35.1 | Very low | 125 Ų | 125 | 146.3 Ų | 146.3 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | | | trans | -131.8 | 162 | 130.6 | 35.8 | -23.6 | 0 | 0 | 0 | 113.6 | | |
| 241 | E | 36.4 | Very low | 35.8 | Very low | 174 Ų | 174 | 154.3 Ų | 154.3 | 81% | 0.813 | 80% | 0.796 | S | S | * | * | | | trans | -69.2 | 171.6 | -170.4 | -58.4 | 168.2 | 146.1 | 0 | 0 | 115.5 | | |
| 242 | H | 38 | Very low | 36.2 | Very low | 149 Ų | 149 | 154.5 Ų | 154.5 | 69% | 0.69 | 80% | 0.798 | S | S | * | * | | | trans | 110.2 | 127.5 | 139.8 | -98.8 | -85.3 | 0 | 0 | 0 | 120.9 | | |
| 243 | H | 39.3 | Very low | 36.5 | Very low | 153 Ų | 153 | 152.5 Ų | 152.5 | 71% | 0.708 | 79% | 0.791 | S | S | * | * | | | trans | 96.8 | 88 | 153.1 | -68.4 | -65.4 | 0 | 0 | 0 | 122.1 | | |
| 244 | E | 37.4 | Very low | 36.9 | Very low | 154 Ų | 154 | 155.9 Ų | 155.9 | 72% | 0.72 | 80% | 0.796 | S | S | * | * | | | | 46.9 | 139 | 108.7 | -108.8 | -172.2 | -168.1 | 0 | 0 | 123.7 | | |
| 245 | K | 41.4 | Very low | 36.9 | Very low | 195 Ų | 195 | 154.7 Ų | 154.7 | 85% | 0.848 | 79% | 0.794 | S | S | * | * | | | trans | 82.2 | 129.3 | 162.6 | -59.1 | 170.4 | -175 | 177 | 0 | 115.8 | | |
| 246 | G | 34.6 | Very low | 36.8 | Very low | 65 Ų | 65 | 150.3 Ų | 150.3 | 67% | 0.67 | 79% | 0.794 | S | S | * | * | | | cis | 162.9 | 151.4 | 3 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 247 | E | 40.9 | Very low | 36.9 | Very low | 158 Ų | 158 | 151.4 Ų | 151.4 | 74% | 0.738 | 79% | 0.794 | S | S | * | * | | | trans | 64.3 | 143.5 | 161.9 | -67.6 | -160.1 | 129 | 0 | 0 | 116.8 | | |
| 248 | R | 37 | Very low | 37 | Very low | 181 Ų | 181 | 149.3 Ų | 149.3 | 68% | 0.683 | 79% | 0.792 | S | S | * | * | | | cis | -171.5 | 151.2 | 9.2 | -116 | 176.1 | -172.6 | -164.4 | 8.2 | 107.3 | | |
| 249 | H | 41 | Very low | 37.2 | Very low | 165 Ų | 165 | 146 Ų | 146 | 76% | 0.764 | 79% | 0.785 | S | S | * | * | | | trans | 98.9 | 122.4 | 142.2 | -70.1 | 18.8 | 0 | 0 | 0 | 121.3 | | |
| 250 | K | 39.2 | Very low | 37.7 | Very low | 197 Ų | 197 | 145.2 Ų | 145.2 | 86% | 0.857 | 78% | 0.78 | S | S | * | * | | | trans | -80.9 | 150.1 | 178.1 | -60 | 169.4 | 173.3 | 176.8 | 0 | 111 | | |
| 251 | R | 38.6 | Very low | 37.2 | Very low | 248 Ų | 248 | 146.7 Ų | 146.7 | 94% | 0.936 | 78% | 0.781 | S | S | * | * | | | | 169.6 | 116.5 | 130 | -92.5 | 166.1 | -167.1 | -156.7 | 4.5 | 106.2 | | |
| 252 | G | 35 | Very low | 37.2 | Very low | 73 Ų | 73 | 145.5 Ų | 145.5 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | | | | 92.4 | 100.7 | 94.5 | 0 | 0 | 0 | 0 | 0 | 107.3 | | |
| 253 | A | 34.8 | Very low | 36.9 | Very low | 96 Ų | 96 | 144.6 Ų | 144.6 | 79% | 0.793 | 79% | 0.79 | S | S | * | * | | | | 110.2 | 114.2 | 78.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 254 | V | 34.5 | Very low | 36.6 | Very low | 149 Ų | 149 | 146.5 Ų | 146.5 | 90% | 0.903 | 80% | 0.796 | S | S | * | * | | | trans | 64.1 | 115.1 | 142.6 | -168.5 | 0 | 0 | 0 | 0 | 119.4 | | |
| 255 | G | 31 | Very low | 36.3 | Very low | 79 Ų | 79 | 146.4 Ų | 146.4 | 81% | 0.814 | 81% | 0.805 | S | S | * | * | | | | 95.5 | 117.7 | 129.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 256 | G | 32.8 | Very low | 35.8 | Very low | 76 Ų | 76 | 146.9 Ų | 146.9 | 78% | 0.784 | 81% | 0.808 | S | S | * | * | | | trans | 153.1 | 88.1 | 165.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | V258 | G256-V258 PolarHBondContact O-N 2.99Š|
| 257 | H | 34.9 | Very low | 35.4 | Very low | 180 Ų | 180 | 147.5 Ų | 147.5 | 83% | 0.833 | 81% | 0.814 | S | S | * | * | | | trans | -73.3 | 112.8 | 169.8 | -164.7 | -62.7 | 0 | 0 | 0 | 108.4 | | |
| 258 | V | 42 | Very low | 34.8 | Very low | 121 Ų | 121 | 147.1 Ų | 147.1 | 73% | 0.733 | 82% | 0.822 | S | S | * | * | | | trans | -142.5 | 133 | 167.2 | -179.5 | 0 | 0 | 0 | 0 | 108.1 | G256 | G256-V258 PolarHBondContact O-N 2.99Š|
| 259 | D | 39.4 | Very low | 34.3 | Very low | 135 Ų | 135 | 141.4 Ų | 141.4 | 72% | 0.722 | 82% | 0.82 | S | S | * | * | | | trans | -58.8 | 131.1 | -175.9 | -57.7 | -60.1 | 0 | 0 | 0 | 112.9 | | |
| 260 | H | 39.5 | Very low | 33.8 | Very low | 176 Ų | 176 | 140.3 Ų | 140.3 | 82% | 0.815 | 83% | 0.827 | S | S | * | * | | | trans | -128.6 | 115.4 | 160.3 | -91.6 | -68.6 | 0 | 0 | 0 | 109.9 | D262 | H260-D262 PolarHBondContact O-N 3.44Š|
| 261 | N | 34.6 | Very low | 33.2 | Very low | 156 Ų | 156 | 134 Ų | 134 | 83% | 0.834 | 82% | 0.818 | S | S | * | * | | | trans | -52.6 | 119.5 | 160.9 | -75.7 | -56.7 | 0 | 0 | 0 | 109.3 | | |
| 262 | D | 36.4 | Very low | 32.8 | Very low | 150 Ų | 150 | 133.7 Ų | 133.7 | 80% | 0.802 | 82% | 0.818 | S | S | * | * | | | trans | -152.1 | 135.9 | 154.5 | -88.7 | -39.3 | 0 | 0 | 0 | 110.6 | H260 K264 | H260-D262 PolarHBondContact O-N 3.44Å; D262-K264 PolarHBondContact O-N 3.38Å |
| 263 | C | 30.7 | Very low | 32.8 | Very low | 129 Ų | 129 | 139.7 Ų | 139.7 | 87% | 0.872 | 83% | 0.827 | S | S | * | * | | | trans | -36.3 | 120.4 | -175.6 | -62.1 | 0 | 0 | 0 | 0 | 115.2 | | |
| 264 | K | 33.2 | Very low | 33 | Very low | 193 Ų | 193 | 143.4 Ų | 143.4 | 84% | 0.839 | 83% | 0.825 | S | S | * | * | | | trans | -133.4 | 120.1 | 158.2 | -76.2 | -173.6 | 179.8 | 171.8 | 0 | 111.4 | D262 K266 | D262-K264 PolarHBondContact O-N 3.38Å; K264-K266 PolarHBondContact O-N 3.31Å |
| 265 | V | 31.9 | Very low | 33 | Very low | 152 Ų | 152 | 142 Ų | 142 | 92% | 0.921 | 82% | 0.822 | S | S | * | * | | | trans | -42.6 | 117.8 | 168 | 177 | 0 | 0 | 0 | 0 | 109.9 | | |
| 266 | K | 28.9 | Very low | 33.3 | Very low | 206 Ų | 206 | 146.1 Ų | 146.1 | 90% | 0.896 | 82% | 0.819 | S | S | * | * | | | trans | -86.4 | 119 | 175 | -76.9 | -172.7 | 176 | 177.1 | 0 | 110.5 | K264 | K264-K266 PolarHBondContact O-N 3.31Š|
| 267 | G | 26.7 | Very low | 33.4 | Very low | 77 Ų | 77 | 150.6 Ų | 150.6 | 79% | 0.794 | 83% | 0.825 | S | S | * | * | | | trans | 88 | 79.4 | 131.7 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 268 | V | 28.9 | Very low | 33.6 | Very low | 150 Ų | 150 | 149 Ų | 149 | 91% | 0.909 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -95 | 118.6 | 146.6 | -175.8 | 0 | 0 | 0 | 0 | 106.6 | | |
| 269 | G | 26.9 | Very low | 33.5 | Very low | 62 Ų | 62 | 155.1 Ų | 155.1 | 64% | 0.639 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 157.7 | -177 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 270 | P | 29.5 | Very low | 33.8 | Very low | 142 Ų | 142 | 152.4 Ų | 152.4 | 92% | 0.922 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 135.6 | -167.2 | 33.5 | -32.6 | 0 | 0 | 0 | 111.9 | | |
| 271 | G | 27.9 | Very low | 33.8 | Very low | 64 Ų | 64 | 147.8 Ų | 147.8 | 66% | 0.66 | 83% | 0.83 | S | S | * | * | | | trans | -158 | 65.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 272 | Y | 28.6 | Very low | 34.3 | Very low | 241 Ų | 241 | 149.1 Ų | 149.1 | 95% | 0.945 | 83% | 0.828 | S | S | * | * | | | trans | -131.4 | 108.7 | 165.7 | -68 | -81.2 | 0 | 0 | 0 | 108.1 | | |
| 273 | E | 36.1 | Very low | 34.3 | Very low | 199 Ų | 199 | 151.9 Ų | 151.9 | 93% | 0.93 | 83% | 0.834 | S | S | * | * | | | trans | -108.6 | 131.1 | 167.3 | -154 | 169.8 | -159.2 | 0 | 0 | 109.4 | | |
| 274 | K | 39.3 | Very low | 34.6 | Very low | 175 Ų | 175 | 155.8 Ų | 155.8 | 76% | 0.761 | 84% | 0.836 | S | S | * | * | | | trans | -64.7 | 130.4 | -164.8 | -64.7 | 164.1 | 176.1 | 175.9 | 0 | 112.1 | | |
| 275 | S | 34.1 | Very low | 34.8 | Very low | 119 Ų | 119 | 149 Ų | 149 | 83% | 0.832 | 82% | 0.821 | S | S | * | * | | | trans | -84.7 | 112 | 156.6 | 55.6 | 0 | 0 | 0 | 0 | 109.2 | | |
| 276 | H | 37.9 | Very low | 34.8 | Very low | 165 Ų | 165 | 145.6 Ų | 145.6 | 76% | 0.764 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 136.6 | 168.4 | -78.7 | -107.5 | 0 | 0 | 0 | 110.4 | | |
| 277 | L | 34.4 | Very low | 34.9 | Very low | 171 Ų | 171 | 140.4 Ų | 140.4 | 90% | 0.895 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 122.7 | 174.7 | -94.6 | 150.6 | 0 | 0 | 0 | 110.1 | | |
| 278 | D | 39.4 | Very low | 35.2 | Very low | 146 Ų | 146 | 147.1 Ų | 147.1 | 78% | 0.781 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -88 | 133.7 | 167.2 | -80.4 | -21.1 | 0 | 0 | 0 | 111 | A280 | D278-A280 PolarHBondContact O-N 3.05Š|
| 279 | Y | 38.2 | Very low | 35.6 | Very low | 249 Ų | 249 | 149.9 Ų | 149.9 | 98% | 0.976 | 81% | 0.813 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.2 | 23.6 | -175.6 | -122.9 | -93.6 | 0 | 0 | 0 | 115.3 | | |
| 280 | A | 47.7 | Very low | 35.7 | Very low | 78 Ų | 78 | 155.3 Ų | 155.3 | 65% | 0.645 | 82% | 0.82 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.4 | 8.9 | -170.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | D278 K282 | D278-A280 PolarHBondContact O-N 3.05Å; A280-K282 VanDerWaalsContact C-N 3.33Å; A280-K282 PolarHBondContact O-N 3.23Å; A280-K282 VanDerWaalsContact O-N 3.14Å |
| 281 | G | 39.5 | Very low | 35.9 | Very low | 79 Ų | 79 | 156 Ų | 156 | 81% | 0.814 | 82% | 0.815 | S | S | * | * | | | trans | 59.3 | 31.8 | 165.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 282 | K | 44.3 | Very low | 35.9 | Very low | 184 Ų | 184 | 157.5 Ų | 157.5 | 80% | 0.8 | 81% | 0.813 | S | S | * | * | | | trans | -127.5 | 105.3 | 175 | -67.7 | -170.4 | -177.2 | -179 | 0 | 111.7 | A280 K284 | A280-K282 VanDerWaalsContact C-N 3.33Å; A280-K282 PolarHBondContact O-N 3.23Å; A280-K282 VanDerWaalsContact O-N 3.14Å; K282-K284 PolarHBondContact O-N 3.25Å |
| 283 | F | 35.3 | Very low | 36 | Very low | 209 Ų | 209 | 153.9 Ų | 153.9 | 92% | 0.917 | 81% | 0.808 | S | S | * | * | | | trans | -68.3 | 108 | 170.6 | -127.2 | -95.8 | 0 | 0 | 0 | 109.6 | | |
| 284 | K | 38 | Very low | 35.6 | Very low | 210 Ų | 210 | 154.1 Ų | 154.1 | 91% | 0.913 | 80% | 0.802 | S | S | * | * | | | trans | -104.4 | 77.9 | 164.9 | -78.8 | -169.8 | 177 | 177.6 | 0 | 109.1 | K282 | K282-K284 PolarHBondContact O-N 3.25Š|
| 285 | G | 36.9 | Very low | 35.1 | Very low | 52 Ų | 52 | 154.8 Ų | 154.8 | 54% | 0.536 | 81% | 0.808 | S | S | . | * | | | trans | -144.7 | 109.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | A287 | G285-A287 PolarHBondContact O-N 3.21Š|
| 286 | G | 31.5 | Very low | 35 | Very low | 80 Ų | 80 | 158.4 Ų | 158.4 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | | | trans | -62.3 | 128.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | R288 | G286-R288 PolarHBondContact O-N 2.93Š|
| 287 | A | 31.9 | Very low | 34.9 | Very low | 96 Ų | 96 | 159.4 Ų | 159.4 | 79% | 0.793 | 81% | 0.813 | S | S | * | * | | | trans | -58.1 | 122.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | G285 K289 | G285-A287 PolarHBondContact O-N 3.21Å; A287-K289 PolarHBondContact O-N 3.04Å |
| 288 | R | 33.6 | Very low | 34.7 | Very low | 219 Ų | 219 | 158 Ų | 158 | 83% | 0.826 | 81% | 0.811 | S | S | * | * | | | trans | -68.8 | 109.6 | 163.4 | -70.2 | 174.2 | 90.1 | 179.9 | 5.1 | 107.4 | G286 F290 | G286-R288 PolarHBondContact O-N 2.93Å; R288-F290 PolarHBondContact O-N 3.26Å |
| 289 | K | 36.6 | Very low | 34.6 | Very low | 207 Ų | 207 | 155.8 Ų | 155.8 | 90% | 0.9 | 81% | 0.808 | S | S | * | * | | | trans | -69.1 | 109.2 | 166.6 | -69.9 | -176.4 | 178.1 | -176.5 | 0 | 108.3 | A287 | A287-K289 PolarHBondContact O-N 3.04Š|
| 290 | F | 29.9 | Very low | 34.5 | Very low | 177 Ų | 177 | 152.9 Ų | 152.9 | 78% | 0.776 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 131.6 | 159.1 | -75 | -91.3 | 0 | 0 | 0 | 107.9 | R288 | R288-F290 PolarHBondContact O-N 3.26Š|
| 291 | L | 32.5 | Very low | 33.7 | Very low | 157 Ų | 157 | 158.4 Ų | 158.4 | 82% | 0.822 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 132.3 | 164.1 | -82.3 | 154.9 | 0 | 0 | 0 | 107.3 | I293 | L291-I293 PolarHBondContact O-N 3.24Å; L291-I293 VanDerWaalsContact O-N 3.15Å |
| 292 | P | 29 | Very low | 33.4 | Very low | 95 Ų | 95 | 165.9 Ų | 165.9 | 62% | 0.617 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 119.7 | 170.2 | 8.5 | -6.1 | 0 | 0 | 0 | 108.6 | Y294 | P292-Y294 PolarHBondContact O-N 3.44Š|
| 293 | I | 29.7 | Very low | 32.7 | Very low | 165 Ų | 165 | 165.8 Ų | 165.8 | 85% | 0.846 | 82% | 0.821 | S | S | * | * | | | trans | -75 | 112.4 | 166 | -54.9 | 175.1 | 0 | 0 | 0 | 105.1 | L291 Q295 | L291-I293 PolarHBondContact O-N 3.24Å; L291-I293 VanDerWaalsContact O-N 3.15Å; I293-Q295 PolarHBondContact O-N 3.48Å |
| 294 | Y | 28.5 | Very low | 32.4 | Very low | 204 Ų | 204 | 162.4 Ų | 162.4 | 80% | 0.8 | 82% | 0.818 | S | S | * | * | | | trans | -73.2 | 117.9 | 170 | -74.6 | -87.3 | 0 | 0 | 0 | 108.2 | P292 K296 | P292-Y294 PolarHBondContact O-N 3.44Å; Y294-K296 PolarHBondContact O-N 3.23Å |
| 295 | Q | 28 | Very low | 32.1 | Very low | 188 Ų | 188 | 158 Ų | 158 | 88% | 0.879 | 81% | 0.808 | S | S | * | * | | | trans | -64.1 | 119 | 159.3 | -107.2 | 172.7 | -16.3 | 0 | 0 | 107.4 | I293 E297 | I293-Q295 PolarHBondContact O-N 3.48Å; Q295-E297 PolarHBondContact O-N 3Å |
| 296 | K | 33 | Very low | 32 | Very low | 195 Ų | 195 | 162.2 Ų | 162.2 | 85% | 0.848 | 82% | 0.823 | S | S | * | * | | | trans | -81.7 | 102.9 | 169.8 | -151.5 | -179.9 | -173.5 | -173.6 | 0 | 106.2 | Y294 V298 | Y294-K296 PolarHBondContact O-N 3.23Å; K296-V298 PolarHBondContact O-N 2.92Å |
| 297 | E | 35.9 | Very low | 32.1 | Very low | 186 Ų | 186 | 167.8 Ų | 167.8 | 87% | 0.869 | 83% | 0.825 | S | S | * | * | | | trans | -65.1 | 122.2 | 164 | -78 | 179.9 | 161 | 0 | 0 | 108 | Q295 | Q295-E297 PolarHBondContact O-N 3Š|
| 298 | V | 28.9 | Very low | 31.6 | Very low | 141 Ų | 141 | 167.1 Ų | 167.1 | 86% | 0.855 | 83% | 0.828 | S | S | * | * | | | trans | -90.5 | 108.7 | 171.3 | -175.6 | 0 | 0 | 0 | 0 | 105.8 | K296 | K296-V298 PolarHBondContact O-N 2.92Š|
| 299 | S | 37.6 | Very low | 31.2 | Very low | 101 Ų | 101 | 160.6 Ų | 160.6 | 71% | 0.706 | 83% | 0.828 | S | S | * | * | | | trans | -100.8 | 120.9 | 173.3 | 60.9 | 0 | 0 | 0 | 0 | 109.7 | | |
| 300 | E | 37.1 | Very low | 30.7 | Very low | 187 Ų | 187 | 157.5 Ų | 157.5 | 87% | 0.874 | 83% | 0.831 | S | S | * | * | | | trans | 58.6 | 107.3 | 147.8 | -66.1 | 178.5 | 168.8 | 0 | 0 | 118.6 | | |
| 301 | E | 30 | Very low | 30.7 | Very low | 194 Ų | 194 | 152.5 Ų | 152.5 | 91% | 0.907 | 83% | 0.829 | S | S | * | * | | | trans | -51.9 | 134.7 | 159.8 | -61.3 | 170.2 | 155.5 | 0 | 0 | 111.3 | | |
| 302 | R | 33.3 | Very low | 30.6 | Very low | 236 Ų | 236 | 149.7 Ų | 149.7 | 89% | 0.891 | 83% | 0.829 | S | S | * | * | | | trans | -118.7 | 113.2 | 154.3 | -83.6 | -171.5 | 170.5 | -167.6 | -2.8 | 108.2 | V304 | R302-V304 PolarHBondContact O-N 3.16Š|
| 303 | E | 30.6 | Very low | 30.8 | Very low | 182 Ų | 182 | 156.7 Ų | 156.7 | 85% | 0.85 | 84% | 0.843 | S | S | * | * | | | trans | -54.9 | 128.1 | 161.4 | -79.6 | -177.9 | 131.2 | 0 | 0 | 109.6 | | |
| 304 | V | 29.1 | Very low | 31.1 | Very low | 138 Ų | 138 | 155.9 Ų | 155.9 | 84% | 0.836 | 84% | 0.84 | S | S | * | * | | | trans | -108.4 | 103.5 | 160.8 | -178.4 | 0 | 0 | 0 | 0 | 106.2 | R302 | R302-V304 PolarHBondContact O-N 3.16Š|
| 305 | V | 30.2 | Very low | 31.7 | Very low | 118 Ų | 118 | 155 Ų | 155 | 72% | 0.715 | 84% | 0.843 | S | S | * | * | | | trans | -127.6 | 100.1 | 165.5 | 179.6 | 0 | 0 | 0 | 0 | 106.7 | | |
| 306 | V | 34.3 | Very low | 32.2 | Very low | 140 Ų | 140 | 155.6 Ų | 155.6 | 85% | 0.848 | 84% | 0.843 | S | S | * | * | | | trans | -135.8 | 122.2 | 160.8 | -175.5 | 0 | 0 | 0 | 0 | 109.6 | | |
| 307 | K | 34.2 | Very low | 32.2 | Very low | 197 Ų | 197 | 155.2 Ų | 155.2 | 86% | 0.857 | 84% | 0.844 | S | S | * | * | | | trans | -58.4 | 147 | 179.5 | -73.4 | 173.3 | 170.5 | 174.4 | 0 | 112.3 | | |
| 308 | G | 22.6 | Very low | 32.6 | Very low | 83 Ų | 83 | 151.9 Ų | 151.9 | 86% | 0.856 | 84% | 0.839 | S | S | * | * | | | trans | -66.9 | 160.2 | 168.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 309 | G | 25.2 | Very low | 32.9 | Very low | 81 Ų | 81 | 153.3 Ų | 153.3 | 84% | 0.835 | 84% | 0.836 | S | S | * | * | | | trans | 161.6 | 106.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 310 | C | 25.3 | Very low | 32.7 | Very low | 143 Ų | 143 | 156 Ų | 156 | 97% | 0.966 | 84% | 0.837 | S | S | * | * | | | trans | -69.7 | 146.3 | 174.6 | -64.1 | 0 | 0 | 0 | 0 | 112 | | |
| 311 | G | 30.2 | Very low | 32.8 | Very low | 72 Ų | 72 | 156.2 Ų | 156.2 | 74% | 0.742 | 84% | 0.837 | S | S | * | * | | | trans | 164.3 | 88.7 | 165.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 312 | A | 29.4 | Very low | 32.9 | Very low | 98 Ų | 98 | 155.2 Ų | 155.2 | 81% | 0.81 | 83% | 0.833 | S | S | * | * | | | trans | 39 | 134 | 136.5 | 0 | 0 | 0 | 0 | 0 | 122.9 | | |
| 313 | R | 33.8 | Very low | 33.1 | Very low | 241 Ų | 241 | 154 Ų | 154 | 91% | 0.909 | 83% | 0.834 | S | S | * | * | | | trans | 100.3 | 124.8 | 146.3 | -74.8 | -178.4 | 176.5 | 178.5 | -0.5 | 119.5 | | |
| 314 | D | 36.2 | Very low | 33.1 | Very low | 149 Ų | 149 | 154.2 Ų | 154.2 | 80% | 0.797 | 84% | 0.835 | S | S | * | * | | | trans | -59.9 | 139.7 | 175.6 | -51.5 | -70.5 | 0 | 0 | 0 | 113.7 | | |
| 315 | H | 41.1 | Very low | 33.4 | Very low | 185 Ų | 185 | 155.8 Ų | 155.8 | 86% | 0.856 | 83% | 0.833 | S | S | * | * | | | trans | -152.5 | 119.2 | 147 | -84.9 | -62 | 0 | 0 | 0 | 111.5 | | |
| 316 | K | 37.9 | Very low | 33.5 | Very low | 201 Ų | 201 | 160.7 Ų | 160.7 | 87% | 0.874 | 84% | 0.839 | S | S | * | * | | | trans | 10.8 | 131.1 | 148.6 | -83.6 | 172 | 167.7 | 177.2 | 0 | 120.7 | | |
| 317 | E | 34 | Very low | 33.4 | Very low | 187 Ų | 187 | 163.6 Ų | 163.6 | 87% | 0.874 | 84% | 0.843 | S | S | * | * | | | trans | -39 | 151.8 | 152.2 | -93.8 | 178.5 | 155.6 | 0 | 0 | 115 | | |
| 318 | P | 43.8 | Very low | 33.5 | Very low | 116 Ų | 116 | 163.1 Ų | 163.1 | 75% | 0.753 | 84% | 0.841 | S | S | * | * | | | | -147.3 | 152.9 | 87.6 | 36.2 | -16.7 | 0 | 0 | 0 | 117.7 | | |
| 319 | E | 35.4 | Very low | 33.9 | Very low | 171 Ų | 171 | 170.8 Ų | 170.8 | 80% | 0.799 | 84% | 0.844 | S | S | * | * | | | trans | 25.4 | 145.7 | 140.7 | -61.8 | -173.3 | 166.4 | 0 | 0 | 124.5 | | |
| 320 | H | 33.7 | Very low | 34.1 | Very low | 156 Ų | 156 | 170.7 Ų | 170.7 | 72% | 0.722 | 84% | 0.843 | S | S | * | * | | | trans | 71.5 | 106.7 | 153.1 | -95.2 | -83.3 | 0 | 0 | 0 | 118.7 | | |
| 321 | H | 37.9 | Very low | 34.2 | Very low | 192 Ų | 192 | 169.5 Ų | 169.5 | 89% | 0.889 | 83% | 0.831 | S | S | * | * | | | | -165.6 | 117.3 | 124 | -101.1 | -64.3 | 0 | 0 | 0 | 110.9 | | |
| 322 | E | 32.5 | Very low | 34.1 | Very low | 174 Ų | 174 | 172.4 Ų | 172.4 | 81% | 0.813 | 84% | 0.835 | S | S | * | * | | | trans | -56.9 | 135.4 | 162.7 | -63.9 | 175.2 | 145.2 | 0 | 0 | 110 | | |
| 323 | K | 37.5 | Very low | 34.2 | Very low | 209 Ų | 209 | 173 Ų | 173 | 91% | 0.909 | 83% | 0.828 | S | S | * | * | | | trans | -154.9 | 118.1 | 151.2 | -106.8 | 168.4 | -167.8 | -178.6 | 0 | 109.6 | | |
| 324 | E | 31.5 | Very low | 34.1 | Very low | 188 Ų | 188 | 166.7 Ų | 166.7 | 88% | 0.879 | 82% | 0.816 | S | S | * | * | | | trans | -47 | 139 | 168.5 | -60.5 | 170.5 | 117.5 | 0 | 0 | 111.8 | | |
| 325 | E | 34.9 | Very low | 34 | Very low | 171 Ų | 171 | 164.5 Ų | 164.5 | 80% | 0.799 | 81% | 0.812 | S | S | * | * | | | trans | -163.2 | 106.8 | 139.5 | -112.9 | 177.3 | 174.1 | 0 | 0 | 113.6 | | |
| 326 | R | 31.2 | Very low | 33.6 | Very low | 220 Ų | 220 | 163.3 Ų | 163.3 | 83% | 0.83 | 81% | 0.807 | S | S | * | * | | | trans | 57.5 | 85.6 | 135.4 | -69.8 | 177.4 | 170.3 | 179 | -2 | 118.9 | K328 | R326-K328 PolarHBondContact O-N 3.35Š|
| 327 | H | 32.1 | Very low | 33.4 | Very low | 202 Ų | 202 | 161.2 Ų | 161.2 | 94% | 0.935 | 81% | 0.805 | S | S | * | * | | | trans | -69.8 | 118.6 | 150.4 | -78.8 | -72.7 | 0 | 0 | 0 | 111.6 | | |
| 328 | K | 37.6 | Very low | 33.4 | Very low | 187 Ų | 187 | 158.8 Ų | 158.8 | 81% | 0.813 | 80% | 0.798 | S | S | * | * | | | trans | -97.9 | 125.7 | 161.2 | -83.7 | 178.5 | 178.7 | 172.4 | 0 | 109.3 | R326 | R326-K328 PolarHBondContact O-N 3.35Š|
| 329 | R | 31.6 | Very low | 32.9 | Very low | 243 Ų | 243 | 162 Ų | 162 | 92% | 0.917 | 80% | 0.802 | S | S | * | * | S | Bend | trans | 88.6 | 91.9 | 158.5 | -59.1 | 177.2 | -179.5 | -174.7 | 1 | 117.8 | | |
| 330 | G | 27.5 | Very low | 32.7 | Very low | 80 Ų | 80 | 161.7 Ų | 161.7 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | | | | 90.7 | 57.7 | 117 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 331 | V | 28.2 | Very low | 32.5 | Very low | 117 Ų | 117 | 161.4 Ų | 161.4 | 71% | 0.709 | 81% | 0.805 | S | S | * | * | | | trans | -129.2 | 113.7 | 159.7 | -179.9 | 0 | 0 | 0 | 0 | 107.8 | V333 | V331-V333 HydrophobicContact CG1-CG2 4.1Š|
| 332 | V | 29.1 | Very low | 32.1 | Very low | 134 Ų | 134 | 158.2 Ų | 158.2 | 81% | 0.812 | 80% | 0.802 | S | S | * | * | | | trans | -87.3 | 114 | 170.5 | 176.6 | 0 | 0 | 0 | 0 | 107.2 | V334 | V332-V334 HydrophobicContact CG1-CG2 3.93Š|
| 333 | V | 29.9 | Very low | 31.9 | Very low | 110 Ų | 110 | 159.2 Ų | 159.2 | 67% | 0.667 | 80% | 0.804 | S | S | * | * | | | trans | -98 | 120 | 170.1 | -179.9 | 0 | 0 | 0 | 0 | 106.7 | V331 | V331-V333 HydrophobicContact CG1-CG2 4.1Š|
| 334 | V | 33.5 | Very low | 31.5 | Very low | 108 Ų | 108 | 155.8 Ų | 155.8 | 66% | 0.655 | 81% | 0.805 | S | S | * | * | | | trans | -108.2 | 116.9 | 171.1 | -176.6 | 0 | 0 | 0 | 0 | 108.2 | V332 | V332-V334 HydrophobicContact CG1-CG2 3.93Š|
| 335 | S | 33.6 | Very low | 31.2 | Very low | 103 Ų | 103 | 156.7 Ų | 156.7 | 72% | 0.72 | 81% | 0.806 | S | S | * | * | | | trans | -75.4 | 136.5 | 166.9 | -39.4 | 0 | 0 | 0 | 0 | 109.1 | | |
| 336 | H | 31.7 | Very low | 30.9 | Very low | 161 Ų | 161 | 152.3 Ų | 152.3 | 75% | 0.745 | 81% | 0.806 | S | S | * | * | | | trans | -82.2 | 127.3 | 172.8 | -90.4 | -74.7 | 0 | 0 | 0 | 109.2 | | |
| 337 | D | 34.7 | Very low | 30.8 | Very low | 156 Ų | 156 | 149 Ų | 149 | 83% | 0.834 | 81% | 0.81 | S | S | * | * | | | trans | -128.9 | 132.5 | 145.4 | -79.5 | -49.1 | 0 | 0 | 0 | 107.4 | | |
| 338 | D | 32.8 | Very low | 30.6 | Very low | 136 Ų | 136 | 141.9 Ų | 141.9 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | | | trans | -55.9 | 132.5 | -179.3 | -58.4 | -62.2 | 0 | 0 | 0 | 110.7 | | |
| 339 | H | 35 | Very low | 30.1 | Very low | 183 Ų | 183 | 139.8 Ų | 139.8 | 85% | 0.847 | 80% | 0.797 | S | S | * | * | | | trans | 169.9 | 145 | 133 | -91.2 | -70 | 0 | 0 | 0 | 110.9 | | |
| 340 | H | 31 | Very low | 29.9 | Very low | 165 Ų | 165 | 131.3 Ų | 131.3 | 76% | 0.764 | 79% | 0.785 | S | S | * | * | | | trans | -46.3 | 151.2 | -176.5 | -79.3 | -96.7 | 0 | 0 | 0 | 115.9 | | |
| 341 | D | 28.2 | Very low | 30.1 | Very low | 151 Ų | 151 | 136.7 Ų | 136.7 | 81% | 0.807 | 78% | 0.782 | S | S | * | * | | | trans | 70.3 | 87.6 | 159.4 | -51.6 | -30 | 0 | 0 | 0 | 117.4 | | |
| 342 | C | 30.4 | Very low | 30.5 | Very low | 124 Ų | 124 | 140.2 Ų | 140.2 | 84% | 0.838 | 79% | 0.791 | S | S | * | * | | | trans | -145.6 | 126.8 | 155.8 | -146.7 | 0 | 0 | 0 | 0 | 115.5 | C344 | C342-C344 PolarHBondContact O-N 3.31Š|
| 343 | K | 27.9 | Very low | 30.8 | Very low | 195 Ų | 195 | 142.5 Ų | 142.5 | 85% | 0.848 | 79% | 0.79 | S | S | * | * | | | trans | -63.3 | 108.8 | 172.6 | -66.6 | 162.7 | 177 | 168.1 | 0 | 109.9 | K345 | K343-K345 PolarHBondContact O-N 3.42Š|
| 344 | C | 29.2 | Very low | 31.2 | Very low | 137 Ų | 137 | 140.8 Ų | 140.8 | 93% | 0.926 | 78% | 0.783 | S | S | * | * | | | trans | -73.3 | 92.9 | 170.4 | -70.5 | 0 | 0 | 0 | 0 | 111.2 | C342 | C342-C344 PolarHBondContact O-N 3.31Š|
| 345 | K | 25.8 | Very low | 31.5 | Very low | 207 Ų | 207 | 142.8 Ų | 142.8 | 90% | 0.9 | 78% | 0.784 | S | S | * | * | | | trans | -90.4 | 126.4 | 151.9 | -78.4 | -178.4 | 175.8 | 179.4 | 0 | 107.8 | K343 | K343-K345 PolarHBondContact O-N 3.42Š|
| 346 | G | 28.3 | Very low | 31.8 | Very low | 79 Ų | 79 | 143.2 Ų | 143.2 | 81% | 0.814 | 78% | 0.778 | S | S | * | * | | | trans | 169 | 99.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 347 | V | 28.8 | Very low | 32.9 | Very low | 151 Ų | 151 | 138 Ų | 138 | 92% | 0.915 | 76% | 0.756 | S | S | * | * | | | trans | -101 | 128.2 | 177.3 | -172 | 0 | 0 | 0 | 0 | 108.4 | | |
| 348 | G | 27.3 | Very low | 33.5 | Very low | 53 Ų | 53 | 142.6 Ų | 142.6 | 55% | 0.546 | 76% | 0.763 | S | S | . | * | | | trans | -114.2 | 145.2 | 165.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 349 | P | 27.4 | Very low | 35 | Very low | 143 Ų | 143 | 139.6 Ų | 139.6 | 93% | 0.929 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -82.6 | 126 | -160.8 | 32.5 | -32.2 | 0 | 0 | 0 | 112.1 | | |
| 350 | G | 28.7 | Very low | 36.2 | Very low | 64 Ų | 64 | 133.3 Ų | 133.3 | 66% | 0.66 | 74% | 0.742 | S | S | * | * | | | trans | 164.5 | 6.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 351 | Y | 31.2 | Very low | 37.3 | Very low | 194 Ų | 194 | 131.6 Ų | 131.6 | 76% | 0.761 | 73% | 0.734 | S | S | * | * | | | trans | -132.7 | 122.5 | -172.3 | -63.3 | -83.4 | 0 | 0 | 0 | 112.9 | | |
| 352 | E | 35.6 | Very low | 38.1 | Very low | 191 Ų | 191 | 131.1 Ų | 131.1 | 89% | 0.893 | 73% | 0.725 | S | S | * | * | | | trans | -62.7 | 129.1 | 173.1 | -161.3 | 171.9 | -166.4 | 0 | 0 | 109.8 | S354 | E352-S354 PolarHBondContact O-N 3.42Š|
| 353 | K | 36.4 | Very low | 38.7 | Very low | 182 Ų | 182 | 133.6 Ų | 133.6 | 79% | 0.791 | 72% | 0.722 | S | S | * | * | | | trans | -57 | 115.9 | -173.9 | -69.4 | 172.9 | 177.5 | 176.5 | 0 | 111.4 | | |
| 354 | S | 38.4 | Very low | 39.6 | Very low | 74 Ų | 74 | 126.9 Ų | 126.9 | 52% | 0.517 | 71% | 0.707 | S | S | . | * | P | Polyproline II helix | trans | -78.9 | 118.2 | 160.3 | 52.9 | 0 | 0 | 0 | 0 | 109.2 | E352 F362 | E352-S354 PolarHBondContact O-N 3.42Å; S354-F362 VanDerWaalsContact OG-CE1 3.24Å; S354-F362 WeakPolarHBondContact OG-CE1 3.5Å |
| 355 | H | 39.2 | Very low | 40 | Very low | 149 Ų | 149 | 123.7 Ų | 123.7 | 69% | 0.69 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 129.6 | 172.2 | -73.2 | -95 | 0 | 0 | 0 | 110 | | |
| 356 | L | 40.4 | Very low | 40.4 | Very low | 112 Ų | 112 | 119 Ų | 119 | 59% | 0.586 | 70% | 0.698 | S | S | * | * | B | Isolated β-bridge | trans | -72.9 | 136.8 | 165.6 | -84.5 | 150.2 | 0 | 0 | 0 | 108.9 | F362 | L356-F362 HydrophobicContact CD2-CD2 4.18Å; L356-F362 HydrophobicContact CD2-CE2 4.36Å |
| 357 | D | 53.3 | Low | 40.8 | Very low | 51 Ų | 51 | 124.2 Ų | 124.2 | 27% | 0.273 | 69% | 0.693 | S | S | . | * | P | Polyproline II helix | trans | -80.1 | 165.7 | 166.2 | 61.8 | 20.2 | 0 | 0 | 0 | 111.2 | A359 G360 H361 | D357-A359 PolarHBondContact O-N 3.2Å; D357-A359 PolarHBondContact OD1-N 3.06Å; D357-G360 PolarHBondContact O-N 3.23Å; D357-G360 PolarHBondContact OD1-N 3.44Å; D357-H361 WeakPolarHBondContact OD1-CA 3.45Å; D357-H361 WeakPolarHBondContact OD1-CB 3.48Å; D357-H361 PolarHBondContact OD1-N 2.78Å |
| 358 | Y | 48.4 | Very low | 41.4 | Very low | 254 Ų | 254 | 126.8 Ų | 126.8 | 100% | 0.996 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.1 | -10.6 | -178.8 | -120.1 | -91 | 0 | 0 | 0 | 113.8 | | |
| 359 | A | 63.2 | Low | 41.9 | Very low | 73 Ų | 73 | 133.7 Ų | 133.7 | 60% | 0.603 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.1 | 3.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | D357 | D357-A359 PolarHBondContact O-N 3.2Å; D357-A359 PolarHBondContact OD1-N 3.06Å |
| 360 | G | 61.1 | Low | 42.5 | Very low | 51 Ų | 51 | 134.4 Ų | 134.4 | 53% | 0.526 | 70% | 0.702 | S | S | . | * | S | Bend | trans | 75.5 | 20.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | D357 | D357-G360 PolarHBondContact O-N 3.23Å; D357-G360 PolarHBondContact OD1-N 3.44Å |
| 361 | H | 54.4 | Low | 42.9 | Very low | 128 Ų | 128 | 134.9 Ų | 134.9 | 59% | 0.593 | 69% | 0.693 | S | S | * | * | | | trans | -98.6 | 130.6 | 178.1 | -66.9 | -28.4 | 0 | 0 | 0 | 112.2 | D357 K363 | D357-H361 WeakPolarHBondContact OD1-CA 3.45Å; D357-H361 WeakPolarHBondContact OD1-CB 3.48Å; D357-H361 PolarHBondContact OD1-N 2.78Å; H361-K363 PolarHBondContact O-N 3.3Å |
| 362 | F | 43.9 | Very low | 43.7 | Very low | 142 Ų | 142 | 132.4 Ų | 132.4 | 62% | 0.623 | 69% | 0.692 | S | S | * | * | B | Isolated β-bridge | trans | -73.6 | 106 | 172.6 | -110.3 | -96.5 | 0 | 0 | 0 | 109.8 | S354 L356 G364 | S354-F362 VanDerWaalsContact OG-CE1 3.24Å; S354-F362 WeakPolarHBondContact OG-CE1 3.5Å; L356-F362 HydrophobicContact CD2-CD2 4.18Å; L356-F362 HydrophobicContact CD2-CE2 4.36Å; F362-G364 PolarHBondContact O-N 3.24Å |
| 363 | K | 44.8 | Very low | 43.7 | Very low | 176 Ų | 176 | 130 Ų | 130 | 77% | 0.765 | 68% | 0.676 | S | S | * | * | | | trans | -84.8 | 80.6 | 165.7 | -79.6 | -177.8 | -179.9 | 170.5 | 0 | 109.9 | H361 | H361-K363 PolarHBondContact O-N 3.3Š|
| 364 | G | 46.1 | Very low | 44.1 | Very low | 53 Ų | 53 | 126.9 Ų | 126.9 | 55% | 0.546 | 66% | 0.662 | S | S | . | * | S | Bend | trans | -162 | 119 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | F362 | F362-G364 PolarHBondContact O-N 3.24Š|
| 365 | G | 37.5 | Very low | 44.3 | Very low | 71 Ų | 71 | 131 Ų | 131 | 73% | 0.732 | 67% | 0.671 | S | S | * | * | | | trans | -56.5 | 143.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | R367 | G365-R367 PolarHBondContact O-N 3.49Š|
| 366 | A | 33.2 | Very low | 44.6 | Very low | 108 Ų | 108 | 128.3 Ų | 128.3 | 89% | 0.893 | 66% | 0.664 | S | S | * | * | | | trans | -47.3 | 108.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 367 | R | 38.6 | Very low | 44.5 | Very low | 189 Ų | 189 | 132 Ų | 132 | 71% | 0.713 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 124.7 | 168.3 | -79.3 | -178.3 | 155.9 | -167.4 | -4.5 | 108.4 | G365 F369 | G365-R367 PolarHBondContact O-N 3.49Å; R367-F369 PolarHBondContact O-N 3.05Å |
| 368 | K | 39.7 | Very low | 44 | Very low | 204 Ų | 204 | 133.8 Ų | 133.8 | 89% | 0.887 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 120.7 | 169.3 | -65.7 | -177.6 | 177.6 | -174.2 | 0 | 108.2 | | |
| 369 | F | 39 | Very low | 43.6 | Very low | 199 Ų | 199 | 127.3 Ų | 127.3 | 87% | 0.873 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 135.4 | 170.2 | -68.4 | -90 | 0 | 0 | 0 | 109.1 | R367 | R367-F369 PolarHBondContact O-N 3.05Š|
| 370 | L | 39.6 | Very low | 42.4 | Very low | 157 Ų | 157 | 131.4 Ų | 131.4 | 82% | 0.822 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 136.4 | 165.6 | -76.9 | 155.4 | 0 | 0 | 0 | 108 | I372 | L370-I372 PolarHBondContact O-N 2.79Š|
| 371 | P | 38.1 | Very low | 41.4 | Very low | 74 Ų | 74 | 135.4 Ų | 135.4 | 48% | 0.481 | 70% | 0.697 | S | S | . | * | P | Polyproline II helix | trans | -61 | 134.4 | 176.8 | 22.9 | -30.3 | 0 | 0 | 0 | 110.6 | Y373 | P371-Y373 HydrophobicContact CB-CE2 4.27Å; P371-Y373 HydrophobicContact CG-CE2 4.12Å |
| 372 | I | 46.2 | Very low | 40.7 | Very low | 142 Ų | 142 | 136 Ų | 136 | 73% | 0.728 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -97.3 | 121 | 172.8 | -58.2 | 173.9 | 0 | 0 | 0 | 106.8 | L370 | L370-I372 PolarHBondContact O-N 2.79Š|
| 373 | Y | 37.4 | Very low | 40.8 | Very low | 140 Ų | 140 | 133.1 Ų | 133.1 | 55% | 0.549 | 69% | 0.694 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -92 | 126.3 | 175.6 | -62.1 | -86.9 | 0 | 0 | 0 | 109.7 | P371 | P371-Y373 HydrophobicContact CB-CE2 4.27Å; P371-Y373 HydrophobicContact CG-CE2 4.12Å |
| 374 | K | 44.2 | Very low | 40.7 | Very low | 117 Ų | 117 | 130.9 Ų | 130.9 | 51% | 0.509 | 69% | 0.69 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -99.6 | 116.7 | 168.5 | -170.2 | 176.1 | -176.4 | 177.3 | 0 | 107.9 | V376 | K374-V376 HydrophobicContact CD-CG2 4.48Å; K374-V376 HydrophobicContact CG-CG2 4.26Å |
| 375 | K | 42.3 | Very low | 40.5 | Very low | 162 Ų | 162 | 134.1 Ų | 134.1 | 70% | 0.704 | 70% | 0.698 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -79.7 | 119.1 | 174.1 | -133.1 | 174.3 | -172.8 | 176.3 | 0 | 108.4 | | |
| 376 | V | 46.2 | Very low | 40.6 | Very low | 91 Ų | 91 | 139.7 Ų | 139.7 | 55% | 0.552 | 70% | 0.702 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -124 | 118.7 | 169.2 | -176.5 | 0 | 0 | 0 | 0 | 106 | K374 G378 | K374-V376 HydrophobicContact CD-CG2 4.48Å; K374-V376 HydrophobicContact CG-CG2 4.26Å; V376-G378 PolarHBondContact O-N 2.98Å |
| 377 | H | 38.1 | Very low | 40.3 | Very low | 191 Ų | 191 | 138.2 Ų | 138.2 | 88% | 0.884 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 23 | 88.3 | 174.7 | -81.7 | -82.6 | 0 | 0 | 0 | 116.4 | E379 | H377-E379 VanDerWaalsContact C-N 3.27Å; H377-E379 PolarHBondContact O-N 3.27Å |
| 378 | G | 42.7 | Very low | 39.8 | Very low | 87 Ų | 87 | 132.1 Ų | 132.1 | 90% | 0.897 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 76.5 | -11.3 | 161.8 | 0 | 0 | 0 | 0 | 0 | 117.8 | V376 | V376-G378 PolarHBondContact O-N 2.98Š|
| 379 | E | 39.9 | Very low | 39.4 | Very low | 118 Ų | 118 | 129 Ų | 129 | 55% | 0.551 | 70% | 0.696 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -125.8 | 125.3 | 178.3 | -68.7 | -173.5 | 164.1 | 0 | 0 | 111.7 | H377 K381 | H377-E379 VanDerWaalsContact C-N 3.27Å; H377-E379 PolarHBondContact O-N 3.27Å; E379-K381 PolarHBondContact O-N 3.39Å; E379-K381 VanDerWaalsContact OE2-CE 3.22Å; E379-K381 WeakPolarHBondContact OE2-CE 3.42Å; E379-K381 IonicContact OE2-NZ 3.75Å; E379-K381 PolarHBondContact OE2-NZ 2.96Å |
| 380 | E | 38.5 | Very low | 38.9 | Very low | 160 Ų | 160 | 122.6 Ų | 122.6 | 75% | 0.748 | 69% | 0.687 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -77.1 | 109.3 | 170.7 | -66.6 | -174.5 | 165 | 0 | 0 | 109.4 | | |
| 381 | K | 40.1 | Very low | 38.5 | Very low | 134 Ų | 134 | 120 Ų | 120 | 58% | 0.583 | 69% | 0.687 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -112 | 127.4 | 171 | -72.2 | -179.9 | -177.5 | 159.4 | 0 | 110.1 | E379 V383 | E379-K381 PolarHBondContact O-N 3.39Å; E379-K381 VanDerWaalsContact OE2-CE 3.22Å; E379-K381 WeakPolarHBondContact OE2-CE 3.42Å; E379-K381 IonicContact OE2-NZ 3.75Å; E379-K381 PolarHBondContact OE2-NZ 2.96Å; K381-V383 PolarHBondContact O-N 3.07Å |
| 382 | E | 39.1 | Very low | 38.3 | Very low | 141 Ų | 141 | 124.6 Ų | 124.6 | 66% | 0.659 | 70% | 0.702 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -68.3 | 116.2 | 173.7 | -169.9 | 177.8 | -177.7 | 0 | 0 | 109.1 | | |
| 383 | V | 45.2 | Very low | 37.7 | Very low | 81 Ų | 81 | 126.5 Ų | 126.5 | 49% | 0.491 | 71% | 0.708 | S | S | . | * | | | trans | -103.3 | 101.3 | 173.7 | -177.2 | 0 | 0 | 0 | 0 | 108.1 | K381 V385 | K381-V383 PolarHBondContact O-N 3.07Å; V383-V385 HydrophobicContact CG1-CG2 4.25Å; V383-V385 PolarHBondContact O-N 3.44Å; V383-V385 VanDerWaalsContact O-N 3.09Å |
| 384 | L | 42.2 | Very low | 37.7 | Very low | 130 Ų | 130 | 127.7 Ų | 127.7 | 68% | 0.681 | 72% | 0.718 | S | S | * | * | | | trans | -75 | 95.7 | 173.2 | -167.9 | 82 | 0 | 0 | 0 | 109.5 | K386 | L384-K386 HydrophobicContact CD2-CG 4.08Å; L384-K386 PolarHBondContact O-N 3.23Å |
| 385 | V | 42.4 | Very low | 37.3 | Very low | 121 Ų | 121 | 130.5 Ų | 130.5 | 73% | 0.733 | 73% | 0.73 | S | S | * | * | | | trans | -74.3 | 96.2 | 170.1 | -176 | 0 | 0 | 0 | 0 | 108.4 | V383 G387 | V383-V385 HydrophobicContact CG1-CG2 4.25Å; V383-V385 PolarHBondContact O-N 3.44Å; V383-V385 VanDerWaalsContact O-N 3.09Å; V385-G387 VanDerWaalsContact C-N 3.28Å; V385-G387 PolarHBondContact O-N 3.34Å |
| 386 | K | 39.1 | Very low | 37 | Very low | 187 Ų | 187 | 128.2 Ų | 128.2 | 81% | 0.813 | 73% | 0.732 | S | S | * | * | | | trans | -70.1 | 85.9 | 168.7 | -84 | -174.7 | 176.6 | 175.5 | 0 | 109.5 | L384 G388 | L384-K386 HydrophobicContact CD2-CG 4.08Å; L384-K386 PolarHBondContact O-N 3.23Å; K386-G388 PolarHBondContact O-N 3Å; K386-G388 VanDerWaalsContact O-N 3.13Å |
| 387 | G | 27.4 | Very low | 36.6 | Very low | 77 Ų | 77 | 134.5 Ų | 134.5 | 79% | 0.794 | 75% | 0.746 | S | S | * | * | | | trans | -74.3 | 89.2 | 161.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | V385 | V385-G387 VanDerWaalsContact C-N 3.28Å; V385-G387 PolarHBondContact O-N 3.34Å |
| 388 | G | 28.6 | Very low | 36.7 | Very low | 62 Ų | 62 | 133.7 Ų | 133.7 | 64% | 0.639 | 74% | 0.742 | S | S | * | * | | | trans | -146.2 | 121.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | K386 G390 | K386-G388 PolarHBondContact O-N 3Å; K386-G388 VanDerWaalsContact O-N 3.13Å; G388-G390 PolarHBondContact O-N 2.91Å |
| 389 | C | 30.7 | Very low | 36.8 | Very low | 138 Ų | 138 | 138 Ų | 138 | 93% | 0.932 | 74% | 0.739 | S | S | * | * | | | trans | -54.5 | 104.2 | 178.8 | -61.2 | 0 | 0 | 0 | 0 | 110.2 | A391 | C389-A391 PolarHBondContact O-N 2.75Š|
| 390 | G | 28.8 | Very low | 36.9 | Very low | 65 Ų | 65 | 140.1 Ų | 140.1 | 67% | 0.67 | 75% | 0.748 | S | S | * | * | | | trans | -65.3 | 114.2 | 162.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | G388 H392 | G388-G390 PolarHBondContact O-N 2.91Å; G390-H392 VanDerWaalsContact C-N 3.31Å; G390-H392 PolarHBondContact O-N 3.47Å |
| 391 | A | 31.1 | Very low | 37.2 | Very low | 101 Ų | 101 | 137.6 Ų | 137.6 | 84% | 0.835 | 74% | 0.744 | S | S | * | * | | | trans | -59.1 | 99.6 | 162.8 | 0 | 0 | 0 | 0 | 0 | 107.1 | C389 E393 | C389-A391 PolarHBondContact O-N 2.75Å; A391-E393 PolarHBondContact O-N 3.31Å |
| 392 | H | 33.4 | Very low | 37.4 | Very low | 172 Ų | 172 | 139.7 Ų | 139.7 | 80% | 0.796 | 76% | 0.755 | S | S | * | * | | | trans | -67.1 | 112.3 | 165.4 | -104.9 | -85.4 | 0 | 0 | 0 | 106.8 | G390 H394 | G390-H392 VanDerWaalsContact C-N 3.31Å; G390-H392 PolarHBondContact O-N 3.47Å; H392-H394 PolarHBondContact O-N 2.84Å |
| 393 | E | 34.8 | Very low | 37.6 | Very low | 181 Ų | 181 | 141.1 Ų | 141.1 | 85% | 0.846 | 76% | 0.761 | S | S | * | * | | | trans | -55.2 | 103.6 | 161 | -71.9 | 179.6 | 164.7 | 0 | 0 | 107.6 | A391 K395 | A391-E393 PolarHBondContact O-N 3.31Å; E393-K395 PolarHBondContact O-N 3.01Å |
| 394 | H | 36.5 | Very low | 37.6 | Very low | 165 Ų | 165 | 141.5 Ų | 141.5 | 76% | 0.764 | 77% | 0.773 | S | S | * | * | | | trans | -64.1 | 104.7 | 165.7 | -97.3 | -94.7 | 0 | 0 | 0 | 107.2 | H392 | H392-H394 PolarHBondContact O-N 2.84Š|
| 395 | K | 36.7 | Very low | 38 | Very low | 176 Ų | 176 | 140.4 Ų | 140.4 | 77% | 0.765 | 77% | 0.774 | S | S | * | * | | | trans | -54.1 | 135 | 161.1 | -73.8 | -179.6 | 177.6 | 178.6 | 0 | 108 | E393 W397 | E393-K395 PolarHBondContact O-N 3.01Å; K395-W397 PolarHBondContact O-N 3.18Å |
| 396 | P | 35.2 | Very low | 37.9 | Very low | 115 Ų | 115 | 142.8 Ų | 142.8 | 75% | 0.747 | 78% | 0.777 | S | S | * | * | | | trans | -63 | 115.8 | 174.7 | 24.9 | -29.4 | 0 | 0 | 0 | 107.5 | H398 | P396-H398 PolarHBondContact O-N 3.21Å; P396-H398 VanDerWaalsContact O-N 3.16Å |
| 397 | W | 39.1 | Very low | 38.3 | Very low | 222 Ų | 222 | 143.9 Ų | 143.9 | 84% | 0.841 | 78% | 0.777 | S | S | * | * | | | trans | -66.6 | 114.5 | 168.3 | -74.4 | 73.6 | 0 | 0 | 0 | 106.5 | K395 H399 | K395-W397 PolarHBondContact O-N 3.18Å; W397-H399 PolarHBondContact O-N 3.2Å |
| 398 | H | 39.9 | Very low | 39 | Very low | 174 Ų | 174 | 147.9 Ų | 147.9 | 81% | 0.806 | 78% | 0.775 | S | S | * | * | | | trans | -53.8 | 110.9 | 167 | -93.7 | -90.1 | 0 | 0 | 0 | 107.9 | P396 H400 | P396-H398 PolarHBondContact O-N 3.21Å; P396-H398 VanDerWaalsContact O-N 3.16Å; H398-H400 VanDerWaalsContact C-N 3.33Å; H398-H400 PolarHBondContact O-N 3.21Å |
| 399 | H | 43.4 | Very low | 40.3 | Very low | 178 Ų | 178 | 155.3 Ų | 155.3 | 82% | 0.824 | 78% | 0.784 | S | S | * | * | | | trans | -61 | 98.7 | 165.2 | -84.6 | -86.1 | 0 | 0 | 0 | 107.6 | W397 V401 | W397-H399 PolarHBondContact O-N 3.2Å; H399-V401 PolarHBondContact O-N 3.45Å; H399-V401 VanDerWaalsContact O-N 3.07Å |
| 400 | H | 43.7 | Very low | 41 | Very low | 162 Ų | 162 | 157.8 Ų | 157.8 | 75% | 0.75 | 78% | 0.782 | S | S | * | * | | | trans | -67.7 | 104.5 | 159 | -91.7 | -64.4 | 0 | 0 | 0 | 107.3 | H398 H402 | H398-H400 VanDerWaalsContact C-N 3.33Å; H398-H400 PolarHBondContact O-N 3.21Å; H400-H402 PolarHBondContact O-N 3.34Å |
| 401 | V | 43.2 | Very low | 42.2 | Very low | 107 Ų | 107 | 162 Ų | 162 | 65% | 0.648 | 78% | 0.784 | S | S | * | * | | | trans | -56.4 | 102.9 | 166.4 | 177.5 | 0 | 0 | 0 | 0 | 107.4 | H399 H403 | H399-V401 PolarHBondContact O-N 3.45Å; H399-V401 VanDerWaalsContact O-N 3.07Å; V401-H403 PolarHBondContact O-N 3.14Å |
| 402 | H | 44.6 | Very low | 43.1 | Very low | 179 Ų | 179 | 166.3 Ų | 166.3 | 83% | 0.829 | 78% | 0.784 | S | S | * | * | | | trans | -75.6 | 100.1 | 162.3 | -81.8 | -78.5 | 0 | 0 | 0 | 107.4 | H400 A404 | H400-H402 PolarHBondContact O-N 3.34Å; H402-A404 PolarHBondContact O-N 3.43Å |
| 403 | H | 44.3 | Very low | 44 | Very low | 170 Ų | 170 | 166 Ų | 166 | 79% | 0.787 | 78% | 0.783 | S | S | * | * | | | trans | -58.7 | 113.2 | 162.3 | -80.3 | -81 | 0 | 0 | 0 | 108.4 | V401 | V401-H403 PolarHBondContact O-N 3.14Š|
| 404 | A | 44.1 | Very low | 44.9 | Very low | 89 Ų | 89 | 164.1 Ų | 164.1 | 74% | 0.736 | 77% | 0.774 | S | S | * | * | | | trans | -70.5 | 137.1 | 166.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | H402 H406 | H402-A404 PolarHBondContact O-N 3.43Å; A404-H406 PolarHBondContact O-N 2.85Å |
| 405 | P | 50.9 | Low | 45.6 | Very low | 107 Ų | 107 | 163.3 Ų | 163.3 | 70% | 0.695 | 77% | 0.771 | S | S | * | * | | | trans | -73.1 | 126.7 | 176.8 | 28.9 | -30.3 | 0 | 0 | 0 | 110 | Y407 | P405-Y407 HydrophobicContact CB-CD2 4.39Å; P405-Y407 HydrophobicContact CB-CE2 4.27Å; P405-Y407 HydrophobicContact CG-CE2 4.41Å; P405-Y407 PolarHBondContact O-N 2.8Å |
| 406 | H | 41 | Very low | 46.4 | Very low | 171 Ų | 171 | 165.3 Ų | 165.3 | 79% | 0.792 | 77% | 0.773 | S | S | * | * | | | trans | -66.3 | 113.5 | 170 | -147.6 | -96.7 | 0 | 0 | 0 | 108.1 | A404 | A404-H406 PolarHBondContact O-N 2.85Š|
| 407 | Y | 48 | Very low | 47.5 | Very low | 210 Ų | 210 | 171.8 Ų | 171.8 | 82% | 0.824 | 79% | 0.793 | S | S | * | * | | | trans | -110.6 | 106.3 | 165.7 | -89 | -83.2 | 0 | 0 | 0 | 108.1 | P405 | P405-Y407 HydrophobicContact CB-CD2 4.39Å; P405-Y407 HydrophobicContact CB-CE2 4.27Å; P405-Y407 HydrophobicContact CG-CE2 4.41Å; P405-Y407 PolarHBondContact O-N 2.8Å |
| 408 | E | 41.1 | Very low | 47.9 | Very low | 162 Ų | 162 | 169.3 Ų | 169.3 | 76% | 0.757 | 79% | 0.791 | S | S | * | * | | | trans | -65.7 | 128 | 162.8 | -70.5 | 172.9 | 156.8 | 0 | 0 | 108.7 | | |
| 409 | W | 55.8 | Low | 48.3 | Very low | 218 Ų | 218 | 169.1 Ų | 169.1 | 83% | 0.826 | 79% | 0.79 | S | S | * | * | | | trans | -136.6 | 96.2 | 156.9 | -134.6 | 52 | 0 | 0 | 0 | 107.5 | E411 | W409-E411 WeakPolarHBondContact CH2-OE2 3.34Å; W409-E411 WeakPolarHBondContact CZ3-OE2 3.46Å |
| 410 | E | 45.6 | Very low | 48.6 | Very low | 189 Ų | 189 | 168.6 Ų | 168.6 | 88% | 0.883 | 79% | 0.788 | S | S | * | * | | | trans | -66.3 | 122.1 | 158.9 | -72.1 | -174.1 | 139.5 | 0 | 0 | 107.8 | | |
| 411 | E | 54.6 | Low | 48.9 | Very low | 153 Ų | 153 | 168.9 Ų | 168.9 | 72% | 0.715 | 79% | 0.79 | S | S | * | * | | | trans | -145.2 | 114 | 149.1 | -129.5 | 174.8 | -172.2 | 0 | 0 | 109.6 | W409 | W409-E411 WeakPolarHBondContact CH2-OE2 3.34Å; W409-E411 WeakPolarHBondContact CZ3-OE2 3.46Å |
| 412 | K | 50.2 | Low | 49.3 | Very low | 193 Ų | 193 | 172.8 Ų | 172.8 | 84% | 0.839 | 80% | 0.799 | S | S | * | * | | | trans | -59.1 | 153.2 | 167.9 | -74.9 | 169.6 | 173.9 | 168.7 | 0 | 110 | | |
| 413 | H | 51.7 | Low | 49.6 | Very low | 166 Ų | 166 | 172.4 Ų | 172.4 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | | | trans | 148.8 | 143.7 | 143.9 | -83.2 | -78.2 | 0 | 0 | 0 | 105.9 | | |
| 414 | E | 53.9 | Low | 50 | Low | 140 Ų | 140 | 172.6 Ų | 172.6 | 65% | 0.654 | 80% | 0.798 | S | S | * | * | | | cis | -178.8 | 138.9 | -15.9 | -179.4 | 163.5 | -154.4 | 0 | 0 | 102.9 | | |
| 415 | E | 50.6 | Low | 50.4 | Low | 149 Ų | 149 | 179 Ų | 179 | 70% | 0.696 | 80% | 0.803 | S | S | * | * | | | trans | 46.6 | 117.5 | 155 | -67.5 | -175 | 151.3 | 0 | 0 | 121.7 | | |
| 416 | R | 54.5 | Low | 50.4 | Low | 217 Ų | 217 | 185 Ų | 185 | 82% | 0.819 | 81% | 0.812 | S | S | * | * | | | | 159.2 | 103.8 | 112.2 | -93.8 | 176.8 | -98.5 | -142.7 | -8.2 | 111 | | |
| 417 | H | 57.4 | Low | 51.2 | Low | 252 Ų | 252 | 186.3 Ų | 186.3 | 100% | 1.167 | 81% | 0.813 | S | S | * | * | | | | 165.5 | 0 | 104.9 | -118.2 | -69 | 0 | 0 | 0 | 111.8 | | |