| 1 | M | 45.9 | Very low | 46.9 | Very low | 230 Ų | 230 | 156.5 Ų | 156.5 | 100% | 1.133 | 83% | 0.827 | S | S | * | * | | | | 0 | 92 | 0 | -72.3 | 156.5 | -175.8 | 0 | 0 | 106.7 | | |
| 2 | D | 39.1 | Very low | 46.5 | Very low | 167 Ų | 167 | 163.5 Ų | 163.5 | 89% | 0.893 | 84% | 0.837 | S | S | * | * | | | trans | -66 | 123.8 | -178.2 | -119.4 | -81.8 | 0 | 0 | 0 | 110.1 | | |
| 3 | F | 47.1 | Very low | 46.6 | Very low | 210 Ų | 210 | 154.3 Ų | 154.3 | 92% | 0.921 | 81% | 0.808 | S | S | * | * | | | trans | -108.5 | 80 | 176 | -101.3 | -86.9 | 0 | 0 | 0 | 108.1 | | |
| 4 | G | 44.6 | Very low | 46.4 | Very low | 59 Ų | 59 | 153.5 Ų | 153.5 | 61% | 0.608 | 81% | 0.805 | S | S | * | * | | | trans | -149.7 | 75.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 5 | K | 54.7 | Low | 46.7 | Very low | 203 Ų | 203 | 152.4 Ų | 152.4 | 88% | 0.883 | 80% | 0.799 | S | S | * | * | | | trans | -173.4 | 135.5 | 159.1 | -108.7 | 161.5 | -171.9 | 179.2 | 0 | 111.4 | | |
| 6 | L | 50.3 | Low | 46.6 | Very low | 162 Ų | 162 | 151.5 Ų | 151.5 | 85% | 0.848 | 80% | 0.795 | S | S | * | * | | | trans | 90 | 70.2 | 164.9 | -47.7 | -174.7 | 0 | 0 | 0 | 117.3 | | |
| 7 | N | 44 | Very low | 46.8 | Very low | 164 Ų | 164 | 152.8 Ų | 152.8 | 88% | 0.877 | 80% | 0.798 | S | S | * | * | | | trans | -78 | 95.8 | 134.7 | 178.1 | 63.5 | 0 | 0 | 0 | 108.4 | | |
| 8 | E | 47.3 | Very low | 47.2 | Very low | 143 Ų | 143 | 152.2 Ų | 152.2 | 67% | 0.668 | 80% | 0.802 | S | S | * | * | | | trans | -170.3 | 108.2 | 152 | -115.7 | -160.6 | 139 | 0 | 0 | 107.6 | | |
| 9 | L | 45 | Very low | 46.9 | Very low | 167 Ų | 167 | 147.6 Ų | 147.6 | 87% | 0.874 | 80% | 0.795 | S | S | * | * | | | | -176.5 | 122.3 | 124.9 | -94.9 | 162.9 | 0 | 0 | 0 | 108.7 | | |
| 10 | S | 48.3 | Very low | 47.2 | Very low | 91 Ų | 91 | 147.3 Ų | 147.3 | 64% | 0.636 | 80% | 0.801 | S | S | * | * | | | trans | -54.2 | 145.7 | 179.4 | 47.8 | 0 | 0 | 0 | 0 | 114.4 | | |
| 11 | V | 49.8 | Very low | 47.2 | Very low | 125 Ų | 125 | 144.2 Ų | 144.2 | 76% | 0.758 | 80% | 0.804 | S | S | * | * | | | | 47.7 | 108.4 | 124.6 | -170.3 | 0 | 0 | 0 | 0 | 116.6 | | |
| 12 | Y | 42.5 | Very low | 47.2 | Very low | 241 Ų | 241 | 136.8 Ų | 136.8 | 95% | 0.945 | 79% | 0.786 | S | S | * | * | | | trans | -121.9 | 94.9 | 141.9 | -100.6 | -83.7 | 0 | 0 | 0 | 107.2 | | |
| 13 | G | 47.2 | Very low | 47.9 | Very low | 44 Ų | 44 | 135.5 Ų | 135.5 | 45% | 0.454 | 79% | 0.787 | S | S | . | * | | | trans | -100.8 | 144.9 | 150 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 14 | D | 43.8 | Very low | 48.1 | Very low | 143 Ų | 143 | 130.4 Ų | 130.4 | 77% | 0.765 | 78% | 0.783 | S | S | * | * | | | trans | 75.8 | 111.5 | 152.5 | -67.8 | -64.2 | 0 | 0 | 0 | 120.8 | | |
| 15 | L | 50.4 | Low | 48.3 | Very low | 137 Ų | 137 | 132.2 Ų | 132.2 | 72% | 0.717 | 79% | 0.793 | S | S | * | * | | | | 55.2 | 114 | 120.7 | -71 | 162 | 0 | 0 | 0 | 118.7 | | |
| 16 | D | 46.3 | Very low | 47.9 | Very low | 138 Ų | 138 | 127.6 Ų | 127.6 | 74% | 0.738 | 79% | 0.793 | S | S | * | * | | | trans | 31 | 114.8 | 135.6 | -59.6 | -41 | 0 | 0 | 0 | 118.2 | | |
| 17 | M | 49.4 | Very low | 48.3 | Very low | 173 Ų | 173 | 129 Ų | 129 | 85% | 0.852 | 80% | 0.797 | S | S | * | * | | | | 165.8 | 119.1 | 122.7 | -84.9 | -72.8 | 175 | 0 | 0 | 110.8 | | |
| 18 | V | 54 | Low | 48.7 | Very low | 142 Ų | 142 | 126.1 Ų | 126.1 | 86% | 0.861 | 80% | 0.796 | S | S | * | * | | | trans | 30.7 | 122.7 | 136.8 | -176.1 | 0 | 0 | 0 | 0 | 119.5 | | |
| 19 | G | 42.5 | Very low | 49.5 | Very low | 66 Ų | 66 | 127.6 Ų | 127.6 | 68% | 0.68 | 80% | 0.8 | S | S | * | * | | | trans | 132.9 | 120.2 | 144.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 20 | P | 51.7 | Low | 50.5 | Low | 140 Ų | 140 | 125.1 Ų | 125.1 | 91% | 0.909 | 79% | 0.794 | S | S | * | * | | | trans | -95 | 145.1 | -178.8 | 36.1 | -29.6 | 0 | 0 | 0 | 112.6 | | |
| 21 | G | 47.9 | Very low | 51.3 | Low | 84 Ų | 84 | 127 Ų | 127 | 87% | 0.866 | 81% | 0.805 | S | S | * | * | | | trans | 152.2 | 118.6 | 160.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 22 | G | 45.7 | Very low | 51.4 | Low | 73 Ų | 73 | 124.8 Ų | 124.8 | 75% | 0.753 | 81% | 0.807 | S | S | * | * | | | trans | 115.7 | 118.2 | 153.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 23 | P | 53.2 | Low | 51.9 | Low | 140 Ų | 140 | 117.2 Ų | 117.2 | 91% | 0.909 | 79% | 0.794 | S | S | * | * | | | trans | -88 | 128.1 | 172.8 | 33.6 | -27.8 | 0 | 0 | 0 | 110.7 | | |
| 24 | A | 51.4 | Low | 52.4 | Low | 103 Ų | 103 | 123.1 Ų | 123.1 | 85% | 0.851 | 81% | 0.808 | S | S | * | * | | | trans | -127.7 | 143.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 25 | A | 49.9 | Very low | 53 | Low | 98 Ų | 98 | 124.9 Ų | 124.9 | 81% | 0.81 | 81% | 0.809 | S | S | * | * | | | trans | -64.4 | 146.5 | -158.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | M27 | A25-M27 PolarHBondContact O-N 3.45Š|
| 26 | A | 45.6 | Very low | 53 | Low | 106 Ų | 106 | 125.2 Ų | 125.2 | 88% | 0.876 | 81% | 0.807 | S | S | * | * | | | trans | -71.8 | 119 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 27 | M | 59 | Low | 53.2 | Low | 191 Ų | 191 | 124.8 Ų | 124.8 | 94% | 0.941 | 80% | 0.804 | S | S | * | * | | | trans | -107.5 | 113.2 | 159.7 | -82.7 | -177.5 | 171.2 | 0 | 0 | 108.5 | A25 | A25-M27 PolarHBondContact O-N 3.45Š|
| 28 | A | 52.1 | Low | 53.1 | Low | 104 Ų | 104 | 122.1 Ų | 122.1 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -71 | 129.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 29 | K | 63 | Low | 53.2 | Low | 173 Ų | 173 | 120.6 Ų | 120.6 | 75% | 0.752 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -98.8 | 130 | 175.4 | -144.7 | 171.2 | -174.1 | 172.8 | 0 | 109 | | |
| 30 | P | 66.2 | Low | 53.7 | Low | 115 Ų | 115 | 122.6 Ų | 122.6 | 75% | 0.747 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 144 | 178 | 28.2 | -32.8 | 0 | 0 | 0 | 111.5 | G32 | P30-G32 PolarHBondContact O-N 3.27Š|
| 31 | P | 65.8 | Low | 54.4 | Low | 132 Ų | 132 | 121.6 Ų | 121.6 | 86% | 0.857 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 118.7 | 179.9 | 29.8 | -32.5 | 0 | 0 | 0 | 112.6 | | |
| 32 | G | 52.7 | Low | 55.3 | Low | 78 Ų | 78 | 123.7 Ų | 123.7 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | | | trans | 45.3 | 95.7 | 144.8 | 0 | 0 | 0 | 0 | 0 | 120 | P30 | P30-G32 PolarHBondContact O-N 3.27Š|
| 33 | A | 52.4 | Low | 56.2 | Low | 82 Ų | 82 | 123.1 Ų | 123.1 | 68% | 0.678 | 76% | 0.764 | S | S | * | * | | | trans | -92.3 | 112.9 | 148.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | F35 | A33-F35 HydrophobicContact CB-CE2 4.34Š|
| 34 | F | 57.3 | Low | 56.4 | Low | 167 Ų | 167 | 118.8 Ų | 118.8 | 73% | 0.732 | 74% | 0.737 | S | S | * | * | | | trans | -82.5 | 116.9 | 168.9 | 172.3 | -102.7 | 0 | 0 | 0 | 107.9 | E36 | F34-E36 HydrophobicContact CD1-CB 4.12Å; F34-E36 HydrophobicContact CE1-CB 3.48Å; F34-E36 VanDerWaalsContact CE1-CB 3.48Å; F34-E36 HydrophobicContact CE1-CG 3.56Å; F34-E36 HydrophobicContact CZ-CB 4.16Å; F34-E36 HydrophobicContact CZ-CG 3.92Å |
| 35 | F | 55.6 | Low | 56.9 | Low | 180 Ų | 180 | 119.3 Ų | 119.3 | 79% | 0.789 | 73% | 0.725 | S | S | * | * | | | trans | -88.5 | 109.1 | 168.4 | -64.8 | -84.8 | 0 | 0 | 0 | 107.7 | A33 | A33-F35 HydrophobicContact CB-CE2 4.34Š|
| 36 | E | 51.7 | Low | 57.2 | Low | 145 Ų | 145 | 123.3 Ų | 123.3 | 68% | 0.678 | 72% | 0.72 | S | S | * | * | | | trans | -84.1 | 110.7 | 169.7 | -150.9 | 171.2 | 157.6 | 0 | 0 | 108.2 | F34 N38 | F34-E36 HydrophobicContact CD1-CB 4.12Å; F34-E36 HydrophobicContact CE1-CB 3.48Å; F34-E36 VanDerWaalsContact CE1-CB 3.48Å; F34-E36 HydrophobicContact CE1-CG 3.56Å; F34-E36 HydrophobicContact CZ-CB 4.16Å; F34-E36 HydrophobicContact CZ-CG 3.92Å; E36-N38 PolarHBondContact O-N 3.49Å |
| 37 | L | 50.3 | Low | 57.8 | Low | 129 Ų | 129 | 124.6 Ų | 124.6 | 68% | 0.675 | 72% | 0.72 | S | S | * | * | | | trans | -82.6 | 107.9 | 170.8 | -74 | 172.6 | 0 | 0 | 0 | 108.4 | L45 | L37-L45 HydrophobicContact CD1-CD2 4.19Å; L37-L45 HydrophobicContact CD2-CD2 3.88Å |
| 38 | N | 47.8 | Very low | 57.3 | Low | 116 Ų | 116 | 119.3 Ų | 119.3 | 62% | 0.62 | 70% | 0.702 | S | S | * | * | | | trans | -88.5 | 115.5 | 170 | -124.1 | 37.1 | 0 | 0 | 0 | 109.6 | E36 H40 | E36-N38 PolarHBondContact O-N 3.49Å; N38-H40 PolarHBondContact O-N 3.39Å |
| 39 | V | 55.9 | Low | 57.2 | Low | 111 Ų | 111 | 119.4 Ų | 119.4 | 67% | 0.673 | 70% | 0.702 | S | S | * | * | | | trans | -76.4 | 110.3 | 171.6 | 177.1 | 0 | 0 | 0 | 0 | 108.1 | | |
| 40 | H | 52.9 | Low | 56.8 | Low | 108 Ų | 108 | 116.9 Ų | 116.9 | 50% | 0.5 | 70% | 0.701 | S | S | . | * | | | trans | -75.5 | 150.3 | 169.1 | -72.2 | 79.3 | 0 | 0 | 0 | 109.9 | N38 N42 G43 | N38-H40 PolarHBondContact O-N 3.39Å; H40-N42 WeakPolarHBondContact CB-OD1 3.25Å; H40-N42 PolarHBondContact O-N 3.38Å; H40-G43 PolarHBondContact O-N 3.27Å |
| 41 | A | 65.4 | Low | 55.7 | Low | 119 Ų | 119 | 114.3 Ų | 114.3 | 98% | 0.983 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.6 | -7.4 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 42 | N | 67.3 | Low | 54.5 | Low | 128 Ų | 128 | 111.5 Ų | 111.5 | 68% | 0.684 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.8 | 10.3 | 176.3 | 52.1 | -30.3 | 0 | 0 | 0 | 114.1 | H40 S44 | H40-N42 WeakPolarHBondContact CB-OD1 3.25Å; H40-N42 PolarHBondContact O-N 3.38Å; N42-S44 PolarHBondContact O-N 3.44Å; N42-S44 VanDerWaalsContact O-N 3.11Å |
| 43 | G | 64.7 | Low | 53.9 | Low | 60 Ų | 60 | 118.5 Ų | 118.5 | 62% | 0.619 | 70% | 0.695 | S | S | * | * | | | trans | 70.4 | 5.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | H40 | H40-G43 PolarHBondContact O-N 3.27Š|
| 44 | S | 58.1 | Low | 53.7 | Low | 50 Ų | 50 | 122.5 Ų | 122.5 | 35% | 0.35 | 70% | 0.699 | S | S | . | * | | | trans | -94.8 | 116.3 | -179.2 | -135.5 | 0 | 0 | 0 | 0 | 111 | N42 Y46 | N42-S44 PolarHBondContact O-N 3.44Å; N42-S44 VanDerWaalsContact O-N 3.11Å; S44-Y46 PolarHBondContact O-N 3.34Å; S44-Y46 VanDerWaalsContact OG-CE2 3.25Å; S44-Y46 WeakPolarHBondContact OG-CE2 3.5Å |
| 45 | L | 61 | Low | 53.2 | Low | 113 Ų | 113 | 122.7 Ų | 122.7 | 59% | 0.592 | 70% | 0.703 | S | S | * | * | | | trans | -80.5 | 105.5 | 170.1 | -88.5 | 84.9 | 0 | 0 | 0 | 109.1 | L37 | L37-L45 HydrophobicContact CD1-CD2 4.19Å; L37-L45 HydrophobicContact CD2-CD2 3.88Å |
| 46 | Y | 55.4 | Low | 52.8 | Low | 183 Ų | 183 | 120.6 Ų | 120.6 | 72% | 0.718 | 70% | 0.698 | S | S | * | * | | | trans | -117.9 | 135.8 | 163 | -75.3 | -82.7 | 0 | 0 | 0 | 109.8 | S44 S48 | S44-Y46 PolarHBondContact O-N 3.34Å; S44-Y46 VanDerWaalsContact OG-CE2 3.25Å; S44-Y46 WeakPolarHBondContact OG-CE2 3.5Å; Y46-S48 PolarHBondContact O-N 3.42Å |
| 47 | P | 58.6 | Low | 52.1 | Low | 133 Ų | 133 | 124.7 Ų | 124.7 | 86% | 0.864 | 71% | 0.707 | S | S | * | * | | | trans | -68.9 | 98.5 | 168.4 | 28.3 | -31.1 | 0 | 0 | 0 | 108.6 | | |
| 48 | S | 48.2 | Very low | 51.7 | Low | 80 Ų | 80 | 123.5 Ų | 123.5 | 56% | 0.559 | 71% | 0.71 | S | S | * | * | | | trans | -88.2 | 109.1 | 172.7 | -175.5 | 0 | 0 | 0 | 0 | 109.9 | Y46 T50 | Y46-S48 PolarHBondContact O-N 3.42Å; S48-T50 PolarHBondContact O-N 3.26Å; S48-T50 WeakPolarHBondContact OG-CG2 3.21Å; S48-T50 PolarHBondContact OG-OG1 3.35Å |
| 49 | A | 50.7 | Low | 51.8 | Low | 106 Ų | 106 | 124.6 Ų | 124.6 | 88% | 0.876 | 72% | 0.721 | S | S | * | * | | | trans | -77.5 | 72 | 165.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 50 | T | 55.3 | Low | 51.2 | Low | 119 Ų | 119 | 128.7 Ų | 128.7 | 73% | 0.73 | 73% | 0.73 | S | S | * | * | | | trans | -102.9 | 106 | 169.3 | 37.8 | 0 | 0 | 0 | 0 | 108.9 | S48 | S48-T50 PolarHBondContact O-N 3.26Å; S48-T50 WeakPolarHBondContact OG-CG2 3.21Å; S48-T50 PolarHBondContact OG-OG1 3.35Å |
| 51 | G | 43.7 | Very low | 51 | Low | 61 Ų | 61 | 128.8 Ų | 128.8 | 63% | 0.629 | 74% | 0.738 | S | S | * | * | | | trans | -56 | 146.1 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y53 | G51-Y53 PolarHBondContact O-N 3.04Å; G51-Y53 VanDerWaalsContact O-N 3.12Å |
| 52 | G | 39.7 | Very low | 50.2 | Low | 74 Ų | 74 | 131.5 Ų | 131.5 | 76% | 0.763 | 73% | 0.73 | S | S | * | * | | | trans | -60.9 | 110.2 | 163 | 0 | 0 | 0 | 0 | 0 | 109.6 | H54 | G52-H54 PolarHBondContact O-N 3.44Š|
| 53 | Y | 39 | Very low | 49.3 | Very low | 224 Ų | 224 | 128.8 Ų | 128.8 | 88% | 0.878 | 73% | 0.733 | S | S | * | * | | | trans | -70.5 | 86.2 | 160.3 | -82.9 | -90.9 | 0 | 0 | 0 | 108.2 | G51 Q55 | G51-Y53 PolarHBondContact O-N 3.04Å; G51-Y53 VanDerWaalsContact O-N 3.12Å; Y53-Q55 PolarHBondContact O-N 3Å |
| 54 | H | 49.2 | Very low | 49.2 | Very low | 166 Ų | 166 | 132.4 Ų | 132.4 | 77% | 0.769 | 75% | 0.745 | S | S | * | * | | | trans | -63.6 | 110.5 | 145.5 | -83.3 | -81.7 | 0 | 0 | 0 | 106.6 | G52 I56 | G52-H54 PolarHBondContact O-N 3.44Å; H54-I56 PolarHBondContact O-N 3.42Å |
| 55 | Q | 46.1 | Very low | 48.5 | Very low | 172 Ų | 172 | 139.2 Ų | 139.2 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | | | trans | -57.6 | 84.4 | 162.6 | -88.4 | -85.8 | 24.7 | 0 | 0 | 108.7 | Y53 | Y53-Q55 PolarHBondContact O-N 3Š|
| 56 | I | 48.5 | Very low | 47.6 | Very low | 135 Ų | 135 | 138.2 Ų | 138.2 | 69% | 0.692 | 78% | 0.782 | S | S | * | * | | | trans | -110.7 | 99.9 | 156.6 | -58.5 | -177.7 | 0 | 0 | 0 | 104.5 | H54 S58 | H54-I56 PolarHBondContact O-N 3.42Å; I56-S58 VanDerWaalsContact C-N 3.3Å; I56-S58 PolarHBondContact O-N 2.9Å |
| 57 | R | 37.1 | Very low | 47 | Very low | 231 Ų | 231 | 134.4 Ų | 134.4 | 87% | 0.872 | 79% | 0.788 | S | S | * | * | | | trans | -75.6 | 85.3 | 179.1 | -151.2 | -178.7 | -172.5 | -156.3 | 2.2 | 107.8 | | |
| 58 | S | 41.4 | Very low | 46.5 | Very low | 104 Ų | 104 | 132.1 Ų | 132.1 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | | | trans | -134.8 | 91.5 | 167.4 | -66.6 | 0 | 0 | 0 | 0 | 108.5 | I56 F60 | I56-S58 VanDerWaalsContact C-N 3.3Å; I56-S58 PolarHBondContact O-N 2.9Å; S58-F60 PolarHBondContact O-N 2.98Å |
| 59 | T | 49 | Very low | 46.5 | Very low | 139 Ų | 139 | 137.8 Ų | 137.8 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | | | trans | -72.6 | 108.5 | 171.7 | 46.4 | 0 | 0 | 0 | 0 | 109.1 | | |
| 60 | F | 44.6 | Very low | 46.1 | Very low | 197 Ų | 197 | 136.4 Ų | 136.4 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | | | trans | -125 | 105.7 | 157.8 | 179.1 | -91.6 | 0 | 0 | 0 | 106.6 | S58 | S58-F60 PolarHBondContact O-N 2.98Š|
| 61 | T | 48.3 | Very low | 45.6 | Very low | 110 Ų | 110 | 135.5 Ų | 135.5 | 68% | 0.675 | 80% | 0.802 | S | S | * | * | | | trans | -162.7 | 113.6 | 164.7 | 26.9 | 0 | 0 | 0 | 0 | 111.2 | | |
| 62 | H | 47.5 | Very low | 46.3 | Very low | 176 Ų | 176 | 137.2 Ų | 137.2 | 82% | 0.815 | 81% | 0.81 | S | S | * | * | | | trans | 74.8 | 101.7 | 148.3 | -52.8 | -62.4 | 0 | 0 | 0 | 119.8 | | |
| 63 | G | 49.7 | Very low | 47.1 | Very low | 72 Ų | 72 | 139.1 Ų | 139.1 | 74% | 0.742 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -93.7 | 148.7 | 150.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 64 | P | 61.9 | Low | 47.8 | Very low | 136 Ų | 136 | 133.1 Ų | 133.1 | 88% | 0.883 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -89.3 | 165.4 | -170.7 | 35.9 | -33.8 | 0 | 0 | 0 | 114.1 | | |
| 65 | M | 43 | Very low | 47.8 | Very low | 192 Ų | 192 | 132.5 Ų | 132.5 | 95% | 0.946 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 147.2 | -173.2 | -54.3 | -179.1 | 178.3 | 0 | 0 | 114.3 | | |
| 66 | A | 43.3 | Very low | 48 | Very low | 93 Ų | 93 | 127.2 Ų | 127.2 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | | | trans | -169.2 | 108.1 | 144.3 | 0 | 0 | 0 | 0 | 0 | 107.5 | | |
| 67 | A | 43.4 | Very low | 48 | Very low | 102 Ų | 102 | 129.9 Ų | 129.9 | 84% | 0.843 | 80% | 0.802 | S | S | * | * | | | | 57.8 | 132.2 | 96.1 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 68 | A | 46.3 | Very low | 48.3 | Very low | 86 Ų | 86 | 122.6 Ų | 122.6 | 71% | 0.711 | 80% | 0.799 | S | S | * | * | | | cis | -174.4 | 174.2 | -5.4 | 0 | 0 | 0 | 0 | 0 | 105.8 | | |
| 69 | M | 48.5 | Very low | 48.5 | Very low | 198 Ų | 198 | 127.6 Ų | 127.6 | 98% | 0.975 | 81% | 0.808 | S | S | * | * | | | trans | 96.2 | 118.2 | 157.6 | -50.8 | -166.8 | 143.6 | 0 | 0 | 118.4 | | |
| 70 | G | 43 | Very low | 48.4 | Very low | 78 Ų | 78 | 126 Ų | 126 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | | | trans | 149.7 | 76.3 | 152.4 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 71 | A | 44.2 | Very low | 48.6 | Very low | 100 Ų | 100 | 121.7 Ų | 121.7 | 83% | 0.826 | 79% | 0.793 | S | S | * | * | | | trans | 57.4 | 94 | 142.4 | 0 | 0 | 0 | 0 | 0 | 122.4 | | |
| 72 | A | 59.2 | Low | 48.3 | Very low | 96 Ų | 96 | 128.8 Ų | 128.8 | 79% | 0.793 | 81% | 0.807 | S | S | * | * | | | | 36.9 | 165.8 | 100.3 | 0 | 0 | 0 | 0 | 0 | 122.4 | | |
| 73 | P | 55.7 | Low | 48.1 | Very low | 115 Ų | 115 | 123.9 Ų | 123.9 | 75% | 0.747 | 80% | 0.804 | S | S | * | * | | | | -140.7 | -153.4 | -98.1 | 38.3 | -13.9 | 0 | 0 | 0 | 113.9 | | |
| 74 | S | 53.9 | Low | 48.1 | Very low | 97 Ų | 97 | 127.7 Ų | 127.7 | 68% | 0.678 | 81% | 0.806 | S | S | * | * | | | trans | 84.1 | 142 | 157.7 | 78.7 | 0 | 0 | 0 | 0 | 116.8 | | |
| 75 | D | 49 | Very low | 47.7 | Very low | 154 Ų | 154 | 127.3 Ų | 127.3 | 82% | 0.824 | 80% | 0.803 | S | S | * | * | | | cis | -162.3 | 160.4 | 5 | -91.1 | -39.2 | 0 | 0 | 0 | 107.6 | | |
| 76 | G | 49.7 | Very low | 48.3 | Very low | 60 Ų | 60 | 123.5 Ų | 123.5 | 62% | 0.619 | 80% | 0.795 | S | S | * | * | | | trans | 158.7 | 75 | 162.3 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 77 | H | 49.5 | Very low | 48.9 | Very low | 191 Ų | 191 | 124.7 Ų | 124.7 | 88% | 0.884 | 79% | 0.794 | S | S | * | * | | | trans | 39.3 | 129.4 | 140.6 | -26.8 | -63.2 | 0 | 0 | 0 | 122.5 | | |
| 78 | G | 43.6 | Very low | 49.7 | Very low | 78 Ų | 78 | 125.4 Ų | 125.4 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | | | trans | 140.6 | 107.5 | 136.7 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 79 | F | 46.4 | Very low | 50.3 | Low | 209 Ų | 209 | 127.5 Ų | 127.5 | 92% | 0.917 | 79% | 0.793 | S | S | * | * | | | trans | 82.1 | 152.7 | 142.6 | -148.5 | -100.1 | 0 | 0 | 0 | 121.1 | | |
| 80 | V | 46.6 | Very low | 50.5 | Low | 106 Ų | 106 | 128 Ų | 128 | 64% | 0.642 | 79% | 0.786 | S | S | * | * | | | trans | -114.4 | 156 | -146.4 | -153.5 | 0 | 0 | 0 | 0 | 110.9 | | |
| 81 | S | 48.1 | Very low | 51.5 | Low | 107 Ų | 107 | 129.1 Ų | 129.1 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | | | trans | 100.9 | 108.1 | 149.5 | -55.9 | 0 | 0 | 0 | 0 | 119.9 | | |
| 82 | R | 41.2 | Very low | 51.5 | Low | 259 Ų | 259 | 132.6 Ų | 132.6 | 98% | 0.977 | 78% | 0.776 | S | S | * | * | | | trans | 66.6 | 99 | 133.5 | -133.1 | 173.9 | -155 | 159.3 | 4.9 | 118.4 | | |
| 83 | G | 44.4 | Very low | 51 | Low | 73 Ų | 73 | 138.2 Ų | 138.2 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | | | trans | -147.6 | 113.1 | 164.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 84 | I | 50.1 | Low | 50.7 | Low | 151 Ų | 151 | 139.5 Ų | 139.5 | 77% | 0.774 | 77% | 0.774 | S | S | * | * | | | trans | 11.8 | 127.7 | 151.1 | -46.5 | 176.5 | 0 | 0 | 0 | 118.1 | S86 | I84-S86 PolarHBondContact O-N 2.94Š|
| 85 | P | 52.1 | Low | 50.3 | Low | 129 Ų | 129 | 142.2 Ų | 142.2 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 116.9 | 164 | 30.5 | -29.4 | 0 | 0 | 0 | 111.3 | | |
| 86 | S | 55.7 | Low | 50.6 | Low | 111 Ų | 111 | 140.4 Ų | 140.4 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 140.7 | 172.6 | -44.1 | 0 | 0 | 0 | 0 | 111.4 | I84 | I84-S86 PolarHBondContact O-N 2.94Š|
| 87 | T | 55.8 | Low | 50.5 | Low | 119 Ų | 119 | 142.2 Ų | 142.2 | 73% | 0.73 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 146.8 | 175.1 | 49.3 | 0 | 0 | 0 | 0 | 113.9 | T89 | T87-T89 PolarHBondContact O-N 3.28Š|
| 88 | P | 61.3 | Low | 51 | Low | 117 Ų | 117 | 139.2 Ų | 139.2 | 76% | 0.76 | 78% | 0.776 | S | S | * | * | | | trans | -73.8 | 113.3 | 170.8 | 29 | -30.4 | 0 | 0 | 0 | 110.7 | | |
| 89 | T | 58.1 | Low | 51 | Low | 129 Ų | 129 | 144.6 Ų | 144.6 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 118.9 | 169.6 | -68.3 | 0 | 0 | 0 | 0 | 109.6 | T87 | T87-T89 PolarHBondContact O-N 3.28Š|
| 90 | Y | 53.2 | Low | 51.1 | Low | 208 Ų | 208 | 143.5 Ų | 143.5 | 82% | 0.816 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 136.6 | 167.5 | -81.1 | -89 | 0 | 0 | 0 | 110.3 | F92 | Y90-F92 PolarHBondContact O-N 3.47Š|
| 91 | P | 64.7 | Low | 51.1 | Low | 102 Ų | 102 | 142.8 Ų | 142.8 | 66% | 0.662 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 118.7 | 176.7 | 28.1 | -32 | 0 | 0 | 0 | 110.3 | Y93 | P91-Y93 PolarHBondContact O-N 3.11Š|
| 92 | F | 42.7 | Very low | 50.8 | Low | 174 Ų | 174 | 144.4 Ų | 144.4 | 76% | 0.763 | 78% | 0.78 | S | S | * | * | | | trans | -67.3 | 108.1 | 166 | 178.8 | -104.4 | 0 | 0 | 0 | 109 | Y90 Q94 | Y90-F92 PolarHBondContact O-N 3.47Å; F92-Q94 HydrophobicContact CD1-CG 3.8Å; F92-Q94 HydrophobicContact CE1-CG 3.4Å; F92-Q94 HydrophobicContact CZ-CG 4.44Å; F92-Q94 PolarHBondContact O-N 3.35Å |
| 93 | Y | 49.7 | Very low | 51.6 | Low | 213 Ų | 213 | 137.6 Ų | 137.6 | 84% | 0.835 | 77% | 0.77 | S | S | * | * | | | trans | -81.8 | 106.7 | 167.7 | -97.9 | -87.6 | 0 | 0 | 0 | 109.4 | P91 N95 | P91-Y93 PolarHBondContact O-N 3.11Å; Y93-N95 PolarHBondContact O-N 2.94Å |
| 94 | Q | 48.2 | Very low | 51.6 | Low | 143 Ų | 143 | 139 Ų | 139 | 67% | 0.668 | 77% | 0.768 | S | S | * | * | | | trans | -62.2 | 121.4 | 161.5 | -79.7 | 172.7 | -16.2 | 0 | 0 | 109 | F92 V96 | F92-Q94 HydrophobicContact CD1-CG 3.8Å; F92-Q94 HydrophobicContact CE1-CG 3.4Å; F92-Q94 HydrophobicContact CZ-CG 4.44Å; F92-Q94 PolarHBondContact O-N 3.35Å; Q94-V96 PolarHBondContact O-N 2.77Å |
| 95 | N | 46 | Very low | 51.5 | Low | 154 Ų | 154 | 136 Ų | 136 | 82% | 0.824 | 77% | 0.765 | S | S | * | * | | | trans | -83.7 | 98.5 | 165.5 | -168.1 | -27.4 | 0 | 0 | 0 | 107.5 | Y93 | Y93-N95 PolarHBondContact O-N 2.94Š|
| 96 | V | 56.3 | Low | 51.6 | Low | 115 Ų | 115 | 138.3 Ų | 138.3 | 70% | 0.697 | 77% | 0.765 | S | S | * | * | | | trans | -97.9 | 120.5 | 166.9 | -73.5 | 0 | 0 | 0 | 0 | 108.6 | Q94 | Q94-V96 PolarHBondContact O-N 2.77Š|
| 97 | S | 46.8 | Very low | 51.3 | Low | 99 Ų | 99 | 139.1 Ų | 139.1 | 69% | 0.692 | 77% | 0.766 | S | S | * | * | | | trans | -61.6 | 136.7 | 171.4 | -51.9 | 0 | 0 | 0 | 0 | 111 | | |
| 98 | P | 60 | Low | 50.7 | Low | 127 Ų | 127 | 140.9 Ų | 140.9 | 83% | 0.825 | 77% | 0.77 | S | S | * | * | | | trans | -92.9 | 104.2 | 160.2 | 9.2 | 9.5 | 0 | 0 | 0 | 109.3 | | |
| 99 | F | 44.4 | Very low | 50 | Low | 191 Ų | 191 | 139.8 Ų | 139.8 | 84% | 0.838 | 76% | 0.763 | S | S | * | * | | | trans | -93.2 | 156.4 | 147 | -91.1 | -87.5 | 0 | 0 | 0 | 107.7 | | |
| 100 | H | 47.2 | Very low | 49.3 | Very low | 187 Ų | 187 | 144.1 Ų | 144.1 | 87% | 0.866 | 77% | 0.767 | S | S | * | * | | | trans | 87.8 | 132.7 | -173 | -65.2 | -101.2 | 0 | 0 | 0 | 113.4 | | |
| 101 | A | 46.9 | Very low | 48.9 | Very low | 90 Ų | 90 | 140.6 Ų | 140.6 | 74% | 0.744 | 77% | 0.771 | S | S | * | * | | | cis | -153.6 | 152.3 | 18 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 102 | N | 41.9 | Very low | 47.8 | Very low | 142 Ų | 142 | 146.3 Ų | 146.3 | 76% | 0.759 | 78% | 0.779 | S | S | * | * | | | trans | -71.8 | 143.8 | 167.1 | 178.8 | 14.2 | 0 | 0 | 0 | 111 | S104 | N102-S104 PolarHBondContact OD1-N 3.22Š|
| 103 | P | 58.3 | Low | 47.9 | Very low | 116 Ų | 116 | 143.4 Ų | 143.4 | 75% | 0.753 | 78% | 0.78 | S | S | * | * | | | trans | -116.2 | 113.9 | 146.2 | 30.2 | -15.8 | 0 | 0 | 0 | 111.4 | | |
| 104 | S | 44.5 | Very low | 47.4 | Very low | 101 Ų | 101 | 137.9 Ų | 137.9 | 71% | 0.706 | 78% | 0.779 | S | S | * | * | | | trans | -4.5 | 144.8 | 151.4 | -45.7 | 0 | 0 | 0 | 0 | 120.6 | N102 | N102-S104 PolarHBondContact OD1-N 3.22Š|
| 105 | A | 48.5 | Very low | 47.3 | Very low | 88 Ų | 88 | 135.9 Ų | 135.9 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | | | trans | 78.7 | 104.9 | 141.3 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 106 | Q | 53 | Low | 47.2 | Very low | 179 Ų | 179 | 133.5 Ų | 133.5 | 84% | 0.836 | 79% | 0.788 | S | S | * | * | | | | -177.6 | 124.4 | 106.7 | -97.9 | 168.4 | 2.7 | 0 | 0 | 112 | | |
| 107 | T | 50.4 | Low | 46.5 | Very low | 128 Ų | 128 | 131.2 Ų | 131.2 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | | | trans | 67.8 | 92.4 | 144.6 | 66.9 | 0 | 0 | 0 | 0 | 120.5 | | |
| 108 | D | 43.5 | Very low | 46.4 | Very low | 155 Ų | 155 | 131 Ų | 131 | 83% | 0.829 | 79% | 0.792 | S | S | * | * | | | | -11.6 | 175.7 | 127.2 | -83.4 | -46.9 | 0 | 0 | 0 | 119.6 | | |
| 109 | P | 46.5 | Very low | 45.7 | Very low | 94 Ų | 94 | 133.7 Ų | 133.7 | 61% | 0.61 | 79% | 0.792 | S | S | * | * | | | cis | -140 | 156.8 | -25 | 32.5 | -14.5 | 0 | 0 | 0 | 112.9 | | |
| 110 | Y | 42.2 | Very low | 46 | Very low | 221 Ų | 221 | 132.1 Ų | 132.1 | 87% | 0.867 | 79% | 0.791 | S | S | * | * | | | trans | -166.4 | 83.1 | 142.1 | -103.9 | -71.3 | 0 | 0 | 0 | 109.8 | | |
| 111 | C | 44.8 | Very low | 45.9 | Very low | 133 Ų | 133 | 128.3 Ų | 128.3 | 90% | 0.899 | 78% | 0.777 | S | S | * | * | | | trans | -73.7 | 115 | 148.1 | -99.5 | 0 | 0 | 0 | 0 | 108 | | |
| 112 | R | 43.1 | Very low | 45.8 | Very low | 223 Ų | 223 | 133.6 Ų | 133.6 | 84% | 0.842 | 78% | 0.779 | S | S | * | * | | | trans | -141.1 | 99.2 | 148.8 | -111.8 | -171.8 | -178.6 | -170.4 | 1.3 | 105.3 | | |
| 113 | S | 43 | Very low | 45.8 | Very low | 112 Ų | 112 | 134.3 Ų | 134.3 | 78% | 0.783 | 78% | 0.778 | S | S | * | * | | | | 76.2 | 128 | 85.5 | -168.7 | 0 | 0 | 0 | 0 | 111.6 | | |
| 114 | A | 39.4 | Very low | 45.1 | Very low | 98 Ų | 98 | 134.4 Ų | 134.4 | 81% | 0.81 | 78% | 0.776 | S | S | * | * | | | trans | -37.3 | 138.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 115 | A | 46.4 | Very low | 45.2 | Very low | 101 Ų | 101 | 134.8 Ų | 134.8 | 84% | 0.835 | 78% | 0.779 | S | S | * | * | | | trans | -141.8 | 102.4 | 148.8 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 116 | A | 44.6 | Very low | 45 | Very low | 103 Ų | 103 | 135.8 Ų | 135.8 | 85% | 0.851 | 78% | 0.781 | S | S | * | * | | | trans | -65.2 | 142.5 | 155.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 117 | G | 41.8 | Very low | 44.8 | Very low | 67 Ų | 67 | 133.7 Ų | 133.7 | 69% | 0.691 | 78% | 0.781 | S | S | * | * | | | trans | 95.9 | 103.3 | 161.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 118 | A | 43.7 | Very low | 44.7 | Very low | 95 Ų | 95 | 132.9 Ų | 132.9 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | | | trans | -168.3 | 83.2 | 146.5 | 0 | 0 | 0 | 0 | 0 | 106.9 | | |
| 119 | F | 45.6 | Very low | 44.8 | Very low | 184 Ų | 184 | 131.7 Ų | 131.7 | 81% | 0.807 | 78% | 0.781 | S | S | * | * | | | | 62.7 | 103.7 | 92.6 | -80.1 | -80.5 | 0 | 0 | 0 | 115.2 | | |
| 120 | L | 50.3 | Low | 45 | Very low | 158 Ų | 158 | 134 Ų | 134 | 83% | 0.827 | 79% | 0.793 | S | S | * | * | | | trans | 68.1 | 151 | 132.7 | -70.2 | 171.3 | 0 | 0 | 0 | 122.4 | | |
| 121 | N | 45.7 | Very low | 45.6 | Very low | 106 Ų | 106 | 132.6 Ų | 132.6 | 57% | 0.567 | 79% | 0.794 | S | S | * | * | | | trans | 92.1 | 117.2 | 163.6 | -124.9 | 28.6 | 0 | 0 | 0 | 114.6 | | |
| 122 | Y | 44.1 | Very low | 45.3 | Very low | 201 Ų | 201 | 135 Ų | 135 | 79% | 0.788 | 79% | 0.792 | S | S | * | * | | | cis | -146.6 | 123.5 | 34.5 | -73.3 | -103.4 | 0 | 0 | 0 | 108.5 | | |
| 123 | Q | 43.3 | Very low | 45.4 | Very low | 158 Ų | 158 | 131.2 Ų | 131.2 | 74% | 0.738 | 79% | 0.788 | S | S | * | * | | | | 64.2 | 107.6 | 75.7 | -151.5 | 172 | 72 | 0 | 0 | 116.1 | | |
| 124 | T | 43.4 | Very low | 45.6 | Very low | 117 Ų | 117 | 131.1 Ų | 131.1 | 72% | 0.718 | 78% | 0.783 | S | S | * | * | | | trans | 63.3 | 131.6 | 145.6 | 62.6 | 0 | 0 | 0 | 0 | 118.5 | | |
| 125 | S | 45.3 | Very low | 46.3 | Very low | 110 Ų | 110 | 135.2 Ų | 135.2 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | | | cis | -165.8 | 149.2 | 44.1 | -45.4 | 0 | 0 | 0 | 0 | 111.2 | | |
| 126 | S | 44.5 | Very low | 46.5 | Very low | 109 Ų | 109 | 137.4 Ų | 137.4 | 76% | 0.762 | 78% | 0.779 | S | S | * | * | | | trans | -52.4 | 139.8 | 170.5 | 50.4 | 0 | 0 | 0 | 0 | 116 | | |
| 127 | T | 48.7 | Very low | 47.2 | Very low | 135 Ų | 135 | 140 Ų | 140 | 83% | 0.828 | 78% | 0.777 | S | S | * | * | | | | -167.5 | 118.3 | 129.1 | 51.2 | 0 | 0 | 0 | 0 | 111.2 | | |
| 128 | S | 48.6 | Very low | 47.5 | Very low | 110 Ų | 110 | 145.6 Ų | 145.6 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | | | trans | 40.1 | 139.6 | 146.8 | -54.4 | 0 | 0 | 0 | 0 | 124 | | |
| 129 | P | 45.2 | Very low | 47.7 | Very low | 130 Ų | 130 | 143.7 Ų | 143.7 | 84% | 0.844 | 78% | 0.775 | S | S | * | * | | | trans | -84.1 | 132.9 | -173.5 | 35.1 | -31.8 | 0 | 0 | 0 | 111.8 | | |
| 130 | V | 52.2 | Low | 47.7 | Very low | 143 Ų | 143 | 139.3 Ų | 139.3 | 87% | 0.867 | 78% | 0.781 | S | S | * | * | | | trans | -123.5 | 147.6 | 168.6 | -71.4 | 0 | 0 | 0 | 0 | 110.2 | | |
| 131 | E | 53.6 | Low | 47.8 | Very low | 192 Ų | 192 | 139.3 Ų | 139.3 | 90% | 0.897 | 78% | 0.777 | S | S | * | * | | | trans | -71.5 | 154 | -146.5 | -57.7 | -167.2 | 138.8 | 0 | 0 | 116.9 | N133 | E131-N133 PolarHBondContact O-N 3.12Š|
| 132 | E | 38.9 | Very low | 48.3 | Very low | 183 Ų | 183 | 138.6 Ų | 138.6 | 86% | 0.855 | 78% | 0.776 | S | S | * | * | | | trans | -45.9 | 94 | 171.2 | -173.2 | 176 | -178.4 | 0 | 0 | 113.2 | | |
| 133 | N | 44.6 | Very low | 49 | Very low | 143 Ų | 143 | 138.4 Ų | 138.4 | 77% | 0.765 | 77% | 0.774 | S | S | * | * | | | trans | -104.7 | 100.7 | 162.2 | -163 | -32.4 | 0 | 0 | 0 | 109.3 | E131 K135 | E131-N133 PolarHBondContact O-N 3.12Å; N133-K135 VanDerWaalsContact C-N 3.28Å; N133-K135 PolarHBondContact O-N 2.86Å |
| 134 | T | 48.8 | Very low | 49.9 | Very low | 110 Ų | 110 | 137.1 Ų | 137.1 | 68% | 0.675 | 77% | 0.772 | S | S | * | * | | | trans | -68.1 | 85.8 | 175.4 | -54.2 | 0 | 0 | 0 | 0 | 109.1 | I136 | T134-I136 PolarHBondContact O-N 3.37Š|
| 135 | K | 52.6 | Low | 50.6 | Low | 184 Ų | 184 | 137.2 Ų | 137.2 | 80% | 0.8 | 77% | 0.768 | S | S | * | * | | | trans | -78.3 | 109.1 | 173.5 | -148.1 | -179.8 | -166.7 | -163.6 | 0 | 109.6 | N133 I137 | N133-K135 VanDerWaalsContact C-N 3.28Å; N133-K135 PolarHBondContact O-N 2.86Å; K135-I137 PolarHBondContact O-N 3.08Å |
| 136 | I | 50.5 | Low | 51.4 | Low | 147 Ų | 147 | 136 Ų | 136 | 75% | 0.754 | 77% | 0.772 | S | S | * | * | | | trans | -49.7 | 115.4 | 169.8 | -63.1 | 161.5 | 0 | 0 | 0 | 108.9 | T134 E138 | T134-I136 PolarHBondContact O-N 3.37Å; I136-E138 VanDerWaalsContact C-N 3.33Å; I136-E138 HydrophobicContact CG2-CB 4.48Å; I136-E138 PolarHBondContact O-N 2.86Å; I136-E138 VanDerWaalsContact O-N 3.14Å |
| 137 | I | 59.9 | Low | 52.5 | Low | 157 Ų | 157 | 139.2 Ų | 139.2 | 81% | 0.805 | 77% | 0.773 | S | S | * | * | | | trans | -81.7 | 87 | 169.4 | -58.9 | 173.5 | 0 | 0 | 0 | 107.1 | K135 | K135-I137 PolarHBondContact O-N 3.08Š|
| 138 | E | 48.5 | Very low | 53.4 | Low | 186 Ų | 186 | 136.5 Ų | 136.5 | 87% | 0.869 | 77% | 0.771 | S | S | * | * | | | trans | -84 | 96.8 | 161.2 | -169.5 | 167.7 | -154.2 | 0 | 0 | 107 | I136 | I136-E138 VanDerWaalsContact C-N 3.33Å; I136-E138 HydrophobicContact CG2-CB 4.48Å; I136-E138 PolarHBondContact O-N 2.86Å; I136-E138 VanDerWaalsContact O-N 3.14Å |
| 139 | G | 48.3 | Very low | 54.8 | Low | 55 Ų | 55 | 139 Ų | 139 | 57% | 0.567 | 77% | 0.768 | S | S | * | * | S | Bend | trans | 163.4 | 95 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | E141 | G139-E141 PolarHBondContact O-N 2.9Å; G139-E141 VanDerWaalsContact O-N 3.08Å |
| 140 | G | 44.3 | Very low | 56.4 | Low | 91 Ų | 91 | 142 Ų | 142 | 94% | 0.938 | 77% | 0.768 | S | S | * | * | | | trans | -66.7 | 103.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 141 | E | 52.6 | Low | 57.9 | Low | 158 Ų | 158 | 138.4 Ų | 138.4 | 74% | 0.738 | 74% | 0.743 | S | S | * | * | | | trans | -127 | 118.1 | 155.6 | -157.3 | -160.8 | 138.6 | 0 | 0 | 108.8 | G139 R143 | G139-E141 PolarHBondContact O-N 2.9Å; G139-E141 VanDerWaalsContact O-N 3.08Å; E141-R143 VanDerWaalsContact C-N 3.29Å; E141-R143 PolarHBondContact O-N 3.5Å |
| 142 | V | 56.8 | Low | 59.4 | Low | 91 Ų | 91 | 139 Ų | 139 | 55% | 0.552 | 74% | 0.738 | S | S | * | * | | | trans | -68.8 | 91.1 | 174.3 | -176.9 | 0 | 0 | 0 | 0 | 106.9 | L144 | V142-L144 HydrophobicContact CG1-CD2 3.86Å; V142-L144 PolarHBondContact O-N 3.4Å; V142-L144 VanDerWaalsContact O-N 3.13Å |
| 143 | R | 58.8 | Low | 61.9 | Low | 197 Ų | 197 | 139.5 Ų | 139.5 | 74% | 0.743 | 74% | 0.737 | S | S | * | * | | | trans | -56.8 | 123.3 | 166.9 | -60.7 | -179.2 | 88.6 | 94.7 | -4.5 | 106.5 | E141 I151 | E141-R143 VanDerWaalsContact C-N 3.29Å; E141-R143 PolarHBondContact O-N 3.5Å; R143-I151 HydrophobicContact CB-CD1 4.34Å; R143-I151 VanDerWaalsContact O-CB 3.31Å; R143-I151 WeakPolarHBondContact O-CB 3.3Å; R143-I151 WeakPolarHBondContact O-CD1 3.48Å; R143-I151 WeakPolarHBondContact O-CG1 3.39Å |
| 144 | L | 61 | Low | 64.2 | Low | 131 Ų | 131 | 138.5 Ų | 138.5 | 69% | 0.686 | 74% | 0.738 | S | S | * | * | | | trans | -90.1 | 114.5 | 177.2 | -52.8 | 175.4 | 0 | 0 | 0 | 106.2 | V142 | V142-L144 HydrophobicContact CG1-CD2 3.86Å; V142-L144 PolarHBondContact O-N 3.4Å; V142-L144 VanDerWaalsContact O-N 3.13Å |
| 145 | N | 58.5 | Low | 66.3 | Low | 120 Ų | 120 | 143.7 Ų | 143.7 | 64% | 0.642 | 75% | 0.745 | S | S | * | * | B | Isolated β-bridge | trans | -67.8 | 139.7 | 164.8 | -117.5 | 88.1 | 0 | 0 | 0 | 105.4 | K147 G148 I151 | N145-K147 PolarHBondContact O-N 3.45Å; N145-G148 PolarHBondContact O-N 3.31Å; N145-I151 HydrophobicContact CB-CD1 3.75Å; N145-I151 HydrophobicContact CB-CG1 4.08Å; N145-I151 WeakPolarHBondContact OD1-CD1 3.43Å |
| 146 | G | 63 | Low | 68.3 | Low | 83 Ų | 83 | 140.3 Ų | 140.3 | 86% | 0.856 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.5 | 32.2 | -171.2 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 147 | K | 68.3 | Low | 70.5 | Confident | 178 Ų | 178 | 140.6 Ų | 140.6 | 77% | 0.774 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.5 | 21.6 | 175.7 | -69.9 | 177.7 | 171.5 | 175.4 | 0 | 112.5 | N145 K149 | N145-K147 PolarHBondContact O-N 3.45Å; K147-K149 PolarHBondContact O-N 3.23Å |
| 148 | G | 66.7 | Low | 72.4 | Confident | 78 Ų | 78 | 135.6 Ų | 135.6 | 80% | 0.804 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 63.4 | 9.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | N145 | N145-G148 PolarHBondContact O-N 3.31Š|
| 149 | K | 78.2 | Confident | 74.7 | Confident | 162 Ų | 162 | 129.5 Ų | 129.5 | 70% | 0.704 | 69% | 0.691 | S | S | * | * | B | Isolated β-bridge | trans | -92.5 | 124.3 | 179.6 | -67.1 | 177 | -175 | -174 | 0 | 108.9 | K147 I151 | K147-K149 PolarHBondContact O-N 3.23Å; K149-I151 PolarHBondContact O-N 2.91Å |
| 150 | K | 78.4 | Confident | 77.1 | Confident | 193 Ų | 193 | 130.9 Ų | 130.9 | 84% | 0.839 | 69% | 0.692 | S | S | * | * | | | trans | -50.9 | 112.7 | 173.8 | -63.5 | -172.8 | 179.5 | -159.8 | 0 | 109.1 | R152 | K150-R152 PolarHBondContact O-N 3.23Š|
| 151 | I | 82.8 | Confident | 79.7 | Confident | 68 Ų | 68 | 132.6 Ų | 132.6 | 35% | 0.349 | 68% | 0.679 | S | S | . | * | P | Polyproline II helix | trans | -65.1 | 127.3 | 176.9 | -66.4 | -166.9 | 0 | 0 | 0 | 108.4 | R143 N145 K149 | R143-I151 HydrophobicContact CB-CD1 4.34Å; R143-I151 VanDerWaalsContact O-CB 3.31Å; R143-I151 WeakPolarHBondContact O-CB 3.3Å; R143-I151 WeakPolarHBondContact O-CD1 3.48Å; R143-I151 WeakPolarHBondContact O-CG1 3.39Å; N145-I151 HydrophobicContact CB-CD1 3.75Å; N145-I151 HydrophobicContact CB-CG1 4.08Å; N145-I151 WeakPolarHBondContact OD1-CD1 3.43Å; K149-I151 PolarHBondContact O-N 2.91Å |
| 152 | R | 86.8 | Confident | 81.9 | Confident | 205 Ų | 205 | 126.9 Ų | 126.9 | 77% | 0.774 | 65% | 0.652 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 143.7 | 171.5 | -63.1 | -179.5 | 74.6 | 165.7 | 6.1 | 108.7 | K150 | K150-R152 PolarHBondContact O-N 3.23Š|
| 153 | K | 90.2 | Very high | 83.9 | Confident | 192 Ų | 192 | 125.6 Ų | 125.6 | 84% | 0.835 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 136 | 174 | -70.4 | 86 | 171 | -172.1 | 0 | 109.8 | | |
| 154 | P | 93.6 | Very high | 85.8 | Confident | 123 Ų | 123 | 122 Ų | 122 | 80% | 0.799 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 144.3 | 176 | 24.9 | -33.3 | 0 | 0 | 0 | 110 | | |
| 155 | R | 93.1 | Very high | 87.6 | Confident | 218 Ų | 218 | 117.2 Ų | 117.2 | 82% | 0.823 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -82.6 | 131.5 | 177.4 | -68.2 | -172.6 | -177.5 | 125.9 | -3.6 | 109.7 | | |
| 156 | T | 94.7 | Very high | 89.5 | Confident | 114 Ų | 114 | 111.5 Ų | 111.5 | 70% | 0.699 | 58% | 0.583 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 138.8 | 169.6 | -46.8 | 0 | 0 | 0 | 0 | 110.5 | | |
| 157 | I | 96.9 | Very high | 91.2 | Very high | 152 Ų | 152 | 109.8 Ų | 109.8 | 78% | 0.779 | 55% | 0.553 | S | S | * | * | | | trans | -115.5 | 136.5 | 173.5 | -54.7 | -167.3 | 0 | 0 | 0 | 108.5 | | |
| 158 | Y | 98.2 | Very high | 92.6 | Very high | 52 Ų | 52 | 107.2 Ų | 107.2 | 20% | 0.204 | 54% | 0.542 | C | S | . | . | | | trans | -78.3 | 145 | 175.8 | -57 | -49.3 | 0 | 0 | 0 | 111.1 | Q162 L163 L190 Q194 W198 | Y158-Q162 VanDerWaalsContact CA-OE1 3.3Å; Y158-L163 HydrophobicContact CD2-CD2 4.19Å; Y158-L190 HydrophobicContact CD1-CD1 4.22Å; Y158-L190 HydrophobicContact CD1-CD2 3.8Å; Y158-L190 HydrophobicContact CE1-CD1 4.17Å; Y158-L190 HydrophobicContact CE1-CD2 3.73Å; Y158-Q194 HydrophobicContact CE1-CB 4.46Å; Y158-Q194 HydrophobicContact CE1-CG 4.48Å; Y158-Q194 WeakPolarHBondContact OH-CB 3.45Å; Y158-W198 AromaticContact CD2-CD1 3.83Å; Y158-W198 HydrophobicContact CE2-CB 4.4Å; Y158-W198 AromaticContact CE2-CD1 3.66Å; Y158-W198 HydrophobicContact CE2-CG 4.39Å |
| 159 | S | 98.6 | Very high | 94.1 | Very high | 59 Ų | 59 | 107.3 Ų | 107.3 | 41% | 0.413 | 52% | 0.519 | S | S | . | . | | | trans | -67.5 | 161.7 | 177 | 77 | 0 | 0 | 0 | 0 | 112.1 | L161 Q162 L163 | S159-L161 VanDerWaalsContact C-N 3.3Å; S159-L161 PolarHBondContact O-N 3.02Å; S159-Q162 WeakPolarHBondContact O-CB 3.38Å; S159-Q162 PolarHBondContact O-N 3.34Å; S159-Q162 WeakPolarHBondContact OG-CG 3.37Å; S159-Q162 PolarHBondContact OG-N 3.23Å; S159-L163 WeakPolarHBondContact O-CG 3.47Å; S159-L163 PolarHBondContact O-N 3.45Å |
| 160 | S | 98.4 | Very high | 95.1 | Very high | 83 Ų | 83 | 99.9 Ų | 99.9 | 58% | 0.58 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -56.4 | -44.4 | 177.1 | -175.9 | 0 | 0 | 0 | 0 | 111.9 | Q162 L163 Q164 | S160-Q162 PolarHBondContact O-N 3.49Å; S160-L163 PolarHBondContact O-N 2.9Å; S160-Q164 VanDerWaalsContact O-CG 3.32Å; S160-Q164 WeakPolarHBondContact O-CG 3.48Å; S160-Q164 PolarHBondContact O-N 3.15Å; S160-Q164 PolarHBondContact OG-NE2 3.45Å |
| 161 | L | 98.4 | Very high | 96 | Very high | 128 Ų | 128 | 98.2 Ų | 98.2 | 67% | 0.67 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -58.9 | -46.2 | 177.3 | -179.4 | 66.5 | 0 | 0 | 0 | 111.8 | S159 L163 Q164 A165 | S159-L161 VanDerWaalsContact C-N 3.3Å; S159-L161 PolarHBondContact O-N 3.02Å; L161-L163 PolarHBondContact O-N 3.29Å; L161-Q164 PolarHBondContact O-N 3.24Å; L161-A165 PolarHBondContact O-N 3.34Å |
| 162 | Q | 98.7 | Very high | 96.8 | Very high | 37 Ų | 37 | 102.5 Ų | 102.5 | 17% | 0.173 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -59.7 | -46.9 | 176.8 | -72 | 172 | -23.1 | 0 | 0 | 111.2 | Y158 S159 S160 Q164 A165 L166 L188 | Y158-Q162 VanDerWaalsContact CA-OE1 3.3Å; S159-Q162 WeakPolarHBondContact O-CB 3.38Å; S159-Q162 PolarHBondContact O-N 3.34Å; S159-Q162 WeakPolarHBondContact OG-CG 3.37Å; S159-Q162 PolarHBondContact OG-N 3.23Å; S160-Q162 PolarHBondContact O-N 3.49Å; Q162-Q164 PolarHBondContact O-N 3.04Å; Q162-A165 PolarHBondContact O-N 2.96Å; Q162-L166 WeakPolarHBondContact O-CB 3.45Å; Q162-L166 WeakPolarHBondContact O-CD1 3.25Å; Q162-L166 WeakPolarHBondContact O-CG 3.37Å; Q162-L166 PolarHBondContact O-N 3.29Å; Q162-L188 HydrophobicContact CG-CB 4.4Å; Q162-L188 PolarHBondContact NE2-O 3.28Å |
| 163 | L | 98.7 | Very high | 97.3 | Very high | 65 Ų | 65 | 94.6 Ų | 94.6 | 34% | 0.34 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -62.4 | -41.3 | 178.7 | -67.4 | 175 | 0 | 0 | 0 | 112.2 | Y158 S159 S160 L161 N167 | Y158-L163 HydrophobicContact CD2-CD2 4.19Å; S159-L163 WeakPolarHBondContact O-CG 3.47Å; S159-L163 PolarHBondContact O-N 3.45Å; S160-L163 PolarHBondContact O-N 2.9Å; L161-L163 PolarHBondContact O-N 3.29Å; L163-N167 WeakPolarHBondContact O-CB 3.32Å; L163-N167 PolarHBondContact O-N 2.89Å; L163-N167 PolarHBondContact O-ND2 2.87Å |
| 164 | Q | 98.5 | Very high | 97.7 | Very high | 122 Ų | 122 | 88.5 Ų | 88.5 | 57% | 0.57 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -62.3 | -48.1 | 178 | -72.5 | 176.8 | 32.8 | 0 | 0 | 111.5 | S160 L161 Q162 N167 K168 | S160-Q164 VanDerWaalsContact O-CG 3.32Å; S160-Q164 WeakPolarHBondContact O-CG 3.48Å; S160-Q164 PolarHBondContact O-N 3.15Å; S160-Q164 PolarHBondContact OG-NE2 3.45Å; L161-Q164 PolarHBondContact O-N 3.24Å; Q162-Q164 PolarHBondContact O-N 3.04Å; Q164-N167 PolarHBondContact O-N 3.29Å; Q164-K168 VanDerWaalsContact O-CB 3.31Å; Q164-K168 WeakPolarHBondContact O-CB 3.36Å; Q164-K168 PolarHBondContact O-N 3Å |
| 165 | A | 98.5 | Very high | 97.9 | Very high | 30 Ų | 30 | 90.1 Ų | 90.1 | 25% | 0.248 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -63.3 | -44.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L161 Q162 N167 K168 R169 L188 | L161-A165 PolarHBondContact O-N 3.34Å; Q162-A165 PolarHBondContact O-N 2.96Å; A165-N167 PolarHBondContact O-N 3.48Å; A165-K168 PolarHBondContact O-N 3.45Å; A165-R169 PolarHBondContact O-N 3.22Å; A165-L188 HydrophobicContact CB-CD1 4.13Å; A165-L188 HydrophobicContact CB-CD2 3.58Å; A165-L188 HydrophobicContact CB-CG 4.44Å |
| 166 | L | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 80.6 Ų | 80.6 | 0% | 0 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -58.8 | -45.3 | 175.2 | -72.9 | 166.2 | 0 | 0 | 0 | 111.5 | Q162 R169 F170 L184 L188 L190 V195 W198 F199 | Q162-L166 WeakPolarHBondContact O-CB 3.45Å; Q162-L166 WeakPolarHBondContact O-CD1 3.25Å; Q162-L166 WeakPolarHBondContact O-CG 3.37Å; Q162-L166 PolarHBondContact O-N 3.29Å; L166-R169 PolarHBondContact O-N 3.48Å; L166-F170 WeakPolarHBondContact O-CB 3.47Å; L166-F170 PolarHBondContact O-N 2.9Å; L166-L184 HydrophobicContact CD2-CD2 4.02Å; L166-L188 HydrophobicContact CD2-CD1 3.91Å; L166-L188 HydrophobicContact CG-CD1 3.75Å; L166-L190 HydrophobicContact CD1-CD1 4.23Å; L166-V195 HydrophobicContact CD2-CG1 4.38Å; L166-W198 VanDerWaalsContact C-CH2 3.48Å; L166-W198 HydrophobicContact CB-CD2 3.97Å; L166-W198 HydrophobicContact CB-CE3 3.96Å; L166-W198 HydrophobicContact CB-CH2 3.64Å; L166-W198 HydrophobicContact CB-CZ2 3.59Å; L166-W198 HydrophobicContact CB-CZ3 3.81Å; L166-W198 HydrophobicContact CD1-CD2 3.9Å; L166-W198 HydrophobicContact CD1-CG 3.91Å; L166-W198 HydrophobicContact CD2-CD2 4.24Å; L166-W198 HydrophobicContact CD2-CE3 4.13Å; L166-W198 HydrophobicContact CG-CD2 4.27Å; L166-W198 HydrophobicContact CG-CE3 4.44Å; L166-F199 HydrophobicContact CD2-CE2 4.18Å |
| 167 | N | 98.5 | Very high | 98.3 | Very high | 46 Ų | 46 | 77.6 Ų | 77.6 | 25% | 0.246 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -64.9 | -43.2 | 175.9 | -76.9 | -58.2 | 0 | 0 | 0 | 112.1 | L163 Q164 A165 R169 F170 Q171 | L163-N167 WeakPolarHBondContact O-CB 3.32Å; L163-N167 PolarHBondContact O-N 2.89Å; L163-N167 PolarHBondContact O-ND2 2.87Å; Q164-N167 PolarHBondContact O-N 3.29Å; A165-N167 PolarHBondContact O-N 3.48Å; N167-R169 VanDerWaalsContact C-N 3.3Å; N167-R169 PolarHBondContact O-N 3.44Å; N167-F170 WeakPolarHBondContact O-CB 3.31Å; N167-F170 PolarHBondContact O-N 2.83Å; N167-Q171 WeakPolarHBondContact O-CG 3.34Å; N167-Q171 PolarHBondContact O-N 3.38Å |
| 168 | K | 98.5 | Very high | 98.4 | Very high | 124 Ų | 124 | 75.7 Ų | 75.7 | 54% | 0.539 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -60 | -38.5 | 177.6 | 177.4 | 176 | -179.3 | -176.9 | 0 | 111.9 | Q164 A165 R172 | Q164-K168 VanDerWaalsContact O-CB 3.31Å; Q164-K168 WeakPolarHBondContact O-CB 3.36Å; Q164-K168 PolarHBondContact O-N 3Å; A165-K168 PolarHBondContact O-N 3.45Å; K168-R172 PolarHBondContact O-NH1 3.43Å |
| 169 | R | 98.4 | Very high | 98.4 | Very high | 81 Ų | 81 | 77.1 Ų | 77.1 | 31% | 0.306 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -72.9 | -41.4 | 173.5 | -168.7 | 68.4 | -177.4 | -173.2 | 4.2 | 111.7 | A165 L166 N167 Q171 R172 T173 L176 E180 L184 F199 | A165-R169 PolarHBondContact O-N 3.22Å; L166-R169 PolarHBondContact O-N 3.48Å; N167-R169 VanDerWaalsContact C-N 3.3Å; N167-R169 PolarHBondContact O-N 3.44Å; R169-Q171 VanDerWaalsContact C-N 3.26Å; R169-Q171 PolarHBondContact O-N 2.8Å; R169-R172 WeakPolarHBondContact O-CB 3.45Å; R169-R172 PolarHBondContact O-N 3.3Å; R169-T173 HydrophobicContact CG-CG2 4.45Å; R169-T173 PolarHBondContact O-N 3Å; R169-L176 HydrophobicContact CG-CD2 3.84Å; R169-E180 IonicContact CZ-OE1 3.93Å; R169-E180 IonicContact NH2-OE1 2.73Å; R169-E180 PolarHBondContact NH2-OE1 3.46Å; R169-L184 HydrophobicContact CB-CD2 4.1Å; R169-L184 HydrophobicContact CG-CD2 4.07Å; R169-F199 HydrophobicContact CB-CZ 4.33Å; R169-F199 HydrophobicContact CG-CZ 4.25Å |
| 170 | F | 98.7 | Very high | 98.4 | Very high | 6 Ų | 6 | 76.9 Ų | 76.9 | 3% | 0.026 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -58.3 | -35.9 | 178.4 | -174.1 | -95.3 | 0 | 0 | 0 | 113.6 | L166 N167 R172 T173 Q174 W198 F199 R202 R203 Y206 | L166-F170 WeakPolarHBondContact O-CB 3.47Å; L166-F170 PolarHBondContact O-N 2.9Å; N167-F170 WeakPolarHBondContact O-CB 3.31Å; N167-F170 PolarHBondContact O-N 2.83Å; F170-R172 VanDerWaalsContact C-N 3.28Å; F170-R172 PolarHBondContact O-N 3.26Å; F170-T173 CarbonylContact C-O 3.54Å; F170-T173 VanDerWaalsContact CA-O 3.31Å; F170-T173 WeakPolarHBondContact CA-O 3.35Å; F170-T173 CarbonylContact O-C 3.4Å; F170-Q174 HydrophobicContact CE1-CG 4.17Å; F170-Q174 HydrophobicContact CE2-CB 3.99Å; F170-Q174 HydrophobicContact CE2-CG 4.1Å; F170-Q174 HydrophobicContact CZ-CB 4.16Å; F170-Q174 HydrophobicContact CZ-CG 3.84Å; F170-W198 HydrophobicContact CB-CH2 4.14Å; F170-W198 HydrophobicContact CB-CZ3 4.01Å; F170-W198 HydrophobicContact CD2-CZ3 4.27Å; F170-W198 HydrophobicContact CG-CZ3 4.37Å; F170-F199 HydrophobicContact CB-CE1 4.28Å; F170-F199 HydrophobicContact CB-CZ 4.38Å; F170-F199 AromaticContact CD2-CD1 3.86Å; F170-F199 HydrophobicContact CD2-CD1 3.86Å; F170-F199 AromaticContact CD2-CE1 3.83Å; F170-F199 HydrophobicContact CD2-CE1 3.83Å; F170-F199 HydrophobicContact CE2-CD1 4.48Å; F170-R202 HydrophobicContact CD1-CG 3.74Å; F170-R202 HydrophobicContact CD2-CB 4.09Å; F170-R202 HydrophobicContact CD2-CG 3.47Å; F170-R202 VanDerWaalsContact CD2-CG 3.47Å; F170-R202 HydrophobicContact CE1-CG 3.74Å; F170-R202 HydrophobicContact CE2-CB 3.95Å; F170-R202 HydrophobicContact CE2-CG 3.46Å; F170-R202 VanDerWaalsContact CE2-CG 3.46Å; F170-R202 HydrophobicContact CG-CG 3.62Å; F170-R202 HydrophobicContact CZ-CB 4.4Å; F170-R202 HydrophobicContact CZ-CG 3.6Å; F170-R203 HydrophobicContact CE2-CG 3.8Å; F170-R203 HydrophobicContact CZ-CG 4.22Å; F170-Y206 HydrophobicContact CE1-CD2 4.34Å; F170-Y206 HydrophobicContact CE1-CG 4.31Å; F170-Y206 HydrophobicContact CZ-CG 4.34Å |
| 171 | Q | 98.2 | Very high | 98.4 | Very high | 158 Ų | 158 | 75.7 Ų | 75.7 | 74% | 0.738 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -65.2 | -30.8 | 175.1 | -72.8 | 171.4 | 2.2 | 0 | 0 | 112.8 | N167 R169 | N167-Q171 WeakPolarHBondContact O-CG 3.34Å; N167-Q171 PolarHBondContact O-N 3.38Å; R169-Q171 VanDerWaalsContact C-N 3.26Å; R169-Q171 PolarHBondContact O-N 2.8Å |
| 172 | R | 97.9 | Very high | 98.4 | Very high | 158 Ų | 158 | 71.3 Ų | 71.3 | 60% | 0.596 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -80.7 | -43.6 | 177 | -68.6 | 177.7 | 172 | 67.4 | 3.7 | 111.9 | K168 R169 F170 | K168-R172 PolarHBondContact O-NH1 3.43Å; R169-R172 WeakPolarHBondContact O-CB 3.45Å; R169-R172 PolarHBondContact O-N 3.3Å; F170-R172 VanDerWaalsContact C-N 3.28Å; F170-R172 PolarHBondContact O-N 3.26Å |
| 173 | T | 98 | Very high | 98.4 | Very high | 38 Ų | 38 | 76 Ų | 76 | 23% | 0.233 | 37% | 0.371 | C | S | . | . | | | trans | -146.9 | 132.7 | 178.6 | 172.8 | 0 | 0 | 0 | 0 | 110.1 | R169 F170 Y175 L176 F199 | R169-T173 HydrophobicContact CG-CG2 4.45Å; R169-T173 PolarHBondContact O-N 3Å; F170-T173 CarbonylContact C-O 3.54Å; F170-T173 VanDerWaalsContact CA-O 3.31Å; F170-T173 WeakPolarHBondContact CA-O 3.35Å; F170-T173 CarbonylContact O-C 3.4Å; T173-Y175 PolarHBondContact OG1-N 2.9Å; T173-Y175 PolarHBondContact OG1-O 3.41Å; T173-L176 HydrophobicContact CG2-CD2 3.61Å; T173-F199 WeakPolarHBondContact O-CE1 3.42Å |
| 174 | Q | 98.1 | Very high | 98.4 | Very high | 65 Ų | 65 | 73.8 Ų | 73.8 | 30% | 0.304 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -87.7 | -10.7 | 179.6 | -60.2 | -179.8 | -14.8 | 0 | 0 | 112.5 | F170 R203 | F170-Q174 HydrophobicContact CE1-CG 4.17Å; F170-Q174 HydrophobicContact CE2-CB 3.99Å; F170-Q174 HydrophobicContact CE2-CG 4.1Å; F170-Q174 HydrophobicContact CZ-CB 4.16Å; F170-Q174 HydrophobicContact CZ-CG 3.84Å; Q174-R203 WeakPolarHBondContact O-CD 3.31Å; Q174-R203 PolarHBondContact O-NH1 2.93Å |
| 175 | Y | 98.6 | Very high | 98.5 | Very high | 156 Ų | 156 | 68.1 Ų | 68.1 | 61% | 0.612 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -133.9 | 113.3 | -178.3 | -63.7 | -89.5 | 0 | 0 | 0 | 109.2 | T173 R203 | T173-Y175 PolarHBondContact OG1-N 2.9Å; T173-Y175 PolarHBondContact OG1-O 3.41Å; Y175-R203 VanDerWaalsContact CE1-NE 3.35Å |
| 176 | L | 98.3 | Very high | 98.5 | Very high | 19 Ų | 19 | 70.6 Ų | 70.6 | 10% | 0.099 | 35% | 0.354 | C | S | . | . | | | trans | -89.9 | 130.9 | 177.4 | -65.4 | 176.7 | 0 | 0 | 0 | 111.1 | R169 T173 E180 R181 L184 V195 F199 | R169-L176 HydrophobicContact CG-CD2 3.84Å; T173-L176 HydrophobicContact CG2-CD2 3.61Å; L176-E180 HydrophobicContact CD2-CB 4.11Å; L176-R181 HydrophobicContact CB-CB 4.25Å; L176-L184 HydrophobicContact CD1-CD2 3.71Å; L176-V195 HydrophobicContact CD1-CG1 3.95Å; L176-F199 HydrophobicContact CD1-CD1 4.3Å; L176-F199 HydrophobicContact CD1-CD2 3.85Å; L176-F199 HydrophobicContact CD1-CE1 3.85Å; L176-F199 HydrophobicContact CD1-CE2 3.37Å; L176-F199 HydrophobicContact CD1-CG 4.31Å; L176-F199 HydrophobicContact CD1-CZ 3.37Å; L176-F199 HydrophobicContact CD2-CE1 4.29Å; L176-F199 HydrophobicContact CD2-CZ 4.19Å; L176-F199 HydrophobicContact CG-CD1 4.13Å; L176-F199 HydrophobicContact CG-CE1 3.66Å; L176-F199 HydrophobicContact CG-CE2 4.15Å; L176-F199 HydrophobicContact CG-CZ 3.68Å |
| 177 | A | 98.2 | Very high | 98.4 | Very high | 51 Ų | 51 | 74.7 Ų | 74.7 | 42% | 0.421 | 38% | 0.383 | S | S | . | . | | | trans | -65.8 | 167.2 | 164.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | P179 E180 R181 | A177-P179 HydrophobicContact CB-CG 4.45Å; A177-E180 HydrophobicContact CB-CG 4.29Å; A177-E180 PolarHBondContact N-OE2 2.9Å; A177-R181 VanDerWaalsContact O-CB 3.32Å; A177-R181 WeakPolarHBondContact O-CB 3.36Å; A177-R181 PolarHBondContact O-N 3.44Å |
| 178 | L | 98.4 | Very high | 98.4 | Very high | 111 Ų | 111 | 73.7 Ų | 73.7 | 58% | 0.581 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -57.8 | -49.8 | 180 | -172.1 | 60.8 | 0 | 0 | 0 | 113.8 | R181 A182 | L178-R181 PolarHBondContact O-N 2.92Å; L178-A182 PolarHBondContact O-N 3.46Å; L178-A182 VanDerWaalsContact O-N 3.08Å |
| 179 | P | 98.4 | Very high | 98.4 | Very high | 83 Ų | 83 | 71.1 Ų | 71.1 | 54% | 0.539 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -62.9 | -46.6 | -179.6 | 22.8 | -33.1 | 0 | 0 | 0 | 112.2 | A177 R181 A182 E183 | A177-P179 HydrophobicContact CB-CG 4.45Å; P179-R181 VanDerWaalsContact C-N 3.26Å; P179-R181 PolarHBondContact O-N 3.29Å; P179-A182 WeakPolarHBondContact O-CB 3.23Å; P179-A182 PolarHBondContact O-N 2.94Å; P179-E183 WeakPolarHBondContact O-CG 3.37Å; P179-E183 PolarHBondContact O-N 3.43Å |
| 180 | E | 98.6 | Very high | 98.4 | Very high | 54 Ų | 54 | 68.1 Ų | 68.1 | 25% | 0.252 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61 | -36.1 | 179.1 | -52.7 | 179.3 | 114.1 | 0 | 0 | 112.5 | R169 L176 A177 L184 | R169-E180 IonicContact CZ-OE1 3.93Å; R169-E180 IonicContact NH2-OE1 2.73Å; R169-E180 PolarHBondContact NH2-OE1 3.46Å; L176-E180 HydrophobicContact CD2-CB 4.11Å; A177-E180 HydrophobicContact CB-CG 4.29Å; A177-E180 PolarHBondContact N-OE2 2.9Å; E180-L184 WeakPolarHBondContact O-CB 3.43Å; E180-L184 PolarHBondContact O-N 2.82Å |
| 181 | R | 98.8 | Very high | 98.4 | Very high | 58 Ų | 58 | 71.6 Ų | 71.6 | 22% | 0.219 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -66.1 | -42.3 | 175.3 | -176.6 | -167.5 | -57.9 | 162.3 | 8.1 | 111.1 | L176 A177 L178 P179 A185 Q192 V195 | L176-R181 HydrophobicContact CB-CB 4.25Å; A177-R181 VanDerWaalsContact O-CB 3.32Å; A177-R181 WeakPolarHBondContact O-CB 3.36Å; A177-R181 PolarHBondContact O-N 3.44Å; L178-R181 PolarHBondContact O-N 2.92Å; P179-R181 VanDerWaalsContact C-N 3.26Å; P179-R181 PolarHBondContact O-N 3.29Å; R181-A185 WeakPolarHBondContact O-CB 3.48Å; R181-A185 PolarHBondContact O-N 2.98Å; R181-Q192 WeakPolarHBondContact CD-O 3.4Å; R181-Q192 HydrophobicContact CG-CB 4.36Å; R181-V195 HydrophobicContact CG-CB 4.22Å; R181-V195 HydrophobicContact CG-CG1 4.03Å |
| 182 | A | 98.7 | Very high | 98.4 | Very high | 36 Ų | 36 | 68.3 Ų | 68.3 | 30% | 0.298 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -63.6 | -45.2 | 179 | 0 | 0 | 0 | 0 | 0 | 111.1 | L178 P179 A185 A186 | L178-A182 PolarHBondContact O-N 3.46Å; L178-A182 VanDerWaalsContact O-N 3.08Å; P179-A182 WeakPolarHBondContact O-CB 3.23Å; P179-A182 PolarHBondContact O-N 2.94Å; A182-A185 PolarHBondContact O-N 3.4Å; A182-A186 WeakPolarHBondContact O-CB 3.41Å; A182-A186 PolarHBondContact O-N 2.88Å |
| 183 | E | 98.7 | Very high | 98.5 | Very high | 135 Ų | 135 | 65 Ų | 65 | 63% | 0.631 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -60.9 | -45.9 | 176 | -69.2 | 170 | -161.4 | 0 | 0 | 112.5 | P179 A185 A186 S187 | P179-E183 WeakPolarHBondContact O-CG 3.37Å; P179-E183 PolarHBondContact O-N 3.43Å; E183-A185 VanDerWaalsContact C-N 3.34Å; E183-A185 PolarHBondContact O-N 2.96Å; E183-A186 PolarHBondContact O-N 3.28Å; E183-S187 PolarHBondContact O-N 2.99Å; E183-S187 PolarHBondContact O-OG 3.28Å |
| 184 | L | 98.6 | Very high | 98.5 | Very high | 19 Ų | 19 | 65.8 Ų | 65.8 | 10% | 0.099 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -66.5 | -37.4 | 178.1 | -173.8 | 62.8 | 0 | 0 | 0 | 112.2 | L166 R169 L176 E180 S187 L188 V195 F199 | L166-L184 HydrophobicContact CD2-CD2 4.02Å; R169-L184 HydrophobicContact CB-CD2 4.1Å; R169-L184 HydrophobicContact CG-CD2 4.07Å; L176-L184 HydrophobicContact CD1-CD2 3.71Å; E180-L184 WeakPolarHBondContact O-CB 3.43Å; E180-L184 PolarHBondContact O-N 2.82Å; L184-S187 WeakPolarHBondContact CA-OG 3.48Å; L184-S187 PolarHBondContact O-OG 3.39Å; L184-S187 VanDerWaalsContact O-OG 3.06Å; L184-L188 HydrophobicContact CD1-CD1 3.87Å; L184-L188 HydrophobicContact CD1-CG 4.28Å; L184-L188 HydrophobicContact CG-CD1 4.13Å; L184-L188 WeakPolarHBondContact O-CG 3.41Å; L184-L188 PolarHBondContact O-N 3.02Å; L184-V195 HydrophobicContact CD2-CG1 3.99Å; L184-F199 HydrophobicContact CD2-CE2 3.84Å; L184-F199 HydrophobicContact CD2-CZ 4.26Å |
| 185 | A | 98.8 | Very high | 98.5 | Very high | 3 Ų | 3 | 62.8 Ų | 62.8 | 3% | 0.025 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -64 | -48.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111 | R181 A182 E183 L188 G189 L190 Q192 V195 | R181-A185 WeakPolarHBondContact O-CB 3.48Å; R181-A185 PolarHBondContact O-N 2.98Å; A182-A185 PolarHBondContact O-N 3.4Å; E183-A185 VanDerWaalsContact C-N 3.34Å; E183-A185 PolarHBondContact O-N 2.96Å; A185-L188 PolarHBondContact O-N 3.34Å; A185-G189 PolarHBondContact O-N 3.03Å; A185-G189 VanDerWaalsContact O-N 3.16Å; A185-L190 CarbonylContact C-O 3.38Å; A185-L190 WeakPolarHBondContact CB-O 3.46Å; A185-L190 PolarHBondContact O-N 3.47Å; A185-L190 VanDerWaalsContact O-O 3.1Å; A185-Q192 HydrophobicContact CB-CG 4.08Å; A185-V195 HydrophobicContact CB-CG2 3.9Å |
| 186 | A | 98.6 | Very high | 98.5 | Very high | 81 Ų | 81 | 60.7 Ų | 60.7 | 67% | 0.669 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -60.1 | -47.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | A182 E183 L188 G189 | A182-A186 WeakPolarHBondContact O-CB 3.41Å; A182-A186 PolarHBondContact O-N 2.88Å; E183-A186 PolarHBondContact O-N 3.28Å; A186-L188 PolarHBondContact O-N 3.17Å; A186-G189 PolarHBondContact O-N 3.49Å |
| 187 | S | 98.4 | Very high | 98.5 | Very high | 87 Ų | 87 | 63.4 Ų | 63.4 | 61% | 0.608 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -64.4 | -23.8 | -179.2 | 54.7 | 0 | 0 | 0 | 0 | 114.5 | E183 L184 | E183-S187 PolarHBondContact O-N 2.99Å; E183-S187 PolarHBondContact O-OG 3.28Å; L184-S187 WeakPolarHBondContact CA-OG 3.48Å; L184-S187 PolarHBondContact O-OG 3.39Å; L184-S187 VanDerWaalsContact O-OG 3.06Å |
| 188 | L | 98.3 | Very high | 98.5 | Very high | 25 Ų | 25 | 62.4 Ų | 62.4 | 13% | 0.131 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -102.9 | -1.8 | -178.7 | -62.5 | -177.2 | 0 | 0 | 0 | 114.3 | Q162 A165 L166 L184 A185 A186 L190 | Q162-L188 HydrophobicContact CG-CB 4.4Å; Q162-L188 PolarHBondContact NE2-O 3.28Å; A165-L188 HydrophobicContact CB-CD1 4.13Å; A165-L188 HydrophobicContact CB-CD2 3.58Å; A165-L188 HydrophobicContact CB-CG 4.44Å; L166-L188 HydrophobicContact CD2-CD1 3.91Å; L166-L188 HydrophobicContact CG-CD1 3.75Å; L184-L188 HydrophobicContact CD1-CD1 3.87Å; L184-L188 HydrophobicContact CD1-CG 4.28Å; L184-L188 HydrophobicContact CG-CD1 4.13Å; L184-L188 WeakPolarHBondContact O-CG 3.41Å; L184-L188 PolarHBondContact O-N 3.02Å; A185-L188 PolarHBondContact O-N 3.34Å; A186-L188 PolarHBondContact O-N 3.17Å; L188-L190 VanDerWaalsContact C-N 3.26Å; L188-L190 HydrophobicContact CB-CD1 4.11Å; L188-L190 HydrophobicContact CB-CG 4Å; L188-L190 HydrophobicContact CD1-CD1 4.37Å; L188-L190 PolarHBondContact O-N 2.9Å |
| 189 | G | 98.3 | Very high | 98.6 | Very high | 69 Ų | 69 | 57.3 Ų | 57.3 | 71% | 0.711 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.4 | 32.6 | -172.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | A185 A186 | A185-G189 PolarHBondContact O-N 3.03Å; A185-G189 VanDerWaalsContact O-N 3.16Å; A186-G189 PolarHBondContact O-N 3.49Å |
| 190 | L | 98.4 | Very high | 98.6 | Very high | 19 Ų | 19 | 58.3 Ų | 58.3 | 10% | 0.099 | 33% | 0.331 | C | S | . | . | | | trans | -111.6 | 159.1 | 178.7 | -62.3 | -179.2 | 0 | 0 | 0 | 110.3 | Y158 L166 A185 L188 Q194 V195 | Y158-L190 HydrophobicContact CD1-CD1 4.22Å; Y158-L190 HydrophobicContact CD1-CD2 3.8Å; Y158-L190 HydrophobicContact CE1-CD1 4.17Å; Y158-L190 HydrophobicContact CE1-CD2 3.73Å; L166-L190 HydrophobicContact CD1-CD1 4.23Å; A185-L190 CarbonylContact C-O 3.38Å; A185-L190 WeakPolarHBondContact CB-O 3.46Å; A185-L190 PolarHBondContact O-N 3.47Å; A185-L190 VanDerWaalsContact O-O 3.1Å; L188-L190 VanDerWaalsContact C-N 3.26Å; L188-L190 HydrophobicContact CB-CD1 4.11Å; L188-L190 HydrophobicContact CB-CG 4Å; L188-L190 HydrophobicContact CD1-CD1 4.37Å; L188-L190 PolarHBondContact O-N 2.9Å; L190-Q194 HydrophobicContact CB-CB 4.4Å; L190-V195 HydrophobicContact CB-CG2 4.17Å; L190-V195 HydrophobicContact CD1-CG2 4.45Å |
| 191 | T | 98.5 | Very high | 98.6 | Very high | 78 Ų | 78 | 60.3 Ų | 60.3 | 48% | 0.479 | 34% | 0.343 | S | S | . | . | | | trans | -78.1 | 151.2 | 169.9 | 63.6 | 0 | 0 | 0 | 0 | 110.9 | T193 Q194 V195 | T191-T193 PolarHBondContact O-N 3.11Å; T191-T193 VanDerWaalsContact O-N 3.15Å; T191-Q194 WeakPolarHBondContact O-CB 3.32Å; T191-Q194 PolarHBondContact O-N 3.03Å; T191-Q194 WeakPolarHBondContact OG1-CB 3.45Å; T191-Q194 VanDerWaalsContact OG1-CG 3.23Å; T191-Q194 WeakPolarHBondContact OG1-CG 3.49Å; T191-Q194 PolarHBondContact OG1-N 3.14Å; T191-Q194 VanDerWaalsContact OG1-N 3.14Å; T191-Q194 PolarHBondContact OG1-OE1 2.93Å; T191-V195 PolarHBondContact O-N 3.44Å; T191-V195 VanDerWaalsContact O-N 3.11Å |
| 192 | Q | 98.7 | Very high | 98.5 | Very high | 89 Ų | 89 | 61.2 Ų | 61.2 | 42% | 0.416 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -54.4 | -35.4 | 173.5 | -66.8 | -177.6 | 56.5 | 0 | 0 | 111.9 | R181 A185 V195 K196 | R181-Q192 WeakPolarHBondContact CD-O 3.4Å; R181-Q192 HydrophobicContact CG-CB 4.36Å; A185-Q192 HydrophobicContact CB-CG 4.08Å; Q192-V195 PolarHBondContact O-N 2.98Å; Q192-K196 WeakPolarHBondContact O-CB 3.35Å; Q192-K196 PolarHBondContact O-N 2.92Å |
| 193 | T | 98.5 | Very high | 98.5 | Very high | 90 Ų | 90 | 62.4 Ų | 62.4 | 55% | 0.552 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -65.2 | -43.7 | 176.3 | -57.8 | 0 | 0 | 0 | 0 | 112.1 | T191 V195 K196 I197 | T191-T193 PolarHBondContact O-N 3.11Å; T191-T193 VanDerWaalsContact O-N 3.15Å; T193-V195 PolarHBondContact O-N 3.15Å; T193-K196 WeakPolarHBondContact O-CB 3.18Å; T193-K196 PolarHBondContact O-N 2.73Å; T193-I197 HydrophobicContact CG2-CD1 3.86Å; T193-I197 HydrophobicContact CG2-CG1 4.44Å; T193-I197 WeakPolarHBondContact O-CG1 2.91Å; T193-I197 PolarHBondContact O-N 3.08Å |
| 194 | Q | 98.4 | Very high | 98.5 | Very high | 54 Ų | 54 | 58.6 Ų | 58.6 | 25% | 0.252 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -60.1 | -45.5 | 175.4 | -80.6 | 166.7 | -38.7 | 0 | 0 | 111.6 | Y158 L190 T191 I197 W198 | Y158-Q194 HydrophobicContact CE1-CB 4.46Å; Y158-Q194 HydrophobicContact CE1-CG 4.48Å; Y158-Q194 WeakPolarHBondContact OH-CB 3.45Å; L190-Q194 HydrophobicContact CB-CB 4.4Å; T191-Q194 WeakPolarHBondContact O-CB 3.32Å; T191-Q194 PolarHBondContact O-N 3.03Å; T191-Q194 WeakPolarHBondContact OG1-CB 3.45Å; T191-Q194 VanDerWaalsContact OG1-CG 3.23Å; T191-Q194 WeakPolarHBondContact OG1-CG 3.49Å; T191-Q194 PolarHBondContact OG1-N 3.14Å; T191-Q194 VanDerWaalsContact OG1-N 3.14Å; T191-Q194 PolarHBondContact OG1-OE1 2.93Å; Q194-I197 PolarHBondContact O-N 3.26Å; Q194-W198 WeakPolarHBondContact O-CB 3Å; Q194-W198 PolarHBondContact O-N 2.89Å |
| 195 | V | 98.7 | Very high | 98.4 | Very high | 1 Ų | 1 | 64.3 Ų | 64.3 | 1% | 0.006 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -62.1 | -45.7 | 175.6 | 178.4 | 0 | 0 | 0 | 0 | 110.7 | L166 L176 R181 L184 A185 L190 T191 Q192 T193 I197 W198 F199 | L166-V195 HydrophobicContact CD2-CG1 4.38Å; L176-V195 HydrophobicContact CD1-CG1 3.95Å; R181-V195 HydrophobicContact CG-CB 4.22Å; R181-V195 HydrophobicContact CG-CG1 4.03Å; L184-V195 HydrophobicContact CD2-CG1 3.99Å; A185-V195 HydrophobicContact CB-CG2 3.9Å; L190-V195 HydrophobicContact CB-CG2 4.17Å; L190-V195 HydrophobicContact CD1-CG2 4.45Å; T191-V195 PolarHBondContact O-N 3.44Å; T191-V195 VanDerWaalsContact O-N 3.11Å; Q192-V195 PolarHBondContact O-N 2.98Å; T193-V195 PolarHBondContact O-N 3.15Å; V195-I197 PolarHBondContact O-N 3.32Å; V195-W198 PolarHBondContact O-N 3.08Å; V195-F199 HydrophobicContact CG1-CD2 3.84Å; V195-F199 HydrophobicContact CG1-CE2 4.01Å; V195-F199 WeakPolarHBondContact O-CD2 3.31Å; V195-F199 PolarHBondContact O-N 3.46Å |
| 196 | K | 98.6 | Very high | 98.3 | Very high | 112 Ų | 112 | 68.1 Ų | 68.1 | 49% | 0.487 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -56.2 | -49.6 | 176.8 | 179.6 | -174 | 176.2 | -176.1 | 0 | 111.8 | Q192 T193 F199 Q200 | Q192-K196 WeakPolarHBondContact O-CB 3.35Å; Q192-K196 PolarHBondContact O-N 2.92Å; T193-K196 WeakPolarHBondContact O-CB 3.18Å; T193-K196 PolarHBondContact O-N 2.73Å; K196-F199 PolarHBondContact O-N 3.04Å; K196-Q200 WeakPolarHBondContact O-CB 3.37Å; K196-Q200 PolarHBondContact O-N 3.42Å |
| 197 | I | 98.5 | Very high | 98.2 | Very high | 76 Ų | 76 | 71.7 Ų | 71.7 | 39% | 0.39 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -65 | -43.1 | 179.5 | -68.8 | 170 | 0 | 0 | 0 | 110.4 | T193 Q194 V195 F199 Q200 N201 | T193-I197 HydrophobicContact CG2-CD1 3.86Å; T193-I197 HydrophobicContact CG2-CG1 4.44Å; T193-I197 WeakPolarHBondContact O-CG1 2.91Å; T193-I197 PolarHBondContact O-N 3.08Å; Q194-I197 PolarHBondContact O-N 3.26Å; V195-I197 PolarHBondContact O-N 3.32Å; I197-F199 PolarHBondContact O-N 3Å; I197-Q200 PolarHBondContact O-N 2.64Å; I197-N201 WeakPolarHBondContact O-CB 3.38Å; I197-N201 VanDerWaalsContact O-CG 3.32Å; I197-N201 PolarHBondContact O-N 3.13Å; I197-N201 PolarHBondContact O-ND2 3.07Å |
| 198 | W | 98.7 | Very high | 98.1 | Very high | 30 Ų | 30 | 74.9 Ų | 74.9 | 11% | 0.114 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -59.7 | -47.1 | 177.4 | -173.8 | 98 | 0 | 0 | 0 | 111.3 | Y158 L166 F170 Q194 V195 Q200 N201 R202 | Y158-W198 AromaticContact CD2-CD1 3.83Å; Y158-W198 HydrophobicContact CE2-CB 4.4Å; Y158-W198 AromaticContact CE2-CD1 3.66Å; Y158-W198 HydrophobicContact CE2-CG 4.39Å; L166-W198 VanDerWaalsContact C-CH2 3.48Å; L166-W198 HydrophobicContact CB-CD2 3.97Å; L166-W198 HydrophobicContact CB-CE3 3.96Å; L166-W198 HydrophobicContact CB-CH2 3.64Å; L166-W198 HydrophobicContact CB-CZ2 3.59Å; L166-W198 HydrophobicContact CB-CZ3 3.81Å; L166-W198 HydrophobicContact CD1-CD2 3.9Å; L166-W198 HydrophobicContact CD1-CG 3.91Å; L166-W198 HydrophobicContact CD2-CD2 4.24Å; L166-W198 HydrophobicContact CD2-CE3 4.13Å; L166-W198 HydrophobicContact CG-CD2 4.27Å; L166-W198 HydrophobicContact CG-CE3 4.44Å; F170-W198 HydrophobicContact CB-CH2 4.14Å; F170-W198 HydrophobicContact CB-CZ3 4.01Å; F170-W198 HydrophobicContact CD2-CZ3 4.27Å; F170-W198 HydrophobicContact CG-CZ3 4.37Å; Q194-W198 WeakPolarHBondContact O-CB 3Å; Q194-W198 PolarHBondContact O-N 2.89Å; V195-W198 PolarHBondContact O-N 3.08Å; W198-Q200 VanDerWaalsContact C-N 3.34Å; W198-Q200 PolarHBondContact O-N 2.79Å; W198-N201 PolarHBondContact O-N 3.45Å; W198-R202 HydrophobicContact CD2-CB 4.49Å; W198-R202 HydrophobicContact CE3-CB 4.05Å; W198-R202 HydrophobicContact CH2-CB 4.08Å; W198-R202 HydrophobicContact CH2-CG 3.73Å; W198-R202 HydrophobicContact CZ2-CG 4.39Å; W198-R202 HydrophobicContact CZ3-CB 3.82Å; W198-R202 HydrophobicContact CZ3-CG 3.82Å; W198-R202 VanDerWaalsContact O-CB 3.25Å; W198-R202 WeakPolarHBondContact O-CB 3.19Å; W198-R202 PolarHBondContact O-N 2.85Å |
| 199 | F | 98.8 | Very high | 97.8 | Very high | 4 Ų | 4 | 77.7 Ų | 77.7 | 2% | 0.018 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -62.3 | -39.8 | 177.1 | -94.1 | -101.4 | 0 | 0 | 0 | 112.1 | L166 R169 F170 T173 L176 L184 V195 K196 I197 R202 R203 | L166-F199 HydrophobicContact CD2-CE2 4.18Å; R169-F199 HydrophobicContact CB-CZ 4.33Å; R169-F199 HydrophobicContact CG-CZ 4.25Å; F170-F199 HydrophobicContact CB-CE1 4.28Å; F170-F199 HydrophobicContact CB-CZ 4.38Å; F170-F199 AromaticContact CD2-CD1 3.86Å; F170-F199 HydrophobicContact CD2-CD1 3.86Å; F170-F199 AromaticContact CD2-CE1 3.83Å; F170-F199 HydrophobicContact CD2-CE1 3.83Å; F170-F199 HydrophobicContact CE2-CD1 4.48Å; T173-F199 WeakPolarHBondContact O-CE1 3.42Å; L176-F199 HydrophobicContact CD1-CD1 4.3Å; L176-F199 HydrophobicContact CD1-CD2 3.85Å; L176-F199 HydrophobicContact CD1-CE1 3.85Å; L176-F199 HydrophobicContact CD1-CE2 3.37Å; L176-F199 HydrophobicContact CD1-CG 4.31Å; L176-F199 HydrophobicContact CD1-CZ 3.37Å; L176-F199 HydrophobicContact CD2-CE1 4.29Å; L176-F199 HydrophobicContact CD2-CZ 4.19Å; L176-F199 HydrophobicContact CG-CD1 4.13Å; L176-F199 HydrophobicContact CG-CE1 3.66Å; L176-F199 HydrophobicContact CG-CE2 4.15Å; L176-F199 HydrophobicContact CG-CZ 3.68Å; L184-F199 HydrophobicContact CD2-CE2 3.84Å; L184-F199 HydrophobicContact CD2-CZ 4.26Å; V195-F199 HydrophobicContact CG1-CD2 3.84Å; V195-F199 HydrophobicContact CG1-CE2 4.01Å; V195-F199 WeakPolarHBondContact O-CD2 3.31Å; V195-F199 PolarHBondContact O-N 3.46Å; K196-F199 PolarHBondContact O-N 3.04Å; I197-F199 PolarHBondContact O-N 3Å; F199-R202 PolarHBondContact O-N 3.25Å; F199-R203 WeakPolarHBondContact O-CG 3.4Å; F199-R203 PolarHBondContact O-N 2.97Å |
| 200 | Q | 98.5 | Very high | 97.3 | Very high | 105 Ų | 105 | 78.1 Ų | 78.1 | 49% | 0.491 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -62.7 | -47.3 | 175.4 | -175.9 | 178.5 | 44.8 | 0 | 0 | 112.1 | K196 I197 W198 R202 R203 S204 | K196-Q200 WeakPolarHBondContact O-CB 3.37Å; K196-Q200 PolarHBondContact O-N 3.42Å; I197-Q200 PolarHBondContact O-N 2.64Å; W198-Q200 VanDerWaalsContact C-N 3.34Å; W198-Q200 PolarHBondContact O-N 2.79Å; Q200-R202 VanDerWaalsContact C-N 3.32Å; Q200-R202 PolarHBondContact O-N 3.32Å; Q200-R203 PolarHBondContact O-N 2.96Å; Q200-S204 PolarHBondContact O-N 2.95Å; Q200-S204 PolarHBondContact O-OG 3.06Å |
| 201 | N | 98.4 | Very high | 96.7 | Very high | 96 Ų | 96 | 85.8 Ų | 85.8 | 51% | 0.513 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -63.1 | -41 | 176.3 | -71.3 | -20.3 | 0 | 0 | 0 | 111.1 | I197 W198 S204 K205 | I197-N201 WeakPolarHBondContact O-CB 3.38Å; I197-N201 VanDerWaalsContact O-CG 3.32Å; I197-N201 PolarHBondContact O-N 3.13Å; I197-N201 PolarHBondContact O-ND2 3.07Å; W198-N201 PolarHBondContact O-N 3.45Å; N201-S204 WeakPolarHBondContact O-CB 3.35Å; N201-S204 PolarHBondContact O-N 2.97Å; N201-K205 PolarHBondContact O-N 3Å |
| 202 | R | 98.4 | Very high | 95.8 | Very high | 76 Ų | 76 | 87.6 Ų | 87.6 | 29% | 0.287 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -63.3 | -45.9 | 178.4 | -174.3 | 66 | -171.7 | 177.2 | 2.3 | 111.7 | F170 W198 F199 Q200 S204 K205 Y206 | F170-R202 HydrophobicContact CD1-CG 3.74Å; F170-R202 HydrophobicContact CD2-CB 4.09Å; F170-R202 HydrophobicContact CD2-CG 3.47Å; F170-R202 VanDerWaalsContact CD2-CG 3.47Å; F170-R202 HydrophobicContact CE1-CG 3.74Å; F170-R202 HydrophobicContact CE2-CB 3.95Å; F170-R202 HydrophobicContact CE2-CG 3.46Å; F170-R202 VanDerWaalsContact CE2-CG 3.46Å; F170-R202 HydrophobicContact CG-CG 3.62Å; F170-R202 HydrophobicContact CZ-CB 4.4Å; F170-R202 HydrophobicContact CZ-CG 3.6Å; W198-R202 HydrophobicContact CD2-CB 4.49Å; W198-R202 HydrophobicContact CE3-CB 4.05Å; W198-R202 HydrophobicContact CH2-CB 4.08Å; W198-R202 HydrophobicContact CH2-CG 3.73Å; W198-R202 HydrophobicContact CZ2-CG 4.39Å; W198-R202 HydrophobicContact CZ3-CB 3.82Å; W198-R202 HydrophobicContact CZ3-CG 3.82Å; W198-R202 VanDerWaalsContact O-CB 3.25Å; W198-R202 WeakPolarHBondContact O-CB 3.19Å; W198-R202 PolarHBondContact O-N 2.85Å; F199-R202 PolarHBondContact O-N 3.25Å; Q200-R202 VanDerWaalsContact C-N 3.32Å; Q200-R202 PolarHBondContact O-N 3.32Å; R202-S204 VanDerWaalsContact C-N 3.32Å; R202-S204 PolarHBondContact O-N 3.16Å; R202-K205 PolarHBondContact O-N 3.48Å; R202-Y206 WeakPolarHBondContact O-CB 3.33Å; R202-Y206 PolarHBondContact O-N 3.32Å |
| 203 | R | 98.5 | Very high | 94.2 | Very high | 61 Ų | 61 | 89.7 Ų | 89.7 | 23% | 0.23 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -59.9 | -41.7 | 172.8 | -74.1 | -168.3 | -63.6 | -89.6 | 0.9 | 112.2 | F170 Q174 Y175 F199 Q200 K205 Y206 K207 | F170-R203 HydrophobicContact CE2-CG 3.8Å; F170-R203 HydrophobicContact CZ-CG 4.22Å; Q174-R203 WeakPolarHBondContact O-CD 3.31Å; Q174-R203 PolarHBondContact O-NH1 2.93Å; Y175-R203 VanDerWaalsContact CE1-NE 3.35Å; F199-R203 WeakPolarHBondContact O-CG 3.4Å; F199-R203 PolarHBondContact O-N 2.97Å; Q200-R203 PolarHBondContact O-N 2.96Å; R203-K205 VanDerWaalsContact C-N 3.35Å; R203-K205 PolarHBondContact O-N 3.32Å; R203-Y206 PolarHBondContact O-N 3.01Å; R203-K207 WeakPolarHBondContact O-CB 3.38Å; R203-K207 PolarHBondContact O-N 3.04Å |
| 204 | S | 98.1 | Very high | 92.2 | Very high | 56 Ų | 56 | 89.2 Ų | 89.2 | 39% | 0.392 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -61.1 | -43.5 | 177.7 | -59.5 | 0 | 0 | 0 | 0 | 111.9 | Q200 N201 R202 K208 | Q200-S204 PolarHBondContact O-N 2.95Å; Q200-S204 PolarHBondContact O-OG 3.06Å; N201-S204 WeakPolarHBondContact O-CB 3.35Å; N201-S204 PolarHBondContact O-N 2.97Å; R202-S204 VanDerWaalsContact C-N 3.32Å; R202-S204 PolarHBondContact O-N 3.16Å; S204-K208 WeakPolarHBondContact O-CG 3.44Å; S204-K208 PolarHBondContact O-N 3.31Å |
| 205 | K | 97.2 | Very high | 90.2 | Very high | 138 Ų | 138 | 91.4 Ų | 91.4 | 60% | 0.6 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -66.9 | -44.1 | 175 | -172.4 | 176.5 | -179.9 | 177.9 | 0 | 111.7 | N201 R202 R203 K207 K208 M209 | N201-K205 PolarHBondContact O-N 3Å; R202-K205 PolarHBondContact O-N 3.48Å; R203-K205 VanDerWaalsContact C-N 3.35Å; R203-K205 PolarHBondContact O-N 3.32Å; K205-K207 PolarHBondContact O-N 3.44Å; K205-K208 PolarHBondContact O-N 2.95Å; K205-M209 PolarHBondContact O-N 2.99Å |
| 206 | Y | 96.8 | Very high | 88 | Confident | 83 Ų | 83 | 100.4 Ų | 100.4 | 33% | 0.325 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -58.5 | -47.8 | 178.5 | -177.7 | -104.1 | 0 | 0 | 0 | 111.5 | F170 R202 R203 K208 M209 M210 | F170-Y206 HydrophobicContact CE1-CD2 4.34Å; F170-Y206 HydrophobicContact CE1-CG 4.31Å; F170-Y206 HydrophobicContact CZ-CG 4.34Å; R202-Y206 WeakPolarHBondContact O-CB 3.33Å; R202-Y206 PolarHBondContact O-N 3.32Å; R203-Y206 PolarHBondContact O-N 3.01Å; Y206-K208 VanDerWaalsContact C-N 3.33Å; Y206-K208 PolarHBondContact O-N 3.21Å; Y206-M209 HydrophobicContact CD2-CE 4.05Å; Y206-M209 HydrophobicContact CE2-CE 4.4Å; Y206-M209 WeakPolarHBondContact O-CB 3.5Å; Y206-M209 PolarHBondContact O-N 3.47Å; Y206-M209 VanDerWaalsContact O-N 3.15Å; Y206-M210 HydrophobicContact CD1-CG 4.31Å; Y206-M210 HydrophobicContact CE1-CG 3.96Å; Y206-M210 HydrophobicContact CE1-SD 4.44Å; Y206-M210 HydrophobicContact CE2-CE 4.12Å; Y206-M210 HydrophobicContact CE2-CG 4.32Å; Y206-M210 HydrophobicContact CE2-SD 4.07Å; Y206-M210 WeakPolarHBondContact O-CG 3.44Å; Y206-M210 PolarHBondContact O-N 3.44Å |
| 207 | K | 96.7 | Very high | 85.7 | Confident | 156 Ų | 156 | 99.9 Ų | 99.9 | 68% | 0.678 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -57 | -42.6 | 175.5 | -174 | 176.5 | 69.2 | 173 | 0 | 112.8 | R203 K205 M210 K211 | R203-K207 WeakPolarHBondContact O-CB 3.38Å; R203-K207 PolarHBondContact O-N 3.04Å; K205-K207 PolarHBondContact O-N 3.44Å; K207-M210 PolarHBondContact O-N 3.31Å; K207-K211 PolarHBondContact O-N 3.21Å |
| 208 | K | 94.9 | Very high | 83.1 | Confident | 154 Ų | 154 | 102.9 Ų | 102.9 | 67% | 0.67 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.7 | -40.3 | 177.7 | -72.1 | 178.5 | 178.9 | -173 | 0 | 112.1 | S204 K205 Y206 K211 T212 | S204-K208 WeakPolarHBondContact O-CG 3.44Å; S204-K208 PolarHBondContact O-N 3.31Å; K205-K208 PolarHBondContact O-N 2.95Å; Y206-K208 VanDerWaalsContact C-N 3.33Å; Y206-K208 PolarHBondContact O-N 3.21Å; K208-K211 PolarHBondContact O-N 3.36Å; K208-T212 PolarHBondContact O-N 3.23Å; K208-T212 PolarHBondContact O-OG1 3.14Å |
| 209 | M | 92.1 | Very high | 80.7 | Confident | 84 Ų | 84 | 111.3 Ų | 111.3 | 41% | 0.414 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -64.4 | -44.3 | 178.1 | -172.5 | 169.9 | 72.5 | 0 | 0 | 111.6 | K205 Y206 K211 T212 Q213 | K205-M209 PolarHBondContact O-N 2.99Å; Y206-M209 HydrophobicContact CD2-CE 4.05Å; Y206-M209 HydrophobicContact CE2-CE 4.4Å; Y206-M209 WeakPolarHBondContact O-CB 3.5Å; Y206-M209 PolarHBondContact O-N 3.47Å; Y206-M209 VanDerWaalsContact O-N 3.15Å; M209-K211 VanDerWaalsContact C-N 3.33Å; M209-K211 PolarHBondContact O-N 2.91Å; M209-T212 PolarHBondContact O-N 3.32Å; M209-Q213 WeakPolarHBondContact O-CG 3.32Å; M209-Q213 PolarHBondContact O-N 3.22Å |
| 210 | M | 89.2 | Confident | 78.2 | Confident | 78 Ų | 78 | 116.6 Ų | 116.6 | 38% | 0.384 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -65 | -33.5 | 178.9 | -61 | -62.5 | 92 | 0 | 0 | 113 | Y206 K207 T212 | Y206-M210 HydrophobicContact CD1-CG 4.31Å; Y206-M210 HydrophobicContact CE1-CG 3.96Å; Y206-M210 HydrophobicContact CE1-SD 4.44Å; Y206-M210 HydrophobicContact CE2-CE 4.12Å; Y206-M210 HydrophobicContact CE2-CG 4.32Å; Y206-M210 HydrophobicContact CE2-SD 4.07Å; Y206-M210 WeakPolarHBondContact O-CG 3.44Å; Y206-M210 PolarHBondContact O-N 3.44Å; K207-M210 PolarHBondContact O-N 3.31Å; M210-T212 VanDerWaalsContact C-N 3.33Å |
| 211 | K | 84.9 | Confident | 75.5 | Confident | 180 Ų | 180 | 117.3 Ų | 117.3 | 78% | 0.783 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -70.3 | -29.6 | 177 | -169 | 65.2 | 162.1 | -178.4 | 0 | 113.1 | K207 K208 M209 | K207-K211 PolarHBondContact O-N 3.21Å; K208-K211 PolarHBondContact O-N 3.36Å; M209-K211 VanDerWaalsContact C-N 3.33Å; M209-K211 PolarHBondContact O-N 2.91Å |
| 212 | T | 80.1 | Confident | 73 | Confident | 117 Ų | 117 | 122.1 Ų | 122.1 | 72% | 0.718 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -86.8 | -19.5 | -176.8 | -46.4 | 0 | 0 | 0 | 0 | 112.1 | K208 M209 M210 S214 | K208-T212 PolarHBondContact O-N 3.23Å; K208-T212 PolarHBondContact O-OG1 3.14Å; M209-T212 PolarHBondContact O-N 3.32Å; M210-T212 VanDerWaalsContact C-N 3.33Å; T212-S214 VanDerWaalsContact C-N 3.3Å; T212-S214 PolarHBondContact O-N 2.97Å |
| 213 | Q | 65 | Low | 70.5 | Confident | 132 Ų | 132 | 123.4 Ų | 123.4 | 62% | 0.617 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | 5.6 | 177.5 | -71.7 | -178.6 | -10.1 | 0 | 0 | 114.1 | M209 P215 | M209-Q213 WeakPolarHBondContact O-CG 3.32Å; M209-Q213 PolarHBondContact O-N 3.22Å; Q213-P215 VanDerWaalsContact O-CD 3.3Å; Q213-P215 WeakPolarHBondContact O-CD 3.34Å |
| 214 | S | 56 | Low | 67.9 | Low | 80 Ų | 80 | 127 Ų | 127 | 56% | 0.559 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -64.2 | 116.9 | 157.1 | 172.5 | 0 | 0 | 0 | 0 | 106.1 | T212 Q216 | T212-S214 VanDerWaalsContact C-N 3.3Å; T212-S214 PolarHBondContact O-N 2.97Å; S214-Q216 PolarHBondContact O-N 3.45Å |
| 215 | P | 56 | Low | 65.5 | Low | 100 Ų | 100 | 129.6 Ų | 129.6 | 65% | 0.649 | 67% | 0.673 | S | S | * | * | | | trans | -58.5 | 112.2 | 179.4 | 23.8 | -31.4 | 0 | 0 | 0 | 106.8 | Q213 T217 | Q213-P215 VanDerWaalsContact O-CD 3.3Å; Q213-P215 WeakPolarHBondContact O-CD 3.34Å; P215-T217 PolarHBondContact O-N 3.32Å |
| 216 | Q | 53 | Low | 63.2 | Low | 190 Ų | 190 | 128.4 Ų | 128.4 | 89% | 0.888 | 68% | 0.683 | S | S | * | * | | | trans | -67 | 84.9 | 150.4 | -67 | -141.9 | -32 | 0 | 0 | 104.8 | S214 D218 | S214-Q216 PolarHBondContact O-N 3.45Å; Q216-D218 PolarHBondContact O-N 3.24Å; Q216-D218 VanDerWaalsContact O-N 3.08Å |
| 217 | T | 50.9 | Low | 60.6 | Low | 101 Ų | 101 | 128.3 Ų | 128.3 | 62% | 0.62 | 71% | 0.707 | S | S | * | * | | | trans | -53.6 | 108 | 153.5 | 35.6 | 0 | 0 | 0 | 0 | 106.3 | P215 K219 | P215-T217 PolarHBondContact O-N 3.32Å; T217-K219 PolarHBondContact O-N 3.02Å |
| 218 | D | 42.9 | Very low | 57.9 | Low | 139 Ų | 139 | 124.5 Ų | 124.5 | 74% | 0.743 | 71% | 0.712 | S | S | * | * | | | trans | 32.2 | 88.4 | 143 | -53 | -49.6 | 0 | 0 | 0 | 114.9 | Q216 | Q216-D218 PolarHBondContact O-N 3.24Å; Q216-D218 VanDerWaalsContact O-N 3.08Å |
| 219 | K | 48.9 | Very low | 55.6 | Low | 208 Ų | 208 | 121 Ų | 121 | 90% | 0.904 | 71% | 0.712 | S | S | * | * | | | trans | -118 | 55.6 | 154.7 | -66.4 | -169.1 | 179.7 | -172.9 | 0 | 109.4 | T217 | T217-K219 PolarHBondContact O-N 3.02Š|
| 220 | T | 45.5 | Very low | 53.6 | Low | 115 Ų | 115 | 125.6 Ų | 125.6 | 71% | 0.706 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -119.5 | 136.2 | 151.4 | 50.3 | 0 | 0 | 0 | 0 | 105.3 | | |
| 221 | V | 41.7 | Very low | 51.6 | Low | 120 Ų | 120 | 128.3 Ų | 128.3 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | S | Bend | trans | 91.6 | 133.8 | -170.8 | -165.9 | 0 | 0 | 0 | 0 | 112.9 | | |
| 222 | F | 47.1 | Very low | 49.8 | Very low | 197 Ų | 197 | 125 Ų | 125 | 86% | 0.864 | 75% | 0.753 | S | S | * | * | | | trans | 93.6 | 64.8 | -177.2 | -49.8 | -68.7 | 0 | 0 | 0 | 117.4 | | |
| 223 | A | 45 | Very low | 48.4 | Very low | 103 Ų | 103 | 124.7 Ų | 124.7 | 85% | 0.851 | 75% | 0.753 | S | S | * | * | | | | -131.8 | 96.3 | 129.3 | 0 | 0 | 0 | 0 | 0 | 107.5 | | |
| 224 | D | 44.7 | Very low | 47.4 | Very low | 137 Ų | 137 | 124 Ų | 124 | 73% | 0.733 | 76% | 0.758 | S | S | * | * | | | trans | -58.5 | 151.1 | 168.9 | -170.1 | 22.9 | 0 | 0 | 0 | 110 | S226 | D224-S226 PolarHBondContact OD1-N 3.29Š|
| 225 | P | 46.6 | Very low | 47.1 | Very low | 109 Ų | 109 | 128 Ų | 128 | 71% | 0.708 | 77% | 0.768 | S | S | * | * | | | | -144.4 | 142.4 | 88.9 | 34.6 | -16.2 | 0 | 0 | 0 | 114.5 | | |
| 226 | S | 50.2 | Low | 46.6 | Very low | 114 Ų | 114 | 127.8 Ų | 127.8 | 80% | 0.797 | 77% | 0.768 | S | S | * | * | | | trans | 84.1 | 112.8 | 155.6 | -59.3 | 0 | 0 | 0 | 0 | 117.8 | D224 | D224-S226 PolarHBondContact OD1-N 3.29Š|
| 227 | G | 41.6 | Very low | 46.6 | Very low | 80 Ų | 80 | 126.8 Ų | 126.8 | 83% | 0.825 | 76% | 0.764 | S | S | * | * | | | trans | 137.2 | 97 | 138.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 228 | G | 40.6 | Very low | 46.4 | Very low | 77 Ų | 77 | 126.3 Ų | 126.3 | 79% | 0.794 | 76% | 0.764 | S | S | * | * | | | trans | 84.9 | 102.2 | 131.2 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 229 | A | 45.4 | Very low | 46.6 | Very low | 81 Ų | 81 | 127.6 Ų | 127.6 | 67% | 0.669 | 77% | 0.768 | S | S | * | * | | | trans | 75.7 | 114.6 | 131.2 | 0 | 0 | 0 | 0 | 0 | 121.1 | | |
| 230 | Q | 49.9 | Very low | 46.6 | Very low | 179 Ų | 179 | 123.5 Ų | 123.5 | 84% | 0.836 | 76% | 0.761 | S | S | * | * | | | | 62.4 | 114.4 | 127 | -56.5 | 173.6 | 59.7 | 0 | 0 | 115.9 | | |
| 231 | T | 47.5 | Very low | 46.6 | Very low | 136 Ų | 136 | 126.1 Ų | 126.1 | 83% | 0.834 | 76% | 0.762 | S | S | * | * | | | | -168.8 | 147 | 58.1 | 46.1 | 0 | 0 | 0 | 0 | 110.8 | | |
| 232 | S | 46.8 | Very low | 46.9 | Very low | 111 Ų | 111 | 127.7 Ų | 127.7 | 78% | 0.776 | 76% | 0.764 | S | S | * | * | | | trans | -106.4 | -171.6 | 161.4 | -39.8 | 0 | 0 | 0 | 0 | 108.1 | | |
| 233 | P | 51.8 | Low | 46.7 | Very low | 109 Ų | 109 | 126.6 Ų | 126.6 | 71% | 0.708 | 76% | 0.761 | S | S | * | * | | | cis | -143.8 | -165.1 | -9.1 | 25.3 | 2.1 | 0 | 0 | 0 | 113.8 | | |
| 234 | T | 44.3 | Very low | 46.8 | Very low | 117 Ų | 117 | 127.9 Ų | 127.9 | 72% | 0.718 | 76% | 0.758 | S | S | * | * | | | trans | 97.1 | 101.4 | 140.8 | -48.7 | 0 | 0 | 0 | 0 | 116.4 | | |
| 235 | Q | 47.8 | Very low | 46.7 | Very low | 165 Ų | 165 | 128.8 Ų | 128.8 | 77% | 0.771 | 76% | 0.763 | S | S | * | * | | | | 73.8 | 112.2 | 65.8 | -166.5 | -173.3 | 89.9 | 0 | 0 | 114.6 | | |
| 236 | S | 46.8 | Very low | 46.7 | Very low | 95 Ų | 95 | 128 Ų | 128 | 66% | 0.664 | 77% | 0.766 | S | S | * | * | | | trans | 179.8 | 115.9 | 138.1 | -82.5 | 0 | 0 | 0 | 0 | 108.9 | | |
| 237 | Q | 52.7 | Low | 46.4 | Very low | 170 Ų | 170 | 126.3 Ų | 126.3 | 79% | 0.794 | 77% | 0.766 | S | S | * | * | | | | 62.9 | 144.3 | 96.3 | -65.3 | -175.5 | 52.5 | 0 | 0 | 113 | | |
| 238 | S | 45.9 | Very low | 46.4 | Very low | 90 Ų | 90 | 125.8 Ų | 125.8 | 63% | 0.629 | 76% | 0.761 | S | S | * | * | | | cis | 169 | 135.5 | -7.2 | 173.3 | 0 | 0 | 0 | 0 | 104.4 | | |
| 239 | M | 47.9 | Very low | 46.6 | Very low | 166 Ų | 166 | 128 Ų | 128 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | | | trans | 66.2 | 139.3 | 161.6 | -52.8 | -107.1 | -100 | 0 | 0 | 115.7 | | |
| 240 | T | 49.1 | Very low | 46.7 | Very low | 122 Ų | 122 | 130.3 Ų | 130.3 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | | | | -172 | 135.3 | 54 | 0.3 | 0 | 0 | 0 | 0 | 109.5 | | |
| 241 | K | 44.7 | Very low | 46.6 | Very low | 171 Ų | 171 | 130.2 Ų | 130.2 | 74% | 0.743 | 77% | 0.768 | S | S | * | * | | | | 50.5 | 117.2 | 126.3 | -163.9 | 166.9 | -179.8 | 178.1 | 0 | 120.7 | | |
| 242 | M | 48.6 | Very low | 46.7 | Very low | 153 Ų | 153 | 128 Ų | 128 | 75% | 0.754 | 76% | 0.757 | S | S | * | * | | | trans | 43.5 | 117.7 | 141 | -66.6 | -165.4 | -76.9 | 0 | 0 | 119.6 | | |
| 243 | Q | 42.2 | Very low | 46.9 | Very low | 173 Ų | 173 | 130.7 Ų | 130.7 | 81% | 0.808 | 76% | 0.758 | S | S | * | * | | | | -154.5 | 122.9 | 128.1 | -167.2 | 77.3 | -37.9 | 0 | 0 | 109.3 | | |
| 244 | V | 47.7 | Very low | 46.6 | Very low | 130 Ų | 130 | 131.7 Ų | 131.7 | 79% | 0.788 | 76% | 0.758 | S | S | * | * | | | trans | -75.9 | 130.1 | 164.3 | -87.2 | 0 | 0 | 0 | 0 | 108 | | |
| 245 | D | 43.5 | Very low | 46.6 | Very low | 157 Ų | 157 | 132.9 Ų | 132.9 | 84% | 0.84 | 76% | 0.76 | S | S | * | * | | | trans | -152.2 | 148.1 | 153.7 | -140.6 | -71.9 | 0 | 0 | 0 | 111.2 | | |
| 246 | A | 44.9 | Very low | 46.7 | Very low | 92 Ų | 92 | 130.2 Ų | 130.2 | 76% | 0.76 | 76% | 0.76 | S | S | * | * | | | trans | -100.4 | 149.7 | -166.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 247 | G | 44.2 | Very low | 47.1 | Very low | 78 Ų | 78 | 131.7 Ų | 131.7 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | | | trans | 147.4 | 117.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |
| 248 | G | 41.1 | Very low | 46.7 | Very low | 70 Ų | 70 | 127 Ų | 127 | 72% | 0.722 | 76% | 0.764 | S | S | * | * | | | cis | 115.1 | 134.5 | 39.3 | 0 | 0 | 0 | 0 | 0 | 106.5 | | |
| 249 | C | 45.6 | Very low | 46.7 | Very low | 123 Ų | 123 | 128.3 Ų | 128.3 | 83% | 0.831 | 77% | 0.773 | S | S | * | * | | | trans | 76.5 | 147.9 | -179.3 | 114 | 0 | 0 | 0 | 0 | 116.3 | | |
| 250 | T | 47.4 | Very low | 46.9 | Very low | 129 Ų | 129 | 127.4 Ų | 127.4 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | | | cis | -170.9 | 147.1 | -23.2 | 17 | 0 | 0 | 0 | 0 | 104.1 | | |
| 251 | Q | 47.1 | Very low | 46.9 | Very low | 177 Ų | 177 | 130.6 Ų | 130.6 | 83% | 0.827 | 79% | 0.785 | S | S | * | * | | | trans | -67.9 | -166.5 | 174.1 | -73.4 | -148.4 | 17.2 | 0 | 0 | 113.9 | | |
| 252 | P | 49.4 | Very low | 46.8 | Very low | 91 Ų | 91 | 127.1 Ų | 127.1 | 59% | 0.591 | 79% | 0.789 | S | S | * | * | | | | -130 | -142.5 | -56.1 | 35.5 | -16.3 | 0 | 0 | 0 | 110.2 | | |
| 253 | M | 52.2 | Low | 46.6 | Very low | 166 Ų | 166 | 125.4 Ų | 125.4 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | | | trans | 107.6 | 102.7 | 169.9 | -51.8 | -53.9 | 172 | 0 | 0 | 113.7 | | |
| 254 | N | 45.8 | Very low | 47.1 | Very low | 130 Ų | 130 | 126.6 Ų | 126.6 | 70% | 0.695 | 80% | 0.797 | S | S | * | * | | | | 79.1 | 115.1 | 85.3 | -169.6 | 28.9 | 0 | 0 | 0 | 113.2 | | |
| 255 | N | 44.8 | Very low | 46.9 | Very low | 143 Ų | 143 | 128.2 Ų | 128.2 | 77% | 0.765 | 80% | 0.801 | S | S | * | * | | | | 174.9 | 126.7 | 126.2 | -87.2 | -19.5 | 0 | 0 | 0 | 112.1 | | |
| 256 | S | 48.7 | Very low | 47 | Very low | 109 Ų | 109 | 124 Ų | 124 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | | | trans | -75.5 | 160.4 | 157.9 | -61.3 | 0 | 0 | 0 | 0 | 110 | | |
| 257 | P | 56.4 | Low | 46.7 | Very low | 126 Ų | 126 | 123.1 Ų | 123.1 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | | | | -140.5 | 156.7 | 103.9 | 31.8 | -14.6 | 0 | 0 | 0 | 110.8 | | |
| 258 | G | 44.3 | Very low | 47 | Very low | 71 Ų | 71 | 128.6 Ų | 128.6 | 73% | 0.732 | 80% | 0.797 | S | S | * | * | | | cis | 95.7 | 84.5 | 39.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 259 | S | 45.1 | Very low | 47.1 | Very low | 118 Ų | 118 | 134.1 Ų | 134.1 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | | | trans | 54.3 | 113.9 | 146.9 | -148 | 0 | 0 | 0 | 0 | 120.3 | | |
| 260 | V | 52.4 | Low | 47 | Very low | 146 Ų | 146 | 132.2 Ų | 132.2 | 89% | 0.885 | 80% | 0.797 | S | S | * | * | | | trans | -152.8 | 124.3 | 137.4 | -79.7 | 0 | 0 | 0 | 0 | 112.1 | | |
| 261 | M | 48.5 | Very low | 47.1 | Very low | 189 Ų | 189 | 133.5 Ų | 133.5 | 93% | 0.931 | 80% | 0.798 | S | S | * | * | | | trans | -5.3 | 132.4 | 154.5 | -56.8 | -89.4 | -157.5 | 0 | 0 | 118.6 | | |
| 262 | A | 43 | Very low | 47 | Very low | 99 Ų | 99 | 136.4 Ų | 136.4 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | | | trans | -136.3 | 108.3 | 155 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 263 | S | 44.2 | Very low | 46.6 | Very low | 116 Ų | 116 | 137.3 Ų | 137.3 | 81% | 0.811 | 81% | 0.81 | S | S | * | * | | | trans | -164.9 | 101 | 161.6 | -75.7 | 0 | 0 | 0 | 0 | 108.3 | | |
| 264 | H | 53.6 | Low | 46.7 | Very low | 199 Ų | 199 | 135.1 Ų | 135.1 | 92% | 0.921 | 81% | 0.808 | S | S | * | * | | | trans | -142.5 | 104.8 | 153.1 | -116.9 | -96.9 | 0 | 0 | 0 | 107.3 | | |
| 265 | D | 42.7 | Very low | 46.8 | Very low | 163 Ų | 163 | 134.7 Ų | 134.7 | 87% | 0.872 | 82% | 0.815 | S | S | * | * | | | trans | -75.4 | 142 | 165.2 | -150.3 | -72.9 | 0 | 0 | 0 | 107.7 | | |
| 266 | G | 46.2 | Very low | 46.8 | Very low | 68 Ų | 68 | 133.7 Ų | 133.7 | 70% | 0.701 | 82% | 0.819 | S | S | * | * | | | trans | -178.2 | 80.6 | -173.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 267 | G | 37.9 | Very low | 46.7 | Very low | 75 Ų | 75 | 132.4 Ų | 132.4 | 77% | 0.773 | 82% | 0.823 | S | S | * | * | | | trans | -73.4 | 143.6 | 168.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 268 | F | 50.3 | Low | 45.9 | Very low | 192 Ų | 192 | 130.3 Ų | 130.3 | 84% | 0.842 | 83% | 0.825 | S | S | * | * | | | trans | -150.7 | 116.2 | 149.3 | 65.1 | -87.1 | 0 | 0 | 0 | 110.1 | | |
| 269 | E | 44.2 | Very low | 46 | Very low | 186 Ų | 186 | 131.5 Ų | 131.5 | 87% | 0.869 | 83% | 0.827 | S | S | * | * | | | trans | 39.7 | 137.2 | 131.9 | -67 | -70.5 | 128.1 | 0 | 0 | 122.1 | | |
| 270 | A | 43.1 | Very low | 46.3 | Very low | 83 Ų | 83 | 131.1 Ų | 131.1 | 69% | 0.686 | 82% | 0.822 | S | S | * | * | | | trans | -79.6 | 148.2 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 271 | I | 50.1 | Low | 46 | Very low | 157 Ų | 157 | 128.3 Ų | 128.3 | 81% | 0.805 | 81% | 0.809 | S | S | * | * | | | trans | -143.9 | 108.2 | 149.3 | -62.4 | -169 | 0 | 0 | 0 | 111.1 | | |
| 272 | R | 44.4 | Very low | 46.1 | Very low | 237 Ų | 237 | 126.7 Ų | 126.7 | 89% | 0.894 | 80% | 0.798 | S | S | * | * | | | trans | 56.8 | 117.2 | 138.8 | -62.3 | 176.6 | 170.3 | -148.8 | -4.2 | 122.2 | | |
| 273 | S | 41.7 | Very low | 46.2 | Very low | 111 Ų | 111 | 127.5 Ų | 127.5 | 78% | 0.776 | 80% | 0.798 | S | S | * | * | | | trans | -65.3 | 169.5 | 146.3 | -41.6 | 0 | 0 | 0 | 0 | 111.5 | | |
| 274 | P | 54 | Low | 46.3 | Very low | 120 Ų | 120 | 128.5 Ų | 128.5 | 78% | 0.779 | 80% | 0.8 | S | S | * | * | | | | -157.3 | 165.7 | 83 | 39.1 | -17.9 | 0 | 0 | 0 | 118.5 | | |
| 275 | S | 46.5 | Very low | 46.3 | Very low | 120 Ų | 120 | 124.8 Ų | 124.8 | 84% | 0.839 | 79% | 0.793 | S | S | * | * | | | trans | 70 | 115 | 141.5 | -84.8 | 0 | 0 | 0 | 0 | 123.1 | | |
| 276 | S | 45.9 | Very low | 46.2 | Very low | 122 Ų | 122 | 122 Ų | 122 | 85% | 0.853 | 79% | 0.787 | S | S | * | * | | | trans | -68.4 | 155.5 | 150.1 | 45.1 | 0 | 0 | 0 | 0 | 113.3 | | |
| 277 | G | 45.7 | Very low | 46.2 | Very low | 83 Ų | 83 | 127.8 Ų | 127.8 | 86% | 0.856 | 80% | 0.795 | S | S | * | * | | | trans | 160.5 | 113.5 | 161.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 278 | G | 41.1 | Very low | 46.7 | Very low | 82 Ų | 82 | 129.4 Ų | 129.4 | 85% | 0.845 | 80% | 0.795 | S | S | * | * | | | trans | 153.9 | 86.6 | 166.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 279 | A | 45.5 | Very low | 46.7 | Very low | 95 Ų | 95 | 126.6 Ų | 126.6 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | | | trans | -75.2 | 168.2 | 160.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 280 | P | 51.2 | Low | 47.2 | Very low | 111 Ų | 111 | 122.2 Ų | 122.2 | 72% | 0.721 | 79% | 0.791 | S | S | * | * | | | | -149.5 | 175.1 | 76.6 | 35.9 | -13.9 | 0 | 0 | 0 | 115.9 | | |
| 281 | S | 47.2 | Very low | 47.2 | Very low | 86 Ų | 86 | 125.3 Ų | 125.3 | 60% | 0.601 | 80% | 0.796 | S | S | * | * | | | trans | -8.2 | 160.7 | 155.7 | 47.9 | 0 | 0 | 0 | 0 | 117.9 | | |
| 282 | H | 49.5 | Very low | 47.2 | Very low | 155 Ų | 155 | 125.5 Ų | 125.5 | 72% | 0.718 | 80% | 0.797 | S | S | * | * | | | | -174.5 | 143.3 | 56.7 | -2.9 | -95.5 | 0 | 0 | 0 | 111.6 | | |
| 283 | S | 45.8 | Very low | 47.1 | Very low | 117 Ų | 117 | 118.9 Ų | 118.9 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | | | trans | 66.5 | 108.9 | 136.2 | -42.7 | 0 | 0 | 0 | 0 | 122.3 | | |
| 284 | T | 45.8 | Very low | 47.3 | Very low | 137 Ų | 137 | 118 Ų | 118 | 84% | 0.84 | 79% | 0.787 | S | S | * | * | | | trans | -64.4 | 159.4 | 153.9 | 47.7 | 0 | 0 | 0 | 0 | 112.8 | | |
| 285 | P | 52.5 | Low | 47.1 | Very low | 121 Ų | 121 | 117.6 Ų | 117.6 | 79% | 0.786 | 79% | 0.787 | S | S | * | * | | | | -139.5 | 143.7 | 120.8 | 34 | -19.4 | 0 | 0 | 0 | 115.1 | | |
| 286 | S | 40.7 | Very low | 47.1 | Very low | 105 Ų | 105 | 117.3 Ų | 117.3 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | | | trans | -64.6 | 141.1 | 161 | 173.2 | 0 | 0 | 0 | 0 | 111.1 | | |
| 287 | Q | 47.1 | Very low | 47.3 | Very low | 189 Ų | 189 | 118.6 Ų | 118.6 | 88% | 0.883 | 79% | 0.787 | S | S | * | * | | | trans | -167.7 | 141.5 | 143.9 | -106.6 | 167.5 | 106 | 0 | 0 | 113 | | |
| 288 | S | 48 | Very low | 47.2 | Very low | 108 Ų | 108 | 118.3 Ų | 118.3 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | | | trans | -67.2 | 167 | -172.2 | -39.3 | 0 | 0 | 0 | 0 | 114.8 | | |
| 289 | P | 51.5 | Low | 47.5 | Very low | 134 Ų | 134 | 121.7 Ų | 121.7 | 87% | 0.87 | 79% | 0.788 | S | S | * | * | | | trans | -87.7 | 142.2 | -174.2 | 34.6 | -30.5 | 0 | 0 | 0 | 112.5 | | |
| 290 | A | 54.4 | Low | 47.6 | Very low | 93 Ų | 93 | 121.2 Ų | 121.2 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | | | trans | -105.7 | 131.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 291 | N | 42.3 | Very low | 47.3 | Very low | 148 Ų | 148 | 124.4 Ų | 124.4 | 79% | 0.791 | 79% | 0.79 | S | S | * | * | | | trans | -66.3 | 132.6 | 173 | -170.9 | 1.3 | 0 | 0 | 0 | 110.5 | | |
| 292 | I | 49.6 | Very low | 47.3 | Very low | 161 Ų | 161 | 125.7 Ų | 125.7 | 83% | 0.826 | 80% | 0.798 | S | S | * | * | | | trans | -138.4 | 120.4 | 163.6 | -35.5 | 177.6 | 0 | 0 | 0 | 108.6 | | |
| 293 | S | 42.7 | Very low | 47.3 | Very low | 98 Ų | 98 | 122.7 Ų | 122.7 | 69% | 0.685 | 80% | 0.795 | S | S | * | * | | | trans | -79.4 | 179.2 | 177.5 | -49.6 | 0 | 0 | 0 | 0 | 112.3 | | |
| 294 | A | 46.7 | Very low | 47.4 | Very low | 94 Ų | 94 | 124.2 Ų | 124.2 | 78% | 0.777 | 79% | 0.794 | S | S | * | * | | | trans | 98.3 | 131.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 295 | S | 48.8 | Very low | 47.3 | Very low | 111 Ų | 111 | 122.9 Ų | 122.9 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | | | cis | -155.9 | 147.3 | 18.9 | -58.4 | 0 | 0 | 0 | 0 | 110 | | |
| 296 | S | 46.2 | Very low | 47.3 | Very low | 113 Ų | 113 | 122.9 Ų | 122.9 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | | | trans | -61.4 | 136.8 | 168.3 | 51.7 | 0 | 0 | 0 | 0 | 113.5 | | |
| 297 | V | 50.6 | Low | 47.7 | Very low | 150 Ų | 150 | 123.7 Ų | 123.7 | 91% | 0.909 | 79% | 0.791 | S | S | * | * | | | trans | -146.3 | 120.2 | 144.9 | -85 | 0 | 0 | 0 | 0 | 108.3 | | |
| 298 | G | 44.5 | Very low | 47.6 | Very low | 76 Ų | 76 | 121.4 Ų | 121.4 | 78% | 0.784 | 79% | 0.79 | S | S | * | * | | | trans | -87.3 | 154.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 299 | V | 47.6 | Very low | 47.5 | Very low | 154 Ų | 154 | 127.3 Ų | 127.3 | 93% | 0.933 | 80% | 0.795 | S | S | * | * | | | trans | -139.5 | 127.8 | 152.8 | 179.7 | 0 | 0 | 0 | 0 | 107.1 | | |
| 300 | A | 46.4 | Very low | 47 | Very low | 85 Ų | 85 | 126.4 Ų | 126.4 | 70% | 0.702 | 79% | 0.793 | S | S | * | * | | | trans | -90.4 | 175.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 301 | Q | 45.7 | Very low | 46.9 | Very low | 178 Ų | 178 | 130 Ų | 130 | 83% | 0.832 | 80% | 0.798 | S | S | * | * | | | trans | 110.8 | 104.4 | 160.5 | -63.2 | 176.1 | -0 | 0 | 0 | 114.2 | | |
| 302 | S | 46.6 | Very low | 46.8 | Very low | 112 Ų | 112 | 129.4 Ų | 129.4 | 78% | 0.783 | 80% | 0.795 | S | S | * | * | | | | 83.8 | 134.2 | 91.1 | -53.2 | 0 | 0 | 0 | 0 | 110.2 | | |
| 303 | S | 50.7 | Low | 46.4 | Very low | 92 Ų | 92 | 129 Ų | 129 | 64% | 0.643 | 79% | 0.793 | S | S | * | * | | | cis | -173 | 169.9 | -1.2 | 40.4 | 0 | 0 | 0 | 0 | 105.9 | | |
| 304 | D | 46.4 | Very low | 46.3 | Very low | 150 Ų | 150 | 129.3 Ų | 129.3 | 80% | 0.802 | 80% | 0.796 | S | S | * | * | | | trans | 91.8 | 101.5 | 157 | -50.7 | -48.2 | 0 | 0 | 0 | 120.2 | | |
| 305 | S | 45 | Very low | 46.4 | Very low | 109 Ų | 109 | 129.1 Ų | 129.1 | 76% | 0.762 | 79% | 0.789 | S | S | * | * | | | trans | -84.1 | 168.7 | 156.5 | -47.9 | 0 | 0 | 0 | 0 | 109.8 | | |
| 306 | P | 53 | Low | 46 | Very low | 121 Ų | 121 | 127.5 Ų | 127.5 | 79% | 0.786 | 79% | 0.79 | S | S | * | * | | | | -151.5 | 139.6 | 77.6 | 34.4 | -12.7 | 0 | 0 | 0 | 117.1 | | |
| 307 | T | 48.4 | Very low | 45.6 | Very low | 122 Ų | 122 | 134.1 Ų | 134.1 | 75% | 0.748 | 80% | 0.797 | S | S | * | * | | | | 32 | 112.5 | 124.3 | -49.4 | 0 | 0 | 0 | 0 | 120 | | |
| 308 | T | 45.4 | Very low | 45.3 | Very low | 140 Ų | 140 | 132.5 Ų | 132.5 | 86% | 0.859 | 79% | 0.792 | S | S | * | * | | | trans | -136.6 | 99.3 | 140.5 | 38.3 | 0 | 0 | 0 | 0 | 111.6 | | |
| 309 | R | 45.9 | Very low | 45.6 | Very low | 232 Ų | 232 | 135.2 Ų | 135.2 | 88% | 0.875 | 80% | 0.796 | S | S | * | * | | | trans | 43.3 | 103.9 | 137.3 | -67.7 | -177.7 | 162.1 | -158.7 | -5.7 | 119.2 | | |
| 310 | S | 39.7 | Very low | 45.3 | Very low | 116 Ų | 116 | 133.4 Ų | 133.4 | 81% | 0.811 | 79% | 0.791 | S | S | * | * | | | trans | -51.2 | 133.4 | 149 | -51.9 | 0 | 0 | 0 | 0 | 112.7 | | |
| 311 | L | 52 | Low | 45 | Very low | 169 Ų | 169 | 134.9 Ų | 134.9 | 89% | 0.885 | 79% | 0.794 | S | S | * | * | | | trans | -130.7 | 100 | 145.7 | -73.1 | 177 | 0 | 0 | 0 | 107.7 | | |
| 312 | N | 40.8 | Very low | 44.9 | Very low | 134 Ų | 134 | 132.5 Ų | 132.5 | 72% | 0.717 | 80% | 0.798 | S | S | * | * | | | trans | -74.6 | 115.2 | 162.8 | -179.6 | -0.7 | 0 | 0 | 0 | 106.9 | | |
| 313 | L | 40.7 | Very low | 44.8 | Very low | 152 Ų | 152 | 132.6 Ų | 132.6 | 80% | 0.796 | 80% | 0.798 | S | S | * | * | | | trans | -129.8 | 96.6 | 161.4 | -124.2 | 78.6 | 0 | 0 | 0 | 107.8 | | |
| 314 | S | 42 | Very low | 44.3 | Very low | 106 Ų | 106 | 131.4 Ų | 131.4 | 74% | 0.741 | 80% | 0.801 | S | S | * | * | | | trans | -64.8 | 120.3 | 158.3 | -73.1 | 0 | 0 | 0 | 0 | 109.3 | | |
| 315 | S | 48.9 | Very low | 44 | Very low | 90 Ų | 90 | 134.6 Ų | 134.6 | 63% | 0.629 | 81% | 0.808 | S | S | * | * | | | trans | -169.5 | 124.3 | 151.4 | 35 | 0 | 0 | 0 | 0 | 110.4 | | |
| 316 | G | 39 | Very low | 43.9 | Very low | 77 Ų | 77 | 135.5 Ų | 135.5 | 79% | 0.794 | 81% | 0.809 | S | S | * | * | | | trans | -65.2 | 151.9 | -170.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 317 | W | 37.7 | Very low | 43.4 | Very low | 252 Ų | 252 | 138 Ų | 138 | 96% | 0.955 | 82% | 0.815 | S | S | * | * | | | trans | -103.2 | 100.8 | 171.9 | -64.1 | 3.4 | 0 | 0 | 0 | 108.3 | | |
| 318 | S | 45.2 | Very low | 43.4 | Very low | 115 Ų | 115 | 138 Ų | 138 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | | | trans | -76.8 | 134.4 | 153.4 | -68.5 | 0 | 0 | 0 | 0 | 108.2 | S320 | S318-S320 PolarHBondContact O-N 2.87Š|
| 319 | P | 51 | Low | 43.1 | Very low | 133 Ų | 133 | 139.3 Ų | 139.3 | 86% | 0.864 | 82% | 0.817 | S | S | * | * | | | trans | -89.1 | 103.2 | 176.6 | 32.6 | -26.9 | 0 | 0 | 0 | 109.4 | | |
| 320 | S | 41.6 | Very low | 43.1 | Very low | 117 Ų | 117 | 134.9 Ų | 134.9 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | | | trans | -160.6 | 96.4 | 162.1 | 178.9 | 0 | 0 | 0 | 0 | 111.1 | S318 | S318-S320 PolarHBondContact O-N 2.87Š|
| 321 | C | 39.6 | Very low | 43.3 | Very low | 115 Ų | 115 | 136.9 Ų | 136.9 | 78% | 0.777 | 81% | 0.806 | S | S | * | * | | | trans | -160.8 | 93.1 | 146 | 48.8 | 0 | 0 | 0 | 0 | 109.7 | S323 | C321-S323 PolarHBondContact O-N 3.03Š|
| 322 | S | 43.5 | Very low | 43 | Very low | 129 Ų | 129 | 134.9 Ų | 134.9 | 90% | 0.902 | 80% | 0.801 | S | S | * | * | | | trans | -81.2 | 99.4 | 154.4 | -64.2 | 0 | 0 | 0 | 0 | 107.3 | | |
| 323 | S | 44.4 | Very low | 43.3 | Very low | 114 Ų | 114 | 132.8 Ų | 132.8 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | | | trans | -158.4 | 108.9 | 167.4 | -60.3 | 0 | 0 | 0 | 0 | 103.5 | C321 | C321-S323 PolarHBondContact O-N 3.03Š|
| 324 | G | 39.5 | Very low | 43.5 | Very low | 67 Ų | 67 | 134.9 Ų | 134.9 | 69% | 0.691 | 80% | 0.8 | S | S | * | * | | | | 122.1 | 96.8 | 52.5 | 0 | 0 | 0 | 0 | 0 | 104.9 | | |
| 325 | F | 40.9 | Very low | 43.8 | Very low | 216 Ų | 216 | 134.4 Ų | 134.4 | 95% | 0.947 | 79% | 0.794 | S | S | * | * | | | trans | -137.4 | 108.4 | 159.5 | -92.1 | -77.8 | 0 | 0 | 0 | 107.9 | | |
| 326 | T | 43.8 | Very low | 43.1 | Very low | 128 Ų | 128 | 140.1 Ų | 140.1 | 79% | 0.785 | 80% | 0.803 | S | S | * | * | | | trans | -81.8 | 124.8 | 168.9 | 47.9 | 0 | 0 | 0 | 0 | 108.5 | | |
| 327 | L | 40.7 | Very low | 43.4 | Very low | 174 Ų | 174 | 142.3 Ų | 142.3 | 91% | 0.911 | 80% | 0.801 | S | S | * | * | | | trans | -113.8 | 119.6 | 149.3 | -81.9 | 176.1 | 0 | 0 | 0 | 107.9 | | |
| 328 | T | 49.9 | Very low | 43.6 | Very low | 123 Ų | 123 | 135.8 Ų | 135.8 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | | | trans | -60 | 129.7 | 178.6 | 46.8 | 0 | 0 | 0 | 0 | 111.2 | | |
| 329 | N | 39.1 | Very low | 43.3 | Very low | 167 Ų | 167 | 139 Ų | 139 | 89% | 0.893 | 79% | 0.794 | S | S | * | * | | | trans | -133 | 103.1 | 145.2 | -136 | -51.1 | 0 | 0 | 0 | 107 | | |
| 330 | L | 45.8 | Very low | 42.9 | Very low | 138 Ų | 138 | 136.5 Ų | 136.5 | 72% | 0.723 | 79% | 0.791 | S | S | * | * | | | trans | -80.7 | 124.3 | -174.4 | -172.8 | 63.1 | 0 | 0 | 0 | 108 | | |
| 331 | E | 43.6 | Very low | 43 | Very low | 159 Ų | 159 | 137.3 Ų | 137.3 | 74% | 0.743 | 79% | 0.792 | S | S | * | * | | | trans | 57.1 | 109.6 | 135.5 | -145.5 | 135.7 | 122.5 | 0 | 0 | 118 | | |
| 332 | T | 46.1 | Very low | 43.3 | Very low | 127 Ų | 127 | 140.9 Ų | 140.9 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | | | | 173.5 | 131.1 | 100.9 | -71.3 | 0 | 0 | 0 | 0 | 109.8 | | |
| 333 | S | 46.1 | Very low | 43.2 | Very low | 90 Ų | 90 | 141 Ų | 141 | 63% | 0.629 | 79% | 0.787 | S | S | * | * | | | trans | -70.3 | 150.2 | 177.3 | 58.1 | 0 | 0 | 0 | 0 | 114.2 | | |
| 334 | K | 45.4 | Very low | 43.2 | Very low | 196 Ų | 196 | 140.6 Ų | 140.6 | 85% | 0.852 | 79% | 0.785 | S | S | * | * | | | trans | 90.8 | 148.6 | 149.5 | -71 | 174.1 | -175.1 | -177.7 | 0 | 119.4 | | |
| 335 | P | 46.9 | Very low | 43.7 | Very low | 96 Ų | 96 | 144.6 Ų | 144.6 | 62% | 0.623 | 79% | 0.787 | S | S | * | * | | | trans | -113.5 | -172.3 | -144.5 | 21 | 2.6 | 0 | 0 | 0 | 113.8 | | |
| 336 | Y | 35.7 | Very low | 44 | Very low | 209 Ų | 209 | 141.8 Ų | 141.8 | 82% | 0.82 | 78% | 0.782 | S | S | * | * | | | trans | 104.8 | 131.6 | 161.1 | -59.3 | -80.7 | 0 | 0 | 0 | 118.4 | | |
| 337 | T | 45.7 | Very low | 44.2 | Very low | 124 Ų | 124 | 146.3 Ų | 146.3 | 76% | 0.761 | 79% | 0.785 | S | S | * | * | | | trans | 101.1 | 101.9 | 140.4 | -59.4 | 0 | 0 | 0 | 0 | 120 | | |
| 338 | V | 41.6 | Very low | 44.5 | Very low | 115 Ų | 115 | 143.3 Ų | 143.3 | 70% | 0.697 | 78% | 0.778 | S | S | * | * | | | | 77.8 | 123 | 124.5 | 173.4 | 0 | 0 | 0 | 0 | 121.3 | | |
| 339 | M | 38.1 | Very low | 44.5 | Very low | 183 Ų | 183 | 143.9 Ų | 143.9 | 90% | 0.901 | 78% | 0.782 | S | S | * | * | | | trans | 31 | 133.7 | 142.7 | -60.4 | -161.6 | -73.7 | 0 | 0 | 121.1 | | |
| 340 | G | 41.8 | Very low | 45 | Very low | 79 Ų | 79 | 140.9 Ų | 140.9 | 81% | 0.814 | 77% | 0.774 | S | S | * | * | | | trans | 174.5 | 106.3 | 155.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 341 | T | 45.3 | Very low | 44.9 | Very low | 135 Ų | 135 | 142 Ų | 142 | 83% | 0.828 | 78% | 0.78 | S | S | * | * | | | trans | -76.5 | 142.5 | 178.3 | 45.7 | 0 | 0 | 0 | 0 | 113.7 | | |
| 342 | Q | 45 | Very low | 45.6 | Very low | 189 Ų | 189 | 140.9 Ų | 140.9 | 88% | 0.883 | 78% | 0.783 | S | S | * | * | | | trans | -167.8 | 103.3 | 146.7 | -123.7 | 176.7 | -8.8 | 0 | 0 | 108.7 | | |
| 343 | D | 41.1 | Very low | 45.7 | Very low | 131 Ų | 131 | 140.6 Ų | 140.6 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | | | | 50.6 | 111.8 | 87.3 | -102.5 | -62.4 | 0 | 0 | 0 | 114.8 | | |
| 344 | S | 45.7 | Very low | 45.7 | Very low | 107 Ų | 107 | 143.5 Ų | 143.5 | 75% | 0.748 | 79% | 0.785 | S | S | * | * | | | | 171.5 | 99.8 | 118.4 | -163.8 | 0 | 0 | 0 | 0 | 112.9 | | |
| 345 | M | 48.9 | Very low | 46 | Very low | 150 Ų | 150 | 142.4 Ų | 142.4 | 74% | 0.739 | 78% | 0.78 | S | S | * | * | | | | 34.3 | 118.4 | 125.3 | -58.2 | 165 | -163 | 0 | 0 | 120.8 | | |
| 346 | N | 46.8 | Very low | 46.2 | Very low | 157 Ų | 157 | 143.5 Ų | 143.5 | 84% | 0.84 | 79% | 0.787 | S | S | * | * | | | | -158.7 | 87.3 | 128 | -142.9 | 6.9 | 0 | 0 | 0 | 110.2 | | |
| 347 | R | 48.2 | Very low | 46.9 | Very low | 223 Ų | 223 | 138.6 Ų | 138.6 | 84% | 0.842 | 78% | 0.781 | S | S | * | * | | | | 39.1 | 119.2 | 106.9 | -82.8 | -172.4 | 168.3 | -165.8 | -2.4 | 115.6 | | |
| 348 | S | 46.8 | Very low | 47.2 | Very low | 111 Ų | 111 | 139.1 Ų | 139.1 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | | | trans | -170.5 | 109.1 | 130.3 | -77.5 | 0 | 0 | 0 | 0 | 111.7 | | |
| 349 | V | 51.6 | Low | 47.5 | Very low | 136 Ų | 136 | 137.7 Ų | 137.7 | 82% | 0.824 | 78% | 0.784 | S | S | * | * | | | trans | 56.8 | 141.2 | 140.5 | -54.4 | 0 | 0 | 0 | 0 | 120.1 | | |
| 350 | S | 48.5 | Very low | 48.1 | Very low | 104 Ų | 104 | 136.4 Ų | 136.4 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | | | cis | -177.7 | 113.2 | 0.1 | 40 | 0 | 0 | 0 | 0 | 105.6 | | |
| 351 | L | 44 | Very low | 48.6 | Very low | 162 Ų | 162 | 140.3 Ų | 140.3 | 85% | 0.848 | 78% | 0.783 | S | S | * | * | | | | 52 | 105.2 | 100.3 | -168.4 | 68.5 | 0 | 0 | 0 | 116.9 | | |
| 352 | V | 57.5 | Low | 49 | Very low | 134 Ų | 134 | 137.3 Ų | 137.3 | 81% | 0.812 | 77% | 0.766 | S | S | * | * | | | trans | -179.1 | 137 | 134.3 | -81.5 | 0 | 0 | 0 | 0 | 105.3 | | |
| 353 | D | 48.9 | Very low | 49.2 | Very low | 121 Ų | 121 | 138.8 Ų | 138.8 | 65% | 0.647 | 77% | 0.765 | S | S | * | * | | | cis | -166.2 | 139.6 | -6.8 | -152 | -65.9 | 0 | 0 | 0 | 105.3 | | |
| 354 | L | 47.2 | Very low | 49.9 | Very low | 152 Ų | 152 | 139.6 Ų | 139.6 | 80% | 0.796 | 77% | 0.769 | S | S | * | * | | | trans | 15.1 | 133.1 | 155.1 | -65.4 | 150.9 | 0 | 0 | 0 | 118.9 | | |
| 355 | K | 51.2 | Low | 50 | Low | 173 Ų | 173 | 144.8 Ų | 144.8 | 75% | 0.752 | 77% | 0.774 | S | S | * | * | | | cis | 174 | 140.4 | 43.5 | 170.9 | 95.6 | 171.2 | 174.1 | 0 | 107.2 | | |
| 356 | P | 49.8 | Very low | 49.8 | Very low | 119 Ų | 119 | 140.6 Ų | 140.6 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | | | trans | -95.2 | 140.3 | 166.7 | 34.6 | -27 | 0 | 0 | 0 | 110.8 | | |
| 357 | P | 52 | Low | 50 | Low | 106 Ų | 106 | 142.1 Ų | 142.1 | 69% | 0.688 | 77% | 0.77 | S | S | * | * | | | trans | -145.2 | 136.8 | 143 | 31.1 | -12 | 0 | 0 | 0 | 116 | | |
| 358 | V | 52.2 | Low | 50.2 | Low | 134 Ų | 134 | 136.3 Ų | 136.3 | 81% | 0.812 | 77% | 0.77 | S | S | * | * | | | | 63.5 | 122.6 | 129.6 | -172.4 | 0 | 0 | 0 | 0 | 120.3 | | |
| 359 | A | 47.3 | Very low | 50.1 | Low | 85 Ų | 85 | 134.7 Ų | 134.7 | 70% | 0.702 | 77% | 0.771 | S | S | * | * | | | trans | -0.2 | 133.2 | 154 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 360 | N | 50.3 | Low | 49.6 | Very low | 157 Ų | 157 | 137.1 Ų | 137.1 | 84% | 0.84 | 77% | 0.773 | S | S | * | * | | | trans | -146.8 | 118.8 | 150 | -80 | -51.8 | 0 | 0 | 0 | 109.1 | | |
| 361 | N | 52.1 | Low | 49.9 | Very low | 161 Ų | 161 | 136.4 Ų | 136.4 | 86% | 0.861 | 77% | 0.766 | S | S | * | * | | | trans | -130.7 | 115 | 139.3 | -153.5 | 19.5 | 0 | 0 | 0 | 107.1 | | |
| 362 | P | 54.5 | Low | 50.3 | Low | 72 Ų | 72 | 135 Ų | 135 | 47% | 0.468 | 76% | 0.764 | S | S | . | * | | | trans | -87.9 | 169.9 | 178.3 | 32.9 | -26 | 0 | 0 | 0 | 110.8 | | |
| 363 | Y | 49.5 | Very low | 50.1 | Low | 220 Ų | 220 | 132.7 Ų | 132.7 | 86% | 0.863 | 76% | 0.759 | S | S | * | * | | | trans | 79.1 | 116.5 | -177.5 | -39.9 | -70.4 | 0 | 0 | 0 | 112.5 | | |
| 364 | D | 54.1 | Low | 49.8 | Very low | 148 Ų | 148 | 136 Ų | 136 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | | | cis | -165.6 | 154.3 | 44.6 | -166.2 | 27.5 | 0 | 0 | 0 | 112.3 | | |
| 365 | Y | 48.6 | Very low | 50.3 | Low | 216 Ų | 216 | 136.3 Ų | 136.3 | 85% | 0.847 | 77% | 0.769 | S | S | * | * | | | trans | -55.2 | 149.2 | -174.3 | -77.7 | -111 | 0 | 0 | 0 | 113.6 | | |
| 366 | G | 44 | Very low | 50.6 | Low | 61 Ų | 61 | 135.1 Ų | 135.1 | 63% | 0.629 | 77% | 0.766 | S | S | * | * | | | cis | 108.1 | 107.3 | 40 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 367 | H | 52.6 | Low | 50.4 | Low | 189 Ų | 189 | 138.6 Ų | 138.6 | 88% | 0.875 | 77% | 0.772 | S | S | * | * | | | trans | 165.5 | 127.8 | 137.5 | -105 | -78.9 | 0 | 0 | 0 | 114.4 | | |
| 368 | A | 51.4 | Low | 50.8 | Low | 102 Ų | 102 | 138.8 Ų | 138.8 | 84% | 0.843 | 78% | 0.776 | S | S | * | * | | | trans | 59.2 | 136.4 | 145.3 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 369 | G | 45.4 | Very low | 51.4 | Low | 76 Ų | 76 | 138 Ų | 138 | 78% | 0.784 | 77% | 0.774 | S | S | * | * | | | cis | 163 | 133.9 | 10.9 | 0 | 0 | 0 | 0 | 0 | 106.4 | | |
| 370 | E | 40.2 | Very low | 51.7 | Low | 187 Ų | 187 | 140 Ų | 140 | 87% | 0.874 | 78% | 0.776 | S | S | * | * | | | trans | -63.7 | -175.3 | 179.5 | -114.1 | -146.1 | 154.4 | 0 | 0 | 114.4 | | |
| 371 | P | 54.8 | Low | 52.5 | Low | 89 Ų | 89 | 138.4 Ų | 138.4 | 58% | 0.578 | 77% | 0.773 | S | S | * | * | | | cis | -134 | -174.9 | -22.1 | 21.5 | 1.6 | 0 | 0 | 0 | 113.9 | | |
| 372 | T | 52.5 | Low | 52.4 | Low | 132 Ų | 132 | 141 Ų | 141 | 81% | 0.81 | 77% | 0.772 | S | S | * | * | | | trans | 101.4 | 110 | 146 | -33.3 | 0 | 0 | 0 | 0 | 117.2 | | |
| 373 | A | 54.1 | Low | 53.1 | Low | 86 Ų | 86 | 146 Ų | 146 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | | | | 166 | 122 | 113 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 374 | F | 43.1 | Very low | 53.9 | Low | 191 Ų | 191 | 143.4 Ų | 143.4 | 84% | 0.838 | 78% | 0.784 | S | S | * | * | | | trans | -71.7 | 115.4 | 174.3 | -163.7 | -92.6 | 0 | 0 | 0 | 109.4 | | |
| 375 | I | 57.4 | Low | 55 | Low | 159 Ų | 159 | 141 Ų | 141 | 82% | 0.815 | 78% | 0.777 | S | S | * | * | | | trans | -133 | 117.5 | 166.6 | -66.4 | -174.4 | 0 | 0 | 0 | 111.2 | | |
| 376 | Q | 55.8 | Low | 56 | Low | 147 Ų | 147 | 136.5 Ų | 136.5 | 69% | 0.687 | 77% | 0.774 | S | S | * | * | | | trans | -35.1 | 131 | 173.9 | -148.7 | 86.4 | 5 | 0 | 0 | 115.7 | S378 | Q376-S378 PolarHBondContact O-N 3.45Š|
| 377 | Q | 46.5 | Very low | 56.8 | Low | 193 Ų | 193 | 138.3 Ų | 138.3 | 90% | 0.902 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 126.9 | 165 | -68.5 | 171.8 | -4.4 | 0 | 0 | 110.2 | | |
| 378 | S | 60.5 | Low | 56.7 | Low | 109 Ų | 109 | 136.3 Ų | 136.3 | 76% | 0.762 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -101.2 | 138.9 | 169.7 | -52.5 | 0 | 0 | 0 | 0 | 109.3 | Q376 | Q376-S378 PolarHBondContact O-N 3.45Š|
| 379 | P | 63.8 | Low | 56.9 | Low | 119 Ų | 119 | 139.6 Ų | 139.6 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 148.2 | -169.1 | 30 | -33.8 | 0 | 0 | 0 | 114 | T381 | P379-T381 PolarHBondContact O-N 3.48Š|
| 380 | V | 55.3 | Low | 57.4 | Low | 125 Ų | 125 | 141 Ų | 141 | 76% | 0.758 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 119.5 | -179 | -167.6 | 0 | 0 | 0 | 0 | 110.7 | Y382 | V380-Y382 HydrophobicContact CG1-CD2 4.27Å; V380-Y382 HydrophobicContact CG1-CE2 4.21Å |
| 381 | T | 66.8 | Low | 58.3 | Low | 124 Ų | 124 | 142 Ų | 142 | 76% | 0.761 | 77% | 0.771 | S | S | * | * | | | trans | -97.9 | 112.1 | 170.1 | -61.8 | 0 | 0 | 0 | 0 | 109.4 | P379 | P379-T381 PolarHBondContact O-N 3.48Š|
| 382 | Y | 49.3 | Very low | 58.3 | Low | 216 Ų | 216 | 144.9 Ų | 144.9 | 85% | 0.847 | 78% | 0.782 | S | S | * | * | | | trans | -76.3 | 117.1 | 171 | -90.1 | -95.7 | 0 | 0 | 0 | 109.9 | V380 | V380-Y382 HydrophobicContact CG1-CD2 4.27Å; V380-Y382 HydrophobicContact CG1-CE2 4.21Å |
| 383 | H | 68.7 | Low | 58.5 | Low | 177 Ų | 177 | 145.1 Ų | 145.1 | 82% | 0.819 | 78% | 0.783 | S | S | * | * | | | trans | -91.7 | 112.4 | 170 | -130.2 | -80.5 | 0 | 0 | 0 | 109.3 | | |
| 384 | H | 67.8 | Low | 58.8 | Low | 165 Ų | 165 | 154.8 Ų | 154.8 | 76% | 0.764 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 134.6 | 174.6 | -160.9 | -80.6 | 0 | 0 | 0 | 109.8 | | |
| 385 | P | 76.5 | Confident | 59.5 | Low | 98 Ų | 98 | 153 Ų | 153 | 64% | 0.636 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 145.7 | 172.3 | 30 | -31.6 | 0 | 0 | 0 | 110.8 | | |
| 386 | P | 70.7 | Confident | 59.6 | Low | 122 Ų | 122 | 152.6 Ų | 152.6 | 79% | 0.792 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 142.9 | 179.8 | 30.5 | -32.9 | 0 | 0 | 0 | 111.1 | | |
| 387 | P | 59 | Low | 59.9 | Low | 98 Ų | 98 | 152.9 Ų | 152.9 | 64% | 0.636 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -88.9 | 150 | 176.6 | 36.2 | -31.7 | 0 | 0 | 0 | 111.1 | | |
| 388 | N | 51.9 | Low | 60.6 | Low | 148 Ų | 148 | 150.6 Ų | 150.6 | 79% | 0.791 | 80% | 0.801 | S | S | * | * | | | trans | 81.2 | 98.7 | 164.2 | -45.7 | -63.5 | 0 | 0 | 0 | 117.1 | | |
| 389 | L | 55.8 | Low | 60.7 | Low | 170 Ų | 170 | 153.2 Ų | 153.2 | 89% | 0.89 | 80% | 0.804 | S | S | * | * | | | trans | -140.4 | 104.2 | 135.8 | -97.7 | 156.1 | 0 | 0 | 0 | 107.7 | | |
| 390 | C | 55.6 | Low | 60.5 | Low | 106 Ų | 106 | 155.5 Ų | 155.5 | 72% | 0.716 | 81% | 0.806 | S | S | * | * | | | trans | -45 | 140.2 | 170.4 | 34.3 | 0 | 0 | 0 | 0 | 114 | | |
| 391 | F | 58.6 | Low | 60.8 | Low | 208 Ų | 208 | 157.6 Ų | 157.6 | 91% | 0.912 | 81% | 0.809 | S | S | * | * | | | trans | -126.4 | 113.7 | 150.1 | -103.7 | -88.6 | 0 | 0 | 0 | 108.2 | | |
| 392 | N | 56 | Low | 60.4 | Low | 150 Ų | 150 | 160.2 Ų | 160.2 | 80% | 0.802 | 81% | 0.813 | S | S | * | * | | | trans | -64 | 138.6 | 174.1 | -92.1 | -16.6 | 0 | 0 | 0 | 110.5 | | |
| 393 | V | 56.7 | Low | 61.3 | Low | 137 Ų | 137 | 155.6 Ų | 155.6 | 83% | 0.83 | 81% | 0.81 | S | S | * | * | | | trans | -79.2 | 125.4 | 157.3 | 174.9 | 0 | 0 | 0 | 0 | 107.4 | | |
| 394 | Y | 58.3 | Low | 60.6 | Low | 288 Ų | 288 | 153.6 Ų | 153.6 | 100% | 1.129 | 81% | 0.809 | S | S | * | * | | | trans | -139.2 | 0 | 153.2 | -119.2 | -80.6 | 0 | 0 | 0 | 108.2 | | |