| 1 | M | 34.2 | Very low | 31.2 | Very low | 237 Ų | 237 | 153.8 Ų | 153.8 | 100% | 1.167 | 81% | 0.813 | S | S | * | * | | | | 0 | 94.4 | 0 | -55.2 | 175.7 | 83 | 0 | 0 | 105.1 | | |
| 2 | S | 30.6 | Very low | 31 | Very low | 118 Ų | 118 | 150.8 Ų | 150.8 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | | | | 74.4 | 135.3 | 73.7 | -154.3 | 0 | 0 | 0 | 0 | 112.5 | | |
| 3 | S | 29.1 | Very low | 30.7 | Very low | 79 Ų | 79 | 148.2 Ų | 148.2 | 55% | 0.552 | 81% | 0.812 | S | S | * | * | | | trans | -44.2 | 153.2 | -177.2 | 42.8 | 0 | 0 | 0 | 0 | 114.9 | | |
| 4 | H | 34.1 | Very low | 30.7 | Very low | 149 Ų | 149 | 146.7 Ų | 146.7 | 69% | 0.69 | 82% | 0.816 | S | S | * | * | | | | -165.7 | 170.1 | 69 | -90.3 | -82.4 | 0 | 0 | 0 | 114.6 | | |
| 5 | H | 30.4 | Very low | 30.4 | Very low | 160 Ų | 160 | 146.9 Ų | 146.9 | 74% | 0.741 | 81% | 0.814 | S | S | * | * | | | trans | -5.8 | 138.2 | 165.2 | -41 | -70.1 | 0 | 0 | 0 | 118 | | |
| 6 | S | 29.4 | Very low | 30.6 | Very low | 99 Ų | 99 | 149.4 Ų | 149.4 | 69% | 0.692 | 82% | 0.818 | S | S | * | * | | | | 170.4 | -176.2 | 71.3 | 54.2 | 0 | 0 | 0 | 0 | 112.3 | | |
| 7 | L | 31.2 | Very low | 30.5 | Very low | 148 Ų | 148 | 146.6 Ų | 146.6 | 78% | 0.775 | 81% | 0.812 | S | S | * | * | | | trans | 64.4 | 105.1 | 156.2 | -64.8 | 166.4 | 0 | 0 | 0 | 119.8 | | |
| 8 | S | 33.7 | Very low | 30.3 | Very low | 128 Ų | 128 | 148.6 Ų | 148.6 | 90% | 0.895 | 81% | 0.814 | S | S | * | * | | | trans | -164 | 101.2 | 135.2 | -87.2 | 0 | 0 | 0 | 0 | 112.2 | | |
| 9 | P | 31.1 | Very low | 30.7 | Very low | 118 Ų | 118 | 146.2 Ų | 146.2 | 77% | 0.766 | 81% | 0.806 | S | S | * | * | | | trans | -98.8 | 138.2 | 175.6 | 35.2 | -30 | 0 | 0 | 0 | 112.5 | | |
| 10 | R | 31.6 | Very low | 30.6 | Very low | 249 Ų | 249 | 145.6 Ų | 145.6 | 94% | 0.94 | 80% | 0.802 | S | S | * | * | | | trans | -145.8 | 123.5 | 161.1 | -118 | 179.5 | -176.8 | -168.7 | 0.1 | 112.6 | | |
| 11 | K | 27.6 | Very low | 30.4 | Very low | 207 Ų | 207 | 144.4 Ų | 144.4 | 90% | 0.9 | 79% | 0.793 | S | S | * | * | | | trans | -101.2 | 144.5 | 161 | -61.8 | 177.9 | 179.2 | -179.4 | 0 | 108 | | |
| 12 | S | 29.6 | Very low | 30.1 | Very low | 117 Ų | 117 | 144.7 Ų | 144.7 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | | | trans | -162.3 | 132.9 | 155.2 | 51.7 | 0 | 0 | 0 | 0 | 110.5 | | |
| 13 | C | 26.2 | Very low | 30.4 | Very low | 118 Ų | 118 | 143.9 Ų | 143.9 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | | | trans | -106.3 | 137.8 | 175.8 | -47.9 | 0 | 0 | 0 | 0 | 110.2 | | |
| 14 | C | 31.1 | Very low | 30.5 | Very low | 127 Ų | 127 | 147.3 Ų | 147.3 | 86% | 0.858 | 78% | 0.782 | S | S | * | * | | | trans | -126.9 | 127.5 | 153.6 | -66.1 | 0 | 0 | 0 | 0 | 105.2 | | |
| 15 | N | 27 | Very low | 30.4 | Very low | 149 Ų | 149 | 147 Ų | 147 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | | | cis | 58.8 | 83.4 | 28.3 | -80.8 | -1.8 | 0 | 0 | 0 | 114.3 | | |
| 16 | Q | 33.4 | Very low | 30.5 | Very low | 188 Ų | 188 | 147.3 Ų | 147.3 | 88% | 0.879 | 78% | 0.783 | S | S | * | * | | | trans | -158.7 | 122.9 | 140.1 | -115.8 | 163.7 | 9.9 | 0 | 0 | 114.5 | | |
| 17 | S | 28.1 | Very low | 30.4 | Very low | 102 Ų | 102 | 146.7 Ų | 146.7 | 71% | 0.713 | 78% | 0.778 | S | S | * | * | | | trans | 44.3 | 126.8 | 135.9 | 63.9 | 0 | 0 | 0 | 0 | 123 | | |
| 18 | H | 27.4 | Very low | 30.1 | Very low | 182 Ų | 182 | 144.4 Ų | 144.4 | 84% | 0.843 | 77% | 0.773 | S | S | * | * | | | | -15.5 | 157.1 | 125.2 | -73 | -45.4 | 0 | 0 | 0 | 116.4 | | |
| 19 | P | 37.9 | Very low | 30 | Very low | 102 Ų | 102 | 141.2 Ų | 141.2 | 66% | 0.662 | 75% | 0.746 | S | S | * | * | | | cis | -150.4 | 175.4 | 36.4 | 44.7 | -25.7 | 0 | 0 | 0 | 118.3 | | |
| 20 | N | 27.8 | Very low | 30 | Very low | 135 Ų | 135 | 137.2 Ų | 137.2 | 72% | 0.722 | 72% | 0.721 | S | S | * | * | | | trans | 56.6 | 155.4 | 138.6 | -69.9 | -3.3 | 0 | 0 | 0 | 122 | | |
| 21 | I | 28.1 | Very low | 30.1 | Very low | 120 Ų | 120 | 131 Ų | 131 | 62% | 0.615 | 70% | 0.703 | S | S | * | * | | | cis | -165.5 | 139.3 | -20.1 | -110.3 | 167.3 | 0 | 0 | 0 | 105.6 | | |
| 22 | R | 26.7 | Very low | 30.4 | Very low | 244 Ų | 244 | 124.4 Ų | 124.4 | 92% | 0.921 | 68% | 0.676 | S | S | * | * | | | trans | 57.8 | 141.3 | 172.6 | -71.1 | 163.7 | 171.6 | 164.7 | -5.8 | 114.8 | | |
| 23 | S | 36.6 | Very low | 30.7 | Very low | 100 Ų | 100 | 123.9 Ų | 123.9 | 70% | 0.699 | 66% | 0.663 | S | S | * | * | | | cis | -152.5 | 173.8 | 30.9 | 49.3 | 0 | 0 | 0 | 0 | 112.1 | | |
| 24 | H | 32.8 | Very low | 31.1 | Very low | 151 Ų | 151 | 121.2 Ų | 121.2 | 70% | 0.699 | 66% | 0.656 | S | S | * | * | | | trans | 43.2 | 109.7 | 166.1 | -70.7 | -74 | 0 | 0 | 0 | 119.8 | | |
| 25 | E | 31.3 | Very low | 31.2 | Very low | 142 Ų | 142 | 121.2 Ų | 121.2 | 66% | 0.664 | 65% | 0.652 | S | S | * | * | | | | 47.3 | 112.8 | 110.1 | -65.3 | 174 | 152 | 0 | 0 | 117.1 | | |
| 26 | H | 31.7 | Very low | 31.4 | Very low | 168 Ų | 168 | 118.7 Ų | 118.7 | 78% | 0.778 | 65% | 0.646 | S | S | * | * | | | | 65.7 | 122.2 | 86.2 | -59.4 | -28.6 | 0 | 0 | 0 | 112.7 | | |
| 27 | S | 28.4 | Very low | 31.2 | Very low | 86 Ų | 86 | 116 Ų | 116 | 60% | 0.601 | 64% | 0.642 | S | S | * | * | | | cis | -160.6 | 117 | 1.3 | -168.6 | 0 | 0 | 0 | 0 | 112.8 | K798 | S27-K798 PolarHBondContact OG-NZ 3.37Š|
| 28 | C | 25.2 | Very low | 31.3 | Very low | 100 Ų | 100 | 115.6 Ų | 115.6 | 68% | 0.676 | 64% | 0.64 | S | S | * | * | | | trans | -63 | 148.7 | 149.3 | -47.9 | 0 | 0 | 0 | 0 | 109.4 | K798 | C28-K798 WeakPolarHBondContact O-CE 3.41Å; C28-K798 PolarHBondContact O-NZ 3.39Å |
| 29 | N | 30.1 | Very low | 31.4 | Very low | 61 Ų | 61 | 111.7 Ų | 111.7 | 33% | 0.326 | 63% | 0.633 | S | S | . | * | | | | 166.3 | 131.2 | 121.2 | -86.9 | 14.4 | 0 | 0 | 0 | 109.2 | K798 V799 H800 | N29-K798 HydrophobicContact CB-CG 4.37Å; N29-K798 WeakPolarHBondContact ND2-CE 3.27Å; N29-K798 PolarHBondContact ND2-O 2.95Å; N29-V799 HydrophobicContact CB-CB 4.32Å; N29-V799 HydrophobicContact CB-CG1 3.74Å; N29-H800 CarbonylContact O-C 3.23Å; N29-H800 WeakPolarHBondContact O-CB 3.2Å; N29-H800 PolarHBondContact O-N 3.28Å |
| 30 | S | 30.9 | Very low | 31.1 | Very low | 33 Ų | 33 | 114.8 Ų | 114.8 | 23% | 0.231 | 64% | 0.638 | C | S | . | * | | | trans | -166.8 | 122 | -174.3 | -105.6 | 0 | 0 | 0 | 0 | 114.8 | H800 C801 T802 T803 | S30-H800 CarbonylContact C-O 3.57Å; S30-H800 WeakPolarHBondContact CA-O 3.31Å; S30-C801 VanDerWaalsContact OG-C 3.27Å; S30-T802 VanDerWaalsContact CA-N 3.29Å; S30-T802 WeakPolarHBondContact CB-OG1 3.23Å; S30-T802 CarbonylContact O-C 3.51Å; S30-T802 WeakPolarHBondContact OG-CB 3.28Å; S30-T802 PolarHBondContact OG-N 3.3Å; S30-T802 PolarHBondContact OG-OG1 2.9Å; S30-T803 VanDerWaalsContact C-N 3.35Å; S30-T803 WeakPolarHBondContact O-CB 3.12Å; S30-T803 PolarHBondContact O-N 3.48Å; S30-T803 PolarHBondContact O-OG1 3.35Å |
| 31 | E | 33.5 | Very low | 31.3 | Very low | 119 Ų | 119 | 114.6 Ų | 114.6 | 56% | 0.556 | 64% | 0.636 | S | S | * | * | | | trans | -113.2 | 128.4 | 165.5 | -63.4 | 156.1 | 135 | 0 | 0 | 113.3 | V799 H800 C801 T802 T803 | E31-V799 HydrophobicContact CG-CG1 4.44Å; E31-H800 PolarHBondContact N-O 2.8Å; E31-H800 VanDerWaalsContact N-O 3.16Å; E31-C801 CarbonylContact O-C 3.45Å; E31-C801 WeakPolarHBondContact O-CA 3.31Å; E31-C801 WeakPolarHBondContact O-CB 3.33Å; E31-T802 PolarHBondContact O-N 3.4Å; E31-T803 CarbonylContact C-O 3.53Å; E31-T803 VanDerWaalsContact C-O 3.28Å; E31-T803 WeakPolarHBondContact CA-O 3.41Å |
| 32 | I | 34.1 | Very low | 31.3 | Very low | 68 Ų | 68 | 115.9 Ų | 115.9 | 35% | 0.349 | 64% | 0.644 | S | S | . | * | | | trans | -95.2 | 151.9 | 175.3 | -24.9 | 168.1 | 0 | 0 | 0 | 106.8 | T802 T803 N804 E805 | I32-T802 WeakPolarHBondContact CG1-O 3.37Å; I32-T803 VanDerWaalsContact CG1-N 3.28Å; I32-T803 PolarHBondContact N-O 3.02Å; I32-N804 HydrophobicContact CB-CB 4.12Å; I32-N804 WeakPolarHBondContact CB-OD1 3.39Å; I32-N804 HydrophobicContact CD1-CB 3.88Å; I32-N804 HydrophobicContact CG1-CB 4.1Å; I32-N804 CarbonylContact O-C 2.84Å; I32-N804 VanDerWaalsContact O-C 3.31Å; I32-N804 WeakPolarHBondContact O-CA 3.38Å; I32-N804 PolarHBondContact O-OD1 3.08Å; I32-E805 PolarHBondContact O-N 3.28Å |
| 33 | I | 36.2 | Very low | 31.4 | Very low | 106 Ų | 106 | 109.5 Ų | 109.5 | 54% | 0.544 | 64% | 0.637 | S | S | . | * | | | trans | -143.4 | 153.4 | 144 | -87.2 | 112 | 0 | 0 | 0 | 106.4 | N806 | I33-N806 VanDerWaalsContact CG1-OD1 3.3Å; I33-N806 WeakPolarHBondContact CG1-OD1 3.44Å; I33-N806 WeakPolarHBondContact CG2-OD1 3.47Å |
| 34 | G | 35.6 | Very low | 31.1 | Very low | 62 Ų | 62 | 109.9 Ų | 109.9 | 64% | 0.639 | 64% | 0.639 | S | S | * | * | | | trans | 71.7 | 98.6 | 157.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 35 | V | 32.8 | Very low | 30.9 | Very low | 127 Ų | 127 | 110.9 Ų | 110.9 | 77% | 0.77 | 64% | 0.644 | S | S | * | * | | | trans | -94.1 | 137.9 | 171.5 | 166.4 | 0 | 0 | 0 | 0 | 110.8 | | |
| 36 | S | 30.2 | Very low | 31 | Very low | 97 Ų | 97 | 110.9 Ų | 110.9 | 68% | 0.678 | 65% | 0.648 | S | S | * | * | | | trans | 84.7 | 133.2 | 160.9 | -75.1 | 0 | 0 | 0 | 0 | 121.3 | | |
| 37 | T | 30.1 | Very low | 31.1 | Very low | 131 Ų | 131 | 108.2 Ų | 108.2 | 80% | 0.804 | 65% | 0.649 | S | S | * | * | | | trans | 69.8 | 135.1 | 145.6 | 50.2 | 0 | 0 | 0 | 0 | 119.9 | | |
| 38 | S | 30.5 | Very low | 31.2 | Very low | 94 Ų | 94 | 112.8 Ų | 112.8 | 66% | 0.657 | 66% | 0.661 | S | S | * | * | | | cis | -169.8 | 154.2 | -8 | 45 | 0 | 0 | 0 | 0 | 112.8 | | |
| 39 | S | 29.2 | Very low | 31.9 | Very low | 99 Ų | 99 | 112.5 Ų | 112.5 | 69% | 0.692 | 66% | 0.658 | S | S | * | * | | | trans | 61 | 152.5 | 150.3 | 56.1 | 0 | 0 | 0 | 0 | 118.3 | | |
| 40 | E | 30.7 | Very low | 32 | Very low | 167 Ų | 167 | 117.9 Ų | 117.9 | 78% | 0.78 | 68% | 0.681 | S | S | * | * | | | cis | -160.4 | -176.1 | 11.2 | -142.5 | 160.7 | -132.8 | 0 | 0 | 113.7 | | |
| 41 | I | 32 | Very low | 32.4 | Very low | 132 Ų | 132 | 123.5 Ų | 123.5 | 68% | 0.677 | 71% | 0.714 | S | S | * | * | | | trans | 86.4 | 101 | 154.6 | -70.3 | 153.6 | 0 | 0 | 0 | 120.1 | | |
| 42 | N | 28 | Very low | 32.3 | Very low | 147 Ų | 147 | 124.9 Ų | 124.9 | 79% | 0.786 | 72% | 0.723 | S | S | * | * | | | trans | 62.7 | 117.1 | 136.4 | -59.2 | -9.2 | 0 | 0 | 0 | 123.5 | | |
| 43 | S | 30 | Very low | 32.7 | Very low | 109 Ų | 109 | 131.2 Ų | 131.2 | 76% | 0.762 | 75% | 0.751 | S | S | * | * | | | | 179 | 150.3 | 93.4 | 47.3 | 0 | 0 | 0 | 0 | 115.2 | | |
| 44 | S | 29.8 | Very low | 32.5 | Very low | 108 Ų | 108 | 132.2 Ų | 132.2 | 76% | 0.755 | 76% | 0.758 | S | S | * | * | | | trans | 62.1 | 125.6 | 175.4 | 63 | 0 | 0 | 0 | 0 | 118 | | |
| 45 | H | 28.5 | Very low | 32.5 | Very low | 172 Ų | 172 | 138.2 Ų | 138.2 | 80% | 0.796 | 77% | 0.766 | S | S | * | * | | | cis | 88.3 | 95.5 | 36.6 | -75.7 | -71.5 | 0 | 0 | 0 | 116.1 | | |
| 46 | N | 32.7 | Very low | 32.8 | Very low | 142 Ų | 142 | 137.1 Ų | 137.1 | 76% | 0.759 | 76% | 0.762 | S | S | * | * | | | | 168.1 | 166.9 | 104.4 | -84 | -21.6 | 0 | 0 | 0 | 113.5 | | |
| 47 | S | 34.1 | Very low | 33.3 | Very low | 113 Ų | 113 | 138.7 Ų | 138.7 | 79% | 0.79 | 77% | 0.77 | S | S | * | * | | | trans | 60.7 | 99.5 | -171.5 | 50.9 | 0 | 0 | 0 | 0 | 114.4 | | |
| 48 | E | 30.8 | Very low | 33.4 | Very low | 181 Ų | 181 | 138.1 Ų | 138.1 | 85% | 0.846 | 77% | 0.771 | S | S | * | * | | | cis | 81.7 | 141 | 28.4 | -141 | -159.5 | 155.2 | 0 | 0 | 113.6 | | |
| 49 | P | 39.6 | Very low | 33.8 | Very low | 95 Ų | 95 | 138.9 Ų | 138.9 | 62% | 0.617 | 77% | 0.774 | S | S | * | * | | | | -133.9 | 177.6 | -55.9 | 42.8 | -30.4 | 0 | 0 | 0 | 115.4 | | |
| 50 | E | 32.8 | Very low | 33.8 | Very low | 173 Ų | 173 | 141.4 Ų | 141.4 | 81% | 0.808 | 78% | 0.779 | S | S | * | * | | | trans | 49.4 | 120.5 | 150.6 | -72.8 | -178.7 | 130.5 | 0 | 0 | 123.5 | | |
| 51 | V | 38.5 | Very low | 34.1 | Very low | 152 Ų | 152 | 139.6 Ų | 139.6 | 92% | 0.921 | 78% | 0.784 | S | S | * | * | | | trans | -132 | 146 | 138.1 | 176.8 | 0 | 0 | 0 | 0 | 107.9 | | |
| 52 | I | 32.6 | Very low | 34 | Very low | 148 Ų | 148 | 139.9 Ų | 139.9 | 76% | 0.759 | 79% | 0.787 | S | S | * | * | | | trans | -93.4 | 136.1 | -167.7 | -59.8 | 152.4 | 0 | 0 | 0 | 111.2 | | |
| 53 | E | 42.3 | Very low | 34 | Very low | 200 Ų | 200 | 139.2 Ų | 139.2 | 94% | 0.935 | 78% | 0.779 | S | S | * | * | | | trans | -148.6 | 113.9 | 149.5 | -137.2 | 171.1 | -147.8 | 0 | 0 | 115 | | |
| 54 | D | 32.4 | Very low | 34 | Very low | 128 Ų | 128 | 140.5 Ų | 140.5 | 68% | 0.684 | 77% | 0.773 | S | S | * | * | | | trans | -58.2 | 137 | 176.1 | 160.3 | 43.6 | 0 | 0 | 0 | 116.1 | | |
| 55 | K | 35.8 | Very low | 34 | Very low | 188 Ų | 188 | 140.7 Ų | 140.7 | 82% | 0.817 | 77% | 0.765 | S | S | * | * | | | trans | -169.4 | 160.1 | 138.5 | -105.4 | 151 | -171 | 161.6 | 0 | 114.7 | | |
| 56 | P | 37.8 | Very low | 34.1 | Very low | 104 Ų | 104 | 136.4 Ų | 136.4 | 68% | 0.675 | 77% | 0.767 | S | S | * | * | | | trans | -97.2 | 160 | -151.9 | 36.7 | -38.2 | 0 | 0 | 0 | 117 | | |
| 57 | P | 41.4 | Very low | 34 | Very low | 129 Ų | 129 | 136 Ų | 136 | 84% | 0.838 | 77% | 0.77 | S | S | * | * | | | trans | -75.5 | 163.8 | 172.9 | -13.5 | 30.3 | 0 | 0 | 0 | 114.8 | | |
| 58 | S | 32.5 | Very low | 33.9 | Very low | 119 Ų | 119 | 140 Ų | 140 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | | | trans | -104.6 | 167.3 | 177 | -73.1 | 0 | 0 | 0 | 0 | 113 | | |
| 59 | P | 38 | Very low | 33.7 | Very low | 111 Ų | 111 | 135 Ų | 135 | 72% | 0.721 | 76% | 0.759 | S | S | * | * | | | trans | -115.1 | -173.8 | -150.4 | 43.7 | -36.9 | 0 | 0 | 0 | 116.2 | | |
| 60 | L | 30.2 | Very low | 33.2 | Very low | 152 Ų | 152 | 135.1 Ų | 135.1 | 80% | 0.796 | 75% | 0.754 | S | S | * | * | | | trans | 75.3 | 90.7 | 160.3 | -61.5 | 172.1 | 0 | 0 | 0 | 119.1 | | |
| 61 | S | 36.9 | Very low | 33.1 | Very low | 128 Ų | 128 | 132.1 Ų | 132.1 | 90% | 0.895 | 75% | 0.746 | S | S | * | * | | | | -157.5 | 161.2 | 121.7 | -82.4 | 0 | 0 | 0 | 0 | 110 | | |
| 62 | L | 28.1 | Very low | 32.8 | Very low | 138 Ų | 138 | 129 Ų | 129 | 72% | 0.723 | 72% | 0.722 | S | S | * | * | | | trans | -112 | 146.2 | -156.8 | -70.7 | 158.2 | 0 | 0 | 0 | 113.7 | | |
| 63 | Q | 29.5 | Very low | 32.6 | Very low | 133 Ų | 133 | 125.7 Ų | 125.7 | 62% | 0.621 | 71% | 0.712 | S | S | * | * | | | trans | 41 | 138.1 | 131.9 | -56.1 | 172.8 | -33.9 | 0 | 0 | 118.6 | | |
| 64 | Q | 29.1 | Very low | 32.4 | Very low | 136 Ų | 136 | 120.6 Ų | 120.6 | 64% | 0.636 | 70% | 0.696 | S | S | * | * | | | | -151.8 | 140.8 | 52.3 | -76.1 | -172.2 | -86.8 | 0 | 0 | 115.7 | T1956 | Q64-T1956 VanDerWaalsContact NE2-CG2 3.33Š|
| 65 | D | 30.7 | Very low | 32.5 | Very low | 113 Ų | 113 | 120.5 Ų | 120.5 | 60% | 0.604 | 70% | 0.703 | S | S | * | * | | | | 48.5 | 113.4 | 127.8 | -44.1 | -29.4 | 0 | 0 | 0 | 120.5 | | |
| 66 | G | 29.9 | Very low | 32.6 | Very low | 81 Ų | 81 | 119.8 Ų | 119.8 | 84% | 0.835 | 70% | 0.7 | S | S | * | * | | | trans | -171.9 | 23.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 67 | V | 30.6 | Very low | 32.2 | Very low | 133 Ų | 133 | 121.6 Ų | 121.6 | 81% | 0.806 | 70% | 0.699 | S | S | * | * | | | trans | -93.6 | 129.8 | -169.4 | 175.9 | 0 | 0 | 0 | 0 | 111.6 | | |
| 68 | F | 31.7 | Very low | 31.6 | Very low | 197 Ų | 197 | 120.9 Ų | 120.9 | 86% | 0.864 | 69% | 0.689 | S | S | * | * | | | trans | -106.1 | 119.2 | 153.4 | -101.5 | -84.5 | 0 | 0 | 0 | 110.2 | | |
| 69 | S | 28.3 | Very low | 31.6 | Very low | 78 Ų | 78 | 121 Ų | 121 | 55% | 0.545 | 68% | 0.68 | S | S | . | * | | | trans | 64.4 | 110.3 | 148.1 | -62.4 | 0 | 0 | 0 | 0 | 116.8 | | |
| 70 | L | 28 | Very low | 31 | Very low | 97 Ų | 97 | 122.8 Ų | 122.8 | 51% | 0.508 | 68% | 0.679 | S | S | . | * | | | | 176.3 | 157.4 | 64.7 | -108.6 | -5.1 | 0 | 0 | 0 | 112.1 | P717 K718 | L70-P717 HydrophobicContact CB-CB 3.4Å; L70-P717 VanDerWaalsContact CB-CB 3.4Å; L70-P717 HydrophobicContact CB-CG 4.47Å; L70-P717 HydrophobicContact CD1-CB 3.84Å; L70-P717 HydrophobicContact CD1-CG 4.29Å; L70-P717 HydrophobicContact CG-CB 3.53Å; L70-P717 HydrophobicContact CG-CG 4.49Å; L70-K718 WeakPolarHBondContact O-CG 3.44Å |
| 71 | V | 31 | Very low | 31.1 | Very low | 109 Ų | 109 | 122 Ų | 122 | 66% | 0.661 | 68% | 0.675 | S | S | * | * | | | trans | -117.6 | -1 | -170.7 | 71.2 | 0 | 0 | 0 | 0 | 128.5 | P717 K718 | V71-P717 HydrophobicContact CB-CG 4.22Å; V71-P717 HydrophobicContact CG1-CG 3.69Å; V71-K718 VanDerWaalsContact CA-CG 3.45Å; V71-K718 VanDerWaalsContact O-CD 3.26Å; V71-K718 WeakPolarHBondContact O-CD 3.37Å; V71-K718 VanDerWaalsContact O-CE 3.32Å; V71-K718 WeakPolarHBondContact O-CE 3.4Å; V71-K718 PolarHBondContact O-NZ 2.94Å |
| 72 | Q | 31 | Very low | 30.7 | Very low | 86 Ų | 86 | 123.1 Ų | 123.1 | 40% | 0.402 | 67% | 0.67 | S | S | . | * | | | trans | -66.5 | 129.2 | 176 | -107.7 | -145.8 | 89.9 | 0 | 0 | 119.7 | F716 P717 K718 | Q72-F716 HydrophobicContact CG-CB 4.17Å; Q72-F716 HydrophobicContact CG-CD1 3.64Å; Q72-F716 HydrophobicContact CG-CG 4.3Å; Q72-P717 HydrophobicContact CB-CB 4.2Å; Q72-P717 HydrophobicContact CB-CG 4.43Å; Q72-P717 WeakPolarHBondContact CB-O 3.34Å; Q72-P717 VanDerWaalsContact CG-CD 3.5Å; Q72-P717 VanDerWaalsContact N-CB 3.34Å; Q72-P717 PolarHBondContact NE2-O 3.39Å; Q72-P717 VanDerWaalsContact NE2-O 3.12Å; Q72-K718 VanDerWaalsContact C-CD 3.45Å; Q72-K718 HydrophobicContact CB-CB 3.82Å; Q72-K718 VanDerWaalsContact N-CB 3.26Å; Q72-K718 VanDerWaalsContact N-CG 3.26Å; Q72-K718 WeakPolarHBondContact O-CB 3.41Å; Q72-K718 WeakPolarHBondContact O-CD 3.42Å; Q72-K718 VanDerWaalsContact O-CG 3.29Å; Q72-K718 WeakPolarHBondContact O-CG 3.23Å |
| 73 | S | 28.6 | Very low | 30.8 | Very low | 79 Ų | 79 | 122.1 Ų | 122.1 | 55% | 0.552 | 68% | 0.675 | S | S | * | * | | | | 91.6 | 147.7 | 73.9 | -59.1 | 0 | 0 | 0 | 0 | 115 | | |
| 74 | P | 39.5 | Very low | 30.7 | Very low | 94 Ų | 94 | 122.8 Ų | 122.8 | 61% | 0.61 | 69% | 0.688 | S | S | * | * | | | | -138.8 | 171.8 | -85.5 | 30.6 | -8.2 | 0 | 0 | 0 | 115.2 | | |
| 75 | P | 34.9 | Very low | 30.8 | Very low | 125 Ų | 125 | 121.4 Ų | 121.4 | 81% | 0.812 | 69% | 0.693 | S | S | * | * | | | trans | -81.4 | 126.6 | 165.3 | 32.3 | -31.4 | 0 | 0 | 0 | 111.7 | | |
| 76 | F | 37.4 | Very low | 31.2 | Very low | 173 Ų | 173 | 121.4 Ų | 121.4 | 76% | 0.759 | 70% | 0.699 | S | S | * | * | | | trans | -81.6 | 136.8 | 152.8 | -72.1 | -91.9 | 0 | 0 | 0 | 107.7 | | |
| 77 | E | 28.6 | Very low | 31 | Very low | 142 Ų | 142 | 126.2 Ų | 126.2 | 66% | 0.664 | 70% | 0.7 | S | S | * | * | | | | 76.3 | 125.1 | 61.5 | -130.6 | -160.4 | 143.3 | 0 | 0 | 113.8 | | |
| 78 | N | 29.5 | Very low | 30.9 | Very low | 115 Ų | 115 | 127.2 Ų | 127.2 | 62% | 0.615 | 70% | 0.701 | S | S | * | * | | | trans | 74.5 | 110.6 | 156.3 | -58.8 | -24.2 | 0 | 0 | 0 | 122.1 | | |
| 79 | D | 31.4 | Very low | 30.9 | Very low | 122 Ų | 122 | 126.4 Ų | 126.4 | 65% | 0.652 | 70% | 0.7 | S | S | * | * | | | | 97.5 | 117.7 | 115.6 | -83.4 | -45.1 | 0 | 0 | 0 | 122.7 | | |
| 80 | Q | 26.5 | Very low | 31.1 | Very low | 148 Ų | 148 | 129 Ų | 129 | 69% | 0.692 | 71% | 0.707 | S | S | * | * | | | | 88.9 | 127.2 | 125.9 | -81.4 | 169.1 | 59.8 | 0 | 0 | 123.3 | | |
| 81 | L | 32.5 | Very low | 31 | Very low | 136 Ų | 136 | 130.4 Ų | 130.4 | 71% | 0.712 | 73% | 0.725 | S | S | * | * | | | trans | 80.1 | 108.1 | 140.9 | -66.6 | 166.7 | 0 | 0 | 0 | 120.2 | | |
| 82 | D | 27.6 | Very low | 30.9 | Very low | 150 Ų | 150 | 130.8 Ų | 130.8 | 80% | 0.802 | 72% | 0.723 | S | S | * | * | | | trans | -3.2 | 118.6 | 131.7 | -65 | -59.7 | 0 | 0 | 0 | 117.1 | | |
| 83 | S | 31.2 | Very low | 31 | Very low | 117 Ų | 117 | 133.8 Ų | 133.8 | 82% | 0.818 | 74% | 0.741 | S | S | * | * | | | | -171.5 | 135.4 | 117.8 | 35.9 | 0 | 0 | 0 | 0 | 111.9 | | |
| 84 | V | 26 | Very low | 30.9 | Very low | 147 Ų | 147 | 136.4 Ų | 136.4 | 89% | 0.891 | 75% | 0.748 | S | S | * | * | | | trans | -109.6 | 104.3 | 176 | 176.5 | 0 | 0 | 0 | 0 | 109.5 | | |
| 85 | S | 31.9 | Very low | 30.4 | Very low | 108 Ų | 108 | 138 Ų | 138 | 76% | 0.755 | 75% | 0.75 | S | S | * | * | | | trans | 68.1 | 159.6 | 170.2 | -129.6 | 0 | 0 | 0 | 0 | 115.5 | | |
| 86 | P | 40 | Very low | 30.3 | Very low | 113 Ų | 113 | 140.9 Ų | 140.9 | 73% | 0.734 | 75% | 0.753 | S | S | * | * | | | cis | -125.3 | -173.7 | 4.2 | 42.8 | -27.6 | 0 | 0 | 0 | 115.3 | N88 | P86-N88 PolarHBondContact O-N 3.18Š|
| 87 | E | 26 | Very low | 30.1 | Very low | 182 Ų | 182 | 137.1 Ų | 137.1 | 85% | 0.85 | 75% | 0.747 | S | S | * | * | | | trans | -47.7 | 124.7 | 178.8 | -55.9 | 171.3 | 131 | 0 | 0 | 114.2 | | |
| 88 | N | 26.6 | Very low | 30.1 | Very low | 153 Ų | 153 | 137.2 Ų | 137.2 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | | | trans | -172.5 | 101.1 | 151.5 | -107.9 | -61.2 | 0 | 0 | 0 | 111.3 | P86 | P86-N88 PolarHBondContact O-N 3.18Š|
| 89 | Q | 32.5 | Very low | 30.2 | Very low | 180 Ų | 180 | 138.6 Ų | 138.6 | 84% | 0.841 | 76% | 0.76 | S | S | * | * | | | trans | -177.3 | 147.5 | 144.1 | -105.8 | 162.4 | 99.3 | 0 | 0 | 115 | | |
| 90 | L | 32.9 | Very low | 30 | Very low | 134 Ų | 134 | 140.2 Ų | 140.2 | 70% | 0.702 | 76% | 0.764 | S | S | * | * | | | trans | 60.5 | 58.3 | 147.6 | -59.8 | 172.7 | 0 | 0 | 0 | 119.8 | N92 | L90-N92 HydrophobicContact CD2-CB 4.19Š|
| 91 | S | 24.8 | Very low | 30.3 | Very low | 125 Ų | 125 | 138.2 Ų | 138.2 | 87% | 0.874 | 76% | 0.762 | S | S | * | * | | | trans | -97.4 | 84.1 | 138.1 | 65 | 0 | 0 | 0 | 0 | 109.3 | | |
| 92 | N | 29.7 | Very low | 30.2 | Very low | 118 Ų | 118 | 138.7 Ų | 138.7 | 63% | 0.631 | 76% | 0.764 | S | S | * | * | | | trans | -136.1 | 128.1 | -171.9 | -135.1 | -6.1 | 0 | 0 | 0 | 109.3 | L90 | L90-N92 HydrophobicContact CD2-CB 4.19Š|
| 93 | L | 33.3 | Very low | 30.4 | Very low | 148 Ų | 148 | 137.9 Ų | 137.9 | 78% | 0.775 | 76% | 0.759 | S | S | * | * | | | trans | 64 | 154.3 | 172.5 | -81.4 | 61.3 | 0 | 0 | 0 | 116.6 | | |
| 94 | L | 26.4 | Very low | 30.4 | Very low | 134 Ų | 134 | 139.7 Ų | 139.7 | 70% | 0.702 | 76% | 0.759 | S | S | * | * | | | cis | -156.6 | 120.7 | -31.7 | -157.7 | 65.1 | 0 | 0 | 0 | 111.6 | | |
| 95 | I | 28.4 | Very low | 30.5 | Very low | 128 Ų | 128 | 140.3 Ų | 140.3 | 66% | 0.656 | 76% | 0.757 | S | S | * | * | | | trans | 32.6 | 123.2 | 142.9 | -50.6 | 169.3 | 0 | 0 | 0 | 119 | | |
| 96 | H | 34 | Very low | 30.3 | Very low | 186 Ų | 186 | 140.5 Ų | 140.5 | 86% | 0.861 | 76% | 0.758 | S | S | * | * | | | | 177.6 | 119 | 121 | -95.2 | 73.3 | 0 | 0 | 0 | 108.9 | | |
| 97 | S | 32.7 | Very low | 29.8 | Very low | 93 Ų | 93 | 138.5 Ų | 138.5 | 65% | 0.65 | 76% | 0.757 | S | S | * | * | | | cis | -158.2 | 149.4 | -15.4 | 52.4 | 0 | 0 | 0 | 0 | 112.1 | | |
| 98 | N | 29.1 | Very low | 30.1 | Very low | 144 Ų | 144 | 137 Ų | 137 | 77% | 0.77 | 75% | 0.754 | S | S | * | * | | | trans | 54.1 | 93.9 | 156.7 | -60 | -11.2 | 0 | 0 | 0 | 122.1 | | |
| 99 | N | 29.9 | Very low | 30.2 | Very low | 144 Ų | 144 | 137.3 Ų | 137.3 | 77% | 0.77 | 76% | 0.755 | S | S | * | * | | | | 166.8 | 144.2 | 120 | -87.8 | -22.4 | 0 | 0 | 0 | 111.4 | | |
| 100 | Q | 28.1 | Very low | 29.9 | Very low | 156 Ų | 156 | 133.4 Ų | 133.4 | 73% | 0.729 | 75% | 0.748 | S | S | * | * | | | cis | -164 | 142.8 | -20.2 | -148.9 | 174.3 | 32.5 | 0 | 0 | 110.4 | | |
| 101 | T | 33 | Very low | 29.6 | Very low | 107 Ų | 107 | 133 Ų | 133 | 66% | 0.656 | 75% | 0.752 | S | S | * | * | | | trans | 63.4 | 138.2 | 152 | 34 | 0 | 0 | 0 | 0 | 124.6 | | |
| 102 | L | 29.6 | Very low | 29.8 | Very low | 145 Ų | 145 | 133 Ų | 133 | 76% | 0.759 | 75% | 0.745 | S | S | * | * | | | trans | 70.3 | 154.4 | 142.7 | -63.6 | 154.8 | 0 | 0 | 0 | 121.2 | | |
| 103 | I | 32.6 | Very low | 29.8 | Very low | 134 Ų | 134 | 132.5 Ų | 132.5 | 69% | 0.687 | 75% | 0.747 | S | S | * | * | | | | -166.6 | 152.6 | -50.5 | -125.2 | 164.9 | 0 | 0 | 0 | 112.6 | | |
| 104 | N | 30.2 | Very low | 29.8 | Very low | 155 Ų | 155 | 132.2 Ų | 132.2 | 83% | 0.829 | 75% | 0.746 | S | S | * | * | | | trans | 65 | 148.9 | 161.1 | -75.2 | -4.3 | 0 | 0 | 0 | 123.2 | | |
| 105 | L | 28.4 | Very low | 30.1 | Very low | 160 Ų | 160 | 134.5 Ų | 134.5 | 84% | 0.838 | 75% | 0.754 | S | S | * | * | | | trans | -95.8 | 169.3 | 176.1 | -65.9 | 149.8 | 0 | 0 | 0 | 111.5 | | |
| 106 | S | 27.7 | Very low | 30.1 | Very low | 112 Ų | 112 | 137.4 Ų | 137.4 | 78% | 0.783 | 76% | 0.761 | S | S | * | * | | | trans | 62.8 | 153.6 | 152.7 | 73 | 0 | 0 | 0 | 0 | 119 | | |
| 107 | G | 29 | Very low | 29.9 | Very low | 70 Ų | 70 | 140.3 Ų | 140.3 | 72% | 0.722 | 77% | 0.765 | S | S | * | * | | | trans | -99.9 | 132.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 108 | I | 32.3 | Very low | 29.7 | Very low | 152 Ų | 152 | 143.1 Ų | 143.1 | 78% | 0.779 | 77% | 0.767 | S | S | * | * | | | trans | -126.9 | 123.5 | 149.2 | -65.2 | 89.3 | 0 | 0 | 0 | 106.5 | | |
| 109 | N | 30.3 | Very low | 29.8 | Very low | 158 Ų | 158 | 144.6 Ų | 144.6 | 85% | 0.845 | 77% | 0.769 | S | S | * | * | | | trans | -87.2 | 115.6 | -178.5 | -72.1 | -40.3 | 0 | 0 | 0 | 110.9 | | |
| 110 | S | 24.6 | Very low | 29.8 | Very low | 99 Ų | 99 | 143.4 Ų | 143.4 | 69% | 0.692 | 77% | 0.767 | S | S | * | * | | | trans | -160.6 | 113.9 | 162.4 | -89.9 | 0 | 0 | 0 | 0 | 110 | | |
| 111 | T | 26.6 | Very low | 30.1 | Very low | 126 Ų | 126 | 141.3 Ų | 141.3 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | | | | 79 | 149 | 79 | 64.8 | 0 | 0 | 0 | 0 | 114.8 | | |
| 112 | V | 29.6 | Very low | 29.9 | Very low | 123 Ų | 123 | 142.3 Ų | 142.3 | 75% | 0.745 | 77% | 0.767 | S | S | * | * | | | trans | 88.2 | 82.6 | 165.9 | -167.2 | 0 | 0 | 0 | 0 | 118.7 | | |
| 113 | T | 29.8 | Very low | 30 | Very low | 108 Ų | 108 | 142.3 Ų | 142.3 | 66% | 0.663 | 77% | 0.773 | S | S | * | * | | | trans | 46.3 | 127.7 | 130.6 | 62.7 | 0 | 0 | 0 | 0 | 123.6 | | |
| 114 | D | 32.8 | Very low | 29.6 | Very low | 143 Ų | 143 | 142.5 Ų | 142.5 | 77% | 0.765 | 78% | 0.776 | S | S | * | * | | | | 56.2 | 152.1 | 125.6 | -55.5 | -56.7 | 0 | 0 | 0 | 121.3 | | |
| 115 | Q | 32.7 | Very low | 29.5 | Very low | 182 Ų | 182 | 138.8 Ų | 138.8 | 85% | 0.85 | 77% | 0.767 | S | S | * | * | | | cis | -141.4 | 125.2 | 27.5 | -66.4 | 173.4 | 14.1 | 0 | 0 | 115 | | |
| 116 | K | 30 | Very low | 29.4 | Very low | 189 Ų | 189 | 142.2 Ų | 142.2 | 82% | 0.822 | 77% | 0.768 | S | S | * | * | | | | 15.8 | 114.3 | 126.5 | -171.6 | -179.1 | -175.2 | 179.4 | 0 | 118.5 | | |
| 117 | R | 29.9 | Very low | 29.5 | Very low | 246 Ų | 246 | 143.3 Ų | 143.3 | 93% | 0.928 | 77% | 0.766 | S | S | * | * | | | trans | -136.3 | 152.3 | 139 | -159.5 | 166.7 | -171.7 | 170.2 | 4.8 | 111.3 | | |
| 118 | E | 26.8 | Very low | 29.7 | Very low | 152 Ų | 152 | 144.8 Ų | 144.8 | 71% | 0.71 | 76% | 0.763 | S | S | * | * | | | trans | -112 | 137.7 | -161.5 | 169.2 | 179.7 | -151.3 | 0 | 0 | 111.2 | | |
| 119 | H | 32.3 | Very low | 29.5 | Very low | 175 Ų | 175 | 144.7 Ų | 144.7 | 81% | 0.81 | 76% | 0.763 | S | S | * | * | | | trans | -154.8 | 112.4 | 153 | -101 | -62.7 | 0 | 0 | 0 | 111.4 | | |
| 120 | V | 29.8 | Very low | 29.4 | Very low | 120 Ų | 120 | 143.8 Ų | 143.8 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | | | trans | -108.5 | 123 | 157.4 | 172.8 | 0 | 0 | 0 | 0 | 107.6 | I122 | V120-I122 HydrophobicContact CG1-CG1 4.07Š|
| 121 | P | 33.3 | Very low | 29.4 | Very low | 112 Ų | 112 | 147.5 Ų | 147.5 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | | | trans | -107.9 | 145.9 | 146.1 | -10.2 | 29.6 | 0 | 0 | 0 | 111.1 | | |
| 122 | I | 29.5 | Very low | 29.5 | Very low | 128 Ų | 128 | 148.8 Ų | 148.8 | 66% | 0.656 | 77% | 0.767 | S | S | * | * | | | trans | -99.6 | 143.8 | -177.5 | -66.3 | 161.2 | 0 | 0 | 0 | 109.7 | V120 | V120-I122 HydrophobicContact CG1-CG1 4.07Š|
| 123 | T | 31.2 | Very low | 29.3 | Very low | 145 Ų | 145 | 151.2 Ų | 151.2 | 89% | 0.89 | 77% | 0.772 | S | S | * | * | | | trans | -139.7 | 92 | 154.2 | -18.3 | 0 | 0 | 0 | 0 | 111.7 | | |
| 124 | N | 25.2 | Very low | 29.4 | Very low | 138 Ų | 138 | 152.7 Ų | 152.7 | 74% | 0.738 | 78% | 0.781 | S | S | * | * | | | trans | -60.4 | 163.4 | 161.2 | -79 | -48.3 | 0 | 0 | 0 | 111.1 | | |
| 125 | A | 28.2 | Very low | 29.3 | Very low | 77 Ų | 77 | 151.6 Ų | 151.6 | 64% | 0.636 | 78% | 0.784 | S | S | * | * | | | cis | -177.9 | -177.4 | -17.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 126 | R | 25.8 | Very low | 29.1 | Very low | 231 Ų | 231 | 147.6 Ų | 147.6 | 87% | 0.872 | 78% | 0.777 | S | S | * | * | | | trans | 71.2 | 156.9 | 169 | -76.9 | -179.6 | 162 | 128.4 | -3.4 | 115.3 | | |
| 127 | N | 30.2 | Very low | 29.3 | Very low | 136 Ų | 136 | 147.5 Ų | 147.5 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | | | cis | -145.7 | 141.3 | 12.4 | -142.5 | 18.2 | 0 | 0 | 0 | 112.5 | | |
| 128 | P | 31.9 | Very low | 29.1 | Very low | 101 Ų | 101 | 147 Ų | 147 | 66% | 0.656 | 78% | 0.777 | S | S | * | * | | | trans | -103.7 | 139.4 | 170.7 | 35.9 | -29.2 | 0 | 0 | 0 | 112.8 | | |
| 129 | N | 29.1 | Very low | 29.2 | Very low | 149 Ų | 149 | 143.2 Ų | 143.2 | 80% | 0.797 | 77% | 0.772 | S | S | * | * | | | trans | -173.3 | 164.6 | 141.5 | -117.3 | -70.2 | 0 | 0 | 0 | 115.9 | | |
| 130 | L | 28.3 | Very low | 29 | Very low | 139 Ų | 139 | 142.2 Ų | 142.2 | 73% | 0.728 | 77% | 0.773 | S | S | * | * | | | trans | 61.1 | 78.3 | 157 | -68.3 | 163.4 | 0 | 0 | 0 | 118.7 | | |
| 131 | Q | 25.2 | Very low | 28.9 | Very low | 178 Ų | 178 | 142.2 Ų | 142.2 | 83% | 0.832 | 78% | 0.778 | S | S | * | * | | | | 16.2 | 124.3 | 118.2 | -62.7 | 171.1 | -26.6 | 0 | 0 | 117.4 | | |
| 132 | N | 28.1 | Very low | 28.7 | Very low | 153 Ų | 153 | 144.1 Ų | 144.1 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | | | | -153.7 | 156.7 | 127.7 | -125.9 | -13.1 | 0 | 0 | 0 | 114.5 | | |
| 133 | M | 25.8 | Very low | 28.7 | Very low | 173 Ų | 173 | 143.9 Ų | 143.9 | 85% | 0.852 | 80% | 0.797 | S | S | * | * | | | trans | -41.3 | 137.6 | -172.2 | -55.1 | 161.4 | 85.4 | 0 | 0 | 117.5 | | |
| 134 | T | 32.1 | Very low | 28.5 | Very low | 139 Ų | 139 | 140.2 Ų | 140.2 | 85% | 0.853 | 79% | 0.788 | S | S | * | * | | | trans | -138.4 | 131.9 | 153.9 | 44.9 | 0 | 0 | 0 | 0 | 110.5 | | |
| 135 | S | 29.6 | Very low | 28.9 | Very low | 120 Ų | 120 | 141.4 Ų | 141.4 | 84% | 0.839 | 79% | 0.794 | S | S | * | * | | | trans | -152.1 | 142.1 | 170.7 | -69.1 | 0 | 0 | 0 | 0 | 108.8 | | |
| 136 | S | 28.7 | Very low | 28.9 | Very low | 99 Ų | 99 | 143.8 Ų | 143.8 | 69% | 0.692 | 80% | 0.8 | S | S | * | * | | | trans | 53.7 | 105.9 | 176 | -83.8 | 0 | 0 | 0 | 0 | 119.4 | | |
| 137 | E | 33.7 | Very low | 29.3 | Very low | 187 Ų | 187 | 138.5 Ų | 138.5 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | | | | 80.8 | 172.5 | 121.2 | -69.6 | 165.3 | 114.9 | 0 | 0 | 120.5 | | |
| 138 | R | 25.9 | Very low | 29.2 | Very low | 235 Ų | 235 | 139.1 Ų | 139.1 | 89% | 0.887 | 80% | 0.802 | S | S | * | * | | | trans | -144.7 | 133.3 | -140.9 | 166.9 | 178.8 | 172.5 | 135.3 | -0.8 | 111.5 | | |
| 139 | A | 29.2 | Very low | 29.7 | Very low | 73 Ų | 73 | 139.1 Ų | 139.1 | 60% | 0.603 | 80% | 0.802 | S | S | * | * | | | trans | 62.1 | 124 | 159.5 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 140 | N | 29 | Very low | 29.9 | Very low | 154 Ų | 154 | 139.7 Ų | 139.7 | 82% | 0.824 | 81% | 0.805 | S | S | * | * | | | | -154.9 | 159.4 | 89.1 | -97.8 | -32.5 | 0 | 0 | 0 | 113.3 | | |
| 141 | S | 28 | Very low | 29.9 | Very low | 119 Ų | 119 | 138.2 Ų | 138.2 | 83% | 0.832 | 81% | 0.806 | S | S | * | * | | | trans | 68.3 | 123.6 | 167.9 | -55.5 | 0 | 0 | 0 | 0 | 118.4 | | |
| 142 | V | 27.6 | Very low | 30.8 | Very low | 153 Ų | 153 | 135 Ų | 135 | 93% | 0.927 | 80% | 0.8 | S | S | * | * | | | trans | -136.7 | 108.6 | 178.5 | 173.2 | 0 | 0 | 0 | 0 | 110.5 | | |
| 143 | S | 29.5 | Very low | 31 | Very low | 122 Ų | 122 | 134.4 Ų | 134.4 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | | | trans | 172.3 | 131.7 | 157.1 | 174.1 | 0 | 0 | 0 | 0 | 107.7 | | |
| 144 | G | 28.6 | Very low | 31.1 | Very low | 68 Ų | 68 | 132 Ų | 132 | 70% | 0.701 | 79% | 0.792 | S | S | * | * | | | cis | 121.5 | 89.3 | -16.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 145 | D | 33.4 | Very low | 31.3 | Very low | 163 Ų | 163 | 131.7 Ų | 131.7 | 87% | 0.872 | 79% | 0.789 | S | S | * | * | | | trans | -154.3 | 168 | 143.4 | -135.2 | -29.2 | 0 | 0 | 0 | 113.7 | | |
| 146 | V | 28 | Very low | 31.2 | Very low | 127 Ų | 127 | 135 Ų | 135 | 77% | 0.77 | 79% | 0.788 | S | S | * | * | | | trans | -105 | 140.7 | -146.6 | 173.9 | 0 | 0 | 0 | 0 | 115.7 | | |
| 147 | S | 33 | Very low | 31.3 | Very low | 120 Ų | 120 | 135.5 Ų | 135.5 | 84% | 0.839 | 79% | 0.792 | S | S | * | * | | | trans | -154.4 | 123.8 | 145.6 | 65.4 | 0 | 0 | 0 | 0 | 114.1 | | |
| 148 | N | 29.6 | Very low | 30.9 | Very low | 150 Ų | 150 | 135.3 Ų | 135.3 | 80% | 0.802 | 79% | 0.789 | S | S | * | * | | | trans | -114.2 | 178.6 | 168.8 | -148.3 | 16.4 | 0 | 0 | 0 | 106.7 | | |
| 149 | P | 41.8 | Very low | 31 | Very low | 100 Ų | 100 | 135.4 Ų | 135.4 | 65% | 0.649 | 79% | 0.789 | S | S | * | * | | | cis | -137.6 | 171.1 | -5 | 43.1 | -26.9 | 0 | 0 | 0 | 116.3 | | |
| 150 | N | 33.2 | Very low | 31.1 | Very low | 161 Ų | 161 | 141.4 Ų | 141.4 | 86% | 0.861 | 80% | 0.801 | S | S | * | * | | | | -166.5 | 163.8 | 129.4 | -123.5 | -37.1 | 0 | 0 | 0 | 115.4 | | |
| 151 | C | 28.8 | Very low | 31.4 | Very low | 109 Ų | 109 | 140.3 Ų | 140.3 | 74% | 0.736 | 80% | 0.803 | S | S | * | * | | | trans | -160.3 | 173 | -179.4 | -150.3 | 0 | 0 | 0 | 0 | 107.9 | | |
| 152 | P | 44.1 | Very low | 31.3 | Very low | 110 Ų | 110 | 144 Ų | 144 | 71% | 0.714 | 80% | 0.804 | S | S | * | * | | | cis | -120.4 | -166.4 | -16.7 | 43.1 | -28.6 | 0 | 0 | 0 | 111.7 | | |
| 153 | D | 32.3 | Very low | 31.6 | Very low | 141 Ų | 141 | 148 Ų | 148 | 75% | 0.754 | 80% | 0.804 | S | S | * | * | | | | 174.1 | 166.2 | 105.4 | -151.9 | -5.4 | 0 | 0 | 0 | 112.5 | | |
| 154 | V | 27.2 | Very low | 31.7 | Very low | 123 Ų | 123 | 147 Ų | 147 | 75% | 0.745 | 80% | 0.797 | S | S | * | * | | | trans | -137.4 | 116.5 | -178.5 | 177.1 | 0 | 0 | 0 | 0 | 111.8 | | |
| 155 | V | 35.5 | Very low | 32.1 | Very low | 132 Ų | 132 | 148.9 Ų | 148.9 | 80% | 0.8 | 80% | 0.797 | S | S | * | * | | | trans | -118 | 131.7 | 178.5 | -177.5 | 0 | 0 | 0 | 0 | 112.5 | | |
| 156 | K | 28.1 | Very low | 32.1 | Very low | 188 Ų | 188 | 152.1 Ų | 152.1 | 82% | 0.817 | 80% | 0.797 | S | S | * | * | | | trans | -101.3 | 134.5 | 177 | -57.8 | 166.2 | -177.1 | 167.8 | 0 | 110.3 | | |
| 157 | S | 30 | Very low | 32.1 | Very low | 110 Ų | 110 | 153 Ų | 153 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | | | trans | -155.7 | 104.8 | 159.1 | -155.1 | 0 | 0 | 0 | 0 | 116.6 | | |
| 158 | F | 27 | Very low | 31.7 | Very low | 184 Ų | 184 | 152.4 Ų | 152.4 | 81% | 0.807 | 79% | 0.793 | S | S | * | * | | | trans | 34.4 | 140 | 134.4 | -71.5 | -76 | 0 | 0 | 0 | 126 | | |
| 159 | R | 27.7 | Very low | 31.6 | Very low | 236 Ų | 236 | 151.3 Ų | 151.3 | 89% | 0.891 | 79% | 0.791 | S | S | * | * | | | trans | 92 | 119.8 | 142.2 | -79.7 | 172.5 | -175.2 | -169.4 | 2.7 | 121.4 | | |
| 160 | K | 31.3 | Very low | 30.9 | Very low | 199 Ų | 199 | 151.1 Ų | 151.1 | 87% | 0.865 | 79% | 0.792 | S | S | * | * | | | trans | -72.6 | 158.2 | 150.1 | -56.4 | 174.4 | 175 | 174.5 | 0 | 109.4 | | |
| 161 | P | 34 | Very low | 30.8 | Very low | 131 Ų | 131 | 152 Ų | 152 | 85% | 0.851 | 79% | 0.791 | S | S | * | * | | | | -144.9 | -177.6 | 83.7 | 38.4 | -20.7 | 0 | 0 | 0 | 115.4 | | |
| 162 | K | 26.2 | Very low | 30.9 | Very low | 196 Ų | 196 | 154.2 Ų | 154.2 | 85% | 0.852 | 79% | 0.791 | S | S | * | * | | | trans | -82 | 150.7 | -177.4 | -51.8 | 171.6 | -179.7 | 177.9 | 0 | 112.7 | | |
| 163 | Y | 35.2 | Very low | 30.1 | Very low | 239 Ų | 239 | 154.9 Ų | 154.9 | 94% | 0.937 | 80% | 0.795 | S | S | * | * | | | trans | -151.8 | 167.8 | 144 | -108.4 | -79.2 | 0 | 0 | 0 | 111.3 | | |
| 164 | S | 30.3 | Very low | 30.1 | Very low | 100 Ų | 100 | 155.7 Ų | 155.7 | 70% | 0.699 | 80% | 0.798 | S | S | * | * | | | trans | -145.1 | 159.2 | 176.7 | -171.7 | 0 | 0 | 0 | 0 | 105.1 | | |
| 165 | P | 38 | Very low | 30 | Very low | 107 Ų | 107 | 155 Ų | 155 | 70% | 0.695 | 79% | 0.794 | S | S | * | * | | | cis | -148 | -157 | 26.9 | 43.9 | -22 | 0 | 0 | 0 | 115.8 | | |
| 166 | R | 32.8 | Very low | 29.6 | Very low | 232 Ų | 232 | 155.2 Ų | 155.2 | 88% | 0.875 | 79% | 0.791 | S | S | * | * | | | trans | 102.6 | 133.7 | 148.2 | -98.5 | -177.3 | -176.8 | -164.5 | 0.8 | 120.4 | | |
| 167 | D | 27.8 | Very low | 29.4 | Very low | 145 Ų | 145 | 151.4 Ų | 151.4 | 78% | 0.775 | 79% | 0.788 | S | S | * | * | | | trans | -83.1 | 155.5 | 175.9 | -49 | -95.5 | 0 | 0 | 0 | 114.1 | | |
| 168 | S | 24.1 | Very low | 29.5 | Very low | 108 Ų | 108 | 153 Ų | 153 | 76% | 0.755 | 79% | 0.792 | S | S | * | * | | | trans | 47.7 | 122.6 | 139.3 | -56.1 | 0 | 0 | 0 | 0 | 121 | | |
| 169 | V | 28.7 | Very low | 29.4 | Very low | 127 Ų | 127 | 148.8 Ų | 148.8 | 77% | 0.77 | 79% | 0.792 | S | S | * | * | | | | 170.1 | 127.6 | 103.1 | 157.2 | 0 | 0 | 0 | 0 | 112 | | |
| 170 | S | 26.7 | Very low | 29.4 | Very low | 96 Ų | 96 | 142 Ų | 142 | 67% | 0.671 | 79% | 0.786 | S | S | * | * | | | trans | 70.8 | 164.8 | 158.5 | 78.3 | 0 | 0 | 0 | 0 | 120.6 | | |
| 171 | Q | 32.1 | Very low | 29.2 | Very low | 178 Ų | 178 | 137.8 Ų | 137.8 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | | | trans | 73.7 | 137.4 | -178.7 | -54.9 | 174.6 | 27.5 | 0 | 0 | 115.4 | | |
| 172 | Q | 29.8 | Very low | 28.9 | Very low | 157 Ų | 157 | 136.6 Ų | 136.6 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | | | cis | -160.5 | 138.5 | -23.3 | -172.8 | 166.6 | -20.7 | 0 | 0 | 107.9 | | |
| 173 | P | 27.4 | Very low | 28.9 | Very low | 124 Ų | 124 | 135.5 Ų | 135.5 | 81% | 0.805 | 77% | 0.774 | S | S | * | * | | | trans | -79.9 | 135.4 | -177.6 | 31.1 | -34.3 | 0 | 0 | 0 | 112.7 | | |
| 174 | I | 31.6 | Very low | 28.6 | Very low | 158 Ų | 158 | 127 Ų | 127 | 81% | 0.81 | 76% | 0.759 | S | S | * | * | | | trans | -135.8 | 149.1 | 168.3 | -63.5 | -178.9 | 0 | 0 | 0 | 107.6 | | |
| 175 | T | 26 | Very low | 28.5 | Very low | 109 Ų | 109 | 127.9 Ų | 127.9 | 67% | 0.669 | 77% | 0.765 | S | S | * | * | | | trans | -108.9 | 175.9 | -169.6 | 52 | 0 | 0 | 0 | 0 | 113.2 | | |
| 176 | D | 26.3 | Very low | 28.1 | Very low | 135 Ų | 135 | 127.7 Ų | 127.7 | 72% | 0.722 | 77% | 0.767 | S | S | * | * | | | trans | 78.2 | 102 | 150.8 | -51 | -41 | 0 | 0 | 0 | 121.6 | | |
| 177 | S | 24.9 | Very low | 27.9 | Very low | 109 Ų | 109 | 124 Ų | 124 | 76% | 0.762 | 76% | 0.764 | S | S | * | * | | | | 59.6 | 109.3 | 126.2 | 68.4 | 0 | 0 | 0 | 0 | 122.7 | | |
| 178 | V | 31 | Very low | 28 | Very low | 142 Ų | 142 | 121.8 Ų | 121.8 | 86% | 0.861 | 76% | 0.757 | S | S | * | * | | | trans | -144.7 | 129.2 | 136.4 | -178.4 | 0 | 0 | 0 | 0 | 106.2 | | |
| 179 | A | 26 | Very low | 28.3 | Very low | 96 Ų | 96 | 123.8 Ų | 123.8 | 79% | 0.793 | 77% | 0.765 | S | S | * | * | | | cis | 96.1 | 72.2 | 18.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 180 | A | 27.6 | Very low | 28.2 | Very low | 94 Ų | 94 | 125.3 Ų | 125.3 | 78% | 0.777 | 76% | 0.762 | S | S | * | * | | | trans | -153.3 | 125.8 | 159.5 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |
| 181 | S | 25.9 | Very low | 28.3 | Very low | 110 Ų | 110 | 126.4 Ų | 126.4 | 77% | 0.769 | 77% | 0.769 | S | S | * | * | | | | 70.8 | 131.1 | 83.3 | -155 | 0 | 0 | 0 | 0 | 112 | | |
| 182 | T | 28 | Very low | 28.1 | Very low | 107 Ų | 107 | 124.1 Ų | 124.1 | 66% | 0.656 | 76% | 0.762 | S | S | * | * | | | | -176.5 | 129.6 | 58.6 | -68.4 | 0 | 0 | 0 | 0 | 113 | | |
| 183 | I | 26.3 | Very low | 27.8 | Very low | 172 Ų | 172 | 122.7 Ų | 122.7 | 88% | 0.882 | 76% | 0.764 | S | S | * | * | | | trans | 59.6 | 140 | 148.2 | -59.6 | 169.1 | 0 | 0 | 0 | 122.7 | | |
| 184 | G | 30.2 | Very low | 27.8 | Very low | 60 Ų | 60 | 121.6 Ų | 121.6 | 62% | 0.619 | 77% | 0.766 | S | S | * | * | | | trans | 130.8 | 106.7 | 156.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 185 | S | 28.1 | Very low | 27.6 | Very low | 119 Ų | 119 | 124.9 Ų | 124.9 | 83% | 0.832 | 77% | 0.768 | S | S | * | * | | | | 60.3 | 126.1 | 72.3 | 71.3 | 0 | 0 | 0 | 0 | 114.6 | | |
| 186 | S | 29.1 | Very low | 27.8 | Very low | 104 Ų | 104 | 128.9 Ų | 128.9 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | | | cis | -161 | 167.8 | 2.5 | 43.7 | 0 | 0 | 0 | 0 | 112.4 | | |
| 187 | D | 28.8 | Very low | 28 | Very low | 155 Ų | 155 | 126.5 Ų | 126.5 | 83% | 0.829 | 77% | 0.769 | S | S | * | * | | | trans | 63.4 | 123.1 | 167.9 | -61.6 | -11.4 | 0 | 0 | 0 | 121.1 | | |
| 188 | P | 29.8 | Very low | 28.4 | Very low | 97 Ų | 97 | 127.4 Ų | 127.4 | 63% | 0.63 | 77% | 0.765 | S | S | * | * | | | trans | -115.2 | 149.6 | 174.8 | 39.4 | -29.7 | 0 | 0 | 0 | 114.6 | F190 | P188-F190 HydrophobicContact CB-CD2 4.29Å; P188-F190 HydrophobicContact CB-CE2 4Å; P188-F190 HydrophobicContact CG-CE2 4.16Å |
| 189 | V | 29.9 | Very low | 28.6 | Very low | 151 Ų | 151 | 122.8 Ų | 122.8 | 92% | 0.915 | 74% | 0.736 | S | S | * | * | | | trans | -128.1 | 128.3 | 151.6 | 178.6 | 0 | 0 | 0 | 0 | 108.4 | | |
| 190 | F | 26.4 | Very low | 29 | Very low | 159 Ų | 159 | 123.7 Ų | 123.7 | 70% | 0.697 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -91.6 | 138 | -172.1 | -77.7 | -110.6 | 0 | 0 | 0 | 112.4 | P188 L192 | P188-F190 HydrophobicContact CB-CD2 4.29Å; P188-F190 HydrophobicContact CB-CE2 4Å; P188-F190 HydrophobicContact CG-CE2 4.16Å; F190-L192 HydrophobicContact CB-CD1 4.03Å; F190-L192 HydrophobicContact CD1-CD1 3.98Å; F190-L192 HydrophobicContact CG-CD1 4.32Å |
| 191 | S | 28.5 | Very low | 29.5 | Very low | 119 Ų | 119 | 124.1 Ų | 124.1 | 83% | 0.832 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -94.9 | 125.6 | 139.3 | 47.5 | 0 | 0 | 0 | 0 | 108.6 | | |
| 192 | L | 28.4 | Very low | 30.1 | Very low | 130 Ų | 130 | 124.7 Ų | 124.7 | 68% | 0.681 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 167.6 | 177.4 | -116.6 | 74.6 | 0 | 0 | 0 | 111.3 | F190 | F190-L192 HydrophobicContact CB-CD1 4.03Å; F190-L192 HydrophobicContact CD1-CD1 3.98Å; F190-L192 HydrophobicContact CG-CD1 4.32Å |
| 193 | T | 24.6 | Very low | 30.5 | Very low | 127 Ų | 127 | 123.9 Ų | 123.9 | 78% | 0.779 | 72% | 0.722 | S | S | * | * | | | trans | 55 | 76.8 | 167.4 | 44.6 | 0 | 0 | 0 | 0 | 114.4 | | |
| 194 | A | 26.5 | Very low | 31.2 | Very low | 101 Ų | 101 | 120.7 Ų | 120.7 | 84% | 0.835 | 72% | 0.715 | S | S | * | * | | | | 58.3 | 99.8 | 74.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 195 | R | 26.4 | Very low | 32 | Very low | 227 Ų | 227 | 129.5 Ų | 129.5 | 86% | 0.857 | 73% | 0.73 | S | S | * | * | | | trans | -146.4 | 49 | 166.7 | -151.4 | 176.3 | -169 | 175.2 | 4.4 | 113.4 | T197 | R195-T197 PolarHBondContact O-N 3.49Š|
| 196 | E | 30.1 | Very low | 33.1 | Very low | 193 Ų | 193 | 128.5 Ų | 128.5 | 90% | 0.902 | 71% | 0.71 | S | S | * | * | | | trans | -69.7 | 104.1 | 158 | -65 | -176.6 | 147.7 | 0 | 0 | 108.6 | | |
| 197 | T | 30.8 | Very low | 34.7 | Very low | 84 Ų | 84 | 126.3 Ų | 126.3 | 52% | 0.515 | 70% | 0.695 | S | S | . | * | | | trans | -177.8 | 46.8 | 162.5 | 17.1 | 0 | 0 | 0 | 0 | 113.2 | R195 Q1577 | R195-T197 PolarHBondContact O-N 3.49Å; T197-Q1577 PolarHBondContact O-NE2 3.1Å |
| 198 | N | 34 | Very low | 35.8 | Very low | 128 Ų | 128 | 123.5 Ų | 123.5 | 68% | 0.684 | 68% | 0.683 | S | S | * | * | | | trans | -141.5 | 107.3 | 162.9 | -80.2 | -64.3 | 0 | 0 | 0 | 108.7 | S200 | N198-S200 PolarHBondContact O-N 3.45Š|
| 199 | L | 34.2 | Very low | 37.2 | Very low | 46 Ų | 46 | 124.5 Ų | 124.5 | 24% | 0.241 | 68% | 0.677 | C | S | . | * | | | | 68.2 | 42.3 | 87 | -76.7 | 167 | 0 | 0 | 0 | 115.4 | L201 I202 Y1578 N1579 | L199-L201 PolarHBondContact O-N 3.19Å; L199-I202 HydrophobicContact CD2-CG1 4.36Å; L199-Y1578 HydrophobicContact CD1-CD1 3.72Å; L199-Y1578 HydrophobicContact CD1-CE1 4.4Å; L199-Y1578 HydrophobicContact CD1-CG 3.85Å; L199-Y1578 HydrophobicContact CD2-CD1 4.22Å; L199-N1579 VanDerWaalsContact CD2-OD1 3.24Å; L199-N1579 WeakPolarHBondContact CD2-OD1 3.48Å |
| 200 | S | 36.5 | Very low | 39.2 | Very low | 115 Ų | 115 | 122.7 Ų | 122.7 | 80% | 0.804 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -77.1 | 18.8 | 151 | 52.1 | 0 | 0 | 0 | 0 | 113.5 | N198 | N198-S200 PolarHBondContact O-N 3.45Š|
| 201 | L | 36.5 | Very low | 40.9 | Very low | 102 Ų | 102 | 120 Ų | 120 | 53% | 0.534 | 65% | 0.652 | S | S | . | * | | | trans | -114.3 | 42.1 | 167.7 | -100.5 | 158.7 | 0 | 0 | 0 | 111.7 | L199 E1580 | L199-L201 PolarHBondContact O-N 3.19Å; L201-E1580 WeakPolarHBondContact CB-OE2 3.36Å; L201-E1580 WeakPolarHBondContact CD1-OE2 3.47Å |
| 202 | I | 38.5 | Very low | 42.7 | Very low | 123 Ų | 123 | 123.1 Ų | 123.1 | 63% | 0.631 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -106.5 | 115.4 | 153 | -62.5 | 179.9 | 0 | 0 | 0 | 106.1 | L199 S204 | L199-I202 HydrophobicContact CD2-CG1 4.36Å; I202-S204 PolarHBondContact O-N 3.31Å |
| 203 | A | 36.7 | Very low | 43.7 | Very low | 89 Ų | 89 | 118.7 Ų | 118.7 | 74% | 0.736 | 63% | 0.632 | S | S | * | * | | | trans | -23.9 | 110.3 | -170.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | R205 | A203-R205 PolarHBondContact O-N 2.81Š|
| 204 | S | 42.2 | Very low | 45.1 | Very low | 105 Ų | 105 | 117.1 Ų | 117.1 | 73% | 0.734 | 62% | 0.616 | S | S | * | * | | | trans | -42 | 117 | 171.8 | -55.7 | 0 | 0 | 0 | 0 | 109 | I202 K206 | I202-S204 PolarHBondContact O-N 3.31Å; S204-K206 VanDerWaalsContact C-N 3.28Å; S204-K206 PolarHBondContact O-N 2.97Å |
| 205 | R | 46.3 | Very low | 46.1 | Very low | 245 Ų | 245 | 115.7 Ų | 115.7 | 93% | 0.925 | 60% | 0.598 | S | S | * | * | | | trans | -62.3 | 96.3 | -178.5 | -81.3 | -175.3 | 172.2 | 179.8 | -1.8 | 107.9 | A203 S207 | A203-R205 PolarHBondContact O-N 2.81Å; R205-S207 PolarHBondContact O-N 2.94Å; R205-S207 VanDerWaalsContact O-N 3.11Å |
| 206 | K | 50.9 | Low | 47.5 | Very low | 99 Ų | 99 | 109.5 Ų | 109.5 | 43% | 0.43 | 59% | 0.589 | S | S | . | * | | | trans | -44.8 | 122.2 | 173.7 | -80.4 | -162.1 | 159 | -153.3 | 0 | 107.8 | S204 E210 L211 | S204-K206 VanDerWaalsContact C-N 3.28Å; S204-K206 PolarHBondContact O-N 2.97Å; K206-E210 WeakPolarHBondContact CA-OE2 3.47Å; K206-E210 HydrophobicContact CB-CB 3.79Å; K206-E210 HydrophobicContact CD-CB 4.15Å; K206-E210 HydrophobicContact CG-CB 4.16Å; K206-E210 IonicContact NZ-OE1 3.98Å; K206-L211 HydrophobicContact CB-CD1 4.48Å; K206-L211 HydrophobicContact CB-CD2 3.79Å; K206-L211 HydrophobicContact CB-CG 3.71Å; K206-L211 HydrophobicContact CD-CD2 4.35Å; K206-L211 WeakPolarHBondContact O-CD1 3.28Å |
| 207 | S | 61.7 | Low | 48.1 | Very low | 57 Ų | 57 | 109.7 Ų | 109.7 | 40% | 0.399 | 58% | 0.582 | S | S | . | * | | | trans | -56.3 | 160.4 | -177.9 | 63 | 0 | 0 | 0 | 0 | 109.7 | R205 K209 E210 L211 | R205-S207 PolarHBondContact O-N 2.94Å; R205-S207 VanDerWaalsContact O-N 3.11Å; S207-K209 PolarHBondContact O-N 3.17Å; S207-E210 PolarHBondContact N-OE2 2.97Å; S207-E210 WeakPolarHBondContact O-CA 3.36Å; S207-E210 WeakPolarHBondContact O-CB 3.44Å; S207-E210 PolarHBondContact O-N 2.68Å; S207-E210 PolarHBondContact OG-N 3.1Å; S207-L211 PolarHBondContact O-N 3.23Å |
| 208 | V | 53.7 | Low | 48.4 | Very low | 97 Ų | 97 | 114 Ų | 114 | 59% | 0.588 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -53.2 | -35.4 | 176 | 179.9 | 0 | 0 | 0 | 0 | 110.6 | E210 L211 Y212 | V208-E210 VanDerWaalsContact C-N 3.33Å; V208-E210 PolarHBondContact O-N 3.32Å; V208-L211 PolarHBondContact O-N 2.88Å; V208-Y212 HydrophobicContact CG1-CD2 4.15Å; V208-Y212 PolarHBondContact O-N 2.64Å |
| 209 | K | 59.4 | Low | 48.5 | Very low | 117 Ų | 117 | 110.3 Ų | 110.3 | 51% | 0.509 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -62.8 | -28 | 173.4 | -174.8 | 161.7 | -174.9 | 163.4 | 0 | 114.7 | S207 G213 Q214 | S207-K209 PolarHBondContact O-N 3.17Å; K209-G213 WeakPolarHBondContact CA-O 3.34Å; K209-G213 CarbonylContact O-C 3.3Å; K209-G213 VanDerWaalsContact O-C 3.23Å; K209-G213 WeakPolarHBondContact O-CA 3.32Å; K209-G213 PolarHBondContact O-N 3.23Å; K209-Q214 HydrophobicContact CD-CB 4.05Å; K209-Q214 VanDerWaalsContact CE-OE1 3.26Å; K209-Q214 HydrophobicContact CG-CB 4.03Å |
| 210 | E | 70.1 | Confident | 48.8 | Very low | 113 Ų | 113 | 113.9 Ų | 113.9 | 53% | 0.528 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -91.1 | -25.9 | 174.5 | -76.6 | -179.8 | 86.1 | 0 | 0 | 114.5 | K206 S207 V208 | K206-E210 WeakPolarHBondContact CA-OE2 3.47Å; K206-E210 HydrophobicContact CB-CB 3.79Å; K206-E210 HydrophobicContact CD-CB 4.15Å; K206-E210 HydrophobicContact CG-CB 4.16Å; K206-E210 IonicContact NZ-OE1 3.98Å; S207-E210 PolarHBondContact N-OE2 2.97Å; S207-E210 WeakPolarHBondContact O-CA 3.36Å; S207-E210 WeakPolarHBondContact O-CB 3.44Å; S207-E210 PolarHBondContact O-N 2.68Å; S207-E210 PolarHBondContact OG-N 3.1Å; V208-E210 VanDerWaalsContact C-N 3.33Å; V208-E210 PolarHBondContact O-N 3.32Å |
| 211 | L | 63.1 | Low | 48.8 | Very low | 103 Ų | 103 | 111.8 Ų | 111.8 | 54% | 0.539 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -82.4 | -35.6 | 178.8 | -75.3 | 176.2 | 0 | 0 | 0 | 112.6 | K206 S207 V208 | K206-L211 HydrophobicContact CB-CD1 4.48Å; K206-L211 HydrophobicContact CB-CD2 3.79Å; K206-L211 HydrophobicContact CB-CG 3.71Å; K206-L211 HydrophobicContact CD-CD2 4.35Å; K206-L211 WeakPolarHBondContact O-CD1 3.28Å; S207-L211 PolarHBondContact O-N 3.23Å; V208-L211 PolarHBondContact O-N 2.88Å |
| 212 | Y | 65.2 | Low | 49 | Very low | 185 Ų | 185 | 114.5 Ų | 114.5 | 73% | 0.725 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -122.8 | 2.3 | -172.2 | -63.6 | -83.1 | 0 | 0 | 0 | 113.8 | V208 | V208-Y212 HydrophobicContact CG1-CD2 4.15Å; V208-Y212 PolarHBondContact O-N 2.64Å |
| 213 | G | 50.2 | Low | 49.1 | Very low | 37 Ų | 37 | 113.9 Ų | 113.9 | 38% | 0.381 | 62% | 0.619 | S | S | . | * | | | trans | 68.8 | 178.7 | -152.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | K209 P215 | K209-G213 WeakPolarHBondContact CA-O 3.34Å; K209-G213 CarbonylContact O-C 3.3Å; K209-G213 VanDerWaalsContact O-C 3.23Å; K209-G213 WeakPolarHBondContact O-CA 3.32Å; K209-G213 PolarHBondContact O-N 3.23Å; G213-P215 WeakPolarHBondContact O-CD 3.08Å |
| 214 | Q | 53.6 | Low | 49.1 | Very low | 93 Ų | 93 | 112.6 Ų | 112.6 | 44% | 0.435 | 61% | 0.614 | S | S | . | * | S | Bend | trans | -73.4 | 124.3 | 164.8 | -167.4 | 160.2 | -20.8 | 0 | 0 | 107.6 | K209 S216 | K209-Q214 HydrophobicContact CD-CB 4.05Å; K209-Q214 VanDerWaalsContact CE-OE1 3.26Å; K209-Q214 HydrophobicContact CG-CB 4.03Å; Q214-S216 PolarHBondContact O-N 3.29Å |
| 215 | P | 48.8 | Very low | 48.6 | Very low | 72 Ų | 72 | 118.7 Ų | 118.7 | 47% | 0.468 | 62% | 0.623 | S | S | . | * | | | trans | -65.8 | 107.5 | 179.3 | 25.1 | -33 | 0 | 0 | 0 | 109.2 | G213 W217 | G213-P215 WeakPolarHBondContact O-CD 3.08Å; P215-W217 PolarHBondContact O-N 3.02Å |
| 216 | S | 55.7 | Low | 48 | Very low | 96 Ų | 96 | 112 Ų | 112 | 67% | 0.671 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | 48.2 | -169.9 | -178.4 | 0 | 0 | 0 | 0 | 114 | Q214 W218 | Q214-S216 PolarHBondContact O-N 3.29Å; S216-W218 CarbonylContact C-O 3.46Å; S216-W218 VanDerWaalsContact C-O 3.3Å; S216-W218 VanDerWaalsContact CA-O 3.25Å; S216-W218 WeakPolarHBondContact CA-O 3.4Å |
| 217 | W | 42.4 | Very low | 46.9 | Very low | 197 Ų | 197 | 117.9 Ų | 117.9 | 75% | 0.746 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.2 | -33.6 | 172.5 | 88.8 | -85.5 | 0 | 0 | 0 | 111.7 | P215 | P215-W217 PolarHBondContact O-N 3.02Š|
| 218 | W | 37.7 | Very low | 45.4 | Very low | 176 Ų | 176 | 119.8 Ų | 119.8 | 67% | 0.667 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -78.2 | 110.6 | 133.3 | -56.1 | 111 | 0 | 0 | 0 | 105.9 | S216 | S216-W218 CarbonylContact C-O 3.46Å; S216-W218 VanDerWaalsContact C-O 3.3Å; S216-W218 VanDerWaalsContact CA-O 3.25Å; S216-W218 WeakPolarHBondContact CA-O 3.4Å |
| 219 | G | 34.5 | Very low | 44.2 | Very low | 49 Ų | 49 | 123.7 Ų | 123.7 | 51% | 0.505 | 66% | 0.657 | S | S | . | * | | | trans | -55.6 | 149.4 | 161.2 | 0 | 0 | 0 | 0 | 0 | 109 | G221 | G219-G221 PolarHBondContact O-N 2.83Š|
| 220 | D | 40.5 | Very low | 42.9 | Very low | 121 Ų | 121 | 125 Ų | 125 | 65% | 0.647 | 68% | 0.675 | S | S | * | * | | | trans | -52.5 | 142.4 | 165.8 | -93.3 | -54.2 | 0 | 0 | 0 | 108.7 | D222 | D220-D222 PolarHBondContact O-N 3.26Š|
| 221 | G | 37.7 | Very low | 41 | Very low | 71 Ų | 71 | 125 Ų | 125 | 73% | 0.732 | 69% | 0.687 | S | S | * | * | | | trans | -71 | 76.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | G219 S223 | G219-G221 PolarHBondContact O-N 2.83Å; G221-S223 PolarHBondContact O-N 3.44Å; G221-S223 VanDerWaalsContact O-N 3.07Å |
| 222 | D | 40.9 | Very low | 39.3 | Very low | 159 Ų | 159 | 124.5 Ų | 124.5 | 85% | 0.85 | 69% | 0.692 | S | S | * | * | | | trans | -50.1 | 117.8 | 165.5 | -100.4 | -27.8 | 0 | 0 | 0 | 107.4 | D220 G224 | D220-D222 PolarHBondContact O-N 3.26Å; D222-G224 VanDerWaalsContact C-N 3.28Å; D222-G224 PolarHBondContact O-N 3.46Å |
| 223 | S | 39.3 | Very low | 37.6 | Very low | 111 Ų | 111 | 125.6 Ų | 125.6 | 78% | 0.776 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -79.4 | 71.4 | -151.3 | 60.2 | 0 | 0 | 0 | 0 | 112.8 | G221 | G221-S223 PolarHBondContact O-N 3.44Å; G221-S223 VanDerWaalsContact O-N 3.07Å |
| 224 | G | 36.6 | Very low | 36.5 | Very low | 62 Ų | 62 | 127.3 Ų | 127.3 | 64% | 0.639 | 72% | 0.718 | S | S | * | * | | | trans | -89.2 | -29.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | D222 | D222-G224 VanDerWaalsContact C-N 3.28Å; D222-G224 PolarHBondContact O-N 3.46Å |
| 225 | Y | 33.2 | Very low | 35.2 | Very low | 233 Ų | 233 | 129.4 Ų | 129.4 | 91% | 0.914 | 73% | 0.733 | S | S | * | * | | | trans | -115.1 | 76.9 | 179.9 | -79.2 | -79.6 | 0 | 0 | 0 | 112.2 | Y227 | Y225-Y227 PolarHBondContact O-N 3.23Š|
| 226 | S | 32 | Very low | 34.3 | Very low | 104 Ų | 104 | 134.3 Ų | 134.3 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 120.4 | 163.7 | -61 | 0 | 0 | 0 | 0 | 110.4 | | |
| 227 | Y | 28.8 | Very low | 33.1 | Very low | 223 Ų | 223 | 138.2 Ų | 138.2 | 88% | 0.875 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 134.9 | 168.7 | -119.8 | -93.7 | 0 | 0 | 0 | 110 | Y225 H229 | Y225-Y227 PolarHBondContact O-N 3.23Å; Y227-H229 PolarHBondContact O-N 3.2Å |
| 228 | P | 31 | Very low | 32.6 | Very low | 96 Ų | 96 | 134.1 Ų | 134.1 | 62% | 0.623 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 122.8 | 180 | -17.8 | 31.4 | 0 | 0 | 0 | 112.4 | | |
| 229 | H | 28.1 | Very low | 32.2 | Very low | 179 Ų | 179 | 131.2 Ų | 131.2 | 83% | 0.829 | 76% | 0.756 | S | S | * | * | | | trans | 51 | 101.4 | 149.4 | -47 | -59.1 | 0 | 0 | 0 | 119.1 | Y227 | Y227-H229 PolarHBondContact O-N 3.2Š|
| 230 | T | 32.1 | Very low | 31.8 | Very low | 146 Ų | 146 | 137.1 Ų | 137.1 | 90% | 0.896 | 77% | 0.769 | S | S | * | * | | | trans | -92.6 | 166.3 | 130.5 | 53.2 | 0 | 0 | 0 | 0 | 110.3 | | |
| 231 | S | 29.6 | Very low | 31.7 | Very low | 112 Ų | 112 | 136.3 Ų | 136.3 | 78% | 0.783 | 77% | 0.771 | S | S | * | * | | | trans | -85.1 | 155.8 | -162.4 | 49.2 | 0 | 0 | 0 | 0 | 115.8 | | |
| 232 | S | 28.3 | Very low | 31.5 | Very low | 92 Ų | 92 | 139.4 Ų | 139.4 | 64% | 0.643 | 78% | 0.775 | S | S | * | * | | | trans | 75.4 | 103.5 | 135.4 | -177.4 | 0 | 0 | 0 | 0 | 121.4 | | |
| 233 | F | 29.5 | Very low | 30.9 | Very low | 209 Ų | 209 | 137.9 Ų | 137.9 | 92% | 0.917 | 77% | 0.771 | S | S | * | * | | | trans | 53.2 | 133.7 | 136.8 | -66.7 | -77.8 | 0 | 0 | 0 | 121.7 | | |
| 234 | G | 26.5 | Very low | 30.5 | Very low | 72 Ų | 72 | 136.6 Ų | 136.6 | 74% | 0.742 | 77% | 0.767 | S | S | * | * | | | trans | -157.4 | -9.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 121 | | |
| 235 | N | 26.7 | Very low | 30.1 | Very low | 138 Ų | 138 | 138 Ų | 138 | 74% | 0.738 | 77% | 0.768 | S | S | * | * | | | trans | 63.5 | 135.9 | 170.7 | -72.9 | -30.8 | 0 | 0 | 0 | 121.3 | | |
| 236 | Q | 28.9 | Very low | 30 | Very low | 174 Ų | 174 | 137.2 Ų | 137.2 | 81% | 0.813 | 76% | 0.763 | S | S | * | * | | | trans | 51.9 | 109.7 | 139.1 | -60.6 | 177 | 74.4 | 0 | 0 | 121 | | |
| 237 | E | 30.2 | Very low | 29.9 | Very low | 178 Ų | 178 | 142.7 Ų | 142.7 | 83% | 0.832 | 77% | 0.774 | S | S | * | * | | | | -166.6 | 153.6 | 112.5 | -110.7 | -157.2 | 78.3 | 0 | 0 | 114.5 | | |
| 238 | T | 32.5 | Very low | 30 | Very low | 112 Ų | 112 | 142.5 Ų | 142.5 | 69% | 0.687 | 77% | 0.773 | S | S | * | * | | | trans | 42.8 | 132.5 | 139.7 | -59 | 0 | 0 | 0 | 0 | 122.9 | | |
| 239 | V | 28.8 | Very low | 29.9 | Very low | 115 Ų | 115 | 142.9 Ų | 142.9 | 70% | 0.697 | 78% | 0.778 | S | S | * | * | | | cis | -166.9 | 130.3 | -35.1 | 116.9 | 0 | 0 | 0 | 0 | 112.1 | | |
| 240 | H | 27.7 | Very low | 29.9 | Very low | 172 Ų | 172 | 142.3 Ų | 142.3 | 80% | 0.796 | 78% | 0.777 | S | S | * | * | | | trans | 57 | -176.2 | 159 | -65 | -50.1 | 0 | 0 | 0 | 119.5 | | |
| 241 | P | 38.2 | Very low | 29.8 | Very low | 104 Ų | 104 | 144.6 Ų | 144.6 | 68% | 0.675 | 78% | 0.775 | S | S | * | * | | | | -140.2 | 146.2 | -89.2 | 41.7 | -22.8 | 0 | 0 | 0 | 118.6 | | |
| 242 | V | 32 | Very low | 29.8 | Very low | 136 Ų | 136 | 143.2 Ų | 143.2 | 82% | 0.824 | 77% | 0.771 | S | S | * | * | | | trans | -141.7 | 100.1 | 156.6 | -178.5 | 0 | 0 | 0 | 0 | 108.2 | | |
| 243 | V | 29.9 | Very low | 29.9 | Very low | 127 Ų | 127 | 145.7 Ų | 145.7 | 77% | 0.77 | 78% | 0.777 | S | S | * | * | | | | 50.7 | 68.2 | 90 | -170.8 | 0 | 0 | 0 | 0 | 111.9 | | |
| 244 | A | 29.1 | Very low | 29.9 | Very low | 84 Ų | 84 | 142.8 Ų | 142.8 | 69% | 0.694 | 77% | 0.769 | S | S | * | * | | | | 88.4 | 153.3 | 81.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 245 | S | 29.4 | Very low | 30.1 | Very low | 93 Ų | 93 | 145.6 Ų | 145.6 | 65% | 0.65 | 77% | 0.767 | S | S | * | * | | | trans | 68.1 | 74.1 | 155.7 | -57 | 0 | 0 | 0 | 0 | 119.7 | | |
| 246 | R | 31.3 | Very low | 30.2 | Very low | 216 Ų | 216 | 146.9 Ų | 146.9 | 82% | 0.815 | 77% | 0.773 | S | S | * | * | | | | 173.3 | 107.8 | 96.4 | -93.4 | 158.5 | -79.9 | -151.9 | -3.6 | 113.5 | Y248 | R246-Y248 HydrophobicContact CG-CD2 4.42Š|
| 247 | K | 28.6 | Very low | 30.3 | Very low | 218 Ų | 218 | 144.9 Ų | 144.9 | 95% | 0.948 | 77% | 0.773 | S | S | * | * | | | trans | -99.9 | 98.2 | 148 | -81.2 | -170.1 | 175.3 | -176.7 | 0 | 108.1 | | |
| 248 | Y | 31.8 | Very low | 30.6 | Very low | 220 Ų | 220 | 141.9 Ų | 141.9 | 86% | 0.863 | 77% | 0.772 | S | S | * | * | | | trans | -85.8 | 157.7 | 152.4 | -95.6 | -83.1 | 0 | 0 | 0 | 108.9 | R246 | R246-Y248 HydrophobicContact CG-CD2 4.42Š|
| 249 | S | 28.3 | Very low | 30.6 | Very low | 103 Ų | 103 | 144 Ų | 144 | 72% | 0.72 | 77% | 0.774 | S | S | * | * | | | trans | -95.9 | 152.3 | -162.7 | -161.4 | 0 | 0 | 0 | 0 | 113.3 | | |
| 250 | M | 28.6 | Very low | 30.8 | Very low | 167 Ų | 167 | 147.5 Ų | 147.5 | 82% | 0.823 | 78% | 0.783 | S | S | * | * | | | trans | 36.8 | 108.6 | 149.1 | -67.4 | -72.9 | -171.7 | 0 | 0 | 118.2 | | |
| 251 | K | 29.9 | Very low | 31.3 | Very low | 194 Ų | 194 | 145.1 Ų | 145.1 | 84% | 0.843 | 78% | 0.776 | S | S | * | * | | | | -151.5 | 135.2 | 97.3 | -108 | -171.2 | 175.2 | -160.3 | 0 | 111 | | |
| 252 | A | 29.4 | Very low | 30.8 | Very low | 84 Ų | 84 | 145.7 Ų | 145.7 | 69% | 0.694 | 78% | 0.782 | S | S | * | * | | | trans | -92.1 | 137.4 | 166.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 253 | D | 30.7 | Very low | 31 | Very low | 143 Ų | 143 | 144.8 Ų | 144.8 | 77% | 0.765 | 78% | 0.777 | S | S | * | * | | | trans | -169.7 | 156 | 160.4 | -90.1 | -42.9 | 0 | 0 | 0 | 106.9 | | |
| 254 | I | 29.2 | Very low | 31 | Very low | 149 Ų | 149 | 149.8 Ų | 149.8 | 76% | 0.764 | 78% | 0.782 | S | S | * | * | S | Bend | trans | 73.3 | 95.2 | 168.4 | -58.5 | 166.5 | 0 | 0 | 0 | 117.2 | | |
| 255 | N | 31.3 | Very low | 31.1 | Very low | 130 Ų | 130 | 150.2 Ų | 150.2 | 70% | 0.695 | 78% | 0.778 | S | S | * | * | | | | 66.4 | 93.5 | 129.9 | -54.8 | -2.9 | 0 | 0 | 0 | 121.7 | | |
| 256 | L | 27.9 | Very low | 31.8 | Very low | 166 Ų | 166 | 150.3 Ų | 150.3 | 87% | 0.869 | 78% | 0.776 | S | S | * | * | | | | 33.3 | 99.6 | 110.9 | -66.1 | 165.8 | 0 | 0 | 0 | 117.5 | | |
| 257 | T | 32.5 | Very low | 31.7 | Very low | 131 Ų | 131 | 144.5 Ų | 144.5 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | | | trans | -143.9 | 150.6 | 151.8 | 28.3 | 0 | 0 | 0 | 0 | 109.9 | | |
| 258 | S | 35 | Very low | 32 | Very low | 116 Ų | 116 | 141.4 Ų | 141.4 | 81% | 0.811 | 76% | 0.763 | S | S | * | * | | | trans | 50.2 | 71 | 177.2 | 57.4 | 0 | 0 | 0 | 0 | 116.9 | | |
| 259 | E | 33.2 | Very low | 32.3 | Very low | 155 Ų | 155 | 135.1 Ų | 135.1 | 72% | 0.724 | 76% | 0.757 | S | S | * | * | | | trans | -76.1 | 112.4 | 141.8 | -82.9 | -96.4 | 143.6 | 0 | 0 | 107.9 | N261 | E259-N261 VanDerWaalsContact CD-ND2 3.28Å; E259-N261 PolarHBondContact OE1-ND2 3.28Å; E259-N261 PolarHBondContact OE2-ND2 3.03Å |
| 260 | E | 33.8 | Very low | 32.7 | Very low | 190 Ų | 190 | 138.2 Ų | 138.2 | 89% | 0.888 | 76% | 0.758 | S | S | * | * | | | trans | -116.1 | 58.4 | 163.9 | -166.5 | 175 | 178.1 | 0 | 0 | 108.8 | S262 | E260-S262 PolarHBondContact O-N 2.94Š|
| 261 | N | 36.8 | Very low | 33.1 | Very low | 122 Ų | 122 | 136.2 Ų | 136.2 | 65% | 0.652 | 75% | 0.754 | S | S | * | * | | | trans | -81.8 | 103.2 | -175.4 | -100.7 | -42.2 | 0 | 0 | 0 | 111.9 | E259 T263 | E259-N261 VanDerWaalsContact CD-ND2 3.28Å; E259-N261 PolarHBondContact OE1-ND2 3.28Å; E259-N261 PolarHBondContact OE2-ND2 3.03Å; N261-T263 VanDerWaalsContact C-N 3.34Å; N261-T263 PolarHBondContact O-N 3.29Å |
| 262 | S | 27.3 | Very low | 33.5 | Very low | 116 Ų | 116 | 133.8 Ų | 133.8 | 81% | 0.811 | 75% | 0.749 | S | S | * | * | | | trans | -71.8 | 85.2 | 166.3 | 170.9 | 0 | 0 | 0 | 0 | 111.1 | E260 | E260-S262 PolarHBondContact O-N 2.94Š|
| 263 | T | 37.2 | Very low | 33.8 | Very low | 117 Ų | 117 | 135.9 Ų | 135.9 | 72% | 0.718 | 75% | 0.749 | S | S | * | * | | | trans | -139.4 | 110.6 | 149.2 | -56.7 | 0 | 0 | 0 | 0 | 110.6 | N261 | N261-T263 VanDerWaalsContact C-N 3.34Å; N261-T263 PolarHBondContact O-N 3.29Å |
| 264 | R | 29.4 | Very low | 34 | Very low | 232 Ų | 232 | 137.5 Ų | 137.5 | 88% | 0.875 | 75% | 0.749 | S | S | * | * | | | trans | -66.4 | 116.8 | 161.7 | 176.2 | -178.3 | -173.8 | -137.9 | 3.4 | 107.2 | | |
| 265 | P | 32.3 | Very low | 34 | Very low | 93 Ų | 93 | 132.5 Ų | 132.5 | 60% | 0.604 | 74% | 0.735 | S | S | * | * | | | | -151.4 | 107.6 | 89.4 | 36.8 | -16.7 | 0 | 0 | 0 | 116 | A267 | P265-A267 PolarHBondContact O-N 3.42Š|
| 266 | P | 43 | Very low | 34.1 | Very low | 94 Ų | 94 | 132.2 Ų | 132.2 | 61% | 0.61 | 74% | 0.743 | S | S | * | * | | | trans | -74 | 75 | 145.8 | -20.3 | 34.8 | 0 | 0 | 0 | 109.9 | | |
| 267 | A | 30.6 | Very low | 34.3 | Very low | 94 Ų | 94 | 128.9 Ų | 128.9 | 78% | 0.777 | 73% | 0.733 | S | S | * | * | | | trans | -97.9 | 21.3 | 143.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | P265 A269 | P265-A267 PolarHBondContact O-N 3.42Å; A267-A269 PolarHBondContact O-N 2.83Å |
| 268 | E | 34.6 | Very low | 34.2 | Very low | 154 Ų | 154 | 129.4 Ų | 129.4 | 72% | 0.72 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -48.9 | 124.1 | 144 | -67.2 | -164.7 | 147.7 | 0 | 0 | 107.5 | F270 | E268-F270 VanDerWaalsContact C-N 3.28Å; E268-F270 WeakPolarHBondContact O-CD1 3.33Å; E268-F270 PolarHBondContact O-N 3.34Å |
| 269 | A | 36.9 | Very low | 34.2 | Very low | 87 Ų | 87 | 128 Ų | 128 | 72% | 0.719 | 71% | 0.712 | S | S | * | * | | | trans | -63.2 | 100.5 | 161.8 | 0 | 0 | 0 | 0 | 0 | 106.2 | A267 V271 | A267-A269 PolarHBondContact O-N 2.83Å; A269-V271 PolarHBondContact O-N 3.49Å |
| 270 | F | 36.2 | Very low | 34.1 | Very low | 169 Ų | 169 | 127.8 Ų | 127.8 | 74% | 0.741 | 71% | 0.705 | S | S | * | * | | | trans | -60.6 | 95.9 | 172 | 17.4 | -89.6 | 0 | 0 | 0 | 107.3 | E268 I272 | E268-F270 VanDerWaalsContact C-N 3.28Å; E268-F270 WeakPolarHBondContact O-CD1 3.33Å; E268-F270 PolarHBondContact O-N 3.34Å; F270-I272 PolarHBondContact O-N 2.95Å; F270-I272 VanDerWaalsContact O-N 3.12Å |
| 271 | V | 38.6 | Very low | 34.1 | Very low | 125 Ų | 125 | 127 Ų | 127 | 76% | 0.758 | 71% | 0.706 | S | S | * | * | | | trans | -53.9 | 120.7 | 175.4 | 175.6 | 0 | 0 | 0 | 0 | 106.1 | A269 D273 | A269-V271 PolarHBondContact O-N 3.49Å; V271-D273 PolarHBondContact O-N 3.25Å |
| 272 | I | 36.7 | Very low | 33.7 | Very low | 142 Ų | 142 | 129.6 Ų | 129.6 | 73% | 0.728 | 71% | 0.714 | S | S | * | * | | | trans | -72.1 | 80.1 | 170.6 | -59.5 | 178.3 | 0 | 0 | 0 | 106.2 | F270 F274 | F270-I272 PolarHBondContact O-N 2.95Å; F270-I272 VanDerWaalsContact O-N 3.12Å; I272-F274 HydrophobicContact CG2-CD2 3.56Å; I272-F274 HydrophobicContact CG2-CE2 4.12Å; I272-F274 HydrophobicContact CG2-CG 4.46Å; I272-F274 PolarHBondContact O-N 3.04Å |
| 273 | D | 36.2 | Very low | 33.9 | Very low | 129 Ų | 129 | 134.8 Ų | 134.8 | 69% | 0.69 | 72% | 0.716 | S | S | * | * | | | trans | -73.9 | 77 | 168.4 | -171.4 | 5.8 | 0 | 0 | 0 | 108.9 | V271 G275 | V271-D273 PolarHBondContact O-N 3.25Å; D273-G275 VanDerWaalsContact C-N 3.32Å; D273-G275 WeakPolarHBondContact OD1-CA 3.41Å; D273-G275 PolarHBondContact OD1-N 3.22Å |
| 274 | F | 34.3 | Very low | 33.7 | Very low | 176 Ų | 176 | 135.3 Ų | 135.3 | 77% | 0.772 | 72% | 0.722 | S | S | * | * | | | trans | -99.3 | 67.3 | 147.9 | -71.3 | -58.1 | 0 | 0 | 0 | 109 | I272 | I272-F274 HydrophobicContact CG2-CD2 3.56Å; I272-F274 HydrophobicContact CG2-CE2 4.12Å; I272-F274 HydrophobicContact CG2-CG 4.46Å; I272-F274 PolarHBondContact O-N 3.04Å |
| 275 | G | 29.4 | Very low | 33.8 | Very low | 45 Ų | 45 | 128.5 Ų | 128.5 | 46% | 0.464 | 71% | 0.714 | S | S | . | * | | | trans | -39.8 | 146.3 | 156.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | D273 S277 | D273-G275 VanDerWaalsContact C-N 3.32Å; D273-G275 WeakPolarHBondContact OD1-CA 3.41Å; D273-G275 PolarHBondContact OD1-N 3.22Å; G275-S277 PolarHBondContact O-N 3.06Å |
| 276 | S | 33.7 | Very low | 33.8 | Very low | 123 Ų | 123 | 129.8 Ų | 129.8 | 86% | 0.86 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -62.4 | 86.4 | -146.8 | 50.9 | 0 | 0 | 0 | 0 | 116.9 | | |
| 277 | S | 31.8 | Very low | 33.3 | Very low | 96 Ų | 96 | 133.4 Ų | 133.4 | 67% | 0.671 | 74% | 0.739 | S | S | * | * | | | trans | -111.8 | 51.5 | 164.7 | 53.8 | 0 | 0 | 0 | 0 | 112.3 | G275 P279 | G275-S277 PolarHBondContact O-N 3.06Å; S277-P279 WeakPolarHBondContact O-CD 3.39Å |
| 278 | K | 31.2 | Very low | 33.3 | Very low | 142 Ų | 142 | 134.2 Ų | 134.2 | 62% | 0.617 | 74% | 0.739 | S | S | * | * | | | trans | -54.9 | 123.3 | 174.7 | -76.7 | -177.1 | 177.4 | -179.7 | 0 | 112.1 | R280 K1428 | K278-R280 HydrophobicContact CB-CB 4.35Å; K278-K1428 PolarHBondContact O-NZ 3.03Å |
| 279 | P | 34.1 | Very low | 33.1 | Very low | 86 Ų | 86 | 129.6 Ų | 129.6 | 56% | 0.558 | 73% | 0.733 | S | S | * | * | | | | -122.1 | 48.9 | 122.4 | 38.1 | -34.4 | 0 | 0 | 0 | 113.9 | S277 K1428 | S277-P279 WeakPolarHBondContact O-CD 3.39Å; P279-K1428 HydrophobicContact CB-CD 3.87Å |
| 280 | R | 31.7 | Very low | 32.9 | Very low | 152 Ų | 152 | 130.2 Ų | 130.2 | 57% | 0.574 | 73% | 0.732 | S | S | * | * | | | trans | 44.3 | 87.8 | 130.8 | -173.8 | -172.3 | -178.7 | 149.3 | -1 | 115.5 | K278 I1429 | K278-R280 HydrophobicContact CB-CB 4.35Å; R280-I1429 VanDerWaalsContact NH1-CD1 3.27Å |
| 281 | L | 34.3 | Very low | 32.8 | Very low | 174 Ų | 174 | 129.3 Ų | 129.3 | 91% | 0.911 | 73% | 0.734 | S | S | * | * | | | trans | -132.4 | 70.1 | 167.9 | -166.4 | 69.3 | 0 | 0 | 0 | 111.1 | | |
| 282 | E | 28.1 | Very low | 32.7 | Very low | 176 Ų | 176 | 128 Ų | 128 | 82% | 0.822 | 73% | 0.73 | S | S | * | * | | | trans | -95.4 | 89.7 | 175.1 | -74.3 | 176.7 | 117.3 | 0 | 0 | 111.4 | | |
| 283 | R | 31 | Very low | 33.1 | Very low | 225 Ų | 225 | 129.3 Ų | 129.3 | 85% | 0.849 | 73% | 0.733 | S | S | * | * | | | trans | -158.1 | 112.2 | 137.2 | -171.8 | 170.5 | -178.4 | 86.2 | -1 | 107.6 | A285 | R283-A285 PolarHBondContact O-N 3.37Å; R283-A285 VanDerWaalsContact O-N 3.1Å |
| 284 | P | 34.3 | Very low | 33.8 | Very low | 128 Ų | 128 | 128.5 Ų | 128.5 | 83% | 0.831 | 74% | 0.736 | S | S | * | * | | | trans | -61.3 | 115.9 | 178.1 | -24.4 | 34.9 | 0 | 0 | 0 | 110.9 | | |
| 285 | A | 31.5 | Very low | 35 | Very low | 88 Ų | 88 | 123.7 Ų | 123.7 | 73% | 0.727 | 72% | 0.721 | S | S | * | * | | | trans | -72.5 | 140.6 | 154.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | R283 L287 | R283-A285 PolarHBondContact O-N 3.37Å; R283-A285 VanDerWaalsContact O-N 3.1Å; A285-L287 PolarHBondContact O-N 2.98Å |
| 286 | S | 31 | Very low | 37.4 | Very low | 120 Ų | 120 | 125.3 Ų | 125.3 | 84% | 0.839 | 72% | 0.724 | S | S | * | * | | | trans | -66.6 | 100.2 | 178.5 | 31.4 | 0 | 0 | 0 | 0 | 110.6 | S288 | S286-S288 PolarHBondContact O-N 3.27Š|
| 287 | L | 33.8 | Very low | 39.2 | Very low | 170 Ų | 170 | 126.3 Ų | 126.3 | 89% | 0.89 | 72% | 0.719 | S | S | * | * | | | trans | -71.8 | 78.6 | 167.2 | -91.2 | 169.4 | 0 | 0 | 0 | 110 | A285 G289 | A285-L287 PolarHBondContact O-N 2.98Å; L287-G289 PolarHBondContact O-N 2.91Å |
| 288 | S | 29 | Very low | 41.6 | Very low | 112 Ų | 112 | 130.5 Ų | 130.5 | 78% | 0.783 | 73% | 0.725 | S | S | * | * | | | trans | -67.1 | 66.3 | 154.4 | -171.8 | 0 | 0 | 0 | 0 | 109 | S286 | S286-S288 PolarHBondContact O-N 3.27Š|
| 289 | G | 30.5 | Very low | 44 | Very low | 57 Ų | 57 | 128.9 Ų | 128.9 | 59% | 0.588 | 72% | 0.722 | S | S | * | * | | | trans | -104.8 | 78.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | L287 L291 | L287-G289 PolarHBondContact O-N 2.91Å; G289-L291 PolarHBondContact O-N 3.01Å; G289-L291 VanDerWaalsContact O-N 3.11Å |
| 290 | S | 33.1 | Very low | 46.5 | Very low | 99 Ų | 99 | 131.9 Ų | 131.9 | 69% | 0.692 | 72% | 0.723 | S | S | * | * | | | trans | -55.1 | 116.2 | -173.4 | -47.8 | 0 | 0 | 0 | 0 | 111.3 | S292 | S290-S292 PolarHBondContact O-N 3.21Š|
| 291 | L | 33.7 | Very low | 49.1 | Very low | 150 Ų | 150 | 131 Ų | 131 | 79% | 0.785 | 73% | 0.725 | S | S | * | * | | | trans | -74.4 | 84.1 | 170.2 | -155.3 | 165 | 0 | 0 | 0 | 107.7 | G289 Q293 | G289-L291 PolarHBondContact O-N 3.01Å; G289-L291 VanDerWaalsContact O-N 3.11Å; L291-Q293 HydrophobicContact CD2-CB 3.83Å; L291-Q293 HydrophobicContact CD2-CG 4.47Å; L291-Q293 PolarHBondContact O-N 3.14Å |
| 292 | S | 38 | Very low | 51.9 | Low | 97 Ų | 97 | 124.7 Ų | 124.7 | 68% | 0.678 | 70% | 0.702 | S | S | * | * | | | trans | -70.4 | 65.6 | 177.2 | 56.9 | 0 | 0 | 0 | 0 | 110.4 | S290 C294 | S290-S292 PolarHBondContact O-N 3.21Å; S292-C294 PolarHBondContact O-N 3.27Å; S292-C294 PolarHBondContact O-SG 3.07Å; S292-C294 VanDerWaalsContact O-SG 3.39Å |
| 293 | Q | 43.6 | Very low | 54.9 | Low | 171 Ų | 171 | 121 Ų | 121 | 80% | 0.799 | 69% | 0.687 | S | S | * | * | | | trans | -60.3 | 109.6 | 176.8 | -163.6 | 163.8 | 11.6 | 0 | 0 | 107.4 | L291 V295 | L291-Q293 HydrophobicContact CD2-CB 3.83Å; L291-Q293 HydrophobicContact CD2-CG 4.47Å; L291-Q293 PolarHBondContact O-N 3.14Å; Q293-V295 PolarHBondContact O-N 2.93Å; Q293-V295 VanDerWaalsContact O-N 3.12Å |
| 294 | C | 52.1 | Low | 57.7 | Low | 111 Ų | 111 | 114.3 Ų | 114.3 | 75% | 0.75 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 119.1 | -153.4 | -66.3 | 0 | 0 | 0 | 0 | 111.5 | S292 P296 | S292-C294 PolarHBondContact O-N 3.27Å; S292-C294 PolarHBondContact O-SG 3.07Å; S292-C294 VanDerWaalsContact O-SG 3.39Å; C294-P296 WeakPolarHBondContact O-CD 3.49Å; C294-P296 VanDerWaalsContact O-N 3.09Å |
| 295 | V | 60 | Low | 60.3 | Low | 75 Ų | 75 | 111.1 Ų | 111.1 | 46% | 0.455 | 64% | 0.642 | S | S | . | * | P | Polyproline II helix | trans | -48.2 | 119.3 | 163.7 | 178 | 0 | 0 | 0 | 0 | 106.9 | Q293 L297 L299 R300 L303 | Q293-V295 PolarHBondContact O-N 2.93Å; Q293-V295 VanDerWaalsContact O-N 3.12Å; V295-L297 PolarHBondContact O-N 2.83Å; V295-L299 HydrophobicContact CG1-CB 3.65Å; V295-R300 HydrophobicContact CB-CB 4.43Å; V295-R300 HydrophobicContact CG1-CB 4.18Å; V295-L303 HydrophobicContact CG1-CD1 4.4Å |
| 296 | P | 78.3 | Confident | 63.2 | Low | 80 Ų | 80 | 115.1 Ų | 115.1 | 52% | 0.519 | 64% | 0.638 | S | S | . | * | P | Polyproline II helix | trans | -50.3 | 139 | -172.7 | -31.7 | 35.1 | 0 | 0 | 0 | 111.6 | C294 K298 L299 R300 | C294-P296 WeakPolarHBondContact O-CD 3.49Å; C294-P296 VanDerWaalsContact O-N 3.09Å; P296-K298 CarbonylContact O-C 3.6Å; P296-K298 PolarHBondContact O-N 3.49Å; P296-L299 HydrophobicContact CG-CD1 4.24Å; P296-L299 CarbonylContact O-C 3.28Å; P296-L299 WeakPolarHBondContact O-CA 3.47Å; P296-L299 WeakPolarHBondContact O-CB 3.02Å; P296-L299 PolarHBondContact O-N 3.41Å; P296-R300 PolarHBondContact O-N 2.8Å |
| 297 | L | 73.1 | Confident | 66.1 | Low | 144 Ų | 144 | 114 Ų | 114 | 75% | 0.754 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -50.1 | -34.6 | -169.7 | -90.3 | 162.9 | 0 | 0 | 0 | 114.3 | V295 Q301 | V295-L297 PolarHBondContact O-N 2.83Å; L297-Q301 WeakPolarHBondContact O-CB 3.47Å; L297-Q301 PolarHBondContact O-N 3.27Å |
| 298 | K | 80.6 | Confident | 69 | Low | 183 Ų | 183 | 110.9 Ų | 110.9 | 80% | 0.796 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -69.2 | -39.2 | 173 | -72.3 | -172.2 | 174.3 | -175.3 | 0 | 114.3 | P296 G302 | P296-K298 CarbonylContact O-C 3.6Å; P296-K298 PolarHBondContact O-N 3.49Å; K298-G302 PolarHBondContact O-N 3.3Å |
| 299 | L | 82 | Confident | 72 | Confident | 108 Ų | 108 | 112.5 Ų | 112.5 | 57% | 0.565 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -70.9 | -37.2 | 173.6 | -77.1 | 174.4 | 0 | 0 | 0 | 111 | V295 P296 G302 L303 | V295-L299 HydrophobicContact CG1-CB 3.65Å; P296-L299 HydrophobicContact CG-CD1 4.24Å; P296-L299 CarbonylContact O-C 3.28Å; P296-L299 WeakPolarHBondContact O-CA 3.47Å; P296-L299 WeakPolarHBondContact O-CB 3.02Å; P296-L299 PolarHBondContact O-N 3.41Å; L299-G302 PolarHBondContact O-N 2.89Å; L299-L303 WeakPolarHBondContact O-CB 3.38Å; L299-L303 WeakPolarHBondContact O-CG 3.46Å; L299-L303 PolarHBondContact O-N 3.48Å |
| 300 | R | 86.5 | Confident | 74.9 | Confident | 150 Ų | 150 | 114 Ų | 114 | 57% | 0.566 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -64.5 | -51.3 | 173.8 | -174.8 | 170.3 | 178.2 | 173.8 | 3.1 | 111.1 | V295 P296 G302 L303 D304 | V295-R300 HydrophobicContact CB-CB 4.43Å; V295-R300 HydrophobicContact CG1-CB 4.18Å; P296-R300 PolarHBondContact O-N 2.8Å; R300-G302 VanDerWaalsContact C-N 3.26Å; R300-G302 PolarHBondContact O-N 3.28Å; R300-L303 PolarHBondContact O-N 3.3Å; R300-L303 VanDerWaalsContact O-N 3.16Å; R300-D304 WeakPolarHBondContact CG-OD2 3.48Å; R300-D304 IonicContact NE-OD2 3.74Å; R300-D304 WeakPolarHBondContact O-CB 3.19Å; R300-D304 PolarHBondContact O-N 3Å |
| 301 | Q | 87 | Confident | 77.7 | Confident | 133 Ų | 133 | 115.3 Ų | 115.3 | 62% | 0.621 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -56.6 | -38.4 | 170.7 | -82.3 | -175.5 | -44.6 | 0 | 0 | 112.6 | L297 E305 | L297-Q301 WeakPolarHBondContact O-CB 3.47Å; L297-Q301 PolarHBondContact O-N 3.27Å; Q301-E305 WeakPolarHBondContact O-CB 3.43Å; Q301-E305 PolarHBondContact O-N 3.46Å |
| 302 | G | 92.9 | Very high | 80.4 | Confident | 41 Ų | 41 | 112.8 Ų | 112.8 | 42% | 0.423 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -68.8 | -30.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | K298 L299 R300 R306 | K298-G302 PolarHBondContact O-N 3.3Å; L299-G302 PolarHBondContact O-N 2.89Å; R300-G302 VanDerWaalsContact C-N 3.26Å; R300-G302 PolarHBondContact O-N 3.28Å; G302-R306 WeakPolarHBondContact O-CB 3.42Å; G302-R306 PolarHBondContact O-N 3.03Å |
| 303 | L | 91.6 | Very high | 82.7 | Confident | 100 Ų | 100 | 115.1 Ų | 115.1 | 52% | 0.524 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -79 | -49.1 | 172.1 | -70.7 | 171.1 | 0 | 0 | 0 | 110.9 | V295 L299 R300 E305 R306 E307 | V295-L303 HydrophobicContact CG1-CD1 4.4Å; L299-L303 WeakPolarHBondContact O-CB 3.38Å; L299-L303 WeakPolarHBondContact O-CG 3.46Å; L299-L303 PolarHBondContact O-N 3.48Å; R300-L303 PolarHBondContact O-N 3.3Å; R300-L303 VanDerWaalsContact O-N 3.16Å; L303-E305 VanDerWaalsContact C-N 3.32Å; L303-E305 PolarHBondContact O-N 2.84Å; L303-R306 PolarHBondContact O-N 2.94Å; L303-R306 VanDerWaalsContact O-N 3.12Å; L303-E307 WeakPolarHBondContact O-CB 3.45Å; L303-E307 PolarHBondContact O-N 3.25Å |
| 304 | D | 88.6 | Confident | 84.6 | Confident | 83 Ų | 83 | 113.7 Ų | 113.7 | 44% | 0.444 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -57.4 | -42.9 | 177.5 | -64.6 | -16.9 | 0 | 0 | 0 | 110.9 | R300 R308 | R300-D304 WeakPolarHBondContact CG-OD2 3.48Å; R300-D304 IonicContact NE-OD2 3.74Å; R300-D304 WeakPolarHBondContact O-CB 3.19Å; R300-D304 PolarHBondContact O-N 3Å; D304-R308 VanDerWaalsContact O-CB 3.25Å; D304-R308 WeakPolarHBondContact O-CB 3.31Å; D304-R308 PolarHBondContact O-N 3.44Å |
| 305 | E | 90.1 | Very high | 85.8 | Confident | 62 Ų | 62 | 113.1 Ų | 113.1 | 29% | 0.29 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -72 | -35.3 | 175.9 | 176.3 | 60.2 | -169 | 0 | 0 | 112.6 | Q301 L303 R308 R309 | Q301-E305 WeakPolarHBondContact O-CB 3.43Å; Q301-E305 PolarHBondContact O-N 3.46Å; L303-E305 VanDerWaalsContact C-N 3.32Å; L303-E305 PolarHBondContact O-N 2.84Å; E305-R308 PolarHBondContact O-N 3.26Å; E305-R308 IonicContact OE1-CZ 2.58Å; E305-R308 IonicContact OE1-NE 2.73Å; E305-R308 IonicContact OE1-NH2 2.9Å; E305-R308 PolarHBondContact OE1-NH2 2.78Å; E305-R308 IonicContact OE2-CZ 2.81Å; E305-R308 IonicContact OE2-NE 2.89Å; E305-R308 PolarHBondContact OE2-NE 3.5Å; E305-R308 IonicContact OE2-NH2 2.62Å; E305-R308 PolarHBondContact OE2-NH2 3.04Å; E305-R309 WeakPolarHBondContact O-CB 3.32Å; E305-R309 WeakPolarHBondContact O-CG 3.49Å; E305-R309 PolarHBondContact O-N 3.35Å; E305-R309 IonicContact OE1-CZ 2.98Å; E305-R309 IonicContact OE1-NE 2.76Å; E305-R309 PolarHBondContact OE1-NE 2.96Å; E305-R309 IonicContact OE1-NH2 2.67Å; E305-R309 PolarHBondContact OE1-NH2 2.88Å |
| 306 | R | 91.8 | Very high | 86.5 | Confident | 171 Ų | 171 | 114.7 Ų | 114.7 | 65% | 0.645 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -65.2 | -45.3 | 173.5 | 179.6 | -177.8 | -66.7 | -146.5 | -2 | 110.4 | G302 L303 R309 I310 | G302-R306 WeakPolarHBondContact O-CB 3.42Å; G302-R306 PolarHBondContact O-N 3.03Å; L303-R306 PolarHBondContact O-N 2.94Å; L303-R306 VanDerWaalsContact O-N 3.12Å; R306-R309 PolarHBondContact O-N 2.71Å; R306-I310 HydrophobicContact CG-CD1 4.01Å; R306-I310 VanDerWaalsContact O-CG1 3.28Å; R306-I310 WeakPolarHBondContact O-CG1 3.5Å; R306-I310 PolarHBondContact O-N 2.89Å |
| 307 | E | 92.6 | Very high | 86.2 | Confident | 96 Ų | 96 | 115.5 Ų | 115.5 | 45% | 0.449 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -67.9 | -38.1 | 177.1 | -164 | -178.4 | 146.1 | 0 | 0 | 111.3 | L303 R309 I310 K311 | L303-E307 WeakPolarHBondContact O-CB 3.45Å; L303-E307 PolarHBondContact O-N 3.25Å; E307-R309 PolarHBondContact O-N 3.38Å; E307-I310 PolarHBondContact O-N 3.02Å; E307-K311 HydrophobicContact CG-CD 4.39Å; E307-K311 WeakPolarHBondContact O-CB 3.37Å; E307-K311 WeakPolarHBondContact O-CG 3.45Å; E307-K311 PolarHBondContact O-N 3.34Å; E307-K311 WeakPolarHBondContact OE1-CE 3.42Å; E307-K311 IonicContact OE1-NZ 3.41Å; E307-K311 PolarHBondContact OE1-NZ 3.08Å |
| 308 | R | 93.2 | Very high | 86.2 | Confident | 105 Ų | 105 | 115.3 Ų | 115.3 | 40% | 0.396 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -57.6 | -47.8 | 170.6 | -166.2 | -165.2 | 68.5 | 67 | 12.8 | 110.9 | D304 E305 I310 K311 E312 | D304-R308 VanDerWaalsContact O-CB 3.25Å; D304-R308 WeakPolarHBondContact O-CB 3.31Å; D304-R308 PolarHBondContact O-N 3.44Å; E305-R308 PolarHBondContact O-N 3.26Å; E305-R308 IonicContact OE1-CZ 2.58Å; E305-R308 IonicContact OE1-NE 2.73Å; E305-R308 IonicContact OE1-NH2 2.9Å; E305-R308 PolarHBondContact OE1-NH2 2.78Å; E305-R308 IonicContact OE2-CZ 2.81Å; E305-R308 IonicContact OE2-NE 2.89Å; E305-R308 PolarHBondContact OE2-NE 3.5Å; E305-R308 IonicContact OE2-NH2 2.62Å; E305-R308 PolarHBondContact OE2-NH2 3.04Å; R308-I310 PolarHBondContact O-N 3.46Å; R308-K311 PolarHBondContact O-N 3.37Å; R308-E312 IonicContact CZ-OE2 3.8Å; R308-E312 IonicContact NH1-OE1 3.4Å; R308-E312 PolarHBondContact NH1-OE1 3.47Å; R308-E312 IonicContact NH1-OE2 3.66Å; R308-E312 PolarHBondContact NH1-OE2 3.25Å; R308-E312 IonicContact NH2-OE2 3.21Å; R308-E312 PolarHBondContact NH2-OE2 3.45Å; R308-E312 VanDerWaalsContact NH2-OE2 3.16Å; R308-E312 WeakPolarHBondContact O-CB 3.4Å; R308-E312 PolarHBondContact O-N 2.99Å |
| 309 | R | 92.9 | Very high | 85.4 | Confident | 146 Ų | 146 | 113.2 Ų | 113.2 | 55% | 0.551 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.8 | -35.8 | 176.3 | -73.4 | 178.3 | -165.5 | -146.3 | -3.7 | 113.3 | E305 R306 E307 K313 | E305-R309 WeakPolarHBondContact O-CB 3.32Å; E305-R309 WeakPolarHBondContact O-CG 3.49Å; E305-R309 PolarHBondContact O-N 3.35Å; E305-R309 IonicContact OE1-CZ 2.98Å; E305-R309 IonicContact OE1-NE 2.76Å; E305-R309 PolarHBondContact OE1-NE 2.96Å; E305-R309 IonicContact OE1-NH2 2.67Å; E305-R309 PolarHBondContact OE1-NH2 2.88Å; R306-R309 PolarHBondContact O-N 2.71Å; E307-R309 PolarHBondContact O-N 3.38Å; R309-K313 WeakPolarHBondContact O-CB 3.44Å; R309-K313 WeakPolarHBondContact O-CG 3.26Å; R309-K313 PolarHBondContact O-N 2.89Å |
| 310 | I | 92.1 | Very high | 84 | Confident | 89 Ų | 89 | 114.5 Ų | 114.5 | 46% | 0.456 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66.9 | -45 | 174.9 | -70.2 | 163.9 | 0 | 0 | 0 | 110.2 | R306 E307 R308 Q314 | R306-I310 HydrophobicContact CG-CD1 4.01Å; R306-I310 VanDerWaalsContact O-CG1 3.28Å; R306-I310 WeakPolarHBondContact O-CG1 3.5Å; R306-I310 PolarHBondContact O-N 2.89Å; E307-I310 PolarHBondContact O-N 3.02Å; R308-I310 PolarHBondContact O-N 3.46Å; I310-Q314 WeakPolarHBondContact O-CB 2.95Å; I310-Q314 WeakPolarHBondContact O-CG 3.28Å; I310-Q314 PolarHBondContact O-N 2.99Å |
| 311 | K | 91 | Very high | 82.1 | Confident | 127 Ų | 127 | 112.1 Ų | 112.1 | 55% | 0.552 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -67.8 | -37.1 | 176.1 | -71.9 | 176.6 | -176.7 | 171.3 | 0 | 112.4 | E307 R308 Q314 L315 | E307-K311 HydrophobicContact CG-CD 4.39Å; E307-K311 WeakPolarHBondContact O-CB 3.37Å; E307-K311 WeakPolarHBondContact O-CG 3.45Å; E307-K311 PolarHBondContact O-N 3.34Å; E307-K311 WeakPolarHBondContact OE1-CE 3.42Å; E307-K311 IonicContact OE1-NZ 3.41Å; E307-K311 PolarHBondContact OE1-NZ 3.08Å; R308-K311 PolarHBondContact O-N 3.37Å; K311-Q314 PolarHBondContact O-N 3.25Å; K311-L315 VanDerWaalsContact O-CB 3.26Å; K311-L315 WeakPolarHBondContact O-CB 3.47Å; K311-L315 PolarHBondContact O-N 2.9Å |
| 312 | E | 89.7 | Confident | 80 | Confident | 96 Ų | 96 | 110.8 Ų | 110.8 | 45% | 0.449 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.2 | -51.2 | 173.8 | -179.8 | 164.4 | -114 | 0 | 0 | 110.7 | R308 Q314 L315 E316 | R308-E312 IonicContact CZ-OE2 3.8Å; R308-E312 IonicContact NH1-OE1 3.4Å; R308-E312 PolarHBondContact NH1-OE1 3.47Å; R308-E312 IonicContact NH1-OE2 3.66Å; R308-E312 PolarHBondContact NH1-OE2 3.25Å; R308-E312 IonicContact NH2-OE2 3.21Å; R308-E312 PolarHBondContact NH2-OE2 3.45Å; R308-E312 VanDerWaalsContact NH2-OE2 3.16Å; R308-E312 WeakPolarHBondContact O-CB 3.4Å; R308-E312 PolarHBondContact O-N 2.99Å; E312-Q314 PolarHBondContact O-N 2.75Å; E312-L315 PolarHBondContact O-N 2.64Å; E312-L315 VanDerWaalsContact O-N 3.17Å; E312-E316 WeakPolarHBondContact O-CB 3.33Å; E312-E316 PolarHBondContact O-N 2.72Å |
| 313 | K | 87.7 | Confident | 77.3 | Confident | 147 Ų | 147 | 113.5 Ų | 113.5 | 64% | 0.639 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -61.7 | -40.9 | 173.9 | -76.1 | -166.9 | 171.7 | -161.1 | 0 | 112.9 | R309 L315 E316 V317 | R309-K313 WeakPolarHBondContact O-CB 3.44Å; R309-K313 WeakPolarHBondContact O-CG 3.26Å; R309-K313 PolarHBondContact O-N 2.89Å; K313-L315 VanDerWaalsContact C-N 3.35Å; K313-E316 PolarHBondContact O-N 2.89Å; K313-V317 WeakPolarHBondContact O-CB 3.39Å; K313-V317 VanDerWaalsContact O-CG2 3.28Å; K313-V317 WeakPolarHBondContact O-CG2 3.27Å; K313-V317 PolarHBondContact O-N 2.76Å |
| 314 | Q | 82.8 | Confident | 74.7 | Confident | 141 Ų | 141 | 111.9 Ų | 111.9 | 66% | 0.659 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -65.9 | -36.1 | 174.2 | -79.8 | -156.9 | 36 | 0 | 0 | 112.5 | I310 K311 E312 K318 | I310-Q314 WeakPolarHBondContact O-CB 2.95Å; I310-Q314 WeakPolarHBondContact O-CG 3.28Å; I310-Q314 PolarHBondContact O-N 2.99Å; K311-Q314 PolarHBondContact O-N 3.25Å; E312-Q314 PolarHBondContact O-N 2.75Å; Q314-K318 WeakPolarHBondContact O-CB 3.39Å; Q314-K318 PolarHBondContact O-N 2.86Å |
| 315 | L | 77.7 | Confident | 72.2 | Confident | 99 Ų | 99 | 116.5 Ų | 116.5 | 52% | 0.518 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -73.4 | -31.5 | 176.6 | -158.3 | 79.9 | 0 | 0 | 0 | 111.8 | K311 E312 K313 K319 | K311-L315 VanDerWaalsContact O-CB 3.26Å; K311-L315 WeakPolarHBondContact O-CB 3.47Å; K311-L315 PolarHBondContact O-N 2.9Å; E312-L315 PolarHBondContact O-N 2.64Å; E312-L315 VanDerWaalsContact O-N 3.17Å; K313-L315 VanDerWaalsContact C-N 3.35Å; L315-K319 VanDerWaalsContact O-CB 3.31Å; L315-K319 WeakPolarHBondContact O-CB 3.2Å; L315-K319 WeakPolarHBondContact O-CG 3.31Å; L315-K319 PolarHBondContact O-N 2.86Å |
| 316 | E | 74.4 | Confident | 69.6 | Low | 107 Ų | 107 | 119.6 Ų | 119.6 | 50% | 0.5 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -69.7 | -49.9 | 173 | -177.1 | 166.7 | -141.4 | 0 | 0 | 111.3 | E312 K313 K318 K319 Q320 | E312-E316 WeakPolarHBondContact O-CB 3.33Å; E312-E316 PolarHBondContact O-N 2.72Å; K313-E316 PolarHBondContact O-N 2.89Å; E316-K318 VanDerWaalsContact C-N 3.28Å; E316-K318 PolarHBondContact O-N 3.25Å; E316-K319 PolarHBondContact O-N 2.72Å; E316-K319 VanDerWaalsContact O-N 3.1Å; E316-Q320 WeakPolarHBondContact O-CG 3.28Å; E316-Q320 PolarHBondContact O-N 3.15Å |
| 317 | V | 72.8 | Confident | 66.9 | Low | 97 Ų | 97 | 118.4 Ų | 118.4 | 59% | 0.588 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -57.1 | -42.1 | 170.8 | 169.6 | 0 | 0 | 0 | 0 | 110.7 | K313 Q320 S321 | K313-V317 WeakPolarHBondContact O-CB 3.39Å; K313-V317 VanDerWaalsContact O-CG2 3.28Å; K313-V317 WeakPolarHBondContact O-CG2 3.27Å; K313-V317 PolarHBondContact O-N 2.76Å; V317-Q320 PolarHBondContact O-N 3Å; V317-S321 WeakPolarHBondContact O-CB 3.44Å; V317-S321 PolarHBondContact O-N 2.92Å |
| 318 | K | 72.2 | Confident | 64.1 | Low | 141 Ų | 141 | 122.5 Ų | 122.5 | 61% | 0.613 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -68.3 | -34.6 | 176 | -171.5 | 164.7 | -175.5 | 169 | 0 | 112.6 | Q314 E316 T322 | Q314-K318 WeakPolarHBondContact O-CB 3.39Å; Q314-K318 PolarHBondContact O-N 2.86Å; E316-K318 VanDerWaalsContact C-N 3.28Å; E316-K318 PolarHBondContact O-N 3.25Å; K318-T322 VanDerWaalsContact O-CB 3.23Å; K318-T322 WeakPolarHBondContact O-CB 3.12Å; K318-T322 PolarHBondContact O-N 3.33Å; K318-T322 PolarHBondContact O-OG1 3.11Å |
| 319 | K | 63 | Low | 61.3 | Low | 139 Ų | 139 | 124.7 Ų | 124.7 | 60% | 0.604 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -67.7 | -44.4 | 173.9 | -81.5 | 170.5 | 178.7 | -178.1 | 0 | 111.8 | L315 E316 T322 | L315-K319 VanDerWaalsContact O-CB 3.31Å; L315-K319 WeakPolarHBondContact O-CB 3.2Å; L315-K319 WeakPolarHBondContact O-CG 3.31Å; L315-K319 PolarHBondContact O-N 2.86Å; E316-K319 PolarHBondContact O-N 2.72Å; E316-K319 VanDerWaalsContact O-N 3.1Å; K319-T322 CarbonylContact O-C 3.28Å; K319-T322 PolarHBondContact O-N 3.07Å |
| 320 | Q | 53.1 | Low | 58.2 | Low | 134 Ų | 134 | 123.6 Ų | 123.6 | 63% | 0.626 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -64.2 | -42.8 | 175 | -66.7 | -179.9 | 15.1 | 0 | 0 | 110.9 | E316 V317 T322 S323 | E316-Q320 WeakPolarHBondContact O-CG 3.28Å; E316-Q320 PolarHBondContact O-N 3.15Å; V317-Q320 PolarHBondContact O-N 3Å; Q320-T322 VanDerWaalsContact C-N 3.28Å; Q320-T322 PolarHBondContact O-N 3.35Å; Q320-S323 PolarHBondContact O-OG 2.7Å |
| 321 | S | 47.5 | Very low | 55 | Low | 100 Ų | 100 | 125.2 Ų | 125.2 | 70% | 0.699 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -71.4 | -14.8 | 175.7 | -167.2 | 0 | 0 | 0 | 0 | 114.4 | V317 | V317-S321 WeakPolarHBondContact O-CB 3.44Å; V317-S321 PolarHBondContact O-N 2.92Å |
| 322 | T | 41.6 | Very low | 52.2 | Low | 106 Ų | 106 | 125.3 Ų | 125.3 | 65% | 0.65 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.1 | 43.2 | 175.9 | -37.6 | 0 | 0 | 0 | 0 | 111.4 | K318 K319 Q320 | K318-T322 VanDerWaalsContact O-CB 3.23Å; K318-T322 WeakPolarHBondContact O-CB 3.12Å; K318-T322 PolarHBondContact O-N 3.33Å; K318-T322 PolarHBondContact O-OG1 3.11Å; K319-T322 CarbonylContact O-C 3.28Å; K319-T322 PolarHBondContact O-N 3.07Å; Q320-T322 VanDerWaalsContact C-N 3.28Å; Q320-T322 PolarHBondContact O-N 3.35Å |
| 323 | S | 37.5 | Very low | 49.1 | Very low | 97 Ų | 97 | 125.9 Ų | 125.9 | 68% | 0.678 | 69% | 0.688 | S | S | * | * | | | trans | -133.5 | 38.9 | 175.9 | 66.2 | 0 | 0 | 0 | 0 | 114.1 | Q320 | Q320-S323 PolarHBondContact O-OG 2.7Š|
| 324 | G | 37.5 | Very low | 46.4 | Very low | 66 Ų | 66 | 127.1 Ų | 127.1 | 68% | 0.68 | 70% | 0.698 | S | S | * | * | | | trans | -170.6 | 140.1 | 168 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 325 | M | 35.7 | Very low | 43.7 | Very low | 180 Ų | 180 | 123 Ų | 123 | 89% | 0.887 | 69% | 0.685 | S | S | * | * | | | cis | -124.8 | 144.1 | 3.3 | -74.3 | 158.5 | 46.8 | 0 | 0 | 111 | N327 | M325-N327 PolarHBondContact O-N 2.86Š|
| 326 | V | 34.5 | Very low | 41.5 | Very low | 128 Ų | 128 | 123.7 Ų | 123.7 | 78% | 0.776 | 69% | 0.689 | S | S | * | * | | | trans | -77.6 | 114.9 | 172.1 | 175.3 | 0 | 0 | 0 | 0 | 109.6 | K328 | V326-K328 PolarHBondContact O-N 2.85Š|
| 327 | N | 34.8 | Very low | 39.4 | Very low | 145 Ų | 145 | 119.9 Ų | 119.9 | 78% | 0.775 | 67% | 0.674 | S | S | * | * | | | trans | -69.6 | 124.2 | 169 | -106.6 | -7.2 | 0 | 0 | 0 | 110.1 | M325 N329 | M325-N327 PolarHBondContact O-N 2.86Å; N327-N329 PolarHBondContact O-N 2.93Å |
| 328 | K | 33.9 | Very low | 37.3 | Very low | 183 Ų | 183 | 121.4 Ų | 121.4 | 80% | 0.796 | 67% | 0.673 | S | S | * | * | | | trans | -93.9 | 73 | -168.6 | -65.6 | 177.3 | -177.7 | 171.2 | 0 | 112 | V326 T330 | V326-K328 PolarHBondContact O-N 2.85Å; K328-T330 VanDerWaalsContact C-N 3.31Å; K328-T330 PolarHBondContact O-N 3.39Å |
| 329 | N | 34.2 | Very low | 35.2 | Very low | 151 Ų | 151 | 119.9 Ų | 119.9 | 81% | 0.807 | 67% | 0.666 | S | S | * | * | | | trans | -77.4 | 83.5 | 173.4 | -77.7 | 29 | 0 | 0 | 0 | 111.7 | N327 | N327-N329 PolarHBondContact O-N 2.93Š|
| 330 | T | 28.4 | Very low | 33.8 | Very low | 122 Ų | 122 | 117.1 Ų | 117.1 | 75% | 0.748 | 67% | 0.665 | S | S | * | * | | | trans | 26.9 | 111.6 | 132.5 | -51.2 | 0 | 0 | 0 | 0 | 118.3 | K328 | K328-T330 VanDerWaalsContact C-N 3.31Å; K328-T330 PolarHBondContact O-N 3.39Å |
| 331 | V | 25.7 | Very low | 32.6 | Very low | 123 Ų | 123 | 114.7 Ų | 114.7 | 75% | 0.745 | 66% | 0.659 | S | S | * | * | | | trans | 62.3 | 109.9 | 150.5 | -179 | 0 | 0 | 0 | 0 | 117.6 | | |
| 332 | T | 31.3 | Very low | 31.6 | Very low | 129 Ų | 129 | 111.2 Ų | 111.2 | 79% | 0.791 | 63% | 0.634 | S | S | * | * | | | | -152.9 | 134.4 | 109.1 | -76.4 | 0 | 0 | 0 | 0 | 111.4 | | |
| 333 | T | 25.5 | Very low | 31 | Very low | 109 Ų | 109 | 112.8 Ų | 112.8 | 67% | 0.669 | 64% | 0.644 | S | S | * | * | | | trans | -21.6 | 127.8 | 162.6 | -40.4 | 0 | 0 | 0 | 0 | 116.3 | | |
| 334 | M | 29.8 | Very low | 30.5 | Very low | 173 Ų | 173 | 112.5 Ų | 112.5 | 85% | 0.852 | 64% | 0.638 | S | S | * | * | | | | -170.9 | 129.7 | 117.1 | -99.5 | -59.6 | -96.1 | 0 | 0 | 113.4 | N336 | M334-N336 PolarHBondContact O-N 3.46Š|
| 335 | S | 26.4 | Very low | 30.1 | Very low | 54 Ų | 54 | 118.2 Ų | 118.2 | 38% | 0.378 | 64% | 0.644 | S | S | . | * | | | trans | -71.6 | 114.9 | -174.6 | -50.8 | 0 | 0 | 0 | 0 | 113.1 | | |
| 336 | N | 32.2 | Very low | 29.7 | Very low | 113 Ų | 113 | 114.8 Ų | 114.8 | 60% | 0.604 | 64% | 0.638 | S | S | * | * | | | trans | -159.5 | 106.7 | 145.8 | -83.1 | -60.3 | 0 | 0 | 0 | 108.9 | M334 K912 | M334-N336 PolarHBondContact O-N 3.46Å; N336-K912 VanDerWaalsContact OD1-CE 3.26Å; N336-K912 WeakPolarHBondContact OD1-CE 3.5Å; N336-K912 PolarHBondContact OD1-NZ 3.08Å |
| 337 | S | 28.9 | Very low | 29.3 | Very low | 27 Ų | 27 | 119.2 Ų | 119.2 | 19% | 0.189 | 64% | 0.64 | C | S | . | * | | | | 65.8 | 81.9 | 69.6 | 82.2 | 0 | 0 | 0 | 0 | 112.4 | Q910 K912 | S337-Q910 VanDerWaalsContact CA-O 3.28Å; S337-Q910 WeakPolarHBondContact CA-O 3.33Å; S337-K912 VanDerWaalsContact OG-CB 3.27Å; S337-K912 WeakPolarHBondContact OG-CB 3.38Å; S337-K912 WeakPolarHBondContact OG-CD 3.18Å; S337-K912 WeakPolarHBondContact OG-CG 3.32Å |
| 338 | K | 30.6 | Very low | 29 | Very low | 130 Ų | 130 | 117.9 Ų | 117.9 | 57% | 0.565 | 64% | 0.638 | S | S | * | * | | | | 62.8 | 92.2 | 62.6 | -175.1 | -175.1 | 163.2 | -177.5 | 0 | 116 | T911 K912 | K338-T911 HydrophobicContact CD-CG2 3.7Å; K338-T911 HydrophobicContact CG-CG2 4.25Å; K338-K912 CarbonylContact C-O 3.06Å; K338-K912 VanDerWaalsContact C-O 3.28Å; K338-K912 CarbonylContact O-C 3.5Å; K338-K912 VanDerWaalsContact O-C 3.29Å; K338-K912 PolarHBondContact O-N 2.82Å |
| 339 | F | 26.6 | Very low | 28.6 | Very low | 108 Ų | 108 | 115.8 Ų | 115.8 | 47% | 0.474 | 64% | 0.635 | S | S | . | * | | | trans | 159.8 | 175.3 | 137.4 | -82.7 | -83.8 | 0 | 0 | 0 | 111.9 | T911 K912 Q913 L914 | F339-T911 HydrophobicContact CD2-CG2 4.04Å; F339-T911 HydrophobicContact CE2-CG2 3.58Å; F339-T911 HydrophobicContact CZ-CG2 4.41Å; F339-K912 WeakPolarHBondContact CB-O 3.47Å; F339-K912 PolarHBondContact N-O 2.93Å; F339-Q913 HydrophobicContact CD2-CB 4.28Å; F339-Q913 HydrophobicContact CD2-CG 3.7Å; F339-Q913 HydrophobicContact CE2-CG 3.54Å; F339-Q913 HydrophobicContact CZ-CG 4.24Å; F339-L914 WeakPolarHBondContact CB-O 3.45Å |
| 340 | S | 34.5 | Very low | 28.2 | Very low | 81 Ų | 81 | 115.4 Ų | 115.4 | 57% | 0.566 | 63% | 0.63 | S | S | * | * | | | trans | -156.6 | 100.8 | -176.6 | -175.7 | 0 | 0 | 0 | 0 | 118.1 | P915 Q916 | S340-P915 CarbonylContact C-O 3.29Å; S340-P915 CarbonylContact O-C 3.53Å; S340-Q916 CarbonylContact O-C 3.56Å; S340-Q916 WeakPolarHBondContact O-CA 3.41Å; S340-Q916 PolarHBondContact O-N 3.05Å; S340-Q916 VanDerWaalsContact O-O 3.11Å |
| 341 | T | 26.8 | Very low | 28.2 | Very low | 83 Ų | 83 | 116.5 Ų | 116.5 | 51% | 0.509 | 63% | 0.631 | S | S | . | * | | | trans | -116.3 | 129.3 | -149.1 | -33.9 | 0 | 0 | 0 | 0 | 98.6 | L914 P915 Q916 | T341-L914 VanDerWaalsContact N-C 3.3Å; T341-L914 PolarHBondContact OG1-O 3.31Å; T341-P915 HydrophobicContact CG2-CB 2.7Å; T341-P915 HydrophobicContact CG2-CG 3.04Å; T341-P915 VanDerWaalsContact O-CD 3.25Å; T341-P915 WeakPolarHBondContact O-CD 3.32Å; T341-P915 WeakPolarHBondContact O-CG 3.45Å; T341-P915 WeakPolarHBondContact OG1-CA 3.49Å; T341-P915 WeakPolarHBondContact OG1-CB 3.43Å; T341-P915 VanDerWaalsContact OG1-CD 3.25Å; T341-P915 WeakPolarHBondContact OG1-CD 3.33Å; T341-Q916 CarbonylContact C-O 3.46Å; T341-Q916 VanDerWaalsContact C-O 3.31Å |
| 342 | T | 26.5 | Very low | 28.1 | Very low | 28 Ų | 28 | 119 Ų | 119 | 17% | 0.172 | 64% | 0.635 | C | S | . | * | | | trans | -47.8 | 106.5 | 135.7 | 32.9 | 0 | 0 | 0 | 0 | 113.9 | T344 P915 Q916 F917 | T342-T344 PolarHBondContact O-N 3.44Å; T342-P915 WeakPolarHBondContact O-CB 3.2Å; T342-P915 WeakPolarHBondContact O-CG 3.35Å; T342-P915 WeakPolarHBondContact OG1-CB 3.09Å; T342-Q916 PolarHBondContact N-O 3.48Å; T342-Q916 PolarHBondContact OG1-O 2.96Å; T342-Q916 VanDerWaalsContact OG1-O 3.11Å; T342-F917 HydrophobicContact CG2-CB 4.22Å; T342-F917 HydrophobicContact CG2-CD1 3.44Å; T342-F917 VanDerWaalsContact CG2-CD1 3.44Å; T342-F917 HydrophobicContact CG2-CD2 3.43Å; T342-F917 VanDerWaalsContact CG2-CD2 3.43Å; T342-F917 HydrophobicContact CG2-CE1 3.49Å; T342-F917 VanDerWaalsContact CG2-CE1 3.49Å; T342-F917 HydrophobicContact CG2-CE2 3.49Å; T342-F917 VanDerWaalsContact CG2-CE2 3.49Å; T342-F917 HydrophobicContact CG2-CG 3.41Å; T342-F917 VanDerWaalsContact CG2-CG 3.41Å; T342-F917 HydrophobicContact CG2-CZ 3.53Å |
| 343 | T | 30.7 | Very low | 27.8 | Very low | 139 Ų | 139 | 118.4 Ų | 118.4 | 85% | 0.853 | 63% | 0.626 | S | S | * | * | | | trans | -86.3 | 97.1 | 147.5 | 29.2 | 0 | 0 | 0 | 0 | 107.6 | | |
| 344 | T | 25.6 | Very low | 27.8 | Very low | 91 Ų | 91 | 120.2 Ų | 120.2 | 56% | 0.558 | 63% | 0.627 | S | S | * | * | | | trans | -60.1 | 160.9 | 173.3 | 67.2 | 0 | 0 | 0 | 0 | 111.5 | T342 | T342-T344 PolarHBondContact O-N 3.44Š|
| 345 | K | 28.4 | Very low | 27.7 | Very low | 185 Ų | 185 | 119.6 Ų | 119.6 | 80% | 0.804 | 62% | 0.619 | S | S | * | * | | | trans | 76.4 | 102.4 | 156.4 | -63 | 158.1 | -173.1 | 165.9 | 0 | 118.1 | | |
| 346 | S | 27.7 | Very low | 27.9 | Very low | 108 Ų | 108 | 120.3 Ų | 120.3 | 76% | 0.755 | 62% | 0.622 | S | S | * | * | | | | 108.3 | 143 | 101.6 | 75.5 | 0 | 0 | 0 | 0 | 121.1 | | |
| 347 | R | 27.1 | Very low | 27.8 | Very low | 221 Ų | 221 | 120.5 Ų | 120.5 | 83% | 0.834 | 62% | 0.619 | S | S | * | * | | | trans | 86.2 | 127.9 | 139.4 | -152.7 | -178.6 | -173.8 | 161.9 | 2.2 | 119.3 | | |
| 348 | T | 27.7 | Very low | 27.6 | Very low | 118 Ų | 118 | 121.9 Ų | 121.9 | 72% | 0.724 | 63% | 0.628 | S | S | * | * | | | trans | 59.1 | 114.9 | 162.1 | 36.8 | 0 | 0 | 0 | 0 | 116.9 | | |
| 349 | N | 26.3 | Very low | 27.7 | Very low | 138 Ų | 138 | 127.6 Ų | 127.6 | 74% | 0.738 | 65% | 0.646 | S | S | * | * | | | | 79.2 | 131 | 60.2 | -169.1 | 32.2 | 0 | 0 | 0 | 113.6 | | |
| 350 | M | 26.1 | Very low | 27.5 | Very low | 144 Ų | 144 | 125.9 Ų | 125.9 | 71% | 0.709 | 66% | 0.659 | S | S | * | * | | | trans | 62.4 | 104.2 | -172.8 | -49.6 | -60.4 | -86.2 | 0 | 0 | 113.7 | | |
| 351 | N | 27.2 | Very low | 27.3 | Very low | 144 Ų | 144 | 126.5 Ų | 126.5 | 77% | 0.77 | 67% | 0.669 | S | S | * | * | | | | 58.8 | 100 | 77.1 | -73.3 | -16.9 | 0 | 0 | 0 | 114.3 | | |
| 352 | E | 23.2 | Very low | 27.1 | Very low | 177 Ų | 177 | 127.5 Ų | 127.5 | 83% | 0.827 | 68% | 0.679 | S | S | * | * | | | | -165.6 | 135.6 | 123.4 | -109.4 | -171.5 | 130.5 | 0 | 0 | 114 | | |
| 353 | I | 25 | Very low | 27.2 | Very low | 116 Ų | 116 | 134.1 Ų | 134.1 | 60% | 0.595 | 71% | 0.713 | S | S | * | * | | | trans | 82.5 | 106.7 | 139.1 | -78.7 | 169.7 | 0 | 0 | 0 | 122.6 | | |
| 354 | Q | 26.2 | Very low | 27.3 | Very low | 146 Ų | 146 | 132.6 Ų | 132.6 | 68% | 0.682 | 71% | 0.707 | S | S | * | * | | | trans | 69.5 | 152.6 | 142.6 | -60.6 | 170.7 | 37.5 | 0 | 0 | 118.3 | | |
| 355 | K | 27.7 | Very low | 27.6 | Very low | 160 Ų | 160 | 132.7 Ų | 132.7 | 70% | 0.696 | 72% | 0.717 | S | S | * | * | | | cis | -163 | 151.8 | 26 | -152.1 | 170.5 | -172.6 | 163.4 | 0 | 109.7 | | |
| 356 | T | 29.9 | Very low | 27.6 | Very low | 70 Ų | 70 | 134.3 Ų | 134.3 | 43% | 0.429 | 73% | 0.725 | S | S | . | * | | | cis | 96.3 | 57.5 | 20.3 | 67.9 | 0 | 0 | 0 | 0 | 118.8 | T1691 D1692 | T356-T1691 VanDerWaalsContact CA-OG1 3.25Å; T356-T1691 WeakPolarHBondContact CA-OG1 3.02Å; T356-T1691 HydrophobicContact CG2-CG2 4.17Å; T356-T1691 PolarHBondContact N-OG1 3.14Å; T356-T1691 VanDerWaalsContact N-OG1 3.09Å; T356-D1692 VanDerWaalsContact CG2-OD2 3.3Å; T356-D1692 WeakPolarHBondContact CG2-OD2 3.2Å |
| 357 | H | 30.4 | Very low | 27.8 | Very low | 117 Ų | 117 | 133 Ų | 133 | 54% | 0.542 | 73% | 0.728 | S | S | . | * | | | | 92.8 | 138.6 | 120.8 | -122.8 | -56.6 | 0 | 0 | 0 | 121.4 | T1691 | H357-T1691 WeakPolarHBondContact CA-OG1 3.28Å; H357-T1691 WeakPolarHBondContact CB-OG1 3.37Å; H357-T1691 PolarHBondContact CD2-N 3.29Å; H357-T1691 PolarHBondContact CD2-O 2.84Å; H357-T1691 VanDerWaalsContact CD2-O 3.23Å; H357-T1691 PolarHBondContact CE1-N 2.91Å; H357-T1691 PolarHBondContact N-OG1 3.2Å; H357-T1691 PolarHBondContact NE2-N 2.9Å; H357-T1691 PolarHBondContact NE2-O 2.93Å |
| 358 | S | 26.5 | Very low | 28.2 | Very low | 55 Ų | 55 | 128 Ų | 128 | 39% | 0.385 | 73% | 0.726 | S | S | . | * | | | trans | -55.3 | 146.6 | 165.4 | 48.2 | 0 | 0 | 0 | 0 | 113.7 | | |
| 359 | R | 31 | Very low | 28.2 | Very low | 251 Ų | 251 | 128.1 Ų | 128.1 | 95% | 0.947 | 73% | 0.727 | S | S | * | * | | | trans | -89.2 | 132.7 | -170.7 | -70 | 165.5 | 68.5 | -177.6 | 1.7 | 113 | | |
| 360 | G | 23.9 | Very low | 28.2 | Very low | 72 Ų | 72 | 127.6 Ų | 127.6 | 74% | 0.742 | 73% | 0.729 | S | S | * | * | | | trans | -144.3 | 90.7 | 166.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 361 | A | 28.9 | Very low | 28.2 | Very low | 93 Ų | 93 | 131.3 Ų | 131.3 | 77% | 0.769 | 74% | 0.735 | S | S | * | * | | | trans | 61.6 | 160.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 362 | S | 22.5 | Very low | 28.1 | Very low | 105 Ų | 105 | 129.2 Ų | 129.2 | 73% | 0.734 | 73% | 0.728 | S | S | * | * | | | trans | 29 | 127.5 | 150.8 | 50.2 | 0 | 0 | 0 | 0 | 120.2 | | |
| 363 | L | 28.7 | Very low | 28.2 | Very low | 167 Ų | 167 | 127.3 Ų | 127.3 | 87% | 0.874 | 72% | 0.723 | S | S | * | * | | | cis | -164.2 | 165 | 24.1 | -112.4 | 162.1 | 0 | 0 | 0 | 111.8 | | |
| 364 | S | 33.3 | Very low | 28.3 | Very low | 106 Ų | 106 | 128.6 Ų | 128.6 | 74% | 0.741 | 74% | 0.737 | S | S | * | * | | | trans | 54.3 | 99.5 | 171.9 | -114.8 | 0 | 0 | 0 | 0 | 116.2 | | |
| 365 | A | 31 | Very low | 28.6 | Very low | 93 Ų | 93 | 125.4 Ų | 125.4 | 77% | 0.769 | 74% | 0.735 | S | S | * | * | | | | 56 | 125.3 | 57.2 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 366 | K | 28.4 | Very low | 28.8 | Very low | 220 Ų | 220 | 124 Ų | 124 | 96% | 0.957 | 74% | 0.74 | S | S | * | * | | | trans | -72.3 | 137.8 | 177.3 | -75.5 | 178.3 | 173.9 | 177 | 0 | 111.3 | | |
| 367 | G | 32.2 | Very low | 28.7 | Very low | 79 Ų | 79 | 125.3 Ų | 125.3 | 81% | 0.814 | 75% | 0.752 | S | S | * | * | | | trans | 167.6 | 120.1 | 170.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 368 | S | 35.8 | Very low | 29 | Very low | 116 Ų | 116 | 127.3 Ų | 127.3 | 81% | 0.811 | 77% | 0.767 | S | S | * | * | | | cis | -136.6 | 152 | 7.7 | -173.4 | 0 | 0 | 0 | 0 | 113 | | |
| 369 | T | 29 | Very low | 29.4 | Very low | 121 Ų | 121 | 131.8 Ų | 131.8 | 74% | 0.742 | 79% | 0.785 | S | S | * | * | | | trans | -18.4 | 119.6 | 154.6 | -51.8 | 0 | 0 | 0 | 0 | 116.9 | | |
| 370 | V | 25.5 | Very low | 29.2 | Very low | 128 Ų | 128 | 125.7 Ų | 125.7 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | | | trans | 19.4 | 108.5 | 130.3 | -175.5 | 0 | 0 | 0 | 0 | 117.1 | | |
| 371 | R | 25.2 | Very low | 29.6 | Very low | 221 Ų | 221 | 127.8 Ų | 127.8 | 83% | 0.834 | 78% | 0.779 | S | S | * | * | | | trans | -179.8 | 122.2 | 133.5 | -103.5 | 175.8 | 133.5 | 149.1 | -3.5 | 111.4 | | |
| 372 | T | 25.7 | Very low | 29.8 | Very low | 101 Ų | 101 | 130.6 Ų | 130.6 | 62% | 0.62 | 78% | 0.781 | S | S | * | * | | | | 53.7 | 131.8 | 102.2 | 68.4 | 0 | 0 | 0 | 0 | 115.3 | | |
| 373 | N | 26.1 | Very low | 30 | Very low | 136 Ų | 136 | 131.8 Ų | 131.8 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | | | cis | -163.3 | 171.4 | 6.1 | -99.9 | -8.8 | 0 | 0 | 0 | 109.7 | | |
| 374 | T | 27.3 | Very low | 29.8 | Very low | 143 Ų | 143 | 130 Ų | 130 | 88% | 0.877 | 78% | 0.78 | S | S | * | * | | | trans | 68.4 | 150.1 | 163.2 | 15.3 | 0 | 0 | 0 | 0 | 116.3 | | |
| 375 | A | 31.4 | Very low | 29.4 | Very low | 79 Ų | 79 | 129.3 Ų | 129.3 | 65% | 0.653 | 78% | 0.781 | S | S | * | * | | | cis | -148.7 | 159.1 | 4.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 376 | T | 31.9 | Very low | 29 | Very low | 131 Ų | 131 | 130.4 Ų | 130.4 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | | | trans | 51.6 | 112.6 | 146.8 | -46.8 | 0 | 0 | 0 | 0 | 121.2 | | |
| 377 | S | 28.1 | Very low | 28.8 | Very low | 97 Ų | 97 | 125.5 Ų | 125.5 | 68% | 0.678 | 77% | 0.767 | S | S | * | * | | | trans | -36.1 | 148.4 | 161 | 52.8 | 0 | 0 | 0 | 0 | 118.9 | | |
| 378 | N | 36.7 | Very low | 28.4 | Very low | 160 Ų | 160 | 127.1 Ų | 127.1 | 86% | 0.856 | 76% | 0.761 | S | S | * | * | | | trans | -153.4 | 99.5 | 146.1 | -103.7 | -28.1 | 0 | 0 | 0 | 114.5 | | |
| 379 | I | 33.8 | Very low | 27.8 | Very low | 149 Ų | 149 | 127.2 Ų | 127.2 | 76% | 0.764 | 76% | 0.757 | S | S | * | * | | | trans | 19 | 110.1 | 148 | -49.9 | 178.3 | 0 | 0 | 0 | 120.7 | | |
| 380 | T | 27.7 | Very low | 27.9 | Very low | 122 Ų | 122 | 127.5 Ų | 127.5 | 75% | 0.748 | 76% | 0.759 | S | S | * | * | | | trans | 11.4 | 125.2 | 132.2 | -43.7 | 0 | 0 | 0 | 0 | 122 | | |
| 381 | S | 32.9 | Very low | 28 | Very low | 117 Ų | 117 | 127.5 Ų | 127.5 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | | | trans | -177.8 | 171.8 | 136.7 | 53.1 | 0 | 0 | 0 | 0 | 111.7 | | |
| 382 | N | 31.9 | Very low | 28.3 | Very low | 152 Ų | 152 | 123.1 Ų | 123.1 | 81% | 0.813 | 76% | 0.762 | S | S | * | * | | | | -156.9 | -174.1 | -67.9 | -132.2 | 9.9 | 0 | 0 | 0 | 109.2 | | |
| 383 | V | 27.5 | Very low | 28.2 | Very low | 130 Ų | 130 | 121.3 Ų | 121.3 | 79% | 0.788 | 76% | 0.764 | S | S | * | * | | | trans | -96.4 | 135.7 | -167.8 | 166.3 | 0 | 0 | 0 | 0 | 115.4 | | |
| 384 | T | 24.8 | Very low | 28.2 | Very low | 128 Ų | 128 | 126.2 Ų | 126.2 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | | | trans | 36.7 | 124.5 | 149.9 | -55.5 | 0 | 0 | 0 | 0 | 123 | | |
| 385 | A | 24.9 | Very low | 28 | Very low | 93 Ų | 93 | 124.6 Ų | 124.6 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | | | trans | -160.6 | 113.5 | 140.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 386 | T | 22.9 | Very low | 27.9 | Very low | 116 Ų | 116 | 126 Ų | 126 | 71% | 0.712 | 77% | 0.772 | S | S | * | * | | | trans | 39.7 | 149.6 | 130 | -43 | 0 | 0 | 0 | 0 | 124.2 | | |
| 387 | T | 24.5 | Very low | 27.5 | Very low | 117 Ų | 117 | 125 Ų | 125 | 72% | 0.718 | 77% | 0.77 | S | S | * | * | | | trans | 70.6 | 143.4 | 157.8 | 34.6 | 0 | 0 | 0 | 0 | 120 | | |
| 388 | T | 22.1 | Very low | 27.4 | Very low | 112 Ų | 112 | 125.7 Ų | 125.7 | 69% | 0.687 | 77% | 0.77 | S | S | * | * | | | cis | -168.1 | 158.1 | -22.3 | 13.6 | 0 | 0 | 0 | 0 | 111.7 | | |
| 389 | T | 24.2 | Very low | 26.8 | Very low | 119 Ų | 119 | 123.4 Ų | 123.4 | 73% | 0.73 | 76% | 0.762 | S | S | * | * | | | trans | 42.8 | 122.6 | 150 | 57.3 | 0 | 0 | 0 | 0 | 123 | | |
| 390 | T | 31.3 | Very low | 26.6 | Very low | 126 Ų | 126 | 123.6 Ų | 123.6 | 77% | 0.773 | 76% | 0.763 | S | S | * | * | | | | -173.2 | 102.9 | 117.8 | 28.5 | 0 | 0 | 0 | 0 | 110 | | |
| 391 | T | 28.2 | Very low | 26.5 | Very low | 128 Ų | 128 | 124.1 Ų | 124.1 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | | | | 76.8 | 128.9 | 98.1 | 56.9 | 0 | 0 | 0 | 0 | 118.1 | | |
| 392 | S | 29.4 | Very low | 26.4 | Very low | 129 Ų | 129 | 127 Ų | 127 | 90% | 0.902 | 76% | 0.759 | S | S | * | * | | | trans | 72.9 | 137.8 | 170.4 | -160 | 0 | 0 | 0 | 0 | 117.4 | | |
| 393 | G | 24.6 | Very low | 26.2 | Very low | 63 Ų | 63 | 129.3 Ų | 129.3 | 65% | 0.649 | 76% | 0.762 | S | S | * | * | | | cis | 140.8 | 145.8 | -9.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 394 | R | 25.3 | Very low | 27 | Very low | 240 Ų | 240 | 128.5 Ų | 128.5 | 91% | 0.906 | 76% | 0.759 | S | S | * | * | | | trans | 73.7 | 109.5 | 178.3 | -153.8 | 175.6 | -168 | 139.5 | 1.4 | 113.7 | | |
| 395 | S | 24.6 | Very low | 27.2 | Very low | 108 Ų | 108 | 131 Ų | 131 | 76% | 0.755 | 76% | 0.762 | S | S | * | * | | | cis | 95.9 | 138.4 | 38.4 | -61.6 | 0 | 0 | 0 | 0 | 114.6 | | |
| 396 | S | 28.5 | Very low | 27.3 | Very low | 110 Ų | 110 | 132.3 Ų | 132.3 | 77% | 0.769 | 76% | 0.76 | S | S | * | * | | | trans | 107.7 | 145.4 | 151.2 | -56.8 | 0 | 0 | 0 | 0 | 120 | | |
| 397 | S | 24.1 | Very low | 27.7 | Very low | 108 Ų | 108 | 132.2 Ų | 132.2 | 76% | 0.755 | 76% | 0.759 | S | S | * | * | | | trans | 72.8 | 149.8 | 155.9 | -89 | 0 | 0 | 0 | 0 | 120.7 | | |
| 398 | T | 26 | Very low | 27.8 | Very low | 112 Ų | 112 | 134.9 Ų | 134.9 | 69% | 0.687 | 77% | 0.766 | S | S | * | * | | | cis | -169.1 | 123.3 | -33.6 | 19 | 0 | 0 | 0 | 0 | 106 | | |
| 399 | T | 24.5 | Very low | 28.3 | Very low | 112 Ų | 112 | 135.9 Ų | 135.9 | 69% | 0.687 | 77% | 0.772 | S | S | * | * | | | | 79.3 | 130.5 | 89.1 | -46.8 | 0 | 0 | 0 | 0 | 115.2 | | |
| 400 | I | 27.8 | Very low | 29.1 | Very low | 154 Ų | 154 | 140.6 Ų | 140.6 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | | | trans | 57.3 | 157.9 | 162.1 | 60.6 | -178.8 | 0 | 0 | 0 | 121.4 | | |
| 401 | N | 27.4 | Very low | 29 | Very low | 133 Ų | 133 | 142 Ų | 142 | 71% | 0.711 | 78% | 0.784 | S | S | * | * | | | cis | -170 | 168.6 | -40.5 | -149.8 | -23.5 | 0 | 0 | 0 | 110.4 | | |
| 402 | K | 30.1 | Very low | 29 | Very low | 177 Ų | 177 | 140.7 Ų | 140.7 | 77% | 0.77 | 77% | 0.773 | S | S | * | * | | | trans | 62.9 | 108 | 154.5 | -66.5 | 173.3 | -176.9 | 177.5 | 0 | 122.7 | | |
| 403 | K | 28.1 | Very low | 29.2 | Very low | 201 Ų | 201 | 142.6 Ų | 142.6 | 87% | 0.874 | 77% | 0.765 | S | S | * | * | | | | 76.8 | -175.7 | 118.4 | -135 | -176.6 | -178.6 | -177.5 | 0 | 118.1 | | |
| 404 | P | 43 | Very low | 29.3 | Very low | 112 Ų | 112 | 150.2 Ų | 150.2 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | | | | -108.2 | 179.5 | -106.1 | 41.1 | -28.5 | 0 | 0 | 0 | 115.9 | | |
| 405 | Q | 29.2 | Very low | 29.4 | Very low | 181 Ų | 181 | 145.2 Ų | 145.2 | 85% | 0.846 | 76% | 0.764 | S | S | * | * | | | | 167.4 | 117.3 | 129.3 | -177.6 | 162.2 | 7.4 | 0 | 0 | 116.2 | | |
| 406 | V | 27.7 | Very low | 29.4 | Very low | 120 Ų | 120 | 145.8 Ų | 145.8 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | | | trans | 44.7 | 110.6 | 142.1 | -175.1 | 0 | 0 | 0 | 0 | 123.2 | | |
| 407 | T | 31.2 | Very low | 29.2 | Very low | 114 Ų | 114 | 145.9 Ų | 145.9 | 70% | 0.699 | 76% | 0.764 | S | S | * | * | | | | 34.5 | 124.8 | 124 | -35.4 | 0 | 0 | 0 | 0 | 123.2 | | |
| 408 | M | 26.7 | Very low | 29.5 | Very low | 174 Ų | 174 | 150 Ų | 150 | 86% | 0.857 | 77% | 0.768 | S | S | * | * | | | | 154.9 | 147.4 | 128.6 | -89.3 | -63 | 178.3 | 0 | 0 | 112.9 | | |
| 409 | T | 32.5 | Very low | 30.3 | Very low | 133 Ų | 133 | 149.7 Ų | 149.7 | 82% | 0.816 | 77% | 0.768 | S | S | * | * | | | trans | -90.7 | 120.9 | 167.8 | 46 | 0 | 0 | 0 | 0 | 111.5 | | |
| 410 | K | 41.5 | Very low | 30.7 | Very low | 218 Ų | 218 | 151.9 Ų | 151.9 | 95% | 0.948 | 78% | 0.775 | S | S | * | * | | | trans | -153 | 165.6 | 162.7 | -110.2 | 168 | -174.9 | 178.7 | 0 | 110.5 | | |
| 411 | L | 28.1 | Very low | 31.1 | Very low | 154 Ų | 154 | 149.6 Ų | 149.6 | 81% | 0.806 | 77% | 0.773 | S | S | * | * | | | trans | -120.4 | 159.6 | -151.2 | -161.4 | 75.4 | 0 | 0 | 0 | 113.6 | | |
| 412 | D | 29.7 | Very low | 31.3 | Very low | 102 Ų | 102 | 148.5 Ų | 148.5 | 55% | 0.545 | 78% | 0.776 | S | S | . | * | | | trans | 87.5 | 132 | 147.9 | -102.3 | -21.9 | 0 | 0 | 0 | 122.6 | | |
| 413 | K | 33.2 | Very low | 31.9 | Very low | 169 Ų | 169 | 147.3 Ų | 147.3 | 74% | 0.735 | 78% | 0.777 | S | S | * | * | | | trans | 60.7 | 112.2 | 138.9 | -69.6 | 155.2 | -169.7 | 150.5 | 0 | 123.1 | | |
| 414 | R | 25.4 | Very low | 31.9 | Very low | 222 Ų | 222 | 148.3 Ų | 148.3 | 84% | 0.838 | 78% | 0.775 | S | S | * | * | | | | 81.4 | 96.2 | 115.6 | -161.5 | -179.9 | -162.5 | -150.7 | 5.7 | 121.9 | | |
| 415 | I | 27.5 | Very low | 31.6 | Very low | 135 Ų | 135 | 149.6 Ų | 149.6 | 69% | 0.692 | 78% | 0.781 | S | S | * | * | | | | 65.6 | 127.9 | 128.6 | -55.9 | 175.3 | 0 | 0 | 0 | 120.9 | | |
| 416 | T | 25.1 | Very low | 31.5 | Very low | 120 Ų | 120 | 144.9 Ų | 144.9 | 74% | 0.736 | 78% | 0.781 | S | S | * | * | | | trans | 73.4 | 134.5 | 155.9 | 49.1 | 0 | 0 | 0 | 0 | 124.1 | | |
| 417 | S | 25.2 | Very low | 31.5 | Very low | 113 Ų | 113 | 150.6 Ų | 150.6 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | | | trans | 71.4 | 154.9 | 147.2 | 80.7 | 0 | 0 | 0 | 0 | 117.3 | | |
| 418 | K | 29.4 | Very low | 31.6 | Very low | 195 Ų | 195 | 150 Ų | 150 | 85% | 0.848 | 79% | 0.785 | S | S | * | * | | | cis | -157.8 | -168.3 | -14.8 | -113.1 | -84.3 | -177.4 | 170.7 | 0 | 106.3 | | |
| 419 | P | 43 | Very low | 31.5 | Very low | 104 Ų | 104 | 148.6 Ų | 148.6 | 68% | 0.675 | 78% | 0.781 | S | S | * | * | | | trans | -103.5 | -171.3 | -135.4 | 45.5 | -38.9 | 0 | 0 | 0 | 116.8 | | |
| 420 | D | 33.2 | Very low | 31.4 | Very low | 159 Ų | 159 | 149 Ų | 149 | 85% | 0.85 | 79% | 0.788 | S | S | * | * | | | trans | -61.4 | 160.8 | -175.2 | -45.1 | -93.6 | 0 | 0 | 0 | 117.7 | | |
| 421 | S | 35.2 | Very low | 30.7 | Very low | 105 Ų | 105 | 143.1 Ų | 143.1 | 73% | 0.734 | 78% | 0.78 | S | S | * | * | | | trans | -157.3 | 121 | 160.8 | 63.5 | 0 | 0 | 0 | 0 | 114.8 | | |
| 422 | S | 33.3 | Very low | 30.9 | Very low | 111 Ų | 111 | 142.6 Ų | 142.6 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | | | trans | 65.3 | 155 | 167.4 | 76.2 | 0 | 0 | 0 | 0 | 116.9 | | |
| 423 | L | 42.2 | Very low | 30.8 | Very low | 151 Ų | 151 | 145.2 Ų | 145.2 | 79% | 0.791 | 80% | 0.798 | S | S | * | * | | | cis | -136.4 | 136.9 | 16.4 | -70.2 | 159 | 0 | 0 | 0 | 109.2 | | |
| 424 | R | 27.1 | Very low | 30.6 | Very low | 223 Ų | 223 | 145 Ų | 145 | 84% | 0.842 | 80% | 0.803 | S | S | * | * | | | | 82.2 | 126.3 | 78.4 | -155.5 | -169 | -177.9 | -157.2 | 0.7 | 115.3 | | |
| 425 | T | 37.1 | Very low | 30.6 | Very low | 138 Ų | 138 | 140.6 Ų | 140.6 | 85% | 0.847 | 80% | 0.802 | S | S | * | * | | | trans | 75.7 | 143.3 | 175.9 | 81.5 | 0 | 0 | 0 | 0 | 118.6 | | |
| 426 | G | 27.3 | Very low | 30.8 | Very low | 82 Ų | 82 | 139.2 Ų | 139.2 | 85% | 0.845 | 80% | 0.804 | S | S | * | * | | | cis | 150.2 | 69.6 | -36.2 | 0 | 0 | 0 | 0 | 0 | 120.5 | | |
| 427 | R | 28.4 | Very low | 31 | Very low | 241 Ų | 241 | 141 Ų | 141 | 91% | 0.909 | 81% | 0.809 | S | S | * | * | | | trans | -166.2 | 152.4 | 155.8 | -143.6 | -170.2 | 165.9 | 170.5 | -3.4 | 115 | | |
| 428 | V | 32.2 | Very low | 31.2 | Very low | 101 Ų | 101 | 140.3 Ų | 140.3 | 61% | 0.612 | 80% | 0.804 | S | S | * | * | | | trans | 69.5 | 91.1 | 162.1 | -162.8 | 0 | 0 | 0 | 0 | 119.7 | | |
| 429 | D | 26.1 | Very low | 31.4 | Very low | 144 Ų | 144 | 138 Ų | 138 | 77% | 0.77 | 81% | 0.807 | S | S | * | * | | | | 45.4 | 101.4 | 120.8 | -41.5 | -31.4 | 0 | 0 | 0 | 121.9 | | |
| 430 | C | 30 | Very low | 30.5 | Very low | 141 Ų | 141 | 139.8 Ų | 139.8 | 95% | 0.953 | 81% | 0.811 | S | S | * | * | | | trans | -157.9 | 141.3 | 132.2 | -100.3 | 0 | 0 | 0 | 0 | 109.7 | | |
| 431 | A | 26 | Very low | 30.5 | Very low | 96 Ų | 96 | 136.3 Ų | 136.3 | 79% | 0.793 | 80% | 0.804 | S | S | * | * | | | trans | -118.4 | 135.8 | -170.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 432 | T | 32.8 | Very low | 30.3 | Very low | 143 Ų | 143 | 137 Ų | 137 | 88% | 0.877 | 81% | 0.808 | S | S | * | * | | | trans | -150.3 | 135.4 | 162.1 | -54.7 | 0 | 0 | 0 | 0 | 108.5 | | |
| 433 | N | 27.5 | Very low | 29.9 | Very low | 157 Ų | 157 | 143 Ų | 143 | 84% | 0.84 | 81% | 0.814 | S | S | * | * | | | trans | -75.6 | 136.5 | -164.9 | -64.6 | -63.1 | 0 | 0 | 0 | 113.8 | | |
| 434 | L | 27.9 | Very low | 29.3 | Very low | 163 Ų | 163 | 140.2 Ų | 140.2 | 85% | 0.853 | 81% | 0.807 | S | S | * | * | | | trans | -112.4 | 128.3 | 153.5 | -81.5 | 173.5 | 0 | 0 | 0 | 109.1 | | |
| 435 | T | 27 | Very low | 29.4 | Very low | 131 Ų | 131 | 136.7 Ų | 136.7 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | | | trans | -84.8 | 114.2 | 167.8 | -58.8 | 0 | 0 | 0 | 0 | 109 | | |
| 436 | S | 31.1 | Very low | 29.1 | Very low | 106 Ų | 106 | 137.7 Ų | 137.7 | 74% | 0.741 | 81% | 0.805 | S | S | * | * | | | trans | -136.3 | 118.1 | 170.8 | -70.9 | 0 | 0 | 0 | 0 | 109.4 | | |
| 437 | N | 28.7 | Very low | 29.2 | Very low | 156 Ų | 156 | 140 Ų | 140 | 83% | 0.834 | 80% | 0.802 | S | S | * | * | | | trans | -77.1 | 146 | 178.4 | -72.9 | -2 | 0 | 0 | 0 | 111.2 | | |
| 438 | S | 30.4 | Very low | 29.2 | Very low | 99 Ų | 99 | 134 Ų | 134 | 69% | 0.692 | 79% | 0.789 | S | S | * | * | | | trans | -83.5 | 171 | 164.7 | 64.5 | 0 | 0 | 0 | 0 | 111 | | |
| 439 | T | 33.5 | Very low | 29.2 | Very low | 148 Ų | 148 | 139.6 Ų | 139.6 | 91% | 0.908 | 80% | 0.799 | S | S | * | * | | | trans | -116.6 | 119.9 | 137.2 | -64.9 | 0 | 0 | 0 | 0 | 106.5 | | |
| 440 | N | 23.9 | Very low | 29.5 | Very low | 141 Ų | 141 | 137.8 Ų | 137.8 | 75% | 0.754 | 80% | 0.797 | S | S | * | * | | | trans | -145.7 | 136.7 | 166.9 | -153.7 | -1.6 | 0 | 0 | 0 | 110.4 | S442 | N440-S442 PolarHBondContact O-N 3.13Š|
| 441 | A | 32.7 | Very low | 29.6 | Very low | 86 Ų | 86 | 143.2 Ų | 143.2 | 71% | 0.711 | 80% | 0.798 | S | S | * | * | S | Bend | trans | 29 | 71.4 | 161.5 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 442 | S | 31.4 | Very low | 29.7 | Very low | 118 Ų | 118 | 142.7 Ų | 142.7 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -171.3 | 122.2 | 132.5 | -88.2 | 0 | 0 | 0 | 0 | 114.5 | N440 | N440-S442 PolarHBondContact O-N 3.13Š|
| 443 | R | 24.7 | Very low | 29.6 | Very low | 237 Ų | 237 | 147.1 Ų | 147.1 | 89% | 0.894 | 80% | 0.802 | S | S | * | * | | | trans | 58.7 | 85.1 | 160.1 | -68 | -172.4 | 160.1 | -167.7 | -7.6 | 119.1 | | |
| 444 | S | 29.4 | Very low | 29.6 | Very low | 93 Ų | 93 | 145.5 Ų | 145.5 | 65% | 0.65 | 79% | 0.793 | S | S | * | * | | | | 3.3 | 131.5 | 121.5 | 57.3 | 0 | 0 | 0 | 0 | 118.5 | | |
| 445 | N | 29.5 | Very low | 29.8 | Very low | 149 Ų | 149 | 146.4 Ų | 146.4 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | | | | -168.8 | 157.9 | 100.5 | -97.8 | -20.5 | 0 | 0 | 0 | 115.9 | | |
| 446 | L | 31.2 | Very low | 29.8 | Very low | 159 Ų | 159 | 145.1 Ų | 145.1 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | | | trans | -33.9 | 153.9 | -179.8 | -73.1 | 148.2 | 0 | 0 | 0 | 120.3 | | |
| 447 | T | 27.8 | Very low | 29.7 | Very low | 130 Ų | 130 | 148.5 Ų | 148.5 | 80% | 0.798 | 79% | 0.791 | S | S | * | * | | | trans | -62.2 | 141.9 | 157.1 | 46.7 | 0 | 0 | 0 | 0 | 113.2 | | |
| 448 | D | 29.8 | Very low | 29.7 | Very low | 117 Ų | 117 | 146.3 Ų | 146.3 | 63% | 0.626 | 78% | 0.783 | S | S | * | * | | | | 156.3 | 153 | 113.3 | -171.4 | 34.3 | 0 | 0 | 0 | 113.1 | | |
| 449 | R | 32.4 | Very low | 29.6 | Very low | 218 Ų | 218 | 147.7 Ų | 147.7 | 82% | 0.823 | 78% | 0.783 | S | S | * | * | | | trans | 60 | 169.5 | 163.8 | -86 | 167.7 | 173.6 | 92.2 | -2.3 | 118.9 | | |
| 450 | S | 32.2 | Very low | 29.5 | Very low | 105 Ų | 105 | 147.4 Ų | 147.4 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | | | trans | -127.7 | 145.6 | -157.1 | 53.2 | 0 | 0 | 0 | 0 | 113.6 | | |
| 451 | R | 31 | Very low | 29.9 | Very low | 255 Ų | 255 | 148.1 Ų | 148.1 | 96% | 0.962 | 77% | 0.772 | S | S | * | * | | | trans | 47.8 | 94.5 | 156.9 | -65.4 | 178 | 169.8 | 178 | -3.7 | 117.5 | | |
| 452 | G | 28 | Very low | 29.7 | Very low | 86 Ų | 86 | 151 Ų | 151 | 89% | 0.887 | 77% | 0.771 | S | S | * | * | | | trans | -145.7 | 123.8 | 163.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 453 | R | 30.7 | Very low | 29.8 | Very low | 235 Ų | 235 | 150.8 Ų | 150.8 | 89% | 0.887 | 77% | 0.767 | S | S | * | * | | | trans | -100.9 | 152.5 | -166.5 | -160.8 | -171.7 | -162.2 | -155.8 | 8.3 | 112 | | |
| 454 | L | 28.5 | Very low | 30.1 | Very low | 123 Ų | 123 | 146.4 Ų | 146.4 | 64% | 0.644 | 77% | 0.767 | S | S | * | * | | | trans | 112.8 | 123 | 135.8 | -148.5 | 73.3 | 0 | 0 | 0 | 120.2 | | |
| 455 | F | 31.1 | Very low | 30.1 | Very low | 182 Ų | 182 | 150.1 Ų | 150.1 | 80% | 0.798 | 77% | 0.774 | S | S | * | * | | | trans | 19.9 | 133.1 | 158.6 | -60.3 | -53.2 | 0 | 0 | 0 | 124.4 | | |
| 456 | S | 27.9 | Very low | 30.1 | Very low | 104 Ų | 104 | 148.1 Ų | 148.1 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | | | | 171.3 | 133 | 109.3 | -72.7 | 0 | 0 | 0 | 0 | 111 | | |
| 457 | Q | 28.6 | Very low | 30.3 | Very low | 177 Ų | 177 | 147.1 Ų | 147.1 | 83% | 0.827 | 77% | 0.767 | S | S | * | * | | | | 65.6 | 133.4 | 103.3 | -160.4 | 170.7 | 60.1 | 0 | 0 | 113.5 | | |
| 458 | T | 29.4 | Very low | 30.3 | Very low | 110 Ų | 110 | 151.3 Ų | 151.3 | 68% | 0.675 | 77% | 0.768 | S | S | * | * | | | cis | -165.4 | 173.5 | 19 | 9.7 | 0 | 0 | 0 | 0 | 106.4 | | |
| 459 | N | 28.9 | Very low | 30.3 | Very low | 129 Ų | 129 | 152.1 Ų | 152.1 | 69% | 0.69 | 78% | 0.777 | S | S | * | * | | | cis | -171.6 | 173.6 | -25.3 | -106.8 | 23.4 | 0 | 0 | 0 | 108.1 | | |
| 460 | N | 30.7 | Very low | 30.2 | Very low | 142 Ų | 142 | 148.6 Ų | 148.6 | 76% | 0.759 | 78% | 0.775 | S | S | * | * | | | trans | 69.6 | 151.6 | 164.7 | -57.4 | -22.1 | 0 | 0 | 0 | 116.1 | | |
| 461 | K | 32.4 | Very low | 30.2 | Very low | 155 Ų | 155 | 149.2 Ų | 149.2 | 67% | 0.674 | 77% | 0.774 | S | S | * | * | | | cis | -164.3 | 165.8 | -3.3 | -116.7 | -177.8 | -173.8 | -74.1 | 0 | 106 | | |
| 462 | E | 28.5 | Very low | 30.2 | Very low | 146 Ų | 146 | 146.6 Ų | 146.6 | 68% | 0.682 | 77% | 0.77 | S | S | * | * | | | cis | -160.6 | 150.2 | -9 | -166.5 | 127 | -100.6 | 0 | 0 | 107.9 | | |
| 463 | P | 34.1 | Very low | 30.5 | Very low | 115 Ų | 115 | 146.5 Ų | 146.5 | 75% | 0.747 | 75% | 0.754 | S | S | * | * | | | trans | -117.7 | 140.6 | -172.5 | 38.5 | -27.7 | 0 | 0 | 0 | 117 | | |
| 464 | T | 30 | Very low | 30.6 | Very low | 144 Ų | 144 | 141.4 Ų | 141.4 | 88% | 0.883 | 75% | 0.751 | S | S | * | * | | | trans | -157.4 | 151.7 | 158.9 | 1.1 | 0 | 0 | 0 | 0 | 107.2 | | |
| 465 | Q | 29.9 | Very low | 30.7 | Very low | 172 Ų | 172 | 144.8 Ų | 144.8 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | | | cis | -147.9 | 144.8 | 21.7 | -170.8 | 177.9 | 59.4 | 0 | 0 | 111.1 | | |
| 466 | S | 29.9 | Very low | 30.6 | Very low | 106 Ų | 106 | 141.8 Ų | 141.8 | 74% | 0.741 | 76% | 0.763 | S | S | * | * | | | trans | -93.2 | 143.2 | -177.4 | 59.1 | 0 | 0 | 0 | 0 | 113.3 | | |
| 467 | N | 34.1 | Very low | 30.8 | Very low | 138 Ų | 138 | 143.9 Ų | 143.9 | 74% | 0.738 | 77% | 0.77 | S | S | * | * | | | trans | -138.2 | 95.4 | 167.3 | -111.5 | -37.8 | 0 | 0 | 0 | 113.9 | | |
| 468 | R | 27.5 | Very low | 30.7 | Very low | 218 Ų | 218 | 139.2 Ų | 139.2 | 82% | 0.823 | 77% | 0.77 | S | S | * | * | | | trans | 48.1 | 156.9 | 139.3 | -64.5 | -179.4 | 167.5 | -171.3 | -3.5 | 121.8 | | |
| 469 | T | 31.2 | Very low | 30.5 | Very low | 134 Ų | 134 | 137.7 Ų | 137.7 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | | | trans | 75.9 | 141.2 | 168.7 | 71.9 | 0 | 0 | 0 | 0 | 116.8 | | |
| 470 | N | 29.2 | Very low | 30.4 | Very low | 145 Ų | 145 | 143.8 Ų | 143.8 | 78% | 0.775 | 79% | 0.789 | S | S | * | * | | | cis | -157.8 | 165.3 | -32.1 | -140.2 | -22.7 | 0 | 0 | 0 | 111.5 | | |
| 471 | V | 32.7 | Very low | 30.1 | Very low | 117 Ų | 117 | 147.1 Ų | 147.1 | 71% | 0.709 | 79% | 0.791 | S | S | * | * | | | trans | 59.6 | 85.3 | 162.9 | -168.3 | 0 | 0 | 0 | 0 | 118.7 | | |
| 472 | K | 31.7 | Very low | 30 | Very low | 200 Ų | 200 | 147 Ų | 147 | 87% | 0.87 | 80% | 0.797 | S | S | * | * | | | trans | 69.5 | 161.3 | 130.7 | -84.4 | -158.7 | 168.6 | -180 | 0 | 121.2 | | |
| 473 | P | 33.1 | Very low | 30.2 | Very low | 85 Ų | 85 | 145.9 Ų | 145.9 | 55% | 0.552 | 81% | 0.805 | S | S | * | * | | | trans | -126.8 | 173.6 | -138.9 | 42.3 | -27.9 | 0 | 0 | 0 | 115.6 | F475 | P473-F475 HydrophobicContact CG-CD2 4.18Å; P473-F475 PolarHBondContact O-N 2.93Å |
| 474 | P | 33.9 | Very low | 30 | Very low | 128 Ų | 128 | 144.9 Ų | 144.9 | 83% | 0.831 | 81% | 0.806 | S | S | * | * | | | trans | -68.2 | 115.5 | 169.2 | 28.4 | -35.4 | 0 | 0 | 0 | 112 | | |
| 475 | F | 30.4 | Very low | 30 | Very low | 194 Ų | 194 | 141.9 Ų | 141.9 | 85% | 0.851 | 80% | 0.804 | S | S | * | * | | | trans | -132.4 | 146.1 | 163.3 | -101.7 | -80.1 | 0 | 0 | 0 | 110.3 | P473 | P473-F475 HydrophobicContact CG-CD2 4.18Å; P473-F475 PolarHBondContact O-N 2.93Å |
| 476 | S | 28.8 | Very low | 29.9 | Very low | 119 Ų | 119 | 138.6 Ų | 138.6 | 83% | 0.832 | 81% | 0.806 | S | S | * | * | | | trans | -96.4 | 116.5 | -173.6 | -171.1 | 0 | 0 | 0 | 0 | 112.6 | | |
| 477 | V | 31.3 | Very low | 29.9 | Very low | 147 Ų | 147 | 138.3 Ų | 138.3 | 89% | 0.891 | 81% | 0.81 | S | S | * | * | | | trans | -160.9 | 148.3 | 156.8 | -100.2 | 0 | 0 | 0 | 0 | 106.9 | | |
| 478 | G | 26.2 | Very low | 29.6 | Very low | 79 Ų | 79 | 136.7 Ų | 136.7 | 81% | 0.814 | 81% | 0.81 | S | S | * | * | | | cis | 155.2 | 80.3 | 1.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 479 | G | 25.8 | Very low | 29.7 | Very low | 79 Ų | 79 | 134.1 Ų | 134.1 | 81% | 0.814 | 81% | 0.812 | S | S | * | * | | | trans | 118.5 | 158.4 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 480 | R | 26.4 | Very low | 29.5 | Very low | 256 Ų | 256 | 134 Ų | 134 | 97% | 0.966 | 81% | 0.811 | S | S | * | * | | | cis | -130.8 | 173.3 | 2.8 | -134.3 | 178.8 | -170.1 | -168.5 | 3.7 | 111.1 | | |
| 481 | R | 26.1 | Very low | 29.6 | Very low | 212 Ų | 212 | 133.1 Ų | 133.1 | 80% | 0.8 | 82% | 0.816 | S | S | * | * | | | trans | -97.2 | 162.3 | -167 | -62.8 | 163.8 | 63.3 | -165.6 | 2.2 | 113 | | |
| 482 | I | 28.5 | Very low | 29.3 | Very low | 153 Ų | 153 | 135.1 Ų | 135.1 | 79% | 0.785 | 82% | 0.817 | S | S | * | * | | | trans | 62.5 | 145.9 | 157.2 | 56.5 | 169.5 | 0 | 0 | 0 | 116.3 | | |
| 483 | S | 33.1 | Very low | 29 | Very low | 123 Ų | 123 | 136 Ų | 136 | 86% | 0.86 | 82% | 0.815 | S | S | * | * | | | cis | -123.6 | 126.8 | 38.5 | 47.9 | 0 | 0 | 0 | 0 | 117.3 | | |
| 484 | A | 30.7 | Very low | 29 | Very low | 93 Ų | 93 | 137.5 Ų | 137.5 | 77% | 0.769 | 82% | 0.823 | S | S | * | * | | | trans | -126 | 125.1 | 149.3 | 0 | 0 | 0 | 0 | 0 | 106.9 | | |
| 485 | G | 29.6 | Very low | 28.7 | Very low | 81 Ų | 81 | 135.9 Ų | 135.9 | 84% | 0.835 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 136.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 486 | A | 28.8 | Very low | 29.1 | Very low | 103 Ų | 103 | 132.6 Ų | 132.6 | 85% | 0.851 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 163.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 487 | A | 28.7 | Very low | 29.2 | Very low | 100 Ų | 100 | 131.9 Ų | 131.9 | 83% | 0.826 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 172 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 488 | S | 27.2 | Very low | 29.7 | Very low | 104 Ų | 104 | 133.1 Ų | 133.1 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 145.3 | 170.8 | -177.9 | 0 | 0 | 0 | 0 | 113.3 | | |
| 489 | L | 31.6 | Very low | 29.8 | Very low | 165 Ų | 165 | 136.2 Ų | 136.2 | 86% | 0.864 | 81% | 0.807 | S | S | * | * | | | | -171.4 | 146.6 | 125.4 | -102.5 | 168.6 | 0 | 0 | 0 | 112 | | |
| 490 | T | 26.4 | Very low | 30.2 | Very low | 132 Ų | 132 | 139.1 Ų | 139.1 | 81% | 0.81 | 80% | 0.804 | S | S | * | * | | | trans | -103.5 | 116 | 173.6 | 38.7 | 0 | 0 | 0 | 0 | 111.1 | | |
| 491 | S | 29.9 | Very low | 30.5 | Very low | 125 Ų | 125 | 139 Ų | 139 | 87% | 0.874 | 80% | 0.803 | S | S | * | * | | | trans | -168.4 | 176.7 | 147 | -154.3 | 0 | 0 | 0 | 0 | 112.4 | | |
| 492 | Q | 27.2 | Very low | 30.7 | Very low | 159 Ų | 159 | 133.9 Ų | 133.9 | 74% | 0.743 | 80% | 0.8 | S | S | * | * | | | trans | -97.7 | 160.1 | -154.7 | -48.9 | 178 | 8.3 | 0 | 0 | 116.5 | | |
| 493 | R | 25.1 | Very low | 31 | Very low | 218 Ų | 218 | 135.4 Ų | 135.4 | 82% | 0.823 | 80% | 0.801 | S | S | * | * | | | trans | 84.2 | 134.3 | 132.5 | -98.2 | 175.8 | 173.1 | -129.6 | -2.1 | 123.1 | | |
| 494 | T | 32.7 | Very low | 30.9 | Very low | 117 Ų | 117 | 137.3 Ų | 137.3 | 72% | 0.718 | 80% | 0.8 | S | S | * | * | | | trans | 91.7 | 100.9 | 141.6 | -50.3 | 0 | 0 | 0 | 0 | 121.9 | | |
| 495 | A | 28 | Very low | 30.9 | Very low | 94 Ų | 94 | 137.4 Ų | 137.4 | 78% | 0.777 | 80% | 0.795 | S | S | * | * | | | | 47.8 | 157.1 | 126.1 | 0 | 0 | 0 | 0 | 0 | 124.4 | | |
| 496 | P | 39.1 | Very low | 31 | Very low | 126 Ų | 126 | 139.4 Ų | 139.4 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | | | trans | -122.3 | 170 | -158.8 | 43.2 | -30.6 | 0 | 0 | 0 | 117.6 | | |
| 497 | S | 32.1 | Very low | 31.2 | Very low | 103 Ų | 103 | 140.7 Ų | 140.7 | 72% | 0.72 | 79% | 0.787 | S | S | * | * | | | trans | -162 | 176.4 | 158.5 | 63.5 | 0 | 0 | 0 | 0 | 112.2 | | |
| 498 | Q | 40 | Very low | 31.3 | Very low | 173 Ų | 173 | 140 Ų | 140 | 81% | 0.808 | 78% | 0.781 | S | S | * | * | | | trans | 66.8 | 107.9 | -179.6 | -43.9 | -68.8 | 0.3 | 0 | 0 | 115.3 | | |
| 499 | L | 29.5 | Very low | 31.4 | Very low | 145 Ų | 145 | 147 Ų | 147 | 76% | 0.759 | 79% | 0.792 | S | S | * | * | | | cis | 102.6 | 128.7 | 6.7 | -148.9 | 78.7 | 0 | 0 | 0 | 117.6 | | |
| 500 | N | 33.5 | Very low | 31.2 | Very low | 139 Ų | 139 | 143 Ų | 143 | 74% | 0.743 | 79% | 0.79 | S | S | * | * | | | trans | 67.7 | 97 | 160.2 | -71.1 | -22.4 | 0 | 0 | 0 | 122.7 | | |
| 501 | R | 32.9 | Very low | 31.5 | Very low | 255 Ų | 255 | 142.6 Ų | 142.6 | 96% | 0.962 | 79% | 0.793 | S | S | * | * | | | | -160.7 | 166 | 112.2 | -107.3 | 177.1 | -171.8 | -130.5 | 0.8 | 111.6 | | |
| 502 | S | 30.4 | Very low | 31.5 | Very low | 104 Ų | 104 | 144.4 Ų | 144.4 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | | | trans | -156.5 | 177.5 | -151.3 | 59.1 | 0 | 0 | 0 | 0 | 115.4 | | |
| 503 | K | 34.4 | Very low | 31.6 | Very low | 184 Ų | 184 | 144.5 Ų | 144.5 | 80% | 0.8 | 79% | 0.792 | S | S | * | * | | | trans | 98.2 | 110.7 | 173.1 | -58.3 | -173.4 | 179.3 | -175.6 | 0 | 114.1 | | |
| 504 | I | 30.6 | Very low | 31.8 | Very low | 163 Ų | 163 | 141 Ų | 141 | 84% | 0.836 | 79% | 0.789 | S | S | * | * | | | | 86.4 | 133.4 | 69.8 | -80.5 | 168.4 | 0 | 0 | 0 | 110.4 | | |
| 505 | S | 31.4 | Very low | 31.8 | Very low | 95 Ų | 95 | 139.9 Ų | 139.9 | 66% | 0.664 | 79% | 0.785 | S | S | * | * | | | cis | -160.3 | 161.4 | -3.7 | -176.8 | 0 | 0 | 0 | 0 | 107.5 | | |
| 506 | V | 32.2 | Very low | 31.8 | Very low | 124 Ų | 124 | 140.5 Ų | 140.5 | 75% | 0.752 | 78% | 0.78 | S | S | * | * | | | | -177.2 | 135.1 | 86.3 | 158.7 | 0 | 0 | 0 | 0 | 110.9 | | |
| 507 | V | 32.6 | Very low | 31.5 | Very low | 129 Ų | 129 | 141.5 Ų | 141.5 | 78% | 0.782 | 78% | 0.784 | S | S | * | * | | | trans | 12.5 | 132.3 | 142.6 | -171.2 | 0 | 0 | 0 | 0 | 117.4 | | |
| 508 | A | 31.6 | Very low | 31.2 | Very low | 85 Ų | 85 | 140.2 Ų | 140.2 | 70% | 0.702 | 79% | 0.787 | S | S | * | * | | | cis | -164.9 | -173.9 | -8.8 | 0 | 0 | 0 | 0 | 0 | 106.6 | | |
| 509 | R | 29 | Very low | 30.6 | Very low | 253 Ų | 253 | 139.9 Ų | 139.9 | 96% | 0.955 | 79% | 0.79 | S | S | * | * | | | cis | -139.6 | 169.9 | 16.4 | -72.4 | -179.4 | 178.2 | 178.4 | -0.5 | 109 | | |
| 510 | G | 27.4 | Very low | 30.6 | Very low | 79 Ų | 79 | 138.8 Ų | 138.8 | 81% | 0.814 | 79% | 0.789 | S | S | * | * | | | cis | 145.4 | 62.8 | -1.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 511 | S | 32 | Very low | 30.3 | Very low | 124 Ų | 124 | 139.2 Ų | 139.2 | 87% | 0.867 | 79% | 0.791 | S | S | * | * | | | trans | -143.3 | 146.6 | 154.7 | 63.4 | 0 | 0 | 0 | 0 | 108.9 | | |
| 512 | L | 30.3 | Very low | 30.1 | Very low | 164 Ų | 164 | 132.5 Ų | 132.5 | 86% | 0.859 | 78% | 0.784 | S | S | * | * | | | trans | -157.5 | 123.7 | -166.5 | 175.4 | 83.1 | 0 | 0 | 0 | 109 | | |
| 513 | H | 29.6 | Very low | 30.1 | Very low | 161 Ų | 161 | 139.5 Ų | 139.5 | 75% | 0.745 | 79% | 0.794 | S | S | * | * | | | trans | -157.1 | 157.9 | 134 | -148.5 | -112.4 | 0 | 0 | 0 | 112.9 | S515 | H513-S515 PolarHBondContact CE1-OG 3.32Å; H513-S515 PolarHBondContact ND1-OG 3.44Å |
| 514 | L | 29.4 | Very low | 30 | Very low | 145 Ų | 145 | 135.3 Ų | 135.3 | 76% | 0.759 | 79% | 0.788 | S | S | * | * | | | trans | -139.5 | 116.6 | -179.6 | 180 | 74 | 0 | 0 | 0 | 108.5 | | |
| 515 | S | 32.3 | Very low | 29.9 | Very low | 92 Ų | 92 | 133.7 Ų | 133.7 | 64% | 0.643 | 78% | 0.781 | S | S | * | * | | | trans | -159.2 | 124.8 | 171.2 | -58.6 | 0 | 0 | 0 | 0 | 106.4 | H513 | H513-S515 PolarHBondContact CE1-OG 3.32Å; H513-S515 PolarHBondContact ND1-OG 3.44Å |
| 516 | T | 27.2 | Very low | 29.8 | Very low | 108 Ų | 108 | 135 Ų | 135 | 66% | 0.663 | 78% | 0.78 | S | S | * | * | | | cis | 80.3 | 127.7 | 25.9 | -36.9 | 0 | 0 | 0 | 0 | 113.7 | | |
| 517 | T | 32.1 | Very low | 29.6 | Very low | 147 Ų | 147 | 134.8 Ų | 134.8 | 90% | 0.902 | 77% | 0.766 | S | S | * | * | | | trans | 75.4 | 154.7 | 177.4 | 76.6 | 0 | 0 | 0 | 0 | 117.8 | | |
| 518 | G | 26.5 | Very low | 29.4 | Very low | 75 Ų | 75 | 131 Ų | 131 | 77% | 0.773 | 75% | 0.752 | S | S | * | * | | | trans | 117.5 | 83.7 | 164.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 519 | L | 27.5 | Very low | 29.2 | Very low | 167 Ų | 167 | 132.3 Ų | 132.3 | 87% | 0.874 | 75% | 0.752 | S | S | * | * | | | trans | -94.8 | 174.7 | 159.4 | -79.2 | 171.8 | 0 | 0 | 0 | 110.5 | | |
| 520 | T | 28.8 | Very low | 29.3 | Very low | 122 Ų | 122 | 126.5 Ų | 126.5 | 75% | 0.748 | 75% | 0.75 | S | S | * | * | | | trans | 77.6 | 106.1 | 170 | 64.9 | 0 | 0 | 0 | 0 | 118 | | |
| 521 | D | 28.6 | Very low | 29.3 | Very low | 148 Ų | 148 | 127.3 Ų | 127.3 | 79% | 0.791 | 74% | 0.743 | S | S | * | * | | | | 33.6 | 106.7 | 128.4 | -48.4 | -41 | 0 | 0 | 0 | 119.7 | | |
| 522 | S | 27.8 | Very low | 29.3 | Very low | 114 Ų | 114 | 126.1 Ų | 126.1 | 80% | 0.797 | 74% | 0.741 | S | S | * | * | | | | 177.7 | 110.5 | 126.2 | -83.7 | 0 | 0 | 0 | 0 | 112.5 | | |
| 523 | R | 30.1 | Very low | 29.3 | Very low | 250 Ų | 250 | 125 Ų | 125 | 94% | 0.943 | 74% | 0.741 | S | S | * | * | | | trans | 163.7 | 127.6 | 130.2 | -91.4 | 159.6 | -179.3 | -160.2 | -3.3 | 112.7 | | |
| 524 | S | 33.1 | Very low | 29.1 | Very low | 97 Ų | 97 | 128.2 Ų | 128.2 | 68% | 0.678 | 75% | 0.746 | S | S | * | * | | | trans | -73.3 | 153.9 | 151.7 | 57.6 | 0 | 0 | 0 | 0 | 110.3 | | |
| 525 | N | 28.2 | Very low | 29.3 | Very low | 128 Ų | 128 | 130.7 Ų | 130.7 | 68% | 0.684 | 75% | 0.754 | S | S | * | * | | | | 162.9 | 160.1 | 125.6 | -78.3 | -6.9 | 0 | 0 | 0 | 110.8 | | |
| 526 | L | 29.2 | Very low | 29 | Very low | 124 Ų | 124 | 131 Ų | 131 | 65% | 0.649 | 76% | 0.756 | S | S | * | * | | | trans | 77.9 | 112.4 | 171.7 | -50.4 | 173.4 | 0 | 0 | 0 | 117.9 | E1557 | L526-E1557 VanDerWaalsContact CD2-OE2 3.23Å; L526-E1557 WeakPolarHBondContact CD2-OE2 3.25Å |
| 527 | R | 28.9 | Very low | 29.2 | Very low | 119 Ų | 119 | 132.3 Ų | 132.3 | 45% | 0.449 | 76% | 0.764 | S | S | . | * | | | | 68.4 | 128.9 | 119 | -161.5 | 164.7 | -62.2 | -176 | 4.4 | 119.4 | T1554 Y1555 L1556 E1557 | R527-T1554 VanDerWaalsContact CD-O 3.27Å; R527-T1554 WeakPolarHBondContact CD-O 3.32Å; R527-T1554 VanDerWaalsContact NH1-C 3.26Å; R527-T1554 PolarHBondContact NH1-O 2.88Å; R527-Y1555 WeakPolarHBondContact CD-O 3.24Å; R527-Y1555 VanDerWaalsContact NE-C 3.35Å; R527-L1556 WeakPolarHBondContact CA-O 3.5Å; R527-L1556 VanDerWaalsContact CB-O 3.23Å; R527-L1556 WeakPolarHBondContact CB-O 2.73Å; R527-L1556 WeakPolarHBondContact CG-O 3.46Å; R527-L1556 VanDerWaalsContact NE-N 3.15Å; R527-L1556 PolarHBondContact NE-O 3.29Å; R527-E1557 IonicContact CZ-OE2 3.67Å; R527-E1557 IonicContact NE-OE2 3.97Å; R527-E1557 IonicContact NH2-OE2 2.65Å; R527-E1557 PolarHBondContact NH2-OE2 2.73Å |
| 528 | G | 27.1 | Very low | 29 | Very low | 48 Ų | 48 | 131.2 Ų | 131.2 | 50% | 0.495 | 76% | 0.757 | S | S | . | * | | | cis | 99 | 153.4 | -5.5 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 529 | V | 28.4 | Very low | 29.2 | Very low | 114 Ų | 114 | 137.4 Ų | 137.4 | 69% | 0.691 | 76% | 0.763 | S | S | * | * | | | cis | -149.2 | 86.5 | -18.6 | -169.2 | 0 | 0 | 0 | 0 | 109.9 | S531 | V529-S531 PolarHBondContact O-OG 3.45Š|
| 530 | S | 30.5 | Very low | 29.1 | Very low | 131 Ų | 131 | 138.2 Ų | 138.2 | 92% | 0.916 | 76% | 0.761 | S | S | * | * | | | trans | -99.2 | 96.7 | 160.2 | -64.3 | 0 | 0 | 0 | 0 | 107.2 | | |
| 531 | S | 27.5 | Very low | 28.9 | Very low | 95 Ų | 95 | 142.9 Ų | 142.9 | 66% | 0.664 | 77% | 0.765 | S | S | * | * | | | | 75.4 | 130 | 50.5 | -60.6 | 0 | 0 | 0 | 0 | 113.6 | V529 | V529-S531 PolarHBondContact O-OG 3.45Š|
| 532 | A | 31.6 | Very low | 28.9 | Very low | 100 Ų | 100 | 139.7 Ų | 139.7 | 83% | 0.826 | 77% | 0.767 | S | S | * | * | | | trans | 65.6 | 129.8 | -164.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 533 | T | 31.2 | Very low | 29.1 | Very low | 141 Ų | 141 | 138.5 Ų | 138.5 | 87% | 0.865 | 76% | 0.755 | S | S | * | * | | | cis | -130.3 | 148.3 | 2.1 | -72.5 | 0 | 0 | 0 | 0 | 111.1 | | |
| 534 | R | 25.4 | Very low | 29 | Very low | 227 Ų | 227 | 134.1 Ų | 134.1 | 86% | 0.857 | 75% | 0.75 | S | S | * | * | | | trans | -82.8 | 154.8 | -176.4 | -55.3 | 161.2 | 91.8 | -172.4 | 7.6 | 108.8 | | |
| 535 | Q | 32.5 | Very low | 28.8 | Very low | 198 Ų | 198 | 140.4 Ų | 140.4 | 93% | 0.925 | 76% | 0.759 | S | S | * | * | | | | -141.9 | 167 | 65 | -66.9 | -174.9 | -4.8 | 0 | 0 | 113.8 | | |
| 536 | S | 25.9 | Very low | 28.7 | Very low | 98 Ų | 98 | 139.3 Ų | 139.3 | 69% | 0.685 | 76% | 0.762 | S | S | * | * | | | trans | -146.4 | 119.9 | -174.4 | 58.1 | 0 | 0 | 0 | 0 | 112.8 | | |
| 537 | T | 32 | Very low | 28.6 | Very low | 136 Ų | 136 | 143.3 Ų | 143.3 | 83% | 0.834 | 77% | 0.774 | S | S | * | * | | | trans | -166.9 | 123.9 | 154.7 | 22.1 | 0 | 0 | 0 | 0 | 105.4 | | |
| 538 | V | 27.5 | Very low | 28.6 | Very low | 123 Ų | 123 | 145.7 Ų | 145.7 | 75% | 0.745 | 79% | 0.792 | S | S | * | * | | | cis | 64 | 85.9 | 33.8 | -166.1 | 0 | 0 | 0 | 0 | 113.2 | | |
| 539 | K | 31 | Very low | 28.7 | Very low | 206 Ų | 206 | 149.4 Ų | 149.4 | 90% | 0.896 | 81% | 0.805 | S | S | * | * | | | | -148.7 | 122.5 | 121.8 | -107.6 | 171.6 | -175.4 | 175.2 | 0 | 109.6 | | |
| 540 | H | 26 | Very low | 28.8 | Very low | 183 Ų | 183 | 150 Ų | 150 | 85% | 0.847 | 81% | 0.812 | S | S | * | * | | | trans | -65.3 | 148.4 | 158 | -65.3 | -94.9 | 0 | 0 | 0 | 108.5 | | |
| 541 | R | 25.5 | Very low | 28.8 | Very low | 221 Ų | 221 | 149.8 Ų | 149.8 | 83% | 0.834 | 81% | 0.805 | S | S | * | * | | | | 170 | 110 | 110.2 | -168.4 | 174.8 | -144.8 | 156.3 | 4 | 109.5 | V543 | R541-V543 HydrophobicContact CG-CG2 3.89Å; R541-V543 PolarHBondContact O-N 3.3Å |
| 542 | G | 27.8 | Very low | 28.7 | Very low | 80 Ų | 80 | 152 Ų | 152 | 83% | 0.825 | 81% | 0.814 | S | S | * | * | | | trans | -65.7 | 129.7 | 162.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 543 | V | 31 | Very low | 28.5 | Very low | 90 Ų | 90 | 153.1 Ų | 153.1 | 55% | 0.545 | 82% | 0.817 | S | S | . | * | | | trans | -127 | 96.2 | 170.4 | -177.1 | 0 | 0 | 0 | 0 | 107.6 | R541 R545 | R541-V543 HydrophobicContact CG-CG2 3.89Å; R541-V543 PolarHBondContact O-N 3.3Å; V543-R545 HydrophobicContact CG1-CG 3.99Å; V543-R545 PolarHBondContact O-N 2.98Å |
| 544 | N | 28.4 | Very low | 28.4 | Very low | 158 Ų | 158 | 152.1 Ų | 152.1 | 85% | 0.845 | 82% | 0.815 | S | S | * | * | | | trans | -61.1 | 118.4 | 162.2 | -70.7 | -23.3 | 0 | 0 | 0 | 107.6 | | |
| 545 | R | 29 | Very low | 28.7 | Very low | 229 Ų | 229 | 149.4 Ų | 149.4 | 86% | 0.864 | 82% | 0.818 | S | S | * | * | | | trans | -105 | 73.1 | 161.4 | -62.4 | -166.2 | -162 | -120.8 | 9.1 | 108.8 | V543 | V543-R545 HydrophobicContact CG1-CG 3.99Å; V543-R545 PolarHBondContact O-N 2.98Å |
| 546 | S | 26.8 | Very low | 28.7 | Very low | 105 Ų | 105 | 144 Ų | 144 | 73% | 0.734 | 81% | 0.807 | S | S | * | * | | | trans | -65 | 148 | 150.1 | -61.7 | 0 | 0 | 0 | 0 | 108.2 | | |
| 547 | F | 26.5 | Very low | 29 | Very low | 207 Ų | 207 | 149.4 Ų | 149.4 | 91% | 0.908 | 82% | 0.818 | S | S | * | * | | | trans | -61.7 | 135.9 | -174.9 | -59 | -93.7 | 0 | 0 | 0 | 112.3 | | |
| 548 | M | 28.3 | Very low | 29.1 | Very low | 170 Ų | 170 | 152 Ų | 152 | 84% | 0.837 | 82% | 0.821 | S | S | * | * | | | trans | -137.9 | 115.3 | 156.8 | -86.6 | -170.7 | 66.6 | 0 | 0 | 108.8 | | |
| 549 | T | 30.5 | Very low | 29.2 | Very low | 125 Ų | 125 | 151.8 Ų | 151.8 | 77% | 0.767 | 82% | 0.819 | S | S | * | * | | | trans | -70.1 | 152.4 | 163.4 | -4.9 | 0 | 0 | 0 | 0 | 109.4 | | |
| 550 | P | 29.1 | Very low | 29.3 | Very low | 128 Ų | 128 | 152 Ų | 152 | 83% | 0.831 | 82% | 0.821 | S | S | * | * | | | trans | -65.8 | 142.2 | -176 | -20.6 | 33.5 | 0 | 0 | 0 | 112.6 | | |
| 551 | T | 30.7 | Very low | 29.6 | Very low | 126 Ų | 126 | 148.9 Ų | 148.9 | 77% | 0.773 | 81% | 0.814 | S | S | * | * | | | trans | -127.1 | 131.6 | 164.3 | 34.6 | 0 | 0 | 0 | 0 | 109.4 | | |
| 552 | T | 26.1 | Very low | 29.9 | Very low | 140 Ų | 140 | 150.1 Ų | 150.1 | 86% | 0.859 | 82% | 0.819 | S | S | * | * | | | trans | -86.3 | 133 | 176.9 | 42.4 | 0 | 0 | 0 | 0 | 110.6 | | |
| 553 | S | 27.4 | Very low | 30.1 | Very low | 125 Ų | 125 | 154.5 Ų | 154.5 | 87% | 0.874 | 82% | 0.818 | S | S | * | * | | | trans | -172.5 | 145.5 | 144.5 | 28.6 | 0 | 0 | 0 | 0 | 110.3 | | |
| 554 | S | 29.6 | Very low | 30.1 | Very low | 119 Ų | 119 | 155.7 Ų | 155.7 | 83% | 0.832 | 83% | 0.83 | S | S | * | * | | | trans | -101.2 | 149.5 | 175.4 | 46.8 | 0 | 0 | 0 | 0 | 110.3 | | |
| 555 | D | 32.2 | Very low | 30.4 | Very low | 171 Ų | 171 | 154.7 Ų | 154.7 | 91% | 0.914 | 82% | 0.824 | S | S | * | * | | | trans | -154.2 | 152.4 | 141.3 | -144.6 | -17.6 | 0 | 0 | 0 | 111.2 | | |
| 556 | A | 30.5 | Very low | 30.4 | Very low | 84 Ų | 84 | 155 Ų | 155 | 69% | 0.694 | 82% | 0.824 | S | S | * | * | | | trans | -115.5 | 151.5 | -169.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 557 | K | 33 | Very low | 30.5 | Very low | 212 Ų | 212 | 154.8 Ų | 154.8 | 92% | 0.922 | 82% | 0.823 | S | S | * | * | | | trans | -134 | 141.4 | 165.4 | -74.8 | -168.6 | 175.1 | 177.7 | 0 | 111.7 | | |
| 558 | Q | 34 | Very low | 30.8 | Very low | 190 Ų | 190 | 153.5 Ų | 153.5 | 89% | 0.888 | 82% | 0.822 | S | S | * | * | | | trans | -89.1 | 138 | -162 | -65.5 | 174.2 | -10.1 | 0 | 0 | 114 | | |
| 559 | V | 30.3 | Very low | 31.1 | Very low | 118 Ų | 118 | 151 Ų | 151 | 72% | 0.715 | 82% | 0.819 | S | S | * | * | | | trans | 22.7 | 130.1 | 133.2 | -171.2 | 0 | 0 | 0 | 0 | 118.7 | | |
| 560 | K | 33.7 | Very low | 31.1 | Very low | 212 Ų | 212 | 152.5 Ų | 152.5 | 92% | 0.922 | 82% | 0.822 | S | S | * | * | | | trans | -129.6 | 124.5 | 142.2 | -84.7 | -168.8 | 173.9 | -177.7 | 0 | 110.7 | | |
| 561 | T | 31.4 | Very low | 31 | Very low | 116 Ų | 116 | 154.5 Ų | 154.5 | 71% | 0.712 | 82% | 0.82 | S | S | * | * | | | trans | -81.4 | 149 | -178.7 | -47.3 | 0 | 0 | 0 | 0 | 112.2 | | |
| 562 | R | 32.5 | Very low | 31 | Very low | 247 Ų | 247 | 154.3 Ų | 154.3 | 93% | 0.932 | 82% | 0.824 | S | S | * | * | | | trans | -148.3 | 158.2 | 150.6 | -125.8 | 174.9 | -179.7 | 167.5 | 0.2 | 110.4 | | |
| 563 | E | 30.9 | Very low | 31.2 | Very low | 172 Ų | 172 | 153 Ų | 153 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | | | trans | -123.3 | 155.8 | -150 | -49.6 | 166.9 | 116.2 | 0 | 0 | 114.1 | | |
| 564 | S | 30.4 | Very low | 31.2 | Very low | 115 Ų | 115 | 154.8 Ų | 154.8 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | | | trans | 69.4 | 154.4 | 153.1 | -143.4 | 0 | 0 | 0 | 0 | 115 | | |
| 565 | I | 35.8 | Very low | 31.1 | Very low | 138 Ų | 138 | 154 Ų | 154 | 71% | 0.708 | 81% | 0.811 | S | S | * | * | | | cis | -157.5 | 144.2 | 41.2 | -76.8 | 176.4 | 0 | 0 | 0 | 109.7 | | |
| 566 | R | 28.7 | Very low | 30.8 | Very low | 234 Ų | 234 | 150.8 Ų | 150.8 | 88% | 0.883 | 80% | 0.802 | S | S | * | * | | | trans | 26.9 | 153.1 | 145 | -58.4 | 176.2 | -172.9 | -164.1 | 0.7 | 121.4 | | |
| 567 | S | 29.1 | Very low | 30.8 | Very low | 101 Ų | 101 | 152.4 Ų | 152.4 | 71% | 0.706 | 81% | 0.808 | S | S | * | * | | | cis | -175.5 | 146.9 | 1.2 | 38.1 | 0 | 0 | 0 | 0 | 113.4 | | |
| 568 | M | 32 | Very low | 31.4 | Very low | 180 Ų | 180 | 147.9 Ų | 147.9 | 89% | 0.887 | 80% | 0.8 | S | S | * | * | | | trans | 52.2 | 143 | 144.8 | -63.5 | -58.9 | 174.4 | 0 | 0 | 123.8 | | |
| 569 | P | 34.9 | Very low | 31.1 | Very low | 119 Ų | 119 | 148.7 Ų | 148.7 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | | | trans | -100.7 | 176 | 173.8 | 41.6 | -36.1 | 0 | 0 | 0 | 114.3 | | |
| 570 | N | 30.8 | Very low | 31.1 | Very low | 155 Ų | 155 | 149.7 Ų | 149.7 | 83% | 0.829 | 81% | 0.811 | S | S | * | * | | | trans | -157.1 | 165.7 | 155.9 | -154.9 | 1.2 | 0 | 0 | 0 | 112.4 | | |
| 571 | E | 26.1 | Very low | 31 | Very low | 170 Ų | 170 | 146.6 Ų | 146.6 | 79% | 0.794 | 81% | 0.805 | S | S | * | * | | | trans | -104.5 | 167.9 | -163.3 | -51.4 | 170.1 | 100.3 | 0 | 0 | 115.8 | | |
| 572 | S | 30.9 | Very low | 31 | Very low | 123 Ų | 123 | 146.5 Ų | 146.5 | 86% | 0.86 | 81% | 0.809 | S | S | * | * | | | trans | 170.6 | 134.1 | 133.1 | -77.5 | 0 | 0 | 0 | 0 | 113.4 | | |
| 573 | P | 31.7 | Very low | 30.8 | Very low | 112 Ų | 112 | 146.1 Ų | 146.1 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | | | trans | -131.6 | 173.4 | -179.7 | 45.1 | -32.6 | 0 | 0 | 0 | 117.2 | | |
| 574 | I | 26 | Very low | 30.8 | Very low | 162 Ų | 162 | 149.8 Ų | 149.8 | 83% | 0.831 | 81% | 0.814 | S | S | * | * | | | trans | 75.5 | 123.2 | 162.6 | -48.5 | 162.9 | 0 | 0 | 0 | 119.3 | | |
| 575 | S | 28.6 | Very low | 30.6 | Very low | 104 Ų | 104 | 150.2 Ų | 150.2 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | | | | 162.3 | 107.3 | 120.1 | 72.6 | 0 | 0 | 0 | 0 | 118.2 | | |
| 576 | S | 26.6 | Very low | 30.3 | Very low | 103 Ų | 103 | 153.3 Ų | 153.3 | 72% | 0.72 | 82% | 0.816 | S | S | * | * | | | trans | 43.9 | 123.2 | 131.6 | 62.7 | 0 | 0 | 0 | 0 | 126.6 | | |
| 577 | S | 29.2 | Very low | 30.3 | Very low | 117 Ų | 117 | 149.9 Ų | 149.9 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | | | | 85.7 | 175.9 | 129 | -48.3 | 0 | 0 | 0 | 0 | 120.5 | | |
| 578 | P | 45.6 | Very low | 30.4 | Very low | 118 Ų | 118 | 150.5 Ų | 150.5 | 77% | 0.766 | 81% | 0.814 | S | S | * | * | | | | -137.7 | 162 | -99.3 | 38.5 | -17.7 | 0 | 0 | 0 | 118.3 | | |
| 579 | K | 28.3 | Very low | 30.5 | Very low | 207 Ų | 207 | 147.2 Ų | 147.2 | 90% | 0.9 | 81% | 0.807 | S | S | * | * | | | trans | -173.7 | 139.8 | 161.9 | -115.9 | 165.6 | -175.6 | 172.8 | 0 | 114.5 | | |
| 580 | C | 30.9 | Very low | 30.2 | Very low | 138 Ų | 138 | 149.7 Ų | 149.7 | 93% | 0.932 | 81% | 0.811 | S | S | * | * | | | trans | 164.6 | 157.8 | 138.2 | -93.8 | 0 | 0 | 0 | 0 | 112.8 | | |
| 581 | D | 29.8 | Very low | 30.1 | Very low | 147 Ų | 147 | 145.7 Ų | 145.7 | 79% | 0.786 | 81% | 0.807 | S | S | * | * | | | trans | -146.9 | 139 | -173.6 | 163.5 | 34 | 0 | 0 | 0 | 110.4 | | |
| 582 | S | 32.9 | Very low | 30 | Very low | 114 Ų | 114 | 145.4 Ų | 145.4 | 80% | 0.797 | 81% | 0.811 | S | S | * | * | | | trans | -175 | 122 | 153.2 | -87.8 | 0 | 0 | 0 | 0 | 115.9 | | |
| 583 | R | 28.5 | Very low | 29.9 | Very low | 239 Ų | 239 | 144.9 Ų | 144.9 | 90% | 0.902 | 81% | 0.808 | S | S | * | * | | | trans | -12.8 | 131 | 154.9 | -52.3 | 169.5 | -174.6 | 174.9 | -0 | 119.2 | | |
| 584 | R | 30.9 | Very low | 30 | Very low | 249 Ų | 249 | 144.2 Ų | 144.2 | 94% | 0.94 | 81% | 0.811 | S | S | * | * | | | | -163.6 | 157.6 | 121.4 | -114.1 | -179.2 | -166.5 | -109 | 2.3 | 112.7 | | |
| 585 | T | 25.3 | Very low | 30.2 | Very low | 125 Ų | 125 | 146 Ų | 146 | 77% | 0.767 | 81% | 0.813 | S | S | * | * | | | trans | -120.8 | 139.6 | -179 | -49 | 0 | 0 | 0 | 0 | 109 | | |
| 586 | Y | 30.1 | Very low | 30.3 | Very low | 203 Ų | 203 | 150.7 Ų | 150.7 | 80% | 0.796 | 82% | 0.82 | S | S | * | * | | | trans | -173.7 | 164.5 | 134.2 | -120.1 | -95.1 | 0 | 0 | 0 | 112.5 | | |
| 587 | E | 28.2 | Very low | 30.6 | Very low | 162 Ų | 162 | 151.5 Ų | 151.5 | 76% | 0.757 | 82% | 0.823 | S | S | * | * | | | trans | -47.9 | 159.4 | -163.1 | -66.9 | 160.3 | 177.5 | 0 | 0 | 122.1 | | |
| 588 | S | 30.6 | Very low | 30.6 | Very low | 113 Ų | 113 | 153.7 Ų | 153.7 | 79% | 0.79 | 82% | 0.824 | S | S | * | * | | | trans | -94.9 | 152.9 | 159.7 | -47.1 | 0 | 0 | 0 | 0 | 109.8 | | |
| 589 | P | 34.3 | Very low | 29.6 | Very low | 112 Ų | 112 | 154.5 Ų | 154.5 | 73% | 0.727 | 83% | 0.827 | S | S | * | * | | | | -154.9 | 159.6 | 88.6 | 39.4 | -20.5 | 0 | 0 | 0 | 118.1 | | |
| 590 | I | 29 | Very low | 29.6 | Very low | 170 Ų | 170 | 149.1 Ų | 149.1 | 87% | 0.872 | 82% | 0.815 | S | S | * | * | | | trans | 39.9 | 118.7 | 139.1 | -55.6 | 167.2 | 0 | 0 | 0 | 119.4 | | |
| 591 | G | 28.1 | Very low | 29.5 | Very low | 72 Ų | 72 | 147.9 Ų | 147.9 | 74% | 0.742 | 80% | 0.804 | S | S | * | * | | | trans | -179 | 116.6 | 162.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 592 | N | 24.5 | Very low | 29.5 | Very low | 163 Ų | 163 | 150.8 Ų | 150.8 | 87% | 0.872 | 81% | 0.81 | S | S | * | * | | | trans | -110.5 | 71.3 | -164 | 55.4 | -37.6 | 0 | 0 | 0 | 115.1 | | |
| 593 | S | 29.2 | Very low | 29.2 | Very low | 113 Ų | 113 | 153.3 Ų | 153.3 | 79% | 0.79 | 81% | 0.813 | S | S | * | * | | | trans | -154.9 | -177.9 | 165.6 | -163.8 | 0 | 0 | 0 | 0 | 113 | | |
| 594 | A | 32.6 | Very low | 29.2 | Very low | 97 Ų | 97 | 153.9 Ų | 153.9 | 80% | 0.802 | 82% | 0.816 | S | S | * | * | | | trans | 62.4 | 53.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 595 | K | 31.4 | Very low | 28.8 | Very low | 201 Ų | 201 | 154.1 Ų | 154.1 | 87% | 0.874 | 82% | 0.816 | S | S | * | * | | | trans | -75.7 | 131.1 | 177.4 | -64.9 | 178.8 | 179.6 | 177.1 | 0 | 113.2 | | |
| 596 | K | 30.9 | Very low | 28.8 | Very low | 202 Ų | 202 | 151.3 Ų | 151.3 | 88% | 0.878 | 81% | 0.812 | S | S | * | * | | | trans | -120.2 | 124.8 | 155.5 | -69.7 | -176.8 | -180 | -179.3 | 0 | 109.2 | | |
| 597 | P | 32 | Very low | 28.8 | Very low | 120 Ų | 120 | 148.3 Ų | 148.3 | 78% | 0.779 | 82% | 0.815 | S | S | * | * | | | trans | -99.2 | 143.5 | 160.6 | -0 | 20.7 | 0 | 0 | 0 | 110.7 | | |
| 598 | I | 29.7 | Very low | 28.6 | Very low | 163 Ų | 163 | 145.5 Ų | 145.5 | 84% | 0.836 | 82% | 0.82 | S | S | * | * | | | trans | -91.9 | 159.9 | 165 | -67 | 170 | 0 | 0 | 0 | 107.9 | | |
| 599 | T | 25.2 | Very low | 28.7 | Very low | 135 Ų | 135 | 149 Ų | 149 | 83% | 0.828 | 82% | 0.824 | S | S | * | * | | | trans | -57.9 | -176.9 | 169.2 | -7.8 | 0 | 0 | 0 | 0 | 112.9 | | |
| 600 | S | 28.1 | Very low | 28.3 | Very low | 94 Ų | 94 | 147.3 Ų | 147.3 | 66% | 0.657 | 83% | 0.827 | S | S | * | * | | | trans | 86.5 | 97.3 | 175.7 | 179.2 | 0 | 0 | 0 | 0 | 116.8 | | |
| 601 | T | 27.8 | Very low | 28 | Very low | 112 Ų | 112 | 150 Ų | 150 | 69% | 0.687 | 83% | 0.826 | S | S | * | * | | | | 33.5 | 124.9 | 122.1 | 23.1 | 0 | 0 | 0 | 0 | 120 | | |
| 602 | F | 30.1 | Very low | 28 | Very low | 208 Ų | 208 | 154.2 Ų | 154.2 | 91% | 0.912 | 83% | 0.83 | S | S | * | * | | | | -150.2 | 124.9 | 113.7 | -93.7 | -66.4 | 0 | 0 | 0 | 111.3 | | |
| 603 | L | 26.4 | Very low | 28.2 | Very low | 167 Ų | 167 | 149.5 Ų | 149.5 | 87% | 0.874 | 82% | 0.82 | S | S | * | * | | | trans | -74 | 130 | 160.4 | -76.2 | 164.5 | 0 | 0 | 0 | 108.5 | | |
| 604 | R | 28.4 | Very low | 28 | Very low | 251 Ų | 251 | 152.1 Ų | 152.1 | 95% | 0.947 | 82% | 0.824 | S | S | * | * | | | trans | -142.3 | 131.6 | 160 | -131.8 | 177.5 | -171 | -154.2 | -0.4 | 112.2 | | |
| 605 | R | 23.1 | Very low | 27.7 | Very low | 253 Ų | 253 | 151.1 Ų | 151.1 | 96% | 0.955 | 82% | 0.823 | S | S | * | * | | | trans | -96.6 | 144.1 | -172.3 | -168 | -173 | -163.9 | -162.5 | 8.1 | 109.9 | | |
| 606 | G | 25.7 | Very low | 27.5 | Very low | 66 Ų | 66 | 152.5 Ų | 152.5 | 68% | 0.68 | 82% | 0.823 | S | S | * | * | | | trans | 89.5 | 160.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 607 | T | 29.5 | Very low | 27.4 | Very low | 140 Ų | 140 | 152 Ų | 152 | 86% | 0.859 | 82% | 0.82 | S | S | * | * | | | cis | -142.9 | 154.8 | 5.9 | 36.8 | 0 | 0 | 0 | 0 | 111.5 | | |
| 608 | A | 24.2 | Very low | 27.2 | Very low | 104 Ų | 104 | 154.3 Ų | 154.3 | 86% | 0.86 | 83% | 0.825 | S | S | * | * | | | trans | -78.9 | 124.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 609 | Q | 31.6 | Very low | 27 | Very low | 185 Ų | 185 | 150.9 Ų | 150.9 | 86% | 0.864 | 82% | 0.816 | S | S | * | * | | | trans | -147.4 | 120.9 | 154.9 | -95.2 | 163.4 | -24 | 0 | 0 | 104 | | |
| 610 | G | 26.2 | Very low | 27 | Very low | 78 Ų | 78 | 149.8 Ų | 149.8 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | | | | 72.8 | 120.9 | 88.9 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 611 | R | 24.4 | Very low | 27 | Very low | 225 Ų | 225 | 152 Ų | 152 | 85% | 0.849 | 81% | 0.813 | S | S | * | * | | | cis | -176.3 | 128.9 | 36.4 | 172.3 | -171.8 | -162.6 | -150.2 | 8.1 | 110.9 | | |
| 612 | I | 27 | Very low | 27 | Very low | 161 Ų | 161 | 153.5 Ų | 153.5 | 83% | 0.826 | 82% | 0.817 | S | S | * | * | | | trans | 64.2 | 138.5 | 161.7 | -60.4 | 168.4 | 0 | 0 | 0 | 115.4 | | |
| 613 | G | 28.5 | Very low | 26.8 | Very low | 64 Ų | 64 | 150.9 Ų | 150.9 | 66% | 0.66 | 81% | 0.811 | S | S | * | * | | | cis | -141.2 | 166.2 | 9 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 614 | I | 26.4 | Very low | 26.8 | Very low | 169 Ų | 169 | 148.6 Ų | 148.6 | 87% | 0.867 | 80% | 0.8 | S | S | * | * | | | trans | -84.6 | 119.5 | 179.5 | -64.8 | 170 | 0 | 0 | 0 | 108.8 | | |
| 615 | G | 26.3 | Very low | 26.7 | Very low | 76 Ų | 76 | 144.3 Ų | 144.3 | 78% | 0.784 | 79% | 0.791 | S | S | * | * | | | trans | -116.6 | 29.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | K617 | G615-K617 VanDerWaalsContact C-N 3.27Å; G615-K617 PolarHBondContact O-N 3.47Å |
| 616 | R | 27.1 | Very low | 26.6 | Very low | 230 Ų | 230 | 143 Ų | 143 | 87% | 0.868 | 79% | 0.787 | S | S | * | * | | | trans | -71.5 | 80.5 | 173.2 | -70.5 | -170 | -170.8 | 169 | 3.3 | 110.5 | L618 | R616-L618 PolarHBondContact O-N 2.81Š|
| 617 | K | 28.2 | Very low | 26.7 | Very low | 191 Ų | 191 | 145.5 Ų | 145.5 | 83% | 0.83 | 79% | 0.794 | S | S | * | * | | | trans | -73.8 | 82.1 | 158.4 | -87 | -157.9 | 171.7 | -164.7 | 0 | 109.4 | G615 | G615-K617 VanDerWaalsContact C-N 3.27Å; G615-K617 PolarHBondContact O-N 3.47Å |
| 618 | L | 27.2 | Very low | 26.4 | Very low | 169 Ų | 169 | 144.7 Ų | 144.7 | 89% | 0.885 | 79% | 0.785 | S | S | * | * | | | trans | -74.1 | 110.5 | 138.1 | -74.1 | 169.1 | 0 | 0 | 0 | 105 | R616 | R616-L618 PolarHBondContact O-N 2.81Š|
| 619 | S | 26.3 | Very low | 26.6 | Very low | 91 Ų | 91 | 144.9 Ų | 144.9 | 64% | 0.636 | 78% | 0.779 | S | S | * | * | | | trans | -110.6 | 131.6 | 173.7 | -161 | 0 | 0 | 0 | 0 | 108.2 | | |
| 620 | T | 24.9 | Very low | 26.4 | Very low | 111 Ų | 111 | 141.8 Ų | 141.8 | 68% | 0.681 | 77% | 0.769 | S | S | * | * | | | trans | -60.8 | -177.8 | 174.9 | -28.3 | 0 | 0 | 0 | 0 | 111.9 | | |
| 621 | D | 28.6 | Very low | 26.4 | Very low | 140 Ų | 140 | 148.6 Ų | 148.6 | 75% | 0.749 | 78% | 0.776 | S | S | * | * | | | trans | 87.2 | 67.8 | 157.1 | -46.1 | -38 | 0 | 0 | 0 | 117.5 | | |
| 622 | N | 26.8 | Very low | 26.6 | Very low | 144 Ų | 144 | 142.4 Ų | 142.4 | 77% | 0.77 | 77% | 0.768 | S | S | * | * | | | | -150.8 | 117 | 99.2 | -158.4 | -22.3 | 0 | 0 | 0 | 111.4 | | |
| 623 | I | 25.7 | Very low | 26.9 | Very low | 153 Ų | 153 | 139.6 Ų | 139.6 | 79% | 0.785 | 76% | 0.762 | S | S | * | * | | | trans | -106.6 | 112.4 | 165.4 | -65.6 | 175.1 | 0 | 0 | 0 | 107.2 | | |
| 624 | N | 26.9 | Very low | 27.3 | Very low | 120 Ų | 120 | 140.9 Ų | 140.9 | 64% | 0.642 | 76% | 0.761 | S | S | * | * | | | trans | -150.4 | 119.9 | 154.8 | -105 | -63.6 | 0 | 0 | 0 | 110.4 | | |
| 625 | Q | 26.4 | Very low | 27.6 | Very low | 161 Ų | 161 | 135.5 Ų | 135.5 | 75% | 0.752 | 74% | 0.738 | S | S | * | * | | | trans | 48.1 | 89.9 | 152.7 | -58.4 | 175.1 | 54.4 | 0 | 0 | 115.8 | | |
| 626 | Y | 21.6 | Very low | 28.3 | Very low | 226 Ų | 226 | 138.4 Ų | 138.4 | 89% | 0.886 | 73% | 0.734 | S | S | * | * | | | | 44.1 | 86.6 | 96.9 | -88.8 | -95.1 | 0 | 0 | 0 | 114.4 | | |
| 627 | S | 27.2 | Very low | 29.3 | Very low | 117 Ų | 117 | 131.2 Ų | 131.2 | 82% | 0.818 | 72% | 0.719 | S | S | * | * | | | trans | -139 | 102.1 | 142 | -82.3 | 0 | 0 | 0 | 0 | 108.4 | S629 | S627-S629 PolarHBondContact O-N 3.34Š|
| 628 | N | 23.3 | Very low | 30.5 | Very low | 124 Ų | 124 | 126 Ų | 126 | 66% | 0.663 | 70% | 0.7 | S | S | * | * | | | trans | -66.3 | 114.8 | -170.4 | 179 | 5.4 | 0 | 0 | 0 | 111.3 | N630 | N628-N630 PolarHBondContact OD1-N 2.9Å; N628-N630 PolarHBondContact OD1-ND2 2.89Å; N628-N630 PolarHBondContact OD1-OD1 3.49Å |
| 629 | S | 28.2 | Very low | 31.6 | Very low | 107 Ų | 107 | 127.3 Ų | 127.3 | 75% | 0.748 | 69% | 0.693 | S | S | * | * | | | trans | -132.2 | 74.5 | 163 | 45.7 | 0 | 0 | 0 | 0 | 109 | S627 K631 | S627-S629 PolarHBondContact O-N 3.34Å; S629-K631 PolarHBondContact O-N 3.13Å |
| 630 | N | 26.4 | Very low | 33.5 | Very low | 121 Ų | 121 | 127.4 Ų | 127.4 | 65% | 0.647 | 69% | 0.686 | S | S | * | * | | | trans | -55.5 | 119.1 | -176.7 | -84.6 | -25.2 | 0 | 0 | 0 | 112.6 | N628 S632 | N628-N630 PolarHBondContact OD1-N 2.9Å; N628-N630 PolarHBondContact OD1-ND2 2.89Å; N628-N630 PolarHBondContact OD1-OD1 3.49Å; N630-S632 PolarHBondContact O-N 2.89Å |
| 631 | K | 27.7 | Very low | 35.5 | Very low | 221 Ų | 221 | 124.4 Ų | 124.4 | 96% | 0.961 | 67% | 0.672 | S | S | * | * | | | trans | -71.7 | 67.9 | 166 | -69.2 | 178 | 175.9 | 175.7 | 0 | 110.3 | S629 | S629-K631 PolarHBondContact O-N 3.13Š|
| 632 | S | 28.5 | Very low | 37.5 | Very low | 95 Ų | 95 | 121.3 Ų | 121.3 | 66% | 0.664 | 66% | 0.661 | S | S | * | * | | | trans | -135.5 | 19.2 | -176.4 | 65.6 | 0 | 0 | 0 | 0 | 115 | N630 | N630-S632 PolarHBondContact O-N 2.89Š|
| 633 | S | 32.6 | Very low | 39.4 | Very low | 101 Ų | 101 | 117.4 Ų | 117.4 | 71% | 0.706 | 64% | 0.643 | S | S | * | * | | | trans | -156.2 | 108.1 | 144.4 | 53.6 | 0 | 0 | 0 | 0 | 109.5 | C635 | S633-C635 VanDerWaalsContact C-N 3.26Å; S633-C635 PolarHBondContact O-N 3.07Å |
| 634 | S | 36.2 | Very low | 41.8 | Very low | 91 Ų | 91 | 112.9 Ų | 112.9 | 64% | 0.636 | 62% | 0.622 | S | S | * | * | | | trans | -70.3 | 97.6 | 159.9 | 179.5 | 0 | 0 | 0 | 0 | 105.5 | D638 | S634-D638 WeakPolarHBondContact CA-OD2 3.4Å; S634-D638 WeakPolarHBondContact CB-OD2 3.39Å; S634-D638 WeakPolarHBondContact OG-CB 3.47Å; S634-D638 PolarHBondContact OG-OD2 3.04Å |
| 635 | C | 34.5 | Very low | 44 | Very low | 57 Ų | 57 | 110.4 Ų | 110.4 | 39% | 0.385 | 61% | 0.614 | S | S | . | * | | | trans | -63.8 | 160.4 | -168.3 | 66.5 | 0 | 0 | 0 | 0 | 109.9 | S633 S637 D638 | S633-C635 VanDerWaalsContact C-N 3.26Å; S633-C635 PolarHBondContact O-N 3.07Å; C635-S637 PolarHBondContact O-N 2.99Å; C635-S637 WeakPolarHBondContact SG-CB 3.45Å; C635-D638 PolarHBondContact N-OD2 3.37Å; C635-D638 PolarHBondContact O-N 3.13Å |
| 636 | I | 40.5 | Very low | 46.2 | Very low | 137 Ų | 137 | 105.4 Ų | 105.4 | 70% | 0.703 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -57.9 | -22.6 | 178.5 | -60.1 | 172.7 | 0 | 0 | 0 | 110.6 | D638 R639 I640 | I636-D638 PolarHBondContact O-N 3.04Å; I636-R639 PolarHBondContact O-N 3.35Å; I636-I640 HydrophobicContact CG2-CD1 3.81Å; I636-I640 HydrophobicContact CG2-CG1 4.15Å; I636-I640 WeakPolarHBondContact O-CB 3.5Å; I636-I640 VanDerWaalsContact O-CG1 3.29Å; I636-I640 WeakPolarHBondContact O-CG1 3.44Å; I636-I640 PolarHBondContact O-N 2.98Å |
| 637 | S | 48 | Very low | 48.8 | Very low | 78 Ų | 78 | 97 Ų | 97 | 55% | 0.545 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -61.1 | -33.6 | 170.7 | -142.8 | 0 | 0 | 0 | 0 | 114.4 | C635 A641 | C635-S637 PolarHBondContact O-N 2.99Å; C635-S637 WeakPolarHBondContact SG-CB 3.45Å; S637-A641 WeakPolarHBondContact O-CB 3.38Å; S637-A641 PolarHBondContact O-N 3.42Å |
| 638 | D | 52.9 | Low | 51.2 | Low | 82 Ų | 82 | 98.1 Ų | 98.1 | 44% | 0.439 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -69 | -42.1 | 176.4 | -66 | -26.1 | 0 | 0 | 0 | 111.1 | S634 C635 I636 A641 S642 | S634-D638 WeakPolarHBondContact CA-OD2 3.4Å; S634-D638 WeakPolarHBondContact CB-OD2 3.39Å; S634-D638 WeakPolarHBondContact OG-CB 3.47Å; S634-D638 PolarHBondContact OG-OD2 3.04Å; C635-D638 PolarHBondContact N-OD2 3.37Å; C635-D638 PolarHBondContact O-N 3.13Å; I636-D638 PolarHBondContact O-N 3.04Å; D638-A641 PolarHBondContact O-N 3.48Å; D638-S642 VanDerWaalsContact O-CB 3.31Å; D638-S642 WeakPolarHBondContact O-CB 3.1Å; D638-S642 PolarHBondContact O-N 3.36Å |
| 639 | R | 50.6 | Low | 53.8 | Low | 196 Ų | 196 | 96 Ų | 96 | 74% | 0.74 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -69.9 | -38.3 | 175.7 | -73.7 | -169 | 175.8 | -153.9 | -0.6 | 111.5 | I636 V643 | I636-R639 PolarHBondContact O-N 3.35Å; R639-V643 WeakPolarHBondContact O-CB 3.46Å; R639-V643 VanDerWaalsContact O-CG2 3.25Å; R639-V643 WeakPolarHBondContact O-CG2 3.41Å; R639-V643 PolarHBondContact O-N 2.93Å |
| 640 | I | 65.2 | Low | 56.1 | Low | 93 Ų | 93 | 94.2 Ų | 94.2 | 48% | 0.477 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.6 | -46.9 | 172.2 | -72.4 | 171 | 0 | 0 | 0 | 109.9 | I636 S642 V643 V644 | I636-I640 HydrophobicContact CG2-CD1 3.81Å; I636-I640 HydrophobicContact CG2-CG1 4.15Å; I636-I640 WeakPolarHBondContact O-CB 3.5Å; I636-I640 VanDerWaalsContact O-CG1 3.29Å; I636-I640 WeakPolarHBondContact O-CG1 3.44Å; I636-I640 PolarHBondContact O-N 2.98Å; I640-S642 PolarHBondContact O-N 3.24Å; I640-V643 PolarHBondContact O-N 3.37Å; I640-V644 HydrophobicContact CG2-CG2 4.11Å; I640-V644 VanDerWaalsContact O-CB 3.31Å; I640-V644 WeakPolarHBondContact O-CB 3.41Å; I640-V644 VanDerWaalsContact O-CG2 3.24Å; I640-V644 WeakPolarHBondContact O-CG2 3.4Å; I640-V644 PolarHBondContact O-N 3.42Å |
| 641 | A | 68.9 | Low | 58.7 | Low | 49 Ų | 49 | 97.3 Ų | 97.3 | 41% | 0.405 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -59.7 | -47.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | S637 D638 V643 V644 S645 | S637-A641 WeakPolarHBondContact O-CB 3.38Å; S637-A641 PolarHBondContact O-N 3.42Å; D638-A641 PolarHBondContact O-N 3.48Å; A641-V643 VanDerWaalsContact C-N 3.34Å; A641-V643 PolarHBondContact O-N 2.88Å; A641-V644 PolarHBondContact O-N 2.91Å; A641-S645 WeakPolarHBondContact O-CB 3.4Å; A641-S645 PolarHBondContact O-N 3.39Å; A641-S645 PolarHBondContact O-OG 3.32Å; A641-S645 VanDerWaalsContact O-OG 3.06Å |
| 642 | S | 68.8 | Low | 61.3 | Low | 74 Ų | 74 | 89.5 Ų | 89.5 | 52% | 0.517 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.7 | -38.4 | 176.1 | -179.1 | 0 | 0 | 0 | 0 | 113.1 | D638 I640 T646 | D638-S642 VanDerWaalsContact O-CB 3.31Å; D638-S642 WeakPolarHBondContact O-CB 3.1Å; D638-S642 PolarHBondContact O-N 3.36Å; I640-S642 PolarHBondContact O-N 3.24Å; S642-T646 WeakPolarHBondContact O-CB 3.48Å; S642-T646 WeakPolarHBondContact O-CG2 3.39Å; S642-T646 PolarHBondContact O-N 2.89Å; S642-T646 PolarHBondContact O-OG1 3.38Å |
| 643 | V | 67.1 | Low | 63.9 | Low | 62 Ų | 62 | 88.7 Ų | 88.7 | 38% | 0.376 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -70.5 | -40.8 | 174.5 | 168.5 | 0 | 0 | 0 | 0 | 111.4 | R639 I640 A641 T646 I647 | R639-V643 WeakPolarHBondContact O-CB 3.46Å; R639-V643 VanDerWaalsContact O-CG2 3.25Å; R639-V643 WeakPolarHBondContact O-CG2 3.41Å; R639-V643 PolarHBondContact O-N 2.93Å; I640-V643 PolarHBondContact O-N 3.37Å; A641-V643 VanDerWaalsContact C-N 3.34Å; A641-V643 PolarHBondContact O-N 2.88Å; V643-T646 WeakPolarHBondContact CA-OG1 3.26Å; V643-T646 PolarHBondContact O-N 3.12Å; V643-T646 PolarHBondContact O-OG1 3.25Å; V643-I647 HydrophobicContact CG1-CD1 3.79Å; V643-I647 WeakPolarHBondContact O-CD1 3.33Å; V643-I647 VanDerWaalsContact O-CG1 3.23Å; V643-I647 WeakPolarHBondContact O-CG1 3.37Å; V643-I647 PolarHBondContact O-N 3.44Å |
| 644 | V | 77.4 | Confident | 66.3 | Low | 58 Ų | 58 | 89.8 Ų | 89.8 | 35% | 0.352 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.3 | -51.1 | 175.9 | 166.9 | 0 | 0 | 0 | 0 | 110.1 | I640 A641 T646 I647 E648 | I640-V644 HydrophobicContact CG2-CG2 4.11Å; I640-V644 VanDerWaalsContact O-CB 3.31Å; I640-V644 WeakPolarHBondContact O-CB 3.41Å; I640-V644 VanDerWaalsContact O-CG2 3.24Å; I640-V644 WeakPolarHBondContact O-CG2 3.4Å; I640-V644 PolarHBondContact O-N 3.42Å; A641-V644 PolarHBondContact O-N 2.91Å; V644-T646 PolarHBondContact O-N 3.16Å; V644-I647 CarbonylContact O-C 3.31Å; V644-I647 WeakPolarHBondContact O-CA 3.33Å; V644-I647 WeakPolarHBondContact O-CB 3.33Å; V644-I647 PolarHBondContact O-N 3.41Å; V644-E648 VanDerWaalsContact CG1-CD 3.45Å; V644-E648 HydrophobicContact CG1-CG 4.22Å; V644-E648 VanDerWaalsContact CG1-OE1 3.31Å; V644-E648 WeakPolarHBondContact CG1-OE1 3.41Å; V644-E648 WeakPolarHBondContact O-CB 3.44Å; V644-E648 VanDerWaalsContact O-CG 3.3Å; V644-E648 WeakPolarHBondContact O-CG 3.25Å; V644-E648 PolarHBondContact O-N 3.37Å |
| 645 | S | 71.9 | Confident | 68.4 | Low | 69 Ų | 69 | 87.6 Ų | 87.6 | 48% | 0.483 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.2 | -29 | 175.3 | -58.8 | 0 | 0 | 0 | 0 | 113.4 | A641 A649 | A641-S645 WeakPolarHBondContact O-CB 3.4Å; A641-S645 PolarHBondContact O-N 3.39Å; A641-S645 PolarHBondContact O-OG 3.32Å; A641-S645 VanDerWaalsContact O-OG 3.06Å; S645-A649 VanDerWaalsContact O-CB 3.23Å; S645-A649 WeakPolarHBondContact O-CB 3.26Å; S645-A649 PolarHBondContact O-N 3.08Å |
| 646 | T | 73.9 | Confident | 70.7 | Confident | 55 Ų | 55 | 85.8 Ų | 85.8 | 34% | 0.337 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -83.3 | -19.3 | 172.3 | 52 | 0 | 0 | 0 | 0 | 114 | S642 V643 V644 Y650 Y656 | S642-T646 WeakPolarHBondContact O-CB 3.48Å; S642-T646 WeakPolarHBondContact O-CG2 3.39Å; S642-T646 PolarHBondContact O-N 2.89Å; S642-T646 PolarHBondContact O-OG1 3.38Å; V643-T646 WeakPolarHBondContact CA-OG1 3.26Å; V643-T646 PolarHBondContact O-N 3.12Å; V643-T646 PolarHBondContact O-OG1 3.25Å; V644-T646 PolarHBondContact O-N 3.16Å; T646-Y650 WeakPolarHBondContact O-CD2 3.29Å; T646-Y656 WeakPolarHBondContact O-CD2 3.47Å; T646-Y656 VanDerWaalsContact O-CE2 3.27Å; T646-Y656 WeakPolarHBondContact O-CE2 3.3Å; T646-Y656 PolarHBondContact OG1-OH 3.07Å |
| 647 | I | 74.9 | Confident | 72.6 | Confident | 50 Ų | 50 | 84.1 Ų | 84.1 | 26% | 0.256 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -74.9 | -42.9 | 165.4 | -70.1 | 160.5 | 0 | 0 | 0 | 110.2 | V643 V644 A649 Y650 P653 Y656 | V643-I647 HydrophobicContact CG1-CD1 3.79Å; V643-I647 WeakPolarHBondContact O-CD1 3.33Å; V643-I647 VanDerWaalsContact O-CG1 3.23Å; V643-I647 WeakPolarHBondContact O-CG1 3.37Å; V643-I647 PolarHBondContact O-N 3.44Å; V644-I647 CarbonylContact O-C 3.31Å; V644-I647 WeakPolarHBondContact O-CA 3.33Å; V644-I647 WeakPolarHBondContact O-CB 3.33Å; V644-I647 PolarHBondContact O-N 3.41Å; I647-A649 VanDerWaalsContact C-N 3.34Å; I647-Y650 PolarHBondContact O-N 3.32Å; I647-P653 HydrophobicContact CG2-CB 3.73Å; I647-P653 HydrophobicContact CG2-CG 3.95Å; I647-Y656 HydrophobicContact CB-CD1 4.41Å; I647-Y656 HydrophobicContact CD1-CD1 4.42Å; I647-Y656 HydrophobicContact CD1-CE1 4.25Å; I647-Y656 HydrophobicContact CG1-CD1 3.41Å; I647-Y656 VanDerWaalsContact CG1-CD1 3.41Å; I647-Y656 HydrophobicContact CG1-CE1 3.47Å; I647-Y656 VanDerWaalsContact CG1-CE1 3.47Å; I647-Y656 HydrophobicContact CG1-CG 3.96Å |
| 648 | E | 77.3 | Confident | 74.2 | Confident | 141 Ų | 141 | 86.1 Ų | 86.1 | 66% | 0.659 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -70.4 | -27.1 | 179.4 | -69.6 | 169.1 | 161.1 | 0 | 0 | 112.7 | V644 Y650 | V644-E648 VanDerWaalsContact CG1-CD 3.45Å; V644-E648 HydrophobicContact CG1-CG 4.22Å; V644-E648 VanDerWaalsContact CG1-OE1 3.31Å; V644-E648 WeakPolarHBondContact CG1-OE1 3.41Å; V644-E648 WeakPolarHBondContact O-CB 3.44Å; V644-E648 VanDerWaalsContact O-CG 3.3Å; V644-E648 WeakPolarHBondContact O-CG 3.25Å; V644-E648 PolarHBondContact O-N 3.37Å; E648-Y650 PolarHBondContact O-N 3.38Å; E648-Y650 VanDerWaalsContact O-N 3.14Å |
| 649 | A | 78 | Confident | 75.5 | Confident | 79 Ų | 79 | 87 Ų | 87 | 65% | 0.653 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | 2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | S645 I647 | S645-A649 VanDerWaalsContact O-CB 3.23Å; S645-A649 WeakPolarHBondContact O-CB 3.26Å; S645-A649 PolarHBondContact O-N 3.08Å; I647-A649 VanDerWaalsContact C-N 3.34Å |
| 650 | Y | 77.3 | Confident | 76.9 | Confident | 69 Ų | 69 | 84.3 Ų | 84.3 | 27% | 0.271 | 46% | 0.455 | S | S | . | . | S | Bend | trans | -121.9 | 123.9 | 176.3 | -76.4 | -117 | 0 | 0 | 0 | 109.7 | T646 I647 E648 D652 A655 Y656 Y659 | T646-Y650 WeakPolarHBondContact O-CD2 3.29Å; I647-Y650 PolarHBondContact O-N 3.32Å; E648-Y650 PolarHBondContact O-N 3.38Å; E648-Y650 VanDerWaalsContact O-N 3.14Å; Y650-D652 CarbonylContact O-C 2.95Å; Y650-D652 PolarHBondContact O-N 2.94Å; Y650-A655 HydrophobicContact CD1-CB 4.32Å; Y650-Y656 AromaticContact CD2-CD2 3.8Å; Y650-Y656 HydrophobicContact CD2-CD2 3.8Å; Y650-Y656 AromaticContact CE2-CD2 3.82Å; Y650-Y656 HydrophobicContact CE2-CD2 3.82Å; Y650-Y656 HydrophobicContact CG-CD2 4.27Å; Y650-Y659 HydrophobicContact CE1-CD1 4.18Å; Y650-Y659 HydrophobicContact CE1-CD2 4.3Å; Y650-Y659 AromaticContact CE1-CG 3.89Å; Y650-Y659 HydrophobicContact CE1-CG 3.89Å; Y650-Y659 AromaticContact CZ-CD1 3.92Å; Y650-Y659 VanDerWaalsContact OH-CD1 3.28Å; Y650-Y659 WeakPolarHBondContact OH-CD1 3.43Å; Y650-Y659 WeakPolarHBondContact OH-CE1 3.44Å |
| 651 | D | 79.7 | Confident | 77.5 | Confident | 186 Ų | 186 | 84.9 Ų | 84.9 | 100% | 0.995 | 46% | 0.457 | S | S | * | . | S | Bend | trans | -55.8 | -17.1 | -177.4 | -61.3 | -45.1 | 0 | 0 | 0 | 115.1 | | |
| 652 | D | 82.4 | Confident | 77.5 | Confident | 58 Ų | 58 | 90.7 Ų | 90.7 | 31% | 0.31 | 47% | 0.474 | S | S | . | . | S | Bend | trans | -133 | 124.4 | 164.7 | -174.4 | -11 | 0 | 0 | 0 | 108.8 | Y650 K654 A655 Y656 | Y650-D652 CarbonylContact O-C 2.95Å; Y650-D652 PolarHBondContact O-N 2.94Å; D652-K654 PolarHBondContact O-N 3.27Å; D652-K654 WeakPolarHBondContact OD1-CB 3.36Å; D652-K654 PolarHBondContact OD1-N 3.32Å; D652-K654 IonicContact OD1-NZ 2.66Å; D652-K654 PolarHBondContact OD1-NZ 3.07Å; D652-K654 IonicContact OD2-NZ 2.68Å; D652-K654 PolarHBondContact OD2-NZ 3.2Å; D652-A655 HydrophobicContact CB-CB 4.08Å; D652-A655 WeakPolarHBondContact O-CA 3.4Å; D652-A655 VanDerWaalsContact O-CB 3.24Å; D652-A655 WeakPolarHBondContact O-CB 3.41Å; D652-A655 PolarHBondContact O-N 3.08Å; D652-Y656 PolarHBondContact O-N 3.05Å |
| 653 | P | 84.1 | Confident | 77.2 | Confident | 78 Ų | 78 | 91.9 Ų | 91.9 | 51% | 0.506 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -53.4 | -25.3 | 169.6 | -31.2 | 38.1 | 0 | 0 | 0 | 113.9 | I647 Y656 L657 | I647-P653 HydrophobicContact CG2-CB 3.73Å; I647-P653 HydrophobicContact CG2-CG 3.95Å; P653-Y656 PolarHBondContact O-N 3.49Å; P653-L657 WeakPolarHBondContact O-CB 3.34Å; P653-L657 PolarHBondContact O-N 2.94Å |
| 654 | K | 83 | Confident | 76 | Confident | 124 Ų | 124 | 91.4 Ų | 91.4 | 54% | 0.539 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -73.9 | -28.5 | 170.6 | -62.9 | 176.6 | -115 | 61.1 | 0 | 112.8 | D652 L657 F658 | D652-K654 PolarHBondContact O-N 3.27Å; D652-K654 WeakPolarHBondContact OD1-CB 3.36Å; D652-K654 PolarHBondContact OD1-N 3.32Å; D652-K654 IonicContact OD1-NZ 2.66Å; D652-K654 PolarHBondContact OD1-NZ 3.07Å; D652-K654 IonicContact OD2-NZ 2.68Å; D652-K654 PolarHBondContact OD2-NZ 3.2Å; K654-L657 PolarHBondContact O-N 3.11Å; K654-F658 WeakPolarHBondContact O-CB 3.47Å; K654-F658 WeakPolarHBondContact O-CD2 3.06Å; K654-F658 PolarHBondContact O-N 3.42Å |
| 655 | A | 80.7 | Confident | 74.3 | Confident | 45 Ų | 45 | 94.3 Ų | 94.3 | 37% | 0.372 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -68.2 | -40.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y650 D652 F658 Y659 | Y650-A655 HydrophobicContact CD1-CB 4.32Å; D652-A655 HydrophobicContact CB-CB 4.08Å; D652-A655 WeakPolarHBondContact O-CA 3.4Å; D652-A655 VanDerWaalsContact O-CB 3.24Å; D652-A655 WeakPolarHBondContact O-CB 3.41Å; D652-A655 PolarHBondContact O-N 3.08Å; A655-F658 PolarHBondContact O-N 3.32Å; A655-Y659 WeakPolarHBondContact O-CB 3.28Å; A655-Y659 PolarHBondContact O-N 3Å |
| 656 | Y | 83.3 | Confident | 72.8 | Confident | 18 Ų | 18 | 99.3 Ų | 99.3 | 7% | 0.071 | 51% | 0.512 | C | S | . | . | H | α-helix | trans | -60.5 | -44.6 | 167.7 | -179.6 | -96.6 | 0 | 0 | 0 | 111.8 | T646 I647 Y650 D652 P653 F658 Y659 R660 | T646-Y656 WeakPolarHBondContact O-CD2 3.47Å; T646-Y656 VanDerWaalsContact O-CE2 3.27Å; T646-Y656 WeakPolarHBondContact O-CE2 3.3Å; T646-Y656 PolarHBondContact OG1-OH 3.07Å; I647-Y656 HydrophobicContact CB-CD1 4.41Å; I647-Y656 HydrophobicContact CD1-CD1 4.42Å; I647-Y656 HydrophobicContact CD1-CE1 4.25Å; I647-Y656 HydrophobicContact CG1-CD1 3.41Å; I647-Y656 VanDerWaalsContact CG1-CD1 3.41Å; I647-Y656 HydrophobicContact CG1-CE1 3.47Å; I647-Y656 VanDerWaalsContact CG1-CE1 3.47Å; I647-Y656 HydrophobicContact CG1-CG 3.96Å; Y650-Y656 AromaticContact CD2-CD2 3.8Å; Y650-Y656 HydrophobicContact CD2-CD2 3.8Å; Y650-Y656 AromaticContact CE2-CD2 3.82Å; Y650-Y656 HydrophobicContact CE2-CD2 3.82Å; Y650-Y656 HydrophobicContact CG-CD2 4.27Å; D652-Y656 PolarHBondContact O-N 3.05Å; P653-Y656 PolarHBondContact O-N 3.49Å; Y656-F658 PolarHBondContact O-N 3.02Å; Y656-Y659 PolarHBondContact O-N 2.85Å; Y656-R660 HydrophobicContact CD1-CG 3.89Å; Y656-R660 HydrophobicContact CD2-CG 4.4Å; Y656-R660 HydrophobicContact CE1-CG 3.52Å; Y656-R660 HydrophobicContact CE2-CG 4.08Å; Y656-R660 HydrophobicContact CG-CG 4.35Å; Y656-R660 WeakPolarHBondContact O-CB 3.32Å; Y656-R660 WeakPolarHBondContact O-CG 3.49Å; Y656-R660 PolarHBondContact O-N 2.81Å; Y656-R660 PolarHBondContact OH-NH1 3.19Å |
| 657 | L | 80 | Confident | 71.2 | Confident | 103 Ų | 103 | 104.8 Ų | 104.8 | 54% | 0.539 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.4 | -40.3 | 179.9 | -147.3 | 79.2 | 0 | 0 | 0 | 112.4 | P653 K654 R660 M661 | P653-L657 WeakPolarHBondContact O-CB 3.34Å; P653-L657 PolarHBondContact O-N 2.94Å; K654-L657 PolarHBondContact O-N 3.11Å; L657-R660 PolarHBondContact O-N 2.64Å; L657-M661 HydrophobicContact CB-CE 4.42Å; L657-M661 HydrophobicContact CD2-CE 4.24Å; L657-M661 HydrophobicContact CG-CE 4.21Å; L657-M661 WeakPolarHBondContact O-CB 3.36Å; L657-M661 WeakPolarHBondContact O-CE 3.25Å; L657-M661 VanDerWaalsContact O-CG 3.29Å; L657-M661 WeakPolarHBondContact O-CG 3.45Å; L657-M661 PolarHBondContact O-N 3.23Å |
| 658 | F | 81.8 | Confident | 69.2 | Low | 120 Ų | 120 | 109.5 Ų | 109.5 | 53% | 0.526 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -67.8 | -41 | 173.1 | -86.1 | -59.4 | 0 | 0 | 0 | 111.9 | K654 A655 Y656 M661 F662 | K654-F658 WeakPolarHBondContact O-CB 3.47Å; K654-F658 WeakPolarHBondContact O-CD2 3.06Å; K654-F658 PolarHBondContact O-N 3.42Å; A655-F658 PolarHBondContact O-N 3.32Å; Y656-F658 PolarHBondContact O-N 3.02Å; F658-M661 HydrophobicContact CD1-CE 3.83Å; F658-M661 HydrophobicContact CE1-CE 4.16Å; F658-M661 HydrophobicContact CG-CE 4.33Å; F658-M661 PolarHBondContact O-N 2.86Å; F658-M661 VanDerWaalsContact O-N 3.14Å; F658-F662 HydrophobicContact CB-CD2 4.45Å; F658-F662 HydrophobicContact CD1-CD2 4.13Å; F658-F662 AromaticContact CD1-CE2 3.71Å; F658-F662 HydrophobicContact CD1-CE2 3.71Å; F658-F662 HydrophobicContact CE1-CE2 4.27Å; F658-F662 WeakPolarHBondContact O-CB 3.34Å; F658-F662 WeakPolarHBondContact O-CD2 3.49Å; F658-F662 PolarHBondContact O-N 2.93Å |
| 659 | Y | 79.5 | Confident | 67 | Low | 101 Ų | 101 | 110.7 Ų | 110.7 | 40% | 0.396 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -57.9 | -50.5 | 172.4 | 178.1 | -96.6 | 0 | 0 | 0 | 110.1 | Y650 A655 Y656 M661 F662 Q663 | Y650-Y659 HydrophobicContact CE1-CD1 4.18Å; Y650-Y659 HydrophobicContact CE1-CD2 4.3Å; Y650-Y659 AromaticContact CE1-CG 3.89Å; Y650-Y659 HydrophobicContact CE1-CG 3.89Å; Y650-Y659 AromaticContact CZ-CD1 3.92Å; Y650-Y659 VanDerWaalsContact OH-CD1 3.28Å; Y650-Y659 WeakPolarHBondContact OH-CD1 3.43Å; Y650-Y659 WeakPolarHBondContact OH-CE1 3.44Å; A655-Y659 WeakPolarHBondContact O-CB 3.28Å; A655-Y659 PolarHBondContact O-N 3Å; Y656-Y659 PolarHBondContact O-N 2.85Å; Y659-M661 PolarHBondContact O-N 2.72Å; Y659-F662 PolarHBondContact O-N 2.68Å; Y659-Q663 VanDerWaalsContact CZ-NE2 3.27Å; Y659-Q663 WeakPolarHBondContact O-CA 3.11Å; Y659-Q663 WeakPolarHBondContact O-CB 3.46Å; Y659-Q663 PolarHBondContact O-N 2.67Å; Y659-Q663 PolarHBondContact OH-NE2 3.3Å; Y659-Q663 PolarHBondContact OH-OE1 2.87Å |
| 660 | R | 79.6 | Confident | 64.9 | Low | 139 Ų | 139 | 113.4 Ų | 113.4 | 53% | 0.525 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -64.4 | -18.6 | 174.2 | -71.1 | -67.2 | -60.4 | -91.9 | 3.3 | 115.1 | Y656 L657 | Y656-R660 HydrophobicContact CD1-CG 3.89Å; Y656-R660 HydrophobicContact CD2-CG 4.4Å; Y656-R660 HydrophobicContact CE1-CG 3.52Å; Y656-R660 HydrophobicContact CE2-CG 4.08Å; Y656-R660 HydrophobicContact CG-CG 4.35Å; Y656-R660 WeakPolarHBondContact O-CB 3.32Å; Y656-R660 WeakPolarHBondContact O-CG 3.49Å; Y656-R660 PolarHBondContact O-N 2.81Å; Y656-R660 PolarHBondContact OH-NH1 3.19Å; L657-R660 PolarHBondContact O-N 2.64Å |
| 661 | M | 77.5 | Confident | 62.7 | Low | 105 Ų | 105 | 116.8 Ų | 116.8 | 52% | 0.517 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -91.6 | -31.1 | 174.8 | -78.8 | -173.7 | -71.1 | 0 | 0 | 113.4 | L657 F658 Y659 | L657-M661 HydrophobicContact CB-CE 4.42Å; L657-M661 HydrophobicContact CD2-CE 4.24Å; L657-M661 HydrophobicContact CG-CE 4.21Å; L657-M661 WeakPolarHBondContact O-CB 3.36Å; L657-M661 WeakPolarHBondContact O-CE 3.25Å; L657-M661 VanDerWaalsContact O-CG 3.29Å; L657-M661 WeakPolarHBondContact O-CG 3.45Å; L657-M661 PolarHBondContact O-N 3.23Å; F658-M661 HydrophobicContact CD1-CE 3.83Å; F658-M661 HydrophobicContact CE1-CE 4.16Å; F658-M661 HydrophobicContact CG-CE 4.33Å; F658-M661 PolarHBondContact O-N 2.86Å; F658-M661 VanDerWaalsContact O-N 3.14Å; Y659-M661 PolarHBondContact O-N 2.72Å |
| 662 | F | 70.3 | Confident | 60.3 | Low | 170 Ų | 170 | 113.9 Ų | 113.9 | 75% | 0.746 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -97.2 | -16.7 | 178.4 | -75.4 | -63.9 | 0 | 0 | 0 | 113.7 | F658 Y659 G664 | F658-F662 HydrophobicContact CB-CD2 4.45Å; F658-F662 HydrophobicContact CD1-CD2 4.13Å; F658-F662 AromaticContact CD1-CE2 3.71Å; F658-F662 HydrophobicContact CD1-CE2 3.71Å; F658-F662 HydrophobicContact CE1-CE2 4.27Å; F658-F662 WeakPolarHBondContact O-CB 3.34Å; F658-F662 WeakPolarHBondContact O-CD2 3.49Å; F658-F662 PolarHBondContact O-N 2.93Å; Y659-F662 PolarHBondContact O-N 2.68Å; F662-G664 PolarHBondContact O-N 3.37Å |
| 663 | Q | 61.3 | Low | 57.8 | Low | 100 Ų | 100 | 117.1 Ų | 117.1 | 47% | 0.467 | 61% | 0.611 | S | S | . | * | S | Bend | trans | -71.8 | 75.3 | 158.7 | -171.1 | 144.7 | 87.2 | 0 | 0 | 107.8 | Y659 | Y659-Q663 VanDerWaalsContact CZ-NE2 3.27Å; Y659-Q663 WeakPolarHBondContact O-CA 3.11Å; Y659-Q663 WeakPolarHBondContact O-CB 3.46Å; Y659-Q663 PolarHBondContact O-N 2.67Å; Y659-Q663 PolarHBondContact OH-NE2 3.3Å; Y659-Q663 PolarHBondContact OH-OE1 2.87Å |
| 664 | G | 43.3 | Very low | 55.4 | Low | 51 Ų | 51 | 120.9 Ų | 120.9 | 53% | 0.526 | 63% | 0.627 | S | S | . | * | | | trans | -50.3 | 143.2 | 157.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | F662 E666 | F662-G664 PolarHBondContact O-N 3.37Å; G664-E666 PolarHBondContact O-N 3.04Å |
| 665 | V | 41.4 | Very low | 52.9 | Low | 119 Ų | 119 | 118.5 Ų | 118.5 | 72% | 0.721 | 64% | 0.638 | S | S | * | * | | | trans | -72.9 | 91.1 | -167.8 | -176.8 | 0 | 0 | 0 | 0 | 109.5 | E667 | V665-E667 HydrophobicContact CG1-CB 3.84Å; V665-E667 HydrophobicContact CG1-CG 3.58Å; V665-E667 PolarHBondContact O-N 3.26Å |
| 666 | E | 39.9 | Very low | 50.5 | Low | 174 Ų | 174 | 122.1 Ų | 122.1 | 81% | 0.813 | 65% | 0.65 | S | S | * | * | | | trans | -72 | 56.4 | 163.5 | -68.6 | -173.3 | 179.6 | 0 | 0 | 109.9 | G664 I668 | G664-E666 PolarHBondContact O-N 3.04Å; E666-I668 PolarHBondContact O-N 2.96Å |
| 667 | E | 39.8 | Very low | 47.9 | Very low | 171 Ų | 171 | 130.8 Ų | 130.8 | 80% | 0.799 | 69% | 0.688 | S | S | * | * | | | trans | -72.8 | 81.6 | 158.5 | -84.8 | 179.3 | -156.5 | 0 | 0 | 107.4 | V665 E669 | V665-E667 HydrophobicContact CG1-CB 3.84Å; V665-E667 HydrophobicContact CG1-CG 3.58Å; V665-E667 PolarHBondContact O-N 3.26Å; E667-E669 PolarHBondContact O-N 2.71Å |
| 668 | I | 33.7 | Very low | 45.4 | Very low | 149 Ų | 149 | 135.2 Ų | 135.2 | 76% | 0.764 | 71% | 0.706 | S | S | * | * | | | trans | -52.2 | 125.3 | 168.4 | -63.8 | 168.2 | 0 | 0 | 0 | 107.4 | E666 | E666-I668 PolarHBondContact O-N 2.96Š|
| 669 | E | 31.3 | Very low | 42.8 | Very low | 165 Ų | 165 | 133.3 Ų | 133.3 | 77% | 0.771 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -51.1 | 136.6 | -171.7 | -56.7 | 164.9 | 107.4 | 0 | 0 | 112.7 | E667 | E667-E669 PolarHBondContact O-N 2.71Š|
| 670 | T | 33.3 | Very low | 40.3 | Very low | 136 Ų | 136 | 137.6 Ų | 137.6 | 83% | 0.834 | 73% | 0.733 | S | S | * | * | | | | 171.3 | 85.8 | 122.1 | 32.4 | 0 | 0 | 0 | 0 | 112.3 | | |
| 671 | T | 30.6 | Very low | 37.8 | Very low | 140 Ų | 140 | 136.3 Ų | 136.3 | 86% | 0.859 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -145.8 | 134 | 154.4 | -62.7 | 0 | 0 | 0 | 0 | 108.7 | | |
| 672 | T | 30.5 | Very low | 35.3 | Very low | 125 Ų | 125 | 137.2 Ų | 137.2 | 77% | 0.767 | 76% | 0.76 | S | S | * | * | | | trans | -80.7 | 130.9 | -157.8 | 44.8 | 0 | 0 | 0 | 0 | 114.4 | D674 | T672-D674 PolarHBondContact O-N 3.21Š|
| 673 | T | 30.3 | Very low | 33.2 | Very low | 127 Ų | 127 | 139.3 Ų | 139.3 | 78% | 0.779 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -80.2 | 69.6 | -175.7 | -44 | 0 | 0 | 0 | 0 | 113.5 | | |
| 674 | D | 31.8 | Very low | 31.4 | Very low | 157 Ų | 157 | 139.4 Ų | 139.4 | 84% | 0.84 | 78% | 0.776 | S | S | * | * | | | trans | -125.9 | -1.7 | 175.6 | -83.9 | -53.6 | 0 | 0 | 0 | 114.4 | T672 | T672-D674 PolarHBondContact O-N 3.21Š|
| 675 | G | 31.4 | Very low | 30.5 | Very low | 74 Ų | 74 | 142.1 Ų | 142.1 | 76% | 0.763 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -97.5 | -7.7 | -168.8 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 676 | I | 31.1 | Very low | 29.8 | Very low | 121 Ų | 121 | 141.8 Ų | 141.8 | 62% | 0.621 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -95.5 | -19.9 | -159.4 | -63.4 | 177.2 | 0 | 0 | 0 | 114 | | |
| 677 | F | 26.9 | Very low | 29 | Very low | 199 Ų | 199 | 139.8 Ų | 139.8 | 87% | 0.873 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -115.6 | 51.6 | -169.7 | -67.5 | -68.6 | 0 | 0 | 0 | 115.4 | | |
| 678 | Q | 28.3 | Very low | 28.5 | Very low | 196 Ų | 196 | 141.5 Ų | 141.5 | 92% | 0.916 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -140.9 | 14.1 | 162.6 | -146 | 166.5 | 13 | 0 | 0 | 115.3 | F680 | Q678-F680 PolarHBondContact O-N 2.98Š|
| 679 | A | 27.5 | Very low | 27.9 | Very low | 81 Ų | 81 | 142 Ų | 142 | 67% | 0.669 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -90.2 | 15.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 680 | F | 27.1 | Very low | 27.7 | Very low | 190 Ų | 190 | 142.6 Ų | 142.6 | 83% | 0.833 | 78% | 0.784 | S | S | * | * | | | trans | -139.6 | 87.9 | -176.6 | -68.1 | -71.5 | 0 | 0 | 0 | 113.6 | Q678 | Q678-F680 PolarHBondContact O-N 2.98Š|
| 681 | S | 26.6 | Very low | 27.4 | Very low | 113 Ų | 113 | 142.3 Ų | 142.3 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | | | trans | -164.4 | 102.4 | 161.2 | -81.5 | 0 | 0 | 0 | 0 | 111.2 | | |
| 682 | P | 25.5 | Very low | 27.2 | Very low | 123 Ų | 123 | 144.7 Ų | 144.7 | 80% | 0.799 | 77% | 0.772 | S | S | * | * | | | trans | -98.9 | 116.4 | -179.5 | 34.2 | -29.3 | 0 | 0 | 0 | 113.3 | | |
| 683 | Y | 25.8 | Very low | 27 | Very low | 214 Ų | 214 | 144 Ų | 144 | 84% | 0.839 | 77% | 0.773 | S | S | * | * | | | trans | -147.9 | 122.5 | 166.3 | -77.4 | -81.7 | 0 | 0 | 0 | 105.3 | | |
| 684 | S | 23.4 | Very low | 27 | Very low | 103 Ų | 103 | 143 Ų | 143 | 72% | 0.72 | 77% | 0.768 | S | S | * | * | | | cis | 118 | 140.3 | 35.7 | 61.2 | 0 | 0 | 0 | 0 | 108.8 | | |
| 685 | S | 24.8 | Very low | 26.6 | Very low | 107 Ų | 107 | 142.5 Ų | 142.5 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | | | trans | 109.8 | 105.7 | 154 | -158.5 | 0 | 0 | 0 | 0 | 120.3 | | |
| 686 | V | 26.3 | Very low | 26.3 | Very low | 112 Ų | 112 | 146.9 Ų | 146.9 | 68% | 0.679 | 76% | 0.759 | S | S | * | * | | | trans | 75.2 | 109.1 | 130.8 | 177.5 | 0 | 0 | 0 | 0 | 121.8 | | |
| 687 | D | 24 | Very low | 26 | Very low | 132 Ų | 132 | 147.2 Ų | 147.2 | 71% | 0.706 | 76% | 0.762 | S | S | * | * | | | trans | 35.6 | 138.8 | 131.2 | -53.7 | -60.6 | 0 | 0 | 0 | 124.2 | | |
| 688 | F | 28.3 | Very low | 26 | Very low | 207 Ų | 207 | 144.7 Ų | 144.7 | 91% | 0.908 | 76% | 0.758 | S | S | * | * | | | | -165.6 | 150.7 | 101.3 | -111.5 | -75.2 | 0 | 0 | 0 | 113.2 | | |
| 689 | Q | 22.2 | Very low | 25.9 | Very low | 159 Ų | 159 | 140.4 Ų | 140.4 | 74% | 0.743 | 75% | 0.745 | S | S | * | * | | | trans | -100.4 | 147.6 | 178.5 | -74.1 | -161.8 | 5.2 | 0 | 0 | 114.8 | | |
| 690 | K | 27 | Very low | 25.8 | Very low | 179 Ų | 179 | 143.7 Ų | 143.7 | 78% | 0.778 | 75% | 0.751 | S | S | * | * | | | | 179 | 124.3 | 122.6 | -97.3 | 178.4 | 175.9 | -177.5 | 0 | 109.6 | | |
| 691 | Q | 25.2 | Very low | 25.9 | Very low | 129 Ų | 129 | 143.6 Ų | 143.6 | 60% | 0.603 | 75% | 0.753 | S | S | * | * | | | | 52.7 | 105.5 | 85.4 | -64.6 | -178 | -22.7 | 0 | 0 | 114 | | |
| 692 | F | 26.4 | Very low | 25.8 | Very low | 190 Ų | 190 | 146.9 Ų | 146.9 | 83% | 0.833 | 76% | 0.756 | S | S | * | * | | | | -166.2 | 162.5 | 85 | -95.1 | -73.5 | 0 | 0 | 0 | 111.3 | | |
| 693 | S | 26.6 | Very low | 26.1 | Very low | 112 Ų | 112 | 149.3 Ų | 149.3 | 78% | 0.783 | 76% | 0.761 | S | S | * | * | | | trans | -110.7 | -152.1 | -176.7 | -52.6 | 0 | 0 | 0 | 0 | 111.1 | | |
| 694 | P | 30.4 | Very low | 26.1 | Very low | 104 Ų | 104 | 146 Ų | 146 | 68% | 0.675 | 76% | 0.758 | S | S | * | * | | | | -129 | -163.2 | -96.2 | 38.8 | -20.1 | 0 | 0 | 0 | 114.7 | | |
| 695 | E | 23.8 | Very low | 26.3 | Very low | 147 Ų | 147 | 151.4 Ų | 151.4 | 69% | 0.687 | 76% | 0.764 | S | S | * | * | | | trans | 91.6 | 145.9 | 144.3 | -123.4 | 68.3 | -125.9 | 0 | 0 | 122.6 | | |
| 696 | F | 25.1 | Very low | 26.4 | Very low | 166 Ų | 166 | 154.2 Ų | 154.2 | 73% | 0.728 | 77% | 0.765 | S | S | * | * | | | trans | 60.9 | 109.7 | 161.2 | -72.9 | -64.7 | 0 | 0 | 0 | 123.6 | | |
| 697 | N | 24.4 | Very low | 26.5 | Very low | 128 Ų | 128 | 155.4 Ų | 155.4 | 68% | 0.684 | 77% | 0.767 | S | S | * | * | | | | 40 | 136.6 | 116.9 | -63.6 | 14 | 0 | 0 | 0 | 120.7 | | |
| 698 | D | 28.1 | Very low | 26.7 | Very low | 147 Ų | 147 | 157.8 Ų | 157.8 | 79% | 0.786 | 77% | 0.774 | S | S | * | * | | | | -163.7 | 173.8 | 77.9 | -130.5 | -39.8 | 0 | 0 | 0 | 115.3 | | |
| 699 | T | 24.9 | Very low | 26.6 | Very low | 106 Ų | 106 | 152.1 Ų | 152.1 | 65% | 0.65 | 76% | 0.76 | S | S | * | * | | | trans | -101 | 145.8 | -172.1 | 51.6 | 0 | 0 | 0 | 0 | 113.6 | | |
| 700 | N | 25.1 | Very low | 26.8 | Very low | 149 Ų | 149 | 155.7 Ų | 155.7 | 80% | 0.797 | 77% | 0.768 | S | S | * | * | | | | 167.7 | 175.9 | 116.5 | -96.1 | -64.6 | 0 | 0 | 0 | 116.1 | | |
| 701 | E | 31 | Very low | 26.9 | Very low | 189 Ų | 189 | 150.4 Ų | 150.4 | 88% | 0.883 | 76% | 0.764 | S | S | * | * | | | trans | 91.1 | 106.6 | 161.1 | -53.6 | -139.6 | 149.4 | 0 | 0 | 118.9 | | |
| 702 | Q | 23.9 | Very low | 27 | Very low | 182 Ų | 182 | 151.8 Ų | 151.8 | 85% | 0.85 | 77% | 0.774 | S | S | * | * | | | trans | -77.1 | 158.8 | 174.1 | -60.1 | 159.7 | -47.7 | 0 | 0 | 111.4 | | |
| 703 | L | 30.8 | Very low | 27 | Very low | 173 Ų | 173 | 149.8 Ų | 149.8 | 91% | 0.906 | 77% | 0.772 | S | S | * | * | | | trans | -117.5 | 145 | 148.3 | -77.8 | 175.4 | 0 | 0 | 0 | 109.6 | | |
| 704 | N | 25.7 | Very low | 27.3 | Very low | 144 Ų | 144 | 151.9 Ų | 151.9 | 77% | 0.77 | 77% | 0.77 | S | S | * | * | | | trans | -126.2 | 133.2 | -165.6 | 179.8 | 1.8 | 0 | 0 | 0 | 110.4 | | |
| 705 | Y | 29.3 | Very low | 27 | Very low | 217 Ų | 217 | 152.1 Ų | 152.1 | 85% | 0.851 | 77% | 0.769 | S | S | * | * | | | trans | -128.9 | 112.5 | 173.7 | -84.9 | -78 | 0 | 0 | 0 | 111.8 | | |
| 706 | H | 26.7 | Very low | 27.2 | Very low | 167 Ų | 167 | 152.6 Ų | 152.6 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | | | trans | 4.8 | 114.9 | 144.3 | -136.6 | 71.4 | 0 | 0 | 0 | 116.1 | | |
| 707 | L | 27.2 | Very low | 27.3 | Very low | 136 Ų | 136 | 146 Ų | 146 | 71% | 0.712 | 74% | 0.743 | S | S | * | * | | | cis | 87.7 | 106.9 | 43.5 | -166.4 | 74.1 | 0 | 0 | 0 | 115.3 | | |
| 708 | H | 28.9 | Very low | 27.3 | Very low | 183 Ų | 183 | 143.8 Ų | 143.8 | 85% | 0.847 | 73% | 0.727 | S | S | * | * | | | trans | -142.9 | 164.3 | 149.3 | -86.6 | 28.1 | 0 | 0 | 0 | 105.5 | | |
| 709 | S | 25.4 | Very low | 27.1 | Very low | 88 Ų | 88 | 143.3 Ų | 143.3 | 62% | 0.615 | 72% | 0.719 | S | S | * | * | | | cis | 170.4 | 152.1 | -29.9 | -172.5 | 0 | 0 | 0 | 0 | 104.9 | | |
| 710 | Y | 27.4 | Very low | 27 | Very low | 234 Ų | 234 | 146 Ų | 146 | 92% | 0.918 | 72% | 0.724 | S | S | * | * | | | trans | 65.8 | 137.3 | -163.7 | -47.4 | -81.6 | 0 | 0 | 0 | 114.2 | | |
| 711 | G | 27.9 | Very low | 27 | Very low | 68 Ų | 68 | 144.2 Ų | 144.2 | 70% | 0.701 | 72% | 0.718 | S | S | * | * | | | cis | 172 | 132.3 | -13.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 712 | I | 28.7 | Very low | 26.8 | Very low | 158 Ų | 158 | 141.8 Ų | 141.8 | 81% | 0.81 | 71% | 0.712 | S | S | * | * | | | trans | 68.9 | 96.2 | 150.6 | -34.2 | -178.3 | 0 | 0 | 0 | 119.8 | | |
| 713 | D | 25.6 | Very low | 26.9 | Very low | 147 Ų | 147 | 138.2 Ų | 138.2 | 79% | 0.786 | 71% | 0.706 | S | S | * | * | | | trans | 61.1 | 149.4 | 132.3 | -58.6 | -39.5 | 0 | 0 | 0 | 127.5 | | |
| 714 | E | 32.7 | Very low | 26.6 | Very low | 157 Ų | 157 | 137.3 Ų | 137.3 | 73% | 0.734 | 70% | 0.702 | S | S | * | * | | | trans | 54.1 | 93.2 | 150.7 | -71.6 | -171.3 | -179.7 | 0 | 0 | 123.2 | | |
| 715 | T | 25.3 | Very low | 26.7 | Very low | 109 Ų | 109 | 135.4 Ų | 135.4 | 67% | 0.669 | 70% | 0.696 | S | S | * | * | | | | 20.6 | 101 | 104.3 | -41.3 | 0 | 0 | 0 | 0 | 117.4 | | |
| 716 | F | 27.3 | Very low | 26.5 | Very low | 156 Ų | 156 | 133 Ų | 133 | 68% | 0.684 | 69% | 0.692 | S | S | * | * | | | | -161.8 | 165.6 | 129.8 | -107.4 | -84 | 0 | 0 | 0 | 111.3 | Q72 | Q72-F716 HydrophobicContact CG-CB 4.17Å; Q72-F716 HydrophobicContact CG-CD1 3.64Å; Q72-F716 HydrophobicContact CG-CG 4.3Å |
| 717 | P | 26.2 | Very low | 26.5 | Very low | 27 Ų | 27 | 130.8 Ų | 130.8 | 18% | 0.175 | 69% | 0.687 | C | S | . | * | | | trans | -107.4 | -151.2 | -162.3 | -7.1 | 31.1 | 0 | 0 | 0 | 119.7 | L70 V71 Q72 | L70-P717 HydrophobicContact CB-CB 3.4Å; L70-P717 VanDerWaalsContact CB-CB 3.4Å; L70-P717 HydrophobicContact CB-CG 4.47Å; L70-P717 HydrophobicContact CD1-CB 3.84Å; L70-P717 HydrophobicContact CD1-CG 4.29Å; L70-P717 HydrophobicContact CG-CB 3.53Å; L70-P717 HydrophobicContact CG-CG 4.49Å; V71-P717 HydrophobicContact CB-CG 4.22Å; V71-P717 HydrophobicContact CG1-CG 3.69Å; Q72-P717 HydrophobicContact CB-CB 4.2Å; Q72-P717 HydrophobicContact CB-CG 4.43Å; Q72-P717 WeakPolarHBondContact CB-O 3.34Å; Q72-P717 VanDerWaalsContact CG-CD 3.5Å; Q72-P717 VanDerWaalsContact N-CB 3.34Å; Q72-P717 PolarHBondContact NE2-O 3.39Å; Q72-P717 VanDerWaalsContact NE2-O 3.12Å |
| 718 | K | 24.5 | Very low | 26.5 | Very low | 82 Ų | 82 | 132.8 Ų | 132.8 | 36% | 0.357 | 69% | 0.689 | S | S | . | * | | | cis | -157.8 | -176.9 | 22.4 | -147.2 | -177.1 | -176.5 | 147.2 | 0 | 117.3 | L70 V71 Q72 | L70-K718 WeakPolarHBondContact O-CG 3.44Å; V71-K718 VanDerWaalsContact CA-CG 3.45Å; V71-K718 VanDerWaalsContact O-CD 3.26Å; V71-K718 WeakPolarHBondContact O-CD 3.37Å; V71-K718 VanDerWaalsContact O-CE 3.32Å; V71-K718 WeakPolarHBondContact O-CE 3.4Å; V71-K718 PolarHBondContact O-NZ 2.94Å; Q72-K718 VanDerWaalsContact C-CD 3.45Å; Q72-K718 HydrophobicContact CB-CB 3.82Å; Q72-K718 VanDerWaalsContact N-CB 3.26Å; Q72-K718 VanDerWaalsContact N-CG 3.26Å; Q72-K718 WeakPolarHBondContact O-CB 3.41Å; Q72-K718 WeakPolarHBondContact O-CD 3.42Å; Q72-K718 VanDerWaalsContact O-CG 3.29Å; Q72-K718 WeakPolarHBondContact O-CG 3.23Å |
| 719 | F | 25.1 | Very low | 26.3 | Very low | 137 Ų | 137 | 134.6 Ų | 134.6 | 60% | 0.601 | 69% | 0.69 | S | S | * | * | | | trans | 21.2 | 138.1 | 133.9 | -85.4 | 6.1 | 0 | 0 | 0 | 117.9 | | |
| 720 | Q | 23 | Very low | 26.3 | Very low | 164 Ų | 164 | 135.7 Ų | 135.7 | 77% | 0.766 | 70% | 0.698 | S | S | * | * | | | trans | 64.9 | 132 | 147.1 | -65.2 | 172.5 | -9.2 | 0 | 0 | 115.6 | | |
| 721 | T | 24.9 | Very low | 26.4 | Very low | 110 Ų | 110 | 128 Ų | 128 | 68% | 0.675 | 69% | 0.689 | S | S | * | * | | | cis | -157.2 | 157.3 | 2.5 | -3.6 | 0 | 0 | 0 | 0 | 110.2 | | |
| 722 | N | 26.4 | Very low | 26.5 | Very low | 139 Ų | 139 | 132.7 Ų | 132.7 | 74% | 0.743 | 70% | 0.695 | S | S | * | * | | | trans | 44.3 | 111.1 | 147.3 | -57.7 | -11 | 0 | 0 | 0 | 120.7 | | |
| 723 | S | 26.4 | Very low | 26.7 | Very low | 106 Ų | 106 | 131.5 Ų | 131.5 | 74% | 0.741 | 69% | 0.69 | S | S | * | * | | | trans | 60.4 | 123.6 | 132.3 | 66.5 | 0 | 0 | 0 | 0 | 122.2 | | |
| 724 | N | 24.9 | Very low | 27.1 | Very low | 154 Ų | 154 | 131.9 Ų | 131.9 | 82% | 0.824 | 69% | 0.691 | S | S | * | * | | | trans | 67.3 | 140.7 | 144 | -102.5 | -15 | 0 | 0 | 0 | 117.9 | | |
| 725 | V | 26.7 | Very low | 26.8 | Very low | 105 Ų | 105 | 128.8 Ų | 128.8 | 64% | 0.636 | 69% | 0.687 | S | S | * | * | | | cis | -150.9 | 142.6 | 10.4 | -160.5 | 0 | 0 | 0 | 0 | 110.2 | | |
| 726 | Q | 25.6 | Very low | 27 | Very low | 165 Ų | 165 | 129.5 Ų | 129.5 | 77% | 0.771 | 69% | 0.691 | S | S | * | * | | | trans | 53.4 | 135 | 150.2 | -83.1 | 176.1 | 18.8 | 0 | 0 | 125 | | |
| 727 | N | 27.5 | Very low | 27.1 | Very low | 122 Ų | 122 | 128.6 Ų | 128.6 | 65% | 0.652 | 69% | 0.693 | S | S | * | * | | | | 101.1 | 132.9 | 124.6 | -96 | -45.1 | 0 | 0 | 0 | 124.9 | | |
| 728 | K | 25.7 | Very low | 27.4 | Very low | 177 Ų | 177 | 134.3 Ų | 134.3 | 77% | 0.77 | 72% | 0.722 | S | S | * | * | | | trans | 84.6 | 166.1 | 147.4 | -71.8 | 175 | -179.4 | -179.8 | 0 | 120.9 | | |
| 729 | Y | 24.9 | Very low | 27.8 | Very low | 222 Ų | 222 | 138.9 Ų | 138.9 | 87% | 0.871 | 75% | 0.745 | S | S | * | * | | | trans | 76.1 | 145.4 | -164.1 | -67.6 | -92.3 | 0 | 0 | 0 | 115.9 | | |
| 730 | S | 26.3 | Very low | 28.2 | Very low | 110 Ų | 110 | 141.2 Ų | 141.2 | 77% | 0.769 | 76% | 0.758 | S | S | * | * | | | cis | -177.1 | 149.8 | -32.7 | -106 | 0 | 0 | 0 | 0 | 110.3 | | |
| 731 | G | 30 | Very low | 28.3 | Very low | 72 Ų | 72 | 139.7 Ų | 139.7 | 74% | 0.742 | 76% | 0.759 | S | S | * | * | | | trans | 150.5 | 117.5 | 155 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 732 | M | 29.1 | Very low | 28.5 | Very low | 168 Ų | 168 | 138.8 Ų | 138.8 | 83% | 0.828 | 76% | 0.756 | S | S | * | * | | | trans | 69.2 | 116.6 | 130.8 | -156.5 | 177.7 | 68.7 | 0 | 0 | 121.9 | | |
| 733 | L | 32.6 | Very low | 28.5 | Very low | 133 Ų | 133 | 141.7 Ų | 141.7 | 70% | 0.696 | 76% | 0.758 | S | S | * | * | | | | 160.2 | 132.2 | 121.6 | -83.2 | 173.6 | 0 | 0 | 0 | 113.1 | | |
| 734 | L | 34.3 | Very low | 28.5 | Very low | 154 Ų | 154 | 143 Ų | 143 | 81% | 0.806 | 75% | 0.752 | S | S | * | * | | | trans | 43.8 | 156.7 | 141.6 | -54.5 | 172.8 | 0 | 0 | 0 | 122.9 | | |
| 735 | S | 26.8 | Very low | 28.9 | Very low | 92 Ų | 92 | 141.6 Ų | 141.6 | 64% | 0.643 | 74% | 0.744 | S | S | * | * | | | cis | -178.2 | 119.7 | -26.6 | 179 | 0 | 0 | 0 | 0 | 112.5 | | |
| 736 | V | 28.9 | Very low | 29 | Very low | 124 Ų | 124 | 144 Ų | 144 | 75% | 0.752 | 75% | 0.753 | S | S | * | * | | | trans | 75.2 | 150.4 | 145.5 | 171.7 | 0 | 0 | 0 | 0 | 121.2 | | |
| 737 | D | 28.8 | Very low | 29.5 | Very low | 138 Ų | 138 | 142 Ų | 142 | 74% | 0.738 | 75% | 0.754 | S | S | * | * | | | trans | 75.5 | 99.6 | 169.7 | -64.6 | -14.5 | 0 | 0 | 0 | 123.1 | | |
| 738 | D | 32.2 | Very low | 29.5 | Very low | 147 Ų | 147 | 140 Ų | 140 | 79% | 0.786 | 75% | 0.75 | S | S | * | * | | | | 65.2 | 134.2 | 123.6 | -68.4 | 3.9 | 0 | 0 | 0 | 127.1 | | |
| 739 | E | 34 | Very low | 29.7 | Very low | 178 Ų | 178 | 139.1 Ų | 139.1 | 83% | 0.832 | 75% | 0.748 | S | S | * | * | | | trans | 79.1 | 152.3 | 155.9 | -71.6 | -61.6 | 163.3 | 0 | 0 | 123.6 | | |
| 740 | E | 32.5 | Very low | 29.7 | Very low | 186 Ų | 186 | 138 Ų | 138 | 87% | 0.869 | 75% | 0.75 | S | S | * | * | | | trans | 56.5 | 59.7 | -178.7 | -65.3 | -152.1 | 150.2 | 0 | 0 | 119.1 | | |
| 741 | T | 27 | Very low | 29.7 | Very low | 131 Ų | 131 | 136.6 Ų | 136.6 | 80% | 0.804 | 74% | 0.741 | S | S | * | * | | | trans | -65.6 | 156.9 | 138.6 | 57 | 0 | 0 | 0 | 0 | 110.5 | | |
| 742 | P | 28.6 | Very low | 29.6 | Very low | 92 Ų | 92 | 140.5 Ų | 140.5 | 60% | 0.597 | 75% | 0.745 | S | S | * | * | | | cis | -151 | 177.3 | 35.2 | 45.2 | -25.5 | 0 | 0 | 0 | 119.2 | | |
| 743 | Y | 25 | Very low | 29.3 | Very low | 199 Ų | 199 | 138.4 Ų | 138.4 | 78% | 0.78 | 74% | 0.736 | S | S | * | * | | | trans | 73.8 | 134.6 | 152.2 | -61.5 | -26.1 | 0 | 0 | 0 | 119 | | |
| 744 | Q | 27.9 | Very low | 28.8 | Very low | 133 Ų | 133 | 139.3 Ų | 139.3 | 62% | 0.621 | 75% | 0.747 | S | S | * | * | | | cis | -157.5 | 165 | -6.2 | -130.9 | 170.7 | -60.1 | 0 | 0 | 114.7 | | |
| 745 | D | 32.9 | Very low | 28.2 | Very low | 125 Ų | 125 | 136.3 Ų | 136.3 | 67% | 0.668 | 74% | 0.736 | S | S | * | * | | | trans | 61.7 | 100.3 | 154.2 | -58.8 | -28.5 | 0 | 0 | 0 | 119.5 | | |
| 746 | L | 29.3 | Very low | 28 | Very low | 156 Ų | 156 | 138.5 Ų | 138.5 | 82% | 0.817 | 74% | 0.739 | S | S | * | * | | | trans | -57.2 | 153.3 | 131.6 | -63.3 | 84.3 | 0 | 0 | 0 | 108.3 | | |
| 747 | P | 34.5 | Very low | 27.6 | Very low | 122 Ų | 122 | 137.3 Ų | 137.3 | 79% | 0.792 | 74% | 0.736 | S | S | * | * | | | | -127.1 | 129.1 | 106.4 | 1.6 | 18.4 | 0 | 0 | 0 | 112.7 | | |
| 748 | S | 28.5 | Very low | 27.4 | Very low | 82 Ų | 82 | 136.7 Ų | 136.7 | 57% | 0.573 | 74% | 0.737 | S | S | * | * | | | trans | -61.7 | 139.1 | 141.3 | 52.2 | 0 | 0 | 0 | 0 | 109 | | |
| 749 | H | 29.5 | Very low | 26.8 | Very low | 158 Ų | 158 | 132.6 Ų | 132.6 | 73% | 0.731 | 72% | 0.72 | S | S | * | * | | | | -168.9 | 119.3 | 120.7 | -104.1 | -69.2 | 0 | 0 | 0 | 112.2 | S751 | H749-S751 PolarHBondContact O-N 3.28Š|
| 750 | H | 24.9 | Very low | 26.3 | Very low | 197 Ų | 197 | 131 Ų | 131 | 91% | 0.912 | 72% | 0.717 | S | S | * | * | | | trans | -69.5 | 105.4 | 142 | -83.4 | -95 | 0 | 0 | 0 | 107 | | |
| 751 | S | 27 | Very low | 25.7 | Very low | 81 Ų | 81 | 127 Ų | 127 | 57% | 0.566 | 71% | 0.71 | S | S | * | * | | | trans | -170.7 | 46.8 | 158.3 | 59.8 | 0 | 0 | 0 | 0 | 112.6 | H749 | H749-S751 PolarHBondContact O-N 3.28Š|
| 752 | D | 28.4 | Very low | 25.6 | Very low | 155 Ų | 155 | 132.1 Ų | 132.1 | 83% | 0.829 | 72% | 0.715 | S | S | * | * | | | trans | -130.9 | 96.7 | 151.1 | -107 | -36 | 0 | 0 | 0 | 110.9 | | |
| 753 | L | 21.6 | Very low | 25.4 | Very low | 123 Ų | 123 | 133.1 Ų | 133.1 | 64% | 0.644 | 72% | 0.719 | S | S | * | * | | | trans | -5.2 | 133 | 135.4 | -75.9 | 54.4 | 0 | 0 | 0 | 114.9 | T755 | L753-T755 PolarHBondContact O-N 3.44Š|
| 754 | T | 23.2 | Very low | 25.3 | Very low | 152 Ų | 152 | 131.3 Ų | 131.3 | 93% | 0.933 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -70.4 | 72.5 | 156.6 | 50.8 | 0 | 0 | 0 | 0 | 109.7 | | |
| 755 | T | 20.3 | Very low | 25.1 | Very low | 92 Ų | 92 | 128.8 Ų | 128.8 | 56% | 0.564 | 72% | 0.724 | S | S | * | * | | | trans | -141.7 | 95.2 | -175.8 | -67.3 | 0 | 0 | 0 | 0 | 107.7 | L753 | L753-T755 PolarHBondContact O-N 3.44Š|
| 756 | I | 22.6 | Very low | 24.6 | Very low | 138 Ų | 138 | 128.6 Ų | 128.6 | 71% | 0.708 | 73% | 0.727 | S | S | * | * | | | | -137.7 | 132.7 | 66 | -84.5 | 156.1 | 0 | 0 | 0 | 112.2 | T758 | I756-T758 HydrophobicContact CG2-CG2 4.14Å; I756-T758 PolarHBondContact O-N 2.92Å |
| 757 | S | 20 | Very low | 24.6 | Very low | 99 Ų | 99 | 130.6 Ų | 130.6 | 69% | 0.692 | 73% | 0.73 | S | S | * | * | | | trans | -80.4 | 92.6 | 166.4 | -153.1 | 0 | 0 | 0 | 0 | 109.6 | S759 | S757-S759 VanDerWaalsContact C-OG 3.3Å; S757-S759 VanDerWaalsContact O-CB 3.26Å; S757-S759 WeakPolarHBondContact O-CB 3.38Å; S757-S759 PolarHBondContact O-OG 3.19Å; S757-S759 WeakPolarHBondContact OG-CB 3.2Å |
| 758 | T | 24.6 | Very low | 24.2 | Very low | 124 Ų | 124 | 130.7 Ų | 130.7 | 76% | 0.761 | 73% | 0.728 | S | S | * | * | | | trans | -121.9 | 76.9 | 156.3 | 32.4 | 0 | 0 | 0 | 0 | 108.2 | I756 | I756-T758 HydrophobicContact CG2-CG2 4.14Å; I756-T758 PolarHBondContact O-N 2.92Å |
| 759 | S | 19.7 | Very low | 24.3 | Very low | 62 Ų | 62 | 132.7 Ų | 132.7 | 43% | 0.434 | 74% | 0.739 | S | S | . | * | | | cis | 52.7 | 117.7 | 40 | 110.9 | 0 | 0 | 0 | 0 | 112.3 | S757 | S757-S759 VanDerWaalsContact C-OG 3.3Å; S757-S759 VanDerWaalsContact O-CB 3.26Å; S757-S759 WeakPolarHBondContact O-CB 3.38Å; S757-S759 PolarHBondContact O-OG 3.19Å; S757-S759 WeakPolarHBondContact OG-CB 3.2Å |
| 760 | N | 23.6 | Very low | 24.1 | Very low | 143 Ų | 143 | 130.5 Ų | 130.5 | 77% | 0.765 | 74% | 0.737 | S | S | * | * | | | trans | 44.1 | 84.3 | 158.7 | -52 | -39.2 | 0 | 0 | 0 | 115.8 | | |
| 761 | S | 20.8 | Very low | 24.4 | Very low | 103 Ų | 103 | 131.2 Ų | 131.2 | 72% | 0.72 | 73% | 0.733 | S | S | * | * | | | | -163.3 | 140 | 77.3 | 29.8 | 0 | 0 | 0 | 0 | 112 | | |
| 762 | R | 24.4 | Very low | 24.4 | Very low | 239 Ų | 239 | 131.3 Ų | 131.3 | 90% | 0.902 | 73% | 0.727 | S | S | * | * | | | cis | 74.4 | 46 | 32.8 | -155.8 | -155.9 | -174.1 | -147.3 | 4.5 | 114.3 | | |
| 763 | T | 24.4 | Very low | 24.3 | Very low | 113 Ų | 113 | 128.6 Ų | 128.6 | 69% | 0.693 | 72% | 0.719 | S | S | * | * | | | trans | -154.1 | 173.9 | 170.3 | -4.8 | 0 | 0 | 0 | 0 | 111.6 | | |
| 764 | L | 23.2 | Very low | 24.6 | Very low | 161 Ų | 161 | 130.5 Ų | 130.5 | 84% | 0.843 | 72% | 0.723 | S | S | * | * | | | trans | 60.2 | 59.5 | 169.6 | -91.1 | 62.1 | 0 | 0 | 0 | 116.1 | | |
| 765 | A | 23 | Very low | 24.5 | Very low | 79 Ų | 79 | 127.3 Ų | 127.3 | 65% | 0.653 | 71% | 0.705 | S | S | * | * | | | trans | -46.7 | 163.9 | 131.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 766 | T | 22.9 | Very low | 24.7 | Very low | 121 Ų | 121 | 132.1 Ų | 132.1 | 74% | 0.742 | 72% | 0.715 | S | S | * | * | | | trans | 68.3 | 115.5 | 169.6 | 70.7 | 0 | 0 | 0 | 0 | 118 | | |
| 767 | K | 29 | Very low | 24.8 | Very low | 199 Ų | 199 | 133.3 Ų | 133.3 | 87% | 0.865 | 72% | 0.715 | S | S | * | * | | | | -159.1 | 97.3 | 105.2 | -103.9 | 158.2 | -172.4 | 171 | 0 | 112.1 | P769 | K767-P769 WeakPolarHBondContact O-CD 3.36Š|
| 768 | T | 26.4 | Very low | 25.1 | Very low | 123 Ų | 123 | 133.5 Ų | 133.5 | 76% | 0.755 | 71% | 0.708 | S | S | * | * | | | trans | -62.3 | 132.1 | 164.7 | 27.6 | 0 | 0 | 0 | 0 | 111.2 | V770 | T768-V770 VanDerWaalsContact C-N 3.34Å; T768-V770 PolarHBondContact O-N 3.13Å |
| 769 | P | 31.5 | Very low | 25.1 | Very low | 124 Ų | 124 | 134.8 Ų | 134.8 | 81% | 0.805 | 71% | 0.705 | S | S | * | * | | | trans | -83.6 | 88.9 | 142.2 | 31.9 | -28.3 | 0 | 0 | 0 | 108.2 | K767 Y771 | K767-P769 WeakPolarHBondContact O-CD 3.36Å; P769-Y771 PolarHBondContact O-N 3.47Å; P769-Y771 VanDerWaalsContact O-N 3.1Å |
| 770 | V | 25.5 | Very low | 25.6 | Very low | 113 Ų | 113 | 139.9 Ų | 139.9 | 69% | 0.685 | 73% | 0.726 | S | S | * | * | | | trans | 7.5 | 95.4 | 133.8 | -173.3 | 0 | 0 | 0 | 0 | 114.4 | T768 | T768-V770 VanDerWaalsContact C-N 3.34Å; T768-V770 PolarHBondContact O-N 3.13Å |
| 771 | Y | 31.1 | Very low | 25.7 | Very low | 212 Ų | 212 | 137.6 Ų | 137.6 | 83% | 0.831 | 72% | 0.719 | S | S | * | * | | | | -120 | 106.4 | 124.3 | -130.7 | -107.2 | 0 | 0 | 0 | 108.9 | P769 | P769-Y771 PolarHBondContact O-N 3.47Å; P769-Y771 VanDerWaalsContact O-N 3.1Å |
| 772 | L | 26.4 | Very low | 25.8 | Very low | 83 Ų | 83 | 137.8 Ų | 137.8 | 44% | 0.435 | 72% | 0.716 | S | S | . | * | | | trans | 31.3 | 114.7 | 139.7 | -69 | 160.8 | 0 | 0 | 0 | 115.3 | | |
| 773 | S | 25.4 | Very low | 25.6 | Very low | 97 Ų | 97 | 131.8 Ų | 131.8 | 68% | 0.678 | 71% | 0.71 | S | S | * | * | | | | 47.8 | 123.2 | 80.5 | -51.9 | 0 | 0 | 0 | 0 | 111.4 | | |
| 774 | K | 28 | Very low | 25.6 | Very low | 164 Ų | 164 | 134.1 Ų | 134.1 | 71% | 0.713 | 71% | 0.714 | S | S | * | * | | | | -148.3 | 144.5 | 74 | -117.9 | 94 | 173 | -170.1 | 0 | 113.3 | | |
| 775 | C | 22.1 | Very low | 25.7 | Very low | 84 Ų | 84 | 130.7 Ų | 130.7 | 57% | 0.568 | 70% | 0.699 | S | S | * | * | | | trans | 60.8 | 99.1 | 135.9 | -65.9 | 0 | 0 | 0 | 0 | 117.4 | | |
| 776 | Y | 23.8 | Very low | 25.8 | Very low | 194 Ų | 194 | 134.7 Ų | 134.7 | 76% | 0.761 | 70% | 0.704 | S | S | * | * | | | | 80.3 | 135.5 | 104.4 | -74.2 | -39.2 | 0 | 0 | 0 | 118 | | |
| 777 | K | 25 | Very low | 26.2 | Very low | 162 Ų | 162 | 135.6 Ų | 135.6 | 70% | 0.704 | 71% | 0.705 | S | S | * | * | | | trans | 71.9 | 127.1 | 132.6 | -67.3 | 178.2 | 175.7 | -163.6 | 0 | 116.5 | | |
| 778 | N | 26.2 | Very low | 26.1 | Very low | 104 Ų | 104 | 133 Ų | 133 | 56% | 0.556 | 70% | 0.699 | S | S | * | * | | | cis | -157.1 | 163.7 | -2.1 | -129.4 | 10.9 | 0 | 0 | 0 | 114.4 | | |
| 779 | E | 23.9 | Very low | 26.4 | Very low | 151 Ų | 151 | 133.3 Ų | 133.3 | 71% | 0.706 | 70% | 0.7 | S | S | * | * | | | | 8.3 | 115.4 | 124.7 | -58.1 | 165.5 | 159.4 | 0 | 0 | 113.9 | | |
| 780 | I | 31 | Very low | 26.1 | Very low | 169 Ų | 169 | 137 Ų | 137 | 87% | 0.867 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -37 | 123.1 | 154.5 | -51.1 | 153.3 | 0 | 0 | 0 | 107.7 | | |
| 781 | P | 25.8 | Very low | 26.1 | Very low | 94 Ų | 94 | 136.2 Ų | 136.2 | 61% | 0.61 | 70% | 0.703 | S | S | * | * | | | cis | -127.4 | -170.7 | 32 | 45.7 | -30.3 | 0 | 0 | 0 | 112.1 | | |
| 782 | T | 22.2 | Very low | 25.8 | Very low | 108 Ų | 108 | 131 Ų | 131 | 66% | 0.663 | 70% | 0.698 | S | S | * | * | | | | -154.5 | 112.3 | 78.6 | -60.7 | 0 | 0 | 0 | 0 | 110.5 | Q784 | T782-Q784 HydrophobicContact CG2-CB 4.11Å; T782-Q784 PolarHBondContact O-N 2.9Å |
| 783 | S | 21.8 | Very low | 25.8 | Very low | 112 Ų | 112 | 133.9 Ų | 133.9 | 78% | 0.783 | 72% | 0.719 | S | S | * | * | | | trans | -64.5 | 74.1 | 162.1 | 42.5 | 0 | 0 | 0 | 0 | 110.4 | T785 | S783-T785 PolarHBondContact O-N 3.43Š|
| 784 | Q | 23.7 | Very low | 26.2 | Very low | 163 Ų | 163 | 134.8 Ų | 134.8 | 76% | 0.762 | 72% | 0.72 | S | S | * | * | | | trans | -80.4 | 76.8 | 177.5 | -162.8 | 144.9 | 18.5 | 0 | 0 | 111.7 | T782 | T782-Q784 HydrophobicContact CG2-CB 4.11Å; T782-Q784 PolarHBondContact O-N 2.9Å |
| 785 | T | 25.5 | Very low | 26.1 | Very low | 89 Ų | 89 | 131.8 Ų | 131.8 | 55% | 0.546 | 72% | 0.72 | S | S | . | * | | | | 71.9 | 99.3 | 127.4 | -55.7 | 0 | 0 | 0 | 0 | 116.5 | S783 | S783-T785 PolarHBondContact O-N 3.43Š|
| 786 | Q | 24.2 | Very low | 26.4 | Very low | 162 Ų | 162 | 134.6 Ų | 134.6 | 76% | 0.757 | 73% | 0.729 | S | S | * | * | | | | 46.5 | 108.8 | 125.9 | -54.8 | 161.7 | 2.3 | 0 | 0 | 116.2 | | |
| 787 | N | 31 | Very low | 26.4 | Very low | 141 Ų | 141 | 129.5 Ų | 129.5 | 75% | 0.754 | 72% | 0.722 | S | S | * | * | | | | -153 | 115.9 | 99.2 | -96.7 | -42.9 | 0 | 0 | 0 | 113.4 | | |
| 788 | I | 28.6 | Very low | 26.3 | Very low | 144 Ų | 144 | 126.6 Ų | 126.6 | 74% | 0.738 | 71% | 0.709 | S | S | * | * | | | trans | 60.6 | 100.7 | 134.1 | -58.4 | 171.8 | 0 | 0 | 0 | 116.7 | | |
| 789 | V | 32 | Very low | 26.3 | Very low | 130 Ų | 130 | 125.8 Ų | 125.8 | 79% | 0.788 | 71% | 0.708 | S | S | * | * | | | trans | 64.8 | 70.2 | 153.1 | -165.5 | 0 | 0 | 0 | 0 | 115.7 | | |
| 790 | K | 25.3 | Very low | 26.3 | Very low | 202 Ų | 202 | 125.1 Ų | 125.1 | 88% | 0.878 | 70% | 0.704 | S | S | * | * | S | Bend | | -92.2 | 110.8 | 121.9 | -83.9 | -173.1 | 176.4 | 179.8 | 0 | 109.7 | | |
| 791 | S | 25.4 | Very low | 26 | Very low | 96 Ų | 96 | 120.9 Ų | 120.9 | 67% | 0.671 | 69% | 0.689 | S | S | * | * | | | | 63.8 | 66.4 | 125.2 | -48.8 | 0 | 0 | 0 | 0 | 118.1 | T793 | S791-T793 PolarHBondContact O-N 3.1Š|
| 792 | S | 23.7 | Very low | 26.1 | Very low | 103 Ų | 103 | 120.8 Ų | 120.8 | 72% | 0.72 | 69% | 0.687 | S | S | * | * | | | trans | -72.2 | 85.6 | 161.2 | 56.8 | 0 | 0 | 0 | 0 | 111.3 | V794 | S792-V794 PolarHBondContact O-N 3.47Š|
| 793 | T | 28.1 | Very low | 26.4 | Very low | 143 Ų | 143 | 120.5 Ų | 120.5 | 88% | 0.877 | 69% | 0.685 | S | S | * | * | | | trans | -75.6 | 98.4 | 151.3 | -53.6 | 0 | 0 | 0 | 0 | 105.4 | S791 S795 | S791-T793 PolarHBondContact O-N 3.1Å; T793-S795 PolarHBondContact O-N 3.27Å |
| 794 | V | 33 | Very low | 26.7 | Very low | 115 Ų | 115 | 118.7 Ų | 118.7 | 70% | 0.697 | 67% | 0.667 | S | S | * | * | | | trans | -68.6 | 117.9 | -162 | 176.1 | 0 | 0 | 0 | 0 | 111.5 | S792 N796 | S792-V794 PolarHBondContact O-N 3.47Å; V794-N796 PolarHBondContact O-N 3.26Å |
| 795 | S | 25.4 | Very low | 27.1 | Very low | 102 Ų | 102 | 117.7 Ų | 117.7 | 71% | 0.713 | 66% | 0.662 | S | S | * | * | | | trans | -74.6 | 96.5 | 165 | 56.9 | 0 | 0 | 0 | 0 | 110.3 | T793 | T793-S795 PolarHBondContact O-N 3.27Š|
| 796 | N | 27.9 | Very low | 27.3 | Very low | 143 Ų | 143 | 117.3 Ų | 117.3 | 77% | 0.765 | 66% | 0.656 | S | S | * | * | | | trans | -82.3 | 123.5 | 136.7 | -89.8 | -17.7 | 0 | 0 | 0 | 105.7 | V794 | V794-N796 PolarHBondContact O-N 3.26Š|
| 797 | S | 24.4 | Very low | 27.6 | Very low | 86 Ų | 86 | 116 Ų | 116 | 60% | 0.601 | 66% | 0.655 | S | S | * | * | | | cis | 67.7 | 116.9 | 32.5 | 114.1 | 0 | 0 | 0 | 0 | 112.7 | | |
| 798 | K | 23.2 | Very low | 27.5 | Very low | 102 Ų | 102 | 116.7 Ų | 116.7 | 44% | 0.443 | 66% | 0.659 | S | S | . | * | | | trans | 50.3 | 82.2 | 149.1 | -165.5 | -173.7 | 132.6 | 144.1 | 0 | 116.5 | S27 C28 N29 | S27-K798 PolarHBondContact OG-NZ 3.37Å; C28-K798 WeakPolarHBondContact O-CE 3.41Å; C28-K798 PolarHBondContact O-NZ 3.39Å; N29-K798 HydrophobicContact CB-CG 4.37Å; N29-K798 WeakPolarHBondContact ND2-CE 3.27Å; N29-K798 PolarHBondContact ND2-O 2.95Å |
| 799 | V | 26.9 | Very low | 27.5 | Very low | 87 Ų | 87 | 113.7 Ų | 113.7 | 53% | 0.527 | 66% | 0.655 | S | S | . | * | | | | -128.3 | 131.2 | 118.9 | -160 | 0 | 0 | 0 | 0 | 106.2 | N29 E31 | N29-V799 HydrophobicContact CB-CB 4.32Å; N29-V799 HydrophobicContact CB-CG1 3.74Å; E31-V799 HydrophobicContact CG-CG1 4.44Å |
| 800 | H | 22.3 | Very low | 27.5 | Very low | 136 Ų | 136 | 112.9 Ų | 112.9 | 63% | 0.63 | 65% | 0.651 | S | S | * | * | | | trans | -94.7 | -169.8 | 168.2 | -178.4 | -83.9 | 0 | 0 | 0 | 107.9 | N29 S30 E31 | N29-H800 CarbonylContact O-C 3.23Å; N29-H800 WeakPolarHBondContact O-CB 3.2Å; N29-H800 PolarHBondContact O-N 3.28Å; S30-H800 CarbonylContact C-O 3.57Å; S30-H800 WeakPolarHBondContact CA-O 3.31Å; E31-H800 PolarHBondContact N-O 2.8Å; E31-H800 VanDerWaalsContact N-O 3.16Å |
| 801 | C | 25.6 | Very low | 27.6 | Very low | 81 Ų | 81 | 110.2 Ų | 110.2 | 55% | 0.547 | 64% | 0.643 | S | S | . | * | S | Bend | trans | -129.4 | 101.5 | -162.1 | -56.9 | 0 | 0 | 0 | 0 | 117.1 | S30 E31 | S30-C801 VanDerWaalsContact OG-C 3.27Å; E31-C801 CarbonylContact O-C 3.45Å; E31-C801 WeakPolarHBondContact O-CA 3.31Å; E31-C801 WeakPolarHBondContact O-CB 3.33Å |
| 802 | T | 27 | Very low | 27.7 | Very low | 91 Ų | 91 | 111 Ų | 111 | 56% | 0.558 | 64% | 0.64 | S | S | * | * | | | trans | -166.6 | 35 | 166.9 | 76.4 | 0 | 0 | 0 | 0 | 119.1 | S30 E31 I32 | S30-T802 VanDerWaalsContact CA-N 3.29Å; S30-T802 WeakPolarHBondContact CB-OG1 3.23Å; S30-T802 CarbonylContact O-C 3.51Å; S30-T802 WeakPolarHBondContact OG-CB 3.28Å; S30-T802 PolarHBondContact OG-N 3.3Å; S30-T802 PolarHBondContact OG-OG1 2.9Å; E31-T802 PolarHBondContact O-N 3.4Å; I32-T802 WeakPolarHBondContact CG1-O 3.37Å |
| 803 | T | 29.2 | Very low | 28.1 | Very low | 102 Ų | 102 | 111.4 Ų | 111.4 | 63% | 0.626 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -134.7 | 123.7 | 163.3 | -39.9 | 0 | 0 | 0 | 0 | 113.4 | S30 E31 I32 | S30-T803 VanDerWaalsContact C-N 3.35Å; S30-T803 WeakPolarHBondContact O-CB 3.12Å; S30-T803 PolarHBondContact O-N 3.48Å; S30-T803 PolarHBondContact O-OG1 3.35Å; E31-T803 CarbonylContact C-O 3.53Å; E31-T803 VanDerWaalsContact C-O 3.28Å; E31-T803 WeakPolarHBondContact CA-O 3.41Å; I32-T803 VanDerWaalsContact CG1-N 3.28Å; I32-T803 PolarHBondContact N-O 3.02Å |
| 804 | N | 28.7 | Very low | 28.4 | Very low | 75 Ų | 75 | 110.3 Ų | 110.3 | 40% | 0.401 | 63% | 0.633 | S | S | . | * | | | trans | -75.3 | 166.3 | -144.6 | -149.3 | 22 | 0 | 0 | 0 | 120.9 | I32 | I32-N804 HydrophobicContact CB-CB 4.12Å; I32-N804 WeakPolarHBondContact CB-OD1 3.39Å; I32-N804 HydrophobicContact CD1-CB 3.88Å; I32-N804 HydrophobicContact CG1-CB 4.1Å; I32-N804 CarbonylContact O-C 2.84Å; I32-N804 VanDerWaalsContact O-C 3.31Å; I32-N804 WeakPolarHBondContact O-CA 3.38Å; I32-N804 PolarHBondContact O-OD1 3.08Å |
| 805 | E | 31.7 | Very low | 28.4 | Very low | 141 Ų | 141 | 112.1 Ų | 112.1 | 66% | 0.659 | 64% | 0.638 | S | S | * | * | | | trans | 80.8 | 152 | 156.1 | -71.3 | 132.7 | -133.7 | 0 | 0 | 120.2 | I32 | I32-E805 PolarHBondContact O-N 3.28Š|
| 806 | N | 29.7 | Very low | 28.5 | Very low | 81 Ų | 81 | 117.7 Ų | 117.7 | 43% | 0.433 | 65% | 0.65 | S | S | . | * | | | cis | -172.7 | 163.7 | -38.8 | -133.2 | 44.5 | 0 | 0 | 0 | 107.4 | I33 | I33-N806 VanDerWaalsContact CG1-OD1 3.3Å; I33-N806 WeakPolarHBondContact CG1-OD1 3.44Å; I33-N806 WeakPolarHBondContact CG2-OD1 3.47Å |
| 807 | D | 31.3 | Very low | 28.7 | Very low | 134 Ų | 134 | 115.2 Ų | 115.2 | 72% | 0.717 | 64% | 0.643 | S | S | * | * | | | trans | 46.2 | 98.7 | 157.4 | -44.8 | -35.8 | 0 | 0 | 0 | 118.3 | | |
| 808 | D | 27.6 | Very low | 28.9 | Very low | 157 Ų | 157 | 119.7 Ų | 119.7 | 84% | 0.84 | 66% | 0.657 | S | S | * | * | | | | 79.9 | 116.6 | 77.6 | -171.8 | 29.5 | 0 | 0 | 0 | 115.1 | | |
| 809 | A | 29.5 | Very low | 29.2 | Very low | 81 Ų | 81 | 121.3 Ų | 121.3 | 67% | 0.669 | 67% | 0.671 | S | S | * | * | | | trans | -179.9 | 129.4 | 148.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 810 | T | 30.8 | Very low | 29.2 | Very low | 113 Ų | 113 | 123.7 Ų | 123.7 | 69% | 0.693 | 68% | 0.68 | S | S | * | * | | | trans | 56 | 98.6 | 147.2 | 51.9 | 0 | 0 | 0 | 0 | 122.2 | | |
| 811 | M | 28 | Very low | 29.5 | Very low | 146 Ų | 146 | 122.1 Ų | 122.1 | 72% | 0.719 | 68% | 0.684 | S | S | * | * | | | | 38.2 | 119.3 | 110.3 | -57.3 | -69.3 | -175.8 | 0 | 0 | 120.6 | | |
| 812 | D | 28.2 | Very low | 29.6 | Very low | 112 Ų | 112 | 124.9 Ų | 124.9 | 60% | 0.599 | 69% | 0.69 | S | S | * | * | | | | 179 | 119.7 | 90.9 | 176.7 | 41.4 | 0 | 0 | 0 | 113 | T814 | D812-T814 PolarHBondContact OD1-N 3.4Å; D812-T814 VanDerWaalsContact OD2-CB 3.27Å; D812-T814 WeakPolarHBondContact OD2-CB 3.23Å; D812-T814 VanDerWaalsContact OD2-CG2 3.27Å; D812-T814 WeakPolarHBondContact OD2-CG2 3.19Å; D812-T814 PolarHBondContact OD2-N 3.22Å; D812-T814 PolarHBondContact OD2-OG1 3.07Å |
| 813 | P | 31.1 | Very low | 29.6 | Very low | 111 Ų | 111 | 129.6 Ų | 129.6 | 72% | 0.721 | 70% | 0.703 | S | S | * | * | | | trans | -96.3 | 71.2 | 168.1 | 37.2 | -31.7 | 0 | 0 | 0 | 112.4 | L815 | P813-L815 PolarHBondContact O-N 2.76Å; P813-L815 VanDerWaalsContact O-N 3.09Å |
| 814 | T | 34 | Very low | 29.5 | Very low | 120 Ų | 120 | 130.5 Ų | 130.5 | 74% | 0.736 | 71% | 0.709 | S | S | * | * | | | trans | -62 | 114.1 | -178.2 | 3.1 | 0 | 0 | 0 | 0 | 112.9 | D812 K816 | D812-T814 PolarHBondContact OD1-N 3.4Å; D812-T814 VanDerWaalsContact OD2-CB 3.27Å; D812-T814 WeakPolarHBondContact OD2-CB 3.23Å; D812-T814 VanDerWaalsContact OD2-CG2 3.27Å; D812-T814 WeakPolarHBondContact OD2-CG2 3.19Å; D812-T814 PolarHBondContact OD2-N 3.22Å; D812-T814 PolarHBondContact OD2-OG1 3.07Å; T814-K816 PolarHBondContact O-N 3.41Å |
| 815 | L | 33.2 | Very low | 29.3 | Very low | 154 Ų | 154 | 131.9 Ų | 131.9 | 81% | 0.806 | 72% | 0.724 | S | S | * | * | | | trans | -67 | 126.3 | -171.6 | -79 | 166 | 0 | 0 | 0 | 114 | P813 S817 | P813-L815 PolarHBondContact O-N 2.76Å; P813-L815 VanDerWaalsContact O-N 3.09Å; L815-S817 PolarHBondContact O-N 2.9Å |
| 816 | K | 28.9 | Very low | 29.1 | Very low | 219 Ų | 219 | 131.7 Ų | 131.7 | 95% | 0.952 | 73% | 0.732 | S | S | * | * | | | trans | -78.8 | 60.5 | 173.8 | -164.4 | 176.2 | -177 | 172.4 | 0 | 112.6 | T814 | T814-K816 PolarHBondContact O-N 3.41Š|
| 817 | S | 32.1 | Very low | 29 | Very low | 90 Ų | 90 | 133.4 Ų | 133.4 | 63% | 0.629 | 75% | 0.751 | S | S | * | * | | | trans | -127.4 | 98.7 | 177.7 | 61.4 | 0 | 0 | 0 | 0 | 113.4 | L815 | L815-S817 PolarHBondContact O-N 2.9Š|
| 818 | M | 27.8 | Very low | 28.5 | Very low | 181 Ų | 181 | 133.6 Ų | 133.6 | 89% | 0.892 | 76% | 0.757 | S | S | * | * | | | trans | 38.7 | 96.6 | 149.3 | -152.9 | 171.7 | -60.4 | 0 | 0 | 117.7 | L820 | M818-L820 PolarHBondContact O-N 3.02Å; M818-L820 VanDerWaalsContact O-N 3.08Å |
| 819 | N | 29.9 | Very low | 28.6 | Very low | 136 Ų | 136 | 132.5 Ų | 132.5 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | | | trans | -52.1 | 112.2 | 166.1 | 179 | -18 | 0 | 0 | 0 | 110.9 | S821 | N819-S821 WeakPolarHBondContact OD1-CB 3.25Å; N819-S821 PolarHBondContact OD1-N 2.72Å; N819-S821 PolarHBondContact OD1-OG 3.45Å |
| 820 | L | 26.3 | Very low | 28.5 | Very low | 137 Ų | 137 | 134 Ų | 134 | 72% | 0.717 | 76% | 0.761 | S | S | * | * | | | trans | -123.7 | 72 | 163.6 | -165.2 | 76.6 | 0 | 0 | 0 | 109.4 | M818 M822 | M818-L820 PolarHBondContact O-N 3.02Å; M818-L820 VanDerWaalsContact O-N 3.08Å; L820-M822 HydrophobicContact CD2-CE 4.26Å; L820-M822 HydrophobicContact CG-CG 4.49Å; L820-M822 PolarHBondContact O-N 3.03Å |
| 821 | S | 29.6 | Very low | 28.3 | Very low | 102 Ų | 102 | 137 Ų | 137 | 71% | 0.713 | 77% | 0.772 | S | S | * | * | | | trans | -59.7 | 97.8 | 173.5 | 26.7 | 0 | 0 | 0 | 0 | 111.3 | N819 | N819-S821 WeakPolarHBondContact OD1-CB 3.25Å; N819-S821 PolarHBondContact OD1-N 2.72Å; N819-S821 PolarHBondContact OD1-OG 3.45Å |
| 822 | M | 27 | Very low | 28.3 | Very low | 139 Ų | 139 | 134.7 Ų | 134.7 | 69% | 0.685 | 78% | 0.776 | S | S | * | * | | | trans | -132.8 | 69.7 | 169.3 | -70.7 | -158 | -52.7 | 0 | 0 | 110.7 | L820 | L820-M822 HydrophobicContact CD2-CE 4.26Å; L820-M822 HydrophobicContact CG-CG 4.49Å; L820-M822 PolarHBondContact O-N 3.03Å |
| 823 | F | 27.9 | Very low | 28.5 | Very low | 191 Ų | 191 | 135.6 Ų | 135.6 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | | | trans | -149.2 | 148.1 | 169.3 | -106 | -65.5 | 0 | 0 | 0 | 114.2 | | |
| 824 | V | 26.6 | Very low | 28.5 | Very low | 121 Ų | 121 | 135.5 Ų | 135.5 | 73% | 0.733 | 79% | 0.79 | S | S | * | * | | | trans | 64.3 | 86.1 | 168.8 | -166.9 | 0 | 0 | 0 | 0 | 117.2 | | |
| 825 | S | 25.2 | Very low | 28.3 | Very low | 103 Ų | 103 | 138.5 Ų | 138.5 | 72% | 0.72 | 80% | 0.796 | S | S | * | * | | | | 40.5 | 128.5 | 111.8 | -47.3 | 0 | 0 | 0 | 0 | 121.4 | | |
| 826 | T | 26.7 | Very low | 28.1 | Very low | 137 Ų | 137 | 137.7 Ų | 137.7 | 84% | 0.84 | 80% | 0.798 | S | S | * | * | | | trans | -10.3 | 128.8 | 148.6 | 50.4 | 0 | 0 | 0 | 0 | 118.2 | | |
| 827 | S | 26.4 | Very low | 28.1 | Very low | 117 Ų | 117 | 130.6 Ų | 130.6 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 148.5 | 179.1 | -31.8 | 0 | 0 | 0 | 0 | 115.2 | | |
| 828 | V | 22.4 | Very low | 27.9 | Very low | 139 Ų | 139 | 131.7 Ų | 131.7 | 84% | 0.842 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -87 | 132.8 | 158.4 | -179.4 | 0 | 0 | 0 | 0 | 108.5 | | |
| 829 | T | 29.1 | Very low | 27.9 | Very low | 134 Ų | 134 | 133.8 Ų | 133.8 | 82% | 0.822 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -97.9 | 116.1 | 173.8 | 46.3 | 0 | 0 | 0 | 0 | 111.3 | | |
| 830 | S | 26.8 | Very low | 27.9 | Very low | 112 Ų | 112 | 133.2 Ų | 133.2 | 78% | 0.783 | 79% | 0.79 | S | S | * | * | | | trans | -123.8 | 130.4 | 160.5 | 46.3 | 0 | 0 | 0 | 0 | 108.9 | | |
| 831 | L | 26.7 | Very low | 28 | Very low | 176 Ų | 176 | 134.4 Ų | 134.4 | 92% | 0.921 | 80% | 0.796 | S | S | * | * | | | trans | -132 | 132.2 | 176 | -86 | 166.9 | 0 | 0 | 0 | 108.2 | | |
| 832 | A | 28.9 | Very low | 28.3 | Very low | 97 Ų | 97 | 135.6 Ų | 135.6 | 80% | 0.802 | 79% | 0.794 | S | S | * | * | | | trans | -117.8 | 137.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 833 | P | 33 | Very low | 28.8 | Very low | 131 Ų | 131 | 132.5 Ų | 132.5 | 85% | 0.851 | 80% | 0.798 | S | S | * | * | | | trans | -87.9 | 153.5 | 174.7 | -9.3 | 28.2 | 0 | 0 | 0 | 113.9 | | |
| 834 | S | 29.5 | Very low | 29 | Very low | 110 Ų | 110 | 126.6 Ų | 126.6 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | | | trans | -75.8 | 159.2 | -176.2 | 176.5 | 0 | 0 | 0 | 0 | 115.2 | | |
| 835 | Q | 31.1 | Very low | 29.6 | Very low | 182 Ų | 182 | 128.9 Ų | 128.9 | 85% | 0.85 | 80% | 0.799 | S | S | * | * | | | trans | -124.4 | 121.4 | 154.5 | -58.7 | 179.6 | 26.2 | 0 | 0 | 106 | | |
| 836 | T | 28.5 | Very low | 30 | Very low | 138 Ų | 138 | 127.4 Ų | 127.4 | 85% | 0.847 | 80% | 0.8 | S | S | * | * | | | | 76.9 | 109.1 | 81.7 | -55.5 | 0 | 0 | 0 | 0 | 114.1 | | |
| 837 | G | 29.4 | Very low | 30.8 | Very low | 69 Ų | 69 | 128.9 Ų | 128.9 | 71% | 0.711 | 80% | 0.801 | S | S | * | * | | | trans | -166 | 156.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 838 | T | 28.1 | Very low | 31.3 | Very low | 114 Ų | 114 | 128.8 Ų | 128.8 | 70% | 0.699 | 79% | 0.791 | S | S | * | * | | | trans | -161.2 | 109.7 | -161.6 | -65 | 0 | 0 | 0 | 0 | 114.9 | | |
| 839 | Y | 25.9 | Very low | 32.4 | Very low | 224 Ų | 224 | 129.5 Ų | 129.5 | 88% | 0.878 | 79% | 0.791 | S | S | * | * | | | trans | 58.6 | 171.4 | 171.1 | -53.6 | -62.3 | 0 | 0 | 0 | 115.3 | | |
| 840 | V | 30.6 | Very low | 33 | Very low | 124 Ų | 124 | 130.2 Ų | 130.2 | 75% | 0.752 | 79% | 0.79 | S | S | * | * | | | cis | -154.4 | 136.4 | 34.5 | 165.5 | 0 | 0 | 0 | 0 | 113 | | |
| 841 | I | 29.7 | Very low | 33.5 | Very low | 163 Ų | 163 | 131.3 Ų | 131.3 | 84% | 0.836 | 79% | 0.787 | S | S | * | * | | | trans | 43.8 | 127.4 | 149 | -60.9 | 172.7 | 0 | 0 | 0 | 122.5 | | |
| 842 | D | 34.2 | Very low | 34.1 | Very low | 126 Ų | 126 | 129.4 Ų | 129.4 | 67% | 0.674 | 78% | 0.777 | S | S | * | * | | | trans | -80.6 | 147 | 164.7 | 165.9 | 36.7 | 0 | 0 | 0 | 112.5 | K1655 | D842-K1655 IonicContact OD2-NZ 2.68Å; D842-K1655 PolarHBondContact OD2-NZ 2.94Å |
| 843 | G | 37.3 | Very low | 34.8 | Very low | 74 Ų | 74 | 132.1 Ų | 132.1 | 76% | 0.763 | 78% | 0.778 | S | S | * | * | | | trans | 160.8 | 126.2 | 169 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 844 | G | 33.4 | Very low | 35.1 | Very low | 68 Ų | 68 | 132.5 Ų | 132.5 | 70% | 0.701 | 77% | 0.773 | S | S | * | * | | | trans | 113.3 | 94.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 845 | D | 37.9 | Very low | 35.4 | Very low | 168 Ų | 168 | 133.5 Ų | 133.5 | 90% | 0.898 | 77% | 0.77 | S | S | * | * | | | cis | 43.1 | 112 | 49.5 | -74.9 | -13 | 0 | 0 | 0 | 111.6 | | |
| 846 | G | 35.4 | Very low | 35.5 | Very low | 72 Ų | 72 | 133 Ų | 133 | 74% | 0.742 | 77% | 0.773 | S | S | * | * | | | cis | 117.3 | 102.2 | 9.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 847 | I | 42.3 | Very low | 35.6 | Very low | 169 Ų | 169 | 132 Ų | 132 | 87% | 0.867 | 76% | 0.763 | S | S | * | * | | | trans | -141.8 | 118.5 | -177.7 | -44.3 | 177.3 | 0 | 0 | 0 | 108.4 | | |
| 848 | D | 37.7 | Very low | 35.8 | Very low | 114 Ų | 114 | 133.2 Ų | 133.2 | 61% | 0.61 | 76% | 0.756 | S | S | * | * | | | trans | -142.9 | 108.8 | 173.5 | -178.6 | 49.6 | 0 | 0 | 0 | 103.9 | K1372 | D848-K1372 IonicContact OD1-NZ 2.87Å; D848-K1372 PolarHBondContact OD1-NZ 3.35Å; D848-K1372 IonicContact OD2-NZ 3.49Å; D848-K1372 PolarHBondContact OD2-NZ 3.27Å |
| 849 | D | 45 | Very low | 35.8 | Very low | 155 Ų | 155 | 134.2 Ų | 134.2 | 83% | 0.829 | 76% | 0.757 | S | S | * | * | | | trans | -152.8 | 152.1 | 179.5 | -139.6 | -19.3 | 0 | 0 | 0 | 110.4 | | |
| 850 | D | 42 | Very low | 35.9 | Very low | 149 Ų | 149 | 130.6 Ų | 130.6 | 80% | 0.797 | 75% | 0.748 | S | S | * | * | | | trans | -94.8 | 176 | -156.9 | -87.6 | -52.8 | 0 | 0 | 0 | 116 | | |
| 851 | N | 36.1 | Very low | 35.9 | Very low | 135 Ų | 135 | 129.7 Ų | 129.7 | 72% | 0.722 | 74% | 0.739 | S | S | * | * | | | trans | -67.1 | 146.7 | -166.8 | -98.8 | 40.5 | 0 | 0 | 0 | 118.5 | | |
| 852 | D | 40.9 | Very low | 36 | Very low | 135 Ų | 135 | 130.1 Ų | 130.1 | 72% | 0.722 | 74% | 0.736 | S | S | * | * | | | trans | 70.4 | 149.3 | 139 | -60.9 | -31.9 | 0 | 0 | 0 | 123.8 | | |
| 853 | D | 43.4 | Very low | 35.9 | Very low | 154 Ų | 154 | 130.3 Ų | 130.3 | 82% | 0.824 | 74% | 0.736 | S | S | * | * | | | trans | 64.5 | 67.7 | 160.1 | -73.1 | -14.9 | 0 | 0 | 0 | 121.4 | | |
| 854 | N | 38 | Very low | 35.5 | Very low | 139 Ų | 139 | 133.2 Ų | 133.2 | 74% | 0.743 | 73% | 0.729 | S | S | * | * | | | | 54.7 | 95.8 | 115.6 | -171 | 40.1 | 0 | 0 | 0 | 119.8 | | |
| 855 | N | 36.8 | Very low | 35.4 | Very low | 131 Ų | 131 | 137.9 Ų | 137.9 | 70% | 0.701 | 73% | 0.733 | S | S | * | * | | | trans | 62 | 97.3 | 134.9 | -169.1 | 5.1 | 0 | 0 | 0 | 118.8 | | |
| 856 | N | 32.2 | Very low | 35.1 | Very low | 171 Ų | 171 | 135.5 Ų | 135.5 | 91% | 0.914 | 73% | 0.729 | S | S | * | * | | | trans | -123.8 | 144.3 | 149.8 | -160.4 | -1.4 | 0 | 0 | 0 | 109.1 | | |
| 857 | N | 32 | Very low | 35 | Very low | 119 Ų | 119 | 138.9 Ų | 138.9 | 64% | 0.636 | 73% | 0.731 | S | S | * | * | | | trans | -113.1 | 163.2 | -150.2 | -174.4 | 25.2 | 0 | 0 | 0 | 114.8 | | |
| 858 | T | 33.1 | Very low | 34.8 | Very low | 93 Ų | 93 | 139 Ų | 139 | 57% | 0.571 | 73% | 0.728 | S | S | * | * | | | trans | 92.1 | 129.6 | 146.7 | 7.7 | 0 | 0 | 0 | 0 | 120.7 | | |
| 859 | N | 28 | Very low | 34.8 | Very low | 135 Ų | 135 | 141.3 Ų | 141.3 | 72% | 0.722 | 74% | 0.735 | S | S | * | * | | | trans | 75.2 | 145.1 | 152.8 | -60.1 | -30.1 | 0 | 0 | 0 | 118 | | |
| 860 | Q | 28.7 | Very low | 34 | Very low | 148 Ų | 148 | 140.5 Ų | 140.5 | 69% | 0.692 | 73% | 0.73 | S | S | * | * | | | cis | -165.5 | 175.7 | -8.1 | -110 | -72.2 | 16.2 | 0 | 0 | 109.9 | | |
| 861 | D | 30.2 | Very low | 33.4 | Very low | 106 Ų | 106 | 140.3 Ų | 140.3 | 57% | 0.567 | 73% | 0.728 | S | S | * | * | | | trans | 78.4 | 139.9 | 151.6 | -63.7 | -45.1 | 0 | 0 | 0 | 123.2 | | |
| 862 | F | 32.1 | Very low | 33.1 | Very low | 172 Ų | 172 | 142 Ų | 142 | 75% | 0.754 | 73% | 0.731 | S | S | * | * | | | trans | 78 | 108.6 | 169.2 | -51 | -63.3 | 0 | 0 | 0 | 117.4 | | |
| 863 | L | 30.9 | Very low | 32.6 | Very low | 129 Ų | 129 | 142.7 Ų | 142.7 | 68% | 0.675 | 73% | 0.734 | S | S | * | * | | | cis | 65.9 | 143.1 | 42 | -43.4 | 163.6 | 0 | 0 | 0 | 111.8 | | |
| 864 | Q | 29 | Very low | 31.8 | Very low | 135 Ų | 135 | 143.2 Ų | 143.2 | 63% | 0.631 | 73% | 0.725 | S | S | * | * | | | cis | -165.1 | 153.4 | 23.1 | -157.4 | 125.7 | 17.1 | 0 | 0 | 113.5 | | |
| 865 | H | 31.3 | Very low | 31.6 | Very low | 166 Ų | 166 | 145.7 Ų | 145.7 | 77% | 0.769 | 73% | 0.73 | S | S | * | * | | | trans | 18.6 | 138.3 | 159.2 | -48.9 | -37.9 | 0 | 0 | 0 | 123.8 | | |
| 866 | S | 32 | Very low | 31.3 | Very low | 119 Ų | 119 | 144.2 Ų | 144.2 | 83% | 0.832 | 72% | 0.722 | S | S | * | * | | | | -176 | 152.6 | 107.1 | -73 | 0 | 0 | 0 | 0 | 112.6 | | |
| 867 | D | 32.5 | Very low | 31.4 | Very low | 143 Ų | 143 | 144 Ų | 144 | 77% | 0.765 | 72% | 0.721 | S | S | * | * | | | trans | -109.7 | -173 | -171.8 | -61.2 | -87.4 | 0 | 0 | 0 | 114 | | |
| 868 | E | 38.3 | Very low | 31.4 | Very low | 172 Ų | 172 | 145.2 Ų | 145.2 | 80% | 0.804 | 73% | 0.727 | S | S | * | * | | | trans | 74.3 | 142 | 162.9 | -71.6 | -167.5 | -140.9 | 0 | 0 | 118.2 | | |
| 869 | Q | 37.5 | Very low | 31.2 | Very low | 162 Ų | 162 | 148 Ų | 148 | 76% | 0.757 | 74% | 0.737 | S | S | * | * | | | cis | -143.1 | 146.1 | -5.8 | -54.9 | -169 | -6.6 | 0 | 0 | 108.2 | | |
| 870 | N | 30 | Very low | 31.4 | Very low | 138 Ų | 138 | 148 Ų | 148 | 74% | 0.738 | 74% | 0.736 | S | S | * | * | | | | 65.2 | 90.8 | 72.3 | -155.3 | 19.1 | 0 | 0 | 0 | 119.6 | | |
| 871 | I | 29.1 | Very low | 31.4 | Very low | 145 Ų | 145 | 147.5 Ų | 147.5 | 74% | 0.744 | 74% | 0.743 | S | S | * | * | | | trans | 30.9 | 121.9 | 143.6 | -51.1 | 173.9 | 0 | 0 | 0 | 121.6 | | |
| 872 | H | 28.7 | Very low | 31.4 | Very low | 170 Ų | 170 | 147.4 Ų | 147.4 | 79% | 0.787 | 75% | 0.749 | S | S | * | * | | | trans | -178.4 | 148 | 134.8 | -102.7 | -69.2 | 0 | 0 | 0 | 108.6 | | |
| 873 | L | 31.4 | Very low | 31.4 | Very low | 150 Ų | 150 | 150.7 Ų | 150.7 | 79% | 0.785 | 76% | 0.756 | S | S | * | * | | | cis | -129 | 166.1 | -6.6 | -56.8 | 88.5 | 0 | 0 | 0 | 107.4 | | |
| 874 | Y | 25.3 | Very low | 31.4 | Very low | 164 Ų | 164 | 147.2 Ų | 147.2 | 64% | 0.643 | 75% | 0.751 | S | S | * | * | | | cis | 80.5 | 93.2 | 19.3 | -166.7 | -100.9 | 0 | 0 | 0 | 118.8 | D876 | Y874-D876 PolarHBondContact OH-OD2 3.18Š|
| 875 | K | 34.7 | Very low | 31.6 | Very low | 192 Ų | 192 | 145.7 Ų | 145.7 | 84% | 0.835 | 76% | 0.755 | S | S | * | * | | | trans | -169.1 | 152.2 | 136.9 | -111.5 | -175.2 | -176.7 | -169.4 | 0 | 114.5 | | |
| 876 | D | 30 | Very low | 32 | Very low | 100 Ų | 100 | 143.8 Ų | 143.8 | 54% | 0.535 | 76% | 0.757 | S | S | . | * | | | trans | -99 | 173 | -167 | -26.6 | -101 | 0 | 0 | 0 | 113.7 | Y874 | Y874-D876 PolarHBondContact OH-OD2 3.18Š|
| 877 | N | 34.7 | Very low | 32 | Very low | 167 Ų | 167 | 147.8 Ų | 147.8 | 89% | 0.893 | 76% | 0.76 | S | S | * | * | | | trans | -175.6 | 133.1 | 137.9 | -93.8 | -57.8 | 0 | 0 | 0 | 111.7 | | |
| 878 | D | 31.9 | Very low | 31.9 | Very low | 144 Ų | 144 | 152.1 Ų | 152.1 | 77% | 0.77 | 77% | 0.766 | S | S | * | * | | | trans | -77 | 172.6 | 175.6 | -49.1 | -91.2 | 0 | 0 | 0 | 113.8 | | |
| 879 | L | 29.1 | Very low | 31.3 | Very low | 151 Ų | 151 | 151.1 Ų | 151.1 | 79% | 0.791 | 77% | 0.766 | S | S | * | * | | | | -172.9 | 123.8 | 116.4 | -118.4 | 58.5 | 0 | 0 | 0 | 116.1 | | |
| 880 | I | 31.8 | Very low | 30.9 | Very low | 135 Ų | 135 | 151.8 Ų | 151.8 | 69% | 0.692 | 77% | 0.773 | S | S | * | * | | | trans | 73.8 | 120.4 | 144 | -68.3 | 161.3 | 0 | 0 | 0 | 121.4 | | |
| 881 | T | 28.9 | Very low | 30.8 | Very low | 138 Ų | 138 | 150.8 Ų | 150.8 | 85% | 0.847 | 77% | 0.772 | S | S | * | * | | | trans | -113 | 142.4 | 138.9 | -48.3 | 0 | 0 | 0 | 0 | 108 | | |
| 882 | P | 29.4 | Very low | 30.7 | Very low | 104 Ų | 104 | 148.2 Ų | 148.2 | 68% | 0.675 | 77% | 0.772 | S | S | * | * | | | trans | -93.3 | 120.3 | -160.9 | 33 | -35.5 | 0 | 0 | 0 | 117.8 | | |
| 883 | R | 32.3 | Very low | 30.6 | Very low | 241 Ų | 241 | 148.8 Ų | 148.8 | 91% | 0.909 | 78% | 0.775 | S | S | * | * | | | trans | 64.5 | 131 | 141.1 | -79.2 | -176 | 163.6 | 146.5 | -0.3 | 122.9 | | |
| 884 | G | 30.9 | Very low | 30.4 | Very low | 55 Ų | 55 | 145 Ų | 145 | 57% | 0.567 | 77% | 0.773 | S | S | * | * | | | trans | -131.5 | -178.3 | 149.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 885 | S | 34.8 | Very low | 30.6 | Very low | 103 Ų | 103 | 145.5 Ų | 145.5 | 72% | 0.72 | 78% | 0.781 | S | S | * | * | | | trans | -126.4 | 176 | -171.3 | -62.7 | 0 | 0 | 0 | 0 | 112.4 | | |
| 886 | P | 38.5 | Very low | 30.5 | Very low | 126 Ų | 126 | 142.6 Ų | 142.6 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | | | trans | -93.6 | 160.6 | -133.5 | 37 | -40.8 | 0 | 0 | 0 | 117.4 | | |
| 887 | K | 31.8 | Very low | 30.4 | Very low | 203 Ų | 203 | 145.5 Ų | 145.5 | 88% | 0.883 | 79% | 0.788 | S | S | * | * | | | trans | -156.9 | 131 | 160.4 | -150.3 | 171.3 | -173.7 | 171.1 | 0 | 113.9 | | |
| 888 | R | 30.2 | Very low | 29.9 | Very low | 235 Ų | 235 | 143.1 Ų | 143.1 | 89% | 0.887 | 78% | 0.776 | S | S | * | * | | | trans | 73.7 | 115.4 | 155 | -150.2 | 175.7 | -154.8 | 158.1 | 5.9 | 119.7 | | |
| 889 | D | 26.3 | Very low | 29.8 | Very low | 151 Ų | 151 | 146.8 Ų | 146.8 | 81% | 0.807 | 78% | 0.778 | S | S | * | * | | | trans | -89.7 | 148.5 | 172.5 | -34.8 | -102.8 | 0 | 0 | 0 | 112.6 | | |
| 890 | I | 29.2 | Very low | 29.5 | Very low | 176 Ų | 176 | 150 Ų | 150 | 90% | 0.903 | 78% | 0.78 | S | S | * | * | | | trans | -140.1 | 142.4 | 133.4 | -66.2 | -167.3 | 0 | 0 | 0 | 107.6 | | |
| 891 | T | 27.7 | Very low | 29.2 | Very low | 116 Ų | 116 | 148.4 Ų | 148.4 | 71% | 0.712 | 78% | 0.781 | S | S | * | * | | | trans | -77.4 | 161.3 | -169.7 | -35.7 | 0 | 0 | 0 | 0 | 114.9 | | |
| 892 | A | 27.5 | Very low | 29.3 | Very low | 91 Ų | 91 | 147.3 Ų | 147.3 | 75% | 0.752 | 77% | 0.774 | S | S | * | * | | | trans | 111.4 | 140.5 | 135.8 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 893 | E | 25.9 | Very low | 29.1 | Very low | 183 Ų | 183 | 149.7 Ų | 149.7 | 86% | 0.855 | 78% | 0.781 | S | S | * | * | | | cis | -160.4 | 159.3 | -25.7 | -106.1 | -147.3 | 163 | 0 | 0 | 109.2 | | |
| 894 | G | 27.8 | Very low | 28.9 | Very low | 71 Ų | 71 | 146.5 Ų | 146.5 | 73% | 0.732 | 78% | 0.776 | S | S | * | * | | | trans | 80.9 | 155.4 | 164.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 895 | E | 28.8 | Very low | 28.7 | Very low | 173 Ų | 173 | 150 Ų | 150 | 81% | 0.808 | 78% | 0.782 | S | S | * | * | | | cis | -158.4 | 168.4 | -19.1 | -145 | -171 | -156.2 | 0 | 0 | 110.3 | | |
| 896 | L | 33.8 | Very low | 28.3 | Very low | 131 Ų | 131 | 149.6 Ų | 149.6 | 69% | 0.686 | 78% | 0.779 | S | S | * | * | | | trans | 59.7 | 99.9 | 169.4 | -53.9 | 175.5 | 0 | 0 | 0 | 115.4 | | |
| 897 | L | 26.9 | Very low | 27.7 | Very low | 161 Ų | 161 | 150 Ų | 150 | 84% | 0.843 | 77% | 0.774 | S | S | * | * | | | | 53.8 | 144.9 | 70.8 | -62.2 | 169.8 | 0 | 0 | 0 | 115.8 | | |
| 898 | N | 24 | Very low | 27.3 | Very low | 118 Ų | 118 | 146.6 Ų | 146.6 | 63% | 0.631 | 77% | 0.765 | S | S | * | * | | | trans | 83.2 | 83.6 | 142.3 | -158.6 | 15.3 | 0 | 0 | 0 | 118.9 | | |
| 899 | R | 30.2 | Very low | 27.2 | Very low | 220 Ų | 220 | 143.4 Ų | 143.4 | 83% | 0.83 | 76% | 0.761 | S | S | * | * | | | | -179.9 | 124.3 | 109.5 | -86.9 | 141.2 | -157 | -146.1 | 4 | 108.5 | | |
| 900 | R | 22.7 | Very low | 27.3 | Very low | 218 Ų | 218 | 141.2 Ų | 141.2 | 82% | 0.823 | 75% | 0.745 | S | S | * | * | | | | 71 | 100.4 | 60.8 | -172 | 178.8 | 179.6 | 169.5 | 1.1 | 112.8 | | |
| 901 | S | 25.3 | Very low | 27.2 | Very low | 103 Ų | 103 | 136.3 Ų | 136.3 | 72% | 0.72 | 72% | 0.724 | S | S | * | * | | | trans | 59.1 | 100.1 | 147.9 | -51.9 | 0 | 0 | 0 | 0 | 119.1 | | |
| 902 | T | 31.3 | Very low | 27.5 | Very low | 114 Ų | 114 | 136.7 Ų | 136.7 | 70% | 0.699 | 72% | 0.716 | S | S | * | * | | | trans | -141.8 | 92 | 142.7 | -16 | 0 | 0 | 0 | 0 | 112 | H904 | T902-H904 VanDerWaalsContact C-N 3.28Å; T902-H904 WeakPolarHBondContact CG2-CD2 3.26Å; T902-H904 PolarHBondContact O-N 3.27Å |
| 903 | N | 24.5 | Very low | 27.3 | Very low | 154 Ų | 154 | 139.5 Ų | 139.5 | 82% | 0.824 | 71% | 0.713 | S | S | * | * | | | trans | -74.8 | 83.1 | 161.5 | -83.4 | -14.2 | 0 | 0 | 0 | 108.8 | L905 | N903-L905 HydrophobicContact CB-CD1 4.18Å; N903-L905 PolarHBondContact O-N 3.35Å |
| 904 | H | 28.4 | Very low | 27.3 | Very low | 174 Ų | 174 | 135.9 Ų | 135.9 | 81% | 0.806 | 70% | 0.699 | S | S | * | * | | | trans | -77.8 | 78.8 | 163.5 | -91.5 | -64.8 | 0 | 0 | 0 | 110.1 | T902 | T902-H904 VanDerWaalsContact C-N 3.28Å; T902-H904 WeakPolarHBondContact CG2-CD2 3.26Å; T902-H904 PolarHBondContact O-N 3.27Å |
| 905 | L | 26.9 | Very low | 27.5 | Very low | 130 Ų | 130 | 134 Ų | 134 | 68% | 0.681 | 67% | 0.674 | S | S | * | * | | | trans | -66.4 | 163.4 | 154.4 | -93.4 | 73.3 | 0 | 0 | 0 | 109.9 | N903 | N903-L905 HydrophobicContact CB-CD1 4.18Å; N903-L905 PolarHBondContact O-N 3.35Å |
| 906 | S | 26 | Very low | 27.3 | Very low | 94 Ų | 94 | 131.4 Ų | 131.4 | 66% | 0.657 | 66% | 0.662 | S | S | * | * | | | trans | 74.9 | 154.9 | 160.3 | 85.9 | 0 | 0 | 0 | 0 | 116.1 | | |
| 907 | N | 26.2 | Very low | 27.1 | Very low | 134 Ų | 134 | 133.7 Ų | 133.7 | 72% | 0.717 | 67% | 0.667 | S | S | * | * | | | cis | -122.4 | 152.3 | 3.3 | -82.7 | -71.1 | 0 | 0 | 0 | 111 | | |
| 908 | N | 24.1 | Very low | 27.2 | Very low | 131 Ų | 131 | 132 Ų | 132 | 70% | 0.701 | 65% | 0.654 | S | S | * | * | | | cis | 64.8 | 65.5 | 44.9 | -84 | -35.2 | 0 | 0 | 0 | 115.2 | | |
| 909 | Q | 27.7 | Very low | 27.5 | Very low | 168 Ų | 168 | 133.8 Ų | 133.8 | 79% | 0.785 | 66% | 0.657 | S | S | * | * | | | trans | -126.7 | 137.2 | 138.4 | -60.6 | -171.7 | 19.2 | 0 | 0 | 107.1 | | |
| 910 | Q | 28.8 | Very low | 27.7 | Very low | 105 Ų | 105 | 127.4 Ų | 127.4 | 49% | 0.491 | 64% | 0.639 | S | S | . | * | | | cis | -145.2 | 159.8 | 6 | -145.1 | 174.2 | 19.6 | 0 | 0 | 111.1 | S337 | S337-Q910 VanDerWaalsContact CA-O 3.28Å; S337-Q910 WeakPolarHBondContact CA-O 3.33Å |
| 911 | T | 27.3 | Very low | 28.1 | Very low | 74 Ų | 74 | 119.7 Ų | 119.7 | 45% | 0.454 | 61% | 0.612 | S | S | . | * | | | trans | -114 | 139.2 | 176.4 | 36 | 0 | 0 | 0 | 0 | 111.3 | K338 F339 | K338-T911 HydrophobicContact CD-CG2 3.7Å; K338-T911 HydrophobicContact CG-CG2 4.25Å; F339-T911 HydrophobicContact CD2-CG2 4.04Å; F339-T911 HydrophobicContact CE2-CG2 3.58Å; F339-T911 HydrophobicContact CZ-CG2 4.41Å |
| 912 | K | 33.2 | Very low | 28.3 | Very low | 124 Ų | 124 | 120.2 Ų | 120.2 | 54% | 0.539 | 60% | 0.603 | S | S | . | * | | | trans | -127.1 | 100.7 | 169 | -100.4 | -173 | -172.1 | 159.1 | 0 | 106.4 | N336 S337 K338 F339 L914 | N336-K912 VanDerWaalsContact OD1-CE 3.26Å; N336-K912 WeakPolarHBondContact OD1-CE 3.5Å; N336-K912 PolarHBondContact OD1-NZ 3.08Å; S337-K912 VanDerWaalsContact OG-CB 3.27Å; S337-K912 WeakPolarHBondContact OG-CB 3.38Å; S337-K912 WeakPolarHBondContact OG-CD 3.18Å; S337-K912 WeakPolarHBondContact OG-CG 3.32Å; K338-K912 CarbonylContact C-O 3.06Å; K338-K912 VanDerWaalsContact C-O 3.28Å; K338-K912 CarbonylContact O-C 3.5Å; K338-K912 VanDerWaalsContact O-C 3.29Å; K338-K912 PolarHBondContact O-N 2.82Å; F339-K912 WeakPolarHBondContact CB-O 3.47Å; F339-K912 PolarHBondContact N-O 2.93Å; K912-L914 PolarHBondContact O-N 3.04Å |
| 913 | Q | 25 | Very low | 28.2 | Very low | 149 Ų | 149 | 122.2 Ų | 122.2 | 70% | 0.696 | 61% | 0.609 | S | S | * | * | | | trans | -58.2 | 100 | 176.7 | -71.3 | 163.3 | -14.5 | 0 | 0 | 110.1 | F339 | F339-Q913 HydrophobicContact CD2-CB 4.28Å; F339-Q913 HydrophobicContact CD2-CG 3.7Å; F339-Q913 HydrophobicContact CE2-CG 3.54Å; F339-Q913 HydrophobicContact CZ-CG 4.24Å |
| 914 | L | 24.8 | Very low | 28.5 | Very low | 107 Ų | 107 | 118.2 Ų | 118.2 | 56% | 0.56 | 59% | 0.593 | S | S | * | * | | | | -89.3 | 169.6 | 122.6 | -105.3 | 43.3 | 0 | 0 | 0 | 109.3 | F339 T341 K912 | F339-L914 WeakPolarHBondContact CB-O 3.45Å; T341-L914 VanDerWaalsContact N-C 3.3Å; T341-L914 PolarHBondContact OG1-O 3.31Å; K912-L914 PolarHBondContact O-N 3.04Å |
| 915 | P | 31.4 | Very low | 28.4 | Very low | 31 Ų | 31 | 117 Ų | 117 | 20% | 0.201 | 59% | 0.59 | C | S | . | * | | | trans | -71.6 | -137.3 | -178 | -1.6 | 3 | 0 | 0 | 0 | 123.8 | S340 T341 T342 | S340-P915 CarbonylContact C-O 3.29Å; S340-P915 CarbonylContact O-C 3.53Å; T341-P915 HydrophobicContact CG2-CB 2.7Å; T341-P915 HydrophobicContact CG2-CG 3.04Å; T341-P915 VanDerWaalsContact O-CD 3.25Å; T341-P915 WeakPolarHBondContact O-CD 3.32Å; T341-P915 WeakPolarHBondContact O-CG 3.45Å; T341-P915 WeakPolarHBondContact OG1-CA 3.49Å; T341-P915 WeakPolarHBondContact OG1-CB 3.43Å; T341-P915 VanDerWaalsContact OG1-CD 3.25Å; T341-P915 WeakPolarHBondContact OG1-CD 3.33Å; T342-P915 WeakPolarHBondContact O-CB 3.2Å; T342-P915 WeakPolarHBondContact O-CG 3.35Å; T342-P915 WeakPolarHBondContact OG1-CB 3.09Å |
| 916 | Q | 24.9 | Very low | 28.3 | Very low | 119 Ų | 119 | 118.8 Ų | 118.8 | 56% | 0.556 | 60% | 0.599 | S | S | * | * | | | trans | -98.7 | 172.3 | 163.2 | -61.3 | 140.8 | -101.3 | 0 | 0 | 112.3 | S340 T341 T342 E918 | S340-Q916 CarbonylContact O-C 3.56Å; S340-Q916 WeakPolarHBondContact O-CA 3.41Å; S340-Q916 PolarHBondContact O-N 3.05Å; S340-Q916 VanDerWaalsContact O-O 3.11Å; T341-Q916 CarbonylContact C-O 3.46Å; T341-Q916 VanDerWaalsContact C-O 3.31Å; T342-Q916 PolarHBondContact N-O 3.48Å; T342-Q916 PolarHBondContact OG1-O 2.96Å; T342-Q916 VanDerWaalsContact OG1-O 3.11Å; Q916-E918 PolarHBondContact NE2-OE2 3.44Å |
| 917 | F | 30.7 | Very low | 29 | Very low | 180 Ų | 180 | 119 Ų | 119 | 79% | 0.789 | 60% | 0.598 | S | S | * | * | | | trans | -142.8 | 146.7 | 136.7 | -127.4 | -65.8 | 0 | 0 | 0 | 107.6 | T342 | T342-F917 HydrophobicContact CG2-CB 4.22Å; T342-F917 HydrophobicContact CG2-CD1 3.44Å; T342-F917 VanDerWaalsContact CG2-CD1 3.44Å; T342-F917 HydrophobicContact CG2-CD2 3.43Å; T342-F917 VanDerWaalsContact CG2-CD2 3.43Å; T342-F917 HydrophobicContact CG2-CE1 3.49Å; T342-F917 VanDerWaalsContact CG2-CE1 3.49Å; T342-F917 HydrophobicContact CG2-CE2 3.49Å; T342-F917 VanDerWaalsContact CG2-CE2 3.49Å; T342-F917 HydrophobicContact CG2-CG 3.41Å; T342-F917 VanDerWaalsContact CG2-CG 3.41Å; T342-F917 HydrophobicContact CG2-CZ 3.53Å |
| 918 | E | 27.4 | Very low | 29.3 | Very low | 124 Ų | 124 | 118.9 Ų | 118.9 | 58% | 0.579 | 60% | 0.602 | S | S | * | * | | | trans | -126.7 | 114.4 | -150.6 | -173.3 | 174.4 | 122.7 | 0 | 0 | 111.5 | Q916 | Q916-E918 PolarHBondContact NE2-OE2 3.44Š|
| 919 | K | 31.5 | Very low | 29.3 | Very low | 157 Ų | 157 | 121.4 Ų | 121.4 | 68% | 0.683 | 61% | 0.609 | S | S | * | * | | | trans | -175.8 | 152.9 | 163.4 | -117.1 | -174.7 | 172.8 | -147.3 | 0 | 113.7 | | |
| 920 | D | 33.4 | Very low | 29.1 | Very low | 85 Ų | 85 | 121.3 Ų | 121.3 | 46% | 0.455 | 61% | 0.608 | S | S | . | * | | | trans | 83.3 | 103.9 | 148.4 | -60.8 | -18.3 | 0 | 0 | 0 | 121 | | |
| 921 | F | 31.8 | Very low | 28.9 | Very low | 57 Ų | 57 | 121.7 Ų | 121.7 | 25% | 0.25 | 62% | 0.618 | C | S | . | * | | | trans | 77.5 | 135.4 | 141.8 | -76.7 | -97.7 | 0 | 0 | 0 | 121.5 | H1710 R1711 | F921-H1710 AromaticContact CD1-ND1 3.48Å; F921-H1710 WeakPolarHBondContact CD1-ND1 3.44Å; F921-H1710 AromaticContact CD2-ND1 3.81Å; F921-H1710 HydrophobicContact CE1-CB 4.35Å; F921-H1710 AromaticContact CE1-ND1 3.75Å; F921-H1710 HydrophobicContact CE2-CB 3.98Å; F921-H1710 AromaticContact CG-ND1 3.65Å; F921-H1710 HydrophobicContact CZ-CB 4Å; F921-R1711 VanDerWaalsContact CE2-O 3.26Å; F921-R1711 WeakPolarHBondContact CE2-O 3.27Å; F921-R1711 HydrophobicContact CZ-CB 3.96Å; F921-R1711 WeakPolarHBondContact CZ-O 3.02Å |
| 922 | E | 29.8 | Very low | 28.9 | Very low | 114 Ų | 114 | 127.2 Ų | 127.2 | 53% | 0.533 | 64% | 0.638 | S | S | . | * | | | cis | -155 | 134.1 | -14.6 | -155.2 | 172.9 | -168 | 0 | 0 | 111 | L1713 | E922-L1713 HydrophobicContact CB-CD1 4.38Å; E922-L1713 HydrophobicContact CG-CD1 3.43Å; E922-L1713 VanDerWaalsContact CG-CD1 3.43Å; E922-L1713 HydrophobicContact CG-CG 4.15Å |
| 923 | N | 29.5 | Very low | 28.6 | Very low | 156 Ų | 156 | 126.4 Ų | 126.4 | 83% | 0.834 | 64% | 0.644 | S | S | * | * | | | trans | -153.1 | 66.9 | 173 | -143 | 5.8 | 0 | 0 | 0 | 113 | | |
| 924 | S | 30.6 | Very low | 28.6 | Very low | 69 Ų | 69 | 126.3 Ų | 126.3 | 48% | 0.483 | 65% | 0.648 | S | S | . | * | | | trans | -169.2 | 160.1 | 173.4 | 106.6 | 0 | 0 | 0 | 0 | 110.4 | L1713 | S924-L1713 VanDerWaalsContact CB-CD1 3.49Å; S924-L1713 WeakPolarHBondContact OG-CD1 3.39Å |
| 925 | M | 25.8 | Very low | 28.7 | Very low | 150 Ų | 150 | 127.2 Ų | 127.2 | 74% | 0.739 | 66% | 0.657 | S | S | * | * | | | cis | -176.6 | 138.2 | -19 | 167.5 | 175.6 | 70.3 | 0 | 0 | 108.5 | | |
| 926 | L | 24.6 | Very low | 28.4 | Very low | 166 Ų | 166 | 129.3 Ų | 129.3 | 87% | 0.869 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -131.3 | 160.4 | 141.8 | -83 | -173.9 | 0 | 0 | 0 | 107.7 | | |
| 927 | P | 40.2 | Very low | 28.4 | Very low | 100 Ų | 100 | 131.6 Ų | 131.6 | 65% | 0.649 | 69% | 0.688 | S | S | * | * | | | trans | -86.3 | 177.9 | -143.3 | 38.6 | -41.3 | 0 | 0 | 0 | 113.5 | | |
| 928 | V | 33.5 | Very low | 28.6 | Very low | 130 Ų | 130 | 130.4 Ų | 130.4 | 79% | 0.788 | 69% | 0.685 | S | S | * | * | | | cis | -150.1 | 136.7 | 28.3 | -168.2 | 0 | 0 | 0 | 0 | 113.4 | | |
| 929 | E | 23.6 | Very low | 28.6 | Very low | 185 Ų | 185 | 131.4 Ų | 131.4 | 86% | 0.864 | 69% | 0.689 | S | S | * | * | | | trans | -145.6 | 158.4 | 149.6 | -88.3 | -161 | 174.4 | 0 | 0 | 108.2 | | |
| 930 | H | 23.5 | Very low | 28.4 | Very low | 165 Ų | 165 | 134.4 Ų | 134.4 | 76% | 0.764 | 70% | 0.698 | S | S | * | * | | | cis | -155.7 | 139.9 | -34.4 | -170.8 | -78.8 | 0 | 0 | 0 | 106.6 | | |
| 931 | V | 23.8 | Very low | 28.4 | Very low | 113 Ų | 113 | 135.4 Ų | 135.4 | 69% | 0.685 | 71% | 0.712 | S | S | * | * | | | trans | -82 | 119.6 | 173.6 | 172.9 | 0 | 0 | 0 | 0 | 108.9 | T933 | V931-T933 PolarHBondContact O-N 3.34Š|
| 932 | Q | 28.3 | Very low | 28.4 | Very low | 190 Ų | 190 | 135.3 Ų | 135.3 | 89% | 0.888 | 73% | 0.726 | S | S | * | * | | | trans | -84.2 | 97.5 | 168 | -169 | 173.5 | 65.2 | 0 | 0 | 110.2 | | |
| 933 | T | 25.8 | Very low | 28.4 | Very low | 107 Ų | 107 | 138.4 Ų | 138.4 | 66% | 0.656 | 75% | 0.747 | S | S | * | * | | | trans | -134.8 | 104.9 | 158.9 | -57.1 | 0 | 0 | 0 | 0 | 108.5 | V931 | V931-T933 PolarHBondContact O-N 3.34Š|
| 934 | L | 25.1 | Very low | 28.5 | Very low | 148 Ų | 148 | 139.5 Ų | 139.5 | 78% | 0.775 | 74% | 0.744 | S | S | * | * | | | trans | 39.4 | 127.2 | 152.5 | -68 | 164.2 | 0 | 0 | 0 | 120.5 | | |
| 935 | T | 27.5 | Very low | 28.5 | Very low | 125 Ų | 125 | 147 Ų | 147 | 77% | 0.767 | 76% | 0.762 | S | S | * | * | | | trans | 76.6 | 96.4 | 136.3 | -54.3 | 0 | 0 | 0 | 0 | 119.7 | | |
| 936 | A | 24.7 | Very low | 28.7 | Very low | 76 Ų | 76 | 145.7 Ų | 145.7 | 63% | 0.628 | 76% | 0.757 | S | S | * | * | | | | 65.9 | 125.5 | 125.6 | 0 | 0 | 0 | 0 | 0 | 123.6 | | |
| 937 | H | 25.6 | Very low | 28.8 | Very low | 166 Ų | 166 | 145.3 Ų | 145.3 | 77% | 0.769 | 76% | 0.756 | S | S | * | * | | | trans | 85.1 | 154.6 | 134.8 | -84.5 | -123.4 | 0 | 0 | 0 | 122.2 | | |
| 938 | H | 34.7 | Very low | 28.4 | Very low | 156 Ų | 156 | 146 Ų | 146 | 72% | 0.722 | 75% | 0.754 | S | S | * | * | | | trans | 72.3 | 143.8 | -179.1 | -54.4 | -74.9 | 0 | 0 | 0 | 115.8 | | |
| 939 | Q | 26.5 | Very low | 28.1 | Very low | 144 Ų | 144 | 144.3 Ų | 144.3 | 67% | 0.673 | 75% | 0.748 | S | S | * | * | | | cis | 149.4 | 157.7 | -17 | -101.4 | 178.7 | -34.4 | 0 | 0 | 106.1 | | |
| 940 | Y | 28.1 | Very low | 28.1 | Very low | 220 Ų | 220 | 142.6 Ų | 142.6 | 86% | 0.863 | 74% | 0.743 | S | S | * | * | | | trans | 66.7 | 157 | -178.5 | -59.3 | -89.5 | 0 | 0 | 0 | 114.3 | | |
| 941 | S | 33.2 | Very low | 28.2 | Very low | 107 Ų | 107 | 138.6 Ų | 138.6 | 75% | 0.748 | 73% | 0.734 | S | S | * | * | | | cis | -167 | 144.4 | -24.8 | 174.2 | 0 | 0 | 0 | 0 | 105.4 | | |
| 942 | G | 32.2 | Very low | 28.2 | Very low | 54 Ų | 54 | 140 Ų | 140 | 56% | 0.557 | 74% | 0.743 | S | S | * | * | | | cis | 141.1 | 86.5 | 9.7 | 0 | 0 | 0 | 0 | 0 | 109 | K944 | G942-K944 PolarHBondContact O-N 2.89Š|
| 943 | N | 28.7 | Very low | 28.3 | Very low | 179 Ų | 179 | 136.1 Ų | 136.1 | 96% | 0.957 | 73% | 0.732 | S | S | * | * | | | trans | -71.1 | 114.7 | 177.6 | -79.5 | 8.2 | 0 | 0 | 0 | 110.2 | | |
| 944 | K | 33 | Very low | 28.3 | Very low | 180 Ų | 180 | 137.5 Ų | 137.5 | 78% | 0.783 | 74% | 0.736 | S | S | * | * | | | trans | -115.5 | 147.7 | 171.7 | -70.7 | 177.2 | 178.1 | 172.9 | 0 | 108.7 | G942 | G942-K944 PolarHBondContact O-N 2.89Š|
| 945 | R | 29.2 | Very low | 28.4 | Very low | 226 Ų | 226 | 138.5 Ų | 138.5 | 85% | 0.853 | 74% | 0.74 | S | S | * | * | | | trans | 69.3 | 135.7 | 154.3 | -76.8 | 176.4 | 177.5 | -173.3 | -4.7 | 115.5 | | |
| 946 | L | 32 | Very low | 28.2 | Very low | 123 Ų | 123 | 138 Ų | 138 | 64% | 0.644 | 74% | 0.738 | S | S | * | * | | | cis | -137.9 | 149.9 | -3.4 | -91.5 | 154.7 | 0 | 0 | 0 | 109.9 | D948 | L946-D948 WeakPolarHBondContact CD2-OD2 3.48Š|
| 947 | N | 26 | Very low | 28.2 | Very low | 157 Ų | 157 | 141.1 Ų | 141.1 | 84% | 0.84 | 74% | 0.737 | S | S | * | * | | | trans | -100.3 | 115.3 | 141.9 | -92.4 | -11.9 | 0 | 0 | 0 | 105.5 | | |
| 948 | D | 30.7 | Very low | 28.2 | Very low | 115 Ų | 115 | 138.7 Ų | 138.7 | 62% | 0.615 | 73% | 0.734 | S | S | * | * | | | trans | -115.8 | 132.5 | 151.8 | -76.5 | -52.7 | 0 | 0 | 0 | 105.8 | L946 | L946-D948 WeakPolarHBondContact CD2-OD2 3.48Š|
| 949 | S | 27.6 | Very low | 27.7 | Very low | 94 Ų | 94 | 137.6 Ų | 137.6 | 66% | 0.657 | 74% | 0.741 | S | S | * | * | | | | 65.1 | 127.9 | 53.3 | -50.7 | 0 | 0 | 0 | 0 | 110.8 | | |
| 950 | I | 24.8 | Very low | 27.6 | Very low | 149 Ų | 149 | 135.4 Ų | 135.4 | 76% | 0.764 | 74% | 0.742 | S | S | * | * | | | cis | -166.5 | 156.5 | -15.6 | -127 | 160.9 | 0 | 0 | 0 | 106.2 | | |
| 951 | S | 23.9 | Very low | 27.5 | Very low | 81 Ų | 81 | 131.9 Ų | 131.9 | 57% | 0.566 | 74% | 0.737 | S | S | * | * | | | trans | 33 | 127.3 | 164.2 | 65.9 | 0 | 0 | 0 | 0 | 121.1 | V953 | S951-V953 PolarHBondContact O-N 3.06Š|
| 952 | T | 24 | Very low | 27.5 | Very low | 144 Ų | 144 | 135.9 Ų | 135.9 | 88% | 0.883 | 75% | 0.745 | S | S | * | * | | | trans | -48.4 | 123.5 | 139.7 | -18 | 0 | 0 | 0 | 0 | 110.1 | | |
| 953 | V | 30.1 | Very low | 27.2 | Very low | 108 Ų | 108 | 139.2 Ų | 139.2 | 66% | 0.655 | 74% | 0.743 | S | S | * | * | | | trans | -136 | 127.4 | 160.8 | 174.6 | 0 | 0 | 0 | 0 | 106.5 | S951 L955 | S951-V953 PolarHBondContact O-N 3.06Å; V953-L955 PolarHBondContact O-N 3.45Å |
| 954 | D | 26.6 | Very low | 27.5 | Very low | 136 Ų | 136 | 135.3 Ų | 135.3 | 73% | 0.727 | 73% | 0.728 | S | S | * | * | | | trans | -65.3 | 103.6 | 179.8 | -67.5 | -70.4 | 0 | 0 | 0 | 111.7 | T956 | D954-T956 PolarHBondContact O-N 3.46Š|
| 955 | L | 26.6 | Very low | 27.3 | Very low | 168 Ų | 168 | 135 Ų | 135 | 88% | 0.88 | 73% | 0.734 | S | S | * | * | | | trans | -89.6 | 68.2 | 159.7 | -73.3 | 178.7 | 0 | 0 | 0 | 109.8 | V953 K957 | V953-L955 PolarHBondContact O-N 3.45Å; L955-K957 PolarHBondContact O-N 3.04Å |
| 956 | T | 25 | Very low | 26.9 | Very low | 116 Ų | 116 | 129 Ų | 129 | 71% | 0.712 | 73% | 0.726 | S | S | * | * | | | trans | -64.9 | 112.9 | 156.7 | 46.3 | 0 | 0 | 0 | 0 | 108.7 | D954 | D954-T956 PolarHBondContact O-N 3.46Š|
| 957 | K | 23.7 | Very low | 27 | Very low | 140 Ų | 140 | 131.4 Ų | 131.4 | 61% | 0.609 | 74% | 0.738 | S | S | * | * | | | trans | -170.6 | 131.5 | 137.2 | -106.5 | 153.3 | -174.5 | 170 | 0 | 114.5 | L955 | L955-K957 PolarHBondContact O-N 3.04Š|
| 958 | T | 25 | Very low | 26.9 | Very low | 116 Ų | 116 | 129.3 Ų | 129.3 | 71% | 0.712 | 73% | 0.731 | S | S | * | * | | | trans | 56 | 110.5 | 147.2 | 53 | 0 | 0 | 0 | 0 | 118.9 | | |
| 959 | P | 26 | Very low | 26.6 | Very low | 132 Ų | 132 | 129 Ų | 129 | 86% | 0.857 | 74% | 0.737 | S | S | * | * | | | trans | -65.5 | 148.6 | 146.7 | 32.4 | -34.3 | 0 | 0 | 0 | 109.8 | | |
| 960 | S | 24.2 | Very low | 26.5 | Very low | 99 Ų | 99 | 130 Ų | 130 | 69% | 0.692 | 74% | 0.744 | S | S | * | * | | | trans | -147.1 | 126.2 | 166.6 | 59 | 0 | 0 | 0 | 0 | 109 | | |
| 961 | N | 26.3 | Very low | 26.7 | Very low | 145 Ų | 145 | 129.8 Ų | 129.8 | 78% | 0.775 | 75% | 0.75 | S | S | * | * | | | trans | 32.6 | 118.2 | 154.1 | -53.7 | -1.5 | 0 | 0 | 0 | 116.9 | | |
| 962 | E | 31.3 | Very low | 26.8 | Very low | 192 Ų | 192 | 132.2 Ų | 132.2 | 90% | 0.897 | 76% | 0.761 | S | S | * | * | | | | -157 | 164 | 68.3 | -107.7 | 138.4 | -141.3 | 0 | 0 | 113.7 | | |
| 963 | K | 27.3 | Very low | 26.9 | Very low | 123 Ų | 123 | 131.2 Ų | 131.2 | 54% | 0.535 | 76% | 0.759 | S | S | . | * | | | trans | -99.6 | 172.9 | 175.1 | -111.2 | -177 | 179.1 | 175.7 | 0 | 109.9 | D1052 | K963-D1052 IonicContact NZ-OD2 3.16Å; K963-D1052 PolarHBondContact NZ-OD2 3.42Å |
| 964 | P | 35 | Very low | 26.6 | Very low | 98 Ų | 98 | 134 Ų | 134 | 64% | 0.636 | 77% | 0.769 | S | S | * | * | | | trans | -84.4 | 169.2 | -149.6 | 34.8 | -39.9 | 0 | 0 | 0 | 115.6 | | |
| 965 | L | 27.2 | Very low | 26.8 | Very low | 172 Ų | 172 | 133.6 Ų | 133.6 | 90% | 0.901 | 77% | 0.772 | S | S | * | * | | | trans | -135.8 | 140.5 | 154.9 | -167.3 | 65.1 | 0 | 0 | 0 | 110.5 | | |
| 966 | C | 22.1 | Very low | 26.9 | Very low | 102 Ų | 102 | 134.2 Ų | 134.2 | 69% | 0.689 | 77% | 0.77 | S | S | * | * | | | trans | -85.4 | 152.2 | -174.4 | -54.8 | 0 | 0 | 0 | 0 | 112.6 | | |
| 967 | I | 32.8 | Very low | 27.3 | Very low | 173 Ų | 173 | 134.9 Ų | 134.9 | 89% | 0.887 | 77% | 0.774 | S | S | * | * | | | trans | -126.9 | 121.9 | 152.1 | -62.9 | -177.8 | 0 | 0 | 0 | 107.7 | | |
| 968 | T | 24.5 | Very low | 27.6 | Very low | 113 Ų | 113 | 135.4 Ų | 135.4 | 69% | 0.693 | 78% | 0.778 | S | S | * | * | | | trans | -103.1 | 170.4 | -179.5 | -43.8 | 0 | 0 | 0 | 0 | 109.8 | | |
| 969 | S | 24.9 | Very low | 28.1 | Very low | 108 Ų | 108 | 137.8 Ų | 137.8 | 76% | 0.755 | 79% | 0.787 | S | S | * | * | | | trans | 79.2 | 123.4 | 159.7 | -55.3 | 0 | 0 | 0 | 0 | 117.7 | | |
| 970 | S | 25.3 | Very low | 28.2 | Very low | 115 Ų | 115 | 138.3 Ų | 138.3 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | | | trans | -76.6 | 149.8 | 161.7 | 47.7 | 0 | 0 | 0 | 0 | 111.2 | | |
| 971 | T | 29.4 | Very low | 28.7 | Very low | 144 Ų | 144 | 143.7 Ų | 143.7 | 88% | 0.883 | 79% | 0.793 | S | S | * | * | | | trans | -158.4 | 154.7 | 150 | -7.6 | 0 | 0 | 0 | 0 | 110.3 | | |
| 972 | V | 24.8 | Very low | 28.6 | Very low | 133 Ų | 133 | 144.8 Ų | 144.8 | 81% | 0.806 | 80% | 0.798 | S | S | * | * | | | trans | -105.2 | 134.9 | -174 | 179.9 | 0 | 0 | 0 | 0 | 110.1 | | |
| 973 | C | 26.9 | Very low | 28.6 | Very low | 122 Ų | 122 | 144.1 Ų | 144.1 | 82% | 0.824 | 80% | 0.795 | S | S | * | * | | | trans | -148.5 | 135.2 | 158.1 | -93.7 | 0 | 0 | 0 | 0 | 110.4 | | |
| 974 | L | 24.7 | Very low | 28.9 | Very low | 168 Ų | 168 | 145.6 Ų | 145.6 | 88% | 0.88 | 81% | 0.809 | S | S | * | * | | | trans | -95.8 | 138.2 | 165.9 | -66.7 | 168.9 | 0 | 0 | 0 | 108.2 | | |
| 975 | T | 29.6 | Very low | 28.5 | Very low | 127 Ų | 127 | 145.3 Ų | 145.3 | 78% | 0.779 | 81% | 0.809 | S | S | * | * | | | trans | -124.9 | 92.7 | 171.8 | 33.9 | 0 | 0 | 0 | 0 | 111.1 | T977 | T975-T977 PolarHBondContact O-N 3.44Š|
| 976 | E | 28.8 | Very low | 28.7 | Very low | 181 Ų | 181 | 145.6 Ų | 145.6 | 85% | 0.846 | 80% | 0.803 | S | S | * | * | | | trans | -57.4 | 130.8 | 162.8 | -174.7 | 179.1 | 172.5 | 0 | 0 | 109.5 | | |
| 977 | T | 33.3 | Very low | 29.1 | Very low | 129 Ų | 129 | 148 Ų | 148 | 79% | 0.791 | 81% | 0.81 | S | S | * | * | | | trans | -118 | 124.7 | 178.4 | -59.3 | 0 | 0 | 0 | 0 | 109.4 | T975 | T975-T977 PolarHBondContact O-N 3.44Š|
| 978 | H | 30.4 | Very low | 28.9 | Very low | 151 Ų | 151 | 149.2 Ų | 149.2 | 70% | 0.699 | 81% | 0.808 | S | S | * | * | | | trans | -67 | 141 | -176.3 | -54.8 | -71.3 | 0 | 0 | 0 | 112.7 | | |
| 979 | D | 35.1 | Very low | 29.1 | Very low | 166 Ų | 166 | 153.1 Ų | 153.1 | 89% | 0.888 | 82% | 0.815 | S | S | * | * | | | trans | -137.7 | 110.5 | 151.1 | -141.6 | -20.5 | 0 | 0 | 0 | 110.1 | | |
| 980 | N | 27.9 | Very low | 29.2 | Very low | 143 Ų | 143 | 155.4 Ų | 155.4 | 77% | 0.765 | 82% | 0.819 | S | S | * | * | | | trans | -95 | 109.4 | -170.6 | -86.7 | -64.9 | 0 | 0 | 0 | 110.9 | | |
| 981 | K | 34.4 | Very low | 29.5 | Very low | 212 Ų | 212 | 156.4 Ų | 156.4 | 92% | 0.922 | 82% | 0.82 | S | S | * | * | | | trans | -137.9 | 88.6 | 166.8 | -144.5 | 171.5 | -170.9 | 176.6 | 0 | 114 | | |
| 982 | L | 25.7 | Very low | 29.3 | Very low | 168 Ų | 168 | 157.7 Ų | 157.7 | 88% | 0.88 | 82% | 0.821 | S | S | * | * | | | trans | -86.6 | 112.3 | 178.4 | 179.5 | 145.6 | 0 | 0 | 0 | 111.2 | | |
| 983 | Q | 30.8 | Very low | 29.3 | Very low | 179 Ų | 179 | 155.2 Ų | 155.2 | 84% | 0.836 | 81% | 0.809 | S | S | * | * | | | trans | -163.2 | 157.9 | 157.4 | -123.6 | 161.3 | 59.6 | 0 | 0 | 113.6 | | |
| 984 | D | 32.9 | Very low | 29.4 | Very low | 153 Ų | 153 | 157.2 Ų | 157.2 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | | | trans | 54.2 | 85.8 | 170.8 | -73.6 | 7.2 | 0 | 0 | 0 | 120.6 | | |
| 985 | S | 26.8 | Very low | 29.5 | Very low | 93 Ų | 93 | 156.3 Ų | 156.3 | 65% | 0.65 | 80% | 0.801 | S | S | * | * | | | trans | -57.6 | 164.5 | 155.6 | 67.1 | 0 | 0 | 0 | 0 | 114.8 | | |
| 986 | K | 31.9 | Very low | 29.6 | Very low | 178 Ų | 178 | 157.9 Ų | 157.9 | 77% | 0.774 | 80% | 0.803 | S | S | * | * | | | trans | 80.2 | 93.8 | 163 | -54 | 159.7 | -171.9 | 168.8 | 0 | 116.3 | | |
| 987 | N | 30.6 | Very low | 29.6 | Very low | 153 Ų | 153 | 154.1 Ų | 154.1 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | | | | -167.2 | 135.5 | 97.7 | -95.8 | -50.1 | 0 | 0 | 0 | 112.6 | | |
| 988 | K | 29.3 | Very low | 29.4 | Very low | 198 Ų | 198 | 154.2 Ų | 154.2 | 86% | 0.861 | 79% | 0.785 | S | S | * | * | | | trans | -3.6 | 124.7 | 164.4 | -58.9 | 168.1 | 179.8 | 173.2 | 0 | 115 | | |
| 989 | K | 27 | Very low | 29.3 | Very low | 194 Ų | 194 | 153.9 Ų | 153.9 | 84% | 0.843 | 79% | 0.787 | S | S | * | * | | | | -170.3 | 88.5 | 62.8 | -175.9 | -166.9 | 176 | -170.3 | 0 | 112.6 | | |
| 990 | D | 28.5 | Very low | 29.1 | Very low | 157 Ų | 157 | 154.5 Ų | 154.5 | 84% | 0.84 | 79% | 0.785 | S | S | * | * | | | trans | -80.8 | 126.4 | 164.9 | -47.7 | -77.8 | 0 | 0 | 0 | 110.8 | | |
| 991 | V | 29.9 | Very low | 29.3 | Very low | 136 Ų | 136 | 155 Ų | 155 | 82% | 0.824 | 79% | 0.788 | S | S | * | * | | | trans | -146 | 115.5 | 136.5 | 178.5 | 0 | 0 | 0 | 0 | 106.7 | | |
| 992 | L | 25.3 | Very low | 29.1 | Very low | 171 Ų | 171 | 150.1 Ų | 150.1 | 90% | 0.895 | 78% | 0.78 | S | S | * | * | | | trans | -90.2 | 132.3 | 172 | 178.4 | 75 | 0 | 0 | 0 | 109.1 | | |
| 993 | S | 26.1 | Very low | 29.4 | Very low | 80 Ų | 80 | 149.3 Ų | 149.3 | 56% | 0.559 | 78% | 0.777 | S | S | * | * | | | trans | -160.8 | 100.7 | 166.6 | 60.2 | 0 | 0 | 0 | 0 | 112.5 | | |
| 994 | H | 27.8 | Very low | 29.5 | Very low | 164 Ų | 164 | 148.8 Ų | 148.8 | 76% | 0.759 | 77% | 0.774 | S | S | * | * | | | trans | 64.2 | 123.6 | 158.4 | -38.5 | -46.3 | 0 | 0 | 0 | 115.4 | | |
| 995 | L | 26.5 | Very low | 29.4 | Very low | 149 Ų | 149 | 148.3 Ų | 148.3 | 78% | 0.78 | 78% | 0.776 | S | S | * | * | | | cis | 52.2 | 69.1 | 28.3 | -154.3 | 83.5 | 0 | 0 | 0 | 113.1 | | |
| 996 | I | 32.3 | Very low | 29.7 | Very low | 160 Ų | 160 | 147.2 Ų | 147.2 | 82% | 0.821 | 78% | 0.78 | S | S | * | * | | | trans | -115 | 116.6 | 141.9 | -72.6 | 178.2 | 0 | 0 | 0 | 105.8 | | |
| 997 | D | 29.7 | Very low | 29.4 | Very low | 103 Ų | 103 | 146.3 Ų | 146.3 | 55% | 0.551 | 78% | 0.782 | S | S | * | * | | | trans | -59.2 | 162 | 167.3 | -57.5 | -84.3 | 0 | 0 | 0 | 111.7 | | |
| 998 | N | 28.3 | Very low | 29.1 | Very low | 130 Ų | 130 | 145 Ų | 145 | 70% | 0.695 | 78% | 0.784 | S | S | * | * | | | cis | -165.9 | -179.8 | -20.8 | -93.9 | -27.9 | 0 | 0 | 0 | 105.3 | | |
| 999 | L | 28.4 | Very low | 28.7 | Very low | 144 Ų | 144 | 143.2 Ų | 143.2 | 75% | 0.754 | 78% | 0.783 | S | S | * | * | | | trans | 69.7 | 93.6 | 178.8 | -46.8 | 176.8 | 0 | 0 | 0 | 112.3 | | |
| 1000 | E | 31.9 | Very low | 28.7 | Very low | 180 Ų | 180 | 140.4 Ų | 140.4 | 84% | 0.841 | 78% | 0.783 | S | S | * | * | | | | 76.2 | 122 | 64 | -64.5 | 174.3 | 144.9 | 0 | 0 | 113.8 | | |
| 1001 | D | 31.7 | Very low | 28.5 | Very low | 154 Ų | 154 | 138.8 Ų | 138.8 | 82% | 0.824 | 78% | 0.784 | S | S | * | * | | | trans | -156.8 | 115.9 | 143 | -152 | -13 | 0 | 0 | 0 | 108.5 | | |
| 1002 | S | 30 | Very low | 28.1 | Very low | 109 Ų | 109 | 139.9 Ų | 139.9 | 76% | 0.762 | 78% | 0.784 | S | S | * | * | | | trans | -172 | 84.5 | -178.8 | -80.4 | 0 | 0 | 0 | 0 | 113.7 | | |
| 1003 | D | 32.7 | Very low | 28.1 | Very low | 151 Ų | 151 | 137.7 Ų | 137.7 | 81% | 0.807 | 78% | 0.778 | S | S | * | * | | | trans | -108 | 118.2 | 154.4 | -83 | -43.9 | 0 | 0 | 0 | 109.3 | | |
| 1004 | H | 31.5 | Very low | 28.3 | Very low | 167 Ų | 167 | 139.2 Ų | 139.2 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | | | | 72.9 | 106.7 | 76.9 | -87 | 99.7 | 0 | 0 | 0 | 115.2 | | |
| 1005 | V | 32.2 | Very low | 28.3 | Very low | 143 Ų | 143 | 136 Ų | 136 | 87% | 0.867 | 78% | 0.782 | S | S | * | * | | | trans | -127.6 | 115.7 | 155 | 176.5 | 0 | 0 | 0 | 0 | 107.1 | | |
| 1006 | G | 31.9 | Very low | 28.6 | Very low | 70 Ų | 70 | 136.2 Ų | 136.2 | 72% | 0.722 | 78% | 0.779 | S | S | * | * | | | trans | -113.6 | 151.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 1007 | I | 26 | Very low | 28.6 | Very low | 159 Ų | 159 | 134.1 Ų | 134.1 | 82% | 0.815 | 77% | 0.774 | S | S | * | * | | | trans | -141.6 | 107.2 | 179.2 | -41.9 | 172.5 | 0 | 0 | 0 | 109.8 | | |
| 1008 | S | 24.4 | Very low | 28.6 | Very low | 125 Ų | 125 | 132.1 Ų | 132.1 | 87% | 0.874 | 78% | 0.777 | S | S | * | * | | | trans | -172.6 | 155.4 | 159.1 | -84.5 | 0 | 0 | 0 | 0 | 110.9 | | |
| 1009 | L | 21.1 | Very low | 29 | Very low | 161 Ų | 161 | 129.5 Ų | 129.5 | 84% | 0.843 | 77% | 0.766 | S | S | * | * | | | trans | -113 | 163.2 | 178.5 | -75.9 | 164.3 | 0 | 0 | 0 | 111 | | |
| 1010 | T | 26.7 | Very low | 29.3 | Very low | 135 Ų | 135 | 132.2 Ų | 132.2 | 83% | 0.828 | 77% | 0.768 | S | S | * | * | | | trans | 57.1 | 95.2 | 165.7 | 53.6 | 0 | 0 | 0 | 0 | 117.6 | | |
| 1011 | S | 23.9 | Very low | 30.1 | Very low | 124 Ų | 124 | 130.2 Ų | 130.2 | 87% | 0.867 | 76% | 0.761 | S | S | * | * | | | | -176.2 | 166.8 | 122.5 | 41 | 0 | 0 | 0 | 0 | 112.4 | | |
| 1012 | L | 22.3 | Very low | 31 | Very low | 159 Ų | 159 | 129.7 Ų | 129.7 | 83% | 0.832 | 76% | 0.758 | S | S | * | * | | | trans | -44.2 | 129.1 | -173 | -59.7 | 160 | 0 | 0 | 0 | 116.2 | | |
| 1013 | T | 24.5 | Very low | 32.7 | Very low | 125 Ų | 125 | 132.5 Ų | 132.5 | 77% | 0.767 | 76% | 0.764 | S | S | * | * | | | trans | 39 | 105.1 | 148.9 | 56.1 | 0 | 0 | 0 | 0 | 118.1 | | |
| 1014 | P | 30.2 | Very low | 34.2 | Very low | 111 Ų | 111 | 127.6 Ų | 127.6 | 72% | 0.721 | 74% | 0.737 | S | S | * | * | | | | -104.8 | 145.9 | 91.6 | -14.7 | 31.6 | 0 | 0 | 0 | 111.2 | | |
| 1015 | S | 27.9 | Very low | 35.7 | Very low | 97 Ų | 97 | 125.5 Ų | 125.5 | 68% | 0.678 | 73% | 0.732 | S | S | * | * | | | cis | 77.8 | 143.2 | 41.5 | -164.4 | 0 | 0 | 0 | 0 | 114 | | |
| 1016 | H | 34.3 | Very low | 37.5 | Very low | 154 Ų | 154 | 125.2 Ų | 125.2 | 71% | 0.713 | 73% | 0.726 | S | S | * | * | | | trans | 57.5 | 86.8 | 177.5 | 39 | -80 | 0 | 0 | 0 | 118.9 | | |
| 1017 | T | 32.1 | Very low | 39.3 | Very low | 116 Ų | 116 | 126.3 Ų | 126.3 | 71% | 0.712 | 72% | 0.718 | S | S | * | * | | | | 49.6 | 78.1 | 125.8 | -43.1 | 0 | 0 | 0 | 0 | 118 | | |
| 1018 | G | 29 | Very low | 41 | Very low | 61 Ų | 61 | 122.1 Ų | 122.1 | 63% | 0.629 | 70% | 0.697 | S | S | * | * | | | trans | -75.3 | 132 | 162 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 1019 | T | 36.1 | Very low | 42.7 | Very low | 74 Ų | 74 | 120.8 Ų | 120.8 | 45% | 0.454 | 68% | 0.679 | S | S | . | * | | | trans | -88.9 | 124.9 | 172.2 | -61.3 | 0 | 0 | 0 | 0 | 109.2 | I1021 I1037 | T1019-I1021 PolarHBondContact O-N 2.68Å; T1019-I1037 HydrophobicContact CG2-CG2 3.93Å |
| 1020 | Y | 35.3 | Very low | 44.6 | Very low | 202 Ų | 202 | 117.3 Ų | 117.3 | 79% | 0.792 | 67% | 0.674 | S | S | * | * | | | trans | -76 | 114.4 | -178.3 | -60.7 | -82.8 | 0 | 0 | 0 | 111.3 | | |
| 1021 | I | 49 | Very low | 46.2 | Very low | 138 Ų | 138 | 117.5 Ų | 117.5 | 71% | 0.708 | 67% | 0.665 | S | S | * | * | | | trans | -92.1 | 116 | 162.6 | -58.1 | 174.4 | 0 | 0 | 0 | 106 | T1019 | T1019-I1021 PolarHBondContact O-N 2.68Š|
| 1022 | L | 50.3 | Low | 47.3 | Very low | 142 Ų | 142 | 114.4 Ų | 114.4 | 74% | 0.743 | 65% | 0.653 | S | S | * | * | | | trans | -75.1 | 125.3 | 170.1 | -70 | 172.3 | 0 | 0 | 0 | 108.1 | I1024 | L1022-I1024 PolarHBondContact O-N 3.34Š|
| 1023 | D | 64.8 | Low | 48.9 | Very low | 168 Ų | 168 | 110.3 Ų | 110.3 | 90% | 0.898 | 63% | 0.634 | S | S | * | * | | | trans | -70.1 | 122.8 | 177.6 | -148.6 | 2.4 | 0 | 0 | 0 | 108.4 | | |
| 1024 | I | 65.4 | Low | 50.3 | Low | 48 Ų | 48 | 111.3 Ų | 111.3 | 25% | 0.246 | 63% | 0.634 | C | S | . | * | | | trans | -112.9 | 121.8 | -173.4 | -72.5 | 178.2 | 0 | 0 | 0 | 107.6 | L1022 L1028 I1029 P1035 | L1022-I1024 PolarHBondContact O-N 3.34Å; I1024-L1028 HydrophobicContact CG2-CB 3.49Å; I1024-L1028 VanDerWaalsContact CG2-CB 3.49Å; I1024-L1028 HydrophobicContact CG2-CD1 3.93Å; I1024-L1028 HydrophobicContact CG2-CG 4.35Å; I1024-I1029 HydrophobicContact CG2-CG1 4.25Å; I1024-I1029 WeakPolarHBondContact O-CD1 3.37Å; I1024-P1035 HydrophobicContact CD1-CB 4.14Å |
| 1025 | D | 62.3 | Low | 51.3 | Low | 123 Ų | 123 | 109.6 Ų | 109.6 | 66% | 0.658 | 62% | 0.623 | S | S | * | * | | | trans | -49.8 | 142.7 | -178.6 | -80.1 | -45 | 0 | 0 | 0 | 112.8 | T1027 L1028 I1029 | D1025-T1027 WeakPolarHBondContact CB-OG1 3.48Å; D1025-T1027 PolarHBondContact O-N 2.98Å; D1025-L1028 PolarHBondContact O-N 3.04Å; D1025-I1029 PolarHBondContact O-N 3.41Å |
| 1026 | D | 69.5 | Low | 52.2 | Low | 138 Ų | 138 | 110.9 Ų | 110.9 | 74% | 0.738 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -47.9 | -26.7 | 178 | -83.1 | -34.1 | 0 | 0 | 0 | 113.6 | A1030 | D1026-A1030 WeakPolarHBondContact O-CB 3.29Å; D1026-A1030 PolarHBondContact O-N 3.27Å |
| 1027 | T | 70.9 | Confident | 52.8 | Low | 92 Ų | 92 | 109.6 Ų | 109.6 | 56% | 0.564 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -64.8 | -41.1 | 176.5 | 48.4 | 0 | 0 | 0 | 0 | 113.2 | D1025 A1030 Q1031 | D1025-T1027 WeakPolarHBondContact CB-OG1 3.48Å; D1025-T1027 PolarHBondContact O-N 2.98Å; T1027-A1030 PolarHBondContact O-N 3.5Å; T1027-Q1031 WeakPolarHBondContact O-CG 3.37Å; T1027-Q1031 PolarHBondContact O-N 3.37Å; T1027-Q1031 VanDerWaalsContact O-N 3.17Å |
| 1028 | L | 61.3 | Low | 53 | Low | 71 Ų | 71 | 110.6 Ų | 110.6 | 37% | 0.372 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -78.9 | -34.3 | 178.8 | -72.1 | 170.4 | 0 | 0 | 0 | 111.3 | I1024 D1025 A1030 Q1031 G1032 V1033 | I1024-L1028 HydrophobicContact CG2-CB 3.49Å; I1024-L1028 VanDerWaalsContact CG2-CB 3.49Å; I1024-L1028 HydrophobicContact CG2-CD1 3.93Å; I1024-L1028 HydrophobicContact CG2-CG 4.35Å; D1025-L1028 PolarHBondContact O-N 3.04Å; L1028-A1030 VanDerWaalsContact C-N 3.31Å; L1028-A1030 PolarHBondContact O-N 3.22Å; L1028-Q1031 WeakPolarHBondContact O-CB 3.41Å; L1028-Q1031 PolarHBondContact O-N 3.42Å; L1028-Q1031 VanDerWaalsContact O-N 3.13Å; L1028-G1032 PolarHBondContact O-N 2.93Å; L1028-V1033 PolarHBondContact O-N 3.5Å |
| 1029 | I | 60.8 | Low | 53.3 | Low | 97 Ų | 97 | 116.7 Ų | 116.7 | 50% | 0.497 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -61.1 | -42.4 | 169.1 | -57.2 | 179.2 | 0 | 0 | 0 | 110 | I1024 D1025 Q1031 G1032 | I1024-I1029 HydrophobicContact CG2-CG1 4.25Å; I1024-I1029 WeakPolarHBondContact O-CD1 3.37Å; D1025-I1029 PolarHBondContact O-N 3.41Å; I1029-Q1031 VanDerWaalsContact C-N 3.26Å; I1029-Q1031 PolarHBondContact O-N 2.95Å; I1029-G1032 PolarHBondContact O-N 2.93Å |
| 1030 | A | 60 | Low | 53.3 | Low | 88 Ų | 88 | 117 Ų | 117 | 73% | 0.727 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -67.1 | -22 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114 | D1026 T1027 L1028 G1032 | D1026-A1030 WeakPolarHBondContact O-CB 3.29Å; D1026-A1030 PolarHBondContact O-N 3.27Å; T1027-A1030 PolarHBondContact O-N 3.5Å; L1028-A1030 VanDerWaalsContact C-N 3.31Å; L1028-A1030 PolarHBondContact O-N 3.22Å; A1030-G1032 VanDerWaalsContact C-N 3.3Å |
| 1031 | Q | 61 | Low | 53.2 | Low | 140 Ų | 140 | 114.8 Ų | 114.8 | 65% | 0.654 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.2 | -7.7 | 169.4 | -70.3 | 176.4 | 9.8 | 0 | 0 | 113.2 | T1027 L1028 I1029 | T1027-Q1031 WeakPolarHBondContact O-CG 3.37Å; T1027-Q1031 PolarHBondContact O-N 3.37Å; T1027-Q1031 VanDerWaalsContact O-N 3.17Å; L1028-Q1031 WeakPolarHBondContact O-CB 3.41Å; L1028-Q1031 PolarHBondContact O-N 3.42Å; L1028-Q1031 VanDerWaalsContact O-N 3.13Å; I1029-Q1031 VanDerWaalsContact C-N 3.26Å; I1029-Q1031 PolarHBondContact O-N 2.95Å |
| 1032 | G | 47.1 | Very low | 52.4 | Low | 59 Ų | 59 | 115.8 Ų | 115.8 | 61% | 0.608 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 85.4 | 15.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | L1028 I1029 A1030 L1034 | L1028-G1032 PolarHBondContact O-N 2.93Å; I1029-G1032 PolarHBondContact O-N 2.93Å; A1030-G1032 VanDerWaalsContact C-N 3.3Å; G1032-L1034 PolarHBondContact O-N 2.97Å |
| 1033 | V | 55.2 | Low | 51.7 | Low | 72 Ų | 72 | 115.3 Ų | 115.3 | 44% | 0.436 | 63% | 0.634 | S | S | . | * | | | trans | -76.6 | 111.8 | 172.1 | -176 | 0 | 0 | 0 | 0 | 108.5 | L1028 | L1028-V1033 PolarHBondContact O-N 3.5Š|
| 1034 | L | 53.4 | Low | 50.1 | Low | 146 Ų | 146 | 114.6 Ų | 114.6 | 76% | 0.764 | 63% | 0.629 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 141.2 | 175.7 | -70.3 | 172.8 | 0 | 0 | 0 | 110.7 | G1032 | G1032-L1034 PolarHBondContact O-N 2.97Š|
| 1035 | P | 52.3 | Low | 48.2 | Very low | 75 Ų | 75 | 117.3 Ų | 117.3 | 49% | 0.487 | 66% | 0.659 | S | S | . | * | P | Polyproline II helix | trans | -64.9 | 136.1 | -176.5 | 25.2 | -34.1 | 0 | 0 | 0 | 112.4 | I1024 | I1024-P1035 HydrophobicContact CD1-CB 4.14Š|
| 1036 | V | 45.6 | Very low | 46.5 | Very low | 125 Ų | 125 | 117 Ų | 117 | 76% | 0.758 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -93.1 | 121.2 | 179.8 | 178 | 0 | 0 | 0 | 0 | 110 | I1038 | V1036-I1038 HydrophobicContact CG1-CG1 4.41Š|
| 1037 | I | 47.3 | Very low | 44.3 | Very low | 126 Ų | 126 | 116 Ų | 116 | 65% | 0.646 | 67% | 0.67 | S | S | * | * | | | trans | -87.8 | 114.4 | 179.2 | -57.6 | 172.9 | 0 | 0 | 0 | 109.6 | T1019 | T1019-I1037 HydrophobicContact CG2-CG2 3.93Š|
| 1038 | I | 37.6 | Very low | 42.2 | Very low | 138 Ų | 138 | 117.4 Ų | 117.4 | 71% | 0.708 | 68% | 0.678 | S | S | * | * | | | trans | -100.1 | 115.6 | 174.8 | -56.7 | 178.5 | 0 | 0 | 0 | 109 | V1036 | V1036-I1038 HydrophobicContact CG1-CG1 4.41Š|
| 1039 | R | 33.6 | Very low | 40.6 | Very low | 189 Ų | 189 | 118.5 Ų | 118.5 | 71% | 0.713 | 69% | 0.688 | S | S | * | * | | | trans | -91.8 | 121.4 | 172.1 | -86.4 | -175.2 | 170 | 142.3 | -0.7 | 111.1 | | |
| 1040 | S | 37.8 | Very low | 39 | Very low | 80 Ų | 80 | 118.5 Ų | 118.5 | 56% | 0.559 | 69% | 0.692 | S | S | * | * | | | trans | -76.5 | 123.1 | 162.3 | 42.8 | 0 | 0 | 0 | 0 | 110.3 | | |
| 1041 | H | 32 | Very low | 37.7 | Very low | 156 Ų | 156 | 121.7 Ų | 121.7 | 72% | 0.722 | 70% | 0.696 | S | S | * | * | | | trans | -102.4 | 88.2 | 175 | -82.8 | -94.5 | 0 | 0 | 0 | 110.5 | T1043 | H1041-T1043 PolarHBondContact O-N 3.47Å; H1041-T1043 VanDerWaalsContact O-N 3.14Å |
| 1042 | E | 33.3 | Very low | 36.3 | Very low | 158 Ų | 158 | 121 Ų | 121 | 74% | 0.738 | 70% | 0.697 | S | S | * | * | | | trans | -77.1 | 93.4 | 173.7 | -70.4 | 174.8 | -152.9 | 0 | 0 | 110.6 | | |
| 1043 | T | 35.5 | Very low | 35.5 | Very low | 133 Ų | 133 | 123.8 Ų | 123.8 | 82% | 0.816 | 71% | 0.707 | S | S | * | * | | | trans | -90.8 | 103.3 | 171.4 | -51.3 | 0 | 0 | 0 | 0 | 108.7 | H1041 | H1041-T1043 PolarHBondContact O-N 3.47Å; H1041-T1043 VanDerWaalsContact O-N 3.14Å |
| 1044 | L | 29.9 | Very low | 34.1 | Very low | 153 Ų | 153 | 123.7 Ų | 123.7 | 80% | 0.801 | 72% | 0.72 | S | S | * | * | | | trans | -66.3 | 148.8 | -173.6 | -70 | 170 | 0 | 0 | 0 | 112.9 | | |
| 1045 | A | 24.9 | Very low | 32.9 | Very low | 105 Ų | 105 | 125.1 Ų | 125.1 | 87% | 0.868 | 73% | 0.728 | S | S | * | * | | | trans | -65.6 | 144.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 1046 | S | 26.9 | Very low | 31.7 | Very low | 116 Ų | 116 | 129.3 Ų | 129.3 | 81% | 0.811 | 75% | 0.746 | S | S | * | * | | | trans | -144.7 | 125.3 | 160.9 | -161.3 | 0 | 0 | 0 | 0 | 109.6 | | |
| 1047 | S | 24.1 | Very low | 31.1 | Very low | 118 Ų | 118 | 131.4 Ų | 131.4 | 83% | 0.825 | 75% | 0.751 | S | S | * | * | | | trans | -113.4 | 111.5 | -168.8 | 55 | 0 | 0 | 0 | 0 | 111.2 | | |
| 1048 | V | 26.3 | Very low | 30.1 | Very low | 120 Ų | 120 | 134.4 Ų | 134.4 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | | | trans | -138 | 104.8 | -175.2 | 178.6 | 0 | 0 | 0 | 0 | 113 | | |
| 1049 | T | 27.8 | Very low | 29.7 | Very low | 94 Ų | 94 | 132.5 Ų | 132.5 | 58% | 0.577 | 76% | 0.761 | S | S | * | * | | | trans | 39 | 112.6 | 146.5 | 64.6 | 0 | 0 | 0 | 0 | 123.2 | | |
| 1050 | T | 27.2 | Very low | 29.5 | Very low | 97 Ų | 97 | 128 Ų | 128 | 60% | 0.595 | 76% | 0.764 | S | S | * | * | | | | 23.3 | 126.4 | 123.7 | 51.6 | 0 | 0 | 0 | 0 | 122.1 | | |
| 1051 | I | 32.1 | Very low | 28.8 | Very low | 156 Ų | 156 | 132.5 Ų | 132.5 | 80% | 0.8 | 78% | 0.779 | S | S | * | * | | | trans | -131.5 | 145.4 | 152.2 | -63.8 | -178.4 | 0 | 0 | 0 | 108.7 | | |
| 1052 | D | 31.6 | Very low | 28.5 | Very low | 125 Ų | 125 | 132.4 Ų | 132.4 | 67% | 0.668 | 78% | 0.784 | S | S | * | * | | | trans | -123.3 | 119.7 | 179.8 | -60.1 | -87.1 | 0 | 0 | 0 | 110.5 | K963 | K963-D1052 IonicContact NZ-OD2 3.16Å; K963-D1052 PolarHBondContact NZ-OD2 3.42Å |
| 1053 | S | 31.5 | Very low | 28.3 | Very low | 118 Ų | 118 | 130.5 Ų | 130.5 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | | | trans | 179.4 | 142.8 | 165 | 54 | 0 | 0 | 0 | 0 | 109.2 | | |
| 1054 | G | 25.7 | Very low | 27.9 | Very low | 69 Ų | 69 | 133 Ų | 133 | 71% | 0.711 | 79% | 0.785 | S | S | * | * | | | cis | 153.5 | 153.6 | -1.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 1055 | L | 27.4 | Very low | 27.7 | Very low | 177 Ų | 177 | 129.1 Ų | 129.1 | 93% | 0.927 | 78% | 0.782 | S | S | * | * | | | trans | 69.6 | 118.3 | 173.3 | -61.8 | 168.3 | 0 | 0 | 0 | 118.7 | | |
| 1056 | N | 27.1 | Very low | 27.8 | Very low | 163 Ų | 163 | 130.4 Ų | 130.4 | 87% | 0.872 | 78% | 0.779 | S | S | * | * | | | trans | -68.1 | 155 | 150.3 | -101.6 | -20.7 | 0 | 0 | 0 | 110 | | |
| 1057 | I | 34 | Very low | 27.9 | Very low | 169 Ų | 169 | 132.4 Ų | 132.4 | 87% | 0.867 | 78% | 0.778 | S | S | * | * | | | trans | -113.7 | 144.6 | 159.7 | -67.9 | 179.4 | 0 | 0 | 0 | 108.6 | | |
| 1058 | E | 25.9 | Very low | 27.9 | Very low | 188 Ų | 188 | 132 Ų | 132 | 88% | 0.879 | 77% | 0.771 | S | S | * | * | | | trans | -94 | 168.4 | -159.5 | -163 | 167.6 | -166.6 | 0 | 0 | 114.1 | | |
| 1059 | S | 28.2 | Very low | 28 | Very low | 98 Ų | 98 | 134.2 Ų | 134.2 | 69% | 0.685 | 77% | 0.773 | S | S | * | * | | | trans | -79.5 | 143.2 | -171.1 | 92.4 | 0 | 0 | 0 | 0 | 114.8 | | |
| 1060 | A | 30.4 | Very low | 27.9 | Very low | 94 Ų | 94 | 136.1 Ų | 136.1 | 78% | 0.777 | 78% | 0.78 | S | S | * | * | | | trans | -147.8 | 122.6 | 143.5 | 0 | 0 | 0 | 0 | 0 | 106.9 | | |
| 1061 | M | 22.4 | Very low | 27.9 | Very low | 175 Ų | 175 | 138.4 Ų | 138.4 | 86% | 0.862 | 79% | 0.787 | S | S | * | * | | | cis | 62.7 | 96 | 49 | -59.7 | -149.6 | 135.6 | 0 | 0 | 114.3 | | |
| 1062 | N | 25.4 | Very low | 27.6 | Very low | 154 Ų | 154 | 136.8 Ų | 136.8 | 82% | 0.824 | 79% | 0.785 | S | S | * | * | | | | -168.1 | 164.2 | 111.4 | -151.4 | -2.6 | 0 | 0 | 0 | 113.6 | | |
| 1063 | T | 30.7 | Very low | 27.7 | Very low | 118 Ų | 118 | 136 Ų | 136 | 72% | 0.724 | 79% | 0.786 | S | S | * | * | | | trans | 83 | 125 | 154.2 | -39.8 | 0 | 0 | 0 | 0 | 118.8 | | |
| 1064 | H | 25.4 | Very low | 27.4 | Very low | 187 Ų | 187 | 142.2 Ų | 142.2 | 87% | 0.866 | 79% | 0.792 | S | S | * | * | | | trans | -88.9 | -179.7 | 173.8 | -80.7 | -9.1 | 0 | 0 | 0 | 113 | | |
| 1065 | G | 27.7 | Very low | 27.5 | Very low | 71 Ų | 71 | 142.7 Ų | 142.7 | 73% | 0.732 | 80% | 0.796 | S | S | * | * | | | trans | -68.3 | -161.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 1066 | V | 25.8 | Very low | 27.7 | Very low | 132 Ų | 132 | 139.7 Ų | 139.7 | 80% | 0.8 | 79% | 0.791 | S | S | * | * | | | cis | -150.3 | 144.6 | 24.1 | 173 | 0 | 0 | 0 | 0 | 110.7 | | |
| 1067 | I | 28.4 | Very low | 28.1 | Very low | 157 Ų | 157 | 137.2 Ų | 137.2 | 81% | 0.805 | 78% | 0.783 | S | S | * | * | | | trans | 167.1 | 99.4 | 154.3 | -91.5 | 154.5 | 0 | 0 | 0 | 105.2 | | |
| 1068 | V | 25.7 | Very low | 27.9 | Very low | 109 Ų | 109 | 136.7 Ų | 136.7 | 66% | 0.661 | 78% | 0.78 | S | S | * | * | | | | 102.8 | 141.3 | 80 | 155.5 | 0 | 0 | 0 | 0 | 111.5 | | |
| 1069 | E | 28 | Very low | 27.9 | Very low | 167 Ų | 167 | 132.4 Ų | 132.4 | 78% | 0.78 | 77% | 0.772 | S | S | * | * | | | trans | 73.5 | 111.7 | 166.8 | -82.6 | 162.6 | -138 | 0 | 0 | 123 | | |
| 1070 | N | 25 | Very low | 28 | Very low | 134 Ų | 134 | 135 Ų | 135 | 72% | 0.717 | 77% | 0.77 | S | S | * | * | | | | 78.2 | 111.3 | 124.6 | -80.4 | -18.8 | 0 | 0 | 0 | 124.8 | | |
| 1071 | I | 28 | Very low | 28.3 | Very low | 145 Ų | 145 | 137.5 Ų | 137.5 | 74% | 0.744 | 77% | 0.766 | S | S | * | * | | | trans | 51.6 | 105.4 | 140.2 | 38.3 | 171.4 | 0 | 0 | 0 | 123.2 | | |
| 1072 | T | 25.4 | Very low | 29.1 | Very low | 123 Ų | 123 | 134.8 Ų | 134.8 | 76% | 0.755 | 76% | 0.759 | S | S | * | * | | | | 46.3 | 139 | 100.9 | -49.9 | 0 | 0 | 0 | 0 | 120.2 | | |
| 1073 | P | 34 | Very low | 29.2 | Very low | 108 Ų | 108 | 135.6 Ų | 135.6 | 70% | 0.701 | 76% | 0.763 | S | S | * | * | | | cis | -136.5 | -179.9 | -18.5 | 40.5 | -23 | 0 | 0 | 0 | 116.1 | | |
| 1074 | R | 25.7 | Very low | 29.5 | Very low | 248 Ų | 248 | 140.2 Ų | 140.2 | 94% | 0.936 | 77% | 0.767 | S | S | * | * | | | trans | 33.6 | 110.8 | 149 | -86.2 | -177.1 | 159.3 | 171.3 | -5.7 | 119.8 | | |
| 1075 | G | 26.4 | Very low | 29.6 | Very low | 79 Ų | 79 | 139.9 Ų | 139.9 | 81% | 0.814 | 77% | 0.766 | S | S | * | * | | | trans | -126.9 | 120.1 | 151.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 1076 | S | 31.3 | Very low | 30.2 | Very low | 115 Ų | 115 | 144 Ų | 144 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | | | trans | -107.3 | 165.3 | 156.1 | -57.6 | 0 | 0 | 0 | 0 | 106.4 | | |
| 1077 | P | 36.7 | Very low | 30.6 | Very low | 110 Ų | 110 | 143.2 Ų | 143.2 | 71% | 0.714 | 77% | 0.765 | S | S | * | * | | | cis | -156.4 | -157.8 | 35.4 | 42.3 | -17.7 | 0 | 0 | 0 | 116.6 | | |
| 1078 | I | 28.5 | Very low | 30.7 | Very low | 158 Ų | 158 | 144.3 Ų | 144.3 | 81% | 0.81 | 77% | 0.766 | S | S | * | * | | | trans | 84.4 | 134.9 | 154.8 | -72.6 | 166.6 | 0 | 0 | 0 | 118.5 | | |
| 1079 | S | 27.2 | Very low | 31.2 | Very low | 99 Ų | 99 | 145.8 Ų | 145.8 | 69% | 0.692 | 77% | 0.77 | S | S | * | * | | | trans | -90.3 | 171.5 | 178.7 | 51.1 | 0 | 0 | 0 | 0 | 112.9 | | |
| 1080 | K | 30.4 | Very low | 31.4 | Very low | 152 Ų | 152 | 145.1 Ų | 145.1 | 66% | 0.661 | 77% | 0.772 | S | S | * | * | | | | 179.4 | 138.4 | 121.5 | -99.6 | 172.4 | 167.3 | -72.4 | 0 | 115.1 | | |
| 1081 | E | 36.6 | Very low | 31.9 | Very low | 147 Ų | 147 | 146.1 Ų | 146.1 | 69% | 0.687 | 78% | 0.777 | S | S | * | * | | | trans | 35.7 | 108.6 | 135.7 | -65.2 | 145.2 | -151.2 | 0 | 0 | 120.6 | | |
| 1082 | T | 38.4 | Very low | 32.2 | Very low | 117 Ų | 117 | 146.6 Ų | 146.6 | 72% | 0.718 | 78% | 0.782 | S | S | * | * | | | | -168.5 | 141.6 | 124 | 9.6 | 0 | 0 | 0 | 0 | 112.2 | | |
| 1083 | L | 27.8 | Very low | 32.7 | Very low | 172 Ų | 172 | 149 Ų | 149 | 90% | 0.901 | 79% | 0.79 | S | S | * | * | | | trans | -81 | 138.9 | 164.6 | -74.4 | 110.7 | 0 | 0 | 0 | 109.7 | | |
| 1084 | W | 37.9 | Very low | 32.7 | Very low | 215 Ų | 215 | 152.5 Ų | 152.5 | 81% | 0.814 | 80% | 0.797 | S | S | * | * | | | trans | -118.1 | 122.8 | 175.4 | -78.3 | 95.4 | 0 | 0 | 0 | 111.7 | | |
| 1085 | H | 27.4 | Very low | 33 | Very low | 180 Ų | 180 | 144.9 Ų | 144.9 | 83% | 0.833 | 78% | 0.782 | S | S | * | * | | | trans | -72.1 | 135.6 | 166.4 | -74.2 | -121.3 | 0 | 0 | 0 | 109.7 | | |
| 1086 | I | 39.5 | Very low | 33.6 | Very low | 158 Ų | 158 | 150.2 Ų | 150.2 | 81% | 0.81 | 78% | 0.777 | S | S | * | * | | | trans | -132.7 | 90.9 | 161.1 | -56.8 | -176.4 | 0 | 0 | 0 | 109.8 | | |
| 1087 | V | 34.7 | Very low | 33.7 | Very low | 115 Ų | 115 | 149.6 Ų | 149.6 | 70% | 0.697 | 77% | 0.765 | S | S | * | * | | | trans | 42.2 | 121.3 | 130.4 | -178.7 | 0 | 0 | 0 | 0 | 119.3 | | |
| 1088 | E | 30.1 | Very low | 33.6 | Very low | 179 Ų | 179 | 150 Ų | 150 | 84% | 0.836 | 76% | 0.761 | S | S | * | * | | | trans | -60.6 | 147.3 | 165.9 | -57.8 | 148.6 | 148 | 0 | 0 | 112.4 | | |
| 1089 | N | 36.1 | Very low | 33.9 | Very low | 141 Ų | 141 | 147.5 Ų | 147.5 | 75% | 0.754 | 75% | 0.749 | S | S | * | * | | | trans | -151.7 | 88.8 | 160.8 | -85.2 | -74 | 0 | 0 | 0 | 109.9 | | |
| 1090 | D | 31.8 | Very low | 34.1 | Very low | 152 Ų | 152 | 148.2 Ų | 148.2 | 81% | 0.813 | 75% | 0.745 | S | S | * | * | | | trans | -72.8 | 134.9 | 159.1 | -61.9 | -49.8 | 0 | 0 | 0 | 109.1 | | |
| 1091 | N | 36.2 | Very low | 34.1 | Very low | 155 Ų | 155 | 149.2 Ų | 149.2 | 83% | 0.829 | 76% | 0.757 | S | S | * | * | | | trans | -164.4 | 122.4 | 156.5 | -89.9 | -66.7 | 0 | 0 | 0 | 109.3 | | |
| 1092 | D | 33.5 | Very low | 33.8 | Very low | 156 Ų | 156 | 148 Ų | 148 | 83% | 0.834 | 76% | 0.759 | S | S | * | * | | | trans | -78.1 | 152 | 168.9 | -51.2 | -86.3 | 0 | 0 | 0 | 111.5 | | |
| 1093 | D | 37.6 | Very low | 33.2 | Very low | 172 Ų | 172 | 150 Ų | 150 | 92% | 0.92 | 77% | 0.765 | S | S | * | * | | | trans | -172.7 | 147 | 137 | -114.3 | -26.4 | 0 | 0 | 0 | 112.7 | | |
| 1094 | E | 32.1 | Very low | 33.3 | Very low | 182 Ų | 182 | 147.9 Ų | 147.9 | 85% | 0.85 | 76% | 0.759 | S | S | * | * | | | trans | -93.3 | 163.5 | 176.8 | -64.6 | -168.6 | 148.6 | 0 | 0 | 113.3 | | |
| 1095 | S | 33 | Very low | 32.8 | Very low | 89 Ų | 89 | 143.3 Ų | 143.3 | 62% | 0.622 | 76% | 0.755 | S | S | * | * | | | | 176 | 131.2 | 128.7 | 42.5 | 0 | 0 | 0 | 0 | 119.3 | K1289 | S1095-K1289 PolarHBondContact O-NZ 2.84Å; S1095-K1289 VanDerWaalsContact O-NZ 3.1Å |
| 1096 | R | 37.9 | Very low | 32.7 | Very low | 190 Ų | 190 | 139.5 Ų | 139.5 | 72% | 0.717 | 75% | 0.748 | S | S | * | * | | | trans | 76.1 | 107.6 | 139.2 | -67.5 | 168.6 | 177.7 | 154.6 | 1.9 | 122.4 | K1289 | R1096-K1289 VanDerWaalsContact O-CD 3.31Å; R1096-K1289 WeakPolarHBondContact O-CD 3.16Å; R1096-K1289 VanDerWaalsContact O-CE 3.23Å; R1096-K1289 WeakPolarHBondContact O-CE 3.4Å; R1096-K1289 PolarHBondContact O-NZ 3.36Å |
| 1097 | D | 35 | Very low | 32 | Very low | 103 Ų | 103 | 138.6 Ų | 138.6 | 55% | 0.551 | 75% | 0.745 | S | S | * | * | | | | 62.3 | 153.7 | 106 | -43 | -17.6 | 0 | 0 | 0 | 125.1 | L1290 | D1097-L1290 CarbonylContact C-O 3.57Š|
| 1098 | N | 33.7 | Very low | 31.7 | Very low | 118 Ų | 118 | 142.2 Ų | 142.2 | 63% | 0.631 | 75% | 0.754 | S | S | * | * | | | trans | 81 | 95.7 | 162 | -64.6 | -27.5 | 0 | 0 | 0 | 119.8 | K1289 L1290 | N1098-K1289 CarbonylContact O-C 3.06Å; N1098-L1290 CarbonylContact C-O 3.53Å; N1098-L1290 PolarHBondContact N-O 3.46Å; N1098-L1290 VanDerWaalsContact O-CA 3.27Å; N1098-L1290 WeakPolarHBondContact O-CA 3.35Å; N1098-L1290 PolarHBondContact O-N 3.14Å |
| 1099 | N | 35.9 | Very low | 31.6 | Very low | 105 Ų | 105 | 139.2 Ų | 139.2 | 56% | 0.561 | 75% | 0.754 | S | S | * | * | | | | 154.8 | 121.5 | 128.5 | -77.1 | -34.9 | 0 | 0 | 0 | 113.1 | L1290 P1291 | N1099-L1290 WeakPolarHBondContact O-CA 3.16Å; N1099-P1291 CarbonylContact C-O 3.1Å; N1099-P1291 WeakPolarHBondContact CA-O 3.44Å; N1099-P1291 PolarHBondContact N-O 2.88Å; N1099-P1291 WeakPolarHBondContact O-CA 3.26Å |
| 1100 | D | 31.4 | Very low | 31.4 | Very low | 115 Ų | 115 | 136.6 Ų | 136.6 | 62% | 0.615 | 76% | 0.76 | S | S | * | * | | | trans | -75.8 | 158.4 | 175.7 | -66.9 | -62 | 0 | 0 | 0 | 114.4 | P1291 D1292 | D1100-P1291 PolarHBondContact N-O 3.47Å; D1100-D1292 PolarHBondContact OD1-N 3.25Å |
| 1101 | L | 30.4 | Very low | 31.2 | Very low | 172 Ų | 172 | 140.7 Ų | 140.7 | 90% | 0.901 | 76% | 0.764 | S | S | * | * | | | trans | -139.9 | 86.2 | 165.9 | -146.6 | 163 | 0 | 0 | 0 | 110.9 | | |
| 1102 | V | 30.1 | Very low | 31.1 | Very low | 122 Ų | 122 | 137.1 Ų | 137.1 | 74% | 0.739 | 75% | 0.749 | S | S | * | * | | | trans | -72.6 | 128.6 | 178.9 | 174.9 | 0 | 0 | 0 | 0 | 111 | V1104 | V1102-V1104 PolarHBondContact O-N 2.89Š|
| 1103 | L | 26.1 | Very low | 30.8 | Very low | 159 Ų | 159 | 140 Ų | 140 | 83% | 0.832 | 75% | 0.749 | S | S | * | * | | | trans | -71.2 | 117.9 | -179.7 | -177.7 | 74 | 0 | 0 | 0 | 112.3 | | |
| 1104 | V | 30 | Very low | 30.3 | Very low | 127 Ų | 127 | 138.3 Ų | 138.3 | 77% | 0.77 | 74% | 0.741 | S | S | * | * | | | trans | -131.4 | 136.5 | 162.3 | -178.1 | 0 | 0 | 0 | 0 | 110.5 | V1102 | V1102-V1104 PolarHBondContact O-N 2.89Š|
| 1105 | T | 26.8 | Very low | 30 | Very low | 119 Ų | 119 | 135.1 Ų | 135.1 | 73% | 0.73 | 73% | 0.734 | S | S | * | * | | | trans | -72.7 | 141 | -175.1 | 53.7 | 0 | 0 | 0 | 0 | 114.1 | | |
| 1106 | S | 24.7 | Very low | 29.8 | Very low | 100 Ų | 100 | 134.9 Ų | 134.9 | 70% | 0.699 | 73% | 0.732 | S | S | * | * | | | | 174.8 | 135.5 | 113.9 | 59.4 | 0 | 0 | 0 | 0 | 115.3 | | |
| 1107 | N | 26 | Very low | 29.4 | Very low | 140 Ų | 140 | 135.5 Ų | 135.5 | 75% | 0.749 | 74% | 0.74 | S | S | * | * | | | trans | 30.6 | 115.2 | 140.2 | -43.5 | -26.3 | 0 | 0 | 0 | 120.7 | | |
| 1108 | Q | 28.1 | Very low | 29.2 | Very low | 190 Ų | 190 | 137.1 Ų | 137.1 | 89% | 0.888 | 75% | 0.749 | S | S | * | * | | | | 175.3 | 165.1 | 107.5 | -95.8 | 165.1 | 97.4 | 0 | 0 | 115.9 | | |
| 1109 | S | 27.5 | Very low | 29.1 | Very low | 117 Ų | 117 | 138.4 Ų | 138.4 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | | | trans | -43.3 | 145.6 | -177.6 | 51.3 | 0 | 0 | 0 | 0 | 119.7 | | |
| 1110 | G | 31.6 | Very low | 28.7 | Very low | 86 Ų | 86 | 138 Ų | 138 | 89% | 0.887 | 76% | 0.76 | S | S | * | * | | | trans | -146.7 | 149.2 | 165.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 1111 | R | 27.1 | Very low | 28.7 | Very low | 238 Ų | 238 | 140.3 Ų | 140.3 | 90% | 0.898 | 77% | 0.772 | S | S | * | * | | | trans | -129.3 | 177.2 | 179.5 | -113.8 | -161.6 | 172.4 | -152 | 1.8 | 107 | | |
| 1112 | P | 34.3 | Very low | 28.7 | Very low | 79 Ų | 79 | 138 Ų | 138 | 51% | 0.513 | 76% | 0.76 | S | S | . | * | | | cis | -135.3 | -154.3 | -41.3 | 37.1 | -16.2 | 0 | 0 | 0 | 111.5 | | |
| 1113 | Y | 27.4 | Very low | 28.6 | Very low | 216 Ų | 216 | 139.9 Ų | 139.9 | 85% | 0.847 | 76% | 0.761 | S | S | * | * | | | trans | 78.5 | 160.9 | 168.9 | -54.1 | -72.3 | 0 | 0 | 0 | 118.4 | | |
| 1114 | N | 26.5 | Very low | 29.1 | Very low | 137 Ų | 137 | 141 Ų | 141 | 73% | 0.733 | 77% | 0.767 | S | S | * | * | | | cis | -167.3 | 159.1 | -48.7 | -160.8 | 16.5 | 0 | 0 | 0 | 111 | | |
| 1115 | V | 27.1 | Very low | 29.2 | Very low | 116 Ų | 116 | 140.2 Ų | 140.2 | 70% | 0.703 | 77% | 0.767 | S | S | * | * | | | trans | 69.7 | 128.8 | 165.7 | -159.7 | 0 | 0 | 0 | 0 | 118.2 | | |
| 1116 | S | 27.9 | Very low | 29.4 | Very low | 83 Ų | 83 | 138.1 Ų | 138.1 | 58% | 0.58 | 77% | 0.77 | S | S | * | * | | | trans | -67.2 | 170.9 | 172.5 | -44.7 | 0 | 0 | 0 | 0 | 114.3 | | |
| 1117 | F | 30.3 | Very low | 29.7 | Very low | 204 Ų | 204 | 141.3 Ų | 141.3 | 90% | 0.895 | 77% | 0.773 | S | S | * | * | | | | -135.9 | 143.8 | 119.4 | -99.5 | -75 | 0 | 0 | 0 | 110.1 | | |
| 1118 | D | 31.1 | Very low | 29.8 | Very low | 137 Ų | 137 | 144.5 Ų | 144.5 | 73% | 0.733 | 78% | 0.781 | S | S | * | * | | | trans | -85.8 | 151.5 | -177.8 | -45.6 | -91.7 | 0 | 0 | 0 | 111.4 | | |
| 1119 | N | 30.3 | Very low | 30 | Very low | 145 Ų | 145 | 141 Ų | 141 | 78% | 0.775 | 77% | 0.773 | S | S | * | * | | | | -167.8 | 147.9 | 107.5 | -163.7 | 22 | 0 | 0 | 0 | 111.1 | | |
| 1120 | C | 27.4 | Very low | 30 | Very low | 97 Ų | 97 | 143.6 Ų | 143.6 | 66% | 0.655 | 77% | 0.774 | S | S | * | * | | | trans | -98.4 | 156.7 | 170 | -64.2 | 0 | 0 | 0 | 0 | 110.5 | | |
| 1121 | N | 32.9 | Very low | 30 | Very low | 163 Ų | 163 | 148 Ų | 148 | 87% | 0.872 | 77% | 0.771 | S | S | * | * | | | trans | -152 | 142.7 | 151.8 | -103 | -27.9 | 0 | 0 | 0 | 109.2 | | |
| 1122 | N | 28.9 | Very low | 30.4 | Very low | 122 Ų | 122 | 141.5 Ų | 141.5 | 65% | 0.652 | 76% | 0.762 | S | S | * | * | | | trans | -110.2 | 159.9 | -158.7 | -88.2 | 17.4 | 0 | 0 | 0 | 114.3 | | |
| 1123 | E | 29.6 | Very low | 30.1 | Very low | 162 Ų | 162 | 145.4 Ų | 145.4 | 76% | 0.757 | 78% | 0.778 | S | S | * | * | | | trans | 42.8 | 123.7 | 138.1 | -61.6 | 166 | 129.5 | 0 | 0 | 121 | | |
| 1124 | L | 35 | Very low | 30.2 | Very low | 184 Ų | 184 | 145.8 Ų | 145.8 | 96% | 0.963 | 78% | 0.778 | S | S | * | * | | | trans | -135.2 | 95.9 | 140.6 | -89.8 | 178.1 | 0 | 0 | 0 | 110.2 | | |
| 1125 | S | 33.8 | Very low | 30.5 | Very low | 110 Ų | 110 | 143.2 Ų | 143.2 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | | | trans | -125.4 | 71.1 | 172.1 | 176.9 | 0 | 0 | 0 | 0 | 109.8 | Q1127 | S1125-Q1127 PolarHBondContact O-N 2.85Š|
| 1126 | G | 30.7 | Very low | 30.9 | Very low | 75 Ų | 75 | 146.1 Ų | 146.1 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | | | trans | -72.2 | 85 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 1127 | Q | 30.9 | Very low | 31 | Very low | 167 Ų | 167 | 151.9 Ų | 151.9 | 78% | 0.78 | 80% | 0.797 | S | S | * | * | | | trans | -93 | 112.8 | 165.1 | -173.5 | 170.6 | 5.2 | 0 | 0 | 110.2 | S1125 T1129 | S1125-Q1127 PolarHBondContact O-N 2.85Å; Q1127-T1129 PolarHBondContact O-N 3.19Å |
| 1128 | F | 27.3 | Very low | 31.2 | Very low | 207 Ų | 207 | 150.6 Ų | 150.6 | 91% | 0.908 | 79% | 0.793 | S | S | * | * | | | trans | -74.2 | 109 | 177.1 | -94.6 | -101.8 | 0 | 0 | 0 | 112 | | |
| 1129 | T | 33 | Very low | 31.4 | Very low | 117 Ų | 117 | 150.7 Ų | 150.7 | 72% | 0.718 | 79% | 0.794 | S | S | * | * | | | trans | -137.2 | 127.1 | 156.6 | 39.4 | 0 | 0 | 0 | 0 | 109.2 | Q1127 E1131 | Q1127-T1129 PolarHBondContact O-N 3.19Å; T1129-E1131 PolarHBondContact O-N 2.95Å |
| 1130 | M | 27.8 | Very low | 31.4 | Very low | 170 Ų | 170 | 150.6 Ų | 150.6 | 84% | 0.837 | 80% | 0.799 | S | S | * | * | | | trans | -74.2 | 109.5 | -176.7 | -80.8 | -169.7 | 173 | 0 | 0 | 112.3 | | |
| 1131 | E | 31.5 | Very low | 31.3 | Very low | 178 Ų | 178 | 155.3 Ų | 155.3 | 83% | 0.832 | 80% | 0.804 | S | S | * | * | | | trans | -139.7 | -17.5 | 156.9 | -137.4 | 88.5 | -118.8 | 0 | 0 | 113.1 | T1129 L1133 | T1129-E1131 PolarHBondContact O-N 2.95Å; E1131-L1133 VanDerWaalsContact C-N 3.26Å; E1131-L1133 PolarHBondContact O-N 3.41Å; E1131-L1133 VanDerWaalsContact O-N 3.07Å |
| 1132 | S | 35.3 | Very low | 31.2 | Very low | 102 Ų | 102 | 156.7 Ų | 156.7 | 71% | 0.713 | 80% | 0.802 | S | S | * | * | | | trans | -67.8 | -7 | -172.4 | -45.1 | 0 | 0 | 0 | 0 | 117 | R1134 | S1132-R1134 PolarHBondContact O-N 3.36Š|
| 1133 | L | 27.1 | Very low | 31.2 | Very low | 162 Ų | 162 | 156.5 Ų | 156.5 | 85% | 0.848 | 81% | 0.811 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.5 | 37.4 | 175.6 | -67.3 | 178.6 | 0 | 0 | 0 | 113.1 | E1131 | E1131-L1133 VanDerWaalsContact C-N 3.26Å; E1131-L1133 PolarHBondContact O-N 3.41Å; E1131-L1133 VanDerWaalsContact O-N 3.07Å |
| 1134 | R | 29.2 | Very low | 31.1 | Very low | 223 Ų | 223 | 156.4 Ų | 156.4 | 84% | 0.842 | 82% | 0.815 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -158.2 | 62.3 | 169.4 | -170.4 | 173.7 | -76 | -111.7 | -6.6 | 110.6 | S1132 | S1132-R1134 PolarHBondContact O-N 3.36Š|
| 1135 | A | 34 | Very low | 30.9 | Very low | 83 Ų | 83 | 152.9 Ų | 152.9 | 69% | 0.686 | 80% | 0.803 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -157.3 | -32.3 | 168.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | F1137 | A1135-F1137 PolarHBondContact O-N 2.95Š|
| 1136 | E | 33.9 | Very low | 30.6 | Very low | 178 Ų | 178 | 152.8 Ų | 152.8 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -76.6 | 25.9 | -171.8 | -152 | 174.5 | -168 | 0 | 0 | 115.2 | | |
| 1137 | F | 31.9 | Very low | 30.7 | Very low | 204 Ų | 204 | 155.2 Ų | 155.2 | 90% | 0.895 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -138.8 | 53.7 | 173.8 | -86.7 | -71 | 0 | 0 | 0 | 111.6 | A1135 | A1135-F1137 PolarHBondContact O-N 2.95Š|
| 1138 | E | 33.6 | Very low | 30.4 | Very low | 176 Ų | 176 | 154.4 Ų | 154.4 | 82% | 0.822 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -152.2 | 150.4 | 148.9 | -111.9 | 146.2 | -155.8 | 0 | 0 | 109.9 | | |
| 1139 | D | 34.7 | Very low | 30.5 | Very low | 139 Ų | 139 | 153.4 Ų | 153.4 | 74% | 0.743 | 80% | 0.803 | S | S | * | * | | | trans | 60.2 | 51.2 | 168.9 | -62.4 | -12.2 | 0 | 0 | 0 | 120.1 | Y1141 | D1139-Y1141 PolarHBondContact O-N 3.44Š|
| 1140 | T | 30 | Very low | 30.2 | Very low | 143 Ų | 143 | 157.5 Ų | 157.5 | 88% | 0.877 | 81% | 0.812 | S | S | * | * | | | trans | -78.9 | 66.5 | 134.4 | -58.4 | 0 | 0 | 0 | 0 | 109.5 | | |
| 1141 | Y | 26.1 | Very low | 30.4 | Very low | 196 Ų | 196 | 156.9 Ų | 156.9 | 77% | 0.769 | 81% | 0.811 | S | S | * | * | | | trans | -142.3 | 145.1 | 169.1 | -100.8 | -79.6 | 0 | 0 | 0 | 111.1 | D1139 | D1139-Y1141 PolarHBondContact O-N 3.44Š|
| 1142 | K | 31.1 | Very low | 30.1 | Very low | 192 Ų | 192 | 152 Ų | 152 | 84% | 0.835 | 81% | 0.808 | S | S | * | * | | | trans | 68.4 | 46.7 | 175.2 | -56.7 | 177.8 | -176.4 | -68.1 | 0 | 116.9 | L1144 | K1142-L1144 PolarHBondContact O-N 3.35Š|
| 1143 | S | 28.3 | Very low | 29.8 | Very low | 118 Ų | 118 | 150.7 Ų | 150.7 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | | | trans | -70.7 | 94.6 | 137.4 | 59.1 | 0 | 0 | 0 | 0 | 109.7 | | |
| 1144 | L | 27.7 | Very low | 29.7 | Very low | 160 Ų | 160 | 147.3 Ų | 147.3 | 84% | 0.838 | 81% | 0.807 | S | S | * | * | S | Bend | trans | 178.4 | 139.8 | 144.8 | -96.9 | 172.9 | 0 | 0 | 0 | 110.1 | K1142 | K1142-L1144 PolarHBondContact O-N 3.35Š|
| 1145 | P | 30.6 | Very low | 29.7 | Very low | 110 Ų | 110 | 143.9 Ų | 143.9 | 71% | 0.714 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -95.5 | 144 | -168.5 | 35.9 | -34.1 | 0 | 0 | 0 | 114.5 | P1147 | P1145-P1147 WeakPolarHBondContact O-CD 3.43Š|
| 1146 | S | 28.9 | Very low | 29.3 | Very low | 109 Ų | 109 | 145.6 Ų | 145.6 | 76% | 0.762 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -86.3 | 119.8 | 174.2 | -57.8 | 0 | 0 | 0 | 0 | 112.3 | | |
| 1147 | P | 30.9 | Very low | 29 | Very low | 126 Ų | 126 | 141.5 Ų | 141.5 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 117.2 | 174.2 | -5.4 | 23.9 | 0 | 0 | 0 | 111.2 | P1145 | P1145-P1147 WeakPolarHBondContact O-CD 3.43Š|
| 1148 | N | 26.5 | Very low | 28.8 | Very low | 150 Ų | 150 | 138.9 Ų | 138.9 | 80% | 0.802 | 80% | 0.798 | S | S | * | * | | | trans | -127.4 | 83.9 | 177.4 | -92.8 | -20.8 | 0 | 0 | 0 | 111.6 | | |
| 1149 | Q | 27.6 | Very low | 28.5 | Very low | 185 Ų | 185 | 138 Ų | 138 | 86% | 0.864 | 80% | 0.799 | S | S | * | * | | | trans | -147.7 | 61.5 | 165.6 | -75.1 | -157.9 | 26.5 | 0 | 0 | 113.2 | | |
| 1150 | F | 27.7 | Very low | 28.1 | Very low | 203 Ų | 203 | 136 Ų | 136 | 89% | 0.89 | 80% | 0.796 | S | S | * | * | | | trans | -159.2 | 150 | 152.3 | -81.7 | -64.8 | 0 | 0 | 0 | 105.6 | | |
| 1151 | L | 31.3 | Very low | 27.8 | Very low | 157 Ų | 157 | 137.2 Ų | 137.2 | 82% | 0.822 | 79% | 0.794 | S | S | * | * | | | cis | -145.2 | 157 | 13.2 | -170.5 | 62.2 | 0 | 0 | 0 | 109.8 | | |
| 1152 | G | 25.8 | Very low | 28 | Very low | 75 Ų | 75 | 134.5 Ų | 134.5 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | | | trans | -106.4 | 129 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 1153 | G | 28.3 | Very low | 27.8 | Very low | 76 Ų | 76 | 132 Ų | 132 | 78% | 0.784 | 79% | 0.787 | S | S | * | * | | | trans | 143.7 | 117.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 1154 | A | 25.9 | Very low | 27.8 | Very low | 90 Ų | 90 | 133.3 Ų | 133.3 | 74% | 0.744 | 79% | 0.79 | S | S | * | * | | | cis | 106.6 | 112.2 | 35.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 1155 | D | 28.4 | Very low | 27.7 | Very low | 151 Ų | 151 | 134.1 Ų | 134.1 | 81% | 0.807 | 79% | 0.79 | S | S | * | * | | | trans | 66.6 | 143.3 | 158.4 | -52.9 | -25.7 | 0 | 0 | 0 | 121.4 | | |
| 1156 | S | 26.4 | Very low | 27.6 | Very low | 119 Ų | 119 | 134.2 Ų | 134.2 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | | | trans | 67.5 | 145.1 | 170 | 67.5 | 0 | 0 | 0 | 0 | 118.1 | | |
| 1157 | S | 27.9 | Very low | 27.6 | Very low | 93 Ų | 93 | 134.2 Ų | 134.2 | 65% | 0.65 | 79% | 0.793 | S | S | * | * | | | cis | -167.4 | 144.6 | -13.8 | 45.6 | 0 | 0 | 0 | 0 | 112.1 | | |
| 1158 | D | 27.8 | Very low | 27.6 | Very low | 148 Ų | 148 | 135.5 Ų | 135.5 | 79% | 0.791 | 80% | 0.799 | S | S | * | * | | | trans | 64 | 156.6 | 150.3 | -60.7 | -34.5 | 0 | 0 | 0 | 122.3 | | |
| 1159 | N | 25.7 | Very low | 27.7 | Very low | 157 Ų | 157 | 134.8 Ų | 134.8 | 84% | 0.84 | 79% | 0.794 | S | S | * | * | | | trans | 69.2 | 139.9 | 175.6 | -65.6 | -40.3 | 0 | 0 | 0 | 118.1 | | |
| 1160 | S | 26.6 | Very low | 27.6 | Very low | 98 Ų | 98 | 133.6 Ų | 133.6 | 69% | 0.685 | 79% | 0.792 | S | S | * | * | | | cis | -163.7 | 153.6 | -16.9 | 47.9 | 0 | 0 | 0 | 0 | 111 | | |
| 1161 | M | 23.8 | Very low | 27.8 | Very low | 169 Ų | 169 | 129.9 Ų | 129.9 | 83% | 0.833 | 78% | 0.781 | S | S | * | * | | | trans | 7.3 | 126.4 | 164.9 | -60.3 | -171.3 | -64.3 | 0 | 0 | 119.5 | | |
| 1162 | N | 30.9 | Very low | 27.7 | Very low | 138 Ų | 138 | 132 Ų | 132 | 74% | 0.738 | 78% | 0.783 | S | S | * | * | | | | -159.6 | 134.3 | 103.1 | -104.5 | -22 | 0 | 0 | 0 | 115.1 | | |
| 1163 | I | 26.6 | Very low | 27.8 | Very low | 139 Ų | 139 | 136.8 Ų | 136.8 | 71% | 0.713 | 79% | 0.788 | S | S | * | * | | | trans | 44.8 | 100.1 | 145 | -51.8 | 163.4 | 0 | 0 | 0 | 117.6 | | |
| 1164 | V | 28.7 | Very low | 28 | Very low | 146 Ų | 146 | 140.2 Ų | 140.2 | 89% | 0.885 | 79% | 0.788 | S | S | * | * | | | trans | -131.8 | 89.9 | 148.3 | -179.2 | 0 | 0 | 0 | 0 | 108.1 | | |
| 1165 | E | 25.9 | Very low | 28.2 | Very low | 178 Ų | 178 | 145.2 Ų | 145.2 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | | | trans | -100.7 | 110 | 168.1 | -74.8 | -161.4 | 132.9 | 0 | 0 | 110.4 | | |
| 1166 | S | 27.9 | Very low | 28.3 | Very low | 112 Ų | 112 | 144.5 Ų | 144.5 | 78% | 0.783 | 80% | 0.795 | S | S | * | * | | | trans | -177.7 | 159 | 148.5 | -88.3 | 0 | 0 | 0 | 0 | 112.2 | | |
| 1167 | S | 28.9 | Very low | 28.5 | Very low | 109 Ų | 109 | 141.8 Ų | 141.8 | 76% | 0.762 | 79% | 0.786 | S | S | * | * | | | trans | 71.2 | 64.8 | 165.5 | -53.9 | 0 | 0 | 0 | 0 | 117.8 | L1169 | S1167-L1169 VanDerWaalsContact C-N 3.3Å; S1167-L1169 PolarHBondContact O-N 2.92Å |
| 1168 | T | 30 | Very low | 28.8 | Very low | 153 Ų | 153 | 144.4 Ų | 144.4 | 94% | 0.939 | 79% | 0.79 | S | S | * | * | | | trans | -63.4 | 82.8 | 157.1 | 23.8 | 0 | 0 | 0 | 0 | 111.8 | L1170 | T1168-L1170 PolarHBondContact O-N 2.95Š|
| 1169 | L | 28.8 | Very low | 28.9 | Very low | 135 Ų | 135 | 145 Ų | 145 | 71% | 0.707 | 79% | 0.793 | S | S | * | * | | | trans | -88.2 | 89.1 | -174.8 | -147.3 | 174.3 | 0 | 0 | 0 | 111.9 | S1167 I1171 | S1167-L1169 VanDerWaalsContact C-N 3.3Å; S1167-L1169 PolarHBondContact O-N 2.92Å; L1169-I1171 HydrophobicContact CD2-CD1 3.71Å; L1169-I1171 HydrophobicContact CD2-CG1 3.6Å; L1169-I1171 PolarHBondContact O-N 3.38Å |
| 1170 | L | 26.9 | Very low | 29 | Very low | 159 Ų | 159 | 146 Ų | 146 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | | | trans | -76.1 | 76.7 | -175.6 | -171.8 | 71.4 | 0 | 0 | 0 | 113.5 | T1168 K1172 | T1168-L1170 PolarHBondContact O-N 2.95Å; L1170-K1172 PolarHBondContact O-N 2.89Å |
| 1171 | I | 30.9 | Very low | 29.2 | Very low | 126 Ų | 126 | 150.8 Ų | 150.8 | 65% | 0.646 | 80% | 0.798 | S | S | * | * | | | trans | -80.5 | 105.8 | 168.8 | -70.9 | 163.8 | 0 | 0 | 0 | 110.3 | L1169 M1173 | L1169-I1171 HydrophobicContact CD2-CD1 3.71Å; L1169-I1171 HydrophobicContact CD2-CG1 3.6Å; L1169-I1171 PolarHBondContact O-N 3.38Å; I1171-M1173 HydrophobicContact CG2-CB 4Å; I1171-M1173 HydrophobicContact CG2-CG 4.11Å |
| 1172 | K | 28.9 | Very low | 29.6 | Very low | 200 Ų | 200 | 150.4 Ų | 150.4 | 87% | 0.87 | 80% | 0.799 | S | S | * | * | | | trans | -86 | 99.8 | 155 | -90.2 | -173.5 | 171.7 | -179.6 | 0 | 109.4 | L1170 | L1170-K1172 PolarHBondContact O-N 2.89Š|
| 1173 | M | 27.8 | Very low | 29.5 | Very low | 177 Ų | 177 | 149.3 Ų | 149.3 | 87% | 0.872 | 80% | 0.802 | S | S | * | * | | | trans | -115.4 | 104.1 | 162.8 | -102.8 | -165.4 | 151 | 0 | 0 | 108.9 | I1171 | I1171-M1173 HydrophobicContact CG2-CB 4Å; I1171-M1173 HydrophobicContact CG2-CG 4.11Å |
| 1174 | D | 33.4 | Very low | 29.5 | Very low | 147 Ų | 147 | 149.5 Ų | 149.5 | 79% | 0.786 | 81% | 0.805 | S | S | * | * | | | trans | -153.8 | 80.1 | 174.8 | -163.2 | 7.7 | 0 | 0 | 0 | 111.8 | | |
| 1175 | F | 29.8 | Very low | 29.4 | Very low | 196 Ų | 196 | 154.2 Ų | 154.2 | 86% | 0.86 | 81% | 0.807 | S | S | * | * | | | trans | -154 | 33.1 | 169.2 | -114.5 | -65.9 | 0 | 0 | 0 | 114.6 | | |
| 1176 | T | 31.3 | Very low | 29.5 | Very low | 136 Ų | 136 | 157 Ų | 157 | 83% | 0.834 | 81% | 0.81 | S | S | * | * | | | trans | -123.7 | 20.2 | 180 | -29.5 | 0 | 0 | 0 | 0 | 113.4 | | |
| 1177 | G | 29.6 | Very low | 29.4 | Very low | 62 Ų | 62 | 159.4 Ų | 159.4 | 64% | 0.639 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -82.4 | -23.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 1178 | I | 33.9 | Very low | 29.3 | Very low | 147 Ų | 147 | 158.4 Ų | 158.4 | 75% | 0.754 | 81% | 0.812 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.8 | -9.8 | -162.6 | -69.8 | 175 | 0 | 0 | 0 | 114.4 | | |
| 1179 | L | 29.9 | Very low | 29.2 | Very low | 160 Ų | 160 | 160.7 Ų | 160.7 | 84% | 0.838 | 81% | 0.812 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.6 | 38.4 | 176.9 | -76 | 174.3 | 0 | 0 | 0 | 114.4 | | |
| 1180 | K | 28.7 | Very low | 29.1 | Very low | 178 Ų | 178 | 159.3 Ų | 159.3 | 77% | 0.774 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -80.4 | 164.6 | 145.7 | -89.7 | 179.4 | 176.7 | 171.6 | 0 | 109.9 | L1182 | K1180-L1182 PolarHBondContact O-N 3.08Š|
| 1181 | F | 30.6 | Very low | 29.2 | Very low | 199 Ų | 199 | 160 Ų | 160 | 87% | 0.873 | 81% | 0.813 | S | S | * | * | | | trans | 79.8 | 6.2 | 157.3 | -125.1 | -96.1 | 0 | 0 | 0 | 120.6 | S1183 | F1181-S1183 VanDerWaalsContact C-N 3.35Å; F1181-S1183 PolarHBondContact O-N 2.73Å |
| 1182 | L | 32 | Very low | 29.1 | Very low | 162 Ų | 162 | 159.7 Ų | 159.7 | 85% | 0.848 | 82% | 0.822 | S | S | * | * | S | Bend | trans | -78.9 | 85.5 | 162.2 | -91.7 | 176 | 0 | 0 | 0 | 112.4 | K1180 | K1180-L1182 PolarHBondContact O-N 3.08Š|
| 1183 | S | 28.6 | Very low | 28.9 | Very low | 114 Ų | 114 | 160.9 Ų | 160.9 | 80% | 0.797 | 82% | 0.82 | S | S | * | * | | | trans | 77.3 | 144.9 | 161.9 | -153.9 | 0 | 0 | 0 | 0 | 119 | F1181 | F1181-S1183 VanDerWaalsContact C-N 3.35Å; F1181-S1183 PolarHBondContact O-N 2.73Å |
| 1184 | N | 27.7 | Very low | 29 | Very low | 144 Ų | 144 | 162 Ų | 162 | 77% | 0.77 | 82% | 0.82 | S | S | * | * | | | trans | -87.5 | 164.2 | -177.7 | -93.2 | -55.8 | 0 | 0 | 0 | 112.9 | R1186 | N1184-R1186 PolarHBondContact O-N 2.95Š|
| 1185 | R | 25.4 | Very low | 28.8 | Very low | 245 Ų | 245 | 160.6 Ų | 160.6 | 93% | 0.925 | 82% | 0.822 | S | S | * | * | | | trans | -37 | 129.3 | 168.2 | -67.8 | 176.2 | 173.1 | 175 | -2.8 | 112.8 | | |
| 1186 | R | 28.4 | Very low | 28.7 | Very low | 237 Ų | 237 | 160.3 Ų | 160.3 | 89% | 0.894 | 82% | 0.823 | S | S | * | * | | | trans | -148.5 | 151.7 | 150.5 | -133.5 | -178.9 | -68 | -173.4 | 0.9 | 111.4 | N1184 | N1184-R1186 PolarHBondContact O-N 2.95Š|
| 1187 | N | 25.7 | Very low | 28.5 | Very low | 162 Ų | 162 | 162.6 Ų | 162.6 | 87% | 0.866 | 83% | 0.827 | S | S | * | * | | | trans | -73.9 | 138 | -163 | -49.4 | -26.2 | 0 | 0 | 0 | 113.6 | | |
| 1188 | A | 27.1 | Very low | 28.6 | Very low | 88 Ų | 88 | 168.8 Ų | 168.8 | 73% | 0.727 | 84% | 0.836 | S | S | * | * | | | trans | -164.8 | 128.8 | 137.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 1189 | Q | 26.9 | Very low | 28.3 | Very low | 201 Ų | 201 | 168.7 Ų | 168.7 | 94% | 0.939 | 84% | 0.843 | S | S | * | * | | | trans | -82.4 | 121.5 | 157.1 | -76.5 | 176.9 | -91.2 | 0 | 0 | 107.8 | | |
| 1190 | S | 27.3 | Very low | 28.2 | Very low | 106 Ų | 106 | 168.5 Ų | 168.5 | 74% | 0.741 | 84% | 0.84 | S | S | * | * | | | trans | -111.9 | 99.5 | 175.1 | 41 | 0 | 0 | 0 | 0 | 110.3 | S1192 | S1190-S1192 PolarHBondContact O-N 3.04Š|
| 1191 | E | 30 | Very low | 28.2 | Very low | 174 Ų | 174 | 166.6 Ų | 166.6 | 81% | 0.813 | 84% | 0.838 | S | S | * | * | | | trans | -68.1 | 108.6 | 172.1 | -66.8 | -171.5 | 145 | 0 | 0 | 110.9 | R1193 | E1191-R1193 PolarHBondContact O-N 2.87Š|
| 1192 | S | 27.3 | Very low | 28 | Very low | 119 Ų | 119 | 160.5 Ų | 160.5 | 83% | 0.832 | 82% | 0.824 | S | S | * | * | | | trans | -84.5 | 95.1 | 174 | 52.6 | 0 | 0 | 0 | 0 | 111.4 | S1190 K1194 | S1190-S1192 PolarHBondContact O-N 3.04Å; S1192-K1194 PolarHBondContact O-N 3.49Å |
| 1193 | R | 25.7 | Very low | 27.9 | Very low | 224 Ų | 224 | 161.4 Ų | 161.4 | 85% | 0.845 | 82% | 0.824 | S | S | * | * | | | trans | -71.1 | 105.7 | 176.1 | -68.1 | -179.4 | 175.5 | -174 | -2 | 112.7 | E1191 | E1191-R1193 PolarHBondContact O-N 2.87Š|
| 1194 | K | 30.5 | Very low | 27.8 | Very low | 201 Ų | 201 | 161.6 Ų | 161.6 | 87% | 0.874 | 82% | 0.822 | S | S | * | * | | | trans | -147.7 | 142.6 | 156.8 | -70.6 | -170.1 | -179.9 | 178.6 | 0 | 109.3 | S1192 | S1192-K1194 PolarHBondContact O-N 3.49Š|
| 1195 | S | 27.4 | Very low | 27.9 | Very low | 117 Ų | 117 | 161.1 Ų | 161.1 | 82% | 0.818 | 82% | 0.824 | S | S | * | * | | | cis | -153.9 | 156 | -8.8 | 41.9 | 0 | 0 | 0 | 0 | 110.6 | | |
| 1196 | Q | 28.3 | Very low | 27.9 | Very low | 190 Ų | 190 | 158.6 Ų | 158.6 | 89% | 0.888 | 82% | 0.823 | S | S | * | * | | | trans | -71.2 | 156.7 | 179.7 | -58.5 | 164.4 | -34.8 | 0 | 0 | 112.6 | | |
| 1197 | M | 27.8 | Very low | 28.1 | Very low | 184 Ų | 184 | 150.9 Ų | 150.9 | 91% | 0.906 | 82% | 0.817 | S | S | * | * | | | | -154 | 136.1 | 121.8 | -132.9 | -173.3 | -176.3 | 0 | 0 | 114.1 | | |
| 1198 | K | 32.1 | Very low | 28.2 | Very low | 192 Ų | 192 | 152.8 Ų | 152.8 | 84% | 0.835 | 82% | 0.818 | S | S | * | * | | | trans | 66.6 | 82.9 | 148.7 | -149 | 176.6 | -171.2 | 179.8 | 0 | 119.9 | | |
| 1199 | T | 27.9 | Very low | 28.4 | Very low | 146 Ų | 146 | 157.8 Ų | 157.8 | 90% | 0.896 | 83% | 0.826 | S | S | * | * | | | trans | -144.3 | 152.4 | 130.3 | -62.9 | 0 | 0 | 0 | 0 | 107.8 | | |
| 1200 | M | 27.1 | Very low | 28.6 | Very low | 156 Ų | 156 | 153.3 Ų | 153.3 | 77% | 0.768 | 82% | 0.817 | S | S | * | * | | | trans | -144 | 165.1 | -175 | -157.1 | 175.9 | 89.8 | 0 | 0 | 110.2 | | |
| 1201 | N | 28.8 | Very low | 28.5 | Very low | 138 Ų | 138 | 155.6 Ų | 155.6 | 74% | 0.738 | 82% | 0.821 | S | S | * | * | | | trans | 72.4 | 163.5 | 175.4 | -62.2 | -13.6 | 0 | 0 | 0 | 117 | | |
| 1202 | A | 26.8 | Very low | 28.6 | Very low | 71 Ų | 71 | 158.9 Ų | 158.9 | 59% | 0.587 | 83% | 0.826 | S | S | * | * | | | cis | -175.3 | 173.3 | -37.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 1203 | H | 29.3 | Very low | 28.6 | Very low | 181 Ų | 181 | 158.4 Ų | 158.4 | 84% | 0.838 | 82% | 0.818 | S | S | * | * | | | trans | 57.3 | 101.4 | 158.9 | -66.5 | -66.6 | 0 | 0 | 0 | 120.7 | | |
| 1204 | P | 25.9 | Very low | 28.6 | Very low | 118 Ų | 118 | 155.1 Ų | 155.1 | 77% | 0.766 | 82% | 0.815 | S | S | * | * | | | trans | -85.9 | 154.6 | 139.8 | 36.2 | -31.6 | 0 | 0 | 0 | 111.3 | | |
| 1205 | V | 29.9 | Very low | 28.4 | Very low | 133 Ų | 133 | 150.8 Ų | 150.8 | 81% | 0.806 | 81% | 0.808 | S | S | * | * | | | trans | 178.7 | 130.9 | 147.9 | 137.3 | 0 | 0 | 0 | 0 | 113.7 | | |
| 1206 | Q | 25.3 | Very low | 28.2 | Very low | 193 Ų | 193 | 150.3 Ų | 150.3 | 90% | 0.902 | 81% | 0.805 | S | S | * | * | | | trans | 20.7 | 129.7 | 136.7 | -129.2 | 166.3 | -9.5 | 0 | 0 | 121.7 | | |
| 1207 | G | 32.4 | Very low | 28.2 | Very low | 75 Ų | 75 | 146.9 Ų | 146.9 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | | | trans | -175.1 | 162.8 | 167.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 1208 | K | 29.3 | Very low | 28.1 | Very low | 201 Ų | 201 | 145.3 Ų | 145.3 | 87% | 0.874 | 79% | 0.792 | S | S | * | * | | | trans | -144.8 | 171.4 | 178.6 | -77.6 | -171 | 175 | -176.8 | 0 | 111.4 | | |
| 1209 | E | 31.7 | Very low | 27.8 | Very low | 194 Ų | 194 | 141.4 Ų | 141.4 | 91% | 0.907 | 78% | 0.784 | S | S | * | * | | | trans | 73.4 | 154.7 | 172.5 | -65.1 | 176.8 | -155.4 | 0 | 0 | 115.7 | | |
| 1210 | S | 29.8 | Very low | 28 | Very low | 107 Ų | 107 | 138.6 Ų | 138.6 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | | | cis | -159.9 | -179.1 | -22.7 | -174.4 | 0 | 0 | 0 | 0 | 109.3 | | |
| 1211 | N | 26.2 | Very low | 28.3 | Very low | 154 Ų | 154 | 138.1 Ų | 138.1 | 82% | 0.824 | 77% | 0.771 | S | S | * | * | | | trans | -72.4 | 128 | -170 | -64.5 | -73.4 | 0 | 0 | 0 | 115.8 | | |
| 1212 | R | 31.9 | Very low | 28.2 | Very low | 242 Ų | 242 | 137.8 Ų | 137.8 | 91% | 0.913 | 77% | 0.768 | S | S | * | * | | | trans | -169.5 | 131.8 | 144.5 | -113.5 | 180 | 177.4 | -171.8 | -0.9 | 115.9 | | |
| 1213 | T | 26.1 | Very low | 28 | Very low | 110 Ų | 110 | 138.7 Ų | 138.7 | 68% | 0.675 | 77% | 0.766 | S | S | * | * | | | trans | 49.3 | 105.8 | 137.8 | -50.4 | 0 | 0 | 0 | 0 | 122.1 | | |
| 1214 | I | 25.7 | Very low | 28 | Very low | 154 Ų | 154 | 138.2 Ų | 138.2 | 79% | 0.79 | 77% | 0.769 | S | S | * | * | | | | 41.7 | 135 | 121.7 | -55 | 169.1 | 0 | 0 | 0 | 119 | | |
| 1215 | P | 27 | Very low | 28 | Very low | 110 Ų | 110 | 138.8 Ų | 138.8 | 71% | 0.714 | 76% | 0.762 | S | S | * | * | | | cis | -126.1 | 160 | 8 | 41.9 | -28.4 | 0 | 0 | 0 | 116.4 | | |
| 1216 | S | 24.1 | Very low | 27.8 | Very low | 108 Ų | 108 | 139.8 Ų | 139.8 | 76% | 0.755 | 76% | 0.757 | S | S | * | * | | | | 32.8 | 143.9 | 123.8 | -167 | 0 | 0 | 0 | 0 | 122.6 | | |
| 1217 | V | 27.3 | Very low | 28 | Very low | 117 Ų | 117 | 137.8 Ų | 137.8 | 71% | 0.709 | 75% | 0.751 | S | S | * | * | | | cis | -160.7 | 135.8 | -23.8 | 143.8 | 0 | 0 | 0 | 0 | 105.1 | | |
| 1218 | N | 25.9 | Very low | 27.8 | Very low | 152 Ų | 152 | 140.1 Ų | 140.1 | 81% | 0.813 | 75% | 0.746 | S | S | * | * | | | trans | -154.8 | 102.8 | 142.7 | -164.2 | -2.8 | 0 | 0 | 0 | 107.6 | | |
| 1219 | T | 25.4 | Very low | 27.5 | Very low | 109 Ų | 109 | 140.3 Ų | 140.3 | 67% | 0.669 | 74% | 0.742 | S | S | * | * | | | trans | -156.4 | 69.6 | -158.6 | -43.8 | 0 | 0 | 0 | 0 | 112.4 | | |
| 1220 | S | 32 | Very low | 27.4 | Very low | 87 Ų | 87 | 140.7 Ų | 140.7 | 61% | 0.608 | 74% | 0.741 | S | S | * | * | | | trans | -178.1 | 130.6 | 175 | 49.1 | 0 | 0 | 0 | 0 | 108.8 | | |
| 1221 | N | 32.9 | Very low | 27.4 | Very low | 147 Ų | 147 | 140.1 Ų | 140.1 | 79% | 0.786 | 73% | 0.733 | S | S | * | * | | | cis | -136.4 | 153.5 | -7.5 | -62.4 | -44.7 | 0 | 0 | 0 | 107.3 | | |
| 1222 | I | 26.8 | Very low | 27.4 | Very low | 131 Ų | 131 | 142 Ų | 142 | 67% | 0.672 | 73% | 0.734 | S | S | * | * | | | cis | 83.1 | 102.3 | 25.9 | -60 | -178.8 | 0 | 0 | 0 | 114.6 | | |
| 1223 | T | 24 | Very low | 27.7 | Very low | 90 Ų | 90 | 136.1 Ų | 136.1 | 55% | 0.552 | 73% | 0.727 | S | S | * | * | | | trans | 48.1 | 115.3 | 152.3 | 59.1 | 0 | 0 | 0 | 0 | 122 | Q1225 | T1223-Q1225 HydrophobicContact CG2-CB 4.08Å; T1223-Q1225 HydrophobicContact CG2-CG 4.18Å |
| 1224 | L | 29.2 | Very low | 27.7 | Very low | 171 Ų | 171 | 140 Ų | 140 | 90% | 0.895 | 73% | 0.734 | S | S | * | * | | | | -127.8 | 133 | 92.6 | -74.1 | 164.7 | 0 | 0 | 0 | 106 | | |
| 1225 | Q | 25 | Very low | 27.7 | Very low | 130 Ų | 130 | 137.5 Ų | 137.5 | 61% | 0.607 | 73% | 0.731 | S | S | * | * | | | cis | 71.3 | 117.4 | 8.8 | -109.8 | -162.3 | 2.4 | 0 | 0 | 117.8 | T1223 | T1223-Q1225 HydrophobicContact CG2-CB 4.08Å; T1223-Q1225 HydrophobicContact CG2-CG 4.18Å |
| 1226 | H | 25.2 | Very low | 27.7 | Very low | 153 Ų | 153 | 139.9 Ų | 139.9 | 71% | 0.708 | 74% | 0.736 | S | S | * | * | | | trans | 64.8 | 142.7 | 175.1 | -62.8 | -108.5 | 0 | 0 | 0 | 114.4 | | |
| 1227 | I | 31.5 | Very low | 27.8 | Very low | 152 Ų | 152 | 141.5 Ų | 141.5 | 78% | 0.779 | 74% | 0.736 | S | S | * | * | | | cis | -128.7 | 155.2 | 23 | -69.8 | 172 | 0 | 0 | 0 | 113.4 | | |
| 1228 | N | 26.6 | Very low | 27.5 | Very low | 123 Ų | 123 | 141.8 Ų | 141.8 | 66% | 0.658 | 74% | 0.742 | S | S | * | * | | | trans | -27 | 150.5 | 165.8 | -47.9 | -29.5 | 0 | 0 | 0 | 117.6 | | |
| 1229 | Y | 23.5 | Very low | 27.4 | Very low | 205 Ų | 205 | 139.9 Ų | 139.9 | 80% | 0.804 | 74% | 0.736 | S | S | * | * | | | | 65.8 | 80 | 53.4 | -95 | -82.8 | 0 | 0 | 0 | 116.4 | V1231 | Y1229-V1231 HydrophobicContact CD1-CG2 3.81Å; Y1229-V1231 HydrophobicContact CE1-CG2 4.4Å |
| 1230 | F | 30.6 | Very low | 27.3 | Very low | 203 Ų | 203 | 143.3 Ų | 143.3 | 89% | 0.89 | 74% | 0.744 | S | S | * | * | | | trans | -151.7 | 120.8 | 146.5 | -98.7 | -84.2 | 0 | 0 | 0 | 105.7 | | |
| 1231 | V | 28.7 | Very low | 27.1 | Very low | 94 Ų | 94 | 145 Ų | 145 | 57% | 0.57 | 75% | 0.751 | S | S | * | * | | | cis | 86.5 | 79.9 | 20.4 | -165.2 | 0 | 0 | 0 | 0 | 115.9 | Y1229 | Y1229-V1231 HydrophobicContact CD1-CG2 3.81Å; Y1229-V1231 HydrophobicContact CE1-CG2 4.4Å |
| 1232 | K | 26.3 | Very low | 26.8 | Very low | 195 Ų | 195 | 143.7 Ų | 143.7 | 85% | 0.848 | 75% | 0.753 | S | S | * | * | | | trans | 63.9 | 175.9 | 145.9 | -72.5 | 178.9 | 178.7 | 174 | 0 | 117.1 | | |
| 1233 | P | 38.2 | Very low | 26.7 | Very low | 118 Ų | 118 | 144.8 Ų | 144.8 | 77% | 0.766 | 76% | 0.759 | S | S | * | * | | | cis | -124.4 | 176.8 | -15.8 | 17.7 | 6.5 | 0 | 0 | 0 | 115.4 | | |
| 1234 | K | 26.4 | Very low | 26.8 | Very low | 190 Ų | 190 | 145.2 Ų | 145.2 | 83% | 0.826 | 77% | 0.766 | S | S | * | * | | | trans | -38.1 | 157.1 | 167.1 | -53.4 | 173.5 | 171.8 | -175.5 | 0 | 118.3 | | |
| 1235 | S | 25.2 | Very low | 26.7 | Very low | 103 Ų | 103 | 143.9 Ų | 143.9 | 72% | 0.72 | 76% | 0.759 | S | S | * | * | | | trans | 63.5 | 118.5 | 134.9 | 62.5 | 0 | 0 | 0 | 0 | 121 | | |
| 1236 | I | 27.8 | Very low | 26.8 | Very low | 160 Ų | 160 | 144.3 Ų | 144.3 | 82% | 0.821 | 76% | 0.761 | S | S | * | * | | | | -162.9 | 106 | 106.6 | -93.2 | 151.8 | 0 | 0 | 0 | 105.1 | | |
| 1237 | N | 24.6 | Very low | 27 | Very low | 141 Ų | 141 | 144.8 Ų | 144.8 | 75% | 0.754 | 77% | 0.768 | S | S | * | * | | | | 75.2 | 129.2 | 95.8 | -160.8 | 31.6 | 0 | 0 | 0 | 113.5 | | |
| 1238 | C | 21.3 | Very low | 26.9 | Very low | 124 Ų | 124 | 145.1 Ų | 145.1 | 84% | 0.838 | 77% | 0.766 | S | S | * | * | | | trans | -89.4 | 115.2 | -169.6 | -53.7 | 0 | 0 | 0 | 0 | 111.6 | | |
| 1239 | T | 24.1 | Very low | 27.1 | Very low | 111 Ų | 111 | 146.7 Ų | 146.7 | 68% | 0.681 | 77% | 0.774 | S | S | * | * | | | trans | -152.5 | 136.3 | 164.2 | -43.4 | 0 | 0 | 0 | 0 | 111.7 | | |
| 1240 | E | 24 | Very low | 27.5 | Very low | 181 Ų | 181 | 144.2 Ų | 144.2 | 85% | 0.846 | 78% | 0.775 | S | S | * | * | | | trans | 67.1 | 142.2 | 160.5 | -83.4 | 165.4 | 172.1 | 0 | 0 | 122.8 | | |
| 1241 | V | 26.3 | Very low | 27.5 | Very low | 124 Ų | 124 | 142.7 Ų | 142.7 | 75% | 0.752 | 78% | 0.775 | S | S | * | * | | | trans | -88.7 | 147.9 | 169.8 | 171.9 | 0 | 0 | 0 | 0 | 108.2 | I1243 | V1241-I1243 HydrophobicContact CG1-CG1 4.49Š|
| 1242 | S | 26.9 | Very low | 27.4 | Very low | 119 Ų | 119 | 145 Ų | 145 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | | | trans | -148.6 | 128.8 | 169.6 | -76.9 | 0 | 0 | 0 | 0 | 111.4 | | |
| 1243 | I | 26 | Very low | 27.4 | Very low | 154 Ų | 154 | 140.7 Ų | 140.7 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | | | trans | -138.5 | 113.3 | 177.3 | -59.5 | 174.7 | 0 | 0 | 0 | 107.8 | V1241 | V1241-I1243 HydrophobicContact CG1-CG1 4.49Š|
| 1244 | S | 24.5 | Very low | 26.9 | Very low | 99 Ų | 99 | 143.3 Ų | 143.3 | 69% | 0.692 | 77% | 0.773 | S | S | * | * | | | trans | 177.6 | 124.7 | 157.7 | -86.4 | 0 | 0 | 0 | 0 | 112.8 | | |
| 1245 | N | 27.3 | Very low | 27 | Very low | 143 Ų | 143 | 141 Ų | 141 | 77% | 0.765 | 76% | 0.764 | S | S | * | * | | | | 55.8 | 163 | 127.8 | -45.3 | -25.9 | 0 | 0 | 0 | 119.6 | | |
| 1246 | H | 27.4 | Very low | 27.2 | Very low | 138 Ų | 138 | 142.2 Ų | 142.2 | 64% | 0.639 | 76% | 0.763 | S | S | * | * | | | cis | -157.5 | 142.3 | 5.8 | -146.3 | -28.9 | 0 | 0 | 0 | 112.1 | Q1248 | H1246-Q1248 PolarHBondContact ND1-N 3.45Š|
| 1247 | L | 30.4 | Very low | 27.5 | Very low | 163 Ų | 163 | 142.2 Ų | 142.2 | 85% | 0.853 | 76% | 0.762 | S | S | * | * | | | trans | -129 | 143.6 | 132.6 | -68.8 | 172.2 | 0 | 0 | 0 | 104.1 | | |
| 1248 | Q | 27.7 | Very low | 27.8 | Very low | 159 Ų | 159 | 141.5 Ų | 141.5 | 74% | 0.743 | 76% | 0.756 | S | S | * | * | | | cis | -149.2 | 139.6 | 11.1 | 170.1 | 154 | -36 | 0 | 0 | 108.7 | H1246 | H1246-Q1248 PolarHBondContact ND1-N 3.45Š|
| 1249 | N | 31.7 | Very low | 28.2 | Very low | 156 Ų | 156 | 141.8 Ų | 141.8 | 83% | 0.834 | 75% | 0.75 | S | S | * | * | | | trans | 179.5 | 154.3 | 159.3 | -101.6 | -27.7 | 0 | 0 | 0 | 111.8 | | |
| 1250 | D | 32.9 | Very low | 28.4 | Very low | 153 Ų | 153 | 143 Ų | 143 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | | | trans | -143.9 | 104.8 | 167.9 | -161 | 2.6 | 0 | 0 | 0 | 109.4 | | |
| 1251 | L | 29 | Very low | 28.5 | Very low | 171 Ų | 171 | 140 Ų | 140 | 90% | 0.895 | 75% | 0.746 | S | S | * | * | | | trans | -161.4 | 148.3 | 173.8 | -133.9 | 134.8 | 0 | 0 | 0 | 110.9 | | |
| 1252 | I | 27.3 | Very low | 28.4 | Very low | 144 Ų | 144 | 144.2 Ų | 144.2 | 74% | 0.738 | 75% | 0.75 | S | S | * | * | | | trans | -110.8 | 147.8 | -157.7 | -38.9 | 176.1 | 0 | 0 | 0 | 111.8 | | |
| 1253 | T | 26.9 | Very low | 28.2 | Very low | 103 Ų | 103 | 143.5 Ų | 143.5 | 63% | 0.632 | 74% | 0.741 | S | S | * | * | | | trans | 114.3 | 100.1 | 143.1 | -48.1 | 0 | 0 | 0 | 0 | 118.7 | | |
| 1254 | K | 28 | Very low | 28.2 | Very low | 174 Ų | 174 | 144 Ų | 144 | 76% | 0.757 | 74% | 0.739 | S | S | * | * | | | trans | 55.6 | 162.5 | 132.7 | -51 | 176.3 | -165.2 | 172.7 | 0 | 119.2 | | |
| 1255 | Q | 28.7 | Very low | 28.2 | Very low | 140 Ų | 140 | 146.9 Ų | 146.9 | 65% | 0.654 | 74% | 0.739 | S | S | * | * | | | cis | -162.1 | 161 | 1.6 | -134 | 169.1 | -78.2 | 0 | 0 | 111 | | |
| 1256 | N | 29.3 | Very low | 28.5 | Very low | 129 Ų | 129 | 147.2 Ų | 147.2 | 69% | 0.69 | 74% | 0.741 | S | S | * | * | | | trans | 42.6 | 133.7 | 152 | -62.6 | -7.9 | 0 | 0 | 0 | 120.7 | | |
| 1257 | M | 32.5 | Very low | 28.7 | Very low | 161 Ų | 161 | 148.7 Ų | 148.7 | 79% | 0.793 | 75% | 0.748 | S | S | * | * | | | | -168.6 | 149.5 | 67.6 | -100.2 | -162.7 | 152.7 | 0 | 0 | 115.8 | | |
| 1258 | I | 32.6 | Very low | 28.5 | Very low | 125 Ų | 125 | 149.6 Ų | 149.6 | 64% | 0.641 | 75% | 0.745 | S | S | * | * | | | trans | 62.2 | 98.2 | 140.8 | -59.4 | 178.2 | 0 | 0 | 0 | 120.3 | | |
| 1259 | N | 28.7 | Very low | 28.8 | Very low | 130 Ų | 130 | 153.6 Ų | 153.6 | 70% | 0.695 | 76% | 0.756 | S | S | * | * | | | | 38 | 131.3 | 111.2 | -56.3 | -0.9 | 0 | 0 | 0 | 122.8 | | |
| 1260 | N | 28 | Very low | 28.5 | Very low | 138 Ų | 138 | 151.4 Ų | 151.4 | 74% | 0.738 | 75% | 0.752 | S | S | * | * | | | | 78.7 | 121.2 | 123.2 | -72.7 | 8.1 | 0 | 0 | 0 | 123.6 | | |
| 1261 | T | 27.5 | Very low | 28.4 | Very low | 116 Ų | 116 | 149.9 Ų | 149.9 | 71% | 0.712 | 75% | 0.754 | S | S | * | * | | | | 99.6 | 126.1 | 114.3 | -71.7 | 0 | 0 | 0 | 0 | 121.9 | | |
| 1262 | Y | 23.1 | Very low | 28.3 | Very low | 214 Ų | 214 | 147.3 Ų | 147.3 | 84% | 0.839 | 75% | 0.745 | S | S | * | * | | | trans | 89 | 145 | 150.9 | -118.8 | -119 | 0 | 0 | 0 | 122.3 | | |
| 1263 | T | 23.2 | Very low | 28.4 | Very low | 104 Ų | 104 | 149.1 Ų | 149.1 | 64% | 0.638 | 75% | 0.75 | S | S | * | * | | | trans | -96.1 | 134.4 | 170.4 | 49.1 | 0 | 0 | 0 | 0 | 110.7 | | |
| 1264 | H | 25.2 | Very low | 28.5 | Very low | 164 Ų | 164 | 150.7 Ų | 150.7 | 76% | 0.759 | 75% | 0.753 | S | S | * | * | | | | -161.7 | 177.8 | 123.9 | -129.9 | -113.6 | 0 | 0 | 0 | 113.2 | | |
| 1265 | K | 25.3 | Very low | 29.3 | Very low | 159 Ų | 159 | 148.3 Ų | 148.3 | 69% | 0.691 | 76% | 0.755 | S | S | * | * | | | trans | -75.7 | 158.2 | -176.5 | -51.1 | 169.4 | -173 | 178.1 | 0 | 112.2 | | |
| 1266 | D | 32.6 | Very low | 29.9 | Very low | 151 Ų | 151 | 146.8 Ų | 146.8 | 81% | 0.807 | 76% | 0.757 | S | S | * | * | | | | -178.1 | -166.8 | 108.7 | -84.4 | -16.8 | 0 | 0 | 0 | 110.8 | | |
| 1267 | E | 32.6 | Very low | 30 | Very low | 168 Ų | 168 | 147.3 Ų | 147.3 | 79% | 0.785 | 76% | 0.76 | S | S | * | * | | | trans | -102.5 | 164.8 | -141.6 | -59.1 | -167 | 104.6 | 0 | 0 | 118.9 | | |
| 1268 | K | 26.3 | Very low | 30.1 | Very low | 182 Ų | 182 | 147 Ų | 147 | 79% | 0.791 | 76% | 0.761 | S | S | * | * | | | trans | -11.4 | 131.5 | 161.1 | -60.3 | 166 | 179.5 | 164.9 | 0 | 117.7 | | |
| 1269 | Y | 33.4 | Very low | 30.1 | Very low | 244 Ų | 244 | 144.4 Ų | 144.4 | 96% | 0.957 | 77% | 0.766 | S | S | * | * | | | trans | -142 | 161.7 | 136 | -97.8 | -77.6 | 0 | 0 | 0 | 110.9 | | |
| 1270 | S | 25.8 | Very low | 30.4 | Very low | 110 Ų | 110 | 145.1 Ų | 145.1 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | | | trans | -127.2 | 142.6 | -171.9 | 176.7 | 0 | 0 | 0 | 0 | 111.5 | | |
| 1271 | S | 31.3 | Very low | 30.7 | Very low | 121 Ų | 121 | 144.3 Ų | 144.3 | 85% | 0.846 | 78% | 0.78 | S | S | * | * | | | trans | -164.3 | 171.6 | 157.5 | -155.7 | 0 | 0 | 0 | 0 | 112.2 | | |
| 1272 | V | 25.9 | Very low | 31.1 | Very low | 116 Ų | 116 | 146.6 Ų | 146.6 | 70% | 0.703 | 79% | 0.787 | S | S | * | * | | | trans | -136.8 | 139.6 | -162.7 | 173.2 | 0 | 0 | 0 | 0 | 112.2 | | |
| 1273 | H | 29.3 | Very low | 31.9 | Very low | 182 Ų | 182 | 141.5 Ų | 141.5 | 84% | 0.843 | 78% | 0.78 | S | S | * | * | | | trans | -164.7 | 159.8 | 149.6 | -131.4 | -85.4 | 0 | 0 | 0 | 114.4 | | |
| 1274 | I | 30.4 | Very low | 32.6 | Very low | 137 Ų | 137 | 142.7 Ų | 142.7 | 70% | 0.703 | 79% | 0.787 | S | S | * | * | | | trans | -140.5 | 141.3 | -177.2 | -68.5 | 163.5 | 0 | 0 | 0 | 110.7 | | |
| 1275 | P | 43.2 | Very low | 32.8 | Very low | 123 Ų | 123 | 140.8 Ų | 140.8 | 80% | 0.799 | 79% | 0.788 | S | S | * | * | | | trans | -148.9 | 159 | 131.1 | 38.6 | -23.2 | 0 | 0 | 0 | 116.1 | | |
| 1276 | P | 41.4 | Very low | 33.4 | Very low | 109 Ų | 109 | 139.5 Ų | 139.5 | 71% | 0.708 | 79% | 0.792 | S | S | * | * | | | trans | -122 | 171 | 175.8 | 42.6 | -32.6 | 0 | 0 | 0 | 115.8 | | |
| 1277 | N | 32 | Very low | 33.4 | Very low | 140 Ų | 140 | 137 Ų | 137 | 75% | 0.749 | 79% | 0.787 | S | S | * | * | | | trans | 179 | 166.1 | 132 | -115.5 | 42.6 | 0 | 0 | 0 | 117.8 | | |
| 1278 | D | 35.3 | Very low | 33.3 | Very low | 153 Ų | 153 | 136.2 Ų | 136.2 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | | | trans | 75.5 | 152.5 | 155.2 | -55.2 | -21.9 | 0 | 0 | 0 | 123.8 | | |
| 1279 | G | 31.6 | Very low | 33.7 | Very low | 71 Ų | 71 | 133.1 Ų | 133.1 | 73% | 0.732 | 77% | 0.774 | S | S | * | * | | | trans | 172.3 | -172.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 1280 | V | 34.6 | Very low | 33.7 | Very low | 145 Ų | 145 | 127 Ų | 127 | 88% | 0.879 | 76% | 0.757 | S | S | * | * | | | trans | 75 | 130.7 | 164.6 | -168.8 | 0 | 0 | 0 | 0 | 121.8 | | |
| 1281 | S | 35.8 | Very low | 34.4 | Very low | 121 Ų | 121 | 124.7 Ų | 124.7 | 85% | 0.846 | 74% | 0.739 | S | S | * | * | | | trans | -163.7 | -178.7 | 158.4 | 56.2 | 0 | 0 | 0 | 0 | 113.6 | | |
| 1282 | L | 35.3 | Very low | 34.8 | Very low | 164 Ų | 164 | 124.2 Ų | 124.2 | 86% | 0.859 | 73% | 0.727 | S | S | * | * | | | trans | -123.3 | -176.3 | -153.7 | -107.6 | 77.4 | 0 | 0 | 0 | 117.2 | | |
| 1283 | P | 40.2 | Very low | 35.1 | Very low | 107 Ų | 107 | 123.1 Ų | 123.1 | 70% | 0.695 | 73% | 0.725 | S | S | * | * | | | trans | -119.6 | -177.9 | -151.4 | 46.2 | -39.5 | 0 | 0 | 0 | 119.1 | | |
| 1284 | T | 36.7 | Very low | 35.3 | Very low | 129 Ų | 129 | 119.6 Ų | 119.6 | 79% | 0.791 | 72% | 0.721 | S | S | * | * | | | trans | -168.4 | 127.1 | 166.2 | 0.1 | 0 | 0 | 0 | 0 | 119.3 | | |
| 1285 | T | 30.3 | Very low | 35.4 | Very low | 125 Ų | 125 | 118.2 Ų | 118.2 | 77% | 0.767 | 72% | 0.723 | S | S | * | * | | | trans | 49.1 | 164.5 | 134.1 | 54.6 | 0 | 0 | 0 | 0 | 128.5 | | |
| 1286 | V | 37.5 | Very low | 34.7 | Very low | 131 Ų | 131 | 117.5 Ų | 117.5 | 79% | 0.794 | 72% | 0.721 | S | S | * | * | | | trans | 101.8 | 164.8 | 159.7 | -172.5 | 0 | 0 | 0 | 0 | 117 | | |
| 1287 | S | 31.7 | Very low | 34 | Very low | 100 Ų | 100 | 122.2 Ų | 122.2 | 70% | 0.699 | 73% | 0.731 | S | S | * | * | | | | 177.5 | 164.7 | -76.5 | -73.9 | 0 | 0 | 0 | 0 | 110.5 | | |
| 1288 | L | 31.7 | Very low | 33.8 | Very low | 150 Ų | 150 | 120.6 Ų | 120.6 | 79% | 0.785 | 73% | 0.73 | S | S | * | * | | | cis | -169.6 | 173.4 | -9.7 | -110.1 | 171.6 | 0 | 0 | 0 | 112.8 | | |
| 1289 | K | 33.4 | Very low | 33.3 | Very low | 117 Ų | 117 | 117.9 Ų | 117.9 | 51% | 0.509 | 72% | 0.724 | S | S | . | * | | | trans | 81.9 | 158.2 | 159.6 | -79.1 | -174.7 | 168.5 | -169.9 | 0 | 123.6 | S1095 R1096 N1098 | S1095-K1289 PolarHBondContact O-NZ 2.84Å; S1095-K1289 VanDerWaalsContact O-NZ 3.1Å; R1096-K1289 VanDerWaalsContact O-CD 3.31Å; R1096-K1289 WeakPolarHBondContact O-CD 3.16Å; R1096-K1289 VanDerWaalsContact O-CE 3.23Å; R1096-K1289 WeakPolarHBondContact O-CE 3.4Å; R1096-K1289 PolarHBondContact O-NZ 3.36Å; N1098-K1289 CarbonylContact O-C 3.06Å |
| 1290 | L | 35.1 | Very low | 33.2 | Very low | 117 Ų | 117 | 119.7 Ų | 119.7 | 61% | 0.613 | 73% | 0.725 | S | S | * | * | | | trans | -154 | 174.9 | -172.3 | 48 | 61.1 | 0 | 0 | 0 | 110.7 | D1097 N1098 N1099 | D1097-L1290 CarbonylContact C-O 3.57Å; N1098-L1290 CarbonylContact C-O 3.53Å; N1098-L1290 PolarHBondContact N-O 3.46Å; N1098-L1290 VanDerWaalsContact O-CA 3.27Å; N1098-L1290 WeakPolarHBondContact O-CA 3.35Å; N1098-L1290 PolarHBondContact O-N 3.14Å; N1099-L1290 WeakPolarHBondContact O-CA 3.16Å |
| 1291 | P | 40.8 | Very low | 32.8 | Very low | 60 Ų | 60 | 117.5 Ų | 117.5 | 39% | 0.39 | 72% | 0.716 | S | S | . | * | | | cis | -126.2 | -142.2 | 9 | 39.8 | -16.5 | 0 | 0 | 0 | 114.7 | N1099 D1100 | N1099-P1291 CarbonylContact C-O 3.1Å; N1099-P1291 WeakPolarHBondContact CA-O 3.44Å; N1099-P1291 PolarHBondContact N-O 2.88Å; N1099-P1291 WeakPolarHBondContact O-CA 3.26Å; D1100-P1291 PolarHBondContact N-O 3.47Å |
| 1292 | D | 39.4 | Very low | 32.4 | Very low | 111 Ų | 111 | 118.7 Ų | 118.7 | 59% | 0.594 | 71% | 0.713 | S | S | * | * | | | | 180 | 137.8 | 68.9 | -156.2 | 8 | 0 | 0 | 0 | 120.6 | D1100 | D1100-D1292 PolarHBondContact OD1-N 3.25Š|
| 1293 | S | 31.9 | Very low | 32 | Very low | 93 Ų | 93 | 115.1 Ų | 115.1 | 65% | 0.65 | 70% | 0.702 | S | S | * | * | | | trans | 65.9 | 123.1 | 151.1 | 82.4 | 0 | 0 | 0 | 0 | 129.3 | | |
| 1294 | S | 33 | Very low | 31.5 | Very low | 108 Ų | 108 | 114.3 Ų | 114.3 | 76% | 0.755 | 70% | 0.696 | S | S | * | * | | | | 97.1 | 124.2 | 127.9 | 81.9 | 0 | 0 | 0 | 0 | 128 | | |
| 1295 | S | 31.6 | Very low | 31.1 | Very low | 108 Ų | 108 | 113.3 Ų | 113.3 | 76% | 0.755 | 70% | 0.695 | S | S | * | * | | | trans | 105.8 | 124.7 | 132.8 | 81.9 | 0 | 0 | 0 | 0 | 126.2 | | |
| 1296 | S | 29.4 | Very low | 30.8 | Very low | 109 Ų | 109 | 113.3 Ų | 113.3 | 76% | 0.762 | 69% | 0.694 | S | S | * | * | | | trans | 87.5 | 105.5 | 144.7 | 73.3 | 0 | 0 | 0 | 0 | 125.6 | | |
| 1297 | K | 26.4 | Very low | 30.1 | Very low | 207 Ų | 207 | 111.5 Ų | 111.5 | 90% | 0.9 | 69% | 0.688 | S | S | * | * | | | trans | 25.5 | 133.8 | 130.7 | -62.8 | 178.7 | -179 | 176.7 | 0 | 119.5 | | |
| 1298 | S | 27.5 | Very low | 29.9 | Very low | 106 Ų | 106 | 112.2 Ų | 112.2 | 74% | 0.741 | 69% | 0.693 | S | S | * | * | | | cis | 179.2 | 169.5 | 42.5 | 49.3 | 0 | 0 | 0 | 0 | 115 | | |
| 1299 | S | 26.4 | Very low | 29.7 | Very low | 97 Ų | 97 | 110.2 Ų | 110.2 | 68% | 0.678 | 69% | 0.692 | S | S | * | * | | | trans | 65.4 | 90.3 | 148.9 | 53.4 | 0 | 0 | 0 | 0 | 122.3 | | |
| 1300 | S | 28.4 | Very low | 29.4 | Very low | 108 Ų | 108 | 110.5 Ų | 110.5 | 76% | 0.755 | 71% | 0.707 | S | S | * | * | | | | 92.6 | 132.6 | 110.2 | 65.5 | 0 | 0 | 0 | 0 | 124.1 | | |
| 1301 | S | 26.7 | Very low | 29 | Very low | 100 Ų | 100 | 108.8 Ų | 108.8 | 70% | 0.699 | 71% | 0.705 | S | S | * | * | | | trans | 75.6 | 88.6 | 150 | 48.3 | 0 | 0 | 0 | 0 | 121.3 | | |
| 1302 | N | 26.9 | Very low | 28.5 | Very low | 146 Ų | 146 | 113.6 Ų | 113.6 | 78% | 0.781 | 73% | 0.727 | S | S | * | * | | | | 51.5 | 109.1 | 120 | -55.7 | -6.1 | 0 | 0 | 0 | 118.5 | | |
| 1303 | S | 26.8 | Very low | 28 | Very low | 89 Ų | 89 | 115.7 Ų | 115.7 | 62% | 0.622 | 73% | 0.733 | S | S | * | * | | | | 78.8 | 150.6 | 50.5 | 96.2 | 0 | 0 | 0 | 0 | 114.2 | | |
| 1304 | P | 30.4 | Very low | 28 | Very low | 90 Ų | 90 | 119.4 Ų | 119.4 | 58% | 0.584 | 74% | 0.744 | S | S | * | * | | | | -140.9 | -165.1 | -91.7 | 37.1 | -16.4 | 0 | 0 | 0 | 115.4 | | |
| 1305 | S | 27.9 | Very low | 27.9 | Very low | 108 Ų | 108 | 120.8 Ų | 120.8 | 76% | 0.755 | 74% | 0.742 | S | S | * | * | | | trans | 77.4 | 121.4 | 144.2 | 56.9 | 0 | 0 | 0 | 0 | 120.5 | | |
| 1306 | T | 23.7 | Very low | 27.7 | Very low | 124 Ų | 124 | 124 Ų | 124 | 76% | 0.761 | 74% | 0.742 | S | S | * | * | | | trans | -81.7 | 167.6 | 152.5 | 52.4 | 0 | 0 | 0 | 0 | 111.5 | | |
| 1307 | S | 23.6 | Very low | 27.6 | Very low | 93 Ų | 93 | 129.9 Ų | 129.9 | 65% | 0.65 | 75% | 0.749 | S | S | * | * | | | trans | 61 | 107.3 | 140.3 | 62.3 | 0 | 0 | 0 | 0 | 120.8 | | |
| 1308 | S | 27.1 | Very low | 27.6 | Very low | 116 Ų | 116 | 126.5 Ų | 126.5 | 81% | 0.811 | 74% | 0.741 | S | S | * | * | | | | 60.8 | 131.6 | 124.6 | 67.2 | 0 | 0 | 0 | 0 | 122.2 | | |
| 1309 | S | 27.4 | Very low | 27.6 | Very low | 108 Ų | 108 | 131.5 Ų | 131.5 | 76% | 0.755 | 74% | 0.744 | S | S | * | * | | | | -157.9 | 139.1 | 129 | -160.5 | 0 | 0 | 0 | 0 | 112 | | |
| 1310 | C | 27.4 | Very low | 27.9 | Very low | 122 Ų | 122 | 136 Ų | 136 | 82% | 0.824 | 75% | 0.754 | S | S | * | * | | | trans | 56.4 | 155.9 | 156.8 | -71.6 | 0 | 0 | 0 | 0 | 120.4 | | |
| 1311 | S | 26.7 | Very low | 27.8 | Very low | 82 Ų | 82 | 136 Ų | 136 | 57% | 0.573 | 75% | 0.749 | S | S | * | * | | | cis | -163 | 138.5 | -19.3 | 172.3 | 0 | 0 | 0 | 0 | 109.3 | | |
| 1312 | N | 30.5 | Very low | 27.9 | Very low | 160 Ų | 160 | 137.1 Ų | 137.1 | 86% | 0.856 | 75% | 0.752 | S | S | * | * | | | | -174.6 | 151.3 | 117.1 | -90.3 | -10.6 | 0 | 0 | 0 | 112.1 | | |
| 1313 | H | 28.3 | Very low | 28.2 | Very low | 156 Ų | 156 | 138.2 Ų | 138.2 | 72% | 0.722 | 76% | 0.758 | S | S | * | * | | | trans | -99.6 | 133 | -174.9 | -81.9 | -93 | 0 | 0 | 0 | 111.9 | | |
| 1314 | I | 31.5 | Very low | 28.2 | Very low | 171 Ų | 171 | 137.3 Ų | 137.3 | 88% | 0.877 | 76% | 0.762 | S | S | * | * | | | trans | -122.9 | 136.3 | 132.7 | -68.1 | -174.9 | 0 | 0 | 0 | 107.1 | | |
| 1315 | L | 31.6 | Very low | 28.3 | Very low | 136 Ų | 136 | 141.2 Ų | 141.2 | 71% | 0.712 | 78% | 0.777 | S | S | * | * | | | trans | -94.7 | 157.7 | 179.6 | -82.8 | 167.8 | 0 | 0 | 0 | 111.4 | | |
| 1316 | K | 27.7 | Very low | 28.5 | Very low | 175 Ų | 175 | 143 Ų | 143 | 76% | 0.761 | 78% | 0.779 | S | S | * | * | | | trans | -46.1 | 140.5 | 169.8 | -52.8 | 163.5 | -178.2 | 172.1 | 0 | 111.1 | | |
| 1317 | Y | 27.1 | Very low | 29.1 | Very low | 233 Ų | 233 | 145.2 Ų | 145.2 | 91% | 0.914 | 79% | 0.785 | S | S | * | * | | | | -134.2 | 160 | 123.8 | -118 | -90.7 | 0 | 0 | 0 | 110.1 | | |
| 1318 | N | 25.2 | Very low | 29.4 | Very low | 137 Ų | 137 | 147.8 Ų | 147.8 | 73% | 0.733 | 79% | 0.791 | S | S | * | * | | | trans | -117.5 | 157.2 | 176.5 | -66.7 | -89.3 | 0 | 0 | 0 | 109 | | |
| 1319 | R | 28.1 | Very low | 29.8 | Very low | 211 Ų | 211 | 149 Ų | 149 | 80% | 0.796 | 79% | 0.789 | S | S | * | * | | | trans | 75.3 | 90.5 | 156.7 | -174.3 | -148 | -61.8 | -99 | -7.3 | 117.2 | V1321 | R1319-V1321 HydrophobicContact CG-CG2 4.06Š|
| 1320 | E | 32.1 | Very low | 30 | Very low | 191 Ų | 191 | 150.9 Ų | 150.9 | 89% | 0.893 | 79% | 0.786 | S | S | * | * | | | trans | -150.4 | 124.5 | 131.5 | -91.3 | 124.5 | -148.4 | 0 | 0 | 103.4 | | |
| 1321 | V | 27.7 | Very low | 30.3 | Very low | 107 Ų | 107 | 153 Ų | 153 | 65% | 0.648 | 79% | 0.788 | S | S | * | * | | | cis | 74.1 | 111.3 | 30.6 | -169.7 | 0 | 0 | 0 | 0 | 112.5 | R1319 | R1319-V1321 HydrophobicContact CG-CG2 4.06Š|
| 1322 | T | 27.8 | Very low | 30.5 | Very low | 124 Ų | 124 | 155 Ų | 155 | 76% | 0.761 | 79% | 0.792 | S | S | * | * | | | trans | 53.8 | 119.4 | 175.4 | 46.2 | 0 | 0 | 0 | 0 | 114.8 | | |
| 1323 | D | 33.1 | Very low | 30.7 | Very low | 170 Ų | 170 | 155 Ų | 155 | 91% | 0.909 | 79% | 0.786 | S | S | * | * | | | | -129.7 | 172 | 60.4 | -80.2 | -42.3 | 0 | 0 | 0 | 115.4 | | |
| 1324 | G | 27.4 | Very low | 30.7 | Very low | 69 Ų | 69 | 156.8 Ų | 156.8 | 71% | 0.711 | 80% | 0.795 | S | S | * | * | | | trans | -126.6 | 149 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 1325 | L | 33.4 | Very low | 30.6 | Very low | 172 Ų | 172 | 156.2 Ų | 156.2 | 90% | 0.901 | 79% | 0.786 | S | S | * | * | | | trans | -119.8 | 104.3 | 150.3 | -76.9 | 177.9 | 0 | 0 | 0 | 107.6 | L1327 | L1325-L1327 PolarHBondContact O-N 3.05Š|
| 1326 | D | 30.7 | Very low | 30.5 | Very low | 146 Ų | 146 | 155.1 Ų | 155.1 | 78% | 0.781 | 78% | 0.781 | S | S | * | * | | | trans | -86.3 | 92.1 | -177.4 | -169 | 10.6 | 0 | 0 | 0 | 110 | | |
| 1327 | L | 36.6 | Very low | 30.6 | Very low | 170 Ų | 170 | 155.4 Ų | 155.4 | 89% | 0.89 | 79% | 0.79 | S | S | * | * | | | trans | -134.7 | 46.6 | 175.1 | -73.1 | 179.2 | 0 | 0 | 0 | 111.6 | L1325 | L1325-L1327 PolarHBondContact O-N 3.05Š|
| 1328 | N | 30.9 | Very low | 30.6 | Very low | 148 Ų | 148 | 150.2 Ų | 150.2 | 79% | 0.791 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -106.4 | 119.4 | 155.3 | -167.4 | 12.7 | 0 | 0 | 0 | 110 | | |
| 1329 | N | 34.3 | Very low | 30.8 | Very low | 141 Ų | 141 | 150.6 Ų | 150.6 | 75% | 0.754 | 77% | 0.772 | S | S | * | * | | | trans | -67 | 143.1 | -164.4 | -151.8 | -3.7 | 0 | 0 | 0 | 112.1 | N1331 | N1329-N1331 PolarHBondContact O-N 2.94Š|
| 1330 | Q | 31.6 | Very low | 30.9 | Very low | 148 Ų | 148 | 148 Ų | 148 | 69% | 0.692 | 78% | 0.775 | S | S | * | * | | | trans | -41.3 | 105.8 | 176.7 | -74.2 | 169.6 | -12.7 | 0 | 0 | 113.3 | I1332 | Q1330-I1332 HydrophobicContact CB-CD1 3.99Å; Q1330-I1332 HydrophobicContact CB-CG1 3.94Å; Q1330-I1332 HydrophobicContact CG-CD1 4.15Å; Q1330-I1332 HydrophobicContact CG-CG1 4.34Å; Q1330-I1332 PolarHBondContact O-N 2.99Å; Q1330-I1332 VanDerWaalsContact OE1-CD1 3.26Å |
| 1331 | N | 33.9 | Very low | 30.7 | Very low | 165 Ų | 165 | 146.8 Ų | 146.8 | 88% | 0.882 | 77% | 0.773 | S | S | * | * | | | trans | -75.3 | 65.7 | 152.9 | -115.3 | -25 | 0 | 0 | 0 | 107.8 | N1329 E1333 | N1329-N1331 PolarHBondContact O-N 2.94Å; N1331-E1333 PolarHBondContact O-N 2.63Å |
| 1332 | I | 30.4 | Very low | 30.8 | Very low | 126 Ų | 126 | 148.2 Ų | 148.2 | 65% | 0.646 | 78% | 0.777 | S | S | * | * | | | trans | -61.7 | 126.9 | 173 | -88.1 | 163.7 | 0 | 0 | 0 | 108 | Q1330 H1334 | Q1330-I1332 HydrophobicContact CB-CD1 3.99Å; Q1330-I1332 HydrophobicContact CB-CG1 3.94Å; Q1330-I1332 HydrophobicContact CG-CD1 4.15Å; Q1330-I1332 HydrophobicContact CG-CG1 4.34Å; Q1330-I1332 PolarHBondContact O-N 2.99Å; Q1330-I1332 VanDerWaalsContact OE1-CD1 3.26Å; I1332-H1334 PolarHBondContact O-N 2.81Å |
| 1333 | E | 35.2 | Very low | 31 | Very low | 158 Ų | 158 | 149.9 Ų | 149.9 | 74% | 0.738 | 78% | 0.782 | S | S | * | * | | | trans | -62.9 | 130.1 | -165.8 | -49.2 | 178.5 | 133.8 | 0 | 0 | 111 | N1331 F1335 | N1331-E1333 PolarHBondContact O-N 2.63Å; E1333-F1335 HydrophobicContact CB-CB 3.93Å; E1333-F1335 PolarHBondContact O-N 2.88Å |
| 1334 | H | 28.9 | Very low | 30.9 | Very low | 194 Ų | 194 | 150 Ų | 150 | 90% | 0.898 | 77% | 0.774 | S | S | * | * | | | trans | -75.4 | 55.6 | 164.2 | -169 | -73 | 0 | 0 | 0 | 109.9 | I1332 | I1332-H1334 PolarHBondContact O-N 2.81Š|
| 1335 | F | 28.8 | Very low | 31.1 | Very low | 160 Ų | 160 | 153.1 Ų | 153.1 | 70% | 0.702 | 77% | 0.774 | S | S | * | * | | | trans | -106.1 | 91.2 | -176.7 | -127.4 | -92.1 | 0 | 0 | 0 | 111.7 | E1333 | E1333-F1335 HydrophobicContact CB-CB 3.93Å; E1333-F1335 PolarHBondContact O-N 2.88Å |
| 1336 | N | 30.3 | Very low | 30.7 | Very low | 113 Ų | 113 | 151 Ų | 151 | 60% | 0.604 | 76% | 0.764 | S | S | * | * | | | trans | 46.3 | 95.8 | 152.5 | -60.2 | -57 | 0 | 0 | 0 | 117 | M1338 | N1336-M1338 PolarHBondContact O-N 2.86Š|
| 1337 | L | 29.6 | Very low | 30.8 | Very low | 180 Ų | 180 | 151.2 Ų | 151.2 | 94% | 0.942 | 77% | 0.765 | S | S | * | * | | | trans | -59.8 | 95.5 | 148.1 | 176.3 | 58.6 | 0 | 0 | 0 | 108.6 | | |
| 1338 | M | 26.8 | Very low | 30.2 | Very low | 124 Ų | 124 | 149.6 Ų | 149.6 | 61% | 0.611 | 76% | 0.757 | S | S | * | * | | | trans | -67.7 | 147.5 | 171.4 | -82.8 | -101.3 | 60 | 0 | 0 | 110.8 | N1336 | N1336-M1338 PolarHBondContact O-N 2.86Š|
| 1339 | H | 29.1 | Very low | 30.2 | Very low | 145 Ų | 145 | 148.9 Ų | 148.9 | 67% | 0.671 | 75% | 0.751 | S | S | * | * | | | trans | 55.3 | 101.1 | 164.7 | -62.7 | -66.6 | 0 | 0 | 0 | 117.9 | | |
| 1340 | N | 29.7 | Very low | 30 | Very low | 157 Ų | 157 | 148.3 Ų | 148.3 | 84% | 0.84 | 75% | 0.748 | S | S | * | * | | | | -142.6 | 81.4 | 110.4 | -135.4 | -34.8 | 0 | 0 | 0 | 112.9 | N1342 | N1340-N1342 PolarHBondContact O-N 3.48Š|
| 1341 | L | 28.6 | Very low | 29.8 | Very low | 166 Ų | 166 | 148.4 Ų | 148.4 | 87% | 0.869 | 75% | 0.748 | S | S | * | * | | | trans | -86 | 84.9 | 165.5 | -82.7 | 174.2 | 0 | 0 | 0 | 108.9 | | |
| 1342 | N | 30.4 | Very low | 29.7 | Very low | 137 Ų | 137 | 148.5 Ų | 148.5 | 73% | 0.733 | 74% | 0.743 | S | S | * | * | | | trans | -149.9 | 68.1 | 168 | -151.8 | 15.4 | 0 | 0 | 0 | 115.3 | N1340 | N1340-N1342 PolarHBondContact O-N 3.48Š|
| 1343 | N | 32.4 | Very low | 29.7 | Very low | 159 Ų | 159 | 150.1 Ų | 150.1 | 85% | 0.85 | 75% | 0.747 | S | S | * | * | | | | -143.9 | 130.1 | 122.4 | -150.7 | -14.5 | 0 | 0 | 0 | 110.9 | | |
| 1344 | K | 30.1 | Very low | 29.5 | Very low | 173 Ų | 173 | 150.4 Ų | 150.4 | 75% | 0.752 | 75% | 0.753 | S | S | * | * | | | trans | -134.6 | 95.3 | -176.7 | 177.9 | -170.4 | 176.5 | -179 | 0 | 108.5 | | |
| 1345 | N | 30.7 | Very low | 29.5 | Very low | 133 Ų | 133 | 145 Ų | 145 | 71% | 0.711 | 74% | 0.742 | S | S | * | * | | | trans | -173.6 | 115.7 | 153.6 | -90.3 | -28.1 | 0 | 0 | 0 | 107 | | |
| 1346 | N | 26.5 | Very low | 29.4 | Very low | 129 Ų | 129 | 147.3 Ų | 147.3 | 69% | 0.69 | 75% | 0.748 | S | S | * | * | | | | 79.7 | 82.8 | 77 | -69 | 2.8 | 0 | 0 | 0 | 112.9 | | |
| 1347 | N | 31.7 | Very low | 29.4 | Very low | 149 Ų | 149 | 147.9 Ų | 147.9 | 80% | 0.797 | 75% | 0.751 | S | S | * | * | | | | -163.1 | 137.2 | 116.3 | -83.4 | -30.2 | 0 | 0 | 0 | 107.4 | | |
| 1348 | N | 24.9 | Very low | 29.4 | Very low | 137 Ų | 137 | 143.9 Ų | 143.9 | 73% | 0.733 | 74% | 0.738 | S | S | * | * | | | | 60.1 | 121.8 | 65.2 | -86.8 | 22.1 | 0 | 0 | 0 | 111.9 | | |
| 1349 | M | 30 | Very low | 29.3 | Very low | 133 Ų | 133 | 148.4 Ų | 148.4 | 66% | 0.655 | 75% | 0.75 | S | S | * | * | | | cis | -149.6 | 179.6 | 4.6 | -87.1 | -64.9 | -75.9 | 0 | 0 | 110.6 | | |
| 1350 | N | 29.9 | Very low | 29.4 | Very low | 129 Ų | 129 | 148 Ų | 148 | 69% | 0.69 | 76% | 0.757 | S | S | * | * | | | trans | 70.2 | 120.3 | 176.4 | -65.6 | 24.4 | 0 | 0 | 0 | 114.9 | | |
| 1351 | E | 28.2 | Very low | 29.2 | Very low | 150 Ų | 150 | 143.7 Ų | 143.7 | 70% | 0.701 | 75% | 0.75 | S | S | * | * | | | cis | 91 | 144.4 | 36.8 | -64.7 | -174.6 | 168.3 | 0 | 0 | 114.5 | | |
| 1352 | H | 31.6 | Very low | 29.3 | Very low | 166 Ų | 166 | 146.6 Ų | 146.6 | 77% | 0.769 | 75% | 0.75 | S | S | * | * | | | trans | 73.8 | 97.5 | -165.9 | -58.1 | -80.4 | 0 | 0 | 0 | 115 | | |
| 1353 | H | 30 | Very low | 29.3 | Very low | 160 Ų | 160 | 150 Ų | 150 | 74% | 0.741 | 75% | 0.752 | S | S | * | * | | | | 92.7 | 118.3 | 52.3 | -87.9 | -81.5 | 0 | 0 | 0 | 114.1 | | |
| 1354 | L | 30.7 | Very low | 29.1 | Very low | 165 Ų | 165 | 151.8 Ų | 151.8 | 86% | 0.864 | 75% | 0.749 | S | S | * | * | | | trans | 68.2 | 148.6 | 161.4 | -55.7 | 162.3 | 0 | 0 | 0 | 116.1 | | |
| 1355 | A | 29.4 | Very low | 29 | Very low | 80 Ų | 80 | 149.2 Ų | 149.2 | 66% | 0.661 | 75% | 0.752 | S | S | * | * | | | cis | -159.9 | 143.8 | -28.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 1356 | Y | 26.4 | Very low | 29.1 | Very low | 208 Ų | 208 | 149.5 Ų | 149.5 | 82% | 0.816 | 75% | 0.754 | S | S | * | * | | | trans | 50.4 | 114.4 | 148.2 | -90.2 | -115.2 | 0 | 0 | 0 | 121.6 | | |
| 1357 | N | 30.8 | Very low | 29.2 | Very low | 126 Ų | 126 | 151.1 Ų | 151.1 | 67% | 0.674 | 76% | 0.762 | S | S | * | * | | | trans | 85.5 | 97.7 | 132.4 | -69.5 | 8.8 | 0 | 0 | 0 | 122.6 | | |
| 1358 | S | 29.1 | Very low | 29.1 | Very low | 96 Ų | 96 | 154.4 Ų | 154.4 | 67% | 0.671 | 77% | 0.765 | S | S | * | * | | | | 71.3 | 114.8 | 107 | -58.6 | 0 | 0 | 0 | 0 | 121.9 | | |
| 1359 | Y | 24.4 | Very low | 29.4 | Very low | 219 Ų | 219 | 156.1 Ų | 156.1 | 86% | 0.859 | 77% | 0.769 | S | S | * | * | | | | 47.7 | 101.7 | 128 | -87 | -97 | 0 | 0 | 0 | 118.5 | | |
| 1360 | T | 31.1 | Very low | 29.4 | Very low | 135 Ų | 135 | 157.9 Ų | 157.9 | 83% | 0.828 | 78% | 0.775 | S | S | * | * | | | | -177.2 | 158.5 | 90.1 | 26.1 | 0 | 0 | 0 | 0 | 112 | | |
| 1361 | G | 26.6 | Very low | 29.2 | Very low | 67 Ų | 67 | 155 Ų | 155 | 69% | 0.691 | 77% | 0.765 | S | S | * | * | | | trans | -73.2 | 162.1 | 159.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 1362 | R | 31.2 | Very low | 29 | Very low | 227 Ų | 227 | 153.5 Ų | 153.5 | 86% | 0.857 | 76% | 0.756 | S | S | * | * | | | cis | -146.4 | 148.8 | 33 | -50 | 176.2 | -172.6 | -177.1 | 1.2 | 111.8 | | |
| 1363 | R | 29.9 | Very low | 29 | Very low | 210 Ų | 210 | 154.2 Ų | 154.2 | 79% | 0.792 | 76% | 0.757 | S | S | * | * | | | trans | 35.7 | 132 | 136.6 | -53.2 | 174.5 | -170.6 | 175.8 | 0.7 | 117.7 | | |
| 1364 | Y | 27.3 | Very low | 29.2 | Very low | 196 Ų | 196 | 153.6 Ų | 153.6 | 77% | 0.769 | 76% | 0.759 | S | S | * | * | | | cis | -124 | 150.2 | 28.1 | -82.2 | -110.1 | 0 | 0 | 0 | 113.7 | | |
| 1365 | S | 29.2 | Very low | 29.4 | Very low | 118 Ų | 118 | 151.2 Ų | 151.2 | 83% | 0.825 | 76% | 0.756 | S | S | * | * | | | trans | -108.3 | 118.1 | 153 | -63 | 0 | 0 | 0 | 0 | 106.6 | | |
| 1366 | D | 31.4 | Very low | 30.4 | Very low | 140 Ų | 140 | 155.4 Ų | 155.4 | 75% | 0.749 | 76% | 0.761 | S | S | * | * | | | trans | -102.3 | 98 | 166.4 | -75.4 | -30.8 | 0 | 0 | 0 | 108.3 | | |
| 1367 | N | 29.3 | Very low | 31.4 | Very low | 162 Ų | 162 | 151.3 Ų | 151.3 | 87% | 0.866 | 75% | 0.753 | S | S | * | * | | | trans | -169.3 | 133.6 | 151.2 | -98.9 | -26.4 | 0 | 0 | 0 | 109.7 | | |
| 1368 | Y | 29.3 | Very low | 31.9 | Very low | 219 Ų | 219 | 153.7 Ų | 153.7 | 86% | 0.859 | 77% | 0.766 | S | S | * | * | | | trans | -119.1 | 178.5 | 147.5 | -150.3 | -93.9 | 0 | 0 | 0 | 107 | | |
| 1369 | E | 30.9 | Very low | 32.5 | Very low | 173 Ų | 173 | 154.3 Ų | 154.3 | 81% | 0.808 | 77% | 0.77 | S | S | * | * | | | trans | 72.7 | 73 | 180 | -55.8 | -164.5 | -166 | 0 | 0 | 115.7 | | |
| 1370 | H | 30.4 | Very low | 33.1 | Very low | 170 Ų | 170 | 150.9 Ų | 150.9 | 79% | 0.787 | 77% | 0.767 | S | S | * | * | | | | -92.6 | 116.1 | 115.5 | -123.5 | -87.2 | 0 | 0 | 0 | 109 | | |
| 1371 | S | 26.3 | Very low | 33.2 | Very low | 68 Ų | 68 | 151.9 Ų | 151.9 | 48% | 0.476 | 77% | 0.767 | S | S | . | * | | | trans | 38.2 | 153.9 | 138.1 | 69 | 0 | 0 | 0 | 0 | 122.7 | | |
| 1372 | K | 24.1 | Very low | 33.5 | Very low | 119 Ų | 119 | 155.4 Ų | 155.4 | 52% | 0.517 | 77% | 0.768 | S | S | . | * | | | trans | 68.1 | 112.5 | 159.4 | -60.2 | 168.5 | -170.3 | 178 | 0 | 114.7 | D848 | D848-K1372 IonicContact OD1-NZ 2.87Å; D848-K1372 PolarHBondContact OD1-NZ 3.35Å; D848-K1372 IonicContact OD2-NZ 3.49Å; D848-K1372 PolarHBondContact OD2-NZ 3.27Å |
| 1373 | F | 31.7 | Very low | 33.5 | Very low | 181 Ų | 181 | 150.1 Ų | 150.1 | 79% | 0.794 | 76% | 0.763 | S | S | * | * | | | cis | -150.5 | 140.6 | 8 | -84.9 | -76.7 | 0 | 0 | 0 | 114.1 | | |
| 1374 | L | 33.9 | Very low | 33.4 | Very low | 147 Ų | 147 | 146 Ų | 146 | 77% | 0.77 | 77% | 0.766 | S | S | * | * | | | trans | 30.3 | 116 | 149.3 | -93 | 63.8 | 0 | 0 | 0 | 122.2 | H1376 | L1374-H1376 PolarHBondContact O-N 2.93Š|
| 1375 | S | 35.2 | Very low | 33.4 | Very low | 115 Ų | 115 | 142 Ų | 142 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | | | | 54.9 | 57.5 | 118.6 | -171 | 0 | 0 | 0 | 0 | 117.7 | | |
| 1376 | H | 49.3 | Very low | 33.7 | Very low | 168 Ų | 168 | 141.7 Ų | 141.7 | 78% | 0.778 | 76% | 0.756 | S | S | * | * | | | trans | -140.6 | 153.9 | 165.6 | -90.9 | 36.7 | 0 | 0 | 0 | 108 | L1374 | L1374-H1376 PolarHBondContact O-N 2.93Š|
| 1377 | N | 48.4 | Very low | 33.3 | Very low | 121 Ų | 121 | 138 Ų | 138 | 65% | 0.647 | 75% | 0.751 | S | S | * | * | | | cis | -159.9 | 143.8 | -24.3 | -117.7 | -17.7 | 0 | 0 | 0 | 107.5 | | |
| 1378 | N | 41.4 | Very low | 33.5 | Very low | 176 Ų | 176 | 137.2 Ų | 137.2 | 94% | 0.941 | 75% | 0.747 | S | S | * | * | | | trans | -104.4 | 114 | 171.8 | -78.7 | -30.2 | 0 | 0 | 0 | 109.4 | | |
| 1379 | S | 41.2 | Very low | 33.2 | Very low | 109 Ų | 109 | 131.1 Ų | 131.1 | 76% | 0.762 | 73% | 0.734 | S | S | * | * | | | trans | -129.9 | 154.9 | -173.2 | 54.4 | 0 | 0 | 0 | 0 | 113.3 | | |
| 1380 | N | 36.4 | Very low | 32.8 | Very low | 147 Ų | 147 | 129.1 Ų | 129.1 | 79% | 0.786 | 73% | 0.728 | S | S | * | * | | | trans | -71.9 | -177.4 | 176.5 | -60.2 | -62.6 | 0 | 0 | 0 | 112.9 | | |
| 1381 | L | 35.1 | Very low | 32.7 | Very low | 157 Ų | 157 | 131.4 Ų | 131.4 | 82% | 0.822 | 73% | 0.731 | S | S | * | * | | | trans | 81.8 | 115.2 | 168.6 | -66.7 | 122.8 | 0 | 0 | 0 | 114.9 | | |
| 1382 | I | 32.5 | Very low | 32.8 | Very low | 141 Ų | 141 | 133.6 Ų | 133.6 | 72% | 0.723 | 74% | 0.738 | S | S | * | * | S | Bend | cis | -141.1 | 159.3 | -6.6 | -5.3 | 178.9 | 0 | 0 | 0 | 108.5 | S1384 | I1382-S1384 PolarHBondContact O-N 3.26Š|
| 1383 | P | 30.6 | Very low | 33.2 | Very low | 116 Ų | 116 | 131.8 Ų | 131.8 | 75% | 0.753 | 74% | 0.737 | S | S | * | * | | | trans | -22 | 102.6 | -142 | 13.4 | -31.5 | 0 | 0 | 0 | 115.5 | T1385 | P1383-T1385 PolarHBondContact O-N 3.47Š|
| 1384 | S | 27.2 | Very low | 33.2 | Very low | 123 Ų | 123 | 127.1 Ų | 127.1 | 86% | 0.86 | 73% | 0.727 | S | S | * | * | | | trans | -65.9 | 91.4 | -165.9 | 169.1 | 0 | 0 | 0 | 0 | 113.8 | I1382 | I1382-S1384 PolarHBondContact O-N 3.26Š|
| 1385 | T | 28.3 | Very low | 33.1 | Very low | 111 Ų | 111 | 122.5 Ų | 122.5 | 68% | 0.681 | 70% | 0.701 | S | S | * | * | | | trans | -143.1 | 170.1 | 168.3 | 60.7 | 0 | 0 | 0 | 0 | 111.9 | P1383 | P1383-T1385 PolarHBondContact O-N 3.47Š|
| 1386 | T | 34.2 | Very low | 33 | Very low | 112 Ų | 112 | 120.3 Ų | 120.3 | 69% | 0.687 | 68% | 0.683 | S | S | * | * | | | trans | 58.7 | 90.6 | 150.1 | 45.7 | 0 | 0 | 0 | 0 | 118.1 | | |
| 1387 | G | 24.2 | Very low | 32.2 | Very low | 63 Ų | 63 | 118.3 Ų | 118.3 | 65% | 0.649 | 68% | 0.676 | S | S | * | * | | | cis | 55.2 | 56.8 | -14.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | P1389 | G1387-P1389 VanDerWaalsContact C-N 3.29Å; G1387-P1389 WeakPolarHBondContact O-CD 3.49Å |
| 1388 | N | 32.8 | Very low | 31.3 | Very low | 145 Ų | 145 | 114 Ų | 114 | 78% | 0.775 | 66% | 0.661 | S | S | * | * | | | | -55.9 | 85 | 99.9 | -60.1 | 6.2 | 0 | 0 | 0 | 114.9 | | |
| 1389 | P | 23.4 | Very low | 30.8 | Very low | 91 Ų | 91 | 110.1 Ų | 110.1 | 59% | 0.591 | 64% | 0.64 | S | S | * | * | | | | -68.8 | 171.1 | 125.1 | 41.5 | -34 | 0 | 0 | 0 | 107.8 | G1387 | G1387-P1389 VanDerWaalsContact C-N 3.29Å; G1387-P1389 WeakPolarHBondContact O-CD 3.49Å |
| 1390 | L | 22 | Very low | 30.3 | Very low | 131 Ų | 131 | 109.3 Ų | 109.3 | 69% | 0.686 | 62% | 0.624 | S | S | * | * | | | trans | 54.2 | 70.6 | 162.3 | -57.9 | -179 | 0 | 0 | 0 | 115.8 | N1392 | L1390-N1392 HydrophobicContact CB-CB 4.16Å; L1390-N1392 HydrophobicContact CD2-CB 4.22Å; L1390-N1392 PolarHBondContact O-N 3.36Å |
| 1391 | Y | 29.6 | Very low | 29.9 | Very low | 218 Ų | 218 | 108.1 Ų | 108.1 | 86% | 0.855 | 63% | 0.626 | S | S | * | * | | | | -66.4 | 96.2 | 117.8 | -122.5 | -57.7 | 0 | 0 | 0 | 105.9 | V1393 | Y1391-V1393 HydrophobicContact CD1-CG2 3.79Å; Y1391-V1393 PolarHBondContact O-N 2.91Å |
| 1392 | N | 28 | Very low | 29.6 | Very low | 114 Ų | 114 | 105.7 Ų | 105.7 | 61% | 0.61 | 61% | 0.61 | S | S | * | * | | | trans | -78 | 89.9 | -176.1 | -163.9 | 23.8 | 0 | 0 | 0 | 108.8 | L1390 | L1390-N1392 HydrophobicContact CB-CB 4.16Å; L1390-N1392 HydrophobicContact CD2-CB 4.22Å; L1390-N1392 PolarHBondContact O-N 3.36Å |
| 1393 | V | 31.5 | Very low | 29.6 | Very low | 82 Ų | 82 | 107 Ų | 107 | 50% | 0.497 | 62% | 0.617 | S | S | . | * | | | trans | -137.5 | 115 | -175.5 | -179.8 | 0 | 0 | 0 | 0 | 108.7 | Y1391 K1640 | Y1391-V1393 HydrophobicContact CD1-CG2 3.79Å; Y1391-V1393 PolarHBondContact O-N 2.91Å; V1393-K1640 VanDerWaalsContact CG1-NZ 3.33Å |
| 1394 | S | 32.7 | Very low | 29.5 | Very low | 83 Ų | 83 | 105.9 Ų | 105.9 | 58% | 0.58 | 61% | 0.608 | S | S | * | * | | | trans | 73.1 | 66.9 | -170.4 | -17.3 | 0 | 0 | 0 | 0 | 113.2 | K1640 | S1394-K1640 WeakPolarHBondContact OG-CE 3.48Å; S1394-K1640 PolarHBondContact OG-NZ 3.26Å |
| 1395 | E | 31 | Very low | 29.9 | Very low | 49 Ų | 49 | 107.4 Ų | 107.4 | 23% | 0.229 | 61% | 0.605 | C | S | . | * | | | cis | 67.1 | 107.5 | 35 | -152.8 | -151.7 | 139.2 | 0 | 0 | 110.7 | S1637 K1640 | E1395-S1637 WeakPolarHBondContact OE1-CA 2.84Å; E1395-K1640 CarbonylContact C-O 3.15Å; E1395-K1640 HydrophobicContact CB-CB 3.82Å; E1395-K1640 HydrophobicContact CB-CD 4.24Å; E1395-K1640 HydrophobicContact CG-CB 3.85Å; E1395-K1640 VanDerWaalsContact CG-O 3.26Å; E1395-K1640 WeakPolarHBondContact CG-O 3.19Å; E1395-K1640 WeakPolarHBondContact OE1-CB 3.23Å; E1395-K1640 VanDerWaalsContact OE1-O 3.08Å; E1395-K1640 WeakPolarHBondContact OE2-CB 3.23Å; E1395-K1640 VanDerWaalsContact OE2-CD 3.32Å; E1395-K1640 WeakPolarHBondContact OE2-CD 3.38Å |
| 1396 | T | 33 | Very low | 30 | Very low | 70 Ų | 70 | 107.3 Ų | 107.3 | 43% | 0.429 | 61% | 0.609 | S | S | . | * | | | trans | 64.2 | 158 | -179.6 | 54.7 | 0 | 0 | 0 | 0 | 124.1 | K1640 E1641 P1642 | T1396-K1640 VanDerWaalsContact CB-O 3.25Å; T1396-K1640 WeakPolarHBondContact CB-O 3.01Å; T1396-K1640 WeakPolarHBondContact CG2-O 3.45Å; T1396-K1640 WeakPolarHBondContact OG1-CA 3.49Å; T1396-K1640 PolarHBondContact OG1-O 2.9Å; T1396-E1641 HydrophobicContact CG2-CB 4.21Å; T1396-E1641 HydrophobicContact CG2-CG 3.45Å; T1396-E1641 VanDerWaalsContact CG2-CG 3.45Å; T1396-P1642 VanDerWaalsContact OG1-CD 3.23Å; T1396-P1642 WeakPolarHBondContact OG1-CD 3.4Å |
| 1397 | I | 33.8 | Very low | 29.9 | Very low | 125 Ų | 125 | 110.9 Ų | 110.9 | 64% | 0.641 | 62% | 0.615 | S | S | * | * | | | cis | -120.6 | 140.6 | 21.6 | -47.9 | 178.8 | 0 | 0 | 0 | 114.3 | P1642 | I1397-P1642 HydrophobicContact CB-CG 4.39Å; I1397-P1642 HydrophobicContact CD1-CG 3.8Å; I1397-P1642 HydrophobicContact CG1-CG 3.66Å; I1397-P1642 HydrophobicContact CG2-CG 4.04Å |
| 1398 | G | 28.2 | Very low | 30.4 | Very low | 31 Ų | 31 | 119.1 Ų | 119.1 | 32% | 0.32 | 63% | 0.626 | S | S | . | * | | | trans | -95.1 | 152.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q1645 | G1398-Q1645 VanDerWaalsContact C-CD 3.49Å; G1398-Q1645 WeakPolarHBondContact O-CG 3.18Å |
| 1399 | N | 32.4 | Very low | 30.5 | Very low | 95 Ų | 95 | 119.8 Ų | 119.8 | 51% | 0.508 | 63% | 0.625 | S | S | . | * | | | trans | -146.6 | 150.9 | 163.9 | -105.1 | -74.5 | 0 | 0 | 0 | 110.5 | Q1645 S1646 | N1399-Q1645 VanDerWaalsContact N-OE1 3.14Å; N1399-Q1645 WeakPolarHBondContact OD1-CA 2.86Å; N1399-S1646 PolarHBondContact OD1-N 3.35Å; N1399-S1646 PolarHBondContact OD1-OG 2.8Å |
| 1400 | H | 29.7 | Very low | 31.1 | Very low | 91 Ų | 91 | 121.7 Ų | 121.7 | 42% | 0.421 | 63% | 0.63 | S | S | . | * | | | trans | -83.9 | 136.5 | -171 | -76.7 | 9 | 0 | 0 | 0 | 113.9 | Q1645 D1647 | H1400-Q1645 PolarHBondContact CE1-OE1 2.91Å; H1400-Q1645 PolarHBondContact ND1-OE1 3.24Å; H1400-D1647 WeakPolarHBondContact CB-OD1 3.26Å; H1400-D1647 IonicContact CD2-OD1 3.75Å; H1400-D1647 PolarHBondContact CD2-OD1 2.83Å; H1400-D1647 IonicContact CD2-OD2 3.69Å; H1400-D1647 IonicContact CG-OD1 3.74Å |
| 1401 | C | 28 | Very low | 31.5 | Very low | 122 Ų | 122 | 122.7 Ų | 122.7 | 82% | 0.824 | 64% | 0.636 | S | S | * | * | | | trans | -142.1 | 107.2 | 156.4 | -79.1 | 0 | 0 | 0 | 0 | 106.1 | | |
| 1402 | H | 29.2 | Very low | 31.5 | Very low | 107 Ų | 107 | 117.7 Ų | 117.7 | 50% | 0.495 | 63% | 0.628 | S | S | . | * | | | cis | 82.1 | 42.4 | 40.6 | -146.7 | -55.6 | 0 | 0 | 0 | 115.5 | D1647 | H1402-D1647 IonicContact CD2-OD1 2.71Š|
| 1403 | I | 32.1 | Very low | 31.6 | Very low | 169 Ų | 169 | 118.7 Ų | 118.7 | 87% | 0.867 | 64% | 0.639 | S | S | * | * | | | trans | -77.1 | 144.4 | 167.3 | -64.1 | 176.2 | 0 | 0 | 0 | 110.9 | | |
| 1404 | T | 29.1 | Very low | 31.4 | Very low | 91 Ų | 91 | 121.1 Ų | 121.1 | 56% | 0.558 | 65% | 0.647 | S | S | * | * | | | trans | -137.9 | 126.4 | -177.3 | -71 | 0 | 0 | 0 | 0 | 112.1 | | |
| 1405 | I | 34.1 | Very low | 31.4 | Very low | 155 Ų | 155 | 122.7 Ų | 122.7 | 80% | 0.795 | 65% | 0.654 | S | S | * | * | | | trans | 57.2 | 118.2 | 164.9 | -60.8 | 165.3 | 0 | 0 | 0 | 117.4 | | |
| 1406 | S | 31.5 | Very low | 31.3 | Very low | 109 Ų | 109 | 127.3 Ų | 127.3 | 76% | 0.762 | 68% | 0.68 | S | S | * | * | | | trans | -156.4 | 134.2 | 155 | -98 | 0 | 0 | 0 | 0 | 116 | | |
| 1407 | K | 31.2 | Very low | 31 | Very low | 187 Ų | 187 | 131.5 Ų | 131.5 | 81% | 0.813 | 70% | 0.699 | S | S | * | * | | | trans | 31.9 | 99.7 | 146.6 | -60.1 | 174.6 | -176.4 | 170.5 | 0 | 119.5 | | |
| 1408 | R | 35.5 | Very low | 30.8 | Very low | 236 Ų | 236 | 133.9 Ų | 133.9 | 89% | 0.891 | 71% | 0.707 | S | S | * | * | | | | -167.3 | 133.4 | 126.8 | -103.4 | 162.3 | -157.2 | -142 | 6.3 | 108.3 | | |
| 1409 | Q | 35.1 | Very low | 30.8 | Very low | 159 Ų | 159 | 136.7 Ų | 136.7 | 74% | 0.743 | 72% | 0.722 | S | S | * | * | | | cis | 68.8 | 100.9 | 37.1 | -155.6 | 165.8 | 3.3 | 0 | 0 | 108.6 | | |
| 1410 | D | 36 | Very low | 30.5 | Very low | 132 Ų | 132 | 139.8 Ų | 139.8 | 71% | 0.706 | 74% | 0.737 | S | S | * | * | | | cis | -145.1 | -177.6 | 36.5 | -73 | -67.9 | 0 | 0 | 0 | 115.8 | | |
| 1411 | N | 30.6 | Very low | 30.4 | Very low | 152 Ų | 152 | 141.6 Ų | 141.6 | 81% | 0.813 | 75% | 0.75 | S | S | * | * | | | trans | 72 | 60 | 160.2 | -65 | -24.5 | 0 | 0 | 0 | 119.3 | | |
| 1412 | T | 28.4 | Very low | 30.3 | Very low | 112 Ų | 112 | 142 Ų | 142 | 69% | 0.687 | 74% | 0.743 | S | S | * | * | | | trans | -6.3 | 115.1 | 142.9 | 49.6 | 0 | 0 | 0 | 0 | 119.4 | I1414 | T1412-I1414 HydrophobicContact CG2-CD1 4.13Š|
| 1413 | T | 30.7 | Very low | 30.3 | Very low | 136 Ų | 136 | 143.4 Ų | 143.4 | 83% | 0.834 | 76% | 0.755 | S | S | * | * | | | trans | -164.9 | 97.4 | 133.6 | -65.6 | 0 | 0 | 0 | 0 | 106 | | |
| 1414 | I | 27.9 | Very low | 30.3 | Very low | 132 Ų | 132 | 140 Ų | 140 | 68% | 0.677 | 75% | 0.746 | S | S | * | * | | | | 60.9 | 88.5 | 59.7 | -49.4 | 173.1 | 0 | 0 | 0 | 109.5 | T1412 | T1412-I1414 HydrophobicContact CG2-CD1 4.13Š|
| 1415 | T | 32.5 | Very low | 30.4 | Very low | 116 Ų | 116 | 143.7 Ų | 143.7 | 71% | 0.712 | 76% | 0.762 | S | S | * | * | | | | -160.8 | 165.4 | 63.9 | 44.5 | 0 | 0 | 0 | 0 | 112.8 | | |
| 1416 | N | 29.2 | Very low | 30.1 | Very low | 146 Ų | 146 | 141.4 Ų | 141.4 | 78% | 0.781 | 76% | 0.759 | S | S | * | * | | | trans | 53.6 | 134.9 | 153.7 | -71.4 | 3.6 | 0 | 0 | 0 | 119.4 | | |
| 1417 | L | 26 | Very low | 30 | Very low | 158 Ų | 158 | 143.1 Ų | 143.1 | 83% | 0.827 | 77% | 0.765 | S | S | * | * | | | cis | 51.6 | 69 | 23.8 | -76.6 | 176.4 | 0 | 0 | 0 | 115 | | |
| 1418 | Q | 30.7 | Very low | 30 | Very low | 176 Ų | 176 | 139.4 Ų | 139.4 | 82% | 0.822 | 75% | 0.749 | S | S | * | * | | | | -175.9 | 150.7 | 109.4 | -103.8 | -176.4 | -14.1 | 0 | 0 | 114.4 | | |
| 1419 | S | 28 | Very low | 29.6 | Very low | 89 Ų | 89 | 133.3 Ų | 133.3 | 62% | 0.622 | 73% | 0.733 | S | S | * | * | | | trans | 51.1 | 109.5 | 149.9 | -53.7 | 0 | 0 | 0 | 0 | 118.5 | | |
| 1420 | I | 25.9 | Very low | 29.3 | Very low | 160 Ų | 160 | 132.1 Ų | 132.1 | 82% | 0.821 | 74% | 0.736 | S | S | * | * | | | | 39.2 | 101.7 | 87.2 | -50.2 | 169.1 | 0 | 0 | 0 | 112.2 | | |
| 1421 | N | 26.6 | Very low | 29.2 | Very low | 130 Ų | 130 | 129.7 Ų | 129.7 | 70% | 0.695 | 73% | 0.73 | S | S | * | * | | | | -173.9 | 128.3 | 102.5 | -147.4 | 5.7 | 0 | 0 | 0 | 114.3 | | |
| 1422 | N | 26 | Very low | 29 | Very low | 129 Ų | 129 | 128.1 Ų | 128.1 | 69% | 0.69 | 73% | 0.726 | S | S | * | * | | | trans | 59 | 145.2 | 151 | -71.7 | -18.8 | 0 | 0 | 0 | 124.5 | | |
| 1423 | N | 29.7 | Very low | 29.1 | Very low | 138 Ų | 138 | 127.8 Ų | 127.8 | 74% | 0.738 | 72% | 0.724 | S | S | * | * | | | trans | 80.4 | 79.8 | 150.6 | -64 | -2.3 | 0 | 0 | 0 | 121.6 | | |
| 1424 | S | 31.7 | Very low | 29 | Very low | 96 Ų | 96 | 127 Ų | 127 | 67% | 0.671 | 72% | 0.721 | S | S | * | * | | | | 52.1 | 110.6 | 115.7 | 65.1 | 0 | 0 | 0 | 0 | 121.2 | | |
| 1425 | N | 32.1 | Very low | 29 | Very low | 169 Ų | 169 | 128.5 Ų | 128.5 | 90% | 0.904 | 72% | 0.723 | S | S | * | * | | | | -173.7 | 162.8 | 118.9 | -95.1 | -41.8 | 0 | 0 | 0 | 111.8 | | |
| 1426 | C | 27.5 | Very low | 28.8 | Very low | 108 Ų | 108 | 128 Ų | 128 | 73% | 0.73 | 72% | 0.724 | S | S | * | * | | | trans | -109.5 | 141.6 | -166.4 | -55.1 | 0 | 0 | 0 | 0 | 114.4 | | |
| 1427 | T | 29.6 | Very low | 28.7 | Very low | 144 Ų | 144 | 128.5 Ų | 128.5 | 88% | 0.883 | 73% | 0.726 | S | S | * | * | | | trans | -178.8 | 161.9 | 153.2 | -88.8 | 0 | 0 | 0 | 0 | 111.5 | | |
| 1428 | K | 29.8 | Very low | 28.8 | Very low | 110 Ų | 110 | 126.2 Ų | 126.2 | 48% | 0.478 | 72% | 0.723 | S | S | . | * | | | | 176.5 | 89.5 | -59.2 | 173.3 | -178.3 | 163.4 | -175.8 | 0 | 110.2 | K278 P279 | K278-K1428 PolarHBondContact O-NZ 3.03Å; P279-K1428 HydrophobicContact CB-CD 3.87Å |
| 1429 | I | 28.2 | Very low | 28.6 | Very low | 107 Ų | 107 | 127.7 Ų | 127.7 | 55% | 0.549 | 72% | 0.723 | S | S | . | * | | | trans | 72.8 | 135 | 167.1 | -43.3 | 152.8 | 0 | 0 | 0 | 117.5 | R280 | R280-I1429 VanDerWaalsContact NH1-CD1 3.27Š|
| 1430 | T | 29 | Very low | 28.8 | Very low | 134 Ų | 134 | 130.6 Ų | 130.6 | 82% | 0.822 | 73% | 0.726 | S | S | * | * | | | trans | -149.1 | 143.3 | 159 | -54.2 | 0 | 0 | 0 | 0 | 105.8 | | |
| 1431 | S | 32.5 | Very low | 29.4 | Very low | 82 Ų | 82 | 128.8 Ų | 128.8 | 57% | 0.573 | 72% | 0.718 | S | S | * | * | | | cis | -172.9 | 160.7 | -31.9 | 61.8 | 0 | 0 | 0 | 0 | 105.5 | | |
| 1432 | T | 27.7 | Very low | 29.7 | Very low | 118 Ų | 118 | 128.2 Ų | 128.2 | 72% | 0.724 | 72% | 0.721 | S | S | * | * | | | trans | 36.9 | 134.4 | 138.2 | 60.9 | 0 | 0 | 0 | 0 | 120.7 | | |
| 1433 | T | 30.9 | Very low | 30.4 | Very low | 106 Ų | 106 | 128.2 Ų | 128.2 | 65% | 0.65 | 72% | 0.722 | S | S | * | * | | | | -122 | 149.5 | 52.6 | 54.3 | 0 | 0 | 0 | 0 | 114 | F1435 | T1433-F1435 HydrophobicContact CG2-CD2 3.81Å; T1433-F1435 HydrophobicContact CG2-CE2 3.57Å |
| 1434 | P | 27.1 | Very low | 31.2 | Very low | 119 Ų | 119 | 128 Ų | 128 | 77% | 0.773 | 73% | 0.726 | S | S | * | * | | | | -121.1 | 155.7 | 91.5 | 36.5 | -35.2 | 0 | 0 | 0 | 114.6 | | |
| 1435 | F | 27.7 | Very low | 31.2 | Very low | 163 Ų | 163 | 129.2 Ų | 129.2 | 72% | 0.715 | 72% | 0.722 | S | S | * | * | | | trans | -107.4 | 156 | 160.6 | -72.8 | -84.2 | 0 | 0 | 0 | 107.8 | T1433 | T1433-F1435 HydrophobicContact CG2-CD2 3.81Å; T1433-F1435 HydrophobicContact CG2-CE2 3.57Å |
| 1436 | S | 29.6 | Very low | 31.7 | Very low | 105 Ų | 105 | 127.5 Ų | 127.5 | 73% | 0.734 | 71% | 0.713 | S | S | * | * | | | cis | -141 | 131.9 | 27.9 | -61.8 | 0 | 0 | 0 | 0 | 115.1 | | |
| 1437 | L | 26.7 | Very low | 32.6 | Very low | 158 Ų | 158 | 130.6 Ų | 130.6 | 83% | 0.827 | 72% | 0.716 | S | S | * | * | | | | 43.6 | 100.3 | 128.8 | -63.6 | 157.5 | 0 | 0 | 0 | 119.4 | | |
| 1438 | S | 27.3 | Very low | 32.7 | Very low | 109 Ų | 109 | 129 Ų | 129 | 76% | 0.762 | 70% | 0.702 | S | S | * | * | | | trans | -159.2 | 113.5 | 147.3 | -168.7 | 0 | 0 | 0 | 0 | 113.1 | | |
| 1439 | Y | 28 | Very low | 32.9 | Very low | 208 Ų | 208 | 130.5 Ų | 130.5 | 82% | 0.816 | 71% | 0.714 | S | S | * | * | | | trans | 58.8 | 149.9 | 151.9 | -84.4 | -85.5 | 0 | 0 | 0 | 125.6 | | |
| 1440 | H | 32.2 | Very low | 33.7 | Very low | 150 Ų | 150 | 129.5 Ų | 129.5 | 69% | 0.694 | 71% | 0.714 | S | S | * | * | | | trans | 71.3 | 97.9 | 155.8 | -81.9 | -63.6 | 0 | 0 | 0 | 123.6 | | |
| 1441 | D | 37.3 | Very low | 34 | Very low | 121 Ų | 121 | 133 Ų | 133 | 65% | 0.647 | 71% | 0.712 | S | S | * | * | | | | 100.3 | 105.6 | 114.4 | -116.6 | -66.4 | 0 | 0 | 0 | 120.7 | | |
| 1442 | P | 33 | Very low | 33.9 | Very low | 118 Ų | 118 | 134.7 Ų | 134.7 | 77% | 0.766 | 71% | 0.714 | S | S | * | * | | | trans | -109.3 | 103.8 | -178.1 | 37.3 | -27 | 0 | 0 | 0 | 113.6 | | |
| 1443 | N | 41.8 | Very low | 34.2 | Very low | 130 Ų | 130 | 137.7 Ų | 137.7 | 70% | 0.695 | 73% | 0.725 | S | S | * | * | | | trans | -143.6 | 3 | 171.8 | -120.1 | -35.6 | 0 | 0 | 0 | 118.3 | | |
| 1444 | T | 45.4 | Very low | 34.5 | Very low | 134 Ų | 134 | 135.8 Ų | 135.8 | 82% | 0.822 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -128.7 | 27.6 | -173.8 | -23.2 | 0 | 0 | 0 | 0 | 115.9 | | |
| 1445 | M | 32.7 | Very low | 34.9 | Very low | 121 Ų | 121 | 138 Ų | 138 | 60% | 0.596 | 72% | 0.718 | S | S | * | * | | | trans | -130.4 | 19.3 | 161.3 | -142.4 | -165 | -62.1 | 0 | 0 | 115.1 | Q1447 L1448 L1449 | M1445-Q1447 CarbonylContact O-C 3.57Å; M1445-Q1447 PolarHBondContact O-N 3.36Å; M1445-L1448 PolarHBondContact O-N 3.28Å; M1445-L1449 PolarHBondContact O-N 2.62Å; M1445-L1449 HydrophobicContact SD-CD1 3.85Å |
| 1446 | N | 42.9 | Very low | 35.1 | Very low | 133 Ų | 133 | 135.8 Ų | 135.8 | 71% | 0.711 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.4 | -9.8 | 154.7 | -87.1 | -37.8 | 0 | 0 | 0 | 112.2 | L1448 T1450 | N1446-L1448 VanDerWaalsContact C-N 3.32Å; N1446-L1448 PolarHBondContact O-N 3.24Å; N1446-T1450 PolarHBondContact O-OG1 3.35Å |
| 1447 | Q | 44.8 | Very low | 35.1 | Very low | 172 Ų | 172 | 135 Ų | 135 | 80% | 0.804 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.5 | 71.4 | 156.6 | -61.5 | -169.4 | 16.1 | 0 | 0 | 110.3 | M1445 | M1445-Q1447 CarbonylContact O-C 3.57Å; M1445-Q1447 PolarHBondContact O-N 3.36Å |
| 1448 | L | 31.8 | Very low | 35.3 | Very low | 112 Ų | 112 | 133.6 Ų | 133.6 | 59% | 0.586 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 92.6 | 47.5 | 163.5 | -51 | 173.2 | 0 | 0 | 0 | 120.2 | M1445 N1446 T1450 R1451 | M1445-L1448 PolarHBondContact O-N 3.28Å; N1446-L1448 VanDerWaalsContact C-N 3.32Å; N1446-L1448 PolarHBondContact O-N 3.24Å; L1448-T1450 VanDerWaalsContact C-N 3.25Å; L1448-T1450 PolarHBondContact N-OG1 3.18Å; L1448-R1451 HydrophobicContact CD2-CB 4.03Å; L1448-R1451 HydrophobicContact CD2-CG 3.94Å |
| 1449 | L | 35.3 | Very low | 35.4 | Very low | 140 Ų | 140 | 136.5 Ų | 136.5 | 73% | 0.733 | 72% | 0.719 | S | S | * | * | S | Bend | | -82.3 | -11.1 | 122.8 | -124.7 | 81.7 | 0 | 0 | 0 | 112.4 | M1445 R1451 | M1445-L1449 PolarHBondContact O-N 2.62Å; M1445-L1449 HydrophobicContact SD-CD1 3.85Å; L1449-R1451 PolarHBondContact O-N 3.34Å; L1449-R1451 VanDerWaalsContact O-N 3.09Å |
| 1450 | T | 43.5 | Very low | 35.5 | Very low | 87 Ų | 87 | 136 Ų | 136 | 53% | 0.534 | 72% | 0.717 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66.9 | 0 | 178.6 | -7 | 0 | 0 | 0 | 0 | 115.1 | N1446 L1448 | N1446-T1450 PolarHBondContact O-OG1 3.35Å; L1448-T1450 VanDerWaalsContact C-N 3.25Å; L1448-T1450 PolarHBondContact N-OG1 3.18Å |
| 1451 | R | 36.6 | Very low | 35.2 | Very low | 208 Ų | 208 | 133.9 Ų | 133.9 | 79% | 0.785 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -142.8 | 104.9 | 166 | -68.4 | -163.3 | 175.8 | 177.6 | 0.9 | 112.2 | L1448 L1449 | L1448-R1451 HydrophobicContact CD2-CB 4.03Å; L1448-R1451 HydrophobicContact CD2-CG 3.94Å; L1449-R1451 PolarHBondContact O-N 3.34Å; L1449-R1451 VanDerWaalsContact O-N 3.09Å |
| 1452 | L | 30 | Very low | 34.6 | Very low | 117 Ų | 117 | 139.6 Ų | 139.6 | 61% | 0.613 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | cis | -162.3 | 103.9 | -16.6 | -119.5 | 151.7 | 0 | 0 | 0 | 107.1 | S1454 | L1452-S1454 WeakPolarHBondContact CD2-OG 3.18Š|
| 1453 | N | 34.1 | Very low | 34.7 | Very low | 181 Ų | 181 | 139.2 Ų | 139.2 | 97% | 0.968 | 73% | 0.729 | S | S | * | * | | | trans | -95.5 | 82.6 | 157.5 | -106.2 | -3.7 | 0 | 0 | 0 | 107.7 | | |
| 1454 | S | 37.5 | Very low | 34.1 | Very low | 66 Ų | 66 | 138.9 Ų | 138.9 | 46% | 0.462 | 73% | 0.728 | S | S | . | * | | | trans | -127.5 | 152 | 162 | 76.3 | 0 | 0 | 0 | 0 | 108.3 | L1452 | L1452-S1454 WeakPolarHBondContact CD2-OG 3.18Š|
| 1455 | M | 34.1 | Very low | 33.4 | Very low | 164 Ų | 164 | 139.7 Ų | 139.7 | 81% | 0.808 | 72% | 0.722 | S | S | * | * | S | Bend | trans | 81.4 | 140.9 | -179.3 | -55.1 | -56 | 107.7 | 0 | 0 | 113.5 | | |
| 1456 | P | 32.8 | Very low | 33.4 | Very low | 117 Ų | 117 | 137.7 Ų | 137.7 | 76% | 0.76 | 72% | 0.72 | S | S | * | * | | | | -131.7 | 179.3 | -113.9 | 42.5 | -30.1 | 0 | 0 | 0 | 115.1 | | |
| 1457 | A | 30.3 | Very low | 32.8 | Very low | 88 Ų | 88 | 141.4 Ų | 141.4 | 73% | 0.727 | 72% | 0.724 | S | S | * | * | | | trans | -71.1 | 171.8 | 165.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 1458 | T | 29.5 | Very low | 32.2 | Very low | 129 Ų | 129 | 138.8 Ų | 138.8 | 79% | 0.791 | 72% | 0.716 | S | S | * | * | | | trans | -49 | 133 | 172.4 | 49.2 | 0 | 0 | 0 | 0 | 114.5 | | |
| 1459 | H | 30.9 | Very low | 32 | Very low | 170 Ų | 170 | 140.1 Ų | 140.1 | 79% | 0.787 | 72% | 0.721 | S | S | * | * | | | trans | -162.8 | 128.2 | 147.5 | -107.2 | -83.6 | 0 | 0 | 0 | 112.4 | | |
| 1460 | Y | 28.6 | Very low | 31.7 | Very low | 197 Ų | 197 | 140 Ų | 140 | 77% | 0.773 | 72% | 0.719 | S | S | * | * | | | trans | 54.7 | 110.1 | 144.9 | -79.1 | -124.1 | 0 | 0 | 0 | 121.8 | | |
| 1461 | S | 25.6 | Very low | 31 | Very low | 106 Ų | 106 | 145.5 Ų | 145.5 | 74% | 0.741 | 73% | 0.73 | S | S | * | * | | | | 45.6 | 135.9 | 105.4 | -52.2 | 0 | 0 | 0 | 0 | 122.9 | | |
| 1462 | R | 26.5 | Very low | 30.7 | Very low | 242 Ų | 242 | 140 Ų | 140 | 91% | 0.913 | 72% | 0.72 | S | S | * | * | | | trans | 92.3 | 151.1 | 153.9 | -85.2 | -169.8 | 167.3 | 175.5 | -3.2 | 120.1 | | |
| 1463 | P | 33.5 | Very low | 30.9 | Very low | 109 Ų | 109 | 142.1 Ų | 142.1 | 71% | 0.708 | 73% | 0.726 | S | S | * | * | | | trans | -78.1 | 175.8 | 179 | 38.6 | -39.5 | 0 | 0 | 0 | 111.3 | | |
| 1464 | D | 30 | Very low | 30.8 | Very low | 124 Ų | 124 | 138.9 Ų | 138.9 | 66% | 0.663 | 72% | 0.718 | S | S | * | * | | | cis | -163.2 | 170 | 46.6 | -148.8 | -6.2 | 0 | 0 | 0 | 116.7 | | |
| 1465 | Q | 31.4 | Very low | 30.2 | Very low | 151 Ų | 151 | 142.3 Ų | 142.3 | 71% | 0.706 | 74% | 0.741 | S | S | * | * | | | trans | 0.7 | 148.9 | 153.4 | -82.3 | 168.6 | 88.4 | 0 | 0 | 120.5 | | |
| 1466 | S | 32 | Very low | 30.2 | Very low | 78 Ų | 78 | 140.2 Ų | 140.2 | 55% | 0.545 | 74% | 0.742 | S | S | . | * | | | cis | -175.3 | 165.8 | 9.3 | 50.8 | 0 | 0 | 0 | 0 | 113.6 | | |
| 1467 | R | 30.9 | Very low | 29.9 | Very low | 211 Ų | 211 | 146.4 Ų | 146.4 | 80% | 0.796 | 75% | 0.75 | S | S | * | * | | | trans | 61.3 | 152.7 | 151.3 | -68 | 157.5 | -170.4 | 174.2 | 5.5 | 117.2 | | |
| 1468 | N | 30.5 | Very low | 29.9 | Very low | 118 Ų | 118 | 145.4 Ų | 145.4 | 63% | 0.631 | 75% | 0.749 | S | S | * | * | | | cis | -148 | 128.5 | -0.4 | -113.5 | -0.4 | 0 | 0 | 0 | 107.3 | | |
| 1469 | M | 28 | Very low | 29.9 | Very low | 140 Ų | 140 | 149.2 Ų | 149.2 | 69% | 0.69 | 75% | 0.754 | S | S | * | * | | | | 74.5 | 143.5 | 91.1 | -77.9 | -146.3 | -61 | 0 | 0 | 117.9 | | |
| 1470 | I | 29.6 | Very low | 29.7 | Very low | 138 Ų | 138 | 145.2 Ų | 145.2 | 71% | 0.708 | 75% | 0.745 | S | S | * | * | | | trans | 74.7 | 133.1 | 151.5 | -74.6 | 163.6 | 0 | 0 | 0 | 115.8 | | |
| 1471 | R | 27.8 | Very low | 29.9 | Very low | 201 Ų | 201 | 147 Ų | 147 | 76% | 0.758 | 75% | 0.751 | S | S | * | * | | | cis | -158.5 | 147.4 | 3.5 | -126 | -176.4 | -169.5 | -169.1 | 3 | 112.7 | | |
| 1472 | T | 30.2 | Very low | 30.1 | Very low | 93 Ų | 93 | 150.5 Ų | 150.5 | 57% | 0.571 | 75% | 0.749 | S | S | * | * | | | trans | 21.5 | 145.1 | 134.4 | 61.7 | 0 | 0 | 0 | 0 | 121.4 | | |
| 1473 | H | 34.9 | Very low | 30.1 | Very low | 161 Ų | 161 | 149 Ų | 149 | 75% | 0.745 | 75% | 0.745 | S | S | * | * | | | | -167.7 | 172.9 | 55.2 | -90.6 | -70.9 | 0 | 0 | 0 | 114.1 | | |
| 1474 | S | 32.6 | Very low | 29.9 | Very low | 114 Ų | 114 | 148.7 Ų | 148.7 | 80% | 0.797 | 75% | 0.745 | S | S | * | * | | | trans | 82.1 | 110.8 | 149.3 | -64.7 | 0 | 0 | 0 | 0 | 120.9 | | |
| 1475 | C | 25.1 | Very low | 30 | Very low | 138 Ų | 138 | 151.6 Ų | 151.6 | 93% | 0.932 | 75% | 0.754 | S | S | * | * | | | trans | -104.7 | 141.9 | 159.9 | -53.2 | 0 | 0 | 0 | 0 | 110.9 | | |
| 1476 | S | 33.1 | Very low | 30 | Very low | 119 Ų | 119 | 148.2 Ų | 148.2 | 83% | 0.832 | 76% | 0.76 | S | S | * | * | | | trans | -161.9 | 157.9 | 165.3 | 57.2 | 0 | 0 | 0 | 0 | 111.7 | | |
| 1477 | R | 27.9 | Very low | 30 | Very low | 247 Ų | 247 | 150.5 Ų | 150.5 | 93% | 0.932 | 78% | 0.776 | S | S | * | * | | | cis | 177 | 111.9 | -42.4 | 165.9 | 175.1 | 170.2 | 176.8 | -3.3 | 107.2 | | |
| 1478 | G | 29.9 | Very low | 29.9 | Very low | 68 Ų | 68 | 145.5 Ų | 145.5 | 70% | 0.701 | 78% | 0.78 | S | S | * | * | | | trans | 133.1 | 117.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 1479 | K | 29.1 | Very low | 29.8 | Very low | 209 Ų | 209 | 145.3 Ų | 145.3 | 91% | 0.909 | 79% | 0.788 | S | S | * | * | | | cis | 83.9 | 104.1 | 44.6 | -71.9 | -159.1 | 171.5 | -170 | 0 | 115.6 | | |
| 1480 | S | 26.3 | Very low | 30.1 | Very low | 85 Ų | 85 | 145 Ų | 145 | 59% | 0.594 | 79% | 0.794 | S | S | * | * | | | trans | 67.6 | 117.1 | 135.5 | -164.7 | 0 | 0 | 0 | 0 | 121 | | |
| 1481 | R | 32.9 | Very low | 30.3 | Very low | 236 Ų | 236 | 144.1 Ų | 144.1 | 89% | 0.891 | 80% | 0.796 | S | S | * | * | | | | 170.5 | 158.6 | 118 | -90.3 | 167.6 | -68.5 | 174.1 | 2.2 | 111.3 | | |
| 1482 | Y | 30.4 | Very low | 30.5 | Very low | 179 Ų | 179 | 142 Ų | 142 | 70% | 0.702 | 80% | 0.8 | S | S | * | * | | | cis | -176.6 | 112.9 | -35.3 | -135.4 | -100.1 | 0 | 0 | 0 | 106.7 | | |
| 1483 | Y | 26.4 | Very low | 30.7 | Very low | 210 Ų | 210 | 142.8 Ų | 142.8 | 82% | 0.824 | 81% | 0.807 | S | S | * | * | | | trans | 58 | 167.7 | 163.8 | -69.8 | -106.3 | 0 | 0 | 0 | 117.2 | | |
| 1484 | S | 29.6 | Very low | 30.4 | Very low | 102 Ų | 102 | 139.9 Ų | 139.9 | 71% | 0.713 | 81% | 0.81 | S | S | * | * | | | cis | -149.9 | 152.1 | 14 | -160 | 0 | 0 | 0 | 0 | 112.6 | | |
| 1485 | H | 32 | Very low | 30.2 | Very low | 185 Ų | 185 | 139.5 Ų | 139.5 | 86% | 0.856 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -92.7 | 134.9 | 160.1 | -75.2 | -94.6 | 0 | 0 | 0 | 109.4 | | |
| 1486 | G | 30.8 | Very low | 30.4 | Very low | 80 Ų | 80 | 138.5 Ų | 138.5 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -91.9 | 120.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 1487 | S | 31.7 | Very low | 30 | Very low | 127 Ų | 127 | 139.2 Ų | 139.2 | 89% | 0.888 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 131.4 | 176.6 | -56.1 | 0 | 0 | 0 | 0 | 111.7 | | |
| 1488 | A | 29.6 | Very low | 30 | Very low | 106 Ų | 106 | 136.7 Ų | 136.7 | 88% | 0.876 | 79% | 0.789 | S | S | * | * | | | trans | -124.6 | 86.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 1489 | S | 28.5 | Very low | 29.7 | Very low | 114 Ų | 114 | 138.5 Ų | 138.5 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | | | trans | -150.1 | 131.8 | 169.4 | -175.8 | 0 | 0 | 0 | 0 | 107.9 | | |
| 1490 | V | 32.8 | Very low | 29.4 | Very low | 134 Ų | 134 | 138.8 Ų | 138.8 | 81% | 0.812 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -86.9 | 137.3 | 176 | 177 | 0 | 0 | 0 | 0 | 107.9 | | |
| 1491 | P | 34.2 | Very low | 29.3 | Very low | 118 Ų | 118 | 138.7 Ų | 138.7 | 77% | 0.766 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 126.7 | -179.4 | -2.9 | 19.9 | 0 | 0 | 0 | 110.8 | | |
| 1492 | D | 33.3 | Very low | 29 | Very low | 157 Ų | 157 | 131 Ų | 131 | 84% | 0.84 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -87.1 | 140.2 | 162.1 | -123.3 | -18 | 0 | 0 | 0 | 109.4 | A1494 | D1492-A1494 PolarHBondContact O-N 2.82Š|
| 1493 | P | 33.4 | Very low | 28.8 | Very low | 110 Ų | 110 | 128.7 Ų | 128.7 | 71% | 0.714 | 77% | 0.767 | S | S | * | * | | | trans | -86.6 | 115.7 | -164.7 | 31.9 | -33.4 | 0 | 0 | 0 | 113.5 | S1495 | P1493-S1495 PolarHBondContact O-N 2.68Š|
| 1494 | A | 29.5 | Very low | 28.7 | Very low | 99 Ų | 99 | 122.9 Ų | 122.9 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | | | trans | -65.3 | 130.1 | 159.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | D1492 | D1492-A1494 PolarHBondContact O-N 2.82Š|
| 1495 | S | 28.1 | Very low | 28.6 | Very low | 106 Ų | 106 | 123.8 Ų | 123.8 | 74% | 0.741 | 76% | 0.763 | S | S | * | * | | | trans | -68.5 | 148 | -171.5 | -72 | 0 | 0 | 0 | 0 | 113.7 | P1493 V1497 | P1493-S1495 PolarHBondContact O-N 2.68Å; S1495-V1497 PolarHBondContact O-N 2.86Å |
| 1496 | P | 29 | Very low | 28.6 | Very low | 118 Ų | 118 | 118.7 Ų | 118.7 | 77% | 0.766 | 76% | 0.761 | S | S | * | * | | | trans | -77.7 | 95.2 | -170.7 | 31.1 | -36.4 | 0 | 0 | 0 | 113.3 | R1498 | P1496-R1498 PolarHBondContact O-N 3.18Š|
| 1497 | V | 25.3 | Very low | 28.6 | Very low | 133 Ų | 133 | 121.2 Ų | 121.2 | 81% | 0.806 | 76% | 0.761 | S | S | * | * | | | trans | -76.8 | 75.2 | 161 | -174.7 | 0 | 0 | 0 | 0 | 108.8 | S1495 S1499 | S1495-V1497 PolarHBondContact O-N 2.86Å; V1497-S1499 VanDerWaalsContact C-N 3.33Å; V1497-S1499 PolarHBondContact O-N 3.45Å |
| 1498 | R | 26.4 | Very low | 28.4 | Very low | 195 Ų | 195 | 123.2 Ų | 123.2 | 74% | 0.736 | 76% | 0.756 | S | S | * | * | | | trans | -88.2 | 70.1 | 178.3 | -160.9 | 179.1 | -159.6 | -88.2 | 1.6 | 110.4 | P1496 W1500 | P1496-R1498 PolarHBondContact O-N 3.18Å; R1498-W1500 VanDerWaalsContact O-CD1 3.29Å; R1498-W1500 PolarHBondContact O-N 2.97Å |
| 1499 | S | 25 | Very low | 28.6 | Very low | 106 Ų | 106 | 127.5 Ų | 127.5 | 74% | 0.741 | 76% | 0.757 | S | S | * | * | | | trans | -62.3 | 130 | 168.8 | -62 | 0 | 0 | 0 | 0 | 109.9 | V1497 | V1497-S1499 VanDerWaalsContact C-N 3.33Å; V1497-S1499 PolarHBondContact O-N 3.45Å |
| 1500 | W | 23 | Very low | 28.5 | Very low | 215 Ų | 215 | 127.5 Ų | 127.5 | 81% | 0.814 | 76% | 0.757 | S | S | * | * | | | trans | -95.3 | 135.9 | 172.4 | -62.5 | 44 | 0 | 0 | 0 | 108.6 | R1498 | R1498-W1500 VanDerWaalsContact O-CD1 3.29Å; R1498-W1500 PolarHBondContact O-N 2.97Å |
| 1501 | S | 24.6 | Very low | 28.4 | Very low | 83 Ų | 83 | 128.3 Ų | 128.3 | 58% | 0.58 | 76% | 0.756 | S | S | * | * | | | trans | 179.2 | 101.5 | 134.3 | -80.9 | 0 | 0 | 0 | 0 | 109.7 | | |
| 1502 | S | 25.3 | Very low | 28.1 | Very low | 74 Ų | 74 | 129.3 Ų | 129.3 | 52% | 0.517 | 76% | 0.76 | S | S | . | * | | | trans | -147.1 | 90 | -168.1 | -61.3 | 0 | 0 | 0 | 0 | 108.2 | E1700 | S1502-E1700 WeakPolarHBondContact CB-OE1 3.33Å; S1502-E1700 WeakPolarHBondContact CB-OE2 3.29Å; S1502-E1700 VanDerWaalsContact OG-CD 3.22Å; S1502-E1700 PolarHBondContact OG-OE2 3.39Å |
| 1503 | I | 26.1 | Very low | 27.9 | Very low | 130 Ų | 130 | 128 Ų | 128 | 67% | 0.667 | 75% | 0.754 | S | S | * | * | | | trans | -115.3 | 132.6 | -174.2 | -61.9 | 173.9 | 0 | 0 | 0 | 108.9 | | |
| 1504 | S | 25.7 | Very low | 27.7 | Very low | 89 Ų | 89 | 133.3 Ų | 133.3 | 62% | 0.622 | 76% | 0.759 | S | S | * | * | | | trans | -153.7 | 138.4 | 165.5 | -174.7 | 0 | 0 | 0 | 0 | 112.2 | | |
| 1505 | S | 26.8 | Very low | 27.9 | Very low | 120 Ų | 120 | 135.2 Ų | 135.2 | 84% | 0.839 | 75% | 0.754 | S | S | * | * | | | trans | 58.7 | 127.3 | 164.4 | 70.9 | 0 | 0 | 0 | 0 | 118.9 | | |
| 1506 | G | 31.4 | Very low | 28 | Very low | 79 Ų | 79 | 137.1 Ų | 137.1 | 81% | 0.814 | 75% | 0.754 | S | S | * | * | | | trans | 176.4 | 79.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 1507 | T | 30.3 | Very low | 28 | Very low | 133 Ų | 133 | 136.8 Ų | 136.8 | 82% | 0.816 | 75% | 0.754 | S | S | * | * | | | trans | -55 | 138.1 | -163.8 | -51.1 | 0 | 0 | 0 | 0 | 116.6 | | |
| 1508 | E | 27.9 | Very low | 28.2 | Very low | 168 Ų | 168 | 139.9 Ų | 139.9 | 79% | 0.785 | 76% | 0.756 | S | S | * | * | | | trans | -16 | 127.6 | 160.9 | -58.7 | 168 | -153.9 | 0 | 0 | 118.7 | | |
| 1509 | H | 33.9 | Very low | 28.3 | Very low | 197 Ų | 197 | 136.6 Ų | 136.6 | 91% | 0.912 | 76% | 0.764 | S | S | * | * | | | trans | -140.6 | 119.4 | 136.2 | -82.3 | -40.6 | 0 | 0 | 0 | 109.8 | | |
| 1510 | S | 26.7 | Very low | 28.5 | Very low | 113 Ų | 113 | 142.8 Ų | 142.8 | 79% | 0.79 | 77% | 0.771 | S | S | * | * | | | trans | -90.2 | 136.1 | 172.9 | 60 | 0 | 0 | 0 | 0 | 110.8 | | |
| 1511 | L | 31.2 | Very low | 28.9 | Very low | 152 Ų | 152 | 141.8 Ų | 141.8 | 80% | 0.796 | 77% | 0.772 | S | S | * | * | | | trans | -161.9 | 81.8 | 148.8 | -107 | -175.4 | 0 | 0 | 0 | 110.1 | N1513 | L1511-N1513 PolarHBondContact O-N 3.21Å; L1511-N1513 VanDerWaalsContact O-N 3.15Å |
| 1512 | T | 26.8 | Very low | 29.1 | Very low | 139 Ų | 139 | 145.9 Ų | 145.9 | 85% | 0.853 | 78% | 0.782 | S | S | * | * | | | trans | -72.7 | 102.7 | 170 | -56.8 | 0 | 0 | 0 | 0 | 109.1 | | |
| 1513 | N | 30.4 | Very low | 29.4 | Very low | 130 Ų | 130 | 150.1 Ų | 150.1 | 70% | 0.695 | 80% | 0.798 | S | S | * | * | | | trans | -124.4 | 90 | 177.7 | -129.9 | -22 | 0 | 0 | 0 | 110.9 | L1511 | L1511-N1513 PolarHBondContact O-N 3.21Å; L1511-N1513 VanDerWaalsContact O-N 3.15Å |
| 1514 | R | 29 | Very low | 29.5 | Very low | 220 Ų | 220 | 149.8 Ų | 149.8 | 83% | 0.83 | 80% | 0.798 | S | S | * | * | | | trans | -112.9 | 86.2 | -179.2 | -172.8 | -172.4 | -170.9 | -169.6 | 4.5 | 109.7 | | |
| 1515 | I | 33.3 | Very low | 29.9 | Very low | 139 Ų | 139 | 153.1 Ų | 153.1 | 71% | 0.713 | 81% | 0.809 | S | S | * | * | | | trans | -119.3 | 129.7 | 173.7 | -61.7 | -178.3 | 0 | 0 | 0 | 109.7 | | |
| 1516 | I | 31 | Very low | 29.9 | Very low | 146 Ų | 146 | 155.4 Ų | 155.4 | 75% | 0.749 | 81% | 0.806 | S | S | * | * | | | trans | -106.8 | 120.3 | 179.3 | -62 | 167.3 | 0 | 0 | 0 | 107.6 | | |
| 1517 | C | 28.9 | Very low | 29.9 | Very low | 112 Ų | 112 | 156.5 Ų | 156.5 | 76% | 0.757 | 80% | 0.797 | S | S | * | * | | | trans | -140.3 | 89.8 | 178.7 | -91.4 | 0 | 0 | 0 | 0 | 113.6 | | |
| 1518 | K | 29 | Very low | 30 | Very low | 197 Ų | 197 | 156.9 Ų | 156.9 | 86% | 0.857 | 79% | 0.794 | S | S | * | * | | | trans | 30.3 | 131.9 | 141 | -62.2 | -178.1 | 179.2 | 178.9 | 0 | 119.9 | | |
| 1519 | S | 27.6 | Very low | 30 | Very low | 127 Ų | 127 | 153.7 Ų | 153.7 | 89% | 0.888 | 79% | 0.79 | S | S | * | * | | | trans | -49.3 | 134.2 | 160.4 | 41.6 | 0 | 0 | 0 | 0 | 113.5 | | |
| 1520 | R | 29 | Very low | 29.9 | Very low | 235 Ų | 235 | 148 Ų | 148 | 89% | 0.887 | 78% | 0.784 | S | S | * | * | | | trans | -134.2 | 117.2 | 164 | 176.9 | 174.9 | -91 | -150.6 | -3 | 110.2 | | |
| 1521 | K | 31.4 | Very low | 29.9 | Very low | 194 Ų | 194 | 151.7 Ų | 151.7 | 84% | 0.843 | 79% | 0.787 | S | S | * | * | | | trans | 16.6 | 141.4 | 155.1 | -61 | -172.5 | 175.4 | -172.6 | 0 | 120.6 | | |
| 1522 | Q | 29.9 | Very low | 30 | Very low | 169 Ų | 169 | 152 Ų | 152 | 79% | 0.79 | 79% | 0.788 | S | S | * | * | | | trans | -26 | 132 | 156.1 | -64.8 | 158.9 | -35.2 | 0 | 0 | 114.5 | | |
| 1523 | L | 30.5 | Very low | 30.2 | Very low | 163 Ų | 163 | 152.8 Ų | 152.8 | 85% | 0.853 | 78% | 0.781 | S | S | * | * | | | trans | -103.4 | 106.1 | 139 | -84 | 167.5 | 0 | 0 | 0 | 107 | | |
| 1524 | N | 29.2 | Very low | 30.1 | Very low | 124 Ų | 124 | 151.3 Ų | 151.3 | 66% | 0.663 | 78% | 0.777 | S | S | * | * | | | trans | -83.1 | 128.3 | 149.2 | -79.8 | 2.1 | 0 | 0 | 0 | 106 | | |
| 1525 | D | 34 | Very low | 30.1 | Very low | 159 Ų | 159 | 152.4 Ų | 152.4 | 85% | 0.85 | 78% | 0.781 | S | S | * | * | | | trans | -120.3 | 155.5 | 143.2 | -92 | -52 | 0 | 0 | 0 | 107.3 | | |
| 1526 | Q | 27.1 | Very low | 29.7 | Very low | 167 Ų | 167 | 154.8 Ų | 154.8 | 78% | 0.78 | 78% | 0.783 | S | S | * | * | | | trans | -130.9 | 156 | -149.5 | -143.1 | -175.1 | 19.4 | 0 | 0 | 112.9 | | |
| 1527 | T | 30.9 | Very low | 29.6 | Very low | 102 Ų | 102 | 154.4 Ų | 154.4 | 63% | 0.626 | 78% | 0.781 | S | S | * | * | | | trans | 70.4 | 93.6 | 152.2 | -47.8 | 0 | 0 | 0 | 0 | 118.1 | | |
| 1528 | D | 32.5 | Very low | 29.7 | Very low | 142 Ų | 142 | 157 Ų | 157 | 76% | 0.759 | 78% | 0.784 | S | S | * | * | | | | -164.5 | 145.5 | 104.1 | -99.7 | -25 | 0 | 0 | 0 | 110 | | |
| 1529 | S | 28.6 | Very low | 29.7 | Very low | 101 Ų | 101 | 156.5 Ų | 156.5 | 71% | 0.706 | 78% | 0.782 | S | S | * | * | | | cis | 88.4 | 127 | 38.3 | -48.3 | 0 | 0 | 0 | 0 | 114 | | |
| 1530 | G | 31.4 | Very low | 30 | Very low | 76 Ų | 76 | 157 Ų | 157 | 78% | 0.784 | 78% | 0.78 | S | S | * | * | | | trans | 92.6 | 92.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 1531 | F | 26.3 | Very low | 30 | Very low | 192 Ų | 192 | 153.3 Ų | 153.3 | 84% | 0.842 | 78% | 0.777 | S | S | * | * | | | cis | 85.6 | 153.4 | 31.5 | -118 | -83.4 | 0 | 0 | 0 | 115.7 | | |
| 1532 | I | 32.9 | Very low | 30 | Very low | 159 Ų | 159 | 150.7 Ų | 150.7 | 82% | 0.815 | 77% | 0.772 | S | S | * | * | | | trans | 76.6 | 107.1 | -163.5 | -50.5 | 172.4 | 0 | 0 | 0 | 111.9 | | |
| 1533 | E | 31.1 | Very low | 29.9 | Very low | 154 Ų | 154 | 148 Ų | 148 | 72% | 0.72 | 77% | 0.767 | S | S | * | * | | | cis | 98.3 | 97.5 | 26.2 | -161.4 | 174.8 | -158.8 | 0 | 0 | 115.9 | | |
| 1534 | T | 27.8 | Very low | 30.1 | Very low | 99 Ų | 99 | 147.8 Ų | 147.8 | 61% | 0.607 | 77% | 0.767 | S | S | * | * | | | trans | 32.7 | 108.9 | 131.7 | -35.4 | 0 | 0 | 0 | 0 | 120.8 | Y1536 | T1534-Y1536 HydrophobicContact CG2-CD2 3.73Å; T1534-Y1536 HydrophobicContact CG2-CE2 3.79Å |
| 1535 | R | 30.5 | Very low | 30.1 | Very low | 243 Ų | 243 | 151.1 Ų | 151.1 | 92% | 0.917 | 78% | 0.776 | S | S | * | * | | | trans | -144.8 | 142.9 | 134.6 | -76.7 | -160.7 | -94.2 | -173 | -5.9 | 110.1 | | |
| 1536 | Y | 24.1 | Very low | 30.2 | Very low | 190 Ų | 190 | 149.3 Ų | 149.3 | 75% | 0.745 | 77% | 0.773 | S | S | * | * | | | cis | 113.7 | 130.1 | 15.4 | -99.2 | -67.1 | 0 | 0 | 0 | 113.9 | T1534 | T1534-Y1536 HydrophobicContact CG2-CD2 3.73Å; T1534-Y1536 HydrophobicContact CG2-CE2 3.79Å |
| 1537 | L | 28.7 | Very low | 30.2 | Very low | 137 Ų | 137 | 149 Ų | 149 | 72% | 0.717 | 78% | 0.775 | S | S | * | * | | | trans | 74.2 | 110.7 | 156.1 | -60.4 | 172 | 0 | 0 | 0 | 121.8 | | |
| 1538 | M | 31.2 | Very low | 30.3 | Very low | 167 Ų | 167 | 148.7 Ų | 148.7 | 82% | 0.823 | 78% | 0.776 | S | S | * | * | | | | 163.9 | 117.7 | 118.6 | -115.2 | 63.7 | 166.5 | 0 | 0 | 106.6 | | |
| 1539 | K | 28.3 | Very low | 30.2 | Very low | 187 Ų | 187 | 151 Ų | 151 | 81% | 0.813 | 78% | 0.782 | S | S | * | * | | | cis | 71.3 | 85.9 | 24.3 | -130.5 | -172.2 | -169.3 | -174.4 | 0 | 115.2 | | |
| 1540 | T | 35 | Very low | 30.1 | Very low | 137 Ų | 137 | 149.6 Ų | 149.6 | 84% | 0.84 | 78% | 0.783 | S | S | * | * | | | trans | -139.4 | 134.4 | 155.8 | -36.4 | 0 | 0 | 0 | 0 | 109.7 | | |
| 1541 | L | 27.8 | Very low | 30.1 | Very low | 158 Ų | 158 | 151.3 Ų | 151.3 | 83% | 0.827 | 78% | 0.783 | S | S | * | * | | | trans | -119.1 | 143.6 | 173.1 | -84.6 | 162.5 | 0 | 0 | 0 | 108.6 | | |
| 1542 | N | 31.4 | Very low | 30.1 | Very low | 139 Ų | 139 | 147.4 Ų | 147.4 | 74% | 0.743 | 78% | 0.779 | S | S | * | * | | | trans | -159.2 | 89 | 163 | -148.2 | -9 | 0 | 0 | 0 | 109.6 | | |
| 1543 | T | 29.3 | Very low | 29.8 | Very low | 111 Ų | 111 | 144.6 Ų | 144.6 | 68% | 0.681 | 77% | 0.774 | S | S | * | * | | | | 42.2 | 111.6 | 90 | 50.2 | 0 | 0 | 0 | 0 | 116.9 | | |
| 1544 | N | 34.4 | Very low | 29.8 | Very low | 159 Ų | 159 | 142.4 Ų | 142.4 | 85% | 0.85 | 77% | 0.771 | S | S | * | * | | | | -166.7 | 168.9 | 124.9 | -99.7 | -48.4 | 0 | 0 | 0 | 112.7 | | |
| 1545 | K | 28.9 | Very low | 29.7 | Very low | 194 Ų | 194 | 146.4 Ų | 146.4 | 84% | 0.843 | 78% | 0.777 | S | S | * | * | | | trans | -100.4 | -175.2 | -165.4 | -61.8 | -179.9 | -178.5 | 175.6 | 0 | 111.6 | | |
| 1546 | P | 36.1 | Very low | 29.7 | Very low | 122 Ų | 122 | 139.2 Ų | 139.2 | 79% | 0.792 | 76% | 0.756 | S | S | * | * | | | cis | -144.8 | -175 | 11.3 | 44.2 | -22.8 | 0 | 0 | 0 | 119.5 | | |
| 1547 | L | 27.3 | Very low | 29.9 | Very low | 159 Ų | 159 | 134.4 Ų | 134.4 | 83% | 0.832 | 74% | 0.74 | S | S | * | * | | | trans | -72.5 | 173.3 | 165.2 | -124.5 | 71.7 | 0 | 0 | 0 | 111.9 | | |
| 1548 | P | 33.3 | Very low | 30 | Very low | 97 Ų | 97 | 132.9 Ų | 132.9 | 63% | 0.63 | 73% | 0.733 | S | S | * | * | | | | -154.6 | -179.3 | 54.6 | 44.5 | -23.5 | 0 | 0 | 0 | 119.2 | | |
| 1549 | Q | 29.5 | Very low | 30 | Very low | 191 Ų | 191 | 133 Ų | 133 | 89% | 0.893 | 73% | 0.729 | S | S | * | * | | | trans | 61.2 | 145.1 | 159.5 | -68 | 154.2 | -11.2 | 0 | 0 | 118.2 | | |
| 1550 | G | 27.5 | Very low | 29.8 | Very low | 70 Ų | 70 | 128.9 Ų | 128.9 | 72% | 0.722 | 72% | 0.723 | S | S | * | * | | | cis | -176.5 | 162.4 | -6.8 | 0 | 0 | 0 | 0 | 0 | 106.9 | | |
| 1551 | S | 30.4 | Very low | 29.6 | Very low | 112 Ų | 112 | 128.6 Ų | 128.6 | 78% | 0.783 | 72% | 0.716 | S | S | * | * | | | cis | -161.8 | 168.3 | 16.6 | -63 | 0 | 0 | 0 | 0 | 110.5 | | |
| 1552 | S | 27.6 | Very low | 29.5 | Very low | 110 Ų | 110 | 129 Ų | 129 | 77% | 0.769 | 71% | 0.714 | S | S | * | * | | | trans | 51.6 | 114.4 | 162.6 | 48.4 | 0 | 0 | 0 | 0 | 119.2 | | |
| 1553 | S | 25.4 | Very low | 29.5 | Very low | 101 Ų | 101 | 132.6 Ų | 132.6 | 71% | 0.706 | 72% | 0.723 | S | S | * | * | | | | 64.8 | 122.4 | 82.5 | -160.8 | 0 | 0 | 0 | 0 | 113 | | |
| 1554 | T | 30.7 | Very low | 29.3 | Very low | 108 Ų | 108 | 134.1 Ų | 134.1 | 66% | 0.663 | 73% | 0.726 | S | S | * | * | | | | -138.5 | 178.8 | 50.9 | 45.1 | 0 | 0 | 0 | 0 | 115.9 | R527 | R527-T1554 VanDerWaalsContact CD-O 3.27Å; R527-T1554 WeakPolarHBondContact CD-O 3.32Å; R527-T1554 VanDerWaalsContact NH1-C 3.26Å; R527-T1554 PolarHBondContact NH1-O 2.88Å |
| 1555 | Y | 26 | Very low | 28.9 | Very low | 183 Ų | 183 | 133.6 Ų | 133.6 | 72% | 0.718 | 72% | 0.724 | S | S | * | * | | | trans | -32 | 158.6 | 176.7 | -86.2 | -138.8 | 0 | 0 | 0 | 118.5 | R527 | R527-Y1555 WeakPolarHBondContact CD-O 3.24Å; R527-Y1555 VanDerWaalsContact NE-C 3.35Å |
| 1556 | L | 31.6 | Very low | 28.7 | Very low | 92 Ų | 92 | 129.3 Ų | 129.3 | 48% | 0.482 | 72% | 0.718 | S | S | . | * | | | cis | -138.5 | 163.3 | 5.3 | -102.1 | 161 | 0 | 0 | 0 | 108.5 | R527 | R527-L1556 WeakPolarHBondContact CA-O 3.5Å; R527-L1556 VanDerWaalsContact CB-O 3.23Å; R527-L1556 WeakPolarHBondContact CB-O 2.73Å; R527-L1556 WeakPolarHBondContact CG-O 3.46Å; R527-L1556 VanDerWaalsContact NE-N 3.15Å; R527-L1556 PolarHBondContact NE-O 3.29Å |
| 1557 | E | 28.1 | Very low | 28.1 | Very low | 88 Ų | 88 | 133.8 Ų | 133.8 | 41% | 0.411 | 72% | 0.721 | S | S | . | * | | | cis | 77.4 | 130.7 | 14.8 | -96.7 | 31.2 | -123.7 | 0 | 0 | 117.6 | L526 R527 | L526-E1557 VanDerWaalsContact CD2-OE2 3.23Å; L526-E1557 WeakPolarHBondContact CD2-OE2 3.25Å; R527-E1557 IonicContact CZ-OE2 3.67Å; R527-E1557 IonicContact NE-OE2 3.97Å; R527-E1557 IonicContact NH2-OE2 2.65Å; R527-E1557 PolarHBondContact NH2-OE2 2.73Å |
| 1558 | N | 29.5 | Very low | 28.3 | Very low | 105 Ų | 105 | 133.8 Ų | 133.8 | 56% | 0.561 | 72% | 0.722 | S | S | * | * | | | cis | -163.1 | 161.9 | -24.8 | -156.3 | -23.5 | 0 | 0 | 0 | 108.8 | | |
| 1559 | K | 31.4 | Very low | 28 | Very low | 171 Ų | 171 | 138.7 Ų | 138.7 | 74% | 0.743 | 73% | 0.729 | S | S | * | * | | | trans | 65.9 | 144.9 | 174.5 | -56.8 | 171 | -178.9 | 178.4 | 0 | 115.8 | | |
| 1560 | S | 25.4 | Very low | 27.8 | Very low | 100 Ų | 100 | 136 Ų | 136 | 70% | 0.699 | 72% | 0.721 | S | S | * | * | | | cis | 92.7 | 145.8 | 18.9 | -54.1 | 0 | 0 | 0 | 0 | 116.5 | | |
| 1561 | D | 30.8 | Very low | 27.6 | Very low | 130 Ų | 130 | 143.6 Ų | 143.6 | 70% | 0.695 | 73% | 0.728 | S | S | * | * | | | trans | 82.4 | 108.8 | 157.9 | -49.4 | -43.6 | 0 | 0 | 0 | 119.4 | | |
| 1562 | H | 25 | Very low | 27.3 | Very low | 168 Ų | 168 | 143.8 Ų | 143.8 | 78% | 0.778 | 72% | 0.724 | S | S | * | * | | | trans | 26.1 | 129.1 | 140.3 | -63.1 | -87.5 | 0 | 0 | 0 | 120.2 | | |
| 1563 | F | 30.8 | Very low | 27.2 | Very low | 213 Ų | 213 | 144.4 Ų | 144.4 | 93% | 0.934 | 72% | 0.724 | S | S | * | * | | | | -149.9 | 167.6 | 108.7 | -106.9 | -70.5 | 0 | 0 | 0 | 111.8 | | |
| 1564 | L | 25.4 | Very low | 27.2 | Very low | 143 Ų | 143 | 147.5 Ų | 147.5 | 75% | 0.749 | 73% | 0.732 | S | S | * | * | | | trans | -110.6 | 168.6 | -179.4 | -162.1 | 72.7 | 0 | 0 | 0 | 109.2 | | |
| 1565 | N | 25.4 | Very low | 26.8 | Very low | 149 Ų | 149 | 150.2 Ų | 150.2 | 80% | 0.797 | 74% | 0.742 | S | S | * | * | | | trans | 74.5 | 156.8 | 177.1 | -44.2 | -21.8 | 0 | 0 | 0 | 113.7 | | |
| 1566 | S | 25.4 | Very low | 26.9 | Very low | 104 Ų | 104 | 146.6 Ų | 146.6 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | | | cis | -128.2 | 159.3 | -3.6 | -163.7 | 0 | 0 | 0 | 0 | 110.9 | | |
| 1567 | Y | 23.3 | Very low | 26.5 | Very low | 216 Ų | 216 | 148.1 Ų | 148.1 | 85% | 0.847 | 75% | 0.748 | S | S | * | * | | | trans | -66.6 | 142.2 | 150 | -84.1 | -108.3 | 0 | 0 | 0 | 108 | | |
| 1568 | D | 32 | Very low | 26.2 | Very low | 159 Ų | 159 | 152.4 Ų | 152.4 | 85% | 0.85 | 76% | 0.761 | S | S | * | * | | | trans | -146.3 | 156.8 | 148 | -128.4 | -40.1 | 0 | 0 | 0 | 111.1 | | |
| 1569 | Y | 26.5 | Very low | 26.1 | Very low | 199 Ų | 199 | 152.4 Ų | 152.4 | 78% | 0.78 | 76% | 0.761 | S | S | * | * | | | trans | -97.5 | 157.6 | -157.8 | -131.9 | -121.4 | 0 | 0 | 0 | 112.9 | | |
| 1570 | N | 26.3 | Very low | 26.1 | Very low | 134 Ų | 134 | 148.4 Ų | 148.4 | 72% | 0.717 | 75% | 0.745 | S | S | * | * | | | trans | 112.4 | 143.4 | 146.8 | -69.5 | -56.1 | 0 | 0 | 0 | 121.9 | | |
| 1571 | R | 22.9 | Very low | 26.3 | Very low | 231 Ų | 231 | 149.5 Ų | 149.5 | 87% | 0.872 | 74% | 0.744 | S | S | * | * | | | trans | 64.2 | 143 | 155.4 | -77.6 | -174.4 | 161.8 | -166.8 | -6 | 119.2 | | |
| 1572 | T | 24.7 | Very low | 26.4 | Very low | 115 Ų | 115 | 151.6 Ų | 151.6 | 71% | 0.706 | 75% | 0.753 | S | S | * | * | | | cis | -167.7 | 155.8 | -27.6 | -102.8 | 0 | 0 | 0 | 0 | 105.6 | | |
| 1573 | T | 25.1 | Very low | 26.8 | Very low | 124 Ų | 124 | 152 Ų | 152 | 76% | 0.761 | 75% | 0.752 | S | S | * | * | | | trans | -34.3 | 139.3 | 175.9 | 46.2 | 0 | 0 | 0 | 0 | 116.3 | | |
| 1574 | N | 24.7 | Very low | 26.6 | Very low | 166 Ų | 166 | 150.8 Ų | 150.8 | 89% | 0.888 | 75% | 0.747 | S | S | * | * | | | trans | -147 | 152.9 | 134 | -127.8 | -66 | 0 | 0 | 0 | 111.2 | | |
| 1575 | L | 23.1 | Very low | 27 | Very low | 165 Ų | 165 | 154 Ų | 154 | 86% | 0.864 | 76% | 0.755 | S | S | * | * | | | trans | -123.6 | 110.4 | -165.8 | 178.2 | 67.2 | 0 | 0 | 0 | 110.7 | | |
| 1576 | S | 26.4 | Very low | 27.1 | Very low | 106 Ų | 106 | 156.1 Ų | 156.1 | 74% | 0.741 | 76% | 0.757 | S | S | * | * | | | trans | -151.3 | 106.8 | 168 | 58.5 | 0 | 0 | 0 | 0 | 107.4 | | |
| 1577 | Q | 25 | Very low | 27.2 | Very low | 125 Ų | 125 | 155.7 Ų | 155.7 | 58% | 0.584 | 75% | 0.754 | S | S | * | * | | | | 108.3 | 111.2 | 65.4 | 177.7 | 172.8 | -2.9 | 0 | 0 | 107.8 | T197 | T197-Q1577 PolarHBondContact O-NE2 3.1Š|
| 1578 | Y | 21.8 | Very low | 27.6 | Very low | 177 Ų | 177 | 153.1 Ų | 153.1 | 69% | 0.694 | 76% | 0.755 | S | S | * | * | | | trans | 18 | 134.9 | 158.6 | -83 | -102.4 | 0 | 0 | 0 | 121 | L199 | L199-Y1578 HydrophobicContact CD1-CD1 3.72Å; L199-Y1578 HydrophobicContact CD1-CE1 4.4Å; L199-Y1578 HydrophobicContact CD1-CG 3.85Å; L199-Y1578 HydrophobicContact CD2-CD1 4.22Å |
| 1579 | N | 26.1 | Very low | 27.5 | Very low | 105 Ų | 105 | 154.2 Ų | 154.2 | 56% | 0.561 | 76% | 0.755 | S | S | * | * | | | | -170 | 162.9 | 108.7 | -102.4 | 28.2 | 0 | 0 | 0 | 113.1 | L199 | L199-N1579 VanDerWaalsContact CD2-OD1 3.24Å; L199-N1579 WeakPolarHBondContact CD2-OD1 3.48Å |
| 1580 | E | 31.6 | Very low | 27.6 | Very low | 88 Ų | 88 | 152 Ų | 152 | 41% | 0.411 | 76% | 0.755 | S | S | . | * | | | trans | 72.5 | 126.1 | 165 | -48.6 | -37.4 | 129.2 | 0 | 0 | 124.3 | L201 | L201-E1580 WeakPolarHBondContact CB-OE2 3.36Å; L201-E1580 WeakPolarHBondContact CD1-OE2 3.47Å |
| 1581 | D | 30.7 | Very low | 27.8 | Very low | 123 Ų | 123 | 151.4 Ų | 151.4 | 66% | 0.658 | 75% | 0.752 | S | S | * | * | | | trans | 55.4 | 84.7 | 139.9 | -83.8 | -15.4 | 0 | 0 | 0 | 122 | | |
| 1582 | I | 32.9 | Very low | 28.2 | Very low | 174 Ų | 174 | 145.3 Ų | 145.3 | 89% | 0.892 | 75% | 0.745 | S | S | * | * | | | trans | -103.4 | 115.5 | 149.9 | -63.9 | -177.6 | 0 | 0 | 0 | 110.4 | | |
| 1583 | K | 33 | Very low | 28.3 | Very low | 175 Ų | 175 | 150.2 Ų | 150.2 | 76% | 0.761 | 75% | 0.75 | S | S | * | * | | | trans | -72.6 | 135.3 | -177.3 | -66.4 | 174.4 | -179.5 | 173.5 | 0 | 113 | K1585 | K1583-K1585 PolarHBondContact O-N 2.82Š|
| 1584 | F | 25.3 | Very low | 28.4 | Very low | 188 Ų | 188 | 150 Ų | 150 | 83% | 0.825 | 75% | 0.749 | S | S | * | * | | | trans | 18.2 | 96.7 | 150.5 | -83.9 | -96.5 | 0 | 0 | 0 | 117.2 | | |
| 1585 | K | 33.8 | Very low | 28.5 | Very low | 210 Ų | 210 | 152.5 Ų | 152.5 | 91% | 0.913 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -98.9 | 121.5 | 145.4 | -93.4 | -174.9 | 174.2 | 178.9 | 0 | 108.7 | K1583 | K1583-K1585 PolarHBondContact O-N 2.82Š|
| 1586 | K | 27.5 | Very low | 28.8 | Very low | 195 Ų | 195 | 149.7 Ų | 149.7 | 85% | 0.848 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 136.5 | 172.5 | -171.5 | 174.8 | -180 | 179 | 0 | 109.1 | | |
| 1587 | S | 29.4 | Very low | 28.8 | Very low | 94 Ų | 94 | 155 Ų | 155 | 66% | 0.657 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 135.6 | 172.7 | 38.7 | 0 | 0 | 0 | 0 | 111 | | |
| 1588 | N | 30.9 | Very low | 29.1 | Very low | 163 Ų | 163 | 158.9 Ų | 158.9 | 87% | 0.872 | 75% | 0.75 | S | S | * | * | | | trans | -97.8 | 113.7 | 148.7 | -83.8 | -5.4 | 0 | 0 | 0 | 105.9 | | |
| 1589 | E | 29.3 | Very low | 29.5 | Very low | 182 Ų | 182 | 160.1 Ų | 160.1 | 85% | 0.85 | 76% | 0.759 | S | S | * | * | | | trans | -77.5 | 136.4 | -173.8 | -165.6 | 166.7 | -179 | 0 | 0 | 110.4 | | |
| 1590 | I | 29.3 | Very low | 29.8 | Very low | 152 Ų | 152 | 162.3 Ų | 162.3 | 78% | 0.779 | 77% | 0.766 | S | S | * | * | | | trans | -98.8 | 114.1 | 179 | -63.2 | 173.2 | 0 | 0 | 0 | 107 | S1592 | I1590-S1592 VanDerWaalsContact C-N 3.33Å; I1590-S1592 PolarHBondContact O-N 2.82Å |
| 1591 | D | 29.4 | Very low | 29.6 | Very low | 122 Ų | 122 | 163.7 Ų | 163.7 | 65% | 0.652 | 79% | 0.785 | S | S | * | * | | | trans | -70.7 | 84.9 | -179.9 | -174.5 | 3.6 | 0 | 0 | 0 | 111 | R1593 | D1591-R1593 PolarHBondContact O-N 3.37Å; D1591-R1593 VanDerWaalsContact OD1-CG 3.25Å; D1591-R1593 WeakPolarHBondContact OD1-CG 3.34Å; D1591-R1593 IonicContact OD1-NE 3.89Å; D1591-R1593 WeakPolarHBondContact OD2-CD 3.49Å; D1591-R1593 IonicContact OD2-NE 3.63Å |
| 1592 | S | 31.4 | Very low | 29.3 | Very low | 103 Ų | 103 | 169.1 Ų | 169.1 | 72% | 0.72 | 80% | 0.797 | S | S | * | * | | | trans | -77.6 | 60.6 | 174.8 | 54 | 0 | 0 | 0 | 0 | 111.5 | I1590 T1594 | I1590-S1592 VanDerWaalsContact C-N 3.33Å; I1590-S1592 PolarHBondContact O-N 2.82Å; S1592-T1594 PolarHBondContact O-N 3.38Å |
| 1593 | R | 27.4 | Very low | 29 | Very low | 217 Ų | 217 | 164.7 Ų | 164.7 | 82% | 0.819 | 78% | 0.781 | S | S | * | * | | | trans | -66.9 | 77.4 | 176.7 | -108.9 | 170.5 | -171 | -101.1 | -3.2 | 112.7 | D1591 | D1591-R1593 PolarHBondContact O-N 3.37Å; D1591-R1593 VanDerWaalsContact OD1-CG 3.25Å; D1591-R1593 WeakPolarHBondContact OD1-CG 3.34Å; D1591-R1593 IonicContact OD1-NE 3.89Å; D1591-R1593 WeakPolarHBondContact OD2-CD 3.49Å; D1591-R1593 IonicContact OD2-NE 3.63Å |
| 1594 | T | 27.1 | Very low | 28.7 | Very low | 121 Ų | 121 | 163.9 Ų | 163.9 | 74% | 0.742 | 79% | 0.785 | S | S | * | * | | | trans | -140.4 | 84.3 | 164.8 | -65 | 0 | 0 | 0 | 0 | 108.8 | S1592 | S1592-T1594 PolarHBondContact O-N 3.38Š|
| 1595 | Y | 26.5 | Very low | 29.2 | Very low | 217 Ų | 217 | 161.5 Ų | 161.5 | 85% | 0.851 | 78% | 0.781 | S | S | * | * | | | trans | -130.4 | 105.3 | 164 | -106.4 | -104.5 | 0 | 0 | 0 | 107.7 | | |
| 1596 | T | 30.1 | Very low | 29.1 | Very low | 106 Ų | 106 | 160.4 Ų | 160.4 | 65% | 0.65 | 78% | 0.779 | S | S | * | * | | | | 87.4 | 108.8 | 77.6 | -68.7 | 0 | 0 | 0 | 0 | 111.2 | R1598 | T1596-R1598 PolarHBondContact O-N 2.82Š|
| 1597 | R | 26.8 | Very low | 29.4 | Very low | 218 Ų | 218 | 157.9 Ų | 157.9 | 82% | 0.823 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -65 | 128.6 | 169.9 | -91.7 | 166.2 | 53.2 | -114.9 | 2.9 | 109.2 | K1599 | R1597-K1599 PolarHBondContact O-N 2.86Š|
| 1598 | R | 31.2 | Very low | 29.7 | Very low | 206 Ų | 206 | 158.4 Ų | 158.4 | 78% | 0.777 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 121 | 178.2 | -71.6 | 169.1 | -86.3 | 155.4 | -3 | 110.9 | T1596 H1600 | T1596-R1598 PolarHBondContact O-N 2.82Å; R1598-H1600 VanDerWaalsContact CD-NE2 3.29Å; R1598-H1600 WeakPolarHBondContact CD-NE2 3.3Å |
| 1599 | K | 29.4 | Very low | 29.8 | Very low | 203 Ų | 203 | 156.1 Ų | 156.1 | 88% | 0.883 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -87.1 | 117.8 | 147.1 | -72 | -169.7 | 176.9 | -172.6 | 0 | 106.3 | R1597 | R1597-K1599 PolarHBondContact O-N 2.86Š|
| 1600 | H | 32.7 | Very low | 29.9 | Very low | 152 Ų | 152 | 156 Ų | 156 | 70% | 0.704 | 76% | 0.764 | S | S | * | * | | | trans | -105.4 | 118.3 | 164.3 | -79 | -65.9 | 0 | 0 | 0 | 108.1 | R1598 | R1598-H1600 VanDerWaalsContact CD-NE2 3.29Å; R1598-H1600 WeakPolarHBondContact CD-NE2 3.3Å |
| 1601 | S | 26.7 | Very low | 30.1 | Very low | 117 Ų | 117 | 156.8 Ų | 156.8 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 150.6 | 173.7 | -41.4 | 0 | 0 | 0 | 0 | 110.5 | | |
| 1602 | R | 25.1 | Very low | 30.1 | Very low | 236 Ų | 236 | 159.8 Ų | 159.8 | 89% | 0.891 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 149.6 | 147.1 | -166.8 | 168.8 | -176.4 | 167.5 | -0.3 | 107.5 | | |
| 1603 | S | 27.1 | Very low | 30.1 | Very low | 82 Ų | 82 | 163 Ų | 163 | 57% | 0.573 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 144 | 176.2 | 48.4 | 0 | 0 | 0 | 0 | 110.9 | D1605 | S1603-D1605 WeakPolarHBondContact CB-OD2 3.4Å; S1603-D1605 PolarHBondContact OG-OD2 3.05Å |
| 1604 | N | 27.4 | Very low | 30.7 | Very low | 157 Ų | 157 | 158.1 Ų | 158.1 | 84% | 0.84 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -90 | 119.1 | 148.1 | -68.7 | -5.2 | 0 | 0 | 0 | 105.4 | | |
| 1605 | D | 34.6 | Very low | 31.4 | Very low | 138 Ų | 138 | 158.2 Ų | 158.2 | 74% | 0.738 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -103 | 120.9 | 158.9 | -63.5 | -72.5 | 0 | 0 | 0 | 104.8 | S1603 | S1603-D1605 WeakPolarHBondContact CB-OD2 3.4Å; S1603-D1605 PolarHBondContact OG-OD2 3.05Å |
| 1606 | Q | 31.1 | Very low | 32.4 | Very low | 187 Ų | 187 | 156 Ų | 156 | 87% | 0.874 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 121.2 | -178.4 | -71.4 | 178.2 | -92 | 0 | 0 | 109.6 | | |
| 1607 | D | 34.7 | Very low | 33.6 | Very low | 143 Ų | 143 | 154.2 Ų | 154.2 | 77% | 0.765 | 76% | 0.757 | S | S | * | * | | | trans | -134 | 131.5 | 158.6 | -92.5 | -49.3 | 0 | 0 | 0 | 110 | | |
| 1608 | D | 34.8 | Very low | 35.5 | Very low | 105 Ų | 105 | 147.2 Ų | 147.2 | 56% | 0.561 | 75% | 0.745 | S | S | * | * | | | trans | 11.2 | 108 | 175.2 | -155.7 | -20 | 0 | 0 | 0 | 120.5 | Q1610 | D1608-Q1610 PolarHBondContact O-N 3.4Å; D1608-Q1610 VanDerWaalsContact O-N 3.16Å; D1608-Q1610 WeakPolarHBondContact OD1-CB 3.37Å; D1608-Q1610 PolarHBondContact OD1-N 3.14Å |
| 1609 | P | 33.9 | Very low | 37.6 | Very low | 114 Ų | 114 | 144.4 Ų | 144.4 | 74% | 0.74 | 74% | 0.741 | S | S | * | * | G | 310 helix | trans | -60.6 | -19.1 | 172.7 | -23.8 | 34.9 | 0 | 0 | 0 | 116 | K1611 Y1612 | P1609-K1611 VanDerWaalsContact C-N 3.32Å; P1609-K1611 PolarHBondContact O-N 2.98Å; P1609-Y1612 PolarHBondContact O-N 3.18Å |
| 1610 | Q | 32 | Very low | 39.7 | Very low | 181 Ų | 181 | 138.2 Ų | 138.2 | 85% | 0.846 | 72% | 0.724 | S | S | * | * | G | 310 helix | trans | -82.2 | -1.2 | -174.7 | -76.2 | -85.9 | -54 | 0 | 0 | 114.5 | D1608 | D1608-Q1610 PolarHBondContact O-N 3.4Å; D1608-Q1610 VanDerWaalsContact O-N 3.16Å; D1608-Q1610 WeakPolarHBondContact OD1-CB 3.37Å; D1608-Q1610 PolarHBondContact OD1-N 3.14Å |
| 1611 | K | 32.7 | Very low | 41.9 | Very low | 168 Ų | 168 | 136 Ų | 136 | 73% | 0.73 | 71% | 0.709 | S | S | * | * | G | 310 helix | trans | -97.4 | -10.3 | 168.9 | -113.1 | -177.8 | 179.3 | -177.4 | 0 | 115 | P1609 L1613 | P1609-K1611 VanDerWaalsContact C-N 3.32Å; P1609-K1611 PolarHBondContact O-N 2.98Å; K1611-L1613 PolarHBondContact O-N 2.96Å |
| 1612 | Y | 29.9 | Very low | 44.3 | Very low | 185 Ų | 185 | 136.2 Ų | 136.2 | 73% | 0.725 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | 52.1 | -178.2 | -71 | -78.5 | 0 | 0 | 0 | 113.7 | P1609 | P1609-Y1612 PolarHBondContact O-N 3.18Š|
| 1613 | L | 31.5 | Very low | 46.9 | Very low | 171 Ų | 171 | 128.3 Ų | 128.3 | 90% | 0.895 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.7 | 11.7 | 162.9 | -109.8 | 169 | 0 | 0 | 0 | 113.2 | K1611 T1615 | K1611-L1613 PolarHBondContact O-N 2.96Å; L1613-T1615 PolarHBondContact O-N 2.86Å |
| 1614 | T | 39.8 | Very low | 49.7 | Very low | 113 Ų | 113 | 131.6 Ų | 131.6 | 69% | 0.693 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -68.7 | 112.2 | 158.4 | 54.1 | 0 | 0 | 0 | 0 | 108.9 | | |
| 1615 | T | 42.4 | Very low | 52.6 | Low | 124 Ų | 124 | 126.3 Ų | 126.3 | 76% | 0.761 | 65% | 0.649 | S | S | * | * | | | trans | 9.4 | 122.4 | 157.1 | 44.2 | 0 | 0 | 0 | 0 | 117.2 | L1613 D1617 | L1613-T1615 PolarHBondContact O-N 2.86Å; T1615-D1617 PolarHBondContact O-N 2.81Å |
| 1616 | L | 46 | Very low | 55.1 | Low | 169 Ų | 169 | 122.1 Ų | 122.1 | 89% | 0.885 | 63% | 0.634 | S | S | * | * | | | trans | -46.9 | 112.4 | 157.5 | -92 | 165.6 | 0 | 0 | 0 | 108.7 | A1618 | L1616-A1618 PolarHBondContact O-N 3.32Š|
| 1617 | D | 55.1 | Low | 57.8 | Low | 70 Ų | 70 | 120.3 Ų | 120.3 | 37% | 0.374 | 62% | 0.619 | S | S | . | * | | | trans | -57.9 | 125.9 | -178.6 | 159 | 40.9 | 0 | 0 | 0 | 110.1 | T1615 E1619 S1620 Y1621 | T1615-D1617 PolarHBondContact O-N 2.81Å; D1617-E1619 VanDerWaalsContact C-N 3.27Å; D1617-E1619 PolarHBondContact O-N 2.54Å; D1617-E1619 WeakPolarHBondContact OD1-CB 3.43Å; D1617-E1619 PolarHBondContact OD1-N 3.01Å; D1617-S1620 PolarHBondContact O-N 3.12Å; D1617-S1620 WeakPolarHBondContact OD2-CB 3.33Å; D1617-S1620 PolarHBondContact OD2-N 2.94Å; D1617-S1620 PolarHBondContact OD2-OG 3.19Å; D1617-Y1621 PolarHBondContact O-N 3.49Å |
| 1618 | A | 68.2 | Low | 60.3 | Low | 70 Ų | 70 | 118 Ų | 118 | 58% | 0.579 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -65 | -32.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | L1616 Y1621 Q1622 | L1616-A1618 PolarHBondContact O-N 3.32Å; A1618-Y1621 PolarHBondContact O-N 2.9Å; A1618-Q1622 WeakPolarHBondContact O-CB 3.44Å; A1618-Q1622 VanDerWaalsContact O-CG 3.23Å; A1618-Q1622 WeakPolarHBondContact O-CG 3.41Å; A1618-Q1622 PolarHBondContact O-N 2.97Å |
| 1619 | E | 74.8 | Confident | 62.9 | Low | 148 Ų | 148 | 115.6 Ų | 115.6 | 69% | 0.692 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -67.1 | -43.8 | 174.5 | -62.4 | -170.7 | 159.1 | 0 | 0 | 110.9 | D1617 Y1621 Q1622 T1623 | D1617-E1619 VanDerWaalsContact C-N 3.27Å; D1617-E1619 PolarHBondContact O-N 2.54Å; D1617-E1619 WeakPolarHBondContact OD1-CB 3.43Å; D1617-E1619 PolarHBondContact OD1-N 3.01Å; E1619-Y1621 PolarHBondContact O-N 3.49Å; E1619-Q1622 PolarHBondContact O-N 3.35Å; E1619-T1623 WeakPolarHBondContact O-CB 3.21Å; E1619-T1623 PolarHBondContact O-N 3.25Å; E1619-T1623 PolarHBondContact O-OG1 3.21Å |
| 1620 | S | 74.1 | Confident | 65.2 | Low | 73 Ų | 73 | 115.3 Ų | 115.3 | 51% | 0.51 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -61.5 | -40.3 | 175.2 | -69.5 | 0 | 0 | 0 | 0 | 112.5 | D1617 W1624 | D1617-S1620 PolarHBondContact O-N 3.12Å; D1617-S1620 WeakPolarHBondContact OD2-CB 3.33Å; D1617-S1620 PolarHBondContact OD2-N 2.94Å; D1617-S1620 PolarHBondContact OD2-OG 3.19Å; S1620-W1624 PolarHBondContact O-N 3.03Å; S1620-W1624 VanDerWaalsContact O-N 3.1Å |
| 1621 | Y | 77.1 | Confident | 67.6 | Low | 104 Ų | 104 | 111.7 Ų | 111.7 | 41% | 0.408 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -68.3 | -47.2 | 174.3 | -177.3 | -102 | 0 | 0 | 0 | 111.8 | D1617 A1618 E1619 T1623 W1624 V1625 Q1810 | D1617-Y1621 PolarHBondContact O-N 3.49Å; A1618-Y1621 PolarHBondContact O-N 2.9Å; E1619-Y1621 PolarHBondContact O-N 3.49Å; Y1621-T1623 VanDerWaalsContact C-N 3.34Å; Y1621-T1623 PolarHBondContact O-N 3.13Å; Y1621-W1624 HydrophobicContact CE2-CE3 4.34Å; Y1621-W1624 HydrophobicContact CE2-CZ3 4.49Å; Y1621-W1624 WeakPolarHBondContact O-CB 3.16Å; Y1621-W1624 PolarHBondContact O-N 3.17Å; Y1621-W1624 VanDerWaalsContact O-N 3.15Å; Y1621-V1625 HydrophobicContact CD1-CG2 4.15Å; Y1621-V1625 HydrophobicContact CE1-CG2 3.71Å; Y1621-V1625 HydrophobicContact CE2-CG2 4.3Å; Y1621-V1625 WeakPolarHBondContact O-CG2 3.39Å; Y1621-V1625 PolarHBondContact O-N 2.89Å; Y1621-Q1810 PolarHBondContact OH-NE2 3.39Å |
| 1622 | Q | 77.7 | Confident | 70 | Confident | 123 Ų | 123 | 106 Ų | 106 | 58% | 0.575 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -62.6 | -39 | 176.9 | -72.3 | -68.8 | 7.4 | 0 | 0 | 112 | A1618 E1619 W1624 V1625 A1626 | A1618-Q1622 WeakPolarHBondContact O-CB 3.44Å; A1618-Q1622 VanDerWaalsContact O-CG 3.23Å; A1618-Q1622 WeakPolarHBondContact O-CG 3.41Å; A1618-Q1622 PolarHBondContact O-N 2.97Å; E1619-Q1622 PolarHBondContact O-N 3.35Å; Q1622-W1624 VanDerWaalsContact C-N 3.3Å; Q1622-W1624 PolarHBondContact O-N 3.37Å; Q1622-V1625 PolarHBondContact O-N 2.87Å; Q1622-A1626 VanDerWaalsContact O-CB 3.23Å; Q1622-A1626 WeakPolarHBondContact O-CB 3.18Å; Q1622-A1626 PolarHBondContact O-N 3Å |
| 1623 | T | 81 | Confident | 72 | Confident | 70 Ų | 70 | 103.3 Ų | 103.3 | 43% | 0.429 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -62.8 | -37.2 | 174.8 | -61 | 0 | 0 | 0 | 0 | 111.4 | E1619 Y1621 R1627 | E1619-T1623 WeakPolarHBondContact O-CB 3.21Å; E1619-T1623 PolarHBondContact O-N 3.25Å; E1619-T1623 PolarHBondContact O-OG1 3.21Å; Y1621-T1623 VanDerWaalsContact C-N 3.34Å; Y1621-T1623 PolarHBondContact O-N 3.13Å; T1623-R1627 WeakPolarHBondContact O-CG 3.25Å; T1623-R1627 PolarHBondContact O-N 3.36Å |
| 1624 | W | 84.5 | Confident | 74.2 | Confident | 151 Ų | 151 | 96.7 Ų | 96.7 | 57% | 0.572 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -68.8 | -46.3 | 173.8 | -178 | 77.9 | 0 | 0 | 0 | 111.7 | S1620 Y1621 Q1622 A1626 R1627 M1628 | S1620-W1624 PolarHBondContact O-N 3.03Å; S1620-W1624 VanDerWaalsContact O-N 3.1Å; Y1621-W1624 HydrophobicContact CE2-CE3 4.34Å; Y1621-W1624 HydrophobicContact CE2-CZ3 4.49Å; Y1621-W1624 WeakPolarHBondContact O-CB 3.16Å; Y1621-W1624 PolarHBondContact O-N 3.17Å; Y1621-W1624 VanDerWaalsContact O-N 3.15Å; Q1622-W1624 VanDerWaalsContact C-N 3.3Å; Q1622-W1624 PolarHBondContact O-N 3.37Å; W1624-A1626 VanDerWaalsContact C-N 3.33Å; W1624-A1626 PolarHBondContact O-N 2.85Å; W1624-R1627 PolarHBondContact O-N 2.85Å; W1624-M1628 HydrophobicContact CD2-CG 4.03Å; W1624-M1628 HydrophobicContact CE3-CG 4.48Å; W1624-M1628 HydrophobicContact CG-CG 4.49Å; W1624-M1628 HydrophobicContact CH2-CG 4.34Å; W1624-M1628 HydrophobicContact CZ2-CE 4.06Å; W1624-M1628 HydrophobicContact CZ2-CG 3.85Å; W1624-M1628 HydrophobicContact CZ2-SD 4.17Å; W1624-M1628 WeakPolarHBondContact O-CB 3.34Å; W1624-M1628 VanDerWaalsContact O-CG 3.24Å; W1624-M1628 WeakPolarHBondContact O-CG 3.46Å; W1624-M1628 PolarHBondContact O-N 3.46Å |
| 1625 | V | 88.4 | Confident | 75.9 | Confident | 45 Ų | 45 | 96.4 Ų | 96.4 | 27% | 0.273 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.4 | -41.6 | 175.6 | 172.9 | 0 | 0 | 0 | 0 | 111.5 | Y1621 Q1622 M1628 S1629 | Y1621-V1625 HydrophobicContact CD1-CG2 4.15Å; Y1621-V1625 HydrophobicContact CE1-CG2 3.71Å; Y1621-V1625 HydrophobicContact CE2-CG2 4.3Å; Y1621-V1625 WeakPolarHBondContact O-CG2 3.39Å; Y1621-V1625 PolarHBondContact O-N 2.89Å; Q1622-V1625 PolarHBondContact O-N 2.87Å; V1625-M1628 PolarHBondContact O-N 2.96Å; V1625-S1629 WeakPolarHBondContact O-CB 3.22Å; V1625-S1629 PolarHBondContact O-N 2.76Å; V1625-S1629 PolarHBondContact O-OG 2.81Å |
| 1626 | A | 87.9 | Confident | 77.5 | Confident | 51 Ų | 51 | 94.4 Ų | 94.4 | 42% | 0.421 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.5 | -51.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q1622 W1624 M1628 S1629 E1630 | Q1622-A1626 VanDerWaalsContact O-CB 3.23Å; Q1622-A1626 WeakPolarHBondContact O-CB 3.18Å; Q1622-A1626 PolarHBondContact O-N 3Å; W1624-A1626 VanDerWaalsContact C-N 3.33Å; W1624-A1626 PolarHBondContact O-N 2.85Å; A1626-M1628 VanDerWaalsContact C-N 3.35Å; A1626-M1628 PolarHBondContact O-N 2.63Å; A1626-S1629 CarbonylContact O-C 3.57Å; A1626-S1629 WeakPolarHBondContact O-CA 3.31Å; A1626-S1629 VanDerWaalsContact O-CB 3.32Å; A1626-S1629 WeakPolarHBondContact O-CB 3.34Å; A1626-S1629 PolarHBondContact O-N 2.92Å; A1626-E1630 WeakPolarHBondContact O-CG 3.29Å; A1626-E1630 PolarHBondContact O-N 3.46Å |
| 1627 | R | 86.4 | Confident | 78.4 | Confident | 149 Ų | 149 | 89.4 Ų | 89.4 | 56% | 0.562 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -63.2 | -36.8 | 176.9 | -73.4 | -172.6 | -168.5 | -145.6 | 6.3 | 113.7 | T1623 W1624 S1629 E1630 L1631 | T1623-R1627 WeakPolarHBondContact O-CG 3.25Å; T1623-R1627 PolarHBondContact O-N 3.36Å; W1624-R1627 PolarHBondContact O-N 2.85Å; R1627-S1629 PolarHBondContact O-N 3.17Å; R1627-E1630 PolarHBondContact O-N 3.44Å; R1627-L1631 VanDerWaalsContact O-CB 3.3Å; R1627-L1631 WeakPolarHBondContact O-CB 3.24Å; R1627-L1631 PolarHBondContact O-N 3.1Å |
| 1628 | M | 87.2 | Confident | 78.4 | Confident | 95 Ų | 95 | 92 Ų | 92 | 47% | 0.468 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.4 | -31.8 | 174.2 | -68 | -66.5 | -74.7 | 0 | 0 | 111.1 | W1624 V1625 A1626 A1632 | W1624-M1628 HydrophobicContact CD2-CG 4.03Å; W1624-M1628 HydrophobicContact CE3-CG 4.48Å; W1624-M1628 HydrophobicContact CG-CG 4.49Å; W1624-M1628 HydrophobicContact CH2-CG 4.34Å; W1624-M1628 HydrophobicContact CZ2-CE 4.06Å; W1624-M1628 HydrophobicContact CZ2-CG 3.85Å; W1624-M1628 HydrophobicContact CZ2-SD 4.17Å; W1624-M1628 WeakPolarHBondContact O-CB 3.34Å; W1624-M1628 VanDerWaalsContact O-CG 3.24Å; W1624-M1628 WeakPolarHBondContact O-CG 3.46Å; W1624-M1628 PolarHBondContact O-N 3.46Å; V1625-M1628 PolarHBondContact O-N 2.96Å; A1626-M1628 VanDerWaalsContact C-N 3.35Å; A1626-M1628 PolarHBondContact O-N 2.63Å; M1628-A1632 WeakPolarHBondContact O-CB 3.31Å; M1628-A1632 PolarHBondContact O-N 3.17Å |
| 1629 | S | 89.2 | Confident | 77.8 | Confident | 54 Ų | 54 | 92.5 Ų | 92.5 | 38% | 0.378 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -74 | -41.5 | 173.7 | -56.1 | 0 | 0 | 0 | 0 | 112.6 | V1625 A1626 R1627 L1631 A1632 Q1633 | V1625-S1629 WeakPolarHBondContact O-CB 3.22Å; V1625-S1629 PolarHBondContact O-N 2.76Å; V1625-S1629 PolarHBondContact O-OG 2.81Å; A1626-S1629 CarbonylContact O-C 3.57Å; A1626-S1629 WeakPolarHBondContact O-CA 3.31Å; A1626-S1629 VanDerWaalsContact O-CB 3.32Å; A1626-S1629 WeakPolarHBondContact O-CB 3.34Å; A1626-S1629 PolarHBondContact O-N 2.92Å; R1627-S1629 PolarHBondContact O-N 3.17Å; S1629-L1631 VanDerWaalsContact C-N 3.29Å; S1629-L1631 PolarHBondContact O-N 3.49Å; S1629-A1632 PolarHBondContact O-N 3.47Å; S1629-Q1633 WeakPolarHBondContact O-CB 3.32Å; S1629-Q1633 WeakPolarHBondContact O-CG 3.47Å; S1629-Q1633 PolarHBondContact O-N 3.23Å |
| 1630 | E | 82.7 | Confident | 76.7 | Confident | 107 Ų | 107 | 87.5 Ų | 87.5 | 50% | 0.5 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -57.7 | -42.5 | 170 | -70.9 | 177.8 | 149.1 | 0 | 0 | 111 | A1626 R1627 Q1633 G1634 | A1626-E1630 WeakPolarHBondContact O-CG 3.29Å; A1626-E1630 PolarHBondContact O-N 3.46Å; R1627-E1630 PolarHBondContact O-N 3.44Å; E1630-Q1633 PolarHBondContact O-N 2.87Å; E1630-G1634 PolarHBondContact O-N 2.89Å |
| 1631 | L | 82.9 | Confident | 75.5 | Confident | 106 Ų | 106 | 89.6 Ų | 89.6 | 56% | 0.555 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -68.8 | -40.2 | 179 | -158.1 | 160.7 | 0 | 0 | 0 | 111 | R1627 S1629 G1634 L1635 | R1627-L1631 VanDerWaalsContact O-CB 3.3Å; R1627-L1631 WeakPolarHBondContact O-CB 3.24Å; R1627-L1631 PolarHBondContact O-N 3.1Å; S1629-L1631 VanDerWaalsContact C-N 3.29Å; S1629-L1631 PolarHBondContact O-N 3.49Å; L1631-G1634 PolarHBondContact O-N 3.21Å; L1631-L1635 HydrophobicContact CD2-CD1 3.66Å; L1631-L1635 HydrophobicContact CD2-CG 4.11Å; L1631-L1635 WeakPolarHBondContact O-CB 3.28Å; L1631-L1635 WeakPolarHBondContact O-CG 3.46Å; L1631-L1635 PolarHBondContact O-N 3.31Å |
| 1632 | A | 83.4 | Confident | 74.1 | Confident | 47 Ų | 47 | 87.5 Ų | 87.5 | 39% | 0.388 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65.6 | -36.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | M1628 S1629 N1636 | M1628-A1632 WeakPolarHBondContact O-CB 3.31Å; M1628-A1632 PolarHBondContact O-N 3.17Å; S1629-A1632 PolarHBondContact O-N 3.47Å; A1632-N1636 PolarHBondContact O-N 3.35Å; A1632-N1636 VanDerWaalsContact O-N 3.14Å; A1632-N1636 PolarHBondContact O-ND2 2.94Å |
| 1633 | Q | 71.6 | Confident | 72.3 | Confident | 129 Ų | 129 | 88.5 Ų | 88.5 | 60% | 0.603 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -66 | -50 | 171.6 | -74.7 | 178.1 | 52.4 | 0 | 0 | 110.6 | S1629 E1630 L1635 N1636 S1637 | S1629-Q1633 WeakPolarHBondContact O-CB 3.32Å; S1629-Q1633 WeakPolarHBondContact O-CG 3.47Å; S1629-Q1633 PolarHBondContact O-N 3.23Å; E1630-Q1633 PolarHBondContact O-N 2.87Å; Q1633-L1635 VanDerWaalsContact C-N 3.26Å; Q1633-L1635 PolarHBondContact O-N 2.94Å; Q1633-N1636 CarbonylContact O-C 3.58Å; Q1633-N1636 WeakPolarHBondContact O-CA 3.41Å; Q1633-N1636 WeakPolarHBondContact O-CB 3.45Å; Q1633-N1636 PolarHBondContact O-N 2.79Å; Q1633-S1637 PolarHBondContact O-N 2.79Å; Q1633-S1637 PolarHBondContact O-OG 2.75Å |
| 1634 | G | 78.8 | Confident | 70.2 | Confident | 33 Ų | 33 | 93.6 Ų | 93.6 | 34% | 0.34 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -58.7 | -32.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114 | E1630 L1631 S1637 L1638 | E1630-G1634 PolarHBondContact O-N 2.89Å; L1631-G1634 PolarHBondContact O-N 3.21Å; G1634-S1637 CarbonylContact O-C 3.17Å; G1634-S1637 PolarHBondContact O-N 3.42Å; G1634-L1638 WeakPolarHBondContact O-CB 3.09Å; G1634-L1638 WeakPolarHBondContact O-CD1 3.39Å; G1634-L1638 WeakPolarHBondContact O-CG 3.49Å; G1634-L1638 PolarHBondContact O-N 2.97Å |
| 1635 | L | 74.7 | Confident | 67.8 | Low | 106 Ų | 106 | 90.9 Ų | 90.9 | 56% | 0.555 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -71.7 | -36 | 171.9 | -74.2 | 173.2 | 0 | 0 | 0 | 112.9 | L1631 Q1633 L1638 A1639 | L1631-L1635 HydrophobicContact CD2-CD1 3.66Å; L1631-L1635 HydrophobicContact CD2-CG 4.11Å; L1631-L1635 WeakPolarHBondContact O-CB 3.28Å; L1631-L1635 WeakPolarHBondContact O-CG 3.46Å; L1631-L1635 PolarHBondContact O-N 3.31Å; Q1633-L1635 VanDerWaalsContact C-N 3.26Å; Q1633-L1635 PolarHBondContact O-N 2.94Å; L1635-L1638 PolarHBondContact O-N 3.45Å; L1635-A1639 WeakPolarHBondContact O-CB 3.32Å; L1635-A1639 PolarHBondContact O-N 3.47Å |
| 1636 | N | 76.4 | Confident | 65.2 | Low | 82 Ų | 82 | 92.8 Ų | 92.8 | 44% | 0.439 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.5 | -47.1 | 168.9 | -83.6 | -88.2 | 0 | 0 | 0 | 110.4 | A1632 Q1633 L1638 A1639 K1640 | A1632-N1636 PolarHBondContact O-N 3.35Å; A1632-N1636 VanDerWaalsContact O-N 3.14Å; A1632-N1636 PolarHBondContact O-ND2 2.94Å; Q1633-N1636 CarbonylContact O-C 3.58Å; Q1633-N1636 WeakPolarHBondContact O-CA 3.41Å; Q1633-N1636 WeakPolarHBondContact O-CB 3.45Å; Q1633-N1636 PolarHBondContact O-N 2.79Å; N1636-L1638 PolarHBondContact O-N 3.45Å; N1636-A1639 PolarHBondContact O-N 3.4Å; N1636-K1640 WeakPolarHBondContact O-CB 3.32Å; N1636-K1640 PolarHBondContact O-N 3.39Å; N1636-K1640 VanDerWaalsContact O-N 3.12Å |
| 1637 | S | 64 | Low | 62.5 | Low | 65 Ų | 65 | 95 Ų | 95 | 46% | 0.455 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.5 | 0.7 | 176.9 | -57.7 | 0 | 0 | 0 | 0 | 115.6 | E1395 Q1633 G1634 | E1395-S1637 WeakPolarHBondContact OE1-CA 2.84Å; Q1633-S1637 PolarHBondContact O-N 2.79Å; Q1633-S1637 PolarHBondContact O-OG 2.75Å; G1634-S1637 CarbonylContact O-C 3.17Å; G1634-S1637 PolarHBondContact O-N 3.42Å |
| 1638 | L | 55.2 | Low | 59.9 | Low | 123 Ų | 123 | 91 Ų | 91 | 64% | 0.644 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -117 | -35.8 | 173.3 | -81.3 | 167.1 | 0 | 0 | 0 | 111.8 | G1634 L1635 N1636 K1640 E1641 | G1634-L1638 WeakPolarHBondContact O-CB 3.09Å; G1634-L1638 WeakPolarHBondContact O-CD1 3.39Å; G1634-L1638 WeakPolarHBondContact O-CG 3.49Å; G1634-L1638 PolarHBondContact O-N 2.97Å; L1635-L1638 PolarHBondContact O-N 3.45Å; N1636-L1638 PolarHBondContact O-N 3.45Å; L1638-K1640 PolarHBondContact O-N 2.91Å; L1638-E1641 PolarHBondContact O-N 3.03Å |
| 1639 | A | 56.1 | Low | 57 | Low | 82 Ų | 82 | 89.9 Ų | 89.9 | 68% | 0.678 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61.4 | -21.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L1635 N1636 | L1635-A1639 WeakPolarHBondContact O-CB 3.32Å; L1635-A1639 PolarHBondContact O-N 3.47Å; N1636-A1639 PolarHBondContact O-N 3.4Å |
| 1640 | K | 51 | Low | 54 | Low | 42 Ų | 42 | 93.5 Ų | 93.5 | 18% | 0.183 | 54% | 0.543 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -128.4 | 23.5 | -175.1 | -62.3 | 161.7 | 177.4 | -173.8 | 0 | 113.1 | V1393 S1394 E1395 T1396 N1636 L1638 | V1393-K1640 VanDerWaalsContact CG1-NZ 3.33Å; S1394-K1640 WeakPolarHBondContact OG-CE 3.48Å; S1394-K1640 PolarHBondContact OG-NZ 3.26Å; E1395-K1640 CarbonylContact C-O 3.15Å; E1395-K1640 HydrophobicContact CB-CB 3.82Å; E1395-K1640 HydrophobicContact CB-CD 4.24Å; E1395-K1640 HydrophobicContact CG-CB 3.85Å; E1395-K1640 VanDerWaalsContact CG-O 3.26Å; E1395-K1640 WeakPolarHBondContact CG-O 3.19Å; E1395-K1640 WeakPolarHBondContact OE1-CB 3.23Å; E1395-K1640 VanDerWaalsContact OE1-O 3.08Å; E1395-K1640 WeakPolarHBondContact OE2-CB 3.23Å; E1395-K1640 VanDerWaalsContact OE2-CD 3.32Å; E1395-K1640 WeakPolarHBondContact OE2-CD 3.38Å; T1396-K1640 VanDerWaalsContact CB-O 3.25Å; T1396-K1640 WeakPolarHBondContact CB-O 3.01Å; T1396-K1640 WeakPolarHBondContact CG2-O 3.45Å; T1396-K1640 WeakPolarHBondContact OG1-CA 3.49Å; T1396-K1640 PolarHBondContact OG1-O 2.9Å; N1636-K1640 WeakPolarHBondContact O-CB 3.32Å; N1636-K1640 PolarHBondContact O-N 3.39Å; N1636-K1640 VanDerWaalsContact O-N 3.12Å; L1638-K1640 PolarHBondContact O-N 2.91Å |
| 1641 | E | 48.5 | Very low | 51.3 | Low | 118 Ų | 118 | 93.6 Ų | 93.6 | 55% | 0.551 | 56% | 0.556 | S | S | * | * | | | trans | -133 | 71.5 | 151.5 | -109.9 | -168.1 | -160.1 | 0 | 0 | 112.7 | T1396 L1638 L1643 | T1396-E1641 HydrophobicContact CG2-CB 4.21Å; T1396-E1641 HydrophobicContact CG2-CG 3.45Å; T1396-E1641 VanDerWaalsContact CG2-CG 3.45Å; L1638-E1641 PolarHBondContact O-N 3.03Å; E1641-L1643 PolarHBondContact O-N 2.91Å; E1641-L1643 VanDerWaalsContact O-N 3.1Å |
| 1642 | P | 48.2 | Very low | 48.7 | Very low | 59 Ų | 59 | 97.7 Ų | 97.7 | 38% | 0.383 | 57% | 0.572 | S | S | . | * | | | trans | -62.7 | 113.2 | 175 | 23.4 | -32.3 | 0 | 0 | 0 | 111.6 | T1396 I1397 F1644 | T1396-P1642 VanDerWaalsContact OG1-CD 3.23Å; T1396-P1642 WeakPolarHBondContact OG1-CD 3.4Å; I1397-P1642 HydrophobicContact CB-CG 4.39Å; I1397-P1642 HydrophobicContact CD1-CG 3.8Å; I1397-P1642 HydrophobicContact CG1-CG 3.66Å; I1397-P1642 HydrophobicContact CG2-CG 4.04Å; P1642-F1644 PolarHBondContact O-N 2.8Å |
| 1643 | L | 40.5 | Very low | 46.1 | Very low | 144 Ų | 144 | 103.7 Ų | 103.7 | 75% | 0.754 | 59% | 0.592 | S | S | * | * | | | trans | -78.8 | 30.5 | -159.3 | -149.7 | 77.1 | 0 | 0 | 0 | 115.7 | E1641 | E1641-L1643 PolarHBondContact O-N 2.91Å; E1641-L1643 VanDerWaalsContact O-N 3.1Å |
| 1644 | F | 37.5 | Very low | 44.2 | Very low | 178 Ų | 178 | 104.6 Ų | 104.6 | 78% | 0.781 | 60% | 0.601 | S | S | * | * | | | trans | -135.4 | 93.6 | -176.2 | -67.9 | -70.1 | 0 | 0 | 0 | 112.3 | P1642 | P1642-F1644 PolarHBondContact O-N 2.8Š|
| 1645 | Q | 32.8 | Very low | 42.1 | Very low | 94 Ų | 94 | 110.5 Ų | 110.5 | 44% | 0.439 | 62% | 0.617 | S | S | . | * | | | trans | -87.2 | 122.6 | 158.8 | -51 | -154 | 31.1 | 0 | 0 | 107.5 | G1398 N1399 H1400 | G1398-Q1645 VanDerWaalsContact C-CD 3.49Å; G1398-Q1645 WeakPolarHBondContact O-CG 3.18Å; N1399-Q1645 VanDerWaalsContact N-OE1 3.14Å; N1399-Q1645 WeakPolarHBondContact OD1-CA 2.86Å; H1400-Q1645 PolarHBondContact CE1-OE1 2.91Å; H1400-Q1645 PolarHBondContact ND1-OE1 3.24Å |
| 1646 | S | 35 | Very low | 40 | Very low | 84 Ų | 84 | 111.6 Ų | 111.6 | 59% | 0.587 | 62% | 0.624 | S | S | * | * | | | trans | -108.5 | 114.2 | -177.7 | 55.3 | 0 | 0 | 0 | 0 | 110.4 | N1399 G1648 | N1399-S1646 PolarHBondContact OD1-N 3.35Å; N1399-S1646 PolarHBondContact OD1-OG 2.8Å; S1646-G1648 VanDerWaalsContact C-N 3.31Å; S1646-G1648 PolarHBondContact O-N 3.39Å |
| 1647 | D | 31.3 | Very low | 37.5 | Very low | 97 Ų | 97 | 115.7 Ų | 115.7 | 52% | 0.519 | 64% | 0.64 | S | S | . | * | | | trans | -64.5 | 82.3 | 178.7 | -70.3 | -71.4 | 0 | 0 | 0 | 112.8 | H1400 H1402 S1649 | H1400-D1647 WeakPolarHBondContact CB-OD1 3.26Å; H1400-D1647 IonicContact CD2-OD1 3.75Å; H1400-D1647 PolarHBondContact CD2-OD1 2.83Å; H1400-D1647 IonicContact CD2-OD2 3.69Å; H1400-D1647 IonicContact CG-OD1 3.74Å; H1402-D1647 IonicContact CD2-OD1 2.71Å; D1647-S1649 VanDerWaalsContact C-N 3.32Å; D1647-S1649 PolarHBondContact O-N 3.19Å |
| 1648 | G | 30.4 | Very low | 35.7 | Very low | 65 Ų | 65 | 122.5 Ų | 122.5 | 67% | 0.67 | 66% | 0.662 | S | S | * | * | | | trans | -88.2 | 52.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | S1646 C1650 | S1646-G1648 VanDerWaalsContact C-N 3.31Å; S1646-G1648 PolarHBondContact O-N 3.39Å; G1648-C1650 PolarHBondContact O-N 2.75Å |
| 1649 | S | 26.9 | Very low | 34.5 | Very low | 73 Ų | 73 | 124.3 Ų | 124.3 | 51% | 0.51 | 67% | 0.667 | S | S | . | * | | | trans | -66.4 | 115.1 | -178.3 | -176 | 0 | 0 | 0 | 0 | 112.2 | D1647 | D1647-S1649 VanDerWaalsContact C-N 3.32Å; D1647-S1649 PolarHBondContact O-N 3.19Å |
| 1650 | C | 26.1 | Very low | 33.4 | Very low | 130 Ų | 130 | 125.3 Ų | 125.3 | 88% | 0.878 | 67% | 0.667 | S | S | * | * | | | trans | -138.6 | 128.4 | 162.5 | -82.3 | 0 | 0 | 0 | 0 | 109 | G1648 | G1648-C1650 PolarHBondContact O-N 2.75Š|
| 1651 | S | 25.7 | Very low | 32.2 | Very low | 108 Ų | 108 | 130 Ų | 130 | 76% | 0.755 | 69% | 0.692 | S | S | * | * | | | trans | -91 | 139.7 | 178.9 | 52.5 | 0 | 0 | 0 | 0 | 111.3 | | |
| 1652 | E | 29.2 | Very low | 31.1 | Very low | 193 Ų | 193 | 131.1 Ų | 131.1 | 90% | 0.902 | 70% | 0.702 | S | S | * | * | | | trans | -126.2 | 118.9 | 160.5 | -153.5 | 82.9 | -117.1 | 0 | 0 | 107.8 | | |
| 1653 | E | 28.7 | Very low | 30.3 | Very low | 172 Ų | 172 | 138.3 Ų | 138.3 | 80% | 0.804 | 72% | 0.722 | S | S | * | * | | | trans | -93.1 | 141.6 | 172.2 | -60.9 | 176.9 | 115.8 | 0 | 0 | 109 | | |
| 1654 | N | 30.7 | Very low | 29.8 | Very low | 148 Ų | 148 | 138.4 Ų | 138.4 | 79% | 0.791 | 72% | 0.722 | S | S | * | * | | | trans | -178.6 | -179.2 | 141.9 | -106.8 | -59.3 | 0 | 0 | 0 | 114.6 | | |
| 1655 | K | 34.6 | Very low | 29.1 | Very low | 157 Ų | 157 | 138.4 Ų | 138.4 | 68% | 0.683 | 72% | 0.718 | S | S | * | * | | | trans | 78.8 | 77.4 | -178.2 | -54 | -177.1 | -175.7 | 178.9 | 0 | 111.5 | D842 | D842-K1655 IonicContact OD2-NZ 2.68Å; D842-K1655 PolarHBondContact OD2-NZ 2.94Å |
| 1656 | N | 30.3 | Very low | 29 | Very low | 130 Ų | 130 | 140.4 Ų | 140.4 | 70% | 0.695 | 74% | 0.739 | S | S | * | * | | | | 79.4 | 113.3 | 83.9 | -67.6 | 11.8 | 0 | 0 | 0 | 111.5 | | |
| 1657 | E | 24.6 | Very low | 28.7 | Very low | 167 Ų | 167 | 142.2 Ų | 142.2 | 78% | 0.78 | 74% | 0.742 | S | S | * | * | | | | 84.5 | 100.7 | 64.2 | -174.2 | 172.3 | -137.1 | 0 | 0 | 112.6 | | |
| 1658 | F | 25.7 | Very low | 28.7 | Very low | 208 Ų | 208 | 142.3 Ų | 142.3 | 91% | 0.912 | 75% | 0.746 | S | S | * | * | | | trans | -145.5 | 133.3 | 156.5 | -109.5 | -82.1 | 0 | 0 | 0 | 109.7 | | |
| 1659 | Q | 31.6 | Very low | 28.7 | Very low | 161 Ų | 161 | 149.4 Ų | 149.4 | 75% | 0.752 | 76% | 0.759 | S | S | * | * | | | trans | -118.2 | 149 | 164.6 | -80.9 | -153 | 56.9 | 0 | 0 | 106.5 | | |
| 1660 | P | 32.7 | Very low | 28.8 | Very low | 104 Ų | 104 | 150.9 Ų | 150.9 | 68% | 0.675 | 77% | 0.765 | S | S | * | * | | | | -155.6 | 160.7 | 68.2 | 41.9 | -21.1 | 0 | 0 | 0 | 119.1 | | |
| 1661 | I | 24.8 | Very low | 28.8 | Very low | 139 Ų | 139 | 151.7 Ų | 151.7 | 71% | 0.713 | 76% | 0.759 | S | S | * | * | | | | 44.5 | 120.7 | 129.6 | -55.8 | 166.3 | 0 | 0 | 0 | 116.5 | | |
| 1662 | N | 25.2 | Very low | 29 | Very low | 143 Ų | 143 | 153.3 Ų | 153.3 | 77% | 0.765 | 76% | 0.759 | S | S | * | * | | | | -178.8 | 172.9 | 70.5 | -147.6 | -27.9 | 0 | 0 | 0 | 114.6 | | |
| 1663 | R | 32.6 | Very low | 28.9 | Very low | 210 Ų | 210 | 151 Ų | 151 | 79% | 0.792 | 75% | 0.752 | S | S | * | * | | | trans | 95.5 | 105.3 | 157.2 | -60.7 | -164.4 | 179.1 | 177.7 | 1.3 | 122 | | |
| 1664 | L | 28.9 | Very low | 28.9 | Very low | 145 Ų | 145 | 148.2 Ų | 148.2 | 76% | 0.759 | 75% | 0.749 | S | S | * | * | | | trans | 73.3 | 103.3 | 130.9 | -79.1 | 125.5 | 0 | 0 | 0 | 122.6 | | |
| 1665 | Y | 23.7 | Very low | 28.6 | Very low | 179 Ų | 179 | 148.3 Ų | 148.3 | 70% | 0.702 | 75% | 0.749 | S | S | * | * | | | trans | 55.2 | 119 | 130 | -85.6 | -88.9 | 0 | 0 | 0 | 121.7 | D1667 | Y1665-D1667 HydrophobicContact CD1-CB 3.94Å; Y1665-D1667 HydrophobicContact CE1-CB 4.19Å |
| 1666 | P | 30.6 | Very low | 28.5 | Very low | 135 Ų | 135 | 148.1 Ų | 148.1 | 88% | 0.877 | 75% | 0.754 | S | S | * | * | | | | -117.6 | 152.3 | 116.1 | 35.5 | -33.4 | 0 | 0 | 0 | 112.1 | | |
| 1667 | D | 28.8 | Very low | 28.4 | Very low | 122 Ų | 122 | 147.7 Ų | 147.7 | 65% | 0.652 | 75% | 0.752 | S | S | * | * | | | trans | -122.5 | 159.7 | -166.6 | -150.7 | 1.4 | 0 | 0 | 0 | 115.5 | Y1665 | Y1665-D1667 HydrophobicContact CD1-CB 3.94Å; Y1665-D1667 HydrophobicContact CE1-CB 4.19Å |
| 1668 | V | 31 | Very low | 28.5 | Very low | 100 Ų | 100 | 145.5 Ų | 145.5 | 61% | 0.606 | 75% | 0.745 | S | S | * | * | | | trans | 23.7 | 107.1 | 172.8 | -155.1 | 0 | 0 | 0 | 0 | 119 | | |
| 1669 | K | 29.6 | Very low | 28.7 | Very low | 213 Ų | 213 | 142.6 Ų | 142.6 | 93% | 0.926 | 74% | 0.739 | S | S | * | * | | | | -147.1 | 82.5 | 129 | -124.7 | 165.6 | -169.5 | 168.6 | 0 | 114.1 | | |
| 1670 | T | 29.2 | Very low | 28.5 | Very low | 105 Ų | 105 | 142.3 Ų | 142.3 | 64% | 0.644 | 74% | 0.742 | S | S | * | * | | | trans | -48.5 | 148.9 | 167 | -27 | 0 | 0 | 0 | 0 | 112.9 | | |
| 1671 | I | 27.4 | Very low | 28.1 | Very low | 146 Ų | 146 | 146.1 Ų | 146.1 | 75% | 0.749 | 75% | 0.751 | S | S | * | * | | | | -176.8 | 131.3 | 120.6 | -95.6 | 157.2 | 0 | 0 | 0 | 111.5 | | |
| 1672 | N | 29.3 | Very low | 28.2 | Very low | 143 Ų | 143 | 145 Ų | 145 | 77% | 0.765 | 75% | 0.75 | S | S | * | * | | | trans | 57 | 90.6 | 163.1 | -59.6 | -3.4 | 0 | 0 | 0 | 119.7 | | |
| 1673 | L | 26.9 | Very low | 28.2 | Very low | 143 Ų | 143 | 145.9 Ų | 145.9 | 75% | 0.749 | 75% | 0.752 | S | S | * | * | | | trans | -66.4 | 160 | 147.4 | -67.6 | 66.9 | 0 | 0 | 0 | 109.2 | L1675 | L1673-L1675 HydrophobicContact CD2-CD1 4.26Š|
| 1674 | P | 29.3 | Very low | 28 | Very low | 115 Ų | 115 | 141.9 Ų | 141.9 | 75% | 0.747 | 75% | 0.753 | S | S | * | * | | | | -138.3 | 151 | 89.4 | 37.5 | -25.8 | 0 | 0 | 0 | 115 | | |
| 1675 | L | 24.6 | Very low | 28 | Very low | 149 Ų | 149 | 140.8 Ų | 140.8 | 78% | 0.78 | 75% | 0.752 | S | S | * | * | | | trans | -67.7 | 123.2 | 156.1 | -84.7 | 61.1 | 0 | 0 | 0 | 109.3 | L1673 | L1673-L1675 HydrophobicContact CD2-CD1 4.26Š|
| 1676 | I | 31.4 | Very low | 28.2 | Very low | 154 Ų | 154 | 139.5 Ų | 139.5 | 79% | 0.79 | 76% | 0.757 | S | S | * | * | | | trans | -141.1 | 93.5 | 144.5 | -55.7 | -176.5 | 0 | 0 | 0 | 104.4 | | |
| 1677 | N | 27.7 | Very low | 28.3 | Very low | 121 Ų | 121 | 138.1 Ų | 138.1 | 65% | 0.647 | 75% | 0.748 | S | S | * | * | | | | 72.2 | 113.9 | 73.1 | -156.8 | 94.5 | 0 | 0 | 0 | 112.7 | | |
| 1678 | D | 28.6 | Very low | 28.3 | Very low | 120 Ų | 120 | 139.5 Ų | 139.5 | 64% | 0.642 | 76% | 0.755 | S | S | * | * | | | trans | 39.8 | 104.8 | 162.3 | -51.2 | -28.2 | 0 | 0 | 0 | 119.6 | | |
| 1679 | N | 27.9 | Very low | 28.2 | Very low | 147 Ų | 147 | 138.2 Ų | 138.2 | 79% | 0.786 | 75% | 0.751 | S | S | * | * | | | | -174.5 | 119.4 | 118.8 | -96.6 | -72.6 | 0 | 0 | 0 | 107.2 | Q1681 | N1679-Q1681 PolarHBondContact O-N 3.31Š|
| 1680 | L | 28.1 | Very low | 28.2 | Very low | 155 Ų | 155 | 133.4 Ų | 133.4 | 81% | 0.812 | 74% | 0.739 | S | S | * | * | | | | 50.3 | 26.6 | 57.2 | -87.3 | 142.4 | 0 | 0 | 0 | 114.5 | T1682 | L1680-T1682 PolarHBondContact O-N 3.23Š|
| 1681 | Q | 24.8 | Very low | 28.1 | Very low | 184 Ų | 184 | 129.9 Ų | 129.9 | 86% | 0.86 | 72% | 0.718 | S | S | * | * | | | trans | -74.9 | 82.3 | 159.2 | -170.8 | 140.7 | 77 | 0 | 0 | 110.6 | N1679 | N1679-Q1681 PolarHBondContact O-N 3.31Š|
| 1682 | T | 27.1 | Very low | 28.3 | Very low | 116 Ų | 116 | 128.4 Ų | 128.4 | 71% | 0.712 | 71% | 0.712 | S | S | * | * | | | trans | -16.4 | 140.7 | 157.7 | 47.2 | 0 | 0 | 0 | 0 | 116.7 | L1680 | L1680-T1682 PolarHBondContact O-N 3.23Š|
| 1683 | M | 25.2 | Very low | 28.4 | Very low | 162 Ų | 162 | 126.6 Ų | 126.6 | 80% | 0.798 | 71% | 0.707 | S | S | * | * | | | trans | -39.9 | 129.9 | 171.5 | -79 | -71.7 | 167.7 | 0 | 0 | 113.7 | T1685 | M1683-T1685 PolarHBondContact O-N 3.04Š|
| 1684 | P | 28.8 | Very low | 28.4 | Very low | 126 Ų | 126 | 123.8 Ų | 123.8 | 82% | 0.818 | 71% | 0.713 | S | S | * | * | | | trans | -74.2 | 72.1 | 158.1 | 33.3 | -33 | 0 | 0 | 0 | 108.9 | L1686 | P1684-L1686 PolarHBondContact O-N 2.88Š|
| 1685 | T | 27.2 | Very low | 28.3 | Very low | 121 Ų | 121 | 126.2 Ų | 126.2 | 74% | 0.742 | 72% | 0.719 | S | S | * | * | | | trans | -53 | 137.3 | 164 | -53.2 | 0 | 0 | 0 | 0 | 108.1 | M1683 | M1683-T1685 PolarHBondContact O-N 3.04Š|
| 1686 | L | 28.7 | Very low | 28.5 | Very low | 153 Ų | 153 | 123.9 Ų | 123.9 | 80% | 0.801 | 72% | 0.715 | S | S | * | * | | | trans | -51.5 | 138.4 | -175.2 | -73.7 | 162.2 | 0 | 0 | 0 | 111.2 | P1684 D1688 | P1684-L1686 PolarHBondContact O-N 2.88Å; L1686-D1688 PolarHBondContact O-N 3.15Å |
| 1687 | P | 32.4 | Very low | 28.4 | Very low | 106 Ų | 106 | 124.7 Ų | 124.7 | 69% | 0.688 | 72% | 0.716 | S | S | * | * | | | trans | -69.3 | 96.4 | 179.9 | 28.6 | -34.1 | 0 | 0 | 0 | 110.1 | | |
| 1688 | D | 30.1 | Very low | 28.6 | Very low | 150 Ų | 150 | 125.3 Ų | 125.3 | 80% | 0.802 | 72% | 0.717 | S | S | * | * | | | trans | -67.8 | 167.2 | 175.2 | -146.5 | -23.8 | 0 | 0 | 0 | 111.7 | L1686 | L1686-D1688 PolarHBondContact O-N 3.15Š|
| 1689 | S | 28.3 | Very low | 28.8 | Very low | 73 Ų | 73 | 125.8 Ų | 125.8 | 51% | 0.51 | 73% | 0.725 | S | S | . | * | | | trans | 61.3 | 96.3 | -179.3 | -67.4 | 0 | 0 | 0 | 0 | 117 | | |
| 1690 | T | 28.2 | Very low | 29.1 | Very low | 112 Ų | 112 | 124.1 Ų | 124.1 | 69% | 0.687 | 71% | 0.712 | S | S | * | * | | | | 26.7 | 145.3 | 110.1 | 61.2 | 0 | 0 | 0 | 0 | 119.1 | | |
| 1691 | T | 29 | Very low | 29.1 | Very low | 31 Ų | 31 | 120.3 Ų | 120.3 | 19% | 0.19 | 70% | 0.697 | C | S | . | * | | | | -153.4 | 140.8 | 129.7 | -23.9 | 0 | 0 | 0 | 0 | 115.9 | T356 H357 | T356-T1691 VanDerWaalsContact CA-OG1 3.25Å; T356-T1691 WeakPolarHBondContact CA-OG1 3.02Å; T356-T1691 HydrophobicContact CG2-CG2 4.17Å; T356-T1691 PolarHBondContact N-OG1 3.14Å; T356-T1691 VanDerWaalsContact N-OG1 3.09Å; H357-T1691 WeakPolarHBondContact CA-OG1 3.28Å; H357-T1691 WeakPolarHBondContact CB-OG1 3.37Å; H357-T1691 PolarHBondContact CD2-N 3.29Å; H357-T1691 PolarHBondContact CD2-O 2.84Å; H357-T1691 VanDerWaalsContact CD2-O 3.23Å; H357-T1691 PolarHBondContact CE1-N 2.91Å; H357-T1691 PolarHBondContact N-OG1 3.2Å; H357-T1691 PolarHBondContact NE2-N 2.9Å; H357-T1691 PolarHBondContact NE2-O 2.93Å |
| 1692 | D | 30.9 | Very low | 29.3 | Very low | 116 Ų | 116 | 117.3 Ų | 117.3 | 62% | 0.62 | 70% | 0.697 | S | S | * | * | | | trans | 75.8 | 142.2 | 149.6 | -75.2 | -13.7 | 0 | 0 | 0 | 120.4 | T356 | T356-D1692 VanDerWaalsContact CG2-OD2 3.3Å; T356-D1692 WeakPolarHBondContact CG2-OD2 3.2Å |
| 1693 | P | 30.8 | Very low | 29.3 | Very low | 104 Ų | 104 | 114.9 Ų | 114.9 | 68% | 0.675 | 69% | 0.689 | S | S | * | * | | | trans | -122.1 | 129.3 | -143.9 | 18.4 | 5.8 | 0 | 0 | 0 | 113.3 | L1695 | P1693-L1695 PolarHBondContact O-N 2.91Š|
| 1694 | G | 26.8 | Very low | 29.5 | Very low | 84 Ų | 84 | 116.9 Ų | 116.9 | 87% | 0.866 | 69% | 0.693 | S | S | * | * | | | trans | -83 | 76.3 | 163.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | S1696 | G1694-S1696 PolarHBondContact O-N 3.4Š|
| 1695 | L | 28.4 | Very low | 29.6 | Very low | 166 Ų | 166 | 117.3 Ų | 117.3 | 87% | 0.869 | 69% | 0.694 | S | S | * | * | | | trans | -78.4 | 103.2 | 169.3 | -76.9 | 178.8 | 0 | 0 | 0 | 110.8 | P1693 | P1693-L1695 PolarHBondContact O-N 2.91Š|
| 1696 | S | 29.1 | Very low | 29.6 | Very low | 101 Ų | 101 | 117.2 Ų | 117.2 | 71% | 0.706 | 69% | 0.693 | S | S | * | * | | | trans | -154.3 | 90.5 | 155.6 | 58.7 | 0 | 0 | 0 | 0 | 106.7 | G1694 | G1694-S1696 PolarHBondContact O-N 3.4Š|
| 1697 | E | 29.1 | Very low | 29.8 | Very low | 171 Ų | 171 | 115.6 Ų | 115.6 | 80% | 0.799 | 69% | 0.692 | S | S | * | * | | | | 73.4 | 99.1 | 86.1 | -174.9 | 176.3 | -138.5 | 0 | 0 | 111.6 | | |
| 1698 | I | 31.5 | Very low | 29.5 | Very low | 133 Ų | 133 | 117.8 Ų | 117.8 | 68% | 0.682 | 70% | 0.697 | S | S | * | * | | | trans | -173.5 | 100.9 | 137.6 | -87.9 | 147 | 0 | 0 | 0 | 104 | E1700 | I1698-E1700 HydrophobicContact CG2-CG 3.81Š|
| 1699 | V | 32.9 | Very low | 29.6 | Very low | 131 Ų | 131 | 115.8 Ų | 115.8 | 79% | 0.794 | 69% | 0.692 | S | S | * | * | | | trans | -107 | 90.7 | 171.5 | 177.1 | 0 | 0 | 0 | 0 | 107.1 | C1701 | V1699-C1701 PolarHBondContact O-N 3.25Š|
| 1700 | E | 33.1 | Very low | 29.6 | Very low | 111 Ų | 111 | 119.6 Ų | 119.6 | 52% | 0.519 | 70% | 0.702 | S | S | . | * | P | Polyproline II helix | trans | -74.6 | 122.5 | 173.9 | -73 | -179.1 | 175.6 | 0 | 0 | 109.6 | S1502 I1698 S1702 | S1502-E1700 WeakPolarHBondContact CB-OE1 3.33Å; S1502-E1700 WeakPolarHBondContact CB-OE2 3.29Å; S1502-E1700 VanDerWaalsContact OG-CD 3.22Å; S1502-E1700 PolarHBondContact OG-OE2 3.39Å; I1698-E1700 HydrophobicContact CG2-CG 3.81Å; E1700-S1702 PolarHBondContact O-N 2.85Å |
| 1701 | C | 29.4 | Very low | 29.6 | Very low | 75 Ų | 75 | 123.7 Ų | 123.7 | 51% | 0.507 | 71% | 0.705 | S | S | . | * | P | Polyproline II helix | trans | -76.7 | 117.6 | -165.4 | -53.8 | 0 | 0 | 0 | 0 | 113.1 | V1699 | V1699-C1701 PolarHBondContact O-N 3.25Š|
| 1702 | S | 29.1 | Very low | 29.7 | Very low | 121 Ų | 121 | 126.2 Ų | 126.2 | 85% | 0.846 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 117.3 | 150.1 | -171.9 | 0 | 0 | 0 | 0 | 109.1 | E1700 | E1700-S1702 PolarHBondContact O-N 2.85Š|
| 1703 | A | 27.3 | Very low | 29.5 | Very low | 66 Ų | 66 | 122.7 Ų | 122.7 | 55% | 0.545 | 70% | 0.701 | S | S | . | * | | | trans | -72.7 | -176 | 163.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 1704 | F | 28.8 | Very low | 29.3 | Very low | 203 Ų | 203 | 124 Ų | 124 | 89% | 0.89 | 70% | 0.698 | S | S | * | * | | | trans | 72.7 | 59.9 | 174.1 | -57.4 | -78.5 | 0 | 0 | 0 | 117.4 | | |
| 1705 | T | 29.8 | Very low | 29.4 | Very low | 135 Ų | 135 | 125.8 Ų | 125.8 | 83% | 0.828 | 69% | 0.693 | S | S | * | * | | | | -147 | 131.3 | 120.8 | -77.3 | 0 | 0 | 0 | 0 | 108.9 | P1707 | T1705-P1707 WeakPolarHBondContact O-CD 3.36Š|
| 1706 | T | 28.2 | Very low | 29.2 | Very low | 119 Ų | 119 | 126 Ų | 126 | 73% | 0.73 | 69% | 0.691 | S | S | * | * | | | trans | -97.4 | 107.9 | -177.6 | 45.5 | 0 | 0 | 0 | 0 | 110.7 | | |
| 1707 | P | 33.2 | Very low | 29.1 | Very low | 119 Ų | 119 | 128.2 Ų | 128.2 | 77% | 0.773 | 69% | 0.694 | S | S | * | * | | | trans | -71.4 | 132.4 | 163.6 | 30.2 | -31.9 | 0 | 0 | 0 | 109.3 | T1705 | T1705-P1707 WeakPolarHBondContact O-CD 3.36Š|
| 1708 | L | 26 | Very low | 28.8 | Very low | 152 Ų | 152 | 126.1 Ų | 126.1 | 80% | 0.796 | 70% | 0.698 | S | S | * | * | | | trans | -73.3 | 148.3 | 172.3 | -92.3 | 72 | 0 | 0 | 0 | 110.4 | H1710 | L1708-H1710 PolarHBondContact O-N 3.49Š|
| 1709 | P | 31.6 | Very low | 28.7 | Very low | 109 Ų | 109 | 125.9 Ų | 125.9 | 71% | 0.708 | 70% | 0.703 | S | S | * | * | | | trans | -85.5 | 115.1 | -172.3 | 32.3 | -33.5 | 0 | 0 | 0 | 112.5 | | |
| 1710 | H | 27.9 | Very low | 28.6 | Very low | 152 Ų | 152 | 123.8 Ų | 123.8 | 70% | 0.704 | 70% | 0.7 | S | S | * | * | | | trans | -57.8 | 134.2 | 139.3 | -79.4 | -97 | 0 | 0 | 0 | 107.7 | F921 L1708 | F921-H1710 AromaticContact CD1-ND1 3.48Å; F921-H1710 WeakPolarHBondContact CD1-ND1 3.44Å; F921-H1710 AromaticContact CD2-ND1 3.81Å; F921-H1710 HydrophobicContact CE1-CB 4.35Å; F921-H1710 AromaticContact CE1-ND1 3.75Å; F921-H1710 HydrophobicContact CE2-CB 3.98Å; F921-H1710 AromaticContact CG-ND1 3.65Å; F921-H1710 HydrophobicContact CZ-CB 4Å; L1708-H1710 PolarHBondContact O-N 3.49Å |
| 1711 | R | 28.3 | Very low | 28.4 | Very low | 198 Ų | 198 | 124.1 Ų | 124.1 | 75% | 0.747 | 71% | 0.711 | S | S | * | * | | | trans | -80.7 | -135.4 | 172.6 | -65.7 | 179.4 | 159.6 | 166.1 | -4.2 | 109.5 | F921 | F921-R1711 VanDerWaalsContact CE2-O 3.26Å; F921-R1711 WeakPolarHBondContact CE2-O 3.27Å; F921-R1711 HydrophobicContact CZ-CB 3.96Å; F921-R1711 WeakPolarHBondContact CZ-O 3.02Å |
| 1712 | T | 31.4 | Very low | 28.2 | Very low | 85 Ų | 85 | 128.4 Ų | 128.4 | 52% | 0.521 | 72% | 0.724 | S | S | . | * | | | trans | -144.8 | 138.1 | 153.8 | -39.7 | 0 | 0 | 0 | 0 | 109.1 | | |
| 1713 | L | 26.1 | Very low | 28.2 | Very low | 42 Ų | 42 | 128.4 Ų | 128.4 | 22% | 0.22 | 71% | 0.714 | C | S | . | * | | | trans | -130.4 | 176.8 | 164.2 | -72.3 | -171.9 | 0 | 0 | 0 | 109.8 | E922 S924 | E922-L1713 HydrophobicContact CB-CD1 4.38Å; E922-L1713 HydrophobicContact CG-CD1 3.43Å; E922-L1713 VanDerWaalsContact CG-CD1 3.43Å; E922-L1713 HydrophobicContact CG-CG 4.15Å; S924-L1713 VanDerWaalsContact CB-CD1 3.49Å; S924-L1713 WeakPolarHBondContact OG-CD1 3.39Å |
| 1714 | E | 27.6 | Very low | 28.1 | Very low | 131 Ų | 131 | 132.6 Ų | 132.6 | 61% | 0.612 | 73% | 0.727 | S | S | * | * | | | trans | 82 | 53 | -156.4 | -63.4 | -61.7 | 136.8 | 0 | 0 | 114.7 | | |
| 1715 | T | 28.6 | Very low | 27.7 | Very low | 122 Ų | 122 | 126.6 Ų | 126.6 | 75% | 0.748 | 71% | 0.71 | S | S | * | * | | | trans | -155.8 | 129.5 | 143.7 | -31 | 0 | 0 | 0 | 0 | 111.7 | | |
| 1716 | M | 25.1 | Very low | 27.4 | Very low | 169 Ų | 169 | 127 Ų | 127 | 83% | 0.833 | 71% | 0.707 | S | S | * | * | | | trans | 66.8 | 130.7 | -176.7 | -38.9 | -153.5 | 81.3 | 0 | 0 | 113.5 | | |
| 1717 | L | 25.9 | Very low | 27.2 | Very low | 148 Ų | 148 | 131.4 Ų | 131.4 | 78% | 0.775 | 71% | 0.712 | S | S | * | * | | | cis | -122.6 | 135.6 | 16.6 | -74 | 156.1 | 0 | 0 | 0 | 112.9 | | |
| 1718 | S | 23.3 | Very low | 26.7 | Very low | 127 Ų | 127 | 132 Ų | 132 | 89% | 0.888 | 71% | 0.705 | S | S | * | * | | | trans | -120.8 | 96.5 | 155.4 | -83 | 0 | 0 | 0 | 0 | 108.8 | | |
| 1719 | V | 29.8 | Very low | 26.6 | Very low | 128 Ų | 128 | 132.4 Ų | 132.4 | 78% | 0.776 | 70% | 0.7 | S | S | * | * | | | trans | -140.8 | 123.4 | 159.9 | -177.2 | 0 | 0 | 0 | 0 | 106.4 | | |
| 1720 | A | 29.5 | Very low | 26.3 | Very low | 88 Ų | 88 | 136.6 Ų | 136.6 | 73% | 0.727 | 71% | 0.707 | S | S | * | * | | | trans | -89.9 | 144.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 1721 | P | 29 | Very low | 26.5 | Very low | 117 Ų | 117 | 134 Ų | 134 | 76% | 0.76 | 70% | 0.704 | S | S | * | * | | | | -127.1 | 149.8 | 115.9 | 35.6 | -28.5 | 0 | 0 | 0 | 110.1 | | |
| 1722 | E | 25.5 | Very low | 26.3 | Very low | 165 Ų | 165 | 132 Ų | 132 | 77% | 0.771 | 71% | 0.707 | S | S | * | * | | | cis | 63.6 | 79.1 | 15.2 | -136.3 | -161.6 | -98.7 | 0 | 0 | 115.1 | | |
| 1723 | N | 28.5 | Very low | 25.9 | Very low | 121 Ų | 121 | 134 Ų | 134 | 65% | 0.647 | 72% | 0.715 | S | S | * | * | | | | 176.7 | 154.3 | 108.7 | -101.5 | -77.4 | 0 | 0 | 0 | 115.3 | | |
| 1724 | L | 25.4 | Very low | 25.9 | Very low | 154 Ų | 154 | 138.6 Ų | 138.6 | 81% | 0.806 | 74% | 0.739 | S | S | * | * | | | trans | 62.2 | 153 | 158.6 | -60.8 | 159.5 | 0 | 0 | 0 | 119.7 | | |
| 1725 | S | 21.7 | Very low | 25.7 | Very low | 77 Ų | 77 | 138.2 Ų | 138.2 | 54% | 0.538 | 75% | 0.746 | S | S | . | * | | | | 178.5 | 130.6 | -56.8 | 50.9 | 0 | 0 | 0 | 0 | 110.6 | | |
| 1726 | N | 22.9 | Very low | 25.8 | Very low | 144 Ų | 144 | 142.7 Ų | 142.7 | 77% | 0.77 | 76% | 0.755 | S | S | * | * | | | trans | 59.1 | 169.6 | 149.1 | -66.6 | -29.1 | 0 | 0 | 0 | 120.6 | | |
| 1727 | Y | 24.1 | Very low | 25.8 | Very low | 211 Ų | 211 | 143.8 Ų | 143.8 | 83% | 0.827 | 76% | 0.756 | S | S | * | * | | | trans | 74.6 | 132.6 | 175.1 | -59.3 | -72.7 | 0 | 0 | 0 | 116 | | |
| 1728 | Q | 23.6 | Very low | 25.9 | Very low | 133 Ų | 133 | 145 Ų | 145 | 62% | 0.621 | 76% | 0.762 | S | S | * | * | | | cis | -166.2 | 140.4 | -4.2 | 174.2 | 169.3 | -115 | 0 | 0 | 113.4 | | |
| 1729 | K | 23.7 | Very low | 25.9 | Very low | 159 Ų | 159 | 145.4 Ų | 145.4 | 69% | 0.691 | 75% | 0.754 | S | S | * | * | | | trans | 60.4 | 123.7 | 160.7 | -72.9 | 163.7 | -168.4 | 158 | 0 | 117.2 | | |
| 1730 | F | 23.9 | Very low | 25.6 | Very low | 198 Ų | 198 | 147 Ų | 147 | 87% | 0.868 | 76% | 0.757 | S | S | * | * | | | cis | 58.4 | 149 | 49.2 | -67.8 | -65.5 | 0 | 0 | 0 | 115.1 | | |
| 1731 | P | 33.5 | Very low | 25.6 | Very low | 97 Ų | 97 | 147.7 Ų | 147.7 | 63% | 0.63 | 75% | 0.754 | S | S | * | * | | | cis | -137.9 | 165.1 | -22.5 | 37.9 | -21.4 | 0 | 0 | 0 | 115.2 | | |
| 1732 | L | 22.9 | Very low | 25.3 | Very low | 157 Ų | 157 | 146.1 Ų | 146.1 | 82% | 0.822 | 74% | 0.743 | S | S | * | * | | | trans | -169.4 | 131 | 135.2 | -124.1 | 64.5 | 0 | 0 | 0 | 106.6 | | |
| 1733 | N | 23.5 | Very low | 25.6 | Very low | 126 Ų | 126 | 144.4 Ų | 144.4 | 67% | 0.674 | 74% | 0.743 | S | S | * | * | | | cis | 62.9 | 90.9 | 45.2 | -70.7 | 0.3 | 0 | 0 | 0 | 114.5 | | |
| 1734 | N | 25 | Very low | 25.4 | Very low | 138 Ų | 138 | 147 Ų | 147 | 74% | 0.738 | 75% | 0.751 | S | S | * | * | | | | 179.2 | 109.6 | 105.3 | -88.4 | -13.3 | 0 | 0 | 0 | 114.4 | | |
| 1735 | T | 24.6 | Very low | 25.3 | Very low | 124 Ų | 124 | 147.7 Ų | 147.7 | 76% | 0.761 | 76% | 0.756 | S | S | * | * | | | trans | 28.4 | 103.9 | 130.1 | 57.8 | 0 | 0 | 0 | 0 | 119.8 | | |
| 1736 | K | 30 | Very low | 25.5 | Very low | 215 Ų | 215 | 147.4 Ų | 147.4 | 94% | 0.935 | 77% | 0.766 | S | S | * | * | | | trans | -125.7 | 94.5 | 136.9 | -79.6 | -169.9 | 176.5 | -178.3 | 0 | 109.8 | L1738 | K1736-L1738 PolarHBondContact O-N 3.45Š|
| 1737 | K | 26.2 | Very low | 25.7 | Very low | 193 Ų | 193 | 150.9 Ų | 150.9 | 84% | 0.839 | 77% | 0.768 | S | S | * | * | | | trans | -77 | 108.5 | 157.3 | -81.1 | -174.6 | 175.4 | -178.8 | 0 | 107 | | |
| 1738 | L | 26.7 | Very low | 25.9 | Very low | 173 Ų | 173 | 147.6 Ų | 147.6 | 91% | 0.906 | 77% | 0.765 | S | S | * | * | | | trans | -82.1 | 114.6 | 159.4 | -166.3 | 71.7 | 0 | 0 | 0 | 106.8 | K1736 L1740 | K1736-L1738 PolarHBondContact O-N 3.45Å; L1738-L1740 PolarHBondContact O-N 3.24Å |
| 1739 | N | 23.7 | Very low | 26.3 | Very low | 136 Ų | 136 | 150.1 Ų | 150.1 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 123.5 | 174.3 | -70.8 | -31.2 | 0 | 0 | 0 | 108.6 | | |
| 1740 | L | 24.3 | Very low | 26.6 | Very low | 161 Ų | 161 | 151.3 Ų | 151.3 | 84% | 0.843 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 129.5 | 161.4 | -162.1 | 72.3 | 0 | 0 | 0 | 107.6 | L1738 T1742 | L1738-L1740 PolarHBondContact O-N 3.24Å; L1740-T1742 PolarHBondContact O-N 2.76Å |
| 1741 | P | 28.3 | Very low | 26.7 | Very low | 102 Ų | 102 | 150.9 Ų | 150.9 | 66% | 0.662 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 118.9 | -175.6 | 26.6 | -33.7 | 0 | 0 | 0 | 110.9 | V1743 | P1741-V1743 HydrophobicContact CB-CG2 4.38Å; P1741-V1743 PolarHBondContact O-N 2.76Å |
| 1742 | T | 24.1 | Very low | 26.5 | Very low | 84 Ų | 84 | 151.9 Ų | 151.9 | 52% | 0.515 | 78% | 0.784 | S | S | . | * | | | trans | -72.6 | 93.9 | 164.5 | -52.1 | 0 | 0 | 0 | 0 | 108.4 | L1740 | L1740-T1742 PolarHBondContact O-N 2.76Š|
| 1743 | V | 30.4 | Very low | 26.8 | Very low | 130 Ų | 130 | 151.6 Ų | 151.6 | 79% | 0.788 | 78% | 0.783 | S | S | * | * | | | trans | -90.8 | 133.7 | 165.6 | -175.2 | 0 | 0 | 0 | 0 | 108.1 | P1741 | P1741-V1743 HydrophobicContact CB-CG2 4.38Å; P1741-V1743 PolarHBondContact O-N 2.76Å |
| 1744 | Q | 24.6 | Very low | 27 | Very low | 174 Ų | 174 | 153.2 Ų | 153.2 | 81% | 0.813 | 79% | 0.785 | S | S | * | * | | | trans | -103.9 | 148 | -170.3 | -175.9 | 173.4 | -13.7 | 0 | 0 | 110.3 | G1746 | Q1744-G1746 PolarHBondContact O-N 3.06Š|
| 1745 | N | 24.7 | Very low | 27.3 | Very low | 169 Ų | 169 | 153.6 Ų | 153.6 | 90% | 0.904 | 79% | 0.785 | S | S | * | * | | | trans | -37.9 | 124.8 | -174.5 | -63.8 | -2.4 | 0 | 0 | 0 | 114.8 | | |
| 1746 | G | 25.7 | Very low | 27.6 | Very low | 72 Ų | 72 | 154.7 Ų | 154.7 | 74% | 0.742 | 79% | 0.786 | S | S | * | * | | | trans | -153.2 | 90.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q1744 | Q1744-G1746 PolarHBondContact O-N 3.06Š|
| 1747 | R | 26.1 | Very low | 27.7 | Very low | 217 Ų | 217 | 148.7 Ų | 148.7 | 82% | 0.819 | 77% | 0.771 | S | S | * | * | | | trans | 49.6 | 118.4 | 159.4 | -69.6 | -163.6 | 171.4 | 152.9 | -2.2 | 121.2 | E1749 | R1747-E1749 PolarHBondContact O-N 2.81Š|
| 1748 | D | 27.5 | Very low | 28.1 | Very low | 142 Ų | 142 | 145 Ų | 145 | 76% | 0.759 | 77% | 0.767 | S | S | * | * | | | | 62.3 | 34.2 | 115.3 | -39.3 | -24.8 | 0 | 0 | 0 | 120.3 | K1750 | D1748-K1750 PolarHBondContact O-N 2.71Š|
| 1749 | E | 33.6 | Very low | 28.3 | Very low | 185 Ų | 185 | 144.6 Ų | 144.6 | 86% | 0.864 | 76% | 0.76 | S | S | * | * | | | trans | -74.1 | 117.8 | 154 | -71.2 | -164 | 168.4 | 0 | 0 | 109.9 | R1747 | R1747-E1749 PolarHBondContact O-N 2.81Š|
| 1750 | K | 29.4 | Very low | 28.5 | Very low | 185 Ų | 185 | 143 Ų | 143 | 80% | 0.804 | 76% | 0.76 | S | S | * | * | | | trans | -59.7 | 141.3 | 175.6 | -72.9 | 177.4 | 176.5 | 175 | 0 | 109.7 | D1748 T1752 | D1748-K1750 PolarHBondContact O-N 2.71Å; K1750-T1752 PolarHBondContact O-N 2.89Å |
| 1751 | F | 25.2 | Very low | 28.6 | Very low | 189 Ų | 189 | 143.8 Ų | 143.8 | 83% | 0.829 | 76% | 0.757 | S | S | * | * | | | trans | -65.7 | 82.4 | 160.9 | -81.1 | -113.2 | 0 | 0 | 0 | 109.3 | F1754 | F1751-F1754 HydrophobicContact CD1-CD2 4.11Å; F1751-F1754 HydrophobicContact CD1-CE2 4.05Å; F1751-F1754 HydrophobicContact CE1-CD2 4.34Å; F1751-F1754 AromaticContact CE1-CE2 3.85Å; F1751-F1754 HydrophobicContact CE1-CE2 3.85Å |
| 1752 | T | 29.3 | Very low | 28.7 | Very low | 118 Ų | 118 | 147.8 Ų | 147.8 | 72% | 0.724 | 77% | 0.767 | S | S | * | * | | | trans | -67.9 | 144 | 156.2 | 40 | 0 | 0 | 0 | 0 | 108.7 | K1750 F1754 | K1750-T1752 PolarHBondContact O-N 2.89Å; T1752-F1754 PolarHBondContact O-N 3.41Å |
| 1753 | D | 29.3 | Very low | 28.9 | Very low | 150 Ų | 150 | 150.7 Ų | 150.7 | 80% | 0.802 | 78% | 0.778 | S | S | * | * | | | trans | -26.4 | 121.4 | -170.2 | -59 | -45 | 0 | 0 | 0 | 115.1 | I1755 | D1753-I1755 PolarHBondContact O-N 3.16Š|
| 1754 | F | 27.8 | Very low | 28.9 | Very low | 160 Ų | 160 | 149.3 Ų | 149.3 | 70% | 0.702 | 77% | 0.774 | S | S | * | * | | | trans | -62.8 | 89 | 171 | -122.1 | -103.8 | 0 | 0 | 0 | 108.7 | F1751 T1752 L1756 | F1751-F1754 HydrophobicContact CD1-CD2 4.11Å; F1751-F1754 HydrophobicContact CD1-CE2 4.05Å; F1751-F1754 HydrophobicContact CE1-CD2 4.34Å; F1751-F1754 AromaticContact CE1-CE2 3.85Å; F1751-F1754 HydrophobicContact CE1-CE2 3.85Å; T1752-F1754 PolarHBondContact O-N 3.41Å; F1754-L1756 VanDerWaalsContact C-N 3.25Å; F1754-L1756 PolarHBondContact O-N 2.8Å |
| 1755 | I | 31.6 | Very low | 29.3 | Very low | 146 Ų | 146 | 146.4 Ų | 146.4 | 75% | 0.749 | 77% | 0.773 | S | S | * | * | | | trans | -57.3 | 102.4 | 157.6 | -59.6 | 177.7 | 0 | 0 | 0 | 104.1 | D1753 S1757 | D1753-I1755 PolarHBondContact O-N 3.16Å; I1755-S1757 PolarHBondContact O-N 2.87Å |
| 1756 | L | 30.7 | Very low | 29.7 | Very low | 147 Ų | 147 | 145.6 Ų | 145.6 | 77% | 0.77 | 77% | 0.769 | S | S | * | * | | | trans | -65 | 75.1 | 162.4 | -74.5 | 169.7 | 0 | 0 | 0 | 106.7 | F1754 | F1754-L1756 VanDerWaalsContact C-N 3.25Å; F1754-L1756 PolarHBondContact O-N 2.8Å |
| 1757 | S | 31.7 | Very low | 30 | Very low | 89 Ų | 89 | 149.7 Ų | 149.7 | 62% | 0.622 | 77% | 0.767 | S | S | * | * | | | trans | -53.8 | 121.5 | 169.7 | -175.2 | 0 | 0 | 0 | 0 | 105.3 | I1755 Q1759 | I1755-S1757 PolarHBondContact O-N 2.87Å; S1757-Q1759 PolarHBondContact O-N 3.49Å |
| 1758 | P | 35.4 | Very low | 30.8 | Very low | 117 Ų | 117 | 144.3 Ų | 144.3 | 76% | 0.76 | 75% | 0.754 | S | S | * | * | | | trans | -68.2 | 89.7 | -178.1 | 27.6 | -33.1 | 0 | 0 | 0 | 107.2 | S1760 | P1758-S1760 PolarHBondContact O-N 3.26Š|
| 1759 | Q | 30 | Very low | 31.4 | Very low | 164 Ų | 164 | 142.7 Ų | 142.7 | 77% | 0.766 | 75% | 0.751 | S | S | * | * | | | trans | -61.7 | 104 | 179.9 | -172.9 | 170.6 | 16.8 | 0 | 0 | 106.4 | S1757 F1761 | S1757-Q1759 PolarHBondContact O-N 3.49Å; Q1759-F1761 PolarHBondContact O-N 2.92Å |
| 1760 | S | 29.7 | Very low | 32 | Very low | 103 Ų | 103 | 141 Ų | 141 | 72% | 0.72 | 75% | 0.748 | S | S | * | * | | | trans | -66.5 | 98.8 | -170.5 | 38.4 | 0 | 0 | 0 | 0 | 108.7 | P1758 Q1762 | P1758-S1760 PolarHBondContact O-N 3.26Å; S1760-Q1762 PolarHBondContact O-N 2.92Å |
| 1761 | F | 26.4 | Very low | 32.7 | Very low | 176 Ų | 176 | 135.9 Ų | 135.9 | 77% | 0.772 | 74% | 0.735 | S | S | * | * | | | trans | -54.6 | 107.4 | 168.5 | -71.4 | -78.8 | 0 | 0 | 0 | 107.5 | Q1759 L1763 | Q1759-F1761 PolarHBondContact O-N 2.92Å; F1761-L1763 PolarHBondContact O-N 3.5Å |
| 1762 | Q | 29.5 | Very low | 33.6 | Very low | 187 Ų | 187 | 132 Ų | 132 | 87% | 0.874 | 73% | 0.732 | S | S | * | * | | | trans | -66.2 | 99 | 177.6 | -73.1 | -174 | -32.3 | 0 | 0 | 107.8 | S1760 S1764 | S1760-Q1762 PolarHBondContact O-N 2.92Å; Q1762-S1764 VanDerWaalsContact C-N 3.34Å; Q1762-S1764 PolarHBondContact O-N 3.32Å |
| 1763 | L | 28.2 | Very low | 34.6 | Very low | 145 Ų | 145 | 130.7 Ų | 130.7 | 76% | 0.759 | 72% | 0.72 | S | S | * | * | | | trans | -60.5 | 98.9 | 168.9 | -76.5 | 164.6 | 0 | 0 | 0 | 107.8 | F1761 S1765 | F1761-L1763 PolarHBondContact O-N 3.5Å; L1763-S1765 PolarHBondContact O-N 3.33Å |
| 1764 | S | 30.9 | Very low | 35.8 | Very low | 101 Ų | 101 | 128.4 Ų | 128.4 | 71% | 0.706 | 71% | 0.714 | S | S | * | * | | | trans | -57.5 | 127.8 | 177.6 | 52.5 | 0 | 0 | 0 | 0 | 109.4 | Q1762 N1766 | Q1762-S1764 VanDerWaalsContact C-N 3.34Å; Q1762-S1764 PolarHBondContact O-N 3.32Å; S1764-N1766 PolarHBondContact O-N 3.12Å |
| 1765 | S | 31.8 | Very low | 37.2 | Very low | 112 Ų | 112 | 126 Ų | 126 | 78% | 0.783 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -75.9 | 32.9 | -164.7 | 59.9 | 0 | 0 | 0 | 0 | 115.8 | L1763 F1767 | L1763-S1765 PolarHBondContact O-N 3.33Å; S1765-F1767 PolarHBondContact O-N 2.77Å |
| 1766 | N | 34.9 | Very low | 38.4 | Very low | 153 Ų | 153 | 125.3 Ų | 125.3 | 82% | 0.818 | 70% | 0.702 | S | S | * | * | | | trans | -95.2 | 78.6 | 169.7 | -79.8 | -3 | 0 | 0 | 0 | 109.4 | S1764 D1768 | S1764-N1766 PolarHBondContact O-N 3.12Å; N1766-D1768 PolarHBondContact O-N 2.86Å |
| 1767 | F | 30.6 | Very low | 39.8 | Very low | 158 Ų | 158 | 121.2 Ų | 121.2 | 69% | 0.693 | 69% | 0.686 | S | S | * | * | | | trans | -80.3 | 103.3 | 167.7 | -89.3 | -94.8 | 0 | 0 | 0 | 109.6 | S1765 | S1765-F1767 PolarHBondContact O-N 2.77Š|
| 1768 | D | 42.5 | Very low | 41.5 | Very low | 104 Ų | 104 | 119.3 Ų | 119.3 | 56% | 0.556 | 68% | 0.675 | S | S | * | * | | | trans | -109.3 | 103.8 | 162.8 | -169.1 | -19.2 | 0 | 0 | 0 | 108.5 | N1766 D1770 S1771 | N1766-D1768 PolarHBondContact O-N 2.86Å; D1768-D1770 PolarHBondContact O-N 3.1Å; D1768-D1770 PolarHBondContact OD1-N 3Å; D1768-S1771 PolarHBondContact O-N 3.47Å; D1768-S1771 PolarHBondContact O-OG 3.25Å |
| 1769 | P | 41.8 | Very low | 43.3 | Very low | 107 Ų | 107 | 118.7 Ų | 118.7 | 70% | 0.695 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | -14.4 | -171.2 | 29.5 | -35.5 | 0 | 0 | 0 | 114 | | |
| 1770 | D | 46.3 | Very low | 45.4 | Very low | 150 Ų | 150 | 116.1 Ų | 116.1 | 80% | 0.802 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.7 | -16 | -178.8 | -77.1 | -16.6 | 0 | 0 | 0 | 112.6 | D1768 S1772 | D1768-D1770 PolarHBondContact O-N 3.1Å; D1768-D1770 PolarHBondContact OD1-N 3Å; D1770-S1772 VanDerWaalsContact C-N 3.31Å; D1770-S1772 PolarHBondContact O-N 3.46Å |
| 1771 | S | 43.9 | Very low | 47.5 | Very low | 77 Ų | 77 | 118.4 Ų | 118.4 | 54% | 0.538 | 64% | 0.642 | S | S | . | * | | | trans | -83.5 | 67.6 | 174 | 66.5 | 0 | 0 | 0 | 0 | 112.7 | D1768 D1773 | D1768-S1771 PolarHBondContact O-N 3.47Å; D1768-S1771 PolarHBondContact O-OG 3.25Å; S1771-D1773 PolarHBondContact O-N 3.25Å |
| 1772 | S | 42.6 | Very low | 50 | Low | 108 Ų | 108 | 113.3 Ų | 113.3 | 76% | 0.755 | 63% | 0.628 | S | S | * | * | | | trans | -69.7 | 66.8 | 174.5 | -69.1 | 0 | 0 | 0 | 0 | 113.2 | D1770 | D1770-S1772 VanDerWaalsContact C-N 3.31Å; D1770-S1772 PolarHBondContact O-N 3.46Å |
| 1773 | D | 51 | Low | 52.8 | Low | 91 Ų | 91 | 108.4 Ų | 108.4 | 49% | 0.487 | 61% | 0.608 | S | S | . | * | | | trans | -70.8 | 122.2 | 169.8 | -170.5 | -43 | 0 | 0 | 0 | 109.6 | S1771 N1775 E1776 | S1771-D1773 PolarHBondContact O-N 3.25Å; D1773-N1775 PolarHBondContact O-N 3.42Å; D1773-N1775 WeakPolarHBondContact OD1-CB 3.14Å; D1773-N1775 PolarHBondContact OD1-N 2.96Å; D1773-N1775 PolarHBondContact OD1-ND2 3.28Å; D1773-E1776 PolarHBondContact O-N 3.44Å |
| 1774 | P | 54.6 | Low | 55.7 | Low | 102 Ų | 102 | 105.1 Ų | 105.1 | 66% | 0.662 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -59.5 | -20.1 | -177.8 | 23.6 | -34 | 0 | 0 | 0 | 114.2 | E1776 S1777 A1778 | P1774-E1776 VanDerWaalsContact C-N 3.32Å; P1774-E1776 PolarHBondContact O-N 2.76Å; P1774-S1777 PolarHBondContact O-N 3.41Å; P1774-S1777 PolarHBondContact O-OG 2.74Å; P1774-A1778 PolarHBondContact O-N 3.36Å |
| 1775 | N | 57 | Low | 58.4 | Low | 109 Ų | 109 | 104.1 Ų | 104.1 | 58% | 0.583 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -62.4 | -34.1 | 173.8 | -77.3 | -45.2 | 0 | 0 | 0 | 113.2 | D1773 S1777 A1778 I1779 | D1773-N1775 PolarHBondContact O-N 3.42Å; D1773-N1775 WeakPolarHBondContact OD1-CB 3.14Å; D1773-N1775 PolarHBondContact OD1-N 2.96Å; D1773-N1775 PolarHBondContact OD1-ND2 3.28Å; N1775-S1777 VanDerWaalsContact C-N 3.32Å; N1775-S1777 PolarHBondContact O-N 3.15Å; N1775-A1778 WeakPolarHBondContact O-CA 3.41Å; N1775-A1778 WeakPolarHBondContact O-CB 3.23Å; N1775-A1778 PolarHBondContact O-N 3.32Å; N1775-I1779 PolarHBondContact O-N 3.04Å |
| 1776 | E | 58.1 | Low | 61.1 | Low | 132 Ų | 132 | 102.2 Ų | 102.2 | 62% | 0.617 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -68.4 | -35.6 | -177.6 | -167.9 | 170.4 | -124.2 | 0 | 0 | 111.4 | D1773 P1774 A1778 I1779 Y1780 | D1773-E1776 PolarHBondContact O-N 3.44Å; P1774-E1776 VanDerWaalsContact C-N 3.32Å; P1774-E1776 PolarHBondContact O-N 2.76Å; E1776-A1778 VanDerWaalsContact C-N 3.27Å; E1776-A1778 PolarHBondContact O-N 2.86Å; E1776-I1779 PolarHBondContact O-N 2.91Å; E1776-Y1780 PolarHBondContact O-N 2.73Å |
| 1777 | S | 59.3 | Low | 63.7 | Low | 61 Ų | 61 | 98 Ų | 98 | 43% | 0.427 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -60.5 | -37.3 | 169.8 | 79.3 | 0 | 0 | 0 | 0 | 112.1 | P1774 N1775 Y1780 Y1781 | P1774-S1777 PolarHBondContact O-N 3.41Å; P1774-S1777 PolarHBondContact O-OG 2.74Å; N1775-S1777 VanDerWaalsContact C-N 3.32Å; N1775-S1777 PolarHBondContact O-N 3.15Å; S1777-Y1780 PolarHBondContact O-N 3.28Å; S1777-Y1781 WeakPolarHBondContact O-CD2 3.44Å; S1777-Y1781 PolarHBondContact O-N 3.43Å |
| 1778 | A | 66.9 | Low | 66.7 | Low | 48 Ų | 48 | 95.4 Ų | 95.4 | 40% | 0.397 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -69.2 | -37 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | P1774 N1775 E1776 Y1781 S1782 | P1774-A1778 PolarHBondContact O-N 3.36Å; N1775-A1778 WeakPolarHBondContact O-CA 3.41Å; N1775-A1778 WeakPolarHBondContact O-CB 3.23Å; N1775-A1778 PolarHBondContact O-N 3.32Å; E1776-A1778 VanDerWaalsContact C-N 3.27Å; E1776-A1778 PolarHBondContact O-N 2.86Å; A1778-Y1781 PolarHBondContact O-N 3.3Å; A1778-S1782 WeakPolarHBondContact O-CB 3.38Å; A1778-S1782 PolarHBondContact O-N 2.72Å; A1778-S1782 PolarHBondContact O-OG 3.14Å; A1778-S1782 VanDerWaalsContact O-OG 3.14Å |
| 1779 | I | 74.3 | Confident | 69 | Low | 105 Ų | 105 | 96.8 Ų | 96.8 | 54% | 0.538 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.6 | -46.1 | 172.6 | -65.1 | 168.6 | 0 | 0 | 0 | 110.6 | N1775 E1776 Y1781 S1782 L1783 | N1775-I1779 PolarHBondContact O-N 3.04Å; E1776-I1779 PolarHBondContact O-N 2.91Å; I1779-Y1781 PolarHBondContact O-N 2.92Å; I1779-S1782 PolarHBondContact O-N 3.4Å; I1779-L1783 HydrophobicContact CG2-CD1 4.04Å; I1779-L1783 WeakPolarHBondContact O-CG 3.45Å; I1779-L1783 PolarHBondContact O-N 2.9Å |
| 1780 | Y | 72.4 | Confident | 71.4 | Confident | 110 Ų | 110 | 98 Ų | 98 | 43% | 0.431 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.6 | -42.8 | 177.7 | -176.1 | -104.8 | 0 | 0 | 0 | 112.3 | E1776 S1777 L1783 M1784 | E1776-Y1780 PolarHBondContact O-N 2.73Å; S1777-Y1780 PolarHBondContact O-N 3.28Å; Y1780-L1783 PolarHBondContact O-N 2.98Å; Y1780-M1784 HydrophobicContact CD1-CE 4.31Å; Y1780-M1784 HydrophobicContact CE1-CE 3.47Å; Y1780-M1784 VanDerWaalsContact CE1-CE 3.47Å; Y1780-M1784 WeakPolarHBondContact O-CB 3.23Å; Y1780-M1784 PolarHBondContact O-N 2.84Å |
| 1781 | Y | 75.7 | Confident | 73.7 | Confident | 150 Ų | 150 | 94.9 Ų | 94.9 | 59% | 0.588 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65.2 | -39.6 | 173.9 | -76.8 | -56.5 | 0 | 0 | 0 | 112.7 | S1777 A1778 I1779 M1784 V1785 | S1777-Y1781 WeakPolarHBondContact O-CD2 3.44Å; S1777-Y1781 PolarHBondContact O-N 3.43Å; A1778-Y1781 PolarHBondContact O-N 3.3Å; I1779-Y1781 PolarHBondContact O-N 2.92Å; Y1781-M1784 PolarHBondContact O-N 2.96Å; Y1781-V1785 WeakPolarHBondContact O-CB 3.44Å; Y1781-V1785 VanDerWaalsContact O-CG2 3.3Å; Y1781-V1785 WeakPolarHBondContact O-CG2 3.44Å; Y1781-V1785 PolarHBondContact O-N 2.79Å |
| 1782 | S | 78.2 | Confident | 76 | Confident | 69 Ų | 69 | 94.1 Ų | 94.1 | 48% | 0.483 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.2 | -51.4 | 173.3 | -73.9 | 0 | 0 | 0 | 0 | 111.7 | A1778 I1779 M1784 V1785 D1786 | A1778-S1782 WeakPolarHBondContact O-CB 3.38Å; A1778-S1782 PolarHBondContact O-N 2.72Å; A1778-S1782 PolarHBondContact O-OG 3.14Å; A1778-S1782 VanDerWaalsContact O-OG 3.14Å; I1779-S1782 PolarHBondContact O-N 3.4Å; S1782-M1784 VanDerWaalsContact C-N 3.32Å; S1782-M1784 PolarHBondContact O-N 3.23Å; S1782-V1785 PolarHBondContact O-N 3.5Å; S1782-D1786 WeakPolarHBondContact O-CB 3.3Å; S1782-D1786 PolarHBondContact O-N 2.81Å |
| 1783 | L | 88.1 | Confident | 78.4 | Confident | 85 Ų | 85 | 93.2 Ų | 93.2 | 45% | 0.445 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -59.2 | -40.7 | 178 | -73.9 | 168.8 | 0 | 0 | 0 | 112.3 | I1779 Y1780 T1787 | I1779-L1783 HydrophobicContact CG2-CD1 4.04Å; I1779-L1783 WeakPolarHBondContact O-CG 3.45Å; I1779-L1783 PolarHBondContact O-N 2.9Å; Y1780-L1783 PolarHBondContact O-N 2.98Å; L1783-T1787 WeakPolarHBondContact O-CB 3.25Å; L1783-T1787 PolarHBondContact O-N 3.5Å; L1783-T1787 PolarHBondContact O-OG1 2.88Å |
| 1784 | M | 89.3 | Confident | 80.5 | Confident | 76 Ų | 76 | 91.4 Ų | 91.4 | 37% | 0.374 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -64.2 | -45.6 | 175.9 | -174.8 | -178.2 | -66.3 | 0 | 0 | 111.8 | Y1780 Y1781 S1782 T1787 I1788 | Y1780-M1784 HydrophobicContact CD1-CE 4.31Å; Y1780-M1784 HydrophobicContact CE1-CE 3.47Å; Y1780-M1784 VanDerWaalsContact CE1-CE 3.47Å; Y1780-M1784 WeakPolarHBondContact O-CB 3.23Å; Y1780-M1784 PolarHBondContact O-N 2.84Å; Y1781-M1784 PolarHBondContact O-N 2.96Å; S1782-M1784 VanDerWaalsContact C-N 3.32Å; S1782-M1784 PolarHBondContact O-N 3.23Å; M1784-T1787 PolarHBondContact O-N 3.37Å; M1784-I1788 HydrophobicContact CG-CD1 3.93Å; M1784-I1788 VanDerWaalsContact O-CG1 3.28Å; M1784-I1788 WeakPolarHBondContact O-CG1 3.42Å; M1784-I1788 PolarHBondContact O-N 3.2Å |
| 1785 | V | 86.7 | Confident | 82.4 | Confident | 80 Ų | 80 | 91.5 Ų | 91.5 | 49% | 0.485 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -65.9 | -40.7 | 178.5 | 171.2 | 0 | 0 | 0 | 0 | 111.4 | Y1781 S1782 I1788 R1789 | Y1781-V1785 WeakPolarHBondContact O-CB 3.44Å; Y1781-V1785 VanDerWaalsContact O-CG2 3.3Å; Y1781-V1785 WeakPolarHBondContact O-CG2 3.44Å; Y1781-V1785 PolarHBondContact O-N 2.79Å; S1782-V1785 PolarHBondContact O-N 3.5Å; V1785-I1788 PolarHBondContact O-N 2.8Å; V1785-R1789 WeakPolarHBondContact O-CB 3.18Å; V1785-R1789 PolarHBondContact O-N 3.33Å |
| 1786 | D | 88.1 | Confident | 84.1 | Confident | 71 Ų | 71 | 94.8 Ų | 94.8 | 38% | 0.38 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -64.5 | -40.5 | 174.9 | -71.5 | -25.6 | 0 | 0 | 0 | 111.8 | S1782 R1789 Y1790 | S1782-D1786 WeakPolarHBondContact O-CB 3.3Å; S1782-D1786 PolarHBondContact O-N 2.81Å; D1786-R1789 WeakPolarHBondContact O-CB 3.31Å; D1786-R1789 PolarHBondContact O-N 3.31Å; D1786-R1789 IonicContact OD1-CZ 3.37Å; D1786-R1789 IonicContact OD1-NH1 2.72Å; D1786-R1789 PolarHBondContact OD1-NH1 3.22Å; D1786-R1789 IonicContact OD1-NH2 2.8Å; D1786-R1789 PolarHBondContact OD1-NH2 3.48Å; D1786-Y1790 WeakPolarHBondContact O-CB 3.44Å; D1786-Y1790 PolarHBondContact O-N 2.79Å |
| 1787 | T | 90.8 | Very high | 85.6 | Confident | 65 Ų | 65 | 93.8 Ų | 93.8 | 40% | 0.399 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -64.3 | -43.9 | 175.9 | -56.9 | 0 | 0 | 0 | 0 | 111.8 | L1783 M1784 R1789 Y1790 L1791 | L1783-T1787 WeakPolarHBondContact O-CB 3.25Å; L1783-T1787 PolarHBondContact O-N 3.5Å; L1783-T1787 PolarHBondContact O-OG1 2.88Å; M1784-T1787 PolarHBondContact O-N 3.37Å; T1787-R1789 VanDerWaalsContact C-N 3.34Å; T1787-Y1790 PolarHBondContact O-N 2.9Å; T1787-L1791 WeakPolarHBondContact O-CB 3.48Å; T1787-L1791 PolarHBondContact O-N 2.97Å |
| 1788 | I | 93.5 | Very high | 87.2 | Confident | 104 Ų | 104 | 95.7 Ų | 95.7 | 53% | 0.533 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -64.4 | -39.2 | 175.2 | -68.5 | 165.8 | 0 | 0 | 0 | 110.9 | M1784 V1785 S1792 | M1784-I1788 HydrophobicContact CG-CD1 3.93Å; M1784-I1788 VanDerWaalsContact O-CG1 3.28Å; M1784-I1788 WeakPolarHBondContact O-CG1 3.42Å; M1784-I1788 PolarHBondContact O-N 3.2Å; V1785-I1788 PolarHBondContact O-N 2.8Å; I1788-S1792 WeakPolarHBondContact O-CB 3.15Å; I1788-S1792 PolarHBondContact O-N 2.73Å; I1788-S1792 PolarHBondContact O-OG 3.49Å |
| 1789 | R | 90.9 | Very high | 88.4 | Confident | 132 Ų | 132 | 96.8 Ų | 96.8 | 50% | 0.498 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.5 | -45.5 | 175.6 | -162.4 | -169.9 | -52 | 132.8 | 11.4 | 111.3 | V1785 D1786 T1787 S1792 I1793 | V1785-R1789 WeakPolarHBondContact O-CB 3.18Å; V1785-R1789 PolarHBondContact O-N 3.33Å; D1786-R1789 WeakPolarHBondContact O-CB 3.31Å; D1786-R1789 PolarHBondContact O-N 3.31Å; D1786-R1789 IonicContact OD1-CZ 3.37Å; D1786-R1789 IonicContact OD1-NH1 2.72Å; D1786-R1789 PolarHBondContact OD1-NH1 3.22Å; D1786-R1789 IonicContact OD1-NH2 2.8Å; D1786-R1789 PolarHBondContact OD1-NH2 3.48Å; T1787-R1789 VanDerWaalsContact C-N 3.34Å; R1789-S1792 WeakPolarHBondContact CA-OG 3.06Å; R1789-S1792 PolarHBondContact O-OG 2.83Å; R1789-S1792 VanDerWaalsContact O-OG 3.08Å; R1789-I1793 HydrophobicContact CG-CD1 4.23Å; R1789-I1793 WeakPolarHBondContact O-CD1 3.46Å; R1789-I1793 VanDerWaalsContact O-CG1 3.25Å; R1789-I1793 WeakPolarHBondContact O-CG1 3.42Å; R1789-I1793 PolarHBondContact O-N 3Å |
| 1790 | Y | 91.2 | Very high | 89.1 | Confident | 133 Ų | 133 | 96.1 Ų | 96.1 | 52% | 0.522 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -62.3 | -47.5 | 176.9 | 179 | -97.1 | 0 | 0 | 0 | 112.1 | D1786 T1787 I1793 K1794 | D1786-Y1790 WeakPolarHBondContact O-CB 3.44Å; D1786-Y1790 PolarHBondContact O-N 2.79Å; T1787-Y1790 PolarHBondContact O-N 2.9Å; Y1790-I1793 PolarHBondContact O-N 2.98Å; Y1790-K1794 HydrophobicContact CE1-CD 3.83Å; Y1790-K1794 PolarHBondContact O-N 2.81Å; Y1790-K1794 WeakPolarHBondContact OH-CE 3.16Å; Y1790-K1794 PolarHBondContact OH-NZ 3.05Å; Y1790-K1794 VanDerWaalsContact OH-NZ 3.08Å |
| 1791 | L | 95.2 | Very high | 90 | Very high | 85 Ų | 85 | 97.3 Ų | 97.3 | 45% | 0.445 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.1 | -43.7 | 178.8 | -179.4 | 59.9 | 0 | 0 | 0 | 112 | T1787 I1793 K1794 L1795 | T1787-L1791 WeakPolarHBondContact O-CB 3.48Å; T1787-L1791 PolarHBondContact O-N 2.97Å; L1791-I1793 PolarHBondContact O-N 2.79Å; L1791-K1794 PolarHBondContact O-N 2.81Å; L1791-L1795 HydrophobicContact CD1-CD1 4.25Å; L1791-L1795 HydrophobicContact CD1-CG 4.24Å; L1791-L1795 HydrophobicContact CG-CD1 4.01Å; L1791-L1795 HydrophobicContact CG-CG 4.44Å; L1791-L1795 WeakPolarHBondContact O-CB 3.24Å; L1791-L1795 WeakPolarHBondContact O-CG 3.34Å; L1791-L1795 PolarHBondContact O-N 3.21Å |
| 1792 | S | 91.9 | Very high | 90.7 | Very high | 61 Ų | 61 | 95.1 Ų | 95.1 | 43% | 0.427 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -67.9 | -32.1 | 178.6 | 52.4 | 0 | 0 | 0 | 0 | 113.5 | I1788 R1789 R1796 | I1788-S1792 WeakPolarHBondContact O-CB 3.15Å; I1788-S1792 PolarHBondContact O-N 2.73Å; I1788-S1792 PolarHBondContact O-OG 3.49Å; R1789-S1792 WeakPolarHBondContact CA-OG 3.06Å; R1789-S1792 PolarHBondContact O-OG 2.83Å; R1789-S1792 VanDerWaalsContact O-OG 3.08Å; S1792-R1796 WeakPolarHBondContact O-CB 3.32Å; S1792-R1796 PolarHBondContact O-N 2.92Å |
| 1793 | I | 93.8 | Very high | 90.9 | Very high | 89 Ų | 89 | 94.5 Ų | 94.5 | 46% | 0.456 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.5 | -47.5 | 169.5 | -69.9 | 164.9 | 0 | 0 | 0 | 110.7 | R1789 Y1790 L1791 R1796 Q1797 | R1789-I1793 HydrophobicContact CG-CD1 4.23Å; R1789-I1793 WeakPolarHBondContact O-CD1 3.46Å; R1789-I1793 VanDerWaalsContact O-CG1 3.25Å; R1789-I1793 WeakPolarHBondContact O-CG1 3.42Å; R1789-I1793 PolarHBondContact O-N 3Å; Y1790-I1793 PolarHBondContact O-N 2.98Å; L1791-I1793 PolarHBondContact O-N 2.79Å; I1793-R1796 PolarHBondContact O-N 3.36Å; I1793-Q1797 WeakPolarHBondContact O-CG 3.25Å; I1793-Q1797 PolarHBondContact O-N 3.5Å |
| 1794 | K | 95.1 | Very high | 90.2 | Very high | 52 Ų | 52 | 98.2 Ų | 98.2 | 23% | 0.226 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -60 | -46.3 | 176.3 | -94.1 | -171.7 | 166.3 | -179.5 | 0 | 112.5 | Y1790 L1791 R1796 Q1797 F1798 | Y1790-K1794 HydrophobicContact CE1-CD 3.83Å; Y1790-K1794 PolarHBondContact O-N 2.81Å; Y1790-K1794 WeakPolarHBondContact OH-CE 3.16Å; Y1790-K1794 PolarHBondContact OH-NZ 3.05Å; Y1790-K1794 VanDerWaalsContact OH-NZ 3.08Å; L1791-K1794 PolarHBondContact O-N 2.81Å; K1794-R1796 VanDerWaalsContact C-N 3.29Å; K1794-R1796 PolarHBondContact O-N 2.8Å; K1794-Q1797 PolarHBondContact O-N 3.42Å; K1794-F1798 HydrophobicContact CB-CE2 4.34Å; K1794-F1798 WeakPolarHBondContact O-CD2 3.16Å; K1794-F1798 PolarHBondContact O-N 3.12Å |
| 1795 | L | 94.7 | Very high | 89.5 | Confident | 105 Ų | 105 | 99.1 Ų | 99.1 | 55% | 0.55 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.5 | -37.3 | 178.1 | -72.3 | 171.5 | 0 | 0 | 0 | 112.1 | L1791 F1798 S1799 | L1791-L1795 HydrophobicContact CD1-CD1 4.25Å; L1791-L1795 HydrophobicContact CD1-CG 4.24Å; L1791-L1795 HydrophobicContact CG-CD1 4.01Å; L1791-L1795 HydrophobicContact CG-CG 4.44Å; L1791-L1795 WeakPolarHBondContact O-CB 3.24Å; L1791-L1795 WeakPolarHBondContact O-CG 3.34Å; L1791-L1795 PolarHBondContact O-N 3.21Å; L1795-F1798 PolarHBondContact O-N 2.58Å; L1795-S1799 WeakPolarHBondContact O-CB 3.47Å; L1795-S1799 PolarHBondContact O-N 3.31Å |
| 1796 | R | 91.6 | Very high | 89.1 | Confident | 178 Ų | 178 | 100.5 Ų | 100.5 | 67% | 0.672 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -63.4 | -51.1 | 171.7 | -176 | 165.4 | -65.9 | 161.5 | 2.1 | 111.4 | S1792 I1793 K1794 F1798 S1799 D1800 | S1792-R1796 WeakPolarHBondContact O-CB 3.32Å; S1792-R1796 PolarHBondContact O-N 2.92Å; I1793-R1796 PolarHBondContact O-N 3.36Å; K1794-R1796 VanDerWaalsContact C-N 3.29Å; K1794-R1796 PolarHBondContact O-N 2.8Å; R1796-F1798 VanDerWaalsContact C-N 3.25Å; R1796-F1798 PolarHBondContact O-N 2.91Å; R1796-S1799 CarbonylContact O-C 3.31Å; R1796-S1799 WeakPolarHBondContact O-CA 3.33Å; R1796-S1799 WeakPolarHBondContact O-CB 3.32Å; R1796-S1799 PolarHBondContact O-N 3.46Å; R1796-D1800 WeakPolarHBondContact CG-OD2 3.27Å; R1796-D1800 PolarHBondContact O-N 3.16Å |
| 1797 | Q | 90.1 | Very high | 88.3 | Confident | 111 Ų | 111 | 99.8 Ų | 99.8 | 52% | 0.519 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -57.1 | -34.8 | 176.9 | -71 | 177.1 | -14.8 | 0 | 0 | 113.6 | I1793 K1794 K1801 | I1793-Q1797 WeakPolarHBondContact O-CG 3.25Å; I1793-Q1797 PolarHBondContact O-N 3.5Å; K1794-Q1797 PolarHBondContact O-N 3.42Å; Q1797-K1801 WeakPolarHBondContact O-CB 3.3Å; Q1797-K1801 WeakPolarHBondContact O-CG 3.37Å; Q1797-K1801 PolarHBondContact O-N 2.98Å; Q1797-K1801 VanDerWaalsContact O-N 3.13Å |
| 1798 | F | 93.9 | Very high | 86.8 | Confident | 100 Ų | 100 | 102.3 Ų | 102.3 | 44% | 0.439 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -72 | -41.2 | 172.7 | -71.8 | -58.1 | 0 | 0 | 0 | 112.5 | K1794 L1795 R1796 K1801 L1802 L1859 | K1794-F1798 HydrophobicContact CB-CE2 4.34Å; K1794-F1798 WeakPolarHBondContact O-CD2 3.16Å; K1794-F1798 PolarHBondContact O-N 3.12Å; L1795-F1798 PolarHBondContact O-N 2.58Å; R1796-F1798 VanDerWaalsContact C-N 3.25Å; R1796-F1798 PolarHBondContact O-N 2.91Å; F1798-K1801 PolarHBondContact O-N 2.59Å; F1798-L1802 WeakPolarHBondContact O-CB 3.49Å; F1798-L1802 PolarHBondContact O-N 2.8Å; F1798-L1859 HydrophobicContact CZ-CD1 4.17Å |
| 1799 | S | 90.5 | Very high | 84.8 | Confident | 72 Ų | 72 | 102.3 Ų | 102.3 | 50% | 0.503 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.8 | -44.9 | 173.7 | -171 | 0 | 0 | 0 | 0 | 111.7 | L1795 R1796 L1802 A1803 | L1795-S1799 WeakPolarHBondContact O-CB 3.47Å; L1795-S1799 PolarHBondContact O-N 3.31Å; R1796-S1799 CarbonylContact O-C 3.31Å; R1796-S1799 WeakPolarHBondContact O-CA 3.33Å; R1796-S1799 WeakPolarHBondContact O-CB 3.32Å; R1796-S1799 PolarHBondContact O-N 3.46Å; S1799-L1802 PolarHBondContact O-N 3.22Å; S1799-A1803 WeakPolarHBondContact O-CB 3.39Å; S1799-A1803 PolarHBondContact O-N 3.36Å |
| 1800 | D | 89.7 | Confident | 82.9 | Confident | 91 Ų | 91 | 101.5 Ų | 101.5 | 49% | 0.487 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67 | -41.2 | -179.2 | -56.1 | -25.2 | 0 | 0 | 0 | 110.8 | R1796 A1803 Y1804 | R1796-D1800 WeakPolarHBondContact CG-OD2 3.27Å; R1796-D1800 PolarHBondContact O-N 3.16Å; D1800-A1803 PolarHBondContact O-N 3.17Å; D1800-Y1804 WeakPolarHBondContact O-CB 3.42Å; D1800-Y1804 PolarHBondContact O-N 3.49Å |
| 1801 | K | 91.5 | Very high | 80.8 | Confident | 135 Ų | 135 | 102.2 Ų | 102.2 | 59% | 0.587 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -65.7 | -34.7 | 173.1 | -78 | -178.6 | 176.5 | -174.9 | 0 | 113.1 | Q1797 F1798 R1805 | Q1797-K1801 WeakPolarHBondContact O-CB 3.3Å; Q1797-K1801 WeakPolarHBondContact O-CG 3.37Å; Q1797-K1801 PolarHBondContact O-N 2.98Å; Q1797-K1801 VanDerWaalsContact O-N 3.13Å; F1798-K1801 PolarHBondContact O-N 2.59Å; K1801-R1805 WeakPolarHBondContact O-CG 3.27Å; K1801-R1805 PolarHBondContact O-N 3.29Å; K1801-R1805 VanDerWaalsContact O-N 3.1Å |
| 1802 | L | 89.9 | Confident | 78.2 | Confident | 104 Ų | 104 | 103.7 Ų | 103.7 | 55% | 0.545 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -70.5 | -43.9 | 175.2 | -178.7 | 61.2 | 0 | 0 | 0 | 111.2 | F1798 S1799 Y1804 R1805 L1806 | F1798-L1802 WeakPolarHBondContact O-CB 3.49Å; F1798-L1802 PolarHBondContact O-N 2.8Å; S1799-L1802 PolarHBondContact O-N 3.22Å; L1802-Y1804 VanDerWaalsContact C-N 3.34Å; L1802-Y1804 PolarHBondContact O-N 2.75Å; L1802-R1805 PolarHBondContact O-N 3.46Å; L1802-L1806 HydrophobicContact CG-CD1 4.25Å; L1802-L1806 WeakPolarHBondContact O-CG 3.41Å; L1802-L1806 PolarHBondContact O-N 3.14Å |
| 1803 | A | 82.2 | Confident | 75.6 | Confident | 55 Ų | 55 | 104 Ų | 104 | 46% | 0.455 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60 | -43.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | S1799 D1800 R1805 L1806 S1807 | S1799-A1803 WeakPolarHBondContact O-CB 3.39Å; S1799-A1803 PolarHBondContact O-N 3.36Å; D1800-A1803 PolarHBondContact O-N 3.17Å; A1803-R1805 PolarHBondContact O-N 3.09Å; A1803-L1806 PolarHBondContact O-N 3.19Å; A1803-S1807 PolarHBondContact O-N 2.68Å; A1803-S1807 PolarHBondContact O-OG 3.29Å |
| 1804 | Y | 75 | Confident | 72.7 | Confident | 164 Ų | 164 | 107.2 Ų | 107.2 | 64% | 0.643 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -59.2 | -46.7 | 175.2 | -168 | -93.4 | 0 | 0 | 0 | 111.7 | D1800 L1802 L1806 S1807 Y1808 | D1800-Y1804 WeakPolarHBondContact O-CB 3.42Å; D1800-Y1804 PolarHBondContact O-N 3.49Å; L1802-Y1804 VanDerWaalsContact C-N 3.34Å; L1802-Y1804 PolarHBondContact O-N 2.75Å; Y1804-L1806 PolarHBondContact O-N 2.79Å; Y1804-S1807 PolarHBondContact O-N 2.66Å; Y1804-S1807 PolarHBondContact O-OG 2.89Å; Y1804-Y1808 WeakPolarHBondContact O-CB 3.3Å; Y1804-Y1808 PolarHBondContact O-N 2.85Å |
| 1805 | R | 73.7 | Confident | 69.7 | Low | 94 Ų | 94 | 109.1 Ų | 109.1 | 36% | 0.355 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -59.2 | -44 | 174.5 | -79.1 | 179.6 | 167.6 | -149.4 | -5.6 | 113.1 | K1801 L1802 A1803 Y1808 N1809 F1867 | K1801-R1805 WeakPolarHBondContact O-CG 3.27Å; K1801-R1805 PolarHBondContact O-N 3.29Å; K1801-R1805 VanDerWaalsContact O-N 3.1Å; L1802-R1805 PolarHBondContact O-N 3.46Å; A1803-R1805 PolarHBondContact O-N 3.09Å; R1805-Y1808 PolarHBondContact O-N 2.77Å; R1805-N1809 WeakPolarHBondContact O-CB 3.44Å; R1805-N1809 VanDerWaalsContact O-CG 3.24Å; R1805-N1809 PolarHBondContact O-N 3.07Å; R1805-N1809 PolarHBondContact O-OD1 3.46Å; R1805-F1867 VanDerWaalsContact NH2-CZ 3.29Å |
| 1806 | L | 77.3 | Confident | 66.6 | Low | 110 Ų | 110 | 109 Ų | 109 | 58% | 0.576 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -63.2 | -44 | 177.4 | -71 | 168.3 | 0 | 0 | 0 | 111.3 | L1802 A1803 Y1804 Y1808 Q1810 | L1802-L1806 HydrophobicContact CG-CD1 4.25Å; L1802-L1806 WeakPolarHBondContact O-CG 3.41Å; L1802-L1806 PolarHBondContact O-N 3.14Å; A1803-L1806 PolarHBondContact O-N 3.19Å; Y1804-L1806 PolarHBondContact O-N 2.79Å; L1806-Y1808 PolarHBondContact O-N 3.28Å; L1806-Q1810 WeakPolarHBondContact O-CB 3.39Å; L1806-Q1810 PolarHBondContact O-N 3.16Å |
| 1807 | S | 73.1 | Confident | 63.4 | Low | 55 Ų | 55 | 104.5 Ų | 104.5 | 39% | 0.385 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -65.6 | -35.9 | 176.6 | 69.4 | 0 | 0 | 0 | 0 | 113.4 | A1803 Y1804 Q1811 | A1803-S1807 PolarHBondContact O-N 2.68Å; A1803-S1807 PolarHBondContact O-OG 3.29Å; Y1804-S1807 PolarHBondContact O-N 2.66Å; Y1804-S1807 PolarHBondContact O-OG 2.89Å; S1807-Q1811 PolarHBondContact O-N 2.87Å |
| 1808 | Y | 58 | Low | 60.5 | Low | 118 Ų | 118 | 104.1 Ų | 104.1 | 46% | 0.463 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -70.9 | -45.9 | 178.2 | -170.3 | -96.2 | 0 | 0 | 0 | 111.6 | Y1804 R1805 L1806 Q1810 Q1811 Q1812 | Y1804-Y1808 WeakPolarHBondContact O-CB 3.3Å; Y1804-Y1808 PolarHBondContact O-N 2.85Å; R1805-Y1808 PolarHBondContact O-N 2.77Å; L1806-Y1808 PolarHBondContact O-N 3.28Å; Y1808-Q1810 VanDerWaalsContact C-N 3.27Å; Y1808-Q1810 PolarHBondContact O-N 2.85Å; Y1808-Q1811 PolarHBondContact O-N 2.97Å; Y1808-Q1811 VanDerWaalsContact O-N 3.08Å; Y1808-Q1812 PolarHBondContact O-N 2.89Å; Y1808-Q1812 PolarHBondContact OH-NE2 2.76Å |
| 1809 | N | 52.8 | Low | 57.2 | Low | 104 Ų | 104 | 107 Ų | 107 | 56% | 0.556 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -62.5 | -35.3 | 176.2 | -69.2 | 9.3 | 0 | 0 | 0 | 111.6 | R1805 Q1811 Q1812 A1813 | R1805-N1809 WeakPolarHBondContact O-CB 3.44Å; R1805-N1809 VanDerWaalsContact O-CG 3.24Å; R1805-N1809 PolarHBondContact O-N 3.07Å; R1805-N1809 PolarHBondContact O-OD1 3.46Å; N1809-Q1811 VanDerWaalsContact C-N 3.25Å; N1809-Q1811 PolarHBondContact O-N 3.05Å; N1809-Q1812 PolarHBondContact O-N 3.45Å; N1809-A1813 PolarHBondContact O-N 2.58Å |
| 1810 | Q | 50.5 | Low | 54.2 | Low | 115 Ų | 115 | 109.5 Ų | 109.5 | 54% | 0.537 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -68.9 | -20.9 | 176.4 | -165.3 | 165.1 | 34.8 | 0 | 0 | 113.3 | Y1621 L1806 Y1808 | Y1621-Q1810 PolarHBondContact OH-NE2 3.39Å; L1806-Q1810 WeakPolarHBondContact O-CB 3.39Å; L1806-Q1810 PolarHBondContact O-N 3.16Å; Y1808-Q1810 VanDerWaalsContact C-N 3.27Å; Y1808-Q1810 PolarHBondContact O-N 2.85Å |
| 1811 | Q | 47 | Very low | 51.2 | Low | 149 Ų | 149 | 112 Ų | 112 | 70% | 0.696 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -81.4 | -26.5 | 173.4 | -71.2 | 179.1 | 12.8 | 0 | 0 | 113.3 | S1807 Y1808 N1809 | S1807-Q1811 PolarHBondContact O-N 2.87Å; Y1808-Q1811 PolarHBondContact O-N 2.97Å; Y1808-Q1811 VanDerWaalsContact O-N 3.08Å; N1809-Q1811 VanDerWaalsContact C-N 3.25Å; N1809-Q1811 PolarHBondContact O-N 3.05Å |
| 1812 | Q | 40.2 | Very low | 48.2 | Very low | 116 Ų | 116 | 113.7 Ų | 113.7 | 54% | 0.542 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -82.9 | -20.4 | 174.4 | -66.7 | -167.5 | -2.3 | 0 | 0 | 113.6 | Y1808 N1809 N1814 A1815 | Y1808-Q1812 PolarHBondContact O-N 2.89Å; Y1808-Q1812 PolarHBondContact OH-NE2 2.76Å; N1809-Q1812 PolarHBondContact O-N 3.45Å; Q1812-N1814 PolarHBondContact O-N 3.45Å; Q1812-A1815 PolarHBondContact O-N 3.36Å |
| 1813 | A | 37.1 | Very low | 45.3 | Very low | 67 Ų | 67 | 115.7 Ų | 115.7 | 55% | 0.554 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.4 | -18.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | N1809 | N1809-A1813 PolarHBondContact O-N 2.58Š|
| 1814 | N | 33.3 | Very low | 42.6 | Very low | 156 Ų | 156 | 118.8 Ų | 118.8 | 83% | 0.834 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.8 | 4.1 | -178.9 | -71.2 | -3.5 | 0 | 0 | 0 | 114.4 | Q1812 | Q1812-N1814 PolarHBondContact O-N 3.45Š|
| 1815 | A | 32.5 | Very low | 40.2 | Very low | 93 Ų | 93 | 116.1 Ų | 116.1 | 77% | 0.769 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -124.5 | -5.4 | -171.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | Q1812 | Q1812-A1815 PolarHBondContact O-N 3.36Š|
| 1816 | S | 28.6 | Very low | 37.9 | Very low | 101 Ų | 101 | 122 Ų | 122 | 71% | 0.706 | 70% | 0.699 | S | S | * | * | | | trans | -150 | 117.4 | 176.5 | -166.8 | 0 | 0 | 0 | 0 | 111.9 | | |
| 1817 | G | 25.2 | Very low | 35.5 | Very low | 85 Ų | 85 | 127.5 Ų | 127.5 | 88% | 0.876 | 71% | 0.714 | S | S | * | * | | | trans | -100.4 | 107.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 1818 | S | 28.1 | Very low | 33.2 | Very low | 102 Ų | 102 | 129.5 Ų | 129.5 | 71% | 0.713 | 72% | 0.724 | S | S | * | * | | | trans | -150.3 | 138.1 | 164.4 | -171.4 | 0 | 0 | 0 | 0 | 110 | | |
| 1819 | N | 24.6 | Very low | 31.8 | Very low | 161 Ų | 161 | 129.1 Ų | 129.1 | 86% | 0.861 | 74% | 0.739 | S | S | * | * | | | trans | -100 | 122.3 | 179.5 | -63.4 | -59.7 | 0 | 0 | 0 | 110.1 | | |
| 1820 | T | 28.4 | Very low | 30.5 | Very low | 125 Ų | 125 | 130.3 Ų | 130.3 | 77% | 0.767 | 74% | 0.743 | S | S | * | * | | | trans | -153.4 | 120.3 | 156.1 | 2.2 | 0 | 0 | 0 | 0 | 111.2 | E1822 | T1820-E1822 PolarHBondContact O-N 3.21Š|
| 1821 | T | 25.7 | Very low | 29.3 | Very low | 144 Ų | 144 | 134 Ų | 134 | 88% | 0.883 | 76% | 0.761 | S | S | * | * | | | trans | -97.6 | 84.3 | -176.2 | -55.9 | 0 | 0 | 0 | 0 | 110.5 | | |
| 1822 | E | 30.2 | Very low | 28.2 | Very low | 170 Ų | 170 | 134.9 Ų | 134.9 | 79% | 0.794 | 77% | 0.765 | S | S | * | * | | | trans | -106.3 | 98 | 176.3 | -66 | -139.6 | 132.2 | 0 | 0 | 113.6 | T1820 | T1820-E1822 PolarHBondContact O-N 3.21Š|
| 1823 | L | 28.6 | Very low | 27.7 | Very low | 145 Ų | 145 | 135.6 Ų | 135.6 | 76% | 0.759 | 77% | 0.773 | S | S | * | * | | | trans | 48.4 | 81.8 | 135.5 | -58.1 | 178 | 0 | 0 | 0 | 118.2 | S1825 | L1823-S1825 PolarHBondContact O-N 2.87Š|
| 1824 | S | 25 | Very low | 27 | Very low | 120 Ų | 120 | 142.8 Ų | 142.8 | 84% | 0.839 | 79% | 0.785 | S | S | * | * | | | trans | -58.6 | 98.1 | 152.3 | -178.3 | 0 | 0 | 0 | 0 | 110.5 | R1826 | S1824-R1826 PolarHBondContact O-N 3.3Š|
| 1825 | S | 24.6 | Very low | 26.8 | Very low | 108 Ų | 108 | 141.1 Ų | 141.1 | 76% | 0.755 | 78% | 0.776 | S | S | * | * | | | trans | -81.1 | 114.2 | 179.1 | 45.2 | 0 | 0 | 0 | 0 | 110.7 | L1823 Y1827 | L1823-S1825 PolarHBondContact O-N 2.87Å; S1825-Y1827 PolarHBondContact O-N 2.95Å |
| 1826 | R | 26.1 | Very low | 26.7 | Very low | 217 Ų | 217 | 145 Ų | 145 | 82% | 0.819 | 78% | 0.784 | S | S | * | * | | | trans | -75.2 | 105 | -173.6 | -69.3 | 173.8 | -70.7 | -160.2 | -5.7 | 111.9 | S1824 V1828 | S1824-R1826 PolarHBondContact O-N 3.3Å; R1826-V1828 HydrophobicContact CB-CG2 4.22Å; R1826-V1828 PolarHBondContact O-N 2.75Å |
| 1827 | Y | 25.4 | Very low | 26.9 | Very low | 226 Ų | 226 | 145.5 Ų | 145.5 | 89% | 0.886 | 78% | 0.783 | S | S | * | * | | | trans | -85 | 99.8 | 156.1 | -102.2 | -83.4 | 0 | 0 | 0 | 110.4 | S1825 | S1825-Y1827 PolarHBondContact O-N 2.95Š|
| 1828 | V | 26 | Very low | 27.4 | Very low | 98 Ų | 98 | 149.7 Ų | 149.7 | 59% | 0.594 | 78% | 0.78 | S | S | * | * | | | trans | -111.9 | 91.2 | 174.7 | 175.6 | 0 | 0 | 0 | 0 | 108.3 | R1826 I1830 | R1826-V1828 HydrophobicContact CB-CG2 4.22Å; R1826-V1828 PolarHBondContact O-N 2.75Å; V1828-I1830 HydrophobicContact CG1-CB 4.44Å; V1828-I1830 HydrophobicContact CG1-CD1 3.58Å; V1828-I1830 HydrophobicContact CG1-CG1 3.63Å; V1828-I1830 PolarHBondContact O-N 3.19Å |
| 1829 | S | 27.1 | Very low | 27.7 | Very low | 110 Ų | 110 | 150.8 Ų | 150.8 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | | | trans | -89.8 | 76.2 | 165.3 | 50.8 | 0 | 0 | 0 | 0 | 109.4 | Q1831 | S1829-Q1831 PolarHBondContact O-N 2.75Š|
| 1830 | I | 25.5 | Very low | 28.6 | Very low | 128 Ų | 128 | 145.7 Ų | 145.7 | 66% | 0.656 | 76% | 0.764 | S | S | * | * | | | trans | -76.2 | 115.9 | 161.1 | -69.2 | 162.6 | 0 | 0 | 0 | 106.6 | V1828 Q1832 | V1828-I1830 HydrophobicContact CG1-CB 4.44Å; V1828-I1830 HydrophobicContact CG1-CD1 3.58Å; V1828-I1830 HydrophobicContact CG1-CG1 3.63Å; V1828-I1830 PolarHBondContact O-N 3.19Å; I1830-Q1832 HydrophobicContact CG2-CG 4.08Å |
| 1831 | Q | 26.9 | Very low | 29.7 | Very low | 192 Ų | 192 | 144.1 Ų | 144.1 | 90% | 0.897 | 75% | 0.754 | S | S | * | * | | | trans | -123.6 | 95.4 | 157.9 | -155.2 | 162.9 | 16.5 | 0 | 0 | 108.3 | S1829 | S1829-Q1831 PolarHBondContact O-N 2.75Š|
| 1832 | Q | 23.4 | Very low | 30.9 | Very low | 168 Ų | 168 | 144 Ų | 144 | 79% | 0.785 | 74% | 0.742 | S | S | * | * | | | trans | -69.9 | 137.2 | 158.3 | -64.8 | 173.5 | -2.4 | 0 | 0 | 106.8 | I1830 | I1830-Q1832 HydrophobicContact CG2-CG 4.08Š|
| 1833 | N | 28.7 | Very low | 31.8 | Very low | 132 Ų | 132 | 143.4 Ų | 143.4 | 71% | 0.706 | 73% | 0.733 | S | S | * | * | | | trans | -125.5 | 141.3 | 143.1 | -165.5 | 19.1 | 0 | 0 | 0 | 109.2 | D1835 | N1833-D1835 PolarHBondContact ND2-OD2 2.94Š|
| 1834 | R | 23.9 | Very low | 33.7 | Very low | 218 Ų | 218 | 139.4 Ų | 139.4 | 82% | 0.823 | 72% | 0.721 | S | S | * | * | | | trans | -110.2 | 113.1 | 167.8 | -78.5 | -174 | 176 | -162.6 | 3.1 | 106.4 | | |
| 1835 | D | 29 | Very low | 35.9 | Very low | 120 Ų | 120 | 137.3 Ų | 137.3 | 64% | 0.642 | 70% | 0.7 | S | S | * | * | | | trans | -134.5 | 135.6 | 160.7 | -81.7 | -59.8 | 0 | 0 | 0 | 108.4 | N1833 V1837 | N1833-D1835 PolarHBondContact ND2-OD2 2.94Å; D1835-V1837 PolarHBondContact O-N 3.35Å |
| 1836 | D | 29.4 | Very low | 38.1 | Very low | 176 Ų | 176 | 137.9 Ų | 137.9 | 94% | 0.941 | 69% | 0.69 | S | S | * | * | | | trans | -76.1 | 64.4 | -174 | -79.9 | -62.7 | 0 | 0 | 0 | 112.1 | Q1838 | D1836-Q1838 PolarHBondContact O-N 3.23Š|
| 1837 | V | 33.5 | Very low | 40.5 | Very low | 110 Ų | 110 | 132.3 Ų | 132.3 | 67% | 0.667 | 68% | 0.677 | S | S | * | * | | | trans | -80 | 112.8 | 173.8 | -175.1 | 0 | 0 | 0 | 0 | 109.6 | D1835 | D1835-V1837 PolarHBondContact O-N 3.35Š|
| 1838 | Q | 34.5 | Very low | 43.1 | Very low | 174 Ų | 174 | 125 Ų | 125 | 81% | 0.813 | 66% | 0.656 | S | S | * | * | | | trans | -33.2 | 140.3 | 176.1 | -60.2 | 175 | -4.1 | 0 | 0 | 113.8 | D1836 S1840 | D1836-Q1838 PolarHBondContact O-N 3.23Å; Q1838-S1840 PolarHBondContact O-N 2.88Å |
| 1839 | S | 36.1 | Very low | 45.5 | Very low | 125 Ų | 125 | 126.5 Ų | 126.5 | 87% | 0.874 | 66% | 0.655 | S | S | * | * | | | trans | -69.3 | 60 | -172.5 | 65.8 | 0 | 0 | 0 | 0 | 115.1 | | |
| 1840 | S | 41.9 | Very low | 48.1 | Very low | 54 Ų | 54 | 125.3 Ų | 125.3 | 38% | 0.378 | 64% | 0.637 | S | S | . | * | | | trans | -87.6 | 102.4 | 164.5 | 178.5 | 0 | 0 | 0 | 0 | 108.1 | Q1838 K1842 Y1843 | Q1838-S1840 PolarHBondContact O-N 2.88Å; S1840-K1842 PolarHBondContact O-N 3.08Å; S1840-Y1843 PolarHBondContact O-N 3.42Å |
| 1841 | T | 52.2 | Low | 51.1 | Low | 91 Ų | 91 | 123.4 Ų | 123.4 | 56% | 0.558 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -52.3 | -24.1 | -179.4 | -45 | 0 | 0 | 0 | 0 | 112.7 | L1845 | T1841-L1845 HydrophobicContact CG2-CD1 3.9Å; T1841-L1845 HydrophobicContact CG2-CG 4.16Å; T1841-L1845 WeakPolarHBondContact O-CB 3.48Å; T1841-L1845 VanDerWaalsContact O-CG 3.29Å; T1841-L1845 WeakPolarHBondContact O-CG 3.37Å; T1841-L1845 PolarHBondContact O-N 2.96Å; T1841-L1845 VanDerWaalsContact O-N 3.08Å |
| 1842 | K | 50.1 | Low | 53.8 | Low | 142 Ų | 142 | 118.3 Ų | 118.3 | 62% | 0.617 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -55.9 | -45.9 | 174.5 | -170.3 | 176.1 | -177.6 | 176.5 | 0 | 113.6 | S1840 H1846 | S1840-K1842 PolarHBondContact O-N 3.08Å; K1842-H1846 PolarHBondContact O-N 2.73Å |
| 1843 | Y | 50.5 | Low | 56.9 | Low | 157 Ų | 157 | 115.4 Ų | 115.4 | 62% | 0.616 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -75 | -46.8 | -177.7 | -72.7 | -65.4 | 0 | 0 | 0 | 111.7 | S1840 L1845 H1846 D1847 | S1840-Y1843 PolarHBondContact O-N 3.42Å; Y1843-L1845 VanDerWaalsContact C-N 3.26Å; Y1843-L1845 PolarHBondContact O-N 2.92Å; Y1843-H1846 PolarHBondContact O-N 2.93Å; Y1843-D1847 PolarHBondContact O-N 3.45Å |
| 1844 | A | 68.1 | Low | 59.6 | Low | 61 Ų | 61 | 111.3 Ų | 111.3 | 50% | 0.504 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -58 | -37.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | T1848 | A1844-T1848 WeakPolarHBondContact O-CB 3.29Å; A1844-T1848 PolarHBondContact O-N 3.18Å; A1844-T1848 PolarHBondContact O-OG1 3.09Å |
| 1845 | L | 70.6 | Confident | 62.7 | Low | 76 Ų | 76 | 104.7 Ų | 104.7 | 40% | 0.398 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -72 | -35.6 | 174.9 | -72.5 | 176.5 | 0 | 0 | 0 | 113.3 | T1841 Y1843 F1849 | T1841-L1845 HydrophobicContact CG2-CD1 3.9Å; T1841-L1845 HydrophobicContact CG2-CG 4.16Å; T1841-L1845 WeakPolarHBondContact O-CB 3.48Å; T1841-L1845 VanDerWaalsContact O-CG 3.29Å; T1841-L1845 WeakPolarHBondContact O-CG 3.37Å; T1841-L1845 PolarHBondContact O-N 2.96Å; T1841-L1845 VanDerWaalsContact O-N 3.08Å; Y1843-L1845 VanDerWaalsContact C-N 3.26Å; Y1843-L1845 PolarHBondContact O-N 2.92Å; L1845-F1849 PolarHBondContact O-N 3.01Å; L1845-F1849 VanDerWaalsContact O-N 3.07Å |
| 1846 | H | 71.1 | Confident | 65.3 | Low | 120 Ų | 120 | 102.4 Ų | 102.4 | 56% | 0.556 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -66.7 | -45.5 | 176 | -175.6 | 45.6 | 0 | 0 | 0 | 111.4 | K1842 Y1843 T1848 F1849 E1850 | K1842-H1846 PolarHBondContact O-N 2.73Å; Y1843-H1846 PolarHBondContact O-N 2.93Å; H1846-T1848 PolarHBondContact O-N 2.66Å; H1846-F1849 WeakPolarHBondContact O-CA 3.1Å; H1846-F1849 WeakPolarHBondContact O-CB 2.89Å; H1846-F1849 PolarHBondContact O-N 2.96Å; H1846-E1850 PolarHBondContact O-N 3.44Å; H1846-E1850 VanDerWaalsContact O-N 3.08Å |
| 1847 | D | 76.5 | Confident | 67.9 | Low | 101 Ų | 101 | 99.9 Ų | 99.9 | 54% | 0.54 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.2 | -39.3 | 176.6 | -167.6 | 65.5 | 0 | 0 | 0 | 111.8 | Y1843 F1849 E1850 N1851 | Y1843-D1847 PolarHBondContact O-N 3.45Å; D1847-F1849 VanDerWaalsContact C-N 3.25Å; D1847-F1849 PolarHBondContact O-N 3.12Å; D1847-E1850 PolarHBondContact O-N 2.77Å; D1847-N1851 WeakPolarHBondContact O-CB 3.49Å; D1847-N1851 PolarHBondContact O-N 2.84Å; D1847-N1851 PolarHBondContact O-ND2 2.61Å; D1847-N1851 PolarHBondContact OD2-ND2 3.47Å |
| 1848 | T | 80.8 | Confident | 70.3 | Confident | 72 Ų | 72 | 100.8 Ų | 100.8 | 44% | 0.442 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -59.4 | -35.9 | 170.6 | -59.3 | 0 | 0 | 0 | 0 | 112.1 | A1844 H1846 M1852 | A1844-T1848 WeakPolarHBondContact O-CB 3.29Å; A1844-T1848 PolarHBondContact O-N 3.18Å; A1844-T1848 PolarHBondContact O-OG1 3.09Å; H1846-T1848 PolarHBondContact O-N 2.66Å; T1848-M1852 WeakPolarHBondContact O-CG 3.21Å; T1848-M1852 PolarHBondContact O-N 3.39Å |
| 1849 | F | 76.4 | Confident | 72.6 | Confident | 129 Ų | 129 | 96.2 Ų | 96.2 | 57% | 0.566 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -70.6 | -44.9 | 179.7 | -113.8 | -86.2 | 0 | 0 | 0 | 112.7 | L1845 H1846 D1847 M1852 K1853 | L1845-F1849 PolarHBondContact O-N 3.01Å; L1845-F1849 VanDerWaalsContact O-N 3.07Å; H1846-F1849 WeakPolarHBondContact O-CA 3.1Å; H1846-F1849 WeakPolarHBondContact O-CB 2.89Å; H1846-F1849 PolarHBondContact O-N 2.96Å; D1847-F1849 VanDerWaalsContact C-N 3.25Å; D1847-F1849 PolarHBondContact O-N 3.12Å; F1849-M1852 HydrophobicContact CD2-CE 4.38Å; F1849-M1852 HydrophobicContact CG-CE 4.39Å; F1849-M1852 PolarHBondContact O-N 2.99Å; F1849-K1853 WeakPolarHBondContact O-CB 3.44Å; F1849-K1853 PolarHBondContact O-N 3.16Å; F1849-K1853 VanDerWaalsContact O-N 3.07Å |
| 1850 | E | 82 | Confident | 74.5 | Confident | 85 Ų | 85 | 96.2 Ų | 96.2 | 40% | 0.397 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -69.6 | -37.3 | 176.4 | -73.5 | -64 | 135.9 | 0 | 0 | 111.7 | H1846 D1847 M1852 K1853 A1854 | H1846-E1850 PolarHBondContact O-N 3.44Å; H1846-E1850 VanDerWaalsContact O-N 3.08Å; D1847-E1850 PolarHBondContact O-N 2.77Å; E1850-M1852 PolarHBondContact O-N 2.84Å; E1850-K1853 WeakPolarHBondContact O-CB 3.09Å; E1850-K1853 PolarHBondContact O-N 3.11Å; E1850-K1853 VanDerWaalsContact O-N 3.13Å; E1850-K1853 WeakPolarHBondContact OE1-CD 3.43Å; E1850-K1853 IonicContact OE1-NZ 2.64Å; E1850-K1853 PolarHBondContact OE1-NZ 3.24Å; E1850-K1853 WeakPolarHBondContact OE2-CD 3.49Å; E1850-K1853 WeakPolarHBondContact OE2-CE 3.2Å; E1850-K1853 IonicContact OE2-NZ 2.83Å; E1850-K1853 PolarHBondContact OE2-NZ 2.96Å; E1850-A1854 PolarHBondContact O-N 3.43Å |
| 1851 | N | 87.5 | Confident | 76.2 | Confident | 89 Ų | 89 | 98.4 Ų | 98.4 | 48% | 0.476 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.1 | -43.6 | 171.4 | -81.1 | -64.6 | 0 | 0 | 0 | 112.4 | D1847 K1853 A1854 V1855 | D1847-N1851 WeakPolarHBondContact O-CB 3.49Å; D1847-N1851 PolarHBondContact O-N 2.84Å; D1847-N1851 PolarHBondContact O-ND2 2.61Å; D1847-N1851 PolarHBondContact OD2-ND2 3.47Å; N1851-K1853 VanDerWaalsContact C-N 3.28Å; N1851-K1853 PolarHBondContact O-N 2.95Å; N1851-A1854 PolarHBondContact O-N 3.06Å; N1851-V1855 WeakPolarHBondContact O-CG2 3.25Å; N1851-V1855 PolarHBondContact O-N 3.47Å |
| 1852 | M | 84.6 | Confident | 77.3 | Confident | 85 Ų | 85 | 97.6 Ų | 97.6 | 42% | 0.419 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.7 | -36.6 | 172.7 | -80.9 | -164.5 | -64.2 | 0 | 0 | 112.7 | T1848 F1849 E1850 N1856 | T1848-M1852 WeakPolarHBondContact O-CG 3.21Å; T1848-M1852 PolarHBondContact O-N 3.39Å; F1849-M1852 HydrophobicContact CD2-CE 4.38Å; F1849-M1852 HydrophobicContact CG-CE 4.39Å; F1849-M1852 PolarHBondContact O-N 2.99Å; E1850-M1852 PolarHBondContact O-N 2.84Å; M1852-N1856 VanDerWaalsContact O-CB 3.26Å; M1852-N1856 WeakPolarHBondContact O-CB 3.13Å; M1852-N1856 PolarHBondContact O-N 2.84Å |
| 1853 | K | 88.2 | Confident | 78.2 | Confident | 106 Ų | 106 | 91.8 Ų | 91.8 | 46% | 0.461 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -69.6 | -41.5 | 179.1 | 175.4 | 179.1 | 158.1 | -144.2 | 0 | 111.8 | F1849 E1850 N1851 N1856 Q1857 | F1849-K1853 WeakPolarHBondContact O-CB 3.44Å; F1849-K1853 PolarHBondContact O-N 3.16Å; F1849-K1853 VanDerWaalsContact O-N 3.07Å; E1850-K1853 WeakPolarHBondContact O-CB 3.09Å; E1850-K1853 PolarHBondContact O-N 3.11Å; E1850-K1853 VanDerWaalsContact O-N 3.13Å; E1850-K1853 WeakPolarHBondContact OE1-CD 3.43Å; E1850-K1853 IonicContact OE1-NZ 2.64Å; E1850-K1853 PolarHBondContact OE1-NZ 3.24Å; E1850-K1853 WeakPolarHBondContact OE2-CD 3.49Å; E1850-K1853 WeakPolarHBondContact OE2-CE 3.2Å; E1850-K1853 IonicContact OE2-NZ 2.83Å; E1850-K1853 PolarHBondContact OE2-NZ 2.96Å; N1851-K1853 VanDerWaalsContact C-N 3.28Å; N1851-K1853 PolarHBondContact O-N 2.95Å; K1853-N1856 PolarHBondContact O-N 2.83Å; K1853-Q1857 PolarHBondContact O-N 3.44Å |
| 1854 | A | 84.8 | Confident | 79.3 | Confident | 46 Ų | 46 | 91.7 Ų | 91.7 | 38% | 0.38 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.3 | -47.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | E1850 N1851 N1856 Q1857 Q1858 | E1850-A1854 PolarHBondContact O-N 3.43Å; N1851-A1854 PolarHBondContact O-N 3.06Å; A1854-N1856 VanDerWaalsContact C-N 3.29Å; A1854-N1856 PolarHBondContact O-N 2.99Å; A1854-Q1857 PolarHBondContact O-N 3.33Å; A1854-Q1857 VanDerWaalsContact O-N 3.13Å; A1854-Q1858 PolarHBondContact O-N 3.1Å |
| 1855 | V | 88.4 | Confident | 79 | Confident | 79 Ų | 79 | 95.8 Ų | 95.8 | 48% | 0.479 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.7 | -39.2 | 174.9 | 171.1 | 0 | 0 | 0 | 0 | 111.5 | N1851 Q1857 Q1858 L1859 | N1851-V1855 WeakPolarHBondContact O-CG2 3.25Å; N1851-V1855 PolarHBondContact O-N 3.47Å; V1855-Q1857 VanDerWaalsContact C-N 3.35Å; V1855-Q1857 PolarHBondContact O-N 3.49Å; V1855-Q1858 PolarHBondContact O-N 3.11Å; V1855-L1859 HydrophobicContact CG1-CD1 4.06Å; V1855-L1859 WeakPolarHBondContact O-CB 3.24Å; V1855-L1859 WeakPolarHBondContact O-CG 3.45Å; V1855-L1859 PolarHBondContact O-N 2.81Å |
| 1856 | N | 85.3 | Confident | 78.5 | Confident | 72 Ų | 72 | 96.6 Ų | 96.6 | 39% | 0.385 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -68.6 | -30.1 | 177.7 | -166.9 | 56.6 | 0 | 0 | 0 | 112.7 | M1852 K1853 A1854 Q1860 | M1852-N1856 VanDerWaalsContact O-CB 3.26Å; M1852-N1856 WeakPolarHBondContact O-CB 3.13Å; M1852-N1856 PolarHBondContact O-N 2.84Å; K1853-N1856 PolarHBondContact O-N 2.83Å; A1854-N1856 VanDerWaalsContact C-N 3.29Å; A1854-N1856 PolarHBondContact O-N 2.99Å; N1856-Q1860 PolarHBondContact O-N 2.85Å |
| 1857 | Q | 82.3 | Confident | 77.6 | Confident | 123 Ų | 123 | 97.1 Ų | 97.1 | 58% | 0.575 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -71.4 | -44.5 | 169.9 | -75.2 | -175.7 | -13.4 | 0 | 0 | 112.2 | K1853 A1854 V1855 L1859 Q1860 V1861 | K1853-Q1857 PolarHBondContact O-N 3.44Å; A1854-Q1857 PolarHBondContact O-N 3.33Å; A1854-Q1857 VanDerWaalsContact O-N 3.13Å; V1855-Q1857 VanDerWaalsContact C-N 3.35Å; V1855-Q1857 PolarHBondContact O-N 3.49Å; Q1857-L1859 VanDerWaalsContact C-N 3.28Å; Q1857-L1859 PolarHBondContact O-N 3.2Å; Q1857-Q1860 WeakPolarHBondContact O-CA 3.33Å; Q1857-Q1860 WeakPolarHBondContact O-CB 3.44Å; Q1857-Q1860 PolarHBondContact O-N 3.02Å; Q1857-V1861 PolarHBondContact O-N 2.83Å |
| 1858 | Q | 84.7 | Confident | 76.1 | Confident | 129 Ų | 129 | 95.7 Ų | 95.7 | 60% | 0.603 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -58.1 | -41.3 | 174.1 | -73.1 | -177.9 | -17.9 | 0 | 0 | 111.5 | A1854 V1855 Q1860 V1861 V1862 | A1854-Q1858 PolarHBondContact O-N 3.1Å; V1855-Q1858 PolarHBondContact O-N 3.11Å; Q1858-Q1860 VanDerWaalsContact C-N 3.29Å; Q1858-Q1860 PolarHBondContact O-N 3.31Å; Q1858-V1861 PolarHBondContact O-N 2.74Å; Q1858-V1861 VanDerWaalsContact O-N 3.15Å; Q1858-V1862 WeakPolarHBondContact O-CB 3.07Å; Q1858-V1862 WeakPolarHBondContact O-CG2 3Å; Q1858-V1862 PolarHBondContact O-N 3.47Å |
| 1859 | L | 83.3 | Confident | 74.1 | Confident | 78 Ų | 78 | 100 Ų | 100 | 41% | 0.408 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.4 | -27.6 | 174.2 | -73.6 | 169.9 | 0 | 0 | 0 | 113.6 | F1798 V1855 Q1857 G1863 | F1798-L1859 HydrophobicContact CZ-CD1 4.17Å; V1855-L1859 HydrophobicContact CG1-CD1 4.06Å; V1855-L1859 WeakPolarHBondContact O-CB 3.24Å; V1855-L1859 WeakPolarHBondContact O-CG 3.45Å; V1855-L1859 PolarHBondContact O-N 2.81Å; Q1857-L1859 VanDerWaalsContact C-N 3.28Å; Q1857-L1859 PolarHBondContact O-N 3.2Å; L1859-G1863 WeakPolarHBondContact O-CA 3.48Å; L1859-G1863 PolarHBondContact O-N 3.39Å |
| 1860 | Q | 75.5 | Confident | 72.4 | Confident | 126 Ų | 126 | 101.3 Ų | 101.3 | 59% | 0.589 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -72.2 | -39.6 | 169.7 | -78.7 | -169.7 | -11 | 0 | 0 | 112.5 | N1856 Q1857 Q1858 G1863 K1864 | N1856-Q1860 PolarHBondContact O-N 2.85Å; Q1857-Q1860 WeakPolarHBondContact O-CA 3.33Å; Q1857-Q1860 WeakPolarHBondContact O-CB 3.44Å; Q1857-Q1860 PolarHBondContact O-N 3.02Å; Q1858-Q1860 VanDerWaalsContact C-N 3.29Å; Q1858-Q1860 PolarHBondContact O-N 3.31Å; Q1860-G1863 PolarHBondContact O-N 3.18Å; Q1860-K1864 WeakPolarHBondContact O-CG 3.35Å; Q1860-K1864 PolarHBondContact O-N 3.45Å |
| 1861 | V | 77.4 | Confident | 70.1 | Confident | 99 Ų | 99 | 102 Ų | 102 | 60% | 0.6 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -66.2 | -48.9 | 176.5 | 177.9 | 0 | 0 | 0 | 0 | 110.5 | Q1857 Q1858 G1863 K1864 L1865 | Q1857-V1861 PolarHBondContact O-N 2.83Å; Q1858-V1861 PolarHBondContact O-N 2.74Å; Q1858-V1861 VanDerWaalsContact O-N 3.15Å; V1861-G1863 PolarHBondContact O-N 2.97Å; V1861-K1864 PolarHBondContact O-N 3.34Å; V1861-K1864 VanDerWaalsContact O-N 3.11Å; V1861-L1865 PolarHBondContact O-N 2.79Å |
| 1862 | V | 75.8 | Confident | 67.7 | Low | 74 Ų | 74 | 103.9 Ų | 103.9 | 45% | 0.448 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -59.3 | -36.1 | 172.9 | 170 | 0 | 0 | 0 | 0 | 111.1 | Q1858 L1865 L1866 | Q1858-V1862 WeakPolarHBondContact O-CB 3.07Å; Q1858-V1862 WeakPolarHBondContact O-CG2 3Å; Q1858-V1862 PolarHBondContact O-N 3.47Å; V1862-L1865 PolarHBondContact O-N 2.8Å; V1862-L1866 HydrophobicContact CG1-CD1 3.56Å; V1862-L1866 HydrophobicContact CG1-CG 4.37Å; V1862-L1866 VanDerWaalsContact O-CB 3.28Å; V1862-L1866 WeakPolarHBondContact O-CB 3.03Å; V1862-L1866 VanDerWaalsContact O-CG 3.31Å; V1862-L1866 WeakPolarHBondContact O-CG 3.49Å; V1862-L1866 PolarHBondContact O-N 3.45Å |
| 1863 | G | 69.4 | Low | 65.1 | Low | 20 Ų | 20 | 107.2 Ų | 107.2 | 21% | 0.206 | 56% | 0.558 | C | S | . | * | H | α-helix | trans | -62.5 | -47.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | L1859 Q1860 V1861 L1865 L1866 F1867 | L1859-G1863 WeakPolarHBondContact O-CA 3.48Å; L1859-G1863 PolarHBondContact O-N 3.39Å; Q1860-G1863 PolarHBondContact O-N 3.18Å; V1861-G1863 PolarHBondContact O-N 2.97Å; G1863-L1865 VanDerWaalsContact C-N 3.32Å; G1863-L1865 PolarHBondContact O-N 3.36Å; G1863-L1866 PolarHBondContact O-N 3.06Å; G1863-F1867 WeakPolarHBondContact O-CB 3.41Å; G1863-F1867 VanDerWaalsContact O-CD2 3.31Å; G1863-F1867 WeakPolarHBondContact O-CD2 3.43Å; G1863-F1867 PolarHBondContact O-N 3.03Å |
| 1864 | K | 72 | Confident | 62.5 | Low | 155 Ų | 155 | 109.8 Ų | 109.8 | 67% | 0.674 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -61.7 | -39.7 | 175 | -73.8 | 178.7 | 178.1 | -177.6 | 0 | 111.6 | Q1860 V1861 S1868 | Q1860-K1864 WeakPolarHBondContact O-CG 3.35Å; Q1860-K1864 PolarHBondContact O-N 3.45Å; V1861-K1864 PolarHBondContact O-N 3.34Å; V1861-K1864 VanDerWaalsContact O-N 3.11Å; K1864-S1868 PolarHBondContact O-N 3.01Å; K1864-S1868 VanDerWaalsContact O-N 3.14Å; K1864-S1868 PolarHBondContact O-OG 2.77Å; K1864-S1868 VanDerWaalsContact O-OG 3.13Å |
| 1865 | L | 63.5 | Low | 59.8 | Low | 147 Ų | 147 | 113.4 Ų | 113.4 | 77% | 0.77 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -67.6 | -39.8 | 178.7 | -148.2 | 78.2 | 0 | 0 | 0 | 112.5 | V1861 V1862 G1863 | V1861-L1865 PolarHBondContact O-N 2.79Å; V1862-L1865 PolarHBondContact O-N 2.8Å; G1863-L1865 VanDerWaalsContact C-N 3.32Å; G1863-L1865 PolarHBondContact O-N 3.36Å |
| 1866 | L | 60.3 | Low | 57.1 | Low | 93 Ų | 93 | 116.8 Ų | 116.8 | 49% | 0.487 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -91.3 | -8.7 | -176.3 | -70.2 | 170.9 | 0 | 0 | 0 | 115.2 | V1862 G1863 | V1862-L1866 HydrophobicContact CG1-CD1 3.56Å; V1862-L1866 HydrophobicContact CG1-CG 4.37Å; V1862-L1866 VanDerWaalsContact O-CB 3.28Å; V1862-L1866 WeakPolarHBondContact O-CB 3.03Å; V1862-L1866 VanDerWaalsContact O-CG 3.31Å; V1862-L1866 WeakPolarHBondContact O-CG 3.49Å; V1862-L1866 PolarHBondContact O-N 3.45Å; G1863-L1866 PolarHBondContact O-N 3.06Å |
| 1867 | F | 52 | Low | 54.4 | Low | 132 Ų | 132 | 121.9 Ų | 121.9 | 58% | 0.579 | 63% | 0.63 | S | S | * | * | | | trans | -131.7 | 20.7 | -179.3 | -58.7 | -69.5 | 0 | 0 | 0 | 113.1 | R1805 G1863 K1869 | R1805-F1867 VanDerWaalsContact NH2-CZ 3.29Å; G1863-F1867 WeakPolarHBondContact O-CB 3.41Å; G1863-F1867 VanDerWaalsContact O-CD2 3.31Å; G1863-F1867 WeakPolarHBondContact O-CD2 3.43Å; G1863-F1867 PolarHBondContact O-N 3.03Å; F1867-K1869 VanDerWaalsContact C-N 3.32Å; F1867-K1869 PolarHBondContact O-N 3.23Å |
| 1868 | S | 44.4 | Very low | 51.9 | Low | 70 Ų | 70 | 123.5 Ų | 123.5 | 49% | 0.49 | 64% | 0.642 | S | S | . | * | | | trans | -61.4 | 99 | 154.9 | -82.3 | 0 | 0 | 0 | 0 | 108.1 | K1864 N1870 | K1864-S1868 PolarHBondContact O-N 3.01Å; K1864-S1868 VanDerWaalsContact O-N 3.14Å; K1864-S1868 PolarHBondContact O-OG 2.77Å; K1864-S1868 VanDerWaalsContact O-OG 3.13Å; S1868-N1870 PolarHBondContact O-N 3.24Å |
| 1869 | K | 39.6 | Very low | 49.3 | Very low | 163 Ų | 163 | 124.3 Ų | 124.3 | 71% | 0.709 | 65% | 0.65 | S | S | * | * | | | trans | -78.1 | 69.4 | -173.4 | -166.8 | -156.9 | 174.1 | -160.4 | 0 | 110.7 | F1867 N1871 | F1867-K1869 VanDerWaalsContact C-N 3.32Å; F1867-K1869 PolarHBondContact O-N 3.23Å; K1869-N1871 HydrophobicContact CG-CB 4.25Å; K1869-N1871 PolarHBondContact O-N 3.04Å |
| 1870 | N | 40.8 | Very low | 46.6 | Very low | 156 Ų | 156 | 129.2 Ų | 129.2 | 83% | 0.834 | 67% | 0.671 | S | S | * | * | | | trans | -75.3 | 73 | 168.8 | -71.8 | 22.7 | 0 | 0 | 0 | 108.9 | S1868 | S1868-N1870 PolarHBondContact O-N 3.24Š|
| 1871 | N | 32.6 | Very low | 44.4 | Very low | 100 Ų | 100 | 130 Ų | 130 | 54% | 0.535 | 68% | 0.678 | S | S | . | * | | | trans | -97.1 | 147.9 | 169.8 | -114.5 | 84.2 | 0 | 0 | 0 | 108.7 | K1869 | K1869-N1871 HydrophobicContact CG-CB 4.25Å; K1869-N1871 PolarHBondContact O-N 3.04Å |
| 1872 | D | 36.8 | Very low | 42.1 | Very low | 128 Ų | 128 | 132 Ų | 132 | 68% | 0.684 | 69% | 0.685 | S | S | * | * | S | Bend | trans | 81.5 | 121.8 | 161.7 | -39.2 | -30.7 | 0 | 0 | 0 | 115.7 | | |
| 1873 | N | 30.9 | Very low | 40.1 | Very low | 155 Ų | 155 | 135.2 Ų | 135.2 | 83% | 0.829 | 70% | 0.7 | S | S | * | * | | | trans | 73.6 | 61.4 | 165.3 | -56.6 | -15.7 | 0 | 0 | 0 | 120.9 | | |
| 1874 | I | 31.9 | Very low | 38.3 | Very low | 160 Ų | 160 | 137.7 Ų | 137.7 | 82% | 0.821 | 72% | 0.718 | S | S | * | * | | | trans | -135.2 | 89.8 | 145.6 | -50.7 | 178.5 | 0 | 0 | 0 | 110.1 | | |
| 1875 | T | 29.5 | Very low | 37 | Very low | 123 Ų | 123 | 135.6 Ų | 135.6 | 76% | 0.755 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -132.6 | -7 | 172.1 | 40.7 | 0 | 0 | 0 | 0 | 114.5 | | |
| 1876 | N | 32.1 | Very low | 36.2 | Very low | 149 Ų | 149 | 131.4 Ų | 131.4 | 80% | 0.797 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -114.9 | -3.9 | -170.4 | -73.3 | 6.1 | 0 | 0 | 0 | 115.6 | | |
| 1877 | E | 28.4 | Very low | 35.6 | Very low | 180 Ų | 180 | 130.8 Ų | 130.8 | 84% | 0.841 | 70% | 0.704 | S | S | * | * | | | trans | -115.5 | 32.6 | -179.9 | -65 | -162.8 | 154.4 | 0 | 0 | 113.6 | N1879 | E1877-N1879 VanDerWaalsContact C-N 3.3Š|
| 1878 | L | 28.9 | Very low | 35.7 | Very low | 156 Ų | 156 | 129.8 Ų | 129.8 | 82% | 0.817 | 70% | 0.701 | S | S | * | * | | | trans | -90.3 | 12.5 | 172.5 | -113.5 | 169 | 0 | 0 | 0 | 113.6 | | |
| 1879 | N | 29.8 | Very low | 35.7 | Very low | 147 Ų | 147 | 134.3 Ų | 134.3 | 79% | 0.786 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -127.8 | 35.5 | -171.5 | -83.6 | -34.6 | 0 | 0 | 0 | 113.8 | E1877 | E1877-N1879 VanDerWaalsContact C-N 3.3Š|
| 1880 | Q | 27 | Very low | 36.8 | Very low | 180 Ų | 180 | 131.7 Ų | 131.7 | 84% | 0.841 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -164.3 | 146.3 | 155.9 | -119.4 | 147.1 | 111.8 | 0 | 0 | 114.2 | | |
| 1881 | I | 28.6 | Very low | 37.9 | Very low | 144 Ų | 144 | 130.4 Ų | 130.4 | 74% | 0.738 | 69% | 0.691 | S | S | * | * | | | trans | 68.4 | 79.8 | 170.5 | -48.1 | 176.3 | 0 | 0 | 0 | 115 | | |
| 1882 | D | 31 | Very low | 39.6 | Very low | 141 Ų | 141 | 131.3 Ų | 131.3 | 75% | 0.754 | 69% | 0.69 | S | S | * | * | | | trans | -56.9 | 160.5 | 147 | -67.8 | -71.6 | 0 | 0 | 0 | 112 | | |
| 1883 | N | 32.4 | Very low | 40.9 | Very low | 141 Ų | 141 | 128.8 Ų | 128.8 | 75% | 0.754 | 68% | 0.676 | S | S | * | * | S | Bend | trans | 66.4 | 41.7 | 156.5 | -59 | -38.5 | 0 | 0 | 0 | 118.6 | | |
| 1884 | A | 31.7 | Very low | 42.8 | Very low | 72 Ų | 72 | 126.5 Ų | 126.5 | 60% | 0.595 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -105.7 | -39 | 161.5 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 1885 | T | 45.5 | Very low | 44.5 | Very low | 111 Ų | 111 | 124.1 Ų | 124.1 | 68% | 0.681 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -106.9 | -14.6 | -163.5 | -23.7 | 0 | 0 | 0 | 0 | 115.5 | C1887 E1888 | T1885-C1887 PolarHBondContact O-N 2.65Å; T1885-E1888 PolarHBondContact O-N 2.91Å |
| 1886 | S | 45.4 | Very low | 46.5 | Very low | 59 Ų | 59 | 124.1 Ų | 124.1 | 41% | 0.413 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -62.2 | -33.5 | 174.2 | 52.3 | 0 | 0 | 0 | 0 | 111.9 | E1888 Y1889 L1890 | S1886-E1888 PolarHBondContact O-N 2.7Å; S1886-Y1889 PolarHBondContact O-N 3.35Å; S1886-L1890 WeakPolarHBondContact O-CB 3.36Å; S1886-L1890 WeakPolarHBondContact O-CG 3.44Å; S1886-L1890 PolarHBondContact O-N 2.97Å |
| 1887 | C | 48.2 | Very low | 47.7 | Very low | 80 Ų | 80 | 120.6 Ų | 120.6 | 54% | 0.541 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -65.1 | -33.4 | 177.3 | -65.5 | 0 | 0 | 0 | 0 | 113.5 | T1885 H1891 | T1885-C1887 PolarHBondContact O-N 2.65Å; C1887-H1891 WeakPolarHBondContact O-CA 3.43Å; C1887-H1891 WeakPolarHBondContact O-CB 3.23Å; C1887-H1891 PolarHBondContact O-N 3.22Å |
| 1888 | E | 53.7 | Low | 49.5 | Very low | 110 Ų | 110 | 116.7 Ų | 116.7 | 51% | 0.514 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -66.5 | -41.9 | 177.2 | -91.6 | -127.9 | 179.8 | 0 | 0 | 112.3 | T1885 S1886 K1892 | T1885-E1888 PolarHBondContact O-N 2.91Å; S1886-E1888 PolarHBondContact O-N 2.7Å; E1888-K1892 WeakPolarHBondContact O-CB 3.23Å; E1888-K1892 WeakPolarHBondContact O-CG 3.17Å; E1888-K1892 PolarHBondContact O-N 2.7Å; E1888-K1892 IonicContact OE2-NZ 2.64Å; E1888-K1892 PolarHBondContact OE2-NZ 2.69Å |
| 1889 | Y | 45.2 | Very low | 50.9 | Low | 166 Ų | 166 | 114.6 Ų | 114.6 | 65% | 0.651 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -71.4 | -43 | 178.5 | -173.2 | -107.5 | 0 | 0 | 0 | 111.5 | S1886 K1892 L1893 | S1886-Y1889 PolarHBondContact O-N 3.35Å; Y1889-K1892 PolarHBondContact O-N 2.97Å; Y1889-L1893 HydrophobicContact CD1-CD1 4.01Å; Y1889-L1893 HydrophobicContact CD2-CD1 4.34Å; Y1889-L1893 HydrophobicContact CE1-CD1 3.54Å; Y1889-L1893 HydrophobicContact CE2-CD1 3.9Å; Y1889-L1893 HydrophobicContact CG-CD1 4.39Å; Y1889-L1893 VanDerWaalsContact CZ-CD1 3.48Å; Y1889-L1893 PolarHBondContact O-N 3.44Å |
| 1890 | L | 62.7 | Low | 52.1 | Low | 108 Ų | 108 | 112.4 Ų | 112.4 | 57% | 0.565 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -65.3 | -40.4 | 175.1 | -73 | 173.2 | 0 | 0 | 0 | 112.2 | S1886 K1892 L1893 E1894 | S1886-L1890 WeakPolarHBondContact O-CB 3.36Å; S1886-L1890 WeakPolarHBondContact O-CG 3.44Å; S1886-L1890 PolarHBondContact O-N 2.97Å; L1890-K1892 PolarHBondContact O-N 3.23Å; L1890-L1893 PolarHBondContact O-N 2.79Å; L1890-E1894 WeakPolarHBondContact O-CB 3.25Å; L1890-E1894 PolarHBondContact O-N 3.12Å |
| 1891 | H | 63.2 | Low | 53 | Low | 128 Ų | 128 | 113.3 Ų | 113.3 | 59% | 0.593 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -70.3 | -30.4 | 177.5 | -164.9 | -38.2 | 0 | 0 | 0 | 111.7 | C1887 Q1895 | C1887-H1891 WeakPolarHBondContact O-CA 3.43Å; C1887-H1891 WeakPolarHBondContact O-CB 3.23Å; C1887-H1891 PolarHBondContact O-N 3.22Å; H1891-Q1895 WeakPolarHBondContact O-CB 3.35Å; H1891-Q1895 PolarHBondContact O-N 2.77Å |
| 1892 | K | 68.8 | Low | 53.5 | Low | 120 Ų | 120 | 115 Ų | 115 | 52% | 0.522 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -69.2 | -40.4 | 168.8 | -80.5 | 165.9 | 176.9 | 150.1 | 0 | 112.1 | E1888 Y1889 L1890 F1896 | E1888-K1892 WeakPolarHBondContact O-CB 3.23Å; E1888-K1892 WeakPolarHBondContact O-CG 3.17Å; E1888-K1892 PolarHBondContact O-N 2.7Å; E1888-K1892 IonicContact OE2-NZ 2.64Å; E1888-K1892 PolarHBondContact OE2-NZ 2.69Å; Y1889-K1892 PolarHBondContact O-N 2.97Å; L1890-K1892 PolarHBondContact O-N 3.23Å; K1892-F1896 WeakPolarHBondContact O-CB 3.46Å; K1892-F1896 PolarHBondContact O-N 2.81Å |
| 1893 | L | 63.3 | Low | 53.5 | Low | 74 Ų | 74 | 116.5 Ų | 116.5 | 39% | 0.387 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -65.5 | -40.4 | 172.3 | -105.6 | 87.8 | 0 | 0 | 0 | 112.5 | Y1889 L1890 F1896 N1897 | Y1889-L1893 HydrophobicContact CD1-CD1 4.01Å; Y1889-L1893 HydrophobicContact CD2-CD1 4.34Å; Y1889-L1893 HydrophobicContact CE1-CD1 3.54Å; Y1889-L1893 HydrophobicContact CE2-CD1 3.9Å; Y1889-L1893 HydrophobicContact CG-CD1 4.39Å; Y1889-L1893 VanDerWaalsContact CZ-CD1 3.48Å; Y1889-L1893 PolarHBondContact O-N 3.44Å; L1890-L1893 PolarHBondContact O-N 2.79Å; L1893-F1896 PolarHBondContact O-N 2.8Å; L1893-N1897 WeakPolarHBondContact O-CB 3.11Å; L1893-N1897 PolarHBondContact O-N 3.29Å; L1893-N1897 PolarHBondContact O-ND2 2.9Å |
| 1894 | E | 72.8 | Confident | 53.8 | Low | 107 Ų | 107 | 116.6 Ų | 116.6 | 50% | 0.5 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -69.7 | -41 | 178.3 | -170.5 | 177.5 | 172.5 | 0 | 0 | 110.9 | L1890 F1896 N1897 Q1898 | L1890-E1894 WeakPolarHBondContact O-CB 3.25Å; L1890-E1894 PolarHBondContact O-N 3.12Å; E1894-F1896 VanDerWaalsContact C-N 3.34Å; E1894-F1896 PolarHBondContact O-N 3.19Å; E1894-N1897 PolarHBondContact O-N 2.78Å; E1894-Q1898 HydrophobicContact CG-CG 4.3Å; E1894-Q1898 WeakPolarHBondContact O-CB 3.26Å; E1894-Q1898 WeakPolarHBondContact O-CG 3.42Å; E1894-Q1898 PolarHBondContact O-N 3.07Å; E1894-Q1898 PolarHBondContact OE1-NE2 2.75Å |
| 1895 | Q | 66.1 | Low | 53.8 | Low | 110 Ų | 110 | 118.3 Ų | 118.3 | 51% | 0.514 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -57.9 | -46 | 172 | -176.9 | 171.4 | 22 | 0 | 0 | 111.2 | H1891 Q1898 E1899 | H1891-Q1895 WeakPolarHBondContact O-CB 3.35Å; H1891-Q1895 PolarHBondContact O-N 2.77Å; Q1895-Q1898 PolarHBondContact O-N 2.89Å; Q1895-E1899 PolarHBondContact O-N 3.3Å |
| 1896 | F | 71.1 | Confident | 53 | Low | 123 Ų | 123 | 121 Ų | 121 | 54% | 0.539 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -63.3 | -42.8 | 175.6 | -172.4 | -104.4 | 0 | 0 | 0 | 112.6 | K1892 L1893 E1894 E1899 L1900 | K1892-F1896 WeakPolarHBondContact O-CB 3.46Å; K1892-F1896 PolarHBondContact O-N 2.81Å; L1893-F1896 PolarHBondContact O-N 2.8Å; E1894-F1896 VanDerWaalsContact C-N 3.34Å; E1894-F1896 PolarHBondContact O-N 3.19Å; F1896-E1899 PolarHBondContact O-N 2.99Å; F1896-L1900 HydrophobicContact CD1-CD1 4.06Å; F1896-L1900 HydrophobicContact CE1-CD1 3.77Å; F1896-L1900 HydrophobicContact CE1-CG 4.4Å; F1896-L1900 HydrophobicContact CZ-CD1 4.46Å; F1896-L1900 WeakPolarHBondContact O-CG 3.27Å; F1896-L1900 PolarHBondContact O-N 3.34Å |
| 1897 | N | 58.6 | Low | 52.2 | Low | 75 Ų | 75 | 126.4 Ų | 126.4 | 40% | 0.401 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -65.3 | -39 | 174.2 | -78.2 | -36.4 | 0 | 0 | 0 | 112.2 | L1893 E1894 E1899 L1900 Y1901 | L1893-N1897 WeakPolarHBondContact O-CB 3.11Å; L1893-N1897 PolarHBondContact O-N 3.29Å; L1893-N1897 PolarHBondContact O-ND2 2.9Å; E1894-N1897 PolarHBondContact O-N 2.78Å; N1897-E1899 VanDerWaalsContact C-N 3.31Å; N1897-E1899 PolarHBondContact O-N 3.26Å; N1897-L1900 PolarHBondContact O-N 3.31Å; N1897-Y1901 WeakPolarHBondContact O-CD2 3.35Å; N1897-Y1901 PolarHBondContact O-N 2.85Å |
| 1898 | Q | 65.5 | Low | 51.4 | Low | 99 Ų | 99 | 128.1 Ų | 128.1 | 46% | 0.463 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -70.2 | -24.3 | 175.2 | -73.5 | -170.5 | 29.3 | 0 | 0 | 112.7 | E1894 Q1895 R1902 | E1894-Q1898 HydrophobicContact CG-CG 4.3Å; E1894-Q1898 WeakPolarHBondContact O-CB 3.26Å; E1894-Q1898 WeakPolarHBondContact O-CG 3.42Å; E1894-Q1898 PolarHBondContact O-N 3.07Å; E1894-Q1898 PolarHBondContact OE1-NE2 2.75Å; Q1895-Q1898 PolarHBondContact O-N 2.89Å; Q1898-R1902 WeakPolarHBondContact O-CB 3Å; Q1898-R1902 PolarHBondContact O-N 2.85Å |
| 1899 | E | 59.5 | Low | 50 | Low | 112 Ų | 112 | 127.6 Ų | 127.6 | 52% | 0.523 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -72.8 | -42.5 | 166.9 | -76.5 | -173.1 | 128.8 | 0 | 0 | 111.5 | Q1895 F1896 N1897 Y1901 R1902 F1903 | Q1895-E1899 PolarHBondContact O-N 3.3Å; F1896-E1899 PolarHBondContact O-N 2.99Å; N1897-E1899 VanDerWaalsContact C-N 3.31Å; N1897-E1899 PolarHBondContact O-N 3.26Å; E1899-Y1901 PolarHBondContact O-N 2.82Å; E1899-R1902 VanDerWaalsContact O-CB 3.28Å; E1899-R1902 WeakPolarHBondContact O-CB 3.41Å; E1899-R1902 PolarHBondContact O-N 3.09Å; E1899-R1902 VanDerWaalsContact O-N 3.08Å; E1899-F1903 WeakPolarHBondContact O-CD2 3.16Å |
| 1900 | L | 53.3 | Low | 49.2 | Very low | 101 Ų | 101 | 127.4 Ų | 127.4 | 53% | 0.529 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -61 | -42.9 | 173.9 | -69.3 | 174.6 | 0 | 0 | 0 | 112.3 | F1896 N1897 R1902 F1903 | F1896-L1900 HydrophobicContact CD1-CD1 4.06Å; F1896-L1900 HydrophobicContact CE1-CD1 3.77Å; F1896-L1900 HydrophobicContact CE1-CG 4.4Å; F1896-L1900 HydrophobicContact CZ-CD1 4.46Å; F1896-L1900 WeakPolarHBondContact O-CG 3.27Å; F1896-L1900 PolarHBondContact O-N 3.34Å; N1897-L1900 PolarHBondContact O-N 3.31Å; L1900-R1902 PolarHBondContact O-N 2.75Å; L1900-F1903 PolarHBondContact O-N 2.84Å |
| 1901 | Y | 47.3 | Very low | 47.5 | Very low | 198 Ų | 198 | 129.3 Ų | 129.3 | 78% | 0.776 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73 | -9.8 | 174.8 | -76.3 | -64.3 | 0 | 0 | 0 | 114.3 | N1897 E1899 F1903 | N1897-Y1901 WeakPolarHBondContact O-CD2 3.35Å; N1897-Y1901 PolarHBondContact O-N 2.85Å; E1899-Y1901 PolarHBondContact O-N 2.82Å; Y1901-F1903 VanDerWaalsContact C-N 3.33Å |
| 1902 | R | 38.7 | Very low | 45.7 | Very low | 181 Ų | 181 | 130.4 Ų | 130.4 | 68% | 0.683 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.4 | -21.6 | 175.8 | -157 | 165.5 | -62.9 | -133.2 | -2.1 | 112.9 | Q1898 E1899 L1900 I1904 | Q1898-R1902 WeakPolarHBondContact O-CB 3Å; Q1898-R1902 PolarHBondContact O-N 2.85Å; E1899-R1902 VanDerWaalsContact O-CB 3.28Å; E1899-R1902 WeakPolarHBondContact O-CB 3.41Å; E1899-R1902 PolarHBondContact O-N 3.09Å; E1899-R1902 VanDerWaalsContact O-N 3.08Å; L1900-R1902 PolarHBondContact O-N 2.75Å; R1902-I1904 VanDerWaalsContact C-N 3.28Å; R1902-I1904 PolarHBondContact O-N 3.31Å |
| 1903 | F | 31.7 | Very low | 43.7 | Very low | 172 Ų | 172 | 133.1 Ų | 133.1 | 75% | 0.754 | 66% | 0.661 | S | S | * | * | | | trans | -80.4 | 75.8 | 173 | -70.2 | -79.3 | 0 | 0 | 0 | 110.9 | E1899 L1900 Y1901 P1905 | E1899-F1903 WeakPolarHBondContact O-CD2 3.16Å; L1900-F1903 PolarHBondContact O-N 2.84Å; Y1901-F1903 VanDerWaalsContact C-N 3.33Å; F1903-P1905 WeakPolarHBondContact O-CD 3.49Å |
| 1904 | I | 37 | Very low | 42 | Very low | 142 Ų | 142 | 137.8 Ų | 137.8 | 73% | 0.728 | 68% | 0.681 | S | S | * | * | | | trans | -56.3 | 122.9 | 163.5 | -62.7 | 178.3 | 0 | 0 | 0 | 107.5 | R1902 I1906 | R1902-I1904 VanDerWaalsContact C-N 3.28Å; R1902-I1904 PolarHBondContact O-N 3.31Å; I1904-I1906 PolarHBondContact O-N 3.03Å |
| 1905 | P | 33 | Very low | 39.8 | Very low | 108 Ų | 108 | 137.8 Ų | 137.8 | 70% | 0.701 | 69% | 0.69 | S | S | * | * | | | trans | -59 | 129.2 | 179.6 | -25.4 | 35.1 | 0 | 0 | 0 | 111.2 | F1903 E1907 | F1903-P1905 WeakPolarHBondContact O-CD 3.49Å; P1905-E1907 PolarHBondContact O-N 3.35Å |
| 1906 | I | 27.4 | Very low | 38 | Very low | 169 Ų | 169 | 139.6 Ų | 139.6 | 87% | 0.867 | 70% | 0.703 | S | S | * | * | | | trans | -74.3 | 93.1 | 173.5 | -56.8 | 176.5 | 0 | 0 | 0 | 107.4 | I1904 | I1904-I1906 PolarHBondContact O-N 3.03Š|
| 1907 | E | 30.1 | Very low | 35.8 | Very low | 171 Ų | 171 | 140.2 Ų | 140.2 | 80% | 0.799 | 71% | 0.711 | S | S | * | * | | | trans | -58.6 | 140.9 | 169.9 | -81.2 | -158.9 | 128.4 | 0 | 0 | 110.3 | P1905 A1909 | P1905-E1907 PolarHBondContact O-N 3.35Å; E1907-A1909 PolarHBondContact O-N 3.35Å |
| 1908 | P | 29.9 | Very low | 34.4 | Very low | 117 Ų | 117 | 144.1 Ų | 144.1 | 76% | 0.76 | 73% | 0.732 | S | S | * | * | | | trans | -64.1 | 128.3 | -172.7 | 25.2 | -34.2 | 0 | 0 | 0 | 111.3 | N1910 | P1908-N1910 PolarHBondContact O-N 3.24Š|
| 1909 | A | 25.7 | Very low | 32.4 | Very low | 99 Ų | 99 | 145 Ų | 145 | 82% | 0.818 | 74% | 0.744 | S | S | * | * | | | trans | -59.9 | 98.3 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | E1907 | E1907-A1909 PolarHBondContact O-N 3.35Š|
| 1910 | N | 28.2 | Very low | 30.9 | Very low | 162 Ų | 162 | 145.9 Ų | 145.9 | 87% | 0.866 | 76% | 0.757 | S | S | * | * | | | trans | -75.7 | 142.4 | 176 | -159 | -6.9 | 0 | 0 | 0 | 110.7 | P1908 | P1908-N1910 PolarHBondContact O-N 3.24Š|
| 1911 | I | 27.6 | Very low | 29.5 | Very low | 148 Ų | 148 | 147.1 Ų | 147.1 | 76% | 0.759 | 76% | 0.763 | S | S | * | * | | | trans | -81 | 132.4 | -155.4 | -64.8 | 175.3 | 0 | 0 | 0 | 112.5 | H1913 | I1911-H1913 PolarHBondContact O-N 3.1Š|
| 1912 | H | 24.3 | Very low | 28.3 | Very low | 151 Ų | 151 | 143.7 Ų | 143.7 | 70% | 0.699 | 77% | 0.768 | S | S | * | * | | | trans | -44.3 | 122.4 | -179 | -164.5 | 75.6 | 0 | 0 | 0 | 114.6 | | |
| 1913 | H | 27.4 | Very low | 27.7 | Very low | 177 Ų | 177 | 141.1 Ų | 141.1 | 82% | 0.819 | 77% | 0.773 | S | S | * | * | | | trans | -128.6 | 155.2 | 162.8 | -92.4 | 22.3 | 0 | 0 | 0 | 110.3 | I1911 | I1911-H1913 PolarHBondContact O-N 3.1Š|
| 1914 | H | 27.7 | Very low | 27.4 | Very low | 171 Ų | 171 | 139.2 Ų | 139.2 | 79% | 0.792 | 78% | 0.775 | S | S | * | * | | | trans | -71.8 | 153.7 | -151.3 | -93.8 | -101.7 | 0 | 0 | 0 | 116.4 | | |
| 1915 | P | 26.8 | Very low | 26.8 | Very low | 107 Ų | 107 | 140.5 Ų | 140.5 | 70% | 0.695 | 78% | 0.783 | S | S | * | * | | | trans | -84.7 | 157.4 | -173.6 | 35.5 | -36.7 | 0 | 0 | 0 | 113.1 | | |
| 1916 | N | 28 | Very low | 26.5 | Very low | 148 Ų | 148 | 143.9 Ų | 143.9 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | | | trans | -147.7 | 100.9 | 156.3 | -148.6 | 2.7 | 0 | 0 | 0 | 112.7 | | |
| 1917 | I | 24.9 | Very low | 26.4 | Very low | 136 Ų | 136 | 144.4 Ų | 144.4 | 70% | 0.697 | 78% | 0.783 | S | S | * | * | | | trans | 27.6 | 109 | 137.6 | -51.3 | 173.9 | 0 | 0 | 0 | 117.2 | | |
| 1918 | N | 27.6 | Very low | 26.2 | Very low | 158 Ų | 158 | 143.1 Ų | 143.1 | 85% | 0.845 | 78% | 0.781 | S | S | * | * | | | | -160.9 | 149.8 | 116.5 | -102.6 | -34.1 | 0 | 0 | 0 | 111.1 | | |
| 1919 | T | 23.9 | Very low | 25.9 | Very low | 117 Ų | 117 | 145.1 Ų | 145.1 | 72% | 0.718 | 78% | 0.78 | S | S | * | * | | | trans | -140.2 | 108.8 | -172.1 | -57.5 | 0 | 0 | 0 | 0 | 111.3 | | |
| 1920 | T | 27.8 | Very low | 25.8 | Very low | 131 Ų | 131 | 147.4 Ų | 147.4 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | | | trans | -138.5 | 85.4 | 169.2 | -48.7 | 0 | 0 | 0 | 0 | 106.7 | | |
| 1921 | I | 23.7 | Very low | 26.1 | Very low | 127 Ų | 127 | 144.5 Ų | 144.5 | 65% | 0.651 | 77% | 0.766 | S | S | * | * | | | | 66.4 | 101.8 | 90.7 | -61.8 | 164.5 | 0 | 0 | 0 | 111.1 | T1923 | I1921-T1923 HydrophobicContact CG2-CG2 4.01Š|
| 1922 | S | 22.3 | Very low | 26 | Very low | 125 Ų | 125 | 144.7 Ų | 144.7 | 87% | 0.874 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -98.2 | 124 | 158.7 | -54.5 | 0 | 0 | 0 | 0 | 108.7 | | |
| 1923 | T | 27.8 | Very low | 26.1 | Very low | 128 Ų | 128 | 142.7 Ų | 142.7 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -102.3 | 119.2 | 171.2 | 46.3 | 0 | 0 | 0 | 0 | 110 | I1921 | I1921-T1923 HydrophobicContact CG2-CG2 4.01Š|
| 1924 | T | 24.9 | Very low | 25.9 | Very low | 131 Ų | 131 | 141.1 Ų | 141.1 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 137.2 | 174.3 | 33.4 | 0 | 0 | 0 | 0 | 111.7 | | |
| 1925 | N | 24.2 | Very low | 25.7 | Very low | 169 Ų | 169 | 139.6 Ų | 139.6 | 90% | 0.904 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 135.2 | 172.4 | -91 | -26.5 | 0 | 0 | 0 | 111.6 | | |
| 1926 | K | 27.4 | Very low | 25.7 | Very low | 179 Ų | 179 | 142.7 Ų | 142.7 | 78% | 0.778 | 77% | 0.768 | S | S | * | * | | | trans | -149.6 | 124 | 166.1 | -84.1 | -162.6 | 176.7 | -177.4 | 0 | 113.5 | | |
| 1927 | F | 24 | Very low | 25.4 | Very low | 180 Ų | 180 | 140.6 Ų | 140.6 | 79% | 0.789 | 77% | 0.765 | S | S | * | * | | | trans | 79.3 | 147.8 | 146.1 | -87.7 | -96.7 | 0 | 0 | 0 | 123.2 | | |
| 1928 | I | 26.2 | Very low | 25.5 | Very low | 145 Ų | 145 | 140.4 Ų | 140.4 | 74% | 0.744 | 77% | 0.769 | S | S | * | * | | | trans | 76.4 | 91.7 | 162.6 | -57.4 | 143.2 | 0 | 0 | 0 | 116.6 | | |
| 1929 | Q | 23.4 | Very low | 25.5 | Very low | 159 Ų | 159 | 140 Ų | 140 | 74% | 0.743 | 77% | 0.767 | S | S | * | * | | | | 77.3 | 99.3 | 62.8 | -165.8 | 176.2 | 7.6 | 0 | 0 | 116.3 | | |
| 1930 | I | 24.4 | Very low | 25.7 | Very low | 147 Ų | 147 | 139.3 Ų | 139.3 | 75% | 0.754 | 76% | 0.762 | S | S | * | * | | | trans | 54.7 | 143.2 | 132.9 | -54.2 | 175.6 | 0 | 0 | 0 | 119.6 | | |
| 1931 | P | 34.2 | Very low | 25.5 | Very low | 100 Ų | 100 | 140.2 Ų | 140.2 | 65% | 0.649 | 76% | 0.762 | S | S | * | * | | | cis | -133.1 | -179.5 | -23.5 | 39.5 | -22.1 | 0 | 0 | 0 | 114.5 | | |
| 1932 | N | 24.5 | Very low | 25.6 | Very low | 152 Ų | 152 | 141.4 Ų | 141.4 | 81% | 0.813 | 77% | 0.765 | S | S | * | * | | | trans | -173.5 | 106.9 | 145.7 | -91.1 | -32.9 | 0 | 0 | 0 | 107.8 | | |
| 1933 | T | 26.7 | Very low | 25.7 | Very low | 110 Ų | 110 | 142.1 Ų | 142.1 | 68% | 0.675 | 75% | 0.754 | S | S | * | * | | | | 67.7 | 109.9 | 79 | 65.2 | 0 | 0 | 0 | 0 | 117.4 | | |
| 1934 | N | 24.6 | Very low | 25.5 | Very low | 144 Ų | 144 | 143.9 Ų | 143.9 | 77% | 0.77 | 75% | 0.753 | S | S | * | * | | | trans | 79.6 | 115.8 | 138.8 | -82.6 | -12.8 | 0 | 0 | 0 | 123.9 | | |
| 1935 | L | 23.4 | Very low | 25.4 | Very low | 139 Ų | 139 | 141.6 Ų | 141.6 | 73% | 0.728 | 74% | 0.743 | S | S | * | * | | | | 95.2 | 150.6 | 125 | -70.2 | 169.5 | 0 | 0 | 0 | 121.6 | | |
| 1936 | Q | 25.4 | Very low | 25.4 | Very low | 172 Ų | 172 | 139.6 Ų | 139.6 | 80% | 0.804 | 73% | 0.732 | S | S | * | * | | | trans | 65.1 | 105.2 | 170.5 | -70.1 | 155.7 | -2.7 | 0 | 0 | 114.9 | | |
| 1937 | S | 22.5 | Very low | 25.3 | Very low | 104 Ų | 104 | 139.9 Ų | 139.9 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | | | cis | 70.7 | 147.8 | 17.6 | 101.6 | 0 | 0 | 0 | 0 | 116.9 | | |
| 1938 | V | 26.2 | Very low | 25.4 | Very low | 131 Ų | 131 | 137.1 Ų | 137.1 | 79% | 0.794 | 73% | 0.731 | S | S | * | * | | | trans | 82.9 | 98.7 | -174.9 | -169.8 | 0 | 0 | 0 | 0 | 116 | | |
| 1939 | L | 28.3 | Very low | 25.3 | Very low | 151 Ų | 151 | 137.8 Ų | 137.8 | 79% | 0.791 | 74% | 0.736 | S | S | * | * | | | | -173.2 | 133.2 | 118.5 | -99.3 | 173.5 | 0 | 0 | 0 | 112.7 | | |
| 1940 | T | 27.8 | Very low | 25.5 | Very low | 102 Ų | 102 | 138.9 Ų | 138.9 | 63% | 0.626 | 74% | 0.739 | S | S | * | * | | | trans | 39.5 | 106 | 151.5 | 53.8 | 0 | 0 | 0 | 0 | 122.4 | | |
| 1941 | D | 24 | Very low | 25.4 | Very low | 150 Ų | 150 | 135.8 Ų | 135.8 | 80% | 0.802 | 73% | 0.73 | S | S | * | * | | | | 62.1 | 167 | 104.2 | -55.9 | -44.7 | 0 | 0 | 0 | 123.6 | | |
| 1942 | E | 26.1 | Very low | 25 | Very low | 152 Ų | 152 | 137.8 Ų | 137.8 | 71% | 0.71 | 74% | 0.741 | S | S | * | * | | | trans | 82.7 | 70.1 | 165.3 | -59.6 | -88.6 | 91.8 | 0 | 0 | 118.7 | | |
| 1943 | Q | 24.1 | Very low | 24.9 | Very low | 140 Ų | 140 | 135.1 Ų | 135.1 | 65% | 0.654 | 73% | 0.734 | S | S | * | * | | | | 65 | 130.9 | 112.7 | -71.2 | -168.9 | 58.9 | 0 | 0 | 122.8 | | |
| 1944 | H | 23.4 | Very low | 24.8 | Very low | 164 Ų | 164 | 136.3 Ų | 136.3 | 76% | 0.759 | 74% | 0.74 | S | S | * | * | | | trans | 69.6 | 146.6 | 141.9 | -75.4 | -132.9 | 0 | 0 | 0 | 119.2 | | |
| 1945 | S | 23.5 | Very low | 24.8 | Very low | 83 Ų | 83 | 134.3 Ų | 134.3 | 58% | 0.58 | 74% | 0.738 | S | S | * | * | | | cis | -165.2 | 168.8 | -20.3 | 54.3 | 0 | 0 | 0 | 0 | 110.9 | | |
| 1946 | N | 24.5 | Very low | 24.8 | Very low | 127 Ų | 127 | 131.9 Ų | 131.9 | 68% | 0.679 | 73% | 0.729 | S | S | * | * | | | trans | 81.9 | 113.8 | 154.9 | -64.5 | -16 | 0 | 0 | 0 | 121.5 | | |
| 1947 | F | 24.4 | Very low | 24.9 | Very low | 185 Ų | 185 | 130.9 Ų | 130.9 | 81% | 0.811 | 73% | 0.729 | S | S | * | * | | | trans | 58.1 | 138.9 | 133.4 | -72.5 | -99.7 | 0 | 0 | 0 | 121.1 | | |
| 1948 | V | 25.5 | Very low | 24.9 | Very low | 122 Ų | 122 | 133.1 Ų | 133.1 | 74% | 0.739 | 73% | 0.728 | S | S | * | * | | | cis | -165.7 | 162.7 | -22.4 | 99.8 | 0 | 0 | 0 | 0 | 109.8 | | |
| 1949 | N | 24.1 | Very low | 25 | Very low | 160 Ų | 160 | 133.8 Ų | 133.8 | 86% | 0.856 | 73% | 0.732 | S | S | * | * | | | trans | -65.8 | 138 | 173.9 | -66.1 | -39.8 | 0 | 0 | 0 | 112.8 | | |
| 1950 | K | 27.5 | Very low | 25 | Very low | 182 Ų | 182 | 133.9 Ų | 133.9 | 79% | 0.791 | 73% | 0.731 | S | S | * | * | | | trans | -121.7 | 120.5 | 151.4 | -166.1 | 171.1 | -175.8 | 176.5 | 0 | 109.3 | | |
| 1951 | S | 23.1 | Very low | 25 | Very low | 82 Ų | 82 | 137 Ų | 137 | 57% | 0.573 | 74% | 0.74 | S | S | * | * | | | trans | -78.3 | 148 | 178.1 | 178.8 | 0 | 0 | 0 | 0 | 111.3 | S1953 | S1951-S1953 PolarHBondContact OG-N 3.38Å; S1951-S1953 VanDerWaalsContact OG-N 3.12Å |
| 1952 | T | 25.1 | Very low | 25.2 | Very low | 142 Ų | 142 | 137.1 Ų | 137.1 | 87% | 0.871 | 74% | 0.74 | S | S | * | * | | | trans | -142 | 83.3 | 136.6 | -59.3 | 0 | 0 | 0 | 0 | 109.2 | | |
| 1953 | S | 22.7 | Very low | 25.5 | Very low | 96 Ų | 96 | 135.6 Ų | 135.6 | 67% | 0.671 | 74% | 0.742 | S | S | * | * | | | trans | -103 | 126.6 | 146 | 54.1 | 0 | 0 | 0 | 0 | 108.8 | S1951 | S1951-S1953 PolarHBondContact OG-N 3.38Å; S1951-S1953 VanDerWaalsContact OG-N 3.12Å |
| 1954 | V | 25.2 | Very low | 25.7 | Very low | 134 Ų | 134 | 135.7 Ų | 135.7 | 81% | 0.812 | 75% | 0.752 | S | S | * | * | | | trans | -138.3 | 101.2 | 153.2 | -178.9 | 0 | 0 | 0 | 0 | 106.9 | | |
| 1955 | S | 24.4 | Very low | 26.2 | Very low | 103 Ų | 103 | 133.2 Ų | 133.2 | 72% | 0.72 | 75% | 0.753 | S | S | * | * | | | trans | -75.2 | 134.4 | 155.8 | 52.6 | 0 | 0 | 0 | 0 | 108.5 | N1957 | S1955-N1957 PolarHBondContact O-N 3.29Å; S1955-N1957 VanDerWaalsContact O-N 3.16Å |
| 1956 | T | 23.8 | Very low | 26.3 | Very low | 87 Ų | 87 | 133.9 Ų | 133.9 | 53% | 0.534 | 76% | 0.764 | S | S | . | * | | | trans | -58.1 | 117.7 | 161.1 | -60.9 | 0 | 0 | 0 | 0 | 109.2 | Q64 | Q64-T1956 VanDerWaalsContact NE2-CG2 3.33Š|
| 1957 | N | 26.2 | Very low | 26.5 | Very low | 151 Ų | 151 | 135.1 Ų | 135.1 | 81% | 0.807 | 77% | 0.77 | S | S | * | * | | | trans | -161.7 | 133.1 | 151.7 | -104.6 | -35.8 | 0 | 0 | 0 | 111 | S1955 | S1955-N1957 PolarHBondContact O-N 3.29Å; S1955-N1957 VanDerWaalsContact O-N 3.16Å |
| 1958 | Q | 24.3 | Very low | 26.5 | Very low | 151 Ų | 151 | 132.5 Ų | 132.5 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | | | trans | -86.3 | 150.5 | 163.4 | -59.7 | 175.4 | 4.6 | 0 | 0 | 108.8 | | |
| 1959 | V | 28.3 | Very low | 26.6 | Very low | 145 Ų | 145 | 131.9 Ų | 131.9 | 88% | 0.879 | 76% | 0.76 | S | S | * | * | | | | 176.7 | 151 | 119.4 | 151.5 | 0 | 0 | 0 | 0 | 108.2 | | |
| 1960 | M | 27.4 | Very low | 26.7 | Very low | 154 Ų | 154 | 132.9 Ų | 132.9 | 76% | 0.759 | 76% | 0.76 | S | S | * | * | | | trans | -102.3 | 160.1 | -164.7 | -157.6 | -171.9 | -65.3 | 0 | 0 | 112.9 | | |
| 1961 | M | 27.5 | Very low | 26.6 | Very low | 166 Ų | 166 | 132.6 Ų | 132.6 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | | | trans | 74.4 | 116.2 | 163.3 | -51.4 | -164.9 | -173.6 | 0 | 0 | 118.2 | | |
| 1962 | N | 28.1 | Very low | 26.7 | Very low | 153 Ų | 153 | 134.4 Ų | 134.4 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | | | | -153.3 | 155.4 | 123.3 | -147.7 | -12.4 | 0 | 0 | 0 | 112.9 | | |
| 1963 | T | 32.8 | Very low | 26.7 | Very low | 120 Ų | 120 | 133.1 Ų | 133.1 | 74% | 0.736 | 76% | 0.759 | S | S | * | * | | | trans | 66.5 | 121.2 | 163.1 | 1.2 | 0 | 0 | 0 | 0 | 120.1 | | |
| 1964 | T | 28.1 | Very low | 27 | Very low | 143 Ų | 143 | 135.7 Ų | 135.7 | 88% | 0.877 | 77% | 0.765 | S | S | * | * | | | trans | -116 | 130.8 | 161 | -63.7 | 0 | 0 | 0 | 0 | 109.2 | | |
| 1965 | S | 32.9 | Very low | 27.3 | Very low | 112 Ų | 112 | 135.5 Ų | 135.5 | 78% | 0.783 | 76% | 0.759 | S | S | * | * | | | trans | -158.3 | 141.5 | 161.5 | 57.7 | 0 | 0 | 0 | 0 | 110.5 | | |
| 1966 | A | 27.1 | Very low | 27.4 | Very low | 96 Ų | 96 | 136.4 Ų | 136.4 | 79% | 0.793 | 76% | 0.756 | S | S | * | * | | | trans | -147.8 | 154.3 | -177 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 1967 | L | 28.9 | Very low | 27.9 | Very low | 154 Ų | 154 | 138.4 Ų | 138.4 | 81% | 0.806 | 77% | 0.768 | S | S | * | * | | | trans | -174 | 145.1 | 155 | -105.3 | 162.2 | 0 | 0 | 0 | 112.4 | | |
| 1968 | N | 24.5 | Very low | 27.8 | Very low | 130 Ų | 130 | 137.5 Ų | 137.5 | 70% | 0.695 | 76% | 0.764 | S | S | * | * | | | trans | 44.4 | 126 | 160.7 | -63.5 | -2.5 | 0 | 0 | 0 | 121 | | |
| 1969 | T | 25.8 | Very low | 27.9 | Very low | 108 Ų | 108 | 135.9 Ų | 135.9 | 66% | 0.663 | 76% | 0.764 | S | S | * | * | | | cis | 88.7 | 100.4 | 32.4 | 73.2 | 0 | 0 | 0 | 0 | 117.2 | | |
| 1970 | H | 28.1 | Very low | 27.9 | Very low | 182 Ų | 182 | 136.4 Ų | 136.4 | 84% | 0.843 | 76% | 0.76 | S | S | * | * | | | trans | -157.9 | 118.1 | 142.2 | -125.2 | -81.6 | 0 | 0 | 0 | 106 | | |
| 1971 | F | 24.9 | Very low | 27.8 | Very low | 176 Ų | 176 | 135.3 Ų | 135.3 | 77% | 0.772 | 76% | 0.757 | S | S | * | * | | | cis | 85.3 | 135.8 | 46.6 | -95.5 | -71.3 | 0 | 0 | 0 | 116.6 | | |
| 1972 | T | 25.5 | Very low | 27.9 | Very low | 119 Ų | 119 | 132.5 Ų | 132.5 | 73% | 0.73 | 75% | 0.746 | S | S | * | * | | | trans | 68 | 118.2 | 176.6 | 49.4 | 0 | 0 | 0 | 0 | 116.7 | | |
| 1973 | T | 24.5 | Very low | 27.8 | Very low | 116 Ų | 116 | 132 Ų | 132 | 71% | 0.712 | 74% | 0.743 | S | S | * | * | | | cis | 92.7 | 127 | 42.9 | -53.2 | 0 | 0 | 0 | 0 | 112 | | |
| 1974 | D | 29.4 | Very low | 27.4 | Very low | 149 Ų | 149 | 130.9 Ų | 130.9 | 80% | 0.797 | 74% | 0.74 | S | S | * | * | | | | 174.2 | 151 | 128.9 | -84.2 | -17.8 | 0 | 0 | 0 | 116.1 | | |
| 1975 | D | 31.5 | Very low | 27.3 | Very low | 131 Ų | 131 | 128.4 Ų | 128.4 | 70% | 0.701 | 73% | 0.729 | S | S | * | * | | | trans | 55.1 | 104.4 | 154.5 | -77.3 | -33.6 | 0 | 0 | 0 | 127.1 | | |
| 1976 | N | 26.8 | Very low | 27 | Very low | 122 Ų | 122 | 129.3 Ų | 129.3 | 65% | 0.652 | 73% | 0.73 | S | S | * | * | | | | 47.3 | 122.6 | 105.4 | -73.7 | -57.3 | 0 | 0 | 0 | 123.5 | | |
| 1977 | T | 32.6 | Very low | 26.8 | Very low | 129 Ų | 129 | 129.2 Ų | 129.2 | 79% | 0.791 | 72% | 0.723 | S | S | * | * | | | | 176.7 | 122.4 | 114.3 | 26.5 | 0 | 0 | 0 | 0 | 109.4 | | |
| 1978 | N | 25 | Very low | 26.7 | Very low | 132 Ų | 132 | 133.4 Ų | 133.4 | 71% | 0.706 | 73% | 0.728 | S | S | * | * | | | | 53.5 | 135.5 | 73.6 | -74.1 | -36.2 | 0 | 0 | 0 | 113.9 | | |
| 1979 | T | 27.3 | Very low | 27.2 | Very low | 117 Ų | 117 | 132 Ų | 132 | 72% | 0.718 | 73% | 0.726 | S | S | * | * | | | cis | -165.1 | 173.9 | 36.2 | -27.2 | 0 | 0 | 0 | 0 | 112.9 | | |
| 1980 | I | 26.7 | Very low | 27.2 | Very low | 156 Ų | 156 | 134.4 Ų | 134.4 | 80% | 0.8 | 73% | 0.734 | S | S | * | * | | | trans | 81.9 | 140.6 | 156.7 | -68.5 | 161.3 | 0 | 0 | 0 | 118.2 | | |
| 1981 | N | 26.7 | Very low | 27.3 | Very low | 130 Ų | 130 | 131.3 Ų | 131.3 | 70% | 0.695 | 73% | 0.733 | S | S | * | * | | | cis | -170.2 | 175.4 | -32.7 | -159.3 | 3.8 | 0 | 0 | 0 | 110.1 | | |
| 1982 | N | 28.2 | Very low | 27.4 | Very low | 108 Ų | 108 | 131.9 Ų | 131.9 | 58% | 0.578 | 74% | 0.738 | S | S | * | * | | | trans | 85.3 | 114.9 | 154.4 | -61.5 | -35.6 | 0 | 0 | 0 | 121 | | |
| 1983 | N | 27.2 | Very low | 28.1 | Very low | 142 Ų | 142 | 131 Ų | 131 | 76% | 0.759 | 73% | 0.734 | S | S | * | * | | | | 66.1 | 147.4 | 121.3 | -55.5 | -18.1 | 0 | 0 | 0 | 121.2 | | |
| 1984 | S | 24.5 | Very low | 28.3 | Very low | 96 Ų | 96 | 135.7 Ų | 135.7 | 67% | 0.671 | 75% | 0.745 | S | S | * | * | | | cis | -170.9 | 162.3 | -16.4 | 52.4 | 0 | 0 | 0 | 0 | 112.4 | | |
| 1985 | S | 24.9 | Very low | 28.1 | Very low | 92 Ų | 92 | 134 Ų | 134 | 64% | 0.643 | 74% | 0.74 | S | S | * | * | | | trans | 69.3 | 142.2 | 141.6 | 57.1 | 0 | 0 | 0 | 0 | 123.4 | | |
| 1986 | T | 27.2 | Very low | 27.8 | Very low | 131 Ų | 131 | 133 Ų | 133 | 80% | 0.804 | 74% | 0.743 | S | S | * | * | | | trans | 70.1 | 147.3 | 148.9 | 45.3 | 0 | 0 | 0 | 0 | 121.7 | | |
| 1987 | S | 23.6 | Very low | 28.2 | Very low | 93 Ų | 93 | 136.8 Ų | 136.8 | 65% | 0.65 | 75% | 0.754 | S | S | * | * | | | cis | 179.4 | 129.4 | -38.4 | 47 | 0 | 0 | 0 | 0 | 113.3 | | |
| 1988 | R | 26.1 | Very low | 27.9 | Very low | 242 Ų | 242 | 135.4 Ų | 135.4 | 91% | 0.913 | 75% | 0.75 | S | S | * | * | | | trans | 60.3 | 170.7 | 150.2 | -84.7 | -174 | 163.6 | -174.4 | -4.5 | 118.1 | | |
| 1989 | P | 34 | Very low | 28.4 | Very low | 100 Ų | 100 | 135.9 Ų | 135.9 | 65% | 0.649 | 76% | 0.757 | S | S | * | * | | | | -135.5 | -161.4 | -53.4 | 37.9 | -18.4 | 0 | 0 | 0 | 112.6 | | |
| 1990 | L | 25.5 | Very low | 28.4 | Very low | 159 Ų | 159 | 135.7 Ų | 135.7 | 83% | 0.832 | 76% | 0.756 | S | S | * | * | | | trans | 78.9 | 96.4 | 158 | -64.7 | 156.5 | 0 | 0 | 0 | 120.1 | | |
| 1991 | S | 30.3 | Very low | 28.5 | Very low | 117 Ų | 117 | 132.8 Ų | 132.8 | 82% | 0.818 | 75% | 0.75 | S | S | * | * | | | | -172.2 | 157.4 | 109.8 | 35.1 | 0 | 0 | 0 | 0 | 111.6 | | |
| 1992 | H | 28.9 | Very low | 28.6 | Very low | 188 Ų | 188 | 132.9 Ų | 132.9 | 87% | 0.87 | 76% | 0.756 | S | S | * | * | | | trans | -125.5 | -175.7 | 175.7 | -61.7 | -64.3 | 0 | 0 | 0 | 108.8 | | |
| 1993 | P | 39.7 | Very low | 28.7 | Very low | 101 Ų | 101 | 132.4 Ų | 132.4 | 66% | 0.656 | 76% | 0.756 | S | S | * | * | | | | -126.7 | 174.3 | -77.6 | 39 | -24.3 | 0 | 0 | 0 | 111.9 | | |
| 1994 | F | 28.2 | Very low | 28.9 | Very low | 215 Ų | 215 | 132.1 Ų | 132.1 | 94% | 0.943 | 76% | 0.76 | S | S | * | * | | | trans | -129.3 | 158.7 | 154 | -103.6 | -80.1 | 0 | 0 | 0 | 111.4 | | |
| 1995 | T | 24.5 | Very low | 29.4 | Very low | 112 Ų | 112 | 134.7 Ų | 134.7 | 69% | 0.687 | 77% | 0.766 | S | S | * | * | | | trans | -131.1 | 176.3 | -161.6 | 51.7 | 0 | 0 | 0 | 0 | 112.2 | | |
| 1996 | S | 26.2 | Very low | 29.7 | Very low | 110 Ų | 110 | 136.2 Ų | 136.2 | 77% | 0.769 | 77% | 0.772 | S | S | * | * | | | trans | 76.6 | 151.1 | -178.2 | 86.3 | 0 | 0 | 0 | 0 | 114.5 | | |
| 1997 | K | 35.7 | Very low | 29.7 | Very low | 202 Ų | 202 | 135.4 Ų | 135.4 | 88% | 0.878 | 77% | 0.767 | S | S | * | * | | | cis | -119.4 | 163 | 11.2 | -69.7 | 176.7 | 179.8 | 172.9 | 0 | 113.8 | | |
| 1998 | S | 25.3 | Very low | 30 | Very low | 100 Ų | 100 | 136.8 Ų | 136.8 | 70% | 0.699 | 77% | 0.772 | S | S | * | * | | | trans | -125.9 | 154.6 | 172.1 | 165.9 | 0 | 0 | 0 | 0 | 108.6 | | |
| 1999 | T | 36.1 | Very low | 30.1 | Very low | 142 Ų | 142 | 131.5 Ų | 131.5 | 87% | 0.871 | 77% | 0.766 | S | S | * | * | | | trans | -163.9 | 135.2 | 142.4 | -69 | 0 | 0 | 0 | 0 | 108.3 | | |
| 2000 | T | 27 | Very low | 29.9 | Very low | 113 Ų | 113 | 132.6 Ų | 132.6 | 69% | 0.693 | 77% | 0.771 | S | S | * | * | | | trans | -151.2 | 162.1 | -171.9 | -34 | 0 | 0 | 0 | 0 | 111.3 | | |
| 2001 | S | 28.2 | Very low | 30.1 | Very low | 95 Ų | 95 | 130.7 Ų | 130.7 | 66% | 0.664 | 77% | 0.766 | S | S | * | * | | | trans | 63.8 | 104.7 | 146.7 | 54.8 | 0 | 0 | 0 | 0 | 120.8 | | |
| 2002 | T | 29.7 | Very low | 29.9 | Very low | 133 Ų | 133 | 130.8 Ų | 130.8 | 82% | 0.816 | 76% | 0.761 | S | S | * | * | | | | 57.4 | 157.9 | 123.8 | 24.5 | 0 | 0 | 0 | 0 | 123.8 | | |
| 2003 | T | 30.2 | Very low | 29.8 | Very low | 97 Ų | 97 | 130.1 Ų | 130.1 | 60% | 0.595 | 76% | 0.758 | S | S | * | * | | | trans | 81.6 | 107 | 167.9 | -34.3 | 0 | 0 | 0 | 0 | 115.9 | N2005 | T2003-N2005 PolarHBondContact O-N 3.28Š|
| 2004 | T | 31.9 | Very low | 29.5 | Very low | 137 Ų | 137 | 131 Ų | 131 | 84% | 0.84 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -54.5 | 104.8 | 149.6 | 44.3 | 0 | 0 | 0 | 0 | 108.9 | | |
| 2005 | N | 33.4 | Very low | 29.4 | Very low | 149 Ų | 149 | 125.4 Ų | 125.4 | 80% | 0.797 | 76% | 0.755 | S | S | * | * | S | Bend | trans | 68.8 | 85.8 | -177.6 | -53.1 | -24.4 | 0 | 0 | 0 | 115 | T2003 | T2003-N2005 PolarHBondContact O-N 3.28Š|
| 2006 | T | 31 | Very low | 29.7 | Very low | 125 Ų | 125 | 127.6 Ų | 127.6 | 77% | 0.767 | 76% | 0.762 | S | S | * | * | | | trans | 11 | 127.5 | 151.6 | -33 | 0 | 0 | 0 | 0 | 120.1 | | |
| 2007 | T | 28.7 | Very low | 29.6 | Very low | 114 Ų | 114 | 129.1 Ų | 129.1 | 70% | 0.699 | 76% | 0.76 | S | S | * | * | | | | 139.7 | 139 | 129.9 | -47.8 | 0 | 0 | 0 | 0 | 114.8 | | |
| 2008 | T | 30 | Very low | 29.2 | Very low | 122 Ų | 122 | 127.7 Ų | 127.7 | 75% | 0.748 | 76% | 0.756 | S | S | * | * | | | trans | 77.8 | 93.2 | 159.9 | 23.2 | 0 | 0 | 0 | 0 | 123.7 | | |
| 2009 | V | 27.7 | Very low | 29.2 | Very low | 131 Ų | 131 | 128.7 Ų | 128.7 | 79% | 0.794 | 76% | 0.758 | S | S | * | * | | | | 56.6 | 142.6 | 122.8 | -173.2 | 0 | 0 | 0 | 0 | 123.2 | | |
| 2010 | T | 29.5 | Very low | 28.9 | Very low | 122 Ų | 122 | 129.1 Ų | 129.1 | 75% | 0.748 | 75% | 0.753 | S | S | * | * | | | trans | 118 | 129.1 | 146.1 | -4.4 | 0 | 0 | 0 | 0 | 121.1 | | |
| 2011 | T | 29.5 | Very low | 28.9 | Very low | 119 Ų | 119 | 129.3 Ų | 129.3 | 73% | 0.73 | 76% | 0.759 | S | S | * | * | | | trans | 73.8 | 101.2 | 150.2 | -54.6 | 0 | 0 | 0 | 0 | 124.1 | | |
| 2012 | V | 26.2 | Very low | 29.2 | Very low | 119 Ų | 119 | 133.2 Ų | 133.2 | 72% | 0.721 | 77% | 0.771 | S | S | * | * | | | trans | 20.7 | 146.6 | 133.8 | -138.4 | 0 | 0 | 0 | 0 | 124.3 | | |
| 2013 | H | 27.7 | Very low | 29.1 | Very low | 175 Ų | 175 | 133.9 Ų | 133.9 | 81% | 0.81 | 78% | 0.776 | S | S | * | * | | | trans | 106.8 | 133.1 | 135 | -102.7 | -58.3 | 0 | 0 | 0 | 122.5 | | |
| 2014 | S | 32.7 | Very low | 29.2 | Very low | 119 Ų | 119 | 132.7 Ų | 132.7 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | | | trans | 111.1 | 156.4 | 140.6 | 79 | 0 | 0 | 0 | 0 | 118.9 | | |
| 2015 | S | 25.5 | Very low | 29.3 | Very low | 98 Ų | 98 | 136.6 Ų | 136.6 | 69% | 0.685 | 79% | 0.788 | S | S | * | * | | | trans | -146.2 | 138.9 | -160.5 | 54.8 | 0 | 0 | 0 | 0 | 110.4 | | |
| 2016 | N | 31.9 | Very low | 29 | Very low | 158 Ų | 158 | 134.3 Ų | 134.3 | 85% | 0.845 | 78% | 0.784 | S | S | * | * | | | trans | -151.5 | 87.9 | 170.7 | -102.5 | -25.3 | 0 | 0 | 0 | 114 | | |
| 2017 | I | 24.7 | Very low | 28.9 | Very low | 142 Ų | 142 | 134.9 Ų | 134.9 | 73% | 0.728 | 78% | 0.782 | S | S | * | * | | | | 47.4 | 124.2 | 111.9 | -68.5 | 175.8 | 0 | 0 | 0 | 120.4 | | |
| 2018 | H | 26.7 | Very low | 29.2 | Very low | 172 Ų | 172 | 137.1 Ų | 137.1 | 80% | 0.796 | 79% | 0.79 | S | S | * | * | | | trans | 79.6 | 136.5 | 151.7 | -105.5 | -77.8 | 0 | 0 | 0 | 124.3 | | |
| 2019 | V | 25.5 | Very low | 29.1 | Very low | 121 Ų | 121 | 138.7 Ų | 138.7 | 73% | 0.733 | 79% | 0.794 | S | S | * | * | | | trans | -106.2 | 148.3 | 167.9 | 175.7 | 0 | 0 | 0 | 0 | 108.6 | | |
| 2020 | I | 29.2 | Very low | 29.1 | Very low | 151 Ų | 151 | 140.4 Ų | 140.4 | 77% | 0.774 | 80% | 0.795 | S | S | * | * | | | trans | 174.2 | 142.5 | 137.6 | -90.9 | 154.1 | 0 | 0 | 0 | 109.7 | | |
| 2021 | S | 27.9 | Very low | 29.3 | Very low | 117 Ų | 117 | 142.4 Ų | 142.4 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -89.4 | 151.8 | 178.9 | -62.6 | 0 | 0 | 0 | 0 | 112.7 | | |
| 2022 | L | 34.2 | Very low | 29.1 | Very low | 176 Ų | 176 | 144.3 Ų | 144.3 | 92% | 0.921 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -94.2 | 148.8 | -179.8 | -70.3 | 160.1 | 0 | 0 | 0 | 112.4 | | |
| 2023 | T | 27.7 | Very low | 29.4 | Very low | 147 Ų | 147 | 147 Ų | 147 | 90% | 0.902 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -99.8 | 147.3 | 168.2 | 48.9 | 0 | 0 | 0 | 0 | 110.5 | | |
| 2024 | G | 32 | Very low | 29.5 | Very low | 73 Ų | 73 | 145 Ų | 145 | 75% | 0.753 | 80% | 0.798 | S | S | * | * | | | trans | -166.1 | 72.8 | -168 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 2025 | K | 33.8 | Very low | 29.4 | Very low | 219 Ų | 219 | 146.5 Ų | 146.5 | 95% | 0.952 | 79% | 0.792 | S | S | * | * | | | trans | 70.8 | 157.6 | 151 | -64.6 | -173.8 | 175.6 | -176.8 | 0 | 120.7 | | |
| 2026 | S | 26.3 | Very low | 29.9 | Very low | 100 Ų | 100 | 150.1 Ų | 150.1 | 70% | 0.699 | 80% | 0.803 | S | S | * | * | | | trans | -121.8 | 172.2 | 178.7 | 168.7 | 0 | 0 | 0 | 0 | 108.9 | | |
| 2027 | N | 29.2 | Very low | 30 | Very low | 137 Ų | 137 | 149.3 Ų | 149.3 | 73% | 0.733 | 80% | 0.798 | S | S | * | * | | | trans | 80.2 | 137.6 | -179.9 | -44.7 | 7.8 | 0 | 0 | 0 | 111.6 | | |
| 2028 | D | 35.8 | Very low | 30.4 | Very low | 161 Ų | 161 | 151.3 Ų | 151.3 | 86% | 0.861 | 80% | 0.804 | S | S | * | * | | | cis | -122.4 | 175.9 | 26.1 | -71.1 | -55.4 | 0 | 0 | 0 | 115.6 | | |
| 2029 | N | 27.1 | Very low | 30.8 | Very low | 155 Ų | 155 | 150 Ų | 150 | 83% | 0.829 | 80% | 0.803 | S | S | * | * | | | trans | -131 | 157.2 | 173.2 | -170.7 | 4.1 | 0 | 0 | 0 | 108.8 | | |
| 2030 | M | 29.2 | Very low | 31.3 | Very low | 167 Ų | 167 | 153.4 Ų | 153.4 | 82% | 0.823 | 81% | 0.811 | S | S | * | * | | | trans | 68.1 | 130.2 | -157.2 | -45.3 | -178.3 | 71.8 | 0 | 0 | 111.2 | | |
| 2031 | I | 31.9 | Very low | 31.3 | Very low | 164 Ų | 164 | 156.1 Ų | 156.1 | 84% | 0.841 | 81% | 0.813 | S | S | * | * | | | cis | -132 | 147.8 | 31.8 | -73.9 | 165 | 0 | 0 | 0 | 110.9 | | |
| 2032 | N | 26.6 | Very low | 31.5 | Very low | 159 Ų | 159 | 165 Ų | 165 | 85% | 0.85 | 83% | 0.83 | S | S | * | * | | | trans | -128.3 | 112.6 | 171 | -179.5 | 5 | 0 | 0 | 0 | 109.6 | | |
| 2033 | K | 31.8 | Very low | 31.3 | Very low | 175 Ų | 175 | 164.4 Ų | 164.4 | 76% | 0.761 | 83% | 0.826 | S | S | * | * | | | trans | -174.3 | 151 | 162.3 | -112.6 | 175.2 | -176.1 | -174.4 | 0 | 111.6 | | |
| 2034 | Q | 29.5 | Very low | 31.5 | Very low | 135 Ų | 135 | 165.3 Ų | 165.3 | 63% | 0.631 | 82% | 0.822 | S | S | * | * | | | trans | 55.8 | 102.5 | 179.4 | -94.8 | 43.1 | 50.8 | 0 | 0 | 115 | | |
| 2035 | E | 31.6 | Very low | 31.5 | Very low | 149 Ų | 149 | 170.4 Ų | 170.4 | 70% | 0.696 | 83% | 0.826 | S | S | * | * | | | | 76 | 96.3 | 63.7 | -171.7 | 176.7 | -113.3 | 0 | 0 | 111.3 | | |
| 2036 | L | 35.1 | Very low | 31.3 | Very low | 175 Ų | 175 | 167.6 Ų | 167.6 | 92% | 0.916 | 82% | 0.818 | S | S | * | * | | | trans | -119.2 | 110.3 | 162.2 | -87.8 | 165 | 0 | 0 | 0 | 107 | | |
| 2037 | L | 33.6 | Very low | 31.7 | Very low | 141 Ų | 141 | 171.8 Ų | 171.8 | 74% | 0.738 | 83% | 0.826 | S | S | * | * | | | trans | -88.5 | 167.7 | 158.8 | -78.2 | 162.2 | 0 | 0 | 0 | 108.5 | | |
| 2038 | E | 34.1 | Very low | 31.8 | Very low | 183 Ų | 183 | 174.1 Ų | 174.1 | 86% | 0.855 | 83% | 0.832 | S | S | * | * | | | trans | 70.7 | 131.2 | -175.2 | -51.3 | 173.3 | -173.1 | 0 | 0 | 111.3 | | |
| 2039 | D | 35.1 | Very low | 31.5 | Very low | 144 Ų | 144 | 175.1 Ų | 175.1 | 77% | 0.77 | 83% | 0.83 | S | S | * | * | | | cis | -122.8 | 139.7 | 23.9 | -74 | -56.8 | 0 | 0 | 0 | 114.8 | | |
| 2040 | E | 35.4 | Very low | 31.9 | Very low | 194 Ų | 194 | 176.6 Ų | 176.6 | 91% | 0.907 | 83% | 0.83 | S | S | * | * | | | trans | -91.1 | 91.6 | 161.2 | -177.8 | 177.6 | -137.9 | 0 | 0 | 109 | | |
| 2041 | Y | 30.2 | Very low | 32.1 | Very low | 208 Ų | 208 | 177.4 Ų | 177.4 | 82% | 0.816 | 83% | 0.83 | S | S | * | * | | | trans | -154.3 | 75.5 | 178.8 | -119.6 | -71.7 | 0 | 0 | 0 | 113.7 | | |
| 2042 | Y | 30.6 | Very low | 32.1 | Very low | 302 Ų | 302 | 178.6 Ų | 178.6 | 100% | 1.184 | 83% | 0.829 | S | S | * | * | | | trans | -166.8 | 0 | 142.3 | -114.7 | -64.7 | 0 | 0 | 0 | 114 | | |