| 1 | M | 40.3 | Very low | 44.6 | Very low | 227 Ų | 227 | 139.4 Ų | 139.4 | 100% | 1.118 | 81% | 0.805 | S | S | * | * | | | | 0 | 139.9 | 0 | -71 | 146.7 | 64.8 | 0 | 0 | 107.6 | | |
| 2 | T | 45.3 | Very low | 44.7 | Very low | 125 Ų | 125 | 135.8 Ų | 135.8 | 77% | 0.767 | 80% | 0.804 | S | S | * | * | | | trans | 41 | 132.7 | 149.3 | 54.8 | 0 | 0 | 0 | 0 | 119.9 | | |
| 3 | S | 46.6 | Very low | 44.5 | Very low | 89 Ų | 89 | 132.8 Ų | 132.8 | 62% | 0.622 | 80% | 0.804 | S | S | * | * | | | cis | -167.9 | 152.5 | 20.4 | 1.7 | 0 | 0 | 0 | 0 | 113.1 | | |
| 4 | Y | 46.4 | Very low | 44.3 | Very low | 213 Ų | 213 | 128.9 Ų | 128.9 | 84% | 0.835 | 79% | 0.793 | S | S | * | * | | | trans | 42.3 | 120.7 | 154.2 | -45.6 | -58.1 | 0 | 0 | 0 | 119.5 | | |
| 5 | A | 45.5 | Very low | 44.1 | Very low | 80 Ų | 80 | 129.3 Ų | 129.3 | 66% | 0.661 | 80% | 0.795 | S | S | * | * | | | cis | 74.8 | 129 | 33.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 6 | N | 46.3 | Very low | 43.9 | Very low | 164 Ų | 164 | 129.2 Ų | 129.2 | 88% | 0.877 | 79% | 0.794 | S | S | * | * | | | trans | -169.6 | 140.6 | 143.1 | -96.9 | -26.8 | 0 | 0 | 0 | 110.4 | | |
| 7 | D | 43.2 | Very low | 43.7 | Very low | 147 Ų | 147 | 126.2 Ų | 126.2 | 79% | 0.786 | 79% | 0.785 | S | S | * | * | | | trans | -101.8 | 175.5 | -166.5 | -49.3 | -91.2 | 0 | 0 | 0 | 114.3 | | |
| 8 | T | 47.5 | Very low | 43.5 | Very low | 139 Ų | 139 | 126.3 Ų | 126.3 | 85% | 0.853 | 79% | 0.786 | S | S | * | * | | | | -169.1 | 144.4 | 126.5 | -76.2 | 0 | 0 | 0 | 0 | 110.8 | | |
| 9 | T | 39.5 | Very low | 43.3 | Very low | 125 Ų | 125 | 125.4 Ų | 125.4 | 77% | 0.767 | 78% | 0.784 | S | S | * | * | | | trans | -148.2 | 151.7 | -178.9 | -74.8 | 0 | 0 | 0 | 0 | 111.6 | | |
| 10 | T | 46.7 | Very low | 43.1 | Very low | 134 Ų | 134 | 124.3 Ų | 124.3 | 82% | 0.822 | 79% | 0.788 | S | S | * | * | | | trans | -159 | 128.1 | 161.9 | -69.8 | 0 | 0 | 0 | 0 | 108.3 | | |
| 11 | A | 43.3 | Very low | 42.9 | Very low | 90 Ų | 90 | 123 Ų | 123 | 74% | 0.744 | 79% | 0.789 | S | S | * | * | | | cis | 101 | 58.9 | 8.9 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 12 | A | 45.8 | Very low | 42.9 | Very low | 96 Ų | 96 | 116.3 Ų | 116.3 | 79% | 0.793 | 77% | 0.77 | S | S | * | * | | | trans | -142.9 | 128.2 | 152 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 13 | A | 41.6 | Very low | 42.6 | Very low | 98 Ų | 98 | 116.5 Ų | 116.5 | 81% | 0.81 | 77% | 0.77 | S | S | * | * | | | cis | 84.2 | 136.7 | 26.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 14 | A | 41.8 | Very low | 42.3 | Very low | 78 Ų | 78 | 117.2 Ų | 117.2 | 65% | 0.645 | 78% | 0.775 | S | S | * | * | | | cis | -172.6 | 160.9 | -13.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 15 | T | 41.4 | Very low | 42.1 | Very low | 135 Ų | 135 | 112.2 Ų | 112.2 | 83% | 0.828 | 77% | 0.772 | S | S | * | * | | | trans | 60.1 | 165.1 | 148 | 52.7 | 0 | 0 | 0 | 0 | 120.8 | | |
| 16 | T | 41.4 | Very low | 41.8 | Very low | 127 Ų | 127 | 116 Ų | 116 | 78% | 0.779 | 78% | 0.781 | S | S | * | * | | | cis | -172.7 | 168 | -31.2 | -79.2 | 0 | 0 | 0 | 0 | 108.5 | | |
| 17 | A | 40 | Very low | 41.5 | Very low | 78 Ų | 78 | 111.5 Ų | 111.5 | 65% | 0.645 | 77% | 0.773 | S | S | * | * | | | trans | 91.6 | 104.9 | 154.3 | 0 | 0 | 0 | 0 | 0 | 122.7 | | |
| 18 | T | 40.3 | Very low | 41.3 | Very low | 129 Ų | 129 | 109.2 Ų | 109.2 | 79% | 0.791 | 77% | 0.774 | S | S | * | * | | | | 63.1 | 139.7 | 123.6 | 59.5 | 0 | 0 | 0 | 0 | 126.1 | | |
| 19 | S | 39.8 | Very low | 41 | Very low | 108 Ų | 108 | 107.3 Ų | 107.3 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | | | trans | 79 | 101.5 | 137.1 | 60.6 | 0 | 0 | 0 | 0 | 123.6 | | |
| 20 | A | 39.8 | Very low | 40.9 | Very low | 103 Ų | 103 | 110.2 Ų | 110.2 | 85% | 0.851 | 78% | 0.778 | S | S | * | * | | | | 79.9 | 135.5 | 116 | 0 | 0 | 0 | 0 | 0 | 124 | | |
| 21 | A | 39 | Very low | 40.6 | Very low | 98 Ų | 98 | 108 Ų | 108 | 81% | 0.81 | 77% | 0.773 | S | S | * | * | | | trans | 85 | 114.1 | 143.8 | 0 | 0 | 0 | 0 | 0 | 123.2 | | |
| 22 | A | 39.6 | Very low | 40.4 | Very low | 87 Ų | 87 | 108.2 Ų | 108.2 | 72% | 0.719 | 78% | 0.775 | S | S | * | * | | | | 88.2 | 124.1 | 125.8 | 0 | 0 | 0 | 0 | 0 | 124.2 | | |
| 23 | T | 39 | Very low | 40.1 | Very low | 128 Ų | 128 | 109.7 Ų | 109.7 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | | | trans | 72 | 104.2 | 133.3 | 51.4 | 0 | 0 | 0 | 0 | 125 | | |
| 24 | S | 40.4 | Very low | 40 | Very low | 104 Ų | 104 | 110.7 Ų | 110.7 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | | | | 73.4 | 145.4 | 119.6 | 66 | 0 | 0 | 0 | 0 | 125.8 | | |
| 25 | S | 41.5 | Very low | 40 | Very low | 108 Ų | 108 | 109 Ų | 109 | 76% | 0.755 | 76% | 0.756 | S | S | * | * | | | trans | 76.7 | 150 | 153.8 | 77.3 | 0 | 0 | 0 | 0 | 118.5 | | |
| 26 | D | 40 | Very low | 39.9 | Very low | 161 Ų | 161 | 106.8 Ų | 106.8 | 86% | 0.861 | 74% | 0.742 | S | S | * | * | | | cis | -162.4 | 164.4 | -10.5 | -132.4 | -43.4 | 0 | 0 | 0 | 114.7 | | |
| 27 | G | 40.2 | Very low | 39.8 | Very low | 68 Ų | 68 | 101.7 Ų | 101.7 | 70% | 0.701 | 71% | 0.713 | S | S | * | * | | | trans | 70.2 | 164.6 | 157.5 | 0 | 0 | 0 | 0 | 0 | 122.1 | | |
| 28 | A | 39.9 | Very low | 39.9 | Very low | 99 Ų | 99 | 99.3 Ų | 99.3 | 82% | 0.818 | 69% | 0.693 | S | S | * | * | | | cis | -172 | 154.2 | -19.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 29 | A | 39.5 | Very low | 40 | Very low | 99 Ų | 99 | 96 Ų | 96 | 82% | 0.818 | 67% | 0.668 | S | S | * | * | | | trans | 62.1 | 157.6 | 152.6 | 0 | 0 | 0 | 0 | 0 | 123.1 | | |
| 30 | E | 38.2 | Very low | 40.2 | Very low | 187 Ų | 187 | 96.6 Ų | 96.6 | 87% | 0.874 | 66% | 0.659 | S | S | * | * | | | cis | -170.6 | 157.5 | -32.7 | -153 | -170.7 | 155.9 | 0 | 0 | 113.6 | | |
| 31 | A | 39.4 | Very low | 40.2 | Very low | 88 Ų | 88 | 95.8 Ų | 95.8 | 73% | 0.727 | 65% | 0.648 | S | S | * | * | | | trans | 83.3 | 135 | 146.3 | 0 | 0 | 0 | 0 | 0 | 128.5 | | |
| 32 | A | 39.8 | Very low | 40.2 | Very low | 94 Ų | 94 | 95 Ų | 95 | 78% | 0.777 | 64% | 0.642 | S | S | * | * | | | trans | 78.3 | 165.1 | 144.2 | 0 | 0 | 0 | 0 | 0 | 125.5 | | |
| 33 | T | 39.4 | Very low | 40.1 | Very low | 126 Ų | 126 | 98 Ų | 98 | 77% | 0.773 | 65% | 0.65 | S | S | * | * | | | | -168.3 | 126.9 | -53.5 | 47.4 | 0 | 0 | 0 | 0 | 117.4 | | |
| 34 | T | 40.6 | Very low | 40.1 | Very low | 119 Ų | 119 | 95.9 Ų | 95.9 | 73% | 0.73 | 65% | 0.654 | S | S | * | * | | | | 76.2 | 149.3 | 127.3 | -48.4 | 0 | 0 | 0 | 0 | 127.5 | | |
| 35 | A | 40.6 | Very low | 40 | Very low | 42 Ų | 42 | 94.4 Ų | 94.4 | 35% | 0.347 | 66% | 0.656 | S | S | . | * | | | trans | 76.9 | 158.1 | 167.1 | 0 | 0 | 0 | 0 | 0 | 118.9 | Q371 | A35-Q371 CarbonylContact C-O 3.59Å; A35-Q371 CarbonylContact O-C 3.53Å; A35-Q371 WeakPolarHBondContact O-CB 3.49Å |
| 36 | V | 40.6 | Very low | 39.9 | Very low | 90 Ų | 90 | 96.3 Ų | 96.3 | 55% | 0.545 | 66% | 0.662 | S | S | . | * | | | cis | 114.6 | 115.4 | -9 | -178.5 | 0 | 0 | 0 | 0 | 123.2 | R370 Q371 | V36-R370 CarbonylContact C-O 3.34Å; V36-R370 WeakPolarHBondContact CA-O 3.26Å; V36-R370 PolarHBondContact N-O 2.98Å; V36-Q371 PolarHBondContact N-O 3.15Å; V36-Q371 PolarHBondContact O-OE1 2.99Å |
| 37 | A | 39.3 | Very low | 39.7 | Very low | 19 Ų | 19 | 92.7 Ų | 92.7 | 16% | 0.157 | 66% | 0.655 | C | S | . | * | B | Isolated β-bridge | trans | 149.6 | 128.6 | 146.3 | 0 | 0 | 0 | 0 | 0 | 122.1 | Q366 L367 A368 L369 R370 | A37-Q366 CarbonylContact C-O 3.18Å; A37-L367 HydrophobicContact CB-CD2 4Å; A37-A368 VanDerWaalsContact CA-N 3.28Å; A37-A368 VanDerWaalsContact N-C 3.25Å; A37-A368 PolarHBondContact N-O 3.5Å; A37-L369 VanDerWaalsContact C-N 3.34Å; A37-R370 HydrophobicContact CB-CB 4.02Å; A37-R370 HydrophobicContact CB-CG 4.39Å; A37-R370 PolarHBondContact N-O 2.19Å; A37-R370 VanDerWaalsContact O-CA 3.31Å; A37-R370 WeakPolarHBondContact O-CA 3.26Å; A37-R370 WeakPolarHBondContact O-CB 3.44Å; A37-R370 WeakPolarHBondContact O-CG 3.49Å; A37-R370 PolarHBondContact O-N 3.09Å |
| 38 | A | 41.2 | Very low | 40.1 | Very low | 28 Ų | 28 | 95 Ų | 95 | 23% | 0.231 | 66% | 0.657 | C | S | . | * | | | trans | -125.9 | -170 | -162.6 | 0 | 0 | 0 | 0 | 0 | 117.9 | Q366 A368 L369 | A38-Q366 PolarHBondContact N-O 3.24Å; A38-Q366 CarbonylContact O-C 3.59Å; A38-Q366 WeakPolarHBondContact O-CA 3.43Å; A38-A368 HydrophobicContact CB-CB 3.91Å; A38-L369 HydrophobicContact CB-CB 3.73Å; A38-L369 HydrophobicContact CB-CD1 4.14Å; A38-L369 HydrophobicContact CB-CG 3.8Å |
| 39 | H | 43 | Very low | 39.9 | Very low | 59 Ų | 59 | 96 Ų | 96 | 27% | 0.273 | 66% | 0.659 | S | S | . | * | | | | 160.5 | 143.7 | 121.2 | -94.6 | -137.3 | 0 | 0 | 0 | 120.6 | T363 A364 M365 Q366 L367 | H39-T363 WeakPolarHBondContact NE2-CA 3.44Å; H39-T363 PolarHBondContact NE2-N 3.07Å; H39-T363 VanDerWaalsContact NE2-N 3.15Å; H39-T363 PolarHBondContact NE2-O 3.24Å; H39-A364 VanDerWaalsContact NE2-C 3.32Å; H39-A364 WeakPolarHBondContact NE2-CA 3.18Å; H39-A364 PolarHBondContact NE2-N 3.36Å; H39-M365 WeakPolarHBondContact CA-O 3.42Å; H39-M365 VanDerWaalsContact CB-C 3.49Å; H39-M365 VanDerWaalsContact CB-O 3.25Å; H39-M365 WeakPolarHBondContact CB-O 3.36Å; H39-M365 PolarHBondContact CD2-O 3.24Å; H39-M365 VanDerWaalsContact ND1-CA 3.3Å; H39-M365 WeakPolarHBondContact ND1-CA 3.37Å; H39-M365 PolarHBondContact ND1-O 2.88Å; H39-M365 WeakPolarHBondContact NE2-CA 3.33Å; H39-M365 PolarHBondContact NE2-N 3.25Å; H39-Q366 WeakPolarHBondContact CD2-CA 2.98Å; H39-Q366 PolarHBondContact CD2-N 3.36Å; H39-Q366 PolarHBondContact CE1-N 2.68Å; H39-Q366 PolarHBondContact CE1-OE1 3.15Å; H39-Q366 WeakPolarHBondContact ND1-CA 3.41Å; H39-Q366 PolarHBondContact ND1-N 3.36Å; H39-Q366 PolarHBondContact ND1-OE1 3.25Å; H39-Q366 PolarHBondContact NE2-N 2.6Å; H39-Q366 PolarHBondContact NE2-OE1 2.76Å; H39-Q366 VanDerWaalsContact NE2-OE1 3.15Å; H39-L367 PolarHBondContact CD2-N 2.94Å |
| 40 | Q | 42.5 | Very low | 40 | Very low | 121 Ų | 121 | 96.6 Ų | 96.6 | 57% | 0.565 | 66% | 0.663 | S | S | * | * | | | trans | 64.4 | 170.5 | 138.5 | -71.3 | -171 | 116.1 | 0 | 0 | 123.8 | M365 | Q40-M365 HydrophobicContact CG-CB 3.97Å; Q40-M365 HydrophobicContact CG-CG 3.65Å; Q40-M365 HydrophobicContact CG-SD 4.11Å |
| 41 | S | 40.7 | Very low | 40 | Very low | 87 Ų | 87 | 94.9 Ų | 94.9 | 61% | 0.608 | 66% | 0.66 | S | S | * | * | | | cis | 177.5 | 164.7 | -31.8 | -172.5 | 0 | 0 | 0 | 0 | 112.7 | | |
| 42 | A | 39.3 | Very low | 39.7 | Very low | 82 Ų | 82 | 96 Ų | 96 | 68% | 0.678 | 66% | 0.658 | S | S | * | * | | | trans | 72.6 | 161.1 | 151.6 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 43 | V | 38.2 | Very low | 39.4 | Very low | 148 Ų | 148 | 96.3 Ų | 96.3 | 90% | 0.897 | 65% | 0.654 | S | S | * | * | | | cis | -164.5 | 162.9 | -11.5 | -104 | 0 | 0 | 0 | 0 | 112.4 | | |
| 44 | G | 38.8 | Very low | 39.5 | Very low | 85 Ų | 85 | 100.2 Ų | 100.2 | 88% | 0.876 | 66% | 0.66 | S | S | * | * | | | trans | 88.6 | 159.5 | 166.9 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 45 | G | 37.8 | Very low | 39.4 | Very low | 73 Ų | 73 | 100 Ų | 100 | 75% | 0.753 | 66% | 0.659 | S | S | * | * | | | cis | 161.6 | 163.1 | -0.2 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 46 | V | 38.8 | Very low | 39.5 | Very low | 148 Ų | 148 | 107.1 Ų | 107.1 | 90% | 0.897 | 68% | 0.682 | S | S | * | * | | | cis | -153 | 171.8 | -6.3 | -170.1 | 0 | 0 | 0 | 0 | 108.1 | | |
| 47 | A | 36.9 | Very low | 39.6 | Very low | 85 Ų | 85 | 107.4 Ų | 107.4 | 70% | 0.702 | 69% | 0.688 | S | S | * | * | | | trans | -72.7 | 172.9 | 170 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 48 | P | 48 | Very low | 40.1 | Very low | 115 Ų | 115 | 116.8 Ų | 116.8 | 75% | 0.747 | 72% | 0.719 | S | S | * | * | | | cis | -147.3 | -177.2 | 26.5 | 45.1 | -24.1 | 0 | 0 | 0 | 119.3 | | |
| 49 | S | 36.3 | Very low | 40 | Very low | 122 Ų | 122 | 122.1 Ų | 122.1 | 85% | 0.853 | 74% | 0.744 | S | S | * | * | | | trans | 32.9 | 123.8 | 150.2 | -55.8 | 0 | 0 | 0 | 0 | 122.9 | | |
| 50 | A | 40.6 | Very low | 40 | Very low | 110 Ų | 110 | 126.8 Ų | 126.8 | 91% | 0.909 | 77% | 0.771 | S | S | * | * | | | trans | -149.7 | 139.4 | 150.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 51 | D | 37.8 | Very low | 39.9 | Very low | 152 Ų | 152 | 128.1 Ų | 128.1 | 81% | 0.813 | 78% | 0.781 | S | S | * | * | | | trans | -74.9 | -149.9 | -162.9 | -148.4 | -43.4 | 0 | 0 | 0 | 117 | | |
| 52 | T | 34 | Very low | 39.6 | Very low | 111 Ų | 111 | 128.9 Ų | 128.9 | 68% | 0.681 | 79% | 0.787 | S | S | * | * | | | trans | -132.9 | 171.9 | -155.5 | 62.1 | 0 | 0 | 0 | 0 | 114.5 | | |
| 53 | S | 33.9 | Very low | 39.5 | Very low | 101 Ų | 101 | 132.6 Ų | 132.6 | 71% | 0.706 | 79% | 0.794 | S | S | * | * | | | trans | 78.1 | 139.4 | 154.4 | 84.7 | 0 | 0 | 0 | 0 | 121 | | |
| 54 | K | 40.2 | Very low | 39.6 | Very low | 207 Ų | 207 | 129.1 Ų | 129.1 | 90% | 0.9 | 79% | 0.787 | S | S | * | * | | | trans | 174.8 | 149.7 | 150 | -98.6 | 154.5 | -174.3 | 170.1 | 0 | 109.9 | | |
| 55 | V | 38.5 | Very low | 39.4 | Very low | 115 Ų | 115 | 136.7 Ų | 136.7 | 70% | 0.697 | 79% | 0.79 | S | S | * | * | | | cis | -176.8 | 162.3 | -44.9 | 130.5 | 0 | 0 | 0 | 0 | 108.7 | | |
| 56 | K | 44.3 | Very low | 39.5 | Very low | 191 Ų | 191 | 136.1 Ų | 136.1 | 83% | 0.83 | 78% | 0.784 | S | S | * | * | | | trans | 81.1 | 143.3 | 175.5 | -74.2 | 157.6 | -177.9 | 176.3 | 0 | 116.4 | | |
| 57 | S | 42.7 | Very low | 39.3 | Very low | 97 Ų | 97 | 136.4 Ų | 136.4 | 68% | 0.678 | 78% | 0.775 | S | S | * | * | | | cis | -157.5 | 151.4 | 5.9 | -136.3 | 0 | 0 | 0 | 0 | 115.3 | | |
| 58 | R | 49.1 | Very low | 39.4 | Very low | 215 Ų | 215 | 143.1 Ų | 143.1 | 81% | 0.811 | 78% | 0.784 | S | S | * | * | | | trans | 69.5 | 78.8 | 149.2 | -75.9 | 178.6 | 172.1 | 159.5 | -2.9 | 121.1 | | |
| 59 | D | 38.1 | Very low | 38.8 | Very low | 141 Ų | 141 | 142 Ų | 142 | 75% | 0.754 | 78% | 0.775 | S | S | * | * | | | | 31.7 | 127.9 | 103.8 | -42 | -59.1 | 0 | 0 | 0 | 120.4 | | |
| 60 | N | 44.5 | Very low | 38.7 | Very low | 156 Ų | 156 | 143.5 Ų | 143.5 | 83% | 0.834 | 77% | 0.773 | S | S | * | * | | | | -155.9 | 154 | 123.1 | -110.6 | -56.8 | 0 | 0 | 0 | 112.6 | | |
| 61 | L | 40.4 | Very low | 38.6 | Very low | 149 Ų | 149 | 145.8 Ų | 145.8 | 78% | 0.78 | 77% | 0.77 | S | S | * | * | | | trans | -50.8 | 143.1 | -166.5 | -78.8 | 52.7 | 0 | 0 | 0 | 115 | | |
| 62 | S | 33.1 | Very low | 38.4 | Very low | 104 Ų | 104 | 146.3 Ų | 146.3 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | | | | 63.4 | 128.1 | 64.3 | -160.4 | 0 | 0 | 0 | 0 | 111.9 | | |
| 63 | I | 38.6 | Very low | 38.7 | Very low | 160 Ų | 160 | 144.4 Ų | 144.4 | 82% | 0.821 | 78% | 0.775 | S | S | * | * | | | | -147.8 | 127.4 | 54.1 | -70 | 150.4 | 0 | 0 | 0 | 109.2 | | |
| 64 | G | 38.4 | Very low | 38.8 | Very low | 74 Ų | 74 | 147.9 Ų | 147.9 | 76% | 0.763 | 79% | 0.786 | S | S | * | * | | | | 103.1 | 158.3 | 94.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 65 | R | 35.6 | Very low | 38.4 | Very low | 245 Ų | 245 | 142.9 Ų | 142.9 | 93% | 0.925 | 78% | 0.777 | S | S | * | * | | | cis | -161.4 | 145.9 | -6 | -170.7 | -176.1 | -169.7 | -148.2 | 4.4 | 109.8 | | |
| 66 | G | 40.2 | Very low | 38.1 | Very low | 61 Ų | 61 | 141.9 Ų | 141.9 | 63% | 0.629 | 78% | 0.776 | S | S | * | * | | | trans | 105.5 | 117.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 67 | Q | 33.5 | Very low | 37.5 | Very low | 154 Ų | 154 | 140.3 Ų | 140.3 | 72% | 0.72 | 78% | 0.776 | S | S | * | * | | | cis | 57.3 | 124.8 | 35.6 | -49.2 | 177.8 | -69.9 | 0 | 0 | 111 | V69 | Q67-V69 HydrophobicContact CB-CG2 4.32Å; Q67-V69 HydrophobicContact CG-CG2 4.44Å |
| 68 | Y | 39.7 | Very low | 37.2 | Very low | 225 Ų | 225 | 139 Ų | 139 | 88% | 0.882 | 78% | 0.779 | S | S | * | * | | | cis | -107.2 | 156.7 | 20.7 | -69.3 | -87.1 | 0 | 0 | 0 | 112 | | |
| 69 | V | 34.9 | Very low | 36.9 | Very low | 92 Ų | 92 | 139.3 Ų | 139.3 | 56% | 0.558 | 78% | 0.78 | S | S | * | * | | | cis | 58.4 | 132 | 1.4 | -74.4 | 0 | 0 | 0 | 0 | 119.8 | Q67 | Q67-V69 HydrophobicContact CB-CG2 4.32Å; Q67-V69 HydrophobicContact CG-CG2 4.44Å |
| 70 | D | 34.3 | Very low | 36.9 | Very low | 154 Ų | 154 | 138.1 Ų | 138.1 | 82% | 0.824 | 77% | 0.77 | S | S | * | * | | | cis | -98.8 | -114.2 | 15.2 | -65.7 | -73.5 | 0 | 0 | 0 | 115.8 | | |
| 71 | D | 39.7 | Very low | 36.4 | Very low | 157 Ų | 157 | 139.2 Ų | 139.2 | 84% | 0.84 | 77% | 0.767 | S | S | * | * | | | cis | -155.4 | 168.9 | 11.9 | -170.3 | 10.5 | 0 | 0 | 0 | 110.2 | | |
| 72 | D | 33.3 | Very low | 36.7 | Very low | 163 Ų | 163 | 136 Ų | 136 | 87% | 0.872 | 76% | 0.762 | S | S | * | * | | | trans | -93.4 | 166.7 | -170.3 | -86.7 | -50 | 0 | 0 | 0 | 115.8 | | |
| 73 | G | 40 | Very low | 37.1 | Very low | 71 Ų | 71 | 137.7 Ų | 137.7 | 73% | 0.732 | 76% | 0.763 | S | S | * | * | | | trans | -171.1 | 19.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 122 | S75 | G73-S75 PolarHBondContact O-N 3.18Å; G73-S75 VanDerWaalsContact O-N 3.08Å |
| 74 | N | 35.6 | Very low | 37.6 | Very low | 174 Ų | 174 | 136.2 Ų | 136.2 | 93% | 0.93 | 76% | 0.761 | S | S | * | * | | | trans | -81.1 | 84.4 | 174.4 | -175.9 | 95 | 0 | 0 | 0 | 112.2 | | |
| 75 | S | 32.3 | Very low | 38.3 | Very low | 102 Ų | 102 | 136.4 Ų | 136.4 | 71% | 0.713 | 75% | 0.748 | S | S | * | * | | | trans | -151.8 | 118.8 | 166.6 | -158.6 | 0 | 0 | 0 | 0 | 108.5 | G73 | G73-S75 PolarHBondContact O-N 3.18Å; G73-S75 VanDerWaalsContact O-N 3.08Å |
| 76 | S | 31.4 | Very low | 39.1 | Very low | 95 Ų | 95 | 130.7 Ų | 130.7 | 66% | 0.664 | 74% | 0.742 | S | S | * | * | | | | 65.6 | 129.9 | 93.7 | -146.5 | 0 | 0 | 0 | 0 | 115.5 | | |
| 77 | D | 32.7 | Very low | 39.9 | Very low | 157 Ų | 157 | 135.3 Ų | 135.3 | 84% | 0.84 | 75% | 0.748 | S | S | * | * | | | trans | 69.5 | 142 | 164.5 | -66.6 | -73.9 | 0 | 0 | 0 | 121.1 | | |
| 78 | G | 37.1 | Very low | 40.5 | Very low | 71 Ų | 71 | 133.6 Ų | 133.6 | 73% | 0.732 | 74% | 0.743 | S | S | * | * | | | trans | 93.5 | 124.8 | 168 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 79 | R | 41.8 | Very low | 41 | Very low | 221 Ų | 221 | 129.8 Ų | 129.8 | 83% | 0.834 | 74% | 0.737 | S | S | * | * | | | cis | -154 | 126.4 | -13.2 | -121.2 | -169.8 | 151.8 | 131.1 | -6.3 | 106.8 | | |
| 80 | E | 37.5 | Very low | 41.9 | Very low | 116 Ų | 116 | 130.6 Ų | 130.6 | 54% | 0.542 | 73% | 0.733 | S | S | . | * | | | | 71.3 | 101.1 | 98.2 | -172 | 163.6 | -139.6 | 0 | 0 | 116 | | |
| 81 | K | 34.2 | Very low | 42.9 | Very low | 178 Ų | 178 | 130.6 Ų | 130.6 | 77% | 0.774 | 73% | 0.726 | S | S | * | * | | | trans | 45.5 | 120.6 | 139.7 | -54 | 167.6 | -160.5 | 147 | 0 | 119.6 | | |
| 82 | A | 47.6 | Very low | 43.4 | Very low | 83 Ų | 83 | 129.3 Ų | 129.3 | 69% | 0.686 | 72% | 0.717 | S | S | * | * | | | trans | -140.6 | 40.3 | 148 | 0 | 0 | 0 | 0 | 0 | 111.6 | T84 | A82-T84 PolarHBondContact O-N 3.17Å; A82-T84 PolarHBondContact O-OG1 3.36Å |
| 83 | D | 40.7 | Very low | 44.4 | Very low | 138 Ų | 138 | 125.5 Ų | 125.5 | 74% | 0.738 | 71% | 0.708 | S | S | * | * | | | trans | -60.6 | 104.2 | 166.4 | -176.9 | 6.3 | 0 | 0 | 0 | 108 | T85 | D83-T85 VanDerWaalsContact C-N 3.28Å; D83-T85 PolarHBondContact O-N 3.35Å |
| 84 | T | 48.9 | Very low | 45.1 | Very low | 129 Ų | 129 | 127.7 Ų | 127.7 | 79% | 0.791 | 70% | 0.7 | S | S | * | * | | | trans | -97.5 | 46.8 | -156.5 | 5.8 | 0 | 0 | 0 | 0 | 112.1 | A82 | A82-T84 PolarHBondContact O-N 3.17Å; A82-T84 PolarHBondContact O-OG1 3.36Å |
| 85 | T | 53.5 | Low | 45.9 | Very low | 78 Ų | 78 | 126 Ų | 126 | 48% | 0.479 | 69% | 0.689 | S | S | . | * | | | trans | -59 | 138.4 | 161.5 | 51.1 | 0 | 0 | 0 | 0 | 109.5 | D83 E87 | D83-T85 VanDerWaalsContact C-N 3.28Å; D83-T85 PolarHBondContact O-N 3.35Å; T85-E87 PolarHBondContact O-N 3.19Å |
| 86 | P | 52.6 | Low | 47 | Very low | 125 Ų | 125 | 127.9 Ų | 127.9 | 81% | 0.812 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.5 | 11.3 | -161.4 | 29.6 | -36.9 | 0 | 0 | 0 | 115.9 | | |
| 87 | E | 55.9 | Low | 48 | Very low | 158 Ų | 158 | 130.4 Ų | 130.4 | 74% | 0.738 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.2 | -33.7 | -167 | -59.8 | -163.2 | 118.7 | 0 | 0 | 114.8 | T85 I89 | T85-E87 PolarHBondContact O-N 3.19Å; E87-I89 PolarHBondContact O-N 2.97Å |
| 88 | N | 46.4 | Very low | 48.7 | Very low | 118 Ų | 118 | 128.1 Ų | 128.1 | 63% | 0.631 | 69% | 0.692 | S | S | * | * | G | 310 helix | trans | -75 | -21 | -168 | -82.5 | -34 | 0 | 0 | 0 | 115.5 | K90 K91 | N88-K90 PolarHBondContact O-N 3.48Å; N88-K91 PolarHBondContact O-N 3.33Å |
| 89 | I | 51.4 | Low | 49.5 | Very low | 146 Ų | 146 | 130.1 Ų | 130.1 | 75% | 0.749 | 69% | 0.692 | S | S | * | * | G | 310 helix | trans | -67.2 | -21.7 | -179 | -64.6 | 176.6 | 0 | 0 | 0 | 111.6 | E87 K91 | E87-I89 PolarHBondContact O-N 2.97Å; I89-K91 VanDerWaalsContact C-N 3.3Å; I89-K91 PolarHBondContact O-N 2.96Å |
| 90 | K | 53.8 | Low | 49.5 | Very low | 108 Ų | 108 | 127.6 Ų | 127.6 | 47% | 0.47 | 70% | 0.695 | S | S | . | * | G | 310 helix | trans | -71.8 | -16.2 | -177 | -127.1 | -178.1 | 175.3 | 77.2 | 0 | 114.8 | N88 L1105 | N88-K90 PolarHBondContact O-N 3.48Å; K90-L1105 HydrophobicContact CD-CD2 4.34Å |
| 91 | K | 54.4 | Low | 49.5 | Very low | 155 Ų | 155 | 125.1 Ų | 125.1 | 67% | 0.674 | 70% | 0.701 | S | S | * | * | G | 310 helix | trans | -91 | -12.6 | -174.8 | -76.7 | -176.1 | 174.3 | 176.9 | 0 | 116 | N88 I89 I95 | N88-K91 PolarHBondContact O-N 3.33Å; I89-K91 VanDerWaalsContact C-N 3.3Å; I89-K91 PolarHBondContact O-N 2.96Å; K91-I95 WeakPolarHBondContact O-CD1 3.03Å |
| 92 | I | 49.8 | Very low | 49.7 | Very low | 130 Ų | 130 | 122.7 Ų | 122.7 | 67% | 0.667 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.9 | -26 | -178 | -60.6 | 176.7 | 0 | 0 | 0 | 111.4 | E94 | I92-E94 VanDerWaalsContact C-N 3.27Å; I92-E94 PolarHBondContact O-N 3.27Å |
| 93 | A | 54.1 | Low | 49.3 | Very low | 82 Ų | 82 | 125.6 Ų | 125.6 | 68% | 0.678 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.6 | 0.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 94 | E | 54.8 | Low | 49.2 | Very low | 118 Ų | 118 | 124.2 Ų | 124.2 | 55% | 0.551 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.7 | 13 | -174.5 | -161.7 | 153.5 | -121.9 | 0 | 0 | 112.6 | I92 K1106 | I92-E94 VanDerWaalsContact C-N 3.27Å; I92-E94 PolarHBondContact O-N 3.27Å; E94-K1106 IonicContact OE1-NZ 3.29Å; E94-K1106 PolarHBondContact OE1-NZ 3.12Å |
| 95 | I | 52.2 | Low | 48.7 | Very low | 138 Ų | 138 | 122.3 Ų | 122.3 | 71% | 0.708 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -116.8 | -3.9 | -175.8 | -62.8 | 175.6 | 0 | 0 | 0 | 112 | K91 | K91-I95 WeakPolarHBondContact O-CD1 3.03Š|
| 96 | I | 55.9 | Low | 48 | Very low | 142 Ų | 142 | 125.8 Ų | 125.8 | 73% | 0.728 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -103.8 | -24.9 | -172.8 | -62.5 | 177.8 | 0 | 0 | 0 | 113.1 | | |
| 97 | D | 53.2 | Low | 47.3 | Very low | 147 Ų | 147 | 124.4 Ų | 124.4 | 79% | 0.786 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -103.3 | 79 | 177.8 | -74.7 | -38.2 | 0 | 0 | 0 | 111.7 | | |
| 98 | S | 47.8 | Very low | 46.9 | Very low | 110 Ų | 110 | 122.3 Ų | 122.3 | 77% | 0.769 | 72% | 0.718 | S | S | * | * | | | trans | -161.9 | 98.3 | 169.1 | -76.9 | 0 | 0 | 0 | 0 | 113.7 | | |
| 99 | P | 52.1 | Low | 46.5 | Very low | 112 Ų | 112 | 124.8 Ų | 124.8 | 73% | 0.727 | 73% | 0.729 | S | S | * | * | | | trans | -96.5 | 130 | 162.8 | 34 | -28.2 | 0 | 0 | 0 | 112.5 | | |
| 100 | D | 41.9 | Very low | 46.3 | Very low | 168 Ų | 168 | 123 Ų | 123 | 90% | 0.898 | 73% | 0.728 | S | S | * | * | | | trans | 53.6 | 139.6 | 144.7 | -50 | -41.5 | 0 | 0 | 0 | 123.1 | | |
| 101 | G | 38.1 | Very low | 45.5 | Very low | 65 Ų | 65 | 123.7 Ų | 123.7 | 67% | 0.67 | 75% | 0.746 | S | S | * | * | | | trans | 118.5 | 69.4 | 162.7 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 102 | T | 39.6 | Very low | 45.1 | Very low | 127 Ų | 127 | 122.3 Ų | 122.3 | 78% | 0.779 | 75% | 0.753 | S | S | * | * | | | | 73.9 | 120.4 | 95.1 | 59.1 | 0 | 0 | 0 | 0 | 119.2 | | |
| 103 | T | 39 | Very low | 44.5 | Very low | 143 Ų | 143 | 126.3 Ų | 126.3 | 88% | 0.877 | 76% | 0.76 | S | S | * | * | | | trans | 67 | 158.3 | 155.2 | 62.1 | 0 | 0 | 0 | 0 | 120.4 | | |
| 104 | S | 37.1 | Very low | 43.8 | Very low | 110 Ų | 110 | 129.5 Ų | 129.5 | 77% | 0.769 | 76% | 0.76 | S | S | * | * | | | cis | -170.7 | 153.8 | -37.2 | -167.4 | 0 | 0 | 0 | 0 | 110.8 | | |
| 105 | A | 38.7 | Very low | 43.2 | Very low | 88 Ų | 88 | 129.3 Ų | 129.3 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | | | trans | 66.2 | 159.8 | 165 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 106 | N | 38.9 | Very low | 42.6 | Very low | 152 Ų | 152 | 130.6 Ų | 130.6 | 81% | 0.813 | 77% | 0.77 | S | S | * | * | | | cis | -148.6 | 178.2 | -8.2 | -140.7 | -9.7 | 0 | 0 | 0 | 114.4 | | |
| 107 | S | 39.4 | Very low | 41.8 | Very low | 95 Ų | 95 | 130.5 Ų | 130.5 | 66% | 0.664 | 77% | 0.77 | S | S | * | * | | | trans | -43.4 | 167.6 | -174 | 46.3 | 0 | 0 | 0 | 0 | 123.4 | | |
| 108 | P | 46.3 | Very low | 41.1 | Very low | 115 Ų | 115 | 133.9 Ų | 133.9 | 75% | 0.747 | 77% | 0.772 | S | S | * | * | | | trans | -113.5 | 179.9 | 178 | 43.7 | -35 | 0 | 0 | 0 | 114.9 | | |
| 109 | I | 38.9 | Very low | 40.5 | Very low | 169 Ų | 169 | 135 Ų | 135 | 87% | 0.867 | 77% | 0.769 | S | S | * | * | | | trans | -171 | 156.1 | 146.6 | -104.7 | 153.9 | 0 | 0 | 0 | 113.5 | | |
| 110 | P | 46.7 | Very low | 40.3 | Very low | 109 Ų | 109 | 134.6 Ų | 134.6 | 71% | 0.708 | 77% | 0.766 | S | S | * | * | | | trans | -126.9 | 173.5 | -173.2 | 43.4 | -30.5 | 0 | 0 | 0 | 116.8 | | |
| 111 | S | 37.8 | Very low | 40 | Very low | 122 Ų | 122 | 134.5 Ų | 134.5 | 85% | 0.853 | 76% | 0.763 | S | S | * | * | | | trans | -174.7 | 143.7 | 150.9 | -84.8 | 0 | 0 | 0 | 0 | 115.3 | | |
| 112 | P | 44.3 | Very low | 39.8 | Very low | 127 Ų | 127 | 138.8 Ų | 138.8 | 83% | 0.825 | 77% | 0.77 | S | S | * | * | | | trans | -118 | 177 | 169.6 | 41.5 | -31.6 | 0 | 0 | 0 | 113.7 | | |
| 113 | R | 37.9 | Very low | 40.2 | Very low | 214 Ų | 214 | 138.4 Ų | 138.4 | 81% | 0.808 | 77% | 0.77 | S | S | * | * | | | trans | -158.4 | 143.1 | 171.9 | -130.4 | -172.8 | 168.9 | 133.6 | 2.4 | 117 | | |
| 114 | H | 39.7 | Very low | 40.1 | Very low | 149 Ų | 149 | 134.5 Ų | 134.5 | 69% | 0.69 | 76% | 0.758 | S | S | * | * | | | trans | 66.9 | 158.6 | 160.9 | -66.2 | 174.4 | 0 | 0 | 0 | 115.9 | | |
| 115 | V | 42.5 | Very low | 40.2 | Very low | 113 Ų | 113 | 134.5 Ų | 134.5 | 69% | 0.685 | 74% | 0.744 | S | S | * | * | | | cis | -158.1 | -178.2 | -11.9 | -98.3 | 0 | 0 | 0 | 0 | 107 | | |
| 116 | Q | 39.5 | Very low | 40.5 | Very low | 165 Ų | 165 | 134.5 Ų | 134.5 | 77% | 0.771 | 74% | 0.735 | S | S | * | * | | | cis | -144.5 | -119.2 | 12.5 | -159.5 | 130.6 | -57.1 | 0 | 0 | 113.7 | | |
| 117 | L | 38 | Very low | 40.7 | Very low | 140 Ų | 140 | 129.9 Ų | 129.9 | 73% | 0.733 | 72% | 0.723 | S | S | * | * | | | trans | -143.8 | 165.2 | -159.1 | -98.3 | 69.5 | 0 | 0 | 0 | 109.7 | | |
| 118 | R | 38.6 | Very low | 40.8 | Very low | 218 Ų | 218 | 134.7 Ų | 134.7 | 82% | 0.823 | 74% | 0.74 | S | S | * | * | | | cis | -138 | 168.8 | 3.2 | -104.5 | 176.6 | 172.6 | 176.7 | -2.6 | 107.9 | | |
| 119 | N | 35.4 | Very low | 40.4 | Very low | 135 Ų | 135 | 132.4 Ų | 132.4 | 72% | 0.722 | 74% | 0.738 | S | S | * | * | | | cis | 92.9 | 144.2 | 35.2 | -53.8 | 113.3 | 0 | 0 | 0 | 116.4 | | |
| 120 | P | 47.1 | Very low | 40.5 | Very low | 102 Ų | 102 | 129.6 Ų | 129.6 | 66% | 0.662 | 74% | 0.74 | S | S | * | * | | | trans | -141.3 | -165.8 | -142.6 | 37.3 | -13.6 | 0 | 0 | 0 | 118 | | |
| 121 | M | 36.9 | Very low | 40.2 | Very low | 167 Ų | 167 | 128.5 Ų | 128.5 | 82% | 0.823 | 74% | 0.74 | S | S | * | * | | | trans | 115.6 | 114.4 | 150.5 | -58.9 | -56.6 | -172.1 | 0 | 0 | 121.9 | | |
| 122 | N | 33.8 | Very low | 40.6 | Very low | 154 Ų | 154 | 130.5 Ų | 130.5 | 82% | 0.824 | 74% | 0.739 | S | S | * | * | | | | 51.5 | 169.3 | 122.9 | -121.4 | 27 | 0 | 0 | 0 | 124.7 | | |
| 123 | P | 47 | Very low | 40.4 | Very low | 119 Ų | 119 | 131.4 Ų | 131.4 | 77% | 0.773 | 74% | 0.737 | S | S | * | * | | | | -132.7 | 176 | -97.4 | 43.5 | -25.3 | 0 | 0 | 0 | 119.9 | | |
| 124 | G | 37.9 | Very low | 40.5 | Very low | 61 Ų | 61 | 127.8 Ų | 127.8 | 63% | 0.629 | 73% | 0.734 | S | S | * | * | | | trans | 159.5 | 177.8 | 169.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 125 | F | 39.9 | Very low | 40.5 | Very low | 110 Ų | 110 | 125.3 Ų | 125.3 | 48% | 0.482 | 73% | 0.733 | S | S | . | * | | | cis | 163.3 | 129.4 | -19.5 | -176 | -127.6 | 0 | 0 | 0 | 111.5 | S387 A388 E389 | F125-S387 VanDerWaalsContact CE2-CA 3.41Å; F125-S387 VanDerWaalsContact CZ-OG 3.23Å; F125-S387 WeakPolarHBondContact CZ-OG 3.31Å; F125-A388 VanDerWaalsContact CD2-N 3.33Å; F125-A388 VanDerWaalsContact CE2-N 3.28Å; F125-E389 VanDerWaalsContact CA-CD 3.46Å; F125-E389 WeakPolarHBondContact CA-OE2 3.07Å; F125-E389 PolarHBondContact N-OE2 3Å |
| 126 | V | 43.7 | Very low | 40.4 | Very low | 89 Ų | 89 | 125.9 Ų | 125.9 | 54% | 0.539 | 74% | 0.741 | S | S | . | * | | | cis | -159.1 | 171.7 | -3.6 | -104 | 0 | 0 | 0 | 0 | 110.7 | E389 | V126-E389 WeakPolarHBondContact CA-OE1 3.34Å; V126-E389 HydrophobicContact CB-CG 4.22Å; V126-E389 HydrophobicContact CG1-CG 3.81Å; V126-E389 PolarHBondContact N-OE1 3.33Å |
| 127 | G | 42.5 | Very low | 40.6 | Very low | 55 Ų | 55 | 121.2 Ų | 121.2 | 57% | 0.567 | 74% | 0.738 | S | S | * | * | | | cis | 163.2 | -171 | 2.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 128 | L | 42.5 | Very low | 40.8 | Very low | 195 Ų | 195 | 123.9 Ų | 123.9 | 100% | 1.021 | 74% | 0.743 | S | S | * | * | | | trans | 84.4 | 154.6 | 177.1 | -56.6 | 160.5 | 0 | 0 | 0 | 118.7 | | |
| 129 | G | 38.3 | Very low | 40.9 | Very low | 67 Ų | 67 | 123 Ų | 123 | 69% | 0.691 | 75% | 0.746 | S | S | * | * | | | cis | 163.3 | 142.3 | -14.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 130 | A | 40.4 | Very low | 41.1 | Very low | 110 Ų | 110 | 121.7 Ų | 121.7 | 91% | 0.909 | 75% | 0.746 | S | S | * | * | | | trans | 64.6 | 162.9 | 165.9 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 131 | A | 41.1 | Very low | 40.9 | Very low | 86 Ų | 86 | 125.3 Ų | 125.3 | 71% | 0.711 | 76% | 0.759 | S | S | * | * | | | cis | -172.3 | -179.8 | -29.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 132 | I | 44.9 | Very low | 41 | Very low | 164 Ų | 164 | 120.8 Ų | 120.8 | 84% | 0.841 | 76% | 0.755 | S | S | * | * | | | trans | 73.7 | 127 | 175.2 | -49.2 | 169.7 | 0 | 0 | 0 | 112.8 | | |
| 133 | D | 40.5 | Very low | 41.4 | Very low | 146 Ų | 146 | 123.4 Ų | 123.4 | 78% | 0.781 | 76% | 0.759 | S | S | * | * | | | cis | 107 | 142.2 | 21.2 | -163.5 | 32.9 | 0 | 0 | 0 | 114.4 | | |
| 134 | D | 40.8 | Very low | 41.6 | Very low | 139 Ų | 139 | 123 Ų | 123 | 74% | 0.743 | 76% | 0.756 | S | S | * | * | | | trans | 43.9 | 128.4 | 174 | -114.9 | -17.6 | 0 | 0 | 0 | 125.3 | | |
| 135 | S | 39.7 | Very low | 41.7 | Very low | 96 Ų | 96 | 125.4 Ų | 125.4 | 67% | 0.671 | 76% | 0.761 | S | S | * | * | | | trans | 16 | 118.6 | 137.5 | -170.8 | 0 | 0 | 0 | 0 | 121.8 | | |
| 136 | C | 40 | Very low | 42.9 | Very low | 125 Ų | 125 | 126.6 Ų | 126.6 | 85% | 0.845 | 78% | 0.78 | S | S | * | * | | | | 168.9 | 156.9 | 122.7 | -92.4 | 0 | 0 | 0 | 0 | 114.6 | | |
| 137 | G | 44.4 | Very low | 43.2 | Very low | 68 Ų | 68 | 127.4 Ų | 127.4 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | | | trans | 74.5 | 121.4 | 164.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 138 | K | 42.2 | Very low | 43.1 | Very low | 195 Ų | 195 | 129.8 Ų | 129.8 | 85% | 0.848 | 79% | 0.794 | S | S | * | * | | | | 42.5 | 106.7 | 62.3 | -61.1 | -174.2 | 179.2 | -179.8 | 0 | 113.3 | | |
| 139 | F | 39.9 | Very low | 42.9 | Very low | 200 Ų | 200 | 125.3 Ų | 125.3 | 88% | 0.877 | 79% | 0.786 | S | S | * | * | | | | -163 | 173.6 | 100.9 | -102.7 | -68.7 | 0 | 0 | 0 | 111.6 | | |
| 140 | C | 38.8 | Very low | 42.9 | Very low | 107 Ų | 107 | 129.4 Ų | 129.4 | 72% | 0.723 | 79% | 0.787 | S | S | * | * | | | trans | -93.6 | -164.8 | -161 | -51.9 | 0 | 0 | 0 | 0 | 113.8 | | |
| 141 | L | 42.9 | Very low | 42.7 | Very low | 178 Ų | 178 | 132 Ų | 132 | 93% | 0.932 | 78% | 0.778 | S | S | * | * | | | trans | 79 | 107.3 | -178.6 | -47.3 | 167.2 | 0 | 0 | 0 | 113.1 | | |
| 142 | G | 40.4 | Very low | 42.4 | Very low | 72 Ų | 72 | 131.9 Ų | 131.9 | 74% | 0.742 | 78% | 0.777 | S | S | * | * | | | cis | 110.5 | 116.5 | 2.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 143 | K | 41.5 | Very low | 41.9 | Very low | 210 Ų | 210 | 129.1 Ų | 129.1 | 91% | 0.913 | 78% | 0.779 | S | S | * | * | | | trans | -161 | 152.9 | 161.2 | -108.1 | 151 | -172.8 | 172.8 | 0 | 110.8 | | |
| 144 | P | 51.2 | Low | 41.8 | Very low | 109 Ų | 109 | 126.9 Ų | 126.9 | 71% | 0.708 | 78% | 0.78 | S | S | * | * | | | trans | -95 | 170.5 | -156.6 | 37.2 | -37 | 0 | 0 | 0 | 114.6 | | |
| 145 | P | 41.1 | Very low | 41.7 | Very low | 112 Ų | 112 | 123.7 Ų | 123.7 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | | | trans | -62.9 | 151.9 | 169.5 | 27.9 | -36.6 | 0 | 0 | 0 | 112.4 | S147 | P145-S147 PolarHBondContact O-N 3.44Å; P145-S147 VanDerWaalsContact O-N 3.12Å |
| 146 | P | 64.4 | Low | 41.8 | Very low | 136 Ų | 136 | 128.2 Ų | 128.2 | 88% | 0.883 | 78% | 0.784 | S | S | * | * | | | trans | -71.8 | 106.8 | -178.5 | 28.2 | -34.2 | 0 | 0 | 0 | 112.4 | | |
| 147 | S | 49.7 | Very low | 41.6 | Very low | 105 Ų | 105 | 127.2 Ų | 127.2 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | | | trans | -61.6 | 158.8 | 166.4 | 50.7 | 0 | 0 | 0 | 0 | 112.5 | P145 | P145-S147 PolarHBondContact O-N 3.44Å; P145-S147 VanDerWaalsContact O-N 3.12Å |
| 148 | P | 41.3 | Very low | 41.3 | Very low | 105 Ų | 105 | 135.4 Ų | 135.4 | 68% | 0.682 | 79% | 0.788 | S | S | * | * | | | trans | -78.7 | 153.2 | 178.4 | 32.6 | -35.4 | 0 | 0 | 0 | 113.7 | | |
| 149 | A | 37.8 | Very low | 41.1 | Very low | 102 Ų | 102 | 130.3 Ų | 130.3 | 84% | 0.843 | 78% | 0.783 | S | S | * | * | | | trans | 65.5 | 117.9 | 156.4 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 150 | E | 37.1 | Very low | 41.1 | Very low | 152 Ų | 152 | 127.4 Ų | 127.4 | 71% | 0.71 | 78% | 0.776 | S | S | * | * | | | | -155.8 | 150.5 | 127.1 | -127.2 | -135.6 | 129 | 0 | 0 | 111.9 | | |
| 151 | K | 36.7 | Very low | 41.2 | Very low | 164 Ų | 164 | 129.5 Ų | 129.5 | 71% | 0.713 | 78% | 0.775 | S | S | * | * | | | trans | 56.7 | 148.4 | 166.5 | -65.3 | 175.2 | 171.8 | 67.3 | 0 | 119.4 | | |
| 152 | A | 35 | Very low | 41.1 | Very low | 85 Ų | 85 | 127.8 Ų | 127.8 | 70% | 0.702 | 76% | 0.762 | S | S | * | * | | | cis | -167.3 | 148.1 | -25.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 153 | A | 35.4 | Very low | 40.9 | Very low | 106 Ų | 106 | 132.8 Ų | 132.8 | 88% | 0.876 | 77% | 0.766 | S | S | * | * | | | trans | 61.7 | 142.4 | 168.9 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 154 | A | 37.7 | Very low | 40.7 | Very low | 98 Ų | 98 | 125.5 Ų | 125.5 | 81% | 0.81 | 75% | 0.751 | S | S | * | * | | | cis | -163.2 | -175.4 | -18.6 | 0 | 0 | 0 | 0 | 0 | 106.9 | | |
| 155 | A | 37.7 | Very low | 40.2 | Very low | 73 Ų | 73 | 127.1 Ų | 127.1 | 60% | 0.603 | 76% | 0.759 | S | S | * | * | | | cis | -157.6 | 163.1 | 3.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 156 | Q | 42 | Very low | 40.1 | Very low | 191 Ų | 191 | 127.5 Ų | 127.5 | 89% | 0.893 | 76% | 0.762 | S | S | * | * | | | trans | 62.5 | 138.2 | 158.6 | -55.6 | 164.1 | 13.8 | 0 | 0 | 117.7 | | |
| 157 | S | 36.9 | Very low | 39 | Very low | 104 Ų | 104 | 127 Ų | 127 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | | | cis | -168.2 | 163.4 | -24 | 60.9 | 0 | 0 | 0 | 0 | 105.3 | | |
| 158 | R | 36.7 | Very low | 38.1 | Very low | 239 Ų | 239 | 125.7 Ų | 125.7 | 90% | 0.902 | 76% | 0.761 | S | S | * | * | | | cis | -152.2 | 174.1 | 21.1 | -64.7 | 179.7 | -176.8 | -179.4 | -0.6 | 106.9 | | |
| 159 | A | 39.6 | Very low | 37.5 | Very low | 89 Ų | 89 | 127.8 Ų | 127.8 | 74% | 0.736 | 77% | 0.767 | S | S | * | * | | | cis | -168.9 | -176.3 | -27 | 0 | 0 | 0 | 0 | 0 | 107.4 | | |
| 160 | N | 39.1 | Very low | 37.3 | Very low | 138 Ų | 138 | 126.3 Ų | 126.3 | 74% | 0.738 | 75% | 0.75 | S | S | * | * | | | trans | 64.8 | 116 | -167.3 | -72.6 | -14.1 | 0 | 0 | 0 | 113.7 | | |
| 161 | Q | 41.5 | Very low | 36.9 | Very low | 152 Ų | 152 | 126.1 Ų | 126.1 | 71% | 0.71 | 75% | 0.754 | S | S | * | * | | | | 75.2 | 130.9 | 51.7 | -63.8 | -171 | 113.5 | 0 | 0 | 113.1 | | |
| 162 | Q | 40.6 | Very low | 36.8 | Very low | 141 Ų | 141 | 123.6 Ų | 123.6 | 66% | 0.659 | 76% | 0.757 | S | S | * | * | | | cis | -166.6 | 155.2 | -8.5 | -120.8 | 177.4 | 21 | 0 | 0 | 109.4 | | |
| 163 | H | 36.9 | Very low | 36.8 | Very low | 177 Ų | 177 | 123.8 Ų | 123.8 | 82% | 0.819 | 75% | 0.754 | S | S | * | * | | | trans | 41.9 | 146.8 | 160.8 | -59.9 | -74.1 | 0 | 0 | 0 | 121.2 | | |
| 164 | G | 36.1 | Very low | 36.6 | Very low | 58 Ų | 58 | 126.1 Ų | 126.1 | 60% | 0.598 | 75% | 0.751 | S | S | * | * | | | cis | 170.6 | 177.1 | -2.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 165 | T | 40.8 | Very low | 36.5 | Very low | 143 Ų | 143 | 125.1 Ų | 125.1 | 88% | 0.877 | 74% | 0.738 | S | S | * | * | | | trans | 61.6 | 132.1 | 165 | 48.8 | 0 | 0 | 0 | 0 | 121.7 | | |
| 166 | P | 38.8 | Very low | 36.3 | Very low | 120 Ų | 120 | 127.4 Ų | 127.4 | 78% | 0.779 | 74% | 0.741 | S | S | * | * | | | trans | -99.7 | -165.1 | 161.8 | 44.5 | -36.7 | 0 | 0 | 0 | 110.2 | | |
| 167 | P | 40.9 | Very low | 36 | Very low | 124 Ų | 124 | 126 Ų | 126 | 81% | 0.805 | 73% | 0.734 | S | S | * | * | | | cis | -130 | -172.1 | -6.1 | 43.6 | -27.5 | 0 | 0 | 0 | 114.4 | | |
| 168 | G | 32.6 | Very low | 36.2 | Very low | 78 Ų | 78 | 129.6 Ų | 129.6 | 80% | 0.804 | 74% | 0.736 | S | S | * | * | | | trans | 75 | -174.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 169 | N | 28.1 | Very low | 36.3 | Very low | 149 Ų | 149 | 123.1 Ų | 123.1 | 80% | 0.797 | 73% | 0.727 | S | S | * | * | | | cis | -155.8 | 167.1 | -19.4 | -172.1 | 23.1 | 0 | 0 | 0 | 107.9 | | |
| 170 | S | 32.7 | Very low | 36.3 | Very low | 71 Ų | 71 | 123 Ų | 123 | 50% | 0.497 | 73% | 0.727 | S | S | . | * | | | trans | 39.9 | 120.9 | 148.3 | 61.9 | 0 | 0 | 0 | 0 | 121.1 | | |
| 171 | N | 29.9 | Very low | 36.2 | Very low | 149 Ų | 149 | 121.4 Ų | 121.4 | 80% | 0.797 | 73% | 0.733 | S | S | * | * | | | trans | 68.2 | 155.1 | 135.7 | -59.5 | -10.4 | 0 | 0 | 0 | 120.5 | | |
| 172 | S | 34.6 | Very low | 36.2 | Very low | 111 Ų | 111 | 118 Ų | 118 | 78% | 0.776 | 73% | 0.731 | S | S | * | * | | | trans | 67.9 | 155.3 | 146.5 | 69.9 | 0 | 0 | 0 | 0 | 117.8 | | |
| 173 | S | 34.3 | Very low | 36.5 | Very low | 89 Ų | 89 | 117 Ų | 117 | 62% | 0.622 | 73% | 0.734 | S | S | * | * | | | cis | -175 | 149.1 | -29.5 | 53.3 | 0 | 0 | 0 | 0 | 105.9 | | |
| 174 | N | 31.8 | Very low | 36.7 | Very low | 154 Ų | 154 | 115.4 Ų | 115.4 | 82% | 0.824 | 73% | 0.727 | S | S | * | * | | | trans | 62.7 | 166.6 | 161.7 | -69.9 | -10.4 | 0 | 0 | 0 | 114.4 | | |
| 175 | S | 34.4 | Very low | 37 | Very low | 77 Ų | 77 | 120.7 Ų | 120.7 | 54% | 0.538 | 74% | 0.736 | S | S | . | * | | | cis | -166.4 | 168.7 | -29.4 | 53.4 | 0 | 0 | 0 | 0 | 107.3 | | |
| 176 | N | 34.1 | Very low | 37 | Very low | 122 Ų | 122 | 122.2 Ų | 122.2 | 65% | 0.652 | 73% | 0.733 | S | S | * | * | | | trans | 67.1 | 157.7 | 156.3 | -57.8 | -11.2 | 0 | 0 | 0 | 115.5 | | |
| 177 | H | 35.5 | Very low | 36.7 | Very low | 161 Ų | 161 | 122.7 Ų | 122.7 | 75% | 0.745 | 73% | 0.729 | S | S | * | * | | | cis | -149.1 | 176.9 | -28.1 | -95.5 | -34.8 | 0 | 0 | 0 | 103.7 | | |
| 178 | K | 40.7 | Very low | 36.2 | Very low | 179 Ų | 179 | 121.4 Ų | 121.4 | 78% | 0.778 | 72% | 0.723 | S | S | * | * | | | cis | -174.3 | 157.4 | 38.2 | -161 | -173.7 | 178 | -173.9 | 0 | 108.9 | | |
| 179 | S | 40.5 | Very low | 36 | Very low | 103 Ų | 103 | 122.5 Ų | 122.5 | 72% | 0.72 | 72% | 0.718 | S | S | * | * | | | trans | 54.1 | 136 | 151.1 | 47.6 | 0 | 0 | 0 | 0 | 119.7 | | |
| 180 | A | 38.9 | Very low | 36.3 | Very low | 88 Ų | 88 | 124 Ų | 124 | 73% | 0.727 | 72% | 0.721 | S | S | * | * | | | cis | -155.4 | 147.1 | -4.5 | 0 | 0 | 0 | 0 | 0 | 107.3 | | |
| 181 | A | 37.5 | Very low | 36.3 | Very low | 104 Ų | 104 | 126 Ų | 126 | 86% | 0.86 | 73% | 0.734 | S | S | * | * | | | | 49.9 | 141.4 | 88.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 182 | A | 41.4 | Very low | 36.5 | Very low | 81 Ų | 81 | 125.3 Ų | 125.3 | 67% | 0.669 | 73% | 0.73 | S | S | * | * | | | cis | -142.4 | 149.8 | 12.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 183 | V | 45.3 | Very low | 36.5 | Very low | 120 Ų | 120 | 125.7 Ų | 125.7 | 73% | 0.727 | 73% | 0.729 | S | S | * | * | | | | 37.9 | 144.7 | 86.4 | -57.3 | 0 | 0 | 0 | 0 | 115.9 | | |
| 184 | E | 41.5 | Very low | 36.5 | Very low | 143 Ų | 143 | 126.7 Ų | 126.7 | 67% | 0.668 | 73% | 0.731 | S | S | * | * | | | cis | -138.5 | 171.3 | 24.4 | -74.1 | -65.7 | 172.8 | 0 | 0 | 114.4 | | |
| 185 | E | 42.5 | Very low | 36.7 | Very low | 169 Ų | 169 | 124.7 Ų | 124.7 | 79% | 0.79 | 72% | 0.724 | S | S | * | * | | | trans | 46.5 | 163.4 | 138.2 | -70.1 | 173.3 | 164 | 0 | 0 | 122.7 | | |
| 186 | E | 40.9 | Very low | 36.9 | Very low | 175 Ų | 175 | 130.2 Ų | 130.2 | 82% | 0.818 | 74% | 0.739 | S | S | * | * | | | cis | -138.6 | -159.6 | -3.9 | -140.7 | -144.8 | 135.9 | 0 | 0 | 112.3 | | |
| 187 | N | 32 | Very low | 37.3 | Very low | 130 Ų | 130 | 129 Ų | 129 | 70% | 0.695 | 75% | 0.745 | S | S | * | * | | | trans | -111.1 | 160.8 | -162.8 | -172.4 | 18.7 | 0 | 0 | 0 | 114.4 | | |
| 188 | S | 30.3 | Very low | 37.4 | Very low | 96 Ų | 96 | 127.3 Ų | 127.3 | 67% | 0.671 | 75% | 0.752 | S | S | * | * | | | trans | 67 | 149.8 | 170.3 | 10.1 | 0 | 0 | 0 | 0 | 117.1 | | |
| 189 | S | 30.3 | Very low | 37.2 | Very low | 102 Ų | 102 | 125.9 Ų | 125.9 | 71% | 0.713 | 75% | 0.752 | S | S | * | * | | | cis | -165.8 | 167.2 | -11.1 | 45.9 | 0 | 0 | 0 | 0 | 112.1 | | |
| 190 | E | 32.8 | Very low | 36.9 | Very low | 181 Ų | 181 | 125.1 Ų | 125.1 | 85% | 0.846 | 75% | 0.751 | S | S | * | * | | | trans | 65.2 | 109 | 160.6 | -60.3 | -165.9 | 139.7 | 0 | 0 | 121.2 | | |
| 191 | S | 33.3 | Very low | 36.9 | Very low | 111 Ų | 111 | 129.2 Ų | 129.2 | 78% | 0.776 | 75% | 0.753 | S | S | * | * | | | | 137.8 | 142.9 | 108.5 | 73.4 | 0 | 0 | 0 | 0 | 119.2 | | |
| 192 | N | 34.1 | Very low | 37.3 | Very low | 135 Ų | 135 | 131.2 Ų | 131.2 | 72% | 0.722 | 76% | 0.755 | S | S | * | * | | | trans | 55.5 | 90.3 | 145.5 | -71.3 | -23.9 | 0 | 0 | 0 | 125.4 | | |
| 193 | T | 33.4 | Very low | 37.4 | Very low | 120 Ų | 120 | 134 Ų | 134 | 74% | 0.736 | 76% | 0.757 | S | S | * | * | | | | 68 | 158.2 | 118.7 | 76.3 | 0 | 0 | 0 | 0 | 124 | | |
| 194 | T | 35.8 | Very low | 37.2 | Very low | 109 Ų | 109 | 135.8 Ų | 135.8 | 67% | 0.669 | 76% | 0.762 | S | S | * | * | | | trans | 91.3 | 78.2 | 144.5 | -51.6 | 0 | 0 | 0 | 0 | 120.5 | | |
| 195 | T | 35.6 | Very low | 37.2 | Very low | 112 Ų | 112 | 135.1 Ų | 135.1 | 69% | 0.687 | 76% | 0.759 | S | S | * | * | | | trans | 75.8 | 140.3 | 138.5 | 71.6 | 0 | 0 | 0 | 0 | 122.6 | | |
| 196 | K | 38.3 | Very low | 36.9 | Very low | 194 Ų | 194 | 135.9 Ų | 135.9 | 84% | 0.843 | 76% | 0.76 | S | S | * | * | | | trans | 70.1 | 104.6 | 155.5 | -64.4 | 157.1 | -174.7 | 167.1 | 0 | 118.9 | | |
| 197 | A | 41.8 | Very low | 36.8 | Very low | 95 Ų | 95 | 134.7 Ų | 134.7 | 79% | 0.785 | 76% | 0.76 | S | S | * | * | | | trans | 54.5 | 107.4 | 132.6 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 198 | S | 38.6 | Very low | 37 | Very low | 126 Ų | 126 | 132.2 Ų | 132.2 | 88% | 0.881 | 76% | 0.757 | S | S | * | * | | | | -160.5 | 178.6 | 123 | -85 | 0 | 0 | 0 | 0 | 110.5 | | |
| 199 | L | 36.6 | Very low | 37.9 | Very low | 150 Ų | 150 | 131.7 Ų | 131.7 | 79% | 0.785 | 75% | 0.754 | S | S | * | * | | | trans | -98.8 | 126.4 | -178 | -61 | 85.3 | 0 | 0 | 0 | 111.3 | F201 | L199-F201 HydrophobicContact CB-CE1 4.44Å; L199-F201 HydrophobicContact CB-CZ 4.33Å |
| 200 | A | 34.9 | Very low | 39 | Very low | 86 Ų | 86 | 135.4 Ų | 135.4 | 71% | 0.711 | 76% | 0.76 | S | S | * | * | | | trans | -156.7 | 115.6 | 148 | 0 | 0 | 0 | 0 | 0 | 107.4 | | |
| 201 | F | 37.8 | Very low | 39.8 | Very low | 175 Ų | 175 | 134.2 Ų | 134.2 | 77% | 0.768 | 76% | 0.759 | S | S | * | * | | | | 67.4 | 74.5 | 79.3 | -41.2 | -36.3 | 0 | 0 | 0 | 113.8 | L199 | L199-F201 HydrophobicContact CB-CE1 4.44Å; L199-F201 HydrophobicContact CB-CZ 4.33Å |
| 202 | T | 45.2 | Very low | 41 | Very low | 145 Ų | 145 | 132.2 Ų | 132.2 | 89% | 0.89 | 74% | 0.74 | S | S | * | * | | | trans | -120.3 | 136.7 | 144.3 | 46.9 | 0 | 0 | 0 | 0 | 107.9 | | |
| 203 | I | 45 | Very low | 43 | Very low | 141 Ų | 141 | 129.6 Ų | 129.6 | 72% | 0.723 | 73% | 0.732 | S | S | * | * | | | trans | -129.5 | 95.8 | -179.2 | -58.8 | 176 | 0 | 0 | 0 | 107.2 | | |
| 204 | D | 40.8 | Very low | 45.1 | Very low | 156 Ų | 156 | 127.6 Ų | 127.6 | 83% | 0.834 | 73% | 0.727 | S | S | * | * | | | trans | -159.2 | 137.4 | 166.4 | -104.1 | -48.7 | 0 | 0 | 0 | 108.5 | | |
| 205 | H | 41.4 | Very low | 47.2 | Very low | 129 Ų | 129 | 124.3 Ų | 124.3 | 60% | 0.597 | 71% | 0.711 | S | S | * | * | | | cis | -169.7 | 106 | -39.4 | -118.5 | -85.9 | 0 | 0 | 0 | 102 | | |
| 206 | F | 35.7 | Very low | 49.3 | Very low | 185 Ų | 185 | 125.1 Ų | 125.1 | 81% | 0.811 | 71% | 0.707 | S | S | * | * | | | trans | 39.4 | 101.3 | 162.9 | -54.2 | -91.4 | 0 | 0 | 0 | 120.4 | | |
| 207 | D | 39.5 | Very low | 51.6 | Low | 151 Ų | 151 | 118.7 Ų | 118.7 | 81% | 0.807 | 69% | 0.69 | S | S | * | * | | | | -146.6 | 96.1 | 114.7 | -155.6 | -19.6 | 0 | 0 | 0 | 110.1 | | |
| 208 | A | 36.7 | Very low | 53.7 | Low | 78 Ų | 78 | 116.9 Ų | 116.9 | 65% | 0.645 | 68% | 0.676 | S | S | * | * | | | trans | -122 | 54.9 | -169.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 209 | S | 47.8 | Very low | 56 | Low | 85 Ų | 85 | 119.5 Ų | 119.5 | 59% | 0.594 | 67% | 0.666 | S | S | * | * | | | trans | -78.2 | 131.6 | 179.1 | 38.2 | 0 | 0 | 0 | 0 | 112.6 | N211 | S209-N211 VanDerWaalsContact C-N 3.29Å; S209-N211 PolarHBondContact O-N 2.85Å |
| 210 | E | 53.4 | Low | 58.6 | Low | 180 Ų | 180 | 119.4 Ų | 119.4 | 84% | 0.841 | 66% | 0.656 | S | S | * | * | S | Bend | trans | 53.4 | -50.8 | 174 | -58.9 | -162.2 | 109.9 | 0 | 0 | 119.5 | D212 S213 | E210-D212 PolarHBondContact O-N 3.08Å; E210-S213 WeakPolarHBondContact O-CB 3.18Å; E210-S213 PolarHBondContact O-N 3.47Å; E210-S213 VanDerWaalsContact O-N 3.14Å |
| 211 | N | 49.1 | Very low | 61.3 | Low | 155 Ų | 155 | 122.4 Ų | 122.4 | 83% | 0.829 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.8 | -23.1 | -169.3 | -84.8 | -63.5 | 0 | 0 | 0 | 115 | S209 S213 | S209-N211 VanDerWaalsContact C-N 3.29Å; S209-N211 PolarHBondContact O-N 2.85Å; N211-S213 PolarHBondContact O-N 3.17Å |
| 212 | D | 59.7 | Low | 63.8 | Low | 70 Ų | 70 | 117.7 Ų | 117.7 | 37% | 0.374 | 64% | 0.636 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.6 | -12.5 | 175.1 | -162.1 | 52.7 | 0 | 0 | 0 | 112.5 | E210 A214 A215 Q216 | E210-D212 PolarHBondContact O-N 3.08Å; D212-A214 VanDerWaalsContact C-N 3.28Å; D212-A214 PolarHBondContact O-N 3.27Å; D212-A214 VanDerWaalsContact O-N 3.16Å; D212-A215 CarbonylContact O-C 3.37Å; D212-A215 WeakPolarHBondContact O-CA 3.45Å; D212-A215 PolarHBondContact O-N 3.37Å; D212-A215 WeakPolarHBondContact OD1-CB 3.28Å; D212-Q216 WeakPolarHBondContact O-CB 3.43Å; D212-Q216 PolarHBondContact O-N 3.05Å |
| 213 | S | 76.1 | Confident | 66 | Low | 80 Ų | 80 | 116.7 Ų | 116.7 | 56% | 0.559 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -52.2 | -42 | -178.6 | 179.5 | 0 | 0 | 0 | 0 | 113.3 | E210 N211 A217 | E210-S213 WeakPolarHBondContact O-CB 3.18Å; E210-S213 PolarHBondContact O-N 3.47Å; E210-S213 VanDerWaalsContact O-N 3.14Å; N211-S213 PolarHBondContact O-N 3.17Å; S213-A217 WeakPolarHBondContact O-CB 3.31Å; S213-A217 PolarHBondContact O-N 2.87Å |
| 214 | A | 78.1 | Confident | 68.2 | Low | 77 Ų | 77 | 113.4 Ų | 113.4 | 64% | 0.636 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -68 | -36.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113 | D212 A218 | D212-A214 VanDerWaalsContact C-N 3.28Å; D212-A214 PolarHBondContact O-N 3.27Å; D212-A214 VanDerWaalsContact O-N 3.16Å; A214-A218 WeakPolarHBondContact O-CB 2.95Å; A214-A218 PolarHBondContact O-N 3.18Å |
| 215 | A | 79 | Confident | 70.6 | Confident | 41 Ų | 41 | 110.8 Ų | 110.8 | 34% | 0.339 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -77.6 | -36.2 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | D212 A218 R219 | D212-A215 CarbonylContact O-C 3.37Å; D212-A215 WeakPolarHBondContact O-CA 3.45Å; D212-A215 PolarHBondContact O-N 3.37Å; D212-A215 WeakPolarHBondContact OD1-CB 3.28Å; A215-A218 PolarHBondContact O-N 3.25Å; A215-R219 WeakPolarHBondContact O-CB 3.48Å; A215-R219 VanDerWaalsContact O-CG 3.29Å; A215-R219 WeakPolarHBondContact O-CG 3.09Å; A215-R219 PolarHBondContact O-N 2.88Å |
| 216 | Q | 80.6 | Confident | 72.8 | Confident | 129 Ų | 129 | 112.9 Ų | 112.9 | 60% | 0.603 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -64.9 | -43.1 | 172 | -160.1 | -179.4 | 46.1 | 0 | 0 | 110.7 | D212 A218 R219 Y220 | D212-Q216 WeakPolarHBondContact O-CB 3.43Å; D212-Q216 PolarHBondContact O-N 3.05Å; Q216-A218 PolarHBondContact O-N 3.4Å; Q216-R219 PolarHBondContact O-N 3.32Å; Q216-Y220 WeakPolarHBondContact O-CB 3.21Å; Q216-Y220 PolarHBondContact O-N 2.65Å |
| 217 | A | 86.3 | Confident | 75.3 | Confident | 58 Ų | 58 | 109.5 Ų | 109.5 | 48% | 0.479 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -62.4 | -39.7 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | S213 K221 | S213-A217 WeakPolarHBondContact O-CB 3.31Å; S213-A217 PolarHBondContact O-N 2.87Å; A217-K221 WeakPolarHBondContact O-CB 3.49Å; A217-K221 PolarHBondContact O-N 2.98Å |
| 218 | A | 86.4 | Confident | 77.7 | Confident | 58 Ų | 58 | 106.9 Ų | 106.9 | 48% | 0.479 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -66.7 | -40.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | A214 A215 Q216 K221 N222 | A214-A218 WeakPolarHBondContact O-CB 2.95Å; A214-A218 PolarHBondContact O-N 3.18Å; A215-A218 PolarHBondContact O-N 3.25Å; Q216-A218 PolarHBondContact O-N 3.4Å; A218-K221 PolarHBondContact O-N 3.45Å; A218-N222 WeakPolarHBondContact O-CB 3.18Å; A218-N222 PolarHBondContact O-N 3.41Å |
| 219 | R | 85.8 | Confident | 80 | Confident | 181 Ų | 181 | 106.4 Ų | 106.4 | 68% | 0.683 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -62.3 | -47.9 | 173.4 | -76.2 | 174 | 177 | -161.1 | 1.3 | 111 | A215 Q216 N222 M223 | A215-R219 WeakPolarHBondContact O-CB 3.48Å; A215-R219 VanDerWaalsContact O-CG 3.29Å; A215-R219 WeakPolarHBondContact O-CG 3.09Å; A215-R219 PolarHBondContact O-N 2.88Å; Q216-R219 PolarHBondContact O-N 3.32Å; R219-N222 PolarHBondContact O-N 2.93Å; R219-M223 WeakPolarHBondContact O-CB 3.33Å; R219-M223 PolarHBondContact O-N 3.08Å |
| 220 | Y | 91.2 | Very high | 81.7 | Confident | 148 Ų | 148 | 111.3 Ų | 111.3 | 58% | 0.58 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -61.5 | -44.3 | 176.3 | -176.2 | -99.2 | 0 | 0 | 0 | 111.8 | Q216 N222 M223 M224 | Q216-Y220 WeakPolarHBondContact O-CB 3.21Å; Q216-Y220 PolarHBondContact O-N 2.65Å; Y220-N222 PolarHBondContact O-N 3.25Å; Y220-M223 WeakPolarHBondContact O-CB 3.3Å; Y220-M223 PolarHBondContact O-N 2.95Å; Y220-M224 HydrophobicContact CD1-CG 4.18Å; Y220-M224 HydrophobicContact CE1-CG 3.76Å; Y220-M224 HydrophobicContact CE2-CG 4.27Å; Y220-M224 WeakPolarHBondContact O-CB 3.31Å; Y220-M224 WeakPolarHBondContact O-CG 2.75Å; Y220-M224 PolarHBondContact O-N 3.15Å |
| 221 | K | 91.8 | Very high | 83.1 | Confident | 148 Ų | 148 | 108.6 Ų | 108.6 | 64% | 0.643 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -59.5 | -45.3 | 174.1 | -177.6 | 177.4 | 178.5 | 179 | 0 | 111.9 | A217 A218 M224 E225 | A217-K221 WeakPolarHBondContact O-CB 3.49Å; A217-K221 PolarHBondContact O-N 2.98Å; A218-K221 PolarHBondContact O-N 3.45Å; K221-M224 PolarHBondContact O-N 3.2Å; K221-E225 VanDerWaalsContact O-CB 3.29Å; K221-E225 WeakPolarHBondContact O-CB 3.45Å; K221-E225 PolarHBondContact O-N 2.88Å |
| 222 | N | 90.5 | Very high | 84.5 | Confident | 76 Ų | 76 | 108.4 Ų | 108.4 | 41% | 0.406 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -67.6 | -36.2 | 177.7 | -154.2 | -89.7 | 0 | 0 | 0 | 111.8 | A218 R219 Y220 R226 | A218-N222 WeakPolarHBondContact O-CB 3.18Å; A218-N222 PolarHBondContact O-N 3.41Å; R219-N222 PolarHBondContact O-N 2.93Å; Y220-N222 PolarHBondContact O-N 3.25Å; N222-R226 VanDerWaalsContact O-CB 3.31Å; N222-R226 WeakPolarHBondContact O-CB 3.1Å; N222-R226 WeakPolarHBondContact O-CG 3.25Å; N222-R226 PolarHBondContact O-N 3.27Å; N222-R226 PolarHBondContact OD1-NE 3.12Å |
| 223 | M | 90.7 | Very high | 85.1 | Confident | 124 Ų | 124 | 114.7 Ų | 114.7 | 61% | 0.611 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -62.8 | -48.5 | 173.4 | -172.2 | -168.7 | -64.6 | 0 | 0 | 111.4 | R219 Y220 R226 F227 | R219-M223 WeakPolarHBondContact O-CB 3.33Å; R219-M223 PolarHBondContact O-N 3.08Å; Y220-M223 WeakPolarHBondContact O-CB 3.3Å; Y220-M223 PolarHBondContact O-N 2.95Å; M223-R226 PolarHBondContact O-N 3.12Å; M223-F227 WeakPolarHBondContact O-CB 3.5Å; M223-F227 PolarHBondContact O-N 3.04Å |
| 224 | M | 92.6 | Very high | 84.5 | Confident | 73 Ų | 73 | 112 Ų | 112 | 36% | 0.36 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -66.7 | -35.6 | 177.6 | -75.2 | -61 | -69.7 | 0 | 0 | 112.7 | Y220 K221 F227 Q228 | Y220-M224 HydrophobicContact CD1-CG 4.18Å; Y220-M224 HydrophobicContact CE1-CG 3.76Å; Y220-M224 HydrophobicContact CE2-CG 4.27Å; Y220-M224 WeakPolarHBondContact O-CB 3.31Å; Y220-M224 WeakPolarHBondContact O-CG 2.75Å; Y220-M224 PolarHBondContact O-N 3.15Å; K221-M224 PolarHBondContact O-N 3.2Å; M224-F227 PolarHBondContact O-N 2.73Å; M224-Q228 WeakPolarHBondContact O-CB 3.05Å; M224-Q228 WeakPolarHBondContact O-CG 3.5Å; M224-Q228 PolarHBondContact O-N 3.23Å |
| 225 | E | 90.2 | Very high | 83.5 | Confident | 100 Ų | 100 | 112 Ų | 112 | 47% | 0.467 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -67.6 | -42.8 | 172.5 | 179.3 | 169.9 | -167.8 | 0 | 0 | 111.6 | K221 F227 Q228 N229 | K221-E225 VanDerWaalsContact O-CB 3.29Å; K221-E225 WeakPolarHBondContact O-CB 3.45Å; K221-E225 PolarHBondContact O-N 2.88Å; E225-F227 VanDerWaalsContact C-N 3.33Å; E225-F227 PolarHBondContact O-N 3.33Å; E225-Q228 PolarHBondContact O-N 3Å; E225-N229 WeakPolarHBondContact CG-ND2 3.02Å; E225-N229 VanDerWaalsContact O-CB 3.23Å; E225-N229 WeakPolarHBondContact O-CB 3.41Å; E225-N229 PolarHBondContact O-N 2.85Å; E225-N229 PolarHBondContact O-ND2 2.17Å; E225-N229 VanDerWaalsContact O-ND2 3.17Å |
| 226 | R | 88.1 | Confident | 82.1 | Confident | 174 Ų | 174 | 114.8 Ų | 114.8 | 66% | 0.657 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -61.1 | -41.1 | 172 | -76.2 | 171.7 | 179.6 | -128.3 | -2.6 | 111.5 | N222 M223 R230 | N222-R226 VanDerWaalsContact O-CB 3.31Å; N222-R226 WeakPolarHBondContact O-CB 3.1Å; N222-R226 WeakPolarHBondContact O-CG 3.25Å; N222-R226 PolarHBondContact O-N 3.27Å; N222-R226 PolarHBondContact OD1-NE 3.12Å; M223-R226 PolarHBondContact O-N 3.12Å; R226-R230 VanDerWaalsContact O-CB 3.26Å; R226-R230 WeakPolarHBondContact O-CB 3.3Å; R226-R230 PolarHBondContact O-N 2.89Å |
| 227 | F | 88.7 | Confident | 80.5 | Confident | 114 Ų | 114 | 116 Ų | 116 | 50% | 0.5 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -64.5 | -50.2 | 176 | -174.3 | -93.1 | 0 | 0 | 0 | 111.4 | M223 M224 E225 N229 R230 H231 | M223-F227 WeakPolarHBondContact O-CB 3.5Å; M223-F227 PolarHBondContact O-N 3.04Å; M224-F227 PolarHBondContact O-N 2.73Å; E225-F227 VanDerWaalsContact C-N 3.33Å; E225-F227 PolarHBondContact O-N 3.33Å; F227-N229 VanDerWaalsContact C-N 3.35Å; F227-N229 PolarHBondContact O-N 3.3Å; F227-R230 CarbonylContact O-C 3.58Å; F227-R230 PolarHBondContact O-N 3.01Å; F227-H231 WeakPolarHBondContact O-CB 3.42Å; F227-H231 PolarHBondContact O-N 2.84Å |
| 228 | Q | 88.7 | Confident | 78.7 | Confident | 96 Ų | 96 | 118.2 Ų | 118.2 | 45% | 0.449 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -61.3 | -40.2 | 176 | -78.1 | -169.6 | 58.2 | 0 | 0 | 112.8 | M224 E225 H231 K232 | M224-Q228 WeakPolarHBondContact O-CB 3.05Å; M224-Q228 WeakPolarHBondContact O-CG 3.5Å; M224-Q228 PolarHBondContact O-N 3.23Å; E225-Q228 PolarHBondContact O-N 3Å; Q228-H231 PolarHBondContact O-N 3.2Å; Q228-K232 WeakPolarHBondContact O-CB 3.28Å; Q228-K232 VanDerWaalsContact O-CG 3.29Å; Q228-K232 WeakPolarHBondContact O-CG 3.33Å; Q228-K232 PolarHBondContact O-N 2.99Å |
| 229 | N | 84.7 | Confident | 76.8 | Confident | 68 Ų | 68 | 123.3 Ų | 123.3 | 36% | 0.364 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -70 | -34.5 | 176.9 | -78.1 | -38.8 | 0 | 0 | 0 | 111.9 | E225 F227 R233 | E225-N229 WeakPolarHBondContact CG-ND2 3.02Å; E225-N229 VanDerWaalsContact O-CB 3.23Å; E225-N229 WeakPolarHBondContact O-CB 3.41Å; E225-N229 PolarHBondContact O-N 2.85Å; E225-N229 PolarHBondContact O-ND2 2.17Å; E225-N229 VanDerWaalsContact O-ND2 3.17Å; F227-N229 VanDerWaalsContact C-N 3.35Å; F227-N229 PolarHBondContact O-N 3.3Å; N229-R233 WeakPolarHBondContact O-CB 3.37Å; N229-R233 WeakPolarHBondContact O-CD 2.57Å; N229-R233 WeakPolarHBondContact O-CG 3.48Å; N229-R233 PolarHBondContact O-N 2.56Å; N229-R233 VanDerWaalsContact O-N 3.14Å |
| 230 | R | 84.3 | Confident | 75.1 | Confident | 187 Ų | 187 | 122.7 Ų | 122.7 | 71% | 0.706 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -66.5 | -41.1 | 169.5 | -175.2 | -177.2 | -71 | 153.1 | -5.3 | 111.1 | R226 F227 R233 G234 | R226-R230 VanDerWaalsContact O-CB 3.26Å; R226-R230 WeakPolarHBondContact O-CB 3.3Å; R226-R230 PolarHBondContact O-N 2.89Å; F227-R230 CarbonylContact O-C 3.58Å; F227-R230 PolarHBondContact O-N 3.01Å; R230-R233 CarbonylContact O-C 3.52Å; R230-R233 PolarHBondContact O-N 3.05Å; R230-G234 VanDerWaalsContact O-CA 3.31Å; R230-G234 WeakPolarHBondContact O-CA 3.31Å; R230-G234 PolarHBondContact O-N 3.39Å |
| 231 | H | 81.6 | Confident | 73 | Confident | 123 Ų | 123 | 122.8 Ų | 122.8 | 57% | 0.569 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -71.5 | -41.6 | -179.4 | -154 | 41.2 | 0 | 0 | 0 | 111.6 | F227 Q228 R233 G234 A235 | F227-H231 WeakPolarHBondContact O-CB 3.42Å; F227-H231 PolarHBondContact O-N 2.84Å; Q228-H231 PolarHBondContact O-N 3.2Å; H231-R233 PolarHBondContact O-N 3.43Å; H231-G234 PolarHBondContact O-N 3.29Å; H231-G234 VanDerWaalsContact O-N 3.15Å; H231-A235 WeakPolarHBondContact O-CB 3.42Å; H231-A235 PolarHBondContact O-N 3.11Å |
| 232 | K | 79.4 | Confident | 70.6 | Confident | 152 Ų | 152 | 122.2 Ų | 122.2 | 66% | 0.661 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -63.4 | -25.4 | 171.9 | -72.9 | 170.2 | -178.5 | 168.1 | 0 | 113.6 | Q228 | Q228-K232 WeakPolarHBondContact O-CB 3.28Å; Q228-K232 VanDerWaalsContact O-CG 3.29Å; Q228-K232 WeakPolarHBondContact O-CG 3.33Å; Q228-K232 PolarHBondContact O-N 2.99Å |
| 233 | R | 72 | Confident | 68.7 | Low | 202 Ų | 202 | 127.8 Ų | 127.8 | 76% | 0.762 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -95.4 | -14.1 | 173.7 | -67.1 | 173.6 | -175.6 | -130.5 | 3.2 | 114 | N229 R230 H231 S236 | N229-R233 WeakPolarHBondContact O-CB 3.37Å; N229-R233 WeakPolarHBondContact O-CD 2.57Å; N229-R233 WeakPolarHBondContact O-CG 3.48Å; N229-R233 PolarHBondContact O-N 2.56Å; N229-R233 VanDerWaalsContact O-N 3.14Å; R230-R233 CarbonylContact O-C 3.52Å; R230-R233 PolarHBondContact O-N 3.05Å; H231-R233 PolarHBondContact O-N 3.43Å; R233-S236 PolarHBondContact O-OG 3.26Å |
| 234 | G | 63.5 | Low | 66.6 | Low | 24 Ų | 24 | 129.7 Ų | 129.7 | 25% | 0.247 | 63% | 0.634 | C | S | . | * | H | α-helix | trans | -114.3 | -14.7 | -170.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | R230 H231 S236 M237 S238 | R230-G234 VanDerWaalsContact O-CA 3.31Å; R230-G234 WeakPolarHBondContact O-CA 3.31Å; R230-G234 PolarHBondContact O-N 3.39Å; H231-G234 PolarHBondContact O-N 3.29Å; H231-G234 VanDerWaalsContact O-N 3.15Å; G234-S236 PolarHBondContact O-N 3.24Å; G234-S236 VanDerWaalsContact O-N 3.17Å; G234-M237 PolarHBondContact O-N 3.07Å; G234-S238 PolarHBondContact O-N 3.42Å |
| 235 | A | 57.9 | Low | 64.1 | Low | 77 Ų | 77 | 132 Ų | 132 | 64% | 0.636 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.1 | -22.7 | 168.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | H231 | H231-A235 WeakPolarHBondContact O-CB 3.42Å; H231-A235 PolarHBondContact O-N 3.11Å |
| 236 | S | 48.7 | Very low | 61.6 | Low | 99 Ų | 99 | 134.1 Ų | 134.1 | 69% | 0.692 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88 | 5.8 | 171.4 | 49.6 | 0 | 0 | 0 | 0 | 114.8 | R233 G234 | R233-S236 PolarHBondContact O-OG 3.26Å; G234-S236 PolarHBondContact O-N 3.24Å; G234-S236 VanDerWaalsContact O-N 3.17Å |
| 237 | M | 46.5 | Very low | 59.1 | Low | 153 Ų | 153 | 131 Ų | 131 | 75% | 0.754 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.5 | -7.8 | -179.8 | -73.9 | -63.7 | -55.4 | 0 | 0 | 113.9 | G234 K239 | G234-M237 PolarHBondContact O-N 3.07Å; M237-K239 VanDerWaalsContact C-N 3.29Å; M237-K239 PolarHBondContact O-N 2.74Å; M237-K239 VanDerWaalsContact O-N 3.09Å |
| 238 | S | 48.9 | Very low | 56.8 | Low | 105 Ų | 105 | 132.5 Ų | 132.5 | 73% | 0.734 | 68% | 0.681 | S | S | * | * | | | trans | -87.9 | 55.1 | -175.9 | -170.4 | 0 | 0 | 0 | 0 | 113.6 | G234 | G234-S238 PolarHBondContact O-N 3.42Š|
| 239 | K | 46.8 | Very low | 54.4 | Low | 166 Ų | 166 | 131.4 Ų | 131.4 | 72% | 0.722 | 69% | 0.688 | S | S | * | * | | | trans | -138.4 | 77.6 | 163.9 | -99.7 | -165.9 | 165.7 | -112.1 | 0 | 109.9 | M237 E241 | M237-K239 VanDerWaalsContact C-N 3.29Å; M237-K239 PolarHBondContact O-N 2.74Å; M237-K239 VanDerWaalsContact O-N 3.09Å; K239-E241 IonicContact NZ-OE1 2.67Å; K239-E241 PolarHBondContact NZ-OE1 3.05Å |
| 240 | L | 50.8 | Low | 52.1 | Low | 168 Ų | 168 | 135.2 Ų | 135.2 | 88% | 0.88 | 72% | 0.715 | S | S | * | * | | | trans | -107.4 | 110.6 | 155.8 | -143.5 | 80.3 | 0 | 0 | 0 | 105.4 | | |
| 241 | E | 46.8 | Very low | 50.1 | Low | 149 Ų | 149 | 130.6 Ų | 130.6 | 70% | 0.696 | 71% | 0.711 | S | S | * | * | | | trans | -81.7 | 127.2 | -176.6 | -76.5 | 165.7 | 177.2 | 0 | 0 | 109.3 | K239 | K239-E241 IonicContact NZ-OE1 2.67Å; K239-E241 PolarHBondContact NZ-OE1 3.05Å |
| 242 | T | 41.9 | Very low | 48 | Very low | 137 Ų | 137 | 132.2 Ų | 132.2 | 84% | 0.84 | 72% | 0.723 | S | S | * | * | | | trans | -101.3 | 86.8 | -178.4 | -54 | 0 | 0 | 0 | 0 | 108.6 | | |
| 243 | E | 50.9 | Low | 46.2 | Very low | 192 Ų | 192 | 130.6 Ų | 130.6 | 90% | 0.897 | 73% | 0.731 | S | S | * | * | | | trans | -112.9 | 120.7 | 165.5 | -70.3 | -160.3 | 149.6 | 0 | 0 | 109.9 | | |
| 244 | K | 45.4 | Very low | 44.6 | Very low | 165 Ų | 165 | 124.2 Ų | 124.2 | 72% | 0.717 | 73% | 0.729 | S | S | * | * | | | trans | -143.8 | 135.9 | -179.1 | -151.6 | -172.6 | 169.9 | -86.5 | 0 | 107.9 | | |
| 245 | D | 41.3 | Very low | 43.2 | Very low | 121 Ų | 121 | 134.5 Ų | 134.5 | 65% | 0.647 | 76% | 0.76 | S | S | * | * | | | trans | 69.1 | 123.3 | 163.3 | -49.6 | -36.4 | 0 | 0 | 0 | 120 | | |
| 246 | N | 36.3 | Very low | 42.4 | Very low | 144 Ų | 144 | 140 Ų | 140 | 77% | 0.77 | 77% | 0.773 | S | S | * | * | | | trans | 82.6 | 99.7 | 139.8 | -88.4 | 7 | 0 | 0 | 0 | 124.6 | | |
| 247 | T | 36.6 | Very low | 41.8 | Very low | 108 Ų | 108 | 140 Ų | 140 | 66% | 0.663 | 77% | 0.773 | S | S | * | * | | | | 52.3 | 110.6 | 116.9 | 60.5 | 0 | 0 | 0 | 0 | 121.1 | | |
| 248 | T | 40.5 | Very low | 41.3 | Very low | 147 Ų | 147 | 140 Ų | 140 | 90% | 0.902 | 77% | 0.771 | S | S | * | * | | | | 178.5 | 162.2 | 117.2 | 25.7 | 0 | 0 | 0 | 0 | 108.9 | | |
| 249 | A | 37.7 | Very low | 40.5 | Very low | 72 Ų | 72 | 144.8 Ų | 144.8 | 60% | 0.595 | 77% | 0.773 | S | S | * | * | | | cis | -172.8 | 139.6 | -43.2 | 0 | 0 | 0 | 0 | 0 | 107.2 | | |
| 250 | T | 36.7 | Very low | 40 | Very low | 149 Ų | 149 | 140.9 Ų | 140.9 | 91% | 0.914 | 77% | 0.766 | S | S | * | * | | | trans | 62.5 | 152 | 168.1 | 58.4 | 0 | 0 | 0 | 0 | 116.9 | | |
| 251 | S | 41.7 | Very low | 39.2 | Very low | 89 Ų | 89 | 137.6 Ų | 137.6 | 62% | 0.622 | 76% | 0.758 | S | S | * | * | | | cis | -154.2 | 153.5 | 7.2 | 57.8 | 0 | 0 | 0 | 0 | 113.1 | | |
| 252 | N | 38.7 | Very low | 38.5 | Very low | 157 Ų | 157 | 138 Ų | 138 | 84% | 0.84 | 76% | 0.764 | S | S | * | * | | | trans | 67.1 | 144.8 | 146.1 | -62.3 | -9.3 | 0 | 0 | 0 | 119.3 | | |
| 253 | S | 40.3 | Very low | 37.9 | Very low | 118 Ų | 118 | 138.8 Ų | 138.8 | 83% | 0.825 | 76% | 0.763 | S | S | * | * | | | cis | -156.3 | 164.8 | -4.5 | -166.7 | 0 | 0 | 0 | 0 | 111.4 | | |
| 254 | G | 38.3 | Very low | 37.1 | Very low | 69 Ų | 69 | 134.2 Ų | 134.2 | 71% | 0.711 | 76% | 0.758 | S | S | * | * | | | trans | 69.8 | 105.3 | 165.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 255 | R | 34.9 | Very low | 36.5 | Very low | 240 Ų | 240 | 130 Ų | 130 | 91% | 0.906 | 76% | 0.761 | S | S | * | * | | | cis | 82.5 | 77.9 | 10.5 | -138 | -171.8 | -159.8 | -145.5 | 6.4 | 117.2 | | |
| 256 | Q | 41 | Very low | 36.1 | Very low | 192 Ų | 192 | 129.4 Ų | 129.4 | 90% | 0.897 | 77% | 0.767 | S | S | * | * | | | trans | -175.4 | 125.8 | 142.5 | -99.6 | 160.8 | 22.3 | 0 | 0 | 107.3 | | |
| 257 | S | 35.4 | Very low | 35.8 | Very low | 100 Ų | 100 | 127 Ų | 127 | 70% | 0.699 | 76% | 0.761 | S | S | * | * | | | cis | 83.2 | 136.2 | 16.8 | -158.3 | 0 | 0 | 0 | 0 | 116.1 | | |
| 258 | Q | 35.8 | Very low | 35.9 | Very low | 153 Ų | 153 | 130.3 Ų | 130.3 | 72% | 0.715 | 77% | 0.771 | S | S | * | * | | | trans | 76.6 | 153.2 | 176.5 | -44.7 | -159.3 | 9.2 | 0 | 0 | 114.3 | | |
| 259 | R | 33.3 | Very low | 35.7 | Very low | 205 Ų | 205 | 127 Ų | 127 | 77% | 0.774 | 76% | 0.758 | S | S | * | * | | | cis | -162.3 | 172 | 7.9 | -142.7 | 166.5 | -158.4 | -110.3 | 2.9 | 113.4 | | |
| 260 | S | 35.3 | Very low | 35.8 | Very low | 83 Ų | 83 | 131 Ų | 131 | 58% | 0.58 | 77% | 0.77 | S | S | * | * | | | trans | 25 | 121.6 | 146.9 | 52.6 | 0 | 0 | 0 | 0 | 120 | | |
| 261 | S | 33.8 | Very low | 36 | Very low | 100 Ų | 100 | 130.8 Ų | 130.8 | 70% | 0.699 | 76% | 0.763 | S | S | * | * | | | | 87.8 | 142.3 | 50.3 | 76.6 | 0 | 0 | 0 | 0 | 115.5 | | |
| 262 | L | 32.1 | Very low | 35.9 | Very low | 157 Ų | 157 | 132.3 Ų | 132.3 | 82% | 0.822 | 77% | 0.768 | S | S | * | * | | | trans | 77.9 | 143 | 162.8 | -62.1 | 165.3 | 0 | 0 | 0 | 118.8 | | |
| 263 | D | 31 | Very low | 36 | Very low | 154 Ų | 154 | 130.1 Ų | 130.1 | 82% | 0.824 | 77% | 0.765 | S | S | * | * | | | trans | 73.4 | 159 | 147.6 | -99.8 | -55.6 | 0 | 0 | 0 | 124.3 | | |
| 264 | A | 32.3 | Very low | 36.2 | Very low | 95 Ų | 95 | 129 Ų | 129 | 79% | 0.785 | 76% | 0.757 | S | S | * | * | | | trans | -74.4 | 158.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 265 | G | 32.9 | Very low | 36.6 | Very low | 77 Ų | 77 | 133.2 Ų | 133.2 | 79% | 0.794 | 76% | 0.763 | S | S | * | * | | | trans | 179.3 | 88.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 266 | S | 32.6 | Very low | 36.9 | Very low | 109 Ų | 109 | 127.7 Ų | 127.7 | 76% | 0.762 | 76% | 0.756 | S | S | * | * | | | trans | -35 | 140.7 | 167.3 | 50.5 | 0 | 0 | 0 | 0 | 119.9 | | |
| 267 | S | 31.9 | Very low | 36.8 | Very low | 92 Ų | 92 | 122.6 Ų | 122.6 | 64% | 0.643 | 75% | 0.747 | S | S | * | * | | | | 87.6 | 141 | 125.6 | 74.1 | 0 | 0 | 0 | 0 | 122.7 | | |
| 268 | M | 37.8 | Very low | 37.1 | Very low | 179 Ų | 179 | 122.4 Ų | 122.4 | 88% | 0.882 | 75% | 0.751 | S | S | * | * | | | trans | 59.4 | 134.2 | 162.5 | -40.4 | -43.3 | 177.8 | 0 | 0 | 116.8 | | |
| 269 | A | 36.8 | Very low | 37.2 | Very low | 77 Ų | 77 | 121.6 Ų | 121.6 | 64% | 0.636 | 76% | 0.757 | S | S | * | * | | | cis | -141.8 | 177.1 | 3.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 270 | D | 39.8 | Very low | 38.4 | Very low | 155 Ų | 155 | 117.8 Ų | 117.8 | 83% | 0.829 | 76% | 0.758 | S | S | * | * | | | cis | -108.4 | -153.2 | 4.3 | -61.6 | -69.8 | 0 | 0 | 0 | 109.9 | | |
| 271 | D | 40 | Very low | 38.5 | Very low | 146 Ų | 146 | 118.9 Ų | 118.9 | 78% | 0.781 | 77% | 0.766 | S | S | * | * | | | cis | -151.2 | 180 | 7.4 | -168.4 | 14.6 | 0 | 0 | 0 | 110.6 | S273 | D271-S273 PolarHBondContact O-N 3.46Š|
| 272 | V | 40.3 | Very low | 39 | Very low | 120 Ų | 120 | 118.2 Ų | 118.2 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | | | trans | -69.7 | 123.1 | -166.7 | -69.1 | 0 | 0 | 0 | 0 | 116.2 | | |
| 273 | S | 41.4 | Very low | 39.6 | Very low | 112 Ų | 112 | 118.4 Ų | 118.4 | 78% | 0.783 | 76% | 0.758 | S | S | * | * | | | trans | 70 | 140.2 | 145.5 | -60.8 | 0 | 0 | 0 | 0 | 119.8 | D271 | D271-S273 PolarHBondContact O-N 3.46Š|
| 274 | S | 44 | Very low | 40 | Very low | 93 Ų | 93 | 118.4 Ų | 118.4 | 65% | 0.65 | 75% | 0.753 | S | S | * | * | | | cis | -172.8 | 132.4 | -6.8 | 50 | 0 | 0 | 0 | 0 | 112.9 | | |
| 275 | L | 47 | Very low | 40.6 | Very low | 159 Ų | 159 | 118 Ų | 118 | 83% | 0.832 | 75% | 0.75 | S | S | * | * | | | trans | 60.1 | 164.2 | 153 | -79.5 | 81.8 | 0 | 0 | 0 | 119.1 | | |
| 276 | T | 41 | Very low | 41.3 | Very low | 123 Ų | 123 | 120.3 Ų | 120.3 | 76% | 0.755 | 75% | 0.751 | S | S | * | * | | | cis | -172.2 | 162.5 | -39 | 31 | 0 | 0 | 0 | 0 | 107.1 | | |
| 277 | A | 38.3 | Very low | 42.4 | Very low | 86 Ų | 86 | 120 Ų | 120 | 71% | 0.711 | 75% | 0.747 | S | S | * | * | | | cis | -178.7 | 161.6 | -29.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 278 | A | 40.9 | Very low | 42.9 | Very low | 95 Ų | 95 | 121.4 Ų | 121.4 | 79% | 0.785 | 75% | 0.751 | S | S | * | * | | | trans | 65.8 | 155.7 | 168.7 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 279 | T | 39.4 | Very low | 43 | Very low | 137 Ų | 137 | 120.7 Ų | 120.7 | 84% | 0.84 | 75% | 0.745 | S | S | * | * | | | cis | -158.1 | 165.9 | -12.6 | 12.6 | 0 | 0 | 0 | 0 | 110.2 | | |
| 280 | P | 57.3 | Low | 43 | Very low | 124 Ų | 124 | 122.7 Ų | 122.7 | 81% | 0.805 | 75% | 0.749 | S | S | * | * | | | trans | -115.4 | 172 | -167.6 | 42.4 | -34.4 | 0 | 0 | 0 | 117 | | |
| 281 | S | 37.3 | Very low | 42.8 | Very low | 106 Ų | 106 | 123.7 Ų | 123.7 | 74% | 0.741 | 75% | 0.746 | S | S | * | * | | | trans | -164.6 | 151.2 | 156.8 | -167.7 | 0 | 0 | 0 | 0 | 114.2 | | |
| 282 | S | 44.1 | Very low | 42.7 | Very low | 87 Ų | 87 | 123.9 Ų | 123.9 | 61% | 0.608 | 75% | 0.745 | S | S | * | * | | | trans | 33.5 | 136.3 | 147.2 | 58.4 | 0 | 0 | 0 | 0 | 121.2 | | |
| 283 | E | 44.7 | Very low | 42.6 | Very low | 161 Ų | 161 | 128 Ų | 128 | 75% | 0.752 | 75% | 0.747 | S | S | * | * | | | cis | -168.6 | -153.4 | -1.4 | -128.2 | 161.1 | 90.8 | 0 | 0 | 108.3 | | |
| 284 | Q | 41.1 | Very low | 42.5 | Very low | 154 Ų | 154 | 129.7 Ų | 129.7 | 72% | 0.72 | 75% | 0.752 | S | S | * | * | | | cis | -158 | 132.5 | 4.7 | -134.5 | 148.2 | 50.2 | 0 | 0 | 107.7 | | |
| 285 | A | 43.5 | Very low | 42.4 | Very low | 87 Ų | 87 | 133.3 Ų | 133.3 | 72% | 0.719 | 75% | 0.752 | S | S | * | * | | | | 96.3 | 148.1 | 101.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 286 | P | 49.1 | Very low | 42.1 | Very low | 124 Ų | 124 | 133.4 Ų | 133.4 | 81% | 0.805 | 75% | 0.753 | S | S | * | * | | | | -132.1 | -123.9 | -123.1 | 32.5 | -6.8 | 0 | 0 | 0 | 118.9 | | |
| 287 | P | 55 | Low | 42 | Very low | 104 Ų | 104 | 136.4 Ų | 136.4 | 68% | 0.675 | 75% | 0.75 | S | S | * | * | | | | -128.8 | -147.5 | -102.7 | 41 | -22 | 0 | 0 | 0 | 116.6 | | |
| 288 | V | 42.8 | Very low | 42.4 | Very low | 120 Ų | 120 | 138 Ų | 138 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | | | trans | 73.4 | 148 | 169.7 | -66 | 0 | 0 | 0 | 0 | 118.6 | | |
| 289 | Q | 39.3 | Very low | 42.2 | Very low | 164 Ų | 164 | 138.3 Ų | 138.3 | 77% | 0.766 | 76% | 0.759 | S | S | * | * | | | cis | -155.7 | 136.8 | 2 | -127.2 | 163.6 | 68.3 | 0 | 0 | 114.8 | | |
| 290 | V | 36.1 | Very low | 42.2 | Very low | 119 Ų | 119 | 136.7 Ų | 136.7 | 72% | 0.721 | 75% | 0.753 | S | S | * | * | | | trans | 55.9 | 106 | 131.8 | 175.9 | 0 | 0 | 0 | 0 | 122.8 | | |
| 291 | K | 35.9 | Very low | 41.6 | Very low | 176 Ų | 176 | 142 Ų | 142 | 77% | 0.765 | 76% | 0.757 | S | S | * | * | | | | 58.2 | 118.6 | 119.3 | -160.3 | -174.9 | -175.3 | 178.2 | 0 | 120.6 | | |
| 292 | M | 39.5 | Very low | 41.5 | Very low | 151 Ų | 151 | 143.9 Ų | 143.9 | 74% | 0.744 | 76% | 0.764 | S | S | * | * | | | | -172.3 | 168.5 | 107.9 | -99.9 | -62.8 | -97.2 | 0 | 0 | 113.8 | | |
| 293 | R | 37.1 | Very low | 41.2 | Very low | 206 Ų | 206 | 151 Ų | 151 | 78% | 0.777 | 78% | 0.777 | S | S | * | * | | | trans | -78.8 | 160.7 | 175.4 | -52.5 | 177.6 | -177.6 | 96.2 | -3.9 | 109.2 | | |
| 294 | V | 39 | Very low | 40.9 | Very low | 148 Ų | 148 | 151.1 Ų | 151.1 | 90% | 0.897 | 78% | 0.783 | S | S | * | * | | | | -152.6 | 166.3 | 68.1 | 161.5 | 0 | 0 | 0 | 0 | 111.4 | | |
| 295 | R | 41.5 | Very low | 40.5 | Very low | 169 Ų | 169 | 147.3 Ų | 147.3 | 64% | 0.638 | 78% | 0.778 | S | S | * | * | | | trans | -108.5 | 147.7 | -173.9 | 148.2 | -165.4 | 176.7 | 92.2 | -17.8 | 110.1 | | |
| 296 | D | 40.5 | Very low | 40.1 | Very low | 160 Ų | 160 | 147.7 Ų | 147.7 | 86% | 0.856 | 78% | 0.775 | S | S | * | * | | | trans | -134.7 | 166.4 | 153.3 | -127.5 | -46.6 | 0 | 0 | 0 | 113.6 | | |
| 297 | R | 40 | Very low | 39.8 | Very low | 187 Ų | 187 | 150.5 Ų | 150.5 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | | | trans | -146.2 | 116.8 | -178.2 | -109 | -163.5 | -176 | 171.2 | -0.1 | 112.5 | | |
| 298 | S | 45.5 | Very low | 39 | Very low | 120 Ų | 120 | 156.1 Ų | 156.1 | 84% | 0.839 | 78% | 0.783 | S | S | * | * | | | trans | -154.7 | 118.1 | 147.2 | -80.4 | 0 | 0 | 0 | 0 | 107.1 | | |
| 299 | A | 38.4 | Very low | 39 | Very low | 100 Ų | 100 | 158.5 Ų | 158.5 | 83% | 0.826 | 79% | 0.785 | S | S | * | * | | | | 74.1 | 94 | 50.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 300 | S | 38.3 | Very low | 39 | Very low | 103 Ų | 103 | 155.6 Ų | 155.6 | 72% | 0.72 | 78% | 0.783 | S | S | * | * | | | trans | -163.7 | 131.4 | 147.1 | -153.7 | 0 | 0 | 0 | 0 | 113.6 | | |
| 301 | R | 44.4 | Very low | 38.9 | Very low | 235 Ų | 235 | 162.6 Ų | 162.6 | 89% | 0.887 | 80% | 0.797 | S | S | * | * | | | trans | 45.5 | 98.9 | 146.6 | -65.5 | 170.2 | -176.1 | 158.6 | 4.9 | 119.9 | | |
| 302 | V | 36.1 | Very low | 38.7 | Very low | 146 Ų | 146 | 158 Ų | 158 | 89% | 0.885 | 79% | 0.787 | S | S | * | * | | | trans | -62.8 | 134.7 | 142.1 | 172.7 | 0 | 0 | 0 | 0 | 109.8 | | |
| 303 | R | 38 | Very low | 38.4 | Very low | 238 Ų | 238 | 157.2 Ų | 157.2 | 90% | 0.898 | 79% | 0.793 | S | S | * | * | | | trans | -168.9 | 110.6 | 151.2 | -113.1 | -175.6 | -167.6 | 165.2 | 5 | 111 | | |
| 304 | D | 38.8 | Very low | 38.3 | Very low | 162 Ų | 162 | 158.1 Ų | 158.1 | 87% | 0.866 | 80% | 0.796 | S | S | * | * | | | trans | -158.5 | 171.9 | 156.9 | -166.4 | 20.7 | 0 | 0 | 0 | 110.7 | | |
| 305 | A | 32.1 | Very low | 38 | Very low | 75 Ų | 75 | 155.9 Ų | 155.9 | 62% | 0.62 | 79% | 0.787 | S | S | * | * | | | trans | 74.1 | 82.7 | 155 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 306 | S | 34.2 | Very low | 37.6 | Very low | 94 Ų | 94 | 152.5 Ų | 152.5 | 66% | 0.657 | 79% | 0.789 | S | S | * | * | | | | 69.6 | 129.7 | 116.1 | -100.8 | 0 | 0 | 0 | 0 | 123.1 | | |
| 307 | K | 44.4 | Very low | 37.3 | Very low | 184 Ų | 184 | 149.5 Ų | 149.5 | 80% | 0.8 | 79% | 0.787 | S | S | * | * | | | trans | 69.5 | 92.5 | 137.5 | -62.2 | 162.4 | -171.9 | 168 | 0 | 119.2 | | |
| 308 | R | 36.4 | Very low | 37 | Very low | 222 Ų | 222 | 145.7 Ų | 145.7 | 84% | 0.838 | 78% | 0.78 | S | S | * | * | | | trans | 169.7 | 134 | 133 | -92.6 | 155.3 | -168.1 | -88.6 | 5.7 | 108.2 | | |
| 309 | H | 42.7 | Very low | 36.6 | Very low | 170 Ų | 170 | 144.7 Ų | 144.7 | 79% | 0.787 | 78% | 0.78 | S | S | * | * | | | cis | -129.3 | 163.5 | 7.6 | -64.3 | 94.1 | 0 | 0 | 0 | 111.2 | | |
| 310 | S | 40.3 | Very low | 36.6 | Very low | 103 Ų | 103 | 145.1 Ų | 145.1 | 72% | 0.72 | 77% | 0.772 | S | S | * | * | | | trans | -119.5 | 120 | -167.8 | 54.9 | 0 | 0 | 0 | 0 | 114.2 | | |
| 311 | W | 33 | Very low | 36.7 | Very low | 266 Ų | 266 | 147.7 Ų | 147.7 | 100% | 1.008 | 77% | 0.773 | S | S | * | * | | | trans | -109.8 | 118.2 | 146.9 | -85.7 | 5.1 | 0 | 0 | 0 | 107.5 | | |
| 312 | S | 32.2 | Very low | 36.4 | Very low | 80 Ų | 80 | 140.5 Ų | 140.5 | 56% | 0.559 | 76% | 0.764 | S | S | * | * | | | trans | -144.4 | 116.9 | -172 | -179.2 | 0 | 0 | 0 | 0 | 110.2 | R314 | S312-R314 PolarHBondContact O-N 3.5Å; S312-R314 WeakPolarHBondContact OG-CG 3.46Å |
| 313 | P | 34.3 | Very low | 36.7 | Very low | 134 Ų | 134 | 140.6 Ų | 140.6 | 87% | 0.87 | 76% | 0.764 | S | S | * | * | | | trans | -71.4 | 87.9 | 157.5 | -1.7 | 19.5 | 0 | 0 | 0 | 106.8 | S315 | P313-S315 PolarHBondContact O-N 3.28Š|
| 314 | R | 34.3 | Very low | 36.8 | Very low | 225 Ų | 225 | 133.3 Ų | 133.3 | 85% | 0.849 | 76% | 0.755 | S | S | * | * | | | trans | -68.1 | 116.1 | 177.8 | -68.2 | -169.8 | 78.6 | -146.5 | 4.6 | 109.4 | S312 | S312-R314 PolarHBondContact O-N 3.5Å; S312-R314 WeakPolarHBondContact OG-CG 3.46Å |
| 315 | S | 32.7 | Very low | 37 | Very low | 100 Ų | 100 | 129.9 Ų | 129.9 | 70% | 0.699 | 75% | 0.749 | S | S | * | * | | | trans | -64.8 | 144.7 | 165.8 | 50.4 | 0 | 0 | 0 | 0 | 111.2 | P313 | P313-S315 PolarHBondContact O-N 3.28Š|
| 316 | S | 33.9 | Very low | 37.7 | Very low | 98 Ų | 98 | 131.8 Ų | 131.8 | 69% | 0.685 | 76% | 0.755 | S | S | * | * | | | trans | 50.1 | 118.5 | 154.5 | 60 | 0 | 0 | 0 | 0 | 119.4 | | |
| 317 | A | 33.1 | Very low | 38.1 | Very low | 97 Ų | 97 | 132 Ų | 132 | 80% | 0.802 | 76% | 0.762 | S | S | * | * | | | trans | -139.9 | 129.6 | 154.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 318 | N | 34.5 | Very low | 38.1 | Very low | 107 Ų | 107 | 128.2 Ų | 128.2 | 57% | 0.572 | 76% | 0.757 | S | S | * | * | | | trans | -166.9 | 91.6 | 170.9 | -144.8 | 83.1 | 0 | 0 | 0 | 111.3 | K985 | N318-K985 PolarHBondContact ND2-O 2.86Š|
| 319 | A | 36.2 | Very low | 38.4 | Very low | 100 Ų | 100 | 128.9 Ų | 128.9 | 83% | 0.826 | 76% | 0.759 | S | S | * | * | | | trans | -160.6 | 140.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 320 | T | 39.5 | Very low | 38.6 | Very low | 108 Ų | 108 | 126.2 Ų | 126.2 | 66% | 0.663 | 76% | 0.757 | S | S | * | * | | | trans | -153 | 175.7 | 172.3 | 60.2 | 0 | 0 | 0 | 0 | 107.7 | | |
| 321 | E | 40.2 | Very low | 38.8 | Very low | 158 Ų | 158 | 125.4 Ų | 125.4 | 74% | 0.738 | 76% | 0.756 | S | S | * | * | | | cis | -149.5 | 130.5 | 6 | -128.3 | 140.9 | 110.6 | 0 | 0 | 105.7 | | |
| 322 | A | 38.2 | Very low | 39.4 | Very low | 84 Ų | 84 | 118 Ų | 118 | 69% | 0.694 | 75% | 0.745 | S | S | * | * | | | | 77.2 | 173.2 | 92.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 323 | V | 41 | Very low | 40 | Very low | 148 Ų | 148 | 124.7 Ų | 124.7 | 90% | 0.897 | 76% | 0.758 | S | S | * | * | | | trans | 77.5 | 130.7 | -174.3 | -172.1 | 0 | 0 | 0 | 0 | 113.2 | | |
| 324 | A | 41.4 | Very low | 40.3 | Very low | 84 Ų | 84 | 123.5 Ų | 123.5 | 69% | 0.694 | 75% | 0.753 | S | S | * | * | | | cis | -151.9 | 141 | -3.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 325 | A | 42 | Very low | 40.6 | Very low | 91 Ų | 91 | 121.3 Ų | 121.3 | 75% | 0.752 | 75% | 0.75 | S | S | * | * | | | | 80.5 | 159.5 | 83.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 326 | P | 46.3 | Very low | 40.9 | Very low | 115 Ų | 115 | 124 Ų | 124 | 75% | 0.747 | 76% | 0.756 | S | S | * | * | | | cis | -144.3 | 145.7 | -26.9 | 32.6 | -11.1 | 0 | 0 | 0 | 118.9 | | |
| 327 | A | 42.7 | Very low | 41.2 | Very low | 97 Ų | 97 | 124.6 Ų | 124.6 | 80% | 0.802 | 76% | 0.757 | S | S | * | * | | | trans | 63.9 | -178.8 | 141.9 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 328 | P | 44.8 | Very low | 41.8 | Very low | 106 Ų | 106 | 125.1 Ų | 125.1 | 69% | 0.688 | 75% | 0.752 | S | S | * | * | | | cis | -142 | 145.5 | -4.7 | 39.7 | -19.3 | 0 | 0 | 0 | 120 | | |
| 329 | R | 42.2 | Very low | 42.5 | Very low | 235 Ų | 235 | 125.9 Ų | 125.9 | 89% | 0.887 | 76% | 0.763 | S | S | * | * | | | trans | 66.8 | 171.3 | 133.4 | -74.3 | 178.7 | -179.7 | -108.2 | -1.8 | 121.9 | | |
| 330 | P | 48.1 | Very low | 42.8 | Very low | 115 Ų | 115 | 126.8 Ų | 126.8 | 75% | 0.747 | 76% | 0.76 | S | S | * | * | | | cis | -140.6 | -166.9 | -35.3 | 38.9 | -20 | 0 | 0 | 0 | 115.9 | | |
| 331 | A | 44.4 | Very low | 42.5 | Very low | 85 Ų | 85 | 126 Ų | 126 | 70% | 0.702 | 77% | 0.765 | S | S | * | * | | | trans | 96 | 104.5 | 157.7 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 332 | S | 44.7 | Very low | 42.2 | Very low | 110 Ų | 110 | 122.8 Ų | 122.8 | 77% | 0.769 | 77% | 0.765 | S | S | * | * | | | | 92.1 | 148.9 | 70.7 | 84 | 0 | 0 | 0 | 0 | 112.8 | | |
| 333 | R | 44.8 | Very low | 42.2 | Very low | 222 Ų | 222 | 124.4 Ų | 124.4 | 84% | 0.838 | 77% | 0.767 | S | S | * | * | | | cis | -165.6 | 128.3 | 21.6 | -164.3 | -177.9 | -173.4 | -173.3 | 3.3 | 113.5 | | |
| 334 | S | 42.5 | Very low | 41.8 | Very low | 109 Ų | 109 | 127 Ų | 127 | 76% | 0.762 | 77% | 0.765 | S | S | * | * | | | trans | 63.9 | 167.4 | 154.5 | 73.8 | 0 | 0 | 0 | 0 | 118.5 | | |
| 335 | K | 38.7 | Very low | 41.5 | Very low | 179 Ų | 179 | 125.9 Ų | 125.9 | 78% | 0.778 | 76% | 0.762 | S | S | * | * | | | cis | -158.2 | 108.3 | 12.5 | -163.1 | 177.4 | 178.3 | -174 | 0 | 115.3 | | |
| 336 | L | 40 | Very low | 41.4 | Very low | 157 Ų | 157 | 128.5 Ų | 128.5 | 82% | 0.822 | 77% | 0.77 | S | S | * | * | | | trans | 59.6 | 165.8 | 140.9 | -66.6 | 167.1 | 0 | 0 | 0 | 122.6 | | |
| 337 | P | 40.1 | Very low | 41.1 | Very low | 109 Ų | 109 | 127.5 Ų | 127.5 | 71% | 0.708 | 77% | 0.765 | S | S | * | * | | | trans | -117.8 | -144.9 | -165.6 | 46.9 | -33.1 | 0 | 0 | 0 | 111.2 | | |
| 338 | P | 45.2 | Very low | 40.6 | Very low | 109 Ų | 109 | 129.3 Ų | 129.3 | 71% | 0.708 | 76% | 0.761 | S | S | * | * | | | cis | -124.1 | -168.3 | -21.6 | 43.7 | -26.4 | 0 | 0 | 0 | 112 | | |
| 339 | P | 50.3 | Low | 40.4 | Very low | 123 Ų | 123 | 131.1 Ų | 131.1 | 80% | 0.799 | 76% | 0.762 | S | S | * | * | | | trans | -93.6 | 154 | -173.2 | 36.9 | -33.6 | 0 | 0 | 0 | 114.9 | | |
| 340 | P | 41.8 | Very low | 39.8 | Very low | 119 Ų | 119 | 125.6 Ų | 125.6 | 77% | 0.773 | 76% | 0.755 | S | S | * | * | | | trans | -147.3 | 175.8 | 137.7 | 40 | -25.1 | 0 | 0 | 0 | 115 | | |
| 341 | A | 33.7 | Very low | 39.4 | Very low | 91 Ų | 91 | 124.9 Ų | 124.9 | 75% | 0.752 | 76% | 0.758 | S | S | * | * | | | trans | 55.9 | 113.2 | 162 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 342 | A | 34.5 | Very low | 38.7 | Very low | 90 Ų | 90 | 126.6 Ų | 126.6 | 74% | 0.744 | 76% | 0.756 | S | S | * | * | | | | 60.9 | 113.9 | 57.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 343 | T | 36.6 | Very low | 38.5 | Very low | 119 Ų | 119 | 131.1 Ų | 131.1 | 73% | 0.73 | 76% | 0.756 | S | S | * | * | | | trans | -175 | 148.6 | 131.1 | 17.6 | 0 | 0 | 0 | 0 | 112.5 | | |
| 344 | K | 34 | Very low | 38.2 | Very low | 201 Ų | 201 | 127.2 Ų | 127.2 | 87% | 0.874 | 76% | 0.757 | S | S | * | * | | | trans | 54.5 | 130.1 | 148.9 | -58 | 155.4 | -168.8 | 167.8 | 0 | 118.2 | | |
| 345 | G | 33.6 | Very low | 38 | Very low | 61 Ų | 61 | 125.9 Ų | 125.9 | 63% | 0.629 | 75% | 0.752 | S | S | * | * | | | cis | 159.4 | -170.2 | 1.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 346 | T | 40.9 | Very low | 38.1 | Very low | 147 Ų | 147 | 125.1 Ų | 125.1 | 90% | 0.902 | 76% | 0.757 | S | S | * | * | | | trans | 63.3 | 136.9 | 171.3 | 59.8 | 0 | 0 | 0 | 0 | 117.5 | | |
| 347 | S | 39.4 | Very low | 37.8 | Very low | 94 Ų | 94 | 126.1 Ų | 126.1 | 66% | 0.657 | 76% | 0.757 | S | S | * | * | | | cis | -166.9 | 155.4 | -12.3 | 51.7 | 0 | 0 | 0 | 0 | 111.5 | | |
| 348 | N | 33.3 | Very low | 37.6 | Very low | 135 Ų | 135 | 129.8 Ų | 129.8 | 72% | 0.722 | 76% | 0.762 | S | S | * | * | | | | 27.1 | 141.7 | 126.9 | -52.2 | -4.3 | 0 | 0 | 0 | 119 | | |
| 349 | M | 38.6 | Very low | 37.6 | Very low | 143 Ų | 143 | 130.8 Ų | 130.8 | 70% | 0.704 | 77% | 0.767 | S | S | * | * | | | cis | -143.2 | 149.1 | 21.6 | -60.3 | -90 | 40.8 | 0 | 0 | 108.9 | | |
| 350 | V | 31.2 | Very low | 37.2 | Very low | 120 Ų | 120 | 129 Ų | 129 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | | | | 43.7 | 92.4 | 77.9 | -169.8 | 0 | 0 | 0 | 0 | 115.3 | | |
| 351 | A | 39.1 | Very low | 37.1 | Very low | 100 Ų | 100 | 135.3 Ų | 135.3 | 83% | 0.826 | 76% | 0.764 | S | S | * | * | | | trans | -161.2 | 159 | 136.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 352 | N | 30.2 | Very low | 37.2 | Very low | 121 Ų | 121 | 135.3 Ų | 135.3 | 65% | 0.647 | 76% | 0.758 | S | S | * | * | | | cis | 169.5 | 151.1 | -39.9 | -135.1 | -33.2 | 0 | 0 | 0 | 105.2 | | |
| 353 | R | 40.6 | Very low | 37.9 | Very low | 205 Ų | 205 | 135.2 Ų | 135.2 | 77% | 0.774 | 75% | 0.749 | S | S | * | * | | | trans | 73.9 | 114.6 | 158.4 | -59.6 | 163.4 | -173.1 | -137.2 | -0.7 | 117.5 | | |
| 354 | T | 37.6 | Very low | 38 | Very low | 139 Ų | 139 | 133.6 Ų | 133.6 | 85% | 0.853 | 75% | 0.747 | S | S | * | * | | | | 83.3 | 140.8 | 103 | 58.5 | 0 | 0 | 0 | 0 | 114.8 | | |
| 355 | A | 39.1 | Very low | 38.7 | Very low | 81 Ų | 81 | 130 Ų | 130 | 67% | 0.669 | 74% | 0.735 | S | S | * | * | | | cis | -158.8 | 167 | -11.8 | 0 | 0 | 0 | 0 | 0 | 106.3 | | |
| 356 | N | 39.8 | Very low | 39.7 | Very low | 163 Ų | 163 | 131.9 Ų | 131.9 | 87% | 0.872 | 73% | 0.727 | S | S | * | * | | | cis | -146.4 | 156.1 | 45.1 | -76.5 | -38.3 | 0 | 0 | 0 | 112.2 | | |
| 357 | Q | 35 | Very low | 40.2 | Very low | 178 Ų | 178 | 130.4 Ų | 130.4 | 83% | 0.832 | 71% | 0.713 | S | S | * | * | | | trans | -93 | 152.5 | 167 | -61.3 | 172.2 | -1.2 | 0 | 0 | 110 | | |
| 358 | F | 35.3 | Very low | 40.4 | Very low | 186 Ų | 186 | 128.4 Ų | 128.4 | 82% | 0.816 | 70% | 0.702 | S | S | * | * | | | trans | -145.7 | 83.9 | 154.4 | -155.5 | -103.5 | 0 | 0 | 0 | 112.6 | P360 | F358-P360 HydrophobicContact CD1-CG 3.78Å; F358-P360 HydrophobicContact CD2-CG 4.22Å; F358-P360 HydrophobicContact CE1-CG 3.3Å; F358-P360 HydrophobicContact CE2-CG 3.79Å; F358-P360 HydrophobicContact CG-CG 4.23Å; F358-P360 HydrophobicContact CZ-CG 3.31Å |
| 359 | T | 44.3 | Very low | 41.4 | Very low | 130 Ų | 130 | 129.3 Ų | 129.3 | 80% | 0.798 | 71% | 0.706 | S | S | * | * | | | trans | -126.1 | 93.8 | 162 | 46.8 | 0 | 0 | 0 | 0 | 109.4 | | |
| 360 | P | 41.5 | Very low | 41.8 | Very low | 87 Ų | 87 | 131 Ų | 131 | 57% | 0.565 | 71% | 0.705 | S | S | * | * | | | trans | -98.6 | 106.3 | 174.3 | 9.1 | 11.7 | 0 | 0 | 0 | 110.2 | F358 S362 | F358-P360 HydrophobicContact CD1-CG 3.78Å; F358-P360 HydrophobicContact CD2-CG 4.22Å; F358-P360 HydrophobicContact CE1-CG 3.3Å; F358-P360 HydrophobicContact CE2-CG 3.79Å; F358-P360 HydrophobicContact CG-CG 4.23Å; F358-P360 HydrophobicContact CZ-CG 3.31Å; P360-S362 PolarHBondContact O-N 2.88Å |
| 361 | R | 39.9 | Very low | 42.3 | Very low | 251 Ų | 251 | 130.6 Ų | 130.6 | 95% | 0.947 | 70% | 0.695 | S | S | * | * | | | trans | -88.2 | 91.8 | 168.3 | 172.8 | -172.1 | 162.8 | 154.4 | -4.3 | 108.9 | | |
| 362 | S | 36.7 | Very low | 42.3 | Very low | 90 Ų | 90 | 131 Ų | 131 | 63% | 0.629 | 69% | 0.687 | S | S | * | * | | | trans | -158.3 | 151.8 | 163.1 | 80.1 | 0 | 0 | 0 | 0 | 113.9 | P360 A364 | P360-S362 PolarHBondContact O-N 2.88Å; S362-A364 VanDerWaalsContact C-N 3.25Å; S362-A364 PolarHBondContact O-N 3.15Å |
| 363 | T | 49.4 | Very low | 42.5 | Very low | 89 Ų | 89 | 132.6 Ų | 132.6 | 55% | 0.546 | 69% | 0.691 | S | S | . | * | S | Bend | trans | 55.8 | 1.6 | 138.5 | -40.7 | 0 | 0 | 0 | 0 | 121.1 | H39 | H39-T363 WeakPolarHBondContact NE2-CA 3.44Å; H39-T363 PolarHBondContact NE2-N 3.07Å; H39-T363 VanDerWaalsContact NE2-N 3.15Å; H39-T363 PolarHBondContact NE2-O 3.24Å |
| 364 | A | 38.5 | Very low | 42.3 | Very low | 85 Ų | 85 | 129.5 Ų | 129.5 | 70% | 0.702 | 69% | 0.687 | S | S | * | * | | | trans | -104.9 | 4.1 | 163.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | H39 S362 | H39-A364 VanDerWaalsContact NE2-C 3.32Å; H39-A364 WeakPolarHBondContact NE2-CA 3.18Å; H39-A364 PolarHBondContact NE2-N 3.36Å; S362-A364 VanDerWaalsContact C-N 3.25Å; S362-A364 PolarHBondContact O-N 3.15Å |
| 365 | M | 49.5 | Very low | 42.6 | Very low | 125 Ų | 125 | 130.4 Ų | 130.4 | 62% | 0.616 | 69% | 0.685 | S | S | * | * | | | trans | -73.6 | 0 | 144.4 | -145.1 | 167.8 | -88.1 | 0 | 0 | 124.1 | H39 Q40 | H39-M365 WeakPolarHBondContact CA-O 3.42Å; H39-M365 VanDerWaalsContact CB-C 3.49Å; H39-M365 VanDerWaalsContact CB-O 3.25Å; H39-M365 WeakPolarHBondContact CB-O 3.36Å; H39-M365 PolarHBondContact CD2-O 3.24Å; H39-M365 VanDerWaalsContact ND1-CA 3.3Å; H39-M365 WeakPolarHBondContact ND1-CA 3.37Å; H39-M365 PolarHBondContact ND1-O 2.88Å; H39-M365 WeakPolarHBondContact NE2-CA 3.33Å; H39-M365 PolarHBondContact NE2-N 3.25Å; Q40-M365 HydrophobicContact CG-CB 3.97Å; Q40-M365 HydrophobicContact CG-CG 3.65Å; Q40-M365 HydrophobicContact CG-SD 4.11Å |
| 366 | Q | 53.2 | Low | 42.5 | Very low | 100 Ų | 100 | 132.3 Ų | 132.3 | 47% | 0.467 | 69% | 0.692 | S | S | . | * | | | | 0 | -12.7 | 0 | -74.8 | 86.5 | -3.5 | 0 | 0 | 114.7 | A37 A38 H39 | A37-Q366 CarbonylContact C-O 3.18Å; A38-Q366 PolarHBondContact N-O 3.24Å; A38-Q366 CarbonylContact O-C 3.59Å; A38-Q366 WeakPolarHBondContact O-CA 3.43Å; H39-Q366 WeakPolarHBondContact CD2-CA 2.98Å; H39-Q366 PolarHBondContact CD2-N 3.36Å; H39-Q366 PolarHBondContact CE1-N 2.68Å; H39-Q366 PolarHBondContact CE1-OE1 3.15Å; H39-Q366 WeakPolarHBondContact ND1-CA 3.41Å; H39-Q366 PolarHBondContact ND1-N 3.36Å; H39-Q366 PolarHBondContact ND1-OE1 3.25Å; H39-Q366 PolarHBondContact NE2-N 2.6Å; H39-Q366 PolarHBondContact NE2-OE1 2.76Å; H39-Q366 VanDerWaalsContact NE2-OE1 3.15Å |
| 367 | L | 51.8 | Low | 42.7 | Very low | 117 Ų | 117 | 130.7 Ų | 130.7 | 61% | 0.613 | 69% | 0.691 | S | S | * | * | | | trans | -129 | 72.1 | -170.9 | -60.4 | 176.4 | 0 | 0 | 0 | 115.7 | A37 H39 | A37-L367 HydrophobicContact CB-CD2 4Å; H39-L367 PolarHBondContact CD2-N 2.94Å |
| 368 | A | 43.9 | Very low | 42.6 | Very low | 51 Ų | 51 | 130.5 Ų | 130.5 | 42% | 0.421 | 69% | 0.69 | S | S | . | * | S | Bend | trans | -144.3 | -68.9 | 161.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | A37 A38 | A37-A368 VanDerWaalsContact CA-N 3.28Å; A37-A368 VanDerWaalsContact N-C 3.25Å; A37-A368 PolarHBondContact N-O 3.5Å; A38-A368 HydrophobicContact CB-CB 3.91Å |
| 369 | L | 53.8 | Low | 42.7 | Very low | 155 Ų | 155 | 126.9 Ų | 126.9 | 81% | 0.812 | 69% | 0.685 | S | S | * | * | B | Isolated β-bridge | trans | -84.4 | -10.5 | -156.5 | -60 | 169 | 0 | 0 | 0 | 120.3 | A37 A38 | A37-L369 VanDerWaalsContact C-N 3.34Å; A38-L369 HydrophobicContact CB-CB 3.73Å; A38-L369 HydrophobicContact CB-CD1 4.14Å; A38-L369 HydrophobicContact CB-CG 3.8Å |
| 370 | R | 47.2 | Very low | 42.9 | Very low | 179 Ų | 179 | 125.6 Ų | 125.6 | 68% | 0.675 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -58 | 142.9 | 164.8 | -94.5 | 173.3 | 137.8 | 95.4 | -1 | 106 | V36 A37 | V36-R370 CarbonylContact C-O 3.34Å; V36-R370 WeakPolarHBondContact CA-O 3.26Å; V36-R370 PolarHBondContact N-O 2.98Å; A37-R370 HydrophobicContact CB-CB 4.02Å; A37-R370 HydrophobicContact CB-CG 4.39Å; A37-R370 PolarHBondContact N-O 2.19Å; A37-R370 VanDerWaalsContact O-CA 3.31Å; A37-R370 WeakPolarHBondContact O-CA 3.26Å; A37-R370 WeakPolarHBondContact O-CB 3.44Å; A37-R370 WeakPolarHBondContact O-CG 3.49Å; A37-R370 PolarHBondContact O-N 3.09Å |
| 371 | Q | 41.2 | Very low | 43 | Very low | 111 Ų | 111 | 129.4 Ų | 129.4 | 52% | 0.519 | 69% | 0.694 | S | S | . | * | S | Bend | trans | 62 | 115.6 | 168.6 | -61.6 | 160.2 | -51.9 | 0 | 0 | 113.3 | A35 V36 | A35-Q371 CarbonylContact C-O 3.59Å; A35-Q371 CarbonylContact O-C 3.53Å; A35-Q371 WeakPolarHBondContact O-CB 3.49Å; V36-Q371 PolarHBondContact N-O 3.15Å; V36-Q371 PolarHBondContact O-OE1 2.99Å |
| 372 | V | 40 | Very low | 43.3 | Very low | 108 Ų | 108 | 123.1 Ų | 123.1 | 66% | 0.655 | 68% | 0.683 | S | S | * | * | | | trans | 70.4 | 96.2 | 141.1 | -169.9 | 0 | 0 | 0 | 0 | 115.7 | | |
| 373 | E | 35.1 | Very low | 43.4 | Very low | 155 Ų | 155 | 126.2 Ų | 126.2 | 72% | 0.724 | 69% | 0.693 | S | S | * | * | | | cis | 74.3 | 146 | 36.4 | -146.4 | -167.9 | 141.2 | 0 | 0 | 113.5 | | |
| 374 | M | 35.3 | Very low | 43.1 | Very low | 140 Ų | 140 | 125.3 Ų | 125.3 | 69% | 0.69 | 70% | 0.7 | S | S | * | * | | | trans | 73.5 | 120.3 | 165.3 | -57.8 | -47.6 | -141.5 | 0 | 0 | 122.8 | | |
| 375 | L | 43.6 | Very low | 43.4 | Very low | 158 Ų | 158 | 130.7 Ų | 130.7 | 83% | 0.827 | 71% | 0.708 | S | S | * | * | | | trans | 81.3 | 143 | 132.1 | -89.6 | 51.5 | 0 | 0 | 0 | 124 | | |
| 376 | C | 37.4 | Very low | 43.2 | Very low | 120 Ų | 120 | 130 Ų | 130 | 81% | 0.811 | 71% | 0.713 | S | S | * | * | | | trans | -76.1 | 174.6 | 164 | -101.6 | 0 | 0 | 0 | 0 | 111.2 | | |
| 377 | P | 44.1 | Very low | 42.6 | Very low | 130 Ų | 130 | 129.8 Ų | 129.8 | 84% | 0.844 | 72% | 0.722 | S | S | * | * | | | cis | -147.4 | -146.6 | 33.8 | 43.9 | -20.8 | 0 | 0 | 0 | 116.5 | | |
| 378 | Q | 32.9 | Very low | 42.3 | Very low | 174 Ų | 174 | 127.6 Ų | 127.6 | 81% | 0.813 | 72% | 0.722 | S | S | * | * | | | trans | -129.1 | 164.5 | -174.2 | 163.3 | -175.4 | 5.7 | 0 | 0 | 108.1 | | |
| 379 | P | 38.4 | Very low | 42.7 | Very low | 110 Ų | 110 | 128.8 Ų | 128.8 | 71% | 0.714 | 72% | 0.718 | S | S | * | * | | | cis | -120.7 | -108.7 | 1.1 | 22.4 | 5.3 | 0 | 0 | 0 | 116.9 | | |
| 380 | P | 46.7 | Very low | 42.4 | Very low | 103 Ų | 103 | 127.4 Ų | 127.4 | 67% | 0.669 | 71% | 0.712 | S | S | * | * | | | | -136 | 166.1 | -124.2 | 44.1 | -24.5 | 0 | 0 | 0 | 119.4 | | |
| 381 | L | 45.4 | Very low | 42.4 | Very low | 166 Ų | 166 | 126.6 Ų | 126.6 | 87% | 0.869 | 72% | 0.721 | S | S | * | * | | | trans | -154.4 | 140.5 | 150.6 | -83.4 | 115.4 | 0 | 0 | 0 | 107.2 | | |
| 382 | V | 44.6 | Very low | 42.9 | Very low | 120 Ų | 120 | 125.1 Ų | 125.1 | 73% | 0.727 | 73% | 0.727 | S | S | * | * | | | cis | 89 | 136.9 | 40.8 | -173.9 | 0 | 0 | 0 | 0 | 113.9 | | |
| 383 | D | 40.2 | Very low | 43.3 | Very low | 155 Ų | 155 | 126.5 Ų | 126.5 | 83% | 0.829 | 74% | 0.736 | S | S | * | * | | | trans | 83.7 | 142.5 | 170.7 | -77.8 | -52.9 | 0 | 0 | 0 | 123 | | |
| 384 | G | 43.5 | Very low | 43.7 | Very low | 69 Ų | 69 | 123.9 Ų | 123.9 | 71% | 0.711 | 73% | 0.734 | S | S | * | * | | | trans | 106.4 | 62.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 385 | K | 44.4 | Very low | 44.3 | Very low | 198 Ų | 198 | 125.7 Ų | 125.7 | 86% | 0.861 | 74% | 0.741 | S | S | * | * | | | | 63.8 | 147.3 | 83.4 | -91.1 | -162.9 | 170.8 | 173 | 0 | 116.6 | | |
| 386 | P | 45.1 | Very low | 44.4 | Very low | 110 Ų | 110 | 123.3 Ų | 123.3 | 71% | 0.714 | 74% | 0.744 | S | S | * | * | | | | -134.1 | 165.9 | -120.9 | 40.6 | -24.3 | 0 | 0 | 0 | 117.1 | | |
| 387 | S | 39.4 | Very low | 44.5 | Very low | 96 Ų | 96 | 120.3 Ų | 120.3 | 67% | 0.671 | 73% | 0.734 | S | S | * | * | | | trans | -153.5 | 147.2 | 158 | -69.7 | 0 | 0 | 0 | 0 | 110.9 | F125 | F125-S387 VanDerWaalsContact CE2-CA 3.41Å; F125-S387 VanDerWaalsContact CZ-OG 3.23Å; F125-S387 WeakPolarHBondContact CZ-OG 3.31Å |
| 388 | A | 46.6 | Very low | 44.4 | Very low | 72 Ų | 72 | 120.6 Ų | 120.6 | 60% | 0.595 | 73% | 0.733 | S | S | * | * | | | trans | -162.8 | -130.3 | -158.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | F125 | F125-A388 VanDerWaalsContact CD2-N 3.33Å; F125-A388 VanDerWaalsContact CE2-N 3.28Å |
| 389 | E | 51.6 | Low | 44.7 | Very low | 76 Ų | 76 | 122.2 Ų | 122.2 | 36% | 0.355 | 73% | 0.733 | S | S | . | * | | | trans | 97 | 130.3 | -173.1 | -85.8 | -155.9 | 142.5 | 0 | 0 | 120 | F125 V126 | F125-E389 VanDerWaalsContact CA-CD 3.46Å; F125-E389 WeakPolarHBondContact CA-OE2 3.07Å; F125-E389 PolarHBondContact N-OE2 3Å; V126-E389 WeakPolarHBondContact CA-OE1 3.34Å; V126-E389 HydrophobicContact CB-CG 4.22Å; V126-E389 HydrophobicContact CG1-CG 3.81Å; V126-E389 PolarHBondContact N-OE1 3.33Å |
| 390 | N | 47.5 | Very low | 45.2 | Very low | 125 Ų | 125 | 123.8 Ų | 123.8 | 67% | 0.668 | 74% | 0.741 | S | S | * | * | | | trans | 47.1 | 127.5 | 141.9 | -47.9 | -16.8 | 0 | 0 | 0 | 118.4 | | |
| 391 | D | 47.9 | Very low | 45.3 | Very low | 163 Ų | 163 | 125.2 Ų | 125.2 | 87% | 0.872 | 74% | 0.742 | S | S | * | * | | | cis | -136.1 | 166.4 | 23.2 | -155.3 | -10.4 | 0 | 0 | 0 | 112.4 | | |
| 392 | A | 50.3 | Low | 45.1 | Very low | 79 Ų | 79 | 125.2 Ų | 125.2 | 65% | 0.653 | 74% | 0.744 | S | S | * | * | | | trans | -70.9 | 145.7 | -171.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 393 | V | 49.3 | Very low | 45.2 | Very low | 138 Ų | 138 | 122.2 Ų | 122.2 | 84% | 0.836 | 74% | 0.737 | S | S | * | * | | | | -158.6 | 153.7 | 57.1 | -77.6 | 0 | 0 | 0 | 0 | 113.6 | | |
| 394 | S | 44.1 | Very low | 45.9 | Very low | 99 Ų | 99 | 120.6 Ų | 120.6 | 69% | 0.692 | 73% | 0.728 | S | S | * | * | | | trans | -70.1 | -175.8 | 157.2 | -50.8 | 0 | 0 | 0 | 0 | 110.2 | | |
| 395 | E | 46.8 | Very low | 46.5 | Very low | 179 Ų | 179 | 124.8 Ų | 124.8 | 84% | 0.836 | 73% | 0.734 | S | S | * | * | | | cis | -163.8 | 161.9 | 15.1 | -154.2 | 161.1 | 124.9 | 0 | 0 | 109.9 | | |
| 396 | A | 47.2 | Very low | 47.2 | Very low | 107 Ų | 107 | 120.8 Ų | 120.8 | 88% | 0.884 | 71% | 0.714 | S | S | * | * | | | trans | 59.4 | 152.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 397 | G | 38 | Very low | 48.3 | Very low | 58 Ų | 58 | 119 Ų | 119 | 60% | 0.598 | 70% | 0.702 | S | S | * | * | | | cis | 138.4 | 163.3 | 10.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 398 | T | 43.2 | Very low | 50 | Low | 135 Ų | 135 | 122 Ų | 122 | 83% | 0.828 | 71% | 0.706 | S | S | * | * | | | trans | 63.2 | 106.3 | 178.9 | 66.1 | 0 | 0 | 0 | 0 | 117.6 | T400 | T398-T400 PolarHBondContact O-N 3.09Š|
| 399 | Y | 38.1 | Very low | 51.3 | Low | 208 Ų | 208 | 125.8 Ų | 125.8 | 82% | 0.816 | 71% | 0.711 | S | S | * | * | | | trans | -0.4 | 112.5 | 139.3 | -62.4 | -97 | 0 | 0 | 0 | 118.5 | | |
| 400 | T | 49.4 | Very low | 52.3 | Low | 143 Ų | 143 | 126.4 Ų | 126.4 | 88% | 0.877 | 71% | 0.713 | S | S | * | * | | | trans | -117.4 | 98.5 | 137.4 | 41 | 0 | 0 | 0 | 0 | 105.6 | T398 | T398-T400 PolarHBondContact O-N 3.09Š|
| 401 | L | 49.5 | Very low | 53.6 | Low | 133 Ų | 133 | 124 Ų | 124 | 70% | 0.696 | 70% | 0.697 | S | S | * | * | | | cis | 61.7 | 111.7 | 40.6 | -112.9 | 177.5 | 0 | 0 | 0 | 111.5 | G403 | L401-G403 PolarHBondContact O-N 2.67Š|
| 402 | D | 40.2 | Very low | 54.8 | Low | 167 Ų | 167 | 120.8 Ų | 120.8 | 89% | 0.893 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -54.4 | 122.5 | -166 | -50.8 | -88.2 | 0 | 0 | 0 | 113.5 | | |
| 403 | G | 47.8 | Very low | 55.8 | Low | 57 Ų | 57 | 122.8 Ų | 122.8 | 59% | 0.588 | 68% | 0.679 | S | S | * | * | | | trans | -160.7 | -21.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 117.9 | L401 N405 | L401-G403 PolarHBondContact O-N 2.67Å; G403-N405 PolarHBondContact O-N 3.23Å |
| 404 | D | 55.1 | Low | 56.5 | Low | 120 Ų | 120 | 122 Ų | 122 | 64% | 0.642 | 67% | 0.668 | S | S | * | * | | | trans | -78.8 | 31.7 | -168.5 | -153.1 | 30.2 | 0 | 0 | 0 | 114.6 | Y406 K411 | D404-Y406 PolarHBondContact O-N 2.88Å; D404-Y406 VanDerWaalsContact O-N 3.17Å; D404-K411 WeakPolarHBondContact OD1-CE 3.19Å; D404-K411 IonicContact OD1-NZ 3.32Å; D404-K411 PolarHBondContact OD1-NZ 2.72Å; D404-K411 IonicContact OD2-NZ 3.66Å; D404-K411 PolarHBondContact OD2-NZ 3.29Å |
| 405 | N | 54.4 | Low | 57.5 | Low | 158 Ų | 158 | 120.5 Ų | 120.5 | 85% | 0.845 | 65% | 0.652 | S | S | * | * | | | trans | -86.7 | 33.7 | -177.4 | -159.4 | 17.5 | 0 | 0 | 0 | 112.5 | G403 | G403-N405 PolarHBondContact O-N 3.23Š|
| 406 | Y | 59.4 | Low | 57.9 | Low | 113 Ų | 113 | 116.7 Ų | 116.7 | 44% | 0.443 | 64% | 0.636 | S | S | . | * | | | trans | -82.2 | 130.3 | 164.2 | -69.2 | -72 | 0 | 0 | 0 | 108.3 | D404 Q410 M414 | D404-Y406 PolarHBondContact O-N 2.88Å; D404-Y406 VanDerWaalsContact O-N 3.17Å; Y406-Q410 HydrophobicContact CD1-CB 3.9Å; Y406-Q410 HydrophobicContact CG-CB 4.43Å; Y406-M414 HydrophobicContact CD1-SD 4.27Å; Y406-M414 HydrophobicContact CE1-SD 3.79Å; Y406-M414 HydrophobicContact CE2-SD 4.34Å |
| 407 | T | 69.4 | Low | 58.4 | Low | 74 Ų | 74 | 118.5 Ų | 118.5 | 45% | 0.454 | 63% | 0.631 | S | S | . | * | | | trans | -61.5 | 159.6 | 168.8 | 57.9 | 0 | 0 | 0 | 0 | 110.6 | E409 Q410 K411 | T407-E409 PolarHBondContact O-N 3.01Å; T407-Q410 WeakPolarHBondContact O-CA 3.09Å; T407-Q410 PolarHBondContact O-N 2.74Å; T407-Q410 WeakPolarHBondContact OG1-CG 3.42Å; T407-Q410 PolarHBondContact OG1-N 3.27Å; T407-K411 PolarHBondContact O-N 3.04Å |
| 408 | E | 75.3 | Confident | 59.3 | Low | 159 Ų | 159 | 124.6 Ų | 124.6 | 74% | 0.743 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -46.7 | -46 | 170.7 | -151.3 | 78.5 | -170.3 | 0 | 0 | 110.7 | Q410 K411 D412 | E408-Q410 VanDerWaalsContact C-N 3.33Å; E408-Q410 PolarHBondContact O-N 2.92Å; E408-K411 PolarHBondContact O-N 3.18Å; E408-D412 PolarHBondContact O-N 3.34Å |
| 409 | E | 73.9 | Confident | 59.8 | Low | 150 Ų | 150 | 122.4 Ų | 122.4 | 70% | 0.701 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -59.4 | -36.6 | 176.1 | -58 | -179.8 | -178.5 | 0 | 0 | 113.2 | T407 L413 | T407-E409 PolarHBondContact O-N 3.01Å; E409-L413 WeakPolarHBondContact O-CB 3.05Å; E409-L413 WeakPolarHBondContact O-CD1 3.32Å; E409-L413 WeakPolarHBondContact O-CG 3.5Å; E409-L413 PolarHBondContact O-N 2.93Å |
| 410 | Q | 71 | Confident | 60.6 | Low | 89 Ų | 89 | 119.3 Ų | 119.3 | 42% | 0.416 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -78.5 | -31.5 | 176.5 | -74.4 | -177.3 | -91.9 | 0 | 0 | 113.2 | Y406 T407 E408 L413 M414 | Y406-Q410 HydrophobicContact CD1-CB 3.9Å; Y406-Q410 HydrophobicContact CG-CB 4.43Å; T407-Q410 WeakPolarHBondContact O-CA 3.09Å; T407-Q410 PolarHBondContact O-N 2.74Å; T407-Q410 WeakPolarHBondContact OG1-CG 3.42Å; T407-Q410 PolarHBondContact OG1-N 3.27Å; E408-Q410 VanDerWaalsContact C-N 3.33Å; E408-Q410 PolarHBondContact O-N 2.92Å; Q410-L413 PolarHBondContact O-N 2.78Å; Q410-M414 WeakPolarHBondContact O-CG 3.27Å; Q410-M414 PolarHBondContact O-N 3.14Å |
| 411 | K | 75.7 | Confident | 60.9 | Low | 75 Ų | 75 | 120.8 Ų | 120.8 | 33% | 0.326 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -65.8 | -43.2 | 170.2 | -73.8 | -172.7 | 173.4 | -179 | 0 | 110.5 | D404 T407 E408 L413 M414 N415 | D404-K411 WeakPolarHBondContact OD1-CE 3.19Å; D404-K411 IonicContact OD1-NZ 3.32Å; D404-K411 PolarHBondContact OD1-NZ 2.72Å; D404-K411 IonicContact OD2-NZ 3.66Å; D404-K411 PolarHBondContact OD2-NZ 3.29Å; T407-K411 PolarHBondContact O-N 3.04Å; E408-K411 PolarHBondContact O-N 3.18Å; K411-L413 PolarHBondContact O-N 2.89Å; K411-M414 CarbonylContact O-C 3.58Å; K411-M414 PolarHBondContact O-N 3Å; K411-M414 VanDerWaalsContact O-N 3.08Å; K411-N415 WeakPolarHBondContact O-CB 3.33Å; K411-N415 VanDerWaalsContact O-CG 3.23Å; K411-N415 PolarHBondContact O-N 3.45Å; K411-N415 PolarHBondContact O-ND2 3.11Å; K411-N415 VanDerWaalsContact O-ND2 3.14Å |
| 412 | D | 73.5 | Confident | 61 | Low | 96 Ų | 96 | 121.4 Ų | 121.4 | 51% | 0.513 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -62 | -39.5 | 172.7 | -86.2 | -9.3 | 0 | 0 | 0 | 113 | E408 M414 N415 | E408-D412 PolarHBondContact O-N 3.34Å; D412-M414 PolarHBondContact O-N 2.76Å; D412-N415 PolarHBondContact O-N 2.64Å |
| 413 | L | 70.2 | Confident | 61.2 | Low | 121 Ų | 121 | 117.6 Ų | 117.6 | 63% | 0.634 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -70.7 | -12.5 | 173.9 | -72.9 | 167.5 | 0 | 0 | 0 | 114.1 | E409 Q410 K411 I416 | E409-L413 WeakPolarHBondContact O-CB 3.05Å; E409-L413 WeakPolarHBondContact O-CD1 3.32Å; E409-L413 WeakPolarHBondContact O-CG 3.5Å; E409-L413 PolarHBondContact O-N 2.93Å; Q410-L413 PolarHBondContact O-N 2.78Å; K411-L413 PolarHBondContact O-N 2.89Å; L413-I416 WeakPolarHBondContact O-CD1 3.46Å; L413-I416 WeakPolarHBondContact O-CG1 3.35Å |
| 414 | M | 65.4 | Low | 61.2 | Low | 122 Ų | 122 | 118.6 Ų | 118.6 | 60% | 0.601 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -97.7 | -20.1 | 169.1 | -74 | -179.2 | 59.3 | 0 | 0 | 113 | Y406 Q410 K411 D412 I416 | Y406-M414 HydrophobicContact CD1-SD 4.27Å; Y406-M414 HydrophobicContact CE1-SD 3.79Å; Y406-M414 HydrophobicContact CE2-SD 4.34Å; Q410-M414 WeakPolarHBondContact O-CG 3.27Å; Q410-M414 PolarHBondContact O-N 3.14Å; K411-M414 CarbonylContact O-C 3.58Å; K411-M414 PolarHBondContact O-N 3Å; K411-M414 VanDerWaalsContact O-N 3.08Å; D412-M414 PolarHBondContact O-N 2.76Å; M414-I416 PolarHBondContact O-N 2.69Å |
| 415 | N | 63.6 | Low | 60.9 | Low | 67 Ų | 67 | 116.3 Ų | 116.3 | 36% | 0.358 | 60% | 0.602 | S | S | . | * | | | trans | -81.1 | 15.6 | 178.8 | -75 | -34.4 | 0 | 0 | 0 | 114.5 | K411 D412 D417 R418 N419 | K411-N415 WeakPolarHBondContact O-CB 3.33Å; K411-N415 VanDerWaalsContact O-CG 3.23Å; K411-N415 PolarHBondContact O-N 3.45Å; K411-N415 PolarHBondContact O-ND2 3.11Å; K411-N415 VanDerWaalsContact O-ND2 3.14Å; D412-N415 PolarHBondContact O-N 2.64Å; N415-D417 PolarHBondContact O-N 2.68Å; N415-D417 VanDerWaalsContact O-N 3.12Å; N415-R418 PolarHBondContact O-N 3.33Å; N415-N419 PolarHBondContact O-N 2.88Å |
| 416 | I | 56.5 | Low | 60.5 | Low | 98 Ų | 98 | 118.1 Ų | 118.1 | 50% | 0.503 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -55.5 | -35.6 | -172.5 | -67.3 | 176.2 | 0 | 0 | 0 | 112.5 | L413 M414 R418 | L413-I416 WeakPolarHBondContact O-CD1 3.46Å; L413-I416 WeakPolarHBondContact O-CG1 3.35Å; M414-I416 PolarHBondContact O-N 2.69Å; I416-R418 PolarHBondContact O-N 3.28Å |
| 417 | D | 56.4 | Low | 59.7 | Low | 145 Ų | 145 | 121.1 Ų | 121.1 | 78% | 0.775 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -78.4 | -10.7 | 179.3 | -65.4 | -40.9 | 0 | 0 | 0 | 114.8 | N415 | N415-D417 PolarHBondContact O-N 2.68Å; N415-D417 VanDerWaalsContact O-N 3.12Å |
| 418 | R | 57.8 | Low | 58 | Low | 186 Ų | 186 | 129 Ų | 129 | 70% | 0.702 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -88.6 | -37.3 | 172 | -92.1 | -173.8 | 175 | 174.3 | 0.5 | 112.8 | N415 I416 L420 K421 E422 | N415-R418 PolarHBondContact O-N 3.33Å; I416-R418 PolarHBondContact O-N 3.28Å; R418-L420 PolarHBondContact O-N 2.94Å; R418-L420 VanDerWaalsContact O-N 3.16Å; R418-K421 PolarHBondContact O-N 2.76Å; R418-E422 PolarHBondContact O-N 2.78Å |
| 419 | N | 54.1 | Low | 56.3 | Low | 89 Ų | 89 | 127.2 Ų | 127.2 | 48% | 0.476 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -69.4 | -17.3 | -171.3 | -68.4 | -4.7 | 0 | 0 | 0 | 113.7 | N415 | N415-N419 PolarHBondContact O-N 2.88Å |
| 420 | L | 54.7 | Low | 54.9 | Low | 143 Ų | 143 | 129 Ų | 129 | 75% | 0.749 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -76.1 | -27 | 168.3 | -91.2 | 70.3 | 0 | 0 | 0 | 113.7 | R418 | R418-L420 PolarHBondContact O-N 2.94Å; R418-L420 VanDerWaalsContact O-N 3.16Å |
| 421 | K | 54.2 | Low | 53.3 | Low | 174 Ų | 174 | 133.3 Ų | 133.3 | 76% | 0.757 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -81.5 | -34.2 | 180 | -97.5 | 175.3 | 176.8 | 168.3 | 0 | 113 | R418 A424 | R418-K421 PolarHBondContact O-N 2.76Å; K421-A424 PolarHBondContact O-N 2.91Å |
| 422 | E | 52.5 | Low | 51.6 | Low | 147 Ų | 147 | 137.4 Ų | 137.4 | 69% | 0.687 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -81.7 | -24.9 | -174.1 | -161.2 | 151.8 | -160.9 | 0 | 0 | 113.4 | R418 A424 A425 | R418-E422 PolarHBondContact O-N 2.78Å; E422-A424 VanDerWaalsContact C-N 3.25Å; E422-A424 PolarHBondContact O-N 2.73Å; E422-A425 PolarHBondContact O-N 3.38Å |
| 423 | A | 45.5 | Very low | 50 | Low | 87 Ų | 87 | 138 Ų | 138 | 72% | 0.719 | 70% | 0.703 | S | S | * | * | G | 310 helix | trans | -65.2 | -26.2 | 169.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | A425 | A423-A425 VanDerWaalsContact C-N 3.35Š|
| 424 | A | 46.7 | Very low | 48.8 | Very low | 78 Ų | 78 | 138.1 Ų | 138.1 | 65% | 0.645 | 71% | 0.708 | S | S | * | * | G | 310 helix | trans | -80.3 | -11.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114 | K421 E422 K426 | K421-A424 PolarHBondContact O-N 2.91Å; E422-A424 VanDerWaalsContact C-N 3.25Å; E422-A424 PolarHBondContact O-N 2.73Å; A424-K426 PolarHBondContact O-N 3.12Å |
| 425 | A | 48.5 | Very low | 47.6 | Very low | 72 Ų | 72 | 140.3 Ų | 140.3 | 60% | 0.595 | 72% | 0.715 | S | S | * | * | G | 310 helix | trans | -88 | 2.2 | -165.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | E422 A423 | E422-A425 PolarHBondContact O-N 3.38Å; A423-A425 VanDerWaalsContact C-N 3.35Å |
| 426 | K | 45.6 | Very low | 46.7 | Very low | 195 Ų | 195 | 142.2 Ų | 142.2 | 85% | 0.848 | 73% | 0.733 | S | S | * | * | G | 310 helix | trans | -113.6 | 13.3 | -170.5 | -80.6 | 178.7 | 177.1 | 167.9 | 0 | 116.7 | A424 | A424-K426 PolarHBondContact O-N 3.12Š|
| 427 | Q | 43.7 | Very low | 45.8 | Very low | 176 Ų | 176 | 143.1 Ų | 143.1 | 82% | 0.822 | 75% | 0.748 | S | S | * | * | | | trans | -122.8 | 93.7 | 168.3 | -77 | -75.1 | -19.2 | 0 | 0 | 109.4 | P429 | Q427-P429 WeakPolarHBondContact O-CD 3.5Š|
| 428 | R | 33.3 | Very low | 45.3 | Very low | 240 Ų | 240 | 147.6 Ų | 147.6 | 91% | 0.906 | 75% | 0.754 | S | S | * | * | | | trans | -80 | 117.8 | 174.9 | -82.2 | 177.6 | 61.7 | -179.1 | 0.2 | 109.9 | | |
| 429 | P | 38.8 | Very low | 44.6 | Very low | 121 Ų | 121 | 142.6 Ų | 142.6 | 79% | 0.786 | 76% | 0.761 | S | S | * | * | | | trans | -79 | 164.7 | 176.7 | 33.7 | -35.9 | 0 | 0 | 0 | 111.9 | Q427 | Q427-P429 WeakPolarHBondContact O-CD 3.5Š|
| 430 | K | 44.3 | Very low | 44.1 | Very low | 189 Ų | 189 | 143.5 Ų | 143.5 | 82% | 0.822 | 77% | 0.774 | S | S | * | * | | | trans | -134.4 | 114.3 | 161.1 | -79 | -173 | 176.1 | -176.7 | 0 | 109.3 | | |
| 431 | Q | 38.8 | Very low | 43.5 | Very low | 178 Ų | 178 | 143.5 Ų | 143.5 | 83% | 0.832 | 77% | 0.774 | S | S | * | * | | | trans | 64.2 | 137.1 | 155.6 | -60 | 168.1 | -15 | 0 | 0 | 115.1 | | |
| 432 | L | 38.9 | Very low | 42.9 | Very low | 161 Ų | 161 | 141.1 Ų | 141.1 | 84% | 0.843 | 77% | 0.774 | S | S | * | * | | | cis | -127.6 | 173.5 | 17.8 | -74.5 | 168.6 | 0 | 0 | 0 | 112.1 | | |
| 433 | P | 41.3 | Very low | 42.3 | Very low | 108 Ų | 108 | 141.7 Ų | 141.7 | 70% | 0.701 | 78% | 0.781 | S | S | * | * | | | trans | -117.1 | -163.8 | -154.3 | 37.9 | -23.9 | 0 | 0 | 0 | 116 | | |
| 434 | V | 43.2 | Very low | 42.5 | Very low | 124 Ų | 124 | 144.9 Ų | 144.9 | 75% | 0.752 | 78% | 0.781 | S | S | * | * | | | trans | 82.5 | 123.3 | 170 | -172.2 | 0 | 0 | 0 | 0 | 114.1 | | |
| 435 | K | 40.6 | Very low | 42.1 | Very low | 169 Ų | 169 | 147 Ų | 147 | 74% | 0.735 | 79% | 0.786 | S | S | * | * | | | cis | -143.9 | 145.3 | -7.8 | -91.4 | 148.9 | -178.3 | 175.7 | 0 | 106 | | |
| 436 | S | 45.8 | Very low | 41.8 | Very low | 107 Ų | 107 | 148.8 Ų | 148.8 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | | | cis | 102.3 | 83.7 | 22.8 | 78.9 | 0 | 0 | 0 | 0 | 116.3 | | |
| 437 | S | 37.7 | Very low | 41.4 | Very low | 116 Ų | 116 | 145.8 Ų | 145.8 | 81% | 0.811 | 77% | 0.77 | S | S | * | * | | | trans | -169.9 | 132.5 | 148.4 | -124 | 0 | 0 | 0 | 0 | 106.7 | | |
| 438 | R | 45.1 | Very low | 41.4 | Very low | 240 Ų | 240 | 147.4 Ų | 147.4 | 91% | 0.906 | 77% | 0.77 | S | S | * | * | | | cis | 57.5 | 124.5 | 25.3 | -59.5 | -166.9 | -173.7 | -168 | 4.5 | 113.6 | | |
| 439 | G | 42.4 | Very low | 41.8 | Very low | 81 Ų | 81 | 143.2 Ų | 143.2 | 84% | 0.835 | 76% | 0.76 | S | S | * | * | | | cis | 140.6 | 101.8 | -3 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 440 | S | 44.7 | Very low | 42 | Very low | 108 Ų | 108 | 146.8 Ų | 146.8 | 76% | 0.755 | 77% | 0.767 | S | S | * | * | | | trans | -151.7 | 133.7 | 171.1 | -156 | 0 | 0 | 0 | 0 | 104.7 | | |
| 441 | N | 41.1 | Very low | 42 | Very low | 142 Ų | 142 | 143.3 Ų | 143.3 | 76% | 0.759 | 76% | 0.761 | S | S | * | * | | | | 56.8 | 105.4 | 59.4 | -66 | -8.7 | 0 | 0 | 0 | 113 | | |
| 442 | V | 42.4 | Very low | 42.1 | Very low | 125 Ų | 125 | 140.8 Ų | 140.8 | 76% | 0.758 | 76% | 0.76 | S | S | * | * | | | trans | 70.9 | 119.6 | 145 | -176.8 | 0 | 0 | 0 | 0 | 118 | | |
| 443 | L | 39.9 | Very low | 42.1 | Very low | 159 Ų | 159 | 140.5 Ų | 140.5 | 83% | 0.832 | 76% | 0.759 | S | S | * | * | | | trans | 62.7 | 163.8 | 172.4 | -90 | 68.6 | 0 | 0 | 0 | 114 | | |
| 444 | E | 50 | Low | 41.9 | Very low | 153 Ų | 153 | 142.5 Ų | 142.5 | 72% | 0.715 | 76% | 0.759 | S | S | * | * | | | cis | -126.1 | 161.7 | 11 | -65.8 | 170.6 | 154.2 | 0 | 0 | 111.8 | | |
| 445 | V | 37.1 | Very low | 41.8 | Very low | 122 Ų | 122 | 143.8 Ų | 143.8 | 74% | 0.739 | 76% | 0.756 | S | S | * | * | | | trans | -103.5 | 87 | 176.4 | -170.9 | 0 | 0 | 0 | 0 | 110.1 | Y447 | V445-Y447 HydrophobicContact CG1-CD2 3.73Å; V445-Y447 HydrophobicContact CG1-CE2 3.71Å; V445-Y447 PolarHBondContact O-N 2.72Å |
| 446 | N | 43.8 | Very low | 41.7 | Very low | 111 Ų | 111 | 143.4 Ų | 143.4 | 59% | 0.594 | 76% | 0.757 | S | S | * | * | | | trans | -81.6 | 84.1 | 179 | -76.5 | -11.1 | 0 | 0 | 0 | 112.1 | Y448 | N446-Y448 HydrophobicContact CB-CD2 4.36Å; N446-Y448 HydrophobicContact CB-CE2 4.06Å; N446-Y448 PolarHBondContact O-N 3.09Å |
| 447 | Y | 37.4 | Very low | 41.4 | Very low | 132 Ų | 132 | 146.1 Ų | 146.1 | 52% | 0.518 | 76% | 0.763 | S | S | . | * | | | trans | -65.7 | 109.7 | 156.4 | -81.7 | -98.2 | 0 | 0 | 0 | 109.3 | V445 H449 T571 | V445-Y447 HydrophobicContact CG1-CD2 3.73Å; V445-Y447 HydrophobicContact CG1-CE2 3.71Å; V445-Y447 PolarHBondContact O-N 2.72Å; Y447-H449 AromaticContact CD1-CD2 3.9Å; Y447-H449 AromaticContact CD1-NE2 3.66Å; Y447-T571 PolarHBondContact OH-O 3.34Å; Y447-T571 PolarHBondContact OH-OG1 3.23Å |
| 448 | Y | 42.7 | Very low | 41.4 | Very low | 210 Ų | 210 | 145.5 Ų | 145.5 | 82% | 0.824 | 76% | 0.756 | S | S | * | * | | | trans | -92.4 | 91.2 | 159 | -77.5 | -82.8 | 0 | 0 | 0 | 108.8 | N446 | N446-Y448 HydrophobicContact CB-CD2 4.36Å; N446-Y448 HydrophobicContact CB-CE2 4.06Å; N446-Y448 PolarHBondContact O-N 3.09Å |
| 449 | H | 42.7 | Very low | 41.2 | Very low | 152 Ų | 152 | 143.4 Ų | 143.4 | 70% | 0.704 | 76% | 0.756 | S | S | * | * | | | trans | -86.9 | 116.9 | 156 | -77.8 | -77.1 | 0 | 0 | 0 | 107.7 | Y447 | Y447-H449 AromaticContact CD1-CD2 3.9Å; Y447-H449 AromaticContact CD1-NE2 3.66Å |
| 450 | E | 41.6 | Very low | 41 | Very low | 196 Ų | 196 | 147.7 Ų | 147.7 | 92% | 0.916 | 76% | 0.755 | S | S | * | * | | | trans | -112 | 132.8 | 162.6 | -166.7 | 162.6 | -135.6 | 0 | 0 | 108.3 | | |
| 451 | T | 45 | Very low | 40.8 | Very low | 116 Ų | 116 | 150.2 Ų | 150.2 | 71% | 0.712 | 76% | 0.759 | S | S | * | * | | | trans | -92.6 | 148.3 | -163.9 | 41.4 | 0 | 0 | 0 | 0 | 113.5 | | |
| 452 | P | 39.9 | Very low | 40.7 | Very low | 125 Ų | 125 | 149.1 Ų | 149.1 | 81% | 0.812 | 76% | 0.76 | S | S | * | * | | | trans | -82.1 | 124.8 | -179.1 | 32.5 | -34.3 | 0 | 0 | 0 | 113.4 | | |
| 453 | L | 39.5 | Very low | 40.8 | Very low | 154 Ų | 154 | 147.5 Ų | 147.5 | 81% | 0.806 | 76% | 0.759 | S | S | * | * | | | trans | -148.3 | 156.9 | 152.7 | -88.8 | 105.4 | 0 | 0 | 0 | 106.7 | | |
| 454 | Q | 36.4 | Very low | 41 | Very low | 151 Ų | 151 | 147.8 Ų | 147.8 | 71% | 0.706 | 76% | 0.756 | S | S | * | * | | | cis | -173.3 | 162.8 | -25.1 | 174 | 155.3 | -24.6 | 0 | 0 | 105.4 | | |
| 455 | E | 42.8 | Very low | 40.7 | Very low | 150 Ų | 150 | 150.8 Ų | 150.8 | 70% | 0.701 | 76% | 0.761 | S | S | * | * | | | trans | 78.8 | 143.2 | 165.3 | -89.1 | 175.1 | 101.9 | 0 | 0 | 122.5 | | |
| 456 | Q | 38.4 | Very low | 41.2 | Very low | 161 Ų | 161 | 150.4 Ų | 150.4 | 75% | 0.752 | 76% | 0.764 | S | S | * | * | | | trans | 67.6 | 81.9 | 149.1 | -63.6 | 176.6 | 40.6 | 0 | 0 | 121.9 | | |
| 457 | L | 39 | Very low | 41.2 | Very low | 165 Ų | 165 | 149.8 Ų | 149.8 | 86% | 0.864 | 77% | 0.768 | S | S | * | * | | | | 16.1 | 153.6 | 105.1 | -136.3 | 79.4 | 0 | 0 | 0 | 118.9 | | |
| 458 | P | 38.5 | Very low | 41.6 | Very low | 103 Ų | 103 | 150.6 Ų | 150.6 | 67% | 0.669 | 79% | 0.787 | S | S | * | * | | | | -132.6 | 163.5 | -60.9 | 40.9 | -27.9 | 0 | 0 | 0 | 113.5 | | |
| 459 | Q | 39 | Very low | 42 | Very low | 196 Ų | 196 | 142 Ų | 142 | 92% | 0.916 | 76% | 0.762 | S | S | * | * | | | trans | -161.5 | 152.7 | 143.7 | -117.7 | 165.7 | 13.4 | 0 | 0 | 116.6 | | |
| 460 | Q | 39.1 | Very low | 42.6 | Very low | 170 Ų | 170 | 137.2 Ų | 137.2 | 79% | 0.794 | 75% | 0.749 | S | S | * | * | | | trans | -76.9 | 169.8 | -161.9 | -59.2 | 164.6 | -49.8 | 0 | 0 | 117 | | |
| 461 | L | 41.2 | Very low | 42.8 | Very low | 162 Ų | 162 | 136.5 Ų | 136.5 | 85% | 0.848 | 74% | 0.739 | S | S | * | * | | | trans | 116.8 | 146.5 | 147.6 | -65.2 | 151.6 | 0 | 0 | 0 | 117 | | |
| 462 | P | 39 | Very low | 43.7 | Very low | 119 Ų | 119 | 135.9 Ų | 135.9 | 77% | 0.773 | 73% | 0.731 | S | S | * | * | | | trans | -138.3 | 168.7 | -145 | 41.7 | -23.4 | 0 | 0 | 0 | 117.3 | | |
| 463 | A | 42.9 | Very low | 44.8 | Very low | 90 Ų | 90 | 134 Ų | 134 | 74% | 0.744 | 71% | 0.714 | S | S | * | * | | | trans | 176.7 | 137.4 | 136.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 464 | Q | 45.6 | Very low | 46 | Very low | 166 Ų | 166 | 132.8 Ų | 132.8 | 78% | 0.776 | 70% | 0.704 | S | S | * | * | | | trans | 48.3 | 155 | 143.1 | -55.8 | -79 | -19.1 | 0 | 0 | 121.7 | | |
| 465 | R | 43.8 | Very low | 47.3 | Very low | 215 Ų | 215 | 129.8 Ų | 129.8 | 81% | 0.811 | 69% | 0.693 | S | S | * | * | | | cis | -177.8 | 178.1 | -48.9 | -113.5 | -176.8 | 176.8 | -164.3 | 0.8 | 108.4 | | |
| 466 | S | 47.8 | Very low | 47.9 | Very low | 114 Ų | 114 | 128.5 Ų | 128.5 | 80% | 0.797 | 69% | 0.685 | S | S | * | * | | | trans | 76.5 | 145 | 167.7 | 86.2 | 0 | 0 | 0 | 0 | 117.7 | | |
| 467 | S | 44.1 | Very low | 48.8 | Very low | 99 Ų | 99 | 124.6 Ų | 124.6 | 69% | 0.692 | 68% | 0.675 | S | S | * | * | S | Bend | cis | -159 | 45 | -20.1 | 48.2 | 0 | 0 | 0 | 0 | 114.4 | | |
| 468 | T | 45.1 | Very low | 49.5 | Very low | 149 Ų | 149 | 127.7 Ų | 127.7 | 91% | 0.914 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -111.1 | -15.9 | 171.4 | 41.1 | 0 | 0 | 0 | 0 | 114.8 | | |
| 469 | G | 51.3 | Low | 50.2 | Low | 29 Ų | 29 | 128.5 Ų | 128.5 | 30% | 0.299 | 68% | 0.678 | S | S | . | * | S | Bend | trans | -84.4 | -24 | 172.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y471 L472 D473 | G469-Y471 VanDerWaalsContact C-N 3.35Å; G469-Y471 PolarHBondContact O-N 2.92Å; G469-L472 PolarHBondContact O-N 2.93Å; G469-D473 PolarHBondContact O-N 3.49Å |
| 470 | A | 54.4 | Low | 51 | Low | 51 Ų | 51 | 126.6 Ų | 126.6 | 42% | 0.421 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -57.9 | -33.6 | -157.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | Q474 | A470-Q474 WeakPolarHBondContact O-CB 3.48Å; A470-Q474 VanDerWaalsContact O-CG 3.25Å; A470-Q474 WeakPolarHBondContact O-CG 3.47Å; A470-Q474 PolarHBondContact O-N 3.36Å |
| 471 | Y | 47 | Very low | 51.1 | Low | 181 Ų | 181 | 127.6 Ų | 127.6 | 71% | 0.71 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -76.1 | -43 | 177 | -173.7 | -109.3 | 0 | 0 | 0 | 112.1 | G469 D473 Q474 L475 | G469-Y471 VanDerWaalsContact C-N 3.35Å; G469-Y471 PolarHBondContact O-N 2.92Å; Y471-D473 VanDerWaalsContact C-N 3.32Å; Y471-D473 PolarHBondContact O-N 3.4Å; Y471-Q474 PolarHBondContact O-N 3.27Å; Y471-L475 HydrophobicContact CD1-CD1 3.83Å; Y471-L475 HydrophobicContact CE1-CD1 3.5Å; Y471-L475 VanDerWaalsContact CE1-CD1 3.5Å; Y471-L475 PolarHBondContact O-N 2.94Å |
| 472 | L | 63 | Low | 51.1 | Low | 104 Ų | 104 | 128.1 Ų | 128.1 | 55% | 0.545 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -66.5 | -35 | 174.7 | -82.1 | 166.9 | 0 | 0 | 0 | 111.7 | G469 L475 K476 | G469-L472 PolarHBondContact O-N 2.93Å; L472-L475 PolarHBondContact O-N 3.42Å; L472-K476 WeakPolarHBondContact O-CB 3.25Å; L472-K476 WeakPolarHBondContact O-CD 3.36Å; L472-K476 WeakPolarHBondContact O-CG 3.23Å; L472-K476 PolarHBondContact O-N 3.21Å |
| 473 | D | 62.7 | Low | 51.2 | Low | 85 Ų | 85 | 130.8 Ų | 130.8 | 46% | 0.455 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -76.1 | -31.1 | 177.9 | -64.2 | -29 | 0 | 0 | 0 | 112.3 | G469 Y471 K476 S477 | G469-D473 PolarHBondContact O-N 3.49Å; Y471-D473 VanDerWaalsContact C-N 3.32Å; Y471-D473 PolarHBondContact O-N 3.4Å; D473-K476 PolarHBondContact O-N 2.93Å; D473-K476 IonicContact OD1-NZ 3.08Å; D473-S477 VanDerWaalsContact O-CB 3.25Å; D473-S477 WeakPolarHBondContact O-CB 3.24Å; D473-S477 PolarHBondContact O-N 3.04Å; D473-S477 PolarHBondContact O-OG 3.37Å |
| 474 | Q | 65.4 | Low | 51.2 | Low | 129 Ų | 129 | 132.9 Ų | 132.9 | 60% | 0.603 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -70.1 | -33.1 | 169 | -76.9 | 177.3 | 42.2 | 0 | 0 | 112.9 | A470 Y471 S477 R478 | A470-Q474 WeakPolarHBondContact O-CB 3.48Å; A470-Q474 VanDerWaalsContact O-CG 3.25Å; A470-Q474 WeakPolarHBondContact O-CG 3.47Å; A470-Q474 PolarHBondContact O-N 3.36Å; Y471-Q474 PolarHBondContact O-N 3.27Å; Q474-S477 PolarHBondContact O-OG 3.11Å; Q474-R478 WeakPolarHBondContact O-CB 3.28Å; Q474-R478 PolarHBondContact O-N 2.87Å |
| 475 | L | 62.9 | Low | 50.9 | Low | 88 Ų | 88 | 129.8 Ų | 129.8 | 46% | 0.461 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -66.9 | -44.4 | 170 | -85.8 | 158.3 | 0 | 0 | 0 | 111.3 | Y471 L472 R478 V479 | Y471-L475 HydrophobicContact CD1-CD1 3.83Å; Y471-L475 HydrophobicContact CE1-CD1 3.5Å; Y471-L475 VanDerWaalsContact CE1-CD1 3.5Å; Y471-L475 PolarHBondContact O-N 2.94Å; L472-L475 PolarHBondContact O-N 3.42Å; L475-R478 PolarHBondContact O-N 3.43Å; L475-V479 WeakPolarHBondContact O-CG2 3.31Å; L475-V479 PolarHBondContact O-N 3.48Å |
| 476 | K | 56.6 | Low | 50.7 | Low | 123 Ų | 123 | 126.5 Ų | 126.5 | 54% | 0.535 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -67.7 | -40.3 | 176.5 | -70.1 | 164.5 | -172 | 173.3 | 0 | 112.7 | L472 D473 R478 V479 L480 | L472-K476 WeakPolarHBondContact O-CB 3.25Å; L472-K476 WeakPolarHBondContact O-CD 3.36Å; L472-K476 WeakPolarHBondContact O-CG 3.23Å; L472-K476 PolarHBondContact O-N 3.21Å; D473-K476 PolarHBondContact O-N 2.93Å; D473-K476 IonicContact OD1-NZ 3.08Å; K476-R478 VanDerWaalsContact C-N 3.27Å; K476-R478 PolarHBondContact O-N 3.22Å; K476-V479 PolarHBondContact O-N 3.26Å; K476-L480 PolarHBondContact O-N 3.34Å |
| 477 | S | 57.3 | Low | 50.4 | Low | 78 Ų | 78 | 126.2 Ų | 126.2 | 55% | 0.545 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -71.7 | -19.5 | 178.9 | 76.2 | 0 | 0 | 0 | 0 | 113.4 | D473 Q474 | D473-S477 VanDerWaalsContact O-CB 3.25Å; D473-S477 WeakPolarHBondContact O-CB 3.24Å; D473-S477 PolarHBondContact O-N 3.04Å; D473-S477 PolarHBondContact O-OG 3.37Å; Q474-S477 PolarHBondContact O-OG 3.11Å |
| 478 | R | 52.8 | Low | 50.5 | Low | 230 Ų | 230 | 127.1 Ų | 127.1 | 87% | 0.868 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -83.3 | -16 | 167.8 | -82 | -176.4 | 164.4 | 178 | -3.8 | 113.8 | Q474 L475 K476 | Q474-R478 WeakPolarHBondContact O-CB 3.28Å; Q474-R478 PolarHBondContact O-N 2.87Å; L475-R478 PolarHBondContact O-N 3.43Å; K476-R478 VanDerWaalsContact C-N 3.27Å; K476-R478 PolarHBondContact O-N 3.22Å |
| 479 | V | 53.3 | Low | 50.4 | Low | 121 Ų | 121 | 124.9 Ų | 124.9 | 73% | 0.733 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -96.5 | -23.3 | 176.6 | 171.1 | 0 | 0 | 0 | 0 | 112.1 | L475 K476 | L475-V479 WeakPolarHBondContact O-CG2 3.31Å; L475-V479 PolarHBondContact O-N 3.48Å; K476-V479 PolarHBondContact O-N 3.26Å |
| 480 | L | 54.9 | Low | 49.8 | Very low | 155 Ų | 155 | 129.8 Ų | 129.8 | 81% | 0.812 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -113.6 | 48.5 | -176.9 | -155.9 | 73.2 | 0 | 0 | 0 | 113.9 | K476 | K476-L480 PolarHBondContact O-N 3.34Š|
| 481 | R | 42.3 | Very low | 49.5 | Very low | 191 Ų | 191 | 132.6 Ų | 132.6 | 72% | 0.721 | 69% | 0.693 | S | S | * | * | | | trans | -125.6 | 87.1 | 159.1 | -161.1 | 177.7 | -173 | -150.2 | -3 | 109.7 | Q1302 | R481-Q1302 PolarHBondContact NH2-O 3.45Å; R481-Q1302 PolarHBondContact NH2-OXT 3.49Å |
| 482 | Q | 40.5 | Very low | 49.4 | Very low | 174 Ų | 174 | 129.3 Ų | 129.3 | 81% | 0.813 | 69% | 0.694 | S | S | * | * | | | trans | -119.1 | 159.9 | 176.2 | -168.1 | -176.5 | 82.9 | 0 | 0 | 108.5 | | |
| 483 | Q | 42.7 | Very low | 48.3 | Very low | 174 Ų | 174 | 129.5 Ų | 129.5 | 81% | 0.813 | 70% | 0.704 | S | S | * | * | | | trans | 79.1 | 141.7 | -171.7 | -51.4 | 174.2 | 6.1 | 0 | 0 | 113.8 | | |
| 484 | V | 41.5 | Very low | 47.7 | Very low | 135 Ų | 135 | 131 Ų | 131 | 82% | 0.818 | 72% | 0.718 | S | S | * | * | | | cis | 165.9 | 151.7 | -26.7 | 128.7 | 0 | 0 | 0 | 0 | 106.8 | | |
| 485 | P | 39.9 | Very low | 46.5 | Very low | 100 Ų | 100 | 129.3 Ų | 129.3 | 65% | 0.649 | 73% | 0.727 | S | S | * | * | | | cis | -126.4 | -171.1 | -24 | 33.3 | -12.5 | 0 | 0 | 0 | 112.6 | | |
| 486 | L | 40.2 | Very low | 45.8 | Very low | 147 Ų | 147 | 129.7 Ų | 129.7 | 77% | 0.77 | 74% | 0.742 | S | S | * | * | | | trans | 145.2 | 100.8 | 134.3 | -79.1 | 163.9 | 0 | 0 | 0 | 115.2 | | |
| 487 | S | 40.9 | Very low | 45.3 | Very low | 107 Ų | 107 | 131.1 Ų | 131.1 | 75% | 0.748 | 76% | 0.756 | S | S | * | * | | | trans | 55.3 | 143.4 | 145.6 | 43.5 | 0 | 0 | 0 | 0 | 123.3 | | |
| 488 | P | 45.5 | Very low | 44.4 | Very low | 118 Ų | 118 | 135.7 Ų | 135.7 | 77% | 0.766 | 77% | 0.771 | S | S | * | * | | | trans | -97.7 | -161.9 | 178.4 | 46.9 | -41.1 | 0 | 0 | 0 | 110.7 | | |
| 489 | P | 43.5 | Very low | 44.1 | Very low | 102 Ų | 102 | 128.3 Ų | 128.3 | 66% | 0.662 | 77% | 0.766 | S | S | * | * | | | cis | -146.8 | 178.6 | 7.6 | 39.3 | -16.5 | 0 | 0 | 0 | 120.2 | | |
| 490 | T | 39.3 | Very low | 43.4 | Very low | 132 Ų | 132 | 128.1 Ų | 128.1 | 81% | 0.81 | 77% | 0.769 | S | S | * | * | | | trans | 80.7 | 155.4 | 146.3 | 37.9 | 0 | 0 | 0 | 0 | 121.7 | | |
| 491 | P | 47.5 | Very low | 42.3 | Very low | 111 Ų | 111 | 129.8 Ų | 129.8 | 72% | 0.721 | 77% | 0.77 | S | S | * | * | | | trans | -119.2 | -145.1 | -162.3 | 44.3 | -26.3 | 0 | 0 | 0 | 110.6 | | |
| 492 | P | 44.8 | Very low | 42.3 | Very low | 111 Ų | 111 | 126.5 Ų | 126.5 | 72% | 0.721 | 77% | 0.771 | S | S | * | * | | | cis | -140.7 | -168 | -8.2 | 34.3 | -10.5 | 0 | 0 | 0 | 117.1 | | |
| 493 | S | 40.1 | Very low | 41.9 | Very low | 108 Ų | 108 | 123.1 Ų | 123.1 | 76% | 0.755 | 77% | 0.767 | S | S | * | * | | | trans | 93.3 | 163.7 | 140.9 | -126.5 | 0 | 0 | 0 | 0 | 118 | | |
| 494 | P | 50.4 | Low | 41.8 | Very low | 117 Ų | 117 | 120.8 Ų | 120.8 | 76% | 0.76 | 76% | 0.764 | S | S | * | * | | | | -141.1 | -165.3 | -73.3 | 44 | -27.6 | 0 | 0 | 0 | 114.8 | | |
| 495 | A | 39.4 | Very low | 41.8 | Very low | 94 Ų | 94 | 120 Ų | 120 | 78% | 0.777 | 76% | 0.759 | S | S | * | * | | | trans | 104 | 161.1 | 149.2 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 496 | A | 48.7 | Very low | 41.4 | Very low | 96 Ų | 96 | 121.2 Ų | 121.2 | 79% | 0.793 | 77% | 0.765 | S | S | * | * | | | trans | 62.1 | 100.8 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 497 | D | 45.5 | Very low | 41.2 | Very low | 153 Ų | 153 | 119.2 Ų | 119.2 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | | | cis | 94.4 | 154.4 | 27 | -160.3 | 26.8 | 0 | 0 | 0 | 115.5 | | |
| 498 | M | 39.7 | Very low | 40.9 | Very low | 173 Ų | 173 | 117.3 Ų | 117.3 | 85% | 0.852 | 76% | 0.761 | S | S | * | * | | | trans | 82.8 | 105.5 | 176.8 | -46.9 | -135.4 | 78.1 | 0 | 0 | 117.1 | | |
| 499 | G | 45.6 | Very low | 40.3 | Very low | 75 Ų | 75 | 116.3 Ų | 116.3 | 77% | 0.773 | 75% | 0.753 | S | S | * | * | | | trans | -179.1 | 27.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 121.6 | | |
| 500 | C | 39.2 | Very low | 40.2 | Very low | 117 Ų | 117 | 118.1 Ų | 118.1 | 79% | 0.791 | 76% | 0.756 | S | S | * | * | | | trans | 65.8 | 103.3 | 173 | -148.6 | 0 | 0 | 0 | 0 | 116.4 | | |
| 501 | F | 32.2 | Very low | 40.3 | Very low | 191 Ų | 191 | 115.4 Ų | 115.4 | 84% | 0.838 | 75% | 0.747 | S | S | * | * | | | | 52.7 | 122.2 | 81.9 | -77.1 | -111 | 0 | 0 | 0 | 114.6 | | |
| 502 | T | 40.5 | Very low | 39.8 | Very low | 122 Ų | 122 | 118 Ų | 118 | 75% | 0.748 | 75% | 0.747 | S | S | * | * | | | cis | -139.8 | 131.9 | 5 | 51.2 | 0 | 0 | 0 | 0 | 113.1 | | |
| 503 | S | 33.5 | Very low | 39.4 | Very low | 103 Ų | 103 | 119.1 Ų | 119.1 | 72% | 0.72 | 74% | 0.743 | S | S | * | * | | | trans | -81.6 | 179.1 | 157.3 | 49.7 | 0 | 0 | 0 | 0 | 111 | | |
| 504 | V | 40.4 | Very low | 39.3 | Very low | 124 Ų | 124 | 123.7 Ų | 123.7 | 75% | 0.752 | 74% | 0.743 | S | S | * | * | | | | 166 | 144.6 | 98.4 | 153.9 | 0 | 0 | 0 | 0 | 106.5 | | |
| 505 | T | 41.8 | Very low | 38.6 | Very low | 118 Ų | 118 | 122 Ų | 122 | 72% | 0.724 | 74% | 0.739 | S | S | * | * | | | cis | -156.7 | 172 | -27.9 | 37.4 | 0 | 0 | 0 | 0 | 107.3 | | |
| 506 | T | 31.5 | Very low | 38.7 | Very low | 126 Ų | 126 | 124.8 Ų | 124.8 | 77% | 0.773 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -96.7 | 158 | 162.3 | 47.4 | 0 | 0 | 0 | 0 | 111.9 | | |
| 507 | S | 34.6 | Very low | 38.1 | Very low | 105 Ų | 105 | 126 Ų | 126 | 73% | 0.734 | 73% | 0.734 | S | S | * | * | | | trans | 61.6 | 150.7 | 171.4 | 70.6 | 0 | 0 | 0 | 0 | 118.3 | | |
| 508 | G | 36 | Very low | 37.9 | Very low | 68 Ų | 68 | 124.9 Ų | 124.9 | 70% | 0.701 | 73% | 0.732 | S | S | * | * | | | trans | 148.1 | 91 | 168.4 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 509 | V | 32.7 | Very low | 37.7 | Very low | 96 Ų | 96 | 124.5 Ų | 124.5 | 58% | 0.582 | 73% | 0.728 | S | S | * | * | | | trans | -38.9 | 146.1 | 170.5 | -155.7 | 0 | 0 | 0 | 0 | 116.7 | Y913 | V509-Y913 HydrophobicContact CG1-CE1 4.43Š|
| 510 | L | 41.5 | Very low | 37.6 | Very low | 141 Ų | 141 | 125.9 Ų | 125.9 | 74% | 0.738 | 72% | 0.724 | S | S | * | * | | | | 151.8 | 126.4 | 124.9 | -75.5 | 173.6 | 0 | 0 | 0 | 115.9 | Y913 | L510-Y913 WeakPolarHBondContact CA-OH 3.47Å; L510-Y913 HydrophobicContact CD2-CE1 3.98Å; L510-Y913 WeakPolarHBondContact CD2-OH 3.1Å |
| 511 | A | 41.5 | Very low | 37.4 | Very low | 75 Ų | 75 | 129 Ų | 129 | 62% | 0.62 | 72% | 0.724 | S | S | * | * | | | trans | 63.6 | 158.9 | 151.1 | 0 | 0 | 0 | 0 | 0 | 123 | Y913 | A511-Y913 PolarHBondContact N-OH 3.35Š|
| 512 | K | 36.4 | Very low | 37.8 | Very low | 165 Ų | 165 | 127 Ų | 127 | 72% | 0.717 | 72% | 0.721 | S | S | * | * | | | cis | -175 | 138.1 | -32.9 | -173.5 | 165 | -176.9 | 170.8 | 0 | 111.5 | | |
| 513 | Q | 37 | Very low | 37.5 | Very low | 135 Ų | 135 | 125.4 Ų | 125.4 | 63% | 0.631 | 72% | 0.715 | S | S | * | * | | | trans | 64.7 | 153.2 | 165.5 | -76.2 | 167 | -49.6 | 0 | 0 | 117.7 | | |
| 514 | R | 37.2 | Very low | 37.5 | Very low | 203 Ų | 203 | 128.4 Ų | 128.4 | 77% | 0.766 | 71% | 0.71 | S | S | * | * | | | cis | -147.9 | 139.7 | -5 | -109.5 | 171.6 | -171.9 | 120.7 | -6.3 | 106.6 | | |
| 515 | A | 36.4 | Very low | 37.4 | Very low | 82 Ų | 82 | 129.3 Ų | 129.3 | 68% | 0.678 | 71% | 0.706 | S | S | * | * | | | | 49.3 | 132.1 | 86.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 516 | L | 40.9 | Very low | 37 | Very low | 153 Ų | 153 | 128.4 Ų | 128.4 | 80% | 0.801 | 70% | 0.704 | S | S | * | * | | | cis | -145.2 | 149.8 | 31.1 | -74.9 | 164.6 | 0 | 0 | 0 | 110.9 | | |
| 517 | D | 36 | Very low | 37.6 | Very low | 121 Ų | 121 | 131.1 Ų | 131.1 | 65% | 0.647 | 71% | 0.708 | S | S | * | * | | | | 62.8 | 128.8 | 86.6 | -131 | -7.5 | 0 | 0 | 0 | 113.3 | | |
| 518 | T | 41.3 | Very low | 37.5 | Very low | 129 Ų | 129 | 131.9 Ų | 131.9 | 79% | 0.791 | 71% | 0.713 | S | S | * | * | | | | -159.6 | 158.5 | 59.1 | 42 | 0 | 0 | 0 | 0 | 116.4 | | |
| 519 | H | 36.3 | Very low | 37.5 | Very low | 165 Ų | 165 | 135 Ų | 135 | 76% | 0.764 | 71% | 0.713 | S | S | * | * | | | trans | -71.8 | -177.5 | 172.4 | -72.8 | -73.2 | 0 | 0 | 0 | 113.2 | | |
| 520 | P | 42.2 | Very low | 38.2 | Very low | 105 Ų | 105 | 134.5 Ų | 134.5 | 68% | 0.682 | 71% | 0.714 | S | S | * | * | | | cis | -159 | 176.9 | 27.6 | 46.5 | -23.6 | 0 | 0 | 0 | 123.1 | | |
| 521 | K | 36.5 | Very low | 38.3 | Very low | 181 Ų | 181 | 134.9 Ų | 134.9 | 79% | 0.787 | 72% | 0.722 | S | S | * | * | | | trans | 75 | 127.8 | 138.8 | -86.3 | 169.9 | -178.6 | -177 | 0 | 124.2 | | |
| 522 | L | 40.1 | Very low | 38.4 | Very low | 151 Ų | 151 | 135.7 Ų | 135.7 | 79% | 0.791 | 72% | 0.724 | S | S | * | * | | | trans | 72.6 | 149.2 | 142.2 | -61.6 | 168.7 | 0 | 0 | 0 | 118.4 | | |
| 523 | S | 32.9 | Very low | 38.8 | Very low | 88 Ų | 88 | 134.5 Ų | 134.5 | 62% | 0.615 | 72% | 0.72 | S | S | * | * | | | cis | -152.2 | 170.2 | -2.6 | -153.7 | 0 | 0 | 0 | 0 | 113 | | |
| 524 | R | 34.9 | Very low | 38.9 | Very low | 165 Ų | 165 | 135.9 Ų | 135.9 | 62% | 0.623 | 73% | 0.73 | S | S | * | * | | | trans | 3.6 | 139.2 | 148.8 | -65.2 | 170 | -177.6 | -110.5 | 7.4 | 117.5 | D692 | R524-D692 IonicContact CZ-OD2 2.86Å; R524-D692 IonicContact NE-OD2 3.6Å; R524-D692 IonicContact NH2-OD2 3.89Å; R524-D692 PolarHBondContact NH2-OD2 2.77Å |
| 525 | H | 38 | Very low | 39.1 | Very low | 144 Ų | 144 | 132.3 Ų | 132.3 | 67% | 0.667 | 73% | 0.727 | S | S | * | * | | | cis | -171.1 | 158.6 | 31.7 | -110.5 | -17.2 | 0 | 0 | 0 | 113.8 | | |
| 526 | S | 32.8 | Very low | 39.1 | Very low | 98 Ų | 98 | 133.9 Ų | 133.9 | 69% | 0.685 | 73% | 0.732 | S | S | * | * | | | trans | 32.7 | 106.5 | 149.7 | 65.2 | 0 | 0 | 0 | 0 | 121.8 | | |
| 527 | H | 44.3 | Very low | 39.1 | Very low | 184 Ų | 184 | 131.3 Ų | 131.3 | 85% | 0.852 | 73% | 0.727 | S | S | * | * | | | trans | -137.6 | 133 | 137 | -89.5 | -69.1 | 0 | 0 | 0 | 110.8 | L529 | H527-L529 PolarHBondContact O-N 2.58Š|
| 528 | S | 32.6 | Very low | 39.4 | Very low | 120 Ų | 120 | 133.2 Ų | 133.2 | 84% | 0.839 | 73% | 0.732 | S | S | * | * | | | trans | -76.1 | 104.9 | 179.4 | 53.5 | 0 | 0 | 0 | 0 | 110.7 | | |
| 529 | L | 37 | Very low | 39.1 | Very low | 135 Ų | 135 | 137.2 Ų | 137.2 | 71% | 0.707 | 74% | 0.735 | S | S | * | * | | | trans | -76.2 | 139.2 | 179.5 | -64.9 | -179.8 | 0 | 0 | 0 | 112 | H527 | H527-L529 PolarHBondContact O-N 2.58Š|
| 530 | S | 46.5 | Very low | 39.3 | Very low | 84 Ų | 84 | 136.4 Ų | 136.4 | 59% | 0.587 | 74% | 0.741 | S | S | * | * | | | trans | -71.6 | 161.8 | -179.9 | -177 | 0 | 0 | 0 | 0 | 111.6 | S532 | S530-S532 PolarHBondContact O-N 3.01Š|
| 531 | T | 43.7 | Very low | 39.1 | Very low | 150 Ų | 150 | 135.2 Ų | 135.2 | 92% | 0.92 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -72.1 | 44 | -174.2 | 65.2 | 0 | 0 | 0 | 0 | 114.2 | | |
| 532 | S | 43.8 | Very low | 39 | Very low | 92 Ų | 92 | 134.8 Ų | 134.8 | 64% | 0.643 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -146.8 | 21.7 | -169.8 | 61.5 | 0 | 0 | 0 | 0 | 113.4 | S530 | S530-S532 PolarHBondContact O-N 3.01Š|
| 533 | Q | 44.2 | Very low | 38.9 | Very low | 139 Ų | 139 | 137 Ų | 137 | 65% | 0.65 | 75% | 0.748 | S | S | * | * | | | trans | -138.6 | 17.4 | 176.6 | -65 | -170.9 | -88.2 | 0 | 0 | 113.3 | | |
| 534 | I | 39.9 | Very low | 39 | Very low | 164 Ų | 164 | 136.4 Ų | 136.4 | 84% | 0.841 | 75% | 0.748 | S | S | * | * | | | trans | -101.8 | 91.7 | 162.4 | -57.6 | 176.7 | 0 | 0 | 0 | 105.6 | | |
| 535 | D | 41.6 | Very low | 39.3 | Very low | 129 Ų | 129 | 138.1 Ų | 138.1 | 69% | 0.69 | 76% | 0.76 | S | S | * | * | | | trans | -103.1 | 131.1 | 176.4 | -158.6 | -24.4 | 0 | 0 | 0 | 108.8 | S537 | D535-S537 PolarHBondContact O-N 3.41Š|
| 536 | S | 36.4 | Very low | 39.3 | Very low | 114 Ų | 114 | 139.7 Ų | 139.7 | 80% | 0.797 | 77% | 0.772 | S | S | * | * | S | Bend | trans | 46.5 | 18.4 | 159 | 45.1 | 0 | 0 | 0 | 0 | 123.6 | | |
| 537 | S | 39.4 | Very low | 39.4 | Very low | 100 Ų | 100 | 146.7 Ų | 146.7 | 70% | 0.699 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -160 | 100.2 | 163.1 | 59.3 | 0 | 0 | 0 | 0 | 118 | D535 | D535-S537 PolarHBondContact O-N 3.41Š|
| 538 | E | 43.5 | Very low | 38.9 | Very low | 160 Ų | 160 | 146.4 Ų | 146.4 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -178.9 | -33.8 | 143.1 | -112.3 | -172.8 | 146.3 | 0 | 0 | 114.7 | V540 | E538-V540 PolarHBondContact O-N 2.84Š|
| 539 | Y | 34.3 | Very low | 39 | Very low | 214 Ų | 214 | 145.1 Ų | 145.1 | 84% | 0.839 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -100.5 | 34.1 | -157.2 | -91 | -90.4 | 0 | 0 | 0 | 118.2 | | |
| 540 | V | 40.7 | Very low | 38.8 | Very low | 148 Ų | 148 | 147.5 Ų | 147.5 | 90% | 0.897 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -144.8 | 61.2 | 153.3 | -165.5 | 0 | 0 | 0 | 0 | 109.7 | E538 | E538-V540 PolarHBondContact O-N 2.84Š|
| 541 | S | 38.1 | Very low | 38.1 | Very low | 79 Ų | 79 | 147.4 Ų | 147.4 | 55% | 0.552 | 78% | 0.781 | S | S | * | * | | | trans | -131.4 | 37 | -179.4 | -61.1 | 0 | 0 | 0 | 0 | 113.4 | E543 | S541-E543 PolarHBondContact O-N 3.36Š|
| 542 | N | 33.4 | Very low | 37.8 | Very low | 172 Ų | 172 | 148 Ų | 148 | 92% | 0.92 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.4 | 30.3 | 173 | -77.7 | 18.5 | 0 | 0 | 0 | 113 | | |
| 543 | E | 38.6 | Very low | 37.4 | Very low | 199 Ų | 199 | 149.6 Ų | 149.6 | 93% | 0.93 | 79% | 0.789 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -150.4 | 28.1 | -176.6 | -132.5 | 154.3 | -128.5 | 0 | 0 | 112.1 | S541 | S541-E543 PolarHBondContact O-N 3.36Š|
| 544 | A | 35.1 | Very low | 37 | Very low | 74 Ų | 74 | 146.6 Ų | 146.6 | 61% | 0.612 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -147.8 | 43.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 545 | K | 41.7 | Very low | 36.5 | Very low | 202 Ų | 202 | 144 Ų | 144 | 88% | 0.878 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -172.8 | 55.1 | 168.6 | -109.6 | 158.7 | -172.1 | 177.9 | 0 | 114.9 | | |
| 546 | L | 38.3 | Very low | 36.5 | Very low | 177 Ų | 177 | 142.2 Ų | 142.2 | 93% | 0.927 | 80% | 0.795 | S | S | * | * | | | trans | -150.1 | 43.7 | 166 | -146.4 | 72.3 | 0 | 0 | 0 | 116.5 | | |
| 547 | R | 33.4 | Very low | 36.9 | Very low | 245 Ų | 245 | 142.4 Ų | 142.4 | 93% | 0.925 | 79% | 0.792 | S | S | * | * | | | trans | -112.1 | 132.7 | 134.6 | -59.1 | -74.9 | 180 | 145.1 | -2.6 | 102.4 | | |
| 548 | H | 35.6 | Very low | 37 | Very low | 178 Ų | 178 | 143.6 Ų | 143.6 | 82% | 0.824 | 79% | 0.79 | S | S | * | * | | | cis | -160 | 142.1 | 33.7 | -175.6 | 64 | 0 | 0 | 0 | 103.7 | | |
| 549 | T | 33.7 | Very low | 37.1 | Very low | 93 Ų | 93 | 144.5 Ų | 144.5 | 57% | 0.571 | 79% | 0.786 | S | S | * | * | | | cis | -157.9 | 169.5 | 47.3 | 42.5 | 0 | 0 | 0 | 0 | 112.3 | | |
| 550 | Q | 33.6 | Very low | 37.9 | Very low | 184 Ų | 184 | 141.2 Ų | 141.2 | 86% | 0.86 | 78% | 0.779 | S | S | * | * | | | trans | 30.3 | 136 | 141.1 | -67.7 | 174.8 | -11.2 | 0 | 0 | 121.4 | | |
| 551 | A | 32 | Very low | 38.3 | Very low | 82 Ų | 82 | 136.6 Ų | 136.6 | 68% | 0.678 | 75% | 0.747 | S | S | * | * | | | cis | -167.2 | -179.6 | -3.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 552 | L | 36.2 | Very low | 38.6 | Very low | 162 Ų | 162 | 135.6 Ų | 135.6 | 85% | 0.848 | 74% | 0.744 | S | S | * | * | | | trans | 80 | 114.3 | 159.6 | -59.7 | 171.8 | 0 | 0 | 0 | 120.2 | | |
| 553 | S | 34.7 | Very low | 39.1 | Very low | 126 Ų | 126 | 131.6 Ų | 131.6 | 88% | 0.881 | 72% | 0.719 | S | S | * | * | | | trans | 61.1 | 134.9 | 147.6 | 62 | 0 | 0 | 0 | 0 | 120.6 | | |
| 554 | G | 36.5 | Very low | 39.2 | Very low | 76 Ų | 76 | 131.1 Ų | 131.1 | 78% | 0.784 | 71% | 0.71 | S | S | * | * | | | cis | -179.2 | 156.2 | -4.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 555 | S | 30.5 | Very low | 39.7 | Very low | 110 Ų | 110 | 138.7 Ų | 138.7 | 77% | 0.769 | 72% | 0.723 | S | S | * | * | | | trans | 1.2 | 131.6 | 168.4 | -158.1 | 0 | 0 | 0 | 0 | 122.1 | | |
| 556 | A | 40.2 | Very low | 39.7 | Very low | 92 Ų | 92 | 136.2 Ų | 136.2 | 76% | 0.76 | 72% | 0.719 | S | S | * | * | | | trans | 179.1 | 50.4 | 145.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 557 | T | 45 | Very low | 39.8 | Very low | 118 Ų | 118 | 136 Ų | 136 | 72% | 0.724 | 72% | 0.718 | S | S | * | * | | | | 61.2 | 83.9 | 109.7 | 61.4 | 0 | 0 | 0 | 0 | 116.4 | R559 | T557-R559 PolarHBondContact O-N 3.08Š|
| 558 | D | 42.2 | Very low | 40.3 | Very low | 124 Ų | 124 | 128.6 Ų | 128.6 | 66% | 0.663 | 70% | 0.7 | S | S | * | * | | | trans | -89.4 | 84 | 162.5 | -173.6 | 13.5 | 0 | 0 | 0 | 108.9 | | |
| 559 | R | 45.8 | Very low | 40.4 | Very low | 179 Ų | 179 | 129 Ų | 129 | 68% | 0.675 | 70% | 0.7 | S | S | * | * | | | trans | -118.2 | 34.6 | -176.9 | -154.1 | -172.5 | -175.8 | 170.4 | 3.6 | 113 | T557 E944 | T557-R559 PolarHBondContact O-N 3.08Å; R559-E944 IonicContact CZ-OE1 2.72Å; R559-E944 VanDerWaalsContact CZ-OE1 3.29Å; R559-E944 IonicContact NE-OE1 3.94Å; R559-E944 PolarHBondContact NE-OE1 3.42Å; R559-E944 VanDerWaalsContact NE-OE1 3.09Å; R559-E944 IonicContact NH2-OE1 2.68Å; R559-E944 PolarHBondContact NH2-OE1 3.38Å |
| 560 | Q | 49.9 | Very low | 40.6 | Very low | 146 Ų | 146 | 131.1 Ų | 131.1 | 68% | 0.682 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -134.5 | 46.7 | 175.7 | -60.8 | -173.1 | -77.9 | 0 | 0 | 110.4 | V946 | Q560-V946 CarbonylContact C-O 3.57Š|
| 561 | K | 49.7 | Very low | 40.7 | Very low | 50 Ų | 50 | 127.9 Ų | 127.9 | 22% | 0.217 | 71% | 0.706 | C | S | . | * | S | Bend | trans | -139.9 | 39.8 | 177 | -63.8 | -166.5 | -177.5 | -161.3 | 0 | 119.3 | V946 E947 N948 H949 D951 | K561-V946 CarbonylContact C-O 3.32Å; K561-V946 VanDerWaalsContact C-O 3.28Å; K561-V946 WeakPolarHBondContact CA-O 3.31Å; K561-V946 PolarHBondContact N-O 3.37Å; K561-E947 VanDerWaalsContact CA-O 3.32Å; K561-E947 WeakPolarHBondContact CA-O 3.38Å; K561-N948 WeakPolarHBondContact O-CA 3.44Å; K561-N948 VanDerWaalsContact O-CB 3.27Å; K561-N948 WeakPolarHBondContact O-CB 3.22Å; K561-N948 PolarHBondContact O-ND2 3.23Å; K561-N948 VanDerWaalsContact O-ND2 3.09Å; K561-H949 HydrophobicContact CD-CB 3.94Å; K561-H949 HydrophobicContact CG-CB 4.25Å; K561-D951 IonicContact NZ-OD2 2.74Å; K561-D951 PolarHBondContact NZ-OD2 3.1Å |
| 562 | A | 44.4 | Very low | 41.2 | Very low | 59 Ų | 59 | 128.8 Ų | 128.8 | 49% | 0.488 | 71% | 0.707 | S | S | . | * | B | Isolated β-bridge | trans | -137.7 | -36.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 120.5 | Y564 A945 V946 | A562-Y564 PolarHBondContact O-N 2.77Å; A562-Y564 VanDerWaalsContact O-N 3.08Å; A562-A945 CarbonylContact C-O 3.58Å; A562-A945 VanDerWaalsContact C-O 3.3Å; A562-A945 WeakPolarHBondContact CA-O 3.47Å; A562-A945 WeakPolarHBondContact CB-O 3.47Å; A562-V946 VanDerWaalsContact N-C 3.33Å; A562-V946 PolarHBondContact N-O 2.87Å |
| 563 | E | 44.9 | Very low | 41.1 | Very low | 87 Ų | 87 | 128 Ų | 128 | 41% | 0.407 | 70% | 0.704 | S | S | . | * | | | trans | -64.8 | 113.4 | 173.6 | -71.1 | 157.7 | -170.3 | 0 | 0 | 110.8 | E944 A945 V946 E947 | E563-E944 VanDerWaalsContact CG-O 3.26Å; E563-E944 WeakPolarHBondContact CG-O 3.36Å; E563-A945 VanDerWaalsContact CG-C 3.46Å; E563-A945 VanDerWaalsContact N-C 3.29Å; E563-A945 PolarHBondContact N-O 3.33Å; E563-A945 WeakPolarHBondContact OE1-CA 3.44Å; E563-V946 VanDerWaalsContact N-C 3.3Å; E563-V946 VanDerWaalsContact N-N 3.16Å; E563-E947 WeakPolarHBondContact O-CA 3.45Å; E563-E947 PolarHBondContact O-N 2.75Å |
| 564 | Y | 39 | Very low | 41.2 | Very low | 189 Ų | 189 | 128.3 Ų | 128.3 | 74% | 0.741 | 70% | 0.696 | S | S | * | * | | | | -169 | 57.8 | 126.9 | -104.5 | -61 | 0 | 0 | 0 | 108.9 | A562 L566 E947 | A562-Y564 PolarHBondContact O-N 2.77Å; A562-Y564 VanDerWaalsContact O-N 3.08Å; Y564-L566 VanDerWaalsContact C-N 3.32Å; Y564-L566 PolarHBondContact O-N 3.5Å; Y564-E947 HydrophobicContact CD2-CG 4.05Å; Y564-E947 HydrophobicContact CE2-CG 3.85Å |
| 565 | R | 47.4 | Very low | 41.1 | Very low | 233 Ų | 233 | 132.2 Ų | 132.2 | 88% | 0.879 | 69% | 0.694 | S | S | * | * | | | trans | -77.3 | 83.2 | 175.9 | -64.8 | -172 | 83.5 | 162.2 | 3.4 | 110.8 | N567 | R565-N567 PolarHBondContact O-N 2.81Å; R565-N567 VanDerWaalsContact O-N 3.08Å |
| 566 | L | 41.6 | Very low | 41.4 | Very low | 151 Ų | 151 | 134.8 Ų | 134.8 | 79% | 0.791 | 69% | 0.694 | S | S | * | * | | | trans | 38.1 | 61.6 | 136.2 | -163.7 | 72.7 | 0 | 0 | 0 | 117 | Y564 V568 | Y564-L566 VanDerWaalsContact C-N 3.32Å; Y564-L566 PolarHBondContact O-N 3.5Å; L566-V568 HydrophobicContact CD1-CG2 3.95Å; L566-V568 HydrophobicContact CG-CG2 3.89Å; L566-V568 PolarHBondContact O-N 3.09Å; L566-V568 VanDerWaalsContact O-N 3.17Å |
| 567 | N | 40.4 | Very low | 41.1 | Very low | 171 Ų | 171 | 137.3 Ų | 137.3 | 91% | 0.914 | 69% | 0.689 | S | S | * | * | | | trans | -78.1 | 100.3 | 166.7 | -100.2 | 6.7 | 0 | 0 | 0 | 110.5 | R565 | R565-N567 PolarHBondContact O-N 2.81Å; R565-N567 VanDerWaalsContact O-N 3.08Å |
| 568 | V | 43.7 | Very low | 40.6 | Very low | 90 Ų | 90 | 138.5 Ų | 138.5 | 55% | 0.545 | 69% | 0.687 | S | S | . | * | | | trans | -98.4 | 111.8 | 179.4 | 164.4 | 0 | 0 | 0 | 0 | 109.4 | L566 | L566-V568 HydrophobicContact CD1-CG2 3.95Å; L566-V568 HydrophobicContact CG-CG2 3.89Å; L566-V568 PolarHBondContact O-N 3.09Å; L566-V568 VanDerWaalsContact O-N 3.17Å |
| 569 | F | 36.9 | Very low | 40.3 | Very low | 186 Ų | 186 | 139.8 Ų | 139.8 | 82% | 0.816 | 69% | 0.692 | S | S | * | * | | | trans | 63.2 | 114.6 | -179.2 | -48.9 | -64.1 | 0 | 0 | 0 | 117.3 | | |
| 570 | T | 38.3 | Very low | 39.9 | Very low | 139 Ų | 139 | 135.7 Ų | 135.7 | 85% | 0.853 | 69% | 0.689 | S | S | * | * | | | | -174.8 | 124.3 | 111.6 | 21.4 | 0 | 0 | 0 | 0 | 110.2 | | |
| 571 | T | 35.9 | Very low | 39.3 | Very low | 116 Ų | 116 | 135.4 Ų | 135.4 | 71% | 0.712 | 69% | 0.693 | S | S | * | * | | | trans | -96 | 106.1 | 165.3 | 44.7 | 0 | 0 | 0 | 0 | 109.2 | Y447 | Y447-T571 PolarHBondContact OH-O 3.34Å; Y447-T571 PolarHBondContact OH-OG1 3.23Å |
| 572 | S | 41.2 | Very low | 38.9 | Very low | 100 Ų | 100 | 138.9 Ų | 138.9 | 70% | 0.699 | 72% | 0.718 | S | S | * | * | | | trans | -115 | 135.8 | 160.8 | 51 | 0 | 0 | 0 | 0 | 108.1 | | |
| 573 | N | 35.7 | Very low | 38.4 | Very low | 146 Ų | 146 | 142 Ų | 142 | 78% | 0.781 | 73% | 0.734 | S | S | * | * | | | trans | -144.8 | 113.8 | -177.9 | 176.2 | 12.6 | 0 | 0 | 0 | 109 | | |
| 574 | N | 36.8 | Very low | 38.2 | Very low | 133 Ų | 133 | 144.3 Ų | 144.3 | 71% | 0.711 | 75% | 0.753 | S | S | * | * | | | trans | -152.4 | 110.5 | 152.9 | -123.2 | -41.7 | 0 | 0 | 0 | 111.6 | | |
| 575 | Q | 34.1 | Very low | 38 | Very low | 158 Ų | 158 | 141.8 Ų | 141.8 | 74% | 0.738 | 76% | 0.758 | S | S | * | * | | | trans | 12.4 | 126.6 | 140.9 | -54 | 171.7 | 100 | 0 | 0 | 117.7 | | |
| 576 | Q | 35.4 | Very low | 37.6 | Very low | 164 Ų | 164 | 136 Ų | 136 | 77% | 0.766 | 75% | 0.75 | S | S | * | * | | | | -173.2 | 139.6 | 106.4 | -106.4 | -179.5 | 11 | 0 | 0 | 113.2 | | |
| 577 | H | 34.4 | Very low | 37.6 | Very low | 144 Ų | 144 | 134.6 Ų | 134.6 | 67% | 0.667 | 75% | 0.748 | S | S | * | * | | | trans | 58.5 | 143.6 | 155.4 | -64.6 | -69.9 | 0 | 0 | 0 | 120.4 | | |
| 578 | Q | 35.5 | Very low | 37.6 | Very low | 144 Ų | 144 | 135.3 Ų | 135.3 | 67% | 0.673 | 75% | 0.746 | S | S | * | * | | | cis | -169.5 | 118.8 | -15.6 | -178.2 | 156.7 | 17.1 | 0 | 0 | 113.3 | | |
| 579 | L | 35 | Very low | 37.3 | Very low | 150 Ų | 150 | 136.4 Ų | 136.4 | 79% | 0.785 | 76% | 0.758 | S | S | * | * | | | trans | 68.4 | 164 | 150.1 | -77 | 170.7 | 0 | 0 | 0 | 119.2 | | |
| 580 | P | 37.2 | Very low | 37.7 | Very low | 94 Ų | 94 | 131.6 Ų | 131.6 | 61% | 0.61 | 75% | 0.747 | S | S | * | * | | | | -138.1 | -146.2 | -124.5 | 45.3 | -24.5 | 0 | 0 | 0 | 116 | | |
| 581 | D | 38.1 | Very low | 38.2 | Very low | 140 Ų | 140 | 132.1 Ų | 132.1 | 75% | 0.749 | 74% | 0.74 | S | S | * | * | | | trans | 77.4 | 136.3 | 167.9 | -58 | -32.2 | 0 | 0 | 0 | 118.1 | | |
| 582 | T | 40.1 | Very low | 39.2 | Very low | 122 Ų | 122 | 130.5 Ų | 130.5 | 75% | 0.748 | 74% | 0.739 | S | S | * | * | | | cis | -151 | 145.5 | -14.9 | 20.9 | 0 | 0 | 0 | 0 | 109.5 | | |
| 583 | P | 34.9 | Very low | 39.9 | Very low | 126 Ų | 126 | 128.7 Ų | 128.7 | 82% | 0.818 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -98.4 | 149.8 | -177 | 36.4 | -33.9 | 0 | 0 | 0 | 114.8 | | |
| 584 | T | 40.8 | Very low | 40.7 | Very low | 134 Ų | 134 | 124.9 Ų | 124.9 | 82% | 0.822 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -103.7 | 147 | 169 | 54.2 | 0 | 0 | 0 | 0 | 112.1 | P586 | T584-P586 WeakPolarHBondContact O-CD 3.22Š|
| 585 | T | 34 | Very low | 41.6 | Very low | 136 Ų | 136 | 122.9 Ų | 122.9 | 83% | 0.834 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 122.2 | -166.1 | -42.7 | 0 | 0 | 0 | 0 | 115.5 | | |
| 586 | P | 39.4 | Very low | 42.8 | Very low | 111 Ų | 111 | 123.5 Ų | 123.5 | 72% | 0.721 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -94.7 | 131.4 | 161.1 | 34 | -27.1 | 0 | 0 | 0 | 111.2 | T584 | T584-P586 WeakPolarHBondContact O-CD 3.22Š|
| 587 | T | 41.7 | Very low | 44.1 | Very low | 122 Ų | 122 | 119.7 Ų | 119.7 | 75% | 0.748 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 149 | 167.2 | -34.9 | 0 | 0 | 0 | 0 | 108.8 | | |
| 588 | Q | 40.9 | Very low | 45.7 | Very low | 187 Ų | 187 | 114 Ų | 114 | 87% | 0.874 | 67% | 0.667 | S | S | * | * | | | trans | 78.5 | 73.9 | 172.1 | -49.9 | 176.8 | 71.4 | 0 | 0 | 118 | | |
| 589 | S | 37.4 | Very low | 47.7 | Very low | 113 Ų | 113 | 115.8 Ų | 115.8 | 79% | 0.79 | 68% | 0.675 | S | S | * | * | | | trans | -170.7 | 114.6 | 145.7 | 43.1 | 0 | 0 | 0 | 0 | 111.3 | | |
| 590 | S | 45.3 | Very low | 50.1 | Low | 85 Ų | 85 | 112 Ų | 112 | 59% | 0.594 | 66% | 0.658 | S | S | * | * | | | trans | -158.6 | 31.1 | -177.6 | 76.3 | 0 | 0 | 0 | 0 | 116 | | |
| 591 | E | 48.9 | Very low | 52.2 | Low | 149 Ų | 149 | 115.3 Ų | 115.3 | 70% | 0.696 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -99 | -46.5 | 172.6 | -163.1 | 161.5 | -170.9 | 0 | 0 | 111 | L594 L595 | E591-L594 WeakPolarHBondContact O-CB 3.43Å; E591-L594 PolarHBondContact O-N 3.48Å; E591-L595 PolarHBondContact O-N 2.83Å |
| 592 | A | 56.6 | Low | 54.5 | Low | 83 Ų | 83 | 114.5 Ų | 114.5 | 69% | 0.686 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -60.7 | -45 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113 | L594 L595 | A592-L594 PolarHBondContact O-N 2.98Å; A592-L595 PolarHBondContact O-N 3.36Å |
| 593 | A | 54.9 | Low | 56.9 | Low | 61 Ų | 61 | 111.2 Ų | 111.2 | 50% | 0.504 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -66.2 | -22.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 594 | L | 54 | Low | 59.4 | Low | 67 Ų | 67 | 112.6 Ų | 112.6 | 35% | 0.351 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -72.3 | -47.6 | 175.8 | -125.8 | 70 | 0 | 0 | 0 | 110.6 | E591 A592 Q596 T597 E607 | E591-L594 WeakPolarHBondContact O-CB 3.43Å; E591-L594 PolarHBondContact O-N 3.48Å; A592-L594 PolarHBondContact O-N 2.98Å; L594-Q596 PolarHBondContact O-N 2.85Å; L594-Q596 VanDerWaalsContact O-N 3.11Å; L594-T597 WeakPolarHBondContact O-CB 3.23Å; L594-T597 WeakPolarHBondContact O-CG2 3.28Å; L594-T597 PolarHBondContact O-N 2.98Å; L594-T597 PolarHBondContact O-OG1 2.89Å; L594-E607 VanDerWaalsContact O-OE2 3.09Å |
| 595 | L | 55.4 | Low | 61.8 | Low | 90 Ų | 90 | 110.4 Ų | 110.4 | 47% | 0.471 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -58.9 | -25.7 | -179.4 | -68.4 | 167.2 | 0 | 0 | 0 | 113.6 | E591 A592 T597 E607 | E591-L595 PolarHBondContact O-N 2.83Å; A592-L595 PolarHBondContact O-N 3.36Å; L595-T597 VanDerWaalsContact C-N 3.29Å; L595-E607 HydrophobicContact CD2-CG 4.33Å |
| 596 | Q | 58.2 | Low | 64.6 | Low | 171 Ų | 171 | 109 Ų | 109 | 80% | 0.799 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.8 | -11.8 | 176.3 | -146.7 | 175.2 | 24.2 | 0 | 0 | 113.4 | L594 A598 | L594-Q596 PolarHBondContact O-N 2.85Å; L594-Q596 VanDerWaalsContact O-N 3.11Å; Q596-A598 VanDerWaalsContact C-N 3.31Å |
| 597 | T | 62.8 | Low | 66.9 | Low | 84 Ų | 84 | 104 Ų | 104 | 52% | 0.515 | 56% | 0.555 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79 | -11.6 | 176.2 | 70 | 0 | 0 | 0 | 0 | 113.6 | L594 L595 Q599 | L594-T597 WeakPolarHBondContact O-CB 3.23Å; L594-T597 WeakPolarHBondContact O-CG2 3.28Å; L594-T597 PolarHBondContact O-N 2.98Å; L594-T597 PolarHBondContact O-OG1 2.89Å; L595-T597 VanDerWaalsContact C-N 3.29Å; T597-Q599 PolarHBondContact O-N 3.24Å |
| 598 | A | 69 | Low | 69.1 | Low | 25 Ų | 25 | 106.4 Ų | 106.4 | 21% | 0.207 | 55% | 0.55 | C | S | . | * | | | trans | -77 | 57.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q596 T600 D603 W604 | Q596-A598 VanDerWaalsContact C-N 3.31Å; A598-T600 VanDerWaalsContact C-N 3.3Å; A598-T600 PolarHBondContact O-N 3.32Å; A598-D603 HydrophobicContact CB-CB 4.26Å; A598-W604 HydrophobicContact CB-CE3 4.46Å |
| 599 | Q | 77 | Confident | 71.7 | Confident | 181 Ų | 181 | 98.6 Ų | 98.6 | 85% | 0.846 | 52% | 0.518 | S | S | * | . | | | trans | -64.1 | -29.9 | -178.8 | -72 | -169.5 | -12.2 | 0 | 0 | 113.5 | T597 | T597-Q599 PolarHBondContact O-N 3.24Š|
| 600 | T | 85.5 | Confident | 74.2 | Confident | 72 Ų | 72 | 98.9 Ų | 98.9 | 44% | 0.442 | 50% | 0.501 | S | S | . | . | S | Bend | trans | -111.6 | 158.6 | 177.9 | 81.6 | 0 | 0 | 0 | 0 | 112.9 | A598 Q602 D603 W604 | A598-T600 VanDerWaalsContact C-N 3.3Å; A598-T600 PolarHBondContact O-N 3.32Å; T600-Q602 PolarHBondContact O-N 3.05Å; T600-Q602 VanDerWaalsContact O-N 3.15Å; T600-Q602 WeakPolarHBondContact OG1-CB 3.44Å; T600-Q602 PolarHBondContact OG1-N 2.91Å; T600-Q602 VanDerWaalsContact OG1-N 3.16Å; T600-D603 VanDerWaalsContact CB-OD2 3.24Å; T600-D603 WeakPolarHBondContact CB-OD2 3.41Å; T600-D603 WeakPolarHBondContact CG2-OD2 3.47Å; T600-D603 PolarHBondContact N-OD2 3.39Å; T600-D603 PolarHBondContact O-N 2.83Å; T600-D603 PolarHBondContact OG1-N 2.83Å; T600-D603 PolarHBondContact OG1-OD2 3.17Å; T600-W604 PolarHBondContact O-N 3.09Å |
| 601 | K | 81.6 | Confident | 76.4 | Confident | 162 Ų | 162 | 97.1 Ų | 97.1 | 70% | 0.704 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -53.3 | -30.7 | 167.9 | -177.6 | -179.7 | 176.5 | -175.6 | 0 | 112.3 | I605 | K601-I605 HydrophobicContact CG-CD1 4.14Å; K601-I605 WeakPolarHBondContact O-CD1 3.44Å; K601-I605 VanDerWaalsContact O-CG1 3.23Å; K601-I605 WeakPolarHBondContact O-CG1 3.06Å; K601-I605 PolarHBondContact O-N 2.72Å |
| 602 | Q | 86.8 | Confident | 78.2 | Confident | 123 Ų | 123 | 92.3 Ų | 92.3 | 58% | 0.575 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -70 | -40 | 177.5 | -121 | 69.5 | -14.6 | 0 | 0 | 111.3 | T600 I605 Q606 | T600-Q602 PolarHBondContact O-N 3.05Å; T600-Q602 VanDerWaalsContact O-N 3.15Å; T600-Q602 WeakPolarHBondContact OG1-CB 3.44Å; T600-Q602 PolarHBondContact OG1-N 2.91Å; T600-Q602 VanDerWaalsContact OG1-N 3.16Å; Q602-I605 PolarHBondContact O-N 2.82Å; Q602-Q606 VanDerWaalsContact O-CG 3.28Å; Q602-Q606 WeakPolarHBondContact O-CG 3.34Å; Q602-Q606 PolarHBondContact O-N 3.32Å; Q602-Q606 PolarHBondContact O-NE2 2.96Å |
| 603 | D | 89.6 | Confident | 79.8 | Confident | 53 Ų | 53 | 96.9 Ų | 96.9 | 28% | 0.283 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -70.9 | -42.9 | 179.2 | -52.2 | -48.1 | 0 | 0 | 0 | 110.8 | A598 T600 I605 Q606 E607 | A598-D603 HydrophobicContact CB-CB 4.26Å; T600-D603 VanDerWaalsContact CB-OD2 3.24Å; T600-D603 WeakPolarHBondContact CB-OD2 3.41Å; T600-D603 WeakPolarHBondContact CG2-OD2 3.47Å; T600-D603 PolarHBondContact N-OD2 3.39Å; T600-D603 PolarHBondContact O-N 2.83Å; T600-D603 PolarHBondContact OG1-N 2.83Å; T600-D603 PolarHBondContact OG1-OD2 3.17Å; D603-I605 VanDerWaalsContact C-N 3.29Å; D603-I605 PolarHBondContact O-N 3.06Å; D603-Q606 CarbonylContact O-C 3.19Å; D603-Q606 PolarHBondContact O-N 3.05Å; D603-Q606 VanDerWaalsContact O-N 3.1Å; D603-Q606 PolarHBondContact OD1-NE2 3.2Å; D603-E607 VanDerWaalsContact O-CB 3.31Å; D603-E607 WeakPolarHBondContact O-CB 3.23Å; D603-E607 PolarHBondContact O-N 2.67Å |
| 604 | W | 88.5 | Confident | 81.3 | Confident | 156 Ų | 156 | 96.6 Ų | 96.6 | 59% | 0.591 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -56 | -42.5 | 172 | 179.7 | -96.6 | 0 | 0 | 0 | 112.5 | A598 T600 W608 | A598-W604 HydrophobicContact CB-CE3 4.46Å; T600-W604 PolarHBondContact O-N 3.09Å; W604-W608 WeakPolarHBondContact O-CB 3.16Å; W604-W608 PolarHBondContact O-N 3.08Å |
| 605 | I | 90.1 | Very high | 82.5 | Confident | 87 Ų | 87 | 102.8 Ų | 102.8 | 45% | 0.446 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66.7 | -40.6 | 176.4 | -70.3 | 166.1 | 0 | 0 | 0 | 111.2 | K601 Q602 D603 A609 | K601-I605 HydrophobicContact CG-CD1 4.14Å; K601-I605 WeakPolarHBondContact O-CD1 3.44Å; K601-I605 VanDerWaalsContact O-CG1 3.23Å; K601-I605 WeakPolarHBondContact O-CG1 3.06Å; K601-I605 PolarHBondContact O-N 2.72Å; Q602-I605 PolarHBondContact O-N 2.82Å; D603-I605 VanDerWaalsContact C-N 3.29Å; D603-I605 PolarHBondContact O-N 3.06Å; I605-A609 WeakPolarHBondContact O-CB 3.38Å; I605-A609 PolarHBondContact O-N 3.15Å |
| 606 | Q | 92.8 | Very high | 83.7 | Confident | 107 Ų | 107 | 101.5 Ų | 101.5 | 50% | 0.5 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.6 | -44 | 177 | -74.2 | 174.8 | 89.2 | 0 | 0 | 112.4 | Q602 D603 A609 R610 | Q602-Q606 VanDerWaalsContact O-CG 3.28Å; Q602-Q606 WeakPolarHBondContact O-CG 3.34Å; Q602-Q606 PolarHBondContact O-N 3.32Å; Q602-Q606 PolarHBondContact O-NE2 2.96Å; D603-Q606 CarbonylContact O-C 3.19Å; D603-Q606 PolarHBondContact O-N 3.05Å; D603-Q606 VanDerWaalsContact O-N 3.1Å; D603-Q606 PolarHBondContact OD1-NE2 3.2Å; Q606-A609 CarbonylContact O-C 3.6Å; Q606-A609 PolarHBondContact O-N 3.19Å; Q606-R610 WeakPolarHBondContact O-CB 3.36Å; Q606-R610 PolarHBondContact O-N 2.99Å |
| 607 | E | 87 | Confident | 84.9 | Confident | 5 Ų | 5 | 98.9 Ų | 98.9 | 2% | 0.023 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -66.2 | -46.7 | 177.7 | -175.2 | 113.4 | -105.3 | 0 | 0 | 111.3 | L594 L595 D603 A609 R610 N611 | L594-E607 VanDerWaalsContact O-OE2 3.09Å; L595-E607 HydrophobicContact CD2-CG 4.33Å; D603-E607 VanDerWaalsContact O-CB 3.31Å; D603-E607 WeakPolarHBondContact O-CB 3.23Å; D603-E607 PolarHBondContact O-N 2.67Å; E607-A609 VanDerWaalsContact C-N 3.29Å; E607-A609 PolarHBondContact O-N 3.04Å; E607-R610 WeakPolarHBondContact O-CB 3.4Å; E607-R610 PolarHBondContact O-N 3.42Å; E607-R610 VanDerWaalsContact O-N 3.09Å; E607-R610 IonicContact OE1-CZ 2.76Å; E607-R610 IonicContact OE1-NH1 3.31Å; E607-R610 PolarHBondContact OE1-NH1 3.42Å; E607-N611 WeakPolarHBondContact O-CB 3.38Å; E607-N611 PolarHBondContact O-N 2.81Å |
| 608 | W | 89.7 | Confident | 85.5 | Confident | 174 Ų | 174 | 97.5 Ų | 97.5 | 66% | 0.659 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -58.1 | -42.6 | 172.5 | 177.6 | 82 | 0 | 0 | 0 | 111.4 | W604 N611 A612 | W604-W608 WeakPolarHBondContact O-CB 3.16Å; W604-W608 PolarHBondContact O-N 3.08Å; W608-N611 PolarHBondContact O-N 3.05Å; W608-A612 WeakPolarHBondContact O-CB 3.18Å; W608-A612 PolarHBondContact O-N 3.16Å |
| 609 | A | 93.9 | Very high | 85.5 | Confident | 23 Ų | 23 | 103.4 Ų | 103.4 | 19% | 0.19 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -69 | -30.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | I605 Q606 E607 R613 | I605-A609 WeakPolarHBondContact O-CB 3.38Å; I605-A609 PolarHBondContact O-N 3.15Å; Q606-A609 CarbonylContact O-C 3.6Å; Q606-A609 PolarHBondContact O-N 3.19Å; E607-A609 VanDerWaalsContact C-N 3.29Å; E607-A609 PolarHBondContact O-N 3.04Å; A609-R613 VanDerWaalsContact O-CG 3.23Å; A609-R613 WeakPolarHBondContact O-CG 3.27Å; A609-R613 PolarHBondContact O-N 3.02Å; A609-R613 PolarHBondContact O-NE 3.21Å |
| 610 | R | 91.2 | Very high | 85.1 | Confident | 118 Ų | 118 | 99.7 Ų | 99.7 | 45% | 0.445 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67.7 | -50.4 | 173.3 | -172.7 | -170.3 | -64 | 141.4 | -3.4 | 109.9 | Q606 E607 R613 A614 | Q606-R610 WeakPolarHBondContact O-CB 3.36Å; Q606-R610 PolarHBondContact O-N 2.99Å; E607-R610 WeakPolarHBondContact O-CB 3.4Å; E607-R610 PolarHBondContact O-N 3.42Å; E607-R610 VanDerWaalsContact O-N 3.09Å; E607-R610 IonicContact OE1-CZ 2.76Å; E607-R610 IonicContact OE1-NH1 3.31Å; E607-R610 PolarHBondContact OE1-NH1 3.42Å; R610-R613 PolarHBondContact O-N 3.17Å; R610-A614 PolarHBondContact O-N 2.89Å |
| 611 | N | 91.8 | Very high | 84.1 | Confident | 49 Ų | 49 | 100.6 Ų | 100.6 | 26% | 0.262 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -69.9 | -34.6 | -179.1 | -69.1 | -9 | 0 | 0 | 0 | 112.2 | E607 W608 A614 R615 | E607-N611 WeakPolarHBondContact O-CB 3.38Å; E607-N611 PolarHBondContact O-N 2.81Å; W608-N611 PolarHBondContact O-N 3.05Å; N611-A614 PolarHBondContact O-N 3.45Å; N611-R615 WeakPolarHBondContact O-CB 3.38Å; N611-R615 VanDerWaalsContact O-CG 3.28Å; N611-R615 WeakPolarHBondContact O-CG 3.35Å; N611-R615 PolarHBondContact O-N 3.02Å |
| 612 | A | 86.2 | Confident | 83.1 | Confident | 47 Ų | 47 | 96.3 Ų | 96.3 | 39% | 0.388 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61.9 | -43 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | W608 S616 | W608-A612 WeakPolarHBondContact O-CB 3.18Å; W608-A612 PolarHBondContact O-N 3.16Å; A612-S616 PolarHBondContact O-N 2.85Å; A612-S616 VanDerWaalsContact O-N 3.09Å |
| 613 | R | 89.8 | Confident | 81.7 | Confident | 180 Ų | 180 | 92.7 Ų | 92.7 | 68% | 0.679 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -65.4 | -44.2 | 174.5 | -71 | 174.6 | -139.5 | -159.3 | 4 | 111.8 | A609 R610 R615 S616 L617 | A609-R613 VanDerWaalsContact O-CG 3.23Å; A609-R613 WeakPolarHBondContact O-CG 3.27Å; A609-R613 PolarHBondContact O-N 3.02Å; A609-R613 PolarHBondContact O-NE 3.21Å; R610-R613 PolarHBondContact O-N 3.17Å; R613-R615 PolarHBondContact O-N 3.43Å; R613-S616 WeakPolarHBondContact O-CB 3.09Å; R613-S616 PolarHBondContact O-N 2.84Å; R613-L617 PolarHBondContact O-N 3.27Å |
| 614 | A | 85.9 | Confident | 80.3 | Confident | 55 Ų | 55 | 94.6 Ų | 94.6 | 46% | 0.455 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -59.7 | -46.2 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | R610 N611 S616 L617 A618 | R610-A614 PolarHBondContact O-N 2.89Å; N611-A614 PolarHBondContact O-N 3.45Å; A614-S616 VanDerWaalsContact C-N 3.33Å; A614-S616 PolarHBondContact O-N 2.91Å; A614-L617 PolarHBondContact O-N 3.13Å; A614-A618 WeakPolarHBondContact O-CB 3.47Å; A614-A618 PolarHBondContact O-N 3.09Å |
| 615 | R | 80.5 | Confident | 78.8 | Confident | 196 Ų | 196 | 89.4 Ų | 89.4 | 74% | 0.74 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -64.6 | -33.9 | 176.3 | -67.9 | 176.2 | 85.9 | 177 | 9.4 | 112.6 | N611 R613 Q619 | N611-R615 WeakPolarHBondContact O-CB 3.38Å; N611-R615 VanDerWaalsContact O-CG 3.28Å; N611-R615 WeakPolarHBondContact O-CG 3.35Å; N611-R615 PolarHBondContact O-N 3.02Å; R613-R615 PolarHBondContact O-N 3.43Å; R615-Q619 WeakPolarHBondContact O-CG 3.15Å; R615-Q619 PolarHBondContact O-N 2.63Å |
| 616 | S | 80.5 | Confident | 77.5 | Confident | 63 Ų | 63 | 88.1 Ų | 88.1 | 44% | 0.441 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65.8 | -48.5 | 172 | -162.8 | 0 | 0 | 0 | 0 | 111.7 | A612 R613 A614 A618 Q619 D620 | A612-S616 PolarHBondContact O-N 2.85Å; A612-S616 VanDerWaalsContact O-N 3.09Å; R613-S616 WeakPolarHBondContact O-CB 3.09Å; R613-S616 PolarHBondContact O-N 2.84Å; A614-S616 VanDerWaalsContact C-N 3.33Å; A614-S616 PolarHBondContact O-N 2.91Å; S616-A618 VanDerWaalsContact C-N 3.3Å; S616-A618 PolarHBondContact O-N 2.85Å; S616-Q619 PolarHBondContact O-N 3.32Å; S616-Q619 VanDerWaalsContact O-N 3.11Å; S616-D620 PolarHBondContact O-N 3.28Å |
| 617 | L | 82 | Confident | 76.2 | Confident | 117 Ų | 117 | 85.9 Ų | 85.9 | 61% | 0.613 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -57.7 | -42.7 | 176.4 | -108.2 | 76.9 | 0 | 0 | 0 | 111.8 | R613 A614 Q619 D620 V621 | R613-L617 PolarHBondContact O-N 3.27Å; A614-L617 PolarHBondContact O-N 3.13Å; L617-Q619 VanDerWaalsContact C-N 3.29Å; L617-Q619 PolarHBondContact O-N 2.97Å; L617-D620 PolarHBondContact O-N 2.91Å; L617-V621 WeakPolarHBondContact O-CB 3.42Å; L617-V621 VanDerWaalsContact O-CG2 3.31Å; L617-V621 WeakPolarHBondContact O-CG2 3.09Å; L617-V621 PolarHBondContact O-N 2.86Å |
| 618 | A | 75.5 | Confident | 75.4 | Confident | 55 Ų | 55 | 94.8 Ų | 94.8 | 46% | 0.455 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.8 | -36.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | A614 S616 S622 | A614-A618 WeakPolarHBondContact O-CB 3.47Å; A614-A618 PolarHBondContact O-N 3.09Å; S616-A618 VanDerWaalsContact C-N 3.3Å; S616-A618 PolarHBondContact O-N 2.85Å; A618-S622 VanDerWaalsContact O-CB 3.25Å; A618-S622 WeakPolarHBondContact O-CB 3.39Å; A618-S622 PolarHBondContact O-N 2.82Å; A618-S622 PolarHBondContact O-OG 3.44Å |
| 619 | Q | 69.8 | Low | 74.4 | Confident | 148 Ų | 148 | 95.5 Ų | 95.5 | 69% | 0.692 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -70.3 | -43.4 | 174.6 | -71.6 | -174.5 | 6 | 0 | 0 | 112.3 | R615 S616 L617 S622 G623 | R615-Q619 WeakPolarHBondContact O-CG 3.15Å; R615-Q619 PolarHBondContact O-N 2.63Å; S616-Q619 PolarHBondContact O-N 3.32Å; S616-Q619 VanDerWaalsContact O-N 3.11Å; L617-Q619 VanDerWaalsContact C-N 3.29Å; L617-Q619 PolarHBondContact O-N 2.97Å; Q619-S622 PolarHBondContact O-N 3.36Å; Q619-G623 PolarHBondContact O-N 2.79Å |
| 620 | D | 69.2 | Low | 73.4 | Confident | 104 Ų | 104 | 102 Ų | 102 | 56% | 0.556 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -67.2 | -39 | 178.3 | -75.8 | -46.2 | 0 | 0 | 0 | 112.6 | S616 L617 G623 T624 | S616-D620 PolarHBondContact O-N 3.28Å; L617-D620 PolarHBondContact O-N 2.91Å; D620-G623 PolarHBondContact O-N 2.68Å; D620-T624 WeakPolarHBondContact O-CB 3.19Å; D620-T624 WeakPolarHBondContact O-CG2 3.44Å; D620-T624 PolarHBondContact O-N 3.3Å; D620-T624 PolarHBondContact O-OG1 2.95Å |
| 621 | V | 63.1 | Low | 72.5 | Confident | 90 Ų | 90 | 102.3 Ų | 102.3 | 55% | 0.545 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -67.1 | -37.7 | 173.2 | 174 | 0 | 0 | 0 | 0 | 111.1 | L617 T624 S625 | L617-V621 WeakPolarHBondContact O-CB 3.42Å; L617-V621 VanDerWaalsContact O-CG2 3.31Å; L617-V621 WeakPolarHBondContact O-CG2 3.09Å; L617-V621 PolarHBondContact O-N 2.86Å; V621-T624 WeakPolarHBondContact CA-OG1 3.41Å; V621-T624 PolarHBondContact O-OG1 3.17Å; V621-S625 WeakPolarHBondContact O-CB 3.36Å; V621-S625 PolarHBondContact O-N 3.46Å; V621-S625 PolarHBondContact O-OG 3.29Å |
| 622 | S | 61.1 | Low | 71.6 | Confident | 72 Ų | 72 | 105.5 Ų | 105.5 | 50% | 0.503 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -65.6 | -43.2 | 174 | -64 | 0 | 0 | 0 | 0 | 112.1 | A618 Q619 S625 A626 | A618-S622 VanDerWaalsContact O-CB 3.25Å; A618-S622 WeakPolarHBondContact O-CB 3.39Å; A618-S622 PolarHBondContact O-N 2.82Å; A618-S622 PolarHBondContact O-OG 3.44Å; Q619-S622 PolarHBondContact O-N 3.36Å; S622-S625 PolarHBondContact O-OG 3.41Å; S622-A626 VanDerWaalsContact O-CB 3.26Å; S622-A626 WeakPolarHBondContact O-CB 3.17Å; S622-A626 PolarHBondContact O-N 3.01Å |
| 623 | G | 57.8 | Low | 71 | Confident | 47 Ų | 47 | 109.9 Ų | 109.9 | 49% | 0.485 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -65.2 | -45.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q619 D620 A627 | Q619-G623 PolarHBondContact O-N 2.79Å; D620-G623 PolarHBondContact O-N 2.68Å; G623-A627 PolarHBondContact O-N 3.28Å; G623-A627 VanDerWaalsContact O-N 3.14Å |
| 624 | T | 59.8 | Low | 70.3 | Confident | 93 Ų | 93 | 107.9 Ų | 107.9 | 57% | 0.571 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -71 | -40.2 | 179.3 | 52.1 | 0 | 0 | 0 | 0 | 112.6 | D620 V621 A627 R628 | D620-T624 WeakPolarHBondContact O-CB 3.19Å; D620-T624 WeakPolarHBondContact O-CG2 3.44Å; D620-T624 PolarHBondContact O-N 3.3Å; D620-T624 PolarHBondContact O-OG1 2.95Å; V621-T624 WeakPolarHBondContact CA-OG1 3.41Å; V621-T624 PolarHBondContact O-OG1 3.17Å; T624-A627 PolarHBondContact O-N 2.95Å; T624-R628 WeakPolarHBondContact O-CB 3.46Å; T624-R628 PolarHBondContact O-N 3.31Å |
| 625 | S | 57.6 | Low | 69.7 | Low | 48 Ų | 48 | 110.8 Ų | 110.8 | 34% | 0.336 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -67.1 | -38.3 | 176 | 63.3 | 0 | 0 | 0 | 0 | 112.5 | V621 S622 A627 R628 R629 | V621-S625 WeakPolarHBondContact O-CB 3.36Å; V621-S625 PolarHBondContact O-N 3.46Å; V621-S625 PolarHBondContact O-OG 3.29Å; S622-S625 PolarHBondContact O-OG 3.41Å; S625-A627 PolarHBondContact O-N 3.2Å; S625-R628 PolarHBondContact O-N 2.91Å; S625-R629 WeakPolarHBondContact O-CB 3.47Å; S625-R629 WeakPolarHBondContact O-CG 3.25Å; S625-R629 PolarHBondContact O-N 3.15Å |
| 626 | A | 61.6 | Low | 69.3 | Low | 59 Ų | 59 | 107.7 Ų | 107.7 | 49% | 0.488 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -62.2 | -41.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | S622 K630 | S622-A626 VanDerWaalsContact O-CB 3.26Å; S622-A626 WeakPolarHBondContact O-CB 3.17Å; S622-A626 PolarHBondContact O-N 3.01Å; A626-K630 WeakPolarHBondContact O-CB 3.5Å; A626-K630 PolarHBondContact O-N 3.36Å; A626-K630 VanDerWaalsContact O-N 3.15Å |
| 627 | A | 66.2 | Low | 68.9 | Low | 60 Ų | 60 | 107.5 Ų | 107.5 | 50% | 0.496 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -63.9 | -44 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112 | G623 T624 S625 K630 Q631 | G623-A627 PolarHBondContact O-N 3.28Å; G623-A627 VanDerWaalsContact O-N 3.14Å; T624-A627 PolarHBondContact O-N 2.95Å; S625-A627 PolarHBondContact O-N 3.2Å; A627-K630 PolarHBondContact O-N 3.47Å; A627-Q631 PolarHBondContact O-N 2.99Å |
| 628 | R | 69.5 | Low | 68.4 | Low | 193 Ų | 193 | 107.7 Ų | 107.7 | 73% | 0.728 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -64.2 | -46.1 | 179.8 | -154 | 178.8 | -160.6 | -164.4 | 5.9 | 111.8 | T624 S625 K630 Q631 Q632 | T624-R628 WeakPolarHBondContact O-CB 3.46Å; T624-R628 PolarHBondContact O-N 3.31Å; S625-R628 PolarHBondContact O-N 2.91Å; R628-K630 VanDerWaalsContact C-N 3.29Å; R628-K630 PolarHBondContact O-N 2.9Å; R628-Q631 PolarHBondContact O-N 2.76Å; R628-Q632 VanDerWaalsContact O-CB 3.31Å; R628-Q632 WeakPolarHBondContact O-CB 3.47Å; R628-Q632 PolarHBondContact O-N 3.18Å |
| 629 | R | 69.9 | Low | 68.2 | Low | 189 Ų | 189 | 107.2 Ų | 107.2 | 71% | 0.713 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -55.7 | -43.7 | 172.9 | -74.4 | -176.3 | -172.6 | -174.3 | 4.6 | 111.4 | S625 Q632 Q633 | S625-R629 WeakPolarHBondContact O-CB 3.47Å; S625-R629 WeakPolarHBondContact O-CG 3.25Å; S625-R629 PolarHBondContact O-N 3.15Å; R629-Q632 PolarHBondContact O-N 2.81Å; R629-Q633 VanDerWaalsContact O-CB 3.28Å; R629-Q633 WeakPolarHBondContact O-CB 3.2Å; R629-Q633 PolarHBondContact O-N 2.92Å |
| 630 | K | 71.6 | Confident | 68 | Low | 158 Ų | 158 | 106 Ų | 106 | 69% | 0.687 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -68.3 | -35.3 | -179.1 | -157.4 | 166.9 | -168.6 | 167.5 | 0 | 113 | A626 A627 R628 Q634 | A626-K630 WeakPolarHBondContact O-CB 3.5Å; A626-K630 PolarHBondContact O-N 3.36Å; A626-K630 VanDerWaalsContact O-N 3.15Å; A627-K630 PolarHBondContact O-N 3.47Å; R628-K630 VanDerWaalsContact C-N 3.29Å; R628-K630 PolarHBondContact O-N 2.9Å; K630-Q634 WeakPolarHBondContact O-CB 3.45Å; K630-Q634 PolarHBondContact O-N 2.78Å |
| 631 | Q | 73 | Confident | 67.8 | Low | 125 Ų | 125 | 103.4 Ų | 103.4 | 58% | 0.584 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -70.8 | -42.1 | 172.8 | -174.1 | 173.5 | -3.2 | 0 | 0 | 111.9 | A627 R628 Q634 Q635 | A627-Q631 PolarHBondContact O-N 2.99Å; R628-Q631 PolarHBondContact O-N 2.76Å; Q631-Q634 PolarHBondContact O-N 2.99Å; Q631-Q635 PolarHBondContact O-N 3.05Å |
| 632 | Q | 73.6 | Confident | 67.7 | Low | 116 Ų | 116 | 105 Ų | 105 | 54% | 0.542 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -66.4 | -41 | 179.3 | -165.1 | 171.5 | 18.5 | 0 | 0 | 111.9 | R628 R629 Q634 Q635 Q636 | R628-Q632 VanDerWaalsContact O-CB 3.31Å; R628-Q632 WeakPolarHBondContact O-CB 3.47Å; R628-Q632 PolarHBondContact O-N 3.18Å; R629-Q632 PolarHBondContact O-N 2.81Å; Q632-Q634 VanDerWaalsContact C-N 3.3Å; Q632-Q634 PolarHBondContact O-N 2.98Å; Q632-Q635 PolarHBondContact O-N 3.37Å; Q632-Q636 PolarHBondContact O-N 3.29Å |
| 633 | Q | 73.8 | Confident | 67.6 | Low | 140 Ų | 140 | 108 Ų | 108 | 65% | 0.654 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -63.7 | -34.9 | 173.1 | -170.7 | 173.7 | 61.7 | 0 | 0 | 112 | R629 A637 | R629-Q633 VanDerWaalsContact O-CB 3.28Å; R629-Q633 WeakPolarHBondContact O-CB 3.2Å; R629-Q633 PolarHBondContact O-N 2.92Å; Q633-A637 WeakPolarHBondContact O-CB 3.41Å; Q633-A637 PolarHBondContact O-N 2.69Å |
| 634 | Q | 73.7 | Confident | 67.4 | Low | 137 Ų | 137 | 112.8 Ų | 112.8 | 64% | 0.64 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -71.7 | -32 | 174.7 | -169.2 | 163.5 | 59.3 | 0 | 0 | 112.6 | K630 Q631 Q632 Q638 | K630-Q634 WeakPolarHBondContact O-CB 3.45Å; K630-Q634 PolarHBondContact O-N 2.78Å; Q631-Q634 PolarHBondContact O-N 2.99Å; Q632-Q634 VanDerWaalsContact C-N 3.3Å; Q632-Q634 PolarHBondContact O-N 2.98Å; Q634-Q638 WeakPolarHBondContact O-CG 3.38Å; Q634-Q638 PolarHBondContact O-N 3.23Å |
| 635 | Q | 73.9 | Confident | 66.7 | Low | 117 Ų | 117 | 115.2 Ų | 115.2 | 55% | 0.547 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -71 | -42.5 | 171 | -73.9 | 177.6 | -24.1 | 0 | 0 | 112.3 | Q631 Q632 A637 Q638 A639 | Q631-Q635 PolarHBondContact O-N 3.05Å; Q632-Q635 PolarHBondContact O-N 3.37Å; Q635-A637 VanDerWaalsContact C-N 3.32Å; Q635-A637 PolarHBondContact O-N 3.44Å; Q635-Q638 CarbonylContact O-C 3.57Å; Q635-Q638 PolarHBondContact O-N 2.88Å; Q635-Q638 VanDerWaalsContact O-N 3.11Å; Q635-A639 PolarHBondContact O-N 3.22Å |
| 636 | Q | 72.4 | Confident | 66.4 | Low | 131 Ų | 131 | 118.3 Ų | 118.3 | 61% | 0.612 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -59.8 | -41.1 | 173.7 | -96.2 | -178.2 | -22.8 | 0 | 0 | 112.3 | Q632 Q638 A639 Q640 | Q632-Q636 PolarHBondContact O-N 3.29Å; Q636-Q638 VanDerWaalsContact C-N 3.31Å; Q636-Q638 PolarHBondContact O-N 3.19Å; Q636-A639 PolarHBondContact O-N 3.46Å; Q636-Q640 PolarHBondContact O-N 3.24Å |
| 637 | A | 71.3 | Confident | 65.3 | Low | 59 Ų | 59 | 126.9 Ų | 126.9 | 49% | 0.488 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -61.4 | -37.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q633 Q635 A641 | Q633-A637 WeakPolarHBondContact O-CB 3.41Å; Q633-A637 PolarHBondContact O-N 2.69Å; Q635-A637 VanDerWaalsContact C-N 3.32Å; Q635-A637 PolarHBondContact O-N 3.44Å; A637-A641 VanDerWaalsContact O-CB 3.3Å; A637-A641 WeakPolarHBondContact O-CB 3.43Å; A637-A641 PolarHBondContact O-N 3.38Å; A637-A641 VanDerWaalsContact O-N 3.07Å |
| 638 | Q | 71.8 | Confident | 63.8 | Low | 120 Ų | 120 | 127.9 Ų | 127.9 | 56% | 0.561 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -73.7 | -29.6 | 174.7 | -74.2 | -176.8 | -16.2 | 0 | 0 | 113.4 | Q634 Q635 Q636 Q642 | Q634-Q638 WeakPolarHBondContact O-CG 3.38Å; Q634-Q638 PolarHBondContact O-N 3.23Å; Q635-Q638 CarbonylContact O-C 3.57Å; Q635-Q638 PolarHBondContact O-N 2.88Å; Q635-Q638 VanDerWaalsContact O-N 3.11Å; Q636-Q638 VanDerWaalsContact C-N 3.31Å; Q636-Q638 PolarHBondContact O-N 3.19Å; Q638-Q642 WeakPolarHBondContact O-CG 3.43Å; Q638-Q642 PolarHBondContact O-N 2.99Å; Q638-Q642 PolarHBondContact O-NE2 3.2Å |
| 639 | A | 71.3 | Confident | 62.2 | Low | 45 Ų | 45 | 129.2 Ų | 129.2 | 37% | 0.372 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -69.9 | -47.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q635 Q636 A641 Q642 Q643 | Q635-A639 PolarHBondContact O-N 3.22Å; Q636-A639 PolarHBondContact O-N 3.46Å; A639-A641 VanDerWaalsContact C-N 3.34Å; A639-A641 PolarHBondContact O-N 3.33Å; A639-Q642 PolarHBondContact O-N 3.06Å; A639-Q642 VanDerWaalsContact O-N 3.15Å; A639-Q643 PolarHBondContact O-N 3.08Å |
| 640 | Q | 66.2 | Low | 60.9 | Low | 124 Ų | 124 | 127.9 Ų | 127.9 | 58% | 0.579 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -61.3 | -41.8 | 175 | -71.5 | -177.4 | -6.8 | 0 | 0 | 111.7 | Q636 Q642 Q643 L644 | Q636-Q640 PolarHBondContact O-N 3.24Å; Q640-Q642 PolarHBondContact O-N 3.14Å; Q640-Q643 PolarHBondContact O-N 3.18Å; Q640-L644 WeakPolarHBondContact O-CB 3.38Å; Q640-L644 VanDerWaalsContact O-CG 3.28Å; Q640-L644 WeakPolarHBondContact O-CG 3.11Å; Q640-L644 PolarHBondContact O-N 3.42Å |
| 641 | A | 64.5 | Low | 59 | Low | 49 Ų | 49 | 126 Ų | 126 | 41% | 0.405 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -61.6 | -28.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | A637 A639 M645 | A637-A641 VanDerWaalsContact O-CB 3.3Å; A637-A641 WeakPolarHBondContact O-CB 3.43Å; A637-A641 PolarHBondContact O-N 3.38Å; A637-A641 VanDerWaalsContact O-N 3.07Å; A639-A641 VanDerWaalsContact C-N 3.34Å; A639-A641 PolarHBondContact O-N 3.33Å; A641-M645 VanDerWaalsContact O-CE 3.31Å; A641-M645 WeakPolarHBondContact O-CE 3.44Å |
| 642 | Q | 62 | Low | 57.5 | Low | 122 Ų | 122 | 125 Ų | 125 | 57% | 0.57 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -82.1 | -42.6 | 175.4 | -76.2 | 170.6 | 94.5 | 0 | 0 | 112.2 | Q638 A639 Q640 L644 M645 T646 | Q638-Q642 WeakPolarHBondContact O-CG 3.43Å; Q638-Q642 PolarHBondContact O-N 2.99Å; Q638-Q642 PolarHBondContact O-NE2 3.2Å; A639-Q642 PolarHBondContact O-N 3.06Å; A639-Q642 VanDerWaalsContact O-N 3.15Å; Q640-Q642 PolarHBondContact O-N 3.14Å; Q642-L644 PolarHBondContact O-N 3.26Å; Q642-M645 PolarHBondContact O-N 3.08Å; Q642-T646 PolarHBondContact O-N 2.94Å |
| 643 | Q | 58.4 | Low | 55.7 | Low | 135 Ų | 135 | 126.6 Ų | 126.6 | 63% | 0.631 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -59.9 | -32.6 | 174.5 | -71.5 | 179.5 | -11.2 | 0 | 0 | 112.6 | A639 Q640 M645 | A639-Q643 PolarHBondContact O-N 3.08Å; Q640-Q643 PolarHBondContact O-N 3.18Å; Q643-M645 VanDerWaalsContact C-N 3.28Å; Q643-M645 PolarHBondContact O-N 2.86Å |
| 644 | L | 52.8 | Low | 54.1 | Low | 149 Ų | 149 | 126.2 Ų | 126.2 | 78% | 0.78 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | -12.2 | 174.4 | -71.8 | 168.7 | 0 | 0 | 0 | 114.3 | Q640 Q642 | Q640-L644 WeakPolarHBondContact O-CB 3.38Å; Q640-L644 VanDerWaalsContact O-CG 3.28Å; Q640-L644 WeakPolarHBondContact O-CG 3.11Å; Q640-L644 PolarHBondContact O-N 3.42Å; Q642-L644 PolarHBondContact O-N 3.26Å |
| 645 | M | 44.8 | Very low | 52.3 | Low | 144 Ų | 144 | 123.6 Ų | 123.6 | 71% | 0.709 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101 | -5.8 | 177.7 | -78 | -168.6 | -73.8 | 0 | 0 | 114.3 | A641 Q642 Q643 | A641-M645 VanDerWaalsContact O-CE 3.31Å; A641-M645 WeakPolarHBondContact O-CE 3.44Å; Q642-M645 PolarHBondContact O-N 3.08Å; Q643-M645 VanDerWaalsContact C-N 3.28Å; Q643-M645 PolarHBondContact O-N 2.86Å |
| 646 | T | 53.1 | Low | 50.9 | Low | 112 Ų | 112 | 121.7 Ų | 121.7 | 69% | 0.687 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -121.7 | 6 | -173.7 | 60.5 | 0 | 0 | 0 | 0 | 115.2 | Q642 | Q642-T646 PolarHBondContact O-N 2.94Š|
| 647 | R | 38.4 | Very low | 49.3 | Very low | 240 Ų | 240 | 123.3 Ų | 123.3 | 91% | 0.906 | 70% | 0.697 | S | S | * | * | | | trans | -114.5 | 63.4 | 172.7 | -96 | 177.6 | 68.5 | -145.4 | 6.2 | 112.2 | | |
| 648 | S | 34.3 | Very low | 47.8 | Very low | 81 Ų | 81 | 125.7 Ų | 125.7 | 57% | 0.566 | 71% | 0.71 | S | S | * | * | | | trans | -108.2 | 143.4 | 160.3 | 50.3 | 0 | 0 | 0 | 0 | 109.4 | | |
| 649 | Y | 36.2 | Very low | 46.7 | Very low | 221 Ų | 221 | 127.4 Ų | 127.4 | 87% | 0.867 | 72% | 0.722 | S | S | * | * | | | trans | 65 | 94.1 | 180 | -47.5 | -76.1 | 0 | 0 | 0 | 115.9 | | |
| 650 | N | 41.2 | Very low | 45.6 | Very low | 161 Ų | 161 | 131.9 Ų | 131.9 | 86% | 0.861 | 75% | 0.745 | S | S | * | * | | | | -149.2 | 122.3 | 128.3 | -144.2 | 19 | 0 | 0 | 0 | 108.8 | | |
| 651 | C | 31.8 | Very low | 44.1 | Very low | 118 Ų | 118 | 133.2 Ų | 133.2 | 80% | 0.797 | 76% | 0.756 | S | S | * | * | | | trans | -132.5 | 92.8 | -176.5 | -64 | 0 | 0 | 0 | 0 | 109.6 | | |
| 652 | S | 42.5 | Very low | 43.4 | Very low | 105 Ų | 105 | 138.1 Ų | 138.1 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | | | trans | -152.3 | 121.2 | 163 | -55.7 | 0 | 0 | 0 | 0 | 104.6 | | |
| 653 | D | 34.7 | Very low | 42.6 | Very low | 148 Ų | 148 | 137.6 Ų | 137.6 | 79% | 0.791 | 79% | 0.786 | S | S | * | * | | | | 78.6 | 137.4 | 54.1 | -165.5 | 23.6 | 0 | 0 | 0 | 112 | | |
| 654 | T | 41.3 | Very low | 41.9 | Very low | 133 Ų | 133 | 138.2 Ų | 138.2 | 82% | 0.816 | 79% | 0.792 | S | S | * | * | | | trans | 60.2 | 146.5 | -155.2 | 72 | 0 | 0 | 0 | 0 | 114.5 | | |
| 655 | G | 36.4 | Very low | 41.6 | Very low | 81 Ų | 81 | 136.2 Ų | 136.2 | 84% | 0.835 | 79% | 0.791 | S | S | * | * | | | cis | 127.9 | 105.1 | -1.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 656 | G | 42.7 | Very low | 41.7 | Very low | 78 Ų | 78 | 135.8 Ų | 135.8 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | | | trans | 161.3 | 135.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 657 | D | 39 | Very low | 41.3 | Very low | 164 Ų | 164 | 139.4 Ų | 139.4 | 88% | 0.877 | 79% | 0.793 | S | S | * | * | | | trans | -93.5 | 140.1 | -174.8 | -54.3 | -84.2 | 0 | 0 | 0 | 113.9 | | |
| 658 | S | 41 | Very low | 41.7 | Very low | 109 Ų | 109 | 132 Ų | 132 | 76% | 0.762 | 77% | 0.772 | S | S | * | * | | | trans | 179.5 | 116.9 | 150.7 | -80.6 | 0 | 0 | 0 | 0 | 108 | | |
| 659 | L | 48.4 | Very low | 42.2 | Very low | 156 Ų | 156 | 133.8 Ų | 133.8 | 82% | 0.817 | 77% | 0.771 | S | S | * | * | | | | 75.2 | 130.6 | 73.7 | -71.6 | 170.3 | 0 | 0 | 0 | 113.5 | | |
| 660 | T | 48.3 | Very low | 42.7 | Very low | 139 Ų | 139 | 131.2 Ų | 131.2 | 85% | 0.853 | 77% | 0.767 | S | S | * | * | | | trans | 59.4 | 106.2 | -171.8 | 62.2 | 0 | 0 | 0 | 0 | 113.3 | | |
| 661 | D | 35.4 | Very low | 43 | Very low | 152 Ų | 152 | 131.4 Ų | 131.4 | 81% | 0.813 | 76% | 0.756 | S | S | * | * | | | cis | 79.5 | 160.2 | 45.3 | -145.5 | -2.1 | 0 | 0 | 0 | 114.1 | S663 | D661-S663 PolarHBondContact O-N 2.93Š|
| 662 | D | 48.1 | Very low | 43.6 | Very low | 152 Ų | 152 | 132.8 Ų | 132.8 | 81% | 0.813 | 75% | 0.75 | S | S | * | * | S | Bend | trans | 61.5 | 35.6 | 177.7 | -78.4 | -33.2 | 0 | 0 | 0 | 118.5 | | |
| 663 | S | 45.9 | Very low | 43.5 | Very low | 111 Ų | 111 | 136.9 Ų | 136.9 | 78% | 0.776 | 75% | 0.751 | S | S | * | * | | | trans | -145.1 | 0.1 | 173 | -82.1 | 0 | 0 | 0 | 0 | 118.7 | D661 | D661-S663 PolarHBondContact O-N 2.93Š|
| 664 | L | 43.7 | Very low | 44 | Very low | 148 Ų | 148 | 132.5 Ų | 132.5 | 78% | 0.775 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -94.8 | -7.4 | -174.3 | -78.1 | 168.3 | 0 | 0 | 0 | 116.2 | N668 | L664-N668 PolarHBondContact O-ND2 3.49Š|
| 665 | S | 47.1 | Very low | 44.3 | Very low | 107 Ų | 107 | 128.2 Ų | 128.2 | 75% | 0.748 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -74.3 | -46.6 | -175.4 | -163.6 | 0 | 0 | 0 | 0 | 113.1 | Y667 N668 | S665-Y667 VanDerWaalsContact C-N 3.26Å; S665-Y667 PolarHBondContact O-N 2.89Å; S665-N668 PolarHBondContact O-N 2.87Å; S665-N668 VanDerWaalsContact O-N 3.07Å |
| 666 | L | 47 | Very low | 44.8 | Very low | 136 Ų | 136 | 127.8 Ų | 127.8 | 71% | 0.712 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -62 | -31.1 | -173.9 | -165.1 | 64.8 | 0 | 0 | 0 | 113.2 | N668 | L666-N668 VanDerWaalsContact C-N 3.27Å; L666-N668 PolarHBondContact O-N 3.42Å |
| 667 | Y | 43.1 | Very low | 45 | Very low | 187 Ų | 187 | 128.3 Ų | 128.3 | 73% | 0.733 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -76.6 | -9.8 | -179.7 | -138.3 | -89.8 | 0 | 0 | 0 | 114.2 | S665 | S665-Y667 VanDerWaalsContact C-N 3.26Å; S665-Y667 PolarHBondContact O-N 2.89Å |
| 668 | N | 47.2 | Very low | 45.4 | Very low | 85 Ų | 85 | 127.8 Ų | 127.8 | 46% | 0.455 | 69% | 0.689 | S | S | . | * | H | α-helix | trans | -92.7 | -35.9 | 174 | -81.3 | -65.6 | 0 | 0 | 0 | 112.6 | L664 S665 L666 Q670 R671 Q672 | L664-N668 PolarHBondContact O-ND2 3.49Å; S665-N668 PolarHBondContact O-N 2.87Å; S665-N668 VanDerWaalsContact O-N 3.07Å; L666-N668 VanDerWaalsContact C-N 3.27Å; L666-N668 PolarHBondContact O-N 3.42Å; N668-Q670 VanDerWaalsContact C-N 3.34Å; N668-Q670 PolarHBondContact O-N 3.01Å; N668-R671 WeakPolarHBondContact O-CB 3.27Å; N668-R671 PolarHBondContact O-N 3.22Å; N668-Q672 PolarHBondContact O-N 3.16Å |
| 669 | Q | 45.8 | Very low | 45.5 | Very low | 119 Ų | 119 | 128.6 Ų | 128.6 | 56% | 0.556 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -57.8 | -45.1 | -180 | -162.7 | 179.3 | 47.8 | 0 | 0 | 111.7 | R671 Q672 Y673 | Q669-R671 PolarHBondContact O-N 3.42Å; Q669-Q672 PolarHBondContact O-N 3.5Å; Q669-Y673 HydrophobicContact CG-CE2 4.43Å; Q669-Y673 WeakPolarHBondContact O-CD2 3.28Å |
| 670 | Q | 45.4 | Very low | 45.4 | Very low | 167 Ų | 167 | 128.6 Ų | 128.6 | 78% | 0.78 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -68.5 | -14.8 | 177.6 | -162.5 | 163.9 | 41 | 0 | 0 | 113.9 | N668 | N668-Q670 VanDerWaalsContact C-N 3.34Å; N668-Q670 PolarHBondContact O-N 3.01Å |
| 671 | R | 47.3 | Very low | 45.2 | Very low | 165 Ų | 165 | 130.1 Ų | 130.1 | 62% | 0.623 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -84.1 | -25.8 | 174.3 | -151.7 | -170.7 | -60 | -145 | 6.6 | 112.8 | N668 Q669 A674 A675 | N668-R671 WeakPolarHBondContact O-CB 3.27Å; N668-R671 PolarHBondContact O-N 3.22Å; Q669-R671 PolarHBondContact O-N 3.42Å; R671-A674 PolarHBondContact O-N 2.8Å; R671-A675 PolarHBondContact O-N 3.22Å |
| 672 | Q | 45.7 | Very low | 45.5 | Very low | 146 Ų | 146 | 127.3 Ų | 127.3 | 68% | 0.682 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -76 | -34.1 | -176.2 | -66.4 | -162.4 | 4.3 | 0 | 0 | 113.6 | N668 Q669 A674 A675 A676 | N668-Q672 PolarHBondContact O-N 3.16Å; Q669-Q672 PolarHBondContact O-N 3.5Å; Q672-A674 PolarHBondContact O-N 3.31Å; Q672-A675 WeakPolarHBondContact O-CA 3.27Å; Q672-A675 WeakPolarHBondContact O-CB 3.2Å; Q672-A675 PolarHBondContact O-N 2.87Å; Q672-A676 PolarHBondContact O-N 3.2Å |
| 673 | Y | 40.8 | Very low | 45.4 | Very low | 191 Ų | 191 | 126.2 Ų | 126.2 | 75% | 0.749 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.5 | -24 | 170.6 | -67.2 | -76.3 | 0 | 0 | 0 | 113 | Q669 | Q669-Y673 HydrophobicContact CG-CE2 4.43Å; Q669-Y673 WeakPolarHBondContact O-CD2 3.28Å |
| 674 | A | 45.5 | Very low | 45.3 | Very low | 56 Ų | 56 | 125 Ų | 125 | 46% | 0.463 | 65% | 0.65 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87 | -5.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | R671 Q672 | R671-A674 PolarHBondContact O-N 2.8Å; Q672-A674 PolarHBondContact O-N 3.31Å |
| 675 | A | 46.6 | Very low | 45.4 | Very low | 44 Ų | 44 | 123.3 Ų | 123.3 | 36% | 0.364 | 64% | 0.638 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -93.5 | -31.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | R671 Q672 A677 K678 | R671-A675 PolarHBondContact O-N 3.22Å; Q672-A675 WeakPolarHBondContact O-CA 3.27Å; Q672-A675 WeakPolarHBondContact O-CB 3.2Å; Q672-A675 PolarHBondContact O-N 2.87Å; A675-A677 PolarHBondContact O-N 2.8Å; A675-K678 PolarHBondContact O-N 3.44Å |
| 676 | A | 46.2 | Very low | 45.4 | Very low | 71 Ų | 71 | 127.6 Ų | 127.6 | 59% | 0.587 | 64% | 0.638 | S | S | * | * | G | 310 helix | trans | -52.9 | -37.3 | 174 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q672 K678 | Q672-A676 PolarHBondContact O-N 3.2Å; A676-K678 PolarHBondContact O-N 3.18Å; A676-K678 VanDerWaalsContact O-N 3.12Å |
| 677 | A | 48.3 | Very low | 45.2 | Very low | 90 Ų | 90 | 131.4 Ų | 131.4 | 74% | 0.744 | 65% | 0.645 | S | S | * | * | G | 310 helix | trans | -69.5 | -0.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | A675 | A675-A677 PolarHBondContact O-N 2.8Š|
| 678 | K | 46.6 | Very low | 45.4 | Very low | 152 Ų | 152 | 133.3 Ų | 133.3 | 66% | 0.661 | 65% | 0.65 | S | S | * | * | G | 310 helix | trans | -121.9 | -14 | -173.3 | -64.5 | 179 | -177.9 | 172.7 | 0 | 114.7 | A675 A676 N680 R681 | A675-K678 PolarHBondContact O-N 3.44Å; A676-K678 PolarHBondContact O-N 3.18Å; A676-K678 VanDerWaalsContact O-N 3.12Å; K678-N680 VanDerWaalsContact C-N 3.26Å; K678-N680 PolarHBondContact O-N 2.69Å; K678-R681 PolarHBondContact O-N 2.96Å |
| 679 | L | 42.4 | Very low | 45 | Very low | 127 Ų | 127 | 136.7 Ų | 136.7 | 67% | 0.665 | 67% | 0.667 | S | S | * | * | G | 310 helix | trans | -67.1 | -25.9 | -179.6 | -66.8 | 175.6 | 0 | 0 | 0 | 113.1 | R681 N682 | L679-R681 PolarHBondContact O-N 3.48Å; L679-N682 PolarHBondContact O-N 3.01Å |
| 680 | N | 46.6 | Very low | 44.9 | Very low | 156 Ų | 156 | 139.2 Ų | 139.2 | 83% | 0.834 | 68% | 0.684 | S | S | * | * | G | 310 helix | trans | -62.5 | -5.9 | 173.8 | -99.2 | -67.3 | 0 | 0 | 0 | 115.2 | K678 | K678-N680 VanDerWaalsContact C-N 3.26Å; K678-N680 PolarHBondContact O-N 2.69Å |
| 681 | R | 45.5 | Very low | 44.6 | Very low | 170 Ų | 170 | 134.9 Ų | 134.9 | 64% | 0.642 | 68% | 0.684 | S | S | * | * | G | 310 helix | trans | -90.1 | -31.8 | 176.6 | -172.6 | 174.4 | 169.2 | 121.9 | 9.3 | 113.9 | K678 L679 L683 A684 E685 | K678-R681 PolarHBondContact O-N 2.96Å; L679-R681 PolarHBondContact O-N 3.48Å; R681-L683 VanDerWaalsContact C-N 3.3Å; R681-L683 PolarHBondContact O-N 2.71Å; R681-A684 PolarHBondContact O-N 3.43Å; R681-E685 IonicContact CZ-OE1 2.64Å; R681-E685 VanDerWaalsContact CZ-OE1 3.31Å; R681-E685 IonicContact NE-OE1 2.73Å; R681-E685 PolarHBondContact NE-OE1 3.4Å; R681-E685 IonicContact NH2-OE1 3.71Å; R681-E685 PolarHBondContact NH2-OE1 2.96Å |
| 682 | N | 40.4 | Very low | 44.3 | Very low | 93 Ų | 93 | 132.6 Ų | 132.6 | 50% | 0.497 | 68% | 0.684 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.6 | 1.1 | -168.8 | -72.2 | -46.7 | 0 | 0 | 0 | 115.2 | L679 | L679-N682 PolarHBondContact O-N 3.01Š|
| 683 | L | 46.3 | Very low | 44.1 | Very low | 130 Ų | 130 | 131.8 Ų | 131.8 | 68% | 0.681 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.5 | -29.7 | 170.8 | -147.1 | 74.3 | 0 | 0 | 0 | 112.1 | R681 | R681-L683 VanDerWaalsContact C-N 3.3Å; R681-L683 PolarHBondContact O-N 2.71Å |
| 684 | A | 44 | Very low | 43.8 | Very low | 85 Ų | 85 | 130 Ų | 130 | 70% | 0.702 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81 | -15.6 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | R681 | R681-A684 PolarHBondContact O-N 3.43Š|
| 685 | E | 46.8 | Very low | 43.4 | Very low | 112 Ų | 112 | 138.3 Ų | 138.3 | 52% | 0.523 | 72% | 0.717 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -100.3 | -7.6 | -175.2 | -64.3 | -178.6 | -168.7 | 0 | 0 | 113.2 | R681 | R681-E685 IonicContact CZ-OE1 2.64Å; R681-E685 VanDerWaalsContact CZ-OE1 3.31Å; R681-E685 IonicContact NE-OE1 2.73Å; R681-E685 PolarHBondContact NE-OE1 3.4Å; R681-E685 IonicContact NH2-OE1 3.71Å; R681-E685 PolarHBondContact NH2-OE1 2.96Å |
| 686 | R | 45.8 | Very low | 42.9 | Very low | 197 Ų | 197 | 140.1 Ų | 140.1 | 74% | 0.743 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -92.9 | -3.1 | -177 | -78.1 | -164 | -77.8 | 178.4 | -1 | 117 | | |
| 687 | Y | 44.1 | Very low | 42.5 | Very low | 217 Ų | 217 | 142.4 Ų | 142.4 | 85% | 0.851 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -118.1 | 40.1 | 179.4 | -75.9 | -77.8 | 0 | 0 | 0 | 113.1 | | |
| 688 | R | 46.4 | Very low | 42 | Very low | 226 Ų | 226 | 144.6 Ų | 144.6 | 85% | 0.853 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -131.5 | 14.7 | -174.8 | -144.3 | -171.6 | 171.5 | 101.4 | 4.3 | 116 | | |
| 689 | L | 39.8 | Very low | 41.7 | Very low | 156 Ų | 156 | 142.7 Ų | 142.7 | 82% | 0.817 | 75% | 0.747 | S | S | * | * | | | trans | -129.4 | 145.5 | 170.5 | -117.2 | 76 | 0 | 0 | 0 | 109 | | |
| 690 | L | 41.9 | Very low | 41.3 | Very low | 173 Ų | 173 | 140.5 Ų | 140.5 | 91% | 0.906 | 75% | 0.747 | S | S | * | * | | | trans | 63.5 | 130 | -169.2 | -64.7 | 67.7 | 0 | 0 | 0 | 113.1 | | |
| 691 | G | 40.7 | Very low | 41 | Very low | 75 Ų | 75 | 140.9 Ų | 140.9 | 77% | 0.773 | 75% | 0.748 | S | S | * | * | | | cis | 177.3 | 131.3 | -9.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 692 | D | 40.6 | Very low | 40.6 | Very low | 117 Ų | 117 | 139.6 Ų | 139.6 | 63% | 0.626 | 76% | 0.764 | S | S | * | * | | | trans | -129.7 | 156.3 | 176 | -90.9 | -40.1 | 0 | 0 | 0 | 109 | R524 | R524-D692 IonicContact CZ-OD2 2.86Å; R524-D692 IonicContact NE-OD2 3.6Å; R524-D692 IonicContact NH2-OD2 3.89Å; R524-D692 PolarHBondContact NH2-OD2 2.77Å |
| 693 | C | 41 | Very low | 40.5 | Very low | 129 Ų | 129 | 140.1 Ų | 140.1 | 87% | 0.872 | 77% | 0.774 | S | S | * | * | | | trans | 98.7 | 87.5 | 173.1 | -58.7 | 0 | 0 | 0 | 0 | 117.6 | | |
| 694 | D | 35.4 | Very low | 40.1 | Very low | 153 Ų | 153 | 143 Ų | 143 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | | | trans | -71.7 | 143.8 | 149.4 | -58.3 | -67.2 | 0 | 0 | 0 | 110.8 | | |
| 695 | Y | 36.4 | Very low | 39.7 | Very low | 231 Ų | 231 | 142.7 Ų | 142.7 | 91% | 0.906 | 79% | 0.789 | S | S | * | * | | | | -177.9 | 151.2 | 112.5 | -118.2 | -99.8 | 0 | 0 | 0 | 113.3 | | |
| 696 | A | 35.4 | Very low | 39.2 | Very low | 82 Ų | 82 | 141.1 Ų | 141.1 | 68% | 0.678 | 80% | 0.803 | S | S | * | * | | | trans | -44.4 | 141.2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 697 | S | 38.3 | Very low | 38.6 | Very low | 120 Ų | 120 | 135.9 Ų | 135.9 | 84% | 0.839 | 81% | 0.81 | S | S | * | * | | | | -178.6 | 133.3 | 103.7 | -71.3 | 0 | 0 | 0 | 0 | 112.3 | | |
| 698 | D | 37.3 | Very low | 38.2 | Very low | 135 Ų | 135 | 129.7 Ų | 129.7 | 72% | 0.722 | 81% | 0.812 | S | S | * | * | | | trans | -81.6 | 152.4 | 164.5 | -169.9 | 45.2 | 0 | 0 | 0 | 109.6 | A700 | D698-A700 VanDerWaalsContact CG-N 3.34Å; D698-A700 PolarHBondContact OD1-N 3.16Å; D698-A700 VanDerWaalsContact OD1-N 3.08Å; D698-A700 PolarHBondContact OD2-N 2.83Å; D698-A700 VanDerWaalsContact OD2-N 3.12Å |
| 699 | P | 41 | Very low | 37.7 | Very low | 113 Ų | 113 | 123 Ų | 123 | 73% | 0.734 | 81% | 0.814 | S | S | * | * | | | | -142.5 | 130.2 | 95.5 | 34.9 | -18.8 | 0 | 0 | 0 | 114.8 | L701 | P699-L701 PolarHBondContact O-N 3.4Å; P699-L701 VanDerWaalsContact O-N 3.08Å |
| 700 | A | 34.5 | Very low | 37.6 | Very low | 81 Ų | 81 | 119.1 Ų | 119.1 | 67% | 0.669 | 81% | 0.812 | S | S | * | * | | | trans | -72.1 | 95.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | D698 | D698-A700 VanDerWaalsContact CG-N 3.34Å; D698-A700 PolarHBondContact OD1-N 3.16Å; D698-A700 VanDerWaalsContact OD1-N 3.08Å; D698-A700 PolarHBondContact OD2-N 2.83Å; D698-A700 VanDerWaalsContact OD2-N 3.12Å |
| 701 | L | 39.2 | Very low | 37.6 | Very low | 164 Ų | 164 | 119.4 Ų | 119.4 | 86% | 0.859 | 81% | 0.808 | S | S | * | * | | | trans | -145.9 | 108.6 | 162.6 | -78.9 | -176.6 | 0 | 0 | 0 | 112.9 | P699 | P699-L701 PolarHBondContact O-N 3.4Å; P699-L701 VanDerWaalsContact O-N 3.08Å |
| 702 | C | 38.4 | Very low | 37.4 | Very low | 143 Ų | 143 | 121.3 Ų | 121.3 | 97% | 0.966 | 81% | 0.805 | S | S | * | * | | | trans | -167 | 141.9 | 132.7 | -121 | 0 | 0 | 0 | 0 | 110.1 | | |
| 703 | S | 37.1 | Very low | 37.4 | Very low | 103 Ų | 103 | 123.2 Ų | 123.2 | 72% | 0.72 | 81% | 0.814 | S | S | * | * | | | trans | -125.8 | 157.2 | -171 | -172.9 | 0 | 0 | 0 | 0 | 112.5 | | |
| 704 | H | 38.9 | Very low | 37.3 | Very low | 191 Ų | 191 | 125.6 Ų | 125.6 | 88% | 0.884 | 81% | 0.812 | S | S | * | * | | | trans | 64.7 | 136.2 | 160.7 | -97.7 | -70.9 | 0 | 0 | 0 | 121.2 | | |
| 705 | G | 35.4 | Very low | 37.6 | Very low | 79 Ų | 79 | 122.7 Ų | 122.7 | 81% | 0.814 | 80% | 0.802 | S | S | * | * | | | trans | 113.6 | 115 | 156.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 706 | G | 35.3 | Very low | 37.6 | Very low | 78 Ų | 78 | 115.2 Ų | 115.2 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | | | cis | 152.2 | 118.5 | -10.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 707 | G | 33.6 | Very low | 37.7 | Very low | 88 Ų | 88 | 122 Ų | 122 | 91% | 0.907 | 81% | 0.805 | S | S | * | * | | | trans | 84.6 | 121 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 708 | G | 34.7 | Very low | 37.9 | Very low | 86 Ų | 86 | 125.7 Ų | 125.7 | 89% | 0.887 | 81% | 0.806 | S | S | * | * | | | trans | 158.4 | 83.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 709 | G | 36.1 | Very low | 38.2 | Very low | 87 Ų | 87 | 125 Ų | 125 | 90% | 0.897 | 81% | 0.808 | S | S | * | * | | | trans | -95.5 | 149.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 710 | G | 39.2 | Very low | 38.6 | Very low | 74 Ų | 74 | 125 Ų | 125 | 76% | 0.763 | 81% | 0.808 | S | S | * | * | | | trans | 145.4 | 105.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 711 | Q | 40.5 | Very low | 39 | Very low | 178 Ų | 178 | 130.8 Ų | 130.8 | 83% | 0.832 | 82% | 0.818 | S | S | * | * | | | trans | 16.3 | 106.9 | 155 | -62.6 | -72.4 | 19.7 | 0 | 0 | 119.8 | | |
| 712 | V | 37.6 | Very low | 38.9 | Very low | 116 Ų | 116 | 128.4 Ų | 128.4 | 70% | 0.703 | 82% | 0.815 | S | S | * | * | | | trans | 32.4 | 135.3 | 131.2 | -159.5 | 0 | 0 | 0 | 0 | 120.8 | | |
| 713 | L | 40.4 | Very low | 39.3 | Very low | 157 Ų | 157 | 127.6 Ų | 127.6 | 82% | 0.822 | 81% | 0.808 | S | S | * | * | | | trans | 92.3 | 116.7 | 169.2 | -67.3 | 118.6 | 0 | 0 | 0 | 118.3 | | |
| 714 | E | 38.1 | Very low | 39.7 | Very low | 179 Ų | 179 | 127.8 Ų | 127.8 | 84% | 0.836 | 81% | 0.809 | S | S | * | * | | | trans | 59.7 | 174.6 | 164.9 | -76.6 | -80.6 | 86.7 | 0 | 0 | 116.7 | | |
| 715 | P | 42.4 | Very low | 39.9 | Very low | 91 Ų | 91 | 128.4 Ų | 128.4 | 59% | 0.591 | 81% | 0.81 | S | S | * | * | | | | -125.7 | 170.9 | -53 | 34.2 | -20.7 | 0 | 0 | 0 | 113.6 | | |
| 716 | G | 36 | Very low | 40.3 | Very low | 74 Ų | 74 | 132.3 Ų | 132.3 | 76% | 0.763 | 81% | 0.81 | S | S | * | * | | | trans | 94.2 | 169.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 717 | Y | 38.1 | Very low | 40.9 | Very low | 226 Ų | 226 | 134.6 Ų | 134.6 | 89% | 0.886 | 81% | 0.811 | S | S | * | * | | | cis | -135.3 | 179.4 | 17.3 | -90.7 | -102.6 | 0 | 0 | 0 | 113.9 | | |
| 718 | K | 41.5 | Very low | 41.1 | Very low | 197 Ų | 197 | 135.2 Ų | 135.2 | 86% | 0.857 | 80% | 0.801 | S | S | * | * | | | trans | -98.9 | 152.3 | -168.2 | -51.7 | 161 | -173.8 | 169.6 | 0 | 113.3 | | |
| 719 | P | 45.2 | Very low | 41.7 | Very low | 119 Ų | 119 | 137.4 Ų | 137.4 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | | | trans | -120.1 | -178.2 | 142.2 | 42.6 | -33.3 | 0 | 0 | 0 | 110.4 | | |
| 720 | P | 47.8 | Very low | 42.1 | Very low | 113 Ų | 113 | 140.3 Ų | 140.3 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | | | | -130 | 147.9 | -98.1 | 28.1 | -5.8 | 0 | 0 | 0 | 117.9 | | |
| 721 | K | 44.4 | Very low | 42 | Very low | 204 Ų | 204 | 144.2 Ų | 144.2 | 89% | 0.887 | 79% | 0.792 | S | S | * | * | | | trans | 40.1 | 99.1 | 145.3 | -62.1 | 177.1 | -179.8 | 174.6 | 0 | 118.8 | | |
| 722 | S | 36.5 | Very low | 41.8 | Very low | 113 Ų | 113 | 141.2 Ų | 141.2 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | | | trans | -97.4 | 137.5 | 176.5 | -35.4 | 0 | 0 | 0 | 0 | 114.6 | | |
| 723 | P | 46.1 | Very low | 41.8 | Very low | 126 Ų | 126 | 144 Ų | 144 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | | | trans | -94.9 | 122.2 | 158.3 | 33.3 | -26.5 | 0 | 0 | 0 | 109.8 | | |
| 724 | S | 45.5 | Very low | 41.5 | Very low | 107 Ų | 107 | 140 Ų | 140 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | | | cis | 78.5 | 81.2 | 28.1 | -158.4 | 0 | 0 | 0 | 0 | 115.6 | | |
| 725 | K | 44.6 | Very low | 41.4 | Very low | 205 Ų | 205 | 144 Ų | 144 | 89% | 0.891 | 80% | 0.8 | S | S | * | * | | | trans | 174.1 | 81.6 | 139 | -97.5 | 171.6 | -178.8 | 178.7 | 0 | 113.4 | | |
| 726 | I | 43.8 | Very low | 40.9 | Very low | 161 Ų | 161 | 143.9 Ų | 143.9 | 83% | 0.826 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -134.1 | 129.6 | 151.4 | -60 | -177 | 0 | 0 | 0 | 105.6 | | |
| 727 | P | 47.4 | Very low | 40.7 | Very low | 125 Ų | 125 | 151.8 Ų | 151.8 | 81% | 0.812 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 142.1 | -160.7 | 28.4 | -35.5 | 0 | 0 | 0 | 114.5 | | |
| 728 | S | 38 | Very low | 40.5 | Very low | 102 Ų | 102 | 146.4 Ų | 146.4 | 71% | 0.713 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 143.3 | -178.9 | -42.7 | 0 | 0 | 0 | 0 | 113.5 | L730 | S728-L730 PolarHBondContact O-N 3.06Š|
| 729 | P | 46.7 | Very low | 40 | Very low | 131 Ų | 131 | 141.8 Ų | 141.8 | 85% | 0.851 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 121.3 | 157.5 | -16.5 | 31 | 0 | 0 | 0 | 109.4 | | |
| 730 | L | 43.5 | Very low | 39.2 | Very low | 149 Ų | 149 | 141.5 Ų | 141.5 | 78% | 0.78 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 136.4 | -174.4 | -83.3 | 161.5 | 0 | 0 | 0 | 113.2 | S728 | S728-L730 PolarHBondContact O-N 3.06Š|
| 731 | H | 37.5 | Very low | 38.7 | Very low | 155 Ų | 155 | 148.2 Ų | 148.2 | 72% | 0.718 | 82% | 0.819 | S | S | * | * | | | trans | 9.6 | 114.9 | 146.5 | -58.6 | 135.9 | 0 | 0 | 0 | 117.4 | | |
| 732 | T | 36.4 | Very low | 38.3 | Very low | 115 Ų | 115 | 143.4 Ų | 143.4 | 71% | 0.706 | 81% | 0.811 | S | S | * | * | | | | 47 | 104.6 | 85.9 | 65.3 | 0 | 0 | 0 | 0 | 114.9 | | |
| 733 | L | 37.1 | Very low | 38.4 | Very low | 174 Ų | 174 | 148.6 Ų | 148.6 | 91% | 0.911 | 81% | 0.813 | S | S | * | * | | | | -169.3 | 132.8 | 122.6 | -127.1 | 72.9 | 0 | 0 | 0 | 112.3 | | |
| 734 | G | 34.8 | Very low | 38.4 | Very low | 73 Ų | 73 | 147.3 Ų | 147.3 | 75% | 0.753 | 81% | 0.805 | S | S | * | * | | | trans | 84 | 139.6 | 140 | 0 | 0 | 0 | 0 | 0 | 121.8 | | |
| 735 | R | 35.6 | Very low | 38.4 | Very low | 263 Ų | 263 | 145.1 Ų | 145.1 | 99% | 0.992 | 79% | 0.79 | S | S | * | * | | | trans | 73 | 160 | 153.3 | -104.5 | 174.2 | -166.6 | -123 | -1.4 | 119.5 | | |
| 736 | A | 32.4 | Very low | 38.9 | Very low | 89 Ų | 89 | 140.6 Ų | 140.6 | 74% | 0.736 | 78% | 0.78 | S | S | * | * | | | trans | -128.9 | 168.7 | -164.3 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 737 | R | 31.5 | Very low | 39.9 | Very low | 241 Ų | 241 | 137.9 Ų | 137.9 | 91% | 0.909 | 77% | 0.767 | S | S | * | * | | | trans | 81.9 | 150.6 | 174.5 | -56.9 | -175.4 | 170.1 | -145.1 | -2.9 | 116.9 | | |
| 738 | S | 33.4 | Very low | 41 | Very low | 113 Ų | 113 | 134 Ų | 134 | 79% | 0.79 | 75% | 0.745 | S | S | * | * | | | trans | 80.3 | 102.2 | 161.6 | -58.2 | 0 | 0 | 0 | 0 | 119.8 | | |
| 739 | A | 30.9 | Very low | 42.6 | Very low | 100 Ų | 100 | 136.3 Ų | 136.3 | 83% | 0.826 | 74% | 0.739 | S | S | * | * | | | | 64.3 | 143.1 | 128.3 | 0 | 0 | 0 | 0 | 0 | 122.3 | | |
| 740 | S | 30 | Very low | 44.3 | Very low | 112 Ų | 112 | 135.2 Ų | 135.2 | 78% | 0.783 | 73% | 0.725 | S | S | * | * | | | trans | 63.5 | 85 | 156.5 | -150.1 | 0 | 0 | 0 | 0 | 118.3 | | |
| 741 | R | 36.5 | Very low | 46.1 | Very low | 254 Ų | 254 | 134.9 Ų | 134.9 | 96% | 0.958 | 72% | 0.72 | S | S | * | * | | | | -104.7 | 125.6 | 129 | -91.6 | -174.9 | 165.7 | -130 | -4.1 | 108.1 | | |
| 742 | S | 36 | Very low | 48 | Very low | 103 Ų | 103 | 134.2 Ų | 134.2 | 72% | 0.72 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 145.9 | -167.8 | 49.1 | 0 | 0 | 0 | 0 | 111.5 | | |
| 743 | R | 38.7 | Very low | 50.2 | Low | 223 Ų | 223 | 131.2 Ų | 131.2 | 84% | 0.842 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 147.9 | 147.8 | -65.5 | 176.4 | 175.1 | 178.7 | -2.6 | 106.7 | S745 | R743-S745 PolarHBondContact O-N 3.02Š|
| 744 | P | 46 | Very low | 52.3 | Low | 98 Ų | 98 | 125.4 Ų | 125.4 | 64% | 0.636 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -49.6 | 127.2 | 159.6 | 25 | -33 | 0 | 0 | 0 | 106.5 | A748 | P744-A748 HydrophobicContact CB-CB 4.46Š|
| 745 | S | 45.7 | Very low | 54.7 | Low | 61 Ų | 61 | 124.3 Ų | 124.3 | 43% | 0.427 | 66% | 0.659 | S | S | . | * | P | Polyproline II helix | trans | -55 | 150.5 | 178.2 | 49.7 | 0 | 0 | 0 | 0 | 107.9 | R743 D747 A748 Y749 | R743-S745 PolarHBondContact O-N 3.02Å; S745-D747 PolarHBondContact O-N 2.86Å; S745-D747 VanDerWaalsContact O-N 3.09Å; S745-A748 PolarHBondContact O-N 3.06Å; S745-A748 WeakPolarHBondContact OG-CB 3.37Å; S745-A748 PolarHBondContact OG-N 3.5Å; S745-Y749 PolarHBondContact O-N 3.42Å; S745-Y749 VanDerWaalsContact O-N 3.13Å |
| 746 | T | 55.2 | Low | 56.9 | Low | 111 Ų | 111 | 114.7 Ų | 114.7 | 68% | 0.681 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -51.7 | -34.2 | 170.7 | 29.5 | 0 | 0 | 0 | 0 | 109.9 | Y749 L750 | T746-Y749 PolarHBondContact O-N 3.01Å; T746-L750 WeakPolarHBondContact O-CB 3.21Å; T746-L750 WeakPolarHBondContact O-CD1 3.39Å; T746-L750 WeakPolarHBondContact O-CG 3.25Å; T746-L750 PolarHBondContact O-N 3.43Å |
| 747 | D | 65.5 | Low | 59.2 | Low | 104 Ų | 104 | 114.3 Ų | 114.3 | 56% | 0.556 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -63.8 | -45.8 | 173.3 | -45.8 | -59.5 | 0 | 0 | 0 | 113.5 | S745 Y749 L750 E751 | S745-D747 PolarHBondContact O-N 2.86Å; S745-D747 VanDerWaalsContact O-N 3.09Å; D747-Y749 VanDerWaalsContact C-N 3.32Å; D747-Y749 PolarHBondContact O-N 2.95Å; D747-L750 CarbonylContact O-C 3.28Å; D747-L750 PolarHBondContact O-N 3.12Å; D747-E751 WeakPolarHBondContact O-CB 3.38Å; D747-E751 PolarHBondContact O-N 3.44Å |
| 748 | A | 69.9 | Low | 61.7 | Low | 42 Ų | 42 | 105.2 Ų | 105.2 | 35% | 0.347 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -63 | -37.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | P744 S745 Q752 | P744-A748 HydrophobicContact CB-CB 4.46Å; S745-A748 PolarHBondContact O-N 3.06Å; S745-A748 WeakPolarHBondContact OG-CB 3.37Å; S745-A748 PolarHBondContact OG-N 3.5Å; A748-Q752 WeakPolarHBondContact O-CB 3.34Å; A748-Q752 PolarHBondContact O-N 3.44Å |
| 749 | Y | 71.2 | Confident | 64 | Low | 152 Ų | 152 | 104.9 Ų | 104.9 | 60% | 0.596 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -73.9 | -36.8 | 173.8 | -171.9 | -95.4 | 0 | 0 | 0 | 112.1 | S745 T746 D747 T753 | S745-Y749 PolarHBondContact O-N 3.42Å; S745-Y749 VanDerWaalsContact O-N 3.13Å; T746-Y749 PolarHBondContact O-N 3.01Å; D747-Y749 VanDerWaalsContact C-N 3.32Å; D747-Y749 PolarHBondContact O-N 2.95Å; Y749-T753 WeakPolarHBondContact O-CB 3.21Å; Y749-T753 PolarHBondContact O-N 3.46Å; Y749-T753 PolarHBondContact O-OG1 3.46Å |
| 750 | L | 82.1 | Confident | 66.5 | Low | 107 Ų | 107 | 104.9 Ų | 104.9 | 56% | 0.56 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -66.6 | -35.2 | 173.3 | -77.9 | 165.1 | 0 | 0 | 0 | 112 | T746 D747 T753 A754 | T746-L750 WeakPolarHBondContact O-CB 3.21Å; T746-L750 WeakPolarHBondContact O-CD1 3.39Å; T746-L750 WeakPolarHBondContact O-CG 3.25Å; T746-L750 PolarHBondContact O-N 3.43Å; D747-L750 CarbonylContact O-C 3.28Å; D747-L750 PolarHBondContact O-N 3.12Å; L750-T753 CarbonylContact O-C 3.3Å; L750-T753 PolarHBondContact O-N 3.31Å; L750-A754 WeakPolarHBondContact O-CB 3.42Å; L750-A754 PolarHBondContact O-N 3.14Å |
| 751 | E | 81.1 | Confident | 68.8 | Low | 142 Ų | 142 | 105.1 Ų | 105.1 | 66% | 0.664 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -76.5 | -42.6 | 179.4 | -176 | 170.5 | -149.2 | 0 | 0 | 110.8 | D747 T753 A754 A755 | D747-E751 WeakPolarHBondContact O-CB 3.38Å; D747-E751 PolarHBondContact O-N 3.44Å; E751-T753 VanDerWaalsContact C-N 3.26Å; E751-T753 PolarHBondContact O-N 2.92Å; E751-A754 CarbonylContact O-C 3.59Å; E751-A754 PolarHBondContact O-N 2.88Å; E751-A754 VanDerWaalsContact O-N 3.16Å; E751-A755 WeakPolarHBondContact O-CB 3.46Å; E751-A755 PolarHBondContact O-N 3.48Å |
| 752 | Q | 78.9 | Confident | 70.7 | Confident | 142 Ų | 142 | 97.6 Ų | 97.6 | 66% | 0.664 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -60.4 | -39.1 | 168.3 | -169.3 | 177.6 | 21 | 0 | 0 | 111.2 | A748 A756 | A748-Q752 WeakPolarHBondContact O-CB 3.34Å; A748-Q752 PolarHBondContact O-N 3.44Å; Q752-A756 WeakPolarHBondContact O-CB 3.47Å; Q752-A756 PolarHBondContact O-N 3.15Å |
| 753 | T | 82.3 | Confident | 72.4 | Confident | 51 Ų | 51 | 94.8 Ų | 94.8 | 31% | 0.313 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67.2 | -38.3 | 173.7 | -60.4 | 0 | 0 | 0 | 0 | 111.8 | Y749 L750 E751 A756 I757 | Y749-T753 WeakPolarHBondContact O-CB 3.21Å; Y749-T753 PolarHBondContact O-N 3.46Å; Y749-T753 PolarHBondContact O-OG1 3.46Å; L750-T753 CarbonylContact O-C 3.3Å; L750-T753 PolarHBondContact O-N 3.31Å; E751-T753 VanDerWaalsContact C-N 3.26Å; E751-T753 PolarHBondContact O-N 2.92Å; T753-A756 PolarHBondContact O-N 2.92Å; T753-I757 HydrophobicContact CG2-CD1 3.81Å; T753-I757 HydrophobicContact CG2-CG1 4.44Å; T753-I757 WeakPolarHBondContact O-CB 3.49Å; T753-I757 VanDerWaalsContact O-CG1 3.22Å; T753-I757 WeakPolarHBondContact O-CG1 3.36Å; T753-I757 PolarHBondContact O-N 3.22Å |
| 754 | A | 80.7 | Confident | 73.9 | Confident | 53 Ų | 53 | 88.7 Ų | 88.7 | 44% | 0.438 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -71.1 | -37.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L750 E751 I757 S758 | L750-A754 WeakPolarHBondContact O-CB 3.42Å; L750-A754 PolarHBondContact O-N 3.14Å; E751-A754 CarbonylContact O-C 3.59Å; E751-A754 PolarHBondContact O-N 2.88Å; E751-A754 VanDerWaalsContact O-N 3.16Å; A754-I757 PolarHBondContact O-N 3.35Å; A754-S758 WeakPolarHBondContact O-CB 3.41Å; A754-S758 PolarHBondContact O-N 2.86Å |
| 755 | A | 84.4 | Confident | 74.8 | Confident | 49 Ų | 49 | 87.9 Ų | 87.9 | 41% | 0.405 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.8 | -39.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | E751 S758 N759 | E751-A755 WeakPolarHBondContact O-CB 3.46Å; E751-A755 PolarHBondContact O-N 3.48Å; A755-S758 PolarHBondContact O-N 3.06Å; A755-N759 WeakPolarHBondContact O-CB 3.42Å; A755-N759 PolarHBondContact O-N 3.27Å; A755-N759 PolarHBondContact O-ND2 3.46Å |
| 756 | A | 82 | Confident | 75.3 | Confident | 61 Ų | 61 | 94.5 Ų | 94.5 | 50% | 0.504 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.5 | -43.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112 | Q752 T753 N759 L760 | Q752-A756 WeakPolarHBondContact O-CB 3.47Å; Q752-A756 PolarHBondContact O-N 3.15Å; T753-A756 PolarHBondContact O-N 2.92Å; A756-N759 PolarHBondContact O-N 3.1Å; A756-L760 VanDerWaalsContact O-CB 3.32Å; A756-L760 WeakPolarHBondContact O-CB 3.37Å; A756-L760 PolarHBondContact O-N 2.89Å |
| 757 | I | 81.6 | Confident | 74.8 | Confident | 81 Ų | 81 | 98.3 Ų | 98.3 | 42% | 0.415 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.8 | -38.7 | 175.2 | -71.7 | 167.9 | 0 | 0 | 0 | 111.2 | T753 A754 L760 Q761 | T753-I757 HydrophobicContact CG2-CD1 3.81Å; T753-I757 HydrophobicContact CG2-CG1 4.44Å; T753-I757 WeakPolarHBondContact O-CB 3.49Å; T753-I757 VanDerWaalsContact O-CG1 3.22Å; T753-I757 WeakPolarHBondContact O-CG1 3.36Å; T753-I757 PolarHBondContact O-N 3.22Å; A754-I757 PolarHBondContact O-N 3.35Å; I757-L760 PolarHBondContact O-N 3Å; I757-Q761 HydrophobicContact CG2-CG 4.3Å; I757-Q761 WeakPolarHBondContact O-CB 3.17Å; I757-Q761 VanDerWaalsContact O-CG 3.28Å; I757-Q761 WeakPolarHBondContact O-CG 3.37Å; I757-Q761 PolarHBondContact O-N 3.21Å |
| 758 | S | 84.4 | Confident | 73.8 | Confident | 51 Ų | 51 | 97.6 Ų | 97.6 | 36% | 0.357 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.4 | -44.1 | 176.7 | 178.8 | 0 | 0 | 0 | 0 | 111.4 | A754 A755 L760 Q761 Q762 | A754-S758 WeakPolarHBondContact O-CB 3.41Å; A754-S758 PolarHBondContact O-N 2.86Å; A755-S758 PolarHBondContact O-N 3.06Å; S758-L760 VanDerWaalsContact C-N 3.34Å; S758-L760 PolarHBondContact O-N 3.37Å; S758-Q761 PolarHBondContact O-N 3.39Å; S758-Q762 WeakPolarHBondContact O-CB 3.32Å; S758-Q762 WeakPolarHBondContact O-CG 3.49Å; S758-Q762 PolarHBondContact O-N 2.92Å |
| 759 | N | 80.2 | Confident | 72.5 | Confident | 105 Ų | 105 | 100 Ų | 100 | 56% | 0.561 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62.7 | -41 | 171.8 | -83.4 | -79.6 | 0 | 0 | 0 | 111.8 | A755 A756 Q762 S763 | A755-N759 WeakPolarHBondContact O-CB 3.42Å; A755-N759 PolarHBondContact O-N 3.27Å; A755-N759 PolarHBondContact O-ND2 3.46Å; A756-N759 PolarHBondContact O-N 3.1Å; N759-Q762 PolarHBondContact O-N 3.43Å; N759-S763 WeakPolarHBondContact O-CB 3.44Å; N759-S763 PolarHBondContact O-N 2.82Å |
| 760 | L | 83.7 | Confident | 70.8 | Confident | 101 Ų | 101 | 99 Ų | 99 | 53% | 0.529 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.7 | -45.2 | 175.8 | -172.1 | 66.7 | 0 | 0 | 0 | 111.1 | A756 I757 S758 S763 L764 | A756-L760 VanDerWaalsContact O-CB 3.32Å; A756-L760 WeakPolarHBondContact O-CB 3.37Å; A756-L760 PolarHBondContact O-N 2.89Å; I757-L760 PolarHBondContact O-N 3Å; S758-L760 VanDerWaalsContact C-N 3.34Å; S758-L760 PolarHBondContact O-N 3.37Å; L760-S763 CarbonylContact O-C 3.57Å; L760-S763 PolarHBondContact O-N 3.18Å; L760-S763 PolarHBondContact O-OG 3.43Å; L760-L764 HydrophobicContact CG-CD1 3.99Å; L760-L764 WeakPolarHBondContact O-CB 3.33Å; L760-L764 VanDerWaalsContact O-CG 3.28Å; L760-L764 WeakPolarHBondContact O-CG 3.43Å; L760-L764 PolarHBondContact O-N 2.8Å |
| 761 | Q | 78.2 | Confident | 68.5 | Low | 117 Ų | 117 | 102.5 Ų | 102.5 | 55% | 0.547 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -61.6 | -44.3 | 175 | -77.3 | 177.2 | 1.2 | 0 | 0 | 111.8 | I757 S758 S763 L764 S765 | I757-Q761 HydrophobicContact CG2-CG 4.3Å; I757-Q761 WeakPolarHBondContact O-CB 3.17Å; I757-Q761 VanDerWaalsContact O-CG 3.28Å; I757-Q761 WeakPolarHBondContact O-CG 3.37Å; I757-Q761 PolarHBondContact O-N 3.21Å; S758-Q761 PolarHBondContact O-N 3.39Å; Q761-S763 VanDerWaalsContact C-N 3.32Å; Q761-S763 PolarHBondContact O-N 2.89Å; Q761-L764 CarbonylContact O-C 3.59Å; Q761-L764 PolarHBondContact O-N 3.16Å; Q761-L764 VanDerWaalsContact O-N 3.16Å; Q761-S765 PolarHBondContact O-N 3.07Å; Q761-S765 PolarHBondContact O-OG 3.44Å |
| 762 | Q | 76.5 | Confident | 66.3 | Low | 95 Ų | 95 | 100.8 Ų | 100.8 | 44% | 0.444 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -61.8 | -39.6 | 173.1 | -73.4 | -176.1 | 48.5 | 0 | 0 | 112 | S758 N759 L764 R766 | S758-Q762 WeakPolarHBondContact O-CB 3.32Å; S758-Q762 WeakPolarHBondContact O-CG 3.49Å; S758-Q762 PolarHBondContact O-N 2.92Å; N759-Q762 PolarHBondContact O-N 3.43Å; Q762-L764 VanDerWaalsContact C-N 3.31Å; Q762-L764 PolarHBondContact O-N 3.18Å; Q762-R766 WeakPolarHBondContact O-CB 3.34Å; Q762-R766 WeakPolarHBondContact O-CD 3.25Å; Q762-R766 WeakPolarHBondContact O-CG 3.28Å; Q762-R766 PolarHBondContact O-N 3.36Å |
| 763 | S | 72.6 | Confident | 64.4 | Low | 45 Ų | 45 | 100.4 Ų | 100.4 | 32% | 0.315 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -67.3 | -32.9 | 175.3 | 83.6 | 0 | 0 | 0 | 0 | 112.4 | N759 L760 Q761 R767 | N759-S763 WeakPolarHBondContact O-CB 3.44Å; N759-S763 PolarHBondContact O-N 2.82Å; L760-S763 CarbonylContact O-C 3.57Å; L760-S763 PolarHBondContact O-N 3.18Å; L760-S763 PolarHBondContact O-OG 3.43Å; Q761-S763 VanDerWaalsContact C-N 3.32Å; Q761-S763 PolarHBondContact O-N 2.89Å; S763-R767 WeakPolarHBondContact O-CB 3.48Å; S763-R767 VanDerWaalsContact O-CD 3.32Å; S763-R767 WeakPolarHBondContact O-CD 3.47Å; S763-R767 WeakPolarHBondContact O-CG 3.39Å; S763-R767 PolarHBondContact O-N 3.08Å |
| 764 | L | 69.2 | Low | 62 | Low | 94 Ų | 94 | 102 Ų | 102 | 49% | 0.492 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -77.5 | -40.3 | 177.6 | -74 | 169.7 | 0 | 0 | 0 | 111.7 | L760 Q761 Q762 R766 R767 S768 | L760-L764 HydrophobicContact CG-CD1 3.99Å; L760-L764 WeakPolarHBondContact O-CB 3.33Å; L760-L764 VanDerWaalsContact O-CG 3.28Å; L760-L764 WeakPolarHBondContact O-CG 3.43Å; L760-L764 PolarHBondContact O-N 2.8Å; Q761-L764 CarbonylContact O-C 3.59Å; Q761-L764 PolarHBondContact O-N 3.16Å; Q761-L764 VanDerWaalsContact O-N 3.16Å; Q762-L764 VanDerWaalsContact C-N 3.31Å; Q762-L764 PolarHBondContact O-N 3.18Å; L764-R766 VanDerWaalsContact C-N 3.3Å; L764-R766 PolarHBondContact O-N 3.19Å; L764-R767 CarbonylContact O-C 3.51Å; L764-R767 WeakPolarHBondContact O-CA 3.49Å; L764-R767 PolarHBondContact O-N 2.82Å; L764-S768 WeakPolarHBondContact O-CB 3.49Å; L764-S768 PolarHBondContact O-N 3.48Å; L764-S768 PolarHBondContact O-OG 2.89Å |
| 765 | S | 66.2 | Low | 59.7 | Low | 81 Ų | 81 | 108.1 Ų | 108.1 | 57% | 0.566 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -63.4 | -36.1 | 171.5 | -62.5 | 0 | 0 | 0 | 0 | 112 | Q761 R767 S768 | Q761-S765 PolarHBondContact O-N 3.07Å; Q761-S765 PolarHBondContact O-OG 3.44Å; S765-R767 PolarHBondContact O-N 2.87Å; S765-S768 PolarHBondContact O-OG 2.75Å |
| 766 | R | 54.6 | Low | 57.1 | Low | 201 Ų | 201 | 109.5 Ų | 109.5 | 76% | 0.758 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -69.9 | -6.1 | 169.4 | -68.7 | 170.5 | -166.2 | -102.3 | 7 | 113.8 | Q762 L764 | Q762-R766 WeakPolarHBondContact O-CB 3.34Å; Q762-R766 WeakPolarHBondContact O-CD 3.25Å; Q762-R766 WeakPolarHBondContact O-CG 3.28Å; Q762-R766 PolarHBondContact O-N 3.36Å; L764-R766 VanDerWaalsContact C-N 3.3Å; L764-R766 PolarHBondContact O-N 3.19Å |
| 767 | R | 46.2 | Very low | 54.9 | Low | 190 Ų | 190 | 109.2 Ų | 109.2 | 72% | 0.717 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -119.3 | -19.2 | 179.6 | -75.7 | 171.4 | 170.5 | -87.6 | -0.2 | 114.2 | S763 L764 S765 S769 | S763-R767 WeakPolarHBondContact O-CB 3.48Å; S763-R767 VanDerWaalsContact O-CD 3.32Å; S763-R767 WeakPolarHBondContact O-CD 3.47Å; S763-R767 WeakPolarHBondContact O-CG 3.39Å; S763-R767 PolarHBondContact O-N 3.08Å; L764-R767 CarbonylContact O-C 3.51Å; L764-R767 WeakPolarHBondContact O-CA 3.49Å; L764-R767 PolarHBondContact O-N 2.82Å; S765-R767 PolarHBondContact O-N 2.87Å; R767-S769 VanDerWaalsContact C-N 3.32Å |
| 768 | S | 44.2 | Very low | 53.3 | Low | 89 Ų | 89 | 110.2 Ų | 110.2 | 62% | 0.622 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -83 | -12.9 | 174.5 | 63.8 | 0 | 0 | 0 | 0 | 112.4 | L764 S765 V770 | L764-S768 WeakPolarHBondContact O-CB 3.49Å; L764-S768 PolarHBondContact O-N 3.48Å; L764-S768 PolarHBondContact O-OG 2.89Å; S765-S768 PolarHBondContact O-OG 2.75Å; S768-V770 PolarHBondContact O-N 3.37Å |
| 769 | S | 41.2 | Very low | 50.8 | Low | 94 Ų | 94 | 113.3 Ų | 113.3 | 66% | 0.657 | 62% | 0.622 | S | S | * | * | | | trans | -74.8 | 64.4 | 167.5 | -172.8 | 0 | 0 | 0 | 0 | 111.4 | R767 | R767-S769 VanDerWaalsContact C-N 3.32Š|
| 770 | V | 36.2 | Very low | 48.6 | Very low | 129 Ų | 129 | 115.5 Ų | 115.5 | 78% | 0.782 | 63% | 0.629 | S | S | * | * | | | trans | -100.9 | 58.8 | 173.6 | -76.2 | 0 | 0 | 0 | 0 | 111.3 | S768 | S768-V770 PolarHBondContact O-N 3.37Š|
| 771 | K | 34.9 | Very low | 46.3 | Very low | 181 Ų | 181 | 115.3 Ų | 115.3 | 79% | 0.787 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -146.5 | 141.8 | 168.4 | -157.2 | 75.8 | 174.7 | -176.2 | 0 | 108.6 | | |
| 772 | S | 35 | Very low | 44.3 | Very low | 107 Ų | 107 | 117.1 Ų | 117.1 | 75% | 0.748 | 65% | 0.649 | S | S | * | * | | | trans | 65.9 | 87.9 | 176 | -53.3 | 0 | 0 | 0 | 0 | 117.1 | | |
| 773 | P | 38.9 | Very low | 42.3 | Very low | 134 Ų | 134 | 120.6 Ų | 120.6 | 87% | 0.87 | 67% | 0.665 | S | S | * | * | | | trans | -87 | 114.2 | 162.4 | 33.2 | -27.9 | 0 | 0 | 0 | 110.8 | | |
| 774 | A | 30.1 | Very low | 40.5 | Very low | 83 Ų | 83 | 123.2 Ų | 123.2 | 69% | 0.686 | 68% | 0.683 | S | S | * | * | | | trans | -151.2 | 122.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 775 | Q | 32.5 | Very low | 39 | Very low | 182 Ų | 182 | 122.1 Ų | 122.1 | 85% | 0.85 | 70% | 0.695 | S | S | * | * | | | trans | 58.6 | 116 | 146.8 | -61.6 | 171.7 | -2.2 | 0 | 0 | 119.1 | | |
| 776 | S | 31.1 | Very low | 37.4 | Very low | 78 Ų | 78 | 127 Ų | 127 | 55% | 0.545 | 71% | 0.711 | S | S | . | * | | | cis | 94.8 | 151.4 | 37.7 | 74.4 | 0 | 0 | 0 | 0 | 113.3 | E1039 | S776-E1039 WeakPolarHBondContact CB-OE1 3.43Å; S776-E1039 VanDerWaalsContact CB-OE2 3.29Å; S776-E1039 WeakPolarHBondContact CB-OE2 3.46Å; S776-E1039 PolarHBondContact OG-OE1 3.48Å; S776-E1039 PolarHBondContact OG-OE2 3.02Å |
| 777 | S | 35.9 | Very low | 36.7 | Very low | 55 Ų | 55 | 121.3 Ų | 121.3 | 39% | 0.385 | 72% | 0.715 | S | S | . | * | | | cis | -156.6 | 165.1 | -11.4 | -91.4 | 0 | 0 | 0 | 0 | 110.7 | E1039 | S777-E1039 VanDerWaalsContact CB-CD 3.5Å; S777-E1039 VanDerWaalsContact CB-OE1 3.29Å; S777-E1039 WeakPolarHBondContact CB-OE1 3.22Å; S777-E1039 VanDerWaalsContact CB-OE2 3.22Å; S777-E1039 WeakPolarHBondContact CB-OE2 3.39Å; S777-E1039 PolarHBondContact N-OE1 2.76Å; S777-E1039 VanDerWaalsContact N-OE1 3.12Å; S777-E1039 PolarHBondContact OG-OE2 3.32Å |
| 778 | P | 46.7 | Very low | 36.3 | Very low | 103 Ų | 103 | 117.6 Ų | 117.6 | 67% | 0.669 | 72% | 0.724 | S | S | * | * | | | trans | -97.3 | -179.4 | -170.7 | 40.2 | -38.7 | 0 | 0 | 0 | 115.6 | | |
| 779 | Q | 32.4 | Very low | 35.8 | Very low | 115 Ų | 115 | 117 Ų | 117 | 54% | 0.537 | 73% | 0.732 | S | S | . | * | | | trans | -176.6 | 139.7 | 148.9 | -100.1 | -58.5 | -29.6 | 0 | 0 | 114.3 | R1038 | Q779-R1038 HydrophobicContact CB-CB 4.25Å; Q779-R1038 HydrophobicContact CG-CB 3.52Å; Q779-R1038 HydrophobicContact CG-CG 4.27Å |
| 780 | H | 34.8 | Very low | 35.6 | Very low | 151 Ų | 151 | 117.8 Ų | 117.8 | 70% | 0.699 | 75% | 0.745 | S | S | * | * | | | trans | 42.1 | 167.3 | 149.7 | 75.6 | 0.2 | 0 | 0 | 0 | 123 | | |
| 781 | S | 34.8 | Very low | 35.6 | Very low | 97 Ų | 97 | 115.5 Ų | 115.5 | 68% | 0.678 | 75% | 0.747 | S | S | * | * | | | cis | -153.7 | 166.3 | 8.6 | -148.1 | 0 | 0 | 0 | 0 | 116.3 | | |
| 782 | L | 36.8 | Very low | 35.6 | Very low | 156 Ų | 156 | 110.6 Ų | 110.6 | 82% | 0.817 | 75% | 0.748 | S | S | * | * | | | trans | -27.9 | 155.9 | 170.2 | -65.1 | 156.7 | 0 | 0 | 0 | 122.1 | | |
| 783 | E | 34.1 | Very low | 35.6 | Very low | 168 Ų | 168 | 109.2 Ų | 109.2 | 79% | 0.785 | 75% | 0.751 | S | S | * | * | | | | -155.2 | 162.2 | 116.8 | -163.6 | 43.8 | -99.9 | 0 | 0 | 111.8 | | |
| 784 | S | 34.7 | Very low | 35.6 | Very low | 99 Ų | 99 | 113.8 Ų | 113.8 | 69% | 0.692 | 75% | 0.752 | S | S | * | * | | | trans | -64.3 | 165.5 | -159.5 | -63.4 | 0 | 0 | 0 | 0 | 120 | | |
| 785 | G | 36.7 | Very low | 35.9 | Very low | 71 Ų | 71 | 121.7 Ų | 121.7 | 73% | 0.732 | 76% | 0.764 | S | S | * | * | | | trans | -176.4 | 5.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 123 | | |
| 786 | M | 34.2 | Very low | 36.3 | Very low | 184 Ų | 184 | 124.2 Ų | 124.2 | 91% | 0.906 | 77% | 0.766 | S | S | * | * | | | trans | 46.8 | 124.8 | 167.3 | -83.1 | 58.7 | 169.7 | 0 | 0 | 121.7 | | |
| 787 | G | 38.5 | Very low | 36.5 | Very low | 82 Ų | 82 | 123.9 Ų | 123.9 | 85% | 0.845 | 76% | 0.764 | S | S | * | * | | | trans | 165.4 | 89.2 | 162.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 788 | A | 38.5 | Very low | 36.7 | Very low | 111 Ų | 111 | 128.1 Ų | 128.1 | 92% | 0.917 | 79% | 0.79 | S | S | * | * | | | trans | -78.7 | 158.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 789 | G | 33.6 | Very low | 36.3 | Very low | 76 Ų | 76 | 128.9 Ų | 128.9 | 78% | 0.784 | 79% | 0.788 | S | S | * | * | | | cis | 145 | 131 | -9.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 790 | A | 37.1 | Very low | 36.5 | Very low | 112 Ų | 112 | 130.8 Ų | 130.8 | 93% | 0.926 | 80% | 0.797 | S | S | * | * | | | trans | -174.1 | 159.1 | 164.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 791 | G | 36.8 | Very low | 36.7 | Very low | 80 Ų | 80 | 135.4 Ų | 135.4 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | | | trans | 97.9 | 66.2 | 152.9 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 792 | G | 35.1 | Very low | 36.8 | Very low | 78 Ų | 78 | 133.9 Ų | 133.9 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | | | trans | -43.9 | 137.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 793 | G | 33.3 | Very low | 36.9 | Very low | 79 Ų | 79 | 131.6 Ų | 131.6 | 81% | 0.814 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -99 | 136.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 794 | Y | 40.5 | Very low | 37.1 | Very low | 229 Ų | 229 | 131.3 Ų | 131.3 | 90% | 0.898 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -103.4 | 117.2 | 172 | -76.5 | -80.7 | 0 | 0 | 0 | 112.1 | | |
| 795 | R | 35.8 | Very low | 37.3 | Very low | 250 Ų | 250 | 133.5 Ų | 133.5 | 94% | 0.943 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 127.8 | 165.8 | -66.7 | -75.8 | -159.6 | -165.2 | 1.5 | 109.2 | | |
| 796 | R | 40.2 | Very low | 37.2 | Very low | 234 Ų | 234 | 133.6 Ų | 133.6 | 88% | 0.883 | 79% | 0.789 | S | S | * | * | | | trans | -136.3 | 113.4 | 166.5 | -103.4 | -176.7 | 171.5 | -104.8 | -1.5 | 114.4 | | |
| 797 | S | 36.1 | Very low | 37.7 | Very low | 72 Ų | 72 | 129.2 Ų | 129.2 | 50% | 0.503 | 78% | 0.776 | S | S | . | * | | | trans | 46.2 | 107.7 | 146.4 | 58.1 | 0 | 0 | 0 | 0 | 120.6 | L799 | S797-L799 VanDerWaalsContact C-N 3.3Å; S797-L799 PolarHBondContact O-N 3.39Å |
| 798 | P | 39.4 | Very low | 38.6 | Very low | 144 Ų | 144 | 130.5 Ų | 130.5 | 94% | 0.935 | 76% | 0.762 | S | S | * | * | | | trans | -76.9 | 76 | 160.6 | 33.8 | -34.1 | 0 | 0 | 0 | 111.1 | | |
| 799 | L | 38.4 | Very low | 40.1 | Very low | 119 Ų | 119 | 129.4 Ų | 129.4 | 62% | 0.623 | 74% | 0.741 | S | S | * | * | | | trans | -112.4 | -15.1 | -175.9 | -110.1 | 166.3 | 0 | 0 | 0 | 115.3 | S797 R801 | S797-L799 VanDerWaalsContact C-N 3.3Å; S797-L799 PolarHBondContact O-N 3.39Å; L799-R801 VanDerWaalsContact C-N 3.32Å; L799-R801 PolarHBondContact O-N 2.88Å |
| 800 | H | 37.6 | Very low | 42 | Very low | 155 Ų | 155 | 133 Ų | 133 | 72% | 0.718 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | 1.9 | -168 | -141 | -69.4 | 0 | 0 | 0 | 116.1 | | |
| 801 | R | 37.7 | Very low | 43.8 | Very low | 248 Ų | 248 | 130.3 Ų | 130.3 | 94% | 0.936 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97 | -6 | -179.3 | -173.1 | 167.1 | -76.7 | 175.2 | -2.9 | 113.8 | L799 | L799-R801 VanDerWaalsContact C-N 3.32Å; L799-R801 PolarHBondContact O-N 2.88Å |
| 802 | A | 36.7 | Very low | 45.6 | Very low | 64 Ų | 64 | 131.6 Ų | 131.6 | 53% | 0.529 | 70% | 0.7 | S | S | . | * | S | Bend | trans | -98.2 | -0.7 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | S806 | A802-S806 PolarHBondContact O-OG 3.49Š|
| 803 | L | 39.9 | Very low | 47.5 | Very low | 108 Ų | 108 | 132.1 Ų | 132.1 | 57% | 0.565 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -117.2 | 7.4 | -161.3 | -63.2 | 177.1 | 0 | 0 | 0 | 116 | | |
| 804 | M | 38.2 | Very low | 49.5 | Very low | 162 Ų | 162 | 134 Ų | 134 | 80% | 0.798 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -115.8 | 10.8 | -174.5 | -76.2 | -178.4 | 157.2 | 0 | 0 | 115.1 | | |
| 805 | T | 40 | Very low | 51.2 | Low | 145 Ų | 145 | 128.7 Ų | 128.7 | 89% | 0.89 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -146.6 | 22.8 | 173.7 | 67.1 | 0 | 0 | 0 | 0 | 113.1 | | |
| 806 | S | 33.4 | Very low | 53.1 | Low | 74 Ų | 74 | 121.3 Ų | 121.3 | 52% | 0.517 | 64% | 0.637 | S | S | . | * | S | Bend | trans | -141.7 | -2.8 | -153.6 | 45.9 | 0 | 0 | 0 | 0 | 116.9 | A802 | A802-S806 PolarHBondContact O-OG 3.49Š|
| 807 | S | 45.4 | Very low | 54.6 | Low | 92 Ų | 92 | 115 Ų | 115 | 64% | 0.643 | 62% | 0.624 | S | S | * | * | | | trans | -142.7 | 17.2 | -172.3 | 72.4 | 0 | 0 | 0 | 0 | 116.5 | N809 | S807-N809 PolarHBondContact O-N 3.48Š|
| 808 | I | 57.4 | Low | 56.4 | Low | 108 Ų | 108 | 113.1 Ų | 113.1 | 55% | 0.554 | 61% | 0.611 | S | S | * | * | | | trans | -76.2 | 112 | 163.4 | -165.4 | 166.5 | 0 | 0 | 0 | 106.9 | Q812 L813 | I808-Q812 HydrophobicContact CG1-CB 4.08Å; I808-L813 HydrophobicContact CD1-CD1 3.66Å; I808-L813 HydrophobicContact CG1-CD1 3.8Å; I808-L813 HydrophobicContact CG2-CD1 3.95Å |
| 809 | N | 70.1 | Confident | 58.5 | Low | 88 Ų | 88 | 109.1 Ų | 109.1 | 47% | 0.471 | 60% | 0.596 | S | S | . | * | | | trans | -80 | 162.4 | -176 | 89 | -12.6 | 0 | 0 | 0 | 111.3 | S807 A811 Q812 L813 | S807-N809 PolarHBondContact O-N 3.48Å; N809-A811 VanDerWaalsContact C-N 3.25Å; N809-A811 PolarHBondContact O-N 2.93Å; N809-A811 PolarHBondContact OD1-N 2.85Å; N809-Q812 PolarHBondContact O-N 3.08Å; N809-Q812 VanDerWaalsContact O-N 3.13Å; N809-Q812 WeakPolarHBondContact OD1-CG 3.28Å; N809-Q812 PolarHBondContact OD1-N 3.12Å; N809-L813 PolarHBondContact O-N 3.14Å; N809-L813 VanDerWaalsContact O-N 3.17Å |
| 810 | E | 73.4 | Confident | 60.4 | Low | 151 Ų | 151 | 111.1 Ų | 111.1 | 71% | 0.706 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -61.3 | -35 | -175.6 | -168.1 | 166.7 | 176.6 | 0 | 0 | 112.4 | L813 Q814 | E810-L813 WeakPolarHBondContact O-CB 3.32Å; E810-L813 PolarHBondContact O-N 3.3Å; E810-Q814 PolarHBondContact O-N 2.74Å |
| 811 | A | 74.4 | Confident | 62.5 | Low | 57 Ų | 57 | 108.3 Ų | 108.3 | 47% | 0.471 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -66.4 | -35.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | N809 Q814 L815 | N809-A811 VanDerWaalsContact C-N 3.25Å; N809-A811 PolarHBondContact O-N 2.93Å; N809-A811 PolarHBondContact OD1-N 2.85Å; A811-Q814 PolarHBondContact O-N 2.91Å; A811-L815 WeakPolarHBondContact O-CB 3.33Å; A811-L815 PolarHBondContact O-N 3.35Å |
| 812 | Q | 74.3 | Confident | 64.5 | Low | 106 Ų | 106 | 101.3 Ų | 101.3 | 50% | 0.495 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -66.9 | -40 | 171.9 | -76.6 | -179.9 | -7.2 | 0 | 0 | 111.2 | I808 N809 L815 L816 | I808-Q812 HydrophobicContact CG1-CB 4.08Å; N809-Q812 PolarHBondContact O-N 3.08Å; N809-Q812 VanDerWaalsContact O-N 3.13Å; N809-Q812 WeakPolarHBondContact OD1-CG 3.28Å; N809-Q812 PolarHBondContact OD1-N 3.12Å; Q812-L815 PolarHBondContact O-N 3.16Å; Q812-L816 WeakPolarHBondContact O-CB 3.19Å; Q812-L816 PolarHBondContact O-N 2.87Å; Q812-L816 VanDerWaalsContact O-N 3.08Å |
| 813 | L | 76.2 | Confident | 66.8 | Low | 90 Ų | 90 | 102.1 Ų | 102.1 | 47% | 0.471 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -61 | -45.1 | 171.5 | -115.8 | 79.2 | 0 | 0 | 0 | 111.3 | I808 N809 E810 L816 T817 | I808-L813 HydrophobicContact CD1-CD1 3.66Å; I808-L813 HydrophobicContact CG1-CD1 3.8Å; I808-L813 HydrophobicContact CG2-CD1 3.95Å; N809-L813 PolarHBondContact O-N 3.14Å; N809-L813 VanDerWaalsContact O-N 3.17Å; E810-L813 WeakPolarHBondContact O-CB 3.32Å; E810-L813 PolarHBondContact O-N 3.3Å; L813-L816 PolarHBondContact O-N 3.23Å; L813-T817 WeakPolarHBondContact O-CB 3.44Å; L813-T817 WeakPolarHBondContact O-CG2 3.19Å; L813-T817 PolarHBondContact O-N 3.44Å; L813-T817 PolarHBondContact O-OG1 3.32Å |
| 814 | Q | 74.3 | Confident | 68.8 | Low | 117 Ų | 117 | 103.9 Ų | 103.9 | 55% | 0.547 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -64.8 | -38.2 | 178.1 | -79.7 | 174 | -17.8 | 0 | 0 | 112.5 | E810 A811 T817 S818 | E810-Q814 PolarHBondContact O-N 2.74Å; A811-Q814 PolarHBondContact O-N 2.91Å; Q814-T817 CarbonylContact O-C 3.57Å; Q814-T817 PolarHBondContact O-N 3.16Å; Q814-S818 WeakPolarHBondContact O-CA 3.25Å; Q814-S818 VanDerWaalsContact O-CB 3.31Å; Q814-S818 WeakPolarHBondContact O-CB 3.26Å; Q814-S818 PolarHBondContact O-N 3.48Å |
| 815 | L | 76.5 | Confident | 70.7 | Confident | 119 Ų | 119 | 100 Ų | 100 | 62% | 0.623 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -63.8 | -46.6 | 175 | -171.5 | 66.8 | 0 | 0 | 0 | 111.3 | A811 Q812 T817 S818 Y821 | A811-L815 WeakPolarHBondContact O-CB 3.33Å; A811-L815 PolarHBondContact O-N 3.35Å; Q812-L815 PolarHBondContact O-N 3.16Å; L815-T817 VanDerWaalsContact C-N 3.31Å; L815-T817 PolarHBondContact O-N 3.35Å; L815-S818 WeakPolarHBondContact O-CB 3.37Å; L815-S818 PolarHBondContact O-N 3.48Å; L815-S818 PolarHBondContact O-OG 2.81Å; L815-Y821 VanDerWaalsContact O-CB 3.3Å; L815-Y821 WeakPolarHBondContact O-CB 3.3Å |
| 816 | L | 74.6 | Confident | 72.4 | Confident | 94 Ų | 94 | 98.1 Ų | 98.1 | 49% | 0.492 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -69.1 | -22.6 | 177.9 | -83.9 | 152.1 | 0 | 0 | 0 | 114.3 | Q812 L813 Y821 | Q812-L816 WeakPolarHBondContact O-CB 3.19Å; Q812-L816 PolarHBondContact O-N 2.87Å; Q812-L816 VanDerWaalsContact O-N 3.08Å; L813-L816 PolarHBondContact O-N 3.23Å; L816-Y821 HydrophobicContact CD2-CE1 4.21Å |
| 817 | T | 72.3 | Confident | 74.4 | Confident | 102 Ų | 102 | 102.5 Ų | 102.5 | 63% | 0.626 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -104.2 | -0.1 | 176.7 | 56.5 | 0 | 0 | 0 | 0 | 113.8 | L813 Q814 L815 | L813-T817 WeakPolarHBondContact O-CB 3.44Å; L813-T817 WeakPolarHBondContact O-CG2 3.19Å; L813-T817 PolarHBondContact O-N 3.44Å; L813-T817 PolarHBondContact O-OG1 3.32Å; Q814-T817 CarbonylContact O-C 3.57Å; Q814-T817 PolarHBondContact O-N 3.16Å; L815-T817 VanDerWaalsContact C-N 3.31Å; L815-T817 PolarHBondContact O-N 3.35Å |
| 818 | S | 74.9 | Confident | 75.7 | Confident | 33 Ų | 33 | 107.4 Ų | 107.4 | 23% | 0.231 | 54% | 0.538 | C | S | . | . | S | Bend | trans | -62.4 | 143.9 | 177 | 67.9 | 0 | 0 | 0 | 0 | 111.3 | Q814 L815 E820 Y821 L822 | Q814-S818 WeakPolarHBondContact O-CA 3.25Å; Q814-S818 VanDerWaalsContact O-CB 3.31Å; Q814-S818 WeakPolarHBondContact O-CB 3.26Å; Q814-S818 PolarHBondContact O-N 3.48Å; L815-S818 WeakPolarHBondContact O-CB 3.37Å; L815-S818 PolarHBondContact O-N 3.48Å; L815-S818 PolarHBondContact O-OG 2.81Å; S818-E820 PolarHBondContact O-N 3.26Å; S818-Y821 PolarHBondContact O-N 3.16Å; S818-Y821 WeakPolarHBondContact OG-CB 3.35Å; S818-Y821 PolarHBondContact OG-N 2.85Å; S818-L822 PolarHBondContact O-N 3.5Å |
| 819 | G | 82.1 | Confident | 76 | Confident | 60 Ų | 60 | 112.2 Ų | 112.2 | 62% | 0.619 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -58 | -34 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L823 | G819-L823 VanDerWaalsContact O-CB 3.25Å; G819-L823 WeakPolarHBondContact O-CB 3.35Å; G819-L823 PolarHBondContact O-N 2.95Å |
| 820 | E | 79.6 | Confident | 75.4 | Confident | 161 Ų | 161 | 116.6 Ų | 116.6 | 75% | 0.752 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -64.2 | -44.2 | 176.5 | -65.8 | -140.2 | 125.5 | 0 | 0 | 113.4 | S818 L822 L823 K824 | S818-E820 PolarHBondContact O-N 3.26Å; E820-L822 VanDerWaalsContact C-N 3.35Å; E820-L822 PolarHBondContact O-N 3.02Å; E820-L823 PolarHBondContact O-N 3.34Å; E820-K824 VanDerWaalsContact O-CB 3.26Å; E820-K824 WeakPolarHBondContact O-CB 3.48Å; E820-K824 PolarHBondContact O-N 3.26Å |
| 821 | Y | 80.6 | Confident | 74.5 | Confident | 96 Ų | 96 | 116.2 Ų | 116.2 | 38% | 0.376 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -64.3 | -42.2 | 179.4 | -172.6 | -93.9 | 0 | 0 | 0 | 111 | L815 L816 S818 K824 Q825 | L815-Y821 VanDerWaalsContact O-CB 3.3Å; L815-Y821 WeakPolarHBondContact O-CB 3.3Å; L816-Y821 HydrophobicContact CD2-CE1 4.21Å; S818-Y821 PolarHBondContact O-N 3.16Å; S818-Y821 WeakPolarHBondContact OG-CB 3.35Å; S818-Y821 PolarHBondContact OG-N 2.85Å; Y821-K824 PolarHBondContact O-N 2.94Å; Y821-Q825 HydrophobicContact CD1-CG 4.32Å; Y821-Q825 HydrophobicContact CE1-CG 3.94Å; Y821-Q825 VanDerWaalsContact O-CG 3.32Å; Y821-Q825 WeakPolarHBondContact O-CG 3.33Å; Y821-Q825 PolarHBondContact O-N 3.37Å; Y821-Q825 PolarHBondContact OH-NE2 3.18Å; Y821-Q825 VanDerWaalsContact OH-NE2 3.1Å |
| 822 | L | 81.1 | Confident | 73.4 | Confident | 100 Ų | 100 | 118.2 Ų | 118.2 | 52% | 0.524 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -61.3 | -45.9 | 171.6 | -96.6 | 74.1 | 0 | 0 | 0 | 112 | S818 E820 K824 Q825 L826 | S818-L822 PolarHBondContact O-N 3.5Å; E820-L822 VanDerWaalsContact C-N 3.35Å; E820-L822 PolarHBondContact O-N 3.02Å; L822-K824 VanDerWaalsContact C-N 3.33Å; L822-K824 PolarHBondContact O-N 3.4Å; L822-Q825 PolarHBondContact O-N 2.91Å; L822-L826 WeakPolarHBondContact O-CB 3.45Å; L822-L826 WeakPolarHBondContact O-CG 3.42Å; L822-L826 PolarHBondContact O-N 3.08Å |
| 823 | L | 83.4 | Confident | 71.8 | Confident | 82 Ų | 82 | 121 Ų | 121 | 43% | 0.429 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -66.5 | -35 | -178.4 | -170.1 | 63.4 | 0 | 0 | 0 | 112.1 | G819 E820 L826 R827 | G819-L823 VanDerWaalsContact O-CB 3.25Å; G819-L823 WeakPolarHBondContact O-CB 3.35Å; G819-L823 PolarHBondContact O-N 2.95Å; E820-L823 PolarHBondContact O-N 3.34Å; L823-L826 PolarHBondContact O-N 3.08Å; L823-R827 WeakPolarHBondContact O-CG 3.28Å; L823-R827 PolarHBondContact O-N 3.23Å |
| 824 | K | 81.6 | Confident | 70.2 | Confident | 145 Ų | 145 | 126.1 Ų | 126.1 | 63% | 0.63 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -69.3 | -36.6 | 175.3 | -161.4 | 163.6 | -170.5 | 164.9 | 0 | 111.7 | E820 Y821 L822 R828 | E820-K824 VanDerWaalsContact O-CB 3.26Å; E820-K824 WeakPolarHBondContact O-CB 3.48Å; E820-K824 PolarHBondContact O-N 3.26Å; Y821-K824 PolarHBondContact O-N 2.94Å; L822-K824 VanDerWaalsContact C-N 3.33Å; L822-K824 PolarHBondContact O-N 3.4Å; K824-R828 PolarHBondContact O-N 3.47Å; K824-R828 VanDerWaalsContact O-N 3.15Å |
| 825 | Q | 78.7 | Confident | 68.5 | Low | 80 Ų | 80 | 131.1 Ų | 131.1 | 37% | 0.374 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -68.5 | -38.8 | 170.3 | -70.1 | -70.7 | 2.5 | 0 | 0 | 112.3 | Y821 L822 R828 R829 | Y821-Q825 HydrophobicContact CD1-CG 4.32Å; Y821-Q825 HydrophobicContact CE1-CG 3.94Å; Y821-Q825 VanDerWaalsContact O-CG 3.32Å; Y821-Q825 WeakPolarHBondContact O-CG 3.33Å; Y821-Q825 PolarHBondContact O-N 3.37Å; Y821-Q825 PolarHBondContact OH-NE2 3.18Å; Y821-Q825 VanDerWaalsContact OH-NE2 3.1Å; L822-Q825 PolarHBondContact O-N 2.91Å; Q825-R828 PolarHBondContact O-N 3.08Å; Q825-R829 PolarHBondContact O-N 3.25Å |
| 826 | L | 76.4 | Confident | 67.2 | Low | 106 Ų | 106 | 131.5 Ų | 131.5 | 56% | 0.555 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -65.3 | -44.9 | 175.5 | -76.3 | 163.7 | 0 | 0 | 0 | 112 | L822 L823 R828 R829 K830 | L822-L826 WeakPolarHBondContact O-CB 3.45Å; L822-L826 WeakPolarHBondContact O-CG 3.42Å; L822-L826 PolarHBondContact O-N 3.08Å; L823-L826 PolarHBondContact O-N 3.08Å; L826-R828 PolarHBondContact O-N 3.37Å; L826-R829 PolarHBondContact O-N 3Å; L826-R829 VanDerWaalsContact O-N 3.08Å; L826-K830 PolarHBondContact O-N 2.81Å |
| 827 | R | 75.5 | Confident | 65.6 | Low | 166 Ų | 166 | 132.5 Ų | 132.5 | 63% | 0.626 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -59.4 | -44.8 | 174.2 | -74.4 | 178.3 | -177.7 | 148 | -0.4 | 111.8 | L823 R829 K830 N831 | L823-R827 WeakPolarHBondContact O-CG 3.28Å; L823-R827 PolarHBondContact O-N 3.23Å; R827-R829 PolarHBondContact O-N 2.73Å; R827-R829 VanDerWaalsContact O-N 3.14Å; R827-K830 PolarHBondContact O-N 3.5Å; R827-N831 PolarHBondContact O-N 3.16Å; R827-N831 PolarHBondContact O-OD1 3.19Å |
| 828 | R | 72.2 | Confident | 63.9 | Low | 194 Ų | 194 | 132.3 Ų | 132.3 | 73% | 0.732 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -59.9 | -22.7 | 175 | -78.7 | -167.3 | -179.7 | -78.6 | 4.5 | 114.1 | K824 Q825 L826 | K824-R828 PolarHBondContact O-N 3.47Å; K824-R828 VanDerWaalsContact O-N 3.15Å; Q825-R828 PolarHBondContact O-N 3.08Å; L826-R828 PolarHBondContact O-N 3.37Å |
| 829 | R | 63.2 | Low | 62.2 | Low | 209 Ų | 209 | 140.5 Ų | 140.5 | 79% | 0.789 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -89.7 | -11 | 174.4 | -70.3 | -178.3 | -179.8 | -169.9 | -1.4 | 114.4 | Q825 L826 R827 | Q825-R829 PolarHBondContact O-N 3.25Å; L826-R829 PolarHBondContact O-N 3Å; L826-R829 VanDerWaalsContact O-N 3.08Å; R827-R829 PolarHBondContact O-N 2.73Å; R827-R829 VanDerWaalsContact O-N 3.14Å |
| 830 | K | 58.6 | Low | 60 | Low | 180 Ų | 180 | 146.4 Ų | 146.4 | 78% | 0.783 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -98.5 | -17.4 | -177.2 | -142.2 | -164 | 177.6 | -158 | 0 | 114.1 | L826 R827 | L826-K830 PolarHBondContact O-N 2.81Å; R827-K830 PolarHBondContact O-N 3.5Å |
| 831 | N | 54.1 | Low | 58 | Low | 143 Ų | 143 | 144.4 Ų | 144.4 | 77% | 0.765 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -102.9 | 53.4 | -176.8 | -64 | 39 | 0 | 0 | 0 | 111.5 | R827 | R827-N831 PolarHBondContact O-N 3.16Å; R827-N831 PolarHBondContact O-OD1 3.19Å |
| 832 | S | 50.1 | Low | 56 | Low | 100 Ų | 100 | 149.2 Ų | 149.2 | 70% | 0.699 | 72% | 0.72 | S | S | * | * | | | trans | -149 | 29.2 | -168.9 | -171 | 0 | 0 | 0 | 0 | 113.9 | | |
| 833 | L | 41.9 | Very low | 53.7 | Low | 165 Ų | 165 | 152.6 Ų | 152.6 | 86% | 0.864 | 73% | 0.733 | S | S | * | * | | | trans | -139.5 | 14.3 | -167 | -162.7 | 53.6 | 0 | 0 | 0 | 115.1 | | |
| 834 | E | 43.4 | Very low | 51.6 | Low | 196 Ų | 196 | 155.4 Ų | 155.4 | 92% | 0.916 | 75% | 0.753 | S | S | * | * | | | trans | -136.1 | 98.1 | -179.2 | -75 | 171.4 | 127.4 | 0 | 0 | 111.6 | | |
| 835 | Y | 36.6 | Very low | 49.5 | Very low | 222 Ų | 222 | 156.7 Ų | 156.7 | 87% | 0.871 | 76% | 0.761 | S | S | * | * | | | trans | -167.3 | 138.3 | 141.5 | -152.4 | -93.9 | 0 | 0 | 0 | 110 | | |
| 836 | D | 51 | Low | 47.8 | Very low | 128 Ų | 128 | 158.1 Ų | 158.1 | 68% | 0.684 | 78% | 0.778 | S | S | * | * | | | trans | -126.4 | 125.7 | -176.7 | -172.5 | 8.8 | 0 | 0 | 0 | 110.8 | | |
| 837 | P | 41.2 | Very low | 45.9 | Very low | 114 Ų | 114 | 157.5 Ų | 157.5 | 74% | 0.74 | 79% | 0.788 | S | S | * | * | | | trans | -118.4 | 94.7 | 178.6 | 37.2 | -23.2 | 0 | 0 | 0 | 113 | | |
| 838 | S | 36.7 | Very low | 44.1 | Very low | 98 Ų | 98 | 154.8 Ų | 154.8 | 69% | 0.685 | 80% | 0.801 | S | S | * | * | | | trans | -144.4 | 80.7 | 175 | 60.8 | 0 | 0 | 0 | 0 | 113.9 | | |
| 839 | Q | 39 | Very low | 42.6 | Very low | 205 Ų | 205 | 149.7 Ų | 149.7 | 96% | 0.958 | 80% | 0.801 | S | S | * | * | | | trans | -154.2 | 124.3 | 161.5 | -155.4 | 169.6 | 79.1 | 0 | 0 | 109.5 | | |
| 840 | E | 35.1 | Very low | 41.5 | Very low | 185 Ų | 185 | 144.6 Ų | 144.6 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | | | trans | -152.8 | 156.1 | -174.9 | -159 | 178.6 | -120.8 | 0 | 0 | 110.1 | | |
| 841 | V | 38.6 | Very low | 40.6 | Very low | 119 Ų | 119 | 140 Ų | 140 | 72% | 0.721 | 78% | 0.778 | S | S | * | * | | | trans | 72.6 | 105.7 | 170.2 | -167.6 | 0 | 0 | 0 | 0 | 118.3 | | |
| 842 | E | 37.6 | Very low | 39.6 | Very low | 196 Ų | 196 | 136.5 Ų | 136.5 | 92% | 0.916 | 77% | 0.765 | S | S | * | * | | | | -153.2 | 164.7 | 113 | -135.9 | -179.5 | -175.8 | 0 | 0 | 111 | | |
| 843 | H | 32.6 | Very low | 39.2 | Very low | 172 Ų | 172 | 136.6 Ų | 136.6 | 80% | 0.796 | 76% | 0.763 | S | S | * | * | | | trans | -154.3 | 116.6 | -149.2 | -151.2 | -66.9 | 0 | 0 | 0 | 114.9 | | |
| 844 | V | 40.3 | Very low | 38.8 | Very low | 140 Ų | 140 | 133.8 Ų | 133.8 | 85% | 0.848 | 75% | 0.749 | S | S | * | * | | | trans | -148.7 | 100.3 | 171.5 | -179 | 0 | 0 | 0 | 0 | 107.8 | | |
| 845 | E | 36.9 | Very low | 38.4 | Very low | 172 Ų | 172 | 134.3 Ų | 134.3 | 80% | 0.804 | 74% | 0.742 | S | S | * | * | | | | 78.1 | 144.5 | 96.7 | -93.2 | -118 | 109.4 | 0 | 0 | 115.8 | | |
| 846 | P | 42.3 | Very low | 38.4 | Very low | 110 Ų | 110 | 133.8 Ų | 133.8 | 71% | 0.714 | 74% | 0.739 | S | S | * | * | | | | -138 | 175.8 | -127.4 | 42.8 | -26.4 | 0 | 0 | 0 | 116.7 | | |
| 847 | A | 36.7 | Very low | 37.4 | Very low | 94 Ų | 94 | 132.1 Ų | 132.1 | 78% | 0.777 | 74% | 0.737 | S | S | * | * | | | trans | -153.4 | 122.6 | 160.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 848 | A | 38.2 | Very low | 36.9 | Very low | 109 Ų | 109 | 132.1 Ų | 132.1 | 90% | 0.901 | 74% | 0.739 | S | S | * | * | S | Bend | trans | 59.5 | 139.1 | 169.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 849 | A | 40.9 | Very low | 36.6 | Very low | 87 Ų | 87 | 132.3 Ų | 132.3 | 72% | 0.719 | 74% | 0.741 | S | S | * | * | | | cis | -143.2 | 159.8 | -11.9 | 0 | 0 | 0 | 0 | 0 | 106.9 | | |
| 850 | P | 38.9 | Very low | 36.1 | Very low | 102 Ų | 102 | 131.5 Ų | 131.5 | 66% | 0.662 | 73% | 0.734 | S | S | * | * | | | trans | -69 | 160.7 | -167.6 | 33.2 | -37.1 | 0 | 0 | 0 | 110.4 | | |
| 851 | L | 39.9 | Very low | 36.1 | Very low | 82 Ų | 82 | 131 Ų | 131 | 43% | 0.429 | 73% | 0.732 | S | S | . | * | | | | -157.6 | 149.5 | 115.2 | -67.2 | 109.7 | 0 | 0 | 0 | 107.5 | Y916 D917 | L851-Y916 HydrophobicContact CB-CD1 4.4Å; L851-Y916 HydrophobicContact CB-CD2 4.19Å; L851-Y916 HydrophobicContact CB-CG 3.76Å; L851-Y916 HydrophobicContact CD1-CD2 4.25Å; L851-Y916 WeakPolarHBondContact O-CD1 3.22Å; L851-D917 VanDerWaalsContact C-OD1 3.27Å; L851-D917 WeakPolarHBondContact CA-OD1 3.39Å; L851-D917 HydrophobicContact CB-CB 3.71Å; L851-D917 VanDerWaalsContact CB-CG 3.41Å; L851-D917 HydrophobicContact CD2-CB 3.64Å; L851-D917 WeakPolarHBondContact CD2-OD2 3.48Å; L851-D917 HydrophobicContact CG-CB 4.11Å |
| 852 | S | 33.3 | Very low | 35.8 | Very low | 71 Ų | 71 | 133.3 Ų | 133.3 | 50% | 0.497 | 74% | 0.735 | S | S | . | * | | | trans | -162.6 | 139 | 172.5 | -86.5 | 0 | 0 | 0 | 0 | 116.4 | D917 N918 E919 | S852-D917 VanDerWaalsContact C-N 3.34Å; S852-D917 VanDerWaalsContact N-CA 3.28Å; S852-D917 VanDerWaalsContact N-N 3.11Å; S852-D917 PolarHBondContact N-OD1 2.86Å; S852-D917 CarbonylContact O-C 3.3Å; S852-D917 WeakPolarHBondContact O-CA 3.4Å; S852-N918 CarbonylContact O-C 3.01Å; S852-N918 VanDerWaalsContact O-C 3.3Å; S852-N918 WeakPolarHBondContact O-CA 3.38Å; S852-N918 PolarHBondContact O-N 3.42Å; S852-E919 PolarHBondContact O-N 3.38Å |
| 853 | P | 42.1 | Very low | 35.6 | Very low | 101 Ų | 101 | 131.8 Ų | 131.8 | 66% | 0.656 | 73% | 0.728 | S | S | * | * | | | trans | -70.2 | 172.5 | -137.9 | 37.5 | -41.1 | 0 | 0 | 0 | 117.1 | D917 | P853-D917 CarbonylContact C-O 3.52Å; P853-D917 VanDerWaalsContact C-O 3.32Å; P853-D917 VanDerWaalsContact CA-C 3.43Å; P853-D917 WeakPolarHBondContact CA-O 3.37Å |
| 854 | L | 33 | Very low | 35.6 | Very low | 107 Ų | 107 | 132.2 Ų | 132.2 | 56% | 0.56 | 73% | 0.731 | S | S | * | * | | | trans | 160.2 | 146 | 141.7 | 177.7 | 65.5 | 0 | 0 | 0 | 115.7 | D917 | L854-D917 PolarHBondContact N-O 3.41Š|
| 855 | R | 36.3 | Very low | 35.1 | Very low | 206 Ų | 206 | 129.1 Ų | 129.1 | 78% | 0.777 | 73% | 0.726 | S | S | * | * | | | trans | 60.5 | 148.2 | 164.9 | -78 | 161.4 | -178.5 | 177 | -0.4 | 116.4 | | |
| 856 | R | 35.1 | Very low | 34.9 | Very low | 212 Ų | 212 | 129.6 Ų | 129.6 | 80% | 0.8 | 73% | 0.729 | S | S | * | * | | | cis | -146.3 | 144.8 | 39.1 | -97.8 | 107.7 | 177.4 | -69.3 | 1.7 | 109.9 | | |
| 857 | S | 29.9 | Very low | 34.9 | Very low | 93 Ų | 93 | 129.2 Ų | 129.2 | 65% | 0.65 | 73% | 0.726 | S | S | * | * | | | | 57 | 128.4 | 79.8 | 100.5 | 0 | 0 | 0 | 0 | 113.2 | | |
| 858 | S | 31.1 | Very low | 35 | Very low | 113 Ų | 113 | 130.3 Ų | 130.3 | 79% | 0.79 | 73% | 0.726 | S | S | * | * | | | | 65.7 | 142.1 | 52.1 | -166 | 0 | 0 | 0 | 0 | 113.6 | | |
| 859 | S | 30.4 | Very low | 34.8 | Very low | 103 Ų | 103 | 130.7 Ų | 130.7 | 72% | 0.72 | 72% | 0.716 | S | S | * | * | | | trans | 68.8 | 128.4 | -167.9 | -140 | 0 | 0 | 0 | 0 | 114.3 | | |
| 860 | F | 28.2 | Very low | 34.4 | Very low | 187 Ų | 187 | 135.9 Ų | 135.9 | 82% | 0.82 | 72% | 0.717 | S | S | * | * | | | cis | 77.2 | 90.9 | 34.7 | -131.4 | -74.4 | 0 | 0 | 0 | 113.4 | | |
| 861 | Q | 36.7 | Very low | 34.6 | Very low | 176 Ų | 176 | 139.2 Ų | 139.2 | 82% | 0.822 | 72% | 0.724 | S | S | * | * | | | trans | 173.4 | 137.2 | 151.2 | -94.6 | 156.9 | 4.5 | 0 | 0 | 106.7 | | |
| 862 | Q | 31.6 | Very low | 34.8 | Very low | 166 Ų | 166 | 139.5 Ų | 139.5 | 78% | 0.776 | 74% | 0.738 | S | S | * | * | | | cis | 77.6 | 81.1 | 31.6 | -164.8 | -168.5 | 0.6 | 0 | 0 | 114.6 | | |
| 863 | Q | 33 | Very low | 35.3 | Very low | 165 Ų | 165 | 148 Ų | 148 | 77% | 0.771 | 76% | 0.759 | S | S | * | * | | | trans | -170 | 136.5 | 139.8 | -103.4 | 163.6 | 18.8 | 0 | 0 | 108.8 | | |
| 864 | Q | 33.3 | Very low | 35.4 | Very low | 181 Ų | 181 | 148 Ų | 148 | 85% | 0.846 | 76% | 0.76 | S | S | * | * | | | | 54.4 | 123.6 | 95.9 | -60 | 178.2 | -10.9 | 0 | 0 | 113.5 | | |
| 865 | G | 30.2 | Very low | 35.9 | Very low | 74 Ų | 74 | 148.4 Ų | 148.4 | 76% | 0.763 | 76% | 0.762 | S | S | * | * | | | trans | -122 | -180 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 866 | Q | 32.3 | Very low | 36 | Very low | 182 Ų | 182 | 145.9 Ų | 145.9 | 85% | 0.85 | 76% | 0.757 | S | S | * | * | | | trans | -149.9 | 179.2 | 172.8 | -94.4 | -50.1 | -11.2 | 0 | 0 | 109.4 | | |
| 867 | P | 42.6 | Very low | 36.2 | Very low | 102 Ų | 102 | 142.6 Ų | 142.6 | 66% | 0.662 | 75% | 0.751 | S | S | * | * | | | trans | -105.4 | 177 | -141.6 | 44.6 | -34 | 0 | 0 | 0 | 113.2 | | |
| 868 | P | 37.7 | Very low | 36.7 | Very low | 118 Ų | 118 | 144.2 Ų | 144.2 | 77% | 0.766 | 75% | 0.752 | S | S | * | * | | | | -143.3 | 171.6 | 90.2 | 35.9 | -18.6 | 0 | 0 | 0 | 115.9 | | |
| 869 | V | 33.4 | Very low | 36.8 | Very low | 116 Ų | 116 | 146.1 Ų | 146.1 | 70% | 0.703 | 75% | 0.753 | S | S | * | * | | | trans | -23.5 | 152.1 | 168 | -74.6 | 0 | 0 | 0 | 0 | 118.1 | | |
| 870 | R | 34 | Very low | 37.1 | Very low | 196 Ų | 196 | 151 Ų | 151 | 74% | 0.74 | 76% | 0.757 | S | S | * | * | | | cis | -164.8 | 146.7 | 17.1 | -134.6 | 173.3 | -101.2 | -149.4 | -5.6 | 111.3 | | |
| 871 | Q | 42.3 | Very low | 37.8 | Very low | 173 Ų | 173 | 147.1 Ų | 147.1 | 81% | 0.808 | 75% | 0.749 | S | S | * | * | | | trans | 60.2 | 142.8 | 153.8 | -71.6 | 153.1 | -35.1 | 0 | 0 | 119.3 | | |
| 872 | A | 44.1 | Very low | 38.3 | Very low | 88 Ų | 88 | 144 Ų | 144 | 73% | 0.727 | 74% | 0.744 | S | S | * | * | | | cis | -161 | 132.7 | -11.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 873 | R | 44.8 | Very low | 39 | Very low | 249 Ų | 249 | 141.8 Ų | 141.8 | 94% | 0.94 | 74% | 0.744 | S | S | * | * | | | trans | 62.2 | 162.9 | 145.4 | -82.3 | -163.9 | 159.2 | -179.9 | -5.8 | 121.3 | | |
| 874 | P | 42.9 | Very low | 38.8 | Very low | 102 Ų | 102 | 138.5 Ų | 138.5 | 66% | 0.662 | 75% | 0.745 | S | S | * | * | | | trans | -115 | -166.1 | -149 | 44.5 | -36.1 | 0 | 0 | 0 | 114.9 | | |
| 875 | N | 44.2 | Very low | 38.9 | Very low | 114 Ų | 114 | 134.1 Ų | 134.1 | 61% | 0.61 | 74% | 0.74 | S | S | * | * | | | trans | 171.5 | 63.5 | 169.2 | -48.7 | -10.4 | 0 | 0 | 0 | 116.6 | | |
| 876 | F | 37.2 | Very low | 39.3 | Very low | 153 Ų | 153 | 141.5 Ų | 141.5 | 67% | 0.671 | 74% | 0.744 | S | S | * | * | | | trans | 40 | 130.5 | 144.7 | -78 | -34.1 | 0 | 0 | 0 | 124.8 | | |
| 877 | Q | 40.6 | Very low | 39.3 | Very low | 143 Ų | 143 | 140.8 Ų | 140.8 | 67% | 0.668 | 74% | 0.741 | S | S | * | * | | | | 86.7 | 149.9 | 127.3 | -71.1 | 168.4 | 24.8 | 0 | 0 | 122.3 | | |
| 878 | N | 39.1 | Very low | 39.1 | Very low | 127 Ų | 127 | 140.8 Ų | 140.8 | 68% | 0.679 | 75% | 0.75 | S | S | * | * | | | trans | 71.1 | 114.6 | 165.1 | -56.4 | -38 | 0 | 0 | 0 | 116.6 | | |
| 879 | L | 34.7 | Very low | 39.1 | Very low | 154 Ų | 154 | 143.3 Ų | 143.3 | 81% | 0.806 | 75% | 0.751 | S | S | * | * | | | | 90.1 | 145.4 | 57.2 | -96.1 | 69.6 | 0 | 0 | 0 | 113.3 | | |
| 880 | Y | 37.1 | Very low | 39 | Very low | 205 Ų | 205 | 141.8 Ų | 141.8 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | | | trans | 82 | 93.7 | 162.4 | -122.2 | -100.8 | 0 | 0 | 0 | 119.9 | | |
| 881 | T | 42.4 | Very low | 38.9 | Very low | 105 Ų | 105 | 140.4 Ų | 140.4 | 64% | 0.644 | 76% | 0.757 | S | S | * | * | | | | 44.2 | 130.2 | 112 | -42.8 | 0 | 0 | 0 | 0 | 120.2 | | |
| 882 | P | 47.2 | Very low | 38.3 | Very low | 111 Ų | 111 | 136.6 Ų | 136.6 | 72% | 0.721 | 75% | 0.749 | S | S | * | * | | | trans | -83.8 | -165.4 | 179.9 | 43 | -42.7 | 0 | 0 | 0 | 111.5 | | |
| 883 | P | 45.3 | Very low | 37.6 | Very low | 119 Ų | 119 | 137.8 Ų | 137.8 | 77% | 0.773 | 75% | 0.748 | S | S | * | * | | | cis | -142.7 | -155.9 | 8.6 | 45.1 | -24 | 0 | 0 | 0 | 116 | | |
| 884 | A | 30.3 | Very low | 36.9 | Very low | 97 Ų | 97 | 131.5 Ų | 131.5 | 80% | 0.802 | 74% | 0.736 | S | S | * | * | | | trans | 81.1 | 110 | 158.8 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 885 | A | 34.6 | Very low | 36.3 | Very low | 89 Ų | 89 | 134.3 Ų | 134.3 | 74% | 0.736 | 74% | 0.741 | S | S | * | * | | | trans | -160.6 | 129.9 | 146 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 886 | R | 38.2 | Very low | 35.9 | Very low | 228 Ų | 228 | 137 Ų | 137 | 86% | 0.86 | 75% | 0.749 | S | S | * | * | | | trans | 60.6 | 106.3 | 135.3 | -64.5 | 170.9 | -170.8 | -163.9 | -0.1 | 118.4 | | |
| 887 | H | 33.5 | Very low | 35.6 | Very low | 167 Ų | 167 | 135.8 Ų | 135.8 | 77% | 0.773 | 75% | 0.746 | S | S | * | * | | | | 81.1 | 106.2 | 86.6 | -92.3 | -94 | 0 | 0 | 0 | 114.3 | | |
| 888 | A | 38.6 | Very low | 35.5 | Very low | 103 Ų | 103 | 137.9 Ų | 137.9 | 85% | 0.851 | 76% | 0.755 | S | S | * | * | | | trans | -142.5 | 148.3 | 146.7 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 889 | H | 35.9 | Very low | 35.3 | Very low | 171 Ų | 171 | 138 Ų | 138 | 79% | 0.792 | 75% | 0.752 | S | S | * | * | | | trans | -86.3 | 163 | -167.7 | -95.8 | -115.5 | 0 | 0 | 0 | 114.7 | | |
| 890 | A | 31.2 | Very low | 35.1 | Very low | 83 Ų | 83 | 136.4 Ų | 136.4 | 69% | 0.686 | 74% | 0.744 | S | S | * | * | | | trans | -66.4 | -177.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 891 | L | 32.7 | Very low | 34.8 | Very low | 168 Ų | 168 | 134.3 Ų | 134.3 | 88% | 0.88 | 74% | 0.739 | S | S | * | * | | | trans | 75.7 | 123.9 | 175.7 | -52.7 | 169.9 | 0 | 0 | 0 | 113.6 | | |
| 892 | S | 29.1 | Very low | 34.2 | Very low | 92 Ų | 92 | 139 Ų | 139 | 64% | 0.643 | 75% | 0.75 | S | S | * | * | | | cis | 167.7 | -169.2 | 12.8 | 53.6 | 0 | 0 | 0 | 0 | 105.4 | | |
| 893 | T | 30.3 | Very low | 33.3 | Very low | 114 Ų | 114 | 139.3 Ų | 139.3 | 70% | 0.699 | 76% | 0.755 | S | S | * | * | | | trans | 63.6 | 87.8 | 148.3 | -49.6 | 0 | 0 | 0 | 0 | 116.1 | | |
| 894 | V | 30.1 | Very low | 32.4 | Very low | 116 Ų | 116 | 137.5 Ų | 137.5 | 70% | 0.703 | 75% | 0.75 | S | S | * | * | | | | 79 | 136.5 | 75.9 | 168.5 | 0 | 0 | 0 | 0 | 112.7 | | |
| 895 | H | 30.5 | Very low | 32.4 | Very low | 162 Ų | 162 | 139 Ų | 139 | 75% | 0.75 | 75% | 0.754 | S | S | * | * | | | trans | 68 | 150.9 | -176.8 | -76.5 | 45.5 | 0 | 0 | 0 | 113.5 | | |
| 896 | Q | 35 | Very low | 32.2 | Very low | 169 Ų | 169 | 139.9 Ų | 139.9 | 79% | 0.79 | 76% | 0.756 | S | S | * | * | | | cis | -118.1 | 135.4 | 0.6 | -99.8 | 156.4 | 57.1 | 0 | 0 | 109.4 | | |
| 897 | Q | 31.3 | Very low | 31.8 | Very low | 128 Ų | 128 | 135.8 Ų | 135.8 | 60% | 0.598 | 75% | 0.751 | S | S | * | * | | | | 78.6 | 64.8 | 74.1 | -157.7 | -161.5 | 97 | 0 | 0 | 114.9 | Q899 | Q897-Q899 HydrophobicContact CG-CG 4.23Å; Q897-Q899 PolarHBondContact O-NE2 2.82Å |
| 898 | Q | 39 | Very low | 31.7 | Very low | 187 Ų | 187 | 134.9 Ų | 134.9 | 87% | 0.874 | 75% | 0.751 | S | S | * | * | | | trans | -106 | 119.1 | 139.5 | -64.7 | -172.4 | 16.1 | 0 | 0 | 106.4 | | |
| 899 | Q | 34.8 | Very low | 31.2 | Very low | 130 Ų | 130 | 138.2 Ų | 138.2 | 61% | 0.607 | 75% | 0.747 | S | S | * | * | | | cis | 72.5 | 138.6 | 45.4 | -56.4 | -170.4 | 51.5 | 0 | 0 | 113 | Q897 | Q897-Q899 HydrophobicContact CG-CG 4.23Å; Q897-Q899 PolarHBondContact O-NE2 2.82Å |
| 900 | L | 30.6 | Very low | 31.3 | Very low | 120 Ų | 120 | 135.9 Ų | 135.9 | 63% | 0.628 | 74% | 0.737 | S | S | * | * | | | cis | -157.8 | -178.9 | -15 | -111.1 | 178.7 | 0 | 0 | 0 | 109.3 | | |
| 901 | K | 30.9 | Very low | 31.4 | Very low | 162 Ų | 162 | 140.9 Ų | 140.9 | 70% | 0.704 | 75% | 0.746 | S | S | * | * | | | trans | 8.3 | 123 | 150.4 | -67.1 | 154.8 | -173.1 | 174.4 | 0 | 117.2 | | |
| 902 | K | 29 | Very low | 31.6 | Very low | 203 Ų | 203 | 136.4 Ų | 136.4 | 88% | 0.883 | 73% | 0.733 | S | S | * | * | | | | 52.4 | 86.8 | 86.6 | -62.8 | -179.6 | 177 | -175.5 | 0 | 114.8 | | |
| 903 | S | 27.7 | Very low | 32 | Very low | 117 Ų | 117 | 138.7 Ų | 138.7 | 82% | 0.818 | 73% | 0.728 | S | S | * | * | | | trans | -162.7 | 145.2 | 148.5 | -82.5 | 0 | 0 | 0 | 0 | 106.9 | | |
| 904 | A | 28 | Very low | 32.3 | Very low | 82 Ų | 82 | 137.2 Ų | 137.2 | 68% | 0.678 | 72% | 0.722 | S | S | * | * | | | cis | 92.5 | 104.7 | 23 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 905 | S | 29.3 | Very low | 33 | Very low | 127 Ų | 127 | 137.5 Ų | 137.5 | 89% | 0.888 | 72% | 0.72 | S | S | * | * | | | trans | 63.4 | 168 | -179.9 | 77.2 | 0 | 0 | 0 | 0 | 115 | | |
| 906 | S | 30.1 | Very low | 33.4 | Very low | 109 Ų | 109 | 137.3 Ų | 137.3 | 76% | 0.762 | 71% | 0.714 | S | S | * | * | | | cis | -143.1 | -161.1 | 8.5 | 61 | 0 | 0 | 0 | 0 | 112.5 | | |
| 907 | N | 31.1 | Very low | 34 | Very low | 141 Ų | 141 | 131.5 Ų | 131.5 | 75% | 0.754 | 69% | 0.688 | S | S | * | * | | | trans | -104.1 | 168.3 | -170.6 | -54.8 | -43.4 | 0 | 0 | 0 | 113.7 | | |
| 908 | N | 30.3 | Very low | 34.6 | Very low | 148 Ų | 148 | 129.1 Ų | 129.1 | 79% | 0.791 | 68% | 0.68 | S | S | * | * | | | trans | 66.3 | 160.7 | 150.3 | -77.9 | 11.4 | 0 | 0 | 0 | 117.1 | | |
| 909 | F | 29.1 | Very low | 35.2 | Very low | 173 Ų | 173 | 126.9 Ų | 126.9 | 76% | 0.759 | 67% | 0.669 | S | S | * | * | | | cis | -145.5 | -175.9 | -28.2 | -151.5 | -132.9 | 0 | 0 | 0 | 103.7 | | |
| 910 | E | 36.2 | Very low | 36 | Very low | 123 Ų | 123 | 126.4 Ų | 126.4 | 58% | 0.575 | 67% | 0.67 | S | S | * | * | | | cis | -173.9 | 166.9 | 37.6 | -175.8 | 142.3 | -131.1 | 0 | 0 | 108.2 | | |
| 911 | Q | 34.9 | Very low | 37.2 | Very low | 188 Ų | 188 | 127.9 Ų | 127.9 | 88% | 0.879 | 67% | 0.674 | S | S | * | * | | | trans | -114.1 | 138.7 | 167.2 | -64.6 | 177.1 | -64.2 | 0 | 0 | 110.1 | | |
| 912 | A | 36.7 | Very low | 37.9 | Very low | 73 Ų | 73 | 128.5 Ų | 128.5 | 60% | 0.603 | 67% | 0.673 | S | S | * | * | | | trans | -174 | 135.4 | 145.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 913 | Y | 37 | Very low | 38.7 | Very low | 141 Ų | 141 | 128.4 Ų | 128.4 | 55% | 0.553 | 67% | 0.668 | S | S | * | * | | | trans | -165.2 | 94.3 | 149.3 | -95.6 | -61.1 | 0 | 0 | 0 | 110 | V509 L510 A511 | V509-Y913 HydrophobicContact CG1-CE1 4.43Å; L510-Y913 WeakPolarHBondContact CA-OH 3.47Å; L510-Y913 HydrophobicContact CD2-CE1 3.98Å; L510-Y913 WeakPolarHBondContact CD2-OH 3.1Å; A511-Y913 PolarHBondContact N-OH 3.35Å |
| 914 | S | 37 | Very low | 39.5 | Very low | 82 Ų | 82 | 129.8 Ų | 129.8 | 57% | 0.573 | 67% | 0.665 | S | S | * | * | | | | 46 | 123.1 | 127.9 | 63.1 | 0 | 0 | 0 | 0 | 121.6 | | |
| 915 | D | 44.5 | Very low | 40.6 | Very low | 123 Ų | 123 | 131.9 Ų | 131.9 | 66% | 0.658 | 67% | 0.665 | S | S | * | * | | | | 89.5 | 86.7 | 126.8 | -55 | -1.1 | 0 | 0 | 0 | 121.9 | | |
| 916 | Y | 38.9 | Very low | 41.5 | Very low | 158 Ų | 158 | 131.6 Ų | 131.6 | 62% | 0.62 | 65% | 0.653 | S | S | * | * | | | | 58.7 | 165.4 | 119.7 | -50.4 | -78.3 | 0 | 0 | 0 | 124.7 | L851 | L851-Y916 HydrophobicContact CB-CD1 4.4Å; L851-Y916 HydrophobicContact CB-CD2 4.19Å; L851-Y916 HydrophobicContact CB-CG 3.76Å; L851-Y916 HydrophobicContact CD1-CD2 4.25Å; L851-Y916 WeakPolarHBondContact O-CD1 3.22Å |
| 917 | D | 47.2 | Very low | 42.5 | Very low | 46 Ų | 46 | 134 Ų | 134 | 25% | 0.246 | 65% | 0.653 | C | S | . | * | | | trans | 77.3 | 149.1 | 171.9 | -104.9 | -1.4 | 0 | 0 | 0 | 122.8 | L851 S852 P853 L854 | L851-D917 VanDerWaalsContact C-OD1 3.27Å; L851-D917 WeakPolarHBondContact CA-OD1 3.39Å; L851-D917 HydrophobicContact CB-CB 3.71Å; L851-D917 VanDerWaalsContact CB-CG 3.41Å; L851-D917 HydrophobicContact CD2-CB 3.64Å; L851-D917 WeakPolarHBondContact CD2-OD2 3.48Å; L851-D917 HydrophobicContact CG-CB 4.11Å; S852-D917 VanDerWaalsContact C-N 3.34Å; S852-D917 VanDerWaalsContact N-CA 3.28Å; S852-D917 VanDerWaalsContact N-N 3.11Å; S852-D917 PolarHBondContact N-OD1 2.86Å; S852-D917 CarbonylContact O-C 3.3Å; S852-D917 WeakPolarHBondContact O-CA 3.4Å; P853-D917 CarbonylContact C-O 3.52Å; P853-D917 VanDerWaalsContact C-O 3.32Å; P853-D917 VanDerWaalsContact CA-C 3.43Å; P853-D917 WeakPolarHBondContact CA-O 3.37Å; L854-D917 PolarHBondContact N-O 3.41Å |
| 918 | N | 43.5 | Very low | 43.6 | Very low | 79 Ų | 79 | 133.8 Ų | 133.8 | 42% | 0.422 | 65% | 0.652 | S | S | . | * | | | cis | -145.3 | 147.2 | -0.9 | -151.1 | -35.1 | 0 | 0 | 0 | 114.2 | S852 | S852-N918 CarbonylContact O-C 3.01Å; S852-N918 VanDerWaalsContact O-C 3.3Å; S852-N918 WeakPolarHBondContact O-CA 3.38Å; S852-N918 PolarHBondContact O-N 3.42Å |
| 919 | E | 52.3 | Low | 44.6 | Very low | 140 Ų | 140 | 135 Ų | 135 | 65% | 0.654 | 65% | 0.653 | S | S | * | * | | | trans | 18.8 | 161.4 | 156.2 | -80.7 | -172.9 | 144.4 | 0 | 0 | 126.4 | S852 | S852-E919 PolarHBondContact O-N 3.38Š|
| 920 | L | 52.5 | Low | 45.7 | Very low | 120 Ų | 120 | 135.2 Ų | 135.2 | 63% | 0.628 | 66% | 0.658 | S | S | * | * | | | trans | 72.5 | 120.9 | 141.7 | -109.2 | 67.4 | 0 | 0 | 0 | 120.9 | | |
| 921 | Q | 54.2 | Low | 46.4 | Very low | 150 Ų | 150 | 132.7 Ų | 132.7 | 70% | 0.701 | 67% | 0.665 | S | S | * | * | | | | 162.8 | 117.8 | 102.2 | -84.6 | -128 | -16 | 0 | 0 | 115.1 | | |
| 922 | Y | 45.9 | Very low | 46.9 | Very low | 175 Ų | 175 | 129.9 Ų | 129.9 | 69% | 0.686 | 66% | 0.661 | S | S | * | * | | | trans | 56.5 | 120 | 153.8 | -62.5 | -94.6 | 0 | 0 | 0 | 119.3 | | |
| 923 | Y | 45.6 | Very low | 47.3 | Very low | 201 Ų | 201 | 132.9 Ų | 132.9 | 79% | 0.788 | 67% | 0.672 | S | S | * | * | | | | 65.5 | 129.4 | 70.2 | -86.3 | -75.5 | 0 | 0 | 0 | 114.6 | | |
| 924 | I | 45 | Very low | 47.5 | Very low | 146 Ų | 146 | 129.9 Ų | 129.9 | 75% | 0.749 | 68% | 0.684 | S | S | * | * | | | | 167.3 | 124.8 | 125 | -90.5 | 167.6 | 0 | 0 | 0 | 109.6 | | |
| 925 | N | 50.7 | Low | 47.6 | Very low | 126 Ų | 126 | 129.9 Ų | 129.9 | 67% | 0.674 | 69% | 0.689 | S | S | * | * | | | trans | 69.5 | 112.7 | 169.1 | -66.5 | 39.6 | 0 | 0 | 0 | 115.2 | | |
| 926 | D | 49.6 | Very low | 47.4 | Very low | 121 Ų | 121 | 132.9 Ų | 132.9 | 65% | 0.647 | 69% | 0.692 | S | S | * | * | | | cis | 65.9 | 134.3 | 37.5 | -29.2 | -49.6 | 0 | 0 | 0 | 110.1 | | |
| 927 | E | 49.9 | Very low | 47.5 | Very low | 159 Ų | 159 | 135 Ų | 135 | 74% | 0.743 | 70% | 0.701 | S | S | * | * | | | cis | -145 | 163.6 | 30.8 | -54.4 | -98.9 | 58.4 | 0 | 0 | 111.5 | | |
| 928 | D | 55.7 | Low | 47.3 | Very low | 138 Ų | 138 | 137.3 Ų | 137.3 | 74% | 0.738 | 72% | 0.72 | S | S | * | * | | | trans | 55.9 | 157.7 | 138.4 | -63.9 | -16.5 | 0 | 0 | 0 | 123.4 | | |
| 929 | E | 50.9 | Low | 46.8 | Very low | 173 Ų | 173 | 138.1 Ų | 138.1 | 81% | 0.808 | 73% | 0.732 | S | S | * | * | | | cis | -139 | 165.6 | 2.1 | -143.8 | -176.4 | 140.5 | 0 | 0 | 112.9 | | |
| 930 | M | 51.8 | Low | 46.1 | Very low | 178 Ų | 178 | 138 Ų | 138 | 88% | 0.877 | 74% | 0.736 | S | S | * | * | | | trans | -70.9 | 167.4 | -175.9 | -56.8 | -170.9 | -70.4 | 0 | 0 | 115.1 | | |
| 931 | G | 50.4 | Low | 45.7 | Very low | 69 Ų | 69 | 139.9 Ų | 139.9 | 71% | 0.711 | 74% | 0.741 | S | S | * | * | | | trans | -164.9 | 53.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 932 | T | 46.4 | Very low | 45.2 | Very low | 129 Ų | 129 | 140.9 Ų | 140.9 | 79% | 0.791 | 75% | 0.746 | S | S | * | * | | | trans | 52.8 | 99.1 | 162.9 | 58.9 | 0 | 0 | 0 | 0 | 118.2 | | |
| 933 | T | 44.5 | Very low | 45.2 | Very low | 136 Ų | 136 | 141.5 Ų | 141.5 | 83% | 0.834 | 76% | 0.755 | S | S | * | * | | | | 74 | 101 | 71.3 | 66.3 | 0 | 0 | 0 | 0 | 117.3 | | |
| 934 | G | 41.4 | Very low | 45.1 | Very low | 79 Ų | 79 | 137 Ų | 137 | 81% | 0.814 | 74% | 0.742 | S | S | * | * | | | trans | 94.3 | 161.2 | 135.6 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 935 | A | 40 | Very low | 44.7 | Very low | 82 Ų | 82 | 131.3 Ų | 131.3 | 68% | 0.678 | 72% | 0.716 | S | S | * | * | | | cis | -166.2 | 162.9 | -14.2 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 936 | Y | 40.1 | Very low | 44.3 | Very low | 186 Ų | 186 | 127.7 Ų | 127.7 | 73% | 0.729 | 70% | 0.698 | S | S | * | * | | | trans | 70.1 | 124.7 | 149.9 | -74 | -58.9 | 0 | 0 | 0 | 122.8 | | |
| 937 | Y | 41.2 | Very low | 43.6 | Very low | 203 Ų | 203 | 127.4 Ų | 127.4 | 80% | 0.796 | 69% | 0.693 | S | S | * | * | | | trans | 63.9 | 143.1 | 147.9 | -60.8 | -52 | 0 | 0 | 0 | 119.6 | | |
| 938 | S | 41 | Very low | 42.7 | Very low | 93 Ų | 93 | 125.5 Ų | 125.5 | 65% | 0.65 | 69% | 0.688 | S | S | * | * | | | cis | -163.6 | 151 | -20.5 | -164.1 | 0 | 0 | 0 | 0 | 109.3 | | |
| 939 | S | 35 | Very low | 42 | Very low | 97 Ų | 97 | 125 Ų | 125 | 68% | 0.678 | 68% | 0.681 | S | S | * | * | | | trans | 59.4 | 116.9 | 151.9 | -62.4 | 0 | 0 | 0 | 0 | 119.7 | | |
| 940 | N | 36.2 | Very low | 41.4 | Very low | 138 Ų | 138 | 126 Ų | 126 | 74% | 0.738 | 69% | 0.686 | S | S | * | * | | | | 61.7 | 134.7 | 116.8 | -90.3 | 45 | 0 | 0 | 0 | 119.1 | | |
| 941 | E | 43.6 | Very low | 40.8 | Very low | 158 Ų | 158 | 123.5 Ų | 123.5 | 74% | 0.738 | 68% | 0.676 | S | S | * | * | | | cis | -147.1 | 134.9 | 17.1 | -56.1 | -169.8 | 152.3 | 0 | 0 | 113 | | |
| 942 | E | 44.6 | Very low | 40.1 | Very low | 172 Ų | 172 | 129 Ų | 129 | 80% | 0.804 | 68% | 0.684 | S | S | * | * | | | trans | 60.2 | 109.1 | 144.1 | -61.1 | 176.8 | -170.4 | 0 | 0 | 124.7 | | |
| 943 | E | 45.1 | Very low | 39.4 | Very low | 187 Ų | 187 | 126.5 Ų | 126.5 | 87% | 0.874 | 68% | 0.683 | S | S | * | * | | | | 60.2 | 148.2 | 126.8 | -63.3 | -167.4 | 177.5 | 0 | 0 | 125.2 | | |
| 944 | E | 43.4 | Very low | 39 | Very low | 108 Ų | 108 | 124.2 Ų | 124.2 | 51% | 0.505 | 68% | 0.678 | S | S | . | * | | | cis | -159.9 | 162.4 | -34 | -139.9 | -137.7 | 160.4 | 0 | 0 | 113.6 | R559 E563 | R559-E944 IonicContact CZ-OE1 2.72Å; R559-E944 VanDerWaalsContact CZ-OE1 3.29Å; R559-E944 IonicContact NE-OE1 3.94Å; R559-E944 PolarHBondContact NE-OE1 3.42Å; R559-E944 VanDerWaalsContact NE-OE1 3.09Å; R559-E944 IonicContact NH2-OE1 2.68Å; R559-E944 PolarHBondContact NH2-OE1 3.38Å; E563-E944 VanDerWaalsContact CG-O 3.26Å; E563-E944 WeakPolarHBondContact CG-O 3.36Å |
| 945 | A | 38 | Very low | 39.1 | Very low | 26 Ų | 26 | 126.1 Ų | 126.1 | 22% | 0.215 | 67% | 0.673 | C | S | . | * | | | trans | -62.1 | -175.6 | -171.1 | 0 | 0 | 0 | 0 | 0 | 119.7 | A562 E563 | A562-A945 CarbonylContact C-O 3.58Å; A562-A945 VanDerWaalsContact C-O 3.3Å; A562-A945 WeakPolarHBondContact CA-O 3.47Å; A562-A945 WeakPolarHBondContact CB-O 3.47Å; E563-A945 VanDerWaalsContact CG-C 3.46Å; E563-A945 VanDerWaalsContact N-C 3.29Å; E563-A945 PolarHBondContact N-O 3.33Å; E563-A945 WeakPolarHBondContact OE1-CA 3.44Å |
| 946 | V | 41 | Very low | 39.4 | Very low | 49 Ų | 49 | 126.6 Ų | 126.6 | 30% | 0.297 | 67% | 0.67 | S | S | . | * | B | Isolated β-bridge | | -137.5 | 131.9 | -69.2 | 163.4 | 0 | 0 | 0 | 0 | 109 | Q560 K561 A562 E563 | Q560-V946 CarbonylContact C-O 3.57Å; K561-V946 CarbonylContact C-O 3.32Å; K561-V946 VanDerWaalsContact C-O 3.28Å; K561-V946 WeakPolarHBondContact CA-O 3.31Å; K561-V946 PolarHBondContact N-O 3.37Å; A562-V946 VanDerWaalsContact N-C 3.33Å; A562-V946 PolarHBondContact N-O 2.87Å; E563-V946 VanDerWaalsContact N-C 3.3Å; E563-V946 VanDerWaalsContact N-N 3.16Å |
| 947 | E | 35.5 | Very low | 39.5 | Very low | 115 Ų | 115 | 124 Ų | 124 | 54% | 0.537 | 67% | 0.668 | S | S | . | * | | | trans | 38.8 | 92.7 | 168.1 | -64.9 | -141.2 | 83.3 | 0 | 0 | 123.7 | K561 E563 Y564 H949 | K561-E947 VanDerWaalsContact CA-O 3.32Å; K561-E947 WeakPolarHBondContact CA-O 3.38Å; E563-E947 WeakPolarHBondContact O-CA 3.45Å; E563-E947 PolarHBondContact O-N 2.75Å; Y564-E947 HydrophobicContact CD2-CG 4.05Å; Y564-E947 HydrophobicContact CE2-CG 3.85Å; E947-H949 PolarHBondContact O-N 2.93Å; E947-H949 VanDerWaalsContact O-N 3.12Å |
| 948 | N | 32.1 | Very low | 39.8 | Very low | 120 Ų | 120 | 118.5 Ų | 118.5 | 64% | 0.642 | 66% | 0.659 | S | S | * | * | | | trans | -76.4 | 93.9 | -178.2 | -154.8 | -30.2 | 0 | 0 | 0 | 117.4 | K561 | K561-N948 WeakPolarHBondContact O-CA 3.44Å; K561-N948 VanDerWaalsContact O-CB 3.27Å; K561-N948 WeakPolarHBondContact O-CB 3.22Å; K561-N948 PolarHBondContact O-ND2 3.23Å; K561-N948 VanDerWaalsContact O-ND2 3.09Å |
| 949 | H | 41.1 | Very low | 40.3 | Very low | 128 Ų | 128 | 118.5 Ų | 118.5 | 59% | 0.593 | 65% | 0.651 | S | S | * | * | | | trans | -63.7 | 119 | 173.1 | -92.9 | -104.8 | 0 | 0 | 0 | 115.5 | K561 E947 D951 | K561-H949 HydrophobicContact CD-CB 3.94Å; K561-H949 HydrophobicContact CG-CB 4.25Å; E947-H949 PolarHBondContact O-N 2.93Å; E947-H949 VanDerWaalsContact O-N 3.12Å; H949-D951 PolarHBondContact O-N 2.98Å |
| 950 | E | 36.7 | Very low | 41.7 | Very low | 192 Ų | 192 | 117.8 Ų | 117.8 | 90% | 0.897 | 64% | 0.643 | S | S | * | * | | | trans | -66.8 | 93.1 | 163.9 | -74.9 | -163.9 | 123 | 0 | 0 | 112.4 | | |
| 951 | D | 39.8 | Very low | 43 | Very low | 127 Ų | 127 | 121 Ų | 121 | 68% | 0.679 | 65% | 0.645 | S | S | * | * | | | trans | -76.6 | 138.7 | 173 | -115.5 | -58.3 | 0 | 0 | 0 | 112.5 | K561 H949 G953 | K561-D951 IonicContact NZ-OD2 2.74Å; K561-D951 PolarHBondContact NZ-OD2 3.1Å; H949-D951 PolarHBondContact O-N 2.98Å; D951-G953 VanDerWaalsContact C-N 3.35Å; D951-G953 PolarHBondContact O-N 3.26Å |
| 952 | Q | 34.6 | Very low | 44.3 | Very low | 185 Ų | 185 | 120.4 Ų | 120.4 | 86% | 0.864 | 64% | 0.644 | S | S | * | * | | | trans | -80.2 | 78.1 | -165.6 | -66.1 | -175.7 | 25.6 | 0 | 0 | 112.8 | A954 | Q952-A954 PolarHBondContact O-N 3.17Š|
| 953 | G | 32.7 | Very low | 45.7 | Very low | 75 Ų | 75 | 115.7 Ų | 115.7 | 77% | 0.773 | 62% | 0.624 | S | S | * | * | | | trans | -55.6 | 91.3 | 172 | 0 | 0 | 0 | 0 | 0 | 112.4 | D951 V955 | D951-G953 VanDerWaalsContact C-N 3.35Å; D951-G953 PolarHBondContact O-N 3.26Å; G953-V955 PolarHBondContact O-N 3.23Å |
| 954 | A | 36.7 | Very low | 47.4 | Very low | 89 Ų | 89 | 114.1 Ų | 114.1 | 74% | 0.736 | 62% | 0.615 | S | S | * | * | | | trans | -64.1 | 108.7 | -165.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q952 | Q952-A954 PolarHBondContact O-N 3.17Š|
| 955 | V | 42.5 | Very low | 49.1 | Very low | 118 Ų | 118 | 111.7 Ų | 111.7 | 72% | 0.715 | 61% | 0.613 | S | S | * | * | | | trans | -47 | 126.8 | 168.5 | 177.5 | 0 | 0 | 0 | 0 | 109.5 | G953 L957 | G953-V955 PolarHBondContact O-N 3.23Å; V955-L957 PolarHBondContact O-N 3.37Å |
| 956 | P | 45.9 | Very low | 51.2 | Low | 93 Ų | 93 | 114.4 Ų | 114.4 | 60% | 0.604 | 62% | 0.623 | S | S | * | * | | | trans | -64.4 | 100.5 | -171 | 22.1 | -33 | 0 | 0 | 0 | 112.4 | S958 N959 | P956-S958 PolarHBondContact O-N 2.82Å; P956-S958 PolarHBondContact O-OG 2.73Å; P956-N959 PolarHBondContact O-N 3.42Å |
| 957 | L | 43.1 | Very low | 53.5 | Low | 132 Ų | 132 | 117.3 Ų | 117.3 | 69% | 0.691 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.9 | 3.8 | 179.8 | -65.9 | 173.6 | 0 | 0 | 0 | 114.2 | V955 N959 T960 | V955-L957 PolarHBondContact O-N 3.37Å; L957-N959 VanDerWaalsContact C-N 3.33Å; L957-T960 HydrophobicContact CD2-CG2 4.31Å; L957-T960 PolarHBondContact O-OG1 3.38Å |
| 958 | S | 46.8 | Very low | 55.9 | Low | 86 Ų | 86 | 116.8 Ų | 116.8 | 60% | 0.601 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -61.2 | -41.6 | 166.2 | 56.3 | 0 | 0 | 0 | 0 | 111.6 | P956 T960 R961 M962 | P956-S958 PolarHBondContact O-N 2.82Å; P956-S958 PolarHBondContact O-OG 2.73Å; S958-T960 PolarHBondContact O-N 3.38Å; S958-R961 PolarHBondContact O-N 3.27Å; S958-M962 PolarHBondContact O-N 3.07Å |
| 959 | N | 52.5 | Low | 58.4 | Low | 93 Ų | 93 | 119.9 Ų | 119.9 | 50% | 0.497 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -71.1 | -32.4 | -174 | -153.2 | -16.7 | 0 | 0 | 0 | 111.7 | P956 L957 R961 M962 N963 | P956-N959 PolarHBondContact O-N 3.42Å; L957-N959 VanDerWaalsContact C-N 3.33Å; N959-R961 PolarHBondContact O-N 2.96Å; N959-M962 PolarHBondContact O-N 3.35Å; N959-N963 VanDerWaalsContact O-CB 3.27Å; N959-N963 WeakPolarHBondContact O-CB 3.42Å; N959-N963 VanDerWaalsContact O-CG 3.29Å; N959-N963 PolarHBondContact O-N 2.69Å; N959-N963 PolarHBondContact O-ND2 2.92Å; N959-N963 PolarHBondContact OD1-ND2 2.85Å |
| 960 | T | 63 | Low | 60.6 | Low | 83 Ų | 83 | 117.8 Ų | 117.8 | 51% | 0.509 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -67 | -33.7 | 175.7 | 62.4 | 0 | 0 | 0 | 0 | 112.6 | L957 S958 K964 | L957-T960 HydrophobicContact CD2-CG2 4.31Å; L957-T960 PolarHBondContact O-OG1 3.38Å; S958-T960 PolarHBondContact O-N 3.38Å; T960-K964 WeakPolarHBondContact O-CB 3.43Å; T960-K964 PolarHBondContact O-N 3.08Å |
| 961 | R | 64.5 | Low | 62.8 | Low | 205 Ų | 205 | 113.9 Ų | 113.9 | 77% | 0.774 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -68.9 | -44.2 | 173.6 | 179.8 | 176.7 | -85.2 | -144.3 | 0.4 | 111.7 | S958 N959 A965 | S958-R961 PolarHBondContact O-N 3.27Å; N959-R961 PolarHBondContact O-N 2.96Å; R961-A965 WeakPolarHBondContact O-CB 3.4Å; R961-A965 PolarHBondContact O-N 3.43Å |
| 962 | M | 70.4 | Confident | 64.7 | Low | 145 Ų | 145 | 116 Ų | 116 | 71% | 0.714 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -68.1 | -43.5 | 177.1 | -82.2 | -175.4 | 64.4 | 0 | 0 | 112.1 | S958 N959 K964 A965 L966 | S958-M962 PolarHBondContact O-N 3.07Å; N959-M962 PolarHBondContact O-N 3.35Å; M962-K964 PolarHBondContact O-N 3.24Å; M962-A965 CarbonylContact O-C 2.86Å; M962-A965 PolarHBondContact O-N 3.12Å; M962-L966 WeakPolarHBondContact O-CB 3.32Å; M962-L966 PolarHBondContact O-N 2.71Å |
| 963 | N | 73.9 | Confident | 66.7 | Low | 74 Ų | 74 | 110.2 Ų | 110.2 | 40% | 0.396 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -63.9 | -40.1 | 175.2 | -71.2 | -26.5 | 0 | 0 | 0 | 112 | N959 A965 L966 L967 | N959-N963 VanDerWaalsContact O-CB 3.27Å; N959-N963 WeakPolarHBondContact O-CB 3.42Å; N959-N963 VanDerWaalsContact O-CG 3.29Å; N959-N963 PolarHBondContact O-N 2.69Å; N959-N963 PolarHBondContact O-ND2 2.92Å; N959-N963 PolarHBondContact OD1-ND2 2.85Å; N963-A965 VanDerWaalsContact C-N 3.34Å; N963-A965 PolarHBondContact O-N 2.68Å; N963-L966 PolarHBondContact O-N 2.9Å; N963-L967 WeakPolarHBondContact O-CB 3.19Å; N963-L967 VanDerWaalsContact O-CD1 3.28Å; N963-L967 WeakPolarHBondContact O-CD1 3.46Å; N963-L967 PolarHBondContact O-N 3.44Å |
| 964 | K | 81 | Confident | 68.4 | Low | 154 Ų | 154 | 114 Ų | 114 | 67% | 0.67 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -63.6 | -38.4 | 173.1 | -171.9 | 168 | -175.2 | 168.8 | 0 | 112.1 | T960 M962 M968 | T960-K964 WeakPolarHBondContact O-CB 3.43Å; T960-K964 PolarHBondContact O-N 3.08Å; M962-K964 PolarHBondContact O-N 3.24Å; K964-M968 VanDerWaalsContact O-CB 3.27Å; K964-M968 WeakPolarHBondContact O-CB 3.47Å; K964-M968 WeakPolarHBondContact O-CG 3.38Å; K964-M968 PolarHBondContact O-N 3.17Å |
| 965 | A | 78.3 | Confident | 69.4 | Low | 56 Ų | 56 | 116 Ų | 116 | 46% | 0.463 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -68.1 | -35.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | R961 M962 N963 R969 | R961-A965 WeakPolarHBondContact O-CB 3.4Å; R961-A965 PolarHBondContact O-N 3.43Å; M962-A965 CarbonylContact O-C 2.86Å; M962-A965 PolarHBondContact O-N 3.12Å; N963-A965 VanDerWaalsContact C-N 3.34Å; N963-A965 PolarHBondContact O-N 2.68Å; A965-R969 VanDerWaalsContact O-CB 3.27Å; A965-R969 WeakPolarHBondContact O-CB 3.38Å; A965-R969 PolarHBondContact O-N 3.3Å |
| 966 | L | 83.6 | Confident | 69.7 | Low | 84 Ų | 84 | 120.4 Ų | 120.4 | 44% | 0.44 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -68.3 | -48.7 | 175.8 | -169.8 | 74 | 0 | 0 | 0 | 111.2 | M962 N963 R969 I970 | M962-L966 WeakPolarHBondContact O-CB 3.32Å; M962-L966 PolarHBondContact O-N 2.71Å; N963-L966 PolarHBondContact O-N 2.9Å; L966-R969 CarbonylContact O-C 3.54Å; L966-R969 WeakPolarHBondContact O-CA 3.17Å; L966-R969 WeakPolarHBondContact O-CB 3.36Å; L966-R969 PolarHBondContact O-N 3.3Å; L966-I970 HydrophobicContact CD2-CD1 4.36Å; L966-I970 HydrophobicContact CG-CD1 3.9Å; L966-I970 WeakPolarHBondContact O-CG1 3.4Å; L966-I970 PolarHBondContact O-N 2.83Å |
| 967 | L | 88.9 | Confident | 69.9 | Low | 110 Ų | 110 | 122.1 Ų | 122.1 | 58% | 0.576 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -58.5 | -49 | 174.3 | -93.5 | 65.7 | 0 | 0 | 0 | 110.9 | N963 R969 I970 E971 | N963-L967 WeakPolarHBondContact O-CB 3.19Å; N963-L967 VanDerWaalsContact O-CD1 3.28Å; N963-L967 WeakPolarHBondContact O-CD1 3.46Å; N963-L967 PolarHBondContact O-N 3.44Å; L967-R969 PolarHBondContact O-N 3.19Å; L967-I970 PolarHBondContact O-N 2.77Å; L967-E971 WeakPolarHBondContact O-CB 3.29Å; L967-E971 PolarHBondContact O-N 3.27Å |
| 968 | M | 85 | Confident | 70 | Confident | 103 Ų | 103 | 120.3 Ų | 120.3 | 51% | 0.507 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -60.3 | -27.3 | 175.1 | -72.7 | -73.8 | -68.1 | 0 | 0 | 113.1 | K964 R972 | K964-M968 VanDerWaalsContact O-CB 3.27Å; K964-M968 WeakPolarHBondContact O-CB 3.47Å; K964-M968 WeakPolarHBondContact O-CG 3.38Å; K964-M968 PolarHBondContact O-N 3.17Å; M968-R972 VanDerWaalsContact O-CB 3.25Å; M968-R972 WeakPolarHBondContact O-CB 3.41Å; M968-R972 VanDerWaalsContact O-CG 3.28Å; M968-R972 WeakPolarHBondContact O-CG 3.46Å; M968-R972 PolarHBondContact O-N 3.03Å; M968-R972 VanDerWaalsContact O-N 3.16Å |
| 969 | R | 85.3 | Confident | 69.5 | Low | 185 Ų | 185 | 118.9 Ų | 118.9 | 70% | 0.698 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -80 | -40.5 | 175.3 | -177.5 | 178.5 | -71.7 | 169.3 | -3.2 | 112.1 | A965 L966 L967 S973 | A965-R969 VanDerWaalsContact O-CB 3.27Å; A965-R969 WeakPolarHBondContact O-CB 3.38Å; A965-R969 PolarHBondContact O-N 3.3Å; L966-R969 CarbonylContact O-C 3.54Å; L966-R969 WeakPolarHBondContact O-CA 3.17Å; L966-R969 WeakPolarHBondContact O-CB 3.36Å; L966-R969 PolarHBondContact O-N 3.3Å; L967-R969 PolarHBondContact O-N 3.19Å; R969-S973 WeakPolarHBondContact O-CB 3.35Å; R969-S973 PolarHBondContact O-N 3.27Å; R969-S973 PolarHBondContact O-OG 3.44Å |
| 970 | I | 86.6 | Confident | 68.7 | Low | 84 Ų | 84 | 120.4 Ų | 120.4 | 43% | 0.431 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -67.8 | -39.1 | 175.4 | -68.8 | 166.6 | 0 | 0 | 0 | 110.9 | L966 L967 S973 K974 | L966-I970 HydrophobicContact CD2-CD1 4.36Å; L966-I970 HydrophobicContact CG-CD1 3.9Å; L966-I970 WeakPolarHBondContact O-CG1 3.4Å; L966-I970 PolarHBondContact O-N 2.83Å; L967-I970 PolarHBondContact O-N 2.77Å; I970-S973 WeakPolarHBondContact CA-OG 3.29Å; I970-S973 PolarHBondContact O-N 3.33Å; I970-S973 PolarHBondContact O-OG 3.5Å; I970-K974 PolarHBondContact O-N 2.8Å |
| 971 | E | 83.2 | Confident | 67.4 | Low | 111 Ų | 111 | 126 Ų | 126 | 52% | 0.519 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -71.9 | -40.2 | 176.9 | -172.8 | 154.9 | -145.5 | 0 | 0 | 111.4 | L967 S973 K974 Q975 | L967-E971 WeakPolarHBondContact O-CB 3.29Å; L967-E971 PolarHBondContact O-N 3.27Å; E971-S973 VanDerWaalsContact C-N 3.33Å; E971-S973 PolarHBondContact O-N 2.85Å; E971-K974 PolarHBondContact O-N 3.47Å; E971-Q975 WeakPolarHBondContact O-CB 3.22Å; E971-Q975 WeakPolarHBondContact O-CG 3.46Å; E971-Q975 PolarHBondContact O-N 2.91Å |
| 972 | R | 79.7 | Confident | 66 | Low | 170 Ų | 170 | 121 Ų | 121 | 64% | 0.642 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -64.4 | -31.6 | 169.6 | -82.4 | -179.5 | 161.6 | -171.6 | -4.6 | 113.5 | M968 R976 | M968-R972 VanDerWaalsContact O-CB 3.25Å; M968-R972 WeakPolarHBondContact O-CB 3.41Å; M968-R972 VanDerWaalsContact O-CG 3.28Å; M968-R972 WeakPolarHBondContact O-CG 3.46Å; M968-R972 PolarHBondContact O-N 3.03Å; M968-R972 VanDerWaalsContact O-N 3.16Å; R972-R976 WeakPolarHBondContact O-CB 3.44Å; R972-R976 WeakPolarHBondContact O-CG 3.47Å; R972-R976 PolarHBondContact O-N 3.28Å; R972-R976 VanDerWaalsContact O-N 3.08Å |
| 973 | S | 77.1 | Confident | 64.3 | Low | 65 Ų | 65 | 119.7 Ų | 119.7 | 46% | 0.455 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -73 | -42.1 | 174.4 | 69.9 | 0 | 0 | 0 | 0 | 111.3 | R969 I970 E971 Q975 R976 V977 | R969-S973 WeakPolarHBondContact O-CB 3.35Å; R969-S973 PolarHBondContact O-N 3.27Å; R969-S973 PolarHBondContact O-OG 3.44Å; I970-S973 WeakPolarHBondContact CA-OG 3.29Å; I970-S973 PolarHBondContact O-N 3.33Å; I970-S973 PolarHBondContact O-OG 3.5Å; E971-S973 VanDerWaalsContact C-N 3.33Å; E971-S973 PolarHBondContact O-N 2.85Å; S973-Q975 PolarHBondContact O-N 3.47Å; S973-R976 PolarHBondContact O-N 2.85Å; S973-V977 WeakPolarHBondContact O-CG2 3.42Å; S973-V977 PolarHBondContact O-N 2.84Å; S973-V977 VanDerWaalsContact O-N 3.08Å |
| 974 | K | 68.6 | Low | 62.6 | Low | 154 Ų | 154 | 120.7 Ų | 120.7 | 67% | 0.67 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -57 | -47.1 | 169.8 | -86.2 | -172.1 | 170.9 | -178.3 | 0 | 112.4 | I970 E971 R976 V977 A978 | I970-K974 PolarHBondContact O-N 2.8Å; E971-K974 PolarHBondContact O-N 3.47Å; K974-R976 VanDerWaalsContact C-N 3.3Å; K974-R976 PolarHBondContact O-N 3.25Å; K974-V977 PolarHBondContact O-N 3.29Å; K974-A978 WeakPolarHBondContact O-CB 3.48Å; K974-A978 PolarHBondContact O-N 3.41Å; K974-A978 VanDerWaalsContact O-N 3.08Å |
| 975 | Q | 56.9 | Low | 60.5 | Low | 130 Ų | 130 | 121.4 Ų | 121.4 | 61% | 0.607 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -64.7 | -30.9 | 178.3 | -75.8 | 179.3 | -11.7 | 0 | 0 | 113.2 | E971 S973 | E971-Q975 WeakPolarHBondContact O-CB 3.22Å; E971-Q975 WeakPolarHBondContact O-CG 3.46Å; E971-Q975 PolarHBondContact O-N 2.91Å; S973-Q975 PolarHBondContact O-N 3.47Å |
| 976 | R | 50.2 | Low | 58.5 | Low | 211 Ų | 211 | 124.4 Ų | 124.4 | 80% | 0.796 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -77.9 | -20.5 | 174.4 | -76.5 | -177.6 | 177.5 | -122.2 | -2.1 | 114.3 | R972 S973 K974 | R972-R976 WeakPolarHBondContact O-CB 3.44Å; R972-R976 WeakPolarHBondContact O-CG 3.47Å; R972-R976 PolarHBondContact O-N 3.28Å; R972-R976 VanDerWaalsContact O-N 3.08Å; S973-R976 PolarHBondContact O-N 2.85Å; K974-R976 VanDerWaalsContact C-N 3.3Å; K974-R976 PolarHBondContact O-N 3.25Å |
| 977 | V | 50.1 | Low | 56.3 | Low | 130 Ų | 130 | 126 Ų | 126 | 79% | 0.788 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -86 | -24.5 | 173.6 | 173.4 | 0 | 0 | 0 | 0 | 111.8 | S973 K974 | S973-V977 WeakPolarHBondContact O-CG2 3.42Å; S973-V977 PolarHBondContact O-N 2.84Å; S973-V977 VanDerWaalsContact O-N 3.08Å; K974-V977 PolarHBondContact O-N 3.29Å |
| 978 | A | 44.3 | Very low | 53.9 | Low | 93 Ų | 93 | 126.5 Ų | 126.5 | 77% | 0.769 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -92.1 | 12.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | K974 | K974-A978 WeakPolarHBondContact O-CB 3.48Å; K974-A978 PolarHBondContact O-N 3.41Å; K974-A978 VanDerWaalsContact O-N 3.08Å |
| 979 | G | 37.2 | Very low | 51.6 | Low | 56 Ų | 56 | 126 Ų | 126 | 58% | 0.577 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -145.8 | 21.2 | -157 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 980 | T | 35.1 | Very low | 49.7 | Very low | 126 Ų | 126 | 122.9 Ų | 122.9 | 77% | 0.773 | 71% | 0.712 | S | S | * | * | | | trans | -149.4 | 77.2 | 174.7 | 53.4 | 0 | 0 | 0 | 0 | 114.4 | | |
| 981 | Q | 36 | Very low | 47.3 | Very low | 200 Ų | 200 | 124 Ų | 124 | 94% | 0.935 | 73% | 0.733 | S | S | * | * | | | trans | -149.1 | 103.2 | 158.7 | -74.5 | -160 | 23.2 | 0 | 0 | 112 | | |
| 982 | A | 34.9 | Very low | 45.1 | Very low | 101 Ų | 101 | 122.6 Ų | 122.6 | 84% | 0.835 | 75% | 0.749 | S | S | * | * | | | trans | -164.5 | 103.6 | 161.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 983 | P | 35.2 | Very low | 43 | Very low | 117 Ų | 117 | 124.1 Ų | 124.1 | 76% | 0.76 | 76% | 0.76 | S | S | * | * | | | trans | -97.9 | 148.2 | 177.5 | 35.8 | -31.6 | 0 | 0 | 0 | 112.7 | | |
| 984 | A | 37.9 | Very low | 41.2 | Very low | 95 Ų | 95 | 129.3 Ų | 129.3 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | | | trans | -135.2 | 143.6 | 167 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 985 | K | 36 | Very low | 39.8 | Very low | 168 Ų | 168 | 126.7 Ų | 126.7 | 73% | 0.73 | 78% | 0.783 | S | S | * | * | | | trans | -114 | 148.3 | -178.7 | -94 | -174.9 | 174.5 | -178.3 | 0 | 111 | N318 | N318-K985 PolarHBondContact ND2-O 2.86Š|
| 986 | P | 36.7 | Very low | 38.9 | Very low | 119 Ų | 119 | 129.4 Ų | 129.4 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | | | trans | -90.9 | 160.2 | 175.6 | 37.5 | -35.2 | 0 | 0 | 0 | 112.7 | | |
| 987 | T | 36.4 | Very low | 38.3 | Very low | 118 Ų | 118 | 123.2 Ų | 123.2 | 72% | 0.724 | 79% | 0.792 | S | S | * | * | | | trans | -170.6 | 134.3 | 140.8 | -177 | 0 | 0 | 0 | 0 | 112.1 | | |
| 988 | S | 39 | Very low | 37.8 | Very low | 120 Ų | 120 | 125.6 Ų | 125.6 | 84% | 0.839 | 80% | 0.795 | S | S | * | * | | | trans | -168.7 | 149.9 | 142 | 59.9 | 0 | 0 | 0 | 0 | 109.1 | | |
| 989 | A | 37 | Very low | 37.5 | Very low | 92 Ų | 92 | 126.6 Ų | 126.6 | 76% | 0.76 | 80% | 0.796 | S | S | * | * | | | trans | -139.6 | -169.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 990 | P | 45.6 | Very low | 37.5 | Very low | 121 Ų | 121 | 127.8 Ų | 127.8 | 79% | 0.786 | 81% | 0.808 | S | S | * | * | | | cis | -142.1 | -173.1 | 0.7 | 43.7 | -24.9 | 0 | 0 | 0 | 116.5 | | |
| 991 | A | 36.9 | Very low | 37.6 | Very low | 106 Ų | 106 | 127.2 Ų | 127.2 | 88% | 0.876 | 82% | 0.816 | S | S | * | * | | | trans | 72 | 135.9 | 147.1 | 0 | 0 | 0 | 0 | 0 | 122.1 | | |
| 992 | G | 37 | Very low | 37.3 | Very low | 82 Ų | 82 | 121 Ų | 121 | 85% | 0.845 | 81% | 0.805 | S | S | * | * | | | trans | 156.7 | 120.8 | 167.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 993 | K | 35.4 | Very low | 37.2 | Very low | 203 Ų | 203 | 124.2 Ų | 124.2 | 88% | 0.883 | 81% | 0.808 | S | S | * | * | | | trans | -96.5 | 145.2 | 179.1 | -57.2 | 171.9 | -177.3 | 173.9 | 0 | 111.1 | | |
| 994 | L | 39.3 | Very low | 37.2 | Very low | 173 Ų | 173 | 125.1 Ų | 125.1 | 91% | 0.906 | 81% | 0.811 | S | S | * | * | | | | 168.5 | -172.7 | 129 | -88.8 | 162.7 | 0 | 0 | 0 | 111.9 | | |
| 995 | S | 38.5 | Very low | 37 | Very low | 99 Ų | 99 | 125 Ų | 125 | 69% | 0.692 | 81% | 0.81 | S | S | * | * | | | trans | -131 | 136.4 | -140.2 | 57.1 | 0 | 0 | 0 | 0 | 118.7 | | |
| 996 | M | 38 | Very low | 37.1 | Very low | 187 Ų | 187 | 122.8 Ų | 122.8 | 92% | 0.921 | 81% | 0.814 | S | S | * | * | | | trans | 70.1 | 143.8 | 137.2 | -153.7 | 173.9 | 78.5 | 0 | 0 | 121.9 | | |
| 997 | A | 37.1 | Very low | 37.5 | Very low | 82 Ų | 82 | 122.7 Ų | 122.7 | 68% | 0.678 | 81% | 0.814 | S | S | * | * | | | trans | 101.4 | 92.9 | 152.3 | 0 | 0 | 0 | 0 | 0 | 121.3 | | |
| 998 | Q | 41.1 | Very low | 37.3 | Very low | 180 Ų | 180 | 123.6 Ų | 123.6 | 84% | 0.841 | 81% | 0.814 | S | S | * | * | | | | 89.1 | 115.1 | 118.3 | -156.8 | 178 | -65 | 0 | 0 | 122.6 | | |
| 999 | S | 37.5 | Very low | 37.5 | Very low | 113 Ų | 113 | 123.8 Ų | 123.8 | 79% | 0.79 | 81% | 0.81 | S | S | * | * | | | trans | 61 | 122.5 | 149.4 | 68.6 | 0 | 0 | 0 | 0 | 121.7 | | |
| 1000 | G | 37.2 | Very low | 37.9 | Very low | 81 Ų | 81 | 124.6 Ų | 124.6 | 84% | 0.835 | 81% | 0.808 | S | S | * | * | | | trans | 169.1 | 138.1 | 164.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 1001 | A | 36 | Very low | 37.2 | Very low | 114 Ų | 114 | 126.7 Ų | 126.7 | 94% | 0.942 | 81% | 0.807 | S | S | * | * | | | trans | -113.5 | 131.1 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 1002 | G | 30.3 | Very low | 37.2 | Very low | 69 Ų | 69 | 129.3 Ų | 129.3 | 71% | 0.711 | 80% | 0.803 | S | S | * | * | | | trans | 141.1 | 121.4 | 161.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 1003 | L | 32.8 | Very low | 37.8 | Very low | 170 Ų | 170 | 129.9 Ų | 129.9 | 89% | 0.89 | 79% | 0.792 | S | S | * | * | | | trans | 69.6 | 130.6 | 154.8 | -64.1 | 162.1 | 0 | 0 | 0 | 119.7 | | |
| 1004 | V | 35.2 | Very low | 37.7 | Very low | 135 Ų | 135 | 130.5 Ų | 130.5 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | | | trans | 77.2 | 135.5 | 151.4 | 175.2 | 0 | 0 | 0 | 0 | 119.7 | | |
| 1005 | A | 34.2 | Very low | 37.4 | Very low | 93 Ų | 93 | 133.2 Ų | 133.2 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | | | trans | 75.1 | 167.1 | 160.6 | 0 | 0 | 0 | 0 | 0 | 120.8 | | |
| 1006 | C | 37.5 | Very low | 37.5 | Very low | 121 Ų | 121 | 131.7 Ų | 131.7 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | | | trans | -108.3 | -171 | -171.7 | -32.7 | 0 | 0 | 0 | 0 | 110.4 | | |
| 1007 | P | 45.2 | Very low | 37.7 | Very low | 118 Ų | 118 | 130.7 Ų | 130.7 | 77% | 0.766 | 78% | 0.784 | S | S | * | * | | | cis | -133.1 | 175 | -30 | 35.7 | -18 | 0 | 0 | 0 | 114.7 | | |
| 1008 | N | 32.9 | Very low | 37.6 | Very low | 137 Ų | 137 | 135.9 Ų | 135.9 | 73% | 0.733 | 79% | 0.791 | S | S | * | * | | | trans | 76.5 | 100 | 145.7 | -155.1 | 33.3 | 0 | 0 | 0 | 122.6 | | |
| 1009 | T | 43.3 | Very low | 37.6 | Very low | 123 Ų | 123 | 132.9 Ų | 132.9 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | | | trans | 64.2 | 165.7 | 155.2 | 55.5 | 0 | 0 | 0 | 0 | 118.9 | | |
| 1010 | P | 44.9 | Very low | 37.6 | Very low | 109 Ų | 109 | 131.8 Ų | 131.8 | 71% | 0.708 | 79% | 0.787 | S | S | * | * | | | cis | -130.8 | -174.9 | 2.1 | 43.6 | -27 | 0 | 0 | 0 | 116.6 | | |
| 1011 | E | 31.9 | Very low | 38.1 | Very low | 166 Ų | 166 | 133.8 Ų | 133.8 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | | | trans | 51.1 | 119.5 | 147.2 | -88.8 | -159.3 | 104.3 | 0 | 0 | 125.4 | | |
| 1012 | M | 35.4 | Very low | 38.2 | Very low | 160 Ų | 160 | 139.8 Ų | 139.8 | 79% | 0.788 | 78% | 0.784 | S | S | * | * | | | | 70.4 | 160.5 | 125.1 | -71.8 | -78.6 | -82.6 | 0 | 0 | 120.8 | | |
| 1013 | P | 49.1 | Very low | 38.7 | Very low | 94 Ų | 94 | 140.5 Ų | 140.5 | 61% | 0.61 | 78% | 0.783 | S | S | * | * | | | trans | -121.2 | 167.2 | -149.1 | 42.6 | -33.4 | 0 | 0 | 0 | 115.6 | | |
| 1014 | R | 34.4 | Very low | 39.2 | Very low | 217 Ų | 217 | 136.8 Ų | 136.8 | 82% | 0.819 | 78% | 0.777 | S | S | * | * | | | | 176.6 | 150.7 | 124.4 | -97.9 | 152.2 | -177.4 | -168.5 | 1.9 | 115 | | |
| 1015 | R | 33.1 | Very low | 39.4 | Very low | 229 Ų | 229 | 136.7 Ų | 136.7 | 86% | 0.864 | 78% | 0.779 | S | S | * | * | | | trans | 59.8 | 110.7 | 146 | -67 | 167.8 | 178.3 | -147.8 | -3.3 | 118.9 | | |
| 1016 | G | 39.8 | Very low | 39.6 | Very low | 67 Ų | 67 | 135.7 Ų | 135.7 | 69% | 0.691 | 78% | 0.778 | S | S | * | * | | | trans | -88.4 | 175.6 | 159.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 1017 | I | 41.7 | Very low | 39.3 | Very low | 167 Ų | 167 | 135.8 Ų | 135.8 | 86% | 0.856 | 78% | 0.78 | S | S | * | * | | | trans | -146.2 | 159.6 | 178.5 | 50.6 | 173 | 0 | 0 | 0 | 110.1 | | |
| 1018 | K | 36 | Very low | 38.6 | Very low | 191 Ų | 191 | 133.6 Ų | 133.6 | 83% | 0.83 | 78% | 0.778 | S | S | * | * | | | cis | 175.5 | 100.7 | -45.7 | -110.3 | -178.2 | 174.4 | -170.2 | 0 | 109.4 | | |
| 1019 | S | 41.9 | Very low | 38.5 | Very low | 117 Ų | 117 | 132.8 Ų | 132.8 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | | | trans | -177.5 | 111.2 | 165.2 | 34 | 0 | 0 | 0 | 0 | 109.1 | | |
| 1020 | A | 36.8 | Very low | 38 | Very low | 89 Ų | 89 | 136.6 Ų | 136.6 | 74% | 0.736 | 78% | 0.775 | S | S | * | * | | | cis | 80.2 | 153.3 | 18.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 1021 | P | 47.2 | Very low | 37.4 | Very low | 124 Ų | 124 | 137.4 Ų | 137.4 | 81% | 0.805 | 78% | 0.778 | S | S | * | * | | | cis | -80.8 | -152.7 | -7.2 | 39.3 | -38.5 | 0 | 0 | 0 | 111.1 | | |
| 1022 | R | 39.1 | Very low | 37.3 | Very low | 240 Ų | 240 | 133.8 Ų | 133.8 | 91% | 0.906 | 78% | 0.776 | S | S | * | * | | | cis | -156.1 | 156.2 | -0.1 | -137.6 | -171.2 | -169.9 | -177.8 | 3.1 | 104.7 | | |
| 1023 | A | 40.8 | Very low | 37 | Very low | 84 Ų | 84 | 137.2 Ų | 137.2 | 69% | 0.694 | 78% | 0.78 | S | S | * | * | | | cis | -146.9 | 149 | -3.9 | 0 | 0 | 0 | 0 | 0 | 107 | | |
| 1024 | A | 42.9 | Very low | 36.3 | Very low | 92 Ų | 92 | 141.4 Ų | 141.4 | 76% | 0.76 | 79% | 0.791 | S | S | * | * | | | | 75 | 142.1 | 84.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 1025 | P | 40.3 | Very low | 36.2 | Very low | 133 Ų | 133 | 136.4 Ų | 136.4 | 86% | 0.864 | 79% | 0.789 | S | S | * | * | | | cis | -137.5 | 168.2 | -36.1 | 38.7 | -22.9 | 0 | 0 | 0 | 114.9 | | |
| 1026 | G | 38 | Very low | 36.7 | Very low | 71 Ų | 71 | 133.6 Ų | 133.6 | 73% | 0.732 | 79% | 0.788 | S | S | * | * | | | trans | 123.3 | 94.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 1027 | S | 31.2 | Very low | 37.2 | Very low | 123 Ų | 123 | 134.2 Ų | 134.2 | 86% | 0.86 | 78% | 0.78 | S | S | * | * | | | | 59.6 | 109.5 | 79.2 | -162.3 | 0 | 0 | 0 | 0 | 111.4 | | |
| 1028 | G | 30.7 | Very low | 37.4 | Very low | 72 Ų | 72 | 134.1 Ų | 134.1 | 74% | 0.742 | 77% | 0.769 | S | S | * | * | | | | 114 | 156.2 | 64.6 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 1029 | N | 30.4 | Very low | 37.3 | Very low | 120 Ų | 120 | 128.4 Ų | 128.4 | 64% | 0.642 | 75% | 0.745 | S | S | * | * | | | cis | -156.6 | 142.9 | 3.7 | -127.3 | -34.4 | 0 | 0 | 0 | 109.8 | | |
| 1030 | R | 31.9 | Very low | 37.3 | Very low | 203 Ų | 203 | 127.7 Ų | 127.7 | 77% | 0.766 | 74% | 0.736 | S | S | * | * | | | trans | 38.5 | 128.5 | 137 | -79 | -173.6 | -79.7 | 178 | -1.5 | 123.7 | | |
| 1031 | V | 32.5 | Very low | 37.6 | Very low | 127 Ų | 127 | 128.2 Ų | 128.2 | 77% | 0.77 | 73% | 0.734 | S | S | * | * | | | | 89.2 | 102.7 | 120.9 | 174.3 | 0 | 0 | 0 | 0 | 121.6 | | |
| 1032 | A | 30.3 | Very low | 37.4 | Very low | 89 Ų | 89 | 129.3 Ų | 129.3 | 74% | 0.736 | 73% | 0.733 | S | S | * | * | | | | 71.9 | 168.2 | 128.2 | 0 | 0 | 0 | 0 | 0 | 123.3 | | |
| 1033 | R | 30 | Very low | 37.8 | Very low | 233 Ų | 233 | 121.7 Ų | 121.7 | 88% | 0.879 | 72% | 0.716 | S | S | * | * | | | trans | 76.2 | 111.5 | -178.2 | -56.6 | 177.1 | 174.1 | -129.5 | -4.8 | 113.1 | | |
| 1034 | Q | 33.3 | Very low | 37.8 | Very low | 182 Ų | 182 | 126.9 Ų | 126.9 | 85% | 0.85 | 72% | 0.718 | S | S | * | * | | | | 80.1 | 144.8 | 59.8 | -73.9 | -171 | -13.5 | 0 | 0 | 113.9 | | |
| 1035 | S | 31.6 | Very low | 38 | Very low | 111 Ų | 111 | 128.7 Ų | 128.7 | 78% | 0.776 | 71% | 0.714 | S | S | * | * | | | trans | 71.9 | 150.9 | -166.7 | 76.9 | 0 | 0 | 0 | 0 | 115 | | |
| 1036 | M | 45.5 | Very low | 38.1 | Very low | 171 Ų | 171 | 127 Ų | 127 | 84% | 0.842 | 71% | 0.711 | S | S | * | * | | | cis | -154.8 | 164.8 | -28 | -103.9 | -39 | -176.2 | 0 | 0 | 108.9 | | |
| 1037 | P | 49.4 | Very low | 38.4 | Very low | 80 Ų | 80 | 131.7 Ų | 131.7 | 52% | 0.519 | 71% | 0.714 | S | S | . | * | | | trans | -90.7 | 168.2 | -168.5 | 37.1 | -38 | 0 | 0 | 0 | 114.6 | | |
| 1038 | R | 45.4 | Very low | 38.8 | Very low | 164 Ų | 164 | 132.9 Ų | 132.9 | 62% | 0.619 | 71% | 0.706 | S | S | * | * | | | trans | -135.6 | 79.4 | 165.4 | -155.4 | 170.2 | -170.3 | 125.4 | -0.3 | 113.7 | Q779 | Q779-R1038 HydrophobicContact CB-CB 4.25Å; Q779-R1038 HydrophobicContact CG-CB 3.52Å; Q779-R1038 HydrophobicContact CG-CG 4.27Å |
| 1039 | E | 35.3 | Very low | 39.4 | Very low | 72 Ų | 72 | 136.3 Ų | 136.3 | 34% | 0.336 | 71% | 0.712 | S | S | . | * | | | trans | -60.6 | -175.5 | 145.9 | -41.9 | -49.4 | 156.3 | 0 | 0 | 110.8 | S776 S777 | S776-E1039 WeakPolarHBondContact CB-OE1 3.43Å; S776-E1039 VanDerWaalsContact CB-OE2 3.29Å; S776-E1039 WeakPolarHBondContact CB-OE2 3.46Å; S776-E1039 PolarHBondContact OG-OE1 3.48Å; S776-E1039 PolarHBondContact OG-OE2 3.02Å; S777-E1039 VanDerWaalsContact CB-CD 3.5Å; S777-E1039 VanDerWaalsContact CB-OE1 3.29Å; S777-E1039 WeakPolarHBondContact CB-OE1 3.22Å; S777-E1039 VanDerWaalsContact CB-OE2 3.22Å; S777-E1039 WeakPolarHBondContact CB-OE2 3.39Å; S777-E1039 PolarHBondContact N-OE1 2.76Å; S777-E1039 VanDerWaalsContact N-OE1 3.12Å; S777-E1039 PolarHBondContact OG-OE2 3.32Å |
| 1040 | T | 41.3 | Very low | 40.3 | Very low | 101 Ų | 101 | 134.9 Ų | 134.9 | 62% | 0.62 | 71% | 0.71 | S | S | * | * | | | trans | 87.4 | 87.4 | 174.4 | 72.7 | 0 | 0 | 0 | 0 | 116.7 | | |
| 1041 | S | 42.8 | Very low | 40.8 | Very low | 100 Ų | 100 | 130.3 Ų | 130.3 | 70% | 0.699 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -159.4 | -55.4 | 145.9 | -81.8 | 0 | 0 | 0 | 0 | 110.2 | S1043 R1044 | S1041-S1043 PolarHBondContact O-N 3.4Å; S1041-R1044 PolarHBondContact O-N 2.81Å |
| 1042 | L | 42 | Very low | 41.3 | Very low | 147 Ų | 147 | 128.5 Ų | 128.5 | 77% | 0.77 | 70% | 0.701 | S | S | * | * | G | 310 helix | trans | -74.5 | -24.4 | -174.9 | -69.3 | 170.6 | 0 | 0 | 0 | 114.6 | R1044 L1045 | L1042-R1044 PolarHBondContact O-N 2.94Å; L1042-R1044 VanDerWaalsContact O-N 3.1Å; L1042-L1045 PolarHBondContact O-N 2.97Å |
| 1043 | S | 47.9 | Very low | 42 | Very low | 81 Ų | 81 | 131.5 Ų | 131.5 | 57% | 0.566 | 70% | 0.704 | S | S | * | * | G | 310 helix | trans | -63.5 | -14.5 | 176.1 | -41.3 | 0 | 0 | 0 | 0 | 114.2 | S1041 Q1047 | S1041-S1043 PolarHBondContact O-N 3.4Å; S1043-Q1047 WeakPolarHBondContact O-CG 3.41Å; S1043-Q1047 PolarHBondContact O-OE1 3.44Å |
| 1044 | R | 42.4 | Very low | 42.8 | Very low | 192 Ų | 192 | 124.3 Ų | 124.3 | 73% | 0.725 | 70% | 0.695 | S | S | * | * | G | 310 helix | trans | -82.5 | -32.1 | 175.7 | -73.8 | -175.5 | 171.3 | 176.4 | -3.5 | 113.4 | S1041 L1042 | S1041-R1044 PolarHBondContact O-N 2.81Å; L1042-R1044 PolarHBondContact O-N 2.94Å; L1042-R1044 VanDerWaalsContact O-N 3.1Å |
| 1045 | L | 47 | Very low | 43.5 | Very low | 131 Ų | 131 | 120.9 Ų | 120.9 | 69% | 0.686 | 68% | 0.682 | S | S | * | * | G | 310 helix | trans | -78.8 | -32.3 | -174.9 | -167.7 | 61.4 | 0 | 0 | 0 | 112.4 | L1042 Q1047 Q1048 | L1042-L1045 PolarHBondContact O-N 2.97Å; L1045-Q1047 VanDerWaalsContact C-N 3.26Å; L1045-Q1047 PolarHBondContact O-N 3.46Å; L1045-Q1048 PolarHBondContact O-N 3.36Å |
| 1046 | A | 40.6 | Very low | 44.4 | Very low | 96 Ų | 96 | 118.3 Ų | 118.3 | 79% | 0.793 | 67% | 0.668 | S | S | * | * | G | 310 helix | trans | -77.8 | -6.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 1047 | Q | 46.2 | Very low | 44.4 | Very low | 170 Ų | 170 | 115 Ų | 115 | 79% | 0.794 | 65% | 0.648 | S | S | * | * | G | 310 helix | trans | -96.5 | 3 | 172.9 | -71.1 | -176.7 | -39.1 | 0 | 0 | 112.6 | S1043 L1045 | S1043-Q1047 WeakPolarHBondContact O-CG 3.41Å; S1043-Q1047 PolarHBondContact O-OE1 3.44Å; L1045-Q1047 VanDerWaalsContact C-N 3.26Å; L1045-Q1047 PolarHBondContact O-N 3.46Å |
| 1048 | Q | 38.5 | Very low | 44.5 | Very low | 149 Ų | 149 | 117.4 Ų | 117.4 | 70% | 0.696 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -141.4 | 73.4 | -170.3 | -169 | -178.3 | -13.2 | 0 | 0 | 112.5 | L1045 | L1045-Q1048 PolarHBondContact O-N 3.36Š|
| 1049 | V | 44.2 | Very low | 44.7 | Very low | 143 Ų | 143 | 116.6 Ų | 116.6 | 87% | 0.867 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -167.8 | 139 | 142.3 | 136.7 | 0 | 0 | 0 | 0 | 108.1 | | |
| 1050 | P | 48.3 | Very low | 45.3 | Very low | 91 Ų | 91 | 119.8 Ų | 119.8 | 59% | 0.591 | 67% | 0.673 | S | S | * | * | | | trans | -107.1 | 140.9 | -146.5 | 1.6 | 21.3 | 0 | 0 | 0 | 115.5 | S1052 | P1050-S1052 PolarHBondContact O-N 2.84Å; P1050-S1052 PolarHBondContact O-OG 3.13Å |
| 1051 | S | 42.8 | Very low | 45.5 | Very low | 106 Ų | 106 | 120.2 Ų | 120.2 | 74% | 0.741 | 67% | 0.671 | S | S | * | * | S | Bend | | 24 | 6.9 | 129.5 | 57.9 | 0 | 0 | 0 | 0 | 124.5 | | |
| 1052 | S | 41.9 | Very low | 45.8 | Very low | 89 Ų | 89 | 123.4 Ų | 123.4 | 62% | 0.622 | 68% | 0.675 | S | S | * | * | | | trans | -92.6 | -39.6 | -170 | 57.6 | 0 | 0 | 0 | 0 | 115.2 | P1050 A1054 | P1050-S1052 PolarHBondContact O-N 2.84Å; P1050-S1052 PolarHBondContact O-OG 3.13Å; S1052-A1054 PolarHBondContact O-N 3.29Å |
| 1053 | L | 45 | Very low | 46 | Very low | 152 Ų | 152 | 121.2 Ų | 121.2 | 80% | 0.796 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -70.4 | -34.5 | -170.3 | -166.5 | 67.6 | 0 | 0 | 0 | 113.7 | N1055 A1056 | L1053-N1055 VanDerWaalsContact C-N 3.27Å; L1053-N1055 PolarHBondContact O-N 3.34Å; L1053-A1056 PolarHBondContact O-N 2.84Å |
| 1054 | A | 47.5 | Very low | 45.6 | Very low | 82 Ų | 82 | 121.4 Ų | 121.4 | 68% | 0.678 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -72 | -15.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | S1052 | S1052-A1054 PolarHBondContact O-N 3.29Å |
| 1055 | N | 47.6 | Very low | 45.4 | Very low | 110 Ų | 110 | 120.2 Ų | 120.2 | 59% | 0.588 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -92.7 | -24.3 | 179.4 | -70.3 | -21.4 | 0 | 0 | 0 | 112.8 | L1053 Q1059 | L1053-N1055 VanDerWaalsContact C-N 3.27Å; L1053-N1055 PolarHBondContact O-N 3.34Å; N1055-Q1059 PolarHBondContact O-N 2.94Å |
| 1056 | A | 50.9 | Low | 44.7 | Very low | 57 Ų | 57 | 118.3 Ų | 118.3 | 47% | 0.471 | 69% | 0.685 | S | S | . | * | H | α-helix | trans | -68.6 | -41.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113 | L1053 K1058 Q1059 L1060 | L1053-A1056 PolarHBondContact O-N 2.84Å; A1056-K1058 PolarHBondContact O-N 3.35Å; A1056-Q1059 PolarHBondContact O-N 2.98Å; A1056-L1060 PolarHBondContact O-N 3.44Å |
| 1057 | K | 45.6 | Very low | 44.3 | Very low | 101 Ų | 101 | 117.4 Ų | 117.4 | 44% | 0.439 | 69% | 0.685 | S | S | . | * | H | α-helix | trans | -63.2 | -44 | -179.2 | -158 | -179.9 | 179.3 | -179.5 | 0 | 111 | Q1059 L1060 E1247 N1248 | K1057-Q1059 VanDerWaalsContact C-N 3.31Å; K1057-Q1059 PolarHBondContact O-N 2.8Å; K1057-L1060 PolarHBondContact O-N 2.85Å; K1057-E1247 WeakPolarHBondContact CB-OE2 3.2Å; K1057-E1247 HydrophobicContact CD-CB 4.08Å; K1057-E1247 HydrophobicContact CD-CG 4.14Å; K1057-E1247 WeakPolarHBondContact CD-OE2 3.18Å; K1057-E1247 HydrophobicContact CG-CG 4.15Å; K1057-E1247 WeakPolarHBondContact CG-OE2 3.39Å; K1057-N1248 PolarHBondContact NZ-O 3.17Å |
| 1058 | K | 50.8 | Low | 43.8 | Very low | 131 Ų | 131 | 116.1 Ų | 116.1 | 57% | 0.57 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -61 | -29.7 | 173 | -107.1 | -169.5 | 173.4 | -169 | 0 | 115.5 | A1056 E1247 | A1056-K1058 PolarHBondContact O-N 3.35Å; K1058-E1247 WeakPolarHBondContact CA-OE1 3.13Å |
| 1059 | Q | 50.9 | Low | 43.5 | Very low | 148 Ų | 148 | 114.9 Ų | 114.9 | 69% | 0.692 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -81.7 | -20.2 | -177.1 | -158.6 | 170.6 | 19.9 | 0 | 0 | 112.7 | N1055 A1056 K1057 | N1055-Q1059 PolarHBondContact O-N 2.94Å; A1056-Q1059 PolarHBondContact O-N 2.98Å; K1057-Q1059 VanDerWaalsContact C-N 3.31Å; K1057-Q1059 PolarHBondContact O-N 2.8Å |
| 1060 | L | 47.1 | Very low | 43 | Very low | 139 Ų | 139 | 113.2 Ų | 113.2 | 73% | 0.728 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -89.2 | -26.8 | -179.4 | -172.5 | 60.1 | 0 | 0 | 0 | 113.4 | A1056 K1057 Q1062 T1063 | A1056-L1060 PolarHBondContact O-N 3.44Å; K1057-L1060 PolarHBondContact O-N 2.85Å; L1060-Q1062 VanDerWaalsContact C-N 3.34Å; L1060-T1063 PolarHBondContact O-OG1 3.42Å |
| 1061 | L | 45.8 | Very low | 42.3 | Very low | 109 Ų | 109 | 115.7 Ų | 115.7 | 57% | 0.571 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | -5.9 | 178.7 | -144.4 | 70.8 | 0 | 0 | 0 | 113.5 | V1246 E1247 | L1061-V1246 HydrophobicContact CD2-CG1 3.68Å; L1061-E1247 HydrophobicContact CD2-CG 4.33Å |
| 1062 | Q | 47.9 | Very low | 41.9 | Very low | 168 Ų | 168 | 114.5 Ų | 114.5 | 79% | 0.785 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.5 | -4.3 | -178.5 | -159.4 | 164 | 37.9 | 0 | 0 | 113.5 | L1060 | L1060-Q1062 VanDerWaalsContact C-N 3.34Š|
| 1063 | T | 46.7 | Very low | 41.6 | Very low | 100 Ų | 100 | 121.1 Ų | 121.1 | 61% | 0.613 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -110 | -0.1 | -173.7 | 47.3 | 0 | 0 | 0 | 0 | 114.7 | L1060 | L1060-T1063 PolarHBondContact O-OG1 3.42Š|
| 1064 | A | 39.2 | Very low | 41.6 | Very low | 86 Ų | 86 | 121.2 Ų | 121.2 | 71% | 0.711 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -92.9 | 7.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 1065 | N | 38.9 | Very low | 41.1 | Very low | 166 Ų | 166 | 124.7 Ų | 124.7 | 89% | 0.888 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -133.8 | 41 | -173.8 | -102.9 | -24.7 | 0 | 0 | 0 | 112.6 | | |
| 1066 | A | 31.7 | Very low | 40.4 | Very low | 92 Ų | 92 | 130 Ų | 130 | 76% | 0.76 | 71% | 0.713 | S | S | * | * | | | trans | -157.3 | 129.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 1067 | G | 32.2 | Very low | 39.7 | Very low | 77 Ų | 77 | 133.7 Ų | 133.7 | 79% | 0.794 | 73% | 0.729 | S | S | * | * | | | trans | 86.5 | 151.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 1068 | V | 36 | Very low | 39.6 | Very low | 143 Ų | 143 | 137.4 Ų | 137.4 | 87% | 0.867 | 75% | 0.748 | S | S | * | * | | | cis | -126.5 | 129.5 | 8.8 | 174.8 | 0 | 0 | 0 | 0 | 112.1 | | |
| 1069 | T | 31.9 | Very low | 39.6 | Very low | 123 Ų | 123 | 135.3 Ų | 135.3 | 76% | 0.755 | 75% | 0.748 | S | S | * | * | | | trans | -44.1 | 145.1 | 168.7 | 50.7 | 0 | 0 | 0 | 0 | 117.1 | | |
| 1070 | S | 34.1 | Very low | 39.4 | Very low | 108 Ų | 108 | 137.8 Ų | 137.8 | 76% | 0.755 | 76% | 0.757 | S | S | * | * | | | | -180 | 156.3 | 101.8 | 54.1 | 0 | 0 | 0 | 0 | 115.7 | | |
| 1071 | N | 33.4 | Very low | 39.6 | Very low | 143 Ų | 143 | 141.2 Ų | 141.2 | 77% | 0.765 | 76% | 0.761 | S | S | * | * | | | trans | 65.4 | 90.3 | 154.6 | -74 | -30 | 0 | 0 | 0 | 124 | | |
| 1072 | S | 33.8 | Very low | 39.9 | Very low | 81 Ų | 81 | 142.8 Ų | 142.8 | 57% | 0.566 | 77% | 0.768 | S | S | * | * | | | | 66.3 | 115.1 | 101 | -61.5 | 0 | 0 | 0 | 0 | 122.1 | | |
| 1073 | R | 36.6 | Very low | 39.9 | Very low | 228 Ų | 228 | 138.2 Ų | 138.2 | 86% | 0.86 | 75% | 0.748 | S | S | * | * | | | trans | 75.5 | 137 | 154.3 | -51.1 | 157.3 | -164.8 | 166.6 | 4.2 | 113.6 | | |
| 1074 | D | 44.2 | Very low | 40.3 | Very low | 154 Ų | 154 | 140.5 Ų | 140.5 | 82% | 0.824 | 76% | 0.755 | S | S | * | * | | | cis | -143.8 | -171.6 | 30.2 | -126.5 | -51.9 | 0 | 0 | 0 | 115.4 | | |
| 1075 | Q | 37.7 | Very low | 41.3 | Very low | 154 Ų | 154 | 140.5 Ų | 140.5 | 72% | 0.72 | 75% | 0.75 | S | S | * | * | | | trans | -104.3 | 155.3 | -175.6 | -57.5 | -178.4 | 16.5 | 0 | 0 | 115.9 | | |
| 1076 | R | 33.2 | Very low | 41.9 | Very low | 221 Ų | 221 | 140 Ų | 140 | 83% | 0.834 | 74% | 0.74 | S | S | * | * | | | trans | 102.8 | 159.2 | 148.1 | -56.5 | -171.8 | 173.6 | -154.3 | -2.8 | 119.3 | | |
| 1077 | V | 36.6 | Very low | 42.4 | Very low | 136 Ų | 136 | 144.4 Ų | 144.4 | 82% | 0.824 | 74% | 0.738 | S | S | * | * | | | trans | 75 | 95.8 | 168 | -162.6 | 0 | 0 | 0 | 0 | 116.5 | | |
| 1078 | Q | 43.2 | Very low | 42.9 | Very low | 178 Ų | 178 | 149.8 Ų | 149.8 | 83% | 0.832 | 74% | 0.74 | S | S | * | * | | | trans | -94.3 | 126.5 | 169.3 | -86.4 | -91.6 | -33.8 | 0 | 0 | 111 | K1080 | Q1078-K1080 PolarHBondContact O-N 2.82Š|
| 1079 | P | 49.5 | Very low | 43.6 | Very low | 87 Ų | 87 | 148.5 Ų | 148.5 | 57% | 0.565 | 74% | 0.737 | S | S | * | * | | | trans | -73.2 | 121.7 | 170.6 | 29.5 | -32.4 | 0 | 0 | 0 | 110.7 | Y1081 | P1079-Y1081 HydrophobicContact CB-CE2 4.25Å; P1079-Y1081 HydrophobicContact CG-CE2 4.23Å; P1079-Y1081 PolarHBondContact O-N 3.3Å |
| 1080 | K | 46.7 | Very low | 44.1 | Very low | 201 Ų | 201 | 147.9 Ų | 147.9 | 87% | 0.874 | 74% | 0.744 | S | S | * | * | | | trans | -91 | 81.1 | -166.7 | -171.7 | 176.7 | -179.7 | 174.6 | 0 | 112.5 | Q1078 M1082 | Q1078-K1080 PolarHBondContact O-N 2.82Å; K1080-M1082 PolarHBondContact O-N 2.86Å |
| 1081 | Y | 52.7 | Low | 44.6 | Very low | 210 Ų | 210 | 151.5 Ų | 151.5 | 82% | 0.824 | 75% | 0.749 | S | S | * | * | | | trans | -60.9 | 133.1 | 174.6 | -71.6 | -74.3 | 0 | 0 | 0 | 112.2 | P1079 D1083 | P1079-Y1081 HydrophobicContact CB-CE2 4.25Å; P1079-Y1081 HydrophobicContact CG-CE2 4.23Å; P1079-Y1081 PolarHBondContact O-N 3.3Å; Y1081-D1083 PolarHBondContact O-N 3.17Å |
| 1082 | M | 51.2 | Low | 45 | Very low | 143 Ų | 143 | 149 Ų | 149 | 70% | 0.704 | 74% | 0.743 | S | S | * | * | | | trans | -93.9 | 97.4 | -160.5 | -172.9 | 153.8 | 53.3 | 0 | 0 | 111.4 | K1080 I1084 | K1080-M1082 PolarHBondContact O-N 2.86Å; M1082-I1084 PolarHBondContact O-N 2.86Å |
| 1083 | D | 49 | Very low | 45.3 | Very low | 71 Ų | 71 | 150.5 Ų | 150.5 | 38% | 0.38 | 75% | 0.745 | S | S | . | * | | | trans | -47.5 | 100.2 | -179.8 | 169.2 | 15.1 | 0 | 0 | 0 | 113.9 | Y1081 S1085 K1086 | Y1081-D1083 PolarHBondContact O-N 3.17Å; D1083-S1085 VanDerWaalsContact CG-OG 3.25Å; D1083-S1085 PolarHBondContact O-N 3.39Å; D1083-S1085 VanDerWaalsContact O-N 3.14Å; D1083-S1085 WeakPolarHBondContact OD1-CB 3.4Å; D1083-S1085 PolarHBondContact OD1-N 2.88Å; D1083-S1085 PolarHBondContact OD1-OG 2.82Å; D1083-S1085 PolarHBondContact OD2-OG 3.37Å; D1083-K1086 HydrophobicContact CB-CD 4.08Å; D1083-K1086 WeakPolarHBondContact O-CB 3.4Å; D1083-K1086 PolarHBondContact O-N 2.95Å; D1083-K1086 WeakPolarHBondContact OD2-CE 3.47Å; D1083-K1086 IonicContact OD2-NZ 3.49Å; D1083-K1086 PolarHBondContact OD2-NZ 2.99Å |
| 1084 | I | 55.2 | Low | 45.6 | Very low | 149 Ų | 149 | 147.4 Ų | 147.4 | 76% | 0.764 | 75% | 0.745 | S | S | * | * | G | 310 helix | trans | -66.5 | -6.9 | -178.7 | 52.6 | 174.3 | 0 | 0 | 0 | 114.4 | M1082 K1086 Y1087 | M1082-I1084 PolarHBondContact O-N 2.86Å; I1084-K1086 PolarHBondContact O-N 2.9Å; I1084-Y1087 PolarHBondContact O-N 3.35Å |
| 1085 | S | 58.9 | Low | 45.5 | Very low | 86 Ų | 86 | 149.7 Ų | 149.7 | 60% | 0.601 | 75% | 0.748 | S | S | * | * | G | 310 helix | trans | -66.1 | -14.9 | 169.3 | 76.5 | 0 | 0 | 0 | 0 | 113.1 | D1083 | D1083-S1085 VanDerWaalsContact CG-OG 3.25Å; D1083-S1085 PolarHBondContact O-N 3.39Å; D1083-S1085 VanDerWaalsContact O-N 3.14Å; D1083-S1085 WeakPolarHBondContact OD1-CB 3.4Å; D1083-S1085 PolarHBondContact OD1-N 2.88Å; D1083-S1085 PolarHBondContact OD1-OG 2.82Å; D1083-S1085 PolarHBondContact OD2-OG 3.37Å |
| 1086 | K | 51.6 | Low | 45.8 | Very low | 154 Ų | 154 | 147.8 Ų | 147.8 | 67% | 0.67 | 74% | 0.743 | S | S | * | * | G | 310 helix | trans | -84.1 | -12.7 | -176.5 | -69.6 | 160.1 | 176.1 | 140.4 | 0 | 114.2 | D1083 I1084 | D1083-K1086 HydrophobicContact CB-CD 4.08Å; D1083-K1086 WeakPolarHBondContact O-CB 3.4Å; D1083-K1086 PolarHBondContact O-N 2.95Å; D1083-K1086 WeakPolarHBondContact OD2-CE 3.47Å; D1083-K1086 IonicContact OD2-NZ 3.49Å; D1083-K1086 PolarHBondContact OD2-NZ 2.99Å; I1084-K1086 PolarHBondContact O-N 2.9Å |
| 1087 | Y | 42.1 | Very low | 46.3 | Very low | 186 Ų | 186 | 148 Ų | 148 | 73% | 0.729 | 74% | 0.743 | S | S | * | * | | | trans | -101.9 | 80.5 | 172.3 | -69.7 | -72.1 | 0 | 0 | 0 | 111.3 | I1084 | I1084-Y1087 PolarHBondContact O-N 3.35Š|
| 1088 | K | 43.7 | Very low | 46.7 | Very low | 190 Ų | 190 | 150.7 Ų | 150.7 | 83% | 0.826 | 74% | 0.744 | S | S | * | * | | | trans | -131.6 | 96.3 | 172.6 | -153 | 160.2 | -169.7 | 164.9 | 0 | 109.8 | | |
| 1089 | S | 51 | Low | 46.6 | Very low | 115 Ų | 115 | 147.8 Ų | 147.8 | 80% | 0.804 | 73% | 0.734 | S | S | * | * | | | trans | -66.9 | 156.2 | -172.9 | 50.4 | 0 | 0 | 0 | 0 | 113 | Q1091 | S1089-Q1091 PolarHBondContact O-N 2.97Š|
| 1090 | A | 41.4 | Very low | 46.3 | Very low | 110 Ų | 110 | 152.6 Ų | 152.6 | 91% | 0.909 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -87.1 | 60.5 | -158.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 1091 | Q | 44.8 | Very low | 46.1 | Very low | 185 Ų | 185 | 146.7 Ų | 146.7 | 86% | 0.864 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -147.4 | 96.8 | 173.3 | -146.5 | 167.1 | -26.2 | 0 | 0 | 112.6 | S1089 | S1089-Q1091 PolarHBondContact O-N 2.97Š|
| 1092 | S | 41.9 | Very low | 45.6 | Very low | 90 Ų | 90 | 145.9 Ų | 145.9 | 63% | 0.629 | 74% | 0.744 | S | S | * | * | S | Bend | trans | 168.6 | -36.5 | 163.9 | 39.7 | 0 | 0 | 0 | 0 | 113.1 | N1094 | S1092-N1094 VanDerWaalsContact C-N 3.33Å; S1092-N1094 PolarHBondContact O-N 3.17Å |
| 1093 | N | 40.8 | Very low | 45.1 | Very low | 112 Ų | 112 | 144.2 Ų | 144.2 | 60% | 0.599 | 75% | 0.747 | S | S | * | * | G | 310 helix | trans | -87.1 | 12.3 | -165.7 | -81.9 | -96.1 | 0 | 0 | 0 | 115.5 | F1095 L1096 | N1093-F1095 PolarHBondContact O-N 3.02Å; N1093-L1096 HydrophobicContact CB-CD1 4.35Å; N1093-L1096 PolarHBondContact O-N 2.99Å |
| 1094 | N | 43.2 | Very low | 44.4 | Very low | 163 Ų | 163 | 145.8 Ų | 145.8 | 87% | 0.872 | 76% | 0.759 | S | S | * | * | G | 310 helix | trans | -75.7 | 6.1 | 178.5 | -89.2 | -5.6 | 0 | 0 | 0 | 114.9 | S1092 | S1092-N1094 VanDerWaalsContact C-N 3.33Å; S1092-N1094 PolarHBondContact O-N 3.17Å |
| 1095 | F | 41.3 | Very low | 43.5 | Very low | 202 Ų | 202 | 144.2 Ų | 144.2 | 89% | 0.886 | 75% | 0.752 | S | S | * | * | G | 310 helix | trans | -98.4 | 7.4 | 167.9 | -68.5 | -72 | 0 | 0 | 0 | 113.9 | N1093 R1097 | N1093-F1095 PolarHBondContact O-N 3.02Å; F1095-R1097 PolarHBondContact O-N 3.2Å |
| 1096 | L | 44.5 | Very low | 42.5 | Very low | 115 Ų | 115 | 148.1 Ų | 148.1 | 60% | 0.602 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -67 | 115.2 | 160.1 | -91.9 | 78.6 | 0 | 0 | 0 | 109.6 | N1093 | N1093-L1096 HydrophobicContact CB-CD1 4.35Å; N1093-L1096 PolarHBondContact O-N 2.99Å |
| 1097 | R | 42.9 | Very low | 42 | Very low | 226 Ų | 226 | 145.2 Ų | 145.2 | 85% | 0.853 | 76% | 0.755 | S | S | * | * | S | Bend | trans | 69.4 | 83.8 | 168.2 | -46.5 | 163.1 | -177.1 | 163.7 | -3.2 | 115.4 | F1095 | F1095-R1097 PolarHBondContact O-N 3.2Š|
| 1098 | K | 45.6 | Very low | 41.7 | Very low | 192 Ų | 192 | 141 Ų | 141 | 84% | 0.835 | 76% | 0.759 | S | S | * | * | | | trans | -168.8 | 133.1 | 138.2 | -101.3 | 140.6 | -169.1 | 177.6 | 0 | 112.3 | | |
| 1099 | N | 41.8 | Very low | 41.5 | Very low | 116 Ų | 116 | 139.1 Ų | 139.1 | 62% | 0.62 | 76% | 0.758 | S | S | * | * | | | trans | 68 | 67.4 | 157.8 | -54.2 | -22 | 0 | 0 | 0 | 119 | A1101 | N1099-A1101 HydrophobicContact CB-CB 4.43Å; N1099-A1101 PolarHBondContact O-N 2.88Å |
| 1100 | D | 43.1 | Very low | 40.9 | Very low | 188 Ų | 188 | 140.2 Ų | 140.2 | 100% | 1.005 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.7 | 42 | 148.1 | -67.3 | -68.8 | 0 | 0 | 0 | 112.1 | | |
| 1101 | A | 42.6 | Very low | 40.7 | Very low | 78 Ų | 78 | 141.5 Ų | 141.5 | 65% | 0.645 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137.6 | 5.9 | -165.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | N1099 | N1099-A1101 HydrophobicContact CB-CB 4.43Å; N1099-A1101 PolarHBondContact O-N 2.88Å |
| 1102 | K | 41.6 | Very low | 40.7 | Very low | 192 Ų | 192 | 140.7 Ų | 140.7 | 84% | 0.835 | 73% | 0.732 | S | S | * | * | | | trans | -135.3 | 65.2 | -179.8 | -70 | -163.4 | 174.6 | -171 | 0 | 113 | | |
| 1103 | S | 40 | Very low | 40.7 | Very low | 108 Ų | 108 | 147.8 Ų | 147.8 | 76% | 0.755 | 75% | 0.745 | S | S | * | * | | | trans | -134.7 | 140.6 | 157.6 | -172 | 0 | 0 | 0 | 0 | 110.2 | | |
| 1104 | T | 35.1 | Very low | 40.6 | Very low | 105 Ų | 105 | 148 Ų | 148 | 64% | 0.644 | 76% | 0.756 | S | S | * | * | S | Bend | trans | 87.7 | 74.7 | 175.7 | 72.3 | 0 | 0 | 0 | 0 | 120.9 | | |
| 1105 | L | 35.5 | Very low | 40.7 | Very low | 116 Ų | 116 | 145.7 Ų | 145.7 | 61% | 0.607 | 75% | 0.75 | S | S | * | * | | | trans | 71.2 | 122.8 | 151 | -67.6 | 73.7 | 0 | 0 | 0 | 119.6 | K90 | K90-L1105 HydrophobicContact CD-CD2 4.34Š|
| 1106 | K | 37.2 | Very low | 40.6 | Very low | 168 Ų | 168 | 141.8 Ų | 141.8 | 73% | 0.73 | 75% | 0.747 | S | S | * | * | | | | -113.7 | 136.2 | 109.7 | -89.3 | -87.5 | -172.7 | 171.9 | 0 | 107.3 | E94 | E94-K1106 IonicContact OE1-NZ 3.29Å; E94-K1106 PolarHBondContact OE1-NZ 3.12Å |
| 1107 | P | 41.8 | Very low | 40.3 | Very low | 92 Ų | 92 | 141 Ų | 141 | 60% | 0.597 | 76% | 0.757 | S | S | * | * | | | trans | -91.5 | 170.6 | 179.6 | 37.4 | -35.2 | 0 | 0 | 0 | 112.9 | | |
| 1108 | A | 35.9 | Very low | 40.1 | Very low | 98 Ų | 98 | 135.2 Ų | 135.2 | 81% | 0.81 | 75% | 0.752 | S | S | * | * | | | trans | 17.5 | 125 | 154.8 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 1109 | D | 38.8 | Very low | 40 | Very low | 151 Ų | 151 | 131.4 Ų | 131.4 | 81% | 0.807 | 75% | 0.749 | S | S | * | * | | | trans | -147.7 | 173.5 | 133.3 | -146.4 | -24.8 | 0 | 0 | 0 | 110.5 | | |
| 1110 | Q | 38.4 | Very low | 39.9 | Very low | 138 Ų | 138 | 134.6 Ų | 134.6 | 65% | 0.645 | 76% | 0.762 | S | S | * | * | | | trans | 73.3 | 82.6 | 173.9 | -56.7 | -63.6 | -23.5 | 0 | 0 | 118.5 | | |
| 1111 | M | 38.8 | Very low | 39.7 | Very low | 136 Ų | 136 | 129 Ų | 129 | 67% | 0.67 | 75% | 0.748 | S | S | * | * | | | | 81.2 | 128.8 | 126.7 | -69.1 | -161.7 | -174.9 | 0 | 0 | 124.3 | | |
| 1112 | K | 44.6 | Very low | 39.9 | Very low | 168 Ų | 168 | 134.1 Ų | 134.1 | 73% | 0.73 | 76% | 0.764 | S | S | * | * | | | trans | 66.8 | 96.9 | 140 | -63.5 | 163.6 | -176 | 164.3 | 0 | 117.4 | | |
| 1113 | R | 41.4 | Very low | 39.7 | Very low | 240 Ų | 240 | 129.5 Ų | 129.5 | 91% | 0.906 | 76% | 0.756 | S | S | * | * | | | | 75.1 | 96.7 | 75.2 | -71.1 | 177.1 | 177.8 | -112 | 2.1 | 115 | | |
| 1114 | S | 38.2 | Very low | 39.7 | Very low | 116 Ų | 116 | 135.8 Ų | 135.8 | 81% | 0.811 | 76% | 0.763 | S | S | * | * | | | | 25.1 | 153.3 | 129.3 | -41.4 | 0 | 0 | 0 | 0 | 121.2 | | |
| 1115 | P | 44.8 | Very low | 39.8 | Very low | 115 Ų | 115 | 133.7 Ų | 133.7 | 75% | 0.747 | 76% | 0.762 | S | S | * | * | | | cis | -151.9 | 169.5 | 31.1 | 43.6 | -22.8 | 0 | 0 | 0 | 121.1 | | |
| 1116 | S | 38.9 | Very low | 39.6 | Very low | 120 Ų | 120 | 137.2 Ų | 137.2 | 84% | 0.839 | 78% | 0.776 | S | S | * | * | | | trans | 54 | 109.2 | 141.1 | -61.3 | 0 | 0 | 0 | 0 | 124.8 | | |
| 1117 | A | 38.9 | Very low | 39.9 | Very low | 97 Ų | 97 | 132.8 Ų | 132.8 | 80% | 0.802 | 78% | 0.778 | S | S | * | * | | | trans | -173.7 | 136.5 | 133.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 1118 | S | 40 | Very low | 39.9 | Very low | 106 Ų | 106 | 134.5 Ų | 134.5 | 74% | 0.741 | 79% | 0.787 | S | S | * | * | | | cis | -156.6 | 156.9 | -9.3 | -75.1 | 0 | 0 | 0 | 0 | 110 | | |
| 1119 | S | 42.7 | Very low | 40.1 | Very low | 112 Ų | 112 | 141.3 Ų | 141.3 | 78% | 0.783 | 79% | 0.792 | S | S | * | * | | | trans | 46.4 | 132.9 | 152.7 | 57 | 0 | 0 | 0 | 0 | 121.9 | | |
| 1120 | M | 39.4 | Very low | 40.3 | Very low | 183 Ų | 183 | 138.8 Ų | 138.8 | 90% | 0.901 | 79% | 0.792 | S | S | * | * | | | cis | -144 | 157.3 | -12.9 | -69.4 | -143.9 | -68.8 | 0 | 0 | 107.4 | | |
| 1121 | G | 38.6 | Very low | 40.1 | Very low | 69 Ų | 69 | 137.5 Ų | 137.5 | 71% | 0.711 | 80% | 0.798 | S | S | * | * | | | | 71.6 | 120.1 | 88.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 1122 | L | 46.7 | Very low | 39.8 | Very low | 186 Ų | 186 | 138.6 Ų | 138.6 | 97% | 0.974 | 81% | 0.807 | S | S | * | * | | | cis | -124.8 | 174 | 19.3 | -67.5 | 169.7 | 0 | 0 | 0 | 113.3 | | |
| 1123 | S | 37.3 | Very low | 39.8 | Very low | 95 Ų | 95 | 142 Ų | 142 | 66% | 0.664 | 82% | 0.815 | S | S | * | * | | | trans | -154.2 | 149.9 | -169.1 | 67.9 | 0 | 0 | 0 | 0 | 114.3 | | |
| 1124 | R | 39.9 | Very low | 39.4 | Very low | 240 Ų | 240 | 135.2 Ų | 135.2 | 91% | 0.906 | 80% | 0.804 | S | S | * | * | | | trans | 70.1 | 151.9 | 166.1 | -58.4 | 162.3 | 173.5 | 159.6 | -3.7 | 115.2 | | |
| 1125 | G | 37.4 | Very low | 39.2 | Very low | 61 Ų | 61 | 135.1 Ų | 135.1 | 63% | 0.629 | 80% | 0.799 | S | S | * | * | | | cis | 130.3 | 153.1 | -1.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 1126 | E | 31.4 | Very low | 38.7 | Very low | 191 Ų | 191 | 140.7 Ų | 140.7 | 89% | 0.893 | 81% | 0.805 | S | S | * | * | | | trans | 55.5 | 114.3 | 176.5 | -98 | 50.3 | -131.4 | 0 | 0 | 117.8 | | |
| 1127 | G | 44 | Very low | 38.5 | Very low | 75 Ų | 75 | 140.7 Ų | 140.7 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | | | trans | -149.1 | 26.2 | -166.5 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 1128 | T | 42 | Very low | 38.5 | Very low | 128 Ų | 128 | 140.3 Ų | 140.3 | 79% | 0.785 | 80% | 0.801 | S | S | * | * | | | trans | 53.1 | 94.7 | 151.6 | -50.9 | 0 | 0 | 0 | 0 | 120.1 | | |
| 1129 | R | 39.5 | Very low | 38.2 | Very low | 240 Ų | 240 | 140 Ų | 140 | 91% | 0.906 | 81% | 0.806 | S | S | * | * | | | | 49.6 | 86.5 | 122.1 | -169.2 | -156.9 | -168.6 | -160.6 | 6.6 | 118.9 | | |
| 1130 | A | 42.7 | Very low | 38 | Very low | 98 Ų | 98 | 140.7 Ų | 140.7 | 81% | 0.81 | 81% | 0.81 | S | S | * | * | | | trans | -141 | 118.7 | 148.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 1131 | S | 35 | Very low | 37.7 | Very low | 111 Ų | 111 | 136 Ų | 136 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | | | cis | 69.6 | 124.2 | 39.9 | -163.2 | 0 | 0 | 0 | 0 | 114 | | |
| 1132 | N | 32.6 | Very low | 37.7 | Very low | 160 Ų | 160 | 141.6 Ų | 141.6 | 86% | 0.856 | 81% | 0.811 | S | S | * | * | | | trans | -64.1 | 165.7 | 178 | -65.2 | -75.1 | 0 | 0 | 0 | 112.8 | | |
| 1133 | R | 43.7 | Very low | 37.5 | Very low | 238 Ų | 238 | 139.7 Ų | 139.7 | 90% | 0.898 | 80% | 0.801 | S | S | * | * | | | trans | 109.5 | 75.3 | 147.3 | -155.4 | -177.5 | -159.4 | -176.1 | 5.6 | 118.4 | | |
| 1134 | S | 34.7 | Very low | 37.6 | Very low | 98 Ų | 98 | 140.4 Ų | 140.4 | 69% | 0.685 | 80% | 0.802 | S | S | * | * | | | | 72.6 | 151.4 | 111.5 | -157.5 | 0 | 0 | 0 | 0 | 121.5 | | |
| 1135 | V | 33.6 | Very low | 37.6 | Very low | 114 Ų | 114 | 133.8 Ų | 133.8 | 69% | 0.691 | 79% | 0.793 | S | S | * | * | | | trans | 59.7 | 123.2 | 161.8 | -75.1 | 0 | 0 | 0 | 0 | 121.5 | | |
| 1136 | R | 33.4 | Very low | 37.7 | Very low | 233 Ų | 233 | 136.5 Ų | 136.5 | 88% | 0.879 | 80% | 0.797 | S | S | * | * | | | trans | 54.7 | 126.9 | 135.8 | -59.3 | 171.2 | 167 | -170.2 | -7.1 | 117.1 | | |
| 1137 | S | 35 | Very low | 38.2 | Very low | 119 Ų | 119 | 133.7 Ų | 133.7 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | | | | -166.3 | 179.5 | 50.1 | -48.6 | 0 | 0 | 0 | 0 | 108.4 | | |
| 1138 | A | 39.7 | Very low | 38 | Very low | 89 Ų | 89 | 134.7 Ų | 134.7 | 74% | 0.736 | 79% | 0.788 | S | S | * | * | | | cis | -143.1 | 153.4 | 0.7 | 0 | 0 | 0 | 0 | 0 | 106.8 | | |
| 1139 | A | 32.8 | Very low | 38.1 | Very low | 101 Ų | 101 | 137.1 Ų | 137.1 | 84% | 0.835 | 80% | 0.795 | S | S | * | * | | | cis | 77.5 | 75.2 | 36.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 1140 | S | 37.9 | Very low | 37.8 | Very low | 125 Ų | 125 | 129.6 Ų | 129.6 | 87% | 0.874 | 79% | 0.792 | S | S | * | * | | | trans | -162.6 | 146 | 153.4 | -163.4 | 0 | 0 | 0 | 0 | 111.1 | | |
| 1141 | A | 33.4 | Very low | 37.3 | Very low | 85 Ų | 85 | 129.2 Ų | 129.2 | 70% | 0.702 | 80% | 0.799 | S | S | * | * | | | cis | -169.5 | 108 | -40.8 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 1142 | M | 39.4 | Very low | 37.4 | Very low | 187 Ų | 187 | 127.4 Ų | 127.4 | 92% | 0.921 | 80% | 0.797 | S | S | * | * | | | trans | -152.9 | 94.6 | 162.5 | -79.4 | -157.8 | 168.9 | 0 | 0 | 112.1 | | |
| 1143 | N | 41.3 | Very low | 37.6 | Very low | 145 Ų | 145 | 127.6 Ų | 127.6 | 78% | 0.775 | 80% | 0.798 | S | S | * | * | | | | -174.2 | 125.2 | 109.1 | -115.6 | -6.7 | 0 | 0 | 0 | 113.4 | | |
| 1144 | T | 40.8 | Very low | 37.5 | Very low | 111 Ų | 111 | 121.7 Ų | 121.7 | 68% | 0.681 | 79% | 0.791 | S | S | * | * | | | trans | 38.9 | 113.9 | 140.4 | 58.3 | 0 | 0 | 0 | 0 | 121.5 | | |
| 1145 | S | 39.2 | Very low | 37.6 | Very low | 101 Ų | 101 | 120 Ų | 120 | 71% | 0.706 | 79% | 0.788 | S | S | * | * | | | | 102.6 | 109.3 | 125.7 | -59.6 | 0 | 0 | 0 | 0 | 121.5 | | |
| 1146 | T | 40.3 | Very low | 37.7 | Very low | 117 Ų | 117 | 120.4 Ų | 120.4 | 72% | 0.718 | 80% | 0.797 | S | S | * | * | | | trans | 65.3 | 121.3 | 130.6 | 58.9 | 0 | 0 | 0 | 0 | 121.8 | | |
| 1147 | T | 41 | Very low | 37.9 | Very low | 133 Ų | 133 | 120.1 Ų | 120.1 | 82% | 0.816 | 80% | 0.796 | S | S | * | * | | | trans | 64.2 | 144.4 | 146.7 | 56.4 | 0 | 0 | 0 | 0 | 118.9 | | |
| 1148 | S | 41.1 | Very low | 38.1 | Very low | 96 Ų | 96 | 122 Ų | 122 | 67% | 0.671 | 80% | 0.796 | S | S | * | * | | | cis | -166.9 | 150.9 | -14.7 | 48.1 | 0 | 0 | 0 | 0 | 109.8 | | |
| 1149 | L | 42.2 | Very low | 38.4 | Very low | 178 Ų | 178 | 121.2 Ų | 121.2 | 93% | 0.932 | 79% | 0.785 | S | S | * | * | | | trans | 36.1 | 119.2 | 150.7 | -65.8 | 165.4 | 0 | 0 | 0 | 119.8 | | |
| 1150 | G | 33.7 | Very low | 39.2 | Very low | 82 Ų | 82 | 120.4 Ų | 120.4 | 85% | 0.845 | 77% | 0.774 | S | S | * | * | | | trans | 146.6 | 107.9 | 155.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 1151 | G | 32.7 | Very low | 39.7 | Very low | 91 Ų | 91 | 116.9 Ų | 116.9 | 94% | 0.938 | 75% | 0.752 | S | S | * | * | | | trans | -89.3 | 138.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 1152 | G | 37.3 | Very low | 40.7 | Very low | 73 Ų | 73 | 119.5 Ų | 119.5 | 75% | 0.753 | 75% | 0.753 | S | S | * | * | | | trans | -175.5 | 122.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | P1154 | G1152-P1154 WeakPolarHBondContact O-CD 3.43Š|
| 1153 | N | 36.6 | Very low | 41.2 | Very low | 163 Ų | 163 | 119.8 Ų | 119.8 | 87% | 0.872 | 74% | 0.744 | S | S | * | * | | | trans | -94.5 | 121.5 | -177.6 | 178 | 21.5 | 0 | 0 | 0 | 111.3 | | |
| 1154 | P | 41.4 | Very low | 41.8 | Very low | 114 Ų | 114 | 119.9 Ų | 119.9 | 74% | 0.74 | 73% | 0.733 | S | S | * | * | | | trans | -141.7 | 140.3 | 146.6 | 36.1 | -21.3 | 0 | 0 | 0 | 115.6 | G1152 | G1152-P1154 WeakPolarHBondContact O-CD 3.43Š|
| 1155 | G | 37 | Very low | 42.4 | Very low | 62 Ų | 62 | 119.1 Ų | 119.1 | 64% | 0.639 | 73% | 0.725 | S | S | * | * | | | | 85.8 | 70.5 | 125.7 | 0 | 0 | 0 | 0 | 0 | 119.8 | R1157 | G1155-R1157 PolarHBondContact O-N 2.79Š|
| 1156 | S | 36 | Very low | 43.7 | Very low | 124 Ų | 124 | 117.6 Ų | 117.6 | 87% | 0.867 | 72% | 0.718 | S | S | * | * | | | trans | 21.4 | 92.9 | 134.2 | -171.7 | 0 | 0 | 0 | 0 | 117.9 | | |
| 1157 | R | 37.1 | Very low | 45.1 | Very low | 227 Ų | 227 | 115.5 Ų | 115.5 | 86% | 0.857 | 71% | 0.708 | S | S | * | * | | | trans | -157.5 | -3.8 | 163.9 | -114.1 | 146.7 | -165.1 | -167.1 | 2.7 | 119.5 | G1155 S1159 | G1155-R1157 PolarHBondContact O-N 2.79Å; R1157-S1159 PolarHBondContact O-N 3.22Å |
| 1158 | N | 40.4 | Very low | 46.6 | Very low | 157 Ų | 157 | 113.4 Ų | 113.4 | 84% | 0.84 | 70% | 0.695 | S | S | * | * | | | trans | -105.4 | 73.4 | -169.5 | -65 | 37.4 | 0 | 0 | 0 | 112.7 | | |
| 1159 | S | 44.6 | Very low | 48.3 | Very low | 73 Ų | 73 | 114.4 Ų | 114.4 | 51% | 0.51 | 69% | 0.693 | S | S | . | * | | | trans | -152.6 | 29.1 | -178.9 | -57.6 | 0 | 0 | 0 | 0 | 115.9 | R1157 R1163 | R1157-S1159 PolarHBondContact O-N 3.22Å; S1159-R1163 WeakPolarHBondContact O-CD 3.45Å; S1159-R1163 WeakPolarHBondContact O-CG 3.43Å; S1159-R1163 PolarHBondContact O-NE 3.41Å |
| 1160 | S | 49.6 | Very low | 50.2 | Low | 84 Ų | 84 | 113.1 Ų | 113.1 | 59% | 0.587 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -103.4 | -14.1 | -175.6 | 58.7 | 0 | 0 | 0 | 0 | 115.7 | | |
| 1161 | A | 48.5 | Very low | 52.6 | Low | 52 Ų | 52 | 115.6 Ų | 115.6 | 43% | 0.43 | 67% | 0.67 | S | S | . | * | S | Bend | trans | -79.3 | -65.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | R1163 R1164 | A1161-R1163 PolarHBondContact O-N 3.43Å; A1161-R1164 WeakPolarHBondContact O-CB 3.2Å; A1161-R1164 PolarHBondContact O-N 3.48Å |
| 1162 | I | 53.8 | Low | 55.3 | Low | 139 Ų | 139 | 117.9 Ų | 117.9 | 71% | 0.713 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -52.2 | -24.7 | -175.9 | -61.1 | 164 | 0 | 0 | 0 | 113.8 | D1165 | I1162-D1165 WeakPolarHBondContact CA-OD2 3.23Å |
| 1163 | R | 50.9 | Low | 57.7 | Low | 193 Ų | 193 | 120.9 Ų | 120.9 | 73% | 0.728 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -76.5 | -16.8 | 176.5 | -64.3 | -172.7 | -169.5 | -132.3 | 1.4 | 114.1 | S1159 A1161 | S1159-R1163 WeakPolarHBondContact O-CD 3.45Å; S1159-R1163 WeakPolarHBondContact O-CG 3.43Å; S1159-R1163 PolarHBondContact O-NE 3.41Å; A1161-R1163 PolarHBondContact O-N 3.43Å |
| 1164 | R | 53.5 | Low | 60.2 | Low | 148 Ų | 148 | 115.5 Ų | 115.5 | 56% | 0.558 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -79.6 | -41.6 | 175.5 | -57.6 | -165.4 | -155 | 100.9 | 0.1 | 111.4 | A1161 A1166 S1167 V1168 | A1161-R1164 WeakPolarHBondContact O-CB 3.2Å; A1161-R1164 PolarHBondContact O-N 3.48Å; R1164-A1166 VanDerWaalsContact C-N 3.31Å; R1164-A1166 PolarHBondContact O-N 2.93Å; R1164-S1167 WeakPolarHBondContact O-CA 3.31Å; R1164-S1167 WeakPolarHBondContact O-CB 3.35Å; R1164-S1167 PolarHBondContact O-N 2.81Å; R1164-S1167 PolarHBondContact O-OG 3.32Å; R1164-V1168 PolarHBondContact O-N 3.43Å |
| 1165 | D | 54.6 | Low | 62.6 | Low | 95 Ų | 95 | 115.6 Ų | 115.6 | 51% | 0.508 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -63.9 | -38.9 | -171.2 | -44 | -44.8 | 0 | 0 | 0 | 111.2 | I1162 S1167 V1168 N1169 | I1162-D1165 WeakPolarHBondContact CA-OD2 3.23Å; D1165-S1167 VanDerWaalsContact C-N 3.27Å; D1165-S1167 PolarHBondContact O-N 2.85Å; D1165-V1168 PolarHBondContact O-N 3.14Å; D1165-N1169 PolarHBondContact O-N 2.95Å |
| 1166 | A | 65.9 | Low | 65.1 | Low | 68 Ų | 68 | 117.2 Ų | 117.2 | 56% | 0.562 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -60.3 | -31.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | R1164 K1170 | R1164-A1166 VanDerWaalsContact C-N 3.31Å; R1164-A1166 PolarHBondContact O-N 2.93Å; A1166-K1170 WeakPolarHBondContact O-CB 3.37Å; A1166-K1170 PolarHBondContact O-N 3.19Å |
| 1167 | S | 69.7 | Low | 67.7 | Low | 73 Ų | 73 | 113.5 Ų | 113.5 | 51% | 0.51 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -78.9 | -33.8 | 175.4 | 73.7 | 0 | 0 | 0 | 0 | 112.7 | R1164 D1165 K1170 Q1171 | R1164-S1167 WeakPolarHBondContact O-CA 3.31Å; R1164-S1167 WeakPolarHBondContact O-CB 3.35Å; R1164-S1167 PolarHBondContact O-N 2.81Å; R1164-S1167 PolarHBondContact O-OG 3.32Å; D1165-S1167 VanDerWaalsContact C-N 3.27Å; D1165-S1167 PolarHBondContact O-N 2.85Å; S1167-K1170 PolarHBondContact O-N 2.83Å; S1167-Q1171 PolarHBondContact O-N 3.15Å |
| 1168 | V | 71.4 | Confident | 70.2 | Confident | 89 Ų | 89 | 108.2 Ų | 108.2 | 54% | 0.539 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -68.8 | -45.9 | 175.8 | 176.9 | 0 | 0 | 0 | 0 | 110.8 | R1164 D1165 K1170 Q1171 K1172 | R1164-V1168 PolarHBondContact O-N 3.43Å; D1165-V1168 PolarHBondContact O-N 3.14Å; V1168-K1170 VanDerWaalsContact C-N 3.33Å; V1168-K1170 PolarHBondContact O-N 3.36Å; V1168-Q1171 WeakPolarHBondContact O-CB 3.3Å; V1168-Q1171 PolarHBondContact O-N 3.38Å; V1168-Q1171 VanDerWaalsContact O-N 3.15Å; V1168-K1172 PolarHBondContact O-N 2.85Å |
| 1169 | N | 76.9 | Confident | 72.5 | Confident | 117 Ų | 117 | 109.4 Ų | 109.4 | 63% | 0.626 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -61 | -41 | 175 | -94.4 | -3.8 | 0 | 0 | 0 | 112.1 | D1165 Q1171 K1172 E1173 | D1165-N1169 PolarHBondContact O-N 2.95Å; N1169-Q1171 VanDerWaalsContact C-N 3.3Å; N1169-Q1171 PolarHBondContact O-N 3.3Å; N1169-K1172 PolarHBondContact O-N 2.89Å; N1169-E1173 WeakPolarHBondContact O-CB 3.36Å; N1169-E1173 PolarHBondContact O-N 3.46Å |
| 1170 | K | 83.4 | Confident | 74.7 | Confident | 151 Ų | 151 | 112.2 Ų | 112.2 | 66% | 0.657 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -67.1 | -29.8 | 176.2 | -168.1 | 163.4 | -172.5 | 165.7 | 0 | 113.1 | A1166 S1167 V1168 A1174 | A1166-K1170 WeakPolarHBondContact O-CB 3.37Å; A1166-K1170 PolarHBondContact O-N 3.19Å; S1167-K1170 PolarHBondContact O-N 2.83Å; V1168-K1170 VanDerWaalsContact C-N 3.33Å; V1168-K1170 PolarHBondContact O-N 3.36Å; K1170-A1174 WeakPolarHBondContact O-CB 3.37Å; K1170-A1174 PolarHBondContact O-N 2.87Å; K1170-A1174 VanDerWaalsContact O-N 3.16Å |
| 1171 | Q | 83.4 | Confident | 76.6 | Confident | 134 Ų | 134 | 117.3 Ų | 117.3 | 63% | 0.626 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -69.1 | -45.9 | 170.2 | -171 | -178.5 | -56 | 0 | 0 | 111.2 | S1167 V1168 N1169 E1173 A1174 E1175 | S1167-Q1171 PolarHBondContact O-N 3.15Å; V1168-Q1171 WeakPolarHBondContact O-CB 3.3Å; V1168-Q1171 PolarHBondContact O-N 3.38Å; V1168-Q1171 VanDerWaalsContact O-N 3.15Å; N1169-Q1171 VanDerWaalsContact C-N 3.3Å; N1169-Q1171 PolarHBondContact O-N 3.3Å; Q1171-E1173 VanDerWaalsContact C-N 3.33Å; Q1171-E1173 PolarHBondContact O-N 3.45Å; Q1171-A1174 PolarHBondContact O-N 3.01Å; Q1171-E1175 WeakPolarHBondContact O-CB 3.11Å; Q1171-E1175 PolarHBondContact O-N 3.37Å |
| 1172 | K | 88.7 | Confident | 78.4 | Confident | 140 Ų | 140 | 124.9 Ų | 124.9 | 61% | 0.609 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -62.3 | -37.4 | 177.9 | -170.5 | 175.9 | -178.7 | 178.8 | 0 | 112.5 | V1168 N1169 E1175 M1176 | V1168-K1172 PolarHBondContact O-N 2.85Å; N1169-K1172 PolarHBondContact O-N 2.89Å; K1172-E1175 PolarHBondContact O-N 3.23Å; K1172-M1176 WeakPolarHBondContact O-CB 3.35Å; K1172-M1176 PolarHBondContact O-N 3.47Å |
| 1173 | E | 88.1 | Confident | 80 | Confident | 135 Ų | 135 | 122.5 Ų | 122.5 | 63% | 0.631 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -63.7 | -47.5 | 172.4 | -172.9 | -168.6 | 175.1 | 0 | 0 | 111.7 | N1169 Q1171 E1175 M1176 A1177 | N1169-E1173 WeakPolarHBondContact O-CB 3.36Å; N1169-E1173 PolarHBondContact O-N 3.46Å; Q1171-E1173 VanDerWaalsContact C-N 3.33Å; Q1171-E1173 PolarHBondContact O-N 3.45Å; E1173-E1175 VanDerWaalsContact C-N 3.31Å; E1173-E1175 PolarHBondContact O-N 3.22Å; E1173-M1176 PolarHBondContact O-N 2.57Å; E1173-A1177 WeakPolarHBondContact O-CB 3.29Å; E1173-A1177 PolarHBondContact O-N 3.15Å |
| 1174 | A | 89.6 | Confident | 81.8 | Confident | 50 Ų | 50 | 118.7 Ų | 118.7 | 41% | 0.413 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -63.4 | -36.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | K1170 Q1171 A1177 M1178 | K1170-A1174 WeakPolarHBondContact O-CB 3.37Å; K1170-A1174 PolarHBondContact O-N 2.87Å; K1170-A1174 VanDerWaalsContact O-N 3.16Å; Q1171-A1174 PolarHBondContact O-N 3.01Å; A1174-A1177 PolarHBondContact O-N 2.76Å; A1174-M1178 WeakPolarHBondContact O-CG 3.29Å; A1174-M1178 PolarHBondContact O-N 3.29Å |
| 1175 | E | 91.3 | Very high | 83.5 | Confident | 116 Ų | 116 | 118.7 Ų | 118.7 | 54% | 0.542 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -67.5 | -45.5 | 175.5 | -173.1 | 161.1 | -156.4 | 0 | 0 | 111.9 | Q1171 K1172 E1173 A1177 M1178 W1179 | Q1171-E1175 WeakPolarHBondContact O-CB 3.11Å; Q1171-E1175 PolarHBondContact O-N 3.37Å; K1172-E1175 PolarHBondContact O-N 3.23Å; E1173-E1175 VanDerWaalsContact C-N 3.31Å; E1173-E1175 PolarHBondContact O-N 3.22Å; E1175-A1177 VanDerWaalsContact C-N 3.31Å; E1175-A1177 PolarHBondContact O-N 3.27Å; E1175-M1178 PolarHBondContact O-N 3.33Å; E1175-W1179 WeakPolarHBondContact O-CB 3.32Å; E1175-W1179 PolarHBondContact O-N 3.45Å |
| 1176 | M | 89.9 | Confident | 85.2 | Confident | 96 Ų | 96 | 118 Ų | 118 | 47% | 0.473 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -56.6 | -41.8 | 169.2 | -88.6 | -93.3 | -98.4 | 0 | 0 | 112.4 | K1172 E1173 W1179 K1180 | K1172-M1176 WeakPolarHBondContact O-CB 3.35Å; K1172-M1176 PolarHBondContact O-N 3.47Å; E1173-M1176 PolarHBondContact O-N 2.57Å; M1176-W1179 PolarHBondContact O-N 3.17Å; M1176-K1180 WeakPolarHBondContact O-CB 3.29Å; M1176-K1180 WeakPolarHBondContact O-CG 3.46Å; M1176-K1180 PolarHBondContact O-N 2.81Å |
| 1177 | A | 89.3 | Confident | 86.3 | Confident | 46 Ų | 46 | 118.8 Ų | 118.8 | 38% | 0.38 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -68 | -36.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | E1173 A1174 E1175 R1181 | E1173-A1177 WeakPolarHBondContact O-CB 3.29Å; E1173-A1177 PolarHBondContact O-N 3.15Å; A1174-A1177 PolarHBondContact O-N 2.76Å; E1175-A1177 VanDerWaalsContact C-N 3.31Å; E1175-A1177 PolarHBondContact O-N 3.27Å; A1177-R1181 WeakPolarHBondContact O-CB 3.2Å; A1177-R1181 WeakPolarHBondContact O-CG 3.41Å; A1177-R1181 PolarHBondContact O-N 3.44Å; A1177-R1181 VanDerWaalsContact O-N 3.08Å |
| 1178 | M | 90.2 | Very high | 86.9 | Confident | 116 Ų | 116 | 122.8 Ų | 122.8 | 57% | 0.571 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -68.3 | -41.9 | 172.5 | -75.3 | -171.6 | -67.3 | 0 | 0 | 112 | A1174 E1175 R1181 R1182 | A1174-M1178 WeakPolarHBondContact O-CG 3.29Å; A1174-M1178 PolarHBondContact O-N 3.29Å; E1175-M1178 PolarHBondContact O-N 3.33Å; M1178-R1181 PolarHBondContact O-N 2.96Å; M1178-R1182 WeakPolarHBondContact O-CB 3.33Å; M1178-R1182 PolarHBondContact O-N 3.38Å |
| 1179 | W | 88.7 | Confident | 87.8 | Confident | 182 Ų | 182 | 125.2 Ų | 125.2 | 69% | 0.689 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -64.5 | -46.6 | 177.7 | -173.4 | 39.1 | 0 | 0 | 0 | 111.3 | E1175 M1176 R1181 R1182 S1183 | E1175-W1179 WeakPolarHBondContact O-CB 3.32Å; E1175-W1179 PolarHBondContact O-N 3.45Å; M1176-W1179 PolarHBondContact O-N 3.17Å; W1179-R1181 PolarHBondContact O-N 2.76Å; W1179-R1182 CarbonylContact O-C 3.55Å; W1179-R1182 PolarHBondContact O-N 3.08Å; W1179-S1183 PolarHBondContact O-N 3.47Å; W1179-S1183 PolarHBondContact O-OG 2.98Å |
| 1180 | K | 91.2 | Very high | 88.3 | Confident | 132 Ų | 132 | 121 Ų | 121 | 57% | 0.574 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -55.8 | -46.1 | 172.6 | -75 | 179.9 | 179 | -174.5 | 0 | 112.1 | M1176 R1182 S1183 T1184 | M1176-K1180 WeakPolarHBondContact O-CB 3.29Å; M1176-K1180 WeakPolarHBondContact O-CG 3.46Å; M1176-K1180 PolarHBondContact O-N 2.81Å; K1180-R1182 VanDerWaalsContact C-N 3.28Å; K1180-R1182 PolarHBondContact O-N 3.31Å; K1180-S1183 PolarHBondContact O-N 3.17Å; K1180-S1183 PolarHBondContact O-OG 3.36Å; K1180-T1184 WeakPolarHBondContact O-CG2 3.4Å; K1180-T1184 PolarHBondContact O-N 3.39Å; K1180-T1184 PolarHBondContact O-OG1 2.87Å |
| 1181 | R | 88.7 | Confident | 88.3 | Confident | 192 Ų | 192 | 116.8 Ų | 116.8 | 73% | 0.725 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -60.3 | -37.1 | 174.7 | -78 | 174.7 | 176.6 | 173.1 | 0.7 | 112.7 | A1177 M1178 W1179 T1184 Y1185 | A1177-R1181 WeakPolarHBondContact O-CB 3.2Å; A1177-R1181 WeakPolarHBondContact O-CG 3.41Å; A1177-R1181 PolarHBondContact O-N 3.44Å; A1177-R1181 VanDerWaalsContact O-N 3.08Å; M1178-R1181 PolarHBondContact O-N 2.96Å; W1179-R1181 PolarHBondContact O-N 2.76Å; R1181-T1184 PolarHBondContact O-OG1 3.37Å; R1181-T1184 VanDerWaalsContact O-OG1 3.12Å; R1181-Y1185 PolarHBondContact O-N 3.36Å |
| 1182 | R | 87.3 | Confident | 88.3 | Confident | 211 Ų | 211 | 113.3 Ų | 113.3 | 80% | 0.796 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -80.4 | -30.3 | -176.1 | -156.5 | 169.7 | -167.9 | 167.2 | 0.9 | 113.2 | M1178 W1179 K1180 | M1178-R1182 WeakPolarHBondContact O-CB 3.33Å; M1178-R1182 PolarHBondContact O-N 3.38Å; W1179-R1182 CarbonylContact O-C 3.55Å; W1179-R1182 PolarHBondContact O-N 3.08Å; K1180-R1182 VanDerWaalsContact C-N 3.28Å; K1180-R1182 PolarHBondContact O-N 3.31Å |
| 1183 | S | 86.2 | Confident | 88.1 | Confident | 88 Ų | 88 | 112.9 Ų | 112.9 | 62% | 0.615 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -77.3 | -27.5 | 170.7 | 60.4 | 0 | 0 | 0 | 0 | 112.9 | W1179 K1180 Y1185 | W1179-S1183 PolarHBondContact O-N 3.47Å; W1179-S1183 PolarHBondContact O-OG 2.98Å; K1180-S1183 PolarHBondContact O-N 3.17Å; K1180-S1183 PolarHBondContact O-OG 3.36Å; S1183-Y1185 VanDerWaalsContact C-N 3.31Å |
| 1184 | T | 89 | Confident | 87.8 | Confident | 114 Ų | 114 | 111.5 Ų | 111.5 | 70% | 0.699 | 57% | 0.565 | S | S | * | * | S | Bend | trans | -84 | 2 | 170.4 | 60.8 | 0 | 0 | 0 | 0 | 114.5 | K1180 R1181 D1186 | K1180-T1184 WeakPolarHBondContact O-CG2 3.4Å; K1180-T1184 PolarHBondContact O-N 3.39Å; K1180-T1184 PolarHBondContact O-OG1 2.87Å; R1181-T1184 PolarHBondContact O-OG1 3.37Å; R1181-T1184 VanDerWaalsContact O-OG1 3.12Å; T1184-D1186 PolarHBondContact O-N 3.31Å |
| 1185 | Y | 88.9 | Confident | 87.6 | Confident | 148 Ų | 148 | 119.1 Ų | 119.1 | 58% | 0.58 | 58% | 0.582 | S | S | * | * | | | trans | -84.8 | 99.6 | -178.3 | -177.1 | -100.7 | 0 | 0 | 0 | 111.1 | R1181 S1183 P1187 A1190 | R1181-Y1185 PolarHBondContact O-N 3.36Å; S1183-Y1185 VanDerWaalsContact C-N 3.31Å; Y1185-P1187 HydrophobicContact CD1-CG 4.32Å; Y1185-P1187 HydrophobicContact CE1-CB 4.38Å; Y1185-P1187 HydrophobicContact CE1-CG 4.07Å; Y1185-P1187 WeakPolarHBondContact O-CD 3.26Å; Y1185-A1190 HydrophobicContact CE2-CB 3.77Å |
| 1186 | D | 92.1 | Very high | 87.4 | Confident | 79 Ų | 79 | 121.7 Ų | 121.7 | 42% | 0.422 | 59% | 0.587 | S | S | . | * | | | trans | -88.3 | 114.3 | 170.4 | 171 | -5.3 | 0 | 0 | 0 | 109.9 | T1184 M1188 K1189 A1190 | T1184-D1186 PolarHBondContact O-N 3.31Å; D1186-M1188 VanDerWaalsContact C-N 3.34Å; D1186-M1188 PolarHBondContact O-N 2.96Å; D1186-M1188 WeakPolarHBondContact OD1-CA 3.45Å; D1186-M1188 WeakPolarHBondContact OD1-CB 3.36Å; D1186-M1188 PolarHBondContact OD1-N 3.1Å; D1186-K1189 HydrophobicContact CB-CB 3.8Å; D1186-K1189 VanDerWaalsContact CG-CB 3.47Å; D1186-K1189 PolarHBondContact O-N 3.38Å; D1186-K1189 PolarHBondContact OD1-N 3.37Å; D1186-K1189 VanDerWaalsContact OD2-CB 3.3Å; D1186-K1189 WeakPolarHBondContact OD2-CB 3.22Å; D1186-A1190 WeakPolarHBondContact O-CB 3.41Å; D1186-A1190 PolarHBondContact O-N 3.42Å |
| 1187 | P | 89 | Confident | 87.4 | Confident | 85 Ų | 85 | 123.8 Ų | 123.8 | 55% | 0.552 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -64.6 | -32.5 | 178.9 | -21.7 | 34.1 | 0 | 0 | 0 | 114 | Y1185 A1190 A1191 | Y1185-P1187 HydrophobicContact CD1-CG 4.32Å; Y1185-P1187 HydrophobicContact CE1-CB 4.38Å; Y1185-P1187 HydrophobicContact CE1-CG 4.07Å; Y1185-P1187 WeakPolarHBondContact O-CD 3.26Å; P1187-A1190 PolarHBondContact O-N 3.2Å; P1187-A1191 WeakPolarHBondContact O-CB 3.46Å; P1187-A1191 PolarHBondContact O-N 3.09Å |
| 1188 | M | 82.3 | Confident | 87.2 | Confident | 157 Ų | 157 | 129.3 Ų | 129.3 | 77% | 0.773 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -70.1 | -42.5 | 177.9 | -67.6 | 179.5 | 61.6 | 0 | 0 | 110.5 | D1186 A1191 A1192 | D1186-M1188 VanDerWaalsContact C-N 3.34Å; D1186-M1188 PolarHBondContact O-N 2.96Å; D1186-M1188 WeakPolarHBondContact OD1-CA 3.45Å; D1186-M1188 WeakPolarHBondContact OD1-CB 3.36Å; D1186-M1188 PolarHBondContact OD1-N 3.1Å; M1188-A1191 PolarHBondContact O-N 3.39Å; M1188-A1192 WeakPolarHBondContact O-CB 3.42Å; M1188-A1192 PolarHBondContact O-N 2.79Å |
| 1189 | K | 89.6 | Confident | 86.8 | Confident | 140 Ų | 140 | 127.6 Ų | 127.6 | 61% | 0.609 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -63 | -41.7 | 173.1 | -175.3 | 177.3 | 179.8 | -177.3 | 0 | 111.8 | D1186 A1192 E1193 | D1186-K1189 HydrophobicContact CB-CB 3.8Å; D1186-K1189 VanDerWaalsContact CG-CB 3.47Å; D1186-K1189 PolarHBondContact O-N 3.38Å; D1186-K1189 PolarHBondContact OD1-N 3.37Å; D1186-K1189 VanDerWaalsContact OD2-CB 3.3Å; D1186-K1189 WeakPolarHBondContact OD2-CB 3.22Å; K1189-A1192 PolarHBondContact O-N 2.74Å; K1189-E1193 WeakPolarHBondContact O-CB 3.32Å; K1189-E1193 PolarHBondContact O-N 2.64Å |
| 1190 | A | 86.8 | Confident | 86.4 | Confident | 28 Ų | 28 | 124.3 Ų | 124.3 | 23% | 0.231 | 59% | 0.592 | C | S | . | * | H | α-helix | trans | -62.7 | -43 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y1185 D1186 P1187 E1193 D1194 | Y1185-A1190 HydrophobicContact CE2-CB 3.77Å; D1186-A1190 WeakPolarHBondContact O-CB 3.41Å; D1186-A1190 PolarHBondContact O-N 3.42Å; P1187-A1190 PolarHBondContact O-N 3.2Å; A1190-E1193 PolarHBondContact O-N 2.95Å; A1190-D1194 PolarHBondContact O-N 3.11Å |
| 1191 | A | 84 | Confident | 86.1 | Confident | 63 Ų | 63 | 120.9 Ų | 120.9 | 52% | 0.521 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -66.9 | -37.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | P1187 M1188 R1195 | P1187-A1191 WeakPolarHBondContact O-CB 3.46Å; P1187-A1191 PolarHBondContact O-N 3.09Å; M1188-A1191 PolarHBondContact O-N 3.39Å; A1191-R1195 WeakPolarHBondContact O-CB 3.26Å; A1191-R1195 PolarHBondContact O-N 2.87Å |
| 1192 | A | 83.2 | Confident | 86 | Confident | 61 Ų | 61 | 118.3 Ų | 118.3 | 50% | 0.504 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -66.8 | -38.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | M1188 K1189 R1196 | M1188-A1192 WeakPolarHBondContact O-CB 3.42Å; M1188-A1192 PolarHBondContact O-N 2.79Å; K1189-A1192 PolarHBondContact O-N 2.74Å; A1192-R1196 WeakPolarHBondContact O-CB 3.41Å; A1192-R1196 PolarHBondContact O-N 3.4Å |
| 1193 | E | 83.8 | Confident | 85.7 | Confident | 132 Ų | 132 | 115 Ų | 115 | 62% | 0.617 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -68.3 | -40.9 | 176.2 | -170.5 | 169.2 | 178.9 | 0 | 0 | 111.9 | K1189 A1190 R1196 K1197 | K1189-E1193 WeakPolarHBondContact O-CB 3.32Å; K1189-E1193 PolarHBondContact O-N 2.64Å; A1190-E1193 PolarHBondContact O-N 2.95Å; E1193-R1196 PolarHBondContact O-N 3.03Å; E1193-K1197 VanDerWaalsContact O-CB 3.26Å; E1193-K1197 WeakPolarHBondContact O-CB 3.47Å; E1193-K1197 PolarHBondContact O-N 2.66Å |
| 1194 | D | 83.3 | Confident | 85.5 | Confident | 106 Ų | 106 | 113.4 Ų | 113.4 | 57% | 0.567 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -66.5 | -40.9 | 174.6 | -165.5 | 65.3 | 0 | 0 | 0 | 112.1 | A1190 R1196 K1197 K1198 | A1190-D1194 PolarHBondContact O-N 3.11Å; D1194-R1196 VanDerWaalsContact C-N 3.34Å; D1194-R1196 PolarHBondContact O-N 3.19Å; D1194-K1197 PolarHBondContact O-N 2.83Å; D1194-K1198 WeakPolarHBondContact O-CB 3.31Å; D1194-K1198 PolarHBondContact O-N 3.31Å |
| 1195 | R | 84.8 | Confident | 85 | Confident | 209 Ų | 209 | 114.3 Ų | 114.3 | 79% | 0.789 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -62.3 | -39.8 | 174.2 | -165.9 | 174.2 | -171.2 | 164.5 | 3.1 | 112.1 | A1191 E1199 | A1191-R1195 WeakPolarHBondContact O-CB 3.26Å; A1191-R1195 PolarHBondContact O-N 2.87Å; R1195-E1199 PolarHBondContact O-N 3.12Å |
| 1196 | R | 87.4 | Confident | 84.5 | Confident | 170 Ų | 170 | 111.1 Ų | 111.1 | 64% | 0.642 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -62.9 | -48.5 | 171.5 | 173.9 | -179.5 | 168 | 166.8 | -0.8 | 111.1 | A1192 E1193 D1194 K1198 E1199 E1200 | A1192-R1196 WeakPolarHBondContact O-CB 3.41Å; A1192-R1196 PolarHBondContact O-N 3.4Å; E1193-R1196 PolarHBondContact O-N 3.03Å; D1194-R1196 VanDerWaalsContact C-N 3.34Å; D1194-R1196 PolarHBondContact O-N 3.19Å; R1196-K1198 VanDerWaalsContact C-N 3.3Å; R1196-K1198 PolarHBondContact O-N 3.47Å; R1196-E1199 PolarHBondContact O-N 3.14Å; R1196-E1199 VanDerWaalsContact O-N 3.15Å; R1196-E1200 IonicContact NE-OE2 3.65Å; R1196-E1200 WeakPolarHBondContact O-CB 3.39Å; R1196-E1200 PolarHBondContact O-N 3.44Å |
| 1197 | K | 89 | Confident | 83.7 | Confident | 141 Ų | 141 | 112.7 Ų | 112.7 | 61% | 0.613 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -62.5 | -35.2 | -178.6 | -172.1 | 176 | -177.3 | 177.8 | 0 | 112.5 | E1193 D1194 E1200 A1201 | E1193-K1197 VanDerWaalsContact O-CB 3.26Å; E1193-K1197 WeakPolarHBondContact O-CB 3.47Å; E1193-K1197 PolarHBondContact O-N 2.66Å; D1194-K1197 PolarHBondContact O-N 2.83Å; K1197-E1200 PolarHBondContact O-N 3.03Å; K1197-A1201 WeakPolarHBondContact O-CB 3.48Å; K1197-A1201 PolarHBondContact O-N 3.02Å |
| 1198 | K | 86.6 | Confident | 82.9 | Confident | 161 Ų | 161 | 111 Ų | 111 | 70% | 0.7 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -65.5 | -41.5 | 173.4 | -171.8 | 172.9 | -178.6 | 176.3 | 0 | 112.3 | D1194 R1196 R1202 | D1194-K1198 WeakPolarHBondContact O-CB 3.31Å; D1194-K1198 PolarHBondContact O-N 3.31Å; R1196-K1198 VanDerWaalsContact C-N 3.3Å; R1196-K1198 PolarHBondContact O-N 3.47Å; K1198-R1202 WeakPolarHBondContact O-CB 3.45Å; K1198-R1202 PolarHBondContact O-N 3.46Å |
| 1199 | E | 80.3 | Confident | 82.2 | Confident | 80 Ų | 80 | 109 Ų | 109 | 37% | 0.374 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -72.5 | -32.9 | 175.2 | -177.4 | 59.3 | -168.6 | 0 | 0 | 112.4 | R1195 R1196 R1202 R1203 | R1195-E1199 PolarHBondContact O-N 3.12Å; R1196-E1199 PolarHBondContact O-N 3.14Å; R1196-E1199 VanDerWaalsContact O-N 3.15Å; E1199-R1202 VanDerWaalsContact CD-NH2 3.34Å; E1199-R1202 PolarHBondContact O-N 3.26Å; E1199-R1202 IonicContact OE1-CZ 2.66Å; E1199-R1202 IonicContact OE1-NE 3.09Å; E1199-R1202 IonicContact OE1-NH2 2.65Å; E1199-R1202 PolarHBondContact OE1-NH2 2.71Å; E1199-R1202 IonicContact OE2-CZ 2.79Å; E1199-R1202 IonicContact OE2-NE 3.05Å; E1199-R1202 PolarHBondContact OE2-NE 3.43Å; E1199-R1202 IonicContact OE2-NH2 2.64Å; E1199-R1202 PolarHBondContact OE2-NH2 2.79Å; E1199-R1202 VanDerWaalsContact OE2-NH2 3.08Å; E1199-R1203 WeakPolarHBondContact O-CB 3.49Å; E1199-R1203 PolarHBondContact O-N 3.33Å |
| 1200 | E | 81.6 | Confident | 81 | Confident | 113 Ų | 113 | 110.2 Ų | 110.2 | 53% | 0.528 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -67.9 | -41.1 | 174.7 | -165.5 | 155.5 | -166.7 | 0 | 0 | 111.3 | R1196 K1197 R1203 A1204 | R1196-E1200 IonicContact NE-OE2 3.65Å; R1196-E1200 WeakPolarHBondContact O-CB 3.39Å; R1196-E1200 PolarHBondContact O-N 3.44Å; K1197-E1200 PolarHBondContact O-N 3.03Å; E1200-R1203 PolarHBondContact O-N 3.2Å; E1200-A1204 PolarHBondContact O-N 2.84Å |
| 1201 | A | 84.8 | Confident | 79.7 | Confident | 60 Ų | 60 | 115.5 Ų | 115.5 | 50% | 0.496 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -63.4 | -42 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | K1197 R1203 A1204 Q1205 | K1197-A1201 WeakPolarHBondContact O-CB 3.48Å; K1197-A1201 PolarHBondContact O-N 3.02Å; A1201-R1203 VanDerWaalsContact C-N 3.3Å; A1201-R1203 PolarHBondContact O-N 3.5Å; A1201-A1204 PolarHBondContact O-N 3.29Å; A1201-Q1205 PolarHBondContact O-N 3.2Å |
| 1202 | R | 85.8 | Confident | 78.5 | Confident | 139 Ų | 139 | 118.4 Ų | 118.4 | 53% | 0.525 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -63.6 | -35.8 | 174.9 | -166 | 177.8 | 74.1 | 113.2 | 4.9 | 112 | K1198 E1199 N1206 | K1198-R1202 WeakPolarHBondContact O-CB 3.45Å; K1198-R1202 PolarHBondContact O-N 3.46Å; E1199-R1202 VanDerWaalsContact CD-NH2 3.34Å; E1199-R1202 PolarHBondContact O-N 3.26Å; E1199-R1202 IonicContact OE1-CZ 2.66Å; E1199-R1202 IonicContact OE1-NE 3.09Å; E1199-R1202 IonicContact OE1-NH2 2.65Å; E1199-R1202 PolarHBondContact OE1-NH2 2.71Å; E1199-R1202 IonicContact OE2-CZ 2.79Å; E1199-R1202 IonicContact OE2-NE 3.05Å; E1199-R1202 PolarHBondContact OE2-NE 3.43Å; E1199-R1202 IonicContact OE2-NH2 2.64Å; E1199-R1202 PolarHBondContact OE2-NH2 2.79Å; E1199-R1202 VanDerWaalsContact OE2-NH2 3.08Å; R1202-N1206 PolarHBondContact O-N 3.19Å; R1202-N1206 VanDerWaalsContact O-N 3.17Å; R1202-N1206 PolarHBondContact O-ND2 3.32Å |
| 1203 | R | 82.1 | Confident | 77.3 | Confident | 142 Ų | 142 | 120.6 Ų | 120.6 | 54% | 0.536 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -66.9 | -47.7 | 174.5 | -175.9 | 176.2 | -117.7 | 87.9 | 5.9 | 111.6 | E1199 E1200 A1201 Q1205 N1206 E1207 | E1199-R1203 WeakPolarHBondContact O-CB 3.49Å; E1199-R1203 PolarHBondContact O-N 3.33Å; E1200-R1203 PolarHBondContact O-N 3.2Å; A1201-R1203 VanDerWaalsContact C-N 3.3Å; A1201-R1203 PolarHBondContact O-N 3.5Å; R1203-Q1205 VanDerWaalsContact C-N 3.28Å; R1203-Q1205 PolarHBondContact O-N 3.27Å; R1203-N1206 WeakPolarHBondContact O-CB 3.41Å; R1203-N1206 PolarHBondContact O-N 3.28Å; R1203-N1206 VanDerWaalsContact O-N 3.11Å; R1203-E1207 PolarHBondContact O-N 3.36Å |
| 1204 | A | 81.8 | Confident | 75.9 | Confident | 54 Ų | 54 | 119.1 Ų | 119.1 | 45% | 0.446 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -61.1 | -36.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | E1200 A1201 E1207 A1208 | E1200-A1204 PolarHBondContact O-N 2.84Å; A1201-A1204 PolarHBondContact O-N 3.29Å; A1204-E1207 PolarHBondContact O-N 3.42Å; A1204-A1208 WeakPolarHBondContact O-CB 3.49Å; A1204-A1208 PolarHBondContact O-N 3.43Å |
| 1205 | Q | 78.9 | Confident | 74.4 | Confident | 133 Ų | 133 | 121.1 Ų | 121.1 | 62% | 0.621 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -64.9 | -38.6 | 173.9 | -172.5 | 175.8 | -3.7 | 0 | 0 | 112.4 | A1201 R1203 Q1209 | A1201-Q1205 PolarHBondContact O-N 3.2Å; R1203-Q1205 VanDerWaalsContact C-N 3.28Å; R1203-Q1205 PolarHBondContact O-N 3.27Å; Q1205-Q1209 PolarHBondContact O-N 3.25Å |
| 1206 | N | 77.6 | Confident | 72.8 | Confident | 81 Ų | 81 | 116.1 Ų | 116.1 | 43% | 0.433 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -69.7 | -34.9 | 174.3 | -77.3 | -27.2 | 0 | 0 | 0 | 112.8 | R1202 R1203 Q1209 R1210 | R1202-N1206 PolarHBondContact O-N 3.19Å; R1202-N1206 VanDerWaalsContact O-N 3.17Å; R1202-N1206 PolarHBondContact O-ND2 3.32Å; R1203-N1206 WeakPolarHBondContact O-CB 3.41Å; R1203-N1206 PolarHBondContact O-N 3.28Å; R1203-N1206 VanDerWaalsContact O-N 3.11Å; N1206-Q1209 PolarHBondContact O-N 3.18Å; N1206-R1210 PolarHBondContact O-N 3.43Å; N1206-R1210 VanDerWaalsContact O-N 3.12Å |
| 1207 | E | 75 | Confident | 71 | Confident | 112 Ų | 112 | 115 Ų | 115 | 52% | 0.523 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -68.3 | -40.6 | 174.4 | -75.2 | 171.4 | 167.8 | 0 | 0 | 111.3 | R1203 A1204 Q1209 R1210 Q1211 | R1203-E1207 PolarHBondContact O-N 3.36Å; A1204-E1207 PolarHBondContact O-N 3.42Å; E1207-Q1209 VanDerWaalsContact C-N 3.33Å; E1207-Q1209 PolarHBondContact O-N 3.01Å; E1207-R1210 PolarHBondContact O-N 3.14Å; E1207-R1210 VanDerWaalsContact O-N 3.14Å; E1207-Q1211 PolarHBondContact O-N 2.97Å |
| 1208 | A | 73.3 | Confident | 68.8 | Low | 49 Ų | 49 | 117.1 Ų | 117.1 | 41% | 0.405 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -63.4 | -35 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | A1204 R1210 I1212 | A1204-A1208 WeakPolarHBondContact O-CB 3.49Å; A1204-A1208 PolarHBondContact O-N 3.43Å; A1208-R1210 VanDerWaalsContact C-N 3.33Å; A1208-I1212 WeakPolarHBondContact O-CD1 3.33Å; A1208-I1212 WeakPolarHBondContact O-CG1 3.41Å |
| 1209 | Q | 65.8 | Low | 66.9 | Low | 115 Ų | 115 | 115.8 Ų | 115.8 | 54% | 0.537 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -71.8 | -23.4 | 173.2 | -98.5 | -174 | -22.1 | 0 | 0 | 113.8 | Q1205 N1206 E1207 N1213 | Q1205-Q1209 PolarHBondContact O-N 3.25Å; N1206-Q1209 PolarHBondContact O-N 3.18Å; E1207-Q1209 VanDerWaalsContact C-N 3.33Å; E1207-Q1209 PolarHBondContact O-N 3.01Å; Q1209-N1213 PolarHBondContact O-ND2 2.93Å |
| 1210 | R | 66.1 | Low | 65.2 | Low | 165 Ų | 165 | 117.9 Ų | 117.9 | 62% | 0.623 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -73.7 | -49.1 | 173.6 | -77.4 | -175.7 | 143.5 | -76.3 | -4.6 | 111.9 | N1206 E1207 A1208 I1212 N1213 D1214 | N1206-R1210 PolarHBondContact O-N 3.43Å; N1206-R1210 VanDerWaalsContact O-N 3.12Å; E1207-R1210 PolarHBondContact O-N 3.14Å; E1207-R1210 VanDerWaalsContact O-N 3.14Å; A1208-R1210 VanDerWaalsContact C-N 3.33Å; R1210-I1212 PolarHBondContact O-N 3.49Å; R1210-N1213 PolarHBondContact O-N 3.2Å; R1210-D1214 VanDerWaalsContact C-OD2 3.31Å; R1210-D1214 PolarHBondContact O-N 2.61Å; R1210-D1214 VanDerWaalsContact O-OD2 3.05Å |
| 1211 | Q | 58.6 | Low | 62.9 | Low | 139 Ų | 139 | 121.7 Ų | 121.7 | 65% | 0.65 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -56.5 | -26 | 178.1 | -68.8 | 176.5 | -5.2 | 0 | 0 | 113.4 | E1207 | E1207-Q1211 PolarHBondContact O-N 2.97Å |
| 1212 | I | 58.7 | Low | 60.7 | Low | 125 Ų | 125 | 127.9 Ų | 127.9 | 64% | 0.641 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -80.1 | -18.2 | 176.1 | -68.1 | 169.1 | 0 | 0 | 0 | 113.4 | A1208 R1210 | A1208-I1212 WeakPolarHBondContact O-CD1 3.33Å; A1208-I1212 WeakPolarHBondContact O-CG1 3.41Å; R1210-I1212 PolarHBondContact O-N 3.49Å |
| 1213 | N | 58.8 | Low | 58.3 | Low | 106 Ų | 106 | 126.6 Ų | 126.6 | 57% | 0.567 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -97.5 | -33.1 | 175.8 | -72.6 | -90.3 | 0 | 0 | 0 | 112.3 | Q1209 R1210 D1215 V1216 | Q1209-N1213 PolarHBondContact O-ND2 2.93Å; R1210-N1213 PolarHBondContact O-N 3.2Å; N1213-D1215 PolarHBondContact O-N 3.2Å; N1213-V1216 PolarHBondContact O-N 3.21Å |
| 1214 | D | 53.7 | Low | 56.4 | Low | 102 Ų | 102 | 126.3 Ų | 126.3 | 55% | 0.545 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -69 | -18.6 | -178.4 | -57.5 | -47.3 | 0 | 0 | 0 | 112.5 | R1210 V1216 | R1210-D1214 VanDerWaalsContact C-OD2 3.31Å; R1210-D1214 PolarHBondContact O-N 2.61Å; R1210-D1214 VanDerWaalsContact O-OD2 3.05Å; D1214-V1216 VanDerWaalsContact C-N 3.33Å; D1214-V1216 PolarHBondContact O-N 3.43Å |
| 1215 | D | 52.6 | Low | 54.4 | Low | 148 Ų | 148 | 131.1 Ų | 131.1 | 79% | 0.791 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.2 | 6.8 | 178 | -92.2 | -34.6 | 0 | 0 | 0 | 115 | N1213 | N1213-D1215 PolarHBondContact O-N 3.2Š|
| 1216 | V | 51.2 | Low | 52.4 | Low | 103 Ų | 103 | 136 Ų | 136 | 62% | 0.624 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -110.3 | -20.9 | -170.2 | -173.9 | 0 | 0 | 0 | 0 | 114.3 | N1213 D1214 | N1213-V1216 PolarHBondContact O-N 3.21Å; D1214-V1216 VanDerWaalsContact C-N 3.33Å; D1214-V1216 PolarHBondContact O-N 3.43Å |
| 1217 | D | 48.7 | Very low | 50.9 | Low | 147 Ų | 147 | 137.2 Ų | 137.2 | 79% | 0.786 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -99 | -4.9 | -167.6 | -74.6 | -35.8 | 0 | 0 | 0 | 115.7 | I1219 | D1217-I1219 PolarHBondContact O-N 3.32Š|
| 1218 | E | 42.7 | Very low | 49.1 | Very low | 185 Ų | 185 | 135.7 Ų | 135.7 | 86% | 0.864 | 71% | 0.71 | S | S | * | * | | | trans | -96.7 | 80.6 | 179.6 | -69.5 | -159.6 | 151.4 | 0 | 0 | 113.8 | | |
| 1219 | I | 47.4 | Very low | 47.4 | Very low | 133 Ų | 133 | 140 Ų | 140 | 68% | 0.682 | 73% | 0.727 | S | S | * | * | | | trans | -110.4 | 98.6 | 164.2 | -57.6 | 179.3 | 0 | 0 | 0 | 109.5 | D1217 F1221 | D1217-I1219 PolarHBondContact O-N 3.32Å; I1219-F1221 HydrophobicContact CG2-CD2 4.28Å; I1219-F1221 HydrophobicContact CG2-CE2 4.23Å; I1219-F1221 PolarHBondContact O-N 2.65Å |
| 1220 | P | 44.3 | Very low | 46 | Very low | 125 Ų | 125 | 141 Ų | 141 | 81% | 0.812 | 74% | 0.736 | S | S | * | * | | | trans | -77.6 | 115 | 179.7 | 29.6 | -33.2 | 0 | 0 | 0 | 111.9 | | |
| 1221 | F | 33 | Very low | 44.6 | Very low | 193 Ų | 193 | 141.1 Ų | 141.1 | 85% | 0.846 | 75% | 0.746 | S | S | * | * | | | trans | -91.7 | 116.6 | 171.3 | -93.5 | -98.4 | 0 | 0 | 0 | 111.2 | I1219 | I1219-F1221 HydrophobicContact CG2-CD2 4.28Å; I1219-F1221 HydrophobicContact CG2-CE2 4.23Å; I1219-F1221 PolarHBondContact O-N 2.65Å |
| 1222 | E | 38.1 | Very low | 43.5 | Very low | 189 Ų | 189 | 139.8 Ų | 139.8 | 88% | 0.883 | 75% | 0.747 | S | S | * | * | | | trans | -155.9 | 151.8 | 151.8 | -135 | 179.2 | 176.4 | 0 | 0 | 114.5 | | |
| 1223 | S | 37 | Very low | 42.4 | Very low | 112 Ų | 112 | 140.9 Ų | 140.9 | 78% | 0.783 | 75% | 0.752 | S | S | * | * | | | trans | 67 | 110.1 | 174.5 | 74 | 0 | 0 | 0 | 0 | 118.9 | | |
| 1224 | V | 41.2 | Very low | 41.4 | Very low | 137 Ų | 137 | 141 Ų | 141 | 83% | 0.83 | 76% | 0.758 | S | S | * | * | | | | -175.1 | 120.3 | 117.2 | 151.6 | 0 | 0 | 0 | 0 | 110.6 | | |
| 1225 | L | 39.3 | Very low | 40.5 | Very low | 154 Ų | 154 | 141.6 Ų | 141.6 | 81% | 0.806 | 77% | 0.77 | S | S | * | * | | | trans | 15.2 | 121.9 | 159.2 | -89.7 | 59.3 | 0 | 0 | 0 | 123.8 | | |
| 1226 | R | 37.4 | Very low | 39.6 | Very low | 235 Ų | 235 | 138.5 Ų | 138.5 | 89% | 0.887 | 77% | 0.772 | S | S | * | * | | | | 80 | 162.5 | 128.4 | -103.8 | -170.5 | 176.6 | 175.1 | 0 | 119.5 | | |
| 1227 | P | 47.1 | Very low | 38.8 | Very low | 107 Ų | 107 | 137 Ų | 137 | 70% | 0.695 | 78% | 0.778 | S | S | * | * | | | | -136.2 | 177.8 | -106.8 | 44.8 | -27.8 | 0 | 0 | 0 | 117.5 | | |
| 1228 | A | 36.8 | Very low | 38.1 | Very low | 80 Ų | 80 | 137.3 Ų | 137.3 | 66% | 0.661 | 78% | 0.78 | S | S | * | * | | | trans | 61 | 117.7 | 156.5 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 1229 | N | 37.8 | Very low | 37.6 | Very low | 139 Ų | 139 | 133.1 Ų | 133.1 | 74% | 0.743 | 77% | 0.771 | S | S | * | * | | | | -168.4 | 146.3 | 71 | -87.1 | -56.5 | 0 | 0 | 0 | 113.3 | | |
| 1230 | N | 35.6 | Very low | 36.8 | Very low | 138 Ų | 138 | 137.7 Ų | 137.7 | 74% | 0.738 | 78% | 0.781 | S | S | * | * | | | trans | 20.5 | 121.3 | 133.3 | -51.5 | -5.9 | 0 | 0 | 0 | 117.1 | | |
| 1231 | M | 35.7 | Very low | 36.5 | Very low | 167 Ų | 167 | 136.7 Ų | 136.7 | 82% | 0.823 | 78% | 0.777 | S | S | * | * | | | | -175.2 | 126.5 | 62.8 | -113.4 | 154.2 | 60.7 | 0 | 0 | 113.3 | | |
| 1232 | T | 35.7 | Very low | 36.9 | Very low | 110 Ų | 110 | 132.4 Ų | 132.4 | 68% | 0.675 | 77% | 0.768 | S | S | * | * | | | | 51.4 | 135.3 | 103.9 | -49.2 | 0 | 0 | 0 | 0 | 122.2 | | |
| 1233 | I | 36.4 | Very low | 36.5 | Very low | 148 Ų | 148 | 134.1 Ų | 134.1 | 76% | 0.759 | 77% | 0.767 | S | S | * | * | | | trans | 73.2 | 136.9 | 158.8 | -78.4 | 167.7 | 0 | 0 | 0 | 116.2 | | |
| 1234 | T | 37.6 | Very low | 36.4 | Very low | 110 Ų | 110 | 135.7 Ų | 135.7 | 68% | 0.675 | 77% | 0.766 | S | S | * | * | | | cis | -160.3 | 167 | -11.1 | 26.3 | 0 | 0 | 0 | 0 | 110.1 | | |
| 1235 | S | 34.7 | Very low | 36.2 | Very low | 114 Ų | 114 | 134.4 Ų | 134.4 | 80% | 0.797 | 76% | 0.763 | S | S | * | * | | | trans | 45.2 | 129.2 | 146.8 | 62.7 | 0 | 0 | 0 | 0 | 120.1 | | |
| 1236 | G | 34.7 | Very low | 36.3 | Very low | 82 Ų | 82 | 130.5 Ų | 130.5 | 85% | 0.845 | 75% | 0.746 | S | S | * | * | | | cis | 156.3 | -179.3 | 8.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 1237 | G | 34.1 | Very low | 36.5 | Very low | 72 Ų | 72 | 122.2 Ų | 122.2 | 74% | 0.742 | 72% | 0.717 | S | S | * | * | | | trans | 123 | 96.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 1238 | N | 33.5 | Very low | 36.3 | Very low | 154 Ų | 154 | 122.1 Ų | 122.1 | 82% | 0.824 | 71% | 0.711 | S | S | * | * | | | trans | 58.6 | 98.4 | 138.8 | -63.8 | 22.1 | 0 | 0 | 0 | 121.1 | | |
| 1239 | S | 32.7 | Very low | 36.4 | Very low | 97 Ų | 97 | 126.1 Ų | 126.1 | 68% | 0.678 | 72% | 0.721 | S | S | * | * | | | | 80 | 111.6 | 115.6 | 66 | 0 | 0 | 0 | 0 | 122.6 | | |
| 1240 | Y | 30.6 | Very low | 36.3 | Very low | 229 Ų | 229 | 123.4 Ų | 123.4 | 90% | 0.898 | 72% | 0.718 | S | S | * | * | | | | 65.2 | 118.7 | 127.9 | -75.9 | -82.5 | 0 | 0 | 0 | 122.6 | | |
| 1241 | S | 37.4 | Very low | 36.2 | Very low | 104 Ų | 104 | 129 Ų | 129 | 73% | 0.727 | 73% | 0.729 | S | S | * | * | | | trans | -82.9 | 177.8 | 142.8 | -126.1 | 0 | 0 | 0 | 0 | 110.1 | | |
| 1242 | P | 41.8 | Very low | 36.3 | Very low | 102 Ų | 102 | 126.8 Ų | 126.8 | 66% | 0.662 | 73% | 0.725 | S | S | * | * | | | cis | -139.5 | -165.4 | -1.4 | 28.2 | -2.2 | 0 | 0 | 0 | 114.9 | | |
| 1243 | R | 29.5 | Very low | 36.4 | Very low | 225 Ų | 225 | 128.2 Ų | 128.2 | 85% | 0.849 | 73% | 0.727 | S | S | * | * | | | trans | 102.4 | 132.4 | 151.7 | -54.1 | 178.9 | 81 | 149.9 | 0.4 | 120.6 | | |
| 1244 | N | 34.9 | Very low | 36.6 | Very low | 146 Ų | 146 | 124.9 Ų | 124.9 | 78% | 0.781 | 73% | 0.73 | S | S | * | * | | | trans | 12.6 | 154.3 | 149 | -64.6 | 15.6 | 0 | 0 | 0 | 124.3 | | |
| 1245 | S | 37.1 | Very low | 36.7 | Very low | 109 Ų | 109 | 127.7 Ų | 127.7 | 76% | 0.762 | 74% | 0.735 | S | S | * | * | | | trans | 74.3 | 154.8 | 150.1 | -88.6 | 0 | 0 | 0 | 0 | 117.3 | | |
| 1246 | V | 41.1 | Very low | 36.7 | Very low | 73 Ų | 73 | 128 Ų | 128 | 44% | 0.442 | 74% | 0.738 | S | S | . | * | | | cis | -145.4 | -168.6 | -15.4 | 79 | 0 | 0 | 0 | 0 | 108.1 | L1061 N1248 | L1061-V1246 HydrophobicContact CD2-CG1 3.68Å; V1246-N1248 WeakPolarHBondContact CG2-OD1 3.4Å |
| 1247 | E | 41.6 | Very low | 36.7 | Very low | 61 Ų | 61 | 128.9 Ų | 128.9 | 29% | 0.285 | 73% | 0.731 | S | S | . | * | | | trans | 143.1 | 73.6 | 152.7 | -78.2 | 154.7 | -144.7 | 0 | 0 | 111.5 | K1057 K1058 L1061 | K1057-E1247 WeakPolarHBondContact CB-OE2 3.2Å; K1057-E1247 HydrophobicContact CD-CB 4.08Å; K1057-E1247 HydrophobicContact CD-CG 4.14Å; K1057-E1247 WeakPolarHBondContact CD-OE2 3.18Å; K1057-E1247 HydrophobicContact CG-CG 4.15Å; K1057-E1247 WeakPolarHBondContact CG-OE2 3.39Å; K1058-E1247 WeakPolarHBondContact CA-OE1 3.13Å; L1061-E1247 HydrophobicContact CD2-CG 4.33Å |
| 1248 | N | 42.5 | Very low | 37.2 | Very low | 104 Ų | 104 | 133.4 Ų | 133.4 | 56% | 0.556 | 73% | 0.733 | S | S | * | * | | | | 64.9 | 107.7 | 83.2 | -63.1 | 4.2 | 0 | 0 | 0 | 114.4 | K1057 V1246 | K1057-N1248 PolarHBondContact NZ-O 3.17Å; V1246-N1248 WeakPolarHBondContact CG2-OD1 3.4Å |
| 1249 | D | 39.4 | Very low | 37.4 | Very low | 165 Ų | 165 | 136.8 Ų | 136.8 | 88% | 0.882 | 74% | 0.736 | S | S | * | * | | | | -113.9 | 144 | 129.5 | -70.7 | -36.3 | 0 | 0 | 0 | 106.2 | | |
| 1250 | A | 36.3 | Very low | 37.7 | Very low | 81 Ų | 81 | 135.7 Ų | 135.7 | 67% | 0.669 | 74% | 0.739 | S | S | * | * | | | trans | -111.2 | 154.2 | -156 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 1251 | W | 33.3 | Very low | 38.2 | Very low | 256 Ų | 256 | 133.9 Ų | 133.9 | 97% | 0.97 | 74% | 0.739 | S | S | * | * | | | trans | -176.6 | 62.2 | 133.1 | -94.7 | 114.4 | 0 | 0 | 0 | 111.5 | | |
| 1252 | T | 37.8 | Very low | 38.7 | Very low | 121 Ų | 121 | 139 Ų | 139 | 74% | 0.742 | 74% | 0.744 | S | S | * | * | | | trans | -151.9 | 132.5 | 167.3 | 62.3 | 0 | 0 | 0 | 0 | 104.7 | | |
| 1253 | L | 37.9 | Very low | 39.3 | Very low | 139 Ų | 139 | 139.4 Ų | 139.4 | 73% | 0.728 | 75% | 0.746 | S | S | * | * | | | | -164 | 171.4 | 53.6 | -81.8 | 153.6 | 0 | 0 | 0 | 110.3 | E1255 | L1253-E1255 HydrophobicContact CB-CG 4.07Å; L1253-E1255 HydrophobicContact CD1-CG 4.47Å; L1253-E1255 WeakPolarHBondContact CD1-OE1 3.1Å |
| 1254 | G | 40.3 | Very low | 40.2 | Very low | 79 Ų | 79 | 134.8 Ų | 134.8 | 81% | 0.814 | 74% | 0.739 | S | S | * | * | | | trans | -136.5 | 126.1 | 151.5 | 0 | 0 | 0 | 0 | 0 | 107.5 | | |
| 1255 | E | 38.7 | Very low | 41 | Very low | 168 Ų | 168 | 134.4 Ų | 134.4 | 79% | 0.785 | 74% | 0.737 | S | S | * | * | | | trans | -110.9 | 173.9 | -162.9 | -60 | -161.9 | 138.2 | 0 | 0 | 113.9 | L1253 | L1253-E1255 HydrophobicContact CB-CG 4.07Å; L1253-E1255 HydrophobicContact CD1-CG 4.47Å; L1253-E1255 WeakPolarHBondContact CD1-OE1 3.1Å |
| 1256 | S | 35.5 | Very low | 41.2 | Very low | 122 Ų | 122 | 139.5 Ų | 139.5 | 85% | 0.853 | 74% | 0.741 | S | S | * | * | | | trans | -114.8 | 104.8 | -173.3 | 59.2 | 0 | 0 | 0 | 0 | 113.2 | | |
| 1257 | S | 34.2 | Very low | 41.8 | Very low | 100 Ų | 100 | 143.9 Ų | 143.9 | 70% | 0.699 | 76% | 0.762 | S | S | * | * | | | trans | -164 | 164.3 | 158.7 | -139.4 | 0 | 0 | 0 | 0 | 106.7 | | |
| 1258 | E | 45.4 | Very low | 41.8 | Very low | 167 Ų | 167 | 148 Ų | 148 | 78% | 0.78 | 78% | 0.781 | S | S | * | * | | | cis | -148.8 | -155.3 | 12.3 | -160 | 135.7 | 131.7 | 0 | 0 | 110.8 | | |
| 1259 | Y | 37.4 | Very low | 42.1 | Very low | 225 Ų | 225 | 149 Ų | 149 | 88% | 0.882 | 79% | 0.787 | S | S | * | * | | | trans | -58.8 | 151 | 170.3 | -79.2 | -131 | 0 | 0 | 0 | 110.4 | | |
| 1260 | G | 38.4 | Very low | 42.7 | Very low | 73 Ų | 73 | 147.1 Ų | 147.1 | 75% | 0.753 | 78% | 0.776 | S | S | * | * | | | | 93 | 116.4 | 56.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 1261 | E | 42.7 | Very low | 43.3 | Very low | 192 Ų | 192 | 150.9 Ų | 150.9 | 90% | 0.897 | 78% | 0.78 | S | S | * | * | | | | -170.6 | 148.3 | 101.1 | -173.7 | 155 | -133.8 | 0 | 0 | 109.5 | | |
| 1262 | Y | 46.4 | Very low | 44.1 | Very low | 210 Ų | 210 | 145.3 Ų | 145.3 | 82% | 0.824 | 77% | 0.765 | S | S | * | * | | | trans | -96.7 | 148 | 172.3 | -109.3 | -95.3 | 0 | 0 | 0 | 109.3 | | |
| 1263 | P | 56 | Low | 44.6 | Very low | 111 Ų | 111 | 147 Ų | 147 | 72% | 0.721 | 76% | 0.764 | S | S | * | * | | | | -115.4 | 119.1 | 127.9 | -6.8 | 26.3 | 0 | 0 | 0 | 110.6 | | |
| 1264 | D | 48 | Very low | 45 | Very low | 128 Ų | 128 | 142.9 Ų | 142.9 | 68% | 0.684 | 76% | 0.755 | S | S | * | * | | | | 41.3 | 148.8 | 107.6 | -53.5 | -25.8 | 0 | 0 | 0 | 121.3 | | |
| 1265 | D | 50.4 | Low | 45.2 | Very low | 139 Ų | 139 | 145.2 Ų | 145.2 | 74% | 0.743 | 75% | 0.749 | S | S | * | * | | | trans | 85.2 | 98.9 | 156.8 | -56.6 | -26.4 | 0 | 0 | 0 | 120.6 | | |
| 1266 | Y | 42.7 | Very low | 45.3 | Very low | 215 Ų | 215 | 145.2 Ų | 145.2 | 84% | 0.843 | 75% | 0.749 | S | S | * | * | | | trans | -10.7 | 140.6 | 138.3 | -46 | -96.2 | 0 | 0 | 0 | 116.7 | | |
| 1267 | D | 52.6 | Low | 45.8 | Very low | 166 Ų | 166 | 145.8 Ų | 145.8 | 89% | 0.888 | 74% | 0.742 | S | S | * | * | | | | -146.6 | 170.7 | 94.4 | -133.7 | -31.7 | 0 | 0 | 0 | 111.8 | | |
| 1268 | E | 42.1 | Very low | 46.1 | Very low | 148 Ų | 148 | 147.8 Ų | 147.8 | 69% | 0.692 | 74% | 0.744 | S | S | * | * | | | trans | -124.7 | 156.3 | -167.9 | -166.4 | 175.9 | -126.1 | 0 | 0 | 110.5 | | |
| 1269 | N | 49.3 | Very low | 46.1 | Very low | 125 Ų | 125 | 146.9 Ų | 146.9 | 67% | 0.668 | 75% | 0.745 | S | S | * | * | | | trans | 68.7 | 167.2 | 178.1 | -29.5 | -79.9 | 0 | 0 | 0 | 113.8 | | |
| 1270 | D | 51.8 | Low | 46.3 | Very low | 124 Ų | 124 | 144.7 Ų | 144.7 | 66% | 0.663 | 74% | 0.736 | S | S | * | * | | | cis | -133.9 | 163.9 | 6.5 | -88.4 | -58.8 | 0 | 0 | 0 | 111.1 | | |
| 1271 | E | 49.4 | Very low | 46.3 | Very low | 160 Ų | 160 | 146.4 Ų | 146.4 | 75% | 0.748 | 73% | 0.732 | S | S | * | * | | | | 25.2 | 157.5 | 123.8 | -43.9 | -178.6 | 145.8 | 0 | 0 | 119.9 | | |
| 1272 | E | 49.7 | Very low | 46.4 | Very low | 139 Ų | 139 | 140.8 Ų | 140.8 | 65% | 0.65 | 73% | 0.725 | S | S | * | * | | | cis | -165 | 158.1 | 8 | -139.9 | 179.9 | -165.3 | 0 | 0 | 109 | | |
| 1273 | H | 48.4 | Very low | 46.1 | Very low | 156 Ų | 156 | 138.8 Ų | 138.8 | 72% | 0.722 | 72% | 0.723 | S | S | * | * | | | trans | 53.5 | 167.5 | 159.8 | -61 | -50.5 | 0 | 0 | 0 | 119.1 | | |
| 1274 | G | 44.6 | Very low | 45.6 | Very low | 53 Ų | 53 | 142.3 Ų | 142.3 | 55% | 0.546 | 73% | 0.73 | S | S | . | * | | | cis | -161.2 | 145.6 | -5.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 1275 | D | 44.9 | Very low | 45.5 | Very low | 129 Ų | 129 | 141 Ų | 141 | 69% | 0.69 | 73% | 0.731 | S | S | * | * | | | | 101.8 | 137.7 | 100.2 | -57.1 | -27.5 | 0 | 0 | 0 | 109.5 | | |
| 1276 | E | 40.8 | Very low | 45.5 | Very low | 168 Ų | 168 | 140.7 Ų | 140.7 | 79% | 0.785 | 73% | 0.729 | S | S | * | * | | | | 60.6 | 123.8 | 110 | -57.4 | 179.7 | 167.9 | 0 | 0 | 113.2 | | |
| 1277 | D | 47.5 | Very low | 45.9 | Very low | 133 Ų | 133 | 137.4 Ų | 137.4 | 71% | 0.711 | 73% | 0.726 | S | S | * | * | | | cis | -147.2 | 159.6 | 16 | -82.1 | -52.7 | 0 | 0 | 0 | 110 | | |
| 1278 | I | 40.3 | Very low | 45.9 | Very low | 142 Ų | 142 | 135.2 Ų | 135.2 | 73% | 0.728 | 72% | 0.719 | S | S | * | * | | | | 47.5 | 108 | 71.6 | -51.5 | 178.5 | 0 | 0 | 0 | 115.1 | | |
| 1279 | D | 45.3 | Very low | 46 | Very low | 149 Ų | 149 | 136.5 Ų | 136.5 | 80% | 0.797 | 72% | 0.722 | S | S | * | * | | | trans | -167.9 | 133.4 | 136.2 | -101.3 | -17.8 | 0 | 0 | 0 | 109.4 | | |
| 1280 | Y | 41 | Very low | 46.1 | Very low | 178 Ų | 178 | 137 Ų | 137 | 70% | 0.698 | 72% | 0.721 | S | S | * | * | | | | 83.6 | 88.9 | 56.9 | -150.5 | -85.7 | 0 | 0 | 0 | 111.8 | | |
| 1281 | V | 38.9 | Very low | 46.1 | Very low | 110 Ų | 110 | 135.8 Ų | 135.8 | 67% | 0.667 | 72% | 0.718 | S | S | * | * | | | | 61.5 | 98.6 | 91 | -179.5 | 0 | 0 | 0 | 0 | 113.7 | | |
| 1282 | G | 43.9 | Very low | 46.2 | Very low | 73 Ų | 73 | 136.1 Ų | 136.1 | 75% | 0.753 | 72% | 0.719 | S | S | * | * | | | trans | -138.9 | 128.6 | 154.7 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 1283 | Q | 39.7 | Very low | 46.1 | Very low | 169 Ų | 169 | 135.1 Ų | 135.1 | 79% | 0.79 | 73% | 0.728 | S | S | * | * | | | cis | 80.1 | 82.7 | 43.2 | -65 | -164.6 | -5.9 | 0 | 0 | 114.6 | | |
| 1284 | E | 45.4 | Very low | 46.1 | Very low | 184 Ų | 184 | 131 Ų | 131 | 86% | 0.86 | 73% | 0.727 | S | S | * | * | | | trans | -152.1 | 122.7 | 138.6 | 44.3 | -164.7 | 161.6 | 0 | 0 | 106.3 | | |
| 1285 | S | 46.8 | Very low | 46.2 | Very low | 101 Ų | 101 | 137.8 Ų | 137.8 | 71% | 0.706 | 75% | 0.745 | S | S | * | * | | | | 83.5 | 130.1 | 55.7 | -78.3 | 0 | 0 | 0 | 0 | 112.4 | | |
| 1286 | D | 49.5 | Very low | 46.4 | Very low | 132 Ų | 132 | 135.4 Ų | 135.4 | 71% | 0.706 | 74% | 0.743 | S | S | * | * | | | cis | -149.9 | 156.4 | -0.6 | -79.5 | -38.9 | 0 | 0 | 0 | 111.7 | | |
| 1287 | D | 52 | Low | 46.8 | Very low | 146 Ų | 146 | 131.9 Ų | 131.9 | 78% | 0.781 | 74% | 0.743 | S | S | * | * | | | trans | 52.4 | 165.5 | 139.7 | -68.3 | -24.7 | 0 | 0 | 0 | 125.3 | | |
| 1288 | V | 53.6 | Low | 47 | Very low | 121 Ų | 121 | 130.8 Ų | 130.8 | 73% | 0.733 | 74% | 0.741 | S | S | * | * | | | trans | 97.5 | 85.4 | 153.7 | -164.6 | 0 | 0 | 0 | 0 | 118.5 | | |
| 1289 | F | 44.1 | Very low | 47.2 | Very low | 174 Ų | 174 | 132.6 Ų | 132.6 | 76% | 0.763 | 75% | 0.746 | S | S | * | * | | | | 59.5 | 142.5 | 126.9 | -82.1 | -120.4 | 0 | 0 | 0 | 120.5 | | |
| 1290 | E | 51.2 | Low | 47.2 | Very low | 136 Ų | 136 | 128.8 Ų | 128.8 | 64% | 0.636 | 74% | 0.742 | S | S | * | * | | | cis | -168.9 | 179.5 | -14.5 | -133.1 | -167.8 | 177.1 | 0 | 0 | 110.4 | | |
| 1291 | T | 52.2 | Low | 47.4 | Very low | 99 Ų | 99 | 125.3 Ų | 125.3 | 61% | 0.607 | 75% | 0.75 | S | S | * | * | | | trans | 14.8 | 150.7 | 147.6 | 59.4 | 0 | 0 | 0 | 0 | 121.7 | | |
| 1292 | E | 51.1 | Low | 47.5 | Very low | 166 Ų | 166 | 131 Ų | 131 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | | | cis | 178.6 | 175.9 | -3.6 | 171.3 | 172.8 | 142.1 | 0 | 0 | 107.3 | | |
| 1293 | S | 46.6 | Very low | 47.7 | Very low | 119 Ų | 119 | 133.9 Ų | 133.9 | 83% | 0.832 | 77% | 0.77 | S | S | * | * | | | trans | 74.1 | 132.9 | 167.5 | 78.6 | 0 | 0 | 0 | 0 | 116.2 | | |
| 1294 | G | 48 | Very low | 48.1 | Very low | 69 Ų | 69 | 132 Ų | 132 | 71% | 0.711 | 77% | 0.769 | S | S | * | * | | | cis | -165.9 | 159.4 | -5.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 1295 | E | 46.9 | Very low | 48.3 | Very low | 196 Ų | 196 | 129.1 Ų | 129.1 | 92% | 0.916 | 76% | 0.764 | S | S | * | * | | | trans | 13.1 | 144.2 | 140.8 | -68.1 | -166.1 | 96.3 | 0 | 0 | 120.8 | | |
| 1296 | A | 49.3 | Very low | 48.4 | Very low | 79 Ų | 79 | 130.8 Ų | 130.8 | 65% | 0.653 | 77% | 0.767 | S | S | * | * | | | cis | -170.8 | 174.9 | -6.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 1297 | A | 50.5 | Low | 48.3 | Very low | 94 Ų | 94 | 130.7 Ų | 130.7 | 78% | 0.777 | 77% | 0.771 | S | S | * | * | | | trans | 73.6 | 142.7 | 151.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 1298 | V | 51.4 | Low | 48.1 | Very low | 110 Ų | 110 | 129.7 Ų | 129.7 | 67% | 0.667 | 77% | 0.771 | S | S | * | * | | | cis | -157 | 141 | -4.1 | 110 | 0 | 0 | 0 | 0 | 111.2 | | |
| 1299 | Q | 43.8 | Very low | 47.7 | Very low | 179 Ų | 179 | 130.3 Ų | 130.3 | 84% | 0.836 | 77% | 0.773 | S | S | * | * | | | trans | 39.6 | 143.9 | 151.3 | -57 | 152.3 | 10.2 | 0 | 0 | 121.6 | | |
| 1300 | G | 45.6 | Very low | 48 | Very low | 70 Ų | 70 | 126.9 Ų | 126.9 | 72% | 0.722 | 77% | 0.774 | S | S | * | * | | | cis | 147.9 | 161.5 | -5.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 1301 | A | 46 | Very low | 47.7 | Very low | 104 Ų | 104 | 126.2 Ų | 126.2 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | | | trans | 68.6 | 126.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 1302 | Q | 40.8 | Very low | 47.3 | Very low | 229 Ų | 229 | 128.6 Ų | 128.6 | 100% | 1.07 | 80% | 0.802 | S | S | * | * | | | cis | -138.2 | 0 | 1.1 | -93.8 | -167.7 | -0.8 | 0 | 0 | 112 | R481 | R481-Q1302 PolarHBondContact NH2-O 3.45Å; R481-Q1302 PolarHBondContact NH2-OXT 3.49Å |