| 1 | M | 57.3 | Low | 78.1 | Confident | 242 Ų | 242 | 162.7 Ų | 162.7 | 100% | 1.192 | 84% | 0.839 | S | S | * | * | | | | 0 | 118.5 | 0 | -68.4 | -152.6 | -80.6 | 0 | 0 | 108.1 | K3 | M1-K3 PolarHBondContact O-N 3.2Š|
| 2 | S | 73.7 | Confident | 79.1 | Confident | 124 Ų | 124 | 154.7 Ų | 154.7 | 87% | 0.867 | 80% | 0.798 | S | S | * | * | | | trans | -68.2 | 119.9 | 172.9 | 44.6 | 0 | 0 | 0 | 0 | 108.1 | L4 | S2-L4 PolarHBondContact O-N 2.84Š|
| 3 | K | 76.6 | Confident | 79.8 | Confident | 187 Ų | 187 | 151.5 Ų | 151.5 | 81% | 0.813 | 80% | 0.796 | S | S | * | * | | | trans | -59 | 124.4 | 174.4 | -171.9 | 172.6 | -177.9 | 174.7 | 0 | 107.6 | M1 T5 | M1-K3 PolarHBondContact O-N 3.2Å; K3-T5 PolarHBondContact O-N 3.26Å |
| 4 | L | 73.1 | Confident | 80.7 | Confident | 176 Ų | 176 | 152 Ų | 152 | 92% | 0.921 | 80% | 0.797 | S | S | * | * | | | trans | -64.7 | 103.5 | 174.2 | -163.8 | 75.9 | 0 | 0 | 0 | 107.3 | S2 F6 | S2-L4 PolarHBondContact O-N 2.84Å; L4-F6 PolarHBondContact O-N 3.39Å |
| 5 | T | 78 | Confident | 81.4 | Confident | 101 Ų | 101 | 151.3 Ų | 151.3 | 62% | 0.62 | 79% | 0.785 | S | S | * | * | | | trans | -86.5 | 108.1 | 179.8 | 60.7 | 0 | 0 | 0 | 0 | 108.8 | K3 R7 | K3-T5 PolarHBondContact O-N 3.26Å; T5-R7 PolarHBondContact O-N 3.29Å |
| 6 | F | 80.1 | Confident | 81.9 | Confident | 195 Ų | 195 | 156.8 Ų | 156.8 | 86% | 0.855 | 79% | 0.792 | S | S | * | * | | | trans | -72.8 | 115.2 | 161.3 | -171.8 | -100.9 | 0 | 0 | 0 | 107.9 | L4 | L4-F6 PolarHBondContact O-N 3.39Š|
| 7 | R | 79.9 | Confident | 82.2 | Confident | 207 Ų | 207 | 155.8 Ų | 155.8 | 78% | 0.781 | 79% | 0.789 | S | S | * | * | | | trans | -90.3 | 107.7 | 170.6 | -68.7 | -170.9 | 178.7 | -168.2 | -0.7 | 107.6 | T5 R9 | T5-R7 PolarHBondContact O-N 3.29Å; R7-R9 PolarHBondContact O-N 2.89Å; R7-R9 VanDerWaalsContact O-N 3.15Å |
| 8 | A | 82.9 | Confident | 82.6 | Confident | 89 Ų | 89 | 151.8 Ų | 151.8 | 74% | 0.736 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 122.4 | 167.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 9 | R | 83.8 | Confident | 82.9 | Confident | 230 Ų | 230 | 152.3 Ų | 152.3 | 87% | 0.868 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -94.4 | 140.2 | 171.6 | -60.8 | -170.4 | -168 | -169.7 | 4.7 | 107.6 | R7 L11 | R7-R9 PolarHBondContact O-N 2.89Å; R7-R9 VanDerWaalsContact O-N 3.15Å; R9-L11 PolarHBondContact O-N 2.99Å; R9-L11 VanDerWaalsContact O-N 3.15Å |
| 10 | A | 87.8 | Confident | 83.4 | Confident | 106 Ų | 106 | 151.8 Ų | 151.8 | 88% | 0.876 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 120.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 11 | L | 85.5 | Confident | 83.7 | Confident | 133 Ų | 133 | 153.4 Ų | 153.4 | 70% | 0.696 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -78 | 128.3 | 171.6 | -176.9 | 69 | 0 | 0 | 0 | 108 | R9 C13 | R9-L11 PolarHBondContact O-N 2.99Å; R9-L11 VanDerWaalsContact O-N 3.15Å; L11-C13 PolarHBondContact O-N 3.35Å |
| 12 | D | 90.4 | Very high | 85.2 | Confident | 66 Ų | 66 | 150.2 Ų | 150.2 | 35% | 0.353 | 75% | 0.746 | S | S | . | * | | | trans | -85.3 | 96.6 | 171.5 | -174 | -19.9 | 0 | 0 | 0 | 109 | I14 K15 | D12-I14 PolarHBondContact O-N 3.18Å; D12-I14 WeakPolarHBondContact OD1-CB 3.45Å; D12-I14 PolarHBondContact OD1-N 3.3Å; D12-K15 PolarHBondContact OD2-NZ 3.21Å; D12-K15 IonicContact OD2-NZ 2.7Å; D12-K15 WeakPolarHBondContact OD2-CG 3.32Å; D12-K15 WeakPolarHBondContact OD2-CE 3.45Å; D12-K15 WeakPolarHBondContact OD2-CD 3.48Å; D12-K15 PolarHBondContact O-N 3.29Å; D12-K15 HydrophobicContact CB-CG 4.03Å; D12-K15 HydrophobicContact CB-CD 3.9Å; D12-K15 HydrophobicContact CB-CB 4.24Å; D12-K15 PolarHBondContact OD1-N 3.05Å |
| 13 | C | 88 | Confident | 86 | Confident | 114 Ų | 114 | 151.9 Ų | 151.9 | 77% | 0.77 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.7 | -14.2 | -177.7 | -54.7 | 0 | 0 | 0 | 0 | 113.6 | L11 | L11-C13 PolarHBondContact O-N 3.35Š|
| 14 | I | 92.6 | Very high | 86.7 | Confident | 158 Ų | 158 | 148.6 Ų | 148.6 | 81% | 0.81 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.2 | -28.7 | 179.1 | -57.8 | 173.9 | 0 | 0 | 0 | 110.1 | D12 R16 | D12-I14 PolarHBondContact O-N 3.18Å; D12-I14 WeakPolarHBondContact OD1-CB 3.45Å; D12-I14 PolarHBondContact OD1-N 3.3Å; I14-R16 PolarHBondContact O-N 3.48Å |
| 15 | K | 90.8 | Very high | 87.3 | Confident | 142 Ų | 142 | 145 Ų | 145 | 62% | 0.617 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -67 | 120.6 | 175.5 | -76.7 | -178.9 | -178.4 | 113 | 0 | 110.2 | D12 L17 | D12-K15 PolarHBondContact OD2-NZ 3.21Å; D12-K15 IonicContact OD2-NZ 2.7Å; D12-K15 WeakPolarHBondContact OD2-CG 3.32Å; D12-K15 WeakPolarHBondContact OD2-CE 3.45Å; D12-K15 WeakPolarHBondContact OD2-CD 3.48Å; D12-K15 PolarHBondContact O-N 3.29Å; D12-K15 HydrophobicContact CB-CG 4.03Å; D12-K15 HydrophobicContact CB-CD 3.9Å; D12-K15 HydrophobicContact CB-CB 4.24Å; D12-K15 PolarHBondContact OD1-N 3.05Å; K15-L17 PolarHBondContact O-N 3.2Å |
| 16 | R | 89.9 | Confident | 87.7 | Confident | 239 Ų | 239 | 143.2 Ų | 143.2 | 90% | 0.902 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 127.1 | 169.9 | -70.5 | -173.2 | 175.2 | 89.3 | 0.2 | 109.3 | I14 | I14-R16 PolarHBondContact O-N 3.48Š|
| 17 | L | 86.4 | Confident | 87.8 | Confident | 139 Ų | 139 | 138.9 Ų | 138.9 | 73% | 0.728 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 135.3 | 169.8 | -64 | 175.9 | 0 | 0 | 0 | 109.2 | K15 L19 | K15-L17 PolarHBondContact O-N 3.2Å; L17-L19 PolarHBondContact O-N 3.05Å |
| 18 | S | 89.2 | Confident | 87.7 | Confident | 84 Ų | 84 | 135.4 Ų | 135.4 | 59% | 0.587 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 123.7 | 173.9 | -60.6 | 0 | 0 | 0 | 0 | 109.8 | | |
| 19 | L | 90 | Very high | 87.5 | Confident | 161 Ų | 161 | 134.5 Ų | 134.5 | 84% | 0.843 | 67% | 0.673 | S | S | * | * | | | trans | -92.8 | 109.6 | 171.4 | -64.1 | 176.7 | 0 | 0 | 0 | 108.3 | L17 | L17-L19 PolarHBondContact O-N 3.05Š|
| 20 | Y | 91.6 | Very high | 87.3 | Confident | 143 Ų | 143 | 129.9 Ų | 129.9 | 56% | 0.561 | 66% | 0.662 | S | S | * | * | | | trans | -93.2 | 138 | 174.7 | -64.8 | -80.9 | 0 | 0 | 0 | 110.2 | Q24 L25 | Y20-Q24 HydrophobicContact CD1-CB 4.11Å; Y20-L25 HydrophobicContact CG-CD2 4.16Å |
| 21 | R | 90.8 | Very high | 86.8 | Confident | 186 Ų | 186 | 130.9 Ų | 130.9 | 70% | 0.702 | 64% | 0.644 | S | S | * | * | | | trans | -79.9 | 160.4 | 165 | -61.2 | -63.4 | -171.6 | -164.2 | 0.5 | 109.9 | E23 Q24 L25 | R21-E23 PolarHBondContact O-N 3.42Å; R21-E23 WeakPolarHBondContact CB-OE2 3.22Å; R21-E23 VanDerWaalsContact CB-OE2 3.23Å; R21-Q24 HydrophobicContact CB-CG 4.38Å; R21-Q24 WeakPolarHBondContact O-CB 3.38Å; R21-Q24 PolarHBondContact O-N 3.15Å; R21-L25 PolarHBondContact O-N 3.15Å |
| 22 | K | 88 | Confident | 86.3 | Confident | 175 Ų | 175 | 127.1 Ų | 127.1 | 76% | 0.761 | 63% | 0.632 | S | S | * | * | G | 310 helix | trans | -55.8 | -36.8 | -177.4 | -175.3 | -177.9 | 176.7 | -174.8 | 0 | 111.7 | Q24 L25 | K22-Q24 PolarHBondContact O-N 3.33Å; K22-L25 PolarHBondContact O-N 3.3Å |
| 23 | E | 90.3 | Very high | 85.7 | Confident | 158 Ų | 158 | 128.3 Ų | 128.3 | 74% | 0.738 | 65% | 0.651 | S | S | * | * | G | 310 helix | trans | -74 | -15.4 | -178.2 | -51.3 | 72.4 | -152.5 | 0 | 0 | 112.9 | R21 | R21-E23 PolarHBondContact O-N 3.42Å; R21-E23 WeakPolarHBondContact CB-OE2 3.22Å; R21-E23 VanDerWaalsContact CB-OE2 3.23Å |
| 24 | Q | 91.6 | Very high | 85.2 | Confident | 119 Ų | 119 | 129.5 Ų | 129.5 | 56% | 0.556 | 65% | 0.649 | S | S | * | * | G | 310 helix | trans | -95.6 | -12.1 | 176.1 | -58 | 176.7 | -64 | 0 | 0 | 112.2 | Y20 R21 K22 | Y20-Q24 HydrophobicContact CD1-CB 4.11Å; R21-Q24 HydrophobicContact CB-CG 4.38Å; R21-Q24 WeakPolarHBondContact O-CB 3.38Å; R21-Q24 PolarHBondContact O-N 3.15Å; K22-Q24 PolarHBondContact O-N 3.33Å |
| 25 | L | 86.3 | Confident | 84.5 | Confident | 99 Ų | 99 | 128.6 Ų | 128.6 | 52% | 0.518 | 64% | 0.642 | S | S | . | * | S | Bend | trans | -81.6 | 134.8 | 175.8 | -65.9 | 176.6 | 0 | 0 | 0 | 108.6 | Y20 R21 K22 | Y20-L25 HydrophobicContact CG-CD2 4.16Å; R21-L25 PolarHBondContact O-N 3.15Å; K22-L25 PolarHBondContact O-N 3.3Å |
| 26 | P | 85.2 | Confident | 84.1 | Confident | 65 Ų | 65 | 132.8 Ų | 132.8 | 42% | 0.422 | 65% | 0.654 | S | S | . | * | P | Polyproline II helix | trans | -63.2 | 145.8 | 172.2 | 28.3 | -34.9 | 0 | 0 | 0 | 110.1 | L28 Y31 | P26-L28 PolarHBondContact O-N 3.21Å; P26-Y31 HydrophobicContact CB-CE2 3.52Å; P26-Y31 WeakPolarHBondContact CB-OH 3.23Å; P26-Y31 HydrophobicContact CG-CE2 3.38Å; P26-Y31 WeakPolarHBondContact CG-OH 3.37Å |
| 27 | D | 82.6 | Confident | 83.6 | Confident | 103 Ų | 103 | 126.9 Ų | 126.9 | 55% | 0.551 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 134.3 | -174.8 | -165.1 | -22.7 | 0 | 0 | 0 | 109.7 | A29 E30 | D27-A29 PolarHBondContact OD1-N 3.26Å; D27-A29 PolarHBondContact O-N 2.7Å; D27-A29 VanDerWaalsContact O-N 3.16Å; D27-E30 WeakPolarHBondContact O-CB 3.47Å; D27-E30 PolarHBondContact O-N 3.29Å; D27-E30 HydrophobicContact CB-CG 4.23Å |
| 28 | L | 77.1 | Confident | 83.3 | Confident | 134 Ų | 134 | 126 Ų | 126 | 70% | 0.702 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -58.7 | -31.6 | -179.8 | -169.3 | 68.1 | 0 | 0 | 0 | 111.1 | P26 E30 Y31 A32 | P26-L28 PolarHBondContact O-N 3.21Å; L28-E30 PolarHBondContact O-N 3.23Å; L28-Y31 PolarHBondContact O-N 2.95Å; L28-A32 PolarHBondContact O-N 3.34Å; L28-A32 VanDerWaalsContact O-N 3.12Å |
| 29 | A | 79.1 | Confident | 82.8 | Confident | 70 Ų | 70 | 127.1 Ų | 127.1 | 58% | 0.579 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -59.6 | -33.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | D27 Y31 A32 | D27-A29 PolarHBondContact OD1-N 3.26Å; D27-A29 PolarHBondContact O-N 2.7Å; D27-A29 VanDerWaalsContact O-N 3.16Å; A29-Y31 VanDerWaalsContact C-N 3.31Å; A29-Y31 PolarHBondContact O-N 3.05Å; A29-A32 PolarHBondContact O-N 3.3Å |
| 30 | E | 80 | Confident | 82.3 | Confident | 134 Ų | 134 | 124.1 Ų | 124.1 | 63% | 0.626 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -66.8 | -32.7 | 178.7 | -65.5 | 178.5 | -176.5 | 0 | 0 | 111.9 | D27 L28 | D27-E30 WeakPolarHBondContact O-CB 3.47Å; D27-E30 PolarHBondContact O-N 3.29Å; D27-E30 HydrophobicContact CB-CG 4.23Å; L28-E30 PolarHBondContact O-N 3.23Å |
| 31 | Y | 76.4 | Confident | 81.6 | Confident | 126 Ų | 126 | 124.4 Ų | 124.4 | 49% | 0.494 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -86.7 | -22.8 | 178.3 | -64.9 | -76.8 | 0 | 0 | 0 | 114 | P26 L28 A29 A33 N34 Q35 | P26-Y31 HydrophobicContact CB-CE2 3.52Å; P26-Y31 WeakPolarHBondContact CB-OH 3.23Å; P26-Y31 HydrophobicContact CG-CE2 3.38Å; P26-Y31 WeakPolarHBondContact CG-OH 3.37Å; L28-Y31 PolarHBondContact O-N 2.95Å; A29-Y31 VanDerWaalsContact C-N 3.31Å; A29-Y31 PolarHBondContact O-N 3.05Å; Y31-A33 VanDerWaalsContact O-N 3.15Å; Y31-A33 PolarHBondContact O-N 3.25Å; Y31-N34 PolarHBondContact O-N 3.33Å; Y31-Q35 PolarHBondContact O-N 3.17Å |
| 32 | A | 76.5 | Confident | 80.9 | Confident | 55 Ų | 55 | 119.4 Ų | 119.4 | 46% | 0.455 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -56.5 | -32.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L28 A29 N34 Q35 | L28-A32 PolarHBondContact O-N 3.34Å; L28-A32 VanDerWaalsContact O-N 3.12Å; A29-A32 PolarHBondContact O-N 3.3Å; A32-N34 VanDerWaalsContact C-N 3.26Å; A32-N34 PolarHBondContact O-N 2.97Å; A32-Q35 PolarHBondContact O-N 3.26Å; A32-Q35 VanDerWaalsContact O-N 3.14Å |
| 33 | A | 76.4 | Confident | 80.4 | Confident | 90 Ų | 90 | 117 Ų | 117 | 74% | 0.744 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.6 | -31.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y31 | Y31-A33 VanDerWaalsContact O-N 3.15Å; Y31-A33 PolarHBondContact O-N 3.25Å |
| 34 | N | 78.4 | Confident | 79.6 | Confident | 139 Ų | 139 | 113.1 Ų | 113.1 | 74% | 0.743 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.5 | -6.9 | 178.6 | -70.1 | -41.3 | 0 | 0 | 0 | 112.9 | Y31 A32 R36 | Y31-N34 PolarHBondContact O-N 3.33Å; A32-N34 VanDerWaalsContact C-N 3.26Å; A32-N34 PolarHBondContact O-N 2.97Å; N34-R36 PolarHBondContact O-N 3.19Å |
| 35 | Q | 78 | Confident | 78.6 | Confident | 139 Ų | 139 | 114.3 Ų | 114.3 | 65% | 0.65 | 67% | 0.668 | S | S | * | * | | | trans | -76.8 | 108 | -177.4 | -170.1 | 173 | -38.7 | 0 | 0 | 109.5 | Y31 A32 | Y31-Q35 PolarHBondContact O-N 3.17Å; A32-Q35 PolarHBondContact O-N 3.26Å; A32-Q35 VanDerWaalsContact O-N 3.14Å |
| 36 | R | 81.8 | Confident | 77.7 | Confident | 230 Ų | 230 | 117.1 Ų | 117.1 | 87% | 0.868 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 136.8 | 165.8 | -63.8 | -177.2 | -177 | -177.8 | 0.2 | 108.4 | N34 V38 | N34-R36 PolarHBondContact O-N 3.19Å; R36-V38 PolarHBondContact O-N 3.42Å |
| 37 | S | 79.3 | Confident | 77 | Confident | 115 Ų | 115 | 120.1 Ų | 120.1 | 80% | 0.804 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 128.3 | 173.9 | 49.5 | 0 | 0 | 0 | 0 | 109.6 | | |
| 38 | V | 79.6 | Confident | 76.6 | Confident | 121 Ų | 121 | 123.6 Ų | 123.6 | 73% | 0.733 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 132.3 | 167.2 | -176.2 | 0 | 0 | 0 | 0 | 106.1 | R36 A40 | R36-V38 PolarHBondContact O-N 3.42Å; V38-A40 PolarHBondContact O-N 3.37Å |
| 39 | P | 80.2 | Confident | 76.4 | Confident | 107 Ų | 107 | 125 Ų | 125 | 70% | 0.695 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -51 | 131.3 | 171.4 | -25.3 | 33.9 | 0 | 0 | 0 | 109.4 | M41 | P39-M41 PolarHBondContact O-N 3.27Š|
| 40 | A | 78.7 | Confident | 76 | Confident | 99 Ų | 99 | 127 Ų | 127 | 82% | 0.818 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 119.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 107.6 | V38 | V38-A40 PolarHBondContact O-N 3.37Š|
| 41 | M | 76.3 | Confident | 75.4 | Confident | 149 Ų | 149 | 127 Ų | 127 | 73% | 0.734 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -63 | 137.2 | 167.5 | -68.1 | -65.9 | -66 | 0 | 0 | 107 | P39 S43 | P39-M41 PolarHBondContact O-N 3.27Å; M41-S43 PolarHBondContact O-N 3.14Å |
| 42 | P | 77.7 | Confident | 75 | Confident | 80 Ų | 80 | 126 Ų | 126 | 52% | 0.519 | 71% | 0.706 | S | S | . | * | P | Polyproline II helix | trans | -58.8 | 117.7 | 173.8 | 25 | -33 | 0 | 0 | 0 | 108.5 | G44 M45 | P42-G44 PolarHBondContact O-N 3.22Å; P42-M45 HydrophobicContact CG-CG 3.98Å; P42-M45 HydrophobicContact CG-SD 3.57Å; P42-M45 VanDerWaalsContact CG-SD 3.57Å |
| 43 | S | 76.5 | Confident | 74.4 | Confident | 124 Ų | 124 | 127.2 Ų | 127.2 | 87% | 0.867 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66 | 131.1 | 169.4 | 52.2 | 0 | 0 | 0 | 0 | 108.5 | M41 | M41-S43 PolarHBondContact O-N 3.14Š|
| 44 | G | 73.6 | Confident | 73.6 | Confident | 77 Ų | 77 | 130.2 Ų | 130.2 | 79% | 0.794 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 105.3 | -1.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | P42 E46 | P42-G44 PolarHBondContact O-N 3.22Å; G44-E46 VanDerWaalsContact C-N 3.33Å; G44-E46 PolarHBondContact O-N 3.28Å |
| 45 | M | 70.8 | Confident | 72.8 | Confident | 144 Ų | 144 | 128.4 Ų | 128.4 | 71% | 0.709 | 72% | 0.718 | S | S | * | * | | | trans | -79.2 | 88.7 | 158.1 | -73.5 | -173.9 | 76.5 | 0 | 0 | 108.1 | P42 K47 | P42-M45 HydrophobicContact CG-CG 3.98Å; P42-M45 HydrophobicContact CG-SD 3.57Å; P42-M45 VanDerWaalsContact CG-SD 3.57Å; M45-K47 PolarHBondContact O-N 3.01Å |
| 46 | E | 68.4 | Low | 71.8 | Confident | 158 Ų | 158 | 133.1 Ų | 133.1 | 74% | 0.738 | 74% | 0.742 | S | S | * | * | | | trans | -55.4 | 128.3 | 169.4 | -66.2 | -175.6 | 167.2 | 0 | 0 | 108.8 | G44 | G44-E46 VanDerWaalsContact C-N 3.33Å; G44-E46 PolarHBondContact O-N 3.28Å |
| 47 | K | 70.2 | Confident | 71.3 | Confident | 128 Ų | 128 | 128.3 Ų | 128.3 | 56% | 0.557 | 74% | 0.736 | S | S | * | * | | | trans | -79.7 | 135.4 | 169.2 | -68.6 | 178 | -176.6 | 170 | 0 | 107.5 | M45 E49 E50 | M45-K47 PolarHBondContact O-N 3.01Å; K47-E49 PolarHBondContact O-N 3.15Å; K47-E50 PolarHBondContact O-N 3.41Å; K47-E50 WeakPolarHBondContact O-CB 3.46Å; K47-E50 HydrophobicContact CB-CG 4.34Å |
| 48 | E | 73.4 | Confident | 70.9 | Confident | 177 Ų | 177 | 129 Ų | 129 | 83% | 0.827 | 73% | 0.733 | S | S | * | * | H | α-helix | trans | -49.9 | -32.9 | 177.6 | -69.9 | 179.6 | 168.6 | 0 | 0 | 112.9 | E50 M51 | E48-E50 VanDerWaalsContact C-N 3.29Å; E48-E50 PolarHBondContact O-N 3.12Å; E48-M51 WeakPolarHBondContact O-CB 3.14Å; E48-M51 PolarHBondContact O-N 3.43Å |
| 49 | E | 73.6 | Confident | 70.4 | Confident | 163 Ų | 163 | 129.4 Ų | 129.4 | 76% | 0.762 | 73% | 0.733 | S | S | * | * | H | α-helix | trans | -63.4 | -28.9 | 177.9 | -63.2 | 176.5 | 178.3 | 0 | 0 | 113.8 | K47 | K47-E49 PolarHBondContact O-N 3.15Å |
| 50 | E | 70.8 | Confident | 69.8 | Low | 113 Ų | 113 | 130.8 Ų | 130.8 | 53% | 0.528 | 74% | 0.735 | S | S | . | * | H | α-helix | trans | -76.9 | -26.9 | 178.4 | -65.1 | 171.1 | -171.6 | 0 | 0 | 111.5 | K47 E48 | K47-E50 PolarHBondContact O-N 3.41Å; K47-E50 WeakPolarHBondContact O-CB 3.46Å; K47-E50 HydrophobicContact CB-CG 4.34Å; E48-E50 VanDerWaalsContact C-N 3.29Å; E48-E50 PolarHBondContact O-N 3.12Å |
| 51 | M | 67.1 | Low | 69.2 | Low | 134 Ų | 134 | 132.8 Ų | 132.8 | 66% | 0.66 | 73% | 0.73 | S | S | * | * | H | α-helix | trans | -73.1 | -33.1 | 178.7 | -167.7 | 176.9 | 127.7 | 0 | 0 | 112.1 | E48 A53 L54 | E48-M51 WeakPolarHBondContact O-CB 3.14Å; E48-M51 PolarHBondContact O-N 3.43Å; M51-A53 VanDerWaalsContact C-N 3.3Å; M51-A53 PolarHBondContact O-N 3.18Å; M51-L54 PolarHBondContact O-N 3.32Å |
| 52 | V | 67.5 | Low | 68.8 | Low | 104 Ų | 104 | 131.7 Ų | 131.7 | 63% | 0.63 | 73% | 0.729 | S | S | * | * | H | α-helix | trans | -62.9 | -38.9 | -179.9 | -177.7 | 0 | 0 | 0 | 0 | 111.1 | L54 S55 | V52-L54 PolarHBondContact O-N 2.97Å; V52-S55 PolarHBondContact O-N 3.16Å; V52-S55 PolarHBondContact O-OG 3.19Å |
| 53 | A | 64.5 | Low | 68.1 | Low | 80 Ų | 80 | 135.4 Ų | 135.4 | 66% | 0.661 | 74% | 0.744 | S | S | * | * | H | α-helix | trans | -66.1 | -23.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114 | M51 | M51-A53 VanDerWaalsContact C-N 3.3Å; M51-A53 PolarHBondContact O-N 3.18Å |
| 54 | L | 59.8 | Low | 67.5 | Low | 153 Ų | 153 | 136.2 Ų | 136.2 | 80% | 0.801 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.2 | -10.6 | 178.4 | -79.1 | 158 | 0 | 0 | 0 | 113.3 | M51 V52 | M51-L54 PolarHBondContact O-N 3.32Å; V52-L54 PolarHBondContact O-N 2.97Å |
| 55 | S | 61.8 | Low | 67 | Low | 102 Ų | 102 | 141.2 Ų | 141.2 | 71% | 0.713 | 73% | 0.73 | S | S | * | * | | | trans | -93.6 | 2.3 | -175.7 | 69.8 | 0 | 0 | 0 | 0 | 114.9 | V52 | V52-S55 PolarHBondContact O-N 3.16Å; V52-S55 PolarHBondContact O-OG 3.19Å |
| 56 | M | 56.1 | Low | 66.6 | Low | 238 Ų | 238 | 140.9 Ų | 140.9 | 100% | 1.172 | 73% | 0.732 | S | S | * | * | | | trans | -112 | 0 | 177.9 | -168 | 173.3 | 175 | 0 | 0 | 110.9 | | |