| 1 | M | 46.6 | Very low | 63.5 | Low | 240 Ų | 240 | 139 Ų | 139 | 100% | 1.182 | 72% | 0.723 | S | S | * | * | | | | 0 | 101.4 | 0 | -64.6 | 179.4 | 79 | 0 | 0 | 108.3 | | |
| 2 | S | 57.8 | Low | 63.7 | Low | 128 Ų | 128 | 140.3 Ų | 140.3 | 90% | 0.895 | 71% | 0.713 | S | S | * | * | | | trans | -124.9 | 113.7 | 159.4 | -84.2 | 0 | 0 | 0 | 0 | 106.6 | | |
| 3 | A | 61.5 | Low | 64.3 | Low | 97 Ų | 97 | 139 Ų | 139 | 80% | 0.802 | 71% | 0.708 | S | S | * | * | | | trans | -54.7 | 137.8 | -169.7 | 0 | 0 | 0 | 0 | 0 | 111 | R5 | A3-R5 PolarHBondContact O-N 3.33Š|
| 4 | R | 62.9 | Low | 64.8 | Low | 237 Ų | 237 | 137.3 Ų | 137.3 | 89% | 0.894 | 71% | 0.708 | S | S | * | * | | | trans | 13.4 | 101.5 | 153.2 | -72.8 | 175.1 | 164.4 | 98.6 | -0.9 | 113.3 | H6 | R4-H6 PolarHBondContact O-N 3.08Š|
| 5 | R | 63.1 | Low | 65.2 | Low | 239 Ų | 239 | 137.7 Ų | 137.7 | 90% | 0.902 | 70% | 0.697 | S | S | * | * | | | trans | -46.2 | 108.6 | 162 | -53.1 | -179.5 | 80.7 | -158.4 | 4.7 | 106 | A3 I7 | A3-R5 PolarHBondContact O-N 3.33Å; R5-I7 PolarHBondContact O-N 2.87Å; R5-I7 VanDerWaalsContact O-N 3.08Å |
| 6 | H | 64.2 | Low | 65.8 | Low | 131 Ų | 131 | 141.9 Ų | 141.9 | 61% | 0.606 | 70% | 0.702 | S | S | * | * | | | trans | -53.2 | 120.8 | -175.7 | -172.5 | -86.6 | 0 | 0 | 0 | 107.3 | R4 G8 | R4-H6 PolarHBondContact O-N 3.08Å; H6-G8 PolarHBondContact ND1-O 2.96Å; H6-G8 PolarHBondContact O-N 2.83Å |
| 7 | I | 67.5 | Low | 66.2 | Low | 167 Ų | 167 | 138.5 Ų | 138.5 | 86% | 0.856 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -65.7 | 105.8 | -177.5 | -67.8 | 156.7 | 0 | 0 | 0 | 106 | R5 | R5-I7 PolarHBondContact O-N 2.87Å; R5-I7 VanDerWaalsContact O-N 3.08Å |
| 8 | G | 65.2 | Low | 66.8 | Low | 52 Ų | 52 | 137.3 Ų | 137.3 | 54% | 0.536 | 69% | 0.69 | S | S | . | * | S | Bend | trans | 79.6 | 149 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | H6 | H6-G8 PolarHBondContact ND1-O 2.96Å; H6-G8 PolarHBondContact O-N 2.83Å |
| 9 | N | 68.9 | Low | 67.3 | Low | 66 Ų | 66 | 137.7 Ų | 137.7 | 35% | 0.353 | 69% | 0.689 | S | S | . | * | | | trans | -65 | 121.4 | 172.1 | 177.6 | -3.5 | 0 | 0 | 0 | 108.7 | E11 Y12 | N9-E11 PolarHBondContact ND2-OE2 3.07Å; N9-E11 PolarHBondContact O-N 3.5Å; N9-E11 VanDerWaalsContact OD1-CB 3.25Å; N9-E11 WeakPolarHBondContact OD1-CB 3.2Å; N9-E11 WeakPolarHBondContact OD1-CG 3.25Å; N9-E11 PolarHBondContact OD1-N 3.06Å; N9-Y12 HydrophobicContact CB-CD2 3.89Å; N9-Y12 HydrophobicContact CB-CE2 3.96Å; N9-Y12 PolarHBondContact O-N 3.14Å; N9-Y12 VanDerWaalsContact O-N 3.14Å |
| 10 | P | 68.9 | Low | 67.9 | Low | 68 Ų | 68 | 135.2 Ų | 135.2 | 44% | 0.442 | 68% | 0.678 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -59.3 | -18.9 | 179.6 | 25.6 | -35.4 | 0 | 0 | 0 | 113 | Y12 L13 T14 | P10-Y12 PolarHBondContact O-N 3.06Å; P10-L13 PolarHBondContact O-N 3Å; P10-T14 PolarHBondContact O-N 3.46Å |
| 11 | E | 71.4 | Confident | 68.3 | Low | 104 Ų | 104 | 133.7 Ų | 133.7 | 49% | 0.486 | 68% | 0.678 | S | S | . | * | H | α-helix | trans | -57.9 | -28.1 | 174.9 | -70.1 | 172.9 | 178.9 | 0 | 0 | 113.5 | N9 T14 R15 | N9-E11 PolarHBondContact ND2-OE2 3.07Å; N9-E11 PolarHBondContact O-N 3.5Å; N9-E11 VanDerWaalsContact OD1-CB 3.25Å; N9-E11 WeakPolarHBondContact OD1-CB 3.2Å; N9-E11 WeakPolarHBondContact OD1-CG 3.25Å; N9-E11 PolarHBondContact OD1-N 3.06Å; E11-T14 PolarHBondContact O-OG1 2.84Å; E11-T14 VanDerWaalsContact O-OG1 3.12Å; E11-R15 VanDerWaalsContact O-CG 3.25Å; E11-R15 WeakPolarHBondContact O-CG 3.25Å; E11-R15 PolarHBondContact O-N 3.19Å |
| 12 | Y | 67 | Low | 69.9 | Low | 154 Ų | 154 | 130.7 Ų | 130.7 | 60% | 0.604 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -76.2 | -29 | 177.4 | -67.1 | -73 | 0 | 0 | 0 | 112.5 | N9 P10 | N9-Y12 HydrophobicContact CB-CD2 3.89Å; N9-Y12 HydrophobicContact CB-CE2 3.96Å; N9-Y12 PolarHBondContact O-N 3.14Å; N9-Y12 VanDerWaalsContact O-N 3.14Å; P10-Y12 PolarHBondContact O-N 3.06Å |
| 13 | L | 70.3 | Confident | 70.9 | Confident | 124 Ų | 124 | 130.3 Ų | 130.3 | 65% | 0.649 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -77.4 | -26.1 | 178.3 | -58.8 | 174.9 | 0 | 0 | 0 | 111.7 | P10 | P10-L13 PolarHBondContact O-N 3Å |
| 14 | T | 72.3 | Confident | 71.6 | Confident | 115 Ų | 115 | 132.8 Ų | 132.8 | 71% | 0.706 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -85.2 | -16.1 | 176 | 59.7 | 0 | 0 | 0 | 0 | 113.3 | P10 E11 R16 | P10-T14 PolarHBondContact O-N 3.46Å; E11-T14 PolarHBondContact O-OG1 2.84Å; E11-T14 VanDerWaalsContact O-OG1 3.12Å; T14-R16 PolarHBondContact O-N 3.21Å |
| 15 | R | 70.6 | Confident | 72.4 | Confident | 144 Ų | 144 | 128.7 Ų | 128.7 | 54% | 0.543 | 62% | 0.619 | S | S | . | * | S | Bend | trans | -67.7 | 120.4 | 176.7 | -79 | 169.8 | -162.1 | -161.4 | 4.7 | 109.7 | E11 I17 | E11-R15 VanDerWaalsContact O-CG 3.25Å; E11-R15 WeakPolarHBondContact O-CG 3.25Å; E11-R15 PolarHBondContact O-N 3.19Å; R15-I17 PolarHBondContact O-N 3.25Å |
| 16 | R | 73.9 | Confident | 73 | Confident | 204 Ų | 204 | 121.7 Ų | 121.7 | 77% | 0.77 | 60% | 0.602 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 120.9 | 172.8 | -177.7 | 173.5 | 174.5 | 148.2 | -3.1 | 109.2 | T14 | T14-R16 PolarHBondContact O-N 3.21Š|
| 17 | I | 74 | Confident | 73.3 | Confident | 85 Ų | 85 | 123.8 Ų | 123.8 | 44% | 0.436 | 61% | 0.61 | S | S | . | * | P | Polyproline II helix | trans | -62.2 | 128.5 | 178.8 | -62.1 | 162.9 | 0 | 0 | 0 | 108.4 | R15 Q19 F41 | R15-I17 PolarHBondContact O-N 3.25Å; I17-Q19 PolarHBondContact O-N 3.37Å; I17-Q19 VanDerWaalsContact O-N 3.16Å; I17-F41 HydrophobicContact CG2-CZ 3.6Å; I17-F41 HydrophobicContact CG2-CE1 3.32Å; I17-F41 HydrophobicContact CG2-CD1 4.42Å; I17-F41 HydrophobicContact CG1-CE1 3.97Å; I17-F41 HydrophobicContact CG1-CD1 4.33Å; I17-F41 HydrophobicContact CD1-CZ 4.08Å; I17-F41 HydrophobicContact CD1-CE1 3.26Å; I17-F41 HydrophobicContact CD1-CG 4.11Å; I17-F41 HydrophobicContact CB-CD1 4.28Å; I17-F41 HydrophobicContact CB-CE1 3.55Å; I17-F41 HydrophobicContact CD1-CD1 3.25Å; I17-F41 HydrophobicContact CB-CZ 4.33Å |
| 18 | P | 75.8 | Confident | 73.4 | Confident | 117 Ų | 117 | 119.5 Ų | 119.5 | 76% | 0.76 | 60% | 0.595 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 122.4 | -179.2 | 23.5 | -34 | 0 | 0 | 0 | 109.7 | N20 | P18-N20 PolarHBondContact O-N 3.12Š|
| 19 | Q | 76.8 | Confident | 73.6 | Confident | 145 Ų | 145 | 128.2 Ų | 128.2 | 68% | 0.678 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 123.8 | 169.1 | -69.9 | -177.8 | -25.2 | 0 | 0 | 107.5 | I17 P21 | I17-Q19 PolarHBondContact O-N 3.37Å; I17-Q19 VanDerWaalsContact O-N 3.16Å; Q19-P21 VanDerWaalsContact O-CD 3.31Å; Q19-P21 WeakPolarHBondContact O-CD 3.31Å |
| 20 | N | 78.4 | Confident | 73.7 | Confident | 87 Ų | 87 | 131 Ų | 131 | 47% | 0.465 | 63% | 0.626 | S | S | . | * | | | trans | -70.6 | 115.6 | -179.7 | -171.1 | -25 | 0 | 0 | 0 | 109.4 | P18 R22 Y23 Q24 | P18-N20 PolarHBondContact O-N 3.12Å; N20-R22 WeakPolarHBondContact OD1-CB 3.49Å; N20-R22 VanDerWaalsContact OD1-N 3.11Å; N20-R22 PolarHBondContact OD1-N 3.17Å; N20-R22 VanDerWaalsContact OD1-CB 3.26Å; N20-R22 VanDerWaalsContact O-N 3.15Å; N20-R22 PolarHBondContact O-N 3.11Å; N20-Y23 HydrophobicContact CB-CD2 3.96Å; N20-Y23 WeakPolarHBondContact ND2-CE2 3.26Å; N20-Y23 PolarHBondContact O-N 3.35Å; N20-Q24 PolarHBondContact O-N 3.29Å |
| 21 | P | 77.7 | Confident | 73.4 | Confident | 103 Ų | 103 | 135.6 Ų | 135.6 | 67% | 0.669 | 65% | 0.647 | S | S | * | * | G | 310 helix | trans | -60.8 | -28.5 | -176.7 | 24.3 | -34 | 0 | 0 | 0 | 112.2 | Q19 Y23 Q24 | Q19-P21 VanDerWaalsContact O-CD 3.31Å; Q19-P21 WeakPolarHBondContact O-CD 3.31Å; P21-Y23 PolarHBondContact O-N 3.26Å; P21-Q24 PolarHBondContact O-N 3.19Å |
| 22 | R | 80.6 | Confident | 72.9 | Confident | 178 Ų | 178 | 136 Ų | 136 | 67% | 0.672 | 66% | 0.656 | S | S | * | * | G | 310 helix | trans | -60.5 | -27.6 | 177.4 | -172.4 | 177.7 | 173.7 | -167.7 | -2.9 | 113 | N20 H25 | N20-R22 WeakPolarHBondContact OD1-CB 3.49Å; N20-R22 VanDerWaalsContact OD1-N 3.11Å; N20-R22 PolarHBondContact OD1-N 3.17Å; N20-R22 VanDerWaalsContact OD1-CB 3.26Å; N20-R22 VanDerWaalsContact O-N 3.15Å; N20-R22 PolarHBondContact O-N 3.11Å; R22-H25 PolarHBondContact O-CE1 2.87Å |
| 23 | Y | 77.1 | Confident | 72.3 | Confident | 120 Ų | 120 | 133 Ų | 133 | 47% | 0.471 | 66% | 0.663 | S | S | . | * | G | 310 helix | trans | -114.3 | 8.4 | -175.8 | -56.6 | -68.2 | 0 | 0 | 0 | 113.5 | N20 P21 H25 V26 | N20-Y23 HydrophobicContact CB-CD2 3.96Å; N20-Y23 WeakPolarHBondContact ND2-CE2 3.26Å; N20-Y23 PolarHBondContact O-N 3.35Å; P21-Y23 PolarHBondContact O-N 3.26Å; Y23-H25 PolarHBondContact O-N 3.42Å; Y23-H25 VanDerWaalsContact O-N 3.15Å; Y23-V26 HydrophobicContact CD1-CG2 4.5Å; Y23-V26 PolarHBondContact O-N 3.16Å |
| 24 | Q | 76.8 | Confident | 71.4 | Confident | 148 Ų | 148 | 132.8 Ų | 132.8 | 69% | 0.692 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.6 | -32.2 | -178.5 | -174.3 | 178.4 | 12.6 | 0 | 0 | 113.3 | N20 P21 | N20-Q24 PolarHBondContact O-N 3.29Å; P21-Q24 PolarHBondContact O-N 3.19Å |
| 25 | H | 79.1 | Confident | 70.7 | Confident | 151 Ų | 151 | 130.2 Ų | 130.2 | 70% | 0.699 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | -12.7 | 179.1 | 56.8 | -91.3 | 0 | 0 | 0 | 113.2 | R22 Y23 K27 | R22-H25 PolarHBondContact O-CE1 2.87Å; Y23-H25 PolarHBondContact O-N 3.42Å; Y23-H25 VanDerWaalsContact O-N 3.15Å; H25-K27 PolarHBondContact O-N 3.28Å |
| 26 | V | 76.6 | Confident | 69.7 | Low | 92 Ų | 92 | 127.7 Ų | 127.7 | 56% | 0.558 | 67% | 0.665 | S | S | * | * | | | trans | -92.2 | 86.3 | 179.9 | -173.7 | 0 | 0 | 0 | 0 | 108.6 | Y23 | Y23-V26 HydrophobicContact CD1-CG2 4.5Å; Y23-V26 PolarHBondContact O-N 3.16Å |
| 27 | K | 69.5 | Low | 68.8 | Low | 175 Ų | 175 | 123.7 Ų | 123.7 | 76% | 0.761 | 66% | 0.656 | S | S | * | * | | | trans | -82.5 | 139.9 | 168.3 | -63 | -178.9 | -176.3 | 178 | 0 | 108.9 | H25 R29 | H25-K27 PolarHBondContact O-N 3.28Å; K27-R29 PolarHBondContact O-N 2.97Å |
| 28 | S | 69.6 | Low | 67.8 | Low | 77 Ų | 77 | 126.8 Ų | 126.8 | 54% | 0.538 | 67% | 0.672 | S | S | . | * | | | trans | -61.2 | 121.4 | 170.2 | 46.2 | 0 | 0 | 0 | 0 | 108.4 | L30 | S28-L30 PolarHBondContact O-N 3.15Š|
| 29 | R | 70.8 | Confident | 66.7 | Low | 236 Ų | 236 | 130.4 Ų | 130.4 | 89% | 0.891 | 67% | 0.671 | S | S | * | * | | | trans | -82.6 | 15.2 | -178.6 | -62.9 | -176.2 | -68.2 | 152.7 | -0.7 | 113.1 | K27 D31 | K27-R29 PolarHBondContact O-N 2.97Å; R29-D31 PolarHBondContact O-N 3.42Å |
| 30 | L | 71.1 | Confident | 65.6 | Low | 124 Ų | 124 | 129.1 Ų | 129.1 | 65% | 0.649 | 67% | 0.672 | S | S | * | * | | | trans | -88.5 | 98.3 | 177.9 | -71.5 | 176.3 | 0 | 0 | 0 | 107.6 | S28 T32 | S28-L30 PolarHBondContact O-N 3.15Å; L30-T32 PolarHBondContact O-N 3.15Å |
| 31 | D | 61.9 | Low | 64.4 | Low | 165 Ų | 165 | 131.3 Ų | 131.3 | 88% | 0.882 | 68% | 0.678 | S | S | * | * | | | trans | -69.8 | 33.9 | 167.6 | -70 | -32 | 0 | 0 | 0 | 111.7 | R29 A33 | R29-D31 PolarHBondContact O-N 3.42Å; D31-A33 PolarHBondContact O-N 3.2Å; D31-A33 VanDerWaalsContact O-N 3.11Å |
| 32 | T | 60.4 | Low | 63.1 | Low | 111 Ų | 111 | 129.2 Ų | 129.2 | 68% | 0.681 | 68% | 0.675 | S | S | * | * | | | trans | -73.5 | 105.7 | 166.1 | -44.5 | 0 | 0 | 0 | 0 | 106.3 | L30 C34 | L30-T32 PolarHBondContact O-N 3.15Å; T32-C34 PolarHBondContact O-N 3.04Å; T32-C34 VanDerWaalsContact O-N 3.07Å |
| 33 | A | 55.6 | Low | 61.4 | Low | 91 Ų | 91 | 130.4 Ų | 130.4 | 75% | 0.752 | 69% | 0.693 | S | S | * | * | | | trans | -39.1 | 119 | 165.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | D31 | D31-A33 PolarHBondContact O-N 3.2Å; D31-A33 VanDerWaalsContact O-N 3.11Å |
| 34 | C | 51.4 | Low | 60.6 | Low | 120 Ų | 120 | 131 Ų | 131 | 81% | 0.811 | 70% | 0.704 | S | S | * | * | S | Bend | trans | 77.4 | 117.3 | 155 | -145.2 | 0 | 0 | 0 | 0 | 119.3 | T32 | T32-C34 PolarHBondContact O-N 3.04Å; T32-C34 VanDerWaalsContact O-N 3.07Å |
| 35 | A | 56.3 | Low | 59.7 | Low | 62 Ų | 62 | 130.1 Ų | 130.1 | 51% | 0.512 | 71% | 0.705 | S | S | . | * | | | trans | 87.5 | 9.6 | 130.1 | 0 | 0 | 0 | 0 | 0 | 123.7 | | |
| 36 | S | 51.2 | Low | 58.7 | Low | 90 Ų | 90 | 128.9 Ų | 128.9 | 63% | 0.629 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -94.9 | -35.6 | 174.4 | 60.6 | 0 | 0 | 0 | 0 | 115.8 | | |
| 37 | Q | 53.6 | Low | 57.6 | Low | 121 Ų | 121 | 131.1 Ų | 131.1 | 57% | 0.565 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | -24.9 | -171.1 | -62.2 | -173.8 | 24.3 | 0 | 0 | 114.9 | R39 | Q37-R39 VanDerWaalsContact C-N 3.35Š|
| 38 | L | 53.4 | Low | 56.9 | Low | 149 Ų | 149 | 128.3 Ų | 128.3 | 78% | 0.78 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.2 | -14.9 | 171.6 | -79.4 | 170.3 | 0 | 0 | 0 | 113.1 | V40 F41 G42 | L38-V40 VanDerWaalsContact C-N 3.33Å; L38-F41 PolarHBondContact O-N 3.11Å; L38-G42 PolarHBondContact O-N 3.37Å |
| 39 | R | 53.9 | Low | 56 | Low | 194 Ų | 194 | 131.7 Ų | 131.7 | 73% | 0.732 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.8 | -21.5 | 175.2 | -161.6 | -178.7 | -74.2 | -131.4 | 0.5 | 112.5 | Q37 G42 | Q37-R39 VanDerWaalsContact C-N 3.35Å; R39-G42 PolarHBondContact O-N 2.99Å |
| 40 | V | 52.7 | Low | 55 | Low | 117 Ų | 117 | 124.3 Ų | 124.3 | 71% | 0.709 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.3 | -15 | 171.4 | -175.6 | 0 | 0 | 0 | 0 | 111.8 | L38 | L38-V40 VanDerWaalsContact C-N 3.33Š|
| 41 | F | 52.9 | Low | 53.7 | Low | 133 Ų | 133 | 124.3 Ų | 124.3 | 58% | 0.583 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.5 | 9.8 | 175.1 | -110.5 | -115.1 | 0 | 0 | 0 | 113.1 | I17 L38 | I17-F41 HydrophobicContact CG2-CZ 3.6Å; I17-F41 HydrophobicContact CG2-CE1 3.32Å; I17-F41 HydrophobicContact CG2-CD1 4.42Å; I17-F41 HydrophobicContact CG1-CE1 3.97Å; I17-F41 HydrophobicContact CG1-CD1 4.33Å; I17-F41 HydrophobicContact CD1-CZ 4.08Å; I17-F41 HydrophobicContact CD1-CE1 3.26Å; I17-F41 HydrophobicContact CD1-CG 4.11Å; I17-F41 HydrophobicContact CB-CD1 4.28Å; I17-F41 HydrophobicContact CB-CE1 3.55Å; I17-F41 HydrophobicContact CD1-CD1 3.25Å; I17-F41 HydrophobicContact CB-CZ 4.33Å; L38-F41 PolarHBondContact O-N 3.11Å |
| 42 | G | 50 | Low | 53.1 | Low | 59 Ų | 59 | 120.9 Ų | 120.9 | 61% | 0.608 | 70% | 0.701 | S | S | * | * | | | trans | -122.3 | 20.2 | -170.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | L38 R39 | L38-G42 PolarHBondContact O-N 3.37Å; R39-G42 PolarHBondContact O-N 2.99Å |
| 43 | I | 45.5 | Very low | 52.4 | Low | 204 Ų | 204 | 121.8 Ų | 121.8 | 100% | 1.046 | 70% | 0.703 | S | S | * | * | | | trans | -128.4 | 0 | 163.2 | 53.1 | 169.4 | 0 | 0 | 0 | 110.2 | | |