| 1 | M | 42.2 | Very low | 56.9 | Low | 242 Ų | 242 | 156.7 Ų | 156.7 | 100% | 1.192 | 84% | 0.835 | S | S | * | * | | | | 0 | 106.2 | 0 | -72.3 | 172.3 | 171.6 | 0 | 0 | 106.5 | | |
| 2 | S | 58.5 | Low | 56.8 | Low | 114 Ų | 114 | 160.2 Ų | 160.2 | 80% | 0.797 | 85% | 0.847 | S | S | * | * | | | trans | -89.7 | 116.4 | 176.5 | 51.7 | 0 | 0 | 0 | 0 | 108.7 | V4 | S2-V4 PolarHBondContact O-N 3.32Š|
| 3 | E | 56.3 | Low | 56.4 | Low | 190 Ų | 190 | 157.9 Ų | 157.9 | 89% | 0.888 | 85% | 0.852 | S | S | * | * | | | trans | -71.3 | 115.1 | 173.4 | -66.2 | -175.9 | 169.8 | 0 | 0 | 109.2 | | |
| 4 | V | 61.1 | Low | 55.6 | Low | 133 Ų | 133 | 151.8 Ų | 151.8 | 81% | 0.806 | 85% | 0.845 | S | S | * | * | | | trans | -77.6 | 121.2 | 170.2 | 166 | 0 | 0 | 0 | 0 | 107.6 | S2 | S2-V4 PolarHBondContact O-N 3.32Š|
| 5 | L | 61.9 | Low | 54.9 | Low | 141 Ų | 141 | 158.1 Ų | 158.1 | 74% | 0.738 | 85% | 0.853 | S | S | * | * | | | trans | -69.6 | 145.7 | 175.5 | -74.1 | 172.7 | 0 | 0 | 0 | 111.3 | Y7 | L5-Y7 PolarHBondContact O-N 2.83Š|
| 6 | P | 61.1 | Low | 53.8 | Low | 107 Ų | 107 | 152.9 Ų | 152.9 | 70% | 0.695 | 85% | 0.847 | S | S | * | * | S | Bend | trans | -86.4 | 75.9 | -171.1 | 36.4 | -34.3 | 0 | 0 | 0 | 110.7 | | |
| 7 | Y | 55.3 | Low | 53.3 | Low | 218 Ų | 218 | 152.6 Ų | 152.6 | 86% | 0.855 | 84% | 0.844 | S | S | * | * | | | trans | -116.1 | 76.5 | 155.3 | -70.2 | -76.1 | 0 | 0 | 0 | 107.4 | L5 E9 | L5-Y7 PolarHBondContact O-N 2.83Å; Y7-E9 PolarHBondContact O-N 3.31Å |
| 8 | S | 57.3 | Low | 52.9 | Low | 109 Ų | 109 | 149.4 Ų | 149.4 | 76% | 0.762 | 83% | 0.834 | S | S | * | * | | | trans | -58.7 | 122 | 170 | 49 | 0 | 0 | 0 | 0 | 109.2 | G10 | S8-G10 VanDerWaalsContact C-N 3.29Å; S8-G10 PolarHBondContact O-N 3Å |
| 9 | E | 57.3 | Low | 52.6 | Low | 206 Ų | 206 | 151.3 Ų | 151.3 | 96% | 0.963 | 84% | 0.836 | S | S | * | * | S | Bend | trans | -55.2 | 87.4 | 168.8 | -169 | -152.5 | -178.8 | 0 | 0 | 110.3 | Y7 | Y7-E9 PolarHBondContact O-N 3.31Š|
| 10 | G | 58.3 | Low | 52.6 | Low | 58 Ų | 58 | 148.4 Ų | 148.4 | 60% | 0.598 | 83% | 0.832 | S | S | * | * | | | trans | -177.8 | 58.9 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114 | S8 | S8-G10 VanDerWaalsContact C-N 3.29Å; S8-G10 PolarHBondContact O-N 3Å |
| 11 | K | 57.1 | Low | 52.7 | Low | 206 Ų | 206 | 145.9 Ų | 145.9 | 90% | 0.896 | 82% | 0.824 | S | S | * | * | | | trans | -172.2 | 73.7 | 141.8 | -75.9 | -131.7 | -177 | -176.6 | 0 | 109.7 | | |
| 12 | M | 55.2 | Low | 53.3 | Low | 198 Ų | 198 | 142.7 Ų | 142.7 | 98% | 0.975 | 81% | 0.807 | S | S | * | * | | | trans | -127 | 70.3 | 160 | -153.7 | 82.2 | 107.2 | 0 | 0 | 108 | | |
| 13 | S | 51.6 | Low | 53.4 | Low | 131 Ų | 131 | 142 Ų | 142 | 92% | 0.916 | 80% | 0.798 | S | S | * | * | | | trans | -130.9 | 112.9 | 167.1 | -168.5 | 0 | 0 | 0 | 0 | 107.4 | | |
| 14 | G | 45.5 | Very low | 53.7 | Low | 72 Ų | 72 | 137.5 Ų | 137.5 | 74% | 0.742 | 79% | 0.787 | S | S | * | * | | | trans | 157.5 | 67.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | G16 | G14-G16 PolarHBondContact O-N 3.06Š|
| 15 | Y | 45.7 | Very low | 53.3 | Low | 247 Ų | 247 | 139 Ų | 139 | 97% | 0.969 | 78% | 0.783 | S | S | * | * | | | trans | -60.5 | 126.3 | 164.4 | -96.4 | -94.6 | 0 | 0 | 0 | 109 | | |
| 16 | G | 36.6 | Very low | 53.2 | Low | 74 Ų | 74 | 138.2 Ų | 138.2 | 76% | 0.763 | 79% | 0.789 | S | S | * | * | | | trans | -151.1 | 95.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | G14 | G14-G16 PolarHBondContact O-N 3.06Š|
| 17 | D | 45.4 | Very low | 53.2 | Low | 149 Ų | 149 | 137.4 Ų | 137.4 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | | | trans | -60.9 | 124.5 | 175.6 | 177.6 | 38.9 | 0 | 0 | 0 | 111.9 | | |
| 18 | S | 45.2 | Very low | 53.6 | Low | 95 Ų | 95 | 130.2 Ų | 130.2 | 66% | 0.664 | 78% | 0.777 | S | S | * | * | | | trans | 174.7 | 104.4 | 146.4 | -83.1 | 0 | 0 | 0 | 0 | 110.8 | A20 | S18-A20 VanDerWaalsContact C-N 3.32Å; S18-A20 PolarHBondContact O-N 3.18Å |
| 19 | E | 48.1 | Very low | 53.8 | Low | 185 Ų | 185 | 132.7 Ų | 132.7 | 86% | 0.864 | 78% | 0.781 | S | S | * | * | | | trans | 57.9 | 21.8 | 137.4 | -55.8 | -63.5 | 141.2 | 0 | 0 | 119.2 | S21 | E19-S21 VanDerWaalsContact C-N 3.34Å; E19-S21 PolarHBondContact O-N 3.01Å; E19-S21 VanDerWaalsContact O-N 3.14Å |
| 20 | A | 52.2 | Low | 54.3 | Low | 93 Ų | 93 | 129.2 Ų | 129.2 | 77% | 0.769 | 77% | 0.765 | S | S | * | * | | | trans | -86 | 83.7 | 165.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | S18 Q22 | S18-A20 VanDerWaalsContact C-N 3.32Å; S18-A20 PolarHBondContact O-N 3.18Å; A20-Q22 PolarHBondContact O-N 3.17Å; A20-Q22 VanDerWaalsContact O-N 3.11Å |
| 21 | S | 55 | Low | 54.5 | Low | 95 Ų | 95 | 132.5 Ų | 132.5 | 66% | 0.664 | 77% | 0.769 | S | S | * | * | | | trans | -6.4 | 106.7 | 162.1 | 176.3 | 0 | 0 | 0 | 0 | 111.7 | E19 V23 | E19-S21 VanDerWaalsContact C-N 3.34Å; E19-S21 PolarHBondContact O-N 3.01Å; E19-S21 VanDerWaalsContact O-N 3.14Å; S21-V23 PolarHBondContact O-N 3.11Å |
| 22 | Q | 54.5 | Low | 54.7 | Low | 175 Ų | 175 | 127.5 Ų | 127.5 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | | | trans | -51.8 | 95.2 | 168 | -180 | -177.5 | 6.1 | 0 | 0 | 106.7 | A20 S24 | A20-Q22 PolarHBondContact O-N 3.17Å; A20-Q22 VanDerWaalsContact O-N 3.11Å; Q22-S24 PolarHBondContact O-N 3.01Å; Q22-S24 PolarHBondContact O-OG 3.4Å |
| 23 | V | 60.3 | Low | 54.9 | Low | 100 Ų | 100 | 124.3 Ų | 124.3 | 61% | 0.606 | 74% | 0.743 | S | S | * | * | | | trans | -66 | 91.9 | 178.3 | -96.8 | 0 | 0 | 0 | 0 | 105.6 | S21 F25 | S21-V23 PolarHBondContact O-N 3.11Å; V23-F25 VanDerWaalsContact C-N 3.27Å; V23-F25 HydrophobicContact CB-CD2 4.37Å; V23-F25 HydrophobicContact CB-CE2 3.83Å; V23-F25 HydrophobicContact CB-CZ 4.06Å; V23-F25 HydrophobicContact CG2-CD2 4.48Å; V23-F25 HydrophobicContact CG2-CE2 3.63Å; V23-F25 HydrophobicContact CG2-CZ 4.01Å; V23-F25 WeakPolarHBondContact O-CD2 3.26Å; V23-F25 PolarHBondContact O-N 2.97Å |
| 24 | S | 63.2 | Low | 55.3 | Low | 96 Ų | 96 | 123.3 Ų | 123.3 | 67% | 0.671 | 74% | 0.736 | S | S | * | * | | | trans | -67.9 | 93.6 | 173 | -67.9 | 0 | 0 | 0 | 0 | 106.2 | Q22 S26 | Q22-S24 PolarHBondContact O-N 3.01Å; Q22-S24 PolarHBondContact O-OG 3.4Å; S24-S26 VanDerWaalsContact C-N 3.28Å; S24-S26 PolarHBondContact O-N 3Å |
| 25 | F | 51.7 | Low | 56.1 | Low | 163 Ų | 163 | 127.7 Ų | 127.7 | 72% | 0.715 | 74% | 0.735 | S | S | * | * | | | trans | -70.4 | 91.4 | 169.2 | -66.4 | -80.7 | 0 | 0 | 0 | 107.5 | V23 C27 | V23-F25 VanDerWaalsContact C-N 3.27Å; V23-F25 HydrophobicContact CB-CD2 4.37Å; V23-F25 HydrophobicContact CB-CE2 3.83Å; V23-F25 HydrophobicContact CB-CZ 4.06Å; V23-F25 HydrophobicContact CG2-CD2 4.48Å; V23-F25 HydrophobicContact CG2-CE2 3.63Å; V23-F25 HydrophobicContact CG2-CZ 4.01Å; V23-F25 WeakPolarHBondContact O-CD2 3.26Å; V23-F25 PolarHBondContact O-N 2.97Å; F25-C27 PolarHBondContact O-N 2.97Å |
| 26 | S | 60.1 | Low | 56.9 | Low | 125 Ų | 125 | 124.2 Ų | 124.2 | 87% | 0.874 | 73% | 0.725 | S | S | * | * | | | trans | -72.9 | 1.9 | 170.9 | 60.3 | 0 | 0 | 0 | 0 | 112.6 | S24 G28 | S24-S26 VanDerWaalsContact C-N 3.28Å; S24-S26 PolarHBondContact O-N 3Å; S26-G28 PolarHBondContact O-N 3.18Å |
| 27 | C | 62.1 | Low | 58 | Low | 90 Ų | 90 | 122.7 Ų | 122.7 | 61% | 0.608 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -80.3 | 106.9 | 173.5 | 60.4 | 0 | 0 | 0 | 0 | 109.4 | F25 L29 | F25-C27 PolarHBondContact O-N 2.97Å; C27-L29 PolarHBondContact O-N 2.69Å; C27-L29 VanDerWaalsContact O-N 3.12Å |
| 28 | G | 62.3 | Low | 58.5 | Low | 67 Ų | 67 | 120.4 Ų | 120.4 | 69% | 0.691 | 71% | 0.711 | S | S | * | * | | | trans | -53.2 | 120.8 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | S26 Q30 | S26-G28 PolarHBondContact O-N 3.18Å; G28-Q30 PolarHBondContact O-N 3.18Å |
| 29 | L | 63.1 | Low | 59.3 | Low | 162 Ų | 162 | 121.5 Ų | 121.5 | 85% | 0.848 | 72% | 0.719 | S | S | * | * | | | trans | -57.7 | 108.3 | 172.2 | -167.4 | 79.1 | 0 | 0 | 0 | 106.3 | C27 D31 | C27-L29 PolarHBondContact O-N 2.69Å; C27-L29 VanDerWaalsContact O-N 3.12Å; L29-D31 PolarHBondContact O-N 3.33Å |
| 30 | Q | 67.1 | Low | 59.7 | Low | 132 Ų | 132 | 121.5 Ų | 121.5 | 62% | 0.617 | 72% | 0.719 | S | S | * | * | | | trans | -61 | 125.1 | 178.6 | -70.5 | -169 | 0.3 | 0 | 0 | 108 | G28 T32 | G28-Q30 PolarHBondContact O-N 3.18Å; Q30-T32 PolarHBondContact O-N 3.12Å |
| 31 | D | 63.4 | Low | 60 | Low | 127 Ų | 127 | 120.7 Ų | 120.7 | 68% | 0.679 | 71% | 0.712 | S | S | * | * | | | trans | -51.5 | 113.7 | 179.8 | -74.9 | -47.8 | 0 | 0 | 0 | 110.2 | L29 N33 S34 | L29-D31 PolarHBondContact O-N 3.33Å; D31-N33 PolarHBondContact O-N 3.3Å; D31-S34 PolarHBondContact O-N 3.47Å; D31-S34 VanDerWaalsContact O-N 3.11Å |
| 32 | T | 60.8 | Low | 60.6 | Low | 101 Ų | 101 | 126.5 Ų | 126.5 | 62% | 0.62 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.4 | -10.7 | 179.8 | 53.5 | 0 | 0 | 0 | 0 | 112.7 | Q30 S34 F35 | Q30-T32 PolarHBondContact O-N 3.12Å; T32-S34 PolarHBondContact O-N 3.13Å; T32-S34 VanDerWaalsContact O-N 3.17Å; T32-F35 PolarHBondContact O-N 2.88Å |
| 33 | N | 58.6 | Low | 61.5 | Low | 131 Ų | 131 | 128.4 Ų | 128.4 | 70% | 0.701 | 73% | 0.725 | S | S | * | * | H | α-helix | trans | -55.2 | -26.2 | 169.7 | -84.4 | -30.8 | 0 | 0 | 0 | 112.8 | D31 F35 G37 | D31-N33 PolarHBondContact O-N 3.3Å; N33-F35 VanDerWaalsContact C-N 3.33Å; N33-G37 VanDerWaalsContact O-CA 3.26Å; N33-G37 WeakPolarHBondContact O-CA 3.14Å; N33-G37 PolarHBondContact O-N 3.48Å |
| 34 | S | 59.5 | Low | 62.4 | Low | 111 Ų | 111 | 129 Ų | 129 | 78% | 0.776 | 73% | 0.731 | S | S | * | * | H | α-helix | trans | -76.1 | -17.3 | 176.6 | -56.8 | 0 | 0 | 0 | 0 | 114 | D31 T32 | D31-S34 PolarHBondContact O-N 3.47Å; D31-S34 VanDerWaalsContact O-N 3.11Å; T32-S34 PolarHBondContact O-N 3.13Å; T32-S34 VanDerWaalsContact O-N 3.17Å |
| 35 | F | 63 | Low | 63.1 | Low | 164 Ų | 164 | 128.6 Ų | 128.6 | 72% | 0.719 | 73% | 0.726 | S | S | * | * | H | α-helix | trans | -89.5 | -36.4 | -177.9 | -172 | -95.9 | 0 | 0 | 0 | 112.6 | T32 N33 | T32-F35 PolarHBondContact O-N 2.88Å; N33-F35 VanDerWaalsContact C-N 3.33Å |
| 36 | F | 63.2 | Low | 64.7 | Low | 173 Ų | 173 | 128.5 Ų | 128.5 | 76% | 0.759 | 73% | 0.726 | S | S | * | * | H | α-helix | trans | -107.7 | -7.3 | 179.7 | -62 | -73.8 | 0 | 0 | 0 | 113.9 | A38 | F36-A38 PolarHBondContact O-N 3.37Å |
| 37 | G | 58.6 | Low | 65.8 | Low | 43 Ų | 43 | 129.5 Ų | 129.5 | 44% | 0.443 | 72% | 0.72 | S | S | . | * | | | trans | -75.2 | 91.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | N33 S39 | N33-G37 VanDerWaalsContact O-CA 3.26Å; N33-G37 WeakPolarHBondContact O-CA 3.14Å; N33-G37 PolarHBondContact O-N 3.48Å; G37-S39 PolarHBondContact O-N 2.9Å |
| 38 | A | 56 | Low | 66.8 | Low | 100 Ų | 100 | 128.9 Ų | 128.9 | 83% | 0.826 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.5 | 120.6 | 165.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | F36 | F36-A38 PolarHBondContact O-N 3.37Š|
| 39 | S | 61.5 | Low | 67.8 | Low | 119 Ų | 119 | 130.8 Ų | 130.8 | 83% | 0.832 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 91.9 | 49.2 | 172.3 | -162.8 | 0 | 0 | 0 | 0 | 118.5 | G37 | G37-S39 PolarHBondContact O-N 2.9Š|
| 40 | Q | 58.6 | Low | 68.7 | Low | 185 Ų | 185 | 127.1 Ų | 127.1 | 86% | 0.864 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -125 | 105.4 | 152.6 | -73.2 | -100.8 | -33.4 | 0 | 0 | 108.9 | | |
| 41 | A | 57.9 | Low | 69.3 | Low | 75 Ų | 75 | 123.7 Ų | 123.7 | 62% | 0.62 | 70% | 0.7 | S | S | * | * | | | trans | 43.4 | 119.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 117 | R43 | A41-R43 PolarHBondContact O-N 2.69Š|
| 42 | K | 66.3 | Low | 70.3 | Confident | 218 Ų | 218 | 129.6 Ų | 129.6 | 95% | 0.948 | 71% | 0.713 | S | S | * | * | | | trans | -64.1 | 29.8 | 170.6 | -56.8 | -169.3 | -179.1 | -175.2 | 0 | 114.3 | | |
| 43 | R | 73.5 | Confident | 71.3 | Confident | 214 Ų | 214 | 129.8 Ų | 129.8 | 81% | 0.808 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 126.2 | 175.8 | -81 | -170.8 | 157.1 | 87.1 | 2.4 | 108.4 | A41 | A41-R43 PolarHBondContact O-N 2.69Š|
| 44 | P | 80.7 | Confident | 72.4 | Confident | 113 Ų | 113 | 132.8 Ų | 132.8 | 73% | 0.734 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -53 | 141.5 | 171.8 | -26 | 34.8 | 0 | 0 | 0 | 110.8 | | |
| 45 | P | 78 | Confident | 73.4 | Confident | 88 Ų | 88 | 138.1 Ų | 138.1 | 57% | 0.571 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 142.6 | 177.5 | 25 | -33.7 | 0 | 0 | 0 | 110.4 | I50 | P45-I50 HydrophobicContact CB-CG2 4.08Å; P45-I50 HydrophobicContact CG-CG2 4.02Å |
| 46 | K | 84.6 | Confident | 74.4 | Confident | 161 Ų | 161 | 136.5 Ų | 136.5 | 70% | 0.7 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 153.9 | 176.5 | -65.7 | -179 | -178.3 | 168.7 | 0 | 109.9 | G48 Q49 I50 | K46-G48 PolarHBondContact O-N 3.11Å; K46-G48 VanDerWaalsContact O-N 3.13Å; K46-Q49 HydrophobicContact CB-CG 4.39Å; K46-Q49 WeakPolarHBondContact O-CB 3.29Å; K46-Q49 PolarHBondContact O-N 3.5Å; K46-I50 PolarHBondContact O-N 2.91Å |
| 47 | L | 82.5 | Confident | 75.6 | Confident | 145 Ų | 145 | 133.4 Ų | 133.4 | 76% | 0.759 | 73% | 0.733 | S | S | * | * | G | 310 helix | trans | -56.3 | -32.7 | 179.7 | -173.7 | 58.4 | 0 | 0 | 0 | 113.2 | Q49 I50 | L47-Q49 VanDerWaalsContact C-N 3.25Å; L47-Q49 PolarHBondContact O-N 2.73Å; L47-I50 HydrophobicContact CD1-CD1 3.63Å; L47-I50 HydrophobicContact CD1-CG1 3.91Å; L47-I50 VanDerWaalsContact O-CG1 3.29Å; L47-I50 WeakPolarHBondContact O-CG1 3.42Å; L47-I50 PolarHBondContact O-N 3.25Å |
| 48 | G | 83.9 | Confident | 77 | Confident | 78 Ų | 78 | 136.1 Ų | 136.1 | 80% | 0.804 | 74% | 0.736 | S | S | * | * | G | 310 helix | trans | -73.6 | -11.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | K46 | K46-G48 PolarHBondContact O-N 3.11Å; K46-G48 VanDerWaalsContact O-N 3.13Å |
| 49 | Q | 84 | Confident | 78.5 | Confident | 107 Ų | 107 | 140.6 Ų | 140.6 | 50% | 0.5 | 74% | 0.74 | S | S | . | * | G | 310 helix | trans | -96.3 | -17.6 | 177.6 | -63.4 | 176.4 | -55.3 | 0 | 0 | 112.1 | K46 L47 | K46-Q49 HydrophobicContact CB-CG 4.39Å; K46-Q49 WeakPolarHBondContact O-CB 3.29Å; K46-Q49 PolarHBondContact O-N 3.5Å; L47-Q49 VanDerWaalsContact C-N 3.25Å; L47-Q49 PolarHBondContact O-N 2.73Å |
| 50 | I | 81.1 | Confident | 79.9 | Confident | 85 Ų | 85 | 137.7 Ų | 137.7 | 44% | 0.436 | 72% | 0.715 | S | S | . | * | S | Bend | trans | -89.8 | 137.1 | 176.9 | 69.6 | 172.7 | 0 | 0 | 0 | 109.8 | P45 K46 L47 | P45-I50 HydrophobicContact CB-CG2 4.08Å; P45-I50 HydrophobicContact CG-CG2 4.02Å; K46-I50 PolarHBondContact O-N 2.91Å; L47-I50 HydrophobicContact CD1-CD1 3.63Å; L47-I50 HydrophobicContact CD1-CG1 3.91Å; L47-I50 VanDerWaalsContact O-CG1 3.29Å; L47-I50 WeakPolarHBondContact O-CG1 3.42Å; L47-I50 PolarHBondContact O-N 3.25Å |
| 51 | G | 80.1 | Confident | 81.1 | Confident | 59 Ų | 59 | 136.1 Ų | 136.1 | 61% | 0.608 | 71% | 0.713 | S | S | * | * | | | trans | -64.7 | 142.6 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | A53 | G51-A53 PolarHBondContact O-N 2.94Š|
| 52 | R | 84 | Confident | 82.7 | Confident | 252 Ų | 252 | 140.9 Ų | 140.9 | 95% | 0.951 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.1 | 5 | 179.9 | -59.5 | -174.7 | -173.2 | -131.2 | 3.7 | 114.5 | K54 | R52-K54 PolarHBondContact O-N 3.28Š|
| 53 | A | 82.3 | Confident | 83.7 | Confident | 104 Ų | 104 | 132.5 Ų | 132.5 | 86% | 0.86 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.7 | -22.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | G51 | G51-A53 PolarHBondContact O-N 2.94Š|
| 54 | K | 81 | Confident | 84.3 | Confident | 194 Ų | 194 | 127.6 Ų | 127.6 | 84% | 0.843 | 67% | 0.67 | S | S | * | * | | | trans | -97.1 | 122.4 | 177.9 | -62.7 | -172.6 | -179.4 | -175.7 | 0 | 109.8 | R52 | R52-K54 PolarHBondContact O-N 3.28Š|
| 55 | R | 81.6 | Confident | 84.6 | Confident | 223 Ų | 223 | 128.2 Ų | 128.2 | 84% | 0.842 | 67% | 0.667 | S | S | * | * | | | trans | -108.1 | 145.8 | 169.6 | 65.2 | -177.5 | -176.2 | 178.2 | 1.8 | 109.6 | | |
| 56 | V | 84.1 | Confident | 85 | Confident | 131 Ų | 131 | 128.1 Ų | 128.1 | 79% | 0.794 | 66% | 0.664 | S | S | * | * | | | trans | -84.2 | 130.4 | 170.7 | -178.5 | 0 | 0 | 0 | 0 | 107.6 | I58 | V56-I58 HydrophobicContact CG1-CG1 4.35Š|
| 57 | V | 86.6 | Confident | 84.9 | Confident | 108 Ų | 108 | 124.6 Ų | 124.6 | 66% | 0.655 | 65% | 0.653 | S | S | * | * | | | trans | -93.2 | 131.1 | 170.1 | 179 | 0 | 0 | 0 | 0 | 107.2 | E59 | V57-E59 HydrophobicContact CG1-CG 4.39Š|
| 58 | I | 88.8 | Confident | 85.1 | Confident | 99 Ų | 99 | 125.1 Ų | 125.1 | 51% | 0.508 | 65% | 0.649 | S | S | . | * | | | trans | -113.3 | 114.2 | 178.6 | -57.6 | 172.5 | 0 | 0 | 0 | 107.1 | V56 D60 I63 | V56-I58 HydrophobicContact CG1-CG1 4.35Å; I58-D60 VanDerWaalsContact C-N 3.29Å; I58-D60 HydrophobicContact CG2-CB 4.12Å; I58-D60 PolarHBondContact O-N 3.14Å; I58-I63 HydrophobicContact CB-CG2 4.4Å; I58-I63 HydrophobicContact CD1-CG1 4.1Å; I58-I63 HydrophobicContact CG2-CB 4.23Å; I58-I63 HydrophobicContact CG2-CG1 4.14Å; I58-I63 HydrophobicContact CG2-CG2 4.22Å |
| 59 | E | 87.7 | Confident | 85 | Confident | 195 Ų | 195 | 123.5 Ų | 123.5 | 91% | 0.911 | 63% | 0.632 | S | S | * | * | | | trans | -92.1 | 58.3 | 178.1 | -60.3 | -178.4 | 134.4 | 0 | 0 | 110.2 | V57 | V57-E59 HydrophobicContact CG1-CG 4.39Š|
| 60 | D | 90.3 | Very high | 84.7 | Confident | 58 Ų | 58 | 123.7 Ų | 123.7 | 31% | 0.31 | 63% | 0.634 | S | S | . | * | | | trans | -130.4 | 109.4 | 171.3 | -174.4 | -25.9 | 0 | 0 | 0 | 107.8 | I58 R62 I63 | I58-D60 VanDerWaalsContact C-N 3.29Å; I58-D60 HydrophobicContact CG2-CB 4.12Å; I58-D60 PolarHBondContact O-N 3.14Å; D60-R62 PolarHBondContact O-N 3.06Å; D60-R62 WeakPolarHBondContact OD1-CB 3.06Å; D60-R62 IonicContact OD1-CZ 3.71Å; D60-R62 PolarHBondContact OD1-N 2.96Å; D60-R62 IonicContact OD1-NE 2.93Å; D60-R62 PolarHBondContact OD1-NE 2.91Å; D60-R62 IonicContact OD1-NH2 3.61Å; D60-R62 IonicContact OD2-CZ 3.58Å; D60-R62 IonicContact OD2-NE 3.53Å; D60-R62 IonicContact OD2-NH2 2.76Å; D60-R62 PolarHBondContact OD2-NH2 2.76Å; D60-I63 VanDerWaalsContact O-CB 3.32Å; D60-I63 WeakPolarHBondContact O-CB 3.32Å; D60-I63 WeakPolarHBondContact O-CG2 3.31Å; D60-I63 PolarHBondContact O-N 2.93Å |
| 61 | D | 85.4 | Confident | 84.1 | Confident | 151 Ų | 151 | 123.5 Ų | 123.5 | 81% | 0.807 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.8 | -18.2 | -174.7 | -60.4 | -28.3 | 0 | 0 | 0 | 113.5 | I63 | D61-I63 VanDerWaalsContact C-N 3.33Š|
| 62 | R | 90.1 | Very high | 83.6 | Confident | 175 Ų | 175 | 127.5 Ų | 127.5 | 66% | 0.66 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.7 | -12.5 | 178 | -55.3 | 170.1 | -63.6 | 175.5 | 4.9 | 112.9 | D60 D64 | D60-R62 PolarHBondContact O-N 3.06Å; D60-R62 WeakPolarHBondContact OD1-CB 3.06Å; D60-R62 IonicContact OD1-CZ 3.71Å; D60-R62 PolarHBondContact OD1-N 2.96Å; D60-R62 IonicContact OD1-NE 2.93Å; D60-R62 PolarHBondContact OD1-NE 2.91Å; D60-R62 IonicContact OD1-NH2 3.61Å; D60-R62 IonicContact OD2-CZ 3.58Å; D60-R62 IonicContact OD2-NE 3.53Å; D60-R62 IonicContact OD2-NH2 2.76Å; D60-R62 PolarHBondContact OD2-NH2 2.76Å; R62-D64 VanDerWaalsContact C-N 3.33Å; R62-D64 PolarHBondContact O-N 3.22Å |
| 63 | I | 88.4 | Confident | 83 | Confident | 43 Ų | 43 | 123 Ų | 123 | 22% | 0.221 | 64% | 0.641 | C | S | . | * | H | α-helix | trans | -68.8 | -34.2 | -174.7 | -162.4 | 59 | 0 | 0 | 0 | 112 | I58 D60 D61 D65 V66 L67 | I58-I63 HydrophobicContact CB-CG2 4.4Å; I58-I63 HydrophobicContact CD1-CG1 4.1Å; I58-I63 HydrophobicContact CG2-CB 4.23Å; I58-I63 HydrophobicContact CG2-CG1 4.14Å; I58-I63 HydrophobicContact CG2-CG2 4.22Å; D60-I63 VanDerWaalsContact O-CB 3.32Å; D60-I63 WeakPolarHBondContact O-CB 3.32Å; D60-I63 WeakPolarHBondContact O-CG2 3.31Å; D60-I63 PolarHBondContact O-N 2.93Å; D61-I63 VanDerWaalsContact C-N 3.33Å; I63-D65 VanDerWaalsContact C-N 3.32Å; I63-D65 PolarHBondContact O-N 3.43Å; I63-V66 PolarHBondContact O-N 2.92Å; I63-L67 HydrophobicContact CG1-CD1 3.93Å; I63-L67 HydrophobicContact CG1-CG 4.12Å; I63-L67 WeakPolarHBondContact O-CB 3.33Å; I63-L67 VanDerWaalsContact O-CG 3.31Å; I63-L67 WeakPolarHBondContact O-CG 3.27Å; I63-L67 PolarHBondContact O-N 3.48Å |
| 64 | D | 85.1 | Confident | 82.3 | Confident | 111 Ų | 111 | 123.4 Ų | 123.4 | 59% | 0.594 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -62.7 | -40.1 | -177.5 | -71.5 | -29.3 | 0 | 0 | 0 | 111.7 | R62 V66 L67 K68 | R62-D64 VanDerWaalsContact C-N 3.33Å; R62-D64 PolarHBondContact O-N 3.22Å; D64-V66 PolarHBondContact O-N 3.45Å; D64-L67 PolarHBondContact O-N 3.4Å; D64-K68 VanDerWaalsContact O-CB 3.27Å; D64-K68 WeakPolarHBondContact O-CB 3.48Å; D64-K68 PolarHBondContact O-N 2.92Å |
| 65 | D | 87 | Confident | 81.7 | Confident | 126 Ų | 126 | 119.1 Ų | 119.1 | 67% | 0.674 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -64.4 | -39.7 | 177.5 | -71.5 | -29.5 | 0 | 0 | 0 | 112.1 | I63 G69 | I63-D65 VanDerWaalsContact C-N 3.32Å; I63-D65 PolarHBondContact O-N 3.43Å; D65-G69 PolarHBondContact O-N 3.49Å |
| 66 | V | 86.3 | Confident | 81.1 | Confident | 85 Ų | 85 | 114 Ų | 114 | 52% | 0.515 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -69.4 | -46 | 177.4 | 177.7 | 0 | 0 | 0 | 0 | 110.9 | I63 D64 K68 G69 M70 | I63-V66 PolarHBondContact O-N 2.92Å; D64-V66 PolarHBondContact O-N 3.45Å; V66-K68 VanDerWaalsContact C-N 3.32Å; V66-K68 PolarHBondContact O-N 3.1Å; V66-G69 PolarHBondContact O-N 3.44Å; V66-M70 HydrophobicContact CG1-SD 4.17Å; V66-M70 WeakPolarHBondContact O-CG 3.45Å; V66-M70 PolarHBondContact O-N 3.35Å |
| 67 | L | 83.3 | Confident | 80.3 | Confident | 88 Ų | 88 | 111.3 Ų | 111.3 | 46% | 0.461 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -64.4 | -37.8 | -179.9 | -70.8 | 176.5 | 0 | 0 | 0 | 111.8 | I63 D64 G69 M70 A71 | I63-L67 HydrophobicContact CG1-CD1 3.93Å; I63-L67 HydrophobicContact CG1-CG 4.12Å; I63-L67 WeakPolarHBondContact O-CB 3.33Å; I63-L67 VanDerWaalsContact O-CG 3.31Å; I63-L67 WeakPolarHBondContact O-CG 3.27Å; I63-L67 PolarHBondContact O-N 3.48Å; D64-L67 PolarHBondContact O-N 3.4Å; L67-G69 PolarHBondContact O-N 3.36Å; L67-M70 PolarHBondContact O-N 3.46Å; L67-M70 VanDerWaalsContact O-N 3.1Å; L67-A71 PolarHBondContact O-N 3.21Å |
| 68 | K | 85.7 | Confident | 78.2 | Confident | 156 Ų | 156 | 116.5 Ų | 116.5 | 68% | 0.678 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -59.1 | -44.5 | 176.9 | -175.2 | 171.5 | 179.1 | -179.9 | 0 | 112.1 | D64 V66 M70 A71 | D64-K68 VanDerWaalsContact O-CB 3.27Å; D64-K68 WeakPolarHBondContact O-CB 3.48Å; D64-K68 PolarHBondContact O-N 2.92Å; V66-K68 VanDerWaalsContact C-N 3.32Å; V66-K68 PolarHBondContact O-N 3.1Å; K68-M70 PolarHBondContact O-N 3.22Å; K68-A71 PolarHBondContact O-N 3.49Å |
| 69 | G | 83.1 | Confident | 77.7 | Confident | 44 Ų | 44 | 117.4 Ų | 117.4 | 45% | 0.454 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -69.7 | -10.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | D65 V66 L67 | D65-G69 PolarHBondContact O-N 3.49Å; V66-G69 PolarHBondContact O-N 3.44Å; L67-G69 PolarHBondContact O-N 3.36Å |
| 70 | M | 77.3 | Confident | 77.1 | Confident | 110 Ų | 110 | 113.3 Ų | 113.3 | 54% | 0.542 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -95.8 | -26.3 | 177.2 | -66.7 | 171.2 | 63.8 | 0 | 0 | 112.7 | V66 L67 K68 D72 K73 | V66-M70 HydrophobicContact CG1-SD 4.17Å; V66-M70 WeakPolarHBondContact O-CG 3.45Å; V66-M70 PolarHBondContact O-N 3.35Å; L67-M70 PolarHBondContact O-N 3.46Å; L67-M70 VanDerWaalsContact O-N 3.1Å; K68-M70 PolarHBondContact O-N 3.22Å; M70-D72 PolarHBondContact O-N 3.18Å; M70-K73 PolarHBondContact O-N 3.29Å |
| 71 | A | 69.1 | Low | 76.4 | Confident | 82 Ų | 82 | 116.4 Ų | 116.4 | 68% | 0.678 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -63.1 | -28.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | L67 K68 K73 | L67-A71 PolarHBondContact O-N 3.21Å; K68-A71 PolarHBondContact O-N 3.49Å; A71-K73 VanDerWaalsContact C-N 3.26Å; A71-K73 PolarHBondContact O-N 3.4Å |
| 72 | D | 69.4 | Low | 75.9 | Confident | 143 Ų | 143 | 114.4 Ų | 114.4 | 77% | 0.765 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.6 | -7 | 179.9 | -60.4 | -51.9 | 0 | 0 | 0 | 113.7 | M70 | M70-D72 PolarHBondContact O-N 3.18Š|
| 73 | K | 71.3 | Confident | 75 | Confident | 158 Ų | 158 | 110.6 Ų | 110.6 | 69% | 0.687 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -89.3 | 117 | 175.6 | -63 | -179.5 | -175 | 172.3 | 0 | 108 | M70 A71 S75 | M70-K73 PolarHBondContact O-N 3.29Å; A71-K73 VanDerWaalsContact C-N 3.26Å; A71-K73 PolarHBondContact O-N 3.4Å; K73-S75 PolarHBondContact O-N 3.3Å |
| 74 | S | 66 | Low | 74.1 | Confident | 112 Ų | 112 | 115.1 Ų | 115.1 | 78% | 0.783 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 133.2 | 174.1 | 54.1 | 0 | 0 | 0 | 0 | 109.5 | | |
| 75 | S | 69.3 | Low | 73.3 | Confident | 103 Ų | 103 | 115.4 Ų | 115.4 | 72% | 0.72 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 129.9 | 172.5 | -178.5 | 0 | 0 | 0 | 0 | 107.7 | K73 G77 | K73-S75 PolarHBondContact O-N 3.3Å; S75-G77 PolarHBondContact O-N 2.91Å |
| 76 | P | 69 | Low | 72.3 | Confident | 115 Ų | 115 | 114.5 Ų | 114.5 | 75% | 0.747 | 70% | 0.702 | S | S | * | * | | | trans | -56.5 | 114.1 | 169 | 18.6 | -24 | 0 | 0 | 0 | 106.5 | | |
| 77 | G | 66.6 | Low | 71.1 | Confident | 76 Ų | 76 | 117 Ų | 117 | 78% | 0.784 | 72% | 0.718 | S | S | * | * | | | trans | -57.7 | 138.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | S75 | S75-G77 PolarHBondContact O-N 2.91Š|
| 78 | V | 43.2 | Very low | 70 | Confident | 217 Ų | 217 | 119.6 Ų | 119.6 | 100% | 1.315 | 74% | 0.741 | S | S | * | * | | | trans | -90 | 0 | 169.4 | -167.6 | 0 | 0 | 0 | 0 | 108.1 | | |