| 1 | M | 47.4 | Very low | 46.6 | Very low | 241 Ų | 241 | 145.9 Ų | 145.9 | 100% | 1.187 | 85% | 0.846 | S | S | * | * | | | | 0 | 142.4 | 0 | -68.9 | -171 | -72.8 | 0 | 0 | 108.4 | | |
| 2 | S | 61.7 | Low | 46.6 | Very low | 124 Ų | 124 | 147.4 Ų | 147.4 | 87% | 0.867 | 85% | 0.849 | S | S | * | * | | | trans | 63.3 | 108.6 | 170.8 | -79.7 | 0 | 0 | 0 | 0 | 120.3 | | |
| 3 | L | 47.6 | Very low | 46.5 | Very low | 184 Ų | 184 | 140.9 Ų | 140.9 | 96% | 0.963 | 83% | 0.833 | S | S | * | * | | | trans | -87.4 | 136.1 | 141.3 | -67 | 166.8 | 0 | 0 | 0 | 108 | | |
| 4 | G | 50.6 | Low | 46.1 | Very low | 70 Ų | 70 | 148.7 Ų | 148.7 | 72% | 0.722 | 84% | 0.841 | S | S | * | * | | | trans | 161.7 | 134.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 5 | S | 51.3 | Low | 46.1 | Very low | 105 Ų | 105 | 145.9 Ų | 145.9 | 73% | 0.734 | 84% | 0.835 | S | S | * | * | | | cis | -160.3 | 139.4 | 17.4 | -64.1 | 0 | 0 | 0 | 0 | 107.6 | | |
| 6 | Q | 39.7 | Very low | 45.8 | Very low | 172 Ų | 172 | 151.1 Ų | 151.1 | 80% | 0.804 | 84% | 0.839 | S | S | * | * | | | | 54.7 | 108.7 | 111.8 | -61.6 | -178.9 | -12.8 | 0 | 0 | 114.6 | | |
| 7 | Q | 32.3 | Very low | 45.9 | Very low | 187 Ų | 187 | 151.5 Ų | 151.5 | 87% | 0.874 | 84% | 0.839 | S | S | * | * | | | | 61.4 | 112 | 92.9 | -94.1 | -176.6 | -28.7 | 0 | 0 | 114 | | |
| 8 | S | 47.8 | Very low | 45.7 | Very low | 112 Ų | 112 | 152.1 Ų | 152.1 | 78% | 0.783 | 84% | 0.839 | S | S | * | * | | | trans | -125.6 | 113.9 | 141.2 | 38.5 | 0 | 0 | 0 | 0 | 105 | | |
| 9 | E | 43.6 | Very low | 45.7 | Very low | 162 Ų | 162 | 150.2 Ų | 150.2 | 76% | 0.757 | 84% | 0.838 | S | S | * | * | | | | 57 | 97.3 | 82.6 | -74.9 | -158.8 | 158 | 0 | 0 | 111.3 | | |
| 10 | E | 42.7 | Very low | 45.8 | Very low | 167 Ų | 167 | 154.5 Ų | 154.5 | 78% | 0.78 | 84% | 0.841 | S | S | * | * | | | | 82.9 | 104.2 | 97 | -82.3 | -170.3 | 160.3 | 0 | 0 | 112 | | |
| 11 | G | 47.9 | Very low | 45.7 | Very low | 81 Ų | 81 | 153 Ų | 153 | 84% | 0.835 | 84% | 0.842 | S | S | * | * | | | trans | -133.5 | 77.9 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | G13 | G11-G13 PolarHBondContact O-N 3.42Š|
| 12 | N | 46.3 | Very low | 45.6 | Very low | 164 Ų | 164 | 145.8 Ų | 145.8 | 88% | 0.877 | 82% | 0.815 | S | S | * | * | | | trans | -65.4 | 113.3 | 164.9 | -88.4 | -40.2 | 0 | 0 | 0 | 110 | | |
| 13 | G | 46.1 | Very low | 44.6 | Very low | 63 Ų | 63 | 149.7 Ų | 149.7 | 65% | 0.649 | 82% | 0.82 | S | S | * | * | | | trans | -155.1 | 93.3 | 166.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | G11 | G11-G13 PolarHBondContact O-N 3.42Š|
| 14 | R | 40.9 | Very low | 44.7 | Very low | 250 Ų | 250 | 144 Ų | 144 | 94% | 0.943 | 80% | 0.799 | S | S | * | * | | | | 38.7 | 107.2 | 103.1 | -74.6 | -170.9 | 176.1 | -153.5 | 0.8 | 113.5 | | |
| 15 | S | 45.5 | Very low | 44.5 | Very low | 106 Ų | 106 | 149.7 Ų | 149.7 | 74% | 0.741 | 81% | 0.807 | S | S | * | * | | | | 154.7 | 127.1 | 101.4 | 59.8 | 0 | 0 | 0 | 0 | 111.5 | | |
| 16 | Y | 41.5 | Very low | 44.5 | Very low | 229 Ų | 229 | 152.7 Ų | 152.7 | 90% | 0.898 | 82% | 0.815 | S | S | * | * | | | trans | -17.2 | 127 | 158.1 | -51.6 | -92.5 | 0 | 0 | 0 | 116.6 | | |
| 17 | D | 47.6 | Very low | 45.2 | Very low | 159 Ų | 159 | 148 Ų | 148 | 85% | 0.85 | 80% | 0.801 | S | S | * | * | | | | -159.4 | 128.2 | 122.6 | -142.1 | -19.5 | 0 | 0 | 0 | 112.3 | | |
| 18 | L | 42.4 | Very low | 46.4 | Very low | 161 Ų | 161 | 146.7 Ų | 146.7 | 84% | 0.843 | 80% | 0.797 | S | S | * | * | | | trans | -86.4 | 107.7 | 166.2 | -85.9 | 127.5 | 0 | 0 | 0 | 106.3 | | |
| 19 | S | 46.3 | Very low | 46.7 | Very low | 117 Ų | 117 | 147.3 Ų | 147.3 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | | | trans | 163.3 | 85.8 | 146.2 | -77 | 0 | 0 | 0 | 0 | 112.3 | | |
| 20 | R | 47.6 | Very low | 47.1 | Very low | 235 Ų | 235 | 147.4 Ų | 147.4 | 89% | 0.887 | 80% | 0.797 | S | S | * | * | | | trans | -167.3 | 108.8 | 137.5 | -130.5 | 170.9 | 178.1 | 173.6 | -1.8 | 111.3 | S22 | R20-S22 PolarHBondContact O-N 3.3Å; R20-S22 VanDerWaalsContact O-N 3.16Å |
| 21 | S | 43.6 | Very low | 47.7 | Very low | 123 Ų | 123 | 146.5 Ų | 146.5 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | | | trans | -59.2 | 106.1 | 150.9 | 49.4 | 0 | 0 | 0 | 0 | 108.5 | | |
| 22 | S | 45.3 | Very low | 47.8 | Very low | 91 Ų | 91 | 147.1 Ų | 147.1 | 64% | 0.636 | 78% | 0.784 | S | S | * | * | | | trans | -118.5 | 104.9 | 155.5 | 60.1 | 0 | 0 | 0 | 0 | 107.6 | R20 A24 | R20-S22 PolarHBondContact O-N 3.3Å; R20-S22 VanDerWaalsContact O-N 3.16Å; S22-A24 PolarHBondContact O-N 3Å |
| 23 | E | 41 | Very low | 47.9 | Very low | 205 Ų | 205 | 142.5 Ų | 142.5 | 96% | 0.958 | 78% | 0.775 | S | S | * | * | | | trans | -57.7 | 93.8 | 152.7 | -64.3 | -176.8 | 149.5 | 0 | 0 | 106.9 | | |
| 24 | A | 48.6 | Very low | 48 | Very low | 64 Ų | 64 | 147 Ų | 147 | 53% | 0.529 | 78% | 0.777 | S | S | . | * | | | trans | -134.9 | 94.9 | 168.8 | 0 | 0 | 0 | 0 | 0 | 106 | S22 N26 | S22-A24 PolarHBondContact O-N 3Å; A24-N26 PolarHBondContact O-N 3.46Å |
| 25 | E | 45.9 | Very low | 48.4 | Very low | 190 Ų | 190 | 141.7 Ų | 141.7 | 89% | 0.888 | 77% | 0.767 | S | S | * | * | | | trans | 41.2 | 78.1 | 136.8 | -53.8 | -171.7 | 150.3 | 0 | 0 | 114.8 | S27 | E25-S27 PolarHBondContact O-N 3.4Š|
| 26 | N | 52.4 | Low | 48.6 | Very low | 169 Ų | 169 | 143.9 Ų | 143.9 | 90% | 0.904 | 77% | 0.766 | S | S | * | * | | | trans | -68 | 88.3 | 153.7 | -75.1 | -15.6 | 0 | 0 | 0 | 107.2 | A24 | A24-N26 PolarHBondContact O-N 3.46Š|
| 27 | S | 53.8 | Low | 49.1 | Very low | 72 Ų | 72 | 137.5 Ų | 137.5 | 50% | 0.503 | 75% | 0.747 | S | S | . | * | | | trans | -23.9 | 130 | 164.2 | 157.9 | 0 | 0 | 0 | 0 | 112.9 | E25 D29 | E25-S27 PolarHBondContact O-N 3.4Å; S27-D29 PolarHBondContact O-N 3.43Å; S27-D29 VanDerWaalsContact OG-CB 3.28Å; S27-D29 WeakPolarHBondContact OG-CB 3.43Å; S27-D29 PolarHBondContact OG-N 3.35Å; S27-D29 VanDerWaalsContact OG-N 3.15Å; S27-D29 PolarHBondContact OG-OD2 2.96Å |
| 28 | M | 56.8 | Low | 49.3 | Very low | 160 Ų | 160 | 138.3 Ų | 138.3 | 79% | 0.788 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -80.8 | 19.1 | 172.5 | -86.3 | -75.3 | -160 | 0 | 0 | 112.3 | D30 L31 | M28-D30 VanDerWaalsContact C-N 3.35Å; M28-D30 PolarHBondContact O-N 3.1Å; M28-L31 HydrophobicContact SD-CD1 4.48Å |
| 29 | D | 55.8 | Low | 50 | Low | 126 Ų | 126 | 140.3 Ų | 140.3 | 67% | 0.674 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.5 | 2.7 | -174.4 | -60.2 | -57.5 | 0 | 0 | 0 | 114.4 | S27 L31 | S27-D29 PolarHBondContact O-N 3.43Å; S27-D29 VanDerWaalsContact OG-CB 3.28Å; S27-D29 WeakPolarHBondContact OG-CB 3.43Å; S27-D29 PolarHBondContact OG-N 3.35Å; S27-D29 VanDerWaalsContact OG-N 3.15Å; S27-D29 PolarHBondContact OG-OD2 2.96Å; D29-L31 VanDerWaalsContact C-N 3.29Å; D29-L31 PolarHBondContact O-N 3.25Å |
| 30 | D | 51.5 | Low | 50.5 | Low | 164 Ų | 164 | 138.7 Ų | 138.7 | 88% | 0.877 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89 | 14.4 | 173.9 | -96.1 | -8.4 | 0 | 0 | 0 | 114.2 | M28 V32 | M28-D30 VanDerWaalsContact C-N 3.35Å; M28-D30 PolarHBondContact O-N 3.1Å; D30-V32 PolarHBondContact O-N 3.27Å |
| 31 | L | 54.5 | Low | 51.1 | Low | 147 Ų | 147 | 131.9 Ų | 131.9 | 77% | 0.77 | 74% | 0.74 | S | S | * | * | | | trans | -87.4 | 21.7 | 168 | -86.9 | 162.8 | 0 | 0 | 0 | 113 | M28 D29 G33 | M28-L31 HydrophobicContact SD-CD1 4.48Å; D29-L31 VanDerWaalsContact C-N 3.29Å; D29-L31 PolarHBondContact O-N 3.25Å; L31-G33 PolarHBondContact O-N 3.34Å |
| 32 | V | 51 | Low | 51.9 | Low | 95 Ų | 95 | 136 Ų | 136 | 58% | 0.576 | 74% | 0.737 | S | S | * | * | | | trans | -69.2 | 86.5 | 161.2 | -173.5 | 0 | 0 | 0 | 0 | 107.4 | D30 F34 | D30-V32 PolarHBondContact O-N 3.27Å; V32-F34 HydrophobicContact CB-CD2 4.34Å; V32-F34 HydrophobicContact CB-CE2 4.18Å; V32-F34 HydrophobicContact CG1-CD2 3.88Å; V32-F34 HydrophobicContact CG1-CE2 3.7Å; V32-F34 HydrophobicContact CG1-CZ 4.21Å; V32-F34 WeakPolarHBondContact O-CD2 3.39Å; V32-F34 PolarHBondContact O-N 3.16Å |
| 33 | G | 48.7 | Very low | 52.6 | Low | 67 Ų | 67 | 137.4 Ų | 137.4 | 69% | 0.691 | 74% | 0.743 | S | S | * | * | | | trans | -57.3 | 88.7 | 162.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | L31 N35 | L31-G33 PolarHBondContact O-N 3.34Å; G33-N35 PolarHBondContact O-N 2.88Å |
| 34 | F | 47.8 | Very low | 53.8 | Low | 158 Ų | 158 | 132.6 Ų | 132.6 | 69% | 0.693 | 73% | 0.728 | S | S | * | * | | | trans | -60.9 | 82.3 | 160.8 | -82.2 | -83.8 | 0 | 0 | 0 | 107.6 | V32 E36 | V32-F34 HydrophobicContact CB-CD2 4.34Å; V32-F34 HydrophobicContact CB-CE2 4.18Å; V32-F34 HydrophobicContact CG1-CD2 3.88Å; V32-F34 HydrophobicContact CG1-CE2 3.7Å; V32-F34 HydrophobicContact CG1-CZ 4.21Å; V32-F34 WeakPolarHBondContact O-CD2 3.39Å; V32-F34 PolarHBondContact O-N 3.16Å; F34-E36 HydrophobicContact CB-CG 4.14Å; F34-E36 HydrophobicContact CD1-CG 4.4Å; F34-E36 WeakPolarHBondContact CD1-OE1 3.42Å; F34-E36 PolarHBondContact O-N 2.9Å |
| 35 | N | 49.2 | Very low | 54.6 | Low | 137 Ų | 137 | 140.9 Ų | 140.9 | 73% | 0.733 | 75% | 0.745 | S | S | * | * | | | trans | -74.7 | 72.6 | 170.1 | -178.6 | 21.3 | 0 | 0 | 0 | 108.1 | G33 N37 | G33-N35 PolarHBondContact O-N 2.88Å; N35-N37 PolarHBondContact O-N 3.17Å |
| 36 | E | 49.3 | Very low | 55.9 | Low | 153 Ų | 153 | 142.4 Ų | 142.4 | 72% | 0.715 | 74% | 0.743 | S | S | * | * | | | trans | -88.6 | 13.4 | 178.9 | -60.2 | -168.7 | 178 | 0 | 0 | 113.1 | F34 E38 | F34-E36 HydrophobicContact CB-CG 4.14Å; F34-E36 HydrophobicContact CD1-CG 4.4Å; F34-E36 WeakPolarHBondContact CD1-OE1 3.42Å; F34-E36 PolarHBondContact O-N 2.9Å; E36-E38 VanDerWaalsContact C-N 3.29Å; E36-E38 PolarHBondContact O-N 3.43Å |
| 37 | N | 51.7 | Low | 56.9 | Low | 94 Ų | 94 | 143.7 Ų | 143.7 | 50% | 0.503 | 74% | 0.74 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86.1 | 70 | 174.6 | 178 | 20.5 | 0 | 0 | 0 | 111.4 | N35 | N35-N37 PolarHBondContact O-N 3.17Š|
| 38 | E | 52.3 | Low | 57.7 | Low | 177 Ų | 177 | 149.6 Ų | 149.6 | 83% | 0.827 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.6 | -1.3 | 162.2 | -87.4 | -150.8 | 157.7 | 0 | 0 | 114.4 | E36 | E36-E38 VanDerWaalsContact C-N 3.29Å; E36-E38 PolarHBondContact O-N 3.43Å |
| 39 | K | 56.7 | Low | 58.2 | Low | 202 Ų | 202 | 146.4 Ų | 146.4 | 88% | 0.878 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -133.1 | 8.5 | -170.6 | -70.5 | -173 | -179.1 | 175.7 | 0 | 118.9 | | |
| 40 | S | 56.8 | Low | 58.5 | Low | 83 Ų | 83 | 145.2 Ų | 145.2 | 58% | 0.58 | 74% | 0.742 | S | S | * | * | | | trans | -143.6 | 109.6 | 171.9 | 63.9 | 0 | 0 | 0 | 0 | 113.3 | R42 | S40-R42 PolarHBondContact O-N 3.48Š|
| 41 | G | 59.7 | Low | 58.8 | Low | 92 Ų | 92 | 141.7 Ų | 141.7 | 95% | 0.948 | 73% | 0.73 | S | S | * | * | | | trans | -66.7 | 50.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 42 | R | 61 | Low | 59.1 | Low | 211 Ų | 211 | 144.4 Ų | 144.4 | 80% | 0.796 | 73% | 0.73 | S | S | * | * | | | trans | -94.8 | 123.4 | 159.9 | -75.5 | -172 | 177.1 | -154.6 | -0.3 | 107.2 | S40 V44 | S40-R42 PolarHBondContact O-N 3.48Å; R42-V44 PolarHBondContact O-N 3.34Å |
| 43 | P | 60.3 | Low | 59.3 | Low | 120 Ų | 120 | 149.2 Ų | 149.2 | 78% | 0.779 | 74% | 0.739 | S | S | * | * | | | trans | -52 | 115.2 | 169 | -20.9 | 29.9 | 0 | 0 | 0 | 107.6 | R45 | P43-R45 PolarHBondContact O-N 3.2Š|
| 44 | V | 67 | Low | 59.6 | Low | 104 Ų | 104 | 149.8 Ų | 149.8 | 63% | 0.63 | 73% | 0.729 | S | S | * | * | | | trans | -54.8 | 107.7 | 172.3 | 175.6 | 0 | 0 | 0 | 0 | 105.1 | R42 R46 | R42-V44 PolarHBondContact O-N 3.34Å; V44-R46 PolarHBondContact O-N 3.42Å |
| 45 | R | 65 | Low | 60.1 | Low | 237 Ų | 237 | 146.4 Ų | 146.4 | 89% | 0.894 | 72% | 0.718 | S | S | * | * | | | trans | -65.9 | 88.1 | 170.7 | -69.9 | -176.7 | 100.4 | 107.1 | -3.2 | 104.9 | P43 K47 | P43-R45 PolarHBondContact O-N 3.2Å; R45-K47 PolarHBondContact O-N 3.48Å |
| 46 | R | 72.9 | Confident | 60.4 | Low | 222 Ų | 222 | 145.8 Ų | 145.8 | 84% | 0.838 | 72% | 0.715 | S | S | * | * | | | trans | -50.6 | 116.8 | 173.9 | -64.6 | 176.7 | 70.2 | 156 | 2.1 | 105.4 | V44 K48 | V44-R46 PolarHBondContact O-N 3.42Å; R46-K48 PolarHBondContact O-N 3.39Å |
| 47 | K | 72.6 | Confident | 60.7 | Low | 197 Ų | 197 | 146.2 Ų | 146.2 | 86% | 0.857 | 72% | 0.719 | S | S | * | * | | | trans | -54.7 | 113.6 | 169 | -69.8 | -76.2 | -176.7 | 172.4 | 0 | 104.7 | R45 | R45-K47 PolarHBondContact O-N 3.48Š|
| 48 | K | 71.6 | Confident | 61.1 | Low | 196 Ų | 196 | 144.6 Ų | 144.6 | 85% | 0.852 | 72% | 0.715 | S | S | * | * | | | trans | -55.3 | 128.1 | 172.5 | -71.6 | -174.9 | 177.6 | -178.3 | 0 | 105.2 | R46 N50 | R46-K48 PolarHBondContact O-N 3.39Å; K48-N50 PolarHBondContact O-N 3.41Å |
| 49 | P | 66.9 | Low | 61.3 | Low | 92 Ų | 92 | 141.3 Ų | 141.3 | 60% | 0.597 | 70% | 0.699 | S | S | * | * | | | trans | -50.9 | 137.9 | 177.4 | 21.7 | -32.2 | 0 | 0 | 0 | 107.9 | S51 T54 | P49-S51 PolarHBondContact O-N 2.69Å; P49-T54 HydrophobicContact CB-CG2 4Å; P49-T54 HydrophobicContact CG-CG2 3.89Å |
| 50 | N | 61.1 | Low | 61.2 | Low | 102 Ų | 102 | 140.7 Ų | 140.7 | 55% | 0.545 | 69% | 0.692 | S | S | . | * | | | trans | -47.3 | 108.4 | 179.3 | -172.5 | -10 | 0 | 0 | 0 | 108.2 | K48 R52 Y53 | K48-N50 PolarHBondContact O-N 3.41Å; N50-R52 PolarHBondContact O-N 2.77Å; N50-Y53 PolarHBondContact O-N 3.19Å; N50-Y53 VanDerWaalsContact O-N 3.16Å |
| 51 | S | 59.4 | Low | 61.3 | Low | 90 Ų | 90 | 141.9 Ų | 141.9 | 63% | 0.629 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.9 | -11.7 | -164.7 | 79 | 0 | 0 | 0 | 0 | 113 | P49 Y53 | P49-S51 PolarHBondContact O-N 2.69Å; S51-Y53 PolarHBondContact O-N 3.4Å |
| 52 | R | 61.1 | Low | 61.1 | Low | 204 Ų | 204 | 140.7 Ų | 140.7 | 77% | 0.77 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.4 | -23.7 | 176.6 | -74.1 | -170.1 | -84 | 163.4 | -10.6 | 113.7 | N50 | N50-R52 PolarHBondContact O-N 2.77Š|
| 53 | Y | 53.5 | Low | 60.9 | Low | 196 Ų | 196 | 138 Ų | 138 | 77% | 0.769 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -111.5 | -7.9 | -177.3 | -92.5 | -85 | 0 | 0 | 0 | 115.4 | N50 S51 | N50-Y53 PolarHBondContact O-N 3.19Å; N50-Y53 VanDerWaalsContact O-N 3.16Å; S51-Y53 PolarHBondContact O-N 3.4Å |
| 54 | T | 55.3 | Low | 60.6 | Low | 79 Ų | 79 | 142 Ų | 142 | 49% | 0.485 | 66% | 0.656 | S | S | . | * | S | Bend | trans | -84.9 | -7.5 | -177.6 | 38.7 | 0 | 0 | 0 | 0 | 115.2 | P49 | P49-T54 HydrophobicContact CB-CG2 4Å; P49-T54 HydrophobicContact CG-CG2 3.89Å |
| 55 | D | 58.7 | Low | 60 | Low | 86 Ų | 86 | 145.6 Ų | 145.6 | 46% | 0.46 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -93.4 | -15.7 | -170.5 | -127.5 | -15.9 | 0 | 0 | 0 | 115.4 | M57 S58 E59 | D55-M57 VanDerWaalsContact C-N 3.31Å; D55-M57 PolarHBondContact O-N 2.91Å; D55-S58 PolarHBondContact O-N 3.02Å; D55-E59 WeakPolarHBondContact O-CG 3.44Å; D55-E59 PolarHBondContact O-N 3.37Å |
| 56 | L | 55.7 | Low | 59.4 | Low | 125 Ų | 125 | 143.3 Ų | 143.3 | 65% | 0.654 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -64.7 | -31 | -176.2 | -87.8 | 160.9 | 0 | 0 | 0 | 113.6 | W60 | L56-W60 VanDerWaalsContact O-CD1 3.26Å |
| 57 | M | 55.5 | Low | 58.5 | Low | 162 Ų | 162 | 135.3 Ų | 135.3 | 80% | 0.798 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -92.5 | -27 | 173.4 | -63.4 | -147.1 | -55.6 | 0 | 0 | 113.2 | D55 W60 E61 | D55-M57 VanDerWaalsContact C-N 3.31Å; D55-M57 PolarHBondContact O-N 2.91Å; M57-W60 PolarHBondContact O-N 3.17Å; M57-E61 PolarHBondContact O-N 3.18Å |
| 58 | S | 59.2 | Low | 57.6 | Low | 60 Ų | 60 | 130.1 Ų | 130.1 | 42% | 0.42 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -71.4 | -36.6 | -179.3 | -160.2 | 0 | 0 | 0 | 0 | 112.3 | D55 W60 E61 T62 | D55-S58 PolarHBondContact O-N 3.02Å; S58-W60 VanDerWaalsContact C-N 3.29Å; S58-W60 PolarHBondContact O-N 3.03Å; S58-E61 PolarHBondContact O-N 3.15Å; S58-T62 PolarHBondContact O-N 2.82Å; S58-T62 PolarHBondContact O-OG1 2.81Å |
| 59 | E | 56.5 | Low | 56.4 | Low | 108 Ų | 108 | 126.6 Ų | 126.6 | 51% | 0.505 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -61.7 | -36.1 | 174.4 | -74.7 | -168.8 | -177.9 | 0 | 0 | 112.7 | D55 T62 K63 | D55-E59 WeakPolarHBondContact O-CG 3.44Å; D55-E59 PolarHBondContact O-N 3.37Å; E59-T62 WeakPolarHBondContact CA-OG1 3.41Å; E59-T62 PolarHBondContact O-OG1 3.49Å; E59-K63 PolarHBondContact O-N 3Å |
| 60 | W | 55.1 | Low | 55.7 | Low | 189 Ų | 189 | 126.1 Ų | 126.1 | 72% | 0.716 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -73.6 | -34.8 | 177.5 | -81.1 | 88.6 | 0 | 0 | 0 | 112.6 | L56 M57 S58 | L56-W60 VanDerWaalsContact O-CD1 3.26Å; M57-W60 PolarHBondContact O-N 3.17Å; S58-W60 VanDerWaalsContact C-N 3.29Å; S58-W60 PolarHBondContact O-N 3.03Å |
| 61 | E | 59.5 | Low | 55.4 | Low | 107 Ų | 107 | 132.2 Ų | 132.2 | 50% | 0.5 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -74.7 | -37.3 | 178.2 | -171.6 | 151.9 | -156.2 | 0 | 0 | 112.6 | M57 S58 K63 R64 R65 | M57-E61 PolarHBondContact O-N 3.18Å; S58-E61 PolarHBondContact O-N 3.15Å; E61-K63 VanDerWaalsContact C-N 3.35Å; E61-K63 PolarHBondContact O-N 2.78Å; E61-R64 PolarHBondContact O-N 2.88Å; E61-R65 PolarHBondContact O-N 2.96Å |
| 62 | T | 55.1 | Low | 55 | Low | 67 Ų | 67 | 139.5 Ų | 139.5 | 41% | 0.411 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -66.7 | -33 | 175.1 | 36.8 | 0 | 0 | 0 | 0 | 113 | S58 E59 R65 R66 | S58-T62 PolarHBondContact O-N 2.82Å; S58-T62 PolarHBondContact O-OG1 2.81Å; E59-T62 WeakPolarHBondContact CA-OG1 3.41Å; E59-T62 PolarHBondContact O-OG1 3.49Å; T62-R65 PolarHBondContact O-N 2.78Å; T62-R66 WeakPolarHBondContact O-CB 3.49Å; T62-R66 WeakPolarHBondContact O-CG 3.3Å; T62-R66 PolarHBondContact O-N 3.39Å |
| 63 | K | 56.1 | Low | 54.3 | Low | 155 Ų | 155 | 132.7 Ų | 132.7 | 67% | 0.674 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -63.4 | -39 | 172.9 | -83.7 | -180 | 179.1 | 170.9 | 0 | 112.9 | E59 E61 | E59-K63 PolarHBondContact O-N 3Å; E61-K63 VanDerWaalsContact C-N 3.35Å; E61-K63 PolarHBondContact O-N 2.78Å |
| 64 | R | 54.5 | Low | 53.9 | Low | 204 Ų | 204 | 128 Ų | 128 | 77% | 0.77 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -67.8 | -38.8 | 176.8 | -92.5 | -169.6 | -73.7 | 164.9 | -2.6 | 112.8 | E61 | E61-R64 PolarHBondContact O-N 2.88Å |
| 65 | R | 53.9 | Low | 53.4 | Low | 180 Ų | 180 | 129.2 Ų | 129.2 | 68% | 0.679 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -81 | -30.9 | -179.4 | -67.2 | -163.2 | 179.2 | -168.5 | 1.5 | 114 | E61 T62 G67 S68 | E61-R65 PolarHBondContact O-N 2.96Å; T62-R65 PolarHBondContact O-N 2.78Å; R65-G67 VanDerWaalsContact C-N 3.26Å; R65-G67 PolarHBondContact O-N 3.4Å; R65-S68 WeakPolarHBondContact O-CB 3.5Å; R65-S68 PolarHBondContact O-N 2.89Å; R65-S68 VanDerWaalsContact O-N 3.15Å |
| 66 | R | 53.4 | Low | 52.8 | Low | 188 Ų | 188 | 133 Ų | 133 | 71% | 0.709 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -68.6 | -22.6 | 175.5 | -75.6 | -172.7 | -174.1 | -147.2 | 3.8 | 113.7 | T62 S68 I69 | T62-R66 WeakPolarHBondContact O-CB 3.49Å; T62-R66 WeakPolarHBondContact O-CG 3.3Å; T62-R66 PolarHBondContact O-N 3.39Å; R66-S68 PolarHBondContact O-N 2.84Å; R66-S68 VanDerWaalsContact O-N 3.15Å; R66-I69 PolarHBondContact O-N 3.33Å |
| 67 | G | 53.7 | Low | 52.4 | Low | 55 Ų | 55 | 135.2 Ų | 135.2 | 57% | 0.567 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -61.2 | -17.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | R65 | R65-G67 VanDerWaalsContact C-N 3.26Å; R65-G67 PolarHBondContact O-N 3.4Å |
| 68 | S | 52.9 | Low | 52 | Low | 87 Ų | 87 | 134.7 Ų | 134.7 | 61% | 0.608 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -94.2 | -30.8 | 178.9 | 175.9 | 0 | 0 | 0 | 0 | 113.5 | R65 R66 A70 | R65-S68 WeakPolarHBondContact O-CB 3.5Å; R65-S68 PolarHBondContact O-N 2.89Å; R65-S68 VanDerWaalsContact O-N 3.15Å; R66-S68 PolarHBondContact O-N 2.84Å; R66-S68 VanDerWaalsContact O-N 3.15Å; S68-A70 PolarHBondContact O-N 2.78Å |
| 69 | I | 48.1 | Very low | 51.2 | Low | 123 Ų | 123 | 141.1 Ų | 141.1 | 63% | 0.631 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -78.1 | -24.4 | -173 | -56.8 | 167.5 | 0 | 0 | 0 | 112.1 | R66 R71 R72 | R66-I69 PolarHBondContact O-N 3.33Å; I69-R71 PolarHBondContact O-N 3.04Å; I69-R72 PolarHBondContact O-N 2.95Å |
| 70 | A | 52.4 | Low | 50.8 | Low | 82 Ų | 82 | 140.7 Ų | 140.7 | 68% | 0.678 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61 | -12.3 | 178 | 0 | 0 | 0 | 0 | 0 | 114.1 | S68 | S68-A70 PolarHBondContact O-N 2.78Š|
| 71 | R | 53.2 | Low | 50.3 | Low | 230 Ų | 230 | 140.6 Ų | 140.6 | 87% | 0.868 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.1 | -9.9 | 178.9 | -61 | -167.2 | -161.6 | -160.7 | 4.8 | 115.1 | I69 | I69-R71 PolarHBondContact O-N 3.04Š|
| 72 | R | 51.9 | Low | 49.7 | Very low | 242 Ų | 242 | 144 Ų | 144 | 91% | 0.913 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -119.4 | 9.9 | -166.9 | -135.3 | -175.1 | -83.1 | -160 | -2.9 | 116.9 | I69 | I69-R72 PolarHBondContact O-N 2.95Š|
| 73 | G | 46.7 | Very low | 49.2 | Very low | 61 Ų | 61 | 150.2 Ų | 150.2 | 63% | 0.629 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -149 | -3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 119 | S75 | G73-S75 PolarHBondContact O-N 3.15Š|
| 74 | A | 43.9 | Very low | 48.6 | Very low | 97 Ų | 97 | 144.3 Ų | 144.3 | 80% | 0.802 | 73% | 0.734 | S | S | * | * | | | trans | -87.1 | 71.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | Q76 | A74-Q76 PolarHBondContact O-N 2.97Š|
| 75 | S | 45.1 | Very low | 48.1 | Very low | 105 Ų | 105 | 136.8 Ų | 136.8 | 73% | 0.734 | 72% | 0.719 | S | S | * | * | | | trans | -57.4 | 118.4 | 152.4 | 51 | 0 | 0 | 0 | 0 | 108.8 | G73 | G73-S75 PolarHBondContact O-N 3.15Š|
| 76 | Q | 46 | Very low | 47.9 | Very low | 166 Ų | 166 | 135.3 Ų | 135.3 | 78% | 0.776 | 73% | 0.733 | S | S | * | * | S | Bend | trans | 20.6 | 100.7 | 150.9 | -54.2 | -170.2 | 30.7 | 0 | 0 | 116.7 | A74 | A74-Q76 PolarHBondContact O-N 2.97Š|
| 77 | L | 48.2 | Very low | 47.9 | Very low | 172 Ų | 172 | 129.7 Ų | 129.7 | 90% | 0.901 | 73% | 0.733 | S | S | * | * | | | trans | -168.1 | 98.1 | 141.9 | -101 | 167.5 | 0 | 0 | 0 | 106.6 | | |
| 78 | L | 45.7 | Very low | 47.5 | Very low | 150 Ų | 150 | 130.9 Ų | 130.9 | 79% | 0.785 | 73% | 0.733 | S | S | * | * | | | trans | 146.5 | 64.6 | 164.9 | -77.1 | 170.3 | 0 | 0 | 0 | 107 | T80 | L78-T80 HydrophobicContact CD2-CG2 4.34Å; L78-T80 PolarHBondContact O-N 3.34Å |
| 79 | K | 43.6 | Very low | 47.7 | Very low | 195 Ų | 195 | 135.8 Ų | 135.8 | 85% | 0.848 | 74% | 0.744 | S | S | * | * | | | trans | -69.6 | 66.7 | 150 | -71.8 | -179.8 | 179.2 | 178.8 | 0 | 106.9 | E81 | K79-E81 PolarHBondContact O-N 2.87Š|
| 80 | T | 47.2 | Very low | 48 | Very low | 99 Ų | 99 | 138.3 Ų | 138.3 | 61% | 0.607 | 76% | 0.755 | S | S | * | * | | | trans | -69 | 117.9 | 150 | 44 | 0 | 0 | 0 | 0 | 104.1 | L78 F82 | L78-T80 HydrophobicContact CD2-CG2 4.34Å; L78-T80 PolarHBondContact O-N 3.34Å; T80-F82 PolarHBondContact O-N 3.15Å |
| 81 | E | 45.1 | Very low | 48.4 | Very low | 187 Ų | 187 | 143 Ų | 143 | 87% | 0.874 | 76% | 0.763 | S | S | * | * | | | trans | -64 | 66.2 | 168.4 | -62.1 | -178.3 | 171.7 | 0 | 0 | 108.6 | K79 Q83 | K79-E81 PolarHBondContact O-N 2.87Å; E81-Q83 VanDerWaalsContact C-N 3.3Å; E81-Q83 PolarHBondContact O-N 3.34Å |
| 82 | F | 46 | Very low | 48.9 | Very low | 179 Ų | 179 | 139.2 Ų | 139.2 | 79% | 0.785 | 75% | 0.753 | S | S | * | * | | | trans | -81.2 | 93.8 | 162.9 | -153.9 | -97.4 | 0 | 0 | 0 | 104.4 | T80 G84 | T80-F82 PolarHBondContact O-N 3.15Å; F82-G84 PolarHBondContact O-N 3.36Å |
| 83 | Q | 44.5 | Very low | 49.4 | Very low | 198 Ų | 198 | 134.5 Ų | 134.5 | 93% | 0.925 | 75% | 0.746 | S | S | * | * | | | trans | -68.8 | 53.4 | 172.5 | -162.4 | 169.2 | 31 | 0 | 0 | 110 | E81 | E81-Q83 VanDerWaalsContact C-N 3.3Å; E81-Q83 PolarHBondContact O-N 3.34Å |
| 84 | G | 44.6 | Very low | 50 | Low | 31 Ų | 31 | 135.8 Ų | 135.8 | 32% | 0.32 | 74% | 0.738 | S | S | . | * | | | trans | -91.4 | 94.5 | 161.5 | 0 | 0 | 0 | 0 | 0 | 106.4 | F82 | F82-G84 PolarHBondContact O-N 3.36Š|
| 85 | G | 43.9 | Very low | 50.8 | Low | 45 Ų | 45 | 135.9 Ų | 135.9 | 46% | 0.464 | 74% | 0.739 | S | S | . | * | | | trans | -53.5 | 160.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | G87 S88 | G85-G87 VanDerWaalsContact C-N 3.35Å; G85-G87 PolarHBondContact O-N 2.96Å; G85-S88 PolarHBondContact O-N 3.49Å |
| 86 | P | 50.7 | Low | 51.1 | Low | 149 Ų | 149 | 134.1 Ų | 134.1 | 97% | 0.968 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.2 | 99.4 | 172.2 | 26 | -33 | 0 | 0 | 0 | 108.2 | | |
| 87 | G | 51.4 | Low | 51.6 | Low | 70 Ų | 70 | 131 Ų | 131 | 72% | 0.722 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 143.3 | -14.4 | -168.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | G85 F89 | G85-G87 VanDerWaalsContact C-N 3.35Å; G85-G87 PolarHBondContact O-N 2.96Å; G87-F89 PolarHBondContact O-N 3.19Å |
| 88 | S | 46.3 | Very low | 51.8 | Low | 81 Ų | 81 | 131.8 Ų | 131.8 | 57% | 0.566 | 72% | 0.724 | S | S | * | * | | | trans | -75.6 | 48.4 | 172.2 | 67.4 | 0 | 0 | 0 | 0 | 113.1 | G85 M90 | G85-S88 PolarHBondContact O-N 3.49Å; S88-M90 PolarHBondContact O-N 3.09Å |
| 89 | F | 57.4 | Low | 52.4 | Low | 190 Ų | 190 | 131.7 Ų | 131.7 | 83% | 0.833 | 72% | 0.718 | S | S | * | * | | | trans | -63.1 | 128.7 | 153.9 | -105 | -99.2 | 0 | 0 | 0 | 106.2 | G87 E91 | G87-F89 PolarHBondContact O-N 3.19Å; F89-E91 PolarHBondContact O-N 3.08Å |
| 90 | M | 54.8 | Low | 53 | Low | 175 Ų | 175 | 127.1 Ų | 127.1 | 86% | 0.862 | 72% | 0.716 | S | S | * | * | | | trans | -48.3 | 106.4 | 171.4 | -71.5 | -177.1 | -73 | 0 | 0 | 108.2 | S88 F92 | S88-M90 PolarHBondContact O-N 3.09Å; M90-F92 VanDerWaalsContact C-N 3.31Å; M90-F92 PolarHBondContact O-N 3.01Å |
| 91 | E | 60.6 | Low | 53 | Low | 180 Ų | 180 | 134 Ų | 134 | 84% | 0.841 | 73% | 0.731 | S | S | * | * | | | trans | -68.1 | 97.8 | 176.1 | -161.2 | 174.4 | -157.2 | 0 | 0 | 105.8 | F89 N93 | F89-E91 PolarHBondContact O-N 3.08Å; E91-N93 PolarHBondContact O-N 2.89Å; E91-N93 VanDerWaalsContact O-N 3.15Å |
| 92 | F | 62.8 | Low | 53.4 | Low | 152 Ų | 152 | 134.3 Ų | 134.3 | 67% | 0.667 | 73% | 0.73 | S | S | * | * | | | trans | -70.3 | 110.8 | 174.1 | 52.1 | -81.8 | 0 | 0 | 0 | 106.2 | M90 L94 | M90-F92 VanDerWaalsContact C-N 3.31Å; M90-F92 PolarHBondContact O-N 3.01Å; F92-L94 VanDerWaalsContact C-N 3.3Å; F92-L94 HydrophobicContact CD2-CD1 4.25Å; F92-L94 HydrophobicContact CD2-CD2 3.53Å; F92-L94 HydrophobicContact CD2-CG 3.49Å; F92-L94 VanDerWaalsContact CD2-CG 3.49Å; F92-L94 HydrophobicContact CE2-CD1 3.62Å; F92-L94 HydrophobicContact CE2-CD2 3.54Å; F92-L94 HydrophobicContact CE2-CG 3.39Å; F92-L94 PolarHBondContact O-N 3.25Å |
| 93 | N | 62.6 | Low | 53.7 | Low | 143 Ų | 143 | 131.1 Ų | 131.1 | 77% | 0.765 | 73% | 0.73 | S | S | * | * | | | trans | -62.1 | 91.6 | 175.9 | -103.7 | -37.1 | 0 | 0 | 0 | 109.5 | E91 A95 | E91-N93 PolarHBondContact O-N 2.89Å; E91-N93 VanDerWaalsContact O-N 3.15Å; N93-A95 PolarHBondContact O-N 3.24Å |
| 94 | L | 60.1 | Low | 53.7 | Low | 88 Ų | 88 | 127.8 Ų | 127.8 | 46% | 0.461 | 72% | 0.722 | S | S | . | * | G | 310 helix | trans | -65.9 | -9.5 | 174.6 | -77.4 | 179 | 0 | 0 | 0 | 113.1 | F92 G96 L97 | F92-L94 VanDerWaalsContact C-N 3.3Å; F92-L94 HydrophobicContact CD2-CD1 4.25Å; F92-L94 HydrophobicContact CD2-CD2 3.53Å; F92-L94 HydrophobicContact CD2-CG 3.49Å; F92-L94 VanDerWaalsContact CD2-CG 3.49Å; F92-L94 HydrophobicContact CE2-CD1 3.62Å; F92-L94 HydrophobicContact CE2-CD2 3.54Å; F92-L94 HydrophobicContact CE2-CG 3.39Å; F92-L94 PolarHBondContact O-N 3.25Å; L94-G96 PolarHBondContact O-N 3.41Å; L94-L97 HydrophobicContact CD2-CB 4.21Å; L94-L97 HydrophobicContact CD2-CD2 3.99Å; L94-L97 PolarHBondContact O-N 3.38Å |
| 95 | A | 59.6 | Low | 53.9 | Low | 98 Ų | 98 | 133.1 Ų | 133.1 | 81% | 0.81 | 74% | 0.743 | S | S | * | * | G | 310 helix | trans | -55.5 | -25.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | N93 | N93-A95 PolarHBondContact O-N 3.24Š|
| 96 | G | 52.5 | Low | 54 | Low | 68 Ų | 68 | 137.4 Ų | 137.4 | 70% | 0.701 | 76% | 0.759 | S | S | * | * | G | 310 helix | trans | -91.1 | -10.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | L94 Q98 | L94-G96 PolarHBondContact O-N 3.41Å; G96-Q98 VanDerWaalsContact C-N 3.31Å; G96-Q98 PolarHBondContact O-N 3.28Å |
| 97 | L | 55.7 | Low | 54.1 | Low | 101 Ų | 101 | 133.5 Ų | 133.5 | 53% | 0.529 | 75% | 0.747 | S | S | . | * | | | trans | -85.4 | 78.9 | -177 | -143.4 | 77 | 0 | 0 | 0 | 108.8 | L94 F99 | L94-L97 HydrophobicContact CD2-CB 4.21Å; L94-L97 HydrophobicContact CD2-CD2 3.99Å; L94-L97 PolarHBondContact O-N 3.38Å; L97-F99 HydrophobicContact CB-CE2 4.37Å; L97-F99 HydrophobicContact CD2-CE1 3.88Å; L97-F99 HydrophobicContact CD2-CE2 3.87Å; L97-F99 HydrophobicContact CD2-CZ 3.49Å; L97-F99 VanDerWaalsContact CD2-CZ 3.49Å; L97-F99 HydrophobicContact CG-CE2 4.46Å; L97-F99 HydrophobicContact CG-CZ 4.45Å; L97-F99 WeakPolarHBondContact O-CD2 3.47Å; L97-F99 PolarHBondContact O-N 2.76Å |
| 98 | Q | 53.4 | Low | 53.9 | Low | 188 Ų | 188 | 133.4 Ų | 133.4 | 88% | 0.879 | 74% | 0.739 | S | S | * | * | | | trans | -63.2 | 87.3 | 165.5 | -69.6 | -174.6 | -9.8 | 0 | 0 | 108 | G96 A100 | G96-Q98 VanDerWaalsContact C-N 3.31Å; G96-Q98 PolarHBondContact O-N 3.28Å; Q98-A100 PolarHBondContact O-N 3.28Å |
| 99 | F | 57.4 | Low | 54.1 | Low | 149 Ų | 149 | 136.4 Ų | 136.4 | 65% | 0.654 | 75% | 0.747 | S | S | * | * | | | trans | -56.1 | 110.3 | 163.8 | -69.5 | -81.2 | 0 | 0 | 0 | 106.2 | L97 R101 | L97-F99 HydrophobicContact CB-CE2 4.37Å; L97-F99 HydrophobicContact CD2-CE1 3.88Å; L97-F99 HydrophobicContact CD2-CE2 3.87Å; L97-F99 HydrophobicContact CD2-CZ 3.49Å; L97-F99 VanDerWaalsContact CD2-CZ 3.49Å; L97-F99 HydrophobicContact CG-CE2 4.46Å; L97-F99 HydrophobicContact CG-CZ 4.45Å; L97-F99 WeakPolarHBondContact O-CD2 3.47Å; L97-F99 PolarHBondContact O-N 2.76Å; F99-R101 VanDerWaalsContact C-N 3.32Å; F99-R101 PolarHBondContact O-N 3.28Å |
| 100 | A | 57.2 | Low | 54.1 | Low | 98 Ų | 98 | 132.9 Ų | 132.9 | 81% | 0.81 | 74% | 0.743 | S | S | * | * | | | trans | -54.2 | 101.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 107.6 | Q98 K102 | Q98-A100 PolarHBondContact O-N 3.28Å; A100-K102 VanDerWaalsContact C-N 3.3Å; A100-K102 PolarHBondContact O-N 2.97Å |
| 101 | R | 45.9 | Very low | 54.3 | Low | 245 Ų | 245 | 132.6 Ų | 132.6 | 93% | 0.925 | 74% | 0.74 | S | S | * | * | | | trans | -69.2 | 89.5 | 179.3 | -71.3 | -177.7 | 176.7 | -176.3 | -1.2 | 108 | F99 | F99-R101 VanDerWaalsContact C-N 3.32Å; F99-R101 PolarHBondContact O-N 3.28Å |
| 102 | K | 54.7 | Low | 54.6 | Low | 193 Ų | 193 | 133.5 Ų | 133.5 | 84% | 0.839 | 74% | 0.741 | S | S | * | * | | | trans | -129.9 | 97.1 | 151.3 | -73.4 | -163.5 | 173.7 | -175.1 | 0 | 109.4 | A100 | A100-K102 VanDerWaalsContact C-N 3.3Å; A100-K102 PolarHBondContact O-N 2.97Å |
| 103 | S | 51.7 | Low | 54.6 | Low | 112 Ų | 112 | 131.2 Ų | 131.2 | 78% | 0.783 | 74% | 0.735 | S | S | * | * | | | trans | 57.6 | 107.3 | 149 | 57.6 | 0 | 0 | 0 | 0 | 119.7 | | |
| 104 | V | 45.4 | Very low | 54.4 | Low | 127 Ų | 127 | 128.5 Ų | 128.5 | 77% | 0.77 | 72% | 0.724 | S | S | * | * | | | trans | -12.5 | 117.9 | 142.6 | -176.9 | 0 | 0 | 0 | 0 | 115.3 | V106 | V104-V106 HydrophobicContact CG1-CG2 3.59Š|
| 105 | L | 48 | Very low | 54.7 | Low | 143 Ų | 143 | 129.2 Ų | 129.2 | 75% | 0.749 | 74% | 0.736 | S | S | * | * | | | trans | -121.4 | 99.3 | 146.8 | -139 | 119.6 | 0 | 0 | 0 | 107.3 | G107 A108 | L105-G107 PolarHBondContact O-N 3.45Å; L105-A108 HydrophobicContact CD2-CB 3.42Å; L105-A108 VanDerWaalsContact CD2-CB 3.42Å |
| 106 | V | 46 | Very low | 54.8 | Low | 135 Ų | 135 | 134.8 Ų | 134.8 | 82% | 0.818 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.4 | 115 | 169.1 | 176.6 | 0 | 0 | 0 | 0 | 107.1 | V104 | V104-V106 HydrophobicContact CG1-CG2 3.59Š|
| 107 | G | 51.8 | Low | 55.4 | Low | 68 Ų | 68 | 136.5 Ų | 136.5 | 70% | 0.701 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 91.2 | 13.6 | 159.5 | 0 | 0 | 0 | 0 | 0 | 118.9 | L105 I109 | L105-G107 PolarHBondContact O-N 3.45Å; G107-I109 PolarHBondContact O-N 3.31Å |
| 108 | A | 47.8 | Very low | 55.7 | Low | 67 Ų | 67 | 137.1 Ų | 137.1 | 55% | 0.554 | 73% | 0.728 | S | S | * | * | | | trans | -73.3 | 98.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | L105 | L105-A108 HydrophobicContact CD2-CB 3.42Å; L105-A108 VanDerWaalsContact CD2-CB 3.42Å |
| 109 | I | 50.3 | Low | 56.1 | Low | 144 Ų | 144 | 132 Ų | 132 | 74% | 0.738 | 72% | 0.718 | S | S | * | * | | | trans | -47.3 | 124.5 | 155.8 | -63.4 | 170.5 | 0 | 0 | 0 | 106.5 | G107 Q111 | G107-I109 PolarHBondContact O-N 3.31Å; I109-Q111 VanDerWaalsContact C-N 3.34Å; I109-Q111 PolarHBondContact O-N 3.23Å |
| 110 | P | 58.5 | Low | 56.1 | Low | 116 Ų | 116 | 131.5 Ų | 131.5 | 75% | 0.753 | 72% | 0.722 | S | S | * | * | | | trans | -61.6 | 98.8 | 175.6 | 22.3 | -30 | 0 | 0 | 0 | 108.2 | K112 | P110-K112 PolarHBondContact O-N 2.95Å; P110-K112 VanDerWaalsContact O-N 3.1Å |
| 111 | Q | 57.9 | Low | 56.2 | Low | 169 Ų | 169 | 129.6 Ų | 129.6 | 79% | 0.79 | 71% | 0.706 | S | S | * | * | | | trans | -61.3 | 116.4 | 168.6 | -87.1 | -172.2 | -15.7 | 0 | 0 | 106.3 | I109 L113 | I109-Q111 VanDerWaalsContact C-N 3.34Å; I109-Q111 PolarHBondContact O-N 3.23Å; Q111-L113 PolarHBondContact O-N 3.43Å |
| 112 | K | 66.9 | Low | 56.6 | Low | 200 Ų | 200 | 123.3 Ų | 123.3 | 87% | 0.87 | 70% | 0.697 | S | S | * | * | | | trans | -60 | 104.2 | 171.5 | -65.7 | -179.2 | -180 | 179.5 | 0 | 106.9 | P110 T114 | P110-K112 PolarHBondContact O-N 2.95Å; P110-K112 VanDerWaalsContact O-N 3.1Å; K112-T114 PolarHBondContact O-N 3.15Å |
| 113 | L | 62.3 | Low | 56.9 | Low | 103 Ų | 103 | 119.9 Ų | 119.9 | 54% | 0.539 | 70% | 0.696 | S | S | . | * | | | trans | -60.9 | 121.8 | 171.9 | -62.4 | 176.2 | 0 | 0 | 0 | 107.2 | Q111 Q117 M118 | Q111-L113 PolarHBondContact O-N 3.43Å; L113-Q117 VanDerWaalsContact CA-OE1 3.29Å; L113-Q117 HydrophobicContact CB-CB 4.23Å; L113-Q117 HydrophobicContact CD2-CB 4.39Å; L113-M118 HydrophobicContact CD1-SD 4.25Å |
| 114 | T | 60.1 | Low | 57 | Low | 86 Ų | 86 | 120.4 Ų | 120.4 | 53% | 0.528 | 70% | 0.695 | S | S | . | * | | | trans | -65.5 | 150.8 | 172.9 | 53.5 | 0 | 0 | 0 | 0 | 108.4 | K112 R116 Q117 | K112-T114 PolarHBondContact O-N 3.15Å; T114-R116 PolarHBondContact O-N 3.07Å; T114-Q117 WeakPolarHBondContact O-CB 3.28Å; T114-Q117 PolarHBondContact O-N 3.2Å |
| 115 | S | 66.1 | Low | 57.2 | Low | 104 Ų | 104 | 120 Ų | 120 | 73% | 0.727 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -52.2 | -27.5 | -176.5 | 49.8 | 0 | 0 | 0 | 0 | 113.8 | Q117 M118 | S115-Q117 VanDerWaalsContact C-N 3.33Å; S115-Q117 PolarHBondContact O-N 3.16Å; S115-M118 PolarHBondContact O-N 3.32Å |
| 116 | R | 62.1 | Low | 56.8 | Low | 215 Ų | 215 | 122.6 Ų | 122.6 | 81% | 0.811 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -63.9 | -31.1 | 173.3 | -72 | -173.2 | 172.8 | -168.1 | -2.1 | 114 | T114 | T114-R116 PolarHBondContact O-N 3.07Å |
| 117 | Q | 64.4 | Low | 56.7 | Low | 103 Ų | 103 | 122 Ų | 122 | 48% | 0.481 | 70% | 0.697 | S | S | . | * | H | α-helix | trans | -79.7 | -31.8 | 179.1 | -68.7 | 172.7 | -17.6 | 0 | 0 | 112.2 | L113 T114 S115 A119 N120 | L113-Q117 VanDerWaalsContact CA-OE1 3.29Å; L113-Q117 HydrophobicContact CB-CB 4.23Å; L113-Q117 HydrophobicContact CD2-CB 4.39Å; T114-Q117 WeakPolarHBondContact O-CB 3.28Å; T114-Q117 PolarHBondContact O-N 3.2Å; S115-Q117 VanDerWaalsContact C-N 3.33Å; S115-Q117 PolarHBondContact O-N 3.16Å; Q117-A119 VanDerWaalsContact C-N 3.26Å; Q117-A119 PolarHBondContact O-N 2.88Å; Q117-N120 PolarHBondContact O-N 3.23Å |
| 118 | M | 61.4 | Low | 56.2 | Low | 114 Ų | 114 | 124 Ų | 124 | 56% | 0.562 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -64.3 | -29.4 | 175.6 | -77.2 | -63.4 | -34.2 | 0 | 0 | 112.9 | L113 S115 N120 A121 | L113-M118 HydrophobicContact CD1-SD 4.25Å; S115-M118 PolarHBondContact O-N 3.32Å; M118-N120 VanDerWaalsContact C-N 3.27Å; M118-N120 PolarHBondContact O-N 3.37Å; M118-A121 PolarHBondContact O-N 3.3Å |
| 119 | A | 62.5 | Low | 55.7 | Low | 81 Ų | 81 | 129.7 Ų | 129.7 | 67% | 0.669 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.4 | -24.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q117 | Q117-A119 VanDerWaalsContact C-N 3.26Å; Q117-A119 PolarHBondContact O-N 2.88Å |
| 120 | N | 57.8 | Low | 55.3 | Low | 139 Ų | 139 | 127.9 Ų | 127.9 | 74% | 0.743 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.1 | 5.7 | -178.8 | -66.7 | -17.5 | 0 | 0 | 0 | 113.1 | Q117 M118 P122 | Q117-N120 PolarHBondContact O-N 3.23Å; M118-N120 VanDerWaalsContact C-N 3.27Å; M118-N120 PolarHBondContact O-N 3.37Å; N120-P122 VanDerWaalsContact O-CD 3.3Å; N120-P122 WeakPolarHBondContact O-CD 3.36Å |
| 121 | A | 58.3 | Low | 54.6 | Low | 57 Ų | 57 | 128 Ų | 128 | 47% | 0.471 | 72% | 0.717 | S | S | . | * | S | Bend | trans | -65.6 | 118.6 | 176 | 0 | 0 | 0 | 0 | 0 | 108.8 | M118 C123 | M118-A121 PolarHBondContact O-N 3.3Å; A121-C123 PolarHBondContact O-N 3.39Å |
| 122 | P | 54 | Low | 53.7 | Low | 114 Ų | 114 | 127.9 Ų | 127.9 | 74% | 0.74 | 72% | 0.72 | S | S | * | * | | | trans | -62.1 | 116.8 | -178.9 | 22.7 | -30.9 | 0 | 0 | 0 | 109.5 | N120 T124 | N120-P122 VanDerWaalsContact O-CD 3.3Å; N120-P122 WeakPolarHBondContact O-CD 3.36Å; P122-T124 PolarHBondContact O-N 3.37Å; P122-T124 VanDerWaalsContact O-N 3.08Å |
| 123 | C | 60.7 | Low | 52 | Low | 121 Ų | 121 | 126.4 Ų | 126.4 | 82% | 0.818 | 72% | 0.716 | S | S | * | * | | | trans | -72.8 | 96.8 | 172.3 | -170.1 | 0 | 0 | 0 | 0 | 108 | A121 T125 | A121-C123 PolarHBondContact O-N 3.39Å; C123-T125 PolarHBondContact O-N 3.41Å; C123-T125 VanDerWaalsContact O-N 3.09Å |
| 124 | T | 54.8 | Low | 50.8 | Low | 123 Ų | 123 | 131.3 Ų | 131.3 | 76% | 0.755 | 73% | 0.733 | S | S | * | * | | | trans | -81.8 | 87 | 178.9 | 51.3 | 0 | 0 | 0 | 0 | 110 | P122 Q126 | P122-T124 PolarHBondContact O-N 3.37Å; P122-T124 VanDerWaalsContact O-N 3.08Å; T124-Q126 PolarHBondContact O-N 3.44Å |
| 125 | T | 49 | Very low | 49.7 | Very low | 119 Ų | 119 | 134.3 Ų | 134.3 | 73% | 0.73 | 75% | 0.746 | S | S | * | * | | | trans | -60.7 | 123.9 | 163.8 | -35.9 | 0 | 0 | 0 | 0 | 108.1 | C123 V127 | C123-T125 PolarHBondContact O-N 3.41Å; C123-T125 VanDerWaalsContact O-N 3.09Å; T125-V127 PolarHBondContact O-N 3.45Å |
| 126 | Q | 40.9 | Very low | 48.2 | Very low | 196 Ų | 196 | 134.8 Ų | 134.8 | 92% | 0.916 | 75% | 0.749 | S | S | * | * | | | trans | -60.9 | 105.8 | -176.8 | -64.5 | -140.5 | 35.5 | 0 | 0 | 111 | T124 | T124-Q126 PolarHBondContact O-N 3.44Š|
| 127 | V | 42 | Very low | 46.8 | Very low | 122 Ų | 122 | 130.6 Ų | 130.6 | 74% | 0.739 | 75% | 0.751 | S | S | * | * | | | trans | -100.6 | 115.7 | 166.8 | 170.7 | 0 | 0 | 0 | 0 | 107.8 | T125 | T125-V127 PolarHBondContact O-N 3.45Š|
| 128 | S | 43.2 | Very low | 45.8 | Very low | 112 Ų | 112 | 131.2 Ų | 131.2 | 78% | 0.783 | 77% | 0.765 | S | S | * | * | | | trans | -47.9 | 132.6 | 171 | 46.6 | 0 | 0 | 0 | 0 | 112.8 | | |
| 129 | Q | 36.8 | Very low | 44.9 | Very low | 185 Ų | 185 | 132.2 Ų | 132.2 | 86% | 0.864 | 78% | 0.779 | S | S | * | * | | | trans | -135.8 | 155.1 | 167.8 | -89.3 | -137.8 | -18.6 | 0 | 0 | 112.6 | | |
| 130 | P | 41.2 | Very low | 43.9 | Very low | 107 Ų | 107 | 133.1 Ų | 133.1 | 70% | 0.695 | 78% | 0.781 | S | S | * | * | | | trans | -96.2 | 168 | -143.8 | 36.8 | -34.8 | 0 | 0 | 0 | 115.2 | | |
| 131 | S | 43.3 | Very low | 43 | Very low | 117 Ų | 117 | 133.3 Ų | 133.3 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | | | trans | -46.3 | 130 | 177.6 | 59.3 | 0 | 0 | 0 | 0 | 114.2 | | |
| 132 | I | 40.4 | Very low | 42.3 | Very low | 168 Ų | 168 | 140.3 Ų | 140.3 | 86% | 0.862 | 80% | 0.802 | S | S | * | * | | | trans | -110.8 | 135.4 | 163.1 | -62.4 | 176.2 | 0 | 0 | 0 | 108.9 | | |
| 133 | Q | 31.3 | Very low | 41.6 | Very low | 169 Ų | 169 | 142.9 Ų | 142.9 | 79% | 0.79 | 81% | 0.809 | S | S | * | * | | | trans | -62.3 | 145 | -165.9 | -69.5 | 162 | -30.3 | 0 | 0 | 113.5 | D135 | Q133-D135 PolarHBondContact O-N 2.81Š|
| 134 | K | 37.3 | Very low | 40.9 | Very low | 205 Ų | 205 | 141.7 Ų | 141.7 | 89% | 0.891 | 80% | 0.802 | S | S | * | * | | | trans | -67.5 | 119.5 | 164.2 | -76.9 | 177.5 | 172.9 | -178.9 | 0 | 108.7 | | |
| 135 | D | 35.3 | Very low | 40.8 | Very low | 150 Ų | 150 | 142.1 Ų | 142.1 | 80% | 0.802 | 81% | 0.807 | S | S | * | * | | | trans | -136.6 | 88.6 | 154.9 | -81.6 | -38.6 | 0 | 0 | 0 | 108.6 | Q133 | Q133-D135 PolarHBondContact O-N 2.81Š|
| 136 | S | 36.6 | Very low | 40.7 | Very low | 113 Ų | 113 | 142.4 Ų | 142.4 | 79% | 0.79 | 81% | 0.809 | S | S | * | * | | | trans | -174.1 | 99.2 | 151.4 | 36.7 | 0 | 0 | 0 | 0 | 109.4 | | |
| 137 | C | 32 | Very low | 40.4 | Very low | 127 Ų | 127 | 137.9 Ų | 137.9 | 86% | 0.858 | 80% | 0.799 | S | S | * | * | | | trans | -158.3 | 116.9 | 147.7 | -101.2 | 0 | 0 | 0 | 0 | 108 | | |
| 138 | P | 43.6 | Very low | 41 | Very low | 117 Ų | 117 | 138.7 Ų | 138.7 | 76% | 0.76 | 80% | 0.804 | S | S | * | * | | | trans | -72.1 | 153.7 | 163.4 | 31.5 | -30.6 | 0 | 0 | 0 | 109.8 | S140 | P138-S140 PolarHBondContact O-N 2.95Š|
| 139 | P | 42.8 | Very low | 41.4 | Very low | 134 Ų | 134 | 140.4 Ų | 140.4 | 87% | 0.87 | 80% | 0.803 | S | S | * | * | | | trans | -78.7 | 123.8 | -170.5 | 31.1 | -33.2 | 0 | 0 | 0 | 111.1 | | |
| 140 | S | 41.7 | Very low | 42 | Very low | 101 Ų | 101 | 137 Ų | 137 | 71% | 0.706 | 80% | 0.797 | S | S | * | * | | | trans | -154.5 | 94.7 | 163.9 | 164.6 | 0 | 0 | 0 | 0 | 110.4 | P138 | P138-S140 PolarHBondContact O-N 2.95Š|
| 141 | N | 37.4 | Very low | 43 | Very low | 142 Ų | 142 | 136.7 Ų | 136.7 | 76% | 0.759 | 80% | 0.803 | S | S | * | * | S | Bend | trans | 79.2 | 84.9 | 157.8 | -59.5 | -38.2 | 0 | 0 | 0 | 118.8 | | |
| 142 | K | 43.4 | Very low | 43.6 | Very low | 205 Ų | 205 | 137 Ų | 137 | 89% | 0.891 | 80% | 0.801 | S | S | * | * | | | trans | 58.8 | 75 | 141.5 | -58.1 | -97.1 | -178.7 | 172.7 | 0 | 115.9 | S144 | K142-S144 PolarHBondContact O-N 2.91Š|
| 143 | D | 41.1 | Very low | 44.7 | Very low | 167 Ų | 167 | 136.5 Ų | 136.5 | 89% | 0.893 | 79% | 0.794 | S | S | * | * | | | trans | -69.3 | 120.8 | 175.8 | -73.1 | -49.8 | 0 | 0 | 0 | 113.7 | | |
| 144 | S | 45.6 | Very low | 45.8 | Very low | 97 Ų | 97 | 135.6 Ų | 135.6 | 68% | 0.678 | 80% | 0.795 | S | S | * | * | | | trans | -89.9 | 128.9 | 159.2 | 74.5 | 0 | 0 | 0 | 0 | 110.1 | K142 T146 | K142-S144 PolarHBondContact O-N 2.91Å; S144-T146 PolarHBondContact O-N 3.1Å |
| 145 | P | 51.8 | Low | 47.3 | Very low | 131 Ų | 131 | 135.5 Ų | 135.5 | 85% | 0.851 | 79% | 0.789 | S | S | * | * | | | trans | -90.3 | 95 | 173 | 32.1 | -30.2 | 0 | 0 | 0 | 111.1 | S147 | P145-S147 PolarHBondContact O-N 2.78Š|
| 146 | T | 46.8 | Very low | 48.5 | Very low | 126 Ų | 126 | 134.1 Ų | 134.1 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | | | trans | -90.3 | 100.5 | 166.7 | -60.9 | 0 | 0 | 0 | 0 | 110.5 | S144 | S144-T146 PolarHBondContact O-N 3.1Š|
| 147 | S | 35.7 | Very low | 49.9 | Very low | 100 Ų | 100 | 138 Ų | 138 | 70% | 0.699 | 79% | 0.794 | S | S | * | * | | | trans | 29.2 | 110 | 136.6 | -169 | 0 | 0 | 0 | 0 | 119.1 | P145 | P145-S147 PolarHBondContact O-N 2.78Š|
| 148 | T | 53.4 | Low | 51.9 | Low | 140 Ų | 140 | 142.8 Ų | 142.8 | 86% | 0.859 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 124.6 | 169.2 | -52.6 | 0 | 0 | 0 | 0 | 111.5 | | |
| 149 | I | 52.1 | Low | 53 | Low | 147 Ų | 147 | 143.3 Ų | 143.3 | 75% | 0.754 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 137.7 | 179.6 | -60.7 | 167.5 | 0 | 0 | 0 | 110.3 | | |
| 150 | P | 50.3 | Low | 54.5 | Low | 114 Ų | 114 | 143.3 Ų | 143.3 | 74% | 0.74 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 131.2 | 179.4 | 26.6 | -32.8 | 0 | 0 | 0 | 112.8 | V152 | P150-V152 PolarHBondContact O-N 2.98Š|
| 151 | A | 61.5 | Low | 55.9 | Low | 100 Ų | 100 | 143.2 Ų | 143.2 | 83% | 0.826 | 80% | 0.8 | S | S | * | * | | | trans | -71.4 | 104.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q153 | A151-Q153 PolarHBondContact O-N 2.94Å; A151-Q153 VanDerWaalsContact O-N 3.16Å |
| 152 | V | 55.6 | Low | 57.6 | Low | 125 Ų | 125 | 145 Ų | 145 | 76% | 0.758 | 80% | 0.797 | S | S | * | * | | | trans | -63.3 | 114.3 | 167.7 | 178.9 | 0 | 0 | 0 | 0 | 108.4 | P150 N154 | P150-V152 PolarHBondContact O-N 2.98Å; V152-N154 VanDerWaalsContact C-N 3.3Å; V152-N154 PolarHBondContact O-N 2.99Å |
| 153 | Q | 64.6 | Low | 59.2 | Low | 157 Ų | 157 | 145.1 Ų | 145.1 | 73% | 0.734 | 80% | 0.798 | S | S | * | * | | | trans | -73.2 | 78.4 | -175.7 | -158 | 176.6 | 24.1 | 0 | 0 | 110.4 | A151 R155 | A151-Q153 PolarHBondContact O-N 2.94Å; A151-Q153 VanDerWaalsContact O-N 3.16Å; Q153-R155 VanDerWaalsContact C-N 3.34Å; Q153-R155 PolarHBondContact O-N 3.18Å |
| 154 | N | 54.2 | Low | 60.6 | Low | 149 Ų | 149 | 147 Ų | 147 | 80% | 0.797 | 79% | 0.792 | S | S | * | * | | | trans | -65.5 | 89.5 | 169.8 | -92 | -41.9 | 0 | 0 | 0 | 109.7 | V152 | V152-N154 VanDerWaalsContact C-N 3.3Å; V152-N154 PolarHBondContact O-N 2.99Å |
| 155 | R | 67.1 | Low | 61.9 | Low | 203 Ų | 203 | 148.4 Ų | 148.4 | 77% | 0.766 | 80% | 0.797 | S | S | * | * | | | trans | -73.3 | 128.7 | 169.7 | -82.8 | -172.6 | 175.2 | 177.2 | 0.2 | 109.5 | Q153 Q157 | Q153-R155 VanDerWaalsContact C-N 3.34Å; Q153-R155 PolarHBondContact O-N 3.18Å; R155-Q157 PolarHBondContact O-N 2.83Å |
| 156 | P | 61.7 | Low | 62.8 | Low | 122 Ų | 122 | 147.8 Ų | 147.8 | 79% | 0.792 | 79% | 0.79 | S | S | * | * | | | trans | -64.6 | 117.6 | 177.7 | -19.9 | 31.2 | 0 | 0 | 0 | 111.4 | R158 | P156-R158 PolarHBondContact O-N 2.72Š|
| 157 | Q | 65.2 | Low | 63.5 | Low | 195 Ų | 195 | 148.8 Ų | 148.8 | 91% | 0.911 | 79% | 0.791 | S | S | * | * | | | trans | -73.9 | 114.5 | 173.8 | -159.3 | 164.6 | 8.9 | 0 | 0 | 108.7 | R155 | R155-Q157 PolarHBondContact O-N 2.83Š|
| 158 | R | 74.7 | Confident | 64.6 | Low | 226 Ų | 226 | 151.9 Ų | 151.9 | 85% | 0.853 | 80% | 0.799 | S | S | * | * | | | trans | -69.8 | 134 | -176.6 | -73 | -177.1 | 174.5 | -179.1 | -1.5 | 110.7 | P156 V160 | P156-R158 PolarHBondContact O-N 2.72Å; R158-V160 PolarHBondContact O-N 2.76Å |
| 159 | P | 66.1 | Low | 64.6 | Low | 128 Ų | 128 | 150.4 Ų | 150.4 | 83% | 0.831 | 79% | 0.794 | S | S | * | * | | | trans | -68.4 | 127.3 | 177.7 | 24.9 | -30.9 | 0 | 0 | 0 | 111.2 | A161 | P159-A161 PolarHBondContact O-N 2.91Š|
| 160 | V | 73.7 | Confident | 64.5 | Low | 135 Ų | 135 | 148.2 Ų | 148.2 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | | | trans | -82 | 111.6 | 174.8 | -179.9 | 0 | 0 | 0 | 0 | 108.5 | R158 Y162 | R158-V160 PolarHBondContact O-N 2.76Å; V160-Y162 PolarHBondContact O-N 3.16Å |
| 161 | A | 71.8 | Confident | 64.4 | Low | 98 Ų | 98 | 154.2 Ų | 154.2 | 81% | 0.81 | 81% | 0.806 | S | S | * | * | | | trans | -76.2 | 115.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | P159 | P159-A161 PolarHBondContact O-N 2.91Š|
| 162 | Y | 73.4 | Confident | 63.8 | Low | 180 Ų | 180 | 155.7 Ų | 155.7 | 71% | 0.706 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 128.4 | 170.8 | 53.7 | -90.9 | 0 | 0 | 0 | 110.4 | V160 R164 | V160-Y162 PolarHBondContact O-N 3.16Å; Y162-R164 HydrophobicContact CD2-CG 4.35Å; Y162-R164 HydrophobicContact CE2-CG 4.34Å |
| 163 | K | 76.9 | Confident | 63.2 | Low | 207 Ų | 207 | 156.8 Ų | 156.8 | 90% | 0.9 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 124 | 172.9 | -75 | -176.3 | 177.8 | 179.2 | 0 | 109.2 | | |
| 164 | R | 71.5 | Confident | 62.1 | Low | 206 Ų | 206 | 158.5 Ų | 158.5 | 78% | 0.777 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 123.3 | 168.8 | -57.6 | -171 | -151.3 | 178.2 | 6.1 | 108.9 | Y162 | Y162-R164 HydrophobicContact CD2-CG 4.35Å; Y162-R164 HydrophobicContact CE2-CG 4.34Å |
| 165 | V | 72.1 | Confident | 61.5 | Low | 128 Ų | 128 | 156.3 Ų | 156.3 | 78% | 0.776 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 117 | 171.1 | 179.7 | 0 | 0 | 0 | 0 | 107.4 | | |
| 166 | V | 71.1 | Confident | 60.3 | Low | 118 Ų | 118 | 152.7 Ų | 152.7 | 72% | 0.715 | 81% | 0.813 | S | S | * | * | | | trans | -102.7 | 112 | 174.2 | -160.8 | 0 | 0 | 0 | 0 | 107.2 | L168 | V166-L168 PolarHBondContact O-N 2.94Å; V166-L168 VanDerWaalsContact O-N 3.17Å |
| 167 | N | 61.1 | Low | 59.6 | Low | 147 Ų | 147 | 152.3 Ų | 152.3 | 79% | 0.786 | 81% | 0.813 | S | S | * | * | | | trans | -72.4 | 104.9 | 175.8 | -74.2 | -15.4 | 0 | 0 | 0 | 109 | S169 | N167-S169 PolarHBondContact O-N 3.37Š|
| 168 | L | 59.3 | Low | 58.1 | Low | 165 Ų | 165 | 149.4 Ų | 149.4 | 86% | 0.864 | 81% | 0.809 | S | S | * | * | | | trans | -77.6 | 115 | 173.1 | -71.6 | 166.6 | 0 | 0 | 0 | 108.9 | V166 A170 | V166-L168 PolarHBondContact O-N 2.94Å; V166-L168 VanDerWaalsContact O-N 3.17Å; L168-A170 PolarHBondContact O-N 3.31Å |
| 169 | S | 53.6 | Low | 56.6 | Low | 109 Ų | 109 | 143.3 Ų | 143.3 | 76% | 0.762 | 80% | 0.801 | S | S | * | * | | | trans | -67 | 122.8 | 169.8 | -70.7 | 0 | 0 | 0 | 0 | 109.4 | N167 R171 | N167-S169 PolarHBondContact O-N 3.37Å; S169-R171 PolarHBondContact O-N 3.3Å |
| 170 | A | 48.7 | Very low | 55.1 | Low | 101 Ų | 101 | 146.8 Ų | 146.8 | 84% | 0.835 | 81% | 0.806 | S | S | * | * | | | trans | -59.4 | 100.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | L168 | L168-A170 PolarHBondContact O-N 3.31Š|
| 171 | R | 48.7 | Very low | 53.6 | Low | 239 Ų | 239 | 145.6 Ų | 145.6 | 90% | 0.902 | 80% | 0.804 | S | S | * | * | | | trans | -99.2 | 113.3 | 164.8 | -72.7 | -144.6 | 176.4 | -163 | 0.8 | 108.9 | S169 | S169-R171 PolarHBondContact O-N 3.3Š|
| 172 | V | 49.7 | Very low | 51.8 | Low | 131 Ų | 131 | 150.6 Ų | 150.6 | 79% | 0.794 | 81% | 0.807 | S | S | * | * | | | trans | -45.8 | 140.8 | 177.5 | 172.6 | 0 | 0 | 0 | 0 | 112.2 | Q174 | V172-Q174 PolarHBondContact O-N 3.43Š|
| 173 | D | 42.4 | Very low | 50 | Low | 149 Ų | 149 | 146.3 Ų | 146.3 | 80% | 0.797 | 80% | 0.804 | S | S | * | * | | | trans | -48 | 120 | -177.5 | -55.4 | -69.2 | 0 | 0 | 0 | 113.3 | | |
| 174 | Q | 40.8 | Very low | 48.1 | Very low | 192 Ų | 192 | 143.2 Ų | 143.2 | 90% | 0.897 | 80% | 0.803 | S | S | * | * | | | trans | -107.1 | 106.8 | 156 | -83.8 | -171.7 | -4.7 | 0 | 0 | 108.8 | V172 | V172-Q174 PolarHBondContact O-N 3.43Š|
| 175 | S | 41.4 | Very low | 46.5 | Very low | 104 Ų | 104 | 138.5 Ų | 138.5 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | | | trans | -60.5 | 139.7 | 170.9 | -47.6 | 0 | 0 | 0 | 0 | 110.4 | S177 | S175-S177 PolarHBondContact O-N 3.43Å; S175-S177 VanDerWaalsContact O-N 3.15Å |
| 176 | P | 42.7 | Very low | 45 | Very low | 126 Ų | 126 | 136.9 Ų | 136.9 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | | | trans | -69.2 | 112.3 | -175.5 | 25.9 | -32.3 | 0 | 0 | 0 | 111.3 | | |
| 177 | S | 46.8 | Very low | 43.9 | Very low | 114 Ų | 114 | 137.4 Ų | 137.4 | 80% | 0.797 | 80% | 0.804 | S | S | * | * | | | trans | -81.2 | 120.6 | 167.8 | -177.4 | 0 | 0 | 0 | 0 | 109.5 | S175 | S175-S177 PolarHBondContact O-N 3.43Å; S175-S177 VanDerWaalsContact O-N 3.15Å |
| 178 | T | 34.1 | Very low | 43 | Very low | 135 Ų | 135 | 138.5 Ų | 138.5 | 83% | 0.828 | 81% | 0.805 | S | S | * | * | | | trans | -88.3 | 113.4 | 174.2 | 49.9 | 0 | 0 | 0 | 0 | 109.8 | | |
| 179 | S | 43.6 | Very low | 42.5 | Very low | 98 Ų | 98 | 137.6 Ų | 137.6 | 69% | 0.685 | 80% | 0.801 | S | S | * | * | | | trans | -150.5 | 118 | 161.3 | 56.1 | 0 | 0 | 0 | 0 | 110.2 | | |
| 180 | E | 33.2 | Very low | 41.8 | Very low | 200 Ų | 200 | 137.6 Ų | 137.6 | 94% | 0.935 | 80% | 0.801 | S | S | * | * | | | trans | -72.1 | 121.9 | 173 | -64.1 | -179.8 | 142.8 | 0 | 0 | 109.9 | | |
| 181 | S | 43.5 | Very low | 41.6 | Very low | 110 Ų | 110 | 139 Ų | 139 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | | | trans | -155.4 | 119.5 | 167.8 | -50.7 | 0 | 0 | 0 | 0 | 110.6 | | |
| 182 | K | 34.1 | Very low | 41.2 | Very low | 203 Ų | 203 | 133 Ų | 133 | 88% | 0.883 | 79% | 0.793 | S | S | * | * | | | trans | -50.5 | 164.6 | 157.7 | -87.2 | 167.3 | 161.1 | 169.8 | 0 | 111 | | |
| 183 | S | 35.2 | Very low | 41 | Very low | 91 Ų | 91 | 132.9 Ų | 132.9 | 64% | 0.636 | 79% | 0.794 | S | S | * | * | | | cis | -171.7 | 165 | -21.8 | 53.9 | 0 | 0 | 0 | 0 | 105.5 | | |
| 184 | T | 37 | Very low | 41.1 | Very low | 142 Ų | 142 | 131.6 Ų | 131.6 | 87% | 0.871 | 79% | 0.793 | S | S | * | * | | | trans | 78.3 | 143.1 | 175.4 | 71 | 0 | 0 | 0 | 0 | 115.7 | | |
| 185 | S | 37.5 | Very low | 41 | Very low | 107 Ų | 107 | 127.3 Ų | 127.3 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | | | cis | -147.4 | 158.2 | 13.5 | 57.4 | 0 | 0 | 0 | 0 | 109.9 | | |
| 186 | A | 39.9 | Very low | 41.3 | Very low | 94 Ų | 94 | 128 Ų | 128 | 78% | 0.777 | 80% | 0.795 | S | S | * | * | | | trans | -72.7 | 133 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 187 | V | 48.5 | Very low | 41.2 | Very low | 128 Ų | 128 | 129.4 Ų | 129.4 | 78% | 0.776 | 80% | 0.796 | S | S | * | * | | | trans | -105.8 | 104.6 | 156 | -179.3 | 0 | 0 | 0 | 0 | 107 | N189 | V187-N189 PolarHBondContact O-N 2.96Š|
| 188 | Q | 42.2 | Very low | 41 | Very low | 171 Ų | 171 | 130.5 Ų | 130.5 | 80% | 0.799 | 80% | 0.797 | S | S | * | * | | | trans | -63.1 | 119.8 | 167.2 | -70.1 | 172.3 | -51.3 | 0 | 0 | 108.6 | | |
| 189 | N | 48.9 | Very low | 41.2 | Very low | 146 Ų | 146 | 134.5 Ų | 134.5 | 78% | 0.781 | 80% | 0.797 | S | S | * | * | | | trans | -107.6 | 100.4 | 154.3 | -82 | -7 | 0 | 0 | 0 | 107.3 | V187 | V187-N189 PolarHBondContact O-N 2.96Š|
| 190 | S | 38.7 | Very low | 41 | Very low | 109 Ų | 109 | 132.6 Ų | 132.6 | 76% | 0.762 | 79% | 0.787 | S | S | * | * | | | trans | -59.6 | 125.4 | 168.8 | -49.2 | 0 | 0 | 0 | 0 | 109.2 | | |
| 191 | T | 46.1 | Very low | 41.3 | Very low | 131 Ų | 131 | 128.3 Ų | 128.3 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | | | trans | -142 | 113.7 | 160 | -50.4 | 0 | 0 | 0 | 0 | 108.4 | | |
| 192 | S | 39.8 | Very low | 41.2 | Very low | 111 Ų | 111 | 132.3 Ų | 132.3 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 129 | -174.6 | 46.1 | 0 | 0 | 0 | 0 | 112.6 | | |
| 193 | T | 45.4 | Very low | 41.3 | Very low | 130 Ų | 130 | 127 Ų | 127 | 80% | 0.798 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -74 | 124.6 | 170.4 | -19.1 | 0 | 0 | 0 | 0 | 109.8 | A195 | T193-A195 PolarHBondContact O-N 3.06Š|
| 194 | P | 43.4 | Very low | 41.3 | Very low | 122 Ų | 122 | 129.3 Ų | 129.3 | 79% | 0.792 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -75 | 116.1 | 165.2 | 27.4 | -28.9 | 0 | 0 | 0 | 109.5 | | |
| 195 | A | 38.2 | Very low | 41.3 | Very low | 102 Ų | 102 | 129.1 Ų | 129.1 | 84% | 0.843 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 128.2 | 168 | 0 | 0 | 0 | 0 | 0 | 110.2 | T193 | T193-A195 PolarHBondContact O-N 3.06Š|
| 196 | S | 47.9 | Very low | 41.3 | Very low | 117 Ų | 117 | 131.8 Ų | 131.8 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | | | trans | -168.8 | 125.5 | 150.6 | -177.3 | 0 | 0 | 0 | 0 | 111.6 | | |
| 197 | N | 41.3 | Very low | 41.2 | Very low | 157 Ų | 157 | 134.5 Ų | 134.5 | 84% | 0.84 | 78% | 0.783 | S | S | * | * | | | trans | -59.4 | 128.3 | -178.4 | -74.2 | -50.7 | 0 | 0 | 0 | 113.8 | | |
| 198 | V | 42.8 | Very low | 40.6 | Very low | 136 Ų | 136 | 131.7 Ų | 131.7 | 82% | 0.824 | 78% | 0.78 | S | S | * | * | | | trans | -106.2 | 84.4 | 156.4 | -175 | 0 | 0 | 0 | 0 | 108.4 | A200 | V198-A200 VanDerWaalsContact C-N 3.3Å; V198-A200 HydrophobicContact CG1-CB 4.03Å; V198-A200 PolarHBondContact O-N 2.79Å |
| 199 | R | 37.6 | Very low | 40.2 | Very low | 220 Ų | 220 | 132.5 Ų | 132.5 | 83% | 0.83 | 78% | 0.784 | S | S | * | * | | | trans | -81.9 | 81.6 | 160.1 | -173.7 | -177.7 | -176.5 | -164 | 1.4 | 107.2 | T201 | R199-T201 PolarHBondContact O-N 2.72Š|
| 200 | A | 40.6 | Very low | 39.8 | Very low | 57 Ų | 57 | 132 Ų | 132 | 47% | 0.471 | 79% | 0.786 | S | S | . | * | | | trans | -85.2 | 89.3 | 169 | 0 | 0 | 0 | 0 | 0 | 108.6 | V198 F202 | V198-A200 VanDerWaalsContact C-N 3.3Å; V198-A200 HydrophobicContact CG1-CB 4.03Å; V198-A200 PolarHBondContact O-N 2.79Å; A200-F202 HydrophobicContact CB-CE2 4.24Å; A200-F202 WeakPolarHBondContact O-CD2 3.36Å; A200-F202 PolarHBondContact O-N 3.15Å; A200-F202 VanDerWaalsContact O-N 3.1Å |
| 201 | T | 38.1 | Very low | 39.7 | Very low | 111 Ų | 111 | 137.7 Ų | 137.7 | 68% | 0.681 | 79% | 0.791 | S | S | * | * | | | trans | -60.5 | 104.6 | 159.6 | 33.7 | 0 | 0 | 0 | 0 | 108.4 | R199 S203 | R199-T201 PolarHBondContact O-N 2.72Å; T201-S203 VanDerWaalsContact C-N 3.28Å; T201-S203 PolarHBondContact O-N 3.48Å |
| 202 | F | 42.3 | Very low | 39.5 | Very low | 193 Ų | 193 | 140.8 Ų | 140.8 | 85% | 0.846 | 79% | 0.793 | S | S | * | * | | | trans | -72.2 | 87.5 | 166.9 | -71.3 | -86.4 | 0 | 0 | 0 | 108.5 | A200 V204 | A200-F202 HydrophobicContact CB-CE2 4.24Å; A200-F202 WeakPolarHBondContact O-CD2 3.36Å; A200-F202 PolarHBondContact O-N 3.15Å; A200-F202 VanDerWaalsContact O-N 3.1Å; F202-V204 PolarHBondContact O-N 2.77Å |
| 203 | S | 35.4 | Very low | 39.4 | Very low | 92 Ų | 92 | 142.5 Ų | 142.5 | 64% | 0.643 | 79% | 0.794 | S | S | * | * | | | trans | -74.3 | 108 | 163.6 | 179.7 | 0 | 0 | 0 | 0 | 108 | T201 N205 | T201-S203 VanDerWaalsContact C-N 3.28Å; T201-S203 PolarHBondContact O-N 3.48Å; S203-N205 PolarHBondContact O-N 2.8Å |
| 204 | V | 36.7 | Very low | 39.1 | Very low | 140 Ų | 140 | 144.6 Ų | 144.6 | 85% | 0.848 | 79% | 0.794 | S | S | * | * | | | trans | -75 | 72.4 | 169.4 | -87.6 | 0 | 0 | 0 | 0 | 109.6 | F202 | F202-V204 PolarHBondContact O-N 2.77Š|
| 205 | N | 36.9 | Very low | 39.1 | Very low | 138 Ų | 138 | 145.8 Ų | 145.8 | 74% | 0.738 | 80% | 0.799 | S | S | * | * | | | trans | -106.7 | 79.3 | 161.6 | -81 | -12.5 | 0 | 0 | 0 | 108 | S203 | S203-N205 PolarHBondContact O-N 2.8Š|
| 206 | N | 36.5 | Very low | 39.2 | Very low | 163 Ų | 163 | 147.5 Ų | 147.5 | 87% | 0.872 | 79% | 0.793 | S | S | * | * | | | trans | -140.6 | 59.5 | 170.9 | -98.9 | -25.8 | 0 | 0 | 0 | 110.4 | | |
| 207 | V | 37.7 | Very low | 38.9 | Very low | 150 Ų | 150 | 155.2 Ų | 155.2 | 91% | 0.909 | 81% | 0.812 | S | S | * | * | S | Bend | trans | -139.1 | 107.6 | 151.1 | 179.7 | 0 | 0 | 0 | 0 | 107 | | |
| 208 | G | 36.7 | Very low | 38.7 | Very low | 69 Ų | 69 | 155.1 Ų | 155.1 | 71% | 0.711 | 81% | 0.811 | S | S | * | * | | | trans | 102.7 | 78 | 163.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 209 | Q | 34.1 | Very low | 38.5 | Very low | 189 Ų | 189 | 156.1 Ų | 156.1 | 88% | 0.883 | 81% | 0.81 | S | S | * | * | | | trans | -130.8 | 99.5 | 141.7 | -80.6 | -159 | 16.7 | 0 | 0 | 109.3 | R211 | Q209-R211 PolarHBondContact O-N 3.46Š|
| 210 | V | 39.9 | Very low | 38.6 | Very low | 136 Ų | 136 | 152.6 Ų | 152.6 | 82% | 0.824 | 81% | 0.809 | S | S | * | * | | | trans | -66.9 | 111.2 | 161 | 176.7 | 0 | 0 | 0 | 0 | 106.3 | K212 | V210-K212 PolarHBondContact O-N 2.76Š|
| 211 | R | 35.9 | Very low | 38.5 | Very low | 228 Ų | 228 | 158.2 Ų | 158.2 | 86% | 0.86 | 83% | 0.829 | S | S | * | * | | | trans | -69 | 119.5 | 167.8 | -68.2 | -175.9 | -180 | 178 | -1.2 | 108.8 | Q209 | Q209-R211 PolarHBondContact O-N 3.46Š|
| 212 | K | 41.8 | Very low | 38.5 | Very low | 196 Ų | 196 | 161.1 Ų | 161.1 | 85% | 0.852 | 84% | 0.838 | S | S | * | * | | | trans | -149.4 | 81.6 | 145.3 | -71 | -162.9 | -179.6 | 178.5 | 0 | 107.5 | V210 | V210-K212 PolarHBondContact O-N 2.76Š|
| 213 | D | 38.7 | Very low | 38.2 | Very low | 147 Ų | 147 | 159 Ų | 159 | 79% | 0.786 | 84% | 0.838 | S | S | * | * | | | trans | -64.2 | 151.3 | 151.4 | -67.8 | -45.5 | 0 | 0 | 0 | 108.8 | | |
| 214 | E | 39.5 | Very low | 38.4 | Very low | 173 Ų | 173 | 163.8 Ų | 163.8 | 81% | 0.808 | 85% | 0.851 | S | S | * | * | | | trans | 69 | 92 | 164.1 | -68.2 | -175.2 | 133.3 | 0 | 0 | 118 | | |
| 215 | V | 42.3 | Very low | 38.6 | Very low | 148 Ų | 148 | 165.6 Ų | 165.6 | 90% | 0.897 | 85% | 0.852 | S | S | * | * | | | | -107.6 | 120.6 | 127.9 | 178.2 | 0 | 0 | 0 | 0 | 107 | | |
| 216 | L | 41.4 | Very low | 38.7 | Very low | 137 Ų | 137 | 167.9 Ų | 167.9 | 72% | 0.717 | 86% | 0.861 | S | S | * | * | | | trans | -52 | 149.6 | -171 | -70.9 | 85.1 | 0 | 0 | 0 | 115.7 | | |
| 217 | K | 40.2 | Very low | 38.9 | Very low | 279 Ų | 279 | 168.4 Ų | 168.4 | 100% | 1.213 | 86% | 0.86 | S | S | * | * | | | trans | 49.6 | 0 | 144.5 | -81.2 | -178.3 | 173.9 | 178.2 | 0 | 118.9 | | |