| 1 | M | 43.3 | Very low | 49.6 | Very low | 225 Ų | 225 | 168.3 Ų | 168.3 | 100% | 1.108 | 84% | 0.844 | S | S | * | * | | | | 0 | 104.7 | 0 | -69.8 | 179 | -114.4 | 0 | 0 | 106.8 | | |
| 2 | A | 46.5 | Very low | 49.3 | Very low | 105 Ų | 105 | 165.4 Ų | 165.4 | 87% | 0.868 | 84% | 0.842 | S | S | * | * | | | trans | -109.1 | 119.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 107.2 | | |
| 3 | Y | 52.2 | Low | 49 | Very low | 191 Ų | 191 | 167.1 Ų | 167.1 | 75% | 0.749 | 85% | 0.845 | S | S | * | * | | | trans | -86.1 | 114.3 | 176.5 | -67.9 | -84.2 | 0 | 0 | 0 | 108.2 | | |
| 4 | S | 58.3 | Low | 49.2 | Very low | 110 Ų | 110 | 164.1 Ų | 164.1 | 77% | 0.769 | 84% | 0.842 | S | S | * | * | | | trans | -78 | 115.8 | 169 | 57.2 | 0 | 0 | 0 | 0 | 108.8 | Q6 | S4-Q6 PolarHBondContact O-N 3.36Š|
| 5 | W | 48.8 | Very low | 48.7 | Very low | 236 Ų | 236 | 164.1 Ų | 164.1 | 89% | 0.894 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 122.9 | 170 | -67.6 | 99.8 | 0 | 0 | 0 | 108.8 | T7 | W5-T7 PolarHBondContact O-N 3.4Š|
| 6 | Q | 49.7 | Very low | 48.4 | Very low | 187 Ų | 187 | 165.8 Ų | 165.8 | 87% | 0.874 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 129 | 174.9 | -68.6 | -168.6 | -14 | 0 | 0 | 109.7 | S4 | S4-Q6 PolarHBondContact O-N 3.36Š|
| 7 | T | 51 | Low | 47.9 | Very low | 136 Ų | 136 | 164.6 Ų | 164.6 | 83% | 0.834 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -77 | 121.5 | 167.5 | -41.8 | 0 | 0 | 0 | 0 | 108.1 | W5 | W5-T7 PolarHBondContact O-N 3.4Š|
| 8 | E | 52.8 | Low | 47.6 | Very low | 161 Ų | 161 | 159.9 Ų | 159.9 | 75% | 0.752 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 137.3 | 167.6 | -78.1 | -162.7 | 170.1 | 0 | 0 | 110.4 | | |
| 9 | P | 53.6 | Low | 47.1 | Very low | 120 Ų | 120 | 157.6 Ų | 157.6 | 78% | 0.779 | 84% | 0.835 | S | S | * | * | | | trans | -93.3 | 99.3 | 171 | 34.3 | -24.8 | 0 | 0 | 0 | 108.6 | | |
| 10 | N | 43.3 | Very low | 46.9 | Very low | 142 Ų | 142 | 157.9 Ų | 157.9 | 76% | 0.759 | 84% | 0.837 | S | S | * | * | | | trans | -116 | 96.6 | 157.9 | -90.2 | -48.6 | 0 | 0 | 0 | 110 | | |
| 11 | R | 45.7 | Very low | 47 | Very low | 238 Ų | 238 | 156.9 Ų | 156.9 | 90% | 0.898 | 84% | 0.837 | S | S | * | * | | | trans | -41 | 131.7 | 154 | -88 | 176.4 | 159.1 | -177.2 | -5.7 | 109.9 | | |
| 12 | T | 46.5 | Very low | 47.1 | Very low | 134 Ų | 134 | 154 Ų | 154 | 82% | 0.822 | 82% | 0.821 | S | S | * | * | | | | -160.1 | 108.5 | 114.4 | -43.4 | 0 | 0 | 0 | 0 | 107.5 | | |
| 13 | E | 46 | Very low | 46.8 | Very low | 187 Ų | 187 | 156.7 Ų | 156.7 | 87% | 0.874 | 82% | 0.816 | S | S | * | * | | | trans | -73.5 | 140.3 | 159.2 | -73.8 | 172.3 | 159.5 | 0 | 0 | 108.3 | | |
| 14 | P | 51.5 | Low | 46.6 | Very low | 125 Ų | 125 | 155 Ų | 155 | 81% | 0.812 | 81% | 0.813 | S | S | * | * | | | trans | -110.6 | 110.9 | 149.1 | 20.7 | -3.4 | 0 | 0 | 0 | 109.5 | | |
| 15 | Q | 41.4 | Very low | 45.9 | Very low | 165 Ų | 165 | 156.3 Ų | 156.3 | 77% | 0.771 | 81% | 0.806 | S | S | * | * | | | trans | -29.4 | 133.9 | 160.8 | -177.7 | 172.1 | -22.1 | 0 | 0 | 114.7 | D17 | Q15-D17 PolarHBondContact O-N 3.39Š|
| 16 | E | 43.7 | Very low | 46 | Very low | 191 Ų | 191 | 152.9 Ų | 152.9 | 89% | 0.893 | 80% | 0.8 | S | S | * | * | | | trans | -60.4 | 120.1 | 164.4 | -71 | 172.7 | 151.5 | 0 | 0 | 109.8 | | |
| 17 | D | 39.8 | Very low | 45.7 | Very low | 146 Ų | 146 | 149 Ų | 149 | 78% | 0.781 | 79% | 0.789 | S | S | * | * | | | trans | -136.5 | 122.9 | 154 | -102.8 | -27.2 | 0 | 0 | 0 | 107.7 | Q15 | Q15-D17 PolarHBondContact O-N 3.39Š|
| 18 | G | 42.2 | Very low | 45.6 | Very low | 80 Ų | 80 | 149.6 Ų | 149.6 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | | | trans | -78.3 | 137.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 19 | S | 38.2 | Very low | 45.3 | Very low | 116 Ų | 116 | 149.4 Ų | 149.4 | 81% | 0.811 | 79% | 0.786 | S | S | * | * | | | trans | -167.4 | 125 | 149.5 | 38.6 | 0 | 0 | 0 | 0 | 110.1 | T21 | S19-T21 PolarHBondContact O-N 3.08Š|
| 20 | D | 43.5 | Very low | 45.3 | Very low | 163 Ų | 163 | 151 Ų | 151 | 87% | 0.872 | 78% | 0.783 | S | S | * | * | | | trans | -47.6 | 123.7 | 169.2 | -87.1 | -45 | 0 | 0 | 0 | 112.1 | | |
| 21 | T | 48.1 | Very low | 45.6 | Very low | 137 Ų | 137 | 151.2 Ų | 151.2 | 84% | 0.84 | 78% | 0.783 | S | S | * | * | | | trans | -168 | 114.3 | 132.2 | 3.4 | 0 | 0 | 0 | 0 | 111.3 | S19 Q23 | S19-T21 PolarHBondContact O-N 3.08Å; T21-Q23 PolarHBondContact O-N 2.77Å |
| 22 | Q | 47 | Very low | 46 | Very low | 165 Ų | 165 | 145.4 Ų | 145.4 | 77% | 0.771 | 78% | 0.779 | S | S | * | * | | | trans | -14.3 | 112 | 150.7 | -170.4 | 176.4 | 18.9 | 0 | 0 | 115.5 | F24 | Q22-F24 HydrophobicContact CG-CE2 4.39Š|
| 23 | Q | 38.5 | Very low | 46.6 | Very low | 160 Ų | 160 | 141.8 Ų | 141.8 | 75% | 0.748 | 76% | 0.759 | S | S | * | * | | | trans | -151.8 | 109.6 | 145.9 | -118.6 | 175.2 | 5.6 | 0 | 0 | 110.6 | T21 H25 | T21-Q23 PolarHBondContact O-N 2.77Å; Q23-H25 PolarHBondContact O-N 3.1Å; Q23-H25 VanDerWaalsContact O-N 3.08Å |
| 24 | F | 49.4 | Very low | 47.3 | Very low | 157 Ų | 157 | 138.5 Ų | 138.5 | 69% | 0.689 | 76% | 0.757 | S | S | * | * | | | trans | -59.5 | 105.8 | 168.8 | -71.5 | -93.7 | 0 | 0 | 0 | 109.3 | Q22 | Q22-F24 HydrophobicContact CG-CE2 4.39Š|
| 25 | H | 44 | Very low | 48 | Very low | 136 Ų | 136 | 139.6 Ų | 139.6 | 63% | 0.63 | 75% | 0.752 | S | S | * | * | | | trans | -122.4 | 93.2 | 158.5 | -70.5 | -60.4 | 0 | 0 | 0 | 107.3 | Q23 T27 | Q23-H25 PolarHBondContact O-N 3.1Å; Q23-H25 VanDerWaalsContact O-N 3.08Å; H25-T27 HydrophobicContact CB-CG2 4.48Å; H25-T27 PolarHBondContact O-N 3.46Å |
| 26 | H | 49.4 | Very low | 49.2 | Very low | 165 Ų | 165 | 137.1 Ų | 137.1 | 76% | 0.764 | 75% | 0.747 | S | S | * | * | | | trans | -61.4 | 78.5 | 159.1 | -74.5 | -90.8 | 0 | 0 | 0 | 108.1 | N28 | H26-N28 PolarHBondContact O-N 2.71Å; H26-N28 VanDerWaalsContact O-N 3.1Å |
| 27 | T | 43.7 | Very low | 50.7 | Low | 106 Ų | 106 | 137.2 Ų | 137.2 | 65% | 0.65 | 74% | 0.74 | S | S | * | * | | | trans | -77.8 | 89.7 | 159.6 | 53.8 | 0 | 0 | 0 | 0 | 105.5 | H25 Q29 | H25-T27 HydrophobicContact CB-CG2 4.48Å; H25-T27 PolarHBondContact O-N 3.46Å; T27-Q29 PolarHBondContact O-N 2.74Å |
| 28 | N | 50.1 | Low | 52.6 | Low | 148 Ų | 148 | 136.6 Ų | 136.6 | 79% | 0.791 | 74% | 0.736 | S | S | * | * | | | trans | -58.8 | 77.5 | 149.6 | -74 | -49 | 0 | 0 | 0 | 106.1 | H26 H30 | H26-N28 PolarHBondContact O-N 2.71Å; H26-N28 VanDerWaalsContact O-N 3.1Å; N28-H30 PolarHBondContact O-N 2.79Å |
| 29 | Q | 45.7 | Very low | 54.4 | Low | 156 Ų | 156 | 136 Ų | 136 | 73% | 0.729 | 73% | 0.73 | S | S | * | * | | | trans | -64.4 | 85.9 | 158.1 | -85.4 | -173.9 | -1.9 | 0 | 0 | 103.9 | T27 L31 | T27-Q29 PolarHBondContact O-N 2.74Å; Q29-L31 PolarHBondContact O-N 3.43Å |
| 30 | H | 52.7 | Low | 56.7 | Low | 154 Ų | 154 | 137.5 Ų | 137.5 | 71% | 0.713 | 72% | 0.722 | S | S | * | * | | | trans | -63.8 | 87.6 | 163.5 | -167.7 | -75.7 | 0 | 0 | 0 | 104.3 | N28 S32 | N28-H30 PolarHBondContact O-N 2.79Å; H30-S32 VanDerWaalsContact C-N 3.35Å; H30-S32 PolarHBondContact O-N 2.86Å |
| 31 | L | 50.9 | Low | 58.6 | Low | 146 Ų | 146 | 132.1 Ų | 132.1 | 76% | 0.764 | 69% | 0.693 | S | S | * | * | | | trans | -43.6 | 111.1 | 165.1 | -70.8 | 167.2 | 0 | 0 | 0 | 104 | Q29 S33 | Q29-L31 PolarHBondContact O-N 3.43Å; L31-S33 PolarHBondContact O-N 2.97Å |
| 32 | S | 53.3 | Low | 60.1 | Low | 116 Ų | 116 | 132.5 Ų | 132.5 | 81% | 0.811 | 69% | 0.685 | S | S | * | * | | | trans | -63.8 | 93.3 | -177.2 | -167.7 | 0 | 0 | 0 | 0 | 105 | H30 S34 | H30-S32 VanDerWaalsContact C-N 3.35Å; H30-S32 PolarHBondContact O-N 2.86Å; S32-S34 PolarHBondContact O-N 3.22Å |
| 33 | S | 60.4 | Low | 61.9 | Low | 58 Ų | 58 | 129.1 Ų | 129.1 | 41% | 0.406 | 67% | 0.672 | S | S | . | * | | | trans | -52.7 | 129.8 | 166.5 | 53.9 | 0 | 0 | 0 | 0 | 103.8 | L31 Q35 | L31-S33 PolarHBondContact O-N 2.97Å; S33-Q35 PolarHBondContact O-N 3.23Å; S33-Q35 PolarHBondContact OG-OE1 2.93Å; S33-Q35 VanDerWaalsContact OG-OE1 3.11Å |
| 34 | S | 60.2 | Low | 64 | Low | 119 Ų | 119 | 126.1 Ų | 126.1 | 83% | 0.832 | 66% | 0.664 | S | S | * | * | | | trans | -67.1 | 62.5 | 172 | 61.7 | 0 | 0 | 0 | 0 | 108.4 | S32 V36 | S32-S34 PolarHBondContact O-N 3.22Å; S34-V36 PolarHBondContact O-N 2.68Å; S34-V36 VanDerWaalsContact O-N 3.13Å |
| 35 | Q | 66.1 | Low | 65.5 | Low | 148 Ų | 148 | 125 Ų | 125 | 69% | 0.692 | 66% | 0.661 | S | S | * | * | | | trans | -83.6 | 100.6 | -174 | -160 | 156.3 | -10.8 | 0 | 0 | 105 | S33 R37 | S33-Q35 PolarHBondContact O-N 3.23Å; S33-Q35 PolarHBondContact OG-OE1 2.93Å; S33-Q35 VanDerWaalsContact OG-OE1 3.11Å; Q35-R37 PolarHBondContact O-N 3.21Å |
| 36 | V | 67.3 | Low | 67.2 | Low | 113 Ų | 113 | 122.6 Ų | 122.6 | 69% | 0.685 | 65% | 0.65 | S | S | * | * | | | trans | -57.7 | 113.1 | 172.4 | 178.5 | 0 | 0 | 0 | 0 | 106.4 | S34 L38 | S34-V36 PolarHBondContact O-N 2.68Å; S34-V36 VanDerWaalsContact O-N 3.13Å; V36-L38 HydrophobicContact CG1-CD2 4.3Å; V36-L38 PolarHBondContact O-N 2.79Å; V36-L38 VanDerWaalsContact O-N 3.16Å |
| 37 | R | 73.3 | Confident | 68.8 | Low | 193 Ų | 193 | 119.7 Ų | 119.7 | 73% | 0.728 | 64% | 0.639 | S | S | * | * | | | trans | -63.2 | 113.8 | 176.8 | -69.4 | -169.8 | 68.1 | -172.7 | 3.7 | 108.6 | Q35 G39 D41 | Q35-R37 PolarHBondContact O-N 3.21Å; R37-G39 PolarHBondContact O-N 3.25Å; R37-D41 VanDerWaalsContact CA-OD2 3.28Å; R37-D41 WeakPolarHBondContact CA-OD2 3.48Å; R37-D41 WeakPolarHBondContact CB-OD2 3.33Å; R37-D41 WeakPolarHBondContact CG-OD2 3.37Å; R37-D41 IonicContact CZ-OD2 3.88Å; R37-D41 IonicContact NE-OD2 2.91Å; R37-D41 PolarHBondContact NE-OD2 2.81Å; R37-D41 IonicContact NH2-OD2 3.98Å |
| 38 | L | 80.7 | Confident | 70.3 | Confident | 133 Ų | 133 | 120.2 Ų | 120.2 | 70% | 0.696 | 64% | 0.638 | S | S | * | * | | | trans | -86.5 | 11.6 | -174.9 | -62.6 | -179.6 | 0 | 0 | 0 | 112.7 | V36 F40 | V36-L38 HydrophobicContact CG1-CD2 4.3Å; V36-L38 PolarHBondContact O-N 2.79Å; V36-L38 VanDerWaalsContact O-N 3.16Å; L38-F40 WeakPolarHBondContact O-CD2 3.09Å; L38-F40 PolarHBondContact O-N 2.97Å |
| 39 | G | 79.4 | Confident | 71.2 | Confident | 68 Ų | 68 | 118.4 Ų | 118.4 | 70% | 0.701 | 63% | 0.629 | S | S | * | * | S | Bend | trans | 80.4 | -7.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | R37 | R37-G39 PolarHBondContact O-N 3.25Š|
| 40 | F | 86.5 | Confident | 72.2 | Confident | 146 Ų | 146 | 117.9 Ų | 117.9 | 64% | 0.64 | 62% | 0.624 | S | S | * | * | | | trans | -104.3 | -0.4 | 177.2 | -57.9 | -76.6 | 0 | 0 | 0 | 113.6 | L38 Q42 L43 V44 | L38-F40 WeakPolarHBondContact O-CD2 3.09Å; L38-F40 PolarHBondContact O-N 2.97Å; F40-Q42 PolarHBondContact O-N 3.11Å; F40-Q42 VanDerWaalsContact O-N 3.15Å; F40-L43 WeakPolarHBondContact O-CA 3.01Å; F40-L43 WeakPolarHBondContact O-CB 3.28Å; F40-L43 PolarHBondContact O-N 3.04Å; F40-V44 PolarHBondContact O-N 2.8Å; F40-V44 VanDerWaalsContact O-N 3.1Å |
| 41 | D | 84.4 | Confident | 72.7 | Confident | 51 Ų | 51 | 114.3 Ų | 114.3 | 27% | 0.273 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -57.8 | -34.5 | -176.4 | -41.2 | -35.6 | 0 | 0 | 0 | 111.8 | R37 L43 V44 E45 | R37-D41 VanDerWaalsContact CA-OD2 3.28Å; R37-D41 WeakPolarHBondContact CA-OD2 3.48Å; R37-D41 WeakPolarHBondContact CB-OD2 3.33Å; R37-D41 WeakPolarHBondContact CG-OD2 3.37Å; R37-D41 IonicContact CZ-OD2 3.88Å; R37-D41 IonicContact NE-OD2 2.91Å; R37-D41 PolarHBondContact NE-OD2 2.81Å; R37-D41 IonicContact NH2-OD2 3.98Å; D41-L43 VanDerWaalsContact C-N 3.33Å; D41-L43 PolarHBondContact O-N 2.63Å; D41-V44 PolarHBondContact O-N 3.13Å; D41-E45 PolarHBondContact O-N 3.32Å |
| 42 | Q | 80.1 | Confident | 72.6 | Confident | 145 Ų | 145 | 112.6 Ų | 112.6 | 68% | 0.678 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -65.3 | -36 | 176.4 | -175.9 | 174.4 | 2.1 | 0 | 0 | 112.3 | F40 E45 E46 | F40-Q42 PolarHBondContact O-N 3.11Å; F40-Q42 VanDerWaalsContact O-N 3.15Å; Q42-E45 PolarHBondContact O-N 3.44Å; Q42-E46 WeakPolarHBondContact O-CB 3.08Å; Q42-E46 PolarHBondContact O-N 3.25Å |
| 43 | L | 83.9 | Confident | 72.7 | Confident | 93 Ų | 93 | 113.7 Ų | 113.7 | 49% | 0.487 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -71.2 | -36.8 | 176.1 | -177 | 65.9 | 0 | 0 | 0 | 110.9 | F40 D41 E46 I47 | F40-L43 WeakPolarHBondContact O-CA 3.01Å; F40-L43 WeakPolarHBondContact O-CB 3.28Å; F40-L43 PolarHBondContact O-N 3.04Å; D41-L43 VanDerWaalsContact C-N 3.33Å; D41-L43 PolarHBondContact O-N 2.63Å; L43-E46 PolarHBondContact O-N 3.34Å; L43-I47 HydrophobicContact CD1-CD1 4.43Å; L43-I47 HydrophobicContact CG-CD1 4.05Å; L43-I47 WeakPolarHBondContact O-CD1 3.35Å; L43-I47 VanDerWaalsContact O-CG1 3.26Å; L43-I47 WeakPolarHBondContact O-CG1 3.47Å; L43-I47 PolarHBondContact O-N 3.23Å |
| 44 | V | 83.3 | Confident | 71.9 | Confident | 98 Ų | 98 | 116.2 Ų | 116.2 | 59% | 0.594 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -63.8 | -43.7 | 174.6 | 176.8 | 0 | 0 | 0 | 0 | 110.6 | F40 D41 I47 N48 | F40-V44 PolarHBondContact O-N 2.8Å; F40-V44 VanDerWaalsContact O-N 3.1Å; D41-V44 PolarHBondContact O-N 3.13Å; V44-I47 PolarHBondContact O-N 2.73Å; V44-N48 WeakPolarHBondContact O-CB 3.39Å; V44-N48 PolarHBondContact O-N 2.91Å |
| 45 | E | 80.9 | Confident | 71.3 | Confident | 134 Ų | 134 | 118.2 Ų | 118.2 | 63% | 0.626 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -63.4 | -41 | 175 | -168.3 | 176.9 | -177.7 | 0 | 0 | 111.9 | D41 Q42 N48 N49 | D41-E45 PolarHBondContact O-N 3.32Å; Q42-E45 PolarHBondContact O-N 3.44Å; E45-N48 PolarHBondContact O-N 3.15Å; E45-N49 WeakPolarHBondContact O-CB 3.5Å; E45-N49 PolarHBondContact O-N 3.36Å; E45-N49 PolarHBondContact O-ND2 2.93Å |
| 46 | E | 79.8 | Confident | 70.3 | Confident | 85 Ų | 85 | 115.9 Ų | 115.9 | 40% | 0.397 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -66.4 | -36.4 | 175.5 | -166.3 | -173.6 | 156.5 | 0 | 0 | 112.9 | Q42 L43 N49 K50 | Q42-E46 WeakPolarHBondContact O-CB 3.08Å; Q42-E46 PolarHBondContact O-N 3.25Å; L43-E46 PolarHBondContact O-N 3.34Å; E46-N49 WeakPolarHBondContact CA-OD1 3.5Å; E46-N49 PolarHBondContact O-OD1 3.5Å; E46-K50 HydrophobicContact CG-CD 4.44Å; E46-K50 WeakPolarHBondContact O-CB 3.26Å; E46-K50 PolarHBondContact O-N 3.28Å; E46-K50 IonicContact OE1-NZ 2.94Å; E46-K50 PolarHBondContact OE1-NZ 3.46Å |
| 47 | I | 82 | Confident | 69.4 | Low | 104 Ų | 104 | 119 Ų | 119 | 53% | 0.533 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -69.7 | -44.5 | 176.7 | -68 | 162.9 | 0 | 0 | 0 | 109.7 | L43 V44 N49 K50 T51 | L43-I47 HydrophobicContact CD1-CD1 4.43Å; L43-I47 HydrophobicContact CG-CD1 4.05Å; L43-I47 WeakPolarHBondContact O-CD1 3.35Å; L43-I47 VanDerWaalsContact O-CG1 3.26Å; L43-I47 WeakPolarHBondContact O-CG1 3.47Å; L43-I47 PolarHBondContact O-N 3.23Å; V44-I47 PolarHBondContact O-N 2.73Å; I47-N49 VanDerWaalsContact C-N 3.35Å; I47-N49 PolarHBondContact O-N 2.94Å; I47-K50 PolarHBondContact O-N 3.48Å; I47-T51 PolarHBondContact O-N 3.43Å; I47-T51 VanDerWaalsContact O-N 3.08Å; I47-T51 PolarHBondContact O-OG1 3.01Å; I47-T51 VanDerWaalsContact O-OG1 3.04Å |
| 48 | N | 74.9 | Confident | 68.4 | Low | 117 Ų | 117 | 118.5 Ų | 118.5 | 63% | 0.626 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -65.2 | -37.8 | -178.4 | -167.2 | 28.9 | 0 | 0 | 0 | 112.3 | V44 E45 K50 T51 | V44-N48 WeakPolarHBondContact O-CB 3.39Å; V44-N48 PolarHBondContact O-N 2.91Å; E45-N48 PolarHBondContact O-N 3.15Å; N48-K50 VanDerWaalsContact C-N 3.29Å; N48-K50 PolarHBondContact O-N 2.93Å; N48-T51 PolarHBondContact O-OG1 3.37Å |
| 49 | N | 68.6 | Low | 67 | Low | 110 Ų | 110 | 121.3 Ų | 121.3 | 59% | 0.588 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -75.7 | -15.7 | 178.9 | 75.2 | 22 | 0 | 0 | 0 | 114 | E45 E46 I47 | E45-N49 WeakPolarHBondContact O-CB 3.5Å; E45-N49 PolarHBondContact O-N 3.36Å; E45-N49 PolarHBondContact O-ND2 2.93Å; E46-N49 WeakPolarHBondContact CA-OD1 3.5Å; E46-N49 PolarHBondContact O-OD1 3.5Å; I47-N49 VanDerWaalsContact C-N 3.35Å; I47-N49 PolarHBondContact O-N 2.94Å |
| 50 | K | 67.8 | Low | 65.4 | Low | 144 Ų | 144 | 125.8 Ų | 125.8 | 63% | 0.626 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -107.8 | -18.2 | -171.5 | -158.4 | 163.9 | -174.7 | 176.1 | 0 | 113.1 | E46 I47 N48 P52 | E46-K50 HydrophobicContact CG-CD 4.44Å; E46-K50 WeakPolarHBondContact O-CB 3.26Å; E46-K50 PolarHBondContact O-N 3.28Å; E46-K50 IonicContact OE1-NZ 2.94Å; E46-K50 PolarHBondContact OE1-NZ 3.46Å; I47-K50 PolarHBondContact O-N 3.48Å; N48-K50 VanDerWaalsContact C-N 3.29Å; N48-K50 PolarHBondContact O-N 2.93Å; K50-P52 WeakPolarHBondContact O-CD 3.2Å |
| 51 | T | 63.2 | Low | 63.6 | Low | 79 Ų | 79 | 126.9 Ų | 126.9 | 49% | 0.485 | 66% | 0.656 | S | S | . | * | S | Bend | trans | -68.2 | 116.6 | 155 | 31 | 0 | 0 | 0 | 0 | 108.1 | I47 N48 L53 | I47-T51 PolarHBondContact O-N 3.43Å; I47-T51 VanDerWaalsContact O-N 3.08Å; I47-T51 PolarHBondContact O-OG1 3.01Å; I47-T51 VanDerWaalsContact O-OG1 3.04Å; N48-T51 PolarHBondContact O-OG1 3.37Å; T51-L53 PolarHBondContact O-N 3.16Å |
| 52 | P | 48.2 | Very low | 61.7 | Low | 111 Ų | 111 | 128.1 Ų | 128.1 | 72% | 0.721 | 67% | 0.665 | S | S | * | * | | | trans | -57 | 117.8 | 166.3 | 24.8 | -30.2 | 0 | 0 | 0 | 106.2 | K50 S54 | K50-P52 WeakPolarHBondContact O-CD 3.2Å; P52-S54 PolarHBondContact O-N 3.04Å |
| 53 | L | 55.8 | Low | 60.4 | Low | 139 Ų | 139 | 131.9 Ų | 131.9 | 73% | 0.728 | 68% | 0.675 | S | S | * | * | | | trans | -57.4 | 95.9 | 168.6 | -170.3 | 74.2 | 0 | 0 | 0 | 105.4 | T51 E55 | T51-L53 PolarHBondContact O-N 3.16Å; L53-E55 HydrophobicContact CD2-CG 3.89Å; L53-E55 HydrophobicContact CG-CG 4.12Å; L53-E55 PolarHBondContact O-N 3.34Å |
| 54 | S | 44.3 | Very low | 58.4 | Low | 111 Ų | 111 | 136.6 Ų | 136.6 | 78% | 0.776 | 69% | 0.691 | S | S | * | * | | | trans | -65.8 | 88.1 | 164.8 | -71.9 | 0 | 0 | 0 | 0 | 105.4 | P52 S56 | P52-S54 PolarHBondContact O-N 3.04Å; S54-S56 PolarHBondContact O-N 3.08Å |
| 55 | E | 46.3 | Very low | 56.6 | Low | 161 Ų | 161 | 137.6 Ų | 137.6 | 75% | 0.752 | 70% | 0.698 | S | S | * | * | | | trans | -60.9 | 84.1 | 163.1 | -69.5 | -178 | 169.3 | 0 | 0 | 107 | L53 E57 | L53-E55 HydrophobicContact CD2-CG 3.89Å; L53-E55 HydrophobicContact CG-CG 4.12Å; L53-E55 PolarHBondContact O-N 3.34Å; E55-E57 PolarHBondContact O-N 2.94Å |
| 56 | S | 44.9 | Very low | 54.9 | Low | 99 Ų | 99 | 137.4 Ų | 137.4 | 69% | 0.692 | 71% | 0.708 | S | S | * | * | | | trans | -82.4 | 77.4 | 152.5 | 69.8 | 0 | 0 | 0 | 0 | 106.7 | S54 K58 | S54-S56 PolarHBondContact O-N 3.08Å; S56-K58 VanDerWaalsContact C-N 3.29Å; S56-K58 PolarHBondContact O-N 3.24Å |
| 57 | E | 50 | Low | 53.2 | Low | 177 Ų | 177 | 140.9 Ų | 140.9 | 83% | 0.827 | 73% | 0.729 | S | S | * | * | | | trans | -55.7 | 98.5 | 156.1 | -176.8 | -178.7 | -158.4 | 0 | 0 | 107.3 | E55 | E55-E57 PolarHBondContact O-N 2.94Š|
| 58 | K | 52.3 | Low | 51.6 | Low | 183 Ų | 183 | 139.8 Ų | 139.8 | 80% | 0.796 | 74% | 0.736 | S | S | * | * | | | trans | -145.3 | 79.3 | 160 | -53.9 | -171.5 | -164.6 | -167.9 | 0 | 107.4 | S56 E60 | S56-K58 VanDerWaalsContact C-N 3.29Å; S56-K58 PolarHBondContact O-N 3.24Å; K58-E60 PolarHBondContact O-N 3.1Å |
| 59 | E | 49.8 | Very low | 50.3 | Low | 192 Ų | 192 | 140.1 Ų | 140.1 | 90% | 0.897 | 74% | 0.744 | S | S | * | * | | | trans | -54.1 | 107.6 | 146 | 179.6 | 172.6 | -162.2 | 0 | 0 | 107.6 | | |
| 60 | E | 45.8 | Very low | 49.2 | Very low | 163 Ų | 163 | 142.9 Ų | 142.9 | 76% | 0.762 | 76% | 0.759 | S | S | * | * | | | trans | -162.9 | 99.5 | 143.6 | -129.6 | 170.8 | -179.2 | 0 | 0 | 109 | K58 T62 | K58-E60 PolarHBondContact O-N 3.1Å; E60-T62 PolarHBondContact O-N 2.92Å |
| 61 | D | 50.1 | Low | 48.5 | Very low | 169 Ų | 169 | 144.7 Ų | 144.7 | 90% | 0.904 | 78% | 0.775 | S | S | * | * | | | trans | -53.3 | 94.4 | 147.3 | -98.1 | -33 | 0 | 0 | 0 | 107.6 | | |
| 62 | T | 43.1 | Very low | 47.7 | Very low | 77 Ų | 77 | 143.8 Ų | 143.8 | 47% | 0.472 | 78% | 0.781 | S | S | . | * | | | trans | -149.5 | 111.1 | 158.1 | -60.2 | 0 | 0 | 0 | 0 | 109.8 | E60 F64 | E60-T62 PolarHBondContact O-N 2.92Å; T62-F64 HydrophobicContact CG2-CD2 3.9Å; T62-F64 HydrophobicContact CG2-CE2 3.54Å; T62-F64 PolarHBondContact O-N 2.91Å |
| 63 | Y | 52.6 | Low | 47.6 | Very low | 224 Ų | 224 | 144 Ų | 144 | 88% | 0.878 | 79% | 0.785 | S | S | * | * | | | trans | -33.5 | 115.7 | 163.2 | -60.4 | -94.4 | 0 | 0 | 0 | 113 | | |
| 64 | F | 43.2 | Very low | 47 | Very low | 191 Ų | 191 | 146.7 Ų | 146.7 | 84% | 0.838 | 79% | 0.791 | S | S | * | * | | | trans | -138.6 | 123.2 | 161.2 | -86.7 | -78.7 | 0 | 0 | 0 | 112.6 | T62 | T62-F64 HydrophobicContact CG2-CD2 3.9Å; T62-F64 HydrophobicContact CG2-CE2 3.54Å; T62-F64 PolarHBondContact O-N 2.91Å |
| 65 | V | 44.8 | Very low | 47.1 | Very low | 120 Ų | 120 | 153.3 Ų | 153.3 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | | | trans | -60.2 | 142.8 | 177.2 | 173.9 | 0 | 0 | 0 | 0 | 111.1 | D67 | V65-D67 PolarHBondContact O-N 3.28Š|
| 66 | P | 46 | Very low | 47.2 | Very low | 130 Ų | 130 | 151 Ų | 151 | 84% | 0.844 | 80% | 0.798 | S | S | * | * | | | trans | -83.5 | 97.6 | 174.6 | 32.6 | -29.1 | 0 | 0 | 0 | 109.7 | | |
| 67 | D | 42.8 | Very low | 47.5 | Very low | 157 Ų | 157 | 151.2 Ų | 151.2 | 84% | 0.84 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -86.3 | 134.9 | 166.8 | -106.1 | -17.5 | 0 | 0 | 0 | 111 | V65 | V65-D67 PolarHBondContact O-N 3.28Š|
| 68 | A | 49.3 | Very low | 47.7 | Very low | 81 Ų | 81 | 150.9 Ų | 150.9 | 67% | 0.669 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 152.2 | -166.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | N70 | A68-N70 PolarHBondContact O-N 3.16Š|
| 69 | P | 47.5 | Very low | 47.4 | Very low | 124 Ų | 124 | 152.5 Ų | 152.5 | 81% | 0.805 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 116.7 | 176.2 | 28.7 | -31.7 | 0 | 0 | 0 | 111.2 | L71 | P69-L71 PolarHBondContact O-N 3.08Å; P69-L71 VanDerWaalsContact O-N 3.08Å |
| 70 | N | 45.3 | Very low | 47 | Very low | 169 Ų | 169 | 151.7 Ų | 151.7 | 90% | 0.904 | 80% | 0.8 | S | S | * | * | | | trans | -58.5 | 105.5 | 170.2 | -107 | -63.9 | 0 | 0 | 0 | 110.7 | A68 G72 | A68-N70 PolarHBondContact O-N 3.16Å; N70-G72 PolarHBondContact O-N 3.14Å; N70-G72 VanDerWaalsContact O-N 3.14Å |
| 71 | L | 52.4 | Low | 47 | Very low | 181 Ų | 181 | 149.4 Ų | 149.4 | 95% | 0.948 | 80% | 0.798 | S | S | * | * | | | trans | -79.6 | 88.4 | 174.7 | -155.3 | 87.4 | 0 | 0 | 0 | 109.2 | P69 | P69-L71 PolarHBondContact O-N 3.08Å; P69-L71 VanDerWaalsContact O-N 3.08Å |
| 72 | G | 46.3 | Very low | 46.9 | Very low | 61 Ų | 61 | 149.2 Ų | 149.2 | 63% | 0.629 | 79% | 0.791 | S | S | * | * | | | trans | -141.2 | 101.4 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114 | N70 | N70-G72 PolarHBondContact O-N 3.14Å; N70-G72 VanDerWaalsContact O-N 3.14Å |
| 73 | S | 46.9 | Very low | 47.2 | Very low | 114 Ų | 114 | 151.1 Ų | 151.1 | 80% | 0.797 | 81% | 0.805 | S | S | * | * | | | trans | 94.3 | 106.6 | 152.1 | 78.2 | 0 | 0 | 0 | 0 | 120.7 | | |
| 74 | K | 43.8 | Very low | 46.6 | Very low | 197 Ų | 197 | 151.7 Ų | 151.7 | 86% | 0.857 | 81% | 0.805 | S | S | * | * | | | trans | 70 | 90.6 | 135.6 | -62.3 | -178.2 | -179.8 | -175.9 | 0 | 119 | | |
| 75 | W | 47 | Very low | 46.8 | Very low | 250 Ų | 250 | 152.3 Ų | 152.3 | 95% | 0.947 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 141 | 155.5 | -70.9 | 87.8 | 0 | 0 | 0 | 111.5 | | |
| 76 | P | 47.6 | Very low | 47.2 | Very low | 113 Ų | 113 | 156.5 Ų | 156.5 | 73% | 0.734 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -100.1 | 123.9 | 144.8 | 16.8 | -0.5 | 0 | 0 | 0 | 110.6 | | |
| 77 | S | 52 | Low | 47.2 | Very low | 102 Ų | 102 | 153.2 Ų | 153.2 | 71% | 0.713 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 138.9 | 171.5 | 172.9 | 0 | 0 | 0 | 0 | 113.4 | Y79 | S77-Y79 PolarHBondContact OG-N 3.45Š|
| 78 | I | 52.3 | Low | 47.6 | Very low | 170 Ų | 170 | 154.7 Ų | 154.7 | 87% | 0.872 | 79% | 0.794 | S | S | * | * | | | trans | -128.7 | 67.9 | 160.7 | -35.9 | 172.1 | 0 | 0 | 0 | 108.2 | | |
| 79 | Y | 47.9 | Very low | 47.5 | Very low | 217 Ų | 217 | 159.1 Ų | 159.1 | 85% | 0.851 | 80% | 0.799 | S | S | * | * | | | trans | -113.6 | 110.8 | 157.8 | -94.6 | -79.1 | 0 | 0 | 0 | 108.9 | S77 | S77-Y79 PolarHBondContact OG-N 3.45Š|
| 80 | E | 41.2 | Very low | 47.6 | Very low | 175 Ų | 175 | 159.4 Ų | 159.4 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | | | trans | -170.4 | 118.8 | 138.2 | -111.4 | 177.2 | 153.8 | 0 | 0 | 105.4 | | |
| 81 | T | 45.9 | Very low | 47.5 | Very low | 115 Ų | 115 | 156.4 Ų | 156.4 | 71% | 0.706 | 79% | 0.791 | S | S | * | * | S | Bend | | -157.7 | 117.3 | 76.2 | -60.4 | 0 | 0 | 0 | 0 | 111.6 | | |
| 82 | H | 46.8 | Very low | 47.1 | Very low | 165 Ų | 165 | 156.1 Ų | 156.1 | 76% | 0.764 | 79% | 0.785 | S | S | * | * | | | trans | 76.8 | 145.9 | 151.6 | -62.2 | -30.9 | 0 | 0 | 0 | 122.8 | | |
| 83 | P | 49.8 | Very low | 47.4 | Very low | 117 Ų | 117 | 158.9 Ų | 158.9 | 76% | 0.76 | 79% | 0.794 | S | S | * | * | | | trans | -100.9 | 133.6 | -146.2 | 36 | -26.9 | 0 | 0 | 0 | 111.7 | | |
| 84 | R | 40.5 | Very low | 47.5 | Very low | 237 Ų | 237 | 158.9 Ų | 158.9 | 89% | 0.894 | 79% | 0.792 | S | S | * | * | | | trans | -100.8 | 92.7 | 161.3 | -163.9 | 171.6 | -73.6 | 171.8 | -1.6 | 108.5 | F86 | R84-F86 PolarHBondContact O-N 3Š|
| 85 | Y | 46.3 | Very low | 47.4 | Very low | 204 Ų | 204 | 156.5 Ų | 156.5 | 80% | 0.8 | 79% | 0.788 | S | S | * | * | | | trans | -28.3 | 111.1 | 165.9 | -147.1 | -101.7 | 0 | 0 | 0 | 112.1 | S87 | Y85-S87 PolarHBondContact O-N 3.33Š|
| 86 | F | 53.7 | Low | 47.7 | Very low | 207 Ų | 207 | 150.4 Ų | 150.4 | 91% | 0.908 | 78% | 0.784 | S | S | * | * | | | trans | -77.8 | 98.1 | 161.8 | -77.8 | -83.6 | 0 | 0 | 0 | 106.6 | R84 E88 | R84-F86 PolarHBondContact O-N 3Å; F86-E88 PolarHBondContact O-N 3.39Å |
| 87 | S | 44.9 | Very low | 47.8 | Very low | 62 Ų | 62 | 150.4 Ų | 150.4 | 43% | 0.434 | 79% | 0.786 | S | S | . | * | | | trans | -89 | 98.5 | 166.9 | 65.1 | 0 | 0 | 0 | 0 | 109.3 | Y85 F89 | Y85-S87 PolarHBondContact O-N 3.33Å; S87-F89 PolarHBondContact O-N 3Å; S87-F89 VanDerWaalsContact O-N 3.1Å; S87-F89 WeakPolarHBondContact OG-CD2 3.47Å; S87-F89 WeakPolarHBondContact OG-CE2 3.31Å |
| 88 | E | 52.7 | Low | 47.7 | Very low | 187 Ų | 187 | 154.3 Ų | 154.3 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | | | trans | -59.1 | 102 | 151.3 | -68.3 | 172.4 | 176.1 | 0 | 0 | 107.6 | F86 | F86-E88 PolarHBondContact O-N 3.39Š|
| 89 | F | 46.9 | Very low | 47.8 | Very low | 175 Ų | 175 | 152.3 Ų | 152.3 | 77% | 0.768 | 78% | 0.784 | S | S | * | * | | | trans | -109.6 | 91 | 168.1 | -79.8 | -64.5 | 0 | 0 | 0 | 109.2 | S87 | S87-F89 PolarHBondContact O-N 3Å; S87-F89 VanDerWaalsContact O-N 3.1Å; S87-F89 WeakPolarHBondContact OG-CD2 3.47Å; S87-F89 WeakPolarHBondContact OG-CE2 3.31Å |
| 90 | T | 49.2 | Very low | 47.9 | Very low | 130 Ų | 130 | 153.1 Ų | 153.1 | 80% | 0.798 | 79% | 0.785 | S | S | * | * | | | trans | -61.8 | 146.1 | 141.3 | 32.6 | 0 | 0 | 0 | 0 | 109.9 | | |
| 91 | S | 43.7 | Very low | 48.4 | Very low | 106 Ų | 106 | 153.6 Ų | 153.6 | 74% | 0.741 | 79% | 0.785 | S | S | * | * | | | trans | 106.2 | 121.7 | 158.2 | 114 | 0 | 0 | 0 | 0 | 117.8 | | |
| 92 | Q | 42.9 | Very low | 48.5 | Very low | 175 Ų | 175 | 151.3 Ų | 151.3 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | | | trans | 70.5 | 113.5 | 148.5 | -68.3 | -172.5 | -7.1 | 0 | 0 | 118.7 | P94 | Q92-P94 WeakPolarHBondContact O-CD 3.38Š|
| 93 | S | 53 | Low | 49 | Very low | 119 Ų | 119 | 153 Ų | 153 | 83% | 0.832 | 79% | 0.789 | S | S | * | * | | | trans | -52.6 | 134.7 | 151.6 | 51.4 | 0 | 0 | 0 | 0 | 111.3 | | |
| 94 | P | 48.6 | Very low | 49.2 | Very low | 114 Ų | 114 | 155.6 Ų | 155.6 | 74% | 0.74 | 80% | 0.796 | S | S | * | * | | | trans | -115.4 | 132.7 | 145 | 27.5 | -11.3 | 0 | 0 | 0 | 109.8 | Q92 | Q92-P94 WeakPolarHBondContact O-CD 3.38Š|
| 95 | D | 43.1 | Very low | 49.8 | Very low | 147 Ų | 147 | 150.3 Ų | 150.3 | 79% | 0.786 | 80% | 0.796 | S | S | * | * | | | trans | -3.1 | 132.7 | 161 | -65.3 | -47.9 | 0 | 0 | 0 | 118.6 | S97 | D95-S97 PolarHBondContact O-N 2.78Š|
| 96 | S | 53 | Low | 50.5 | Low | 121 Ų | 121 | 144.4 Ų | 144.4 | 85% | 0.846 | 79% | 0.789 | S | S | * | * | | | trans | -16 | 107.1 | 159.8 | 52.5 | 0 | 0 | 0 | 0 | 115.4 | | |
| 97 | S | 48.4 | Very low | 50.8 | Low | 113 Ų | 113 | 142.4 Ų | 142.4 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | | | trans | -128.2 | 103.9 | 152.7 | 56.5 | 0 | 0 | 0 | 0 | 109.5 | D95 L99 | D95-S97 PolarHBondContact O-N 2.78Å; S97-L99 PolarHBondContact O-N 3.47Å |
| 98 | Q | 51.2 | Low | 51.5 | Low | 184 Ų | 184 | 143.2 Ų | 143.2 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | | | trans | -23.9 | 109.7 | 167.5 | -167.8 | 170.8 | 13.7 | 0 | 0 | 113.6 | R100 | Q98-R100 PolarHBondContact O-N 3.18Š|
| 99 | L | 53.3 | Low | 52 | Low | 129 Ų | 129 | 143.5 Ų | 143.5 | 68% | 0.675 | 80% | 0.803 | S | S | * | * | | | trans | -60 | 102.9 | 170.8 | -156.6 | 87.4 | 0 | 0 | 0 | 108.1 | S97 F101 | S97-L99 PolarHBondContact O-N 3.47Å; L99-F101 VanDerWaalsContact C-N 3.35Å; L99-F101 HydrophobicContact CB-CE2 4.27Å; L99-F101 HydrophobicContact CD2-CD1 4.15Å; L99-F101 HydrophobicContact CD2-CD2 4.25Å; L99-F101 HydrophobicContact CD2-CE1 3.63Å; L99-F101 HydrophobicContact CD2-CE2 3.75Å; L99-F101 HydrophobicContact CD2-CG 4.45Å; L99-F101 HydrophobicContact CD2-CZ 3.42Å; L99-F101 VanDerWaalsContact CD2-CZ 3.42Å; L99-F101 WeakPolarHBondContact O-CD2 3.33Å; L99-F101 PolarHBondContact O-N 3.28Å |
| 100 | R | 50 | Low | 52.8 | Low | 234 Ų | 234 | 140.8 Ų | 140.8 | 88% | 0.883 | 80% | 0.796 | S | S | * | * | | | trans | -69.6 | 96.7 | 170.4 | -64.1 | -160.3 | -161.9 | -166.8 | 7.7 | 107.4 | Q98 G102 | Q98-R100 PolarHBondContact O-N 3.18Å; R100-G102 PolarHBondContact O-N 3.47Å |
| 101 | F | 51.7 | Low | 53.2 | Low | 184 Ų | 184 | 139.6 Ų | 139.6 | 81% | 0.807 | 79% | 0.791 | S | S | * | * | | | trans | -64 | 87.4 | 169.8 | -74.8 | -83.6 | 0 | 0 | 0 | 109.6 | L99 K103 | L99-F101 VanDerWaalsContact C-N 3.35Å; L99-F101 HydrophobicContact CB-CE2 4.27Å; L99-F101 HydrophobicContact CD2-CD1 4.15Å; L99-F101 HydrophobicContact CD2-CD2 4.25Å; L99-F101 HydrophobicContact CD2-CE1 3.63Å; L99-F101 HydrophobicContact CD2-CE2 3.75Å; L99-F101 HydrophobicContact CD2-CG 4.45Å; L99-F101 HydrophobicContact CD2-CZ 3.42Å; L99-F101 VanDerWaalsContact CD2-CZ 3.42Å; L99-F101 WeakPolarHBondContact O-CD2 3.33Å; L99-F101 PolarHBondContact O-N 3.28Å; F101-K103 PolarHBondContact O-N 3.22Å |
| 102 | G | 49.5 | Very low | 54.1 | Low | 67 Ų | 67 | 138.6 Ų | 138.6 | 69% | 0.691 | 79% | 0.788 | S | S | * | * | | | trans | -74.2 | 104.3 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | R100 L104 | R100-G102 PolarHBondContact O-N 3.47Å; G102-L104 PolarHBondContact O-N 3.26Å |
| 103 | K | 56.5 | Low | 55 | Low | 201 Ų | 201 | 135.9 Ų | 135.9 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | | | trans | 48.1 | 69.5 | 143 | -155.5 | 173.4 | -174.7 | 178.6 | 0 | 116.7 | F101 | F101-K103 PolarHBondContact O-N 3.22Š|
| 104 | L | 54.5 | Low | 55.7 | Low | 172 Ų | 172 | 136.9 Ų | 136.9 | 90% | 0.901 | 78% | 0.779 | S | S | * | * | | | trans | -122.5 | 87.4 | 146.4 | -78.6 | 167.6 | 0 | 0 | 0 | 107.6 | G102 A106 | G102-L104 PolarHBondContact O-N 3.26Å; L104-A106 PolarHBondContact O-N 3.44Å |
| 105 | S | 53.1 | Low | 56.2 | Low | 126 Ų | 126 | 137.1 Ų | 137.1 | 88% | 0.881 | 78% | 0.781 | S | S | * | * | | | trans | -75.9 | 83.2 | 167.7 | -157.1 | 0 | 0 | 0 | 0 | 107 | | |
| 106 | A | 60.3 | Low | 57 | Low | 80 Ų | 80 | 136.3 Ų | 136.3 | 66% | 0.661 | 78% | 0.781 | S | S | * | * | | | trans | -79.6 | 121.2 | 162.3 | 0 | 0 | 0 | 0 | 0 | 106.9 | L104 G108 | L104-A106 PolarHBondContact O-N 3.44Å; A106-G108 PolarHBondContact O-N 3.49Å |
| 107 | I | 60.3 | Low | 57.2 | Low | 165 Ų | 165 | 138.5 Ų | 138.5 | 85% | 0.846 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -14.1 | 116.5 | 175.2 | -71.1 | 157 | 0 | 0 | 0 | 114.6 | F109 | I107-F109 PolarHBondContact O-N 3.1Š|
| 108 | G | 58.9 | Low | 57.3 | Low | 78 Ų | 78 | 141 Ų | 141 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 90.9 | -4.4 | 148.1 | 0 | 0 | 0 | 0 | 0 | 119.1 | A106 | A106-G108 PolarHBondContact O-N 3.49Š|
| 109 | F | 64.2 | Low | 57.5 | Low | 194 Ų | 194 | 139.4 Ų | 139.4 | 85% | 0.851 | 77% | 0.773 | S | S | * | * | | | trans | -101.1 | 111.2 | 176 | -81.4 | -87.7 | 0 | 0 | 0 | 111.9 | I107 P111 | I107-F109 PolarHBondContact O-N 3.1Å; F109-P111 VanDerWaalsContact O-CD 3.31Å; F109-P111 WeakPolarHBondContact O-CD 3.21Å |
| 110 | N | 63.2 | Low | 57.5 | Low | 117 Ų | 117 | 140.2 Ų | 140.2 | 63% | 0.626 | 78% | 0.777 | S | S | * | * | | | trans | -85.9 | 109.6 | 171.3 | -163.4 | -11.5 | 0 | 0 | 0 | 108.6 | A112 | N110-A112 PolarHBondContact O-N 3.03Å; N110-A112 VanDerWaalsContact O-N 3.11Å; N110-A112 WeakPolarHBondContact OD1-CB 3.49Å |
| 111 | P | 58.6 | Low | 57.5 | Low | 106 Ų | 106 | 136.6 Ų | 136.6 | 69% | 0.688 | 77% | 0.77 | S | S | * | * | G | 310 helix | trans | -70 | -5.6 | -177.3 | 28.6 | -34.6 | 0 | 0 | 0 | 113.3 | F109 V113 | F109-P111 VanDerWaalsContact O-CD 3.31Å; F109-P111 WeakPolarHBondContact O-CD 3.21Å; P111-V113 PolarHBondContact O-N 3.4Å |
| 112 | A | 62.3 | Low | 57.7 | Low | 84 Ų | 84 | 136.6 Ų | 136.6 | 69% | 0.694 | 77% | 0.772 | S | S | * | * | G | 310 helix | trans | -75 | -0.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | N110 | N110-A112 PolarHBondContact O-N 3.03Å; N110-A112 VanDerWaalsContact O-N 3.11Å; N110-A112 WeakPolarHBondContact OD1-CB 3.49Å |
| 113 | V | 61.3 | Low | 57.9 | Low | 118 Ų | 118 | 136.7 Ų | 136.7 | 72% | 0.715 | 77% | 0.773 | S | S | * | * | G | 310 helix | trans | -127 | 28.3 | -177.3 | -155.5 | 0 | 0 | 0 | 0 | 112.3 | P111 P115 | P111-V113 PolarHBondContact O-N 3.4Å; V113-P115 WeakPolarHBondContact O-CD 3.45Å |
| 114 | L | 67.1 | Low | 57.6 | Low | 140 Ų | 140 | 131.2 Ų | 131.2 | 73% | 0.733 | 77% | 0.765 | S | S | * | * | | | trans | -78.5 | 120.2 | 165.4 | -69.3 | 174 | 0 | 0 | 0 | 108.2 | T116 | L114-T116 PolarHBondContact O-N 3.11Š|
| 115 | P | 59 | Low | 57.5 | Low | 120 Ų | 120 | 127.5 Ų | 127.5 | 78% | 0.779 | 75% | 0.753 | S | S | * | * | | | trans | -59.8 | 125.4 | 168.2 | 22.3 | -27.7 | 0 | 0 | 0 | 107.9 | V113 H117 | V113-P115 WeakPolarHBondContact O-CD 3.45Å; P115-H117 PolarHBondContact O-N 2.98Å |
| 116 | T | 61.1 | Low | 57.2 | Low | 129 Ų | 129 | 133.6 Ų | 133.6 | 79% | 0.791 | 76% | 0.757 | S | S | * | * | | | trans | -52 | 112.3 | 176 | -51.1 | 0 | 0 | 0 | 0 | 108.4 | L114 Q118 | L114-T116 PolarHBondContact O-N 3.11Å; T116-Q118 VanDerWaalsContact C-N 3.33Å; T116-Q118 PolarHBondContact O-N 3Å |
| 117 | H | 56.9 | Low | 56.7 | Low | 167 Ų | 167 | 140.2 Ų | 140.2 | 77% | 0.773 | 77% | 0.765 | S | S | * | * | | | trans | -62.7 | 100 | 170.9 | -172.2 | -87 | 0 | 0 | 0 | 106.6 | P115 L119 | P115-H117 PolarHBondContact O-N 2.98Å; H117-L119 PolarHBondContact O-N 2.81Å |
| 118 | Q | 51 | Low | 56.2 | Low | 165 Ų | 165 | 139.4 Ų | 139.4 | 77% | 0.771 | 76% | 0.763 | S | S | * | * | | | trans | -60.9 | 109.4 | 169 | -72.4 | -176.1 | 19 | 0 | 0 | 105.7 | T116 I120 | T116-Q118 VanDerWaalsContact C-N 3.33Å; T116-Q118 PolarHBondContact O-N 3Å; Q118-I120 PolarHBondContact O-N 3.04Å |
| 119 | L | 55.7 | Low | 56.2 | Low | 151 Ų | 151 | 141.7 Ų | 141.7 | 79% | 0.791 | 76% | 0.763 | S | S | * | * | | | trans | -61.1 | 93.2 | 170 | -164.3 | 125.9 | 0 | 0 | 0 | 105.6 | H117 H121 | H117-L119 PolarHBondContact O-N 2.81Å; L119-H121 PolarHBondContact O-N 3.05Å |
| 120 | I | 52.6 | Low | 55.5 | Low | 146 Ų | 146 | 138.2 Ų | 138.2 | 75% | 0.749 | 76% | 0.763 | S | S | * | * | | | trans | -60.5 | 108.2 | 172.8 | -62.4 | 175.3 | 0 | 0 | 0 | 104.3 | Q118 E122 | Q118-I120 PolarHBondContact O-N 3.04Å; I120-E122 PolarHBondContact O-N 3.45Å |
| 121 | H | 50.6 | Low | 55 | Low | 159 Ų | 159 | 135.5 Ų | 135.5 | 74% | 0.736 | 76% | 0.763 | S | S | * | * | | | trans | -50.9 | 118.5 | 176.3 | -173.4 | -68 | 0 | 0 | 0 | 107.8 | L119 G123 | L119-H121 PolarHBondContact O-N 3.05Å; H121-G123 PolarHBondContact O-N 3.26Å |
| 122 | E | 55.4 | Low | 54.5 | Low | 184 Ų | 184 | 140.3 Ų | 140.3 | 86% | 0.86 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -55.1 | 113.9 | 177.4 | -154.9 | 167.9 | -164.4 | 0 | 0 | 107.6 | I120 | I120-E122 PolarHBondContact O-N 3.45Š|
| 123 | G | 52.9 | Low | 54.1 | Low | 69 Ų | 69 | 147.4 Ų | 147.4 | 71% | 0.711 | 78% | 0.783 | S | S | * | * | | | trans | 173.4 | -17.5 | -167.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | H121 S125 | H121-G123 PolarHBondContact O-N 3.26Å; G123-S125 VanDerWaalsContact C-N 3.35Å; G123-S125 PolarHBondContact O-N 3.28Å |
| 124 | A | 50.1 | Low | 53.6 | Low | 86 Ų | 86 | 151 Ų | 151 | 71% | 0.711 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -79.8 | 85 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | W126 | A124-W126 PolarHBondContact O-N 3.2Š|
| 125 | S | 53.1 | Low | 52.6 | Low | 93 Ų | 93 | 147.8 Ų | 147.8 | 65% | 0.65 | 79% | 0.793 | S | S | * | * | | | trans | -10.5 | 119.3 | 157.1 | -179.8 | 0 | 0 | 0 | 0 | 115.6 | G123 R127 | G123-S125 VanDerWaalsContact C-N 3.35Å; G123-S125 PolarHBondContact O-N 3.28Å; S125-R127 PolarHBondContact O-N 2.95Å |
| 126 | W | 46.5 | Very low | 52.2 | Low | 255 Ų | 255 | 149.3 Ų | 149.3 | 97% | 0.966 | 79% | 0.793 | S | S | * | * | | | trans | -66.7 | 56.1 | 168.3 | -71.2 | 89.2 | 0 | 0 | 0 | 112.5 | A124 | A124-W126 PolarHBondContact O-N 3.2Š|
| 127 | R | 49.6 | Very low | 51.8 | Low | 219 Ų | 219 | 152 Ų | 152 | 83% | 0.826 | 80% | 0.796 | S | S | * | * | | | trans | -96.6 | 119.5 | 175.6 | -127.2 | 179 | -173.4 | -118.1 | 2.3 | 109.8 | S125 | S125-R127 PolarHBondContact O-N 2.95Š|
| 128 | N | 50.9 | Low | 51.6 | Low | 148 Ų | 148 | 153.7 Ų | 153.7 | 79% | 0.791 | 80% | 0.797 | S | S | * | * | | | trans | -46.8 | 135.4 | 174.7 | -62.8 | -38 | 0 | 0 | 0 | 111.4 | S130 | N128-S130 PolarHBondContact O-N 2.87Š|
| 129 | P | 57.3 | Low | 51.9 | Low | 125 Ų | 125 | 151.7 Ų | 151.7 | 81% | 0.812 | 80% | 0.798 | S | S | * | * | | | trans | -71.2 | 103.2 | 174.7 | 28 | -30.2 | 0 | 0 | 0 | 108.5 | G131 | P129-G131 PolarHBondContact O-N 2.81Š|
| 130 | S | 50.6 | Low | 51.5 | Low | 121 Ų | 121 | 154.9 Ų | 154.9 | 85% | 0.846 | 80% | 0.8 | S | S | * | * | | | trans | -67.9 | 100.7 | 166.2 | 53.7 | 0 | 0 | 0 | 0 | 107.6 | N128 | N128-S130 PolarHBondContact O-N 2.87Š|
| 131 | G | 51.7 | Low | 51.2 | Low | 61 Ų | 61 | 157.7 Ų | 157.7 | 63% | 0.629 | 81% | 0.807 | S | S | * | * | | | trans | -59.3 | 146.8 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | P129 | P129-G131 PolarHBondContact O-N 2.81Š|
| 132 | K | 49.5 | Very low | 51 | Low | 206 Ų | 206 | 158 Ų | 158 | 90% | 0.896 | 82% | 0.815 | S | S | * | * | | | trans | -137.9 | 114 | 138.5 | -70 | -148.7 | 174.2 | -162.2 | 0 | 108 | H134 | K132-H134 PolarHBondContact O-N 3.37Š|
| 133 | Y | 53.2 | Low | 50.5 | Low | 233 Ų | 233 | 153.7 Ų | 153.7 | 91% | 0.914 | 81% | 0.81 | S | S | * | * | | | trans | -67 | 115.6 | 169.5 | -80.7 | -93.3 | 0 | 0 | 0 | 109 | | |
| 134 | H | 50.9 | Low | 50.3 | Low | 194 Ų | 194 | 158.4 Ų | 158.4 | 90% | 0.898 | 82% | 0.818 | S | S | * | * | | | trans | -151.3 | 128.6 | 155.6 | -138.1 | 56 | 0 | 0 | 0 | 109.5 | K132 | K132-H134 PolarHBondContact O-N 3.37Š|
| 135 | G | 45.3 | Very low | 50.5 | Low | 72 Ų | 72 | 159.8 Ų | 159.8 | 74% | 0.742 | 82% | 0.82 | S | S | * | * | | | trans | 93.5 | 93.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | E137 | G135-E137 PolarHBondContact O-N 2.94Š|
| 136 | I | 52.5 | Low | 50.4 | Low | 152 Ų | 152 | 160.8 Ų | 160.8 | 78% | 0.779 | 82% | 0.824 | S | S | * | * | | | trans | -67.5 | 115.2 | 152.9 | -65.4 | 166.4 | 0 | 0 | 0 | 106 | Y138 | I136-Y138 HydrophobicContact CG2-CE2 4.42Š|
| 137 | E | 51.6 | Low | 50.2 | Low | 186 Ų | 186 | 154.5 Ų | 154.5 | 87% | 0.869 | 82% | 0.819 | S | S | * | * | | | trans | -159.5 | 111.6 | 153.1 | -113.4 | 160 | -158.2 | 0 | 0 | 108.8 | G135 P139 | G135-E137 PolarHBondContact O-N 2.94Å; E137-P139 WeakPolarHBondContact O-CD 3.36Å |
| 138 | Y | 52.6 | Low | 50 | Low | 202 Ų | 202 | 149.3 Ų | 149.3 | 79% | 0.792 | 82% | 0.817 | S | S | * | * | | | trans | -69.2 | 122.8 | 174.9 | -65.5 | -90.8 | 0 | 0 | 0 | 109.2 | I136 R140 | I136-Y138 HydrophobicContact CG2-CE2 4.42Å; Y138-R140 PolarHBondContact O-N 3.02Å |
| 139 | P | 57 | Low | 49.7 | Very low | 123 Ų | 123 | 149.1 Ų | 149.1 | 80% | 0.799 | 82% | 0.821 | S | S | * | * | | | trans | -81.5 | 103.3 | 170.4 | 13.1 | 1.3 | 0 | 0 | 0 | 108.8 | E137 F141 | E137-P139 WeakPolarHBondContact O-CD 3.36Å; P139-F141 PolarHBondContact O-N 2.91Å |
| 140 | R | 47.1 | Very low | 49.1 | Very low | 219 Ų | 219 | 146.5 Ų | 146.5 | 83% | 0.826 | 82% | 0.817 | S | S | * | * | | | trans | -73.5 | 116.9 | 164.7 | -65 | 178 | -161.9 | 163.7 | 6.4 | 107.6 | Y138 | Y138-R140 PolarHBondContact O-N 3.02Š|
| 141 | F | 47.1 | Very low | 49.1 | Very low | 204 Ų | 204 | 149.6 Ų | 149.6 | 90% | 0.895 | 82% | 0.818 | S | S | * | * | | | trans | 18 | 99.8 | 153.8 | -60.8 | -84.2 | 0 | 0 | 0 | 117.2 | P139 A143 | P139-F141 PolarHBondContact O-N 2.91Å; F141-A143 PolarHBondContact O-N 3.24Å |
| 142 | D | 45.8 | Very low | 48.7 | Very low | 167 Ų | 167 | 150.1 Ų | 150.1 | 89% | 0.893 | 82% | 0.823 | S | S | * | * | | | trans | -79.6 | 101.7 | 167.9 | -71.4 | -43.5 | 0 | 0 | 0 | 110.6 | | |
| 143 | A | 45 | Very low | 48.4 | Very low | 93 Ų | 93 | 147.9 Ų | 147.9 | 77% | 0.769 | 82% | 0.816 | S | S | * | * | | | trans | -90.5 | 105.5 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | F141 | F141-A143 PolarHBondContact O-N 3.24Š|
| 144 | L | 49.8 | Very low | 48 | Very low | 167 Ų | 167 | 143 Ų | 143 | 87% | 0.874 | 81% | 0.814 | S | S | * | * | | | trans | 55.3 | 135.9 | 153.8 | -59.3 | 172.1 | 0 | 0 | 0 | 120.7 | | |
| 145 | P | 53.9 | Low | 47.7 | Very low | 115 Ų | 115 | 140.2 Ų | 140.2 | 75% | 0.747 | 81% | 0.806 | S | S | * | * | | | trans | -91.7 | -174.8 | 160.1 | 41.2 | -32.8 | 0 | 0 | 0 | 109.7 | | |
| 146 | P | 50.9 | Low | 47.8 | Very low | 115 Ų | 115 | 142.5 Ų | 142.5 | 75% | 0.747 | 81% | 0.808 | S | S | * | * | | | cis | -127.1 | 151.7 | -18.5 | 32.8 | -15.6 | 0 | 0 | 0 | 112.2 | | |
| 147 | S | 42.8 | Very low | 47.2 | Very low | 123 Ų | 123 | 144.7 Ų | 144.7 | 86% | 0.86 | 82% | 0.815 | S | S | * | * | | | trans | 175.1 | 119.9 | 143 | 41.6 | 0 | 0 | 0 | 0 | 110.1 | | |
| 148 | S | 43.9 | Very low | 46.7 | Very low | 110 Ų | 110 | 139.1 Ų | 139.1 | 77% | 0.769 | 81% | 0.807 | S | S | * | * | | | | 177.4 | 111.7 | 127.3 | -174.2 | 0 | 0 | 0 | 0 | 108.2 | | |
| 149 | T | 44.5 | Very low | 46.2 | Very low | 143 Ų | 143 | 139 Ų | 139 | 88% | 0.877 | 81% | 0.813 | S | S | * | * | | | trans | -2.8 | 125.5 | 132.3 | -45.7 | 0 | 0 | 0 | 0 | 114.4 | | |
| 150 | G | 46.3 | Very low | 45.6 | Very low | 71 Ų | 71 | 139 Ų | 139 | 73% | 0.732 | 82% | 0.817 | S | S | * | * | | | trans | 156 | 77.9 | 169.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 151 | Q | 48.9 | Very low | 45.1 | Very low | 186 Ų | 186 | 131.7 Ų | 131.7 | 87% | 0.869 | 81% | 0.81 | S | S | * | * | | | trans | -42.9 | 130.6 | 164.4 | -174.7 | 175.4 | -8.6 | 0 | 0 | 112.3 | | |
| 152 | G | 44.4 | Very low | 44.8 | Very low | 71 Ų | 71 | 128.8 Ų | 128.8 | 73% | 0.732 | 81% | 0.809 | S | S | * | * | | | trans | -165.4 | 86.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | C154 | G152-C154 PolarHBondContact O-N 3.23Š|
| 153 | E | 44 | Very low | 45 | Very low | 160 Ų | 160 | 130.8 Ų | 130.8 | 75% | 0.748 | 81% | 0.809 | S | S | * | * | | | trans | -61.5 | 112.6 | 178.9 | -66.6 | 168.4 | 161.2 | 0 | 0 | 110.7 | | |
| 154 | C | 43.7 | Very low | 44.8 | Very low | 129 Ų | 129 | 133.6 Ų | 133.6 | 87% | 0.872 | 81% | 0.806 | S | S | * | * | | | trans | -100.5 | 98.6 | 160 | -89.7 | 0 | 0 | 0 | 0 | 108.1 | G152 | G152-C154 PolarHBondContact O-N 3.23Š|
| 155 | N | 44.2 | Very low | 44.8 | Very low | 136 Ų | 136 | 134.4 Ų | 134.4 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | | | trans | -61.9 | 134.5 | 171.4 | -73.8 | -53.1 | 0 | 0 | 0 | 110.8 | Q157 | N155-Q157 PolarHBondContact O-N 2.92Š|
| 156 | P | 47.2 | Very low | 44.1 | Very low | 121 Ų | 121 | 135.1 Ų | 135.1 | 79% | 0.786 | 80% | 0.803 | S | S | * | * | | | trans | -74.7 | 118.4 | 166 | 28.7 | -29.7 | 0 | 0 | 0 | 109.5 | G158 | P156-G158 PolarHBondContact O-N 3.19Š|
| 157 | Q | 39.7 | Very low | 43.7 | Very low | 198 Ų | 198 | 140.5 Ų | 140.5 | 93% | 0.925 | 81% | 0.81 | S | S | * | * | | | trans | -57.5 | 106.8 | 172.5 | -174.8 | 165.6 | -7 | 0 | 0 | 110 | N155 | N155-Q157 PolarHBondContact O-N 2.92Š|
| 158 | G | 43 | Very low | 43.7 | Very low | 69 Ų | 69 | 140.5 Ų | 140.5 | 71% | 0.711 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 142.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | P156 | P156-G158 PolarHBondContact O-N 3.19Š|
| 159 | Q | 41.6 | Very low | 43.3 | Very low | 198 Ų | 198 | 138.8 Ų | 138.8 | 93% | 0.925 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -55 | 137.3 | 168.3 | -69.1 | 179.5 | -1.5 | 0 | 0 | 111 | | |
| 160 | S | 43.5 | Very low | 43.1 | Very low | 125 Ų | 125 | 141.3 Ų | 141.3 | 87% | 0.874 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -65.4 | 128.5 | 172.5 | 55 | 0 | 0 | 0 | 0 | 111.2 | | |
| 161 | G | 36.9 | Very low | 42.7 | Very low | 65 Ų | 65 | 146.2 Ų | 146.2 | 67% | 0.67 | 81% | 0.813 | S | S | * | * | | | trans | 127.2 | 72.2 | 158.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 162 | T | 41.6 | Very low | 42.4 | Very low | 142 Ų | 142 | 145.8 Ų | 145.8 | 87% | 0.871 | 81% | 0.812 | S | S | * | * | S | Bend | trans | 164.1 | 108.1 | 130.7 | 39 | 0 | 0 | 0 | 0 | 109.8 | H164 | T162-H164 PolarHBondContact O-N 3.39Š|
| 163 | K | 48.5 | Very low | 42.1 | Very low | 210 Ų | 210 | 145.2 Ų | 145.2 | 91% | 0.913 | 81% | 0.806 | S | S | * | * | | | trans | 33.2 | 83.5 | 145.6 | -142.6 | 175.2 | -168.9 | -179.8 | 0 | 117.3 | | |
| 164 | H | 42.7 | Very low | 42 | Very low | 152 Ų | 152 | 145.5 Ų | 145.5 | 70% | 0.704 | 81% | 0.812 | S | S | * | * | | | trans | -152.5 | 110.6 | 151.8 | -148.2 | -86.8 | 0 | 0 | 0 | 110.4 | T162 N166 | T162-H164 PolarHBondContact O-N 3.39Å; H164-N166 PolarHBondContact CE1-OD1 3.17Å; H164-N166 PolarHBondContact ND1-ND2 3.47Å; H164-N166 PolarHBondContact ND1-OD1 3.06Å; H164-N166 PolarHBondContact O-N 3.43Å |
| 165 | H | 49.1 | Very low | 42.2 | Very low | 184 Ų | 184 | 147.4 Ų | 147.4 | 85% | 0.852 | 81% | 0.813 | S | S | * | * | | | trans | -73.8 | 112.8 | 167.5 | -79.6 | -71.3 | 0 | 0 | 0 | 107.9 | | |
| 166 | N | 39.1 | Very low | 42.3 | Very low | 130 Ų | 130 | 146.6 Ų | 146.6 | 70% | 0.695 | 82% | 0.815 | S | S | * | * | | | trans | -128.6 | 105 | 163 | -76 | -26.1 | 0 | 0 | 0 | 108 | H164 | H164-N166 PolarHBondContact CE1-OD1 3.17Å; H164-N166 PolarHBondContact ND1-ND2 3.47Å; H164-N166 PolarHBondContact ND1-OD1 3.06Å; H164-N166 PolarHBondContact O-N 3.43Å |
| 167 | Y | 42.9 | Very low | 42.2 | Very low | 227 Ų | 227 | 147.4 Ų | 147.4 | 89% | 0.89 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 125.4 | 161.4 | -104.3 | -103.6 | 0 | 0 | 0 | 108.1 | G169 | Y167-G169 PolarHBondContact O-N 3Š|
| 168 | C | 41.3 | Very low | 42.3 | Very low | 124 Ų | 124 | 146 Ų | 146 | 84% | 0.838 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 127.9 | 164.6 | -98.4 | 0 | 0 | 0 | 0 | 108.6 | | |
| 169 | G | 37.2 | Very low | 42.3 | Very low | 74 Ų | 74 | 149.8 Ų | 149.8 | 76% | 0.763 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 134.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y167 | Y167-G169 PolarHBondContact O-N 3Š|
| 170 | E | 40.4 | Very low | 42.4 | Very low | 195 Ų | 195 | 145.3 Ų | 145.3 | 91% | 0.911 | 79% | 0.791 | S | S | * | * | | | trans | -108.5 | 105.7 | 156.1 | -69.2 | -178.9 | 168.4 | 0 | 0 | 106.8 | | |
| 171 | H | 37.9 | Very low | 42.1 | Very low | 174 Ų | 174 | 145.2 Ų | 145.2 | 81% | 0.806 | 79% | 0.79 | S | S | * | * | | | trans | -79.8 | 144.2 | 153.2 | -100.3 | 66.7 | 0 | 0 | 0 | 105.9 | | |
| 172 | E | 40.6 | Very low | 42.4 | Very low | 178 Ų | 178 | 153 Ų | 153 | 83% | 0.832 | 80% | 0.801 | S | S | * | * | | | cis | -171.5 | 142.2 | 9.9 | 178.3 | 169.5 | -166.2 | 0 | 0 | 105.6 | | |
| 173 | G | 39.8 | Very low | 42.4 | Very low | 59 Ų | 59 | 151.1 Ų | 151.1 | 61% | 0.608 | 79% | 0.793 | S | S | * | * | | | trans | 174.4 | 92.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 174 | N | 40.6 | Very low | 42 | Very low | 166 Ų | 166 | 148.1 Ų | 148.1 | 89% | 0.888 | 79% | 0.786 | S | S | * | * | | | trans | 90.1 | 93.8 | 161.6 | -46.3 | -61 | 0 | 0 | 0 | 117.2 | | |
| 175 | L | 47.7 | Very low | 42.1 | Very low | 168 Ų | 168 | 148.9 Ų | 148.9 | 88% | 0.88 | 80% | 0.795 | S | S | * | * | | | trans | -63.1 | 149.3 | 154.4 | -73.4 | 167.1 | 0 | 0 | 0 | 109.6 | | |
| 176 | P | 46.4 | Very low | 42 | Very low | 119 Ų | 119 | 144.5 Ų | 144.5 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | | | | -140.5 | 144.9 | 78 | 36.2 | -18.9 | 0 | 0 | 0 | 115.6 | | |
| 177 | H | 45.8 | Very low | 42.2 | Very low | 139 Ų | 139 | 145.6 Ų | 145.6 | 64% | 0.644 | 79% | 0.79 | S | S | * | * | | | trans | 57.2 | 112.1 | 144 | -111.2 | 47.6 | 0 | 0 | 0 | 117.9 | H179 | H177-H179 AromaticContact NE2-CE1 3.92Š|
| 178 | H | 41.5 | Very low | 42.4 | Very low | 168 Ų | 168 | 139.9 Ų | 139.9 | 78% | 0.778 | 78% | 0.78 | S | S | * | * | | | | -165.8 | 112.8 | 111.6 | -89.3 | -60.2 | 0 | 0 | 0 | 109.9 | | |
| 179 | H | 42.8 | Very low | 42.5 | Very low | 148 Ų | 148 | 140.7 Ų | 140.7 | 69% | 0.685 | 78% | 0.776 | S | S | * | * | | | trans | 23.4 | 121.7 | 149.9 | -43.9 | -69.8 | 0 | 0 | 0 | 119.7 | H177 | H177-H179 AromaticContact NE2-CE1 3.92Š|
| 180 | S | 43.1 | Very low | 42.8 | Very low | 105 Ų | 105 | 148.3 Ų | 148.3 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | | | | 170.3 | 96.6 | 102.2 | -177.1 | 0 | 0 | 0 | 0 | 110.4 | | |
| 181 | S | 38 | Very low | 42.9 | Very low | 123 Ų | 123 | 147.3 Ų | 147.3 | 86% | 0.86 | 78% | 0.777 | S | S | * | * | | | trans | -111.4 | 93 | 160.9 | -62.1 | 0 | 0 | 0 | 0 | 107.2 | | |
| 182 | Y | 42.7 | Very low | 43.2 | Very low | 227 Ų | 227 | 146.8 Ų | 146.8 | 89% | 0.89 | 77% | 0.773 | S | S | * | * | | | trans | -101.2 | 95.3 | 160.4 | -110.8 | -87.6 | 0 | 0 | 0 | 107.3 | | |
| 183 | S | 41.8 | Very low | 43.2 | Very low | 103 Ų | 103 | 147.4 Ų | 147.4 | 72% | 0.72 | 77% | 0.767 | S | S | * | * | | | trans | -118.2 | 102.2 | 171 | -179.2 | 0 | 0 | 0 | 0 | 108.6 | | |
| 184 | I | 41.4 | Very low | 43.3 | Very low | 148 Ų | 148 | 154.6 Ų | 154.6 | 76% | 0.759 | 78% | 0.776 | S | S | * | * | | | trans | 47.5 | 92.4 | 152.5 | -50.3 | 179.1 | 0 | 0 | 0 | 116 | | |
| 185 | D | 42.9 | Very low | 43.4 | Very low | 167 Ų | 167 | 152.3 Ų | 152.3 | 89% | 0.893 | 77% | 0.773 | S | S | * | * | | | trans | -80.1 | 122.3 | 148.4 | -104.3 | -23.2 | 0 | 0 | 0 | 108.8 | | |
| 186 | S | 48.7 | Very low | 43.4 | Very low | 92 Ų | 92 | 147.5 Ų | 147.5 | 64% | 0.643 | 76% | 0.764 | S | S | * | * | | | trans | -94 | 117.2 | 173.9 | 53.1 | 0 | 0 | 0 | 0 | 111.7 | | |
| 187 | I | 43.3 | Very low | 43.4 | Very low | 154 Ų | 154 | 148.9 Ų | 148.9 | 79% | 0.79 | 77% | 0.765 | S | S | * | * | | | trans | 85.7 | 147.6 | 139.3 | -60.3 | 169.4 | 0 | 0 | 0 | 116.5 | | |
| 188 | P | 46.7 | Very low | 43.2 | Very low | 106 Ų | 106 | 147 Ų | 147 | 69% | 0.688 | 76% | 0.763 | S | S | * | * | | | cis | -130.3 | 159.7 | 5.9 | 19.3 | 5.6 | 0 | 0 | 0 | 117.8 | | |
| 189 | N | 43.3 | Very low | 43.1 | Very low | 141 Ų | 141 | 145.8 Ų | 145.8 | 75% | 0.754 | 76% | 0.763 | S | S | * | * | | | trans | 47.6 | 110.9 | 139.7 | -166.4 | 8.7 | 0 | 0 | 0 | 120.2 | | |
| 190 | R | 43.3 | Very low | 42.6 | Very low | 235 Ų | 235 | 150.2 Ų | 150.2 | 89% | 0.887 | 79% | 0.79 | S | S | * | * | | | | -176.7 | 117.7 | 125.9 | 52 | -176.5 | 178.8 | -112.9 | -0.4 | 113.7 | | |
| 191 | E | 43 | Very low | 42.6 | Very low | 174 Ų | 174 | 152.5 Ų | 152.5 | 81% | 0.813 | 79% | 0.793 | S | S | * | * | | | trans | 14.5 | 122.5 | 143.7 | -66.4 | -176.9 | 173.2 | 0 | 0 | 122.5 | | |
| 192 | K | 42.9 | Very low | 42.9 | Very low | 163 Ų | 163 | 154 Ų | 154 | 71% | 0.709 | 79% | 0.789 | S | S | * | * | | | | 75 | 139.5 | 116.8 | -142.1 | -172.8 | -178.5 | 168.8 | 0 | 120.8 | | |
| 193 | R | 41.8 | Very low | 42.9 | Very low | 191 Ų | 191 | 149.9 Ų | 149.9 | 72% | 0.721 | 78% | 0.783 | S | S | * | * | | | trans | 86.7 | 141.7 | 156.6 | -54.3 | -164.3 | -167.9 | -153.4 | 2.5 | 113.4 | | |
| 194 | R | 42.1 | Very low | 42.9 | Very low | 210 Ų | 210 | 152.7 Ų | 152.7 | 79% | 0.792 | 79% | 0.787 | S | S | * | * | | | cis | 179.4 | 124.8 | 4.5 | 155.3 | -173.3 | -97.9 | -139.3 | -0.1 | 102.6 | | |
| 195 | S | 43 | Very low | 43 | Very low | 117 Ų | 117 | 153 Ų | 153 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | | | | 69.1 | 140.1 | 106.8 | -157.8 | 0 | 0 | 0 | 0 | 116.5 | | |
| 196 | G | 46 | Very low | 43 | Very low | 68 Ų | 68 | 152.1 Ų | 152.1 | 70% | 0.701 | 78% | 0.782 | S | S | * | * | | | trans | 119.9 | 87.8 | 168.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 197 | D | 47.1 | Very low | 42.6 | Very low | 148 Ų | 148 | 156.4 Ų | 156.4 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | | | cis | 70.3 | 115.2 | 41.7 | -138.4 | 29.7 | 0 | 0 | 0 | 114 | | |
| 198 | V | 42.3 | Very low | 42.6 | Very low | 98 Ų | 98 | 156.5 Ų | 156.5 | 59% | 0.594 | 79% | 0.792 | S | S | * | * | | | trans | 54.5 | 130.9 | 152 | -123.1 | 0 | 0 | 0 | 0 | 121.5 | | |
| 199 | N | 39.2 | Very low | 42.2 | Very low | 144 Ų | 144 | 160.8 Ų | 160.8 | 77% | 0.77 | 80% | 0.801 | S | S | * | * | | | | 160.4 | 131.3 | 96.9 | -87 | -50.8 | 0 | 0 | 0 | 112.8 | | |
| 200 | L | 32.8 | Very low | 42.1 | Very low | 240 Ų | 240 | 162.5 Ų | 162.5 | 100% | 1.257 | 81% | 0.805 | S | S | * | * | | | trans | -113.2 | 0 | 135.1 | -114.6 | 162.9 | 0 | 0 | 0 | 106.1 | | |