| 1 | M | 55.5 | Low | 61.4 | Low | 217 Ų | 217 | 150.3 Ų | 150.3 | 100% | 1.069 | 78% | 0.777 | S | S | * | * | | | | 0 | 103 | 0 | -175.6 | 174.8 | 175.8 | 0 | 0 | 106.5 | I3 | M1-I3 HydrophobicContact CG-CG1 4.48Š|
| 2 | Y | 59.4 | Low | 61.1 | Low | 234 Ų | 234 | 150.3 Ų | 150.3 | 92% | 0.918 | 78% | 0.778 | S | S | * | * | | | trans | -84.1 | 122.6 | 177.1 | -74 | -85 | 0 | 0 | 0 | 107.9 | | |
| 3 | I | 69.1 | Low | 60.7 | Low | 130 Ų | 130 | 145.8 Ų | 145.8 | 67% | 0.667 | 77% | 0.765 | S | S | * | * | | | trans | -106.7 | 101.6 | 172.8 | -58.1 | 172.2 | 0 | 0 | 0 | 105.6 | M1 I5 | M1-I3 HydrophobicContact CG-CG1 4.48Å; I3-I5 HydrophobicContact CG2-CG1 4.14Å |
| 4 | I | 70.2 | Confident | 60 | Low | 118 Ų | 118 | 144.6 Ų | 144.6 | 61% | 0.605 | 77% | 0.774 | S | S | * | * | | | trans | -89.8 | 113.1 | 171.5 | -51.7 | 173.5 | 0 | 0 | 0 | 106.7 | Y6 | I4-Y6 HydrophobicContact CB-CE2 3.92Å; I4-Y6 HydrophobicContact CB-CD2 4.22Å; I4-Y6 PolarHBondContact O-N 3.32Å; I4-Y6 HydrophobicContact CG2-CG 4.27Å; I4-Y6 HydrophobicContact CG2-CE2 3.16Å; I4-Y6 HydrophobicContact CG2-CD2 3.56Å; I4-Y6 HydrophobicContact CD1-CE2 4.44Å; I4-Y6 HydrophobicContact CG2-CE1 4.28Å |
| 5 | I | 73.5 | Confident | 59.5 | Low | 148 Ų | 148 | 145.7 Ų | 145.7 | 76% | 0.759 | 77% | 0.772 | S | S | * | * | | | trans | -87.1 | 96.9 | 175.4 | -55.8 | 173.5 | 0 | 0 | 0 | 107.1 | I3 | I3-I5 HydrophobicContact CG2-CG1 4.14Š|
| 6 | Y | 59.3 | Low | 59 | Low | 189 Ų | 189 | 149 Ų | 149 | 74% | 0.741 | 77% | 0.773 | S | S | * | * | | | trans | -97.1 | 108.2 | 162 | -67.4 | -77 | 0 | 0 | 0 | 107.5 | I4 | I4-Y6 HydrophobicContact CB-CE2 3.92Å; I4-Y6 HydrophobicContact CB-CD2 4.22Å; I4-Y6 PolarHBondContact O-N 3.32Å; I4-Y6 HydrophobicContact CG2-CG 4.27Å; I4-Y6 HydrophobicContact CG2-CE2 3.16Å; I4-Y6 HydrophobicContact CG2-CD2 3.56Å; I4-Y6 HydrophobicContact CD1-CE2 4.44Å; I4-Y6 HydrophobicContact CG2-CE1 4.28Å |
| 7 | S | 59.6 | Low | 58.5 | Low | 114 Ų | 114 | 151 Ų | 151 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | | | trans | 179.8 | 100.3 | 159.4 | -82.7 | 0 | 0 | 0 | 0 | 110.2 | | |
| 8 | N | 57.8 | Low | 58.1 | Low | 134 Ų | 134 | 149.9 Ų | 149.9 | 72% | 0.717 | 77% | 0.773 | S | S | * | * | | | | -168.6 | 85.3 | 123.2 | -151.7 | -23.6 | 0 | 0 | 0 | 110.1 | S10 | N8-S10 VanDerWaalsContact C-N 3.3Å; N8-S10 PolarHBondContact O-N 3.13Å; N8-S10 WeakPolarHBondContact OD1-CB 3.4Å; N8-S10 PolarHBondContact OD1-N 3.37Å; N8-S10 PolarHBondContact OD1-OG 3.12Å |
| 9 | I | 60.2 | Low | 57.6 | Low | 162 Ų | 162 | 154.1 Ų | 154.1 | 83% | 0.831 | 78% | 0.778 | S | S | * | * | | | trans | -95.3 | 67.8 | 166.7 | -50 | 169.9 | 0 | 0 | 0 | 106.5 | | |
| 10 | S | 56.4 | Low | 57.3 | Low | 102 Ų | 102 | 154.1 Ų | 154.1 | 71% | 0.713 | 78% | 0.78 | S | S | * | * | | | trans | -100.9 | 73.9 | 172.9 | -66.5 | 0 | 0 | 0 | 0 | 109.7 | N8 | N8-S10 VanDerWaalsContact C-N 3.3Å; N8-S10 PolarHBondContact O-N 3.13Å; N8-S10 WeakPolarHBondContact OD1-CB 3.4Å; N8-S10 PolarHBondContact OD1-N 3.37Å; N8-S10 PolarHBondContact OD1-OG 3.12Å |
| 11 | S | 54 | Low | 57 | Low | 105 Ų | 105 | 150.7 Ų | 150.7 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | | | trans | -164 | 70.1 | 159.8 | -178 | 0 | 0 | 0 | 0 | 108.4 | | |
| 12 | L | 58.4 | Low | 57 | Low | 150 Ų | 150 | 145 Ų | 145 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | | | trans | -81.3 | 123.2 | 162.4 | -66.9 | 175.5 | 0 | 0 | 0 | 107.4 | S14 | L12-S14 PolarHBondContact O-N 3.39Š|
| 13 | P | 55.5 | Low | 56.7 | Low | 93 Ų | 93 | 139.9 Ų | 139.9 | 60% | 0.604 | 77% | 0.766 | S | S | * | * | | | trans | -68.4 | 122.2 | 173.9 | 27.7 | -31.3 | 0 | 0 | 0 | 108.7 | E15 | P13-E15 HydrophobicContact CB-CB 4.49Å; P13-E15 HydrophobicContact CB-CG 4.24Å; P13-E15 PolarHBondContact O-N 3.29Å |
| 14 | S | 50.7 | Low | 55.7 | Low | 128 Ų | 128 | 139.5 Ų | 139.5 | 90% | 0.895 | 78% | 0.775 | S | S | * | * | | | trans | -75.4 | 62.2 | 168.5 | -69.8 | 0 | 0 | 0 | 0 | 110 | L12 | L12-S14 PolarHBondContact O-N 3.39Š|
| 15 | E | 53.2 | Low | 55.1 | Low | 161 Ų | 161 | 138.4 Ų | 138.4 | 75% | 0.752 | 78% | 0.784 | S | S | * | * | | | trans | -100.1 | 43.6 | 172 | -80.8 | -83.6 | 154.6 | 0 | 0 | 109.1 | P13 | P13-E15 HydrophobicContact CB-CB 4.49Å; P13-E15 HydrophobicContact CB-CG 4.24Å; P13-E15 PolarHBondContact O-N 3.29Å |
| 16 | Y | 51.7 | Low | 54.2 | Low | 199 Ų | 199 | 137.3 Ų | 137.3 | 78% | 0.78 | 79% | 0.786 | S | S | * | * | | | trans | -152.5 | 35.4 | -174 | -79.1 | -70.7 | 0 | 0 | 0 | 116.3 | | |
| 17 | Q | 50.7 | Low | 53.8 | Low | 183 Ų | 183 | 135.4 Ų | 135.4 | 86% | 0.855 | 79% | 0.794 | S | S | * | * | | | trans | -122.7 | 72.6 | 168.7 | -62.2 | -73.3 | 98.5 | 0 | 0 | 108.5 | | |
| 18 | L | 50.3 | Low | 53.4 | Low | 132 Ų | 132 | 133.1 Ų | 133.1 | 69% | 0.691 | 79% | 0.789 | S | S | * | * | | | | 56.5 | 80.2 | 95.6 | -161.1 | 72.2 | 0 | 0 | 0 | 110 | | |
| 19 | R | 48.1 | Very low | 53.4 | Low | 228 Ų | 228 | 131.1 Ų | 131.1 | 86% | 0.86 | 79% | 0.785 | S | S | * | * | | | | 42.7 | 93.3 | 95.1 | -69.8 | -171.9 | 175.4 | -170.6 | -0.7 | 112.4 | | |
| 20 | D | 53.5 | Low | 53.5 | Low | 155 Ų | 155 | 129.1 Ų | 129.1 | 83% | 0.829 | 78% | 0.782 | S | S | * | * | | | trans | -154.6 | 104.7 | 156.7 | -85.2 | -41.1 | 0 | 0 | 0 | 112.3 | | |
| 21 | G | 49 | Very low | 53.8 | Low | 82 Ų | 82 | 131.4 Ų | 131.4 | 85% | 0.845 | 79% | 0.787 | S | S | * | * | | | trans | 76.4 | 135.9 | 151.9 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 22 | A | 57 | Low | 54 | Low | 97 Ų | 97 | 134.9 Ų | 134.9 | 80% | 0.802 | 79% | 0.791 | S | S | * | * | | | cis | -177.4 | -174.4 | 3.5 | 0 | 0 | 0 | 0 | 0 | 106.6 | | |
| 23 | P | 52.1 | Low | 53.9 | Low | 127 Ų | 127 | 136.1 Ų | 136.1 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | | | | -114.2 | 164.5 | -59.2 | 35.3 | -20.7 | 0 | 0 | 0 | 112.9 | | |
| 24 | S | 49.2 | Very low | 54.4 | Low | 123 Ų | 123 | 137 Ų | 137 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | | | trans | -74.3 | 148.8 | 179.3 | -50.2 | 0 | 0 | 0 | 0 | 115.2 | | |
| 25 | A | 57 | Low | 55.2 | Low | 95 Ų | 95 | 135.7 Ų | 135.7 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | | | trans | -176.4 | 163.4 | 144.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 26 | P | 55.4 | Low | 56 | Low | 125 Ų | 125 | 132.4 Ų | 132.4 | 81% | 0.812 | 80% | 0.796 | S | S | * | * | | | | -111.1 | 160.2 | -51.7 | 34.3 | -21.2 | 0 | 0 | 0 | 111.3 | G28 | P26-G28 PolarHBondContact O-N 2.96Š|
| 27 | V | 49.6 | Very low | 57.1 | Low | 149 Ų | 149 | 128.6 Ų | 128.6 | 90% | 0.903 | 80% | 0.796 | S | S | * | * | | | trans | -71.2 | 104.9 | 176.2 | 179.9 | 0 | 0 | 0 | 0 | 109.5 | | |
| 28 | G | 52.1 | Low | 58.3 | Low | 66 Ų | 66 | 124.7 Ų | 124.7 | 68% | 0.68 | 80% | 0.795 | S | S | * | * | | | trans | -79.2 | 131.7 | 169 | 0 | 0 | 0 | 0 | 0 | 110.8 | P26 | P26-G28 PolarHBondContact O-N 2.96Š|
| 29 | S | 58.3 | Low | 59.3 | Low | 92 Ų | 92 | 122.8 Ų | 122.8 | 64% | 0.643 | 80% | 0.798 | S | S | * | * | | | trans | -54.6 | 140.1 | -178.8 | -54.7 | 0 | 0 | 0 | 0 | 112.6 | D31 | S29-D31 PolarHBondContact O-N 2.97Š|
| 30 | P | 60.9 | Low | 60.6 | Low | 119 Ų | 119 | 117.7 Ų | 117.7 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | G | 310 helix | trans | -66.7 | -10.5 | -172.4 | 25.5 | -33.7 | 0 | 0 | 0 | 115.1 | | |
| 31 | D | 63.3 | Low | 61.6 | Low | 150 Ų | 150 | 115 Ų | 115 | 80% | 0.802 | 79% | 0.793 | S | S | * | * | G | 310 helix | trans | -93.3 | -2.1 | -169.9 | -75.2 | -73.3 | 0 | 0 | 0 | 115.9 | S29 | S29-D31 PolarHBondContact O-N 2.97Š|
| 32 | Q | 58.7 | Low | 62.8 | Low | 179 Ų | 179 | 115.3 Ų | 115.3 | 84% | 0.836 | 79% | 0.788 | S | S | * | * | G | 310 helix | trans | -104.9 | 16.4 | -178.8 | -70.5 | -148.1 | -20.6 | 0 | 0 | 114.9 | P34 | Q32-P34 VanDerWaalsContact O-CD 3.27Å; Q32-P34 WeakPolarHBondContact O-CD 3.46Å |
| 33 | Q | 56.8 | Low | 63.7 | Low | 176 Ų | 176 | 116.3 Ų | 116.3 | 82% | 0.822 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 119 | -178 | -155.8 | 167.4 | -92.6 | 0 | 0 | 111.1 | | |
| 34 | P | 65.7 | Low | 64.9 | Low | 110 Ų | 110 | 117.9 Ų | 117.9 | 71% | 0.714 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 154.3 | 178.6 | -21.1 | 32.5 | 0 | 0 | 0 | 112.1 | Q32 A36 | Q32-P34 VanDerWaalsContact O-CD 3.27Å; Q32-P34 WeakPolarHBondContact O-CD 3.46Å; P34-A36 PolarHBondContact O-N 3.04Å |
| 35 | A | 67.5 | Low | 66 | Low | 101 Ų | 101 | 117.2 Ų | 117.2 | 84% | 0.835 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -49.5 | 126.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 36 | A | 70.1 | Confident | 66.8 | Low | 92 Ų | 92 | 118.5 Ų | 118.5 | 76% | 0.76 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 133.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | P34 | P34-A36 PolarHBondContact O-N 3.04Š|
| 37 | P | 74.9 | Confident | 67.7 | Low | 120 Ų | 120 | 119.2 Ų | 119.2 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 147.3 | 173.9 | 25.8 | -32.1 | 0 | 0 | 0 | 109.8 | A39 | P37-A39 PolarHBondContact O-N 2.79Š|
| 38 | A | 74.1 | Confident | 68.6 | Low | 100 Ų | 100 | 115.8 Ų | 115.8 | 83% | 0.826 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -51.3 | 130.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 39 | A | 72 | Confident | 69.6 | Low | 92 Ų | 92 | 118.6 Ų | 118.6 | 76% | 0.76 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 134.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | P37 | P37-A39 PolarHBondContact O-N 2.79Š|
| 40 | P | 75 | Confident | 70.3 | Confident | 122 Ų | 122 | 117.6 Ų | 117.6 | 79% | 0.792 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 142.3 | 174.2 | 24.1 | -30.8 | 0 | 0 | 0 | 109.6 | A42 | P40-A42 PolarHBondContact O-N 2.96Š|
| 41 | A | 75.8 | Confident | 70.7 | Confident | 97 Ų | 97 | 116.4 Ų | 116.4 | 80% | 0.802 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 130.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 42 | A | 72.8 | Confident | 71.2 | Confident | 90 Ų | 90 | 115.1 Ų | 115.1 | 74% | 0.744 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 135.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | P40 | P40-A42 PolarHBondContact O-N 2.96Š|
| 43 | P | 76.2 | Confident | 72.1 | Confident | 117 Ų | 117 | 111.1 Ų | 111.1 | 76% | 0.76 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 142.8 | 173.7 | 26.8 | -32.8 | 0 | 0 | 0 | 109.4 | S45 | P43-S45 PolarHBondContact O-N 3.13Š|
| 44 | D | 77.8 | Confident | 73 | Confident | 161 Ų | 161 | 106.9 Ų | 106.9 | 86% | 0.861 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 129.3 | 171.5 | -75.7 | -51.6 | 0 | 0 | 0 | 109.5 | | |
| 45 | S | 72.5 | Confident | 73.5 | Confident | 108 Ų | 108 | 107.5 Ų | 107.5 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 128.4 | -179.5 | -54.5 | 0 | 0 | 0 | 0 | 109.9 | P43 T47 | P43-S45 PolarHBondContact O-N 3.13Å; S45-T47 PolarHBondContact O-N 3.16Å |
| 46 | P | 74.7 | Confident | 74.2 | Confident | 123 Ų | 123 | 110.2 Ų | 110.2 | 80% | 0.799 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 128.7 | 175.4 | 25.3 | -32.5 | 0 | 0 | 0 | 108.5 | A48 | P46-A48 PolarHBondContact O-N 3.1Š|
| 47 | T | 74.1 | Confident | 74.6 | Confident | 139 Ų | 139 | 110.1 Ų | 110.1 | 85% | 0.853 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 117.7 | 169.2 | -56.6 | 0 | 0 | 0 | 0 | 107.4 | S45 | S45-T47 PolarHBondContact O-N 3.16Š|
| 48 | A | 68.8 | Low | 74.8 | Confident | 78 Ų | 78 | 109.9 Ų | 109.9 | 65% | 0.645 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 136.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | P46 G50 | P46-A48 PolarHBondContact O-N 3.1Å; A48-G50 PolarHBondContact O-N 3.4Å |
| 49 | P | 71.4 | Confident | 75.1 | Confident | 124 Ų | 124 | 110.5 Ų | 110.5 | 81% | 0.805 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 131.1 | 169.4 | -20.7 | 30.9 | 0 | 0 | 0 | 108.1 | A51 | P49-A51 PolarHBondContact O-N 3.46Š|
| 50 | G | 72.9 | Confident | 75.2 | Confident | 71 Ų | 71 | 111.9 Ų | 111.9 | 73% | 0.732 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -47.4 | 139.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | A48 | A48-G50 PolarHBondContact O-N 3.4Š|
| 51 | A | 69.9 | Low | 74.9 | Confident | 94 Ų | 94 | 110.7 Ų | 110.7 | 78% | 0.777 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -50.4 | 132.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | P49 A53 | P49-A51 PolarHBondContact O-N 3.46Å; A51-A53 PolarHBondContact O-N 2.8Å |
| 52 | P | 73.2 | Confident | 74.3 | Confident | 123 Ų | 123 | 111.8 Ų | 111.8 | 80% | 0.799 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 134.1 | 175.8 | 24.1 | -31.5 | 0 | 0 | 0 | 108.3 | A54 | P52-A54 PolarHBondContact O-N 3.42Š|
| 53 | A | 77.4 | Confident | 73.9 | Confident | 95 Ų | 95 | 112 Ų | 112 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 134.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | A51 | A51-A53 PolarHBondContact O-N 2.8Š|
| 54 | A | 76.9 | Confident | 73.3 | Confident | 87 Ų | 87 | 112.4 Ų | 112.4 | 72% | 0.719 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 138.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | P52 D56 | P52-A54 PolarHBondContact O-N 3.42Å; A54-D56 PolarHBondContact O-N 3.38Å |
| 55 | P | 76.7 | Confident | 72.8 | Confident | 123 Ų | 123 | 110.7 Ų | 110.7 | 80% | 0.799 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 137.5 | 175.2 | 25 | -32.5 | 0 | 0 | 0 | 109.5 | | |
| 56 | D | 81.8 | Confident | 72.5 | Confident | 159 Ų | 159 | 113 Ų | 113 | 85% | 0.85 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 143.6 | 175.4 | -87.9 | -47.3 | 0 | 0 | 0 | 110.8 | A54 | A54-D56 PolarHBondContact O-N 3.38Š|
| 57 | A | 78.5 | Confident | 72 | Confident | 89 Ų | 89 | 112 Ų | 112 | 74% | 0.736 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 137.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 58 | P | 79.6 | Confident | 71.9 | Confident | 115 Ų | 115 | 111 Ų | 111 | 75% | 0.747 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 145.5 | 177.5 | 25.9 | -33.7 | 0 | 0 | 0 | 109.7 | | |
| 59 | P | 78.5 | Confident | 71.8 | Confident | 113 Ų | 113 | 111.4 Ų | 111.4 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 147.8 | 175.4 | 25.1 | -33.6 | 0 | 0 | 0 | 109.8 | A61 | P59-A61 PolarHBondContact O-N 3.32Š|
| 60 | P | 75.2 | Confident | 71.4 | Confident | 121 Ų | 121 | 112.1 Ų | 112.1 | 79% | 0.786 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 128.8 | 177.7 | 23 | -32.6 | 0 | 0 | 0 | 109 | S62 | P60-S62 PolarHBondContact O-N 2.86Š|
| 61 | A | 67.6 | Low | 71 | Confident | 98 Ų | 98 | 114.6 Ų | 114.6 | 81% | 0.81 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -49.9 | 118 | 179.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | P59 A63 | P59-A61 PolarHBondContact O-N 3.32Å; A61-A63 PolarHBondContact O-N 3.35Å |
| 62 | S | 63.5 | Low | 70.7 | Confident | 119 Ų | 119 | 119.1 Ų | 119.1 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -51.2 | 119.6 | 173.7 | -61.4 | 0 | 0 | 0 | 0 | 107.5 | P60 T64 | P60-S62 PolarHBondContact O-N 2.86Å; S62-T64 PolarHBondContact O-N 3.44Å |
| 63 | A | 64.2 | Low | 70.3 | Confident | 96 Ų | 96 | 118.7 Ų | 118.7 | 79% | 0.793 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -48.5 | 129.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | A61 | A61-A63 PolarHBondContact O-N 3.35Š|
| 64 | T | 64 | Low | 69.7 | Low | 124 Ų | 124 | 120.7 Ų | 120.7 | 76% | 0.761 | 79% | 0.785 | S | S | * | * | | | trans | -35.2 | 147.6 | -175.2 | 35.4 | 0 | 0 | 0 | 0 | 114.5 | S62 D66 | S62-T64 PolarHBondContact O-N 3.44Å; T64-D66 PolarHBondContact O-N 2.91Å |
| 65 | P | 68.1 | Low | 69 | Low | 125 Ų | 125 | 119 Ų | 119 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | | | trans | -53.3 | 134.7 | 176.9 | 24.7 | -33.3 | 0 | 0 | 0 | 109.6 | | |
| 66 | D | 66.1 | Low | 68.6 | Low | 158 Ų | 158 | 123.7 Ų | 123.7 | 85% | 0.845 | 78% | 0.777 | S | S | * | * | | | trans | -49.1 | 143 | 178.2 | -136.8 | -27.4 | 0 | 0 | 0 | 110.1 | T64 | T64-D66 PolarHBondContact O-N 2.91Š|
| 67 | S | 64.3 | Low | 68.1 | Low | 100 Ų | 100 | 121.3 Ų | 121.3 | 70% | 0.699 | 77% | 0.771 | S | S | * | * | | | trans | -44.4 | 143.8 | -171.3 | -66.8 | 0 | 0 | 0 | 0 | 111.9 | A69 | S67-A69 PolarHBondContact O-N 3.18Š|
| 68 | P | 71.7 | Confident | 67.7 | Low | 120 Ų | 120 | 126.5 Ų | 126.5 | 78% | 0.779 | 78% | 0.777 | S | S | * | * | | | trans | -55.2 | 119.4 | -178.4 | 24.6 | -33.6 | 0 | 0 | 0 | 108.5 | T70 | P68-T70 PolarHBondContact O-N 3.24Š|
| 69 | A | 66 | Low | 67.3 | Low | 85 Ų | 85 | 124.2 Ų | 124.2 | 70% | 0.702 | 76% | 0.761 | S | S | * | * | | | trans | -51.8 | 115 | -179.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | S67 T71 | S67-A69 PolarHBondContact O-N 3.18Å; A69-T71 PolarHBondContact O-N 3.45Å |
| 70 | T | 63 | Low | 66.8 | Low | 139 Ų | 139 | 122 Ų | 122 | 85% | 0.853 | 75% | 0.749 | S | S | * | * | | | trans | -71 | 82 | 175 | 46.8 | 0 | 0 | 0 | 0 | 107.8 | P68 K72 | P68-T70 PolarHBondContact O-N 3.24Å; T70-K72 PolarHBondContact O-N 3.29Å |
| 71 | T | 64.5 | Low | 66.3 | Low | 123 Ų | 123 | 126.6 Ų | 126.6 | 76% | 0.755 | 75% | 0.751 | S | S | * | * | | | trans | -69.8 | 109.8 | 171.7 | 56.4 | 0 | 0 | 0 | 0 | 107.2 | A69 S73 | A69-T71 PolarHBondContact O-N 3.45Å; T71-S73 PolarHBondContact O-N 2.81Å |
| 72 | K | 64.9 | Low | 66 | Low | 189 Ų | 189 | 131.6 Ų | 131.6 | 82% | 0.822 | 75% | 0.748 | S | S | * | * | | | trans | -51.8 | 113.5 | 166.4 | -70.9 | 175.4 | -179.5 | 176.2 | 0 | 106.9 | T70 T74 | T70-K72 PolarHBondContact O-N 3.29Å; K72-T74 PolarHBondContact O-N 2.9Å; K72-T74 VanDerWaalsContact C-N 3.29Å |
| 73 | S | 63.8 | Low | 65.9 | Low | 114 Ų | 114 | 131.9 Ų | 131.9 | 80% | 0.797 | 74% | 0.737 | S | S | * | * | | | trans | -60.4 | 96.1 | 172.4 | -178.8 | 0 | 0 | 0 | 0 | 107.7 | T71 G75 | T71-S73 PolarHBondContact O-N 2.81Å; S73-G75 PolarHBondContact O-N 2.79Å |
| 74 | T | 64.1 | Low | 65.6 | Low | 138 Ų | 138 | 131 Ų | 131 | 85% | 0.847 | 72% | 0.721 | S | S | * | * | | | trans | -72.7 | 80 | 164.9 | 44.6 | 0 | 0 | 0 | 0 | 106 | K72 R76 | K72-T74 PolarHBondContact O-N 2.9Å; K72-T74 VanDerWaalsContact C-N 3.29Å; T74-R76 PolarHBondContact O-N 3.06Å |
| 75 | G | 62.4 | Low | 65.2 | Low | 51 Ų | 51 | 133.9 Ų | 133.9 | 53% | 0.526 | 72% | 0.718 | S | S | . | * | P | Polyproline II helix | trans | -47.6 | 137.9 | -171.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | S73 P77 | S73-G75 PolarHBondContact O-N 2.79Å; G75-P77 WeakPolarHBondContact O-CD 3.38Å |
| 76 | R | 68.6 | Low | 64.8 | Low | 221 Ų | 221 | 133.8 Ų | 133.8 | 83% | 0.834 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 125.2 | 166.1 | -169.4 | 177.6 | -163.4 | -120.6 | 2.6 | 107.4 | T74 K78 | T74-R76 PolarHBondContact O-N 3.06Å; R76-K78 PolarHBondContact O-N 2.99Å |
| 77 | P | 70.8 | Confident | 64.5 | Low | 110 Ų | 110 | 130.4 Ų | 130.4 | 71% | 0.714 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 134.4 | 175.8 | 17.2 | -26.4 | 0 | 0 | 0 | 109.1 | G75 | G75-P77 WeakPolarHBondContact O-CD 3.38Š|
| 78 | K | 71.8 | Confident | 64.3 | Low | 198 Ų | 198 | 132 Ų | 132 | 86% | 0.861 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 127 | 177.1 | -146.5 | 169.9 | -170.1 | 168.5 | 0 | 107 | R76 S80 | R76-K78 PolarHBondContact O-N 2.99Å; K78-S80 PolarHBondContact O-N 2.95Å |
| 79 | P | 69.9 | Low | 64 | Low | 66 Ų | 66 | 131.3 Ų | 131.3 | 43% | 0.429 | 70% | 0.701 | S | S | . | * | P | Polyproline II helix | trans | -57.4 | 132.2 | -177.3 | 22 | -31.5 | 0 | 0 | 0 | 108.9 | E83 | P79-E83 WeakPolarHBondContact CA-OE2 3.13Å; P79-E83 HydrophobicContact CB-CB 4.32Å; P79-E83 WeakPolarHBondContact CB-OE2 3.44Å |
| 80 | S | 69.2 | Low | 64.1 | Low | 67 Ų | 67 | 133.1 Ų | 133.1 | 47% | 0.469 | 71% | 0.705 | S | S | . | * | P | Polyproline II helix | trans | -56.4 | 145.4 | 177.1 | 170.8 | 0 | 0 | 0 | 0 | 108.6 | K78 R82 E83 T84 | K78-S80 PolarHBondContact O-N 2.95Å; S80-R82 PolarHBondContact O-N 3.35Å; S80-R82 PolarHBondContact OG-N 3.03Å; S80-E83 WeakPolarHBondContact O-CB 3.43Å; S80-E83 PolarHBondContact O-N 3.02Å; S80-E83 PolarHBondContact N-OE2 3.35Å; S80-T84 PolarHBondContact O-N 3.19Å; S80-T84 PolarHBondContact O-OG1 2.94Å |
| 81 | R | 63.5 | Low | 64.2 | Low | 218 Ų | 218 | 138 Ų | 138 | 82% | 0.823 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.6 | -19.4 | 174 | -165.7 | 175.7 | -174.8 | 169.4 | 2.4 | 112.3 | T84 R85 | R81-T84 WeakPolarHBondContact CA-OG1 3.14Å; R81-T84 PolarHBondContact O-OG1 3.29Å; R81-R85 WeakPolarHBondContact O-CG 3.49Å |
| 82 | R | 61.5 | Low | 64.3 | Low | 203 Ų | 203 | 137.2 Ų | 137.2 | 77% | 0.766 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | -34.4 | 175 | -149.6 | 173 | -170.9 | -109.5 | 2.7 | 113.3 | S80 R85 | S80-R82 PolarHBondContact O-N 3.35Å; S80-R82 PolarHBondContact OG-N 3.03Å; R82-R85 PolarHBondContact O-N 3.43Å |
| 83 | E | 61.5 | Low | 64.6 | Low | 125 Ų | 125 | 133.6 Ų | 133.6 | 58% | 0.584 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75 | -31.3 | 178.3 | -66.7 | 172.7 | 153.2 | 0 | 0 | 112 | P79 S80 R85 T86 | P79-E83 WeakPolarHBondContact CA-OE2 3.13Å; P79-E83 HydrophobicContact CB-CB 4.32Å; P79-E83 WeakPolarHBondContact CB-OE2 3.44Å; S80-E83 WeakPolarHBondContact O-CB 3.43Å; S80-E83 PolarHBondContact O-N 3.02Å; S80-E83 PolarHBondContact N-OE2 3.35Å; E83-R85 PolarHBondContact O-N 3.21Å; E83-T86 PolarHBondContact O-OG1 2.6Å |
| 84 | T | 57.4 | Low | 64.9 | Low | 76 Ų | 76 | 134.1 Ų | 134.1 | 47% | 0.466 | 70% | 0.704 | S | S | . | * | G | 310 helix | trans | -72.7 | -16.3 | 174.1 | 14.8 | 0 | 0 | 0 | 0 | 113.1 | S80 R81 | S80-T84 PolarHBondContact O-N 3.19Å; S80-T84 PolarHBondContact O-OG1 2.94Å; R81-T84 WeakPolarHBondContact CA-OG1 3.14Å; R81-T84 PolarHBondContact O-OG1 3.29Å |
| 85 | R | 56.9 | Low | 64.9 | Low | 185 Ų | 185 | 139.2 Ų | 139.2 | 70% | 0.698 | 71% | 0.708 | S | S | * | * | G | 310 helix | trans | -79 | -20 | 179.5 | -81.3 | 174.1 | 127.8 | 179.9 | -2.4 | 113.8 | R81 R82 E83 A87 | R81-R85 WeakPolarHBondContact O-CG 3.49Å; R82-R85 PolarHBondContact O-N 3.43Å; E83-R85 PolarHBondContact O-N 3.21Å; R85-A87 VanDerWaalsContact C-N 3.26Å; R85-A87 PolarHBondContact O-N 3.43Å |
| 86 | T | 58.2 | Low | 65.1 | Low | 124 Ų | 124 | 140.7 Ų | 140.7 | 76% | 0.761 | 72% | 0.715 | S | S | * | * | G | 310 helix | trans | -77.2 | -13.8 | -177.2 | -29 | 0 | 0 | 0 | 0 | 112.9 | E83 | E83-T86 PolarHBondContact O-OG1 2.6Š|
| 87 | A | 60.4 | Low | 64.8 | Low | 86 Ų | 86 | 141.9 Ų | 141.9 | 71% | 0.711 | 72% | 0.72 | S | S | * | * | G | 310 helix | trans | -91.4 | -0.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | R85 P89 | R85-A87 VanDerWaalsContact C-N 3.26Å; R85-A87 PolarHBondContact O-N 3.43Å; A87-P89 WeakPolarHBondContact O-CD 3.27Å |
| 88 | H | 60.7 | Low | 64.1 | Low | 134 Ų | 134 | 144 Ų | 144 | 62% | 0.62 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -79.9 | 119.6 | 175.7 | -63.9 | -52.9 | 0 | 0 | 0 | 109.4 | | |
| 89 | P | 66 | Low | 63.5 | Low | 106 Ų | 106 | 137.7 Ų | 137.7 | 69% | 0.688 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 147.3 | 168.6 | 25.7 | -32.9 | 0 | 0 | 0 | 108.5 | A87 R91 | A87-P89 WeakPolarHBondContact O-CD 3.27Å; P89-R91 PolarHBondContact O-N 3.3Å; P89-R91 VanDerWaalsContact O-N 3.13Å |
| 90 | P | 66.8 | Low | 62.9 | Low | 122 Ų | 122 | 146.1 Ų | 146.1 | 79% | 0.792 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -51.3 | 128.4 | 176.2 | 22.2 | -32.1 | 0 | 0 | 0 | 108.4 | S92 | P90-S92 PolarHBondContact O-N 2.87Å; P90-S92 VanDerWaalsContact O-N 3.16Å |
| 91 | R | 65.8 | Low | 62.2 | Low | 241 Ų | 241 | 152.4 Ų | 152.4 | 91% | 0.909 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -49.5 | 127.9 | 172.7 | -80.8 | 179.1 | 170.3 | 177.4 | -4.6 | 107 | P89 | P89-R91 PolarHBondContact O-N 3.3Å; P89-R91 VanDerWaalsContact O-N 3.13Å |
| 92 | S | 66.7 | Low | 62 | Low | 107 Ų | 107 | 146.7 Ų | 146.7 | 75% | 0.748 | 75% | 0.752 | S | S | * | * | | | trans | -44.2 | 134.7 | 178.9 | -45.2 | 0 | 0 | 0 | 0 | 109.4 | P90 | P90-S92 PolarHBondContact O-N 2.87Å; P90-S92 VanDerWaalsContact O-N 3.16Å |
| 93 | P | 69.9 | Low | 61.9 | Low | 114 Ų | 114 | 143.2 Ų | 143.2 | 74% | 0.74 | 75% | 0.753 | S | S | * | * | | | trans | -54 | 143.5 | 178.8 | 20.9 | -30.5 | 0 | 0 | 0 | 109.1 | R95 | P93-R95 PolarHBondContact O-N 3.3Å; P93-R95 VanDerWaalsContact O-N 3.1Å |
| 94 | P | 69.9 | Low | 62.1 | Low | 124 Ų | 124 | 145.8 Ų | 145.8 | 81% | 0.805 | 77% | 0.765 | S | S | * | * | | | trans | -53.2 | 125.2 | 179.4 | 22 | -31.9 | 0 | 0 | 0 | 108.5 | A96 | P94-A96 PolarHBondContact O-N 3.33Š|
| 95 | R | 65.8 | Low | 62.4 | Low | 246 Ų | 246 | 149.3 Ų | 149.3 | 93% | 0.928 | 78% | 0.78 | S | S | * | * | | | trans | -53.4 | 114.5 | -179 | -162.8 | 173.6 | -173.7 | -177.5 | 1.6 | 107.4 | P93 R97 | P93-R95 PolarHBondContact O-N 3.3Å; P93-R95 VanDerWaalsContact O-N 3.1Å; R95-R97 PolarHBondContact O-N 3.41Å |
| 96 | A | 65.4 | Low | 62.6 | Low | 81 Ų | 81 | 148.3 Ų | 148.3 | 67% | 0.669 | 79% | 0.787 | S | S | * | * | | | trans | -51.9 | 114.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | P94 N98 | P94-A96 PolarHBondContact O-N 3.33Å; A96-N98 PolarHBondContact O-N 3.23Å |
| 97 | R | 63.1 | Low | 62.7 | Low | 246 Ų | 246 | 157 Ų | 157 | 93% | 0.928 | 81% | 0.806 | S | S | * | * | | | trans | -72.9 | 101.5 | 177.7 | -163.8 | 174.3 | 172.5 | -175 | -2.8 | 105.1 | R95 G99 | R95-R97 PolarHBondContact O-N 3.41Å; R97-G99 PolarHBondContact O-N 3.07Å |
| 98 | N | 56.5 | Low | 62.8 | Low | 154 Ų | 154 | 160.6 Ų | 160.6 | 82% | 0.824 | 81% | 0.811 | S | S | * | * | | | trans | -48.9 | 99.6 | -179.1 | -72.8 | -10.7 | 0 | 0 | 0 | 110.1 | A96 R100 | A96-N98 PolarHBondContact O-N 3.23Å; N98-R100 PolarHBondContact O-N 3.19Å |
| 99 | G | 57.9 | Low | 62.9 | Low | 66 Ų | 66 | 161.9 Ų | 161.9 | 68% | 0.68 | 82% | 0.821 | S | S | * | * | | | trans | -72.7 | 112.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | R97 K101 | R97-G99 PolarHBondContact O-N 3.07Å; G99-K101 PolarHBondContact O-N 3.21Å |
| 100 | R | 57.1 | Low | 62.8 | Low | 244 Ų | 244 | 165.1 Ų | 165.1 | 92% | 0.921 | 83% | 0.828 | S | S | * | * | | | trans | -57.9 | 102.9 | 166.7 | -71.9 | 178.5 | 170.3 | 176.3 | -3.8 | 107.6 | N98 S102 | N98-R100 PolarHBondContact O-N 3.19Å; R100-S102 PolarHBondContact O-N 3.27Å; R100-S102 VanDerWaalsContact O-N 3.12Å |
| 101 | K | 56.3 | Low | 62.5 | Low | 198 Ų | 198 | 167.6 Ų | 167.6 | 86% | 0.861 | 83% | 0.83 | S | S | * | * | | | trans | -73.7 | 101.3 | 165.5 | -68.7 | -173.1 | -178.8 | -177.6 | 0 | 106.8 | G99 V103 | G99-K101 PolarHBondContact O-N 3.21Å; K101-V103 PolarHBondContact O-N 3.26Å |
| 102 | S | 58.8 | Low | 62.3 | Low | 99 Ų | 99 | 163 Ų | 163 | 69% | 0.692 | 83% | 0.825 | S | S | * | * | | | trans | -55.1 | 122.9 | 161.8 | 22.6 | 0 | 0 | 0 | 0 | 108.7 | R100 Q104 | R100-S102 PolarHBondContact O-N 3.27Å; R100-S102 VanDerWaalsContact O-N 3.12Å; S102-Q104 PolarHBondContact O-N 3.28Å; S102-Q104 VanDerWaalsContact O-N 3.13Å |
| 103 | V | 58.4 | Low | 62 | Low | 130 Ų | 130 | 166.7 Ų | 166.7 | 79% | 0.788 | 83% | 0.83 | S | S | * | * | | | trans | -67.7 | 105.7 | 167 | 179.1 | 0 | 0 | 0 | 0 | 106.4 | K101 I105 | K101-V103 PolarHBondContact O-N 3.26Å; V103-I105 HydrophobicContact CG1-CG1 3.96Å; V103-I105 PolarHBondContact O-N 3.21Å |
| 104 | Q | 65.5 | Low | 61.5 | Low | 178 Ų | 178 | 170.5 Ų | 170.5 | 83% | 0.832 | 84% | 0.837 | S | S | * | * | | | trans | -81.9 | 102.8 | 164.2 | -71.9 | -170.9 | -9.1 | 0 | 0 | 107 | S102 L106 | S102-Q104 PolarHBondContact O-N 3.28Å; S102-Q104 VanDerWaalsContact O-N 3.13Å; Q104-L106 PolarHBondContact O-N 3.06Å |
| 105 | I | 63.3 | Low | 60.8 | Low | 151 Ų | 151 | 174.1 Ų | 174.1 | 77% | 0.774 | 84% | 0.839 | S | S | * | * | | | trans | -73.3 | 109.8 | 163.3 | -60.7 | 174.2 | 0 | 0 | 0 | 105.3 | V103 | V103-I105 HydrophobicContact CG1-CG1 3.96Å; V103-I105 PolarHBondContact O-N 3.21Å |
| 106 | L | 62.4 | Low | 60.4 | Low | 163 Ų | 163 | 168.1 Ų | 168.1 | 85% | 0.853 | 83% | 0.832 | S | S | * | * | | | trans | -85 | 117.4 | 166.9 | -165.6 | 68.5 | 0 | 0 | 0 | 107 | Q104 | Q104-L106 PolarHBondContact O-N 3.06Š|
| 107 | R | 60 | Low | 59.9 | Low | 307 Ų | 307 | 176 Ų | 176 | 100% | 1.158 | 85% | 0.847 | S | S | * | * | | | trans | 1.3 | 0 | 172.9 | -63.5 | -178.2 | -175.3 | 162.9 | 1.3 | 118.9 | | |