| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 35.5 | Very low | 36.3 | Very low | 237 Ų | 237 | 144.1 Ų | 144.1 | 100% | 1.167 | 81% | 0.81 | S | S | * | * | 0 | 153.8 | 0 | -169.6 | 156.7 | 168.2 | 0 | 0 | 106.7 | |||||
| 2 | E | 34.3 | Very low | 36.3 | Very low | 187 Ų | 187 | 145.8 Ų | 145.8 | 87% | 0.874 | 81% | 0.814 | S | S | * | * | trans | 64.9 | 155.3 | -168.3 | -64.4 | -173.5 | 102.3 | 0 | 0 | 116.6 | ||||
| 3 | V | 41.7 | Very low | 36.7 | Very low | 129 Ų | 129 | 143.8 Ų | 143.8 | 78% | 0.782 | 81% | 0.811 | S | S | * | * | trans | -160.6 | 172.6 | -164.6 | -172.8 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 4 | V | 34.6 | Very low | 36.9 | Very low | 128 Ų | 128 | 146.9 Ų | 146.9 | 78% | 0.776 | 82% | 0.815 | S | S | * | * | trans | 81.2 | 137.4 | 165.3 | -169.7 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 5 | P | 47.6 | Very low | 37 | Very low | 110 Ų | 110 | 149.7 Ų | 149.7 | 71% | 0.714 | 82% | 0.82 | S | S | * | * | cis | -143.2 | 179.5 | -32.9 | 43.5 | -25.8 | 0 | 0 | 0 | 116.4 | ||||
| 6 | A | 35.9 | Very low | 37 | Very low | 72 Ų | 72 | 150.7 Ų | 150.7 | 60% | 0.595 | 82% | 0.822 | S | S | * | * | trans | 14.5 | 150.6 | 138.6 | 0 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 7 | E | 34.7 | Very low | 37.1 | Very low | 179 Ų | 179 | 151 Ų | 151 | 84% | 0.836 | 82% | 0.819 | S | S | * | * | trans | 69.4 | 152.1 | 147.3 | -71 | 154.8 | -151.7 | 0 | 0 | 118.1 | ||||
| 8 | V | 38.6 | Very low | 37 | Very low | 121 Ų | 121 | 150.1 Ų | 150.1 | 73% | 0.733 | 81% | 0.813 | S | S | * | * | cis | -142 | 140.3 | 8 | -133 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 9 | N | 29.7 | Very low | 37 | Very low | 155 Ų | 155 | 149.4 Ų | 149.4 | 83% | 0.829 | 82% | 0.815 | S | S | * | * | trans | -174.5 | 100.6 | 135.4 | -110.8 | -65.7 | 0 | 0 | 0 | 111.3 | ||||
| 10 | S | 33.5 | Very low | 37 | Very low | 114 Ų | 114 | 145.5 Ų | 145.5 | 80% | 0.797 | 81% | 0.811 | S | S | * | * | trans | -121 | 107.5 | 172.9 | -58.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 11 | L | 33.4 | Very low | 36.8 | Very low | 153 Ų | 153 | 146.2 Ų | 146.2 | 80% | 0.801 | 81% | 0.811 | S | S | * | * | trans | -144.5 | 138 | 169.8 | -85.1 | -177.8 | 0 | 0 | 0 | 111.8 | ||||
| 12 | L | 35.8 | Very low | 36.6 | Very low | 165 Ų | 165 | 140.7 Ų | 140.7 | 86% | 0.864 | 79% | 0.791 | S | S | * | * | trans | 79.1 | 146.6 | 172.8 | -56.9 | 171.8 | 0 | 0 | 0 | 116.7 | ||||
| 13 | P | 41.7 | Very low | 36.7 | Very low | 119 Ų | 119 | 139.7 Ų | 139.7 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | trans | -118.3 | 172.5 | -147.2 | 17.5 | 6.8 | 0 | 0 | 0 | 115.1 | ||||
| 14 | E | 39.5 | Very low | 36.5 | Very low | 187 Ų | 187 | 140.2 Ų | 140.2 | 87% | 0.874 | 79% | 0.794 | S | S | * | * | trans | -85.7 | -172.5 | 167.4 | -62.4 | -173 | 111.1 | 0 | 0 | 112.3 | ||||
| 15 | E | 38.7 | Very low | 36.4 | Very low | 190 Ų | 190 | 142 Ų | 142 | 89% | 0.888 | 80% | 0.799 | S | S | * | * | trans | 71.3 | 139.1 | -163.6 | -53.7 | -165 | 138.6 | 0 | 0 | 112.9 | ||||
| 16 | I | 37.1 | Very low | 35.7 | Very low | 165 Ų | 165 | 144.8 Ų | 144.8 | 85% | 0.846 | 81% | 0.808 | S | S | * | * | cis | -122.3 | 138 | 26.8 | -62.5 | 160.6 | 0 | 0 | 0 | 111.9 | ||||
| 17 | M | 38.3 | Very low | 35.8 | Very low | 156 Ų | 156 | 147.9 Ų | 147.9 | 77% | 0.768 | 82% | 0.815 | S | S | * | * | trans | -94.8 | 164.7 | 169.4 | -80.3 | -179.1 | 56.3 | 0 | 0 | 112.8 | ||||
| 18 | D | 35.6 | Very low | 35.8 | Very low | 135 Ų | 135 | 144.1 Ų | 144.1 | 72% | 0.722 | 81% | 0.808 | S | S | * | * | trans | 43.6 | 119.8 | 157.5 | -82.7 | -62.1 | 0 | 0 | 0 | 120.8 | ||||
| 19 | T | 37.3 | Very low | 35.5 | Very low | 137 Ų | 137 | 146.9 Ų | 146.9 | 84% | 0.84 | 82% | 0.817 | S | S | * | * | trans | -130.1 | 68.4 | 157.4 | 33.5 | 0 | 0 | 0 | 0 | 111.1 | I21 | T19-I21 PolarHBondContact O-N 3.28Š| ||
| 20 | G | 37 | Very low | 35.5 | Very low | 71 Ų | 71 | 148.4 Ų | 148.4 | 73% | 0.732 | 82% | 0.819 | S | S | * | * | trans | -70.6 | 114.9 | 159.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 21 | I | 31.9 | Very low | 35.3 | Very low | 160 Ų | 160 | 147.5 Ų | 147.5 | 82% | 0.821 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -93.7 | 118.5 | 175.3 | -66.8 | 178.7 | 0 | 0 | 0 | 109.2 | T19 | T19-I21 PolarHBondContact O-N 3.28Š|
| 22 | T | 32.5 | Very low | 35 | Very low | 122 Ų | 122 | 146.3 Ų | 146.3 | 75% | 0.748 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 146.4 | 170.7 | 42.6 | 0 | 0 | 0 | 0 | 111.1 | ||
| 23 | L | 35.5 | Very low | 34.7 | Very low | 165 Ų | 165 | 145.4 Ų | 145.4 | 86% | 0.864 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 148.2 | 161.9 | -69.1 | 169.6 | 0 | 0 | 0 | 108.8 | ||
| 24 | V | 37.3 | Very low | 34 | Very low | 141 Ų | 141 | 146.1 Ų | 146.1 | 86% | 0.855 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -94.7 | 128.9 | 168 | -74.7 | 0 | 0 | 0 | 0 | 109.1 | ||
| 25 | D | 31.9 | Very low | 33.4 | Very low | 165 Ų | 165 | 141.4 Ų | 141.4 | 88% | 0.882 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 146.7 | 167.7 | -67 | -70.5 | 0 | 0 | 0 | 110.1 | ||
| 26 | D | 34.1 | Very low | 33 | Very low | 168 Ų | 168 | 138 Ų | 138 | 90% | 0.898 | 80% | 0.798 | S | S | * | * | trans | -141.3 | 138.3 | 169.4 | -152.6 | -45.4 | 0 | 0 | 0 | 106.9 | ||||
| 27 | D | 36.8 | Very low | 33 | Very low | 138 Ų | 138 | 136.1 Ų | 136.1 | 74% | 0.738 | 80% | 0.797 | S | S | * | * | trans | -119.1 | 161.1 | -157.4 | -159.3 | -67.3 | 0 | 0 | 0 | 112.6 | ||||
| 28 | S | 35 | Very low | 32.7 | Very low | 100 Ų | 100 | 136.1 Ų | 136.1 | 70% | 0.699 | 80% | 0.798 | S | S | * | * | trans | 64.2 | 104.6 | 162.3 | -72.6 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 29 | I | 32.1 | Very low | 32.8 | Very low | 179 Ų | 179 | 135.4 Ų | 135.4 | 92% | 0.918 | 80% | 0.801 | S | S | * | * | trans | -136 | 150.2 | 136.5 | 48 | 171 | 0 | 0 | 0 | 110.9 | ||||
| 30 | E | 29.6 | Very low | 32.4 | Very low | 187 Ų | 187 | 136.1 Ų | 136.1 | 87% | 0.874 | 80% | 0.797 | S | S | * | * | trans | -81.1 | 156.6 | -160.3 | -59.5 | 169.9 | 104.3 | 0 | 0 | 115.6 | V32 | E30-V32 PolarHBondContact O-N 3.42Š| ||
| 31 | A | 29.4 | Very low | 32 | Very low | 95 Ų | 95 | 141.3 Ų | 141.3 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | trans | -89 | 97.3 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | I33 | A31-I33 PolarHBondContact O-N 3.17Š| ||
| 32 | V | 27.5 | Very low | 32.1 | Very low | 127 Ų | 127 | 139.7 Ų | 139.7 | 77% | 0.77 | 80% | 0.8 | S | S | * | * | trans | -71.4 | 115.4 | 175.7 | -179.4 | 0 | 0 | 0 | 0 | 110.7 | E30 V34 | E30-V32 PolarHBondContact O-N 3.42Å; V32-V34 HydrophobicContact CG1-CG2 4.2Å | ||
| 33 | I | 30.1 | Very low | 32 | Very low | 147 Ų | 147 | 143.1 Ų | 143.1 | 75% | 0.754 | 81% | 0.807 | S | S | * | * | trans | -82 | 124.1 | 172.7 | -57.7 | 173.2 | 0 | 0 | 0 | 109.1 | A31 | A31-I33 PolarHBondContact O-N 3.17Š| ||
| 34 | V | 27.3 | Very low | 31.8 | Very low | 133 Ų | 133 | 142.6 Ų | 142.6 | 81% | 0.806 | 81% | 0.805 | S | S | * | * | trans | -122.2 | 122.7 | 165.3 | -176.7 | 0 | 0 | 0 | 0 | 108.5 | V32 | V32-V34 HydrophobicContact CG1-CG2 4.2Š| ||
| 35 | S | 27.3 | Very low | 31.5 | Very low | 89 Ų | 89 | 144 Ų | 144 | 62% | 0.622 | 80% | 0.802 | S | S | * | * | trans | -119.4 | 154.9 | -175.8 | -66.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 36 | S | 29.4 | Very low | 31.3 | Very low | 117 Ų | 117 | 144.2 Ų | 144.2 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | 84.7 | 154.1 | 167.8 | -33.8 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 37 | P | 37.2 | Very low | 31.1 | Very low | 126 Ų | 126 | 142.7 Ų | 142.7 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | cis | -128.3 | -176.7 | -22.3 | 28.8 | -7.4 | 0 | 0 | 0 | 113.8 | ||||
| 38 | I | 31.5 | Very low | 30.7 | Very low | 156 Ų | 156 | 142.5 Ų | 142.5 | 80% | 0.8 | 79% | 0.792 | S | S | * | * | trans | -104.3 | 144.7 | 178.9 | -54.1 | 161.8 | 0 | 0 | 0 | 109.8 | M40 | I38-M40 HydrophobicContact CG2-CB 4.2Š| ||
| 39 | P | 38 | Very low | 30.4 | Very low | 120 Ų | 120 | 145 Ų | 145 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | -128.7 | 145.6 | 117.3 | 36.3 | -29.6 | 0 | 0 | 0 | 110.6 | |||||
| 40 | M | 28.6 | Very low | 30.2 | Very low | 152 Ų | 152 | 143.5 Ų | 143.5 | 75% | 0.749 | 79% | 0.789 | S | S | * | * | cis | 84.8 | 80.8 | 21.6 | -158.8 | -148.3 | 82.9 | 0 | 0 | 116.6 | I38 | I38-M40 HydrophobicContact CG2-CB 4.2Š| ||
| 41 | E | 29.4 | Very low | 30.1 | Very low | 180 Ų | 180 | 141.7 Ų | 141.7 | 84% | 0.841 | 79% | 0.786 | S | S | * | * | trans | -139.8 | 139.3 | 144.7 | -59.7 | -170.5 | 135.6 | 0 | 0 | 105.8 | ||||
| 42 | T | 33.2 | Very low | 30 | Very low | 127 Ų | 127 | 142.5 Ų | 142.5 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | 52.5 | 134.2 | 74 | 4.3 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 43 | E | 30.3 | Very low | 29.9 | Very low | 193 Ų | 193 | 143.3 Ų | 143.3 | 90% | 0.902 | 79% | 0.791 | S | S | * | * | cis | -135.2 | -154.1 | 46.3 | -53.6 | -172 | 126.6 | 0 | 0 | 115 | ||||
| 44 | L | 31.1 | Very low | 29.8 | Very low | 155 Ų | 155 | 139.9 Ų | 139.9 | 81% | 0.812 | 79% | 0.792 | S | S | * | * | trans | -137.2 | 177.7 | -159 | -155 | 70.4 | 0 | 0 | 0 | 114 | ||||
| 45 | E | 32.7 | Very low | 29.7 | Very low | 170 Ų | 170 | 140.8 Ų | 140.8 | 79% | 0.794 | 79% | 0.792 | S | S | * | * | trans | 75.3 | 154.1 | 165 | -64 | 171.8 | 178.6 | 0 | 0 | 116.8 | ||||
| 46 | E | 26.7 | Very low | 30 | Very low | 170 Ų | 170 | 141.3 Ų | 141.3 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | cis | -140.8 | -162.6 | 4.2 | -145.5 | -155.9 | 127.7 | 0 | 0 | 113.2 | ||||
| 47 | I | 30 | Very low | 29.9 | Very low | 136 Ų | 136 | 140.6 Ų | 140.6 | 70% | 0.697 | 80% | 0.797 | S | S | * | * | trans | -115 | 136.7 | -159.2 | -57.7 | 153.5 | 0 | 0 | 0 | 113 | ||||
| 48 | V | 28 | Very low | 29.4 | Very low | 134 Ų | 134 | 139.3 Ų | 139.3 | 81% | 0.812 | 80% | 0.797 | S | S | * | * | trans | -144.4 | 134.9 | 144.8 | -177.6 | 0 | 0 | 0 | 0 | 110 | I50 | V48-I50 HydrophobicContact CG1-CG1 4.33Š| ||
| 49 | N | 28.8 | Very low | 29.1 | Very low | 151 Ų | 151 | 138.3 Ų | 138.3 | 81% | 0.807 | 80% | 0.798 | S | S | * | * | trans | -142.8 | 111.3 | 178.3 | -159.2 | 27.5 | 0 | 0 | 0 | 109.7 | ||||
| 50 | I | 28.9 | Very low | 29.2 | Very low | 149 Ų | 149 | 138.1 Ų | 138.1 | 76% | 0.764 | 80% | 0.797 | S | S | * | * | trans | -141.3 | 128.3 | 177.1 | -55.2 | -179.1 | 0 | 0 | 0 | 110.9 | V48 | V48-I50 HydrophobicContact CG1-CG1 4.33Š| ||
| 51 | N | 26.6 | Very low | 29.1 | Very low | 149 Ų | 149 | 138.6 Ų | 138.6 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | trans | -110.8 | 140.1 | 167.9 | -86.4 | -25.4 | 0 | 0 | 0 | 110.3 | ||||
| 52 | S | 27.5 | Very low | 28.9 | Very low | 111 Ų | 111 | 134.9 Ų | 134.9 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | trans | -173.4 | 137.9 | 148.9 | -77.5 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 53 | T | 26.3 | Very low | 28.6 | Very low | 145 Ų | 145 | 135.4 Ų | 135.4 | 89% | 0.89 | 80% | 0.798 | S | S | * | * | cis | 84.1 | 114.9 | 28.8 | -47.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 54 | G | 27.3 | Very low | 28.2 | Very low | 75 Ų | 75 | 134.8 Ų | 134.8 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | trans | 165.4 | 144.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 55 | D | 26.1 | Very low | 28.6 | Very low | 152 Ų | 152 | 132.2 Ų | 132.2 | 81% | 0.813 | 79% | 0.788 | S | S | * | * | trans | -165.7 | 171.7 | -170 | -177.5 | 46.9 | 0 | 0 | 0 | 113.6 | ||||
| 56 | S | 31.8 | Very low | 28.2 | Very low | 100 Ų | 100 | 131.2 Ų | 131.2 | 70% | 0.699 | 79% | 0.786 | S | S | * | * | trans | 85.5 | 160.9 | 150.7 | -91.3 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 57 | A | 28.3 | Very low | 28.1 | Very low | 101 Ų | 101 | 129.2 Ų | 129.2 | 84% | 0.835 | 79% | 0.786 | S | S | * | * | trans | 78.7 | 139.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 58 | A | 27 | Very low | 27.8 | Very low | 100 Ų | 100 | 129.3 Ų | 129.3 | 83% | 0.826 | 79% | 0.793 | S | S | * | * | cis | -159.8 | -176.5 | -9.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 59 | T | 23.8 | Very low | 27.6 | Very low | 134 Ų | 134 | 132.9 Ų | 132.9 | 82% | 0.822 | 79% | 0.793 | S | S | * | * | trans | -89.3 | -165.5 | -177.5 | 49.1 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 60 | P | 40.9 | Very low | 27.5 | Very low | 117 Ų | 117 | 129.7 Ų | 129.7 | 76% | 0.76 | 78% | 0.782 | S | S | * | * | cis | -115.8 | -150 | 4.6 | 26.6 | 0.4 | 0 | 0 | 0 | 114.1 | ||||
| 61 | I | 27 | Very low | 27.5 | Very low | 162 Ų | 162 | 128.9 Ų | 128.9 | 83% | 0.831 | 78% | 0.78 | S | S | * | * | cis | -146.7 | 179 | 30.5 | -72.7 | 175.4 | 0 | 0 | 0 | 111.4 | ||||
| 62 | S | 24.1 | Very low | 27.7 | Very low | 101 Ų | 101 | 129.7 Ų | 129.7 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | trans | -123 | 156.1 | -176.2 | 175.3 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 63 | T | 26.6 | Very low | 27.7 | Very low | 139 Ų | 139 | 129.9 Ų | 129.9 | 85% | 0.853 | 78% | 0.775 | S | S | * | * | trans | -173.2 | 141.7 | 146.7 | 25.4 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 64 | E | 22.9 | Very low | 27.7 | Very low | 180 Ų | 180 | 129.9 Ų | 129.9 | 84% | 0.841 | 77% | 0.77 | S | S | * | * | trans | -106 | -160.6 | 155.4 | -68.5 | -163.2 | 119.1 | 0 | 0 | 108.8 | ||||
| 65 | P | 38.4 | Very low | 27.8 | Very low | 100 Ų | 100 | 134.3 Ų | 134.3 | 65% | 0.649 | 77% | 0.77 | S | S | * | * | cis | -150.2 | -162.8 | 2.7 | 45.7 | -23.4 | 0 | 0 | 0 | 118.6 | ||||
| 66 | I | 24.7 | Very low | 27.9 | Very low | 150 Ų | 150 | 132.9 Ų | 132.9 | 77% | 0.769 | 77% | 0.767 | S | S | * | * | trans | 75 | 142.7 | 155.5 | -70.5 | 168.7 | 0 | 0 | 0 | 119.1 | ||||
| 67 | T | 24.1 | Very low | 27.6 | Very low | 128 Ų | 128 | 132.2 Ų | 132.2 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | cis | -148.7 | -92.3 | -42.4 | 47.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 68 | V | 24.4 | Very low | 27.5 | Very low | 138 Ų | 138 | 133.1 Ų | 133.1 | 84% | 0.836 | 76% | 0.762 | S | S | * | * | trans | 67.9 | 136.6 | 178.2 | -179.2 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 69 | Y | 24.2 | Very low | 27.5 | Very low | 208 Ų | 208 | 135.2 Ų | 135.2 | 82% | 0.816 | 76% | 0.76 | S | S | * | * | cis | -155.7 | -111 | -23 | -176.6 | 17.6 | 0 | 0 | 0 | 112.3 | ||||
| 70 | S | 25.7 | Very low | 27.7 | Very low | 84 Ų | 84 | 133.7 Ų | 133.7 | 59% | 0.587 | 75% | 0.75 | S | S | * | * | trans | -156.2 | 174.1 | -169.4 | -56.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 71 | N | 28.9 | Very low | 27.1 | Very low | 133 Ų | 133 | 134.3 Ų | 134.3 | 71% | 0.711 | 75% | 0.752 | S | S | * | * | cis | -160.4 | 168.7 | 27.6 | -128 | -17.5 | 0 | 0 | 0 | 115.7 | ||||
| 72 | H | 32.1 | Very low | 27.2 | Very low | 166 Ų | 166 | 134 Ų | 134 | 77% | 0.769 | 75% | 0.75 | S | S | * | * | trans | -17.4 | 162.5 | 172.8 | -67.4 | -70.7 | 0 | 0 | 0 | 123.3 | ||||
| 73 | T | 27.3 | Very low | 27.4 | Very low | 115 Ų | 115 | 134.6 Ų | 134.6 | 71% | 0.706 | 75% | 0.75 | S | S | * | * | -179.2 | 139.5 | 72.4 | -57.9 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 74 | N | 26.9 | Very low | 27.5 | Very low | 145 Ų | 145 | 137.5 Ų | 137.5 | 78% | 0.775 | 75% | 0.751 | S | S | * | * | trans | 52.5 | 173.7 | 156.8 | -65 | -10.3 | 0 | 0 | 0 | 124.5 | ||||
| 75 | Q | 29.1 | Very low | 27.8 | Very low | 167 Ų | 167 | 132.9 Ų | 132.9 | 78% | 0.78 | 74% | 0.743 | S | S | * | * | -173.5 | 172.8 | -60.5 | -147.9 | -170.8 | 81 | 0 | 0 | 110.9 | |||||
| 76 | V | 26.7 | Very low | 27.2 | Very low | 122 Ų | 122 | 135 Ų | 135 | 74% | 0.739 | 75% | 0.749 | S | S | * | * | trans | 75.2 | 127.4 | 169.6 | -165.9 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 77 | A | 25.8 | Very low | 27.4 | Very low | 87 Ų | 87 | 132.4 Ų | 132.4 | 72% | 0.719 | 75% | 0.745 | S | S | * | * | cis | 91.5 | 146.4 | 29.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 78 | V | 27.7 | Very low | 27.5 | Very low | 120 Ų | 120 | 133.7 Ų | 133.7 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | cis | -165.4 | 165.5 | -8.5 | 119.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 79 | N | 26.9 | Very low | 27.7 | Very low | 144 Ų | 144 | 132 Ų | 132 | 77% | 0.77 | 74% | 0.737 | S | S | * | * | trans | 73.2 | 161.1 | 163.6 | -82.7 | -16 | 0 | 0 | 0 | 121.1 | ||||
| 80 | T | 27.4 | Very low | 27.7 | Very low | 102 Ų | 102 | 128.1 Ų | 128.1 | 63% | 0.626 | 74% | 0.735 | S | S | * | * | cis | -176.2 | 157.1 | -33.1 | -95.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 81 | T | 28.1 | Very low | 27.8 | Very low | 130 Ų | 130 | 130.1 Ų | 130.1 | 80% | 0.798 | 74% | 0.743 | S | S | * | * | trans | 68.2 | 166.5 | 172.2 | 42 | 0 | 0 | 0 | 0 | 118 | ||||
| 82 | I | 29.3 | Very low | 27.6 | Very low | 154 Ų | 154 | 132.9 Ų | 132.9 | 79% | 0.79 | 75% | 0.749 | S | S | * | * | cis | -136.7 | -155.3 | 10.5 | -153.3 | 163.3 | 0 | 0 | 0 | 113.5 | ||||
| 83 | T | 27.8 | Very low | 28 | Very low | 115 Ų | 115 | 130.4 Ų | 130.4 | 71% | 0.706 | 75% | 0.748 | S | S | * | * | trans | -149.1 | 180 | -165.1 | 61.5 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 84 | K | 28.7 | Very low | 27.8 | Very low | 199 Ų | 199 | 129.7 Ų | 129.7 | 87% | 0.865 | 75% | 0.753 | S | S | * | * | trans | 89.8 | 154.9 | 174.2 | -59.6 | 178.7 | -178.6 | -179.5 | 0 | 116.8 | ||||
| 85 | A | 28.6 | Very low | 28.1 | Very low | 83 Ų | 83 | 132.6 Ų | 132.6 | 69% | 0.686 | 76% | 0.759 | S | S | * | * | cis | -176.2 | 180 | -25.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 86 | D | 26.8 | Very low | 28.4 | Very low | 144 Ų | 144 | 129.7 Ų | 129.7 | 77% | 0.77 | 76% | 0.755 | S | S | * | * | cis | -162.4 | 173.7 | -3.6 | -142.8 | -69.3 | 0 | 0 | 0 | 112.6 | ||||
| 87 | S | 29 | Very low | 28.3 | Very low | 97 Ų | 97 | 129.8 Ų | 129.8 | 68% | 0.678 | 76% | 0.761 | S | S | * | * | trans | 52.3 | 104 | 146.3 | -74.7 | 0 | 0 | 0 | 0 | 126.6 | ||||
| 88 | N | 25.9 | Very low | 28.2 | Very low | 154 Ų | 154 | 128.9 Ų | 128.9 | 82% | 0.824 | 76% | 0.761 | S | S | * | * | 81.4 | 147 | 111.5 | -148.4 | 12.5 | 0 | 0 | 0 | 125 | |||||
| 89 | T | 28 | Very low | 28.2 | Very low | 104 Ų | 104 | 130.6 Ų | 130.6 | 64% | 0.638 | 77% | 0.765 | S | S | * | * | trans | 97.6 | 90.6 | 152.6 | -34 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 90 | T | 24.2 | Very low | 28.1 | Very low | 126 Ų | 126 | 131.5 Ų | 131.5 | 77% | 0.773 | 76% | 0.764 | S | S | * | * | 60.6 | 144.4 | 128 | -35.1 | 0 | 0 | 0 | 0 | 124.4 | |||||
| 91 | V | 28.6 | Very low | 28.1 | Very low | 125 Ų | 125 | 135.4 Ų | 135.4 | 76% | 0.758 | 77% | 0.773 | S | S | * | * | trans | 93.3 | 94.9 | 163.3 | -162.8 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 92 | K | 24.4 | Very low | 27.9 | Very low | 192 Ų | 192 | 136.9 Ų | 136.9 | 84% | 0.835 | 78% | 0.775 | S | S | * | * | 26.4 | 147.7 | 121.3 | -145.6 | -173.8 | -177.7 | -176 | 0 | 120.1 | |||||
| 93 | P | 40.2 | Very low | 27.7 | Very low | 114 Ų | 114 | 133.1 Ų | 133.1 | 74% | 0.74 | 77% | 0.774 | S | S | * | * | cis | -128.4 | 158 | -47.7 | 39.8 | -26.1 | 0 | 0 | 0 | 113.1 | ||||
| 94 | A | 22.9 | Very low | 27.6 | Very low | 100 Ų | 100 | 132.3 Ų | 132.3 | 83% | 0.826 | 78% | 0.779 | S | S | * | * | trans | -154.4 | 133.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 95 | F | 33.4 | Very low | 27.6 | Very low | 205 Ų | 205 | 132.1 Ų | 132.1 | 90% | 0.899 | 78% | 0.781 | S | S | * | * | trans | -88.1 | 164.2 | 138.9 | -76.4 | -85.9 | 0 | 0 | 0 | 107 | ||||
| 96 | P | 36.5 | Very low | 27.5 | Very low | 106 Ų | 106 | 134.2 Ų | 134.2 | 69% | 0.688 | 79% | 0.786 | S | S | * | * | cis | -144.5 | -165.6 | 27.9 | 43.4 | -23.3 | 0 | 0 | 0 | 115.4 | ||||
| 97 | S | 24.3 | Very low | 27.7 | Very low | 124 Ų | 124 | 133.1 Ų | 133.1 | 87% | 0.867 | 79% | 0.786 | S | S | * | * | trans | 65.4 | 162.4 | 160.7 | -58.8 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 98 | G | 23.6 | Very low | 27.6 | Very low | 69 Ų | 69 | 135 Ų | 135 | 71% | 0.711 | 79% | 0.793 | S | S | * | * | cis | 160.6 | 169.1 | -4.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 99 | L | 26.6 | Very low | 27.6 | Very low | 155 Ų | 155 | 133.9 Ų | 133.9 | 81% | 0.812 | 79% | 0.792 | S | S | * | * | trans | 70.2 | 111.8 | 171.3 | -113.2 | 72.7 | 0 | 0 | 0 | 120.5 | ||||
| 100 | Q | 26.3 | Very low | 27.7 | Very low | 163 Ų | 163 | 136.2 Ų | 136.2 | 76% | 0.762 | 80% | 0.799 | S | S | * | * | 26.4 | 125 | 128.7 | -51.9 | 175.7 | 19 | 0 | 0 | 120.9 | |||||
| 101 | K | 27.5 | Very low | 27.8 | Very low | 185 Ų | 185 | 135.5 Ų | 135.5 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | -174.8 | 179.9 | 102.8 | -107.9 | -178.2 | 173.6 | 178 | 0 | 113.2 | |||||
| 102 | L | 24.3 | Very low | 28 | Very low | 161 Ų | 161 | 133.7 Ų | 133.7 | 84% | 0.843 | 80% | 0.798 | S | S | * | * | trans | -14.8 | 150.6 | 170.2 | -74.8 | 65.8 | 0 | 0 | 0 | 117 | ||||
| 103 | G | 25 | Very low | 28.3 | Very low | 74 Ų | 74 | 131.7 Ų | 131.7 | 76% | 0.763 | 80% | 0.796 | S | S | * | * | cis | 165.7 | 173.4 | 10.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 104 | A | 24.8 | Very low | 28 | Very low | 98 Ų | 98 | 135 Ų | 135 | 81% | 0.81 | 80% | 0.801 | S | S | * | * | trans | -73 | 140.5 | -170 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 105 | Q | 28 | Very low | 28.7 | Very low | 195 Ų | 195 | 137.6 Ų | 137.6 | 91% | 0.911 | 80% | 0.8 | S | S | * | * | trans | -130.5 | 141.1 | 135.3 | -71.9 | -158.1 | 45.7 | 0 | 0 | 109.2 | ||||
| 106 | T | 27.9 | Very low | 28.7 | Very low | 128 Ų | 128 | 134.8 Ų | 134.8 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 155.5 | -177.9 | 38.9 | 0 | 0 | 0 | 0 | 112.2 | ||
| 107 | P | 30.2 | Very low | 28.5 | Very low | 121 Ų | 121 | 137.3 Ų | 137.3 | 79% | 0.786 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -70 | 148.9 | -178.7 | 30 | -36.4 | 0 | 0 | 0 | 112.6 | ||
| 108 | V | 26.5 | Very low | 29 | Very low | 135 Ų | 135 | 138.7 Ų | 138.7 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 125.7 | 164.8 | 175.6 | 0 | 0 | 0 | 0 | 109 | ||
| 109 | T | 25.6 | Very low | 29.5 | Very low | 131 Ų | 131 | 144.1 Ų | 144.1 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 128 | 175.2 | -54.2 | 0 | 0 | 0 | 0 | 111.1 | ||
| 110 | I | 30 | Very low | 29.7 | Very low | 154 Ų | 154 | 142.9 Ų | 142.9 | 79% | 0.79 | 80% | 0.8 | S | S | * | * | trans | -116 | 141.2 | 158.4 | -63.4 | -178.8 | 0 | 0 | 0 | 107.7 | ||||
| 111 | S | 28.3 | Very low | 29.9 | Very low | 111 Ų | 111 | 139 Ų | 139 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | trans | -70.9 | 150.5 | -172.1 | 41.3 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 112 | A | 31.2 | Very low | 30 | Very low | 87 Ų | 87 | 139 Ų | 139 | 72% | 0.719 | 79% | 0.793 | S | S | * | * | trans | -76 | 138.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 113 | N | 32.2 | Very low | 30.3 | Very low | 150 Ų | 150 | 137.7 Ų | 137.7 | 80% | 0.802 | 79% | 0.792 | S | S | * | * | 173.9 | 79.7 | 127.4 | -87.1 | -18.2 | 0 | 0 | 0 | 112.1 | |||||
| 114 | Q | 33 | Very low | 30.7 | Very low | 182 Ų | 182 | 140 Ų | 140 | 85% | 0.85 | 80% | 0.797 | S | S | * | * | trans | -170.4 | 142.6 | 154.7 | -110 | 147.9 | 102.8 | 0 | 0 | 110.7 | ||||
| 115 | I | 37.2 | Very low | 30.8 | Very low | 155 Ų | 155 | 142.7 Ų | 142.7 | 80% | 0.795 | 80% | 0.798 | S | S | * | * | trans | -135.6 | 130.5 | 169.6 | -62 | 178.6 | 0 | 0 | 0 | 107.2 | ||||
| 116 | I | 34.2 | Very low | 30.9 | Very low | 146 Ų | 146 | 141.3 Ų | 141.3 | 75% | 0.749 | 80% | 0.796 | S | S | * | * | trans | -116 | 123.7 | 174.8 | -61.5 | 176.1 | 0 | 0 | 0 | 107.8 | ||||
| 117 | L | 31.8 | Very low | 30.9 | Very low | 160 Ų | 160 | 143.9 Ų | 143.9 | 84% | 0.838 | 80% | 0.796 | S | S | * | * | trans | -101.8 | 102.9 | 178.9 | -82.7 | 159.5 | 0 | 0 | 0 | 110.2 | ||||
| 118 | N | 34.2 | Very low | 30.8 | Very low | 152 Ų | 152 | 145.9 Ų | 145.9 | 81% | 0.813 | 80% | 0.799 | S | S | * | * | trans | -79.5 | 117.6 | 168 | -100 | -2 | 0 | 0 | 0 | 110.1 | V120 | N118-V120 PolarHBondContact O-N 2.92Š| ||
| 119 | K | 34.4 | Very low | 30.7 | Very low | 183 Ų | 183 | 142.8 Ų | 142.8 | 80% | 0.796 | 79% | 0.794 | S | S | * | * | trans | -85.7 | 105.5 | 176.8 | -178.4 | -176.9 | 176.2 | -177.1 | 0 | 110.5 | S121 | K119-S121 PolarHBondContact O-N 3.05Š| ||
| 120 | V | 31.3 | Very low | 30.8 | Very low | 129 Ų | 129 | 144.1 Ų | 144.1 | 78% | 0.782 | 80% | 0.797 | S | S | * | * | trans | -73.8 | 121.4 | 166.6 | 179.9 | 0 | 0 | 0 | 0 | 108.8 | N118 | N118-V120 PolarHBondContact O-N 2.92Š| ||
| 121 | S | 30.6 | Very low | 30.8 | Very low | 82 Ų | 82 | 144.9 Ų | 144.9 | 57% | 0.573 | 80% | 0.797 | S | S | * | * | trans | -113.9 | 125.4 | 169.2 | -55.3 | 0 | 0 | 0 | 0 | 108.3 | K119 | K119-S121 PolarHBondContact O-N 3.05Š| ||
| 122 | Q | 29.2 | Very low | 30.6 | Very low | 184 Ų | 184 | 145.2 Ų | 145.2 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | trans | -101.8 | 110.2 | 170.4 | -70.6 | -175 | 3.3 | 0 | 0 | 109.6 | ||||
| 123 | T | 30.8 | Very low | 30.4 | Very low | 134 Ų | 134 | 147.9 Ų | 147.9 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | trans | -148.7 | 137.4 | 162.1 | 45 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 124 | S | 32.4 | Very low | 30.2 | Very low | 123 Ų | 123 | 149.7 Ų | 149.7 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | trans | -75.7 | 156.6 | -165.5 | -44 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 125 | D | 28.1 | Very low | 30.6 | Very low | 155 Ų | 155 | 146.9 Ų | 146.9 | 83% | 0.829 | 79% | 0.794 | S | S | * | * | trans | -58.2 | 149.7 | 171.3 | -85.5 | -86.8 | 0 | 0 | 0 | 115.2 | ||||
| 126 | L | 30.2 | Very low | 30.2 | Very low | 165 Ų | 165 | 147.5 Ų | 147.5 | 86% | 0.864 | 80% | 0.799 | S | S | * | * | -162.6 | 117 | 124 | -105.4 | 168.5 | 0 | 0 | 0 | 111.9 | |||||
| 127 | K | 28.5 | Very low | 30 | Very low | 182 Ų | 182 | 143.4 Ų | 143.4 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | trans | 10.9 | 144.7 | 148.7 | -90.9 | 178 | 179.6 | 176.9 | 0 | 119.6 | ||||
| 128 | L | 26.6 | Very low | 29.9 | Very low | 164 Ų | 164 | 145.4 Ų | 145.4 | 86% | 0.859 | 80% | 0.798 | S | S | * | * | cis | -168 | 150.5 | 18.8 | 176.7 | 68.6 | 0 | 0 | 0 | 108.9 | ||||
| 129 | G | 25.2 | Very low | 29.7 | Very low | 69 Ų | 69 | 146.5 Ų | 146.5 | 71% | 0.711 | 80% | 0.795 | S | S | * | * | trans | -176.6 | 5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 126.7 | ||||
| 130 | N | 27.6 | Very low | 29.3 | Very low | 159 Ų | 159 | 146.4 Ų | 146.4 | 85% | 0.85 | 80% | 0.803 | S | S | * | * | trans | 62.8 | 137.8 | 165.3 | -87.5 | -24.9 | 0 | 0 | 0 | 122.6 | ||||
| 131 | Q | 29.1 | Very low | 29.3 | Very low | 171 Ų | 171 | 146.5 Ų | 146.5 | 80% | 0.799 | 80% | 0.797 | S | S | * | * | trans | 72.9 | 119 | 161.6 | -63.1 | -162.3 | 107.8 | 0 | 0 | 118.3 | ||||
| 132 | T | 25.4 | Very low | 29 | Very low | 117 Ų | 117 | 150.9 Ų | 150.9 | 72% | 0.718 | 81% | 0.813 | S | S | * | * | 82.7 | 114.9 | 59.8 | -66.6 | 0 | 0 | 0 | 0 | 110 | |||||
| 133 | L | 26.8 | Very low | 29.2 | Very low | 143 Ų | 143 | 148 Ų | 148 | 75% | 0.749 | 81% | 0.808 | S | S | * | * | cis | -151.7 | 155.3 | 21.4 | -114.9 | 160.3 | 0 | 0 | 0 | 114 | ||||
| 134 | K | 28.5 | Very low | 29.1 | Very low | 189 Ų | 189 | 147.7 Ų | 147.7 | 82% | 0.822 | 81% | 0.807 | S | S | * | * | trans | 17.1 | 152.5 | 157.3 | -79.4 | 177 | -179.2 | -178.3 | 0 | 124.3 | ||||
| 135 | P | 40.8 | Very low | 28.9 | Very low | 123 Ų | 123 | 150.3 Ų | 150.3 | 80% | 0.799 | 81% | 0.81 | S | S | * | * | trans | -96.2 | 163.5 | 178.5 | 40.2 | -35.8 | 0 | 0 | 0 | 114.5 | ||||
| 136 | D | 27.9 | Very low | 29.1 | Very low | 167 Ų | 167 | 146.4 Ų | 146.4 | 89% | 0.893 | 81% | 0.806 | S | S | * | * | trans | -137.7 | 163.3 | 146.2 | -152.4 | -27.5 | 0 | 0 | 0 | 108.1 | ||||
| 137 | G | 31.5 | Very low | 29.1 | Very low | 60 Ų | 60 | 148.2 Ų | 148.2 | 62% | 0.619 | 81% | 0.807 | S | S | * | * | trans | -146.5 | 156 | -171 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 138 | Q | 29 | Very low | 29.3 | Very low | 203 Ų | 203 | 145.4 Ų | 145.4 | 95% | 0.949 | 81% | 0.81 | S | S | * | * | trans | -139.9 | 145.6 | 176.1 | -137 | 155.6 | 66.1 | 0 | 0 | 112.7 | ||||
| 139 | K | 29.3 | Very low | 30 | Very low | 174 Ų | 174 | 141.5 Ų | 141.5 | 76% | 0.757 | 81% | 0.81 | S | S | * | * | trans | -75 | 147.4 | -170.1 | -63.8 | 177.3 | 178.3 | 176.8 | 0 | 111.9 | I141 | K139-I141 HydrophobicContact CB-CG1 4.49Å; K139-I141 HydrophobicContact CD-CD1 4.41Å | ||
| 140 | L | 25.9 | Very low | 30.5 | Very low | 182 Ų | 182 | 143 Ų | 143 | 95% | 0.953 | 81% | 0.81 | S | S | * | * | trans | -116.5 | 136.9 | 143.9 | -74.8 | 170.9 | 0 | 0 | 0 | 108.6 | ||||
| 141 | I | 31.2 | Very low | 30.7 | Very low | 130 Ų | 130 | 141.4 Ų | 141.4 | 67% | 0.667 | 81% | 0.807 | S | S | * | * | trans | -114.4 | 134.3 | 179.2 | -61.1 | 173.7 | 0 | 0 | 0 | 106.9 | K139 | K139-I141 HydrophobicContact CB-CG1 4.49Å; K139-I141 HydrophobicContact CD-CD1 4.41Å | ||
| 142 | L | 25.3 | Very low | 30.8 | Very low | 174 Ų | 174 | 140.3 Ų | 140.3 | 91% | 0.911 | 81% | 0.806 | S | S | * | * | trans | -137.2 | 117.1 | 168.8 | -156.2 | 74.1 | 0 | 0 | 0 | 109.9 | ||||
| 143 | T | 33 | Very low | 31.1 | Very low | 123 Ų | 123 | 141.2 Ų | 141.2 | 76% | 0.755 | 81% | 0.811 | S | S | * | * | trans | -92.2 | 140.4 | -177.4 | -53 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 144 | T | 29.5 | Very low | 31.1 | Very low | 128 Ų | 128 | 142 Ų | 142 | 79% | 0.785 | 82% | 0.815 | S | S | * | * | trans | -104.8 | 137 | 170.8 | 50.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 145 | L | 28.5 | Very low | 31.1 | Very low | 179 Ų | 179 | 137.4 Ų | 137.4 | 94% | 0.937 | 81% | 0.812 | S | S | * | * | trans | -134.9 | 145 | 159.3 | -140.9 | 76.3 | 0 | 0 | 0 | 107.5 | ||||
| 146 | G | 31 | Very low | 30.6 | Very low | 72 Ų | 72 | 138.9 Ų | 138.9 | 74% | 0.742 | 81% | 0.812 | S | S | * | * | trans | -106 | -175.3 | -156.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 147 | K | 30.9 | Very low | 30.8 | Very low | 204 Ų | 204 | 136.7 Ų | 136.7 | 89% | 0.887 | 81% | 0.807 | S | S | * | * | trans | 89.9 | 88.8 | 175.4 | -57.3 | -178.3 | 179.7 | 177.8 | 0 | 116.9 | ||||
| 148 | S | 33 | Very low | 30.8 | Very low | 123 Ų | 123 | 142.1 Ų | 142.1 | 86% | 0.86 | 82% | 0.816 | S | S | * | * | trans | 42.1 | 118.2 | 136.7 | 58 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 149 | G | 41.6 | Very low | 30.7 | Very low | 82 Ų | 82 | 138.4 Ų | 138.4 | 85% | 0.845 | 81% | 0.813 | S | S | * | * | trans | -178.1 | -21.3 | 163.6 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 150 | S | 34 | Very low | 30.6 | Very low | 101 Ų | 101 | 139 Ų | 139 | 71% | 0.706 | 82% | 0.818 | S | S | * | * | trans | -155.4 | 155.6 | -170.7 | 51.4 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 151 | P | 32 | Very low | 30.6 | Very low | 124 Ų | 124 | 138.1 Ų | 138.1 | 81% | 0.805 | 81% | 0.814 | S | S | * | * | trans | -80 | 139.6 | 176.1 | 32.4 | -33.9 | 0 | 0 | 0 | 111.8 | ||||
| 152 | I | 32.7 | Very low | 31.2 | Very low | 149 Ų | 149 | 136.9 Ų | 136.9 | 76% | 0.764 | 81% | 0.814 | S | S | * | * | trans | -106 | 124.1 | 174.7 | -60.8 | 175.6 | 0 | 0 | 0 | 108.8 | ||||
| 153 | V | 31.2 | Very low | 31.4 | Very low | 136 Ų | 136 | 138 Ų | 138 | 82% | 0.824 | 82% | 0.815 | S | S | * | * | trans | -88 | 124.9 | 173.3 | 178.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 154 | L | 26.4 | Very low | 31.2 | Very low | 158 Ų | 158 | 136.5 Ų | 136.5 | 83% | 0.827 | 82% | 0.815 | S | S | * | * | trans | -103.4 | 109.8 | 174.8 | -76 | 164.7 | 0 | 0 | 0 | 109.8 | ||||
| 155 | A | 27.8 | Very low | 31.3 | Very low | 93 Ų | 93 | 139.6 Ų | 139.6 | 77% | 0.769 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -88.6 | 131.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 156 | L | 30.6 | Very low | 31.3 | Very low | 154 Ų | 154 | 140 Ų | 140 | 81% | 0.806 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -91.4 | 125.5 | 175.4 | -78.7 | 146.7 | 0 | 0 | 0 | 110.3 | ||
| 157 | P | 32 | Very low | 31 | Very low | 121 Ų | 121 | 142.4 Ų | 142.4 | 79% | 0.786 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 136 | 171.4 | 29.8 | -33.2 | 0 | 0 | 0 | 110.3 | ||
| 158 | H | 31.7 | Very low | 31 | Very low | 175 Ų | 175 | 138.2 Ų | 138.2 | 81% | 0.81 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -86.7 | 133.3 | 171.6 | -82.7 | 52.2 | 0 | 0 | 0 | 110.6 | ||
| 159 | S | 27.5 | Very low | 30.8 | Very low | 125 Ų | 125 | 138 Ų | 138 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 128.6 | 167.1 | -58.6 | 0 | 0 | 0 | 0 | 110.3 | ||
| 160 | Q | 27.4 | Very low | 30.2 | Very low | 186 Ų | 186 | 142.6 Ų | 142.6 | 87% | 0.869 | 80% | 0.799 | S | S | * | * | trans | -136.9 | 143.8 | 167.3 | -78.4 | -167.4 | -23.9 | 0 | 0 | 111 | ||||
| 161 | L | 25.8 | Very low | 30 | Very low | 164 Ų | 164 | 141.8 Ų | 141.8 | 86% | 0.859 | 80% | 0.799 | S | S | * | * | trans | -168.9 | 149.7 | -176 | -161.1 | 132.6 | 0 | 0 | 0 | 107.8 | ||||
| 162 | P | 43.3 | Very low | 29.8 | Very low | 103 Ų | 103 | 144.5 Ų | 144.5 | 67% | 0.669 | 80% | 0.801 | S | S | * | * | cis | -121.5 | 174.5 | -23.4 | 38.7 | -25.4 | 0 | 0 | 0 | 112.7 | ||||
| 163 | Q | 28.7 | Very low | 29.5 | Very low | 199 Ų | 199 | 143.6 Ų | 143.6 | 93% | 0.93 | 81% | 0.807 | S | S | * | * | -162.4 | 168.5 | 129.4 | -110.9 | 172.7 | 18.5 | 0 | 0 | 111 | |||||
| 164 | A | 28.7 | Very low | 29.3 | Very low | 91 Ų | 91 | 140.4 Ų | 140.4 | 75% | 0.752 | 80% | 0.802 | S | S | * | * | trans | -140.2 | 145.5 | -154.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 165 | Q | 32.4 | Very low | 30.1 | Very low | 192 Ų | 192 | 141 Ų | 141 | 90% | 0.897 | 81% | 0.806 | S | S | * | * | trans | -169.4 | 118 | 152.3 | -98.5 | 154.2 | 27.1 | 0 | 0 | 105.8 | ||||
| 166 | K | 29 | Very low | 30.2 | Very low | 188 Ų | 188 | 140.6 Ų | 140.6 | 82% | 0.817 | 80% | 0.803 | S | S | * | * | 96.3 | 94.1 | 59.3 | -172.4 | -176.6 | 177.7 | -174.4 | 0 | 112.6 | |||||
| 167 | V | 25.4 | Very low | 30.1 | Very low | 122 Ų | 122 | 141.8 Ų | 141.8 | 74% | 0.739 | 80% | 0.802 | S | S | * | * | trans | 41.2 | 120.6 | 133.3 | -167.4 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 168 | T | 29 | Very low | 29.9 | Very low | 117 Ų | 117 | 142.8 Ų | 142.8 | 72% | 0.718 | 80% | 0.799 | S | S | * | * | -163 | 160.3 | 55.4 | -23.7 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 169 | T | 28.8 | Very low | 30 | Very low | 117 Ų | 117 | 140 Ų | 140 | 72% | 0.718 | 80% | 0.797 | S | S | * | * | trans | -8.9 | 153.5 | 157.7 | 55 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 170 | Q | 29.9 | Very low | 30.4 | Very low | 179 Ų | 179 | 138.3 Ų | 138.3 | 84% | 0.836 | 78% | 0.783 | S | S | * | * | cis | -165.6 | 149.3 | 25.9 | -138.6 | 170.8 | 20.1 | 0 | 0 | 114.3 | ||||
| 171 | A | 29.2 | Very low | 30.5 | Very low | 85 Ų | 85 | 137.7 Ų | 137.7 | 70% | 0.702 | 78% | 0.78 | S | S | * | * | trans | 54.3 | 114.5 | 147.2 | 0 | 0 | 0 | 0 | 0 | 125.4 | ||||
| 172 | Q | 27.8 | Very low | 30.8 | Very low | 181 Ų | 181 | 139 Ų | 139 | 85% | 0.846 | 78% | 0.782 | S | S | * | * | trans | 76.3 | 138.6 | 137 | -67 | -169.4 | -1.8 | 0 | 0 | 123.8 | ||||
| 173 | S | 27.5 | Very low | 30.2 | Very low | 129 Ų | 129 | 142 Ų | 142 | 90% | 0.902 | 79% | 0.791 | S | S | * | * | trans | 63.5 | 156.1 | 171.3 | 73.4 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 174 | G | 26.9 | Very low | 30.1 | Very low | 70 Ų | 70 | 141.8 Ų | 141.8 | 72% | 0.722 | 79% | 0.787 | S | S | * | * | cis | 169.5 | 115.2 | -7.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 175 | D | 43.6 | Very low | 29.9 | Very low | 170 Ų | 170 | 143.7 Ų | 143.7 | 91% | 0.909 | 79% | 0.788 | S | S | * | * | trans | 22.2 | 95.9 | 173.3 | -130.8 | -59.8 | 0 | 0 | 0 | 120.5 | ||||
| 176 | A | 28.3 | Very low | 29.7 | Very low | 84 Ų | 84 | 140.1 Ų | 140.1 | 69% | 0.694 | 78% | 0.779 | S | S | * | * | trans | -146.6 | 132.6 | 152.2 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 177 | K | 30.1 | Very low | 29.7 | Very low | 180 Ų | 180 | 137.9 Ų | 137.9 | 78% | 0.783 | 78% | 0.782 | S | S | * | * | cis | 71.1 | 147 | 37.9 | -156.4 | -171.2 | 177.6 | 178.5 | 0 | 112.9 | ||||
| 178 | L | 26.3 | Very low | 30 | Very low | 141 Ų | 141 | 139.6 Ų | 139.6 | 74% | 0.738 | 79% | 0.785 | S | S | * | * | trans | 94.6 | 159.7 | 168.1 | -49.5 | 178.3 | 0 | 0 | 0 | 115.1 | ||||
| 179 | P | 34.3 | Very low | 29.9 | Very low | 117 Ų | 117 | 137.8 Ų | 137.8 | 76% | 0.76 | 79% | 0.79 | S | S | * | * | -135.7 | -103.4 | -96.6 | 28.4 | -0.4 | 0 | 0 | 0 | 119.1 | |||||
| 180 | P | 37 | Very low | 29.8 | Very low | 90 Ų | 90 | 136 Ų | 136 | 58% | 0.584 | 79% | 0.794 | S | S | * | * | -130.9 | -157.6 | -122.2 | 41.8 | -19.6 | 0 | 0 | 0 | 114.9 | |||||
| 181 | Q | 28.6 | Very low | 29.7 | Very low | 173 Ų | 173 | 138.6 Ų | 138.6 | 81% | 0.808 | 80% | 0.796 | S | S | * | * | trans | 68.5 | 106.5 | 164.2 | -65.3 | 159.9 | 6.9 | 0 | 0 | 115 | ||||
| 182 | Q | 32.6 | Very low | 30.3 | Very low | 190 Ų | 190 | 140 Ų | 140 | 89% | 0.888 | 80% | 0.799 | S | S | * | * | 59.5 | 95.8 | 53.9 | -61.6 | -166.6 | -10.1 | 0 | 0 | 116.1 | |||||
| 183 | I | 30.9 | Very low | 30.3 | Very low | 168 Ų | 168 | 139.9 Ų | 139.9 | 86% | 0.862 | 80% | 0.798 | S | S | * | * | trans | -137.2 | 144.3 | 147.6 | -63.2 | -172.6 | 0 | 0 | 0 | 109.8 | ||||
| 184 | K | 26.3 | Very low | 30.3 | Very low | 194 Ų | 194 | 139.2 Ų | 139.2 | 84% | 0.843 | 79% | 0.788 | S | S | * | * | trans | -25 | 158.4 | 172.5 | -60.9 | 172.2 | -179.5 | 174.6 | 0 | 117.4 | ||||
| 185 | V | 25.2 | Very low | 30.7 | Very low | 130 Ų | 130 | 145.5 Ų | 145.5 | 79% | 0.788 | 80% | 0.796 | S | S | * | * | -157 | 130.4 | 58.8 | 163.6 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 186 | V | 27.1 | Very low | 30.3 | Very low | 117 Ų | 117 | 142.7 Ų | 142.7 | 71% | 0.709 | 79% | 0.787 | S | S | * | * | trans | 47.1 | 119.6 | 150.7 | -180 | 0 | 0 | 0 | 0 | 122 | I188 | V186-I188 HydrophobicContact CG1-CG1 4.18Š| ||
| 187 | T | 30.2 | Very low | 30.2 | Very low | 141 Ų | 141 | 144.8 Ų | 144.8 | 87% | 0.865 | 79% | 0.791 | S | S | * | * | -125.4 | 152.7 | 127 | -55 | 0 | 0 | 0 | 0 | 108 | |||||
| 188 | I | 30.1 | Very low | 30.1 | Very low | 158 Ų | 158 | 144.2 Ų | 144.2 | 81% | 0.81 | 79% | 0.794 | S | S | * | * | trans | -86.9 | 117.5 | -170.7 | -62.1 | 171.7 | 0 | 0 | 0 | 112.3 | V186 | V186-I188 HydrophobicContact CG1-CG1 4.18Š| ||
| 189 | G | 27.2 | Very low | 30.1 | Very low | 80 Ų | 80 | 140.8 Ų | 140.8 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | trans | 72.3 | 140.9 | 162.3 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 190 | G | 27 | Very low | 29.8 | Very low | 78 Ų | 78 | 141.4 Ų | 141.4 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | cis | -176.1 | 114 | -8.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 191 | R | 27.9 | Very low | 29.3 | Very low | 234 Ų | 234 | 142.7 Ų | 142.7 | 88% | 0.883 | 81% | 0.806 | S | S | * | * | trans | 17.9 | 132.5 | 168.7 | -83.4 | -167.1 | 177.8 | -171.7 | -0 | 122.7 | ||||
| 192 | P | 40.6 | Very low | 29.3 | Very low | 116 Ų | 116 | 138.4 Ų | 138.4 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | trans | -99.3 | -169.3 | 138.6 | 38.9 | -32 | 0 | 0 | 0 | 112.9 | ||||
| 193 | E | 27.9 | Very low | 29.1 | Very low | 178 Ų | 178 | 137.5 Ų | 137.5 | 83% | 0.832 | 80% | 0.8 | S | S | * | * | trans | 71.4 | 150.9 | -178.3 | -63.4 | -124.5 | 100.4 | 0 | 0 | 115.6 | ||||
| 194 | V | 28.7 | Very low | 29.1 | Very low | 115 Ų | 115 | 135.6 Ų | 135.6 | 70% | 0.697 | 80% | 0.797 | S | S | * | * | cis | -157.6 | 158.5 | 49.1 | 162.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 195 | K | 34.6 | Very low | 29.9 | Very low | 202 Ų | 202 | 132.4 Ų | 132.4 | 88% | 0.878 | 80% | 0.796 | S | S | * | * | trans | -92.8 | 136.6 | 163.4 | -81.2 | -175.6 | 175.9 | 178.8 | 0 | 113.2 | ||||
| 196 | P | 36.4 | Very low | 30 | Very low | 110 Ų | 110 | 129.1 Ų | 129.1 | 71% | 0.714 | 79% | 0.788 | S | S | * | * | trans | -143.3 | 125.2 | 144.3 | 33.6 | -16.1 | 0 | 0 | 0 | 116.3 | ||||
| 197 | V | 26.1 | Very low | 30.3 | Very low | 128 Ų | 128 | 128.6 Ų | 128.6 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | 35.2 | 128.6 | 123.5 | -177 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 198 | I | 27.8 | Very low | 30.3 | Very low | 168 Ų | 168 | 129.3 Ų | 129.3 | 86% | 0.862 | 78% | 0.783 | S | S | * | * | trans | 72.4 | 132.1 | 162.8 | -70 | 163 | 0 | 0 | 0 | 117.7 | ||||
| 199 | G | 24.8 | Very low | 30.3 | Very low | 69 Ų | 69 | 128.4 Ų | 128.4 | 71% | 0.711 | 78% | 0.779 | S | S | * | * | trans | 170.1 | 26.8 | 175 | 0 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 200 | V | 28 | Very low | 30.4 | Very low | 130 Ų | 130 | 131.6 Ų | 131.6 | 79% | 0.788 | 78% | 0.775 | S | S | * | * | trans | 39.9 | 121.7 | 153.9 | -176.9 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 201 | S | 27.6 | Very low | 30.4 | Very low | 118 Ų | 118 | 134.6 Ų | 134.6 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | trans | 72.2 | 156.3 | 156.9 | -64.7 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 202 | A | 28.4 | Very low | 30.5 | Very low | 82 Ų | 82 | 129.6 Ų | 129.6 | 68% | 0.678 | 77% | 0.769 | S | S | * | * | cis | -148.3 | 165.5 | 13.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 203 | L | 28.8 | Very low | 29.9 | Very low | 171 Ų | 171 | 129.4 Ų | 129.4 | 90% | 0.895 | 77% | 0.766 | S | S | * | * | trans | 70.5 | 94.8 | 151.1 | -68.8 | 161.9 | 0 | 0 | 0 | 122.1 | ||||
| 204 | T | 31.5 | Very low | 30.1 | Very low | 129 Ų | 129 | 127.3 Ų | 127.3 | 79% | 0.791 | 77% | 0.765 | S | S | * | * | trans | -65.9 | -179.6 | 134.5 | 22 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 205 | P | 42.8 | Very low | 30.1 | Very low | 127 Ų | 127 | 130.2 Ų | 130.2 | 83% | 0.825 | 77% | 0.771 | S | S | * | * | cis | -128.9 | -173.6 | 15.5 | 39.9 | -20.2 | 0 | 0 | 0 | 114.8 | ||||
| 206 | G | 27.3 | Very low | 30.9 | Very low | 60 Ų | 60 | 125.3 Ų | 125.3 | 62% | 0.619 | 76% | 0.76 | S | S | * | * | cis | -156.2 | 174 | 5.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 207 | S | 32.3 | Very low | 30.5 | Very low | 107 Ų | 107 | 125 Ų | 125 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | 62.5 | 129.3 | 86.8 | -66.2 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 208 | Q | 29.9 | Very low | 30.6 | Very low | 156 Ų | 156 | 125 Ų | 125 | 73% | 0.729 | 76% | 0.761 | S | S | * | * | cis | -139.5 | 146.2 | 10.9 | -71.2 | -59.7 | 29.3 | 0 | 0 | 110 | ||||
| 209 | L | 29.8 | Very low | 30.6 | Very low | 138 Ų | 138 | 123.9 Ų | 123.9 | 72% | 0.723 | 76% | 0.755 | S | S | * | * | 92.2 | 146 | 61.2 | -135.4 | -163.5 | 0 | 0 | 0 | 113.3 | |||||
| 210 | I | 31 | Very low | 31 | Very low | 147 Ų | 147 | 128.5 Ų | 128.5 | 75% | 0.754 | 76% | 0.758 | S | S | * | * | trans | 99.4 | 140.8 | 163.3 | -53.3 | 170.1 | 0 | 0 | 0 | 117.9 | ||||
| 211 | N | 26.9 | Very low | 31 | Very low | 142 Ų | 142 | 128.2 Ų | 128.2 | 76% | 0.759 | 76% | 0.757 | S | S | * | * | trans | -94 | -168.5 | -172.1 | -67.2 | -28.5 | 0 | 0 | 0 | 113.7 | ||||
| 212 | T | 28.8 | Very low | 31.3 | Very low | 128 Ų | 128 | 130.2 Ų | 130.2 | 79% | 0.785 | 75% | 0.754 | S | S | * | * | trans | 88.3 | 151.9 | 156.9 | 74.4 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 213 | T | 28.3 | Very low | 31.5 | Very low | 113 Ų | 113 | 133.1 Ų | 133.1 | 69% | 0.693 | 75% | 0.753 | S | S | * | * | cis | -168.2 | 172.7 | -23.5 | -88.3 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 214 | T | 32 | Very low | 31.6 | Very low | 134 Ų | 134 | 133.1 Ų | 133.1 | 82% | 0.822 | 75% | 0.753 | S | S | * | * | trans | 75 | 113.1 | 161.5 | 23.6 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 215 | Q | 29.3 | Very low | 31.8 | Very low | 176 Ų | 176 | 135.7 Ų | 135.7 | 82% | 0.822 | 75% | 0.753 | S | S | * | * | trans | -37.3 | 179.6 | 138 | -90.8 | -165.6 | 24.8 | 0 | 0 | 117.5 | ||||
| 216 | P | 50.5 | Low | 31.2 | Very low | 98 Ų | 98 | 136.1 Ų | 136.1 | 64% | 0.636 | 75% | 0.754 | S | S | * | * | cis | -143.2 | -166.2 | -14.4 | 31.8 | -8 | 0 | 0 | 0 | 116.2 | ||||
| 217 | S | 28 | Very low | 31.5 | Very low | 103 Ų | 103 | 139.1 Ų | 139.1 | 72% | 0.72 | 76% | 0.76 | S | S | * | * | trans | 80.4 | 121.1 | 151.1 | -60 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 218 | V | 28.8 | Very low | 31.2 | Very low | 130 Ų | 130 | 142.1 Ų | 142.1 | 79% | 0.788 | 76% | 0.762 | S | S | * | * | 82.5 | 107.2 | 51.5 | -176.5 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 219 | L | 28.7 | Very low | 31.3 | Very low | 143 Ų | 143 | 142 Ų | 142 | 75% | 0.749 | 77% | 0.765 | S | S | * | * | trans | 168.9 | 145.2 | 133.6 | -94.8 | 156.8 | 0 | 0 | 0 | 115.3 | ||||
| 220 | Q | 32.1 | Very low | 31.3 | Very low | 166 Ų | 166 | 139.7 Ų | 139.7 | 78% | 0.776 | 77% | 0.766 | S | S | * | * | trans | 41.3 | 140.9 | 153.9 | -71 | 164.7 | -6.8 | 0 | 0 | 122.1 | ||||
| 221 | T | 29.2 | Very low | 31.2 | Very low | 124 Ų | 124 | 142.3 Ų | 142.3 | 76% | 0.761 | 77% | 0.772 | S | S | * | * | cis | 103.2 | 137 | 20.5 | -56.1 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 222 | Q | 33.1 | Very low | 31.4 | Very low | 161 Ų | 161 | 144.8 Ų | 144.8 | 75% | 0.752 | 78% | 0.776 | S | S | * | * | trans | 84 | 154.5 | 176.8 | -52.3 | -159.5 | 75.5 | 0 | 0 | 116.9 | ||||
| 223 | Q | 32.9 | Very low | 31.9 | Very low | 143 Ų | 143 | 144.1 Ų | 144.1 | 67% | 0.668 | 77% | 0.774 | S | S | * | * | cis | -168.9 | 157.1 | -25.7 | -105.7 | -157.5 | 69.1 | 0 | 0 | 108.4 | ||||
| 224 | L | 29.6 | Very low | 31.8 | Very low | 171 Ų | 171 | 150.4 Ų | 150.4 | 90% | 0.895 | 78% | 0.784 | S | S | * | * | trans | -170.3 | 174.1 | 137.4 | -127.9 | 68.8 | 0 | 0 | 0 | 114.2 | ||||
| 225 | K | 35.7 | Very low | 31.8 | Very low | 182 Ų | 182 | 149.9 Ų | 149.9 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | trans | -147.6 | 166.8 | -174.1 | -97.4 | -177.9 | 174.7 | 176.2 | 0 | 112.7 | ||||
| 226 | T | 31.8 | Very low | 32.7 | Very low | 137 Ų | 137 | 147 Ų | 147 | 84% | 0.84 | 78% | 0.778 | S | S | * | * | trans | 112.1 | 150.7 | 162.2 | -50.7 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 227 | V | 32.1 | Very low | 31.7 | Very low | 123 Ų | 123 | 148.9 Ų | 148.9 | 75% | 0.745 | 79% | 0.788 | S | S | * | * | -172.5 | 165.6 | -55.8 | 131.7 | 0 | 0 | 0 | 0 | 111 | |||||
| 228 | Q | 27.6 | Very low | 31.8 | Very low | 169 Ų | 169 | 149.6 Ų | 149.6 | 79% | 0.79 | 79% | 0.793 | S | S | * | * | trans | 98.6 | 145.6 | -179.3 | -58.7 | -169.5 | 99.5 | 0 | 0 | 115.7 | ||||
| 229 | I | 30.8 | Very low | 31.8 | Very low | 153 Ų | 153 | 146.2 Ų | 146.2 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | cis | 93.7 | 132.5 | 17.5 | -59.4 | 164.7 | 0 | 0 | 0 | 113.2 | ||||
| 230 | A | 29.5 | Very low | 32.6 | Very low | 90 Ų | 90 | 145.8 Ų | 145.8 | 74% | 0.744 | 79% | 0.79 | S | S | * | * | cis | -119.1 | -122.8 | 8 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 231 | K | 29 | Very low | 32.5 | Very low | 203 Ų | 203 | 144.1 Ų | 144.1 | 88% | 0.883 | 79% | 0.791 | S | S | * | * | cis | -156.8 | -158.6 | 3.7 | -146.8 | 165.5 | -174.8 | 176.1 | 0 | 111.8 | ||||
| 232 | K | 31.6 | Very low | 32.5 | Very low | 194 Ų | 194 | 144.7 Ų | 144.7 | 84% | 0.843 | 79% | 0.788 | S | S | * | * | trans | -160.1 | 171.7 | -179.1 | -109.5 | 175.3 | -177.8 | 174.2 | 0 | 109.2 | ||||
| 233 | P | 38.5 | Very low | 32.3 | Very low | 114 Ų | 114 | 143 Ų | 143 | 74% | 0.74 | 79% | 0.788 | S | S | * | * | cis | -159.6 | 170.5 | 40.8 | 45.6 | -23.3 | 0 | 0 | 0 | 122.5 | ||||
| 234 | R | 27.6 | Very low | 32 | Very low | 244 Ų | 244 | 144.7 Ų | 144.7 | 92% | 0.921 | 79% | 0.794 | S | S | * | * | trans | 70.8 | 164 | 139.9 | -91.5 | -174.7 | 175.7 | 176.8 | -0.9 | 127.2 | ||||
| 235 | T | 30.6 | Very low | 32 | Very low | 123 Ų | 123 | 143.1 Ų | 143.1 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | trans | -102.6 | -178.2 | -166.7 | 53.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 236 | P | 48.2 | Very low | 31.7 | Very low | 115 Ų | 115 | 140.6 Ų | 140.6 | 75% | 0.747 | 78% | 0.779 | S | S | * | * | cis | -144.8 | -168.3 | 44.4 | 41.5 | -16.6 | 0 | 0 | 0 | 115.6 | ||||
| 237 | T | 29.6 | Very low | 31.5 | Very low | 138 Ų | 138 | 143.3 Ų | 143.3 | 85% | 0.847 | 78% | 0.78 | S | S | * | * | cis | -130.4 | -121.7 | 13 | -37.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 238 | S | 31.6 | Very low | 31.2 | Very low | 119 Ų | 119 | 141.6 Ų | 141.6 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | cis | -152.4 | -168.3 | 5.4 | -160.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 239 | G | 28.2 | Very low | 31.3 | Very low | 59 Ų | 59 | 143.2 Ų | 143.2 | 61% | 0.608 | 78% | 0.783 | S | S | * | * | trans | -166.9 | -163.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 240 | P | 46.1 | Very low | 31.8 | Very low | 133 Ų | 133 | 141 Ų | 141 | 86% | 0.864 | 78% | 0.779 | S | S | * | * | cis | -106.3 | -114.2 | 11.2 | 34.4 | -17.8 | 0 | 0 | 0 | 115 | ||||
| 241 | V | 29.4 | Very low | 31.9 | Very low | 131 Ų | 131 | 144.3 Ų | 144.3 | 79% | 0.794 | 78% | 0.782 | S | S | * | * | cis | -143.5 | -146.9 | 15.7 | 69.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 242 | I | 29.5 | Very low | 31.8 | Very low | 137 Ų | 137 | 141.5 Ų | 141.5 | 70% | 0.703 | 78% | 0.777 | S | S | * | * | trans | -137.5 | 136.2 | -160.9 | -61.7 | 172.1 | 0 | 0 | 0 | 110 | ||||
| 243 | T | 28.3 | Very low | 31.7 | Very low | 124 Ų | 124 | 137.2 Ų | 137.2 | 76% | 0.761 | 77% | 0.771 | S | S | * | * | -171 | 126.1 | 94 | -62.3 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 244 | K | 27.4 | Very low | 31.2 | Very low | 180 Ų | 180 | 141.6 Ų | 141.6 | 78% | 0.783 | 78% | 0.779 | S | S | * | * | trans | 13.9 | 153.5 | 140.2 | -64.1 | 174 | 168.3 | -177.6 | 0 | 120.6 | ||||
| 245 | L | 28.6 | Very low | 31.2 | Very low | 137 Ų | 137 | 134.5 Ų | 134.5 | 72% | 0.717 | 77% | 0.772 | S | S | * | * | cis | -161.7 | 141.5 | 21.7 | -154.4 | 74.8 | 0 | 0 | 0 | 115.5 | ||||
| 246 | I | 30.3 | Very low | 31 | Very low | 130 Ų | 130 | 134.7 Ų | 134.7 | 67% | 0.667 | 77% | 0.773 | S | S | * | * | trans | 36.1 | 119.2 | 142.3 | -60 | 172.6 | 0 | 0 | 0 | 124.3 | ||||
| 247 | F | 27.1 | Very low | 29.9 | Very low | 193 Ų | 193 | 135.9 Ų | 135.9 | 85% | 0.846 | 78% | 0.778 | S | S | * | * | trans | 22.8 | 140 | 132.8 | -58 | -87.3 | 0 | 0 | 0 | 126.9 | ||||
| 248 | A | 26 | Very low | 29.9 | Very low | 88 Ų | 88 | 132.6 Ų | 132.6 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | trans | 87.9 | 116.3 | 130.4 | 0 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 249 | K | 30.2 | Very low | 29.7 | Very low | 202 Ų | 202 | 136 Ų | 136 | 88% | 0.878 | 78% | 0.775 | S | S | * | * | 37 | 153.8 | 112.5 | -76.6 | -179.5 | 179.9 | -179 | 0 | 121.1 | |||||
| 250 | P | 41.1 | Very low | 29.7 | Very low | 108 Ų | 108 | 138.1 Ų | 138.1 | 70% | 0.701 | 78% | 0.776 | S | S | * | * | cis | -148.6 | -170.5 | -10.3 | 40.4 | -16.9 | 0 | 0 | 0 | 117.9 | ||||
| 251 | I | 30.6 | Very low | 28.9 | Very low | 159 Ų | 159 | 137.3 Ų | 137.3 | 82% | 0.815 | 77% | 0.769 | S | S | * | * | trans | 31.8 | 124.6 | 158.4 | 50 | 165.5 | 0 | 0 | 0 | 126.3 | ||||
| 252 | N | 27.7 | Very low | 28.9 | Very low | 144 Ų | 144 | 139 Ų | 139 | 77% | 0.77 | 77% | 0.768 | S | S | * | * | 65.1 | 115.7 | 123.4 | -164.4 | 18 | 0 | 0 | 0 | 123.1 | |||||
| 253 | S | 28.3 | Very low | 28.8 | Very low | 103 Ų | 103 | 138.4 Ų | 138.4 | 72% | 0.72 | 77% | 0.771 | S | S | * | * | 158.3 | 133.6 | 107.2 | 56.9 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 254 | K | 28.9 | Very low | 28.7 | Very low | 206 Ų | 206 | 137.4 Ų | 137.4 | 90% | 0.896 | 77% | 0.769 | S | S | * | * | trans | 46.3 | 157 | 144.2 | -76.9 | -167.9 | 173.5 | -173.3 | 0 | 126.7 | ||||
| 255 | A | 26.6 | Very low | 30 | Very low | 95 Ų | 95 | 134 Ų | 134 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | trans | 85.2 | 150.3 | 166.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 256 | V | 26.8 | Very low | 30.9 | Very low | 128 Ų | 128 | 133 Ų | 133 | 78% | 0.776 | 77% | 0.767 | S | S | * | * | cis | -155.7 | 139.9 | 44.6 | 152.8 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 257 | T | 26.2 | Very low | 30.9 | Very low | 139 Ų | 139 | 132.4 Ų | 132.4 | 85% | 0.853 | 77% | 0.769 | S | S | * | * | trans | 37 | 140.2 | 155.9 | 62.8 | 0 | 0 | 0 | 0 | 128.4 | ||||
| 258 | G | 28.3 | Very low | 31.1 | Very low | 70 Ų | 70 | 131.4 Ų | 131.4 | 72% | 0.722 | 77% | 0.77 | S | S | * | * | trans | 171 | 116.1 | 142.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 259 | Q | 28.7 | Very low | 31.3 | Very low | 190 Ų | 190 | 132.1 Ų | 132.1 | 89% | 0.888 | 78% | 0.777 | S | S | * | * | 66.3 | 127.6 | 60.5 | -73.5 | -161.9 | -21.9 | 0 | 0 | 114.5 | |||||
| 260 | T | 28.1 | Very low | 31.1 | Very low | 103 Ų | 103 | 125.9 Ų | 125.9 | 63% | 0.632 | 77% | 0.769 | S | S | * | * | cis | -164.6 | 168.1 | -3.4 | -70.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 261 | T | 29.6 | Very low | 30.6 | Very low | 117 Ų | 117 | 132.3 Ų | 132.3 | 72% | 0.718 | 78% | 0.78 | S | S | * | * | trans | 69.3 | 145.9 | 159.5 | 33.7 | 0 | 0 | 0 | 0 | 120 | ||||
| 262 | Q | 28.1 | Very low | 30.5 | Very low | 167 Ų | 167 | 130.1 Ų | 130.1 | 78% | 0.78 | 77% | 0.773 | S | S | * | * | cis | -167.7 | 166.3 | -20.2 | -135.9 | -170.9 | 27.7 | 0 | 0 | 113.8 | ||||
| 263 | V | 27.2 | Very low | 30.6 | Very low | 123 Ų | 123 | 130.7 Ų | 130.7 | 75% | 0.745 | 78% | 0.776 | S | S | * | * | trans | 64.2 | 151.2 | 162.6 | -121.7 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 264 | S | 26.6 | Very low | 30.6 | Very low | 104 Ų | 104 | 130 Ų | 130 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | trans | -146.9 | -165.8 | 177.8 | -46.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 265 | P | 54.2 | Low | 30.7 | Very low | 107 Ų | 107 | 128.7 Ų | 128.7 | 70% | 0.695 | 77% | 0.768 | S | S | * | * | -103.3 | -133.8 | -74.5 | 40.7 | -24.1 | 0 | 0 | 0 | 109.3 | V267 | P265-V267 HydrophobicContact CB-CG2 4.22Å; P265-V267 HydrophobicContact CG-CG2 4.34Å | |||
| 266 | P | 48.5 | Very low | 30.7 | Very low | 117 Ų | 117 | 130 Ų | 130 | 76% | 0.76 | 77% | 0.771 | S | S | * | * | cis | -105.3 | 169.1 | 14.7 | 10.1 | 16 | 0 | 0 | 0 | 113 | ||||
| 267 | V | 30 | Very low | 30.8 | Very low | 117 Ų | 117 | 130.3 Ų | 130.3 | 71% | 0.709 | 77% | 0.773 | S | S | * | * | cis | 77.9 | 113.7 | 31.3 | -168.5 | 0 | 0 | 0 | 0 | 115.7 | P265 | P265-V267 HydrophobicContact CB-CG2 4.22Å; P265-V267 HydrophobicContact CG-CG2 4.34Å | ||
| 268 | I | 32.3 | Very low | 31.5 | Very low | 172 Ų | 172 | 129.8 Ų | 129.8 | 88% | 0.882 | 77% | 0.773 | S | S | * | * | 176.9 | 154.9 | 130 | -91.6 | 166.7 | 0 | 0 | 0 | 110.6 | |||||
| 269 | A | 28.5 | Very low | 31.5 | Very low | 104 Ų | 104 | 130 Ų | 130 | 86% | 0.86 | 78% | 0.775 | S | S | * | * | trans | -103.5 | 175 | -159.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 270 | G | 26.8 | Very low | 31.6 | Very low | 70 Ų | 70 | 127.5 Ų | 127.5 | 72% | 0.722 | 77% | 0.773 | S | S | * | * | trans | 168.5 | 113.4 | 155.3 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 271 | R | 31.7 | Very low | 32.5 | Very low | 243 Ų | 243 | 127.4 Ų | 127.4 | 92% | 0.917 | 77% | 0.773 | S | S | * | * | trans | 32.5 | 157.9 | 136.3 | -77.2 | -176.7 | 165.4 | 160.7 | -5.5 | 122.5 | ||||
| 272 | V | 28.4 | Very low | 32.4 | Very low | 113 Ų | 113 | 126.6 Ų | 126.6 | 69% | 0.685 | 77% | 0.773 | S | S | * | * | cis | 170 | 146.6 | -27.1 | 130.7 | 0 | 0 | 0 | 0 | 108 | ||||
| 273 | L | 28.3 | Very low | 32.7 | Very low | 157 Ų | 157 | 127.7 Ų | 127.7 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | trans | 64.8 | 162.5 | 176.9 | -63.6 | 160.7 | 0 | 0 | 0 | 115.8 | ||||
| 274 | S | 29.6 | Very low | 32.7 | Very low | 87 Ų | 87 | 127.9 Ų | 127.9 | 61% | 0.608 | 78% | 0.777 | S | S | * | * | cis | -166.9 | 161.4 | -29.4 | -105.8 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 275 | Q | 29.4 | Very low | 33 | Very low | 180 Ų | 180 | 129.8 Ų | 129.8 | 84% | 0.841 | 78% | 0.777 | S | S | * | * | trans | 46.8 | 125.8 | 150.8 | -65.1 | 176.8 | 4.1 | 0 | 0 | 121.8 | ||||
| 276 | S | 28 | Very low | 31.8 | Very low | 121 Ų | 121 | 130.2 Ų | 130.2 | 85% | 0.846 | 78% | 0.778 | S | S | * | * | 164.1 | 162.1 | 109.7 | 51.8 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 277 | T | 28.6 | Very low | 31.2 | Very low | 135 Ų | 135 | 131.7 Ų | 131.7 | 83% | 0.828 | 78% | 0.778 | S | S | * | * | trans | -131.5 | -175.7 | 174.2 | 57.3 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 278 | P | 41 | Very low | 31.2 | Very low | 129 Ų | 129 | 131.8 Ų | 131.8 | 84% | 0.838 | 78% | 0.783 | S | S | * | * | cis | -123.5 | -174.5 | -25.8 | 35.3 | -18 | 0 | 0 | 0 | 112.4 | ||||
| 279 | G | 27.5 | Very low | 31.3 | Very low | 74 Ų | 74 | 131.8 Ų | 131.8 | 76% | 0.763 | 78% | 0.78 | S | S | * | * | trans | 171.6 | 122 | 163.7 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 280 | T | 31.9 | Very low | 31.6 | Very low | 138 Ų | 138 | 131.8 Ų | 131.8 | 85% | 0.847 | 77% | 0.774 | S | S | * | * | trans | -115.5 | 175.8 | 161 | 54.4 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 281 | P | 46.2 | Very low | 31.8 | Very low | 100 Ų | 100 | 131.7 Ų | 131.7 | 65% | 0.649 | 77% | 0.773 | S | S | * | * | cis | -157.8 | -173.1 | 28.3 | 46.9 | -23.7 | 0 | 0 | 0 | 121.1 | ||||
| 282 | S | 28.9 | Very low | 31.8 | Very low | 100 Ų | 100 | 126.5 Ų | 126.5 | 70% | 0.699 | 77% | 0.767 | S | S | * | * | trans | 68.3 | 117.4 | 142.7 | -67.6 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 283 | K | 33.8 | Very low | 32 | Very low | 190 Ų | 190 | 129 Ų | 129 | 83% | 0.826 | 78% | 0.775 | S | S | * | * | trans | -168.8 | 156.6 | 154.5 | -83.4 | 117.4 | -155.4 | 116 | 0 | 107.5 | ||||
| 284 | T | 27.4 | Very low | 32 | Very low | 128 Ų | 128 | 124.9 Ų | 124.9 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | cis | -162.6 | 174.6 | -12.5 | -82.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 285 | I | 33.1 | Very low | 32 | Very low | 143 Ų | 143 | 126 Ų | 126 | 73% | 0.733 | 78% | 0.779 | S | S | * | * | trans | -134.9 | 166.4 | -173.7 | -9.3 | 176.4 | 0 | 0 | 0 | 108.8 | ||||
| 286 | T | 27.3 | Very low | 31.9 | Very low | 116 Ų | 116 | 123.1 Ų | 123.1 | 71% | 0.712 | 77% | 0.774 | S | S | * | * | cis | -156.5 | 121.5 | 27.7 | -58.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 287 | I | 36.7 | Very low | 32 | Very low | 149 Ų | 149 | 124.6 Ų | 124.6 | 76% | 0.764 | 77% | 0.771 | S | S | * | * | 48.4 | 120.8 | 106.1 | -54.1 | 174.8 | 0 | 0 | 0 | 118 | |||||
| 288 | S | 31 | Very low | 32.1 | Very low | 118 Ų | 118 | 124.8 Ų | 124.8 | 83% | 0.825 | 77% | 0.767 | S | S | * | * | trans | -180 | 162.3 | 157.7 | -77 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 289 | E | 34.4 | Very low | 31.5 | Very low | 172 Ų | 172 | 123.4 Ų | 123.4 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | cis | -159.4 | -144.1 | -43.1 | -142.1 | -128.1 | 61.2 | 0 | 0 | 111.3 | ||||
| 290 | S | 33.7 | Very low | 31.6 | Very low | 105 Ų | 105 | 125.4 Ų | 125.4 | 73% | 0.734 | 76% | 0.758 | S | S | * | * | trans | -74 | 170.2 | -174 | -58.1 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 291 | G | 31.1 | Very low | 31.6 | Very low | 68 Ų | 68 | 124.2 Ų | 124.2 | 70% | 0.701 | 75% | 0.751 | S | S | * | * | cis | 162 | 176.9 | -7 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 292 | V | 31 | Very low | 31 | Very low | 133 Ų | 133 | 128.2 Ų | 128.2 | 81% | 0.806 | 76% | 0.761 | S | S | * | * | trans | 80.8 | 110.2 | 160.3 | -170.2 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 293 | I | 32.9 | Very low | 31.1 | Very low | 166 Ų | 166 | 129.7 Ų | 129.7 | 85% | 0.851 | 77% | 0.766 | S | S | * | * | trans | 20.5 | 136.1 | 135.1 | -32.6 | 167.3 | 0 | 0 | 0 | 122 | ||||
| 294 | G | 27.8 | Very low | 32 | Very low | 70 Ų | 70 | 125.5 Ų | 125.5 | 72% | 0.722 | 76% | 0.758 | S | S | * | * | trans | 146.7 | 90.8 | 136.6 | 0 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 295 | S | 29.3 | Very low | 32.5 | Very low | 111 Ų | 111 | 126.1 Ų | 126.1 | 78% | 0.776 | 76% | 0.757 | S | S | * | * | trans | 45.5 | 123.3 | 136.3 | -54.8 | 0 | 0 | 0 | 0 | 126.6 | ||||
| 296 | T | 27.4 | Very low | 32.5 | Very low | 120 Ų | 120 | 127.8 Ų | 127.8 | 74% | 0.736 | 76% | 0.758 | S | S | * | * | 75.2 | 121.9 | 129 | 54.9 | 0 | 0 | 0 | 0 | 125.9 | |||||
| 297 | L | 30.3 | Very low | 32.7 | Very low | 151 Ų | 151 | 128.8 Ų | 128.8 | 79% | 0.791 | 76% | 0.758 | S | S | * | * | trans | 66.7 | 149.4 | 136.5 | -60.1 | 170.3 | 0 | 0 | 0 | 119.2 | ||||
| 298 | N | 31.4 | Very low | 32.4 | Very low | 140 Ų | 140 | 126 Ų | 126 | 75% | 0.749 | 76% | 0.757 | S | S | * | * | cis | -129.8 | 169.6 | 2.6 | -90.2 | -50.3 | 0 | 0 | 0 | 109.3 | ||||
| 299 | S | 28.3 | Very low | 32.5 | Very low | 100 Ų | 100 | 128.3 Ų | 128.3 | 70% | 0.699 | 76% | 0.758 | S | S | * | * | cis | -144.9 | -143.1 | 19.5 | -149.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 300 | T | 29.2 | Very low | 32.5 | Very low | 115 Ų | 115 | 125.3 Ų | 125.3 | 71% | 0.706 | 76% | 0.756 | S | S | * | * | cis | -157.4 | 163.8 | 8.3 | -21.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 301 | T | 32.7 | Very low | 32.8 | Very low | 114 Ų | 114 | 125.6 Ų | 125.6 | 70% | 0.699 | 76% | 0.755 | S | S | * | * | trans | 50.4 | 102.8 | 156.7 | 45.9 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 302 | Q | 33.8 | Very low | 32.8 | Very low | 184 Ų | 184 | 129.9 Ų | 129.9 | 86% | 0.86 | 76% | 0.762 | S | S | * | * | 75.6 | 133.1 | 125.6 | -63.6 | -178.1 | 11.3 | 0 | 0 | 122.6 | |||||
| 303 | T | 31.4 | Very low | 32.8 | Very low | 130 Ų | 130 | 132.5 Ų | 132.5 | 80% | 0.798 | 76% | 0.762 | S | S | * | * | trans | -106.1 | -174.7 | 166.2 | 56.3 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 304 | P | 52.7 | Low | 32.7 | Very low | 102 Ų | 102 | 130 Ų | 130 | 66% | 0.662 | 76% | 0.76 | S | S | * | * | cis | -150 | 173.7 | 13.6 | 45 | -24.3 | 0 | 0 | 0 | 120.3 | ||||
| 305 | N | 37.9 | Very low | 33.6 | Very low | 142 Ų | 142 | 132.9 Ų | 132.9 | 76% | 0.759 | 77% | 0.765 | S | S | * | * | trans | 65.6 | 118.5 | 139.2 | -75.5 | -27 | 0 | 0 | 0 | 125.8 | ||||
| 306 | K | 32.5 | Very low | 33.9 | Very low | 178 Ų | 178 | 135 Ų | 135 | 77% | 0.774 | 77% | 0.768 | S | S | * | * | 79.6 | 126.6 | 124.8 | -84.9 | -171.6 | 156.6 | -170.6 | 0 | 125.1 | |||||
| 307 | I | 31.9 | Very low | 34.3 | Very low | 137 Ų | 137 | 138.6 Ų | 138.6 | 70% | 0.703 | 77% | 0.773 | S | S | * | * | trans | 88.9 | 97.8 | 134.4 | -65.4 | 172 | 0 | 0 | 0 | 121.3 | ||||
| 308 | A | 29.1 | Very low | 34.4 | Very low | 89 Ų | 89 | 135.5 Ų | 135.5 | 74% | 0.736 | 77% | 0.769 | S | S | * | * | 69.9 | 166.8 | 120.1 | 0 | 0 | 0 | 0 | 0 | 125.2 | |||||
| 309 | I | 33.3 | Very low | 34.4 | Very low | 168 Ų | 168 | 135.1 Ų | 135.1 | 86% | 0.862 | 77% | 0.772 | S | S | * | * | trans | 89.8 | 133.8 | 167.9 | -51.4 | 179.3 | 0 | 0 | 0 | 116.9 | ||||
| 310 | S | 33.9 | Very low | 34.6 | Very low | 108 Ų | 108 | 139.8 Ų | 139.8 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | trans | -98.4 | 166 | 177.6 | -43.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 311 | P | 41.8 | Very low | 34.6 | Very low | 111 Ų | 111 | 139.5 Ų | 139.5 | 72% | 0.721 | 78% | 0.782 | S | S | * | * | -153.9 | 143.1 | 123.7 | 33.6 | -14.7 | 0 | 0 | 0 | 118.3 | |||||
| 312 | L | 30.9 | Very low | 34.3 | Very low | 159 Ų | 159 | 140.6 Ų | 140.6 | 83% | 0.832 | 79% | 0.789 | S | S | * | * | trans | 54.9 | 176 | 139.9 | -79.1 | 82.6 | 0 | 0 | 0 | 121.3 | ||||
| 313 | K | 30.7 | Very low | 34.1 | Very low | 188 Ų | 188 | 138.1 Ų | 138.1 | 82% | 0.817 | 79% | 0.786 | S | S | * | * | cis | -179.8 | 133.4 | -47.3 | -174.5 | 170.9 | -175 | 176.9 | 0 | 109.5 | ||||
| 314 | S | 29.6 | Very low | 34.2 | Very low | 114 Ų | 114 | 140.5 Ų | 140.5 | 80% | 0.797 | 79% | 0.788 | S | S | * | * | trans | -86.4 | 151.2 | -175.6 | -51.3 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 315 | P | 47.9 | Very low | 33 | Very low | 129 Ų | 129 | 141 Ų | 141 | 84% | 0.838 | 79% | 0.789 | S | S | * | * | trans | -88.1 | -172.7 | 171.9 | 36.8 | -35.7 | 0 | 0 | 0 | 114 | ||||
| 316 | N | 34.4 | Very low | 32.5 | Very low | 155 Ų | 155 | 141.4 Ų | 141.4 | 83% | 0.829 | 79% | 0.79 | S | S | * | * | trans | -158.2 | 172.3 | -161.3 | -162.5 | -26.7 | 0 | 0 | 0 | 112.1 | ||||
| 317 | K | 37.4 | Very low | 32.4 | Very low | 197 Ų | 197 | 138.6 Ų | 138.6 | 86% | 0.857 | 79% | 0.788 | S | S | * | * | trans | 82.3 | 154.8 | 172 | -64.3 | -175.3 | 176.4 | -178.6 | 0 | 118.4 | ||||
| 318 | A | 32.7 | Very low | 32.4 | Very low | 85 Ų | 85 | 138.8 Ų | 138.8 | 70% | 0.702 | 80% | 0.795 | S | S | * | * | cis | -175.3 | -168.8 | -20.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 319 | V | 31.2 | Very low | 32.3 | Very low | 132 Ų | 132 | 138.4 Ų | 138.4 | 80% | 0.8 | 80% | 0.8 | S | S | * | * | trans | 91.7 | 119.3 | 162.8 | -169 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 320 | K | 31 | Very low | 32.1 | Very low | 199 Ų | 199 | 133.9 Ų | 133.9 | 87% | 0.865 | 79% | 0.794 | S | S | * | * | 76 | 144.3 | 57.4 | -81.4 | -170.6 | 177.6 | -173.1 | 0 | 114.7 | |||||
| 321 | S | 29.5 | Very low | 31.8 | Very low | 109 Ų | 109 | 135.6 Ų | 135.6 | 76% | 0.762 | 80% | 0.8 | S | S | * | * | cis | -172 | -170.8 | -9.6 | -166.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 322 | T | 26.6 | Very low | 31.2 | Very low | 137 Ų | 137 | 135 Ų | 135 | 84% | 0.84 | 80% | 0.798 | S | S | * | * | trans | 100.2 | 154 | 165.4 | -48.6 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 323 | V | 30.6 | Very low | 31.1 | Very low | 131 Ų | 131 | 133.8 Ų | 133.8 | 79% | 0.794 | 80% | 0.798 | S | S | * | * | trans | -162.7 | 154.7 | -170.1 | 64 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 324 | Q | 33.1 | Very low | 31 | Very low | 180 Ų | 180 | 130.1 Ų | 130.1 | 84% | 0.841 | 80% | 0.796 | S | S | * | * | trans | -177.1 | 174.5 | 166.3 | -100.7 | 176.4 | 82.7 | 0 | 0 | 109.9 | ||||
| 325 | T | 27.5 | Very low | 31 | Very low | 112 Ų | 112 | 133.8 Ų | 133.8 | 69% | 0.687 | 80% | 0.801 | S | S | * | * | cis | -175.7 | 175.1 | -36.3 | -82.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 326 | I | 27.6 | Very low | 30.1 | Very low | 152 Ų | 152 | 137.5 Ų | 137.5 | 78% | 0.779 | 80% | 0.804 | S | S | * | * | trans | 89.5 | 130.3 | 176.3 | -55.1 | 179.4 | 0 | 0 | 0 | 114.7 | ||||
| 327 | T | 30.1 | Very low | 29.8 | Very low | 119 Ų | 119 | 140.1 Ų | 140.1 | 73% | 0.73 | 81% | 0.808 | S | S | * | * | cis | 95.8 | 148.1 | 6.7 | -19.8 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 328 | V | 31.5 | Very low | 29.5 | Very low | 141 Ų | 141 | 136.7 Ų | 136.7 | 86% | 0.855 | 80% | 0.804 | S | S | * | * | cis | -157.3 | 158.1 | 19.1 | -151.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 329 | G | 26.3 | Very low | 29.3 | Very low | 81 Ų | 81 | 140.2 Ų | 140.2 | 84% | 0.835 | 81% | 0.809 | S | S | * | * | trans | 95.5 | 154 | 154.6 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 330 | G | 29.5 | Very low | 29.3 | Very low | 72 Ų | 72 | 141 Ų | 141 | 74% | 0.742 | 81% | 0.807 | S | S | * | * | cis | 174.1 | 152.4 | -12.8 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 331 | V | 28.4 | Very low | 29.4 | Very low | 145 Ų | 145 | 137.4 Ų | 137.4 | 88% | 0.879 | 80% | 0.804 | S | S | * | * | trans | 70.5 | 139.7 | 155 | -130.2 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 332 | S | 28.8 | Very low | 29.3 | Very low | 98 Ų | 98 | 140.8 Ų | 140.8 | 69% | 0.685 | 81% | 0.813 | S | S | * | * | trans | 114.9 | 98.2 | 138 | -62.4 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 333 | T | 28.6 | Very low | 29.6 | Very low | 134 Ų | 134 | 138.5 Ų | 138.5 | 82% | 0.822 | 81% | 0.808 | S | S | * | * | trans | 54.6 | 111.6 | 130.5 | 59.2 | 0 | 0 | 0 | 0 | 126.8 | ||||
| 334 | S | 28.5 | Very low | 29.6 | Very low | 111 Ų | 111 | 139.6 Ų | 139.6 | 78% | 0.776 | 82% | 0.815 | S | S | * | * | 58.6 | 125.7 | 117.6 | -158.8 | 0 | 0 | 0 | 0 | 124.9 | |||||
| 335 | Q | 29.4 | Very low | 29.6 | Very low | 191 Ų | 191 | 135.5 Ų | 135.5 | 89% | 0.893 | 81% | 0.812 | S | S | * | * | -180 | 169.7 | 116.7 | -97 | -173.5 | 28.6 | 0 | 0 | 113.8 | |||||
| 336 | F | 29.8 | Very low | 30.2 | Very low | 206 Ų | 206 | 135.7 Ų | 135.7 | 90% | 0.904 | 82% | 0.815 | S | S | * | * | trans | -115.9 | 152.1 | -172 | -101.9 | -96.4 | 0 | 0 | 0 | 113.9 | ||||
| 337 | K | 27.2 | Very low | 30.6 | Very low | 210 Ų | 210 | 136 Ų | 136 | 91% | 0.913 | 82% | 0.819 | S | S | * | * | trans | -156.1 | 158.6 | 156.1 | -149 | 165.8 | -176.3 | 175.7 | 0 | 113.3 | ||||
| 338 | T | 32.2 | Very low | 30.7 | Very low | 126 Ų | 126 | 136.9 Ų | 136.9 | 77% | 0.773 | 82% | 0.823 | S | S | * | * | trans | -125.1 | 141 | -166.3 | -56.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 339 | I | 29.1 | Very low | 31.2 | Very low | 159 Ų | 159 | 139 Ų | 139 | 82% | 0.815 | 82% | 0.824 | S | S | * | * | trans | -140.3 | 121.7 | 164.2 | -56.6 | -177.1 | 0 | 0 | 0 | 113.3 | ||||
| 340 | I | 29.6 | Very low | 31.6 | Very low | 149 Ų | 149 | 143.3 Ų | 143.3 | 76% | 0.764 | 82% | 0.822 | S | S | * | * | trans | 1.4 | 135.9 | 148.7 | -49.8 | 171.6 | 0 | 0 | 0 | 120.3 | ||||
| 341 | P | 34.1 | Very low | 32 | Very low | 123 Ų | 123 | 147.5 Ų | 147.5 | 80% | 0.799 | 83% | 0.826 | S | S | * | * | trans | -98.9 | 161.1 | 160.2 | 38.7 | -32.5 | 0 | 0 | 0 | 114.2 | ||||
| 342 | L | 26.1 | Very low | 32.2 | Very low | 180 Ų | 180 | 148.2 Ų | 148.2 | 94% | 0.942 | 82% | 0.82 | S | S | * | * | trans | -106.3 | 153.9 | 178.5 | -167.9 | 64.5 | 0 | 0 | 0 | 111.9 | ||||
| 343 | A | 33.3 | Very low | 32.7 | Very low | 89 Ų | 89 | 149.1 Ų | 149.1 | 74% | 0.736 | 82% | 0.821 | S | S | * | * | trans | -123.4 | 160.6 | -167.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 344 | T | 30.4 | Very low | 32.9 | Very low | 153 Ų | 153 | 148.5 Ų | 148.5 | 94% | 0.939 | 82% | 0.819 | S | S | * | * | trans | -147.4 | 159.2 | 169.5 | -41.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 345 | A | 34.3 | Very low | 33.9 | Very low | 95 Ų | 95 | 147.3 Ų | 147.3 | 79% | 0.785 | 83% | 0.825 | S | S | * | * | trans | -89.6 | 168 | -153.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 346 | P | 39.1 | Very low | 34.7 | Very low | 116 Ų | 116 | 142.4 Ų | 142.4 | 75% | 0.753 | 81% | 0.811 | S | S | * | * | trans | -116.6 | 130 | -165.7 | 37.7 | -25 | 0 | 0 | 0 | 116.3 | ||||
| 347 | N | 35.4 | Very low | 35.3 | Very low | 159 Ų | 159 | 142 Ų | 142 | 85% | 0.85 | 81% | 0.809 | S | S | * | * | trans | -165.4 | 102.9 | 146.1 | -128.1 | -88.6 | 0 | 0 | 0 | 114.1 | ||||
| 348 | V | 34.2 | Very low | 35.9 | Very low | 137 Ų | 137 | 139.8 Ų | 139.8 | 83% | 0.83 | 80% | 0.8 | S | S | * | * | trans | -150 | 124.1 | 158.9 | -176.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 349 | Q | 40.8 | Very low | 36.3 | Very low | 185 Ų | 185 | 142.8 Ų | 142.8 | 86% | 0.864 | 80% | 0.804 | S | S | * | * | trans | -85.9 | 129.7 | 166.4 | -76.8 | -179.9 | -25.6 | 0 | 0 | 110.1 | ||||
| 350 | Q | 34.9 | Very low | 36.8 | Very low | 171 Ų | 171 | 145.1 Ų | 145.1 | 80% | 0.799 | 81% | 0.805 | S | S | * | * | trans | -94 | 136.4 | 173 | -71 | -177.1 | -29.5 | 0 | 0 | 110.7 | ||||
| 351 | I | 38.2 | Very low | 37.4 | Very low | 160 Ų | 160 | 144.2 Ų | 144.2 | 82% | 0.821 | 81% | 0.806 | S | S | * | * | trans | -106.5 | 117.7 | 166.8 | -62.3 | 177.5 | 0 | 0 | 0 | 107.8 | ||||
| 352 | Q | 33.3 | Very low | 37.3 | Very low | 161 Ų | 161 | 148.8 Ų | 148.8 | 75% | 0.752 | 81% | 0.807 | S | S | * | * | trans | -81.8 | 119.8 | -177.5 | -173.3 | 73.8 | -1.6 | 0 | 0 | 110.7 | ||||
| 353 | V | 37.8 | Very low | 37.7 | Very low | 117 Ų | 117 | 147.8 Ų | 147.8 | 71% | 0.709 | 80% | 0.802 | S | S | * | * | trans | -118.7 | 111.1 | 170.3 | -172.8 | 0 | 0 | 0 | 0 | 109.1 | G355 | V353-G355 PolarHBondContact O-N 3.48Š| ||
| 354 | P | 32.7 | Very low | 37.7 | Very low | 120 Ų | 120 | 148.4 Ų | 148.4 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.8 | 132.9 | -178.3 | -23 | 34.2 | 0 | 0 | 0 | 113.1 | ||
| 355 | G | 49.5 | Very low | 37.7 | Very low | 87 Ų | 87 | 147.7 Ų | 147.7 | 90% | 0.897 | 79% | 0.792 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 120.7 | -10.4 | 160.9 | 0 | 0 | 0 | 0 | 0 | 117.9 | V353 | V353-G355 PolarHBondContact O-N 3.48Š|
| 356 | S | 46.2 | Very low | 37.5 | Very low | 87 Ų | 87 | 147.6 Ų | 147.6 | 61% | 0.608 | 79% | 0.791 | S | S | * | * | trans | -106.9 | 146.8 | 179.2 | -173.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 357 | K | 43.2 | Very low | 37 | Very low | 198 Ų | 198 | 148.6 Ų | 148.6 | 86% | 0.861 | 80% | 0.796 | S | S | * | * | trans | -111.3 | 23.9 | 178.6 | -78 | -165.6 | 175.1 | -175 | 0 | 114.3 | ||||
| 358 | F | 39.4 | Very low | 36.8 | Very low | 164 Ų | 164 | 146.6 Ų | 146.6 | 72% | 0.719 | 79% | 0.794 | S | S | * | * | trans | -132.2 | 136.8 | 174.2 | -65.7 | -76.1 | 0 | 0 | 0 | 111.7 | ||||
| 359 | H | 41.8 | Very low | 36.5 | Very low | 188 Ų | 188 | 144.8 Ų | 144.8 | 87% | 0.87 | 79% | 0.794 | S | S | * | * | trans | -86.9 | 138.1 | 175.3 | -68.8 | 85.3 | 0 | 0 | 0 | 110 | ||||
| 360 | Y | 38.4 | Very low | 35.9 | Very low | 208 Ų | 208 | 142 Ų | 142 | 82% | 0.816 | 79% | 0.794 | S | S | * | * | trans | -117.2 | 134.5 | 170.5 | -68.3 | -85.6 | 0 | 0 | 0 | 109.5 | ||||
| 361 | V | 43 | Very low | 35.7 | Very low | 131 Ų | 131 | 139.8 Ų | 139.8 | 79% | 0.794 | 80% | 0.798 | S | S | * | * | trans | -111.5 | 122.6 | 170.8 | -179.7 | 0 | 0 | 0 | 0 | 107.7 | L363 | V361-L363 HydrophobicContact CG1-CD1 4Š| ||
| 362 | R | 32.3 | Very low | 35.3 | Very low | 218 Ų | 218 | 137.4 Ų | 137.4 | 82% | 0.823 | 80% | 0.795 | S | S | * | * | trans | -103.5 | 108.3 | 173.8 | -178 | -174.7 | 179.3 | -172.2 | -0.2 | 108.6 | V364 | R362-V364 HydrophobicContact CG-CG2 3.93Š| ||
| 363 | L | 33.2 | Very low | 35.1 | Very low | 159 Ų | 159 | 136.8 Ų | 136.8 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | trans | -68.4 | 135.5 | 163.5 | -91.2 | 63.7 | 0 | 0 | 0 | 108.7 | V361 | V361-L363 HydrophobicContact CG1-CD1 4Š| ||
| 364 | V | 34.4 | Very low | 34.8 | Very low | 103 Ų | 103 | 139.6 Ų | 139.6 | 62% | 0.624 | 81% | 0.808 | S | S | * | * | trans | -130.5 | 119.1 | 172.9 | -176.2 | 0 | 0 | 0 | 0 | 106.8 | R362 A366 | R362-V364 HydrophobicContact CG-CG2 3.93Å; V364-A366 PolarHBondContact O-N 3.47Å | ||
| 365 | T | 29.8 | Very low | 35.1 | Very low | 137 Ų | 137 | 138.9 Ų | 138.9 | 84% | 0.84 | 80% | 0.803 | S | S | * | * | trans | -72.4 | 119.5 | 169.5 | 37.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 366 | A | 30 | Very low | 34.1 | Very low | 94 Ų | 94 | 141 Ų | 141 | 78% | 0.777 | 80% | 0.799 | S | S | * | * | trans | -84.2 | 130.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | V364 | V364-A366 PolarHBondContact O-N 3.47Š| ||
| 367 | T | 28.7 | Very low | 33.3 | Very low | 137 Ų | 137 | 141.3 Ų | 141.3 | 84% | 0.84 | 80% | 0.801 | S | S | * | * | trans | -93 | 111.5 | 173.6 | -47.2 | 0 | 0 | 0 | 0 | 109.1 | A369 | T367-A369 PolarHBondContact O-N 2.98Š| ||
| 368 | S | 30.8 | Very low | 32.7 | Very low | 116 Ų | 116 | 141 Ų | 141 | 81% | 0.811 | 80% | 0.803 | S | S | * | * | trans | -72.4 | 125.4 | 174.4 | -57.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 369 | A | 28.8 | Very low | 32.1 | Very low | 100 Ų | 100 | 140.3 Ų | 140.3 | 83% | 0.826 | 81% | 0.806 | S | S | * | * | trans | -111.9 | 124.2 | 169 | 0 | 0 | 0 | 0 | 0 | 109.2 | T367 | T367-A369 PolarHBondContact O-N 2.98Š| ||
| 370 | S | 27.9 | Very low | 32.6 | Very low | 126 Ų | 126 | 135.9 Ų | 135.9 | 88% | 0.881 | 79% | 0.794 | S | S | * | * | trans | -94.9 | 135.3 | -178.7 | -53.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 371 | S | 30.4 | Very low | 32.1 | Very low | 125 Ų | 125 | 130.7 Ų | 130.7 | 87% | 0.874 | 79% | 0.788 | S | S | * | * | trans | -129.6 | 148.3 | 160.4 | 57.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 372 | S | 30.2 | Very low | 31.5 | Very low | 110 Ų | 110 | 130.4 Ų | 130.4 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | trans | -111.2 | 137.6 | -160.2 | 55.8 | 0 | 0 | 0 | 0 | 114 | ||||
| 373 | T | 29.3 | Very low | 31.2 | Very low | 148 Ų | 148 | 126.8 Ų | 126.8 | 91% | 0.908 | 78% | 0.784 | S | S | * | * | trans | -158 | 159.1 | 136.4 | 15 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 374 | Q | 30.6 | Very low | 31.1 | Very low | 176 Ų | 176 | 124.6 Ų | 124.6 | 82% | 0.822 | 78% | 0.777 | S | S | * | * | trans | -100.3 | -174.1 | -179.3 | -69.9 | -90.5 | 3.3 | 0 | 0 | 110 | ||||
| 375 | P | 39.8 | Very low | 30.9 | Very low | 104 Ų | 104 | 128.2 Ų | 128.2 | 68% | 0.675 | 79% | 0.787 | S | S | * | * | -124.2 | -175.1 | -83.2 | 37.2 | -19.8 | 0 | 0 | 0 | 111.8 | |||||
| 376 | V | 27.7 | Very low | 31.8 | Very low | 133 Ų | 133 | 126.4 Ų | 126.4 | 81% | 0.806 | 78% | 0.778 | S | S | * | * | trans | 169.8 | 139 | 136.3 | 150.4 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 377 | S | 28.7 | Very low | 31.7 | Very low | 93 Ų | 93 | 129 Ų | 129 | 65% | 0.65 | 78% | 0.778 | S | S | * | * | trans | 11.1 | 140 | 159.7 | -63.6 | 0 | 0 | 0 | 0 | 125.3 | ||||
| 378 | Q | 31.4 | Very low | 31.9 | Very low | 192 Ų | 192 | 129.4 Ų | 129.4 | 90% | 0.897 | 77% | 0.771 | S | S | * | * | trans | 92 | 157.4 | 132.6 | -78 | 166 | 13.2 | 0 | 0 | 121.3 | ||||
| 379 | N | 27.7 | Very low | 32.2 | Very low | 149 Ų | 149 | 131.9 Ų | 131.9 | 80% | 0.797 | 77% | 0.769 | S | S | * | * | trans | -148.9 | 169.8 | -157.9 | -158.7 | 32.6 | 0 | 0 | 0 | 105.4 | ||||
| 380 | P | 50.8 | Low | 32.3 | Very low | 95 Ų | 95 | 131.5 Ų | 131.5 | 62% | 0.617 | 77% | 0.766 | S | S | * | * | cis | -126.8 | -148.5 | -23.4 | 28.3 | -4 | 0 | 0 | 0 | 110.9 | ||||
| 381 | S | 29.7 | Very low | 32.3 | Very low | 98 Ų | 98 | 135.1 Ų | 135.1 | 69% | 0.685 | 77% | 0.766 | S | S | * | * | trans | 90.2 | 150 | 149.9 | -54.8 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 382 | T | 29.3 | Very low | 33 | Very low | 125 Ų | 125 | 134.9 Ų | 134.9 | 77% | 0.767 | 76% | 0.761 | S | S | * | * | cis | -169.2 | 161.1 | -29.8 | 37.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 383 | N | 27 | Very low | 33 | Very low | 142 Ų | 142 | 135.5 Ų | 135.5 | 76% | 0.759 | 76% | 0.76 | S | S | * | * | trans | 94.4 | 150.9 | 138.9 | -130.5 | -1.8 | 0 | 0 | 0 | 123.4 | ||||
| 384 | T | 30.1 | Very low | 33.2 | Very low | 113 Ų | 113 | 135.3 Ų | 135.3 | 69% | 0.693 | 76% | 0.759 | S | S | * | * | trans | 47.7 | 116.2 | 155.7 | 40.2 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 385 | Q | 29.7 | Very low | 33.3 | Very low | 179 Ų | 179 | 132.5 Ų | 132.5 | 84% | 0.836 | 75% | 0.753 | S | S | * | * | 53.9 | 152.7 | 65.4 | -88.1 | -151.9 | 17.5 | 0 | 0 | 116.7 | |||||
| 386 | P | 49.3 | Very low | 32.8 | Very low | 99 Ų | 99 | 134.6 Ų | 134.6 | 64% | 0.643 | 76% | 0.758 | S | S | * | * | cis | -148 | -174.6 | -19.9 | 40.7 | -20.8 | 0 | 0 | 0 | 117.3 | ||||
| 387 | L | 28.8 | Very low | 33 | Very low | 149 Ų | 149 | 133.4 Ų | 133.4 | 78% | 0.78 | 75% | 0.752 | S | S | * | * | trans | 70.9 | 125.3 | 140 | -146.8 | 74.2 | 0 | 0 | 0 | 122.2 | ||||
| 388 | Q | 32.9 | Very low | 33.2 | Very low | 146 Ų | 146 | 135 Ų | 135 | 68% | 0.682 | 76% | 0.758 | S | S | * | * | 169.3 | 139.5 | 108.4 | -89.4 | -178.2 | 95.3 | 0 | 0 | 116.3 | |||||
| 389 | Q | 36.3 | Very low | 33.7 | Very low | 167 Ų | 167 | 131.8 Ų | 131.8 | 78% | 0.78 | 75% | 0.754 | S | S | * | * | trans | 52.5 | 156 | 136.4 | -59.6 | -169.1 | 35.6 | 0 | 0 | 122.1 | ||||
| 390 | A | 30.5 | Very low | 33.8 | Very low | 92 Ų | 92 | 130.9 Ų | 130.9 | 76% | 0.76 | 75% | 0.753 | S | S | * | * | cis | -163.6 | -174.5 | -21.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 391 | K | 28.2 | Very low | 32.8 | Very low | 203 Ų | 203 | 137.3 Ų | 137.3 | 88% | 0.883 | 77% | 0.765 | S | S | * | * | trans | -79.4 | 178.2 | -178.5 | -66.1 | 180 | 178.5 | 176.2 | 0 | 112.7 | ||||
| 392 | P | 44.9 | Very low | 32.7 | Very low | 119 Ų | 119 | 140.6 Ų | 140.6 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | cis | -144.9 | 172.1 | 14.1 | 42.9 | -22 | 0 | 0 | 0 | 121.1 | ||||
| 393 | V | 31.5 | Very low | 32.7 | Very low | 123 Ų | 123 | 139.9 Ų | 139.9 | 75% | 0.745 | 77% | 0.772 | S | S | * | * | trans | -14.2 | 136.3 | 156 | -177 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 394 | V | 33.4 | Very low | 33 | Very low | 145 Ų | 145 | 139.2 Ų | 139.2 | 88% | 0.879 | 77% | 0.773 | S | S | * | * | trans | -144.4 | 162.5 | 135.8 | -172.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 395 | V | 32.6 | Very low | 33.3 | Very low | 116 Ų | 116 | 139.7 Ų | 139.7 | 70% | 0.703 | 78% | 0.777 | S | S | * | * | trans | -119.2 | 144 | -175.5 | 171 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 396 | N | 28.7 | Very low | 33.4 | Very low | 148 Ų | 148 | 138.8 Ų | 138.8 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | trans | -168.1 | 140.9 | 143.1 | -107.1 | -10.7 | 0 | 0 | 0 | 117.8 | ||||
| 397 | T | 32.7 | Very low | 32.5 | Very low | 108 Ų | 108 | 140.8 Ų | 140.8 | 66% | 0.663 | 79% | 0.787 | S | S | * | * | trans | 16.8 | 117.9 | 150.5 | 58.2 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 398 | T | 32.3 | Very low | 32.7 | Very low | 128 Ų | 128 | 139.2 Ų | 139.2 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | 14.3 | 156.7 | 126.6 | 55.6 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 399 | P | 42.3 | Very low | 32.5 | Very low | 124 Ų | 124 | 137 Ų | 137 | 81% | 0.805 | 80% | 0.795 | S | S | * | * | cis | -133.1 | -172.5 | 4 | 36.2 | -15.1 | 0 | 0 | 0 | 116 | ||||
| 400 | V | 28.6 | Very low | 32.3 | Very low | 130 Ų | 130 | 138.4 Ų | 138.4 | 79% | 0.788 | 80% | 0.802 | S | S | * | * | trans | -84.5 | 145.1 | -174.6 | 176.2 | 0 | 0 | 0 | 0 | 114 | ||||
| 401 | R | 29.8 | Very low | 32.4 | Very low | 230 Ų | 230 | 138.7 Ų | 138.7 | 87% | 0.868 | 80% | 0.803 | S | S | * | * | trans | -131.8 | 127.8 | 156.2 | -173.3 | 176.3 | -177.9 | 176.6 | 2 | 110.7 | ||||
| 402 | M | 28.5 | Very low | 32.6 | Very low | 167 Ų | 167 | 135.6 Ų | 135.6 | 82% | 0.823 | 80% | 0.802 | S | S | * | * | trans | -84.8 | 144.1 | 175.5 | -69.1 | -79.5 | -76.8 | 0 | 0 | 111.1 | ||||
| 403 | S | 29.1 | Very low | 31.8 | Very low | 109 Ų | 109 | 139.2 Ų | 139.2 | 76% | 0.762 | 81% | 0.805 | S | S | * | * | trans | -136.3 | 139 | 174.6 | -65 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 404 | V | 32.9 | Very low | 31.7 | Very low | 129 Ų | 129 | 141.3 Ų | 141.3 | 78% | 0.782 | 81% | 0.807 | S | S | * | * | trans | -111.8 | 136.4 | 177.4 | -179.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 405 | P | 37.2 | Very low | 31.4 | Very low | 122 Ų | 122 | 141.1 Ų | 141.1 | 79% | 0.792 | 81% | 0.806 | S | S | * | * | trans | -69.3 | 140.9 | 176.5 | -18.2 | 32.1 | 0 | 0 | 0 | 112.7 | ||||
| 406 | I | 30.1 | Very low | 31.2 | Very low | 160 Ų | 160 | 141.7 Ų | 141.7 | 82% | 0.821 | 81% | 0.809 | S | S | * | * | trans | -108.3 | 143.9 | 169.8 | -64.7 | 170.9 | 0 | 0 | 0 | 107.9 | ||||
| 407 | V | 32.2 | Very low | 32.1 | Very low | 141 Ų | 141 | 140.6 Ų | 140.6 | 86% | 0.855 | 81% | 0.81 | S | S | * | * | trans | -124.1 | 138.5 | 168.2 | -178.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 408 | S | 31.4 | Very low | 32.1 | Very low | 116 Ų | 116 | 144.4 Ų | 144.4 | 81% | 0.811 | 82% | 0.817 | S | S | * | * | trans | -94.9 | 167.6 | -168.8 | 49.1 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 409 | A | 29.7 | Very low | 32.4 | Very low | 99 Ų | 99 | 143.7 Ų | 143.7 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | trans | -128 | 156.7 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 410 | Q | 32.2 | Very low | 31.8 | Very low | 198 Ų | 198 | 145.1 Ų | 145.1 | 93% | 0.925 | 81% | 0.814 | S | S | * | * | trans | -153.1 | 154.1 | 169.3 | -66.9 | -175.5 | -7 | 0 | 0 | 107.2 | ||||
| 411 | A | 32.3 | Very low | 32 | Very low | 97 Ų | 97 | 146.1 Ų | 146.1 | 80% | 0.802 | 82% | 0.815 | S | S | * | * | cis | -156.1 | 169.7 | -24.2 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 412 | V | 31.6 | Very low | 32.6 | Very low | 139 Ų | 139 | 140 Ų | 140 | 84% | 0.842 | 81% | 0.805 | S | S | * | * | trans | -124.3 | 142.1 | -161.7 | 177.8 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 413 | K | 29 | Very low | 32.5 | Very low | 194 Ų | 194 | 137.7 Ų | 137.7 | 84% | 0.843 | 80% | 0.801 | S | S | * | * | trans | -172.5 | 161.8 | 145.1 | -104.5 | 163.8 | -179.5 | -177.7 | 0 | 111.2 | ||||
| 414 | Q | 28.9 | Very low | 32.5 | Very low | 167 Ų | 167 | 137.8 Ų | 137.8 | 78% | 0.78 | 80% | 0.802 | S | S | * | * | cis | 178.9 | 143.2 | -43 | -176.2 | 172.5 | 20.1 | 0 | 0 | 108.2 | ||||
| 415 | V | 27 | Very low | 32.2 | Very low | 142 Ų | 142 | 139.6 Ų | 139.6 | 86% | 0.861 | 80% | 0.801 | S | S | * | * | trans | 166.8 | 150.2 | 151 | 149.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 416 | V | 28.6 | Very low | 31.8 | Very low | 127 Ų | 127 | 141 Ų | 141 | 77% | 0.77 | 80% | 0.801 | S | S | * | * | trans | -163.7 | 153.8 | -161 | 167.3 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 417 | P | 47.6 | Very low | 31.6 | Very low | 125 Ų | 125 | 138.5 Ų | 138.5 | 81% | 0.812 | 79% | 0.792 | S | S | * | * | cis | -134.3 | -142.6 | -20.1 | 42.1 | -21.2 | 0 | 0 | 0 | 114.7 | ||||
| 418 | K | 32.4 | Very low | 31.4 | Very low | 188 Ų | 188 | 137.9 Ų | 137.9 | 82% | 0.817 | 79% | 0.789 | S | S | * | * | trans | -98 | 160.9 | -167.3 | -131.6 | 174.2 | -172.8 | 174.8 | 0 | 115.2 | ||||
| 419 | P | 38.9 | Very low | 31.3 | Very low | 114 Ų | 114 | 139.1 Ų | 139.1 | 74% | 0.74 | 79% | 0.792 | S | S | * | * | -145.3 | 146.7 | 106.2 | 31.5 | -12.5 | 0 | 0 | 0 | 114.7 | |||||
| 420 | I | 29.8 | Very low | 31.4 | Very low | 154 Ų | 154 | 139 Ų | 139 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | 85 | 111 | 75.1 | -58.6 | 166.9 | 0 | 0 | 0 | 116.6 | |||||
| 421 | N | 32.2 | Very low | 31.5 | Very low | 150 Ų | 150 | 138.4 Ų | 138.4 | 80% | 0.802 | 78% | 0.783 | S | S | * | * | trans | 17.4 | 166.4 | 144.7 | -115.7 | 25.2 | 0 | 0 | 0 | 123.2 | ||||
| 422 | P | 42.6 | Very low | 31.9 | Very low | 101 Ų | 101 | 139.4 Ų | 139.4 | 66% | 0.656 | 78% | 0.781 | S | S | * | * | cis | -148.8 | -170.7 | 20.7 | 38.6 | -13.8 | 0 | 0 | 0 | 119.9 | ||||
| 423 | T | 27.8 | Very low | 31.9 | Very low | 119 Ų | 119 | 142 Ų | 142 | 73% | 0.73 | 78% | 0.784 | S | S | * | * | trans | 100.9 | 116.4 | 144.4 | -57.7 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 424 | S | 27.6 | Very low | 32 | Very low | 112 Ų | 112 | 142.2 Ų | 142.2 | 78% | 0.783 | 79% | 0.788 | S | S | * | * | trans | 38.1 | 142.8 | 143.4 | -58 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 425 | Q | 27.1 | Very low | 32.3 | Very low | 167 Ų | 167 | 145.6 Ų | 145.6 | 78% | 0.78 | 79% | 0.794 | S | S | * | * | cis | -143.6 | -123.5 | -5.6 | -152.1 | -171.3 | 38.6 | 0 | 0 | 111.9 | ||||
| 426 | I | 28 | Very low | 32.3 | Very low | 151 Ų | 151 | 146.7 Ų | 146.7 | 77% | 0.774 | 79% | 0.794 | S | S | * | * | cis | -143.7 | -132.9 | 3 | -163.9 | 160.8 | 0 | 0 | 0 | 112.4 | ||||
| 427 | V | 27 | Very low | 32.7 | Very low | 107 Ų | 107 | 147.7 Ų | 147.7 | 65% | 0.648 | 79% | 0.793 | S | S | * | * | trans | -140.5 | 156 | -158.9 | -177 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 428 | T | 27.3 | Very low | 31.6 | Very low | 129 Ų | 129 | 150.1 Ų | 150.1 | 79% | 0.791 | 80% | 0.796 | S | S | * | * | trans | 91.2 | 147.6 | 156.1 | 12.4 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 429 | T | 29.5 | Very low | 32 | Very low | 141 Ų | 141 | 146.7 Ų | 146.7 | 87% | 0.865 | 79% | 0.793 | S | S | * | * | trans | 73.5 | 173.1 | 159.4 | -153.4 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 430 | S | 31.1 | Very low | 31.7 | Very low | 98 Ų | 98 | 146 Ų | 146 | 69% | 0.685 | 80% | 0.797 | S | S | * | * | trans | -131.9 | -176.1 | -134.9 | 68.4 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 431 | Q | 35 | Very low | 31.8 | Very low | 185 Ų | 185 | 145.4 Ų | 145.4 | 86% | 0.864 | 80% | 0.8 | S | S | * | * | trans | 88.7 | 162.7 | 167.1 | -79.9 | -164.2 | 3.9 | 0 | 0 | 118.6 | ||||
| 432 | P | 39.9 | Very low | 32.3 | Very low | 118 Ų | 118 | 144 Ų | 144 | 77% | 0.766 | 80% | 0.799 | S | S | * | * | trans | -100.8 | 178.3 | -141.4 | 40.1 | -39.1 | 0 | 0 | 0 | 116.6 | ||||
| 433 | Q | 31.7 | Very low | 31.7 | Very low | 193 Ų | 193 | 147.2 Ų | 147.2 | 90% | 0.902 | 81% | 0.81 | S | S | * | * | trans | -68.2 | 138.7 | -175.9 | -63.9 | -177.8 | -26.5 | 0 | 0 | 114.6 | ||||
| 434 | Q | 32.5 | Very low | 32.2 | Very low | 199 Ų | 199 | 147.3 Ų | 147.3 | 93% | 0.93 | 81% | 0.813 | S | S | * | * | trans | -131.9 | 174.7 | 159.2 | -78.3 | -160.7 | -5 | 0 | 0 | 111.4 | ||||
| 435 | R | 33.9 | Very low | 32.5 | Very low | 238 Ų | 238 | 149.9 Ų | 149.9 | 90% | 0.898 | 81% | 0.812 | S | S | * | * | trans | -133.7 | 115.9 | -152.7 | 176.5 | -162 | -160.9 | -138.6 | 9.8 | 111.4 | ||||
| 436 | L | 28.3 | Very low | 32.8 | Very low | 164 Ų | 164 | 149.9 Ų | 149.9 | 86% | 0.859 | 82% | 0.816 | S | S | * | * | trans | -122.1 | 111.3 | 173.8 | -108.5 | 80.8 | 0 | 0 | 0 | 114 | ||||
| 437 | I | 35.4 | Very low | 33.4 | Very low | 148 Ų | 148 | 149.9 Ų | 149.9 | 76% | 0.759 | 81% | 0.813 | S | S | * | * | trans | 15.4 | 135.9 | 137.6 | -51.4 | 170 | 0 | 0 | 0 | 119.3 | ||||
| 438 | M | 26.5 | Very low | 33.7 | Very low | 177 Ų | 177 | 150 Ų | 150 | 87% | 0.872 | 82% | 0.815 | S | S | * | * | trans | -126.8 | 152.8 | 141.2 | -84.8 | -156.1 | 72 | 0 | 0 | 110.8 | ||||
| 439 | P | 39.4 | Very low | 34.1 | Very low | 116 Ų | 116 | 150.7 Ų | 150.7 | 75% | 0.753 | 81% | 0.814 | S | S | * | * | trans | -90.7 | 171.6 | -170.6 | 37 | -37.1 | 0 | 0 | 0 | 114.2 | ||||
| 440 | A | 32.4 | Very low | 34.8 | Very low | 99 Ų | 99 | 150.8 Ų | 150.8 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | -121.9 | 149.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 441 | T | 33.5 | Very low | 35.5 | Very low | 141 Ų | 141 | 151 Ų | 151 | 87% | 0.865 | 81% | 0.806 | S | S | * | * | trans | -137.4 | 156.6 | 167.9 | 36 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 442 | P | 41.5 | Very low | 36.2 | Very low | 120 Ų | 120 | 149.9 Ų | 149.9 | 78% | 0.779 | 81% | 0.806 | S | S | * | * | trans | -103.3 | 158.5 | -151.1 | 38.1 | -35.8 | 0 | 0 | 0 | 116.3 | ||||
| 443 | L | 30.5 | Very low | 36.5 | Very low | 170 Ų | 170 | 149.5 Ų | 149.5 | 89% | 0.89 | 80% | 0.797 | S | S | * | * | trans | -125.4 | 166.2 | 162.3 | -108.7 | 79.7 | 0 | 0 | 0 | 110 | ||||
| 444 | P | 38.7 | Very low | 37.3 | Very low | 121 Ų | 121 | 144.5 Ų | 144.5 | 79% | 0.786 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 153.3 | -155.6 | -20 | 33.4 | 0 | 0 | 0 | 117.7 | ||
| 445 | Q | 33.3 | Very low | 37.7 | Very low | 166 Ų | 166 | 141.7 Ų | 141.7 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 120.4 | 177 | 175.7 | 179.4 | -20.1 | 0 | 0 | 111.6 | ||
| 446 | I | 34 | Very low | 38.7 | Very low | 166 Ų | 166 | 133.1 Ų | 133.1 | 85% | 0.851 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -96.6 | 118.7 | 166.6 | -60.8 | 177.6 | 0 | 0 | 0 | 108.2 | ||
| 447 | Q | 39.3 | Very low | 39.6 | Very low | 152 Ų | 152 | 128.5 Ų | 128.5 | 71% | 0.71 | 75% | 0.745 | S | S | * | * | trans | -107.2 | 117.9 | -175.5 | -175.6 | 176.9 | 4.7 | 0 | 0 | 110.7 | ||||
| 448 | P | 34.5 | Very low | 40.3 | Very low | 108 Ų | 108 | 127.2 Ų | 127.2 | 70% | 0.701 | 74% | 0.743 | S | S | * | * | trans | -70.6 | 133.2 | 171.5 | 28.9 | -32.7 | 0 | 0 | 0 | 110.3 | ||||
| 449 | N | 34.6 | Very low | 41.1 | Very low | 144 Ų | 144 | 124.3 Ų | 124.3 | 77% | 0.77 | 73% | 0.731 | S | S | * | * | trans | -85.7 | 112.3 | -174.4 | -173 | -101.1 | 0 | 0 | 0 | 111 | T451 | N449-T451 PolarHBondContact OD1-OG1 3.47Å; N449-T451 VanDerWaalsContact OD1-OG1 3.09Å | ||
| 450 | L | 44.4 | Very low | 41.4 | Very low | 144 Ų | 144 | 122.7 Ų | 122.7 | 75% | 0.754 | 73% | 0.727 | S | S | * | * | trans | -99 | 84.7 | -179.1 | -82 | 162.9 | 0 | 0 | 0 | 110.4 | ||||
| 451 | T | 46.9 | Very low | 42 | Very low | 101 Ų | 101 | 124 Ų | 124 | 62% | 0.62 | 73% | 0.727 | S | S | * | * | trans | -131.8 | 18.5 | -174.1 | -49 | 0 | 0 | 0 | 0 | 113.7 | N449 | N449-T451 PolarHBondContact OD1-OG1 3.47Å; N449-T451 VanDerWaalsContact OD1-OG1 3.09Å | ||
| 452 | N | 49.2 | Very low | 42.6 | Very low | 162 Ų | 162 | 121.1 Ų | 121.1 | 87% | 0.866 | 72% | 0.718 | S | S | * | * | trans | -145.3 | 100.3 | 164.6 | -91.3 | -67.3 | 0 | 0 | 0 | 111.2 | ||||
| 453 | L | 46.9 | Very low | 42.6 | Very low | 110 Ų | 110 | 122.1 Ų | 122.1 | 58% | 0.576 | 73% | 0.725 | S | S | * | * | trans | -136.1 | 145.1 | 164.7 | -75.4 | 173.9 | 0 | 0 | 0 | 108 | T457 | L453-T457 HydrophobicContact CD1-CG2 4.36Š| ||
| 454 | P | 48.3 | Very low | 43.2 | Very low | 88 Ų | 88 | 117.2 Ų | 117.2 | 57% | 0.571 | 72% | 0.715 | S | S | * | * | trans | -67.7 | 149.7 | 179.1 | 28.6 | -34.5 | 0 | 0 | 0 | 111.6 | G456 T457 | P454-G456 PolarHBondContact O-N 3.47Å; P454-T457 PolarHBondContact O-OG1 3.17Å; P454-T457 VanDerWaalsContact O-OG1 3.06Å | ||
| 455 | P | 41.2 | Very low | 43.7 | Very low | 140 Ų | 140 | 119 Ų | 119 | 91% | 0.909 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.3 | 136.8 | 176.8 | -25.6 | 34.6 | 0 | 0 | 0 | 112.4 | ||
| 456 | G | 53.6 | Low | 44.4 | Very low | 58 Ų | 58 | 114.1 Ų | 114.1 | 60% | 0.598 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 97.4 | 4.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 116 | P454 V458 | P454-G456 PolarHBondContact O-N 3.47Å; G456-V458 PolarHBondContact O-N 2.82Å |
| 457 | T | 47.1 | Very low | 44.7 | Very low | 67 Ų | 67 | 114.3 Ų | 114.3 | 41% | 0.411 | 72% | 0.72 | S | S | . | * | trans | -75.9 | 118.3 | 173.4 | -52.7 | 0 | 0 | 0 | 0 | 111 | L453 P454 | L453-T457 HydrophobicContact CD1-CG2 4.36Å; P454-T457 PolarHBondContact O-OG1 3.17Å; P454-T457 VanDerWaalsContact O-OG1 3.06Å | ||
| 458 | V | 49.9 | Very low | 45.2 | Very low | 121 Ų | 121 | 113.2 Ų | 113.2 | 73% | 0.733 | 72% | 0.724 | S | S | * | * | trans | -111.4 | 130.3 | 175.9 | -178.6 | 0 | 0 | 0 | 0 | 110.2 | G456 | G456-V458 PolarHBondContact O-N 2.82Š| ||
| 459 | L | 43.5 | Very low | 45.5 | Very low | 116 Ų | 116 | 111.1 Ų | 111.1 | 61% | 0.607 | 72% | 0.722 | S | S | * | * | trans | -99.9 | 125.1 | 176 | -67.6 | 170.6 | 0 | 0 | 0 | 110.3 | Y470 | L459-Y470 HydrophobicContact CD2-CD1 4.22Š| ||
| 460 | A | 46.1 | Very low | 46.3 | Very low | 82 Ų | 82 | 112.7 Ų | 112.7 | 68% | 0.678 | 72% | 0.718 | S | S | * | * | trans | -118.4 | 132 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 461 | P | 44.3 | Very low | 46.3 | Very low | 126 Ų | 126 | 110.3 Ų | 110.3 | 82% | 0.818 | 72% | 0.72 | S | S | * | * | trans | -69.9 | 140.7 | 173.3 | -17.8 | 31.7 | 0 | 0 | 0 | 112.3 | ||||
| 462 | A | 46.3 | Very low | 46.3 | Very low | 81 Ų | 81 | 111.7 Ų | 111.7 | 67% | 0.669 | 73% | 0.728 | S | S | * | * | trans | -78.1 | 138.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | G464 | A462-G464 PolarHBondContact O-N 2.9Å; A462-G464 VanDerWaalsContact O-N 3.1Å | ||
| 463 | P | 42.9 | Very low | 46 | Very low | 142 Ų | 142 | 110.6 Ų | 110.6 | 92% | 0.922 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -76.6 | 97.1 | 176.4 | -11 | 27.3 | 0 | 0 | 0 | 111.4 | ||
| 464 | G | 42.9 | Very low | 45.9 | Very low | 66 Ų | 66 | 110 Ų | 110 | 68% | 0.68 | 72% | 0.724 | S | S | * | * | S | Bend | trans | 178.4 | 133.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | A462 G466 | A462-G464 PolarHBondContact O-N 2.9Å; A462-G464 VanDerWaalsContact O-N 3.1Å; G464-G466 PolarHBondContact O-N 3.2Å; G464-G466 VanDerWaalsContact O-N 3.17Å |
| 465 | T | 47.7 | Very low | 45.9 | Very low | 159 Ų | 159 | 108.9 Ų | 108.9 | 98% | 0.975 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -85.3 | 83.8 | -178.1 | 51.3 | 0 | 0 | 0 | 0 | 111.8 | ||
| 466 | G | 48.2 | Very low | 46.2 | Very low | 63 Ų | 63 | 111.2 Ų | 111.2 | 65% | 0.649 | 72% | 0.721 | S | S | * | * | S | Bend | trans | 164.5 | 106.6 | 166.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | G464 | G464-G466 PolarHBondContact O-N 3.2Å; G464-G466 VanDerWaalsContact O-N 3.17Å |
| 467 | N | 41.4 | Very low | 45.9 | Very low | 170 Ų | 170 | 117.4 Ų | 117.4 | 91% | 0.909 | 73% | 0.728 | S | S | * | * | trans | 64.1 | 154 | 175.8 | -76 | -55 | 0 | 0 | 0 | 117.5 | ||||
| 468 | V | 50 | Low | 46.1 | Very low | 130 Ų | 130 | 118.7 Ų | 118.7 | 79% | 0.788 | 74% | 0.735 | S | S | * | * | trans | -91.9 | 131 | -170.1 | -69.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 469 | G | 39.6 | Very low | 46 | Very low | 64 Ų | 64 | 119.2 Ų | 119.2 | 66% | 0.66 | 74% | 0.738 | S | S | * | * | trans | -149 | 123.7 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 470 | Y | 52.3 | Low | 46.1 | Very low | 176 Ų | 176 | 121.8 Ų | 121.8 | 69% | 0.69 | 75% | 0.748 | S | S | * | * | trans | -103.5 | 133.2 | 177.1 | -62.7 | -81.6 | 0 | 0 | 0 | 109.9 | L459 | L459-Y470 HydrophobicContact CD2-CD1 4.22Š| ||
| 471 | A | 43.6 | Very low | 45.9 | Very low | 95 Ų | 95 | 125.2 Ų | 125.2 | 79% | 0.785 | 75% | 0.753 | S | S | * | * | trans | -105.7 | 125.1 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 472 | V | 48.4 | Very low | 45.7 | Very low | 130 Ų | 130 | 127.4 Ų | 127.4 | 79% | 0.788 | 75% | 0.753 | S | S | * | * | trans | -93.2 | 120.6 | 175 | -179.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 473 | L | 42.2 | Very low | 45 | Very low | 138 Ų | 138 | 132.9 Ų | 132.9 | 72% | 0.723 | 77% | 0.765 | S | S | * | * | trans | -112.2 | 139.5 | 175.5 | -77.3 | 167.3 | 0 | 0 | 0 | 110.3 | ||||
| 474 | P | 44.7 | Very low | 44.3 | Very low | 99 Ų | 99 | 131 Ų | 131 | 64% | 0.643 | 76% | 0.755 | S | S | * | * | trans | -61.1 | 136.9 | 173.8 | -23.5 | 34.5 | 0 | 0 | 0 | 112.2 | Q476 Y477 | P474-Q476 PolarHBondContact O-N 3.45Å; P474-Y477 PolarHBondContact O-N 2.85Å | ||
| 475 | A | 49 | Very low | 43.7 | Very low | 64 Ų | 64 | 133.1 Ų | 133.1 | 53% | 0.529 | 76% | 0.759 | S | S | . | * | G | 310 helix | trans | -59.6 | -21 | -172 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y477 V478 | A475-Y477 PolarHBondContact O-N 3.46Å; A475-Y477 VanDerWaalsContact O-N 3.08Å; A475-V478 PolarHBondContact O-N 2.9Å |
| 476 | Q | 46.8 | Very low | 42.9 | Very low | 188 Ų | 188 | 136.2 Ų | 136.2 | 88% | 0.879 | 76% | 0.755 | S | S | * | * | G | 310 helix | trans | -65.9 | -7.4 | -179.4 | -69.7 | -172.6 | -25.8 | 0 | 0 | 114.9 | P474 | P474-Q476 PolarHBondContact O-N 3.45Š|
| 477 | Y | 46.5 | Very low | 42 | Very low | 189 Ų | 189 | 139 Ų | 139 | 74% | 0.741 | 76% | 0.758 | S | S | * | * | G | 310 helix | trans | -103.2 | -2.8 | 178 | -119.1 | -91.5 | 0 | 0 | 0 | 115 | P474 A475 | P474-Y477 PolarHBondContact O-N 2.85Å; A475-Y477 PolarHBondContact O-N 3.46Å; A475-Y477 VanDerWaalsContact O-N 3.08Å |
| 478 | V | 51.2 | Low | 41.6 | Very low | 93 Ų | 93 | 136.3 Ų | 136.3 | 56% | 0.564 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -87.9 | -28.6 | -170.5 | -176.5 | 0 | 0 | 0 | 0 | 112.9 | A475 Q480 | A475-V478 PolarHBondContact O-N 2.9Å; V478-Q480 VanDerWaalsContact C-N 3.31Å; V478-Q480 PolarHBondContact O-N 3.45Å |
| 479 | T | 49.1 | Very low | 40.6 | Very low | 132 Ų | 132 | 137.8 Ų | 137.8 | 81% | 0.81 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78 | -3.6 | -172.3 | 41.5 | 0 | 0 | 0 | 0 | 115.6 | ||
| 480 | Q | 44.3 | Very low | 40.1 | Very low | 171 Ų | 171 | 139.3 Ų | 139.3 | 80% | 0.799 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105 | 11.1 | -175.9 | -147.8 | 174.6 | 35.1 | 0 | 0 | 114.6 | V478 | V478-Q480 VanDerWaalsContact C-N 3.31Å; V478-Q480 PolarHBondContact O-N 3.45Å |
| 481 | L | 41.9 | Very low | 39.1 | Very low | 153 Ų | 153 | 136.5 Ų | 136.5 | 80% | 0.801 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -128.5 | 17 | -176.7 | -73.8 | 174.3 | 0 | 0 | 0 | 115.3 | ||
| 482 | Q | 40.8 | Very low | 38.4 | Very low | 172 Ų | 172 | 140 Ų | 140 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | trans | -113.7 | 75.7 | 173.7 | -77.9 | -164.5 | -12.7 | 0 | 0 | 113.6 | ||||
| 483 | Q | 30.8 | Very low | 37.9 | Very low | 196 Ų | 196 | 139.1 Ų | 139.1 | 92% | 0.916 | 77% | 0.773 | S | S | * | * | trans | 178.6 | 132.5 | 147.1 | -96.8 | 147.9 | 86.6 | 0 | 0 | 106.6 | ||||
| 484 | S | 29.6 | Very low | 37.2 | Very low | 103 Ų | 103 | 138.7 Ų | 138.7 | 72% | 0.72 | 78% | 0.776 | S | S | * | * | cis | -145.6 | 157.4 | 19.2 | 50.2 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 485 | S | 30.2 | Very low | 36.5 | Very low | 110 Ų | 110 | 142.5 Ų | 142.5 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | trans | 24.1 | 116.3 | 154.8 | 57.6 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 486 | Y | 29.9 | Very low | 35.6 | Very low | 225 Ų | 225 | 145.6 Ų | 145.6 | 88% | 0.882 | 80% | 0.795 | S | S | * | * | trans | -122.1 | 144.3 | 155.7 | -157.2 | -91.2 | 0 | 0 | 0 | 109.5 | ||||
| 487 | V | 30.2 | Very low | 34.8 | Very low | 120 Ų | 120 | 139.9 Ų | 139.9 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | trans | -108.6 | 129.2 | -178.8 | 177.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 488 | S | 32.3 | Very low | 33.9 | Very low | 115 Ų | 115 | 137.2 Ų | 137.2 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | trans | -85.3 | 137.1 | 177.6 | -58 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 489 | I | 28.2 | Very low | 33.1 | Very low | 160 Ų | 160 | 138.9 Ų | 138.9 | 82% | 0.821 | 81% | 0.806 | S | S | * | * | trans | -126.8 | 128.5 | 164.1 | -62.5 | -178.4 | 0 | 0 | 0 | 108.1 | ||||
| 490 | A | 29.5 | Very low | 32.2 | Very low | 97 Ų | 97 | 136.1 Ų | 136.1 | 80% | 0.802 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -91.6 | 151.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 491 | S | 31.2 | Very low | 31.8 | Very low | 116 Ų | 116 | 136 Ų | 136 | 81% | 0.811 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -97.7 | 124.6 | -179.5 | -51 | 0 | 0 | 0 | 0 | 111.8 | ||
| 492 | N | 29.1 | Very low | 31.4 | Very low | 169 Ų | 169 | 137.4 Ų | 137.4 | 90% | 0.904 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -101.6 | 151.1 | 162.6 | -89.1 | -15.7 | 0 | 0 | 0 | 110 | ||
| 493 | S | 37.6 | Very low | 31 | Very low | 111 Ų | 111 | 135.6 Ų | 135.6 | 78% | 0.776 | 81% | 0.81 | S | S | * | * | trans | -116 | 121 | -171.1 | -53.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 494 | T | 28.7 | Very low | 31.2 | Very low | 130 Ų | 130 | 134.9 Ų | 134.9 | 80% | 0.798 | 81% | 0.807 | S | S | * | * | trans | -160.5 | 150.9 | 157.9 | 1.8 | 0 | 0 | 0 | 0 | 114 | ||||
| 495 | F | 28.9 | Very low | 31.2 | Very low | 178 Ų | 178 | 135 Ų | 135 | 78% | 0.781 | 81% | 0.813 | S | S | * | * | trans | 60.7 | 105.1 | 163.6 | -80.4 | -88.9 | 0 | 0 | 0 | 122.3 | ||||
| 496 | T | 30.6 | Very low | 31.2 | Very low | 130 Ų | 130 | 140.9 Ų | 140.9 | 80% | 0.798 | 82% | 0.819 | S | S | * | * | 29.1 | 133.9 | 129.7 | 63.9 | 0 | 0 | 0 | 0 | 122 | |||||
| 497 | G | 29.5 | Very low | 31.6 | Very low | 67 Ų | 67 | 137.4 Ų | 137.4 | 69% | 0.691 | 82% | 0.815 | S | S | * | * | trans | 161.3 | 84.1 | 152.2 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 498 | T | 28.7 | Very low | 31.8 | Very low | 134 Ų | 134 | 137.7 Ų | 137.7 | 82% | 0.822 | 82% | 0.819 | S | S | * | * | trans | 45.6 | 129.7 | 149.5 | 54.3 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 499 | S | 33.8 | Very low | 31.8 | Very low | 128 Ų | 128 | 141.1 Ų | 141.1 | 90% | 0.895 | 82% | 0.82 | S | S | * | * | trans | 71.1 | 110.8 | 141.5 | -58.1 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 500 | G | 31.3 | Very low | 32.6 | Very low | 73 Ų | 73 | 139.9 Ų | 139.9 | 75% | 0.753 | 82% | 0.815 | S | S | * | * | trans | -177.7 | 112.7 | 162.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 501 | I | 35.6 | Very low | 33 | Very low | 169 Ų | 169 | 137.8 Ų | 137.8 | 87% | 0.867 | 80% | 0.802 | S | S | * | * | trans | -81.2 | 127.3 | -176.1 | -61.6 | 171.7 | 0 | 0 | 0 | 110.4 | ||||
| 502 | Q | 33.2 | Very low | 33.2 | Very low | 183 Ų | 183 | 139.8 Ų | 139.8 | 86% | 0.855 | 80% | 0.803 | S | S | * | * | trans | -102.7 | 113.4 | 170.2 | -70.1 | -169.9 | -1 | 0 | 0 | 111.6 | ||||
| 503 | T | 31.3 | Very low | 33.7 | Very low | 134 Ų | 134 | 136.1 Ų | 136.1 | 82% | 0.822 | 78% | 0.782 | S | S | * | * | trans | -83.7 | 121.7 | 169.3 | -57.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 504 | Q | 35.8 | Very low | 33.9 | Very low | 181 Ų | 181 | 136.1 Ų | 136.1 | 85% | 0.846 | 78% | 0.779 | S | S | * | * | trans | -72 | 135.9 | 179.7 | -65.4 | -177.2 | -0.7 | 0 | 0 | 112.2 | R506 | Q504-R506 PolarHBondContact O-N 3.24Å; Q504-R506 VanDerWaalsContact O-N 3.1Å | ||
| 505 | A | 29.5 | Very low | 34.9 | Very low | 104 Ų | 104 | 136 Ų | 136 | 86% | 0.86 | 78% | 0.783 | S | S | * | * | trans | -73.6 | 98.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 506 | R | 30.2 | Very low | 35.6 | Very low | 234 Ų | 234 | 135.8 Ų | 135.8 | 88% | 0.883 | 79% | 0.785 | S | S | * | * | trans | -76.5 | 126.2 | 178.2 | -170.1 | -176.6 | -174.6 | -157.1 | 3.8 | 111 | Q504 | Q504-R506 PolarHBondContact O-N 3.24Å; Q504-R506 VanDerWaalsContact O-N 3.1Å | ||
| 507 | L | 39 | Very low | 36.3 | Very low | 153 Ų | 153 | 135.8 Ų | 135.8 | 80% | 0.801 | 79% | 0.791 | S | S | * | * | trans | -59.2 | 136.3 | 172.3 | -66 | 170.4 | 0 | 0 | 0 | 111.1 | F509 | L507-F509 PolarHBondContact O-N 2.98Š| ||
| 508 | P | 33.9 | Very low | 36.7 | Very low | 126 Ų | 126 | 136.3 Ų | 136.3 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | -75.4 | 87.7 | -179.2 | 30.2 | -34.7 | 0 | 0 | 0 | 111.7 | ||||
| 509 | F | 31.3 | Very low | 37.6 | Very low | 187 Ų | 187 | 135 Ų | 135 | 82% | 0.82 | 79% | 0.785 | S | S | * | * | trans | -67.5 | 131.2 | 173.8 | -151.5 | -95.9 | 0 | 0 | 0 | 110.7 | L507 G511 | L507-F509 PolarHBondContact O-N 2.98Å; F509-G511 PolarHBondContact O-N 3.09Å; F509-G511 VanDerWaalsContact O-N 3.15Å | ||
| 510 | N | 46.1 | Very low | 38.6 | Very low | 134 Ų | 134 | 134.6 Ų | 134.6 | 72% | 0.717 | 76% | 0.764 | S | S | * | * | trans | -85.6 | 96.7 | -160.8 | -163.8 | -0.5 | 0 | 0 | 0 | 114.2 | ||||
| 511 | G | 36.6 | Very low | 39.8 | Very low | 52 Ų | 52 | 137.8 Ų | 137.8 | 54% | 0.536 | 77% | 0.771 | S | S | . | * | trans | 153.1 | 134.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | F509 | F509-G511 PolarHBondContact O-N 3.09Å; F509-G511 VanDerWaalsContact O-N 3.15Å | ||
| 512 | I | 37.4 | Very low | 41.7 | Very low | 159 Ų | 159 | 136.5 Ų | 136.5 | 82% | 0.815 | 76% | 0.755 | S | S | * | * | cis | -127 | 161.3 | 29.2 | -53.5 | 100.3 | 0 | 0 | 0 | 110.5 | ||||
| 513 | I | 38.6 | Very low | 44.4 | Very low | 92 Ų | 92 | 136.9 Ų | 136.9 | 47% | 0.472 | 75% | 0.754 | S | S | . | * | trans | -115 | 121.7 | 162 | -77.3 | -168 | 0 | 0 | 0 | 109 | ||||
| 514 | P | 42.8 | Very low | 47.4 | Very low | 110 Ų | 110 | 133.2 Ų | 133.2 | 71% | 0.714 | 73% | 0.733 | S | S | * | * | trans | -65.3 | 154.1 | 161.4 | -17.2 | 32 | 0 | 0 | 0 | 111 | E516 | P514-E516 PolarHBondContact O-N 3.39Š| ||
| 515 | S | 48.9 | Very low | 50.3 | Low | 127 Ų | 127 | 124.9 Ų | 124.9 | 89% | 0.888 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -76.4 | 84.6 | -171.6 | 55.5 | 0 | 0 | 0 | 0 | 113.9 | ||
| 516 | E | 42.5 | Very low | 53.5 | Low | 174 Ų | 174 | 125.1 Ų | 125.1 | 81% | 0.813 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -121.4 | 155.7 | 154.2 | -76 | -167.5 | 124 | 0 | 0 | 110.5 | P514 A518 | P514-E516 PolarHBondContact O-N 3.39Å; E516-A518 PolarHBondContact O-N 3.43Å |
| 517 | S | 45.8 | Very low | 56.8 | Low | 131 Ų | 131 | 114.8 Ų | 114.8 | 92% | 0.916 | 64% | 0.644 | S | S | * | * | trans | -78.4 | 49.9 | -167.5 | 51.1 | 0 | 0 | 0 | 0 | 114.4 | S519 | S517-S519 PolarHBondContact O-N 3.2Š| ||
| 518 | A | 38.1 | Very low | 59.5 | Low | 77 Ų | 77 | 111.5 Ų | 111.5 | 64% | 0.636 | 63% | 0.631 | S | S | * | * | trans | -80.5 | 96.1 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | E516 R520 | E516-A518 PolarHBondContact O-N 3.43Å; A518-R520 PolarHBondContact O-N 3.23Å | ||
| 519 | S | 47.4 | Very low | 62.5 | Low | 108 Ų | 108 | 114.6 Ų | 114.6 | 76% | 0.755 | 63% | 0.631 | S | S | * | * | trans | -67.3 | 88.9 | 179.9 | 57 | 0 | 0 | 0 | 0 | 111.7 | S517 | S517-S519 PolarHBondContact O-N 3.2Š| ||
| 520 | R | 55.4 | Low | 65.6 | Low | 119 Ų | 119 | 106.1 Ų | 106.1 | 45% | 0.449 | 60% | 0.595 | S | S | . | * | trans | -52.4 | 130.3 | 161.5 | -55.1 | -167.6 | -155.6 | -156.8 | 6.3 | 107.5 | A518 R522 | A518-R520 PolarHBondContact O-N 3.23Å; R520-R522 PolarHBondContact O-N 2.9Å | ||
| 521 | P | 56.5 | Low | 68.1 | Low | 139 Ų | 139 | 102.8 Ų | 102.8 | 90% | 0.903 | 58% | 0.577 | S | S | * | * | trans | -52.6 | 105.9 | 179.2 | -29.5 | 36.4 | 0 | 0 | 0 | 111.4 | ||||
| 522 | R | 76.2 | Confident | 71 | Confident | 143 Ų | 143 | 100.3 Ų | 100.3 | 54% | 0.54 | 55% | 0.552 | S | S | . | * | P | Polyproline II helix | trans | -76.8 | 154 | 176.2 | -61.7 | -55.2 | -159.3 | -165.8 | 1.3 | 108.6 | R520 E544 | R520-R522 PolarHBondContact O-N 2.9Å; R522-E544 IonicContact CZ-OE1 2.79Å; R522-E544 IonicContact CZ-OE2 3.14Å; R522-E544 IonicContact NE-OE1 2.71Å; R522-E544 PolarHBondContact NE-OE1 3.11Å; R522-E544 IonicContact NE-OE2 2.75Å; R522-E544 PolarHBondContact NE-OE2 3.31Å; R522-E544 IonicContact NH2-OE1 3.66Å; R522-E544 PolarHBondContact NH2-OE1 3.08Å; R522-E544 IonicContact NH2-OE2 3.24Å |
| 523 | K | 88.7 | Confident | 73.9 | Confident | 191 Ų | 191 | 93.8 Ų | 93.8 | 83% | 0.83 | 52% | 0.518 | S | S | * | . | P | Polyproline II helix | trans | -69 | 126.4 | 167.5 | -68.4 | -176.9 | 178.9 | 179.1 | 0 | 108.1 | C525 | K523-C525 PolarHBondContact O-N 2.96Š|
| 524 | P | 94.9 | Very high | 76.6 | Confident | 57 Ų | 57 | 94.2 Ų | 94.2 | 37% | 0.37 | 52% | 0.517 | S | S | . | . | P | Polyproline II helix | trans | -65.1 | 134.9 | 176.4 | 26.9 | -34.1 | 0 | 0 | 0 | 109.8 | N526 N548 | P524-N526 PolarHBondContact O-ND2 3.33Å; P524-N526 VanDerWaalsContact O-ND2 3.16Å; P524-N548 WeakPolarHBondContact CB-O 3.32Å |
| 525 | C | 97 | Very high | 79.1 | Confident | 6 Ų | 6 | 92.7 Ų | 92.7 | 4% | 0.041 | 50% | 0.502 | C | S | . | . | P | Polyproline II helix | trans | -77.8 | 148.4 | 175.4 | 77.6 | 0 | 0 | 0 | 0 | 110.9 | K523 C537 C549 N550 C551 | K523-C525 PolarHBondContact O-N 2.96Å; C525-C537 VanDerWaalsContact SG-SG 3.67Å; C525-C549 PolarHBondContact N-SG 2.93Å; C525-C549 VanDerWaalsContact N-SG 3.41Å; C525-N550 CarbonylContact O-C 3.56Å; C525-N550 WeakPolarHBondContact O-CA 3.33Å; C525-N550 PolarHBondContact O-N 3.31Å; C525-C551 PolarHBondContact O-N 2.82Å |
| 526 | N | 97 | Very high | 81.3 | Confident | 108 Ų | 108 | 96.1 Ų | 96.1 | 58% | 0.578 | 50% | 0.497 | S | S | * | . | trans | -116 | 40.1 | -176.3 | -55.9 | -91.5 | 0 | 0 | 0 | 110.1 | P524 N550 | P524-N526 PolarHBondContact O-ND2 3.33Å; P524-N526 VanDerWaalsContact O-ND2 3.16Å; N526-N550 VanDerWaalsContact OD1-CB 3.25Å; N526-N550 WeakPolarHBondContact OD1-CB 3.25Å; N526-N550 PolarHBondContact OD1-ND2 3.25Å | ||
| 527 | C | 98 | Very high | 83.9 | Confident | 17 Ų | 17 | 87.9 Ų | 87.9 | 12% | 0.115 | 46% | 0.458 | C | S | . | . | trans | -77.3 | 134 | -170.4 | -74.3 | 0 | 0 | 0 | 0 | 112.5 | S530 C537 C551 T552 | C527-S530 WeakPolarHBondContact CB-OG 3.3Å; C527-C537 VanDerWaalsContact SG-CB 3.57Å; C527-C551 HydrophobicContact CB-CB 3.93Å; C527-C551 CarbonylContact O-C 3.45Å; C527-C551 WeakPolarHBondContact O-CA 3.33Å; C527-C551 WeakPolarHBondContact O-CB 3.41Å; C527-T552 PolarHBondContact O-N 2.83Å | ||
| 528 | T | 97.3 | Very high | 86.2 | Confident | 85 Ų | 85 | 87 Ų | 87 | 52% | 0.521 | 44% | 0.443 | S | S | . | . | S | Bend | trans | -123.8 | -31.9 | 179.6 | 57.2 | 0 | 0 | 0 | 0 | 114.8 | T552 | T528-T552 WeakPolarHBondContact CA-OG1 3.36Š|
| 529 | K | 96.8 | Very high | 89 | Confident | 190 Ų | 190 | 83.9 Ų | 83.9 | 83% | 0.826 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -111 | 0 | -176.1 | -61.8 | -175.1 | -179.3 | -177.8 | 0 | 114.7 | ||
| 530 | S | 95.9 | Very high | 91.3 | Very high | 10 Ų | 10 | 78.8 Ų | 78.8 | 7% | 0.07 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -98.1 | -13.6 | -179 | 59.3 | 0 | 0 | 0 | 0 | 114 | C527 C532 L533 | C527-S530 WeakPolarHBondContact CB-OG 3.3Å; S530-C532 PolarHBondContact O-N 2.74Å; S530-C532 VanDerWaalsContact O-N 3.1Å; S530-C532 PolarHBondContact OG-N 3.27Å; S530-L533 PolarHBondContact O-N 2.88Å |
| 531 | L | 97.5 | Very high | 93.2 | Very high | 64 Ų | 64 | 74.2 Ų | 74.2 | 34% | 0.335 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.3 | 17.9 | -163.2 | -50.5 | 178 | 0 | 0 | 0 | 113.2 | L533 N553 Y555 | L531-L533 HydrophobicContact CB-CG 4.45Å; L531-L533 PolarHBondContact O-N 3.5Å; L531-L533 VanDerWaalsContact O-N 3.16Å; L531-N553 WeakPolarHBondContact CA-O 3.43Å; L531-N553 HydrophobicContact CD2-CB 3.65Å; L531-N553 VanDerWaalsContact CD2-O 3.31Å; L531-N553 WeakPolarHBondContact CD2-O 3.21Å; L531-Y555 HydrophobicContact CB-CG 4.46Å; L531-Y555 HydrophobicContact CD1-CD2 4.24Å; L531-Y555 HydrophobicContact CD1-CE2 4.34Å; L531-Y555 PolarHBondContact O-N 2.74Å |
| 532 | C | 98.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 72.8 Ų | 72.8 | 0% | 0 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 57.4 | 11.8 | -164.5 | -57.1 | 0 | 0 | 0 | 0 | 115.2 | S530 K534 C537 F540 C546 C551 C554 N556 | S530-C532 PolarHBondContact O-N 2.74Å; S530-C532 VanDerWaalsContact O-N 3.1Å; S530-C532 PolarHBondContact OG-N 3.27Å; C532-K534 PolarHBondContact O-N 3.16Å; C532-C537 HydrophobicContact CB-CB 4.29Å; C532-F540 WeakPolarHBondContact O-CB 3.38Å; C532-F540 VanDerWaalsContact O-CD2 3.23Å; C532-F540 WeakPolarHBondContact O-CD2 3.41Å; C532-F540 WeakPolarHBondContact O-CG 3.47Å; C532-C546 VanDerWaalsContact SG-SG 3.7Å; C532-C551 VanDerWaalsContact SG-CB 3.51Å; C532-C554 VanDerWaalsContact SG-SG 3.64Å; C532-N556 HydrophobicContact CB-CB 3.43Å; C532-N556 VanDerWaalsContact CB-CB 3.43Å |
| 533 | L | 97.5 | Very high | 95.8 | Very high | 22 Ų | 22 | 67.6 Ų | 67.6 | 12% | 0.115 | 35% | 0.345 | C | S | . | . | trans | -97.8 | 27.9 | -178.8 | -66.5 | -171.4 | 0 | 0 | 0 | 114.1 | S530 L531 F540 Y555 E563 R564 A567 | S530-L533 PolarHBondContact O-N 2.88Å; L531-L533 HydrophobicContact CB-CG 4.45Å; L531-L533 PolarHBondContact O-N 3.5Å; L531-L533 VanDerWaalsContact O-N 3.16Å; L533-F540 HydrophobicContact CD2-CD2 4.37Å; L533-F540 HydrophobicContact CD2-CE2 4.08Å; L533-Y555 HydrophobicContact CD1-CD2 4.09Å; L533-Y555 HydrophobicContact CD1-CG 4.41Å; L533-Y555 WeakPolarHBondContact CD2-O 3.33Å; L533-E563 HydrophobicContact CD1-CB 3.83Å; L533-R564 HydrophobicContact CD2-CB 3.93Å; L533-R564 HydrophobicContact CD2-CG 4.1Å; L533-A567 HydrophobicContact CB-CB 3.82Å; L533-A567 HydrophobicContact CD1-CB 4.32Å; L533-A567 HydrophobicContact CD2-CB 4.25Å; L533-A567 HydrophobicContact CG-CB 4.36Å | ||
| 534 | K | 96.8 | Very high | 96.1 | Very high | 101 Ų | 101 | 61.9 Ų | 61.9 | 44% | 0.439 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -146.9 | 150.6 | -176.6 | -58.7 | 178 | -172.8 | 167.5 | 0 | 109.3 | C532 Y536 C537 | C532-K534 PolarHBondContact O-N 3.16Å; K534-Y536 HydrophobicContact CB-CD2 3.71Å; K534-Y536 HydrophobicContact CB-CE2 4.31Å; K534-Y536 HydrophobicContact CD-CD2 4.07Å; K534-Y536 HydrophobicContact CD-CE2 4.15Å; K534-Y536 PolarHBondContact O-N 3.1Å; K534-C537 WeakPolarHBondContact O-CB 3.24Å; K534-C537 PolarHBondContact O-N 2.93Å |
| 535 | L | 95.1 | Very high | 96.2 | Very high | 78 Ų | 78 | 63 Ų | 63 | 41% | 0.408 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | 3.4 | 178.1 | -56.4 | 175.8 | 0 | 0 | 0 | 115.2 | C537 F540 A541 A578 F579 | L535-C537 VanDerWaalsContact C-N 3.29Å; L535-F540 HydrophobicContact CD2-CD1 4.17Å; L535-F540 HydrophobicContact CD2-CE1 4.27Å; L535-A541 HydrophobicContact CD2-CB 4.1Å; L535-A578 HydrophobicContact CD1-CB 4.25Å; L535-F579 HydrophobicContact CD2-CD1 4.35Å; L535-F579 HydrophobicContact CD2-CE1 3.81Å; L535-F579 HydrophobicContact CD2-CZ 4.25Å |
| 536 | Y | 94.8 | Very high | 96.2 | Very high | 199 Ų | 199 | 63.8 Ų | 63.8 | 78% | 0.78 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -10.6 | 164.8 | -51 | -65.8 | 0 | 0 | 0 | 113.1 | K534 | K534-Y536 HydrophobicContact CB-CD2 3.71Å; K534-Y536 HydrophobicContact CB-CE2 4.31Å; K534-Y536 HydrophobicContact CD-CD2 4.07Å; K534-Y536 HydrophobicContact CD-CE2 4.15Å; K534-Y536 PolarHBondContact O-N 3.1Å |
| 537 | C | 97.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -101.6 | 121 | 172.2 | 174.3 | 0 | 0 | 0 | 0 | 108.6 | C525 C527 C532 K534 L535 C539 F540 A541 | C525-C537 VanDerWaalsContact SG-SG 3.67Å; C527-C537 VanDerWaalsContact SG-CB 3.57Å; C532-C537 HydrophobicContact CB-CB 4.29Å; K534-C537 WeakPolarHBondContact O-CB 3.24Å; K534-C537 PolarHBondContact O-N 2.93Å; L535-C537 VanDerWaalsContact C-N 3.29Å; C537-C539 VanDerWaalsContact C-N 3.33Å; C537-C539 PolarHBondContact O-N 2.89Å; C537-F540 HydrophobicContact CB-CB 4.13Å; C537-F540 PolarHBondContact O-N 3.47Å; C537-A541 WeakPolarHBondContact O-CB 3.31Å; C537-A541 PolarHBondContact O-N 3.37Å |
| 538 | D | 93.8 | Very high | 96 | Very high | 112 Ų | 112 | 70.3 Ų | 70.3 | 60% | 0.599 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -64.3 | -35.6 | -176.7 | -58.1 | -56.7 | 0 | 0 | 0 | 112.7 | A541 N542 | D538-A541 PolarHBondContact O-N 2.99Å; D538-N542 PolarHBondContact O-N 3.21Å; D538-N542 PolarHBondContact O-ND2 3.2Å |
| 539 | C | 96.1 | Very high | 96 | Very high | 12 Ų | 12 | 67.8 Ų | 67.8 | 8% | 0.081 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -58 | -54.6 | 175.9 | -54.1 | 0 | 0 | 0 | 0 | 110.4 | C537 A541 N542 G543 E544 C546 | C537-C539 VanDerWaalsContact C-N 3.33Å; C537-C539 PolarHBondContact O-N 2.89Å; C539-A541 PolarHBondContact O-N 3.3Å; C539-N542 PolarHBondContact O-N 3.04Å; C539-N542 VanDerWaalsContact O-N 3.15Å; C539-G543 PolarHBondContact O-N 2.88Å; C539-E544 CarbonylContact C-O 2.97Å; C539-E544 VanDerWaalsContact C-O 3.24Å; C539-E544 PolarHBondContact O-N 3.21Å; C539-E544 VanDerWaalsContact O-O 3.06Å; C539-C546 VanDerWaalsContact CB-SG 3.58Å |
| 540 | F | 96.8 | Very high | 96 | Very high | 1 Ų | 1 | 63.5 Ų | 63.5 | 0% | 0.004 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.7 | -39.1 | 178 | -175.8 | -92.1 | 0 | 0 | 0 | 112.6 | C532 L533 L535 C537 N542 G543 R564 A567 I568 F579 | C532-F540 WeakPolarHBondContact O-CB 3.38Å; C532-F540 VanDerWaalsContact O-CD2 3.23Å; C532-F540 WeakPolarHBondContact O-CD2 3.41Å; C532-F540 WeakPolarHBondContact O-CG 3.47Å; L533-F540 HydrophobicContact CD2-CD2 4.37Å; L533-F540 HydrophobicContact CD2-CE2 4.08Å; L535-F540 HydrophobicContact CD2-CD1 4.17Å; L535-F540 HydrophobicContact CD2-CE1 4.27Å; C537-F540 HydrophobicContact CB-CB 4.13Å; C537-F540 PolarHBondContact O-N 3.47Å; F540-N542 PolarHBondContact O-N 3.26Å; F540-G543 WeakPolarHBondContact O-CA 3.44Å; F540-G543 PolarHBondContact O-N 3.42Å; F540-R564 HydrophobicContact CE2-CG 4.39Å; F540-A567 HydrophobicContact CE2-CB 4.26Å; F540-A567 HydrophobicContact CZ-CB 3.94Å; F540-I568 HydrophobicContact CE2-CG1 3.83Å; F540-I568 HydrophobicContact CZ-CG1 3.92Å; F540-F579 HydrophobicContact CD1-CE1 4.08Å; F540-F579 HydrophobicContact CD1-CZ 4.45Å; F540-F579 AromaticContact CE1-CE1 3.82Å; F540-F579 HydrophobicContact CE1-CE1 3.82Å; F540-F579 AromaticContact CE1-CZ 3.74Å; F540-F579 HydrophobicContact CE1-CZ 3.74Å; F540-F579 HydrophobicContact CZ-CE1 4.28Å; F540-F579 AromaticContact CZ-CZ 3.96Å; F540-F579 HydrophobicContact CZ-CZ 3.96Å; F540-F579 VanDerWaalsContact O-CE1 3.27Å; F540-F579 WeakPolarHBondContact O-CE1 3.25Å |
| 541 | A | 94.8 | Very high | 96.1 | Very high | 24 Ų | 24 | 64.1 Ų | 64.1 | 20% | 0.198 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -64 | -26.6 | 176 | 0 | 0 | 0 | 0 | 0 | 113.4 | L535 C537 D538 C539 G543 | L535-A541 HydrophobicContact CD2-CB 4.1Å; C537-A541 WeakPolarHBondContact O-CB 3.31Å; C537-A541 PolarHBondContact O-N 3.37Å; D538-A541 PolarHBondContact O-N 2.99Å; C539-A541 PolarHBondContact O-N 3.3Å; A541-G543 VanDerWaalsContact C-N 3.35Å |
| 542 | N | 93.2 | Very high | 96.1 | Very high | 108 Ų | 108 | 64.6 Ų | 64.6 | 58% | 0.578 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | -2.7 | 170.7 | -70.5 | -63.8 | 0 | 0 | 0 | 113.3 | D538 C539 F540 E544 | D538-N542 PolarHBondContact O-N 3.21Å; D538-N542 PolarHBondContact O-ND2 3.2Å; C539-N542 PolarHBondContact O-N 3.04Å; C539-N542 VanDerWaalsContact O-N 3.15Å; F540-N542 PolarHBondContact O-N 3.26Å; N542-E544 HydrophobicContact CB-CG 4.2Å; N542-E544 PolarHBondContact O-N 2.97Å |
| 543 | G | 93.9 | Very high | 96 | Very high | 34 Ų | 34 | 70.3 Ų | 70.3 | 35% | 0.351 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.3 | -1 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | C539 F540 A541 R564 | C539-G543 PolarHBondContact O-N 2.88Å; F540-G543 WeakPolarHBondContact O-CA 3.44Å; F540-G543 PolarHBondContact O-N 3.42Å; A541-G543 VanDerWaalsContact C-N 3.35Å; G543-R564 PolarHBondContact O-NH2 2.84Å |
| 544 | E | 94.8 | Very high | 96 | Very high | 72 Ų | 72 | 70.4 Ų | 70.4 | 34% | 0.336 | 37% | 0.373 | S | S | . | . | trans | -80 | 145 | -178.9 | -62.6 | -178.8 | 175 | 0 | 0 | 110.8 | R522 C539 N542 N556 | R522-E544 IonicContact CZ-OE1 2.79Å; R522-E544 IonicContact CZ-OE2 3.14Å; R522-E544 IonicContact NE-OE1 2.71Å; R522-E544 PolarHBondContact NE-OE1 3.11Å; R522-E544 IonicContact NE-OE2 2.75Å; R522-E544 PolarHBondContact NE-OE2 3.31Å; R522-E544 IonicContact NH2-OE1 3.66Å; R522-E544 PolarHBondContact NH2-OE1 3.08Å; R522-E544 IonicContact NH2-OE2 3.24Å; C539-E544 CarbonylContact C-O 2.97Å; C539-E544 VanDerWaalsContact C-O 3.24Å; C539-E544 PolarHBondContact O-N 3.21Å; C539-E544 VanDerWaalsContact O-O 3.06Å; N542-E544 HydrophobicContact CB-CG 4.2Å; N542-E544 PolarHBondContact O-N 2.97Å; E544-N556 PolarHBondContact O-ND2 2.82Å | ||
| 545 | F | 97.1 | Very high | 96.1 | Very high | 81 Ų | 81 | 69.6 Ų | 69.6 | 36% | 0.355 | 37% | 0.368 | S | S | . | . | trans | -65.2 | 153.6 | 166.9 | -68.4 | -76.9 | 0 | 0 | 0 | 110.6 | N547 L558 R564 | F545-N547 PolarHBondContact O-N 3.44Å; F545-L558 HydrophobicContact CE1-CD2 3.98Å; F545-L558 HydrophobicContact CE1-CG 4.34Å; F545-L558 HydrophobicContact CE2-CD2 3.99Å; F545-L558 HydrophobicContact CZ-CD2 3.48Å; F545-L558 VanDerWaalsContact CZ-CD2 3.48Å; F545-L558 HydrophobicContact CZ-CG 4.24Å; F545-R564 VanDerWaalsContact CE1-NE 3.3Å | ||
| 546 | C | 97.4 | Very high | 96.2 | Very high | 22 Ų | 22 | 65.9 Ų | 65.9 | 15% | 0.149 | 35% | 0.349 | C | S | . | . | trans | -74.4 | 112.6 | 172.4 | -73.6 | 0 | 0 | 0 | 0 | 109.9 | C532 C539 C549 C554 N556 | C532-C546 VanDerWaalsContact SG-SG 3.7Å; C539-C546 VanDerWaalsContact CB-SG 3.58Å; C546-C549 HydrophobicContact CB-CB 4.23Å; C546-C554 VanDerWaalsContact CB-SG 3.57Å; C546-N556 HydrophobicContact CB-CB 4.5Å; C546-N556 PolarHBondContact N-ND2 3.27Å; C546-N556 PolarHBondContact N-O 2.9Å; C546-N556 PolarHBondContact SG-ND2 2.95Å | ||
| 547 | N | 96.1 | Very high | 96.4 | Very high | 119 Ų | 119 | 58.1 Ų | 58.1 | 64% | 0.636 | 32% | 0.321 | S | S | * | . | trans | -116.2 | 138 | 174.1 | -166.7 | 10.3 | 0 | 0 | 0 | 110.4 | F545 C549 | F545-N547 PolarHBondContact O-N 3.44Å; N547-C549 PolarHBondContact O-N 3.14Å; N547-C549 VanDerWaalsContact O-N 3.09Å; N547-C549 PolarHBondContact O-SG 2.92Å | ||
| 548 | N | 95 | Very high | 96.3 | Very high | 143 Ų | 143 | 64.1 Ų | 64.1 | 77% | 0.765 | 35% | 0.352 | S | S | * | . | S | Bend | trans | 41.8 | 41.9 | -175.4 | -60.1 | 107.8 | 0 | 0 | 0 | 114.5 | P524 | P524-N548 WeakPolarHBondContact CB-O 3.32Š|
| 549 | C | 97 | Very high | 96.5 | Very high | 31 Ų | 31 | 65.5 Ų | 65.5 | 21% | 0.209 | 36% | 0.355 | C | S | . | . | trans | -98.2 | 153.2 | -175.3 | -73.9 | 0 | 0 | 0 | 0 | 113.6 | C525 C546 N547 C551 | C525-C549 PolarHBondContact N-SG 2.93Å; C525-C549 VanDerWaalsContact N-SG 3.41Å; C546-C549 HydrophobicContact CB-CB 4.23Å; N547-C549 PolarHBondContact O-N 3.14Å; N547-C549 VanDerWaalsContact O-N 3.09Å; N547-C549 PolarHBondContact O-SG 2.92Å; C549-C551 VanDerWaalsContact CB-SG 3.52Å; C549-C551 PolarHBondContact O-N 2.85Å | ||
| 550 | N | 97.1 | Very high | 96.5 | Very high | 101 Ų | 101 | 67.3 Ų | 67.3 | 54% | 0.54 | 36% | 0.362 | S | S | . | . | trans | -89.1 | 26.4 | 179.2 | -56.1 | -16.8 | 0 | 0 | 0 | 112.4 | C525 N526 | C525-N550 CarbonylContact O-C 3.56Å; C525-N550 WeakPolarHBondContact O-CA 3.33Å; C525-N550 PolarHBondContact O-N 3.31Å; N526-N550 VanDerWaalsContact OD1-CB 3.25Å; N526-N550 WeakPolarHBondContact OD1-CB 3.25Å; N526-N550 PolarHBondContact OD1-ND2 3.25Å | ||
| 551 | C | 97.6 | Very high | 96.5 | Very high | 23 Ų | 23 | 69.9 Ų | 69.9 | 16% | 0.155 | 37% | 0.374 | C | S | . | . | trans | -91.9 | 133.1 | -173 | 51.3 | 0 | 0 | 0 | 0 | 112.1 | C525 C527 C532 C549 C554 | C525-C551 PolarHBondContact O-N 2.82Å; C527-C551 HydrophobicContact CB-CB 3.93Å; C527-C551 CarbonylContact O-C 3.45Å; C527-C551 WeakPolarHBondContact O-CA 3.33Å; C527-C551 WeakPolarHBondContact O-CB 3.41Å; C532-C551 VanDerWaalsContact SG-CB 3.51Å; C549-C551 VanDerWaalsContact CB-SG 3.52Å; C549-C551 PolarHBondContact O-N 2.85Å; C551-C554 VanDerWaalsContact SG-CB 3.6Å; C551-C554 VanDerWaalsContact SG-SG 3.69Å | ||
| 552 | T | 97.7 | Very high | 96.7 | Very high | 73 Ų | 73 | 75.1 Ų | 75.1 | 45% | 0.448 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | 146.7 | 175.1 | 63.5 | 0 | 0 | 0 | 0 | 111 | C527 T528 C554 | C527-T552 PolarHBondContact O-N 2.83Å; T528-T552 WeakPolarHBondContact CA-OG1 3.36Å; T552-C554 VanDerWaalsContact C-N 3.31Å; T552-C554 PolarHBondContact O-N 2.89Å |
| 553 | N | 96.6 | Very high | 96.9 | Very high | 120 Ų | 120 | 74 Ų | 74 | 64% | 0.642 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.7 | 49.6 | -177.8 | -60 | -1.9 | 0 | 0 | 0 | 113 | L531 Y555 | L531-N553 WeakPolarHBondContact CA-O 3.43Å; L531-N553 HydrophobicContact CD2-CB 3.65Å; L531-N553 VanDerWaalsContact CD2-O 3.31Å; L531-N553 WeakPolarHBondContact CD2-O 3.21Å; N553-Y555 PolarHBondContact O-N 3.34Å |
| 554 | C | 98.1 | Very high | 97.1 | Very high | 24 Ų | 24 | 73.2 Ų | 73.2 | 16% | 0.162 | 38% | 0.376 | C | S | . | . | trans | -73.6 | 120 | -178.5 | -171.3 | 0 | 0 | 0 | 0 | 111.8 | C532 C546 C551 T552 N556 N557 | C532-C554 VanDerWaalsContact SG-SG 3.64Å; C546-C554 VanDerWaalsContact CB-SG 3.57Å; C551-C554 VanDerWaalsContact SG-CB 3.6Å; C551-C554 VanDerWaalsContact SG-SG 3.69Å; T552-C554 VanDerWaalsContact C-N 3.31Å; T552-C554 PolarHBondContact O-N 2.89Å; C554-N556 PolarHBondContact SG-N 3.26Å; C554-N557 PolarHBondContact O-ND2 2.91Å | ||
| 555 | Y | 98.2 | Very high | 97.2 | Very high | 84 Ų | 84 | 74.4 Ų | 74.4 | 33% | 0.329 | 38% | 0.382 | S | S | . | . | trans | -107.4 | 10.6 | 170.2 | -72.2 | 9 | 0 | 0 | 0 | 111.7 | L531 L533 N553 N557 H560 E563 | L531-Y555 HydrophobicContact CB-CG 4.46Å; L531-Y555 HydrophobicContact CD1-CD2 4.24Å; L531-Y555 HydrophobicContact CD1-CE2 4.34Å; L531-Y555 PolarHBondContact O-N 2.74Å; L533-Y555 HydrophobicContact CD1-CD2 4.09Å; L533-Y555 HydrophobicContact CD1-CG 4.41Å; L533-Y555 WeakPolarHBondContact CD2-O 3.33Å; N553-Y555 PolarHBondContact O-N 3.34Å; Y555-N557 VanDerWaalsContact C-N 3.26Å; Y555-N557 PolarHBondContact O-N 3.33Å; Y555-H560 HydrophobicContact CD1-CB 4.32Å; Y555-H560 AromaticContact CD1-CD2 3.41Å; Y555-H560 VanDerWaalsContact CD1-CD2 3.41Å; Y555-H560 WeakPolarHBondContact CD1-CD2 3.3Å; Y555-H560 AromaticContact CD1-CE1 3.67Å; Y555-H560 AromaticContact CD1-CG 3.57Å; Y555-H560 AromaticContact CD1-ND1 3.72Å; Y555-H560 AromaticContact CD1-NE2 3.47Å; Y555-H560 WeakPolarHBondContact CD1-NE2 3.49Å; Y555-H560 HydrophobicContact CD2-CB 4.3Å; Y555-H560 AromaticContact CD2-CD2 3.94Å; Y555-H560 AromaticContact CE1-CD2 3.44Å; Y555-H560 VanDerWaalsContact CE1-CD2 3.44Å; Y555-H560 WeakPolarHBondContact CE1-CD2 3.41Å; Y555-H560 AromaticContact CE1-CE1 3.83Å; Y555-H560 AromaticContact CE1-NE2 3.24Å; Y555-H560 WeakPolarHBondContact CE1-NE2 3.32Å; Y555-H560 AromaticContact CE2-CD2 3.96Å; Y555-H560 HydrophobicContact CG-CB 3.88Å; Y555-H560 AromaticContact CG-CD2 3.67Å; Y555-H560 AromaticContact CG-CG 3.63Å; Y555-H560 AromaticContact CZ-CD2 3.71Å; Y555-H560 AromaticContact CZ-NE2 3.83Å; Y555-E563 HydrophobicContact CD2-CB 4.12Å; Y555-E563 HydrophobicContact CD2-CG 4.05Å; Y555-E563 HydrophobicContact CE2-CG 4.27Å | ||
| 556 | N | 97.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 78.5 Ų | 78.5 | 0% | 0 | 40% | 0.4 | C | S | . | . | S | Bend | trans | -92.2 | 58.4 | 173.1 | -174.4 | 39.4 | 0 | 0 | 0 | 110.9 | C532 E544 C546 C554 R564 | C532-N556 HydrophobicContact CB-CB 3.43Å; C532-N556 VanDerWaalsContact CB-CB 3.43Å; E544-N556 PolarHBondContact O-ND2 2.82Å; C546-N556 HydrophobicContact CB-CB 4.5Å; C546-N556 PolarHBondContact N-ND2 3.27Å; C546-N556 PolarHBondContact N-O 2.9Å; C546-N556 PolarHBondContact SG-ND2 2.95Å; C554-N556 PolarHBondContact SG-N 3.26Å; N556-R564 WeakPolarHBondContact OD1-CD 3.19Å; N556-R564 PolarHBondContact OD1-NE 3.09Å |
| 557 | N | 97 | Very high | 97.3 | Very high | 36 Ų | 36 | 78.2 Ų | 78.2 | 19% | 0.193 | 40% | 0.399 | C | S | . | . | S | Bend | trans | -146.6 | 177.5 | -175.3 | 54.7 | 8.3 | 0 | 0 | 0 | 109.5 | C554 Y555 E559 H560 | C554-N557 PolarHBondContact O-ND2 2.91Å; Y555-N557 VanDerWaalsContact C-N 3.26Å; Y555-N557 PolarHBondContact O-N 3.33Å; N557-E559 VanDerWaalsContact C-N 3.32Å; N557-E559 WeakPolarHBondContact CB-OE2 3.39Å; N557-E559 PolarHBondContact ND2-OE2 3.14Å; N557-H560 PolarHBondContact OD1-ND1 3.23Å |
| 558 | L | 96.3 | Very high | 97.3 | Very high | 126 Ų | 126 | 74 Ų | 74 | 66% | 0.66 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -75.2 | -25.2 | -174.1 | -70.9 | 169.6 | 0 | 0 | 0 | 112.4 | F545 H560 | F545-L558 HydrophobicContact CE1-CD2 3.98Å; F545-L558 HydrophobicContact CE1-CG 4.34Å; F545-L558 HydrophobicContact CE2-CD2 3.99Å; F545-L558 HydrophobicContact CZ-CD2 3.48Å; F545-L558 VanDerWaalsContact CZ-CD2 3.48Å; F545-L558 HydrophobicContact CZ-CG 4.24Å; L558-H560 VanDerWaalsContact C-N 3.31Å; L558-H560 PolarHBondContact O-N 3.09Å |
| 559 | E | 97.4 | Very high | 97.4 | Very high | 142 Ų | 142 | 74.7 Ų | 74.7 | 66% | 0.664 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -30.7 | -177.8 | -59.4 | 72 | -156.9 | 0 | 0 | 112.1 | N557 | N557-E559 VanDerWaalsContact C-N 3.32Å; N557-E559 WeakPolarHBondContact CB-OE2 3.39Å; N557-E559 PolarHBondContact ND2-OE2 3.14Å |
| 560 | H | 97.2 | Very high | 97.4 | Very high | 50 Ų | 50 | 75 Ų | 75 | 23% | 0.231 | 38% | 0.377 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.1 | 33.1 | -178.7 | -53.5 | 86.8 | 0 | 0 | 0 | 112 | Y555 N557 L558 N562 E563 R564 | Y555-H560 HydrophobicContact CD1-CB 4.32Å; Y555-H560 AromaticContact CD1-CD2 3.41Å; Y555-H560 VanDerWaalsContact CD1-CD2 3.41Å; Y555-H560 WeakPolarHBondContact CD1-CD2 3.3Å; Y555-H560 AromaticContact CD1-CE1 3.67Å; Y555-H560 AromaticContact CD1-CG 3.57Å; Y555-H560 AromaticContact CD1-ND1 3.72Å; Y555-H560 AromaticContact CD1-NE2 3.47Å; Y555-H560 WeakPolarHBondContact CD1-NE2 3.49Å; Y555-H560 HydrophobicContact CD2-CB 4.3Å; Y555-H560 AromaticContact CD2-CD2 3.94Å; Y555-H560 AromaticContact CE1-CD2 3.44Å; Y555-H560 VanDerWaalsContact CE1-CD2 3.44Å; Y555-H560 WeakPolarHBondContact CE1-CD2 3.41Å; Y555-H560 AromaticContact CE1-CE1 3.83Å; Y555-H560 AromaticContact CE1-NE2 3.24Å; Y555-H560 WeakPolarHBondContact CE1-NE2 3.32Å; Y555-H560 AromaticContact CE2-CD2 3.96Å; Y555-H560 HydrophobicContact CG-CB 3.88Å; Y555-H560 AromaticContact CG-CD2 3.67Å; Y555-H560 AromaticContact CG-CG 3.63Å; Y555-H560 AromaticContact CZ-CD2 3.71Å; Y555-H560 AromaticContact CZ-NE2 3.83Å; N557-H560 PolarHBondContact OD1-ND1 3.23Å; L558-H560 VanDerWaalsContact C-N 3.31Å; L558-H560 PolarHBondContact O-N 3.09Å; H560-N562 PolarHBondContact O-N 3.18Å; H560-N562 VanDerWaalsContact O-N 3.17Å; H560-E563 HydrophobicContact CB-CB 4.43Å; H560-E563 PolarHBondContact O-N 3.29Å; H560-R564 WeakPolarHBondContact O-CB 3.4Å; H560-R564 PolarHBondContact O-N 2.93Å |
| 561 | E | 96.9 | Very high | 97.4 | Very high | 54 Ų | 54 | 71 Ų | 71 | 25% | 0.252 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -60.9 | -26.8 | -175 | -178.1 | 62.2 | -175.2 | 0 | 0 | 112.8 | R564 Q565 | E561-R564 IonicContact OE1-NH1 3.27Å; E561-R564 PolarHBondContact OE1-NH1 2.88Å; E561-R564 WeakPolarHBondContact OE2-CD 3.11Å; E561-R564 IonicContact OE2-CZ 2.69Å; E561-R564 IonicContact OE2-NE 3.72Å; E561-R564 IonicContact OE2-NH1 2.74Å; E561-R564 PolarHBondContact OE2-NH1 3.13Å; E561-Q565 HydrophobicContact CG-CG 4.18Å; E561-Q565 VanDerWaalsContact O-CB 3.3Å; E561-Q565 WeakPolarHBondContact O-CB 3.39Å; E561-Q565 WeakPolarHBondContact O-CG 3.08Å; E561-Q565 PolarHBondContact O-N 3.24Å; E561-Q565 WeakPolarHBondContact OE1-CG 3.42Å; E561-Q565 PolarHBondContact OE1-NE2 3.26Å |
| 562 | N | 97.5 | Very high | 97.3 | Very high | 134 Ų | 134 | 73.3 Ų | 73.3 | 72% | 0.717 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -66.9 | -49.7 | 174.9 | -73 | -72.3 | 0 | 0 | 0 | 112.1 | H560 R564 Q565 K566 | H560-N562 PolarHBondContact O-N 3.18Å; H560-N562 VanDerWaalsContact O-N 3.17Å; N562-R564 VanDerWaalsContact C-N 3.28Å; N562-R564 PolarHBondContact O-N 3.04Å; N562-Q565 PolarHBondContact O-N 3.34Å; N562-K566 WeakPolarHBondContact O-CB 3.48Å; N562-K566 PolarHBondContact O-N 3.46Å |
| 563 | E | 97.9 | Very high | 97.2 | Very high | 86 Ų | 86 | 76.3 Ų | 76.3 | 40% | 0.402 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -62.3 | -40.2 | 175.5 | -67.8 | 61.5 | -140.4 | 0 | 0 | 110.3 | L533 Y555 H560 K566 A567 | L533-E563 HydrophobicContact CD1-CB 3.83Å; Y555-E563 HydrophobicContact CD2-CB 4.12Å; Y555-E563 HydrophobicContact CD2-CG 4.05Å; Y555-E563 HydrophobicContact CE2-CG 4.27Å; H560-E563 HydrophobicContact CB-CB 4.43Å; H560-E563 PolarHBondContact O-N 3.29Å; E563-K566 PolarHBondContact O-N 2.67Å; E563-A567 WeakPolarHBondContact O-CB 3.34Å; E563-A567 PolarHBondContact O-N 3.33Å |
| 564 | R | 98.1 | Very high | 97.2 | Very high | 16 Ų | 16 | 80.4 Ų | 80.4 | 6% | 0.06 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -64.6 | -48.5 | 177.2 | -173.6 | 174.9 | 168.3 | -86.1 | -3.6 | 112.4 | L533 F540 G543 F545 N556 H560 E561 N562 K566 A567 I568 | L533-R564 HydrophobicContact CD2-CB 3.93Å; L533-R564 HydrophobicContact CD2-CG 4.1Å; F540-R564 HydrophobicContact CE2-CG 4.39Å; G543-R564 PolarHBondContact O-NH2 2.84Å; F545-R564 VanDerWaalsContact CE1-NE 3.3Å; N556-R564 WeakPolarHBondContact OD1-CD 3.19Å; N556-R564 PolarHBondContact OD1-NE 3.09Å; H560-R564 WeakPolarHBondContact O-CB 3.4Å; H560-R564 PolarHBondContact O-N 2.93Å; E561-R564 IonicContact OE1-NH1 3.27Å; E561-R564 PolarHBondContact OE1-NH1 2.88Å; E561-R564 WeakPolarHBondContact OE2-CD 3.11Å; E561-R564 IonicContact OE2-CZ 2.69Å; E561-R564 IonicContact OE2-NE 3.72Å; E561-R564 IonicContact OE2-NH1 2.74Å; E561-R564 PolarHBondContact OE2-NH1 3.13Å; N562-R564 VanDerWaalsContact C-N 3.28Å; N562-R564 PolarHBondContact O-N 3.04Å; R564-K566 VanDerWaalsContact C-N 3.35Å; R564-K566 PolarHBondContact O-N 3Å; R564-A567 WeakPolarHBondContact O-CB 3.43Å; R564-A567 PolarHBondContact O-N 3.04Å; R564-A567 VanDerWaalsContact O-N 3.17Å; R564-I568 HydrophobicContact CG-CD1 3.98Å; R564-I568 VanDerWaalsContact O-CG1 3.3Å; R564-I568 WeakPolarHBondContact O-CG1 3.45Å; R564-I568 PolarHBondContact O-N 3.01Å |
| 565 | Q | 97.8 | Very high | 96.9 | Very high | 97 Ų | 97 | 81.9 Ų | 81.9 | 45% | 0.453 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -63.3 | -40.1 | 175.7 | -74.3 | -67.5 | -13 | 0 | 0 | 111.9 | E561 N562 A567 I568 K569 | E561-Q565 HydrophobicContact CG-CG 4.18Å; E561-Q565 VanDerWaalsContact O-CB 3.3Å; E561-Q565 WeakPolarHBondContact O-CB 3.39Å; E561-Q565 WeakPolarHBondContact O-CG 3.08Å; E561-Q565 PolarHBondContact O-N 3.24Å; E561-Q565 WeakPolarHBondContact OE1-CG 3.42Å; E561-Q565 PolarHBondContact OE1-NE2 3.26Å; N562-Q565 PolarHBondContact O-N 3.34Å; Q565-A567 VanDerWaalsContact C-N 3.31Å; Q565-A567 PolarHBondContact O-N 3.12Å; Q565-I568 PolarHBondContact O-N 3.15Å; Q565-K569 WeakPolarHBondContact O-CB 3.19Å; Q565-K569 PolarHBondContact O-N 2.88Å |
| 566 | K | 97.9 | Very high | 96.6 | Very high | 168 Ų | 168 | 82.5 Ų | 82.5 | 73% | 0.73 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -59.8 | -40.7 | 172.8 | -172.9 | 175.8 | -178.2 | 176.8 | 0 | 111.8 | N562 E563 R564 A570 | N562-K566 WeakPolarHBondContact O-CB 3.48Å; N562-K566 PolarHBondContact O-N 3.46Å; E563-K566 PolarHBondContact O-N 2.67Å; R564-K566 VanDerWaalsContact C-N 3.35Å; R564-K566 PolarHBondContact O-N 3Å; K566-A570 WeakPolarHBondContact O-CB 3.27Å; K566-A570 PolarHBondContact O-N 3.07Å |
| 567 | A | 97.7 | Very high | 96.2 | Very high | 16 Ų | 16 | 87.1 Ų | 87.1 | 13% | 0.132 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -70.7 | -40.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | L533 F540 E563 R564 Q565 A570 C571 | L533-A567 HydrophobicContact CB-CB 3.82Å; L533-A567 HydrophobicContact CD1-CB 4.32Å; L533-A567 HydrophobicContact CD2-CB 4.25Å; L533-A567 HydrophobicContact CG-CB 4.36Å; F540-A567 HydrophobicContact CE2-CB 4.26Å; F540-A567 HydrophobicContact CZ-CB 3.94Å; E563-A567 WeakPolarHBondContact O-CB 3.34Å; E563-A567 PolarHBondContact O-N 3.33Å; R564-A567 WeakPolarHBondContact O-CB 3.43Å; R564-A567 PolarHBondContact O-N 3.04Å; R564-A567 VanDerWaalsContact O-N 3.17Å; Q565-A567 VanDerWaalsContact C-N 3.31Å; Q565-A567 PolarHBondContact O-N 3.12Å; A567-A570 PolarHBondContact O-N 3.37Å; A567-C571 PolarHBondContact O-N 3.39Å; A567-C571 PolarHBondContact O-SG 3.24Å |
| 568 | I | 97.2 | Very high | 96 | Very high | 30 Ų | 30 | 86 Ų | 86 | 15% | 0.154 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -61.1 | -49.9 | 174.8 | -71.5 | 165.9 | 0 | 0 | 0 | 109.9 | F540 R564 Q565 A570 C571 L572 F579 | F540-I568 HydrophobicContact CE2-CG1 3.83Å; F540-I568 HydrophobicContact CZ-CG1 3.92Å; R564-I568 HydrophobicContact CG-CD1 3.98Å; R564-I568 VanDerWaalsContact O-CG1 3.3Å; R564-I568 WeakPolarHBondContact O-CG1 3.45Å; R564-I568 PolarHBondContact O-N 3.01Å; Q565-I568 PolarHBondContact O-N 3.15Å; I568-A570 PolarHBondContact O-N 2.98Å; I568-C571 PolarHBondContact O-N 2.74Å; I568-C571 VanDerWaalsContact O-N 3.09Å; I568-L572 HydrophobicContact CG2-CD1 4.1Å; I568-L572 PolarHBondContact O-N 3.37Å; I568-F579 HydrophobicContact CB-CE2 4.36Å; I568-F579 HydrophobicContact CB-CZ 4.37Å; I568-F579 HydrophobicContact CG1-CZ 4.12Å; I568-F579 HydrophobicContact CG2-CD2 4.48Å; I568-F579 HydrophobicContact CG2-CE2 3.88Å; I568-F579 HydrophobicContact CG2-CZ 4.32Å |
| 569 | K | 96.9 | Very high | 95.8 | Very high | 158 Ų | 158 | 82.6 Ų | 82.6 | 69% | 0.687 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -56.5 | -48.9 | 175.4 | -175.5 | 175.8 | 179.2 | 177.9 | 0 | 111.3 | Q565 C571 L572 D573 | Q565-K569 WeakPolarHBondContact O-CB 3.19Å; Q565-K569 PolarHBondContact O-N 2.88Å; K569-C571 PolarHBondContact O-N 3.41Å; K569-L572 PolarHBondContact O-N 3.45Å; K569-D573 VanDerWaalsContact O-CB 3.25Å; K569-D573 WeakPolarHBondContact O-CB 3.19Å; K569-D573 PolarHBondContact O-N 2.97Å |
| 570 | A | 97.3 | Very high | 95.3 | Very high | 37 Ų | 37 | 81.3 Ų | 81.3 | 31% | 0.306 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -67.9 | -15.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | K566 A567 I568 R574 | K566-A570 WeakPolarHBondContact O-CB 3.27Å; K566-A570 PolarHBondContact O-N 3.07Å; A567-A570 PolarHBondContact O-N 3.37Å; I568-A570 PolarHBondContact O-N 2.98Å; A570-R574 WeakPolarHBondContact O-CD 3.48Å; A570-R574 WeakPolarHBondContact O-CG 3.49Å |
| 571 | C | 96.3 | Very high | 94.7 | Very high | 16 Ų | 16 | 84 Ų | 84 | 11% | 0.108 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -86.1 | -41.3 | 170.1 | -70.1 | 0 | 0 | 0 | 0 | 112 | A567 I568 K569 R574 N575 A578 F579 | A567-C571 PolarHBondContact O-N 3.39Å; A567-C571 PolarHBondContact O-SG 3.24Å; I568-C571 PolarHBondContact O-N 2.74Å; I568-C571 VanDerWaalsContact O-N 3.09Å; K569-C571 PolarHBondContact O-N 3.41Å; C571-R574 PolarHBondContact O-N 2.95Å; C571-N575 PolarHBondContact O-N 3.26Å; C571-N575 VanDerWaalsContact O-N 3.14Å; C571-A578 HydrophobicContact CB-CB 4.37Å; C571-F579 HydrophobicContact CB-CE2 3.75Å; C571-F579 HydrophobicContact CB-CZ 3.74Å |
| 572 | L | 95.4 | Very high | 94.1 | Very high | 72 Ų | 72 | 87.2 Ų | 87.2 | 38% | 0.377 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -66.1 | -40.1 | 176 | -77.1 | 169.5 | 0 | 0 | 0 | 112.6 | I568 K569 R574 N575 P576 F579 | I568-L572 HydrophobicContact CG2-CD1 4.1Å; I568-L572 PolarHBondContact O-N 3.37Å; K569-L572 PolarHBondContact O-N 3.45Å; L572-R574 VanDerWaalsContact C-N 3.25Å; L572-R574 PolarHBondContact O-N 3.18Å; L572-N575 WeakPolarHBondContact CA-O 3.23Å; L572-N575 CarbonylContact O-C 3.48Å; L572-N575 PolarHBondContact O-N 3.48Å; L572-N575 VanDerWaalsContact O-N 3.08Å; L572-P576 WeakPolarHBondContact O-CA 3.2Å; L572-P576 VanDerWaalsContact O-N 3.11Å; L572-F579 HydrophobicContact CD1-CD2 4.43Å; L572-F579 HydrophobicContact CD2-CD2 3.88Å; L572-F579 HydrophobicContact CD2-CE2 4.44Å; L572-F579 HydrophobicContact CG-CD2 3.87Å; L572-F579 HydrophobicContact CG-CE2 3.97Å |
| 573 | D | 96.4 | Very high | 93.5 | Very high | 137 Ų | 137 | 83 Ų | 83 | 73% | 0.733 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | -38.3 | 176.1 | -176.1 | 75.5 | 0 | 0 | 0 | 112.5 | K569 | K569-D573 VanDerWaalsContact O-CB 3.25Å; K569-D573 WeakPolarHBondContact O-CB 3.19Å; K569-D573 PolarHBondContact O-N 2.97Å |
| 574 | R | 95.6 | Very high | 92.3 | Very high | 206 Ų | 206 | 80.1 Ų | 80.1 | 78% | 0.777 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -21 | 176.8 | -63.4 | 173.3 | -175.3 | 154.8 | 1.8 | 114 | A570 C571 L572 | A570-R574 WeakPolarHBondContact O-CD 3.48Å; A570-R574 WeakPolarHBondContact O-CG 3.49Å; C571-R574 PolarHBondContact O-N 2.95Å; L572-R574 VanDerWaalsContact C-N 3.25Å; L572-R574 PolarHBondContact O-N 3.18Å |
| 575 | N | 91.8 | Very high | 90.7 | Very high | 54 Ų | 54 | 89 Ų | 89 | 29% | 0.289 | 44% | 0.442 | S | S | . | . | trans | -163.3 | 105.6 | 179 | 174.5 | 21.9 | 0 | 0 | 0 | 109.6 | C571 L572 E577 A578 | C571-N575 PolarHBondContact O-N 3.26Å; C571-N575 VanDerWaalsContact O-N 3.14Å; L572-N575 WeakPolarHBondContact CA-O 3.23Å; L572-N575 CarbonylContact O-C 3.48Å; L572-N575 PolarHBondContact O-N 3.48Å; L572-N575 VanDerWaalsContact O-N 3.08Å; N575-E577 PolarHBondContact O-N 3.33Å; N575-E577 PolarHBondContact OD1-N 3.16Å; N575-E577 VanDerWaalsContact OD1-N 3.07Å; N575-A578 HydrophobicContact CB-CB 4.27Å; N575-A578 WeakPolarHBondContact ND2-CA 3.37Å; N575-A578 PolarHBondContact ND2-N 3.2Å; N575-A578 WeakPolarHBondContact O-CB 3.3Å; N575-A578 PolarHBondContact O-N 2.98Å | ||
| 576 | P | 92.8 | Very high | 88.7 | Confident | 98 Ų | 98 | 86.2 Ų | 86.2 | 64% | 0.636 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -9.8 | -179 | 27.4 | -35.5 | 0 | 0 | 0 | 113.3 | L572 | L572-P576 WeakPolarHBondContact O-CA 3.2Å; L572-P576 VanDerWaalsContact O-N 3.11Å |
| 577 | E | 89.6 | Confident | 86.6 | Confident | 96 Ų | 96 | 86.4 Ų | 86.4 | 45% | 0.449 | 44% | 0.44 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | 9.1 | 173.9 | -50.8 | -144.2 | 123.5 | 0 | 0 | 113.6 | N575 F579 K580 | N575-E577 PolarHBondContact O-N 3.33Å; N575-E577 PolarHBondContact OD1-N 3.16Å; N575-E577 VanDerWaalsContact OD1-N 3.07Å; E577-F579 PolarHBondContact O-N 2.91Å; E577-F579 VanDerWaalsContact O-N 3.12Å; E577-K580 HydrophobicContact CB-CB 4.37Å; E577-K580 HydrophobicContact CB-CD 4.01Å; E577-K580 HydrophobicContact CB-CG 4.33Å; E577-K580 HydrophobicContact CG-CD 3.94Å; E577-K580 PolarHBondContact O-N 2.96Å; E577-K580 WeakPolarHBondContact OE1-CD 3.12Å; E577-K580 WeakPolarHBondContact OE1-CE 3.44Å; E577-K580 IonicContact OE1-NZ 3.89Å; E577-K580 PolarHBondContact OE1-NZ 3.36Å |
| 578 | A | 91.1 | Very high | 84.1 | Confident | 14 Ų | 14 | 95.6 Ų | 95.6 | 12% | 0.116 | 48% | 0.48 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -35.1 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | L535 C571 N575 | L535-A578 HydrophobicContact CD1-CB 4.25Å; C571-A578 HydrophobicContact CB-CB 4.37Å; N575-A578 HydrophobicContact CB-CB 4.27Å; N575-A578 WeakPolarHBondContact ND2-CA 3.37Å; N575-A578 PolarHBondContact ND2-N 3.2Å; N575-A578 WeakPolarHBondContact O-CB 3.3Å; N575-A578 PolarHBondContact O-N 2.98Å |
| 579 | F | 91.9 | Very high | 82.3 | Confident | 54 Ų | 54 | 98.4 Ų | 98.4 | 24% | 0.237 | 52% | 0.516 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.9 | 12.1 | -180 | -54.6 | -78.6 | 0 | 0 | 0 | 112.9 | L535 F540 I568 C571 L572 E577 | L535-F579 HydrophobicContact CD2-CD1 4.35Å; L535-F579 HydrophobicContact CD2-CE1 3.81Å; L535-F579 HydrophobicContact CD2-CZ 4.25Å; F540-F579 HydrophobicContact CD1-CE1 4.08Å; F540-F579 HydrophobicContact CD1-CZ 4.45Å; F540-F579 AromaticContact CE1-CE1 3.82Å; F540-F579 HydrophobicContact CE1-CE1 3.82Å; F540-F579 AromaticContact CE1-CZ 3.74Å; F540-F579 HydrophobicContact CE1-CZ 3.74Å; F540-F579 HydrophobicContact CZ-CE1 4.28Å; F540-F579 AromaticContact CZ-CZ 3.96Å; F540-F579 HydrophobicContact CZ-CZ 3.96Å; F540-F579 VanDerWaalsContact O-CE1 3.27Å; F540-F579 WeakPolarHBondContact O-CE1 3.25Å; I568-F579 HydrophobicContact CB-CE2 4.36Å; I568-F579 HydrophobicContact CB-CZ 4.37Å; I568-F579 HydrophobicContact CG1-CZ 4.12Å; I568-F579 HydrophobicContact CG2-CD2 4.48Å; I568-F579 HydrophobicContact CG2-CE2 3.88Å; I568-F579 HydrophobicContact CG2-CZ 4.32Å; C571-F579 HydrophobicContact CB-CE2 3.75Å; C571-F579 HydrophobicContact CB-CZ 3.74Å; L572-F579 HydrophobicContact CD1-CD2 4.43Å; L572-F579 HydrophobicContact CD2-CD2 3.88Å; L572-F579 HydrophobicContact CD2-CE2 4.44Å; L572-F579 HydrophobicContact CG-CD2 3.87Å; L572-F579 HydrophobicContact CG-CE2 3.97Å; E577-F579 PolarHBondContact O-N 2.91Å; E577-F579 VanDerWaalsContact O-N 3.12Å |
| 580 | K | 87.1 | Confident | 80.2 | Confident | 114 Ų | 114 | 96.8 Ų | 96.8 | 50% | 0.496 | 51% | 0.511 | S | S | . | . | S | Bend | trans | -79.3 | 148 | 168.7 | -66.9 | -173.1 | -168.3 | 178.2 | 0 | 109.5 | E577 K582 | E577-K580 HydrophobicContact CB-CB 4.37Å; E577-K580 HydrophobicContact CB-CD 4.01Å; E577-K580 HydrophobicContact CB-CG 4.33Å; E577-K580 HydrophobicContact CG-CD 3.94Å; E577-K580 PolarHBondContact O-N 2.96Å; E577-K580 WeakPolarHBondContact OE1-CD 3.12Å; E577-K580 WeakPolarHBondContact OE1-CE 3.44Å; E577-K580 IonicContact OE1-NZ 3.89Å; E577-K580 PolarHBondContact OE1-NZ 3.36Å; K580-K582 PolarHBondContact O-N 2.93Å; K580-K582 VanDerWaalsContact O-N 3.13Å |
| 581 | P | 85.7 | Confident | 78.2 | Confident | 107 Ų | 107 | 101 Ų | 101 | 70% | 0.695 | 54% | 0.539 | S | S | * | . | trans | -55.8 | 119.2 | 175.1 | -26.6 | 35.4 | 0 | 0 | 0 | 112.2 | I583 | P581-I583 PolarHBondContact O-N 3.08Å; P581-I583 VanDerWaalsContact O-N 3.12Å | ||
| 582 | K | 85.1 | Confident | 76.8 | Confident | 121 Ų | 121 | 102.1 Ų | 102.1 | 53% | 0.526 | 54% | 0.544 | S | S | . | . | S | Bend | trans | -60.3 | -22.2 | -177.2 | -63.6 | -176.7 | -179 | 178.6 | 0 | 114.6 | K580 H595 S596 E612 | K580-K582 PolarHBondContact O-N 2.93Å; K580-K582 VanDerWaalsContact O-N 3.13Å; K582-H595 WeakPolarHBondContact O-CA 2.82Å; K582-H595 PolarHBondContact O-CD2 3.23Å; K582-S596 PolarHBondContact O-N 3.24Å; K582-S596 PolarHBondContact O-OG 2.67Å; K582-E612 IonicContact NZ-OE1 3.85Å; K582-E612 PolarHBondContact NZ-OE1 3Å |
| 583 | I | 83.4 | Confident | 76.1 | Confident | 46 Ų | 46 | 105.7 Ų | 105.7 | 24% | 0.236 | 55% | 0.552 | C | S | . | * | B | Isolated β-bridge | trans | -101.6 | 119.2 | 178.2 | -49.9 | -64.4 | 0 | 0 | 0 | 107.7 | P581 K585 R593 H595 A616 I618 | P581-I583 PolarHBondContact O-N 3.08Å; P581-I583 VanDerWaalsContact O-N 3.12Å; I583-K585 PolarHBondContact O-N 3.22Å; I583-R593 HydrophobicContact CG2-CB 4.23Å; I583-H595 HydrophobicContact CD1-CB 4.25Å; I583-A616 HydrophobicContact CD1-CB 3.5Å; I583-A616 VanDerWaalsContact CD1-CB 3.5Å; I583-A616 HydrophobicContact CG1-CB 4Å; I583-I618 HydrophobicContact CD1-CD1 3.67Å; I583-I618 HydrophobicContact CD1-CG1 4.45Å |
| 584 | G | 73 | Confident | 75.5 | Confident | 25 Ų | 25 | 104.4 Ų | 104.4 | 26% | 0.258 | 54% | 0.537 | S | S | . | . | trans | -59.2 | 137.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | G586 R594 | G584-G586 PolarHBondContact O-N 3.38Å; G584-G586 VanDerWaalsContact O-N 3.14Å; G584-R594 PolarHBondContact N-O 3.12Å | ||
| 585 | K | 63.7 | Low | 75.1 | Confident | 203 Ų | 203 | 94.7 Ų | 94.7 | 88% | 0.883 | 50% | 0.5 | S | S | * | . | trans | -66.3 | 108.2 | 156.8 | -65.4 | -178 | -178.2 | -179.6 | 0 | 105.9 | I583 K587 | I583-K585 PolarHBondContact O-N 3.22Å; K585-K587 PolarHBondContact O-N 3.37Å | ||
| 586 | G | 57.3 | Low | 74.8 | Confident | 39 Ų | 39 | 95.5 Ų | 95.5 | 40% | 0.402 | 51% | 0.51 | S | S | . | . | trans | -54.9 | 138.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | G584 | G584-G586 PolarHBondContact O-N 3.38Å; G584-G586 VanDerWaalsContact O-N 3.14Å | ||
| 587 | K | 54.3 | Low | 74.6 | Confident | 172 Ų | 172 | 98.3 Ų | 98.3 | 75% | 0.748 | 51% | 0.512 | S | S | * | . | trans | -67.1 | 140 | 173 | -69 | -178.8 | 179.6 | 178.1 | 0 | 108 | K585 G589 E590 | K585-K587 PolarHBondContact O-N 3.37Å; K587-G589 PolarHBondContact O-N 3.23Å; K587-E590 PolarHBondContact O-N 2.86Å | ||
| 588 | E | 45 | Very low | 74.8 | Confident | 209 Ų | 209 | 93.8 Ų | 93.8 | 98% | 0.977 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | 109 | 176.3 | -170 | 162.6 | -153.5 | 0 | 0 | 109.1 | ||
| 589 | G | 59.6 | Low | 75 | Confident | 88 Ų | 88 | 93.2 Ų | 93.2 | 91% | 0.907 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 120.6 | -24.9 | -170.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | K587 | K587-G589 PolarHBondContact O-N 3.23Š|
| 590 | E | 52.8 | Low | 75.2 | Confident | 125 Ų | 125 | 95.4 Ų | 95.4 | 58% | 0.584 | 50% | 0.501 | S | S | * | . | trans | -114.7 | 108.5 | 175.2 | -164.5 | 179.2 | 174.5 | 0 | 0 | 110 | K587 D592 | K587-E590 PolarHBondContact O-N 2.86Å; E590-D592 VanDerWaalsContact C-N 3.34Å; E590-D592 PolarHBondContact O-N 2.98Å | ||
| 591 | S | 54.7 | Low | 75.7 | Confident | 126 Ų | 126 | 90.7 Ų | 90.7 | 88% | 0.881 | 48% | 0.482 | S | S | * | . | trans | -74.7 | -11.1 | -157.5 | 51.4 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 592 | D | 66.4 | Low | 76.3 | Confident | 39 Ų | 39 | 93.2 Ų | 93.2 | 21% | 0.209 | 48% | 0.482 | C | S | . | . | trans | -100.2 | 109.7 | -166.9 | -164.2 | -2.8 | 0 | 0 | 0 | 113.2 | E590 R594 | E590-D592 VanDerWaalsContact C-N 3.34Å; E590-D592 PolarHBondContact O-N 2.98Å; D592-R594 HydrophobicContact CB-CG 4.24Å; D592-R594 VanDerWaalsContact CG-NE 3.31Å; D592-R594 PolarHBondContact O-N 3.13Å; D592-R594 IonicContact OD2-CZ 2.98Å; D592-R594 IonicContact OD2-NE 3.76Å; D592-R594 PolarHBondContact OD2-NE 2.84Å; D592-R594 IonicContact OD2-NH2 2.68Å; D592-R594 PolarHBondContact OD2-NH2 2.83Å | ||
| 593 | R | 81.6 | Confident | 76.8 | Confident | 147 Ų | 147 | 99 Ų | 99 | 56% | 0.555 | 50% | 0.501 | S | S | * | . | trans | -75.8 | 90.5 | 177.6 | -62.6 | 171.5 | 77.4 | 167.9 | 4.4 | 109.1 | I583 I618 | I583-R593 HydrophobicContact CG2-CB 4.23Å; R593-I618 HydrophobicContact CB-CG2 4.1Å; R593-I618 WeakPolarHBondContact O-CB 3.42Å; R593-I618 WeakPolarHBondContact O-CD1 3.34Å; R593-I618 WeakPolarHBondContact O-CG2 3.48Å | ||
| 594 | R | 83.9 | Confident | 77.4 | Confident | 109 Ų | 109 | 97.6 Ų | 97.6 | 41% | 0.411 | 50% | 0.495 | S | S | . | . | trans | -91.2 | 150.7 | -172 | -71 | 173 | 172.1 | 170.7 | 6.2 | 114 | G584 D592 S596 | G584-R594 PolarHBondContact N-O 3.12Å; D592-R594 HydrophobicContact CB-CG 4.24Å; D592-R594 VanDerWaalsContact CG-NE 3.31Å; D592-R594 PolarHBondContact O-N 3.13Å; D592-R594 IonicContact OD2-CZ 2.98Å; D592-R594 IonicContact OD2-NE 3.76Å; D592-R594 PolarHBondContact OD2-NE 2.84Å; D592-R594 IonicContact OD2-NH2 2.68Å; D592-R594 PolarHBondContact OD2-NH2 2.83Å; R594-S596 PolarHBondContact O-N 2.69Å | ||
| 595 | H | 85.5 | Confident | 78.6 | Confident | 3 Ų | 3 | 97.3 Ų | 97.3 | 1% | 0.014 | 49% | 0.492 | C | S | . | . | B | Isolated β-bridge | trans | -78.5 | 110.7 | 171.4 | -174.1 | -110.9 | 0 | 0 | 0 | 109.5 | K582 I583 K597 G598 E612 I618 I623 | K582-H595 WeakPolarHBondContact O-CA 2.82Å; K582-H595 PolarHBondContact O-CD2 3.23Å; I583-H595 HydrophobicContact CD1-CB 4.25Å; H595-K597 PolarHBondContact O-N 3.43Å; H595-G598 PolarHBondContact CE1-O 2.85Å; H595-G598 VanDerWaalsContact CE1-O 3.26Å; H595-G598 PolarHBondContact ND1-N 3.28Å; H595-G598 PolarHBondContact ND1-O 2.98Å; H595-G598 PolarHBondContact O-N 2.95Å; H595-E612 IonicContact CE1-OE2 3.7Å; H595-E612 PolarHBondContact CE1-OE2 3.26Å; H595-E612 VanDerWaalsContact CE1-OE2 3.24Å; H595-E612 IonicContact NE2-OE1 3.88Å; H595-E612 IonicContact NE2-OE2 2.67Å; H595-I618 HydrophobicContact CB-CD1 3.94Å; H595-I623 WeakPolarHBondContact O-CD1 3.47Å |
| 596 | S | 86.9 | Confident | 80.2 | Confident | 71 Ų | 71 | 87.7 Ų | 87.7 | 50% | 0.497 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -25.3 | -165.2 | -49.9 | 0 | 0 | 0 | 0 | 114.8 | K582 R594 I623 | K582-S596 PolarHBondContact O-N 3.24Å; K582-S596 PolarHBondContact O-OG 2.67Å; R594-S596 PolarHBondContact O-N 2.69Å; S596-I623 WeakPolarHBondContact O-CD1 3.5Å |
| 597 | K | 88.8 | Confident | 82 | Confident | 157 Ų | 157 | 86.8 Ų | 86.8 | 68% | 0.683 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.3 | -10.1 | 179.5 | -170.8 | 165.4 | -178.1 | 169.9 | 0 | 114.4 | H595 | H595-K597 PolarHBondContact O-N 3.43Š|
| 598 | G | 92.6 | Very high | 84 | Confident | 1 Ų | 1 | 84.2 Ų | 84.2 | 1% | 0.01 | 43% | 0.425 | C | S | . | . | trans | 63.7 | 175.5 | -164.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | H595 | H595-G598 PolarHBondContact CE1-O 2.85Å; H595-G598 VanDerWaalsContact CE1-O 3.26Å; H595-G598 PolarHBondContact ND1-N 3.28Å; H595-G598 PolarHBondContact ND1-O 2.98Å; H595-G598 PolarHBondContact O-N 2.95Å | ||
| 599 | C | 95.8 | Very high | 86.4 | Confident | 1 Ų | 1 | 78.9 Ų | 78.9 | 1% | 0.007 | 40% | 0.403 | C | S | . | . | trans | -112 | 164.7 | 174.9 | 73.2 | 0 | 0 | 0 | 0 | 111.8 | C611 C624 K625 | C599-C611 VanDerWaalsContact SG-SG 3.6Å; C599-C624 PolarHBondContact N-SG 2.93Å; C599-C624 VanDerWaalsContact N-SG 3.39Å; C599-C624 CarbonylContact O-C 3.24Å; C599-C624 WeakPolarHBondContact O-CA 3.36Å; C599-K625 CarbonylContact O-C 3.48Å; C599-K625 PolarHBondContact O-N 2.68Å | ||
| 600 | N | 96.8 | Very high | 88 | Confident | 100 Ų | 100 | 84.2 Ų | 84.2 | 54% | 0.535 | 40% | 0.397 | S | S | . | . | trans | -123 | 31.1 | -175.4 | -63.9 | -90.3 | 0 | 0 | 0 | 112.3 | ||||
| 601 | C | 97.9 | Very high | 90.1 | Very high | 16 Ų | 16 | 78.2 Ų | 78.2 | 11% | 0.108 | 37% | 0.369 | C | S | . | . | trans | -67.1 | 131 | -171.1 | -67 | 0 | 0 | 0 | 0 | 113.2 | S604 C611 C626 I627 | C601-S604 WeakPolarHBondContact CB-OG 3.48Å; C601-C611 VanDerWaalsContact SG-CB 3.52Å; C601-C611 VanDerWaalsContact SG-SG 3.62Å; C601-C626 HydrophobicContact CB-CB 4.14Å; C601-C626 CarbonylContact O-C 3.52Å; C601-C626 VanDerWaalsContact O-CA 3.27Å; C601-C626 WeakPolarHBondContact O-CA 3.36Å; C601-I627 PolarHBondContact O-N 2.92Å | ||
| 602 | K | 96.9 | Very high | 92 | Very high | 160 Ų | 160 | 75.6 Ų | 75.6 | 70% | 0.696 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -111.3 | -21.3 | 178 | -59.7 | -170.8 | 179.8 | -177.3 | 0 | 115.9 | I627 | K602-I627 HydrophobicContact CD-CD1 4.26Å; K602-I627 HydrophobicContact CG-CD1 4.05Å; K602-I627 HydrophobicContact CG-CG1 4.47Å |
| 603 | R | 96.8 | Very high | 93.3 | Very high | 243 Ų | 243 | 73.8 Ų | 73.8 | 92% | 0.917 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -131.3 | -11.9 | -171.3 | -64.5 | -168 | -66.2 | -177.5 | -0.8 | 115.6 | ||
| 604 | S | 95.9 | Very high | 94 | Very high | 16 Ų | 16 | 69 Ų | 69 | 11% | 0.112 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -84 | -8.6 | -176.3 | 53.7 | 0 | 0 | 0 | 0 | 114.1 | C601 C606 L607 | C601-S604 WeakPolarHBondContact CB-OG 3.48Å; S604-C606 PolarHBondContact O-N 3.28Å; S604-C606 PolarHBondContact OG-N 2.69Å; S604-L607 PolarHBondContact O-N 3.34Å; S604-L607 VanDerWaalsContact O-N 3.07Å |
| 605 | G | 96.5 | Very high | 94.5 | Very high | 19 Ų | 19 | 69.1 Ų | 69.1 | 20% | 0.196 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 58.5 | 11.1 | -164.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | L607 G628 K630 | G605-L607 PolarHBondContact O-N 3.42Å; G605-G628 WeakPolarHBondContact CA-O 3.34Å; G605-K630 WeakPolarHBondContact O-CA 3.43Å; G605-K630 WeakPolarHBondContact O-CB 3.49Å; G605-K630 PolarHBondContact O-N 3.07Å |
| 606 | C | 97.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.6 | 14.3 | -164.6 | -56.4 | 0 | 0 | 0 | 0 | 115.3 | S604 C611 Y614 C626 N631 | S604-C606 PolarHBondContact O-N 3.28Å; S604-C606 PolarHBondContact OG-N 2.69Å; C606-C611 HydrophobicContact CB-CB 4.37Å; C606-Y614 WeakPolarHBondContact O-CB 3.37Å; C606-Y614 WeakPolarHBondContact O-CD2 3.17Å; C606-C626 WeakPolarHBondContact SG-CB 3.49Å; C606-N631 HydrophobicContact CB-CB 3.4Å; C606-N631 VanDerWaalsContact CB-CB 3.4Å; C606-N631 WeakPolarHBondContact O-CB 3.44Å |
| 607 | L | 95.6 | Very high | 95 | Very high | 20 Ų | 20 | 74 Ų | 74 | 11% | 0.105 | 34% | 0.341 | C | S | . | . | trans | -110 | 33.1 | 178.7 | -67.7 | 179 | 0 | 0 | 0 | 112.9 | S604 G605 Y614 K630 N631 E637 R638 L641 | S604-L607 PolarHBondContact O-N 3.34Å; S604-L607 VanDerWaalsContact O-N 3.07Å; G605-L607 PolarHBondContact O-N 3.42Å; L607-Y614 HydrophobicContact CB-CE2 4.32Å; L607-Y614 HydrophobicContact CD2-CD2 3.86Å; L607-Y614 HydrophobicContact CD2-CE2 3.67Å; L607-K630 HydrophobicContact CD1-CB 3.49Å; L607-K630 VanDerWaalsContact CD1-CB 3.49Å; L607-K630 HydrophobicContact CD1-CD 4.42Å; L607-K630 WeakPolarHBondContact CD2-O 3.48Å; L607-K630 HydrophobicContact CG-CB 3.91Å; L607-N631 HydrophobicContact CD2-CB 4.23Å; L607-E637 HydrophobicContact CD1-CB 3.64Å; L607-R638 HydrophobicContact CD2-CB 3.91Å; L607-R638 HydrophobicContact CD2-CG 4.16Å; L607-L641 HydrophobicContact CB-CD1 3.96Å; L607-L641 HydrophobicContact CD1-CD1 4.13Å; L607-L641 HydrophobicContact CD2-CD1 4.5Å; L607-L641 HydrophobicContact CG-CD1 4.43Å | ||
| 608 | K | 95.4 | Very high | 95.2 | Very high | 119 Ų | 119 | 67.4 Ų | 67.4 | 52% | 0.517 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -144.4 | 153.3 | 176.6 | -59.2 | -172.5 | 179.9 | -172.2 | 0 | 108.9 | Y610 C611 Y614 | K608-Y610 HydrophobicContact CB-CD2 3.75Å; K608-Y610 HydrophobicContact CB-CE2 4.32Å; K608-Y610 HydrophobicContact CD-CD2 4.16Å; K608-Y610 HydrophobicContact CD-CE2 4.12Å; K608-Y610 PolarHBondContact O-N 2.96Å; K608-C611 WeakPolarHBondContact O-CB 3.23Å; K608-C611 PolarHBondContact O-N 3.45Å; K608-Y614 VanDerWaalsContact C-CD1 3.45Å |
| 609 | N | 95.2 | Very high | 95.2 | Very high | 97 Ų | 97 | 69 Ų | 69 | 52% | 0.519 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -9.8 | -178.1 | -61.4 | -29.8 | 0 | 0 | 0 | 114.4 | C611 | N609-C611 PolarHBondContact O-N 2.95Š|
| 610 | Y | 95.1 | Very high | 95.2 | Very high | 199 Ų | 199 | 70 Ų | 70 | 78% | 0.78 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -1.7 | 164 | -48.8 | -63.8 | 0 | 0 | 0 | 114.5 | K608 | K608-Y610 HydrophobicContact CB-CD2 3.75Å; K608-Y610 HydrophobicContact CB-CE2 4.32Å; K608-Y610 HydrophobicContact CD-CD2 4.16Å; K608-Y610 HydrophobicContact CD-CE2 4.12Å; K608-Y610 PolarHBondContact O-N 2.96Å |
| 611 | C | 96.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -116 | 114.7 | 176.5 | 180 | 0 | 0 | 0 | 0 | 109.5 | C599 C601 C606 K608 N609 C613 Y614 E615 | C599-C611 VanDerWaalsContact SG-SG 3.6Å; C601-C611 VanDerWaalsContact SG-CB 3.52Å; C601-C611 VanDerWaalsContact SG-SG 3.62Å; C606-C611 HydrophobicContact CB-CB 4.37Å; K608-C611 WeakPolarHBondContact O-CB 3.23Å; K608-C611 PolarHBondContact O-N 3.45Å; N609-C611 PolarHBondContact O-N 2.95Å; C611-C613 PolarHBondContact O-N 2.94Å; C611-C613 VanDerWaalsContact O-N 3.12Å; C611-Y614 PolarHBondContact O-N 3.46Å; C611-E615 PolarHBondContact O-N 3.31Å |
| 612 | E | 93.4 | Very high | 94.8 | Very high | 71 Ų | 71 | 71 Ų | 71 | 33% | 0.332 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -51.6 | -39 | -178.4 | -62.7 | 175.1 | 113.5 | 0 | 0 | 112.4 | K582 H595 A616 | K582-E612 IonicContact NZ-OE1 3.85Å; K582-E612 PolarHBondContact NZ-OE1 3Å; H595-E612 IonicContact CE1-OE2 3.7Å; H595-E612 PolarHBondContact CE1-OE2 3.26Å; H595-E612 VanDerWaalsContact CE1-OE2 3.24Å; H595-E612 IonicContact NE2-OE1 3.88Å; H595-E612 IonicContact NE2-OE2 2.67Å; E612-A616 VanDerWaalsContact O-CB 3.27Å; E612-A616 WeakPolarHBondContact O-CB 3.31Å; E612-A616 PolarHBondContact O-N 3.02Å |
| 613 | C | 95 | Very high | 94.7 | Very high | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.2 | -45.6 | 175.7 | -51.6 | 0 | 0 | 0 | 0 | 112.8 | C611 A616 K617 I618 | C611-C613 PolarHBondContact O-N 2.94Å; C611-C613 VanDerWaalsContact O-N 3.12Å; C613-A616 CarbonylContact O-C 3.46Å; C613-A616 PolarHBondContact O-N 3.41Å; C613-K617 PolarHBondContact O-N 3.39Å; C613-K617 VanDerWaalsContact O-N 3.13Å; C613-I618 CarbonylContact C-O 3.36Å; C613-I618 HydrophobicContact CB-CD1 4.47Å; C613-I618 HydrophobicContact CB-CG1 4.11Å; C613-I618 WeakPolarHBondContact O-CG1 3.46Å; C613-I618 PolarHBondContact O-N 2.79Å; C613-I618 VanDerWaalsContact O-O 3.11Å |
| 614 | Y | 95.4 | Very high | 94.6 | Very high | 46 Ų | 46 | 56.5 Ų | 56.5 | 18% | 0.18 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -74.9 | -37.2 | -177.4 | -176.7 | -92.2 | 0 | 0 | 0 | 112.2 | C606 L607 K608 C611 A616 K617 | C606-Y614 WeakPolarHBondContact O-CB 3.37Å; C606-Y614 WeakPolarHBondContact O-CD2 3.17Å; L607-Y614 HydrophobicContact CB-CE2 4.32Å; L607-Y614 HydrophobicContact CD2-CD2 3.86Å; L607-Y614 HydrophobicContact CD2-CE2 3.67Å; K608-Y614 VanDerWaalsContact C-CD1 3.45Å; C611-Y614 PolarHBondContact O-N 3.46Å; Y614-A616 VanDerWaalsContact C-N 3.34Å; Y614-K617 PolarHBondContact O-N 2.84Å; Y614-K617 PolarHBondContact O-NZ 3.4Å |
| 615 | E | 93.8 | Very high | 94.7 | Very high | 112 Ų | 112 | 63.6 Ų | 63.6 | 52% | 0.523 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -56.9 | -50.3 | 170.4 | -179.4 | 167.5 | -135.2 | 0 | 0 | 110.2 | C611 K617 | C611-E615 PolarHBondContact O-N 3.31Å; E615-K617 PolarHBondContact O-N 3.12Å; E615-K617 VanDerWaalsContact O-N 3.11Å; E615-K617 PolarHBondContact O-NZ 3.38Å |
| 616 | A | 91.9 | Very high | 94.7 | Very high | 43 Ų | 43 | 64 Ų | 64 | 36% | 0.355 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | 4.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | I583 E612 C613 Y614 I618 | I583-A616 HydrophobicContact CD1-CB 3.5Å; I583-A616 VanDerWaalsContact CD1-CB 3.5Å; I583-A616 HydrophobicContact CG1-CB 4Å; E612-A616 VanDerWaalsContact O-CB 3.27Å; E612-A616 WeakPolarHBondContact O-CB 3.31Å; E612-A616 PolarHBondContact O-N 3.02Å; C613-A616 CarbonylContact O-C 3.46Å; C613-A616 PolarHBondContact O-N 3.41Å; Y614-A616 VanDerWaalsContact C-N 3.34Å; A616-I618 HydrophobicContact CB-CG1 4.21Å; A616-I618 PolarHBondContact O-N 2.99Å |
| 617 | K | 92.4 | Very high | 94.7 | Very high | 133 Ų | 133 | 69.1 Ų | 69.1 | 58% | 0.578 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.9 | 12.4 | 177.7 | -57.7 | -70.4 | 156.6 | -68.6 | 0 | 116.3 | C613 Y614 E615 | C613-K617 PolarHBondContact O-N 3.39Å; C613-K617 VanDerWaalsContact O-N 3.13Å; Y614-K617 PolarHBondContact O-N 2.84Å; Y614-K617 PolarHBondContact O-NZ 3.4Å; E615-K617 PolarHBondContact O-N 3.12Å; E615-K617 VanDerWaalsContact O-N 3.11Å; E615-K617 PolarHBondContact O-NZ 3.38Å |
| 618 | I | 92.9 | Very high | 94.7 | Very high | 19 Ų | 19 | 70.9 Ų | 70.9 | 10% | 0.097 | 37% | 0.368 | C | S | . | . | P | Polyproline II helix | trans | -97.1 | 172 | 178.6 | 61.1 | 162.4 | 0 | 0 | 0 | 111.2 | I583 R593 H595 C613 A616 N631 R638 | I583-I618 HydrophobicContact CD1-CD1 3.67Å; I583-I618 HydrophobicContact CD1-CG1 4.45Å; R593-I618 HydrophobicContact CB-CG2 4.1Å; R593-I618 WeakPolarHBondContact O-CB 3.42Å; R593-I618 WeakPolarHBondContact O-CD1 3.34Å; R593-I618 WeakPolarHBondContact O-CG2 3.48Å; H595-I618 HydrophobicContact CB-CD1 3.94Å; C613-I618 CarbonylContact C-O 3.36Å; C613-I618 HydrophobicContact CB-CD1 4.47Å; C613-I618 HydrophobicContact CB-CG1 4.11Å; C613-I618 WeakPolarHBondContact O-CG1 3.46Å; C613-I618 PolarHBondContact O-N 2.79Å; C613-I618 VanDerWaalsContact O-O 3.11Å; A616-I618 HydrophobicContact CB-CG1 4.21Å; A616-I618 PolarHBondContact O-N 2.99Å; I618-N631 PolarHBondContact O-ND2 3.39Å; I618-R638 PolarHBondContact O-NH1 3Å |
| 619 | M | 93.1 | Very high | 94.8 | Very high | 36 Ų | 36 | 67 Ų | 67 | 18% | 0.177 | 36% | 0.355 | C | S | . | . | P | Polyproline II helix | trans | -87.1 | 162.8 | 176.9 | -69.9 | 174.4 | -78.6 | 0 | 0 | 111.6 | E633 | M619-E633 VanDerWaalsContact CE-OE2 3.23Å; M619-E633 WeakPolarHBondContact CE-OE2 3.45Å; M619-E633 VanDerWaalsContact SD-CA 3.58Å; M619-E633 HydrophobicContact SD-CB 3.66Å; M619-E633 HydrophobicContact SD-CG 4.4Å; M619-E633 PolarHBondContact SD-N 3.25Å; M619-E633 VanDerWaalsContact SD-N 3.43Å; M619-E633 VanDerWaalsContact SD-OE2 3.4Å |
| 620 | C | 95.3 | Very high | 94.9 | Very high | 20 Ų | 20 | 66.4 Ų | 66.4 | 14% | 0.135 | 35% | 0.348 | C | S | . | . | P | Polyproline II helix | trans | -81.9 | 117.2 | 168.7 | -71.9 | 0 | 0 | 0 | 0 | 109.4 | C624 N631 | C620-C624 HydrophobicContact CB-CB 4.06Å; C620-N631 HydrophobicContact CB-CB 4.47Å; C620-N631 PolarHBondContact N-ND2 3.05Å; C620-N631 PolarHBondContact N-O 3.4Å; C620-N631 PolarHBondContact SG-ND2 3.42Å; C620-N631 VanDerWaalsContact SG-ND2 3.44Å |
| 621 | S | 93.4 | Very high | 94.9 | Very high | 16 Ų | 16 | 57 Ų | 57 | 11% | 0.112 | 31% | 0.311 | C | S | . | . | P | Polyproline II helix | trans | -84.8 | 173.6 | 172.9 | 54.3 | 0 | 0 | 0 | 0 | 112.3 | I623 C624 | S621-I623 PolarHBondContact O-N 3.49Å; S621-I623 VanDerWaalsContact OG-CG1 3.25Å; S621-I623 WeakPolarHBondContact OG-CG1 3.35Å; S621-C624 VanDerWaalsContact O-CB 3.28Å; S621-C624 WeakPolarHBondContact O-CB 3.31Å; S621-C624 PolarHBondContact O-N 3.45Å; S621-C624 PolarHBondContact O-SG 2.9Å |
| 622 | S | 92.9 | Very high | 94.8 | Very high | 122 Ų | 122 | 60.9 Ų | 60.9 | 85% | 0.853 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -20.7 | -178.8 | 50.3 | 0 | 0 | 0 | 0 | 115.7 | C624 | S622-C624 VanDerWaalsContact C-N 3.31Š|
| 623 | I | 93.8 | Very high | 94.5 | Very high | 82 Ų | 82 | 62.2 Ų | 62.2 | 42% | 0.421 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -8.7 | 174.3 | 52.9 | 172 | 0 | 0 | 0 | 113.6 | H595 S596 S621 K625 | H595-I623 WeakPolarHBondContact O-CD1 3.47Å; S596-I623 WeakPolarHBondContact O-CD1 3.5Å; S621-I623 PolarHBondContact O-N 3.49Å; S621-I623 VanDerWaalsContact OG-CG1 3.25Å; S621-I623 WeakPolarHBondContact OG-CG1 3.35Å; I623-K625 PolarHBondContact O-N 3.42Å |
| 624 | C | 96.2 | Very high | 94.3 | Very high | 16 Ų | 16 | 68.5 Ų | 68.5 | 11% | 0.108 | 36% | 0.364 | C | S | . | . | trans | -76.4 | 117.1 | 173.7 | -61.1 | 0 | 0 | 0 | 0 | 111.5 | C599 C620 S621 S622 C626 | C599-C624 PolarHBondContact N-SG 2.93Å; C599-C624 VanDerWaalsContact N-SG 3.39Å; C599-C624 CarbonylContact O-C 3.24Å; C599-C624 WeakPolarHBondContact O-CA 3.36Å; C620-C624 HydrophobicContact CB-CB 4.06Å; S621-C624 VanDerWaalsContact O-CB 3.28Å; S621-C624 WeakPolarHBondContact O-CB 3.31Å; S621-C624 PolarHBondContact O-N 3.45Å; S621-C624 PolarHBondContact O-SG 2.9Å; S622-C624 VanDerWaalsContact C-N 3.31Å; C624-C626 VanDerWaalsContact CB-SG 3.53Å; C624-C626 PolarHBondContact O-N 2.96Å | ||
| 625 | K | 96.8 | Very high | 94.1 | Very high | 166 Ų | 166 | 66.3 Ų | 66.3 | 72% | 0.722 | 36% | 0.355 | S | S | * | . | trans | -85.4 | 45 | 174.1 | -55.7 | -176.2 | -178.3 | -175.5 | 0 | 111.4 | C599 I623 | C599-K625 CarbonylContact O-C 3.48Å; C599-K625 PolarHBondContact O-N 2.68Å; I623-K625 PolarHBondContact O-N 3.42Å | ||
| 626 | C | 97.5 | Very high | 94 | Very high | 26 Ų | 26 | 65 Ų | 65 | 18% | 0.176 | 36% | 0.356 | C | S | . | . | trans | -91.5 | 136 | -175.9 | 50.2 | 0 | 0 | 0 | 0 | 112.6 | C601 C606 C624 C629 | C601-C626 HydrophobicContact CB-CB 4.14Å; C601-C626 CarbonylContact O-C 3.52Å; C601-C626 VanDerWaalsContact O-CA 3.27Å; C601-C626 WeakPolarHBondContact O-CA 3.36Å; C606-C626 WeakPolarHBondContact SG-CB 3.49Å; C624-C626 VanDerWaalsContact CB-SG 3.53Å; C624-C626 PolarHBondContact O-N 2.96Å; C626-C629 HydrophobicContact CB-CB 4.44Å; C626-C629 VanDerWaalsContact SG-CB 3.57Å; C626-C629 VanDerWaalsContact SG-SG 3.67Å | ||
| 627 | I | 97.1 | Very high | 94 | Very high | 109 Ų | 109 | 66.1 Ų | 66.1 | 56% | 0.559 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96 | 132 | 179.5 | -53.3 | 179 | 0 | 0 | 0 | 109 | C601 K602 | C601-I627 PolarHBondContact O-N 2.92Å; K602-I627 HydrophobicContact CD-CD1 4.26Å; K602-I627 HydrophobicContact CG-CD1 4.05Å; K602-I627 HydrophobicContact CG-CG1 4.47Å |
| 628 | G | 95.9 | Very high | 93.9 | Very high | 57 Ų | 57 | 61.9 Ų | 61.9 | 59% | 0.588 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.5 | 38.6 | 180 | 0 | 0 | 0 | 0 | 0 | 113.3 | G605 K630 | G605-G628 WeakPolarHBondContact CA-O 3.34Å; G628-K630 PolarHBondContact O-N 2.9Å |
| 629 | C | 97.5 | Very high | 93.8 | Very high | 36 Ų | 36 | 65.2 Ų | 65.2 | 24% | 0.243 | 35% | 0.349 | C | S | . | . | trans | -64.7 | 131.2 | -177.9 | -168.5 | 0 | 0 | 0 | 0 | 112.1 | C626 N631 F632 | C626-C629 HydrophobicContact CB-CB 4.44Å; C626-C629 VanDerWaalsContact SG-CB 3.57Å; C626-C629 VanDerWaalsContact SG-SG 3.67Å; C629-N631 PolarHBondContact SG-N 3.44Å; C629-N631 VanDerWaalsContact SG-N 3.42Å; C629-F632 WeakPolarHBondContact O-CE1 3.34Å | ||
| 630 | K | 96.6 | Very high | 93.7 | Very high | 86 Ų | 86 | 67.3 Ų | 67.3 | 37% | 0.374 | 36% | 0.364 | S | S | . | . | trans | -119.6 | 15.3 | 171.8 | -56.9 | -175.5 | 170.9 | -150.4 | 0 | 111.8 | G605 L607 G628 S635 E637 | G605-K630 WeakPolarHBondContact O-CA 3.43Å; G605-K630 WeakPolarHBondContact O-CB 3.49Å; G605-K630 PolarHBondContact O-N 3.07Å; L607-K630 HydrophobicContact CD1-CB 3.49Å; L607-K630 VanDerWaalsContact CD1-CB 3.49Å; L607-K630 HydrophobicContact CD1-CD 4.42Å; L607-K630 WeakPolarHBondContact CD2-O 3.48Å; L607-K630 HydrophobicContact CG-CB 3.91Å; G628-K630 PolarHBondContact O-N 2.9Å; K630-S635 WeakPolarHBondContact O-CB 3.44Å; K630-S635 PolarHBondContact O-OG 2.93Å; K630-E637 HydrophobicContact CD-CG 4.23Å; K630-E637 WeakPolarHBondContact CD-OE1 3.49Å; K630-E637 VanDerWaalsContact CE-OE1 3.31Å; K630-E637 WeakPolarHBondContact CE-OE1 3.21Å; K630-E637 IonicContact NZ-OE1 2.65Å; K630-E637 PolarHBondContact NZ-OE1 3.04Å | ||
| 631 | N | 95.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 69.8 Ų | 69.8 | 0% | 0 | 38% | 0.375 | C | S | . | . | trans | -106.3 | 59 | -176.5 | -169.1 | 49.1 | 0 | 0 | 0 | 111.7 | C606 L607 I618 C620 C629 R638 | C606-N631 HydrophobicContact CB-CB 3.4Å; C606-N631 VanDerWaalsContact CB-CB 3.4Å; C606-N631 WeakPolarHBondContact O-CB 3.44Å; L607-N631 HydrophobicContact CD2-CB 4.23Å; I618-N631 PolarHBondContact O-ND2 3.39Å; C620-N631 HydrophobicContact CB-CB 4.47Å; C620-N631 PolarHBondContact N-ND2 3.05Å; C620-N631 PolarHBondContact N-O 3.4Å; C620-N631 PolarHBondContact SG-ND2 3.42Å; C620-N631 VanDerWaalsContact SG-ND2 3.44Å; C629-N631 PolarHBondContact SG-N 3.44Å; C629-N631 VanDerWaalsContact SG-N 3.42Å; N631-R638 PolarHBondContact OD1-NH1 3.35Å | ||
| 632 | F | 93.4 | Very high | 93.1 | Very high | 82 Ų | 82 | 74.1 Ų | 74.1 | 36% | 0.36 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -130.3 | 163.3 | 177.5 | 59.7 | -90.8 | 0 | 0 | 0 | 109.6 | C629 E634 S635 | C629-F632 WeakPolarHBondContact O-CE1 3.34Å; F632-E634 VanDerWaalsContact C-N 3.34Å; F632-E634 HydrophobicContact CD2-CB 4.13Å; F632-E634 HydrophobicContact CE2-CB 4Å; F632-E634 PolarHBondContact O-N 2.86Å; F632-S635 VanDerWaalsContact CE2-N 3.28Å; F632-S635 PolarHBondContact O-N 2.85Å |
| 633 | E | 88.8 | Confident | 93 | Very high | 99 Ų | 99 | 74.1 Ų | 74.1 | 46% | 0.463 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -44.2 | -169.5 | -171.7 | 60.5 | -104.1 | 0 | 0 | 112.4 | M619 S635 K639 | M619-E633 VanDerWaalsContact CE-OE2 3.23Å; M619-E633 WeakPolarHBondContact CE-OE2 3.45Å; M619-E633 VanDerWaalsContact SD-CA 3.58Å; M619-E633 HydrophobicContact SD-CB 3.66Å; M619-E633 HydrophobicContact SD-CG 4.4Å; M619-E633 PolarHBondContact SD-N 3.25Å; M619-E633 VanDerWaalsContact SD-N 3.43Å; M619-E633 VanDerWaalsContact SD-OE2 3.4Å; E633-S635 PolarHBondContact O-N 3.04Å; E633-K639 WeakPolarHBondContact O-CE 3.44Å; E633-K639 PolarHBondContact O-NZ 3.12Å |
| 634 | E | 89 | Confident | 92.8 | Very high | 132 Ų | 132 | 75.5 Ų | 75.5 | 62% | 0.617 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | -2 | -176.4 | -59.4 | 71.9 | -155.6 | 0 | 0 | 114.7 | F632 P636 | F632-E634 VanDerWaalsContact C-N 3.34Å; F632-E634 HydrophobicContact CD2-CB 4.13Å; F632-E634 HydrophobicContact CE2-CB 4Å; F632-E634 PolarHBondContact O-N 2.86Å; E634-P636 WeakPolarHBondContact O-CD 3.41Å |
| 635 | S | 92.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 77.3 Ų | 77.3 | 0% | 0 | 41% | 0.405 | C | S | . | . | trans | -63.4 | 122.6 | -175.1 | 164.9 | 0 | 0 | 0 | 0 | 111.3 | K630 F632 E633 E637 R638 K639 | K630-S635 WeakPolarHBondContact O-CB 3.44Å; K630-S635 PolarHBondContact O-OG 2.93Å; F632-S635 VanDerWaalsContact CE2-N 3.28Å; F632-S635 PolarHBondContact O-N 2.85Å; E633-S635 PolarHBondContact O-N 3.04Å; S635-E637 VanDerWaalsContact C-N 3.26Å; S635-E637 PolarHBondContact O-N 2.92Å; S635-E637 PolarHBondContact OG-N 3.46Å; S635-E637 PolarHBondContact OG-OE2 2.96Å; S635-R638 PolarHBondContact O-N 2.96Å; S635-R638 PolarHBondContact OG-N 3.37Å; S635-K639 WeakPolarHBondContact O-CG 3.25Å; S635-K639 PolarHBondContact O-N 3.38Å | ||
| 636 | P | 91.4 | Very high | 92.2 | Very high | 84 Ų | 84 | 72.5 Ų | 72.5 | 55% | 0.545 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -64.1 | -35.1 | 175.4 | 26 | -32.8 | 0 | 0 | 0 | 111 | E634 K639 T640 | E634-P636 WeakPolarHBondContact O-CD 3.41Å; P636-K639 PolarHBondContact O-N 2.95Å; P636-T640 WeakPolarHBondContact O-CB 3.28Å; P636-T640 PolarHBondContact O-N 3.3Å; P636-T640 PolarHBondContact O-OG1 3.37Å |
| 637 | E | 91.6 | Very high | 92 | Very high | 68 Ų | 68 | 73.7 Ų | 73.7 | 32% | 0.318 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -68.8 | -36.7 | 178.2 | -51 | 96.3 | 143.9 | 0 | 0 | 112.6 | L607 K630 S635 L641 | L607-E637 HydrophobicContact CD1-CB 3.64Å; K630-E637 HydrophobicContact CD-CG 4.23Å; K630-E637 WeakPolarHBondContact CD-OE1 3.49Å; K630-E637 VanDerWaalsContact CE-OE1 3.31Å; K630-E637 WeakPolarHBondContact CE-OE1 3.21Å; K630-E637 IonicContact NZ-OE1 2.65Å; K630-E637 PolarHBondContact NZ-OE1 3.04Å; S635-E637 VanDerWaalsContact C-N 3.26Å; S635-E637 PolarHBondContact O-N 2.92Å; S635-E637 PolarHBondContact OG-N 3.46Å; S635-E637 PolarHBondContact OG-OE2 2.96Å; E637-L641 WeakPolarHBondContact O-CB 3.35Å; E637-L641 WeakPolarHBondContact O-CG 3.41Å; E637-L641 PolarHBondContact O-N 3.26Å |
| 638 | R | 91 | Very high | 91.7 | Very high | 43 Ų | 43 | 70.4 Ų | 70.4 | 16% | 0.162 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -63.1 | -46.6 | 171.4 | -175.3 | 175.1 | 157.5 | 107.5 | 1.1 | 110.7 | L607 I618 N631 S635 L641 M642 | L607-R638 HydrophobicContact CD2-CB 3.91Å; L607-R638 HydrophobicContact CD2-CG 4.16Å; I618-R638 PolarHBondContact O-NH1 3Å; N631-R638 PolarHBondContact OD1-NH1 3.35Å; S635-R638 PolarHBondContact O-N 2.96Å; S635-R638 PolarHBondContact OG-N 3.37Å; R638-L641 PolarHBondContact O-N 3.16Å; R638-M642 WeakPolarHBondContact O-CB 3.27Å; R638-M642 PolarHBondContact O-N 3.12Å |
| 639 | K | 89.4 | Confident | 91.5 | Very high | 90 Ų | 90 | 74.2 Ų | 74.2 | 39% | 0.391 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -63.8 | -42.4 | 179.7 | -68.3 | -178 | -171.6 | -172 | 0 | 112.1 | E633 S635 P636 M642 H643 | E633-K639 WeakPolarHBondContact O-CE 3.44Å; E633-K639 PolarHBondContact O-NZ 3.12Å; S635-K639 WeakPolarHBondContact O-CG 3.25Å; S635-K639 PolarHBondContact O-N 3.38Å; P636-K639 PolarHBondContact O-N 2.95Å; K639-M642 PolarHBondContact O-N 3.19Å; K639-H643 VanDerWaalsContact O-CG 3.26Å; K639-H643 PolarHBondContact O-N 3.06Å |
| 640 | T | 91.4 | Very high | 91.3 | Very high | 80 Ų | 80 | 76.9 Ų | 76.9 | 49% | 0.491 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -59.5 | -46.9 | 173.1 | -57.4 | 0 | 0 | 0 | 0 | 111.7 | P636 M642 L644 | P636-T640 WeakPolarHBondContact O-CB 3.28Å; P636-T640 PolarHBondContact O-N 3.3Å; P636-T640 PolarHBondContact O-OG1 3.37Å; T640-M642 VanDerWaalsContact C-N 3.34Å; T640-M642 PolarHBondContact O-N 3.38Å; T640-L644 HydrophobicContact CG2-CD1 4.17Å; T640-L644 WeakPolarHBondContact O-CB 3.49Å; T640-L644 WeakPolarHBondContact O-CD1 3.27Å; T640-L644 PolarHBondContact O-N 3.43Å |
| 641 | L | 89.4 | Confident | 91 | Very high | 72 Ų | 72 | 80.3 Ų | 80.3 | 38% | 0.377 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -64.7 | -36.2 | 178.2 | -75.8 | 171.3 | 0 | 0 | 0 | 113.1 | L607 E637 R638 A645 | L607-L641 HydrophobicContact CB-CD1 3.96Å; L607-L641 HydrophobicContact CD1-CD1 4.13Å; L607-L641 HydrophobicContact CD2-CD1 4.5Å; L607-L641 HydrophobicContact CG-CD1 4.43Å; E637-L641 WeakPolarHBondContact O-CB 3.35Å; E637-L641 WeakPolarHBondContact O-CG 3.41Å; E637-L641 PolarHBondContact O-N 3.26Å; R638-L641 PolarHBondContact O-N 3.16Å; L641-A645 PolarHBondContact O-N 2.91Å; L641-A645 VanDerWaalsContact O-N 3.12Å |
| 642 | M | 87.9 | Confident | 90.8 | Very high | 106 Ų | 106 | 84.3 Ų | 84.3 | 52% | 0.522 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -65.1 | -54.2 | 175.7 | -177.8 | 165.7 | 166.1 | 0 | 0 | 111 | R638 K639 T640 L644 A645 D646 | R638-M642 WeakPolarHBondContact O-CB 3.27Å; R638-M642 PolarHBondContact O-N 3.12Å; K639-M642 PolarHBondContact O-N 3.19Å; T640-M642 VanDerWaalsContact C-N 3.34Å; T640-M642 PolarHBondContact O-N 3.38Å; M642-L644 PolarHBondContact O-N 3.44Å; M642-L644 VanDerWaalsContact O-N 3.16Å; M642-A645 WeakPolarHBondContact O-CA 3.24Å; M642-A645 WeakPolarHBondContact O-CB 3.44Å; M642-A645 PolarHBondContact O-N 2.97Å; M642-D646 PolarHBondContact O-N 2.98Å |
| 643 | H | 89.4 | Confident | 90.6 | Very high | 122 Ų | 122 | 86.9 Ų | 86.9 | 57% | 0.565 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -59 | -32.7 | 178.2 | -60.3 | 165.4 | 0 | 0 | 0 | 113 | K639 A647 | K639-H643 VanDerWaalsContact O-CG 3.26Å; K639-H643 PolarHBondContact O-N 3.06Å; H643-A647 WeakPolarHBondContact O-CB 3.41Å; H643-A647 PolarHBondContact O-N 3.37Å |
| 644 | L | 90.9 | Very high | 90.7 | Very high | 111 Ų | 111 | 88.8 Ų | 88.8 | 58% | 0.581 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -68.9 | -33.9 | 173.6 | -100.2 | 65.8 | 0 | 0 | 0 | 112.9 | T640 M642 A648 | T640-L644 HydrophobicContact CG2-CD1 4.17Å; T640-L644 WeakPolarHBondContact O-CB 3.49Å; T640-L644 WeakPolarHBondContact O-CD1 3.27Å; T640-L644 PolarHBondContact O-N 3.43Å; M642-L644 PolarHBondContact O-N 3.44Å; M642-L644 VanDerWaalsContact O-N 3.16Å; L644-A648 WeakPolarHBondContact O-CB 3.43Å; L644-A648 PolarHBondContact O-N 3.36Å; L644-A648 VanDerWaalsContact O-N 3.16Å |
| 645 | A | 89.1 | Confident | 90.7 | Very high | 54 Ų | 54 | 89 Ų | 89 | 45% | 0.446 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -71.2 | -47.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | L641 M642 A647 A648 E649 | L641-A645 PolarHBondContact O-N 2.91Å; L641-A645 VanDerWaalsContact O-N 3.12Å; M642-A645 WeakPolarHBondContact O-CA 3.24Å; M642-A645 WeakPolarHBondContact O-CB 3.44Å; M642-A645 PolarHBondContact O-N 2.97Å; A645-A647 VanDerWaalsContact C-N 3.33Å; A645-A647 PolarHBondContact O-N 2.92Å; A645-A648 CarbonylContact O-C 3.6Å; A645-A648 WeakPolarHBondContact O-CA 3.45Å; A645-A648 WeakPolarHBondContact O-CB 3.36Å; A645-A648 PolarHBondContact O-N 2.95Å; A645-E649 PolarHBondContact O-N 3.14Å |
| 646 | D | 90.9 | Very high | 90.4 | Very high | 66 Ų | 66 | 92.8 Ų | 92.8 | 35% | 0.353 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -58.4 | -45.4 | 177.9 | -52.4 | -31.3 | 0 | 0 | 0 | 110.7 | M642 A648 E649 V650 | M642-D646 PolarHBondContact O-N 2.98Å; D646-A648 VanDerWaalsContact C-N 3.27Å; D646-A648 PolarHBondContact O-N 3.18Å; D646-E649 PolarHBondContact O-N 3.48Å; D646-V650 WeakPolarHBondContact O-CG2 3.5Å; D646-V650 PolarHBondContact O-N 3.33Å |
| 647 | A | 92.1 | Very high | 90.1 | Very high | 50 Ų | 50 | 91.7 Ų | 91.7 | 41% | 0.413 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -71.2 | -16 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | H643 A645 R651 | H643-A647 WeakPolarHBondContact O-CB 3.41Å; H643-A647 PolarHBondContact O-N 3.37Å; A645-A647 VanDerWaalsContact C-N 3.33Å; A645-A647 PolarHBondContact O-N 2.92Å; A647-R651 WeakPolarHBondContact O-CG 3.43Å; A647-R651 PolarHBondContact O-NE 3.44Å |
| 648 | A | 92.4 | Very high | 89.6 | Confident | 40 Ų | 40 | 90.9 Ų | 90.9 | 33% | 0.331 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -82.4 | -44.3 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | L644 A645 D646 R651 V652 | L644-A648 WeakPolarHBondContact O-CB 3.43Å; L644-A648 PolarHBondContact O-N 3.36Å; L644-A648 VanDerWaalsContact O-N 3.16Å; A645-A648 CarbonylContact O-C 3.6Å; A645-A648 WeakPolarHBondContact O-CA 3.45Å; A645-A648 WeakPolarHBondContact O-CB 3.36Å; A645-A648 PolarHBondContact O-N 2.95Å; D646-A648 VanDerWaalsContact C-N 3.27Å; D646-A648 PolarHBondContact O-N 3.18Å; A648-R651 PolarHBondContact O-N 3.38Å; A648-V652 WeakPolarHBondContact O-CG2 3.44Å; A648-V652 PolarHBondContact O-N 3.49Å |
| 649 | E | 91.9 | Very high | 89.1 | Confident | 137 Ų | 137 | 96.6 Ų | 96.6 | 64% | 0.64 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.3 | -45 | 178 | -174 | 159.9 | -158.1 | 0 | 0 | 111.7 | A645 D646 R651 V652 Q653 | A645-E649 PolarHBondContact O-N 3.14Å; D646-E649 PolarHBondContact O-N 3.48Å; E649-R651 VanDerWaalsContact C-N 3.29Å; E649-R651 PolarHBondContact O-N 2.71Å; E649-V652 PolarHBondContact O-N 3.05Å; E649-Q653 WeakPolarHBondContact O-CB 3.11Å; E649-Q653 PolarHBondContact O-N 2.76Å |
| 650 | V | 91.4 | Very high | 88.5 | Confident | 92 Ų | 92 | 96.5 Ų | 96.5 | 56% | 0.558 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -57.4 | -40.6 | 173.3 | 169.9 | 0 | 0 | 0 | 0 | 111.9 | D646 Q653 Q654 | D646-V650 WeakPolarHBondContact O-CG2 3.5Å; D646-V650 PolarHBondContact O-N 3.33Å; V650-Q653 PolarHBondContact O-N 3.28Å; V650-Q654 VanDerWaalsContact O-CB 3.31Å; V650-Q654 WeakPolarHBondContact O-CB 3.38Å; V650-Q654 PolarHBondContact O-N 3.13Å |
| 651 | R | 91 | Very high | 87.7 | Confident | 158 Ų | 158 | 99.3 Ų | 99.3 | 60% | 0.596 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -70.7 | -40.5 | 177.5 | -76.7 | -174.3 | -67.3 | 169.3 | 2.7 | 112.5 | A647 A648 E649 Q653 Q654 Q655 | A647-R651 WeakPolarHBondContact O-CG 3.43Å; A647-R651 PolarHBondContact O-NE 3.44Å; A648-R651 PolarHBondContact O-N 3.38Å; E649-R651 VanDerWaalsContact C-N 3.29Å; E649-R651 PolarHBondContact O-N 2.71Å; R651-Q653 VanDerWaalsContact C-N 3.32Å; R651-Q654 PolarHBondContact O-N 2.86Å; R651-Q655 WeakPolarHBondContact O-CB 3.42Å; R651-Q655 VanDerWaalsContact O-CG 3.3Å; R651-Q655 WeakPolarHBondContact O-CG 3.41Å; R651-Q655 PolarHBondContact O-N 3.42Å |
| 652 | V | 91.4 | Very high | 86.5 | Confident | 84 Ų | 84 | 100.9 Ų | 100.9 | 51% | 0.509 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.4 | -40.3 | 173.5 | 171.8 | 0 | 0 | 0 | 0 | 110.5 | A648 E649 Q655 T656 | A648-V652 WeakPolarHBondContact O-CG2 3.44Å; A648-V652 PolarHBondContact O-N 3.49Å; E649-V652 PolarHBondContact O-N 3.05Å; V652-Q655 PolarHBondContact O-N 2.97Å; V652-T656 VanDerWaalsContact O-CB 3.3Å; V652-T656 WeakPolarHBondContact O-CB 3.45Å; V652-T656 PolarHBondContact O-N 3.49Å; V652-T656 PolarHBondContact O-OG1 3.07Å |
| 653 | Q | 90.5 | Very high | 85.5 | Confident | 137 Ų | 137 | 99 Ų | 99 | 64% | 0.64 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -69.2 | -38.3 | 177.5 | -165.2 | 172.1 | 24.2 | 0 | 0 | 112 | E649 V650 R651 T656 A657 | E649-Q653 WeakPolarHBondContact O-CB 3.11Å; E649-Q653 PolarHBondContact O-N 2.76Å; V650-Q653 PolarHBondContact O-N 3.28Å; R651-Q653 VanDerWaalsContact C-N 3.32Å; Q653-T656 PolarHBondContact O-N 2.92Å; Q653-A657 WeakPolarHBondContact O-CB 3.18Å; Q653-A657 PolarHBondContact O-N 3.21Å |
| 654 | Q | 90.1 | Very high | 84.2 | Confident | 138 Ų | 138 | 95.7 Ų | 95.7 | 65% | 0.645 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -66.6 | -43.6 | 173.9 | -169.7 | 177.7 | 30.2 | 0 | 0 | 112 | V650 R651 T656 A657 A658 | V650-Q654 VanDerWaalsContact O-CB 3.31Å; V650-Q654 WeakPolarHBondContact O-CB 3.38Å; V650-Q654 PolarHBondContact O-N 3.13Å; R651-Q654 PolarHBondContact O-N 2.86Å; Q654-T656 VanDerWaalsContact C-N 3.34Å; Q654-A657 PolarHBondContact O-N 3.07Å; Q654-A658 WeakPolarHBondContact O-CB 3.13Å; Q654-A658 PolarHBondContact O-N 3.11Å |
| 655 | Q | 88.3 | Confident | 82.9 | Confident | 138 Ų | 138 | 95 Ų | 95 | 65% | 0.645 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.7 | -40.8 | 171.7 | -75 | 176.3 | -13 | 0 | 0 | 111.8 | R651 V652 A658 K659 | R651-Q655 WeakPolarHBondContact O-CB 3.42Å; R651-Q655 VanDerWaalsContact O-CG 3.3Å; R651-Q655 WeakPolarHBondContact O-CG 3.41Å; R651-Q655 PolarHBondContact O-N 3.42Å; V652-Q655 PolarHBondContact O-N 2.97Å; Q655-A658 PolarHBondContact O-N 3.06Å; Q655-K659 VanDerWaalsContact O-CB 3.31Å; Q655-K659 WeakPolarHBondContact O-CB 3.35Å; Q655-K659 PolarHBondContact O-N 2.8Å |
| 656 | T | 87.5 | Confident | 81.7 | Confident | 78 Ų | 78 | 97.1 Ų | 97.1 | 48% | 0.479 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.8 | -47 | 176.1 | -55.9 | 0 | 0 | 0 | 0 | 110.8 | V652 Q653 Q654 A658 K659 T660 | V652-T656 VanDerWaalsContact O-CB 3.3Å; V652-T656 WeakPolarHBondContact O-CB 3.45Å; V652-T656 PolarHBondContact O-N 3.49Å; V652-T656 PolarHBondContact O-OG1 3.07Å; Q653-T656 PolarHBondContact O-N 2.92Å; Q654-T656 VanDerWaalsContact C-N 3.34Å; T656-A658 VanDerWaalsContact C-N 3.34Å; T656-A658 PolarHBondContact O-N 2.81Å; T656-K659 PolarHBondContact O-N 3.17Å; T656-T660 WeakPolarHBondContact O-CB 3.41Å; T656-T660 PolarHBondContact O-N 2.84Å; T656-T660 PolarHBondContact O-OG1 2.85Å |
| 657 | A | 84.1 | Confident | 80.2 | Confident | 61 Ų | 61 | 96.8 Ų | 96.8 | 50% | 0.504 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.3 | -40.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q653 Q654 K661 | Q653-A657 WeakPolarHBondContact O-CB 3.18Å; Q653-A657 PolarHBondContact O-N 3.21Å; Q654-A657 PolarHBondContact O-N 3.07Å; A657-K661 VanDerWaalsContact O-CB 3.26Å; A657-K661 WeakPolarHBondContact O-CB 3.47Å; A657-K661 PolarHBondContact O-N 2.76Å |
| 658 | A | 81.8 | Confident | 78.3 | Confident | 52 Ų | 52 | 99.2 Ų | 99.2 | 43% | 0.43 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.2 | -43.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112 | Q654 Q655 T656 K661 L662 | Q654-A658 WeakPolarHBondContact O-CB 3.13Å; Q654-A658 PolarHBondContact O-N 3.11Å; Q655-A658 PolarHBondContact O-N 3.06Å; T656-A658 VanDerWaalsContact C-N 3.34Å; T656-A658 PolarHBondContact O-N 2.81Å; A658-K661 PolarHBondContact O-N 3.26Å; A658-L662 WeakPolarHBondContact O-CB 3.38Å; A658-L662 PolarHBondContact O-N 2.77Å |
| 659 | K | 80.9 | Confident | 76.6 | Confident | 163 Ų | 163 | 104.1 Ų | 104.1 | 71% | 0.709 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -64.5 | -41.1 | 176.3 | -176 | 171.7 | -179.6 | 174.3 | 0 | 112.1 | Q655 T656 S663 | Q655-K659 VanDerWaalsContact O-CB 3.31Å; Q655-K659 WeakPolarHBondContact O-CB 3.35Å; Q655-K659 PolarHBondContact O-N 2.8Å; T656-K659 PolarHBondContact O-N 3.17Å; K659-S663 VanDerWaalsContact O-CB 3.23Å; K659-S663 WeakPolarHBondContact O-CB 3.21Å; K659-S663 PolarHBondContact O-N 3.11Å |
| 660 | T | 76.6 | Confident | 74.8 | Confident | 87 Ų | 87 | 102.6 Ų | 102.6 | 53% | 0.534 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -66.4 | -39.1 | 174.3 | -61.7 | 0 | 0 | 0 | 0 | 111.3 | T656 S663 S664 | T656-T660 WeakPolarHBondContact O-CB 3.41Å; T656-T660 PolarHBondContact O-N 2.84Å; T656-T660 PolarHBondContact O-OG1 2.85Å; T660-S663 PolarHBondContact O-N 3.42Å; T660-S664 WeakPolarHBondContact O-CB 3.5Å; T660-S664 PolarHBondContact O-N 2.95Å; T660-S664 PolarHBondContact O-OG 3.38Å |
| 661 | K | 74.1 | Confident | 73 | Confident | 140 Ų | 140 | 103.5 Ų | 103.5 | 61% | 0.609 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -69.3 | -36.6 | 177.2 | -168.4 | 174 | -176.6 | 179.8 | 0 | 112.9 | A657 A658 S664 Q665 | A657-K661 VanDerWaalsContact O-CB 3.26Å; A657-K661 WeakPolarHBondContact O-CB 3.47Å; A657-K661 PolarHBondContact O-N 2.76Å; A658-K661 PolarHBondContact O-N 3.26Å; K661-S664 PolarHBondContact O-OG 2.91Å; K661-S664 VanDerWaalsContact O-OG 3.06Å; K661-Q665 WeakPolarHBondContact O-CB 3.48Å; K661-Q665 VanDerWaalsContact O-CG 3.25Å; K661-Q665 WeakPolarHBondContact O-CG 3.49Å; K661-Q665 PolarHBondContact O-N 3Å |
| 662 | L | 64.9 | Low | 70.8 | Confident | 104 Ų | 104 | 105.2 Ų | 105.2 | 55% | 0.545 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -67.2 | -43.4 | 168.6 | -81.5 | 167.2 | 0 | 0 | 0 | 111.3 | A658 S664 Q665 I666 | A658-L662 WeakPolarHBondContact O-CB 3.38Å; A658-L662 PolarHBondContact O-N 2.77Å; L662-S664 VanDerWaalsContact C-N 3.34Å; L662-S664 PolarHBondContact O-N 3.45Å; L662-Q665 PolarHBondContact O-N 3.5Å; L662-I666 VanDerWaalsContact O-CG1 3.26Å; L662-I666 WeakPolarHBondContact O-CG1 3.24Å; L662-I666 PolarHBondContact O-N 3.03Å |
| 663 | S | 66.2 | Low | 68.4 | Low | 67 Ų | 67 | 106.6 Ų | 106.6 | 47% | 0.469 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -63.3 | -39.1 | 177.8 | -168.4 | 0 | 0 | 0 | 0 | 112.1 | K659 T660 I666 S667 | K659-S663 VanDerWaalsContact O-CB 3.23Å; K659-S663 WeakPolarHBondContact O-CB 3.21Å; K659-S663 PolarHBondContact O-N 3.11Å; T660-S663 PolarHBondContact O-N 3.42Å; S663-I666 PolarHBondContact O-N 3.23Å; S663-S667 PolarHBondContact O-N 2.73Å; S663-S667 PolarHBondContact O-OG 2.91Å |
| 664 | S | 61.8 | Low | 66.3 | Low | 53 Ų | 53 | 106.2 Ų | 106.2 | 37% | 0.371 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -68.9 | -42.1 | 175 | 70.3 | 0 | 0 | 0 | 0 | 110.9 | T660 K661 L662 I666 S667 D668 | T660-S664 WeakPolarHBondContact O-CB 3.5Å; T660-S664 PolarHBondContact O-N 2.95Å; T660-S664 PolarHBondContact O-OG 3.38Å; K661-S664 PolarHBondContact O-OG 2.91Å; K661-S664 VanDerWaalsContact O-OG 3.06Å; L662-S664 VanDerWaalsContact C-N 3.34Å; L662-S664 PolarHBondContact O-N 3.45Å; S664-I666 VanDerWaalsContact C-N 3.3Å; S664-I666 PolarHBondContact O-N 3.31Å; S664-S667 CarbonylContact O-C 3.51Å; S664-S667 PolarHBondContact O-N 2.88Å; S664-S667 VanDerWaalsContact O-N 3.16Å; S664-D668 WeakPolarHBondContact O-CB 3.35Å; S664-D668 VanDerWaalsContact O-CG 3.22Å; S664-D668 PolarHBondContact O-N 2.75Å |
| 665 | Q | 64.3 | Low | 64.1 | Low | 97 Ų | 97 | 104 Ų | 104 | 45% | 0.453 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -60 | -37.7 | 173.3 | -76.4 | 174.6 | -22.8 | 0 | 0 | 112.7 | K661 L662 L669 | K661-Q665 WeakPolarHBondContact O-CB 3.48Å; K661-Q665 VanDerWaalsContact O-CG 3.25Å; K661-Q665 WeakPolarHBondContact O-CG 3.49Å; K661-Q665 PolarHBondContact O-N 3Å; L662-Q665 PolarHBondContact O-N 3.5Å; Q665-L669 WeakPolarHBondContact O-CB 3.37Å; Q665-L669 VanDerWaalsContact O-CG 3.23Å; Q665-L669 WeakPolarHBondContact O-CG 3.41Å; Q665-L669 PolarHBondContact O-N 2.92Å |
| 666 | I | 62.5 | Low | 62 | Low | 98 Ų | 98 | 101.8 Ų | 101.8 | 50% | 0.503 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -69.1 | -41.7 | 174.3 | -67.8 | 162.7 | 0 | 0 | 0 | 110.8 | L662 S663 S664 L669 L670 | L662-I666 VanDerWaalsContact O-CG1 3.26Å; L662-I666 WeakPolarHBondContact O-CG1 3.24Å; L662-I666 PolarHBondContact O-N 3.03Å; S663-I666 PolarHBondContact O-N 3.23Å; S664-I666 VanDerWaalsContact C-N 3.3Å; S664-I666 PolarHBondContact O-N 3.31Å; I666-L669 PolarHBondContact O-N 3.29Å; I666-L670 HydrophobicContact CG2-CD1 4.22Å; I666-L670 VanDerWaalsContact O-CG 3.31Å; I666-L670 WeakPolarHBondContact O-CG 3.3Å; I666-L670 PolarHBondContact O-N 3.2Å; I666-L670 VanDerWaalsContact O-N 3.15Å |
| 667 | S | 59.5 | Low | 59.9 | Low | 59 Ų | 59 | 105.5 Ų | 105.5 | 41% | 0.413 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -65.2 | -38.2 | 173.5 | -67.2 | 0 | 0 | 0 | 0 | 112.9 | S663 S664 L670 T671 | S663-S667 PolarHBondContact O-N 2.73Å; S663-S667 PolarHBondContact O-OG 2.91Å; S664-S667 CarbonylContact O-C 3.51Å; S664-S667 PolarHBondContact O-N 2.88Å; S664-S667 VanDerWaalsContact O-N 3.16Å; S667-L670 CarbonylContact O-C 3.58Å; S667-L670 PolarHBondContact O-N 2.91Å; S667-L670 VanDerWaalsContact O-N 3.13Å; S667-T671 WeakPolarHBondContact O-CB 3.23Å; S667-T671 PolarHBondContact O-N 3.23Å; S667-T671 PolarHBondContact O-OG1 3.31Å |
| 668 | D | 52.9 | Low | 58.3 | Low | 100 Ų | 100 | 110 Ų | 110 | 54% | 0.535 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -66 | -40.1 | 175.6 | -71.7 | -37.1 | 0 | 0 | 0 | 110.8 | S664 L670 T671 R672 | S664-D668 WeakPolarHBondContact O-CB 3.35Å; S664-D668 VanDerWaalsContact O-CG 3.22Å; S664-D668 PolarHBondContact O-N 2.75Å; D668-L670 PolarHBondContact O-N 3.15Å; D668-T671 PolarHBondContact O-N 3.17Å; D668-T671 VanDerWaalsContact O-N 3.16Å; D668-R672 VanDerWaalsContact O-CB 3.22Å; D668-R672 WeakPolarHBondContact O-CB 3.28Å; D668-R672 PolarHBondContact O-N 3.43Å |
| 669 | L | 55.8 | Low | 56.6 | Low | 143 Ų | 143 | 112.9 Ų | 112.9 | 75% | 0.749 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -63.3 | -24.2 | 171.8 | -75.6 | 167.7 | 0 | 0 | 0 | 113.3 | Q665 I666 | Q665-L669 WeakPolarHBondContact O-CB 3.37Å; Q665-L669 VanDerWaalsContact O-CG 3.23Å; Q665-L669 WeakPolarHBondContact O-CG 3.41Å; Q665-L669 PolarHBondContact O-N 2.92Å; I666-L669 PolarHBondContact O-N 3.29Å |
| 670 | L | 55.7 | Low | 55.1 | Low | 106 Ų | 106 | 109.6 Ų | 109.6 | 56% | 0.555 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -92 | -13.6 | 175.2 | -67.4 | 167.3 | 0 | 0 | 0 | 113.7 | I666 S667 D668 F686 | I666-L670 HydrophobicContact CG2-CD1 4.22Å; I666-L670 VanDerWaalsContact O-CG 3.31Å; I666-L670 WeakPolarHBondContact O-CG 3.3Å; I666-L670 PolarHBondContact O-N 3.2Å; I666-L670 VanDerWaalsContact O-N 3.15Å; S667-L670 CarbonylContact O-C 3.58Å; S667-L670 PolarHBondContact O-N 2.91Å; S667-L670 VanDerWaalsContact O-N 3.13Å; D668-L670 PolarHBondContact O-N 3.15Å; L670-F686 HydrophobicContact CD2-CD1 4.39Å; L670-F686 HydrophobicContact CD2-CE1 3.72Å; L670-F686 HydrophobicContact CD2-CZ 3.99Å |
| 671 | T | 53.7 | Low | 53.7 | Low | 111 Ų | 111 | 108.8 Ų | 108.8 | 68% | 0.681 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -117.5 | -18.4 | -172.4 | -45.3 | 0 | 0 | 0 | 0 | 113.2 | S667 D668 | S667-T671 WeakPolarHBondContact O-CB 3.23Å; S667-T671 PolarHBondContact O-N 3.23Å; S667-T671 PolarHBondContact O-OG1 3.31Å; D668-T671 PolarHBondContact O-N 3.17Å; D668-T671 VanDerWaalsContact O-N 3.16Å |
| 672 | R | 43.2 | Very low | 52.5 | Low | 193 Ų | 193 | 105.9 Ų | 105.9 | 73% | 0.728 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -79.6 | 127.5 | 176.9 | -163.8 | -177 | -169.5 | -149.2 | 1 | 110.6 | D668 T674 | D668-R672 VanDerWaalsContact O-CB 3.22Å; D668-R672 WeakPolarHBondContact O-CB 3.28Å; D668-R672 PolarHBondContact O-N 3.43Å; R672-T674 PolarHBondContact O-N 2.77Å |
| 673 | P | 41.5 | Very low | 52 | Low | 113 Ų | 113 | 108.9 Ų | 108.9 | 73% | 0.734 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 132.7 | 165 | -21.7 | 33 | 0 | 0 | 0 | 109.8 | ||
| 674 | T | 47.7 | Very low | 51.5 | Low | 130 Ų | 130 | 112.1 Ų | 112.1 | 80% | 0.798 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 135.2 | 173.2 | 29.1 | 0 | 0 | 0 | 0 | 109.9 | R672 A676 | R672-T674 PolarHBondContact O-N 2.77Å; T674-A676 PolarHBondContact O-N 3.06Å |
| 675 | P | 43.3 | Very low | 51.1 | Low | 90 Ų | 90 | 114.3 Ų | 114.3 | 58% | 0.584 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 139.4 | 163.6 | 28.5 | -33.5 | 0 | 0 | 0 | 108.1 | L677 | P675-L677 PolarHBondContact O-N 3.31Š|
| 676 | A | 44.8 | Very low | 50.5 | Low | 93 Ų | 93 | 117.1 Ų | 117.1 | 77% | 0.769 | 70% | 0.702 | S | S | * | * | trans | -68.3 | 98.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | T674 | T674-A676 PolarHBondContact O-N 3.06Š| ||
| 677 | L | 43.1 | Very low | 50.5 | Low | 155 Ų | 155 | 116.4 Ų | 116.4 | 81% | 0.812 | 70% | 0.702 | S | S | * | * | trans | -76.3 | 120.5 | 158.9 | -105.6 | 79 | 0 | 0 | 0 | 108.3 | P675 S679 | P675-L677 PolarHBondContact O-N 3.31Å; L677-S679 PolarHBondContact O-N 3.01Å | ||
| 678 | N | 50.3 | Low | 50.8 | Low | 155 Ų | 155 | 116.2 Ų | 116.2 | 83% | 0.829 | 69% | 0.694 | S | S | * | * | trans | -71.9 | 89.1 | 171.1 | -74.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 679 | S | 45.9 | Very low | 52 | Low | 114 Ų | 114 | 116.2 Ų | 116.2 | 80% | 0.797 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -161.1 | 140.1 | 158.2 | -82.2 | 0 | 0 | 0 | 0 | 110.7 | L677 G681 | L677-S679 PolarHBondContact O-N 3.01Å; S679-G681 PolarHBondContact O-N 3.26Å |
| 680 | G | 49.5 | Very low | 53.4 | Low | 94 Ų | 94 | 112.1 Ų | 112.1 | 97% | 0.969 | 68% | 0.678 | S | S | * | * | trans | -71.7 | 117.2 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 681 | G | 46.3 | Very low | 54.9 | Low | 70 Ų | 70 | 114.2 Ų | 114.2 | 72% | 0.722 | 68% | 0.683 | S | S | * | * | trans | -158.2 | 132.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | S679 | S679-G681 PolarHBondContact O-N 3.26Š| ||
| 682 | G | 50.6 | Low | 56.4 | Low | 78 Ų | 78 | 116 Ų | 116 | 80% | 0.804 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 136.2 | -170.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | L684 | G682-L684 PolarHBondContact O-N 2.65Š|
| 683 | K | 53.8 | Low | 58.6 | Low | 167 Ų | 167 | 109 Ų | 109 | 73% | 0.726 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -61 | 127.7 | 177.1 | -68.5 | -176.3 | 179.1 | 178.7 | 0 | 111.2 | ||
| 684 | L | 55.7 | Low | 61 | Low | 135 Ų | 135 | 105.6 Ų | 105.6 | 71% | 0.707 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 151.8 | 175.7 | -70.9 | 174.2 | 0 | 0 | 0 | 111.3 | G682 F686 T687 | G682-L684 PolarHBondContact O-N 2.65Å; L684-F686 PolarHBondContact O-N 3.12Å; L684-T687 PolarHBondContact O-N 3.27Å; L684-T687 PolarHBondContact O-OG1 3.26Å |
| 685 | P | 53.5 | Low | 63 | Low | 99 Ų | 99 | 103.9 Ų | 103.9 | 64% | 0.643 | 63% | 0.627 | S | S | * | * | G | 310 helix | trans | -64.3 | -12.6 | -167.9 | 24.1 | -35.1 | 0 | 0 | 0 | 115.7 | T687 F688 | P685-T687 PolarHBondContact O-N 3.06Å; P685-T687 VanDerWaalsContact O-N 3.12Å; P685-F688 PolarHBondContact O-N 3.13Å |
| 686 | F | 51.3 | Low | 65.3 | Low | 157 Ų | 157 | 102.1 Ų | 102.1 | 69% | 0.689 | 62% | 0.62 | S | S | * | * | G | 310 helix | trans | -62.9 | -18.1 | -178.9 | -148.7 | -86 | 0 | 0 | 0 | 113.6 | L670 L684 F688 | L670-F686 HydrophobicContact CD2-CD1 4.39Å; L670-F686 HydrophobicContact CD2-CE1 3.72Å; L670-F686 HydrophobicContact CD2-CZ 3.99Å; L684-F686 PolarHBondContact O-N 3.12Å; F686-F688 VanDerWaalsContact C-N 3.31Å; F686-F688 PolarHBondContact O-N 3.4Å |
| 687 | T | 61.9 | Low | 67.7 | Low | 82 Ų | 82 | 98.9 Ų | 98.9 | 50% | 0.503 | 59% | 0.59 | S | S | . | * | G | 310 helix | trans | -78 | -6 | -179.5 | 61.4 | 0 | 0 | 0 | 0 | 115.1 | L684 P685 | L684-T687 PolarHBondContact O-N 3.27Å; L684-T687 PolarHBondContact O-OG1 3.26Å; P685-T687 PolarHBondContact O-N 3.06Å; P685-T687 VanDerWaalsContact O-N 3.12Å |
| 688 | F | 65.8 | Low | 70.1 | Confident | 55 Ų | 55 | 94.7 Ų | 94.7 | 24% | 0.241 | 57% | 0.573 | C | S | . | * | S | Bend | trans | -100.5 | -22.2 | -174 | -70.9 | -82.3 | 0 | 0 | 0 | 114.8 | P685 F686 T690 A737 A740 | P685-F688 PolarHBondContact O-N 3.13Å; F686-F688 VanDerWaalsContact C-N 3.31Å; F686-F688 PolarHBondContact O-N 3.4Å; F688-T690 VanDerWaalsContact C-N 3.34Å; F688-T690 PolarHBondContact O-N 3.47Å; F688-A737 HydrophobicContact CB-CB 4.18Å; F688-A737 HydrophobicContact CD1-CB 3.84Å; F688-A737 HydrophobicContact CD2-CB 3.84Å; F688-A737 HydrophobicContact CE1-CB 4.2Å; F688-A737 HydrophobicContact CE2-CB 4.19Å; F688-A737 HydrophobicContact CG-CB 3.66Å; F688-A737 HydrophobicContact CZ-CB 4.36Å; F688-A740 HydrophobicContact CE1-CB 3.58Å; F688-A740 HydrophobicContact CZ-CB 3.54Å |
| 689 | V | 79.5 | Confident | 72.3 | Confident | 101 Ų | 101 | 92.3 Ų | 92.3 | 61% | 0.612 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -95.7 | 69.2 | 175.2 | -170.4 | 0 | 0 | 0 | 0 | 108.5 | V733 | V689-V733 HydrophobicContact CG2-CG1 4.4Š|
| 690 | T | 84.5 | Confident | 74.6 | Confident | 56 Ų | 56 | 89.8 Ų | 89.8 | 34% | 0.344 | 54% | 0.543 | S | S | . | . | trans | -69.3 | 163.1 | 172.7 | 70.3 | 0 | 0 | 0 | 0 | 110.3 | F688 E692 V693 A694 | F688-T690 VanDerWaalsContact C-N 3.34Å; F688-T690 PolarHBondContact O-N 3.47Å; T690-E692 PolarHBondContact O-N 3.29Å; T690-E692 PolarHBondContact OG1-N 3.12Å; T690-V693 PolarHBondContact O-N 3.44Å; T690-V693 VanDerWaalsContact O-N 3.13Å; T690-V693 WeakPolarHBondContact OG1-CG2 3.48Å; T690-V693 PolarHBondContact OG1-N 2.98Å; T690-A694 PolarHBondContact O-N 3.43Å | ||
| 691 | K | 86.5 | Confident | 76.8 | Confident | 151 Ų | 151 | 87 Ų | 87 | 66% | 0.657 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -51.3 | -42.3 | 171.8 | -178.8 | -173.7 | 163.9 | -169.5 | 0 | 111.6 | A694 E695 | K691-A694 PolarHBondContact O-N 3.24Å; K691-E695 WeakPolarHBondContact CE-OE1 3.37Å; K691-E695 WeakPolarHBondContact CE-OE2 3.13Å; K691-E695 HydrophobicContact CG-CG 4.42Å; K691-E695 IonicContact NZ-OE1 3.4Å; K691-E695 PolarHBondContact NZ-OE1 3.01Å; K691-E695 WeakPolarHBondContact O-CB 3.46Å; K691-E695 WeakPolarHBondContact O-CG 3.31Å; K691-E695 PolarHBondContact O-N 3.36Å |
| 692 | E | 86.3 | Confident | 79.2 | Confident | 148 Ų | 148 | 89.3 Ų | 89.3 | 69% | 0.692 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -64.9 | -40 | -179.5 | -60.4 | 163.6 | 166.7 | 0 | 0 | 112 | T690 E695 A696 | T690-E692 PolarHBondContact O-N 3.29Å; T690-E692 PolarHBondContact OG1-N 3.12Å; E692-E695 PolarHBondContact O-N 3.14Å; E692-A696 VanDerWaalsContact O-CB 3.24Å; E692-A696 WeakPolarHBondContact O-CB 3.39Å; E692-A696 PolarHBondContact O-N 2.98Å |
| 693 | V | 89.3 | Confident | 81.3 | Confident | 45 Ų | 45 | 87.9 Ų | 87.9 | 27% | 0.273 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -67.1 | -37.5 | 175.4 | 170.6 | 0 | 0 | 0 | 0 | 111.3 | T690 T697 V733 | T690-V693 PolarHBondContact O-N 3.44Å; T690-V693 VanDerWaalsContact O-N 3.13Å; T690-V693 WeakPolarHBondContact OG1-CG2 3.48Å; T690-V693 PolarHBondContact OG1-N 2.98Å; V693-T697 WeakPolarHBondContact O-CB 3.49Å; V693-T697 PolarHBondContact O-N 2.95Å; V693-T697 PolarHBondContact O-OG1 3.06Å; V693-V733 HydrophobicContact CG1-CG2 3.6Å |
| 694 | A | 91 | Very high | 83.3 | Confident | 43 Ų | 43 | 81.2 Ų | 81.2 | 36% | 0.355 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -67.2 | -45.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112 | T690 K691 T697 C698 | T690-A694 PolarHBondContact O-N 3.43Å; K691-A694 PolarHBondContact O-N 3.24Å; A694-T697 WeakPolarHBondContact O-CB 3.37Å; A694-T697 PolarHBondContact O-N 3.42Å; A694-C698 PolarHBondContact O-N 3.32Å; A694-C698 PolarHBondContact O-SG 3.29Å; A694-C698 VanDerWaalsContact O-SG 3.37Å |
| 695 | E | 91.4 | Very high | 85.1 | Confident | 93 Ų | 93 | 76.1 Ų | 76.1 | 44% | 0.435 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -64 | -42 | 177.3 | -74.6 | 176.3 | 153.2 | 0 | 0 | 111.8 | K691 E692 C698 N699 | K691-E695 WeakPolarHBondContact CE-OE1 3.37Å; K691-E695 WeakPolarHBondContact CE-OE2 3.13Å; K691-E695 HydrophobicContact CG-CG 4.42Å; K691-E695 IonicContact NZ-OE1 3.4Å; K691-E695 PolarHBondContact NZ-OE1 3.01Å; K691-E695 WeakPolarHBondContact O-CB 3.46Å; K691-E695 WeakPolarHBondContact O-CG 3.31Å; K691-E695 PolarHBondContact O-N 3.36Å; E692-E695 PolarHBondContact O-N 3.14Å; E695-C698 PolarHBondContact O-N 3.39Å; E695-N699 WeakPolarHBondContact O-CB 3.34Å; E695-N699 VanDerWaalsContact O-CG 3.25Å; E695-N699 PolarHBondContact O-N 2.96Å; E695-N699 PolarHBondContact O-ND2 3.46Å; E695-N699 VanDerWaalsContact O-ND2 3.11Å |
| 696 | A | 91.3 | Very high | 87.1 | Confident | 53 Ų | 53 | 76.3 Ų | 76.3 | 44% | 0.438 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -60.5 | -44.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112 | E692 N699 C700 | E692-A696 VanDerWaalsContact O-CB 3.24Å; E692-A696 WeakPolarHBondContact O-CB 3.39Å; E692-A696 PolarHBondContact O-N 2.98Å; A696-N699 PolarHBondContact O-N 2.87Å; A696-C700 PolarHBondContact O-N 3.32Å; A696-C700 PolarHBondContact O-SG 3.06Å; A696-C700 VanDerWaalsContact O-SG 3.38Å |
| 697 | T | 93.5 | Very high | 89 | Confident | 25 Ų | 25 | 72.4 Ų | 72.4 | 15% | 0.153 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -60.2 | -48.9 | 175.8 | -60.5 | 0 | 0 | 0 | 0 | 111 | V693 A694 N699 C700 L701 F726 C729 | V693-T697 WeakPolarHBondContact O-CB 3.49Å; V693-T697 PolarHBondContact O-N 2.95Å; V693-T697 PolarHBondContact O-OG1 3.06Å; A694-T697 WeakPolarHBondContact O-CB 3.37Å; A694-T697 PolarHBondContact O-N 3.42Å; T697-N699 VanDerWaalsContact C-N 3.32Å; T697-N699 PolarHBondContact O-N 2.97Å; T697-C700 WeakPolarHBondContact O-CB 2.81Å; T697-C700 PolarHBondContact O-N 3.33Å; T697-L701 WeakPolarHBondContact O-CG 3.42Å; T697-L701 PolarHBondContact O-N 2.97Å; T697-L701 VanDerWaalsContact O-N 3.12Å; T697-F726 HydrophobicContact CG2-CD2 4.17Å; T697-F726 HydrophobicContact CG2-CE2 4.32Å; T697-C729 HydrophobicContact CG2-CB 3.76Å |
| 698 | C | 95.1 | Very high | 90.5 | Very high | 67 Ų | 67 | 68.5 Ų | 68.5 | 45% | 0.453 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -58.1 | -42.9 | 176.5 | -72 | 0 | 0 | 0 | 0 | 112.2 | A694 E695 C700 L701 L702 | A694-C698 PolarHBondContact O-N 3.32Å; A694-C698 PolarHBondContact O-SG 3.29Å; A694-C698 VanDerWaalsContact O-SG 3.37Å; E695-C698 PolarHBondContact O-N 3.39Å; C698-C700 VanDerWaalsContact C-N 3.34Å; C698-C700 PolarHBondContact O-N 2.92Å; C698-L701 PolarHBondContact O-N 3.39Å; C698-L701 VanDerWaalsContact O-N 3.16Å; C698-L702 VanDerWaalsContact O-CD1 3.24Å; C698-L702 WeakPolarHBondContact O-CD1 3.49Å; C698-L702 PolarHBondContact O-N 2.9Å |
| 699 | N | 95.8 | Very high | 91.7 | Very high | 106 Ų | 106 | 71.6 Ų | 71.6 | 57% | 0.567 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -62.6 | -38.1 | 177.7 | -72.6 | -33.5 | 0 | 0 | 0 | 112.4 | E695 A696 T697 L702 A703 | E695-N699 WeakPolarHBondContact O-CB 3.34Å; E695-N699 VanDerWaalsContact O-CG 3.25Å; E695-N699 PolarHBondContact O-N 2.96Å; E695-N699 PolarHBondContact O-ND2 3.46Å; E695-N699 VanDerWaalsContact O-ND2 3.11Å; A696-N699 PolarHBondContact O-N 2.87Å; T697-N699 VanDerWaalsContact C-N 3.32Å; T697-N699 PolarHBondContact O-N 2.97Å; N699-L702 PolarHBondContact O-N 3.16Å; N699-A703 WeakPolarHBondContact O-CB 3.48Å; N699-A703 PolarHBondContact O-N 2.86Å |
| 700 | C | 94.4 | Very high | 92.4 | Very high | 61 Ų | 61 | 73.7 Ų | 73.7 | 41% | 0.412 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -61.8 | -43.1 | 172.1 | -67.4 | 0 | 0 | 0 | 0 | 112.2 | A696 T697 C698 A703 Q704 | A696-C700 PolarHBondContact O-N 3.32Å; A696-C700 PolarHBondContact O-SG 3.06Å; A696-C700 VanDerWaalsContact O-SG 3.38Å; T697-C700 WeakPolarHBondContact O-CB 2.81Å; T697-C700 PolarHBondContact O-N 3.33Å; C698-C700 VanDerWaalsContact C-N 3.34Å; C698-C700 PolarHBondContact O-N 2.92Å; C700-A703 PolarHBondContact O-N 3.35Å; C700-Q704 WeakPolarHBondContact O-CB 3.47Å; C700-Q704 PolarHBondContact O-N 2.8Å |
| 701 | L | 96.5 | Very high | 92.7 | Very high | 35 Ų | 35 | 76.6 Ų | 76.6 | 18% | 0.183 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -64.7 | -42.3 | 177.8 | -59 | -177 | 0 | 0 | 0 | 112.2 | T697 C698 Q704 A705 I722 E725 F726 | T697-L701 WeakPolarHBondContact O-CG 3.42Å; T697-L701 PolarHBondContact O-N 2.97Å; T697-L701 VanDerWaalsContact O-N 3.12Å; C698-L701 PolarHBondContact O-N 3.39Å; C698-L701 VanDerWaalsContact O-N 3.16Å; L701-Q704 PolarHBondContact O-N 2.9Å; L701-A705 PolarHBondContact O-N 3.32Å; L701-I722 HydrophobicContact CB-CG2 4.24Å; L701-I722 HydrophobicContact CD2-CG2 4.06Å; L701-I722 WeakPolarHBondContact CD2-O 3.49Å; L701-E725 HydrophobicContact CD2-CB 4.27Å; L701-F726 HydrophobicContact CD1-CD2 4.06Å; L701-F726 HydrophobicContact CD2-CB 3.77Å; L701-F726 HydrophobicContact CD2-CD2 4.45Å |
| 702 | L | 95.7 | Very high | 92.9 | Very high | 118 Ų | 118 | 72.8 Ų | 72.8 | 62% | 0.618 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -64.4 | -44.5 | 176.4 | -92.1 | 71.9 | 0 | 0 | 0 | 111.7 | C698 N699 Q704 A705 E706 | C698-L702 VanDerWaalsContact O-CD1 3.24Å; C698-L702 WeakPolarHBondContact O-CD1 3.49Å; C698-L702 PolarHBondContact O-N 2.9Å; N699-L702 PolarHBondContact O-N 3.16Å; L702-Q704 PolarHBondContact O-N 2.93Å; L702-A705 PolarHBondContact O-N 3.29Å; L702-E706 PolarHBondContact O-N 3.16Å |
| 703 | A | 95.3 | Very high | 93.2 | Very high | 49 Ų | 49 | 70.2 Ų | 70.2 | 41% | 0.405 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -63.4 | -30 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | N699 C700 Q707 | N699-A703 WeakPolarHBondContact O-CB 3.48Å; N699-A703 PolarHBondContact O-N 2.86Å; C700-A703 PolarHBondContact O-N 3.35Å; A703-Q707 WeakPolarHBondContact O-CB 3.41Å; A703-Q707 WeakPolarHBondContact O-CG 3.44Å; A703-Q707 PolarHBondContact O-N 2.99Å; A703-Q707 PolarHBondContact O-NE2 2.99Å |
| 704 | Q | 94.6 | Very high | 93.5 | Very high | 26 Ų | 26 | 72 Ų | 72 | 12% | 0.121 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -79.4 | -36.6 | 175.7 | -164.4 | 76 | -41.5 | 0 | 0 | 112.6 | C700 L701 L702 Q707 A708 M721 E725 | C700-Q704 WeakPolarHBondContact O-CB 3.47Å; C700-Q704 PolarHBondContact O-N 2.8Å; L701-Q704 PolarHBondContact O-N 2.9Å; L702-Q704 PolarHBondContact O-N 2.93Å; Q704-Q707 PolarHBondContact O-N 3.18Å; Q704-A708 PolarHBondContact O-N 2.9Å; Q704-M721 VanDerWaalsContact CD-SD 3.53Å; Q704-M721 HydrophobicContact CG-CB 4.4Å; Q704-M721 HydrophobicContact CG-CG 3.5Å; Q704-M721 VanDerWaalsContact CG-CG 3.5Å; Q704-M721 HydrophobicContact CG-SD 3.66Å; Q704-M721 VanDerWaalsContact NE2-CG 3.34Å; Q704-E725 HydrophobicContact CB-CG 3.96Å; Q704-E725 VanDerWaalsContact CD-CG 3.46Å; Q704-E725 HydrophobicContact CG-CB 4.37Å; Q704-E725 HydrophobicContact CG-CG 3.48Å; Q704-E725 VanDerWaalsContact CG-CG 3.48Å; Q704-E725 PolarHBondContact NE2-OE1 3.45Å |
| 705 | A | 94 | Very high | 93.5 | Very high | 29 Ų | 29 | 77.4 Ų | 77.4 | 24% | 0.24 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -60.1 | -49.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | L701 L702 Q707 A708 D709 I722 | L701-A705 PolarHBondContact O-N 3.32Å; L702-A705 PolarHBondContact O-N 3.29Å; A705-Q707 PolarHBondContact O-N 3.22Å; A705-A708 WeakPolarHBondContact O-CB 2.81Å; A705-A708 PolarHBondContact O-N 3.48Å; A705-D709 PolarHBondContact O-N 3.39Å; A705-I722 HydrophobicContact CB-CD1 3.72Å; A705-I722 HydrophobicContact CB-CG1 4.16Å |
| 706 | E | 94.8 | Very high | 93.5 | Very high | 102 Ų | 102 | 75.6 Ų | 75.6 | 48% | 0.477 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -60.4 | -34.9 | 177.7 | -159.9 | -149.9 | -166.4 | 0 | 0 | 112 | L702 K710 | L702-E706 PolarHBondContact O-N 3.16Å; E706-K710 HydrophobicContact CG-CD 4.33Å; E706-K710 VanDerWaalsContact O-CB 3.31Å; E706-K710 WeakPolarHBondContact O-CB 3.47Å; E706-K710 VanDerWaalsContact O-CG 3.23Å; E706-K710 WeakPolarHBondContact O-CG 3.49Å; E706-K710 PolarHBondContact O-N 2.8Å; E706-K710 WeakPolarHBondContact OE1-CE 3.36Å; E706-K710 IonicContact OE1-NZ 2.67Å; E706-K710 PolarHBondContact OE1-NZ 2.85Å; E706-K710 IonicContact OE2-NZ 2.69Å; E706-K710 PolarHBondContact OE2-NZ 3.46Å |
| 707 | Q | 92.3 | Very high | 93.6 | Very high | 76 Ų | 76 | 74.2 Ų | 74.2 | 36% | 0.355 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -69.5 | -31.7 | 172.1 | -84.7 | -173.9 | 79.5 | 0 | 0 | 114.1 | A703 Q704 A705 K711 | A703-Q707 WeakPolarHBondContact O-CB 3.41Å; A703-Q707 WeakPolarHBondContact O-CG 3.44Å; A703-Q707 PolarHBondContact O-N 2.99Å; A703-Q707 PolarHBondContact O-NE2 2.99Å; Q704-Q707 PolarHBondContact O-N 3.18Å; A705-Q707 PolarHBondContact O-N 3.22Å; Q707-K711 VanDerWaalsContact O-CB 3.3Å; Q707-K711 WeakPolarHBondContact O-CB 3.46Å; Q707-K711 WeakPolarHBondContact O-CD 3.21Å; Q707-K711 WeakPolarHBondContact O-CG 3.43Å; Q707-K711 PolarHBondContact O-N 3.49Å |
| 708 | A | 93.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 73.5 Ų | 73.5 | 0% | 0 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -69.9 | -42.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q704 A705 K711 G712 K713 A718 M721 | Q704-A708 PolarHBondContact O-N 2.9Å; A705-A708 WeakPolarHBondContact O-CB 2.81Å; A705-A708 PolarHBondContact O-N 3.48Å; A708-K711 CarbonylContact O-C 3.6Å; A708-K711 PolarHBondContact O-N 3.16Å; A708-G712 PolarHBondContact O-N 2.79Å; A708-K713 HydrophobicContact CB-CB 4.43Å; A708-K713 PolarHBondContact O-N 2.82Å; A708-A718 HydrophobicContact CB-CB 3.56Å; A708-M721 HydrophobicContact CB-SD 4.16Å |
| 709 | D | 91.9 | Very high | 93.4 | Very high | 120 Ų | 120 | 74.6 Ų | 74.6 | 64% | 0.642 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -64.4 | -48.3 | 175.3 | -68.4 | -18.8 | 0 | 0 | 0 | 111.5 | A705 K711 G712 | A705-D709 PolarHBondContact O-N 3.39Å; D709-K711 PolarHBondContact O-N 2.88Å; D709-K711 VanDerWaalsContact O-N 3.14Å; D709-G712 PolarHBondContact O-N 2.68Å |
| 710 | K | 93.4 | Very high | 93.3 | Very high | 145 Ų | 145 | 76.7 Ų | 76.7 | 63% | 0.63 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -59.3 | -23.9 | 174.2 | -76.2 | 170.7 | 179.8 | 171.2 | 0 | 113.7 | E706 | E706-K710 HydrophobicContact CG-CD 4.33Å; E706-K710 VanDerWaalsContact O-CB 3.31Å; E706-K710 WeakPolarHBondContact O-CB 3.47Å; E706-K710 VanDerWaalsContact O-CG 3.23Å; E706-K710 WeakPolarHBondContact O-CG 3.49Å; E706-K710 PolarHBondContact O-N 2.8Å; E706-K710 WeakPolarHBondContact OE1-CE 3.36Å; E706-K710 IonicContact OE1-NZ 2.67Å; E706-K710 PolarHBondContact OE1-NZ 2.85Å; E706-K710 IonicContact OE2-NZ 2.69Å; E706-K710 PolarHBondContact OE2-NZ 3.46Å |
| 711 | K | 91.4 | Very high | 93.3 | Very high | 117 Ų | 117 | 74.8 Ų | 74.8 | 51% | 0.509 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | 8.9 | 176.1 | -66.9 | 166.3 | -162 | 166.3 | 0 | 112.6 | Q707 A708 D709 K713 | Q707-K711 VanDerWaalsContact O-CB 3.3Å; Q707-K711 WeakPolarHBondContact O-CB 3.46Å; Q707-K711 WeakPolarHBondContact O-CD 3.21Å; Q707-K711 WeakPolarHBondContact O-CG 3.43Å; Q707-K711 PolarHBondContact O-N 3.49Å; A708-K711 CarbonylContact O-C 3.6Å; A708-K711 PolarHBondContact O-N 3.16Å; D709-K711 PolarHBondContact O-N 2.88Å; D709-K711 VanDerWaalsContact O-N 3.14Å; K711-K713 HydrophobicContact CB-CG 4.16Å; K711-K713 PolarHBondContact O-N 3.18Å |
| 712 | G | 90.9 | Very high | 93.2 | Very high | 70 Ų | 70 | 75.5 Ų | 75.5 | 72% | 0.722 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.1 | 27.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | A708 D709 | A708-G712 PolarHBondContact O-N 2.79Å; D709-G712 PolarHBondContact O-N 2.68Å |
| 713 | K | 92.2 | Very high | 93.2 | Very high | 95 Ų | 95 | 75.5 Ų | 75.5 | 41% | 0.413 | 40% | 0.403 | S | S | . | . | trans | -72.6 | 145.4 | -173.7 | -69.1 | -160.1 | 172.3 | -159 | 0 | 111.6 | A708 K711 A717 M721 | A708-K713 HydrophobicContact CB-CB 4.43Å; A708-K713 PolarHBondContact O-N 2.82Å; K711-K713 HydrophobicContact CB-CG 4.16Å; K711-K713 PolarHBondContact O-N 3.18Å; K713-A717 HydrophobicContact CB-CB 4.33Å; K713-A717 HydrophobicContact CD-CB 4.42Å; K713-M721 HydrophobicContact CD-CE 3.62Å; K713-M721 VanDerWaalsContact CE-CE 3.45Å | ||
| 714 | S | 94.7 | Very high | 93.2 | Very high | 81 Ų | 81 | 78.4 Ų | 78.4 | 57% | 0.566 | 41% | 0.408 | S | S | * | . | trans | -62.9 | 150.2 | 170.1 | 63.3 | 0 | 0 | 0 | 0 | 110.8 | A716 A717 A718 | S714-A716 VanDerWaalsContact C-N 3.31Å; S714-A716 PolarHBondContact O-N 3.38Å; S714-A717 CarbonylContact O-C 3.59Å; S714-A717 WeakPolarHBondContact O-CA 3.36Å; S714-A717 WeakPolarHBondContact O-CB 3.39Å; S714-A717 PolarHBondContact O-N 3.42Å; S714-A718 PolarHBondContact O-N 3.18Å | ||
| 715 | K | 91.1 | Very high | 93.2 | Very high | 158 Ų | 158 | 79 Ų | 79 | 69% | 0.687 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -49.7 | -47.9 | -176.5 | 178.6 | 171.6 | 170.9 | 175.4 | 0 | 113.1 | A717 A718 E719 | K715-A717 PolarHBondContact O-N 2.91Å; K715-A717 VanDerWaalsContact O-N 3.13Å; K715-A718 WeakPolarHBondContact O-CB 3.41Å; K715-A718 PolarHBondContact O-N 3.48Å; K715-A718 VanDerWaalsContact O-N 3.09Å; K715-E719 WeakPolarHBondContact CE-OE1 3.4Å; K715-E719 HydrophobicContact CG-CG 4.34Å; K715-E719 WeakPolarHBondContact CG-OE1 3.35Å; K715-E719 IonicContact NZ-OE1 3.68Å; K715-E719 WeakPolarHBondContact O-CG 3.45Å; K715-E719 PolarHBondContact O-N 3.43Å |
| 716 | A | 92.4 | Very high | 93.3 | Very high | 54 Ų | 54 | 81.8 Ų | 81.8 | 45% | 0.446 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -69.9 | -4.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115 | S714 R720 | S714-A716 VanDerWaalsContact C-N 3.31Å; S714-A716 PolarHBondContact O-N 3.38Å; A716-R720 PolarHBondContact O-NE 2.94Å; A716-R720 PolarHBondContact O-NH2 2.96Å; A716-R720 VanDerWaalsContact O-NH2 3.11Å |
| 717 | A | 91.6 | Very high | 93.4 | Very high | 24 Ų | 24 | 78.7 Ų | 78.7 | 20% | 0.198 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -104 | -26.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | K713 S714 K715 M721 | K713-A717 HydrophobicContact CB-CB 4.33Å; K713-A717 HydrophobicContact CD-CB 4.42Å; S714-A717 CarbonylContact O-C 3.59Å; S714-A717 WeakPolarHBondContact O-CA 3.36Å; S714-A717 WeakPolarHBondContact O-CB 3.39Å; S714-A717 PolarHBondContact O-N 3.42Å; K715-A717 PolarHBondContact O-N 2.91Å; K715-A717 VanDerWaalsContact O-N 3.13Å; A717-M721 WeakPolarHBondContact O-CB 3.42Å; A717-M721 PolarHBondContact O-N 3.34Å |
| 718 | A | 92.3 | Very high | 93.5 | Very high | 11 Ų | 11 | 82.4 Ų | 82.4 | 9% | 0.091 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -68.3 | -48 | 167.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | A708 S714 K715 R720 M721 I722 | A708-A718 HydrophobicContact CB-CB 3.56Å; S714-A718 PolarHBondContact O-N 3.18Å; K715-A718 WeakPolarHBondContact O-CB 3.41Å; K715-A718 PolarHBondContact O-N 3.48Å; K715-A718 VanDerWaalsContact O-N 3.09Å; A718-R720 VanDerWaalsContact C-N 3.34Å; A718-R720 PolarHBondContact O-N 3.47Å; A718-M721 WeakPolarHBondContact O-CB 3.3Å; A718-M721 PolarHBondContact O-N 2.98Å; A718-M721 VanDerWaalsContact O-N 3.08Å; A718-I722 WeakPolarHBondContact O-CG1 3.23Å; A718-I722 PolarHBondContact O-N 3.33Å |
| 719 | E | 94 | Very high | 93.5 | Very high | 89 Ų | 89 | 83.3 Ų | 83.3 | 42% | 0.416 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -56.5 | -44.9 | 177.7 | -72.5 | 166.8 | 163 | 0 | 0 | 112.1 | K715 I722 L723 | K715-E719 WeakPolarHBondContact CE-OE1 3.4Å; K715-E719 HydrophobicContact CG-CG 4.34Å; K715-E719 WeakPolarHBondContact CG-OE1 3.35Å; K715-E719 IonicContact NZ-OE1 3.68Å; K715-E719 WeakPolarHBondContact O-CG 3.45Å; K715-E719 PolarHBondContact O-N 3.43Å; E719-I722 PolarHBondContact O-N 3.1Å; E719-L723 VanDerWaalsContact O-CG 3.31Å; E719-L723 WeakPolarHBondContact O-CG 3.37Å; E719-L723 PolarHBondContact O-N 3.41Å |
| 720 | R | 93.1 | Very high | 93.5 | Very high | 151 Ų | 151 | 81.4 Ų | 81.4 | 57% | 0.57 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -60.6 | -45.6 | 173.3 | -89.6 | -179.4 | -75.7 | 167.7 | -7 | 112.6 | A716 A718 I722 L723 E724 | A716-R720 PolarHBondContact O-NE 2.94Å; A716-R720 PolarHBondContact O-NH2 2.96Å; A716-R720 VanDerWaalsContact O-NH2 3.11Å; A718-R720 VanDerWaalsContact C-N 3.34Å; A718-R720 PolarHBondContact O-N 3.47Å; R720-I722 VanDerWaalsContact C-N 3.3Å; R720-I722 PolarHBondContact O-N 2.81Å; R720-L723 PolarHBondContact O-N 2.9Å; R720-E724 WeakPolarHBondContact O-CB 3.3Å; R720-E724 WeakPolarHBondContact O-CG 3.31Å; R720-E724 PolarHBondContact O-N 2.91Å |
| 721 | M | 93.2 | Very high | 93.3 | Very high | 20 Ų | 20 | 79.7 Ų | 79.7 | 10% | 0.099 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -62.3 | -37.2 | 179.7 | -168 | -168.9 | -78.1 | 0 | 0 | 112.3 | Q704 A708 K713 A717 A718 E725 | Q704-M721 VanDerWaalsContact CD-SD 3.53Å; Q704-M721 HydrophobicContact CG-CB 4.4Å; Q704-M721 HydrophobicContact CG-CG 3.5Å; Q704-M721 VanDerWaalsContact CG-CG 3.5Å; Q704-M721 HydrophobicContact CG-SD 3.66Å; Q704-M721 VanDerWaalsContact NE2-CG 3.34Å; A708-M721 HydrophobicContact CB-SD 4.16Å; K713-M721 HydrophobicContact CD-CE 3.62Å; K713-M721 VanDerWaalsContact CE-CE 3.45Å; A717-M721 WeakPolarHBondContact O-CB 3.42Å; A717-M721 PolarHBondContact O-N 3.34Å; A718-M721 WeakPolarHBondContact O-CB 3.3Å; A718-M721 PolarHBondContact O-N 2.98Å; A718-M721 VanDerWaalsContact O-N 3.08Å; M721-E725 PolarHBondContact O-N 3.35Å |
| 722 | I | 95.8 | Very high | 93 | Very high | 50 Ų | 50 | 77.6 Ų | 77.6 | 26% | 0.256 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -69.7 | -42.1 | 176.2 | -63.7 | 161.4 | 0 | 0 | 0 | 110.7 | L701 A705 A718 E719 R720 E725 F726 | L701-I722 HydrophobicContact CB-CG2 4.24Å; L701-I722 HydrophobicContact CD2-CG2 4.06Å; L701-I722 WeakPolarHBondContact CD2-O 3.49Å; A705-I722 HydrophobicContact CB-CD1 3.72Å; A705-I722 HydrophobicContact CB-CG1 4.16Å; A718-I722 WeakPolarHBondContact O-CG1 3.23Å; A718-I722 PolarHBondContact O-N 3.33Å; E719-I722 PolarHBondContact O-N 3.1Å; R720-I722 VanDerWaalsContact C-N 3.3Å; R720-I722 PolarHBondContact O-N 2.81Å; I722-E725 PolarHBondContact O-N 3.36Å; I722-F726 PolarHBondContact O-N 2.87Å |
| 723 | L | 95.4 | Very high | 92.9 | Very high | 118 Ų | 118 | 75.9 Ų | 75.9 | 62% | 0.618 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -66.1 | -36.3 | 176.4 | -71 | 169.1 | 0 | 0 | 0 | 112.7 | E719 R720 F726 G727 | E719-L723 VanDerWaalsContact O-CG 3.31Å; E719-L723 WeakPolarHBondContact O-CG 3.37Å; E719-L723 PolarHBondContact O-N 3.41Å; R720-L723 PolarHBondContact O-N 2.9Å; L723-F726 PolarHBondContact O-N 3.45Å; L723-G727 PolarHBondContact O-N 2.9Å |
| 724 | E | 94.8 | Very high | 92.7 | Very high | 110 Ų | 110 | 76.3 Ų | 76.3 | 51% | 0.514 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -61 | -47.1 | 173.2 | -76.9 | 169.2 | -145.5 | 0 | 0 | 111.5 | R720 G727 R728 | R720-E724 WeakPolarHBondContact O-CB 3.3Å; R720-E724 WeakPolarHBondContact O-CG 3.31Å; R720-E724 PolarHBondContact O-N 2.91Å; E724-G727 PolarHBondContact O-N 3.05Å; E724-R728 WeakPolarHBondContact O-CG 3.31Å; E724-R728 PolarHBondContact O-N 3.3Å |
| 725 | E | 95.7 | Very high | 92.2 | Very high | 40 Ų | 40 | 76.6 Ų | 76.6 | 19% | 0.187 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -68 | -35 | 175.7 | -65.8 | -52.2 | 124 | 0 | 0 | 112.9 | L701 Q704 M721 I722 G727 R728 C729 | L701-E725 HydrophobicContact CD2-CB 4.27Å; Q704-E725 HydrophobicContact CB-CG 3.96Å; Q704-E725 VanDerWaalsContact CD-CG 3.46Å; Q704-E725 HydrophobicContact CG-CB 4.37Å; Q704-E725 HydrophobicContact CG-CG 3.48Å; Q704-E725 VanDerWaalsContact CG-CG 3.48Å; Q704-E725 PolarHBondContact NE2-OE1 3.45Å; M721-E725 PolarHBondContact O-N 3.35Å; I722-E725 PolarHBondContact O-N 3.36Å; E725-G727 VanDerWaalsContact C-N 3.28Å; E725-G727 PolarHBondContact O-N 3.3Å; E725-R728 PolarHBondContact O-N 3.06Å; E725-R728 VanDerWaalsContact O-N 3.12Å; E725-R728 WeakPolarHBondContact OE1-CD 3.31Å; E725-R728 IonicContact OE1-CZ 3.45Å; E725-R728 IonicContact OE1-NE 3.71Å; E725-R728 PolarHBondContact OE1-NE 3.28Å; E725-R728 IonicContact OE1-NH2 3.89Å; E725-R728 WeakPolarHBondContact OE2-CD 3.35Å; E725-R728 IonicContact OE2-NE 3.43Å; E725-C729 PolarHBondContact O-N 3.42Å; E725-C729 PolarHBondContact O-SG 2.79Å; E725-C729 VanDerWaalsContact O-SG 3.41Å |
| 726 | F | 96.4 | Very high | 91.7 | Very high | 86 Ų | 86 | 72.2 Ų | 72.2 | 38% | 0.377 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -59.2 | -42.3 | 172.1 | -173.2 | -123.2 | 0 | 0 | 0 | 111.2 | T697 L701 I722 L723 C729 L730 | T697-F726 HydrophobicContact CG2-CD2 4.17Å; T697-F726 HydrophobicContact CG2-CE2 4.32Å; L701-F726 HydrophobicContact CD1-CD2 4.06Å; L701-F726 HydrophobicContact CD2-CB 3.77Å; L701-F726 HydrophobicContact CD2-CD2 4.45Å; I722-F726 PolarHBondContact O-N 2.87Å; L723-F726 PolarHBondContact O-N 3.45Å; F726-C729 PolarHBondContact O-N 3.16Å; F726-L730 HydrophobicContact CD1-CD1 3.98Å; F726-L730 HydrophobicContact CE1-CD1 3.61Å; F726-L730 HydrophobicContact CE1-CG 4.35Å; F726-L730 HydrophobicContact CE2-CD1 4.37Å; F726-L730 HydrophobicContact CE2-CD2 4.4Å; F726-L730 HydrophobicContact CE2-CG 4.24Å; F726-L730 HydrophobicContact CZ-CD1 3.82Å; F726-L730 HydrophobicContact CZ-CD2 4.26Å; F726-L730 HydrophobicContact CZ-CG 4.15Å; F726-L730 WeakPolarHBondContact O-CB 3.25Å; F726-L730 WeakPolarHBondContact O-CG 3.42Å; F726-L730 PolarHBondContact O-N 2.96Å |
| 727 | G | 95.5 | Very high | 91.1 | Very high | 37 Ų | 37 | 70.7 Ų | 70.7 | 38% | 0.381 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -59.3 | -43.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | L723 E724 E725 M731 | L723-G727 PolarHBondContact O-N 2.9Å; E724-G727 PolarHBondContact O-N 3.05Å; E725-G727 VanDerWaalsContact C-N 3.28Å; E725-G727 PolarHBondContact O-N 3.3Å; G727-M731 WeakPolarHBondContact O-CB 3.01Å; G727-M731 PolarHBondContact O-N 3.13Å |
| 728 | R | 94 | Very high | 90.1 | Very high | 155 Ų | 155 | 71.5 Ų | 71.5 | 59% | 0.585 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -62.6 | -45.6 | 175.2 | -64.3 | -173 | -156.9 | -90.5 | -6.2 | 112.3 | E724 E725 M731 S732 | E724-R728 WeakPolarHBondContact O-CG 3.31Å; E724-R728 PolarHBondContact O-N 3.3Å; E725-R728 PolarHBondContact O-N 3.06Å; E725-R728 VanDerWaalsContact O-N 3.12Å; E725-R728 WeakPolarHBondContact OE1-CD 3.31Å; E725-R728 IonicContact OE1-CZ 3.45Å; E725-R728 IonicContact OE1-NE 3.71Å; E725-R728 PolarHBondContact OE1-NE 3.28Å; E725-R728 IonicContact OE1-NH2 3.89Å; E725-R728 WeakPolarHBondContact OE2-CD 3.35Å; E725-R728 IonicContact OE2-NE 3.43Å; R728-M731 PolarHBondContact O-N 2.87Å; R728-S732 WeakPolarHBondContact O-CB 3.33Å; R728-S732 PolarHBondContact O-N 2.74Å |
| 729 | C | 93.6 | Very high | 89 | Confident | 18 Ų | 18 | 77.9 Ų | 77.9 | 12% | 0.122 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -60 | -49.2 | 177.4 | -72.3 | 0 | 0 | 0 | 0 | 111.2 | T697 E725 F726 M731 S732 V733 | T697-C729 HydrophobicContact CG2-CB 3.76Å; E725-C729 PolarHBondContact O-N 3.42Å; E725-C729 PolarHBondContact O-SG 2.79Å; E725-C729 VanDerWaalsContact O-SG 3.41Å; F726-C729 PolarHBondContact O-N 3.16Å; C729-M731 PolarHBondContact O-N 2.87Å; C729-S732 WeakPolarHBondContact O-CB 3.26Å; C729-S732 PolarHBondContact O-N 3.36Å; C729-V733 WeakPolarHBondContact O-CG2 3.48Å; C729-V733 PolarHBondContact O-N 2.68Å |
| 730 | L | 92.1 | Very high | 87.4 | Confident | 81 Ų | 81 | 76.7 Ų | 76.7 | 42% | 0.424 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -58.6 | -46 | 176.2 | -72.7 | 176.6 | 0 | 0 | 0 | 112 | F726 S732 V733 I734 | F726-L730 HydrophobicContact CD1-CD1 3.98Å; F726-L730 HydrophobicContact CE1-CD1 3.61Å; F726-L730 HydrophobicContact CE1-CG 4.35Å; F726-L730 HydrophobicContact CE2-CD1 4.37Å; F726-L730 HydrophobicContact CE2-CD2 4.4Å; F726-L730 HydrophobicContact CE2-CG 4.24Å; F726-L730 HydrophobicContact CZ-CD1 3.82Å; F726-L730 HydrophobicContact CZ-CD2 4.26Å; F726-L730 HydrophobicContact CZ-CG 4.15Å; F726-L730 WeakPolarHBondContact O-CB 3.25Å; F726-L730 WeakPolarHBondContact O-CG 3.42Å; F726-L730 PolarHBondContact O-N 2.96Å; L730-S732 VanDerWaalsContact C-N 3.29Å; L730-S732 PolarHBondContact O-N 3.15Å; L730-V733 PolarHBondContact O-N 3.3Å; L730-I734 VanDerWaalsContact O-CG1 3.28Å; L730-I734 WeakPolarHBondContact O-CG1 3.49Å; L730-I734 PolarHBondContact O-N 3.02Å |
| 731 | M | 89 | Confident | 85.6 | Confident | 109 Ų | 109 | 77.4 Ų | 77.4 | 54% | 0.537 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -63.7 | -35.4 | 178.2 | -162.6 | 67.3 | -175.5 | 0 | 0 | 112.1 | G727 R728 C729 I734 N735 | G727-M731 WeakPolarHBondContact O-CB 3.01Å; G727-M731 PolarHBondContact O-N 3.13Å; R728-M731 PolarHBondContact O-N 2.87Å; C729-M731 PolarHBondContact O-N 2.87Å; M731-I734 PolarHBondContact O-N 3.27Å; M731-N735 VanDerWaalsContact O-CB 3.3Å; M731-N735 WeakPolarHBondContact O-CB 3.26Å; M731-N735 PolarHBondContact O-N 2.93Å; M731-N735 PolarHBondContact O-ND2 2.97Å |
| 732 | S | 86.4 | Confident | 83.8 | Confident | 73 Ų | 73 | 80.1 Ų | 80.1 | 51% | 0.51 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -65.6 | -42.8 | 174.6 | -166.4 | 0 | 0 | 0 | 0 | 112 | R728 C729 L730 N735 S736 | R728-S732 WeakPolarHBondContact O-CB 3.33Å; R728-S732 PolarHBondContact O-N 2.74Å; C729-S732 WeakPolarHBondContact O-CB 3.26Å; C729-S732 PolarHBondContact O-N 3.36Å; L730-S732 VanDerWaalsContact C-N 3.29Å; L730-S732 PolarHBondContact O-N 3.15Å; S732-N735 PolarHBondContact O-N 3.4Å; S732-S736 WeakPolarHBondContact O-CB 3.38Å; S732-S736 PolarHBondContact O-N 2.97Å; S732-S736 PolarHBondContact O-OG 3.16Å |
| 733 | V | 88.6 | Confident | 81.3 | Confident | 33 Ų | 33 | 83.9 Ų | 83.9 | 20% | 0.2 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -63.8 | -45 | 175.2 | 173.4 | 0 | 0 | 0 | 0 | 111.1 | V689 V693 C729 L730 S736 A737 | V689-V733 HydrophobicContact CG2-CG1 4.4Å; V693-V733 HydrophobicContact CG1-CG2 3.6Å; C729-V733 WeakPolarHBondContact O-CG2 3.48Å; C729-V733 PolarHBondContact O-N 2.68Å; L730-V733 PolarHBondContact O-N 3.3Å; V733-S736 PolarHBondContact O-N 2.84Å; V733-A737 WeakPolarHBondContact O-CB 3.32Å; V733-A737 PolarHBondContact O-N 3.36Å |
| 734 | I | 86.6 | Confident | 79.1 | Confident | 104 Ų | 104 | 84.1 Ų | 84.1 | 53% | 0.533 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -60.7 | -47.8 | 176.4 | -68.6 | 163.5 | 0 | 0 | 0 | 110.9 | L730 M731 S736 A737 G738 | L730-I734 VanDerWaalsContact O-CG1 3.28Å; L730-I734 WeakPolarHBondContact O-CG1 3.49Å; L730-I734 PolarHBondContact O-N 3.02Å; M731-I734 PolarHBondContact O-N 3.27Å; I734-S736 VanDerWaalsContact C-N 3.3Å; I734-S736 PolarHBondContact O-N 3.46Å; I734-A737 PolarHBondContact O-N 3.34Å; I734-G738 PolarHBondContact O-N 3.44Å |
| 735 | N | 84.5 | Confident | 76.4 | Confident | 87 Ų | 87 | 84.9 Ų | 84.9 | 47% | 0.465 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.5 | -36.7 | 178 | -74 | -23.8 | 0 | 0 | 0 | 112.4 | M731 S732 G738 K739 | M731-N735 VanDerWaalsContact O-CB 3.3Å; M731-N735 WeakPolarHBondContact O-CB 3.26Å; M731-N735 PolarHBondContact O-N 2.93Å; M731-N735 PolarHBondContact O-ND2 2.97Å; S732-N735 PolarHBondContact O-N 3.4Å; N735-G738 PolarHBondContact O-N 3.3Å; N735-K739 WeakPolarHBondContact O-CG 3.23Å; N735-K739 PolarHBondContact O-N 3.08Å |
| 736 | S | 81.8 | Confident | 74 | Confident | 66 Ų | 66 | 87 Ų | 87 | 46% | 0.462 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -69.7 | -42.1 | 177.5 | -57 | 0 | 0 | 0 | 0 | 111.7 | S732 V733 I734 G738 K739 A740 | S732-S736 WeakPolarHBondContact O-CB 3.38Å; S732-S736 PolarHBondContact O-N 2.97Å; S732-S736 PolarHBondContact O-OG 3.16Å; V733-S736 PolarHBondContact O-N 2.84Å; I734-S736 VanDerWaalsContact C-N 3.3Å; I734-S736 PolarHBondContact O-N 3.46Å; S736-G738 VanDerWaalsContact C-N 3.28Å; S736-G738 PolarHBondContact O-N 3.32Å; S736-K739 PolarHBondContact O-N 3.5Å; S736-A740 PolarHBondContact O-N 3.29Å; S736-A740 VanDerWaalsContact O-N 3.14Å |
| 737 | A | 78.2 | Confident | 71.3 | Confident | 22 Ų | 22 | 91.1 Ų | 91.1 | 18% | 0.182 | 53% | 0.53 | C | S | . | . | H | α-helix | trans | -66.7 | -27.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | F688 V733 I734 | F688-A737 HydrophobicContact CB-CB 4.18Å; F688-A737 HydrophobicContact CD1-CB 3.84Å; F688-A737 HydrophobicContact CD2-CB 3.84Å; F688-A737 HydrophobicContact CE1-CB 4.2Å; F688-A737 HydrophobicContact CE2-CB 4.19Å; F688-A737 HydrophobicContact CG-CB 3.66Å; F688-A737 HydrophobicContact CZ-CB 4.36Å; V733-A737 WeakPolarHBondContact O-CB 3.32Å; V733-A737 PolarHBondContact O-N 3.36Å; I734-A737 PolarHBondContact O-N 3.34Å |
| 738 | G | 72.2 | Confident | 68.5 | Low | 41 Ų | 41 | 96.5 Ų | 96.5 | 42% | 0.423 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -70.2 | -52 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | I734 N735 S736 A740 K741 | I734-G738 PolarHBondContact O-N 3.44Å; N735-G738 PolarHBondContact O-N 3.3Å; S736-G738 VanDerWaalsContact C-N 3.28Å; S736-G738 PolarHBondContact O-N 3.32Å; G738-A740 VanDerWaalsContact C-N 3.29Å; G738-A740 PolarHBondContact O-N 3.06Å; G738-K741 WeakPolarHBondContact O-CB 3.42Å; G738-K741 PolarHBondContact O-N 3.01Å |
| 739 | K | 69.1 | Low | 65.7 | Low | 145 Ų | 145 | 99.2 Ų | 99.2 | 63% | 0.63 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -59.6 | -37.4 | 179.3 | -74.2 | -173.9 | 175.2 | -168.9 | 0 | 113.1 | N735 S736 K741 S742 | N735-K739 WeakPolarHBondContact O-CG 3.23Å; N735-K739 PolarHBondContact O-N 3.08Å; S736-K739 PolarHBondContact O-N 3.5Å; K739-K741 PolarHBondContact O-N 3.17Å; K739-S742 PolarHBondContact O-N 3.1Å; K739-S742 PolarHBondContact O-OG 3.45Å |
| 740 | A | 59.3 | Low | 64.3 | Low | 64 Ų | 64 | 103.3 Ų | 103.3 | 53% | 0.529 | 61% | 0.614 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -64.1 | -1.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115 | F688 S736 G738 | F688-A740 HydrophobicContact CE1-CB 3.58Å; F688-A740 HydrophobicContact CZ-CB 3.54Å; S736-A740 PolarHBondContact O-N 3.29Å; S736-A740 VanDerWaalsContact O-N 3.14Å; G738-A740 VanDerWaalsContact C-N 3.29Å; G738-A740 PolarHBondContact O-N 3.06Å |
| 741 | K | 56.7 | Low | 62.8 | Low | 167 Ų | 167 | 104.5 Ų | 104.5 | 73% | 0.726 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.9 | -7.2 | 169.6 | -63.1 | -177.2 | 177.9 | -177.4 | 0 | 114.1 | G738 K739 | G738-K741 WeakPolarHBondContact O-CB 3.42Å; G738-K741 PolarHBondContact O-N 3.01Å; K739-K741 PolarHBondContact O-N 3.17Å |
| 742 | S | 53.7 | Low | 61.4 | Low | 76 Ų | 76 | 104.2 Ų | 104.2 | 53% | 0.531 | 63% | 0.629 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -108.3 | -3.7 | -172.4 | 60 | 0 | 0 | 0 | 0 | 115.5 | K739 P744 | K739-S742 PolarHBondContact O-N 3.1Å; K739-S742 PolarHBondContact O-OG 3.45Å; S742-P744 VanDerWaalsContact C-CD 3.48Å; S742-P744 WeakPolarHBondContact O-CD 3.22Å |
| 743 | D | 43.5 | Very low | 59.9 | Low | 129 Ų | 129 | 106.1 Ų | 106.1 | 69% | 0.69 | 64% | 0.636 | S | S | * | * | trans | -103.9 | 87.8 | -178.8 | -71.9 | -43.5 | 0 | 0 | 0 | 112.9 | C745 | D743-C745 PolarHBondContact O-N 3.09Š| ||
| 744 | P | 50 | Low | 58.1 | Low | 124 Ų | 124 | 110.6 Ų | 110.6 | 81% | 0.805 | 66% | 0.663 | S | S | * | * | trans | -77.6 | 71.7 | 162.9 | 34.3 | -34.3 | 0 | 0 | 0 | 109.5 | S742 A746 | S742-P744 VanDerWaalsContact C-CD 3.48Å; S742-P744 WeakPolarHBondContact O-CD 3.22Å; P744-A746 PolarHBondContact O-N 3.47Å | ||
| 745 | C | 38.7 | Very low | 56.2 | Low | 125 Ų | 125 | 111.1 Ų | 111.1 | 85% | 0.845 | 67% | 0.672 | S | S | * | * | trans | -72.4 | 115.7 | -176.8 | -162.2 | 0 | 0 | 0 | 0 | 111.2 | D743 | D743-C745 PolarHBondContact O-N 3.09Š| ||
| 746 | A | 45.2 | Very low | 54.2 | Low | 84 Ų | 84 | 112.8 Ų | 112.8 | 69% | 0.694 | 69% | 0.686 | S | S | * | * | trans | -106.2 | 113.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112 | P744 | P744-A746 PolarHBondContact O-N 3.47Š| ||
| 747 | M | 38.3 | Very low | 52 | Low | 173 Ų | 173 | 116.4 Ų | 116.4 | 85% | 0.852 | 70% | 0.704 | S | S | * | * | trans | -148.8 | 138.9 | 147.8 | -76.9 | -55.1 | 165.8 | 0 | 0 | 106.2 | ||||
| 748 | N | 37.4 | Very low | 49.9 | Very low | 151 Ų | 151 | 124.3 Ų | 124.3 | 81% | 0.807 | 75% | 0.747 | S | S | * | * | cis | 60.2 | 68.2 | 43 | -80.6 | -5.5 | 0 | 0 | 0 | 114.4 | ||||
| 749 | C | 34.3 | Very low | 47.8 | Very low | 212 Ų | 212 | 131.8 Ų | 131.8 | 100% | 1.432 | 78% | 0.777 | S | S | * | * | -162 | 0 | 122.1 | -107.6 | 0 | 0 | 0 | 0 | 110.3 |
Retrieved 749 of 749 residues in 1675.4 ms
(Link to these results)