| 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 | 37.5 | Very low | 35 | Very low | 246 Ų | 246 | 170.5 Ų | 170.5 | 100% | 1.212 | 87% | 0.866 | S | S | * | * | 0 | 132 | 0 | -87.3 | 176 | 149.5 | 0 | 0 | 108.4 | |||||
| 2 | T | 33.1 | Very low | 34.6 | Very low | 140 Ų | 140 | 162.8 Ų | 162.8 | 86% | 0.859 | 86% | 0.861 | S | S | * | * | P | Polyproline II helix | trans | -88.6 | 133.5 | -167.9 | -38.9 | 0 | 0 | 0 | 0 | 111.5 | ||
| 3 | L | 35.2 | Very low | 34.1 | Very low | 173 Ų | 173 | 166.3 Ų | 166.3 | 91% | 0.906 | 87% | 0.865 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 120.4 | 171.5 | -68.1 | 173.8 | 0 | 0 | 0 | 109.8 | ||
| 4 | R | 35.8 | Very low | 34.3 | Very low | 231 Ų | 231 | 169.4 Ų | 169.4 | 87% | 0.872 | 87% | 0.868 | S | S | * | * | P | Polyproline II helix | trans | -86.9 | 119.2 | 173.2 | -90.1 | -178.3 | 165.6 | 177.5 | -5.1 | 110 | ||
| 5 | S | 31.7 | Very low | 34.1 | Very low | 125 Ų | 125 | 174.1 Ų | 174.1 | 87% | 0.874 | 87% | 0.871 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 141.3 | 159.6 | -156.8 | 0 | 0 | 0 | 0 | 109.5 | ||
| 6 | K | 39 | Very low | 33.7 | Very low | 174 Ų | 174 | 176.4 Ų | 176.4 | 76% | 0.757 | 87% | 0.874 | S | S | * | * | trans | -117.4 | 124.9 | 174.5 | -80.9 | -167.8 | 175.7 | -173.9 | 0 | 109.5 | ||||
| 7 | Q | 30.7 | Very low | 33.5 | Very low | 191 Ų | 191 | 170.9 Ų | 170.9 | 89% | 0.893 | 86% | 0.863 | S | S | * | * | trans | -118.9 | 136.6 | 176.1 | -150.5 | 167.8 | 8.9 | 0 | 0 | 106.9 | ||||
| 8 | F | 32 | Very low | 33.4 | Very low | 183 Ų | 183 | 170.9 Ų | 170.9 | 80% | 0.803 | 87% | 0.866 | S | S | * | * | trans | -125.5 | 151.3 | 175 | -90.9 | -81 | 0 | 0 | 0 | 109.9 | ||||
| 9 | P | 43.5 | Very low | 33.3 | Very low | 116 Ų | 116 | 168.3 Ų | 168.3 | 75% | 0.753 | 86% | 0.859 | S | S | * | * | P | Polyproline II helix | trans | -97.7 | 159.2 | -159.8 | 37.5 | -35.2 | 0 | 0 | 0 | 115.2 | ||
| 10 | Q | 30.1 | Very low | 33.2 | Very low | 180 Ų | 180 | 169.8 Ų | 169.8 | 84% | 0.841 | 86% | 0.862 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 140.3 | 167.1 | -72.2 | -83.2 | 7.5 | 0 | 0 | 111.5 | ||
| 11 | P | 36.7 | Very low | 33.1 | Very low | 117 Ų | 117 | 168.2 Ų | 168.2 | 76% | 0.76 | 86% | 0.856 | S | S | * | * | P | Polyproline II helix | trans | -87.6 | 143.8 | 166.5 | 34.1 | -31 | 0 | 0 | 0 | 111.9 | ||
| 12 | G | 30.7 | Very low | 32.8 | Very low | 78 Ų | 78 | 167 Ų | 167 | 80% | 0.804 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -93.8 | 165.3 | -172 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 13 | F | 28.2 | Very low | 32.6 | Very low | 208 Ų | 208 | 164 Ų | 164 | 91% | 0.912 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 147.6 | 174.1 | -92.3 | -110.6 | 0 | 0 | 0 | 114.1 | ||
| 14 | K | 36.2 | Very low | 32.6 | Very low | 210 Ų | 210 | 162 Ų | 162 | 91% | 0.913 | 84% | 0.836 | S | S | * | * | trans | -136.5 | 138.6 | 148.2 | -78.1 | -161.7 | 174.2 | -174.8 | 0 | 111.1 | ||||
| 15 | R | 31.7 | Very low | 32.4 | Very low | 239 Ų | 239 | 158.9 Ų | 158.9 | 90% | 0.902 | 84% | 0.837 | S | S | * | * | trans | -96.2 | 142.5 | 168 | -73.9 | 179.4 | 173.1 | 172.8 | -3.4 | 110 | ||||
| 16 | K | 27.5 | Very low | 32.4 | Very low | 212 Ų | 212 | 158 Ų | 158 | 92% | 0.922 | 83% | 0.831 | S | S | * | * | trans | -139.3 | 146.2 | 147.2 | -91.5 | -72.1 | -173.2 | 165.8 | 0 | 106.8 | ||||
| 17 | A | 29.9 | Very low | 32.2 | Very low | 83 Ų | 83 | 156.8 Ų | 156.8 | 69% | 0.686 | 84% | 0.837 | S | S | * | * | trans | -116.8 | 155.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 18 | D | 31.2 | Very low | 32.4 | Very low | 171 Ų | 171 | 150.6 Ų | 150.6 | 91% | 0.914 | 83% | 0.825 | S | S | * | * | trans | -153 | 160.8 | 150 | -84.3 | -44.2 | 0 | 0 | 0 | 108.3 | ||||
| 19 | T | 32.1 | Very low | 32.9 | Very low | 120 Ų | 120 | 147.9 Ų | 147.9 | 74% | 0.736 | 83% | 0.825 | S | S | * | * | trans | -119.1 | 142.3 | -160.2 | -58.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 20 | E | 31.4 | Very low | 32.2 | Very low | 198 Ų | 198 | 148.6 Ų | 148.6 | 93% | 0.925 | 83% | 0.827 | S | S | * | * | trans | -151.8 | 151.5 | 141.9 | -78 | -145.5 | 148.6 | 0 | 0 | 110.9 | ||||
| 21 | D | 31.2 | Very low | 32.1 | Very low | 138 Ų | 138 | 145.6 Ų | 145.6 | 74% | 0.738 | 83% | 0.827 | S | S | * | * | trans | -87.1 | 161.2 | -174 | -79.1 | -58.1 | 0 | 0 | 0 | 113.8 | ||||
| 22 | F | 32.2 | Very low | 32 | Very low | 219 Ų | 219 | 146.8 Ų | 146.8 | 96% | 0.961 | 83% | 0.825 | S | S | * | * | 170 | 142.7 | 123.3 | -95.3 | -66 | 0 | 0 | 0 | 112.7 | |||||
| 23 | G | 28.8 | Very low | 31.9 | Very low | 77 Ų | 77 | 152.3 Ų | 152.3 | 79% | 0.794 | 83% | 0.827 | S | S | * | * | trans | 102.9 | 92 | 149.4 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 24 | V | 33.9 | Very low | 32.1 | Very low | 132 Ų | 132 | 149.9 Ų | 149.9 | 80% | 0.8 | 82% | 0.823 | S | S | * | * | trans | -85.2 | 135.3 | 169.6 | 171.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 25 | N | 32.5 | Very low | 31.9 | Very low | 166 Ų | 166 | 148.7 Ų | 148.7 | 89% | 0.888 | 82% | 0.821 | S | S | * | * | trans | -166.6 | 153.9 | 130.9 | -98.9 | -17.9 | 0 | 0 | 0 | 113.4 | ||||
| 26 | S | 31.8 | Very low | 32.2 | Very low | 106 Ų | 106 | 143.4 Ų | 143.4 | 74% | 0.741 | 82% | 0.818 | S | S | * | * | trans | -117 | 139.5 | -159.1 | 172.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 27 | V | 34.3 | Very low | 32.2 | Very low | 148 Ų | 148 | 138.8 Ų | 138.8 | 90% | 0.897 | 81% | 0.811 | S | S | * | * | trans | -145.3 | 141.2 | 142.1 | -174.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 28 | G | 35.3 | Very low | 32.2 | Very low | 61 Ų | 61 | 142.3 Ų | 142.3 | 63% | 0.629 | 82% | 0.818 | S | S | * | * | trans | -95.4 | -161.2 | -169.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 29 | P | 41.2 | Very low | 32.1 | Very low | 126 Ų | 126 | 143.1 Ų | 143.1 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | trans | -123.8 | 161.4 | -139.2 | 41.8 | -31.4 | 0 | 0 | 0 | 116.3 | ||||
| 30 | V | 29.5 | Very low | 32 | Very low | 131 Ų | 131 | 142.1 Ų | 142.1 | 79% | 0.794 | 82% | 0.818 | S | S | * | * | trans | -142.8 | 129 | 157.6 | 179.8 | 0 | 0 | 0 | 0 | 110.5 | I32 | V30-I32 HydrophobicContact CG1-CD1 4.09Å; V30-I32 HydrophobicContact CG1-CG1 3.88Å | ||
| 31 | S | 27.9 | Very low | 31.9 | Very low | 118 Ų | 118 | 140.4 Ų | 140.4 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | trans | -135.6 | 120.4 | 167 | 179.3 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 32 | I | 34 | Very low | 31.7 | Very low | 142 Ų | 142 | 140.6 Ų | 140.6 | 73% | 0.728 | 82% | 0.815 | S | S | * | * | trans | -108.9 | 132.8 | -178.7 | -65 | 174.8 | 0 | 0 | 0 | 109 | V30 | V30-I32 HydrophobicContact CG1-CD1 4.09Å; V30-I32 HydrophobicContact CG1-CG1 3.88Å | ||
| 33 | K | 29.7 | Very low | 31.7 | Very low | 194 Ų | 194 | 135.5 Ų | 135.5 | 84% | 0.843 | 80% | 0.801 | S | S | * | * | trans | -90.6 | 143.4 | 176 | -58.8 | 174.3 | 178.7 | 179.4 | 0 | 109.4 | ||||
| 34 | N | 31.2 | Very low | 31.7 | Very low | 156 Ų | 156 | 139.5 Ų | 139.5 | 83% | 0.834 | 80% | 0.799 | S | S | * | * | trans | -117.9 | 123.8 | 166.2 | -70.4 | -12.1 | 0 | 0 | 0 | 109.6 | ||||
| 35 | E | 31.9 | Very low | 31.5 | Very low | 186 Ų | 186 | 140.5 Ų | 140.5 | 87% | 0.869 | 80% | 0.8 | S | S | * | * | trans | -108.6 | 154.3 | 160.9 | -79.3 | -169.5 | 154.1 | 0 | 0 | 109.2 | ||||
| 36 | P | 37.8 | Very low | 31.4 | Very low | 128 Ų | 128 | 139.5 Ų | 139.5 | 83% | 0.831 | 80% | 0.8 | S | S | * | * | trans | -87.4 | 148.4 | 175.6 | 35.5 | -32.9 | 0 | 0 | 0 | 111.5 | ||||
| 37 | C | 28.6 | Very low | 31.3 | Very low | 114 Ų | 114 | 142.5 Ų | 142.5 | 77% | 0.77 | 80% | 0.802 | S | S | * | * | trans | -149.7 | 128.2 | 167.8 | -140.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 38 | D | 29.3 | Very low | 30.8 | Very low | 158 Ų | 158 | 147.2 Ų | 147.2 | 85% | 0.845 | 80% | 0.803 | S | S | * | * | trans | -73.7 | 143.4 | 171.2 | -67.8 | -58.8 | 0 | 0 | 0 | 111 | ||||
| 39 | F | 29.1 | Very low | 30.4 | Very low | 187 Ų | 187 | 147.4 Ų | 147.4 | 82% | 0.82 | 81% | 0.805 | S | S | * | * | trans | -142.3 | 126.2 | 161.6 | -91.5 | -80.4 | 0 | 0 | 0 | 111.5 | ||||
| 40 | A | 29.7 | Very low | 29.7 | Very low | 100 Ų | 100 | 150.8 Ų | 150.8 | 83% | 0.826 | 81% | 0.81 | S | S | * | * | trans | -101.3 | 139.5 | 164.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 41 | I | 30.3 | Very low | 29.7 | Very low | 161 Ų | 161 | 152.2 Ų | 152.2 | 83% | 0.826 | 81% | 0.812 | S | S | * | * | trans | -138.1 | 128.8 | 168.8 | -62 | -177.4 | 0 | 0 | 0 | 108.5 | ||||
| 42 | D | 26.5 | Very low | 30.4 | Very low | 143 Ų | 143 | 151.8 Ų | 151.8 | 77% | 0.765 | 81% | 0.806 | S | S | * | * | trans | -102.4 | 157.2 | 166.4 | 170.8 | 35.1 | 0 | 0 | 0 | 108.9 | ||||
| 43 | V | 31.7 | Very low | 30.1 | Very low | 112 Ų | 112 | 149.7 Ų | 149.7 | 68% | 0.679 | 80% | 0.804 | S | S | * | * | trans | 164.8 | 110.4 | 146.8 | 151.8 | 0 | 0 | 0 | 0 | 114 | ||||
| 44 | Q | 29.9 | Very low | 30.1 | Very low | 161 Ų | 161 | 151.6 Ų | 151.6 | 75% | 0.752 | 81% | 0.806 | S | S | * | * | trans | 72.7 | 111.6 | 136 | -62 | 175.2 | 29.6 | 0 | 0 | 125.3 | ||||
| 45 | N | 28.6 | Very low | 30.1 | Very low | 153 Ų | 153 | 148.8 Ų | 148.8 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | 38.2 | 124.6 | 117.2 | -78.7 | -22.2 | 0 | 0 | 0 | 123.7 | |||||
| 46 | V | 30.6 | Very low | 30.5 | Very low | 145 Ų | 145 | 149.7 Ų | 149.7 | 88% | 0.879 | 80% | 0.8 | S | S | * | * | trans | -147.6 | 113.6 | 136.6 | 179.7 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 47 | Q | 29.9 | Very low | 30.3 | Very low | 169 Ų | 169 | 150.8 Ų | 150.8 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | trans | 32.8 | 142.1 | 139.6 | -138.2 | 71 | 2.5 | 0 | 0 | 125.8 | ||||
| 48 | R | 25.2 | Very low | 30.7 | Very low | 246 Ų | 246 | 153.4 Ų | 153.4 | 93% | 0.928 | 80% | 0.804 | S | S | * | * | trans | 96.2 | 130.5 | 150.3 | -161.8 | -167.9 | -58 | -102.8 | 3.5 | 116.6 | ||||
| 49 | G | 26.6 | Very low | 30.8 | Very low | 65 Ų | 65 | 151.8 Ų | 151.8 | 67% | 0.67 | 80% | 0.795 | S | S | * | * | cis | 172 | 156.1 | -8.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 50 | E | 25.1 | Very low | 31.1 | Very low | 197 Ų | 197 | 150.5 Ų | 150.5 | 92% | 0.921 | 79% | 0.792 | S | S | * | * | trans | 72.5 | 160 | 165.7 | -62.1 | -170.3 | 157.2 | 0 | 0 | 122 | ||||
| 51 | I | 30.5 | Very low | 31.1 | Very low | 161 Ų | 161 | 149.1 Ų | 149.1 | 83% | 0.826 | 78% | 0.776 | S | S | * | * | trans | -159.4 | 156.3 | -161.1 | 6.2 | 170.2 | 0 | 0 | 0 | 107.2 | ||||
| 52 | P | 43.2 | Very low | 31.1 | Very low | 110 Ų | 110 | 151.3 Ų | 151.3 | 71% | 0.714 | 78% | 0.78 | S | S | * | * | -161.3 | 177.6 | 64.2 | 43 | -20.9 | 0 | 0 | 0 | 119.8 | |||||
| 53 | S | 26.4 | Very low | 31.3 | Very low | 98 Ų | 98 | 152.4 Ų | 152.4 | 69% | 0.685 | 78% | 0.783 | S | S | * | * | 112.6 | 144 | 127.2 | 80.3 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 54 | R | 30.2 | Very low | 31.2 | Very low | 234 Ų | 234 | 153.7 Ų | 153.7 | 88% | 0.883 | 79% | 0.791 | S | S | * | * | trans | 79.3 | 132 | 164.4 | -58.4 | -170.4 | -178.4 | -159.1 | -1.1 | 117.8 | ||||
| 55 | S | 31.5 | Very low | 31.3 | Very low | 96 Ų | 96 | 151.4 Ų | 151.4 | 67% | 0.671 | 79% | 0.793 | S | S | * | * | cis | 156.2 | 127.1 | -19.5 | 47.4 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 56 | K | 40.2 | Very low | 31.5 | Very low | 206 Ų | 206 | 153.8 Ų | 153.8 | 90% | 0.896 | 80% | 0.796 | S | S | * | * | trans | -180 | 112.9 | 141.8 | -104.3 | 167.3 | -176 | -176.8 | 0 | 110.3 | ||||
| 57 | D | 33.8 | Very low | 31.6 | Very low | 150 Ų | 150 | 153.7 Ų | 153.7 | 80% | 0.802 | 80% | 0.795 | S | S | * | * | trans | -79.5 | 150.9 | 169.2 | -52.9 | -71.4 | 0 | 0 | 0 | 111.2 | ||||
| 58 | L | 35.9 | Very low | 31.6 | Very low | 170 Ų | 170 | 149.8 Ų | 149.8 | 89% | 0.89 | 79% | 0.792 | S | S | * | * | trans | -161.5 | 102.5 | 134.3 | -135.9 | 73.7 | 0 | 0 | 0 | 111.4 | ||||
| 59 | D | 32.9 | Very low | 31.9 | Very low | 123 Ų | 123 | 146.7 Ų | 146.7 | 66% | 0.658 | 79% | 0.793 | S | S | * | * | trans | 2.5 | 150.9 | 134.3 | -79.9 | 14.4 | 0 | 0 | 0 | 119 | ||||
| 60 | Q | 34.2 | Very low | 32 | Very low | 161 Ų | 161 | 148.2 Ų | 148.2 | 75% | 0.752 | 80% | 0.799 | S | S | * | * | cis | -163.8 | 148.6 | 23.2 | -132.6 | 159.8 | 58.7 | 0 | 0 | 114.2 | ||||
| 61 | S | 30.5 | Very low | 32.2 | Very low | 71 Ų | 71 | 143.5 Ų | 143.5 | 50% | 0.497 | 79% | 0.794 | S | S | . | * | trans | 45 | 123 | 138.8 | 170.9 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 62 | F | 29.5 | Very low | 32.1 | Very low | 207 Ų | 207 | 142.8 Ų | 142.8 | 91% | 0.908 | 80% | 0.797 | S | S | * | * | -149.1 | 156 | 111.7 | -90.9 | -62.8 | 0 | 0 | 0 | 112.3 | |||||
| 63 | M | 30.6 | Very low | 31.4 | Very low | 166 Ų | 166 | 141.9 Ų | 141.9 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | trans | -82 | 143.7 | -159.1 | -65.8 | -86.2 | 97.9 | 0 | 0 | 115.3 | ||||
| 64 | T | 29.6 | Very low | 32.2 | Very low | 138 Ų | 138 | 142.3 Ų | 142.3 | 85% | 0.847 | 80% | 0.799 | S | S | * | * | trans | -119.1 | 127.2 | 156.7 | 51.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 65 | S | 31.7 | Very low | 31.9 | Very low | 114 Ų | 114 | 139.4 Ų | 139.4 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | trans | -88.3 | 129.2 | 175.2 | -179.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 66 | K | 34.4 | Very low | 31.8 | Very low | 202 Ų | 202 | 140.7 Ų | 140.7 | 88% | 0.878 | 80% | 0.799 | S | S | * | * | trans | -128.5 | 130.6 | 162.5 | -85 | -173 | 175.5 | 179.4 | 0 | 109.2 | ||||
| 67 | V | 30.8 | Very low | 31.3 | Very low | 143 Ų | 143 | 137.7 Ų | 137.7 | 87% | 0.867 | 80% | 0.798 | S | S | * | * | trans | -85.9 | 137 | 169.6 | 175.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 68 | A | 30.4 | Very low | 31 | Very low | 87 Ų | 87 | 139.6 Ų | 139.6 | 72% | 0.719 | 80% | 0.802 | S | S | * | * | trans | -85.8 | 161.5 | -179 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 69 | L | 31.3 | Very low | 30.6 | Very low | 182 Ų | 182 | 134.7 Ų | 134.7 | 95% | 0.953 | 79% | 0.793 | S | S | * | * | trans | -156.4 | 152.4 | 131.7 | -107.9 | 167 | 0 | 0 | 0 | 110.2 | ||||
| 70 | A | 29.9 | Very low | 30.4 | Very low | 96 Ų | 96 | 137.2 Ų | 137.2 | 79% | 0.793 | 81% | 0.807 | S | S | * | * | trans | -95.7 | 166.3 | -159.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 71 | A | 28.2 | Very low | 30.5 | Very low | 98 Ų | 98 | 139.1 Ų | 139.1 | 81% | 0.81 | 81% | 0.812 | S | S | * | * | trans | -85.6 | 163 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 72 | T | 29.6 | Very low | 31.4 | Very low | 147 Ų | 147 | 141 Ų | 141 | 90% | 0.902 | 82% | 0.823 | S | S | * | * | trans | -140.5 | 134.8 | 154 | 12.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 73 | A | 27.1 | Very low | 31.6 | Very low | 90 Ų | 90 | 139.1 Ų | 139.1 | 74% | 0.744 | 82% | 0.821 | S | S | * | * | trans | -135 | 178.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 74 | P | 43.2 | Very low | 31.5 | Very low | 108 Ų | 108 | 134.8 Ų | 134.8 | 70% | 0.701 | 82% | 0.82 | S | S | * | * | cis | -118.3 | -149.9 | 7 | 34.9 | -11.8 | 0 | 0 | 0 | 110.6 | ||||
| 75 | E | 25 | Very low | 31.7 | Very low | 173 Ų | 173 | 135.5 Ų | 135.5 | 81% | 0.808 | 82% | 0.816 | S | S | * | * | cis | -155 | -165.5 | 7.9 | -150.8 | 158.7 | 89.2 | 0 | 0 | 111.8 | ||||
| 76 | T | 30.2 | Very low | 31.7 | Very low | 122 Ų | 122 | 136.9 Ų | 136.9 | 75% | 0.748 | 82% | 0.82 | S | S | * | * | trans | -127.9 | 150.4 | -173.5 | 44.7 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 77 | V | 28.2 | Very low | 31.5 | Very low | 144 Ų | 144 | 132.4 Ų | 132.4 | 87% | 0.873 | 82% | 0.815 | S | S | * | * | trans | -141.6 | 145.5 | 158.8 | -172 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 78 | Q | 27.8 | Very low | 32.7 | Very low | 189 Ų | 189 | 130.7 Ų | 130.7 | 88% | 0.883 | 81% | 0.806 | S | S | * | * | trans | -64 | 173.3 | 171.6 | -67.6 | 148.7 | -71.7 | 0 | 0 | 112.5 | ||||
| 79 | G | 27.1 | Very low | 32.6 | Very low | 68 Ų | 68 | 132.7 Ų | 132.7 | 70% | 0.701 | 81% | 0.809 | S | S | * | * | cis | 167 | -175.8 | 2 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 80 | D | 28.7 | Very low | 33.1 | Very low | 176 Ų | 176 | 135.1 Ų | 135.1 | 94% | 0.941 | 81% | 0.806 | S | S | * | * | trans | 79.1 | 154.8 | 166.7 | -60.9 | -21 | 0 | 0 | 0 | 122.5 | ||||
| 81 | K | 37.8 | Very low | 34.1 | Very low | 201 Ų | 201 | 136.6 Ų | 136.6 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | trans | -124.2 | 166.8 | -162.1 | -92.6 | 177.3 | -177.2 | 174.5 | 0 | 108.4 | ||||
| 82 | P | 49.6 | Very low | 34.6 | Very low | 109 Ų | 109 | 141.1 Ų | 141.1 | 71% | 0.708 | 81% | 0.814 | S | S | * | * | -163.4 | 177.1 | 57.7 | 45.1 | -22 | 0 | 0 | 0 | 121.5 | |||||
| 83 | L | 33.6 | Very low | 34.8 | Very low | 168 Ų | 168 | 138 Ų | 138 | 88% | 0.88 | 81% | 0.812 | S | S | * | * | trans | 69.7 | 131.9 | 152.3 | -73 | 159.5 | 0 | 0 | 0 | 121.9 | ||||
| 84 | G | 27.8 | Very low | 35.2 | Very low | 76 Ų | 76 | 137.3 Ų | 137.3 | 78% | 0.784 | 81% | 0.813 | S | S | * | * | trans | 168.1 | 126.5 | 167.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 85 | I | 33.4 | Very low | 35.1 | Very low | 152 Ų | 152 | 142.1 Ų | 142.1 | 78% | 0.779 | 83% | 0.826 | S | S | * | * | trans | -115.9 | 140.3 | -165.6 | -57.5 | 165.1 | 0 | 0 | 0 | 110.9 | ||||
| 86 | T | 32.4 | Very low | 35.4 | Very low | 143 Ų | 143 | 137.7 Ų | 137.7 | 88% | 0.877 | 83% | 0.826 | S | S | * | * | trans | 160.2 | 166.1 | 134 | 41.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 87 | S | 29.6 | Very low | 35.6 | Very low | 109 Ų | 109 | 138.2 Ų | 138.2 | 76% | 0.762 | 83% | 0.83 | S | S | * | * | trans | -147.3 | -165.3 | -169.2 | -154.1 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 88 | P | 55.9 | Low | 36.4 | Very low | 107 Ų | 107 | 136.9 Ų | 136.9 | 70% | 0.695 | 82% | 0.824 | S | S | * | * | cis | -127.3 | -159.4 | -40.2 | 17.7 | 7.2 | 0 | 0 | 0 | 112.4 | ||||
| 89 | V | 27.8 | Very low | 36.8 | Very low | 128 Ų | 128 | 134.3 Ų | 134.3 | 78% | 0.776 | 82% | 0.821 | S | S | * | * | trans | 104.4 | 122.8 | 144 | -173.2 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 90 | R | 42.3 | Very low | 37 | Very low | 234 Ų | 234 | 141.4 Ų | 141.4 | 88% | 0.883 | 83% | 0.832 | S | S | * | * | trans | -95.4 | 159.2 | 155.6 | -65.2 | 177.4 | 171.2 | -172.9 | -2.8 | 109.5 | ||||
| 91 | P | 51.6 | Low | 37.1 | Very low | 127 Ų | 127 | 136.5 Ų | 136.5 | 83% | 0.825 | 82% | 0.823 | S | S | * | * | -147.7 | 176.9 | 114.6 | 35 | -17.6 | 0 | 0 | 0 | 116.2 | |||||
| 92 | M | 37.2 | Very low | 37 | Very low | 192 Ų | 192 | 136.7 Ų | 136.7 | 95% | 0.946 | 82% | 0.824 | S | S | * | * | trans | -93.8 | 165.6 | 177.4 | -58.4 | -110.1 | -66.8 | 0 | 0 | 112.2 | ||||
| 93 | G | 34.4 | Very low | 37.1 | Very low | 83 Ų | 83 | 136.7 Ų | 136.7 | 86% | 0.856 | 82% | 0.824 | S | S | * | * | trans | 179.1 | 149.5 | 165.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 94 | G | 35.8 | Very low | 37 | Very low | 74 Ų | 74 | 136.4 Ų | 136.4 | 76% | 0.763 | 82% | 0.822 | S | S | * | * | trans | -154.1 | -165.6 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 95 | E | 41.7 | Very low | 37 | Very low | 210 Ų | 210 | 137.7 Ų | 137.7 | 98% | 0.981 | 82% | 0.819 | S | S | * | * | trans | 85.6 | 137.3 | -179.1 | -58 | -150.2 | 151.7 | 0 | 0 | 119.5 | ||||
| 96 | G | 31.3 | Very low | 37.2 | Very low | 79 Ų | 79 | 136.8 Ų | 136.8 | 81% | 0.814 | 82% | 0.821 | S | S | * | * | trans | 149 | 103.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 97 | T | 33.9 | Very low | 37.1 | Very low | 134 Ų | 134 | 136.8 Ų | 136.8 | 82% | 0.822 | 82% | 0.815 | S | S | * | * | trans | -126.8 | 150.7 | 169.6 | -20.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 98 | P | 45.4 | Very low | 37.3 | Very low | 115 Ų | 115 | 137.2 Ų | 137.2 | 75% | 0.747 | 81% | 0.809 | S | S | * | * | -153.3 | 144.2 | 88.3 | 35.9 | -15.4 | 0 | 0 | 0 | 118.5 | |||||
| 99 | V | 34.9 | Very low | 36.4 | Very low | 136 Ų | 136 | 140.3 Ų | 140.3 | 82% | 0.824 | 82% | 0.816 | S | S | * | * | trans | 53.3 | 118.6 | 134.2 | -175.4 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 100 | K | 30.8 | Very low | 36.6 | Very low | 217 Ų | 217 | 140.7 Ų | 140.7 | 94% | 0.943 | 81% | 0.814 | S | S | * | * | -164.3 | 131.6 | 124.8 | -152.5 | 171 | -175.8 | 177.3 | 0 | 112.6 | |||||
| 101 | G | 31.5 | Very low | 36.3 | Very low | 73 Ų | 73 | 136.4 Ų | 136.4 | 75% | 0.753 | 81% | 0.809 | S | S | * | * | trans | 143.2 | 123.4 | 166.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 102 | K | 36.1 | Very low | 36.1 | Very low | 205 Ų | 205 | 135.1 Ų | 135.1 | 89% | 0.891 | 80% | 0.8 | S | S | * | * | trans | -165.1 | 162.2 | 172.1 | -91.3 | -172 | 179.8 | -178.4 | 0 | 107.4 | ||||
| 103 | P | 51.4 | Low | 35.7 | Very low | 109 Ų | 109 | 134.6 Ų | 134.6 | 71% | 0.708 | 80% | 0.796 | S | S | * | * | cis | -130.9 | -140.9 | -25.4 | 40 | -20.8 | 0 | 0 | 0 | 110.7 | ||||
| 104 | L | 31.3 | Very low | 35.7 | Very low | 161 Ų | 161 | 139.6 Ų | 139.6 | 84% | 0.843 | 80% | 0.799 | S | S | * | * | trans | 85.7 | 145.1 | 175.9 | -51.3 | -179.4 | 0 | 0 | 0 | 115.5 | ||||
| 105 | S | 28.8 | Very low | 35.5 | Very low | 103 Ų | 103 | 140.6 Ų | 140.6 | 72% | 0.72 | 80% | 0.8 | S | S | * | * | cis | -157.5 | 153.9 | -27.3 | -165.2 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 106 | V | 36.7 | Very low | 35.1 | Very low | 134 Ų | 134 | 137 Ų | 137 | 81% | 0.812 | 79% | 0.792 | S | S | * | * | trans | -103.6 | 124.3 | 172.6 | 169.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 107 | D | 30.7 | Very low | 35.1 | Very low | 142 Ų | 142 | 141 Ų | 141 | 76% | 0.759 | 80% | 0.795 | S | S | * | * | trans | -158.5 | 118.6 | 153 | -85.7 | -50.1 | 0 | 0 | 0 | 105.6 | ||||
| 108 | N | 34.3 | Very low | 35 | Very low | 119 Ų | 119 | 141 Ų | 141 | 64% | 0.636 | 79% | 0.79 | S | S | * | * | 76.9 | 112 | 62.2 | -170.1 | 19.1 | 0 | 0 | 0 | 112.6 | |||||
| 109 | M | 36.1 | Very low | 34.5 | Very low | 171 Ų | 171 | 142.8 Ų | 142.8 | 84% | 0.842 | 79% | 0.793 | S | S | * | * | trans | -161.3 | 117 | 153 | -91.2 | -46 | -66.1 | 0 | 0 | 111.2 | ||||
| 110 | D | 33.1 | Very low | 35.5 | Very low | 136 Ų | 136 | 141.4 Ų | 141.4 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | trans | -84.3 | 162.3 | 166.4 | -84.9 | -62.5 | 0 | 0 | 0 | 112.8 | ||||
| 111 | N | 35 | Very low | 35.5 | Very low | 144 Ų | 144 | 140.1 Ų | 140.1 | 77% | 0.77 | 78% | 0.781 | S | S | * | * | trans | -58.8 | 146.7 | 168.4 | 178.7 | 19.8 | 0 | 0 | 0 | 112.4 | Q113 | N111-Q113 PolarHBondContact OD1-N 3.44Š| ||
| 112 | P | 46.7 | Very low | 35.5 | Very low | 100 Ų | 100 | 143.1 Ų | 143.1 | 65% | 0.649 | 78% | 0.78 | S | S | * | * | -147.8 | 132 | 120.7 | 34.7 | -17.7 | 0 | 0 | 0 | 117.9 | |||||
| 113 | Q | 30 | Very low | 35.4 | Very low | 182 Ų | 182 | 138.1 Ų | 138.1 | 85% | 0.85 | 78% | 0.777 | S | S | * | * | 69.7 | 156.1 | 128.1 | -65.6 | -170 | -40.4 | 0 | 0 | 122.9 | N111 | N111-Q113 PolarHBondContact OD1-N 3.44Š| |||
| 114 | M | 35.2 | Very low | 34.2 | Very low | 188 Ų | 188 | 136.6 Ų | 136.6 | 93% | 0.926 | 78% | 0.781 | S | S | * | * | trans | -108.3 | 150.3 | -178.1 | -49.3 | -143.1 | -65.3 | 0 | 0 | 111.9 | ||||
| 115 | A | 31.4 | Very low | 34.3 | Very low | 94 Ų | 94 | 133.3 Ų | 133.3 | 78% | 0.777 | 78% | 0.777 | S | S | * | * | trans | -170.1 | 116.7 | 146 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 116 | V | 33.5 | Very low | 34.4 | Very low | 136 Ų | 136 | 137.5 Ų | 137.5 | 82% | 0.824 | 79% | 0.785 | S | S | * | * | trans | 28.4 | 120.3 | 132.9 | -170.9 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 117 | N | 29.3 | Very low | 34.3 | Very low | 162 Ų | 162 | 137.6 Ų | 137.6 | 87% | 0.866 | 78% | 0.782 | S | S | * | * | -156.9 | 159.6 | 126.1 | -151.4 | -2.9 | 0 | 0 | 0 | 112.8 | |||||
| 118 | N | 33.3 | Very low | 34.3 | Very low | 135 Ų | 135 | 134.7 Ų | 134.7 | 72% | 0.722 | 77% | 0.772 | S | S | * | * | trans | -119.6 | 161.5 | -174.4 | -81 | -66.7 | 0 | 0 | 0 | 113.9 | ||||
| 119 | N | 34.2 | Very low | 34.2 | Very low | 152 Ų | 152 | 134.7 Ų | 134.7 | 81% | 0.813 | 78% | 0.777 | S | S | * | * | trans | 88.4 | 159.3 | 145.3 | -103.9 | 7.1 | 0 | 0 | 0 | 120.5 | ||||
| 120 | P | 55.3 | Low | 34.4 | Very low | 107 Ų | 107 | 136.3 Ų | 136.3 | 70% | 0.695 | 78% | 0.779 | S | S | * | * | -138.7 | -175.9 | -120.8 | 41.7 | -20.6 | 0 | 0 | 0 | 115.4 | |||||
| 121 | K | 32.5 | Very low | 34.2 | Very low | 190 Ų | 190 | 133.5 Ų | 133.5 | 83% | 0.826 | 78% | 0.782 | S | S | * | * | trans | 146.1 | 157.8 | 159.5 | -93.1 | -167.7 | 162.2 | -173.8 | 0 | 110.9 | ||||
| 122 | D | 31.4 | Very low | 34.1 | Very low | 135 Ų | 135 | 133.3 Ų | 133.3 | 72% | 0.722 | 79% | 0.786 | S | S | * | * | cis | -170.7 | 157.4 | -22.6 | -154.3 | -18.4 | 0 | 0 | 0 | 108.2 | ||||
| 123 | A | 32.3 | Very low | 33.6 | Very low | 101 Ų | 101 | 135 Ų | 135 | 84% | 0.835 | 79% | 0.794 | S | S | * | * | trans | 55.1 | 150.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 124 | G | 28 | Very low | 34.1 | Very low | 76 Ų | 76 | 132.2 Ų | 132.2 | 78% | 0.784 | 79% | 0.792 | S | S | * | * | cis | -177.6 | -173.9 | -3.9 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 125 | A | 32.1 | Very low | 33.9 | Very low | 93 Ų | 93 | 126.6 Ų | 126.6 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | cis | -166.9 | 134.8 | -14.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 126 | E | 32.1 | Very low | 33.9 | Very low | 190 Ų | 190 | 128.3 Ų | 128.3 | 89% | 0.888 | 78% | 0.782 | S | S | * | * | trans | 59.3 | 159.6 | 163 | -45.1 | -157.7 | 166 | 0 | 0 | 118.3 | ||||
| 127 | D | 33.2 | Very low | 34.1 | Very low | 137 Ų | 137 | 129.3 Ų | 129.3 | 73% | 0.733 | 78% | 0.782 | S | S | * | * | cis | -150.4 | 170 | 15.8 | 178.5 | 37.2 | 0 | 0 | 0 | 112.5 | ||||
| 128 | S | 31.1 | Very low | 34.2 | Very low | 80 Ų | 80 | 124.6 Ų | 124.6 | 56% | 0.559 | 77% | 0.772 | S | S | * | * | trans | 104 | 78.4 | 143.2 | -104.2 | 0 | 0 | 0 | 0 | 123 | ||||
| 129 | T | 33.4 | Very low | 34.3 | Very low | 119 Ų | 119 | 125.4 Ų | 125.4 | 73% | 0.73 | 78% | 0.782 | S | S | * | * | 71.7 | 145.6 | 128.5 | 75.6 | 0 | 0 | 0 | 0 | 124.4 | |||||
| 130 | K | 38.5 | Very low | 34.2 | Very low | 206 Ų | 206 | 122.6 Ų | 122.6 | 90% | 0.896 | 78% | 0.78 | S | S | * | * | trans | 78.1 | 88.1 | 161.4 | -56.9 | -166 | -176.2 | 178.8 | 0 | 118.3 | ||||
| 131 | G | 29 | Very low | 33.2 | Very low | 77 Ų | 77 | 122.4 Ų | 122.4 | 79% | 0.794 | 78% | 0.781 | S | S | * | * | trans | -80.5 | 178.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 132 | V | 32.9 | Very low | 33.5 | Very low | 140 Ų | 140 | 121.2 Ų | 121.2 | 85% | 0.848 | 78% | 0.782 | S | S | * | * | trans | -159.1 | 143 | 143.1 | 145.5 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 133 | V | 36.7 | Very low | 33.7 | Very low | 136 Ų | 136 | 123.1 Ų | 123.1 | 82% | 0.824 | 79% | 0.787 | S | S | * | * | trans | -121.2 | 131.7 | -179.9 | 172.3 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 134 | P | 40.3 | Very low | 34 | Very low | 122 Ų | 122 | 126.3 Ų | 126.3 | 79% | 0.792 | 79% | 0.789 | S | S | * | * | -142.3 | 138.8 | 105.5 | 28.8 | -9.9 | 0 | 0 | 0 | 115.3 | |||||
| 135 | G | 30.5 | Very low | 34.2 | Very low | 70 Ų | 70 | 128.2 Ų | 128.2 | 72% | 0.722 | 79% | 0.79 | S | S | * | * | trans | -84.2 | -177 | -167 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 136 | V | 32 | Very low | 35.1 | Very low | 130 Ų | 130 | 129.5 Ų | 129.5 | 79% | 0.788 | 79% | 0.793 | S | S | * | * | trans | -141.5 | 104.3 | 173.5 | 179.8 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 137 | L | 38.2 | Very low | 35.4 | Very low | 158 Ų | 158 | 128.1 Ų | 128.1 | 83% | 0.827 | 79% | 0.787 | S | S | * | * | 50.2 | 110.9 | 102.8 | -72 | 151.1 | 0 | 0 | 0 | 112.1 | |||||
| 138 | G | 31.9 | Very low | 36.1 | Very low | 63 Ų | 63 | 125.8 Ų | 125.8 | 65% | 0.649 | 80% | 0.795 | S | S | * | * | cis | 89.5 | 88.8 | 30.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | A140 | G138-A140 PolarHBondContact O-N 3.41Š| ||
| 139 | T | 34.4 | Very low | 36.8 | Very low | 151 Ų | 151 | 130 Ų | 130 | 93% | 0.926 | 80% | 0.803 | S | S | * | * | trans | -70.5 | 93.9 | 179.8 | 48.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 140 | A | 32.1 | Very low | 37.2 | Very low | 93 Ų | 93 | 136 Ų | 136 | 77% | 0.769 | 81% | 0.813 | S | S | * | * | trans | -76.6 | 144.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | G138 | G138-A140 PolarHBondContact O-N 3.41Š| ||
| 141 | S | 34.1 | Very low | 37.6 | Very low | 104 Ų | 104 | 135.9 Ų | 135.9 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | trans | -52.2 | 149.3 | 172.8 | -51.7 | 0 | 0 | 0 | 0 | 113.1 | E143 | S141-E143 PolarHBondContact O-N 3.08Å; S141-E143 VanDerWaalsContact O-N 3.1Å | ||
| 142 | I | 40.4 | Very low | 38.4 | Very low | 164 Ų | 164 | 139.4 Ų | 139.4 | 84% | 0.841 | 81% | 0.807 | S | S | * | * | trans | -73.8 | 98 | 162.9 | -67.2 | 172.9 | 0 | 0 | 0 | 107.6 | ||||
| 143 | E | 34.1 | Very low | 39.1 | Very low | 176 Ų | 176 | 138.7 Ų | 138.7 | 82% | 0.822 | 80% | 0.797 | S | S | * | * | trans | -82.7 | 122.7 | 166 | -69.6 | -170.3 | 162.1 | 0 | 0 | 110 | S141 S145 | S141-E143 PolarHBondContact O-N 3.08Å; S141-E143 VanDerWaalsContact O-N 3.1Å; E143-S145 PolarHBondContact O-N 3.39Å; E143-S145 VanDerWaalsContact O-N 3.13Å | ||
| 144 | L | 39.9 | Very low | 40 | Very low | 168 Ų | 168 | 143.2 Ų | 143.2 | 88% | 0.88 | 80% | 0.8 | S | S | * | * | trans | -74.9 | 96.7 | 171 | -74.4 | 165.1 | 0 | 0 | 0 | 108.9 | S146 | L144-S146 PolarHBondContact O-N 3.23Š| ||
| 145 | S | 30.8 | Very low | 40.9 | Very low | 116 Ų | 116 | 146.1 Ų | 146.1 | 81% | 0.811 | 80% | 0.8 | S | S | * | * | trans | -69.8 | 117.7 | 176.3 | -170.9 | 0 | 0 | 0 | 0 | 111 | E143 E147 | E143-S145 PolarHBondContact O-N 3.39Å; E143-S145 VanDerWaalsContact O-N 3.13Å; S145-E147 PolarHBondContact O-N 3.11Å; S145-E147 VanDerWaalsContact O-N 3.09Å | ||
| 146 | S | 51 | Low | 42.1 | Very low | 119 Ų | 119 | 148.8 Ų | 148.8 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | trans | -81 | 75.1 | 177.9 | 59.8 | 0 | 0 | 0 | 0 | 111.9 | L144 | L144-S146 PolarHBondContact O-N 3.23Š| ||
| 147 | E | 39.7 | Very low | 43.4 | Very low | 162 Ų | 162 | 148 Ų | 148 | 76% | 0.757 | 80% | 0.8 | S | S | * | * | trans | -152.8 | 125.8 | 156.9 | -131.3 | -172.3 | -166.7 | 0 | 0 | 112.6 | S145 K149 | S145-E147 PolarHBondContact O-N 3.11Å; S145-E147 VanDerWaalsContact O-N 3.09Å; E147-K149 PolarHBondContact O-N 3.18Å | ||
| 148 | G | 47.8 | Very low | 44.6 | Very low | 87 Ų | 87 | 143.7 Ų | 143.7 | 90% | 0.897 | 79% | 0.787 | S | S | * | * | trans | -75.7 | 61.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 149 | K | 44.6 | Very low | 46.8 | Very low | 168 Ų | 168 | 144.1 Ų | 144.1 | 73% | 0.73 | 78% | 0.78 | S | S | * | * | trans | -124.5 | 102.9 | 179.5 | -152.1 | 145.6 | -172.4 | 169.4 | 0 | 111.2 | E147 R151 | E147-K149 PolarHBondContact O-N 3.18Å; K149-R151 PolarHBondContact O-N 2.92Å | ||
| 150 | W | 43.3 | Very low | 49.2 | Very low | 247 Ų | 247 | 142 Ų | 142 | 94% | 0.936 | 77% | 0.769 | S | S | * | * | trans | -63.7 | 75.8 | 173.9 | -70.6 | 83 | 0 | 0 | 0 | 111.1 | N152 | W150-N152 PolarHBondContact O-N 3.31Å; W150-N152 VanDerWaalsContact O-N 3.15Å | ||
| 151 | R | 46.7 | Very low | 51.9 | Low | 203 Ų | 203 | 143 Ų | 143 | 77% | 0.766 | 76% | 0.757 | S | S | * | * | trans | -69.9 | 108 | 165.8 | 60.1 | -163.4 | -61.3 | -98.5 | 2.7 | 107.1 | K149 I153 | K149-R151 PolarHBondContact O-N 2.92Å; R151-I153 VanDerWaalsContact C-N 3.28Å; R151-I153 PolarHBondContact O-N 3.25Å | ||
| 152 | N | 45.1 | Very low | 54.5 | Low | 150 Ų | 150 | 140.4 Ų | 140.4 | 80% | 0.802 | 74% | 0.742 | S | S | * | * | trans | -56.2 | 94.8 | 170.7 | -81 | -63.4 | 0 | 0 | 0 | 108.8 | W150 R154 | W150-N152 PolarHBondContact O-N 3.31Å; W150-N152 VanDerWaalsContact O-N 3.15Å; N152-R154 PolarHBondContact O-N 3.22Å | ||
| 153 | I | 47.9 | Very low | 56.9 | Low | 125 Ų | 125 | 138.2 Ų | 138.2 | 64% | 0.641 | 73% | 0.728 | S | S | * | * | trans | -65.7 | 94.3 | 165 | -60.6 | 172.4 | 0 | 0 | 0 | 104.3 | R151 K155 | R151-I153 VanDerWaalsContact C-N 3.28Å; R151-I153 PolarHBondContact O-N 3.25Å; I153-K155 HydrophobicContact CG2-CG 4.21Å; I153-K155 PolarHBondContact O-N 2.98Å | ||
| 154 | R | 54.7 | Low | 59.8 | Low | 232 Ų | 232 | 131.5 Ų | 131.5 | 88% | 0.875 | 70% | 0.703 | S | S | * | * | trans | -59.9 | 87.6 | 157.4 | -78.8 | -171.6 | -79.8 | -138.4 | -1.5 | 105.4 | N152 T156 | N152-R154 PolarHBondContact O-N 3.22Å; R154-T156 PolarHBondContact O-N 3.2Å | ||
| 155 | K | 58.8 | Low | 62.4 | Low | 183 Ų | 183 | 126.8 Ų | 126.8 | 80% | 0.796 | 68% | 0.679 | S | S | * | * | trans | -50.9 | 111.5 | 170.1 | -67.3 | 176.1 | -179.4 | 177.2 | 0 | 104.5 | I153 | I153-K155 HydrophobicContact CG2-CG 4.21Å; I153-K155 PolarHBondContact O-N 2.98Å | ||
| 156 | T | 57.3 | Low | 65.4 | Low | 125 Ų | 125 | 124.6 Ų | 124.6 | 77% | 0.767 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -50.7 | 134.2 | 169.2 | 31.3 | 0 | 0 | 0 | 0 | 106.7 | R154 A158 | R154-T156 PolarHBondContact O-N 3.2Å; T156-A158 PolarHBondContact O-N 3.46Å; T156-A158 VanDerWaalsContact O-N 3.11Å |
| 157 | P | 59.1 | Low | 67.6 | Low | 114 Ų | 114 | 123.9 Ų | 123.9 | 74% | 0.74 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 128.3 | -176.9 | 22.3 | -32.5 | 0 | 0 | 0 | 107.7 | S159 | P157-S159 PolarHBondContact O-N 3.47Š|
| 158 | A | 63.3 | Low | 70.3 | Confident | 68 Ų | 68 | 123.2 Ų | 123.2 | 56% | 0.562 | 64% | 0.64 | S | S | * | * | P | Polyproline II helix | trans | -50.3 | 138.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 107.8 | T156 | T156-A158 PolarHBondContact O-N 3.46Å; T156-A158 VanDerWaalsContact O-N 3.11Å |
| 159 | S | 78.7 | Confident | 72.7 | Confident | 72 Ų | 72 | 125.9 Ų | 125.9 | 50% | 0.503 | 63% | 0.629 | S | S | . | * | trans | -38.5 | 132.1 | -176.9 | 167.7 | 0 | 0 | 0 | 0 | 110.3 | P157 H161 A162 Q163 | P157-S159 PolarHBondContact O-N 3.47Å; S159-H161 CarbonylContact O-C 3.58Å; S159-H161 PolarHBondContact O-N 3.16Å; S159-A162 WeakPolarHBondContact O-CA 3.17Å; S159-A162 WeakPolarHBondContact O-CB 3.41Å; S159-A162 PolarHBondContact O-N 3.32Å; S159-Q163 PolarHBondContact O-N 2.92Å | ||
| 160 | P | 84.4 | Confident | 75.2 | Confident | 106 Ų | 106 | 121.6 Ų | 121.6 | 69% | 0.688 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -55.5 | -26.6 | -175.5 | 21 | -32.8 | 0 | 0 | 0 | 111.9 | A164 | P160-A164 VanDerWaalsContact O-CB 3.31Å; P160-A164 WeakPolarHBondContact O-CB 3.45Å; P160-A164 PolarHBondContact O-N 3.35Å |
| 161 | H | 87.7 | Confident | 77.8 | Confident | 113 Ų | 113 | 114.6 Ų | 114.6 | 52% | 0.523 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -68.3 | -39.8 | 171.7 | -166.8 | -1.8 | 0 | 0 | 0 | 113.6 | S159 A164 N165 | S159-H161 CarbonylContact O-C 3.58Å; S159-H161 PolarHBondContact O-N 3.16Å; H161-A164 PolarHBondContact O-N 3.31Å; H161-N165 PolarHBondContact CE1-ND2 2.78Å; H161-N165 PolarHBondContact CE1-OD1 3.05Å; H161-N165 PolarHBondContact ND1-ND2 3.21Å; H161-N165 PolarHBondContact ND1-OD1 2.93Å; H161-N165 WeakPolarHBondContact O-CB 3.22Å; H161-N165 PolarHBondContact O-N 2.88Å; H161-N165 PolarHBondContact O-ND2 3.27Å; H161-N165 PolarHBondContact O-OD1 2.98Å |
| 162 | A | 89.9 | Confident | 80.2 | Confident | 50 Ų | 50 | 109.6 Ų | 109.6 | 41% | 0.413 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -67.7 | -39.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | S159 N165 C166 | S159-A162 WeakPolarHBondContact O-CA 3.17Å; S159-A162 WeakPolarHBondContact O-CB 3.41Å; S159-A162 PolarHBondContact O-N 3.32Å; A162-N165 PolarHBondContact O-N 3.33Å; A162-C166 PolarHBondContact O-N 3.04Å |
| 163 | Q | 90.9 | Very high | 82.8 | Confident | 118 Ų | 118 | 108.2 Ų | 108.2 | 55% | 0.551 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -64 | -43.6 | 172.4 | -170.6 | 177.8 | 9.1 | 0 | 0 | 111.5 | S159 N165 C166 L167 | S159-Q163 PolarHBondContact O-N 2.92Å; Q163-N165 VanDerWaalsContact C-N 3.32Å; Q163-N165 PolarHBondContact O-N 3.35Å; Q163-C166 WeakPolarHBondContact O-CB 3.34Å; Q163-C166 PolarHBondContact O-N 2.99Å; Q163-L167 HydrophobicContact CG-CD1 4.5Å; Q163-L167 WeakPolarHBondContact O-CG 3.47Å; Q163-L167 PolarHBondContact O-N 3.1Å |
| 164 | A | 93.8 | Very high | 85.1 | Confident | 36 Ų | 36 | 107.2 Ų | 107.2 | 30% | 0.298 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -61.5 | -38.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | P160 H161 L167 R168 | P160-A164 VanDerWaalsContact O-CB 3.31Å; P160-A164 WeakPolarHBondContact O-CB 3.45Å; P160-A164 PolarHBondContact O-N 3.35Å; H161-A164 PolarHBondContact O-N 3.31Å; A164-L167 PolarHBondContact O-N 2.76Å; A164-R168 VanDerWaalsContact O-CG 3.27Å; A164-R168 WeakPolarHBondContact O-CG 3.37Å; A164-R168 PolarHBondContact O-N 2.75Å |
| 165 | N | 94.6 | Very high | 87.2 | Confident | 68 Ų | 68 | 100.8 Ų | 100.8 | 36% | 0.364 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -68 | -39.2 | 175.5 | -68.6 | -12.4 | 0 | 0 | 0 | 111.9 | H161 A162 Q163 R168 Q169 | H161-N165 PolarHBondContact CE1-ND2 2.78Å; H161-N165 PolarHBondContact CE1-OD1 3.05Å; H161-N165 PolarHBondContact ND1-ND2 3.21Å; H161-N165 PolarHBondContact ND1-OD1 2.93Å; H161-N165 WeakPolarHBondContact O-CB 3.22Å; H161-N165 PolarHBondContact O-N 2.88Å; H161-N165 PolarHBondContact O-ND2 3.27Å; H161-N165 PolarHBondContact O-OD1 2.98Å; A162-N165 PolarHBondContact O-N 3.33Å; Q163-N165 VanDerWaalsContact C-N 3.32Å; Q163-N165 PolarHBondContact O-N 3.35Å; N165-R168 PolarHBondContact O-N 2.7Å; N165-R168 PolarHBondContact OD1-NH1 3.37Å; N165-Q169 PolarHBondContact O-N 3.36Å |
| 166 | C | 94.2 | Very high | 89.1 | Confident | 71 Ų | 71 | 96.6 Ų | 96.6 | 48% | 0.48 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -60.5 | -45.7 | 172.7 | -175.1 | 0 | 0 | 0 | 0 | 111.9 | A162 Q163 R168 Q169 I170 | A162-C166 PolarHBondContact O-N 3.04Å; Q163-C166 WeakPolarHBondContact O-CB 3.34Å; Q163-C166 PolarHBondContact O-N 2.99Å; C166-R168 VanDerWaalsContact C-N 3.35Å; C166-R168 PolarHBondContact O-N 3.13Å; C166-Q169 WeakPolarHBondContact O-CB 3.46Å; C166-Q169 PolarHBondContact O-N 3.29Å; C166-I170 WeakPolarHBondContact O-CG1 3.45Å; C166-I170 PolarHBondContact O-N 3.47Å |
| 167 | L | 97.4 | Very high | 91.1 | Very high | 104 Ų | 104 | 94.8 Ų | 94.8 | 55% | 0.545 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.4 | -37.9 | 176.4 | -69.2 | 171.3 | 0 | 0 | 0 | 112.6 | Q163 A164 I170 L171 | Q163-L167 HydrophobicContact CG-CD1 4.5Å; Q163-L167 WeakPolarHBondContact O-CG 3.47Å; Q163-L167 PolarHBondContact O-N 3.1Å; A164-L167 PolarHBondContact O-N 2.76Å; L167-I170 PolarHBondContact O-N 3.32Å; L167-L171 WeakPolarHBondContact O-CB 3.36Å; L167-L171 PolarHBondContact O-N 2.9Å |
| 168 | R | 96.6 | Very high | 92.9 | Very high | 148 Ų | 148 | 94.3 Ų | 94.3 | 56% | 0.558 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.3 | -42.3 | 172.2 | -72.2 | 164.8 | 179.1 | 167.5 | -6.6 | 112 | A164 N165 C166 L171 L172 | A164-R168 VanDerWaalsContact O-CG 3.27Å; A164-R168 WeakPolarHBondContact O-CG 3.37Å; A164-R168 PolarHBondContact O-N 2.75Å; N165-R168 PolarHBondContact O-N 2.7Å; N165-R168 PolarHBondContact OD1-NH1 3.37Å; C166-R168 VanDerWaalsContact C-N 3.35Å; C166-R168 PolarHBondContact O-N 3.13Å; R168-L171 PolarHBondContact O-N 2.85Å; R168-L172 WeakPolarHBondContact O-CG 3.38Å; R168-L172 PolarHBondContact O-N 3.01Å |
| 169 | Q | 97.1 | Very high | 94.6 | Very high | 143 Ų | 143 | 96.5 Ų | 96.5 | 67% | 0.668 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61 | -44.6 | 176.8 | -162 | 89.1 | 42.6 | 0 | 0 | 111.4 | N165 C166 L172 L173 | N165-Q169 PolarHBondContact O-N 3.36Å; C166-Q169 WeakPolarHBondContact O-CB 3.46Å; C166-Q169 PolarHBondContact O-N 3.29Å; Q169-L172 PolarHBondContact O-N 2.84Å; Q169-L173 PolarHBondContact O-N 2.95Å |
| 170 | I | 97.4 | Very high | 95.5 | Very high | 78 Ų | 78 | 98.3 Ų | 98.3 | 40% | 0.4 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.4 | -42.4 | 177.2 | -66.6 | 165.9 | 0 | 0 | 0 | 110.9 | C166 L167 L173 Q174 | C166-I170 WeakPolarHBondContact O-CG1 3.45Å; C166-I170 PolarHBondContact O-N 3.47Å; L167-I170 PolarHBondContact O-N 3.32Å; I170-L173 PolarHBondContact O-N 2.72Å; I170-Q174 HydrophobicContact CG2-CG 4.42Å; I170-Q174 WeakPolarHBondContact O-CB 3.16Å; I170-Q174 WeakPolarHBondContact O-CG 3.27Å; I170-Q174 PolarHBondContact O-N 3.21Å |
| 171 | L | 97.9 | Very high | 96.2 | Very high | 99 Ų | 99 | 98.1 Ų | 98.1 | 52% | 0.518 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.6 | -41.4 | 178.6 | -173.7 | 69 | 0 | 0 | 0 | 112 | L167 R168 Q174 L175 | L167-L171 WeakPolarHBondContact O-CB 3.36Å; L167-L171 PolarHBondContact O-N 2.9Å; R168-L171 PolarHBondContact O-N 2.85Å; L171-Q174 PolarHBondContact O-N 3.22Å; L171-L175 WeakPolarHBondContact O-CG 3.4Å; L171-L175 PolarHBondContact O-N 3.18Å |
| 172 | L | 98 | Very high | 96.7 | Very high | 99 Ų | 99 | 97.2 Ų | 97.2 | 52% | 0.518 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61 | -48.6 | 173.4 | -73.2 | 167.8 | 0 | 0 | 0 | 111.1 | R168 Q169 Q174 L175 D176 | R168-L172 WeakPolarHBondContact O-CG 3.38Å; R168-L172 PolarHBondContact O-N 3.01Å; Q169-L172 PolarHBondContact O-N 2.84Å; L172-Q174 VanDerWaalsContact C-N 3.25Å; L172-Q174 PolarHBondContact O-N 3.09Å; L172-L175 WeakPolarHBondContact O-CB 3.31Å; L172-L175 PolarHBondContact O-N 3.33Å; L172-D176 VanDerWaalsContact O-CG 3.32Å; L172-D176 PolarHBondContact O-N 2.76Å |
| 173 | L | 98.3 | Very high | 97.1 | Very high | 120 Ų | 120 | 99.8 Ų | 99.8 | 63% | 0.628 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -60.4 | -34.5 | 177.4 | -168.5 | 72.6 | 0 | 0 | 0 | 112.8 | Q169 I170 L177 | Q169-L173 PolarHBondContact O-N 2.95Å; I170-L173 PolarHBondContact O-N 2.72Å; L173-L177 WeakPolarHBondContact O-CB 3.43Å; L173-L177 PolarHBondContact O-N 3.22Å |
| 174 | Q | 97.8 | Very high | 97.4 | Very high | 105 Ų | 105 | 99.9 Ų | 99.9 | 49% | 0.491 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -68.7 | -39.2 | 173.8 | -76.1 | 175.7 | -18.2 | 0 | 0 | 112.3 | I170 L171 L172 I178 | I170-Q174 HydrophobicContact CG2-CG 4.42Å; I170-Q174 WeakPolarHBondContact O-CB 3.16Å; I170-Q174 WeakPolarHBondContact O-CG 3.27Å; I170-Q174 PolarHBondContact O-N 3.21Å; L171-Q174 PolarHBondContact O-N 3.22Å; L172-Q174 VanDerWaalsContact C-N 3.25Å; L172-Q174 PolarHBondContact O-N 3.09Å; Q174-I178 WeakPolarHBondContact O-CD1 3.4Å; Q174-I178 WeakPolarHBondContact O-CG1 3.29Å; Q174-I178 PolarHBondContact O-N 2.68Å |
| 175 | L | 98.3 | Very high | 97.6 | Very high | 97 Ų | 97 | 102.9 Ų | 102.9 | 51% | 0.508 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.7 | -45.6 | 174.7 | -70.3 | 169.2 | 0 | 0 | 0 | 111.3 | L171 L172 L177 I178 E179 | L171-L175 WeakPolarHBondContact O-CG 3.4Å; L171-L175 PolarHBondContact O-N 3.18Å; L172-L175 WeakPolarHBondContact O-CB 3.31Å; L172-L175 PolarHBondContact O-N 3.33Å; L175-L177 VanDerWaalsContact C-N 3.31Å; L175-L177 PolarHBondContact O-N 3.37Å; L175-I178 PolarHBondContact O-N 2.82Å; L175-E179 PolarHBondContact O-N 3.11Å |
| 176 | D | 98.2 | Very high | 97.8 | Very high | 95 Ų | 95 | 105.2 Ų | 105.2 | 51% | 0.508 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59.1 | -42.3 | 176.4 | -63.6 | -14.8 | 0 | 0 | 0 | 111.3 | L172 E179 Q180 | L172-D176 VanDerWaalsContact O-CG 3.32Å; L172-D176 PolarHBondContact O-N 2.76Å; D176-E179 PolarHBondContact O-N 2.84Å; D176-Q180 WeakPolarHBondContact O-CB 3.42Å; D176-Q180 PolarHBondContact O-N 3.11Å |
| 177 | L | 98.4 | Very high | 98 | Very high | 87 Ų | 87 | 105.7 Ų | 105.7 | 46% | 0.455 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.1 | -41.8 | 176.4 | 179.7 | 62.8 | 0 | 0 | 0 | 112.2 | L173 L175 Q180 Q181 | L173-L177 WeakPolarHBondContact O-CB 3.43Å; L173-L177 PolarHBondContact O-N 3.22Å; L175-L177 VanDerWaalsContact C-N 3.31Å; L175-L177 PolarHBondContact O-N 3.37Å; L177-Q180 PolarHBondContact O-N 2.96Å; L177-Q181 HydrophobicContact CD1-CG 4.46Å; L177-Q181 WeakPolarHBondContact O-CB 3.35Å; L177-Q181 VanDerWaalsContact O-CG 3.28Å; L177-Q181 WeakPolarHBondContact O-CG 3.37Å; L177-Q181 PolarHBondContact O-N 3.15Å |
| 178 | I | 98.4 | Very high | 98 | Very high | 103 Ų | 103 | 106.1 Ų | 106.1 | 53% | 0.528 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.7 | -41.8 | 175.9 | -70.5 | 163.3 | 0 | 0 | 0 | 110.3 | Q174 L175 Q181 Q182 | Q174-I178 WeakPolarHBondContact O-CD1 3.4Å; Q174-I178 WeakPolarHBondContact O-CG1 3.29Å; Q174-I178 PolarHBondContact O-N 2.68Å; L175-I178 PolarHBondContact O-N 2.82Å; I178-Q181 PolarHBondContact O-N 2.75Å; I178-Q182 VanDerWaalsContact O-CB 3.31Å; I178-Q182 WeakPolarHBondContact O-CB 3.24Å; I178-Q182 PolarHBondContact O-N 2.91Å |
| 179 | E | 97.8 | Very high | 98.1 | Very high | 114 Ų | 114 | 103.2 Ų | 103.2 | 53% | 0.533 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.1 | -47.4 | 175.5 | -172.5 | 178.8 | 169.2 | 0 | 0 | 111.1 | L175 D176 Q181 Q182 Q183 | L175-E179 PolarHBondContact O-N 3.11Å; D176-E179 PolarHBondContact O-N 2.84Å; E179-Q181 VanDerWaalsContact C-N 3.33Å; E179-Q181 PolarHBondContact O-N 3.4Å; E179-Q182 PolarHBondContact O-N 2.99Å; E179-Q182 VanDerWaalsContact O-N 3.15Å; E179-Q183 HydrophobicContact CG-CG 4.47Å; E179-Q183 WeakPolarHBondContact O-CG 3.27Å; E179-Q183 PolarHBondContact O-N 3.35Å; E179-Q183 PolarHBondContact OE1-NE2 3.35Å |
| 180 | Q | 98.4 | Very high | 98.1 | Very high | 111 Ų | 111 | 102.7 Ų | 102.7 | 52% | 0.519 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -58.9 | -43.4 | 176.9 | -174.3 | -177.8 | -2.2 | 0 | 0 | 111.9 | D176 L177 Q183 Q184 | D176-Q180 WeakPolarHBondContact O-CB 3.42Å; D176-Q180 PolarHBondContact O-N 3.11Å; L177-Q180 PolarHBondContact O-N 2.96Å; Q180-Q183 PolarHBondContact O-N 3.48Å; Q180-Q184 WeakPolarHBondContact O-CG 3.41Å; Q180-Q184 PolarHBondContact O-N 3.34Å |
| 181 | Q | 98.1 | Very high | 98.2 | Very high | 102 Ų | 102 | 103.1 Ų | 103.1 | 48% | 0.477 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.5 | -40.6 | 175.6 | -74.7 | 176.4 | -8.3 | 0 | 0 | 111.8 | L177 I178 E179 Q184 L185 | L177-Q181 HydrophobicContact CD1-CG 4.46Å; L177-Q181 WeakPolarHBondContact O-CB 3.35Å; L177-Q181 VanDerWaalsContact O-CG 3.28Å; L177-Q181 WeakPolarHBondContact O-CG 3.37Å; L177-Q181 PolarHBondContact O-N 3.15Å; I178-Q181 PolarHBondContact O-N 2.75Å; E179-Q181 VanDerWaalsContact C-N 3.33Å; E179-Q181 PolarHBondContact O-N 3.4Å; Q181-Q184 PolarHBondContact O-N 3.41Å; Q181-L185 WeakPolarHBondContact O-CG 3.42Å; Q181-L185 PolarHBondContact O-N 2.97Å |
| 182 | Q | 98.6 | Very high | 98.2 | Very high | 93 Ų | 93 | 102.2 Ų | 102.2 | 44% | 0.435 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.8 | -39 | 177.7 | -175.6 | 57.9 | 79.7 | 0 | 0 | 112.3 | I178 E179 L185 Q186 | I178-Q182 VanDerWaalsContact O-CB 3.31Å; I178-Q182 WeakPolarHBondContact O-CB 3.24Å; I178-Q182 PolarHBondContact O-N 2.91Å; E179-Q182 PolarHBondContact O-N 2.99Å; E179-Q182 VanDerWaalsContact O-N 3.15Å; Q182-L185 PolarHBondContact O-N 3.08Å; Q182-Q186 WeakPolarHBondContact O-CG 3.35Å; Q182-Q186 PolarHBondContact O-N 3.12Å |
| 183 | Q | 98.3 | Very high | 98.2 | Very high | 105 Ų | 105 | 101.7 Ų | 101.7 | 49% | 0.491 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.4 | -40.3 | 173.3 | -68.8 | 178.7 | 14.3 | 0 | 0 | 111.6 | E179 Q180 Q186 S187 | E179-Q183 HydrophobicContact CG-CG 4.47Å; E179-Q183 WeakPolarHBondContact O-CG 3.27Å; E179-Q183 PolarHBondContact O-N 3.35Å; E179-Q183 PolarHBondContact OE1-NE2 3.35Å; Q180-Q183 PolarHBondContact O-N 3.48Å; Q183-Q186 PolarHBondContact O-N 2.97Å; Q183-S187 WeakPolarHBondContact O-CB 3.48Å; Q183-S187 PolarHBondContact O-N 3.32Å |
| 184 | Q | 97.8 | Very high | 98.2 | Very high | 120 Ų | 120 | 101 Ų | 101 | 56% | 0.561 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63.4 | -42.6 | 174 | -79.2 | -167.9 | -18.9 | 0 | 0 | 112.6 | Q180 Q181 S187 K188 | Q180-Q184 WeakPolarHBondContact O-CG 3.41Å; Q180-Q184 PolarHBondContact O-N 3.34Å; Q181-Q184 PolarHBondContact O-N 3.41Å; Q184-S187 WeakPolarHBondContact O-CB 3.28Å; Q184-S187 PolarHBondContact O-N 3.43Å; Q184-K188 WeakPolarHBondContact O-CG 3.48Å; Q184-K188 PolarHBondContact O-N 3.47Å |
| 185 | L | 98.3 | Very high | 98.1 | Very high | 98 Ų | 98 | 101 Ų | 101 | 51% | 0.513 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.6 | -49.4 | 175 | -76.6 | 167.6 | 0 | 0 | 0 | 111.2 | Q181 Q182 S187 K188 D189 | Q181-L185 WeakPolarHBondContact O-CG 3.42Å; Q181-L185 PolarHBondContact O-N 2.97Å; Q182-L185 PolarHBondContact O-N 3.08Å; L185-S187 VanDerWaalsContact C-N 3.3Å; L185-S187 PolarHBondContact O-N 3.43Å; L185-K188 CarbonylContact O-C 3.51Å; L185-K188 WeakPolarHBondContact O-CA 3.43Å; L185-K188 WeakPolarHBondContact O-CB 3.34Å; L185-K188 PolarHBondContact O-N 3.34Å; L185-D189 PolarHBondContact O-N 3.41Å |
| 186 | Q | 98.4 | Very high | 98.1 | Very high | 117 Ų | 117 | 101.5 Ų | 101.5 | 55% | 0.547 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.9 | -38 | 177.2 | -72.2 | 173 | 8 | 0 | 0 | 113 | Q182 Q183 K188 K190 | Q182-Q186 WeakPolarHBondContact O-CG 3.35Å; Q182-Q186 PolarHBondContact O-N 3.12Å; Q183-Q186 PolarHBondContact O-N 2.97Å; Q186-K188 VanDerWaalsContact C-N 3.34Å; Q186-K190 WeakPolarHBondContact O-CB 3.33Å; Q186-K190 PolarHBondContact O-N 2.95Å; Q186-K190 VanDerWaalsContact O-N 3.11Å |
| 187 | S | 97.9 | Very high | 98.1 | Very high | 81 Ų | 81 | 99.3 Ų | 99.3 | 57% | 0.566 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.6 | -39.4 | 173.7 | -171.6 | 0 | 0 | 0 | 0 | 112 | Q183 Q184 L185 E191 | Q183-S187 WeakPolarHBondContact O-CB 3.48Å; Q183-S187 PolarHBondContact O-N 3.32Å; Q184-S187 WeakPolarHBondContact O-CB 3.28Å; Q184-S187 PolarHBondContact O-N 3.43Å; L185-S187 VanDerWaalsContact C-N 3.3Å; L185-S187 PolarHBondContact O-N 3.43Å; S187-E191 PolarHBondContact O-N 2.74Å; S187-E191 VanDerWaalsContact O-N 3.09Å |
| 188 | K | 97.9 | Very high | 98.1 | Very high | 113 Ų | 113 | 99.9 Ų | 99.9 | 49% | 0.491 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -72.5 | -39.6 | 177.7 | -75 | -74.4 | 163.7 | -162.6 | 0 | 113.1 | Q184 L185 Q186 K190 E191 I192 | Q184-K188 WeakPolarHBondContact O-CG 3.48Å; Q184-K188 PolarHBondContact O-N 3.47Å; L185-K188 CarbonylContact O-C 3.51Å; L185-K188 WeakPolarHBondContact O-CA 3.43Å; L185-K188 WeakPolarHBondContact O-CB 3.34Å; L185-K188 PolarHBondContact O-N 3.34Å; Q186-K188 VanDerWaalsContact C-N 3.34Å; K188-K190 VanDerWaalsContact C-N 3.3Å; K188-K190 PolarHBondContact O-N 2.95Å; K188-E191 WeakPolarHBondContact CD-OE2 3.4Å; K188-E191 WeakPolarHBondContact CE-OE2 3.19Å; K188-E191 IonicContact NZ-OE1 2.68Å; K188-E191 IonicContact NZ-OE2 3.56Å; K188-E191 PolarHBondContact NZ-OE2 3.37Å; K188-E191 PolarHBondContact O-N 2.92Å; K188-I192 WeakPolarHBondContact O-CB 3.21Å; K188-I192 VanDerWaalsContact O-CG1 3.26Å; K188-I192 WeakPolarHBondContact O-CG1 3.39Å; K188-I192 PolarHBondContact O-N 2.91Å |
| 189 | D | 98.3 | Very high | 98 | Very high | 87 Ų | 87 | 101.6 Ų | 101.6 | 47% | 0.465 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.1 | -41 | 174 | -69.5 | -36.2 | 0 | 0 | 0 | 111 | L185 I192 D193 | L185-D189 PolarHBondContact O-N 3.41Å; D189-I192 WeakPolarHBondContact O-CB 3.43Å; D189-I192 PolarHBondContact O-N 3.44Å; D189-D193 PolarHBondContact O-N 3.22Å |
| 190 | K | 98.4 | Very high | 98.1 | Very high | 132 Ų | 132 | 102.7 Ų | 102.7 | 57% | 0.574 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.7 | -44.9 | 174 | -170.3 | 177.9 | -178.4 | -84.4 | 0 | 112.7 | Q186 K188 I192 D193 E194 | Q186-K190 WeakPolarHBondContact O-CB 3.33Å; Q186-K190 PolarHBondContact O-N 2.95Å; Q186-K190 VanDerWaalsContact O-N 3.11Å; K188-K190 VanDerWaalsContact C-N 3.3Å; K188-K190 PolarHBondContact O-N 2.95Å; K190-I192 VanDerWaalsContact C-N 3.3Å; K190-I192 PolarHBondContact O-N 3.25Å; K190-D193 PolarHBondContact O-N 3.05Å; K190-E194 IonicContact NZ-OE1 3.15Å; K190-E194 PolarHBondContact NZ-OE1 2.98Å; K190-E194 WeakPolarHBondContact O-CG 3.31Å; K190-E194 PolarHBondContact O-N 3.18Å |
| 191 | E | 98.1 | Very high | 98 | Very high | 87 Ų | 87 | 101.3 Ų | 101.3 | 41% | 0.407 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -59.9 | -41.5 | 174.7 | -176 | -177 | 177.3 | 0 | 0 | 111.4 | S187 K188 L195 | S187-E191 PolarHBondContact O-N 2.74Å; S187-E191 VanDerWaalsContact O-N 3.09Å; K188-E191 WeakPolarHBondContact CD-OE2 3.4Å; K188-E191 WeakPolarHBondContact CE-OE2 3.19Å; K188-E191 IonicContact NZ-OE1 2.68Å; K188-E191 IonicContact NZ-OE2 3.56Å; K188-E191 PolarHBondContact NZ-OE2 3.37Å; K188-E191 PolarHBondContact O-N 2.92Å; E191-L195 HydrophobicContact CG-CD1 4.3Å; E191-L195 WeakPolarHBondContact O-CB 3.48Å; E191-L195 VanDerWaalsContact O-CG 3.29Å; E191-L195 WeakPolarHBondContact O-CG 3.45Å; E191-L195 PolarHBondContact O-N 3.35Å |
| 192 | I | 97.9 | Very high | 98 | Very high | 81 Ų | 81 | 101 Ų | 101 | 42% | 0.415 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.7 | -43.8 | 176.2 | -73.7 | 164.9 | 0 | 0 | 0 | 111.2 | K188 D189 K190 L195 K196 | K188-I192 WeakPolarHBondContact O-CB 3.21Å; K188-I192 VanDerWaalsContact O-CG1 3.26Å; K188-I192 WeakPolarHBondContact O-CG1 3.39Å; K188-I192 PolarHBondContact O-N 2.91Å; D189-I192 WeakPolarHBondContact O-CB 3.43Å; D189-I192 PolarHBondContact O-N 3.44Å; K190-I192 VanDerWaalsContact C-N 3.3Å; K190-I192 PolarHBondContact O-N 3.25Å; I192-L195 PolarHBondContact O-N 3.45Å; I192-K196 HydrophobicContact CG2-CD 4.35Å; I192-K196 VanDerWaalsContact CG2-CE 3.44Å; I192-K196 WeakPolarHBondContact O-CG 3.44Å; I192-K196 PolarHBondContact O-N 3.06Å |
| 193 | D | 98.4 | Very high | 97.9 | Very high | 88 Ų | 88 | 101.1 Ų | 101.1 | 47% | 0.471 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -71.1 | -35.6 | -179.7 | -76.1 | -13 | 0 | 0 | 0 | 112.9 | D189 K190 K196 A197 | D189-D193 PolarHBondContact O-N 3.22Å; K190-D193 PolarHBondContact O-N 3.05Å; D193-K196 PolarHBondContact O-N 3.3Å; D193-K196 WeakPolarHBondContact OD1-CD 3.36Å; D193-K196 IonicContact OD1-NZ 2.67Å; D193-K196 PolarHBondContact OD1-NZ 3.41Å; D193-A197 PolarHBondContact O-N 2.95Å |
| 194 | E | 98.1 | Very high | 97.9 | Very high | 106 Ų | 106 | 97.6 Ų | 97.6 | 50% | 0.495 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.2 | -45.8 | 169.3 | -72.8 | 175.9 | -166.5 | 0 | 0 | 110.9 | K190 K196 A197 D198 | K190-E194 IonicContact NZ-OE1 3.15Å; K190-E194 PolarHBondContact NZ-OE1 2.98Å; K190-E194 WeakPolarHBondContact O-CG 3.31Å; K190-E194 PolarHBondContact O-N 3.18Å; E194-K196 PolarHBondContact O-N 3.3Å; E194-A197 PolarHBondContact O-N 3.34Å; E194-D198 PolarHBondContact O-N 3Å |
| 195 | L | 97.3 | Very high | 97.9 | Very high | 104 Ų | 104 | 100.4 Ų | 100.4 | 55% | 0.545 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67.1 | -32.6 | 176.7 | -71 | 172.2 | 0 | 0 | 0 | 113.6 | E191 I192 K199 | E191-L195 HydrophobicContact CG-CD1 4.3Å; E191-L195 WeakPolarHBondContact O-CB 3.48Å; E191-L195 VanDerWaalsContact O-CG 3.29Å; E191-L195 WeakPolarHBondContact O-CG 3.45Å; E191-L195 PolarHBondContact O-N 3.35Å; I192-L195 PolarHBondContact O-N 3.45Å; L195-K199 VanDerWaalsContact O-CB 3.32Å; L195-K199 WeakPolarHBondContact O-CB 3.4Å; L195-K199 PolarHBondContact O-N 2.99Å |
| 196 | K | 97.7 | Very high | 97.8 | Very high | 107 Ų | 107 | 100.2 Ų | 100.2 | 47% | 0.465 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.3 | -47.9 | 171.2 | -74 | 171.3 | -165.6 | 153.5 | 0 | 110.8 | I192 D193 E194 D198 K199 E200 | I192-K196 HydrophobicContact CG2-CD 4.35Å; I192-K196 VanDerWaalsContact CG2-CE 3.44Å; I192-K196 WeakPolarHBondContact O-CG 3.44Å; I192-K196 PolarHBondContact O-N 3.06Å; D193-K196 PolarHBondContact O-N 3.3Å; D193-K196 WeakPolarHBondContact OD1-CD 3.36Å; D193-K196 IonicContact OD1-NZ 2.67Å; D193-K196 PolarHBondContact OD1-NZ 3.41Å; E194-K196 PolarHBondContact O-N 3.3Å; K196-D198 PolarHBondContact O-N 3.44Å; K196-K199 WeakPolarHBondContact O-CB 3.49Å; K196-K199 PolarHBondContact O-N 2.93Å; K196-E200 WeakPolarHBondContact O-CG 3.47Å; K196-E200 PolarHBondContact O-N 3.16Å |
| 197 | A | 98.2 | Very high | 97.7 | Very high | 50 Ų | 50 | 99 Ų | 99 | 41% | 0.413 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59.6 | -46.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | D193 E194 K199 E200 T201 | D193-A197 PolarHBondContact O-N 2.95Å; E194-A197 PolarHBondContact O-N 3.34Å; A197-K199 PolarHBondContact O-N 2.97Å; A197-E200 PolarHBondContact O-N 3.08Å; A197-T201 VanDerWaalsContact O-CG2 3.26Å; A197-T201 WeakPolarHBondContact O-CG2 3.4Å; A197-T201 PolarHBondContact O-N 2.87Å |
| 198 | D | 97.4 | Very high | 97.6 | Very high | 99 Ų | 99 | 102.3 Ų | 102.3 | 53% | 0.529 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59.3 | -44.7 | 175.8 | -92.6 | 0.5 | 0 | 0 | 0 | 112.1 | E194 K196 E200 T201 L202 | E194-D198 PolarHBondContact O-N 3Å; K196-D198 PolarHBondContact O-N 3.44Å; D198-E200 VanDerWaalsContact C-N 3.34Å; D198-E200 PolarHBondContact O-N 3.26Å; D198-T201 PolarHBondContact O-N 3.47Å; D198-T201 PolarHBondContact O-OG1 3Å; D198-L202 WeakPolarHBondContact O-CG 3.24Å; D198-L202 PolarHBondContact O-N 3.04Å |
| 199 | K | 97.8 | Very high | 97.4 | Very high | 139 Ų | 139 | 103 Ų | 103 | 60% | 0.604 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -56.6 | -45.4 | 174 | 177 | -173.1 | 175.2 | -173 | 0 | 111.7 | L195 K196 A197 L202 L203 | L195-K199 VanDerWaalsContact O-CB 3.32Å; L195-K199 WeakPolarHBondContact O-CB 3.4Å; L195-K199 PolarHBondContact O-N 2.99Å; K196-K199 WeakPolarHBondContact O-CB 3.49Å; K196-K199 PolarHBondContact O-N 2.93Å; A197-K199 PolarHBondContact O-N 2.97Å; K199-L202 PolarHBondContact O-N 3.07Å; K199-L203 HydrophobicContact CG-CD1 4.2Å; K199-L203 WeakPolarHBondContact O-CG 3.49Å; K199-L203 PolarHBondContact O-N 2.9Å |
| 200 | E | 98.1 | Very high | 97.2 | Very high | 137 Ų | 137 | 103.4 Ų | 103.4 | 64% | 0.64 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.5 | -42.3 | 176.9 | -72.8 | 179 | -171.9 | 0 | 0 | 112.1 | K196 A197 D198 L202 L203 A204 | K196-E200 WeakPolarHBondContact O-CG 3.47Å; K196-E200 PolarHBondContact O-N 3.16Å; A197-E200 PolarHBondContact O-N 3.08Å; D198-E200 VanDerWaalsContact C-N 3.34Å; D198-E200 PolarHBondContact O-N 3.26Å; E200-L202 VanDerWaalsContact C-N 3.3Å; E200-L202 PolarHBondContact O-N 2.68Å; E200-L203 PolarHBondContact O-N 3.38Å; E200-A204 WeakPolarHBondContact O-CB 3.49Å; E200-A204 PolarHBondContact O-N 3.19Å |
| 201 | T | 97.8 | Very high | 97 | Very high | 82 Ų | 82 | 103 Ų | 103 | 50% | 0.503 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.9 | -37.9 | 176.2 | 77.1 | 0 | 0 | 0 | 0 | 112.3 | A197 D198 R205 | A197-T201 VanDerWaalsContact O-CG2 3.26Å; A197-T201 WeakPolarHBondContact O-CG2 3.4Å; A197-T201 PolarHBondContact O-N 2.87Å; D198-T201 PolarHBondContact O-N 3.47Å; D198-T201 PolarHBondContact O-OG1 3Å; T201-R205 WeakPolarHBondContact O-CB 3.46Å; T201-R205 PolarHBondContact O-N 2.82Å |
| 202 | L | 98 | Very high | 96.8 | Very high | 94 Ų | 94 | 107.8 Ų | 107.8 | 49% | 0.492 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -69.2 | -42.6 | 177.1 | -71.5 | 174.3 | 0 | 0 | 0 | 111.7 | D198 K199 E200 R205 I206 | D198-L202 WeakPolarHBondContact O-CG 3.24Å; D198-L202 PolarHBondContact O-N 3.04Å; K199-L202 PolarHBondContact O-N 3.07Å; E200-L202 VanDerWaalsContact C-N 3.3Å; E200-L202 PolarHBondContact O-N 2.68Å; L202-R205 WeakPolarHBondContact O-CB 3.22Å; L202-R205 PolarHBondContact O-N 2.99Å; L202-R205 VanDerWaalsContact O-N 3.15Å; L202-I206 WeakPolarHBondContact O-CG1 3.42Å; L202-I206 PolarHBondContact O-N 3.43Å |
| 203 | L | 96.8 | Very high | 96.3 | Very high | 96 Ų | 96 | 108.2 Ų | 108.2 | 50% | 0.503 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.7 | -49.5 | 173.4 | -73.6 | 172.7 | 0 | 0 | 0 | 111 | K199 E200 R205 I206 E207 | K199-L203 HydrophobicContact CG-CD1 4.2Å; K199-L203 WeakPolarHBondContact O-CG 3.49Å; K199-L203 PolarHBondContact O-N 2.9Å; E200-L203 PolarHBondContact O-N 3.38Å; L203-R205 PolarHBondContact O-N 3.4Å; L203-I206 PolarHBondContact O-N 2.89Å; L203-I206 VanDerWaalsContact O-N 3.16Å; L203-E207 VanDerWaalsContact O-CB 3.3Å; L203-E207 WeakPolarHBondContact O-CB 3.37Å; L203-E207 PolarHBondContact O-N 2.86Å |
| 204 | A | 97.8 | Very high | 95.6 | Very high | 32 Ų | 32 | 109 Ų | 109 | 26% | 0.264 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.2 | -30 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | E200 R208 | E200-A204 WeakPolarHBondContact O-CB 3.49Å; E200-A204 PolarHBondContact O-N 3.19Å; A204-R208 WeakPolarHBondContact O-CG 3.47Å; A204-R208 PolarHBondContact O-N 2.94Å; A204-R208 VanDerWaalsContact O-N 3.15Å; A204-R208 PolarHBondContact O-NH1 2.89Å |
| 205 | R | 97.4 | Very high | 94.5 | Very high | 178 Ų | 178 | 108.8 Ų | 108.8 | 67% | 0.672 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -72 | -44.5 | 174.3 | -176.7 | 178.9 | 177.9 | 178.7 | -0.6 | 111.9 | T201 L202 L203 R208 M209 | T201-R205 WeakPolarHBondContact O-CB 3.46Å; T201-R205 PolarHBondContact O-N 2.82Å; L202-R205 WeakPolarHBondContact O-CB 3.22Å; L202-R205 PolarHBondContact O-N 2.99Å; L202-R205 VanDerWaalsContact O-N 3.15Å; L203-R205 PolarHBondContact O-N 3.4Å; R205-R208 PolarHBondContact O-N 3.04Å; R205-M209 WeakPolarHBondContact O-CB 3.39Å; R205-M209 PolarHBondContact O-N 3.09Å |
| 206 | I | 95.8 | Very high | 93.1 | Very high | 94 Ų | 94 | 107.9 Ų | 107.9 | 48% | 0.482 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.1 | -48.2 | 175.7 | -69.6 | 165.5 | 0 | 0 | 0 | 109.6 | L202 L203 R208 M209 E210 | L202-I206 WeakPolarHBondContact O-CG1 3.42Å; L202-I206 PolarHBondContact O-N 3.43Å; L203-I206 PolarHBondContact O-N 2.89Å; L203-I206 VanDerWaalsContact O-N 3.16Å; I206-R208 PolarHBondContact O-N 3.01Å; I206-M209 CarbonylContact O-C 3.54Å; I206-M209 WeakPolarHBondContact O-CA 3.32Å; I206-M209 WeakPolarHBondContact O-CB 3.41Å; I206-M209 PolarHBondContact O-N 3.49Å; I206-E210 WeakPolarHBondContact O-CB 3.33Å; I206-E210 PolarHBondContact O-N 3.04Å |
| 207 | E | 97 | Very high | 91.7 | Very high | 91 Ų | 91 | 111.7 Ų | 111.7 | 43% | 0.425 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.1 | -39.9 | -179.9 | -165.1 | -153.5 | -161 | 0 | 0 | 112.2 | L203 E210 R211 | L203-E207 VanDerWaalsContact O-CB 3.3Å; L203-E207 WeakPolarHBondContact O-CB 3.37Å; L203-E207 PolarHBondContact O-N 2.86Å; E207-E210 PolarHBondContact O-N 3.27Å; E207-R211 VanDerWaalsContact CD-CZ 3.41Å; E207-R211 WeakPolarHBondContact O-CG 3.47Å; E207-R211 PolarHBondContact O-N 3.49Å; E207-R211 IonicContact OE1-CZ 2.65Å; E207-R211 IonicContact OE1-NH1 2.75Å; E207-R211 PolarHBondContact OE1-NH1 3.25Å; E207-R211 IonicContact OE1-NH2 3.21Å; E207-R211 PolarHBondContact OE1-NH2 2.98Å; E207-R211 IonicContact OE2-CZ 2.74Å; E207-R211 IonicContact OE2-NH1 2.61Å; E207-R211 PolarHBondContact OE2-NH1 3.12Å; E207-R211 IonicContact OE2-NH2 3.79Å; E207-R211 PolarHBondContact OE2-NH2 3.33Å |
| 208 | R | 96 | Very high | 89.9 | Confident | 151 Ų | 151 | 117.9 Ų | 117.9 | 57% | 0.57 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -63.9 | -40.5 | 169.9 | -76 | -173 | -147.8 | 89.4 | -13.2 | 112.7 | A204 R205 I206 E210 R212 | A204-R208 WeakPolarHBondContact O-CG 3.47Å; A204-R208 PolarHBondContact O-N 2.94Å; A204-R208 VanDerWaalsContact O-N 3.15Å; A204-R208 PolarHBondContact O-NH1 2.89Å; R205-R208 PolarHBondContact O-N 3.04Å; I206-R208 PolarHBondContact O-N 3.01Å; R208-E210 VanDerWaalsContact C-N 3.33Å; R208-R212 WeakPolarHBondContact O-CG 3.29Å; R208-R212 PolarHBondContact O-N 3.49Å; R208-R212 VanDerWaalsContact O-N 3.13Å |
| 209 | M | 93.9 | Very high | 87.6 | Confident | 128 Ų | 128 | 118.9 Ų | 118.9 | 63% | 0.631 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -66.5 | -38.5 | 177.5 | -175.6 | 174.8 | 68.5 | 0 | 0 | 111.1 | R205 I206 R212 L213 | R205-M209 WeakPolarHBondContact O-CB 3.39Å; R205-M209 PolarHBondContact O-N 3.09Å; I206-M209 CarbonylContact O-C 3.54Å; I206-M209 WeakPolarHBondContact O-CA 3.32Å; I206-M209 WeakPolarHBondContact O-CB 3.41Å; I206-M209 PolarHBondContact O-N 3.49Å; M209-R212 PolarHBondContact O-N 3.14Å; M209-L213 PolarHBondContact O-N 3.46Å |
| 210 | E | 92.8 | Very high | 85 | Confident | 96 Ų | 96 | 116.3 Ų | 116.3 | 45% | 0.449 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -66.9 | -47.5 | 176.5 | -163.4 | -169.6 | 157.5 | 0 | 0 | 111.1 | I206 E207 R208 R212 L213 Q214 | I206-E210 WeakPolarHBondContact O-CB 3.33Å; I206-E210 PolarHBondContact O-N 3.04Å; E207-E210 PolarHBondContact O-N 3.27Å; R208-E210 VanDerWaalsContact C-N 3.33Å; E210-R212 PolarHBondContact O-N 3.38Å; E210-L213 CarbonylContact O-C 3.56Å; E210-L213 WeakPolarHBondContact O-CA 3.47Å; E210-L213 WeakPolarHBondContact O-CB 3.46Å; E210-L213 PolarHBondContact O-N 2.87Å; E210-Q214 HydrophobicContact CG-CG 4.33Å; E210-Q214 WeakPolarHBondContact O-CB 3.49Å; E210-Q214 WeakPolarHBondContact O-CG 3.36Å; E210-Q214 PolarHBondContact O-N 2.81Å; E210-Q214 PolarHBondContact OE1-NE2 3.26Å |
| 211 | R | 95.2 | Very high | 82.7 | Confident | 124 Ų | 124 | 114.7 Ų | 114.7 | 47% | 0.468 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -54 | -41.8 | 172.5 | -74.1 | -174.8 | -175.6 | 102.1 | 0.6 | 112 | E207 Q214 L215 | E207-R211 VanDerWaalsContact CD-CZ 3.41Å; E207-R211 WeakPolarHBondContact O-CG 3.47Å; E207-R211 PolarHBondContact O-N 3.49Å; E207-R211 IonicContact OE1-CZ 2.65Å; E207-R211 IonicContact OE1-NH1 2.75Å; E207-R211 PolarHBondContact OE1-NH1 3.25Å; E207-R211 IonicContact OE1-NH2 3.21Å; E207-R211 PolarHBondContact OE1-NH2 2.98Å; E207-R211 IonicContact OE2-CZ 2.74Å; E207-R211 IonicContact OE2-NH1 2.61Å; E207-R211 PolarHBondContact OE2-NH1 3.12Å; E207-R211 IonicContact OE2-NH2 3.79Å; E207-R211 PolarHBondContact OE2-NH2 3.33Å; R211-Q214 PolarHBondContact O-N 2.95Å; R211-L215 WeakPolarHBondContact O-CB 3.31Å; R211-L215 WeakPolarHBondContact O-CG 3.48Å; R211-L215 PolarHBondContact O-N 2.88Å |
| 212 | R | 93.4 | Very high | 80.2 | Confident | 186 Ų | 186 | 120.4 Ų | 120.4 | 70% | 0.702 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -65.5 | -38.4 | 174.8 | -71.2 | 176.6 | 67.8 | -171.7 | 1.4 | 112.8 | R208 M209 E210 T216 | R208-R212 WeakPolarHBondContact O-CG 3.29Å; R208-R212 PolarHBondContact O-N 3.49Å; R208-R212 VanDerWaalsContact O-N 3.13Å; M209-R212 PolarHBondContact O-N 3.14Å; E210-R212 PolarHBondContact O-N 3.38Å; R212-T216 WeakPolarHBondContact O-CB 3.39Å; R212-T216 PolarHBondContact O-N 3.02Å; R212-T216 PolarHBondContact O-OG1 3.45Å |
| 213 | L | 87.9 | Confident | 77.7 | Confident | 91 Ų | 91 | 121.4 Ų | 121.4 | 48% | 0.476 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -69.9 | -40.3 | 176.3 | -176.9 | 64.3 | 0 | 0 | 0 | 111.8 | M209 E210 T216 R217 | M209-L213 PolarHBondContact O-N 3.46Å; E210-L213 CarbonylContact O-C 3.56Å; E210-L213 WeakPolarHBondContact O-CA 3.47Å; E210-L213 WeakPolarHBondContact O-CB 3.46Å; E210-L213 PolarHBondContact O-N 2.87Å; L213-T216 PolarHBondContact O-N 3.41Å; L213-R217 WeakPolarHBondContact O-CB 3.26Å; L213-R217 WeakPolarHBondContact O-CG 3.48Å; L213-R217 PolarHBondContact O-N 2.84Å |
| 214 | Q | 84.1 | Confident | 75.4 | Confident | 105 Ų | 105 | 124 Ų | 124 | 49% | 0.491 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -63.9 | -44.5 | 175 | -70.7 | -177.7 | 14 | 0 | 0 | 110.9 | E210 R211 R217 K218 | E210-Q214 HydrophobicContact CG-CG 4.33Å; E210-Q214 WeakPolarHBondContact O-CB 3.49Å; E210-Q214 WeakPolarHBondContact O-CG 3.36Å; E210-Q214 PolarHBondContact O-N 2.81Å; E210-Q214 PolarHBondContact OE1-NE2 3.26Å; R211-Q214 PolarHBondContact O-N 2.95Å; Q214-R217 PolarHBondContact O-N 3Å; Q214-K218 WeakPolarHBondContact O-CB 3.47Å; Q214-K218 PolarHBondContact O-N 3.45Å |
| 215 | L | 74.5 | Confident | 72.9 | Confident | 100 Ų | 100 | 133.7 Ų | 133.7 | 52% | 0.524 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -58.4 | -50.6 | 170.5 | -73.4 | 170.9 | 0 | 0 | 0 | 111 | R211 R217 K218 D219 | R211-L215 WeakPolarHBondContact O-CB 3.31Å; R211-L215 WeakPolarHBondContact O-CG 3.48Å; R211-L215 PolarHBondContact O-N 2.88Å; L215-R217 PolarHBondContact O-N 2.88Å; L215-R217 VanDerWaalsContact O-N 3.14Å; L215-K218 CarbonylContact O-C 3.6Å; L215-K218 WeakPolarHBondContact O-CA 3.45Å; L215-K218 PolarHBondContact O-N 3.15Å; L215-D219 WeakPolarHBondContact O-CB 3.49Å; L215-D219 VanDerWaalsContact O-CG 3.28Å; L215-D219 PolarHBondContact O-N 3.39Å |
| 216 | T | 68.7 | Low | 70.4 | Confident | 86 Ų | 86 | 130.9 Ų | 130.9 | 53% | 0.528 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -56.5 | -35.5 | 176.5 | -51.1 | 0 | 0 | 0 | 0 | 112.7 | R212 L213 T220 | R212-T216 WeakPolarHBondContact O-CB 3.39Å; R212-T216 PolarHBondContact O-N 3.02Å; R212-T216 PolarHBondContact O-OG1 3.45Å; L213-T216 PolarHBondContact O-N 3.41Å; T216-T220 PolarHBondContact O-N 2.98Å; T216-T220 VanDerWaalsContact O-N 3.07Å; T216-T220 PolarHBondContact O-OG1 3.49Å |
| 217 | R | 67.7 | Low | 67.8 | Low | 187 Ų | 187 | 135.7 Ų | 135.7 | 71% | 0.706 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -75.4 | -19 | 175 | -75.9 | 180 | 175 | -172.7 | -0.9 | 114.3 | L213 Q214 L215 | L213-R217 WeakPolarHBondContact O-CB 3.26Å; L213-R217 WeakPolarHBondContact O-CG 3.48Å; L213-R217 PolarHBondContact O-N 2.84Å; Q214-R217 PolarHBondContact O-N 3Å; L215-R217 PolarHBondContact O-N 2.88Å; L215-R217 VanDerWaalsContact O-N 3.14Å |
| 218 | K | 60.9 | Low | 65 | Low | 179 Ų | 179 | 138.9 Ų | 138.9 | 78% | 0.778 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -99.7 | -31.1 | -178.8 | -149.1 | 163.3 | -175 | 176.9 | 0 | 111.9 | Q214 L215 | Q214-K218 WeakPolarHBondContact O-CB 3.47Å; Q214-K218 PolarHBondContact O-N 3.45Å; L215-K218 CarbonylContact O-C 3.6Å; L215-K218 WeakPolarHBondContact O-CA 3.45Å; L215-K218 PolarHBondContact O-N 3.15Å |
| 219 | D | 48.7 | Very low | 62.3 | Low | 121 Ų | 121 | 137.3 Ų | 137.3 | 65% | 0.647 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -84.8 | -8.1 | 171.3 | -59.2 | -31.2 | 0 | 0 | 0 | 113 | L215 P221 | L215-D219 WeakPolarHBondContact O-CB 3.49Å; L215-D219 VanDerWaalsContact O-CG 3.28Å; L215-D219 PolarHBondContact O-N 3.39Å; D219-P221 WeakPolarHBondContact O-CD 3.49Å |
| 220 | T | 42.5 | Very low | 59.7 | Low | 84 Ų | 84 | 139.4 Ų | 139.4 | 52% | 0.515 | 66% | 0.655 | S | S | . | * | S | Bend | trans | -74 | 103.5 | 151.3 | -54.4 | 0 | 0 | 0 | 0 | 105.4 | T216 R222 | T216-T220 PolarHBondContact O-N 2.98Å; T216-T220 VanDerWaalsContact O-N 3.07Å; T216-T220 PolarHBondContact O-OG1 3.49Å; T220-R222 PolarHBondContact O-N 2.98Å |
| 221 | P | 50.2 | Low | 57.4 | Low | 104 Ų | 104 | 143 Ų | 143 | 68% | 0.675 | 67% | 0.672 | S | S | * | * | trans | -57.7 | 121.5 | 173.1 | 26.6 | -34 | 0 | 0 | 0 | 106.3 | D219 D223 | D219-P221 WeakPolarHBondContact O-CD 3.49Å; P221-D223 PolarHBondContact O-N 3.3Å | ||
| 222 | R | 45.9 | Very low | 54.7 | Low | 202 Ų | 202 | 142.1 Ų | 142.1 | 76% | 0.762 | 68% | 0.682 | S | S | * | * | trans | -56.1 | 121.6 | 168.8 | -71.5 | -169.5 | -81.5 | -164.2 | -7.3 | 105.4 | T220 K224 | T220-R222 PolarHBondContact O-N 2.98Å; R222-K224 HydrophobicContact CB-CD 4.45Å; R222-K224 HydrophobicContact CB-CG 4Å; R222-K224 PolarHBondContact O-N 2.87Å | ||
| 223 | D | 44.8 | Very low | 51.9 | Low | 115 Ų | 115 | 144 Ų | 144 | 62% | 0.615 | 69% | 0.69 | S | S | * | * | trans | -74.8 | 52.6 | -169.4 | -144.9 | -8.7 | 0 | 0 | 0 | 111.3 | P221 R225 | P221-D223 PolarHBondContact O-N 3.3Å; D223-R225 PolarHBondContact O-N 2.91Å | ||
| 224 | K | 48.4 | Very low | 49.5 | Very low | 150 Ų | 150 | 145.4 Ų | 145.4 | 65% | 0.652 | 70% | 0.702 | S | S | * | * | G | 310 helix | trans | -82.8 | 0.7 | -178.3 | -64.1 | -165.6 | 171 | -153.4 | 0 | 112.3 | R222 L226 | R222-K224 HydrophobicContact CB-CD 4.45Å; R222-K224 HydrophobicContact CB-CG 4Å; R222-K224 PolarHBondContact O-N 2.87Å; K224-L226 VanDerWaalsContact C-N 3.31Å |
| 225 | R | 44.8 | Very low | 47.5 | Very low | 235 Ų | 235 | 144.3 Ų | 144.3 | 89% | 0.887 | 70% | 0.704 | S | S | * | * | G | 310 helix | trans | -85 | -3.9 | 172.8 | -74.2 | -174.5 | 174.2 | 167.7 | -2.8 | 113.1 | D223 F227 | D223-R225 PolarHBondContact O-N 2.91Å; R225-F227 VanDerWaalsContact C-N 3.34Å |
| 226 | L | 45.4 | Very low | 45.6 | Very low | 120 Ų | 120 | 146.4 Ų | 146.4 | 63% | 0.628 | 72% | 0.716 | S | S | * | * | G | 310 helix | trans | -84.1 | -7.5 | 173.1 | -63.5 | 177.3 | 0 | 0 | 0 | 113.6 | K224 | K224-L226 VanDerWaalsContact C-N 3.31Š|
| 227 | F | 40 | Very low | 44.5 | Very low | 195 Ų | 195 | 151.8 Ų | 151.8 | 86% | 0.855 | 73% | 0.732 | S | S | * | * | trans | -137.9 | 72.7 | 175.9 | -69.6 | -78 | 0 | 0 | 0 | 111.1 | R225 | R225-F227 VanDerWaalsContact C-N 3.34Š| ||
| 228 | Q | 38.3 | Very low | 43.4 | Very low | 157 Ų | 157 | 150.5 Ų | 150.5 | 73% | 0.734 | 73% | 0.734 | S | S | * | * | trans | -120.7 | 120.2 | 154.4 | -174.6 | 171.9 | 8.3 | 0 | 0 | 106.4 | L230 | Q228-L230 PolarHBondContact O-N 3.38Š| ||
| 229 | P | 40.9 | Very low | 42.8 | Very low | 119 Ų | 119 | 150.3 Ų | 150.3 | 77% | 0.773 | 74% | 0.742 | S | S | * | * | trans | -55 | 136.1 | 169.3 | -24.9 | 35.2 | 0 | 0 | 0 | 109.8 | E231 | P229-E231 PolarHBondContact O-N 3.3Å; P229-E231 VanDerWaalsContact O-N 3.12Å | ||
| 230 | L | 38.4 | Very low | 42.2 | Very low | 172 Ų | 172 | 152.1 Ų | 152.1 | 90% | 0.901 | 75% | 0.748 | S | S | * | * | trans | -65 | 110.3 | -179.9 | -74.8 | 150.6 | 0 | 0 | 0 | 109.8 | Q228 | Q228-L230 PolarHBondContact O-N 3.38Š| ||
| 231 | E | 44.5 | Very low | 42.1 | Very low | 170 Ų | 170 | 160 Ų | 160 | 79% | 0.794 | 77% | 0.768 | S | S | * | * | trans | -61.2 | 132.7 | 156.5 | -95.8 | -101.3 | 119.7 | 0 | 0 | 108.4 | P229 W233 | P229-E231 PolarHBondContact O-N 3.3Å; P229-E231 VanDerWaalsContact O-N 3.12Å; E231-W233 PolarHBondContact O-N 2.95Å | ||
| 232 | P | 38.6 | Very low | 41.4 | Very low | 106 Ų | 106 | 163 Ų | 163 | 69% | 0.688 | 78% | 0.779 | S | S | * | * | trans | -57.6 | 122.2 | 175.8 | -25.7 | 35.3 | 0 | 0 | 0 | 111.6 | T234 | P232-T234 PolarHBondContact O-N 2.86Š| ||
| 233 | W | 35.4 | Very low | 41.1 | Very low | 226 Ų | 226 | 160.2 Ų | 160.2 | 86% | 0.856 | 78% | 0.778 | S | S | * | * | trans | -70.3 | 98.7 | -178.4 | -162 | 79 | 0 | 0 | 0 | 110.5 | E231 P235 | E231-W233 PolarHBondContact O-N 2.95Å; W233-P235 HydrophobicContact CE3-CB 4.18Å; W233-P235 HydrophobicContact CE3-CG 3.85Å; W233-P235 HydrophobicContact CH2-CB 4.11Å; W233-P235 HydrophobicContact CZ3-CB 3.62Å; W233-P235 HydrophobicContact CZ3-CG 3.62Å; W233-P235 WeakPolarHBondContact O-CD 3.35Å | ||
| 234 | T | 37.4 | Very low | 40.6 | Very low | 120 Ų | 120 | 162.8 Ų | 162.8 | 74% | 0.736 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 118.8 | 164 | 49.4 | 0 | 0 | 0 | 0 | 109 | P232 D236 | P232-T234 PolarHBondContact O-N 2.86Å; T234-D236 PolarHBondContact O-N 3.36Å |
| 235 | P | 42.1 | Very low | 40.2 | Very low | 82 Ų | 82 | 162.7 Ų | 162.7 | 53% | 0.532 | 80% | 0.797 | S | S | . | * | P | Polyproline II helix | trans | -67.7 | 116.3 | 175 | -10.2 | 23.9 | 0 | 0 | 0 | 109.3 | W233 | W233-P235 HydrophobicContact CE3-CB 4.18Å; W233-P235 HydrophobicContact CE3-CG 3.85Å; W233-P235 HydrophobicContact CH2-CB 4.11Å; W233-P235 HydrophobicContact CZ3-CB 3.62Å; W233-P235 HydrophobicContact CZ3-CG 3.62Å; W233-P235 WeakPolarHBondContact O-CD 3.35Å |
| 236 | D | 34.1 | Very low | 39.6 | Very low | 145 Ų | 145 | 160.8 Ų | 160.8 | 78% | 0.775 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 141.5 | 169.2 | -135.5 | -17.8 | 0 | 0 | 0 | 109.6 | T234 | T234-D236 PolarHBondContact O-N 3.36Š|
| 237 | K | 45.4 | Very low | 38.8 | Very low | 198 Ų | 198 | 163.4 Ų | 163.4 | 86% | 0.861 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -107.4 | 50.8 | -160 | -66.5 | -176.3 | -179 | 175.3 | 0 | 113.6 | ||
| 238 | E | 44.7 | Very low | 38.3 | Very low | 161 Ų | 161 | 159.2 Ų | 159.2 | 75% | 0.752 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -153.1 | 137.9 | 174.4 | 34.9 | -157.1 | 172.3 | 0 | 0 | 109.6 | ||
| 239 | D | 47.6 | Very low | 38.4 | Very low | 175 Ų | 175 | 157.3 Ų | 157.3 | 94% | 0.936 | 80% | 0.804 | S | S | * | * | S | Bend | trans | 96.1 | 25.5 | -169.9 | -60.5 | -14.1 | 0 | 0 | 0 | 118.7 | ||
| 240 | M | 37.6 | Very low | 38 | Very low | 159 Ų | 159 | 159.3 Ų | 159.3 | 78% | 0.783 | 80% | 0.803 | S | S | * | * | trans | -135.3 | 45.5 | 171.5 | -157.2 | -179.6 | 67.2 | 0 | 0 | 115.1 | ||||
| 241 | W | 39.1 | Very low | 38 | Very low | 248 Ų | 248 | 156.3 Ų | 156.3 | 94% | 0.939 | 79% | 0.793 | S | S | * | * | trans | -150.2 | 87.8 | 158.1 | -67.6 | 106.7 | 0 | 0 | 0 | 110.1 | ||||
| 242 | D | 36.8 | Very low | 37.3 | Very low | 168 Ų | 168 | 154.8 Ų | 154.8 | 90% | 0.898 | 79% | 0.791 | S | S | * | * | trans | -148.4 | 69.1 | 157.5 | -135.7 | 5.4 | 0 | 0 | 0 | 108.7 | ||||
| 243 | L | 38.9 | Very low | 37.2 | Very low | 143 Ų | 143 | 156.9 Ų | 156.9 | 75% | 0.749 | 80% | 0.801 | S | S | * | * | trans | -140.6 | 76.6 | 177.8 | -110 | 174.1 | 0 | 0 | 0 | 108 | ||||
| 244 | D | 33.1 | Very low | 37 | Very low | 170 Ų | 170 | 149.9 Ų | 149.9 | 91% | 0.909 | 79% | 0.792 | S | S | * | * | trans | -81.9 | 125.9 | 157.2 | -89.7 | -20.9 | 0 | 0 | 0 | 108.5 | ||||
| 245 | I | 41.5 | Very low | 36.8 | Very low | 148 Ų | 148 | 150.4 Ų | 150.4 | 76% | 0.759 | 80% | 0.795 | S | S | * | * | trans | -136.3 | 113.3 | -179.3 | -153.6 | 171.2 | 0 | 0 | 0 | 109.2 | ||||
| 246 | E | 30.9 | Very low | 37 | Very low | 194 Ų | 194 | 151.5 Ų | 151.5 | 91% | 0.907 | 80% | 0.802 | S | S | * | * | trans | -171.8 | 154.8 | 167.4 | -118.4 | -175.7 | 165 | 0 | 0 | 108.5 | ||||
| 247 | E | 30.3 | Very low | 37 | Very low | 175 Ų | 175 | 152 Ų | 152 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | -159.8 | 124.9 | -71 | 164.4 | 168.6 | -177.7 | 0 | 0 | 106.2 | |||||
| 248 | S | 28.7 | Very low | 37.1 | Very low | 108 Ų | 108 | 147.6 Ų | 147.6 | 76% | 0.755 | 80% | 0.796 | S | S | * | * | trans | 69.7 | 161.2 | 164 | -127.5 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 249 | P | 39.8 | Very low | 36.6 | Very low | 116 Ų | 116 | 149.8 Ų | 149.8 | 75% | 0.753 | 80% | 0.803 | S | S | * | * | cis | -127.1 | 173.5 | -4.8 | 38.5 | -21.7 | 0 | 0 | 0 | 116.4 | ||||
| 250 | Q | 32.9 | Very low | 36.1 | Very low | 161 Ų | 161 | 147 Ų | 147 | 75% | 0.752 | 80% | 0.797 | S | S | * | * | trans | -57.4 | 152.7 | 171.1 | -92.4 | -78.7 | -44.1 | 0 | 0 | 114.5 | N252 | Q250-N252 VanDerWaalsContact OE1-N 3.1Š| ||
| 251 | P | 38 | Very low | 36.2 | Very low | 109 Ų | 109 | 151.3 Ų | 151.3 | 71% | 0.708 | 81% | 0.805 | S | S | * | * | -150.7 | 140.6 | 92.3 | 36.9 | -18.3 | 0 | 0 | 0 | 119 | |||||
| 252 | N | 31.4 | Very low | 35.8 | Very low | 138 Ų | 138 | 143.5 Ų | 143.5 | 74% | 0.738 | 80% | 0.802 | S | S | * | * | trans | 36.2 | 122.6 | 136.3 | -61.5 | -51.9 | 0 | 0 | 0 | 122.2 | Q250 | Q250-N252 VanDerWaalsContact OE1-N 3.1Š| ||
| 253 | V | 34.8 | Very low | 35.7 | Very low | 150 Ų | 150 | 139.1 Ų | 139.1 | 91% | 0.909 | 80% | 0.796 | S | S | * | * | -150.6 | 146.8 | 116.8 | -170.5 | 0 | 0 | 0 | 0 | 110 | |||||
| 254 | A | 31.9 | Very low | 35.8 | Very low | 79 Ų | 79 | 142.6 Ų | 142.6 | 65% | 0.653 | 81% | 0.805 | S | S | * | * | trans | -77 | -178.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 255 | T | 33.3 | Very low | 36 | Very low | 132 Ų | 132 | 138.3 Ų | 138.3 | 81% | 0.81 | 80% | 0.801 | S | S | * | * | cis | -165.2 | -177.1 | 32.2 | -10.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 256 | P | 45.6 | Very low | 35.8 | Very low | 105 Ų | 105 | 140.9 Ų | 140.9 | 68% | 0.682 | 81% | 0.81 | S | S | * | * | trans | -132.6 | -160 | -132.4 | 34.3 | -8.4 | 0 | 0 | 0 | 116.4 | ||||
| 257 | L | 34 | Very low | 36.2 | Very low | 156 Ų | 156 | 140.3 Ų | 140.3 | 82% | 0.817 | 80% | 0.804 | S | S | * | * | trans | 99.4 | 150 | 158.5 | -58.2 | 167.4 | 0 | 0 | 0 | 118.3 | ||||
| 258 | P | 47.6 | Very low | 37.3 | Very low | 105 Ų | 105 | 143.8 Ų | 143.8 | 68% | 0.682 | 81% | 0.81 | S | S | * | * | cis | -137.8 | 157.7 | -36.7 | 37.1 | -21.4 | 0 | 0 | 0 | 115.5 | ||||
| 259 | F | 35.6 | Very low | 38.1 | Very low | 206 Ų | 206 | 147.5 Ų | 147.5 | 90% | 0.904 | 81% | 0.813 | S | S | * | * | trans | -63.9 | 155.4 | 155.5 | -107.1 | -107.5 | 0 | 0 | 0 | 111.1 | ||||
| 260 | S | 36.2 | Very low | 37.7 | Very low | 117 Ų | 117 | 148.8 Ų | 148.8 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | trans | -141.3 | 132.3 | 163.1 | -83.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 261 | R | 38.8 | Very low | 38.2 | Very low | 249 Ų | 249 | 146.6 Ų | 146.6 | 94% | 0.94 | 82% | 0.82 | S | S | * | * | trans | -127.3 | 114.5 | -170.9 | -170.1 | -172.8 | -153.4 | -148.7 | 8.3 | 111.2 | ||||
| 262 | G | 31.1 | Very low | 37.8 | Very low | 85 Ų | 85 | 151.8 Ų | 151.8 | 88% | 0.876 | 83% | 0.831 | S | S | * | * | trans | 84.7 | 158.3 | 153.2 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 263 | G | 35.3 | Very low | 37.9 | Very low | 75 Ų | 75 | 148.7 Ų | 148.7 | 77% | 0.773 | 83% | 0.832 | S | S | * | * | trans | 140.4 | 79.4 | 157.4 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 264 | K | 41.7 | Very low | 37.7 | Very low | 216 Ų | 216 | 148.5 Ų | 148.5 | 94% | 0.939 | 83% | 0.826 | S | S | * | * | trans | 51.4 | 121.1 | 143.4 | -64 | -179.9 | 179.2 | 176.5 | 0 | 120.3 | ||||
| 265 | G | 36 | Very low | 37.8 | Very low | 80 Ų | 80 | 149 Ų | 149 | 83% | 0.825 | 83% | 0.829 | S | S | * | * | trans | -73.6 | -173.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 266 | Q | 38 | Very low | 37.9 | Very low | 202 Ų | 202 | 151.4 Ų | 151.4 | 94% | 0.944 | 83% | 0.829 | S | S | * | * | trans | -146.2 | 150.6 | 171 | -125.1 | 176.9 | 1.3 | 0 | 0 | 112.3 | ||||
| 267 | K | 39.9 | Very low | 37.5 | Very low | 183 Ų | 183 | 152.7 Ų | 152.7 | 80% | 0.796 | 83% | 0.834 | S | S | * | * | trans | -83.2 | 138.1 | -175.3 | -63.1 | 173.4 | 177.3 | 173 | 0 | 112.1 | ||||
| 268 | R | 52.9 | Low | 37.6 | Very low | 247 Ų | 247 | 152.9 Ų | 152.9 | 93% | 0.932 | 83% | 0.831 | S | S | * | * | trans | -136.3 | 107.3 | 144.1 | -55.4 | -176.3 | 86.3 | 172.3 | 4.9 | 104.9 | ||||
| 269 | K | 45 | Very low | 36.9 | Very low | 187 Ų | 187 | 155.6 Ų | 155.6 | 81% | 0.813 | 83% | 0.832 | S | S | * | * | 53.9 | 84.8 | 51.9 | -79.6 | -127.7 | -179.4 | -176.6 | 0 | 113.3 | |||||
| 270 | T | 31.6 | Very low | 37 | Very low | 143 Ų | 143 | 151.2 Ų | 151.2 | 88% | 0.877 | 83% | 0.827 | S | S | * | * | trans | -140.9 | 118.1 | 142.3 | 40.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 271 | C | 42.7 | Very low | 36.8 | Very low | 115 Ų | 115 | 155.9 Ų | 155.9 | 78% | 0.777 | 83% | 0.827 | S | S | * | * | trans | -136.2 | 117.7 | 169.4 | -57 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 272 | F | 31.2 | Very low | 36.4 | Very low | 218 Ų | 218 | 147.9 Ų | 147.9 | 96% | 0.956 | 82% | 0.821 | S | S | * | * | trans | -163 | 129.8 | 157.2 | -86.2 | -75.8 | 0 | 0 | 0 | 103.3 | ||||
| 273 | G | 33.6 | Very low | 36.9 | Very low | 72 Ų | 72 | 152.7 Ų | 152.7 | 74% | 0.742 | 82% | 0.818 | S | S | * | * | cis | 96.5 | 137.2 | 28.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 274 | N | 29.4 | Very low | 36.7 | Very low | 147 Ų | 147 | 155.1 Ų | 155.1 | 79% | 0.786 | 82% | 0.823 | S | S | * | * | cis | -172.8 | 144.1 | -0 | -174.5 | -1.5 | 0 | 0 | 0 | 109.4 | ||||
| 275 | A | 34.9 | Very low | 36.2 | Very low | 88 Ų | 88 | 149.5 Ų | 149.5 | 73% | 0.727 | 82% | 0.817 | S | S | * | * | trans | -155.7 | 104.1 | 160.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 276 | K | 34.1 | Very low | 36 | Very low | 184 Ų | 184 | 155.4 Ų | 155.4 | 80% | 0.8 | 82% | 0.82 | S | S | * | * | 53.4 | 120 | 89.8 | -61.5 | -179.6 | -178.6 | 179 | 0 | 111.2 | |||||
| 277 | V | 37.5 | Very low | 35.8 | Very low | 132 Ų | 132 | 154.4 Ų | 154.4 | 80% | 0.8 | 82% | 0.82 | S | S | * | * | cis | -154.9 | 126.7 | 44.7 | 171.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 278 | Q | 35.6 | Very low | 35.2 | Very low | 160 Ų | 160 | 151 Ų | 151 | 75% | 0.748 | 82% | 0.819 | S | S | * | * | 41.5 | 150.7 | 108.2 | -68.2 | -142.6 | 13.3 | 0 | 0 | 119.5 | |||||
| 279 | K | 34.8 | Very low | 34.9 | Very low | 162 Ų | 162 | 144.6 Ų | 144.6 | 70% | 0.704 | 81% | 0.81 | S | S | * | * | cis | 175.8 | 125.5 | -18.5 | 172.9 | -178.3 | -178.2 | -179.3 | 0 | 110.9 | ||||
| 280 | S | 35.7 | Very low | 34 | Very low | 114 Ų | 114 | 144.7 Ų | 144.7 | 80% | 0.797 | 81% | 0.813 | S | S | * | * | trans | -172.2 | 114.1 | 150.5 | 46.5 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 281 | R | 33.5 | Very low | 34 | Very low | 215 Ų | 215 | 146.8 Ų | 146.8 | 81% | 0.811 | 81% | 0.81 | S | S | * | * | 72.1 | 91.7 | 59.1 | -172 | 178 | 165.2 | 169.2 | -6.3 | 113.5 | |||||
| 282 | G | 30.3 | Very low | 33.3 | Very low | 80 Ų | 80 | 147.1 Ų | 147.1 | 83% | 0.825 | 81% | 0.814 | S | S | * | * | trans | -135.1 | 139.8 | 153.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 283 | K | 41.7 | Very low | 33.1 | Very low | 186 Ų | 186 | 145 Ų | 145 | 81% | 0.809 | 81% | 0.807 | S | S | * | * | trans | -120.9 | 133.4 | -176.4 | -76.4 | -177.2 | 173.5 | -174.6 | 0 | 110.8 | ||||
| 284 | S | 30.7 | Very low | 32.8 | Very low | 126 Ų | 126 | 148.6 Ų | 148.6 | 88% | 0.881 | 82% | 0.815 | S | S | * | * | trans | 178.7 | 167.5 | 148.3 | 50.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 285 | A | 30.9 | Very low | 33 | Very low | 98 Ų | 98 | 149.9 Ų | 149.9 | 81% | 0.81 | 82% | 0.816 | S | S | * | * | -144.3 | 151 | -56.8 | 0 | 0 | 0 | 0 | 0 | 106.7 | |||||
| 286 | K | 32.1 | Very low | 33.2 | Very low | 204 Ų | 204 | 151.2 Ų | 151.2 | 89% | 0.887 | 82% | 0.817 | S | S | * | * | trans | -73.5 | 141.2 | -178.4 | -63.1 | 178.4 | 176.9 | -178.2 | 0 | 111.1 | ||||
| 287 | L | 33.7 | Very low | 32.9 | Very low | 181 Ų | 181 | 145.6 Ų | 145.6 | 95% | 0.948 | 81% | 0.812 | S | S | * | * | trans | -142.6 | 149.7 | 131.6 | -78.2 | -172.2 | 0 | 0 | 0 | 110.9 | ||||
| 288 | S | 27.9 | Very low | 33 | Very low | 111 Ų | 111 | 145 Ų | 145 | 78% | 0.776 | 81% | 0.814 | S | S | * | * | trans | -161.8 | 160.7 | -176.8 | -171.9 | 0 | 0 | 0 | 0 | 104.3 | ||||
| 289 | P | 45.2 | Very low | 32.9 | Very low | 114 Ų | 114 | 143.3 Ų | 143.3 | 74% | 0.74 | 82% | 0.816 | S | S | * | * | cis | -124.1 | -173.5 | 15 | 43.1 | -24.6 | 0 | 0 | 0 | 112.1 | ||||
| 290 | Q | 27.1 | Very low | 32.8 | Very low | 188 Ų | 188 | 143 Ų | 143 | 88% | 0.879 | 82% | 0.822 | S | S | * | * | -167.9 | 153.6 | 72.6 | -172.4 | 167.1 | -33.8 | 0 | 0 | 111.4 | |||||
| 291 | K | 32.2 | Very low | 32.7 | Very low | 187 Ų | 187 | 146.5 Ų | 146.5 | 81% | 0.813 | 83% | 0.826 | S | S | * | * | trans | -91.9 | 153.8 | -179.9 | -71.3 | -178 | 169 | -168.2 | 0 | 112.9 | ||||
| 292 | S | 27.3 | Very low | 32.7 | Very low | 122 Ų | 122 | 146.5 Ų | 146.5 | 85% | 0.853 | 83% | 0.826 | S | S | * | * | trans | -149.9 | 145.5 | 135.8 | 49.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 293 | E | 26.9 | Very low | 32.8 | Very low | 175 Ų | 175 | 149.8 Ų | 149.8 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | trans | -92.5 | 146.5 | 179 | -69.4 | 161.5 | 122.7 | 0 | 0 | 111.1 | ||||
| 294 | T | 28.5 | Very low | 32.4 | Very low | 146 Ų | 146 | 148 Ų | 148 | 90% | 0.896 | 82% | 0.819 | S | S | * | * | trans | -162 | 148.1 | 141.4 | -62.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 295 | E | 33.7 | Very low | 32.3 | Very low | 175 Ų | 175 | 151.8 Ų | 151.8 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | trans | -70.7 | 174.4 | -174.2 | -88.5 | -74.5 | 113.3 | 0 | 0 | 114.8 | ||||
| 296 | P | 37.3 | Very low | 32.3 | Very low | 115 Ų | 115 | 152.6 Ų | 152.6 | 75% | 0.747 | 81% | 0.813 | S | S | * | * | trans | -89.4 | 136.4 | -145.5 | 33.5 | -37.4 | 0 | 0 | 0 | 116.4 | ||||
| 297 | G | 29.1 | Very low | 32.5 | Very low | 67 Ų | 67 | 151.1 Ų | 151.1 | 69% | 0.691 | 81% | 0.807 | S | S | * | * | trans | -116.8 | 131.6 | 163.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | P299 | G297-P299 WeakPolarHBondContact O-CD 3.14Š| ||
| 298 | S | 38.4 | Very low | 32.5 | Very low | 120 Ų | 120 | 149.1 Ų | 149.1 | 84% | 0.839 | 79% | 0.792 | S | S | * | * | trans | -73.3 | 126.6 | 178.3 | 178.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 299 | P | 34.1 | Very low | 32.7 | Very low | 123 Ų | 123 | 149.4 Ų | 149.4 | 80% | 0.799 | 79% | 0.79 | S | S | * | * | trans | -122.3 | 95.4 | 170.7 | 29.4 | -9.3 | 0 | 0 | 0 | 110.9 | G297 | G297-P299 WeakPolarHBondContact O-CD 3.14Š| ||
| 300 | N | 31.9 | Very low | 32.9 | Very low | 155 Ų | 155 | 149.1 Ų | 149.1 | 83% | 0.829 | 79% | 0.788 | S | S | * | * | trans | -105 | 76.4 | 171.4 | -161.8 | -9.6 | 0 | 0 | 0 | 109.9 | ||||
| 301 | Q | 34.5 | Very low | 33.2 | Very low | 188 Ų | 188 | 147.3 Ų | 147.3 | 88% | 0.879 | 78% | 0.78 | S | S | * | * | trans | -125.5 | 130.3 | 166 | -86.6 | -167.1 | -5.4 | 0 | 0 | 110.9 | ||||
| 302 | R | 33.1 | Very low | 33.2 | Very low | 216 Ų | 216 | 146.6 Ų | 146.6 | 82% | 0.815 | 78% | 0.776 | S | S | * | * | trans | -107.2 | 89.3 | -175.7 | -178.3 | -178.2 | -173.3 | 165.5 | 0.1 | 108.4 | L304 | R302-L304 PolarHBondContact O-N 3.33Å; R302-L304 VanDerWaalsContact O-N 3.11Å | ||
| 303 | E | 32.3 | Very low | 33.3 | Very low | 149 Ų | 149 | 145.3 Ų | 145.3 | 70% | 0.696 | 77% | 0.767 | S | S | * | * | trans | -61.7 | 112.5 | 169.2 | -76.6 | -167.3 | 145.4 | 0 | 0 | 109.9 | R305 | E303-R305 PolarHBondContact O-N 3.14Å; E303-R305 IonicContact OE2-CZ 3.78Å; E303-R305 IonicContact OE2-NH1 3.64Å; E303-R305 PolarHBondContact OE2-NH1 3Å; E303-R305 IonicContact OE2-NH2 2.7Å | ||
| 304 | L | 33.1 | Very low | 33.6 | Very low | 149 Ų | 149 | 143.4 Ų | 143.4 | 78% | 0.78 | 77% | 0.767 | S | S | * | * | trans | -79 | 99.4 | 166.5 | -70.6 | 173.7 | 0 | 0 | 0 | 108.7 | R302 S306 | R302-L304 PolarHBondContact O-N 3.33Å; R302-L304 VanDerWaalsContact O-N 3.11Å; L304-S306 PolarHBondContact O-N 3.48Å | ||
| 305 | R | 29.6 | Very low | 34.2 | Very low | 204 Ų | 204 | 142.1 Ų | 142.1 | 77% | 0.77 | 76% | 0.762 | S | S | * | * | trans | -77.2 | 116 | 165.2 | -83.2 | 179.1 | 167.2 | 63.7 | 7.3 | 110.1 | E303 | E303-R305 PolarHBondContact O-N 3.14Å; E303-R305 IonicContact OE2-CZ 3.78Å; E303-R305 IonicContact OE2-NH1 3.64Å; E303-R305 PolarHBondContact OE2-NH1 3Å; E303-R305 IonicContact OE2-NH2 2.7Å | ||
| 306 | S | 31.2 | Very low | 34 | Very low | 115 Ų | 115 | 138.4 Ų | 138.4 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | trans | -116.5 | 119.4 | 153.8 | 45.1 | 0 | 0 | 0 | 0 | 109.5 | L304 | L304-S306 PolarHBondContact O-N 3.48Š| ||
| 307 | K | 35.1 | Very low | 33.7 | Very low | 173 Ų | 173 | 144.3 Ų | 144.3 | 75% | 0.752 | 77% | 0.768 | S | S | * | * | trans | -130.4 | 110.7 | 165.3 | -80.8 | -63.3 | -156.9 | 160.1 | 0 | 104.3 | ||||
| 308 | E | 34.5 | Very low | 33.7 | Very low | 139 Ų | 139 | 146.8 Ų | 146.8 | 65% | 0.65 | 78% | 0.775 | S | S | * | * | 101.3 | 127.8 | 81 | -170.5 | -170.3 | 121.5 | 0 | 0 | 110 | |||||
| 309 | T | 32 | Very low | 33.1 | Very low | 118 Ų | 118 | 144.5 Ų | 144.5 | 72% | 0.724 | 77% | 0.77 | S | S | * | * | trans | 143.8 | 159.1 | 134.4 | 47.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 310 | P | 49.1 | Very low | 32.9 | Very low | 108 Ų | 108 | 143.3 Ų | 143.3 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | cis | -140.3 | -167.8 | -29.2 | 34.5 | -13.6 | 0 | 0 | 0 | 115 | ||||
| 311 | E | 32.7 | Very low | 32.7 | Very low | 150 Ų | 150 | 142.9 Ų | 142.9 | 70% | 0.701 | 76% | 0.764 | S | S | * | * | trans | 83.5 | 112.3 | 163.6 | -53.6 | -93.3 | 116.8 | 0 | 0 | 116.6 | ||||
| 312 | K | 33.2 | Very low | 32.8 | Very low | 171 Ų | 171 | 143.7 Ų | 143.7 | 74% | 0.743 | 76% | 0.759 | S | S | * | * | 99.5 | 126.5 | 64.2 | -172.1 | 175.4 | -172 | 177.4 | 0 | 110 | |||||
| 313 | S | 29.5 | Very low | 32.5 | Very low | 95 Ų | 95 | 140.9 Ų | 140.9 | 66% | 0.664 | 76% | 0.76 | S | S | * | * | cis | -164.9 | 144.9 | 25.1 | 50.6 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 314 | V | 32.8 | Very low | 32.5 | Very low | 135 Ų | 135 | 138.9 Ų | 138.9 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | trans | 63.3 | 141.2 | 130.3 | 174.8 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 315 | P | 40.9 | Very low | 32.6 | Very low | 120 Ų | 120 | 139.3 Ų | 139.3 | 78% | 0.779 | 77% | 0.771 | S | S | * | * | cis | -134.9 | -178.5 | -33.4 | 38.8 | -18.6 | 0 | 0 | 0 | 114.3 | ||||
| 316 | A | 28.7 | Very low | 32.7 | Very low | 97 Ų | 97 | 137 Ų | 137 | 80% | 0.802 | 77% | 0.773 | S | S | * | * | trans | -80.6 | 162.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 317 | R | 31 | Very low | 32.4 | Very low | 239 Ų | 239 | 138.4 Ų | 138.4 | 90% | 0.902 | 77% | 0.771 | S | S | * | * | trans | -144.1 | 145.4 | 144.9 | -75 | -162.9 | -179.8 | -171.7 | 1.9 | 110.9 | ||||
| 318 | S | 29.8 | Very low | 32 | Very low | 119 Ų | 119 | 136.2 Ų | 136.2 | 83% | 0.832 | 78% | 0.776 | S | S | * | * | trans | 29.9 | 138.4 | 152.5 | 56.6 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 319 | G | 26.5 | Very low | 31.8 | Very low | 71 Ų | 71 | 138 Ų | 138 | 73% | 0.732 | 78% | 0.782 | S | S | * | * | cis | 164 | -176.7 | 10.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 320 | A | 28.8 | Very low | 31.7 | Very low | 98 Ų | 98 | 140.3 Ų | 140.3 | 81% | 0.81 | 79% | 0.789 | S | S | * | * | trans | -57.9 | 165 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 321 | E | 29.4 | Very low | 30.9 | Very low | 147 Ų | 147 | 143.1 Ų | 143.1 | 69% | 0.687 | 79% | 0.793 | S | S | * | * | cis | -157.4 | 157.8 | 38.1 | -68.2 | -174.2 | 100.4 | 0 | 0 | 114 | ||||
| 322 | R | 34.8 | Very low | 31.5 | Very low | 205 Ų | 205 | 141.1 Ų | 141.1 | 77% | 0.774 | 79% | 0.793 | S | S | * | * | trans | 41.9 | 125.3 | 133.6 | -64.6 | 175.2 | -179.8 | 156.5 | -0.4 | 122.5 | ||||
| 323 | D | 27.8 | Very low | 31.4 | Very low | 157 Ų | 157 | 140.7 Ų | 140.7 | 84% | 0.84 | 79% | 0.794 | S | S | * | * | 34.9 | 114.2 | 116.8 | -63.3 | -44.1 | 0 | 0 | 0 | 119.9 | |||||
| 324 | A | 32.4 | Very low | 31.4 | Very low | 107 Ų | 107 | 144.7 Ų | 144.7 | 88% | 0.884 | 81% | 0.807 | S | S | * | * | trans | -151 | 138.2 | 139.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 325 | L | 34.2 | Very low | 31.2 | Very low | 157 Ų | 157 | 143.6 Ų | 143.6 | 82% | 0.822 | 81% | 0.805 | S | S | * | * | trans | -104.5 | 145.2 | -175.3 | -83.3 | 170.6 | 0 | 0 | 0 | 112.2 | ||||
| 326 | L | 31.4 | Very low | 30.5 | Very low | 155 Ų | 155 | 143.7 Ų | 143.7 | 81% | 0.812 | 81% | 0.807 | S | S | * | * | trans | 77.8 | 137.4 | 141 | -73.3 | 169.2 | 0 | 0 | 0 | 122.8 | ||||
| 327 | L | 26.6 | Very low | 30.9 | Very low | 146 Ų | 146 | 147 Ų | 147 | 76% | 0.764 | 81% | 0.806 | S | S | * | * | trans | 81.4 | 110.2 | 135.8 | -168.4 | 67 | 0 | 0 | 0 | 120 | ||||
| 328 | C | 26.9 | Very low | 31.1 | Very low | 126 Ų | 126 | 143.8 Ų | 143.8 | 85% | 0.851 | 80% | 0.803 | S | S | * | * | -151.4 | 147.1 | 113.3 | -108.1 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 329 | K | 29.6 | Very low | 31.8 | Very low | 178 Ų | 178 | 144.4 Ų | 144.4 | 77% | 0.774 | 79% | 0.793 | S | S | * | * | trans | -74.1 | 154.8 | 168.7 | -69.4 | 177.4 | 169.6 | -174.5 | 0 | 109.4 | ||||
| 330 | D | 29.4 | Very low | 33.2 | Very low | 165 Ų | 165 | 149 Ų | 149 | 88% | 0.882 | 80% | 0.801 | S | S | * | * | -157.5 | 134 | 115.7 | -89.5 | -29.2 | 0 | 0 | 0 | 110 | |||||
| 331 | E | 32.5 | Very low | 34.3 | Very low | 167 Ų | 167 | 149.8 Ų | 149.8 | 78% | 0.78 | 79% | 0.791 | S | S | * | * | trans | -135.6 | 141 | 172.6 | -94.2 | -70.7 | 140.6 | 0 | 0 | 103.7 | E333 | E331-E333 PolarHBondContact OE2-N 2.85Š| ||
| 332 | P | 44.5 | Very low | 35.8 | Very low | 108 Ų | 108 | 149 Ų | 149 | 70% | 0.701 | 80% | 0.798 | S | S | * | * | -149.4 | 147.1 | 81.6 | 36 | -16.7 | 0 | 0 | 0 | 117.8 | |||||
| 333 | E | 31.2 | Very low | 36.9 | Very low | 162 Ų | 162 | 146.8 Ų | 146.8 | 76% | 0.757 | 80% | 0.795 | S | S | * | * | trans | 68.4 | 102 | 133 | -67.3 | 171.9 | -176 | 0 | 0 | 119.1 | E331 | E331-E333 PolarHBondContact OE2-N 2.85Š| ||
| 334 | L | 30.6 | Very low | 38.2 | Very low | 180 Ų | 180 | 148.3 Ų | 148.3 | 94% | 0.942 | 80% | 0.799 | S | S | * | * | -135.1 | 118.1 | 113 | -81.7 | -174.4 | 0 | 0 | 0 | 110.4 | |||||
| 335 | S | 27.9 | Very low | 39.6 | Very low | 111 Ų | 111 | 148.6 Ų | 148.6 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | trans | -76.1 | 124.5 | 178.4 | 57.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 336 | C | 27 | Very low | 41 | Very low | 123 Ų | 123 | 145.1 Ų | 145.1 | 83% | 0.831 | 78% | 0.78 | S | S | * | * | trans | -131.6 | 101.8 | 150 | -86.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 337 | Q | 36.4 | Very low | 42.7 | Very low | 167 Ų | 167 | 145 Ų | 145 | 78% | 0.78 | 79% | 0.786 | S | S | * | * | trans | -64 | 132.7 | 160.9 | -71 | -173.7 | 104.5 | 0 | 0 | 108.1 | ||||
| 338 | M | 35.8 | Very low | 44.3 | Very low | 170 Ų | 170 | 146 Ų | 146 | 84% | 0.837 | 79% | 0.787 | S | S | * | * | trans | -138.3 | 102.3 | 157.2 | -127.6 | -179.2 | -66 | 0 | 0 | 107 | ||||
| 339 | E | 44.7 | Very low | 45.9 | Very low | 132 Ų | 132 | 148 Ų | 148 | 62% | 0.617 | 79% | 0.786 | S | S | * | * | trans | -43.9 | 158.8 | -179.9 | -93.3 | 66.7 | -174.1 | 0 | 0 | 115.6 | L341 | E339-L341 WeakPolarHBondContact O-CD1 3.3Å; E339-L341 PolarHBondContact O-N 3.11Å | ||
| 340 | D | 54.8 | Low | 47 | Very low | 167 Ų | 167 | 148.2 Ų | 148.2 | 89% | 0.893 | 78% | 0.783 | S | S | * | * | trans | -32.7 | 119.4 | 174.5 | -81.4 | -49.2 | 0 | 0 | 0 | 115.1 | ||||
| 341 | L | 53.1 | Low | 48.1 | Very low | 115 Ų | 115 | 148 Ų | 148 | 60% | 0.602 | 78% | 0.781 | S | S | * | * | trans | -116.9 | 134.1 | 153.8 | -66.9 | 102 | 0 | 0 | 0 | 109.6 | E339 F343 | E339-L341 WeakPolarHBondContact O-CD1 3.3Å; E339-L341 PolarHBondContact O-N 3.11Å; L341-F343 HydrophobicContact CB-CD2 3.65Å; L341-F343 HydrophobicContact CB-CE2 3.94Å; L341-F343 HydrophobicContact CD2-CD2 4.14Å; L341-F343 HydrophobicContact CD2-CE2 3.62Å; L341-F343 HydrophobicContact CG-CE2 4.43Å; L341-F343 PolarHBondContact O-N 2.67Å | ||
| 342 | P | 60.1 | Low | 48.9 | Very low | 130 Ų | 130 | 144.3 Ų | 144.3 | 84% | 0.844 | 77% | 0.772 | S | S | * | * | trans | -80.2 | 53.7 | -176.5 | 35.4 | -37.8 | 0 | 0 | 0 | 112 | ||||
| 343 | F | 57.8 | Low | 49.2 | Very low | 160 Ų | 160 | 145.1 Ų | 145.1 | 70% | 0.702 | 78% | 0.779 | S | S | * | * | trans | -104.1 | 120 | 175.4 | -64.6 | -54.7 | 0 | 0 | 0 | 110.5 | L341 S345 | L341-F343 HydrophobicContact CB-CD2 3.65Å; L341-F343 HydrophobicContact CB-CE2 3.94Å; L341-F343 HydrophobicContact CD2-CD2 4.14Å; L341-F343 HydrophobicContact CD2-CE2 3.62Å; L341-F343 HydrophobicContact CG-CE2 4.43Å; L341-F343 PolarHBondContact O-N 2.67Å; F343-S345 PolarHBondContact O-N 3.11Å | ||
| 344 | M | 55 | Low | 49.5 | Very low | 189 Ų | 189 | 148.1 Ų | 148.1 | 93% | 0.931 | 78% | 0.784 | S | S | * | * | trans | -69.2 | 101.1 | 170.7 | -67.3 | -153.6 | 74.7 | 0 | 0 | 109.7 | ||||
| 345 | S | 61.3 | Low | 50.2 | Low | 113 Ų | 113 | 146.5 Ų | 146.5 | 79% | 0.79 | 78% | 0.776 | S | S | * | * | trans | -80.2 | 128.3 | 167.2 | 52.6 | 0 | 0 | 0 | 0 | 109.8 | F343 | F343-S345 PolarHBondContact O-N 3.11Š| ||
| 346 | T | 65.4 | Low | 50.9 | Low | 83 Ų | 83 | 149.4 Ų | 149.4 | 51% | 0.509 | 78% | 0.777 | S | S | . | * | trans | -99.8 | 124.9 | 167.7 | 58.6 | 0 | 0 | 0 | 0 | 108.6 | E348 | T346-E348 PolarHBondContact O-N 3.31Å; T346-E348 PolarHBondContact OG1-O 3.45Å | ||
| 347 | T | 66.8 | Low | 51.9 | Low | 153 Ų | 153 | 148 Ų | 148 | 94% | 0.939 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -67.4 | -20.1 | 173.6 | -45.8 | 0 | 0 | 0 | 0 | 112 | ||
| 348 | E | 58.6 | Low | 52.5 | Low | 167 Ų | 167 | 145.8 Ų | 145.8 | 78% | 0.78 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -77.6 | 127.3 | 173.6 | -64 | -170.2 | 171.5 | 0 | 0 | 111.4 | T346 Y350 | T346-E348 PolarHBondContact O-N 3.31Å; T346-E348 PolarHBondContact OG1-O 3.45Å; E348-Y350 PolarHBondContact O-N 3.32Å |
| 349 | M | 62.1 | Low | 52.7 | Low | 168 Ų | 168 | 145.6 Ų | 145.6 | 83% | 0.828 | 77% | 0.768 | S | S | * | * | trans | -74.9 | 114.6 | 174.7 | -173.7 | 175.4 | 69.4 | 0 | 0 | 109.5 | L351 | M349-L351 PolarHBondContact O-N 3.49Š| ||
| 350 | Y | 51.4 | Low | 52.6 | Low | 183 Ų | 183 | 144.7 Ų | 144.7 | 72% | 0.718 | 78% | 0.777 | S | S | * | * | trans | -57.5 | 122.8 | 170.6 | -83.5 | -93.9 | 0 | 0 | 0 | 109.8 | E348 C352 | E348-Y350 PolarHBondContact O-N 3.32Å; Y350-C352 PolarHBondContact O-N 3.07Å | ||
| 351 | L | 53.1 | Low | 52.2 | Low | 161 Ų | 161 | 142.8 Ų | 142.8 | 84% | 0.843 | 77% | 0.773 | S | S | * | * | trans | -70.6 | 72.3 | 167.3 | -79.4 | 165.1 | 0 | 0 | 0 | 109.7 | M349 C353 | M349-L351 PolarHBondContact O-N 3.49Å; L351-C353 PolarHBondContact O-N 3.02Å | ||
| 352 | C | 49.3 | Very low | 51.3 | Low | 88 Ų | 88 | 145 Ų | 145 | 60% | 0.595 | 79% | 0.785 | S | S | * | * | trans | -55.3 | 130.2 | 157.8 | -66.9 | 0 | 0 | 0 | 0 | 107.6 | Y350 W354 | Y350-C352 PolarHBondContact O-N 3.07Å; C352-W354 PolarHBondContact O-N 2.66Å | ||
| 353 | C | 50.3 | Low | 50.3 | Low | 126 Ų | 126 | 147.3 Ų | 147.3 | 85% | 0.851 | 78% | 0.784 | S | S | * | * | trans | -69 | 75.2 | 176.1 | -58.1 | 0 | 0 | 0 | 0 | 110 | L351 N355 | L351-C353 PolarHBondContact O-N 3.02Å; C353-N355 PolarHBondContact O-N 3.09Å | ||
| 354 | W | 39 | Very low | 49 | Very low | 225 Ų | 225 | 148.4 Ų | 148.4 | 85% | 0.852 | 79% | 0.791 | S | S | * | * | trans | -70.9 | 97 | 173.8 | -136.5 | -58.9 | 0 | 0 | 0 | 107 | C352 Q356 | C352-W354 PolarHBondContact O-N 2.66Å; W354-Q356 PolarHBondContact O-N 3.27Å | ||
| 355 | N | 45.5 | Very low | 48 | Very low | 146 Ų | 146 | 145.6 Ų | 145.6 | 78% | 0.781 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 119.4 | 165.2 | -75.2 | -37 | 0 | 0 | 0 | 106.9 | C353 | C353-N355 PolarHBondContact O-N 3.09Š|
| 356 | Q | 41.5 | Very low | 46.7 | Very low | 172 Ų | 172 | 145.1 Ų | 145.1 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -49.9 | 124.2 | 176.9 | -171.6 | 172.6 | 11.6 | 0 | 0 | 108.4 | W354 | W354-Q356 PolarHBondContact O-N 3.27Š|
| 357 | P | 48.5 | Very low | 45.5 | Very low | 94 Ų | 94 | 147.1 Ų | 147.1 | 61% | 0.61 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 127.2 | 176.3 | -24.1 | 33.4 | 0 | 0 | 0 | 108.7 | L359 | P357-L359 PolarHBondContact O-N 2.82Š|
| 358 | P | 48.9 | Very low | 44 | Very low | 120 Ų | 120 | 148.9 Ų | 148.9 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 138 | 172.9 | 25.1 | -32.6 | 0 | 0 | 0 | 108.4 | S360 | P358-S360 PolarHBondContact O-N 2.9Š|
| 359 | L | 40.4 | Very low | 43 | Very low | 166 Ų | 166 | 148.5 Ų | 148.5 | 87% | 0.869 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 123.4 | -174 | -64.6 | 171.8 | 0 | 0 | 0 | 110.3 | P357 | P357-L359 PolarHBondContact O-N 2.82Š|
| 360 | S | 42.8 | Very low | 42.1 | Very low | 113 Ų | 113 | 147.8 Ų | 147.8 | 79% | 0.79 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 128.9 | -177.2 | -54.3 | 0 | 0 | 0 | 0 | 111.1 | P358 | P358-S360 PolarHBondContact O-N 2.9Š|
| 361 | P | 45.3 | Very low | 41.5 | Very low | 127 Ų | 127 | 148.4 Ų | 148.4 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -56 | 141 | 167.7 | -25.2 | 35.4 | 0 | 0 | 0 | 111 | ||
| 362 | L | 34.8 | Very low | 41 | Very low | 160 Ų | 160 | 148.9 Ų | 148.9 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 143.4 | 179.8 | -175.7 | 63.6 | 0 | 0 | 0 | 111.7 | E364 | L362-E364 PolarHBondContact O-N 3.01Å; L362-E364 VanDerWaalsContact O-N 3.12Å |
| 363 | H | 38.3 | Very low | 40.8 | Very low | 180 Ų | 180 | 150.7 Ų | 150.7 | 83% | 0.833 | 80% | 0.796 | S | S | * | * | trans | -50.2 | 104.4 | 177.9 | -146.2 | -83.2 | 0 | 0 | 0 | 112.8 | ||||
| 364 | E | 30.9 | Very low | 40.5 | Very low | 182 Ų | 182 | 148.9 Ų | 148.9 | 85% | 0.85 | 79% | 0.791 | S | S | * | * | trans | -130.4 | 155.3 | 163.8 | -74.5 | -160.2 | 150.7 | 0 | 0 | 111.7 | L362 | L362-E364 PolarHBondContact O-N 3.01Å; L362-E364 VanDerWaalsContact O-N 3.12Å | ||
| 365 | T | 34.4 | Very low | 40.8 | Very low | 130 Ų | 130 | 143.9 Ų | 143.9 | 80% | 0.798 | 79% | 0.79 | S | S | * | * | trans | -89 | 147.6 | -143.8 | 50.1 | 0 | 0 | 0 | 0 | 116 | ||||
| 366 | S | 34.5 | Very low | 40.6 | Very low | 104 Ų | 104 | 142.6 Ų | 142.6 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | trans | -55.2 | 152.8 | 170.2 | 83.9 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 367 | P | 40.2 | Very low | 40.7 | Very low | 124 Ų | 124 | 147.3 Ų | 147.3 | 81% | 0.805 | 79% | 0.79 | S | S | * | * | trans | -121.9 | 145.4 | 130.5 | 33.2 | -25.8 | 0 | 0 | 0 | 112.8 | ||||
| 368 | K | 34.9 | Very low | 40.5 | Very low | 191 Ų | 191 | 146.6 Ų | 146.6 | 83% | 0.83 | 78% | 0.784 | S | S | * | * | trans | -84.5 | 160.6 | 171.7 | -67.5 | 175.8 | 175.1 | 177.2 | 0 | 111.2 | ||||
| 369 | K | 36.6 | Very low | 40.5 | Very low | 159 Ų | 159 | 145.6 Ų | 145.6 | 69% | 0.691 | 78% | 0.778 | S | S | * | * | trans | 115 | 104.9 | 162.3 | -71.9 | -178.1 | 160 | -75.7 | 0 | 111.6 | ||||
| 370 | E | 44.4 | Very low | 40.6 | Very low | 153 Ų | 153 | 144.6 Ų | 144.6 | 72% | 0.715 | 77% | 0.768 | S | S | * | * | 76.1 | 100.8 | 81.3 | 100.5 | -156.7 | 163.6 | 0 | 0 | 111.3 | |||||
| 371 | E | 39.1 | Very low | 41 | Very low | 196 Ų | 196 | 145.5 Ų | 145.5 | 92% | 0.916 | 77% | 0.769 | S | S | * | * | trans | -158.9 | 142.8 | 136.3 | -160.1 | 156.3 | 176.7 | 0 | 0 | 109.2 | ||||
| 372 | E | 41.9 | Very low | 41.2 | Very low | 170 Ų | 170 | 145.1 Ų | 145.1 | 79% | 0.794 | 76% | 0.764 | S | S | * | * | trans | -84.6 | 146.8 | -178.7 | -104.5 | -176.2 | 102.4 | 0 | 0 | 112 | ||||
| 373 | V | 45.3 | Very low | 41.7 | Very low | 126 Ų | 126 | 145.7 Ų | 145.7 | 76% | 0.764 | 76% | 0.762 | S | S | * | * | S | Bend | trans | 67.2 | 134.4 | 143.5 | 175.7 | 0 | 0 | 0 | 0 | 118.3 | ||
| 374 | A | 43.5 | Very low | 42.3 | Very low | 89 Ų | 89 | 145.2 Ų | 145.2 | 74% | 0.736 | 77% | 0.766 | S | S | * | * | trans | 72.3 | 62.1 | 166.1 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 375 | S | 44.6 | Very low | 43.3 | Very low | 120 Ų | 120 | 143.6 Ų | 143.6 | 84% | 0.839 | 76% | 0.76 | S | S | * | * | trans | -156.6 | 173.2 | 137.4 | -87.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 376 | E | 42 | Very low | 44.5 | Very low | 119 Ų | 119 | 144.8 Ų | 144.8 | 56% | 0.556 | 76% | 0.76 | S | S | * | * | trans | 83.6 | 65.9 | 172.6 | -48.6 | -136.7 | 87.2 | 0 | 0 | 118.6 | T378 H380 | E376-T378 WeakPolarHBondContact CA-OG1 3.33Å; E376-T378 WeakPolarHBondContact CB-OG1 3.41Å; E376-T378 VanDerWaalsContact CG-OG1 3.29Å; E376-T378 WeakPolarHBondContact CG-OG1 3.32Å; E376-T378 VanDerWaalsContact OE1-CB 3.31Å; E376-T378 WeakPolarHBondContact OE1-CB 3.39Å; E376-T378 PolarHBondContact OE1-OG1 2.97Å; E376-H380 IonicContact OE1-CE1 3.35Å; E376-H380 IonicContact OE2-CE1 3.45Å; E376-H380 PolarHBondContact OE2-CE1 2.92Å; E376-H380 IonicContact OE2-NE2 2.69Å | ||
| 377 | W | 43.6 | Very low | 45.6 | Very low | 270 Ų | 270 | 144.9 Ų | 144.9 | 100% | 1.023 | 75% | 0.752 | S | S | * | * | trans | -85.9 | 23.7 | 132.9 | -97.4 | 87.1 | 0 | 0 | 0 | 111.7 | P379 | W377-P379 WeakPolarHBondContact O-CD 3.22Š| ||
| 378 | T | 44.4 | Very low | 46.8 | Very low | 80 Ų | 80 | 144.3 Ų | 144.3 | 49% | 0.491 | 75% | 0.745 | S | S | . | * | trans | -76.3 | 122.3 | 169.7 | 3.6 | 0 | 0 | 0 | 0 | 108.4 | E376 H380 | E376-T378 WeakPolarHBondContact CA-OG1 3.33Å; E376-T378 WeakPolarHBondContact CB-OG1 3.41Å; E376-T378 VanDerWaalsContact CG-OG1 3.29Å; E376-T378 WeakPolarHBondContact CG-OG1 3.32Å; E376-T378 VanDerWaalsContact OE1-CB 3.31Å; E376-T378 WeakPolarHBondContact OE1-CB 3.39Å; E376-T378 PolarHBondContact OE1-OG1 2.97Å; T378-H380 PolarHBondContact O-N 3.23Å | ||
| 379 | P | 47.8 | Very low | 47.8 | Very low | 99 Ų | 99 | 143.4 Ų | 143.4 | 64% | 0.643 | 74% | 0.742 | S | S | * | * | trans | -64.6 | 121.5 | 167.5 | -14.9 | 29.4 | 0 | 0 | 0 | 108 | W377 V381 | W377-P379 WeakPolarHBondContact O-CD 3.22Å; P379-V381 VanDerWaalsContact C-N 3.34Å; P379-V381 PolarHBondContact O-N 3.38Å | ||
| 380 | H | 43.6 | Very low | 49 | Very low | 144 Ų | 144 | 140 Ų | 140 | 67% | 0.667 | 74% | 0.736 | S | S | * | * | trans | -64.6 | 97.1 | 168.8 | -65.6 | -58 | 0 | 0 | 0 | 109 | E376 T378 V382 | E376-H380 IonicContact OE1-CE1 3.35Å; E376-H380 IonicContact OE2-CE1 3.45Å; E376-H380 PolarHBondContact OE2-CE1 2.92Å; E376-H380 IonicContact OE2-NE2 2.69Å; T378-H380 PolarHBondContact O-N 3.23Å; H380-V382 VanDerWaalsContact C-N 3.3Å; H380-V382 PolarHBondContact O-N 3.31Å | ||
| 381 | V | 51.7 | Low | 49.9 | Very low | 132 Ų | 132 | 137.2 Ų | 137.2 | 80% | 0.8 | 73% | 0.733 | S | S | * | * | trans | -76.6 | 85.5 | 175.7 | -177.2 | 0 | 0 | 0 | 0 | 108.6 | P379 | P379-V381 VanDerWaalsContact C-N 3.34Å; P379-V381 PolarHBondContact O-N 3.38Å | ||
| 382 | V | 48.8 | Very low | 51.5 | Low | 120 Ų | 120 | 138.7 Ų | 138.7 | 73% | 0.727 | 73% | 0.731 | S | S | * | * | trans | -112.3 | 97.5 | 167.2 | -168.9 | 0 | 0 | 0 | 0 | 107.7 | H380 | H380-V382 VanDerWaalsContact C-N 3.3Å; H380-V382 PolarHBondContact O-N 3.31Å | ||
| 383 | H | 45.4 | Very low | 53.2 | Low | 171 Ų | 171 | 140 Ų | 140 | 79% | 0.792 | 73% | 0.728 | S | S | * | * | S | Bend | trans | 47.9 | 91.2 | 170.1 | -98.3 | -71.6 | 0 | 0 | 0 | 118 | M385 | H383-M385 PolarHBondContact O-N 3.03Š|
| 384 | D | 50 | Low | 54.5 | Low | 171 Ų | 171 | 141.8 Ų | 141.8 | 91% | 0.914 | 73% | 0.729 | S | S | * | * | S | Bend | trans | 46 | 3.3 | 148.9 | -85.7 | 8.1 | 0 | 0 | 0 | 121.8 | ||
| 385 | M | 52.3 | Low | 55.4 | Low | 147 Ų | 147 | 144 Ų | 144 | 72% | 0.724 | 73% | 0.728 | S | S | * | * | trans | -124.2 | 90.4 | 177 | -166.4 | 115.6 | 77.7 | 0 | 0 | 109.5 | H383 I387 | H383-M385 PolarHBondContact O-N 3.03Å; M385-I387 HydrophobicContact CG-CD1 4.19Å; M385-I387 HydrophobicContact CG-CG1 3.76Å; M385-I387 PolarHBondContact O-N 3.34Å | ||
| 386 | L | 59.6 | Low | 56.5 | Low | 155 Ų | 155 | 146 Ų | 146 | 81% | 0.812 | 72% | 0.724 | S | S | * | * | trans | -68.8 | 78.1 | 175.4 | -170.1 | 83.2 | 0 | 0 | 0 | 110.7 | V388 | L386-V388 HydrophobicContact CD2-CG2 3.95Å; L386-V388 HydrophobicContact CG-CG2 4.05Å; L386-V388 PolarHBondContact O-N 3.41Å | ||
| 387 | I | 58.7 | Low | 58 | Low | 107 Ų | 107 | 147.7 Ų | 147.7 | 55% | 0.549 | 74% | 0.735 | S | S | . | * | trans | -75.2 | 93.7 | 172.8 | -58.6 | 180 | 0 | 0 | 0 | 108.1 | M385 F389 | M385-I387 HydrophobicContact CG-CD1 4.19Å; M385-I387 HydrophobicContact CG-CG1 3.76Å; M385-I387 PolarHBondContact O-N 3.34Å; I387-F389 HydrophobicContact CB-CE2 4.2Å; I387-F389 HydrophobicContact CG2-CD2 4.04Å; I387-F389 HydrophobicContact CG2-CE1 4.22Å; I387-F389 HydrophobicContact CG2-CE2 3.69Å; I387-F389 HydrophobicContact CG2-CG 4.45Å; I387-F389 HydrophobicContact CG2-CZ 3.79Å; I387-F389 WeakPolarHBondContact O-CD2 3.34Å; I387-F389 PolarHBondContact O-N 3.11Å; I387-F389 VanDerWaalsContact O-N 3.11Å | ||
| 388 | V | 65.3 | Low | 59.6 | Low | 111 Ų | 111 | 142.9 Ų | 142.9 | 67% | 0.673 | 72% | 0.724 | S | S | * | * | trans | -73.7 | 98.7 | 170.9 | -178.2 | 0 | 0 | 0 | 0 | 108.3 | L386 P390 | L386-V388 HydrophobicContact CD2-CG2 3.95Å; L386-V388 HydrophobicContact CG-CG2 4.05Å; L386-V388 PolarHBondContact O-N 3.41Å; V388-P390 VanDerWaalsContact O-CD 3.29Å; V388-P390 WeakPolarHBondContact O-CD 3.48Å | ||
| 389 | F | 55.5 | Low | 60.4 | Low | 173 Ų | 173 | 144.6 Ų | 144.6 | 76% | 0.759 | 74% | 0.736 | S | S | * | * | trans | -66.2 | 118.9 | 173 | -72.1 | -87.1 | 0 | 0 | 0 | 110 | I387 S391 | I387-F389 HydrophobicContact CB-CE2 4.2Å; I387-F389 HydrophobicContact CG2-CD2 4.04Å; I387-F389 HydrophobicContact CG2-CE1 4.22Å; I387-F389 HydrophobicContact CG2-CE2 3.69Å; I387-F389 HydrophobicContact CG2-CG 4.45Å; I387-F389 HydrophobicContact CG2-CZ 3.79Å; I387-F389 WeakPolarHBondContact O-CD2 3.34Å; I387-F389 PolarHBondContact O-N 3.11Å; I387-F389 VanDerWaalsContact O-N 3.11Å; F389-S391 PolarHBondContact O-N 3.46Å | ||
| 390 | P | 61.7 | Low | 60.9 | Low | 87 Ų | 87 | 147.1 Ų | 147.1 | 57% | 0.565 | 74% | 0.744 | S | S | * | * | trans | -65 | 129.5 | 176.6 | 24.5 | -33.4 | 0 | 0 | 0 | 111.1 | V388 W392 | V388-P390 VanDerWaalsContact O-CD 3.29Å; V388-P390 WeakPolarHBondContact O-CD 3.48Å; P390-W392 VanDerWaalsContact CG-NE1 3.27Å; P390-W392 PolarHBondContact O-N 2.85Å | ||
| 391 | S | 64.1 | Low | 61.8 | Low | 94 Ų | 94 | 148.1 Ų | 148.1 | 66% | 0.657 | 75% | 0.746 | S | S | * | * | trans | -76.5 | 86.5 | 171.8 | -179.2 | 0 | 0 | 0 | 0 | 109.8 | F389 | F389-S391 PolarHBondContact O-N 3.46Š| ||
| 392 | W | 71 | Confident | 62.1 | Low | 228 Ų | 228 | 148.1 Ų | 148.1 | 86% | 0.864 | 74% | 0.742 | S | S | * | * | trans | -73.4 | 136.8 | 163.8 | -55.8 | 81.3 | 0 | 0 | 0 | 108.3 | P390 | P390-W392 VanDerWaalsContact CG-NE1 3.27Å; P390-W392 PolarHBondContact O-N 2.85Å | ||
| 393 | R | 77.6 | Confident | 62.4 | Low | 197 Ų | 197 | 150.1 Ų | 150.1 | 74% | 0.743 | 75% | 0.748 | S | S | * | * | trans | -124.4 | 133.3 | 170.3 | -63.4 | -176.7 | -169 | -103.1 | -2.6 | 107.7 | N395 | R393-N395 PolarHBondContact O-N 2.85Å; R393-N395 PolarHBondContact O-ND2 2.97Å | ||
| 394 | E | 73.3 | Confident | 62.8 | Low | 164 Ų | 164 | 144.6 Ų | 144.6 | 77% | 0.766 | 73% | 0.732 | S | S | * | * | trans | -66.2 | 123.7 | 175 | -168.9 | 161.1 | -157.8 | 0 | 0 | 108.9 | ||||
| 395 | N | 63.6 | Low | 62.8 | Low | 135 Ų | 135 | 141.2 Ų | 141.2 | 72% | 0.722 | 72% | 0.721 | S | S | * | * | trans | -108 | 102.9 | 174.3 | -72.5 | -94.7 | 0 | 0 | 0 | 106.4 | R393 I397 | R393-N395 PolarHBondContact O-N 2.85Å; R393-N395 PolarHBondContact O-ND2 2.97Å; N395-I397 PolarHBondContact O-N 2.99Å | ||
| 396 | H | 67.5 | Low | 63 | Low | 162 Ų | 162 | 141.3 Ų | 141.3 | 75% | 0.75 | 72% | 0.724 | S | S | * | * | trans | -66.1 | 106.8 | 170.7 | -70.7 | -78.8 | 0 | 0 | 0 | 108.6 | ||||
| 397 | I | 73.6 | Confident | 63.2 | Low | 154 Ų | 154 | 140.7 Ų | 140.7 | 79% | 0.79 | 72% | 0.72 | S | S | * | * | trans | -84 | 115.3 | 170.7 | -58.6 | 172.5 | 0 | 0 | 0 | 106.1 | N395 | N395-I397 PolarHBondContact O-N 2.99Š| ||
| 398 | E | 75.3 | Confident | 63.9 | Low | 169 Ų | 169 | 141.2 Ų | 141.2 | 79% | 0.79 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 127.8 | 178.1 | -165.5 | 172.1 | -164.5 | 0 | 0 | 109.6 | L400 | E398-L400 PolarHBondContact O-N 3.35Š|
| 399 | P | 62.8 | Low | 64.3 | Low | 117 Ų | 117 | 141.5 Ų | 141.5 | 76% | 0.76 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 124.6 | 177.6 | -24.3 | 34.4 | 0 | 0 | 0 | 110.8 | K401 | P399-K401 PolarHBondContact O-N 3.29Š|
| 400 | L | 58.3 | Low | 65.3 | Low | 152 Ų | 152 | 137 Ų | 137 | 80% | 0.796 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 124.3 | 177.2 | -175.6 | 67.2 | 0 | 0 | 0 | 109.2 | E398 D402 | E398-L400 PolarHBondContact O-N 3.35Å; L400-D402 PolarHBondContact O-N 3.46Å |
| 401 | K | 61 | Low | 66.4 | Low | 165 Ų | 165 | 139.2 Ų | 139.2 | 72% | 0.717 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 135.8 | -178.8 | -64.6 | 177.8 | -179.3 | 176.1 | 0 | 111.2 | P399 D403 A404 | P399-K401 PolarHBondContact O-N 3.29Å; K401-D403 PolarHBondContact O-N 2.96Å; K401-A404 PolarHBondContact O-N 3.48Å |
| 402 | D | 59.1 | Low | 67.6 | Low | 132 Ų | 132 | 139.7 Ų | 139.7 | 71% | 0.706 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -60.4 | -18.5 | -168.6 | -64.4 | -64.3 | 0 | 0 | 0 | 115.1 | L400 A404 C405 | L400-D402 PolarHBondContact O-N 3.46Å; D402-A404 PolarHBondContact O-N 3.47Å; D402-A404 VanDerWaalsContact O-N 3.1Å; D402-C405 WeakPolarHBondContact O-CB 3.43Å; D402-C405 PolarHBondContact O-N 2.89Å |
| 403 | D | 54.9 | Low | 68.4 | Low | 161 Ų | 161 | 134.7 Ų | 134.7 | 86% | 0.861 | 71% | 0.705 | S | S | * | * | G | 310 helix | trans | -66.3 | -12.1 | -177 | -59.8 | -45.8 | 0 | 0 | 0 | 114.5 | K401 | K401-D403 PolarHBondContact O-N 2.96Š|
| 404 | A | 53.7 | Low | 69.1 | Low | 56 Ų | 56 | 126.3 Ų | 126.3 | 46% | 0.463 | 68% | 0.68 | S | S | . | * | G | 310 helix | trans | -91.9 | -6.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | K401 D402 N406 | K401-A404 PolarHBondContact O-N 3.48Å; D402-A404 PolarHBondContact O-N 3.47Å; D402-A404 VanDerWaalsContact O-N 3.1Å; A404-N406 VanDerWaalsContact C-N 3.29Å; A404-N406 PolarHBondContact O-N 2.98Å |
| 405 | C | 51.2 | Low | 69.8 | Low | 99 Ų | 99 | 120 Ų | 120 | 67% | 0.669 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.9 | 1.1 | -161.8 | -147.6 | 0 | 0 | 0 | 0 | 115.2 | D402 | D402-C405 WeakPolarHBondContact O-CB 3.43Å; D402-C405 PolarHBondContact O-N 2.89Å |
| 406 | N | 56 | Low | 71 | Confident | 150 Ų | 150 | 117.3 Ų | 117.3 | 80% | 0.802 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110 | 31 | -176.7 | -71.1 | -72.2 | 0 | 0 | 0 | 114.1 | A404 P408 | A404-N406 VanDerWaalsContact C-N 3.29Å; A404-N406 PolarHBondContact O-N 2.98Å; N406-P408 WeakPolarHBondContact O-CD 3.26Å |
| 407 | I | 62.8 | Low | 72.2 | Confident | 141 Ų | 141 | 114.9 Ų | 114.9 | 72% | 0.723 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -97.4 | 107.8 | 162.3 | -59 | 169.5 | 0 | 0 | 0 | 106.6 | E409 | I407-E409 PolarHBondContact O-N 3.35Š|
| 408 | P | 73.8 | Confident | 73.1 | Confident | 119 Ų | 119 | 115.2 Ų | 115.2 | 77% | 0.773 | 62% | 0.622 | S | S | * | * | trans | -60.2 | 111.6 | 174.9 | -21.1 | 33 | 0 | 0 | 0 | 108.9 | N406 | N406-P408 WeakPolarHBondContact O-CD 3.26Š| ||
| 409 | E | 73.1 | Confident | 73.9 | Confident | 116 Ų | 116 | 111.1 Ų | 111.1 | 54% | 0.542 | 60% | 0.6 | S | S | . | * | trans | -58.7 | 130.2 | 175.2 | -165.3 | -172.3 | 175.2 | 0 | 0 | 107.5 | I407 L411 R419 | I407-E409 PolarHBondContact O-N 3.35Å; E409-L411 PolarHBondContact O-N 3.29Å; E409-R419 IonicContact OE1-CZ 3.18Å; E409-R419 IonicContact OE1-NE 3.33Å; E409-R419 PolarHBondContact OE1-NE 3.39Å; E409-R419 IonicContact OE1-NH2 3.49Å; E409-R419 PolarHBondContact OE1-NH2 2.89Å; E409-R419 IonicContact OE2-NH2 2.75Å | ||
| 410 | P | 78 | Confident | 75.4 | Confident | 80 Ų | 80 | 110 Ų | 110 | 52% | 0.519 | 58% | 0.584 | S | S | . | * | trans | -66 | 95.6 | -175.2 | 23.7 | -33.7 | 0 | 0 | 0 | 110.7 | D412 T415 | P410-D412 PolarHBondContact O-N 2.93Å; P410-T415 HydrophobicContact CG-CG2 4.41Å; P410-T415 WeakPolarHBondContact O-CB 3.48Å; P410-T415 PolarHBondContact O-OG1 2.84Å | ||
| 411 | L | 83.1 | Confident | 77.1 | Confident | 133 Ų | 133 | 104.7 Ų | 104.7 | 70% | 0.696 | 56% | 0.561 | S | S | * | * | trans | -68.4 | 9.6 | -179.5 | -75 | 163.4 | 0 | 0 | 0 | 114.2 | E409 F416 | E409-L411 PolarHBondContact O-N 3.29Å; L411-F416 HydrophobicContact CB-CE2 4.44Å; L411-F416 HydrophobicContact CD2-CE2 3.8Å; L411-F416 HydrophobicContact CD2-CZ 3.82Å | ||
| 412 | D | 89.8 | Confident | 78.7 | Confident | 103 Ų | 103 | 105 Ų | 105 | 55% | 0.551 | 56% | 0.563 | S | S | * | * | trans | -58.6 | 139.6 | 174.5 | 176.5 | 57 | 0 | 0 | 0 | 111.8 | P410 G414 T415 F416 | P410-D412 PolarHBondContact O-N 2.93Å; D412-G414 PolarHBondContact O-N 2.85Å; D412-G414 VanDerWaalsContact O-N 3.14Å; D412-G414 VanDerWaalsContact OD2-CA 3.28Å; D412-G414 WeakPolarHBondContact OD2-CA 3.2Å; D412-G414 PolarHBondContact OD2-N 3.29Å; D412-T415 WeakPolarHBondContact O-CA 3.38Å; D412-T415 VanDerWaalsContact O-CB 3.32Å; D412-T415 WeakPolarHBondContact O-CB 3.45Å; D412-T415 PolarHBondContact O-N 3.22Å; D412-F416 PolarHBondContact O-N 3.29Å | ||
| 413 | D | 88.9 | Confident | 80.4 | Confident | 123 Ų | 123 | 104 Ų | 104 | 66% | 0.658 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -55.5 | -34.4 | 178.6 | -76.3 | -19.4 | 0 | 0 | 0 | 111.5 | T415 F416 L417 | D413-T415 VanDerWaalsContact C-N 3.27Å; D413-T415 PolarHBondContact O-N 2.81Å; D413-F416 PolarHBondContact O-N 3.04Å; D413-L417 WeakPolarHBondContact O-CB 3.44Å; D413-L417 WeakPolarHBondContact O-CD1 3.03Å; D413-L417 VanDerWaalsContact O-CG 3.32Å; D413-L417 WeakPolarHBondContact O-CG 3.49Å; D413-L417 PolarHBondContact O-N 3.01Å |
| 414 | G | 91.6 | Very high | 82.3 | Confident | 21 Ų | 21 | 100.3 Ų | 100.3 | 22% | 0.216 | 53% | 0.534 | C | S | . | . | H | α-helix | trans | -62.9 | -29.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | D412 K418 | D412-G414 PolarHBondContact O-N 2.85Å; D412-G414 VanDerWaalsContact O-N 3.14Å; D412-G414 VanDerWaalsContact OD2-CA 3.28Å; D412-G414 WeakPolarHBondContact OD2-CA 3.2Å; D412-G414 PolarHBondContact OD2-N 3.29Å; G414-K418 VanDerWaalsContact O-CD 3.25Å; G414-K418 WeakPolarHBondContact O-CD 3.37Å; G414-K418 WeakPolarHBondContact O-CG 3.43Å; G414-K418 PolarHBondContact O-N 3.33Å |
| 415 | T | 88.1 | Confident | 84.3 | Confident | 32 Ų | 32 | 102.3 Ų | 102.3 | 20% | 0.196 | 54% | 0.537 | C | S | . | . | H | α-helix | trans | -73.4 | -48.2 | 172.6 | -52.1 | 0 | 0 | 0 | 0 | 110.5 | P410 D412 D413 L417 K418 R419 | P410-T415 HydrophobicContact CG-CG2 4.41Å; P410-T415 WeakPolarHBondContact O-CB 3.48Å; P410-T415 PolarHBondContact O-OG1 2.84Å; D412-T415 WeakPolarHBondContact O-CA 3.38Å; D412-T415 VanDerWaalsContact O-CB 3.32Å; D412-T415 WeakPolarHBondContact O-CB 3.45Å; D412-T415 PolarHBondContact O-N 3.22Å; D413-T415 VanDerWaalsContact C-N 3.27Å; D413-T415 PolarHBondContact O-N 2.81Å; T415-L417 PolarHBondContact O-N 2.96Å; T415-K418 WeakPolarHBondContact O-CB 3.26Å; T415-K418 PolarHBondContact O-N 3.33Å; T415-K418 VanDerWaalsContact O-N 3.14Å; T415-R419 WeakPolarHBondContact O-CG 3.47Å; T415-R419 PolarHBondContact O-N 2.96Å |
| 416 | F | 89.4 | Confident | 86.5 | Confident | 78 Ų | 78 | 100.9 Ų | 100.9 | 34% | 0.342 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -58.8 | -48.1 | 176.5 | -79.3 | -86.6 | 0 | 0 | 0 | 111.9 | L411 D412 D413 K418 R419 H420 | L411-F416 HydrophobicContact CB-CE2 4.44Å; L411-F416 HydrophobicContact CD2-CE2 3.8Å; L411-F416 HydrophobicContact CD2-CZ 3.82Å; D412-F416 PolarHBondContact O-N 3.29Å; D413-F416 PolarHBondContact O-N 3.04Å; F416-K418 VanDerWaalsContact C-N 3.26Å; F416-K418 PolarHBondContact O-N 2.96Å; F416-R419 VanDerWaalsContact CG-NH1 3.25Å; F416-R419 PolarHBondContact O-N 2.74Å; F416-R419 VanDerWaalsContact O-N 3.11Å; F416-H420 PolarHBondContact O-CD2 2.86Å; F416-H420 PolarHBondContact O-N 3.15Å |
| 417 | L | 92.5 | Very high | 88.4 | Confident | 111 Ų | 111 | 97.7 Ų | 97.7 | 58% | 0.581 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -53.6 | -42.2 | 174.5 | -78.5 | 161.2 | 0 | 0 | 0 | 111.9 | D413 T415 A421 | D413-L417 WeakPolarHBondContact O-CB 3.44Å; D413-L417 WeakPolarHBondContact O-CD1 3.03Å; D413-L417 VanDerWaalsContact O-CG 3.32Å; D413-L417 WeakPolarHBondContact O-CG 3.49Å; D413-L417 PolarHBondContact O-N 3.01Å; T415-L417 PolarHBondContact O-N 2.96Å; L417-A421 WeakPolarHBondContact O-CB 3.34Å; L417-A421 PolarHBondContact O-N 2.9Å |
| 418 | K | 91.9 | Very high | 90 | Very high | 162 Ų | 162 | 96 Ų | 96 | 70% | 0.704 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -67.4 | -43.9 | 175.9 | -72.3 | 164.7 | -168.9 | 166.1 | 0 | 112.6 | G414 T415 F416 H420 | G414-K418 VanDerWaalsContact O-CD 3.25Å; G414-K418 WeakPolarHBondContact O-CD 3.37Å; G414-K418 WeakPolarHBondContact O-CG 3.43Å; G414-K418 PolarHBondContact O-N 3.33Å; T415-K418 WeakPolarHBondContact O-CB 3.26Å; T415-K418 PolarHBondContact O-N 3.33Å; T415-K418 VanDerWaalsContact O-N 3.14Å; F416-K418 VanDerWaalsContact C-N 3.26Å; F416-K418 PolarHBondContact O-N 2.96Å; K418-H420 VanDerWaalsContact C-N 3.34Å; K418-H420 PolarHBondContact O-N 3.22Å |
| 419 | R | 92 | Very high | 91.1 | Very high | 83 Ų | 83 | 98.3 Ų | 98.3 | 31% | 0.313 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -59.4 | -44.8 | 176.1 | -62.8 | -164 | -145.3 | 91.2 | 0.9 | 110.9 | E409 T415 F416 | E409-R419 IonicContact OE1-CZ 3.18Å; E409-R419 IonicContact OE1-NE 3.33Å; E409-R419 PolarHBondContact OE1-NE 3.39Å; E409-R419 IonicContact OE1-NH2 3.49Å; E409-R419 PolarHBondContact OE1-NH2 2.89Å; E409-R419 IonicContact OE2-NH2 2.75Å; T415-R419 WeakPolarHBondContact O-CG 3.47Å; T415-R419 PolarHBondContact O-N 2.96Å; F416-R419 VanDerWaalsContact CG-NH1 3.25Å; F416-R419 PolarHBondContact O-N 2.74Å; F416-R419 VanDerWaalsContact O-N 3.11Å |
| 420 | H | 93.5 | Very high | 92.2 | Very high | 94 Ų | 94 | 98.1 Ų | 98.1 | 44% | 0.435 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -82.7 | -24.2 | -176.3 | -70.9 | -76 | 0 | 0 | 0 | 114.7 | F416 K418 K422 L423 E424 | F416-H420 PolarHBondContact O-CD2 2.86Å; F416-H420 PolarHBondContact O-N 3.15Å; K418-H420 VanDerWaalsContact C-N 3.34Å; K418-H420 PolarHBondContact O-N 3.22Å; H420-K422 VanDerWaalsContact C-N 3.28Å; H420-K422 PolarHBondContact O-N 2.94Å; H420-K422 VanDerWaalsContact O-N 3.11Å; H420-L423 PolarHBondContact O-N 3.42Å; H420-E424 PolarHBondContact O-N 3.17Å |
| 421 | A | 94.9 | Very high | 93.1 | Very high | 39 Ų | 39 | 99.4 Ų | 99.4 | 32% | 0.322 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -52.1 | -39.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | L417 L425 | L417-A421 WeakPolarHBondContact O-CB 3.34Å; L417-A421 PolarHBondContact O-N 2.9Å; A421-L425 VanDerWaalsContact O-CB 3.29Å; A421-L425 WeakPolarHBondContact O-CB 3.35Å; A421-L425 WeakPolarHBondContact O-CG 3.49Å; A421-L425 PolarHBondContact O-N 2.95Å |
| 422 | K | 94.8 | Very high | 93.7 | Very high | 173 Ų | 173 | 101.9 Ų | 101.9 | 75% | 0.752 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -64.7 | -45.7 | 177.6 | -174.4 | -179.1 | 177.3 | -175 | 0 | 111.5 | H420 D426 | H420-K422 VanDerWaalsContact C-N 3.28Å; H420-K422 PolarHBondContact O-N 2.94Å; H420-K422 VanDerWaalsContact O-N 3.11Å; K422-D426 WeakPolarHBondContact O-CB 3.35Å; K422-D426 PolarHBondContact O-N 2.65Å |
| 423 | L | 94.2 | Very high | 94 | Very high | 110 Ų | 110 | 105.8 Ų | 105.8 | 58% | 0.576 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -69.1 | -42.5 | -179.7 | -64.4 | 175.1 | 0 | 0 | 0 | 111.4 | H420 D426 E427 | H420-L423 PolarHBondContact O-N 3.42Å; L423-D426 PolarHBondContact O-N 3.48Å; L423-E427 PolarHBondContact O-N 2.9Å |
| 424 | E | 96.1 | Very high | 94.4 | Very high | 83 Ų | 83 | 103 Ų | 103 | 39% | 0.388 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -60.6 | -45.5 | 174 | -81.2 | -167 | -141.6 | 0 | 0 | 112.6 | H420 D426 E427 K428 | H420-E424 PolarHBondContact O-N 3.17Å; E424-D426 VanDerWaalsContact C-N 3.32Å; E424-E427 PolarHBondContact O-N 3.43Å; E424-K428 VanDerWaalsContact O-CB 3.27Å; E424-K428 WeakPolarHBondContact O-CB 3.42Å; E424-K428 WeakPolarHBondContact O-CD 3.35Å; E424-K428 WeakPolarHBondContact O-CG 3.47Å; E424-K428 PolarHBondContact O-N 3.26Å; E424-K428 IonicContact OE2-NZ 2.66Å; E424-K428 PolarHBondContact OE2-NZ 3.42Å |
| 425 | L | 95.8 | Very high | 94.6 | Very high | 98 Ų | 98 | 106.3 Ų | 106.3 | 51% | 0.513 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -66 | -37.8 | 178.8 | -76.2 | 173.7 | 0 | 0 | 0 | 111.3 | A421 K428 R429 | A421-L425 VanDerWaalsContact O-CB 3.29Å; A421-L425 WeakPolarHBondContact O-CB 3.35Å; A421-L425 WeakPolarHBondContact O-CG 3.49Å; A421-L425 PolarHBondContact O-N 2.95Å; L425-K428 PolarHBondContact O-N 3.25Å; L425-R429 WeakPolarHBondContact O-CB 3.27Å; L425-R429 VanDerWaalsContact O-CG 3.23Å; L425-R429 WeakPolarHBondContact O-CG 3.46Å; L425-R429 PolarHBondContact O-N 3.48Å |
| 426 | D | 95.9 | Very high | 95 | Very high | 70 Ų | 70 | 109.9 Ų | 109.9 | 37% | 0.374 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67 | -43 | 174.7 | -173.7 | 64.8 | 0 | 0 | 0 | 112.1 | K422 L423 E424 R429 R430 | K422-D426 WeakPolarHBondContact O-CB 3.35Å; K422-D426 PolarHBondContact O-N 2.65Å; L423-D426 PolarHBondContact O-N 3.48Å; E424-D426 VanDerWaalsContact C-N 3.32Å; D426-R429 WeakPolarHBondContact O-CB 3.23Å; D426-R429 PolarHBondContact O-N 2.61Å; D426-R429 VanDerWaalsContact O-N 3.16Å; D426-R430 PolarHBondContact O-N 3.16Å; D426-R430 IonicContact OD2-CZ 2.93Å; D426-R430 IonicContact OD2-NE 3.72Å; D426-R430 PolarHBondContact OD2-NE 2.85Å; D426-R430 IonicContact OD2-NH2 3.97Å; D426-R430 PolarHBondContact OD2-NH2 3.11Å |
| 427 | E | 96.4 | Very high | 95.3 | Very high | 83 Ų | 83 | 112.3 Ų | 112.3 | 39% | 0.388 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.4 | -44.5 | 172.7 | 178.8 | 146.2 | -149.2 | 0 | 0 | 111.6 | L423 E424 R429 R430 K431 | L423-E427 PolarHBondContact O-N 2.9Å; E424-E427 PolarHBondContact O-N 3.43Å; E427-R429 PolarHBondContact O-N 2.82Å; E427-R430 PolarHBondContact O-N 2.82Å; E427-R430 VanDerWaalsContact O-N 3.16Å; E427-K431 HydrophobicContact CG-CG 4.23Å; E427-K431 WeakPolarHBondContact O-CG 3.42Å; E427-K431 PolarHBondContact O-N 3.31Å; E427-K431 WeakPolarHBondContact OE1-CE 3.46Å; E427-K431 IonicContact OE1-NZ 3.84Å; E427-K431 PolarHBondContact OE1-NZ 3.18Å |
| 428 | K | 96.9 | Very high | 95.5 | Very high | 106 Ų | 106 | 110.6 Ų | 110.6 | 46% | 0.461 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -58.9 | -32.4 | 173.6 | -74.3 | 160.8 | -178.5 | 162.3 | 0 | 111.9 | E424 L425 R432 | E424-K428 VanDerWaalsContact O-CB 3.27Å; E424-K428 WeakPolarHBondContact O-CB 3.42Å; E424-K428 WeakPolarHBondContact O-CD 3.35Å; E424-K428 WeakPolarHBondContact O-CG 3.47Å; E424-K428 PolarHBondContact O-N 3.26Å; E424-K428 IonicContact OE2-NZ 2.66Å; E424-K428 PolarHBondContact OE2-NZ 3.42Å; L425-K428 PolarHBondContact O-N 3.25Å; K428-R432 WeakPolarHBondContact O-CD 3.48Å; K428-R432 VanDerWaalsContact O-CG 3.26Å; K428-R432 WeakPolarHBondContact O-CG 3.33Å; K428-R432 PolarHBondContact O-N 3.16Å |
| 429 | R | 96.3 | Very high | 95.8 | Very high | 166 Ų | 166 | 111 Ų | 111 | 63% | 0.626 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -71.8 | -49.5 | 171.9 | -75 | 168.4 | -177.7 | -169.3 | 1.8 | 111.4 | L425 D426 E427 K431 R432 W433 | L425-R429 WeakPolarHBondContact O-CB 3.27Å; L425-R429 VanDerWaalsContact O-CG 3.23Å; L425-R429 WeakPolarHBondContact O-CG 3.46Å; L425-R429 PolarHBondContact O-N 3.48Å; D426-R429 WeakPolarHBondContact O-CB 3.23Å; D426-R429 PolarHBondContact O-N 2.61Å; D426-R429 VanDerWaalsContact O-N 3.16Å; E427-R429 PolarHBondContact O-N 2.82Å; R429-K431 PolarHBondContact O-N 3.42Å; R429-R432 WeakPolarHBondContact O-CB 3.18Å; R429-R432 PolarHBondContact O-N 2.83Å; R429-R432 VanDerWaalsContact O-N 3.11Å; R429-W433 VanDerWaalsContact O-CD1 3.31Å; R429-W433 PolarHBondContact O-N 3.39Å |
| 430 | R | 95.5 | Very high | 96 | Very high | 112 Ų | 112 | 112.1 Ų | 112.1 | 42% | 0.423 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -55.6 | -50.2 | 176.3 | -80 | -177.3 | -86.9 | 119.5 | -2.5 | 112 | D426 E427 R432 W433 D434 | D426-R430 PolarHBondContact O-N 3.16Å; D426-R430 IonicContact OD2-CZ 2.93Å; D426-R430 IonicContact OD2-NE 3.72Å; D426-R430 PolarHBondContact OD2-NE 2.85Å; D426-R430 IonicContact OD2-NH2 3.97Å; D426-R430 PolarHBondContact OD2-NH2 3.11Å; E427-R430 PolarHBondContact O-N 2.82Å; E427-R430 VanDerWaalsContact O-N 3.16Å; R430-R432 VanDerWaalsContact C-N 3.27Å; R430-R432 PolarHBondContact O-N 2.8Å; R430-W433 WeakPolarHBondContact O-CB 3.46Å; R430-W433 PolarHBondContact O-N 2.71Å; R430-D434 PolarHBondContact O-N 3.06Å |
| 431 | K | 97.6 | Very high | 96.1 | Very high | 108 Ų | 108 | 113.2 Ų | 113.2 | 47% | 0.47 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -57 | -38.1 | 176.1 | -61.3 | -53.5 | -175.1 | -154.5 | 0 | 112.5 | E427 R429 I435 | E427-K431 HydrophobicContact CG-CG 4.23Å; E427-K431 WeakPolarHBondContact O-CG 3.42Å; E427-K431 PolarHBondContact O-N 3.31Å; E427-K431 WeakPolarHBondContact OE1-CE 3.46Å; E427-K431 IonicContact OE1-NZ 3.84Å; E427-K431 PolarHBondContact OE1-NZ 3.18Å; R429-K431 PolarHBondContact O-N 3.42Å; K431-I435 VanDerWaalsContact O-CB 3.3Å; K431-I435 WeakPolarHBondContact O-CB 3.36Å; K431-I435 WeakPolarHBondContact O-CD1 3.48Å; K431-I435 WeakPolarHBondContact O-CG1 3.42Å; K431-I435 PolarHBondContact O-N 3.37Å |
| 432 | R | 96.9 | Very high | 96.2 | Very high | 185 Ų | 185 | 118.8 Ų | 118.8 | 70% | 0.698 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -66.5 | -42.3 | 176 | -72.7 | 170.4 | -171.3 | -83.9 | 0.8 | 111.8 | K428 R429 R430 Q436 | K428-R432 WeakPolarHBondContact O-CD 3.48Å; K428-R432 VanDerWaalsContact O-CG 3.26Å; K428-R432 WeakPolarHBondContact O-CG 3.33Å; K428-R432 PolarHBondContact O-N 3.16Å; R429-R432 WeakPolarHBondContact O-CB 3.18Å; R429-R432 PolarHBondContact O-N 2.83Å; R429-R432 VanDerWaalsContact O-N 3.11Å; R430-R432 VanDerWaalsContact C-N 3.27Å; R430-R432 PolarHBondContact O-N 2.8Å; R432-Q436 WeakPolarHBondContact O-CB 3.19Å; R432-Q436 PolarHBondContact O-N 2.83Å |
| 433 | W | 95.6 | Very high | 96.2 | Very high | 184 Ų | 184 | 115 Ų | 115 | 70% | 0.697 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.5 | -44.3 | 175.7 | -83.3 | 54.8 | 0 | 0 | 0 | 112.2 | R429 R430 Q436 R437 | R429-W433 VanDerWaalsContact O-CD1 3.31Å; R429-W433 PolarHBondContact O-N 3.39Å; R430-W433 WeakPolarHBondContact O-CB 3.46Å; R430-W433 PolarHBondContact O-N 2.71Å; W433-Q436 WeakPolarHBondContact O-CB 3.21Å; W433-Q436 PolarHBondContact O-N 3.03Å; W433-R437 WeakPolarHBondContact O-CB 3.29Å; W433-R437 PolarHBondContact O-N 3.23Å |
| 434 | D | 97.2 | Very high | 96.3 | Very high | 66 Ų | 66 | 116.2 Ų | 116.2 | 35% | 0.353 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.9 | -43.3 | 177 | -67.2 | -34.3 | 0 | 0 | 0 | 111.4 | R430 Q436 R437 I438 | R430-D434 PolarHBondContact O-N 3.06Å; D434-Q436 VanDerWaalsContact C-N 3.28Å; D434-Q436 PolarHBondContact O-N 2.99Å; D434-R437 PolarHBondContact O-N 2.83Å; D434-R437 IonicContact OD1-NH1 2.68Å; D434-I438 WeakPolarHBondContact O-CB 3.34Å; D434-I438 WeakPolarHBondContact O-CD1 3.3Å; D434-I438 WeakPolarHBondContact O-CG1 3.4Å; D434-I438 PolarHBondContact O-N 2.93Å |
| 435 | I | 94.5 | Very high | 96.2 | Very high | 89 Ų | 89 | 117.5 Ų | 117.5 | 46% | 0.456 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.1 | -39.4 | 173.8 | -72.9 | 166.1 | 0 | 0 | 0 | 111.2 | K431 R439 | K431-I435 VanDerWaalsContact O-CB 3.3Å; K431-I435 WeakPolarHBondContact O-CB 3.36Å; K431-I435 WeakPolarHBondContact O-CD1 3.48Å; K431-I435 WeakPolarHBondContact O-CG1 3.42Å; K431-I435 PolarHBondContact O-N 3.37Å; I435-R439 VanDerWaalsContact O-CG 3.24Å; I435-R439 WeakPolarHBondContact O-CG 3.4Å; I435-R439 PolarHBondContact O-N 3.32Å; I435-R439 VanDerWaalsContact O-N 3.11Å |
| 436 | Q | 96.3 | Very high | 96.2 | Very high | 108 Ų | 108 | 120.5 Ų | 120.5 | 51% | 0.505 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.3 | -50.6 | 175 | 176.9 | 172.1 | -18.1 | 0 | 0 | 111.2 | R432 W433 D434 I438 R439 E440 | R432-Q436 WeakPolarHBondContact O-CB 3.19Å; R432-Q436 PolarHBondContact O-N 2.83Å; W433-Q436 WeakPolarHBondContact O-CB 3.21Å; W433-Q436 PolarHBondContact O-N 3.03Å; D434-Q436 VanDerWaalsContact C-N 3.28Å; D434-Q436 PolarHBondContact O-N 2.99Å; Q436-I438 VanDerWaalsContact C-N 3.32Å; Q436-I438 PolarHBondContact O-N 3.5Å; Q436-R439 WeakPolarHBondContact O-CA 3.34Å; Q436-R439 WeakPolarHBondContact O-CB 3.34Å; Q436-R439 PolarHBondContact O-N 3.38Å; Q436-E440 HydrophobicContact CG-CG 4.47Å; Q436-E440 WeakPolarHBondContact CG-OE1 3.45Å; Q436-E440 PolarHBondContact NE2-OE1 3.15Å; Q436-E440 WeakPolarHBondContact O-CG 3.36Å; Q436-E440 PolarHBondContact O-N 2.84Å |
| 437 | R | 97 | Very high | 96.1 | Very high | 129 Ų | 129 | 122.5 Ų | 122.5 | 49% | 0.487 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -57.1 | -42.7 | 177.7 | -171.7 | -172.8 | -65 | 156.2 | 0.4 | 112 | W433 D434 R439 E440 Q441 | W433-R437 WeakPolarHBondContact O-CB 3.29Å; W433-R437 PolarHBondContact O-N 3.23Å; D434-R437 PolarHBondContact O-N 2.83Å; D434-R437 IonicContact OD1-NH1 2.68Å; R437-R439 VanDerWaalsContact C-N 3.34Å; R437-R439 PolarHBondContact O-N 2.75Å; R437-E440 PolarHBondContact O-N 3.28Å; R437-Q441 WeakPolarHBondContact O-CB 3.46Å; R437-Q441 WeakPolarHBondContact O-CG 3.32Å; R437-Q441 PolarHBondContact O-N 3.16Å |
| 438 | I | 96.4 | Very high | 95.9 | Very high | 75 Ų | 75 | 123 Ų | 123 | 39% | 0.385 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64 | -37.9 | 176.3 | -70.1 | 164.8 | 0 | 0 | 0 | 111.2 | D434 Q436 R442 | D434-I438 WeakPolarHBondContact O-CB 3.34Å; D434-I438 WeakPolarHBondContact O-CD1 3.3Å; D434-I438 WeakPolarHBondContact O-CG1 3.4Å; D434-I438 PolarHBondContact O-N 2.93Å; Q436-I438 VanDerWaalsContact C-N 3.32Å; Q436-I438 PolarHBondContact O-N 3.5Å; I438-R442 WeakPolarHBondContact O-CB 3.47Å; I438-R442 WeakPolarHBondContact O-CG 3.47Å; I438-R442 PolarHBondContact O-N 2.89Å |
| 439 | R | 97.4 | Very high | 95.6 | Very high | 171 Ų | 171 | 123.1 Ų | 123.1 | 65% | 0.645 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -66.1 | -45.1 | 174.7 | -72.5 | 167.4 | -178.9 | -161.6 | 0.5 | 111.2 | I435 Q436 R437 R442 V443 | I435-R439 VanDerWaalsContact O-CG 3.24Å; I435-R439 WeakPolarHBondContact O-CG 3.4Å; I435-R439 PolarHBondContact O-N 3.32Å; I435-R439 VanDerWaalsContact O-N 3.11Å; Q436-R439 WeakPolarHBondContact O-CA 3.34Å; Q436-R439 WeakPolarHBondContact O-CB 3.34Å; Q436-R439 PolarHBondContact O-N 3.38Å; R437-R439 VanDerWaalsContact C-N 3.34Å; R437-R439 PolarHBondContact O-N 2.75Å; R439-R442 PolarHBondContact O-N 2.97Å; R439-V443 WeakPolarHBondContact O-CG2 3.47Å; R439-V443 PolarHBondContact O-N 3.36Å |
| 440 | E | 96.5 | Very high | 95.2 | Very high | 106 Ų | 106 | 123.8 Ų | 123.8 | 50% | 0.495 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.4 | -47.8 | 177.3 | -70.6 | 166.6 | -177.3 | 0 | 0 | 111.3 | Q436 R437 R442 V443 F444 | Q436-E440 HydrophobicContact CG-CG 4.47Å; Q436-E440 WeakPolarHBondContact CG-OE1 3.45Å; Q436-E440 PolarHBondContact NE2-OE1 3.15Å; Q436-E440 WeakPolarHBondContact O-CG 3.36Å; Q436-E440 PolarHBondContact O-N 2.84Å; R437-E440 PolarHBondContact O-N 3.28Å; E440-R442 PolarHBondContact O-N 2.87Å; E440-V443 PolarHBondContact O-N 2.99Å; E440-V443 VanDerWaalsContact O-N 3.14Å; E440-F444 WeakPolarHBondContact O-CB 3.46Å; E440-F444 PolarHBondContact O-N 2.75Å |
| 441 | Q | 96.4 | Very high | 94.6 | Very high | 117 Ų | 117 | 122.5 Ų | 122.5 | 55% | 0.547 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -57.7 | -43.5 | 173.6 | -75.9 | 176 | -23.9 | 0 | 0 | 112.5 | R437 V443 F444 Q445 | R437-Q441 WeakPolarHBondContact O-CB 3.46Å; R437-Q441 WeakPolarHBondContact O-CG 3.32Å; R437-Q441 PolarHBondContact O-N 3.16Å; Q441-V443 VanDerWaalsContact C-N 3.35Å; Q441-V443 PolarHBondContact O-N 3.34Å; Q441-F444 PolarHBondContact O-N 2.75Å; Q441-Q445 WeakPolarHBondContact O-CB 3.48Å; Q441-Q445 PolarHBondContact O-N 3.11Å |
| 442 | R | 97.3 | Very high | 93.6 | Very high | 156 Ų | 156 | 120.8 Ų | 120.8 | 59% | 0.589 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -65.3 | -35.2 | 175.9 | -74.9 | 172.3 | -178.9 | -165.8 | 1 | 112.6 | I438 R439 E440 R446 | I438-R442 WeakPolarHBondContact O-CB 3.47Å; I438-R442 WeakPolarHBondContact O-CG 3.47Å; I438-R442 PolarHBondContact O-N 2.89Å; R439-R442 PolarHBondContact O-N 2.97Å; E440-R442 PolarHBondContact O-N 2.87Å; R442-R446 WeakPolarHBondContact O-CB 3.17Å; R442-R446 WeakPolarHBondContact O-CD 3.47Å; R442-R446 WeakPolarHBondContact O-CG 3.49Å; R442-R446 PolarHBondContact O-N 2.67Å; R442-R446 VanDerWaalsContact O-N 3.14Å |
| 443 | V | 94.3 | Very high | 92.5 | Very high | 94 Ų | 94 | 121 Ų | 121 | 57% | 0.57 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -68.6 | -46.1 | 174.3 | 170 | 0 | 0 | 0 | 0 | 110.4 | R439 E440 Q441 R446 L447 | R439-V443 WeakPolarHBondContact O-CG2 3.47Å; R439-V443 PolarHBondContact O-N 3.36Å; E440-V443 PolarHBondContact O-N 2.99Å; E440-V443 VanDerWaalsContact O-N 3.14Å; Q441-V443 VanDerWaalsContact C-N 3.35Å; Q441-V443 PolarHBondContact O-N 3.34Å; V443-R446 PolarHBondContact O-N 3.01Å; V443-L447 WeakPolarHBondContact O-CB 3.37Å; V443-L447 PolarHBondContact O-N 2.98Å |
| 444 | F | 95.9 | Very high | 91 | Very high | 135 Ų | 135 | 120 Ų | 120 | 59% | 0.592 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -59.1 | -49.4 | 176.4 | -177.5 | -94.4 | 0 | 0 | 0 | 111.8 | E440 Q441 R446 L447 Q448 | E440-F444 WeakPolarHBondContact O-CB 3.46Å; E440-F444 PolarHBondContact O-N 2.75Å; Q441-F444 PolarHBondContact O-N 2.75Å; F444-R446 VanDerWaalsContact C-N 3.35Å; F444-R446 PolarHBondContact O-N 3.02Å; F444-L447 WeakPolarHBondContact O-CB 3.28Å; F444-L447 PolarHBondContact O-N 3.39Å; F444-L447 VanDerWaalsContact O-N 3.09Å; F444-Q448 WeakPolarHBondContact O-CB 3.32Å; F444-Q448 PolarHBondContact O-N 2.93Å |
| 445 | Q | 94.9 | Very high | 89.2 | Confident | 110 Ų | 110 | 123.6 Ų | 123.6 | 51% | 0.514 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -59.5 | -42.4 | 177.7 | -172 | -176.6 | 44.2 | 0 | 0 | 112.1 | Q441 L447 Q448 Q449 | Q441-Q445 WeakPolarHBondContact O-CB 3.48Å; Q441-Q445 PolarHBondContact O-N 3.11Å; Q445-L447 VanDerWaalsContact C-N 3.35Å; Q445-L447 PolarHBondContact O-N 3.25Å; Q445-Q448 PolarHBondContact O-N 3.47Å; Q445-Q449 WeakPolarHBondContact O-CB 3.46Å; Q445-Q449 VanDerWaalsContact O-CG 3.31Å; Q445-Q449 WeakPolarHBondContact O-CG 3.25Å; Q445-Q449 PolarHBondContact O-N 2.92Å |
| 446 | R | 95.9 | Very high | 87.1 | Confident | 161 Ų | 161 | 124.9 Ų | 124.9 | 61% | 0.608 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -64.5 | -37.3 | 174.6 | -74.5 | 169.6 | -178.6 | -173.8 | -0.4 | 112.5 | R442 V443 F444 R450 | R442-R446 WeakPolarHBondContact O-CB 3.17Å; R442-R446 WeakPolarHBondContact O-CD 3.47Å; R442-R446 WeakPolarHBondContact O-CG 3.49Å; R442-R446 PolarHBondContact O-N 2.67Å; R442-R446 VanDerWaalsContact O-N 3.14Å; V443-R446 PolarHBondContact O-N 3.01Å; F444-R446 VanDerWaalsContact C-N 3.35Å; F444-R446 PolarHBondContact O-N 3.02Å; R446-R450 WeakPolarHBondContact O-CG 3.35Å; R446-R450 PolarHBondContact O-N 3.42Å |
| 447 | L | 93.3 | Very high | 84.8 | Confident | 112 Ų | 112 | 125.3 Ų | 125.3 | 59% | 0.586 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -68.1 | -44.3 | 176.4 | -176.5 | 62.3 | 0 | 0 | 0 | 110.9 | V443 F444 Q445 Q449 R450 M451 | V443-L447 WeakPolarHBondContact O-CB 3.37Å; V443-L447 PolarHBondContact O-N 2.98Å; F444-L447 WeakPolarHBondContact O-CB 3.28Å; F444-L447 PolarHBondContact O-N 3.39Å; F444-L447 VanDerWaalsContact O-N 3.09Å; Q445-L447 VanDerWaalsContact C-N 3.35Å; Q445-L447 PolarHBondContact O-N 3.25Å; L447-Q449 PolarHBondContact O-N 3.34Å; L447-R450 WeakPolarHBondContact O-CB 3.07Å; L447-R450 PolarHBondContact O-N 3.13Å; L447-R450 VanDerWaalsContact O-N 3.12Å; L447-M451 PolarHBondContact O-N 3.45Å |
| 448 | Q | 92.7 | Very high | 82.6 | Confident | 93 Ų | 93 | 126.4 Ų | 126.4 | 44% | 0.435 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -61.9 | -41.4 | 174.9 | -167.5 | -179.5 | 16.1 | 0 | 0 | 111.6 | F444 Q445 R450 M451 N452 | F444-Q448 WeakPolarHBondContact O-CB 3.32Å; F444-Q448 PolarHBondContact O-N 2.93Å; Q445-Q448 PolarHBondContact O-N 3.47Å; Q448-R450 VanDerWaalsContact C-N 3.35Å; Q448-R450 PolarHBondContact O-N 2.69Å; Q448-M451 PolarHBondContact O-N 2.68Å; Q448-N452 WeakPolarHBondContact O-CB 3.48Å; Q448-N452 PolarHBondContact O-N 2.72Å |
| 449 | Q | 89.2 | Confident | 80.4 | Confident | 108 Ų | 108 | 131.5 Ų | 131.5 | 51% | 0.505 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -61.2 | -39.8 | 171.5 | -76.8 | 174.3 | -8.9 | 0 | 0 | 112.3 | Q445 L447 R453 | Q445-Q449 WeakPolarHBondContact O-CB 3.46Å; Q445-Q449 VanDerWaalsContact O-CG 3.31Å; Q445-Q449 WeakPolarHBondContact O-CG 3.25Å; Q445-Q449 PolarHBondContact O-N 2.92Å; L447-Q449 PolarHBondContact O-N 3.34Å; Q449-R453 VanDerWaalsContact O-CB 3.27Å; Q449-R453 WeakPolarHBondContact O-CB 3.36Å; Q449-R453 VanDerWaalsContact O-CG 3.24Å; Q449-R453 WeakPolarHBondContact O-CG 3.21Å; Q449-R453 PolarHBondContact O-N 2.87Å |
| 450 | R | 89.4 | Confident | 78.3 | Confident | 180 Ų | 180 | 128.1 Ų | 128.1 | 68% | 0.679 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -66.6 | -38.5 | 174.4 | -74.1 | 173 | 177 | -165.4 | -2.4 | 112.3 | R446 L447 Q448 K454 | R446-R450 WeakPolarHBondContact O-CG 3.35Å; R446-R450 PolarHBondContact O-N 3.42Å; L447-R450 WeakPolarHBondContact O-CB 3.07Å; L447-R450 PolarHBondContact O-N 3.13Å; L447-R450 VanDerWaalsContact O-N 3.12Å; Q448-R450 VanDerWaalsContact C-N 3.35Å; Q448-R450 PolarHBondContact O-N 2.69Å; R450-K454 WeakPolarHBondContact O-CG 3.39Å; R450-K454 PolarHBondContact O-N 3.35Å; R450-K454 VanDerWaalsContact O-N 3.16Å |
| 451 | M | 82.3 | Confident | 76.4 | Confident | 85 Ų | 85 | 131.2 Ų | 131.2 | 42% | 0.419 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -65.6 | -50.2 | 174.6 | -174.8 | -157.2 | 70.1 | 0 | 0 | 110.9 | L447 Q448 R453 K454 K455 | L447-M451 PolarHBondContact O-N 3.45Å; Q448-M451 PolarHBondContact O-N 2.68Å; M451-R453 PolarHBondContact O-N 3.33Å; M451-K454 WeakPolarHBondContact O-CB 3.29Å; M451-K454 PolarHBondContact O-N 2.98Å; M451-K454 VanDerWaalsContact O-N 3.08Å; M451-K455 HydrophobicContact CE-CD 4.36Å; M451-K455 PolarHBondContact O-N 2.94Å |
| 452 | N | 76.1 | Confident | 74.7 | Confident | 72 Ų | 72 | 130.3 Ų | 130.3 | 39% | 0.385 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -62.5 | -43.2 | 179.4 | -73.1 | -9.1 | 0 | 0 | 0 | 111.3 | Q448 K454 K455 T456 | Q448-N452 WeakPolarHBondContact O-CB 3.48Å; Q448-N452 PolarHBondContact O-N 2.72Å; N452-K454 PolarHBondContact O-N 2.92Å; N452-K455 CarbonylContact O-C 3.57Å; N452-K455 WeakPolarHBondContact O-CA 3.39Å; N452-K455 PolarHBondContact O-N 2.86Å; N452-T456 PolarHBondContact O-N 3.01Å; N452-T456 PolarHBondContact O-OG1 2.75Å; N452-T456 VanDerWaalsContact O-OG1 3.07Å |
| 453 | R | 73.3 | Confident | 73.1 | Confident | 191 Ų | 191 | 131.4 Ų | 131.4 | 72% | 0.721 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -60.9 | -29.8 | 173.5 | -75.4 | -177.8 | 68.4 | -172.7 | 1.4 | 113.5 | Q449 M451 V457 | Q449-R453 VanDerWaalsContact O-CB 3.27Å; Q449-R453 WeakPolarHBondContact O-CB 3.36Å; Q449-R453 VanDerWaalsContact O-CG 3.24Å; Q449-R453 WeakPolarHBondContact O-CG 3.21Å; Q449-R453 PolarHBondContact O-N 2.87Å; M451-R453 PolarHBondContact O-N 3.33Å; R453-V457 VanDerWaalsContact O-CB 3.29Å; R453-V457 WeakPolarHBondContact O-CB 3.45Å; R453-V457 WeakPolarHBondContact O-CG2 3.46Å; R453-V457 PolarHBondContact O-N 3.14Å |
| 454 | K | 64.6 | Low | 71.6 | Confident | 163 Ų | 163 | 133.2 Ų | 133.2 | 71% | 0.709 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -71.8 | -36.8 | 171.5 | -75.2 | 178.6 | 173 | -163 | 0 | 112.1 | R450 M451 N452 Q458 | R450-K454 WeakPolarHBondContact O-CG 3.39Å; R450-K454 PolarHBondContact O-N 3.35Å; R450-K454 VanDerWaalsContact O-N 3.16Å; M451-K454 WeakPolarHBondContact O-CB 3.29Å; M451-K454 PolarHBondContact O-N 2.98Å; M451-K454 VanDerWaalsContact O-N 3.08Å; N452-K454 PolarHBondContact O-N 2.92Å; K454-Q458 PolarHBondContact O-N 3.27Å |
| 455 | K | 60 | Low | 70.2 | Confident | 140 Ų | 140 | 132.7 Ų | 132.7 | 61% | 0.609 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -69.9 | -41.8 | 175.6 | -65.4 | -176.3 | 177.6 | -168.7 | 0 | 112.4 | M451 N452 V457 Q458 | M451-K455 HydrophobicContact CE-CD 4.36Å; M451-K455 PolarHBondContact O-N 2.94Å; N452-K455 CarbonylContact O-C 3.57Å; N452-K455 WeakPolarHBondContact O-CA 3.39Å; N452-K455 PolarHBondContact O-N 2.86Å; K455-V457 VanDerWaalsContact C-N 3.31Å; K455-V457 PolarHBondContact O-N 3.29Å; K455-Q458 PolarHBondContact O-N 3.14Å |
| 456 | T | 48.9 | Very low | 69.1 | Low | 116 Ų | 116 | 130.1 Ų | 130.1 | 71% | 0.712 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.1 | -9.8 | 179.2 | -47 | 0 | 0 | 0 | 0 | 113.8 | N452 | N452-T456 PolarHBondContact O-N 3.01Å; N452-T456 PolarHBondContact O-OG1 2.75Å; N452-T456 VanDerWaalsContact O-OG1 3.07Å |
| 457 | V | 48.7 | Very low | 67.9 | Low | 117 Ų | 117 | 130.6 Ų | 130.6 | 71% | 0.709 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.2 | -0.3 | 173.2 | 176.1 | 0 | 0 | 0 | 0 | 111.7 | R453 K455 | R453-V457 VanDerWaalsContact O-CB 3.29Å; R453-V457 WeakPolarHBondContact O-CB 3.45Å; R453-V457 WeakPolarHBondContact O-CG2 3.46Å; R453-V457 PolarHBondContact O-N 3.14Å; K455-V457 VanDerWaalsContact C-N 3.31Å; K455-V457 PolarHBondContact O-N 3.29Å |
| 458 | Q | 51.7 | Low | 67 | Low | 153 Ų | 153 | 134.6 Ų | 134.6 | 72% | 0.715 | 66% | 0.657 | S | S | * | * | trans | -104.5 | 57.4 | 155.7 | -78.3 | -167.5 | -27.4 | 0 | 0 | 109.7 | K454 K455 T460 | K454-Q458 PolarHBondContact O-N 3.27Å; K455-Q458 PolarHBondContact O-N 3.14Å; Q458-T460 PolarHBondContact O-N 3.27Å | ||
| 459 | E | 48.8 | Very low | 66.2 | Low | 181 Ų | 181 | 134.8 Ų | 134.8 | 85% | 0.846 | 67% | 0.667 | S | S | * | * | trans | -69.6 | 100.4 | 130.2 | -159.8 | 165.8 | -133.5 | 0 | 0 | 103.7 | E461 | E459-E461 PolarHBondContact O-N 3.47Š| ||
| 460 | T | 54.8 | Low | 65.8 | Low | 100 Ų | 100 | 136.1 Ų | 136.1 | 61% | 0.613 | 67% | 0.673 | S | S | * | * | trans | -61.4 | 105.5 | 171.8 | 43 | 0 | 0 | 0 | 0 | 105.9 | Q458 | Q458-T460 PolarHBondContact O-N 3.27Š| ||
| 461 | E | 55.4 | Low | 65.2 | Low | 172 Ų | 172 | 133.8 Ų | 133.8 | 80% | 0.804 | 68% | 0.679 | S | S | * | * | trans | -45.6 | 120.2 | 160.6 | -177.6 | 177.7 | -138.2 | 0 | 0 | 105.4 | E459 E463 | E459-E461 PolarHBondContact O-N 3.47Å; E461-E463 PolarHBondContact O-N 3.21Å | ||
| 462 | P | 62 | Low | 65.2 | Low | 97 Ų | 97 | 138.1 Ų | 138.1 | 63% | 0.63 | 70% | 0.698 | S | S | * | * | trans | -57.2 | 115.3 | -170 | 21.1 | -32.2 | 0 | 0 | 0 | 107 | L464 | P462-L464 PolarHBondContact O-N 2.9Š| ||
| 463 | E | 63.3 | Low | 65.5 | Low | 179 Ų | 179 | 139.7 Ų | 139.7 | 84% | 0.836 | 71% | 0.706 | S | S | * | * | trans | -59.3 | 106.2 | -177.1 | -70.2 | -174 | 164.4 | 0 | 0 | 106.5 | E461 S465 | E461-E463 PolarHBondContact O-N 3.21Å; E463-S465 PolarHBondContact O-N 2.93Å | ||
| 464 | L | 63.2 | Low | 66.1 | Low | 132 Ų | 132 | 134.8 Ų | 134.8 | 69% | 0.691 | 70% | 0.697 | S | S | * | * | trans | -69.6 | 75.2 | -175.2 | -69 | 178 | 0 | 0 | 0 | 109.2 | P462 S466 | P462-L464 PolarHBondContact O-N 2.9Å; L464-S466 PolarHBondContact O-N 3.11Å | ||
| 465 | S | 66.9 | Low | 67.1 | Low | 125 Ų | 125 | 136.6 Ų | 136.6 | 87% | 0.874 | 71% | 0.708 | S | S | * | * | trans | -68.3 | -19.6 | 177.5 | 60 | 0 | 0 | 0 | 0 | 111.9 | E463 | E463-S465 PolarHBondContact O-N 2.93Š| ||
| 466 | S | 71 | Confident | 68.3 | Low | 56 Ų | 56 | 133.5 Ų | 133.5 | 39% | 0.392 | 71% | 0.709 | S | S | . | * | trans | -141.8 | 143.5 | 179.8 | 179 | 0 | 0 | 0 | 0 | 110.8 | L464 Y468 | L464-S466 PolarHBondContact O-N 3.11Å; S466-Y468 WeakPolarHBondContact OG-CB 3.29Å; S466-Y468 PolarHBondContact OG-N 3Å; S466-Y468 PolarHBondContact OG-O 3.47Å; S466-Y468 VanDerWaalsContact OG-O 3.11Å | ||
| 467 | F | 69.8 | Low | 70 | Confident | 170 Ų | 170 | 135.3 Ų | 135.3 | 75% | 0.746 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -92.9 | -1.7 | 165.2 | -71.6 | -78.2 | 0 | 0 | 0 | 112.8 | ||
| 468 | Y | 75.2 | Confident | 71.6 | Confident | 196 Ų | 196 | 135.2 Ų | 135.2 | 77% | 0.769 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -90.7 | 139.9 | 172.8 | -65.7 | -83.9 | 0 | 0 | 0 | 109.9 | S466 | S466-Y468 WeakPolarHBondContact OG-CB 3.29Å; S466-Y468 PolarHBondContact OG-N 3Å; S466-Y468 PolarHBondContact OG-O 3.47Å; S466-Y468 VanDerWaalsContact OG-O 3.11Å |
| 469 | P | 76.9 | Confident | 73.2 | Confident | 98 Ų | 98 | 135.6 Ų | 135.6 | 64% | 0.636 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 156.2 | 175 | 28.6 | -35.7 | 0 | 0 | 0 | 111.3 | D473 | P469-D473 HydrophobicContact CB-CB 4.29Š|
| 470 | E | 78.9 | Confident | 74.8 | Confident | 136 Ų | 136 | 130.3 Ų | 130.3 | 64% | 0.636 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 158 | 177.6 | -62 | -169.1 | -179.6 | 0 | 0 | 110.6 | E472 D473 | E470-E472 PolarHBondContact O-N 2.79Å; E470-E472 VanDerWaalsContact O-N 3.12Å; E470-D473 PolarHBondContact N-OD2 3.03Å; E470-D473 PolarHBondContact O-N 2.83Å; E470-D473 VanDerWaalsContact O-N 3.08Å |
| 471 | T | 78.3 | Confident | 76.4 | Confident | 131 Ų | 131 | 131.7 Ų | 131.7 | 80% | 0.804 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.7 | -16.2 | -177.8 | 45.6 | 0 | 0 | 0 | 0 | 113.5 | ||
| 472 | E | 82.5 | Confident | 77.8 | Confident | 176 Ų | 176 | 130.4 Ų | 130.4 | 82% | 0.822 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.9 | -21.1 | 177.1 | -56.7 | -171.4 | -174 | 0 | 0 | 112.2 | E470 V474 | E470-E472 PolarHBondContact O-N 2.79Å; E470-E472 VanDerWaalsContact O-N 3.12Å; E472-V474 VanDerWaalsContact C-N 3.3Å; E472-V474 PolarHBondContact O-N 3.29Å |
| 473 | D | 82.6 | Confident | 78.8 | Confident | 105 Ų | 105 | 133.7 Ų | 133.7 | 56% | 0.561 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -83.4 | 2.4 | -179.9 | -61.9 | -38.9 | 0 | 0 | 0 | 113.9 | P469 E470 E475 | P469-D473 HydrophobicContact CB-CB 4.29Å; E470-D473 PolarHBondContact N-OD2 3.03Å; E470-D473 PolarHBondContact O-N 2.83Å; E470-D473 VanDerWaalsContact O-N 3.08Å; D473-E475 PolarHBondContact O-N 3.18Å |
| 474 | V | 83.9 | Confident | 79.8 | Confident | 88 Ų | 88 | 127.9 Ų | 127.9 | 53% | 0.533 | 69% | 0.69 | S | S | . | * | trans | -81.3 | 86.5 | -170.8 | -174.5 | 0 | 0 | 0 | 0 | 111.3 | E472 | E472-V474 VanDerWaalsContact C-N 3.3Å; E472-V474 PolarHBondContact O-N 3.29Å | ||
| 475 | E | 86.5 | Confident | 81.1 | Confident | 200 Ų | 200 | 126.8 Ų | 126.8 | 94% | 0.935 | 69% | 0.688 | S | S | * | * | trans | -65.2 | -38.3 | 178.6 | -63.4 | -175 | 161.1 | 0 | 0 | 113.9 | D473 | D473-E475 PolarHBondContact O-N 3.18Š| ||
| 476 | A | 85.3 | Confident | 82.1 | Confident | 75 Ų | 75 | 124.7 Ų | 124.7 | 62% | 0.62 | 67% | 0.67 | S | S | * | * | trans | -155.7 | 149.3 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 477 | I | 83.6 | Confident | 82.8 | Confident | 154 Ų | 154 | 123.9 Ų | 123.9 | 79% | 0.79 | 67% | 0.666 | S | S | * | * | trans | -102 | 111.9 | 173.7 | -58.2 | 175.5 | 0 | 0 | 0 | 109.2 | ||||
| 478 | V | 82.9 | Confident | 83.5 | Confident | 115 Ų | 115 | 125.3 Ų | 125.3 | 70% | 0.697 | 67% | 0.672 | S | S | * | * | trans | -97.9 | 110.7 | 178.1 | -172.4 | 0 | 0 | 0 | 0 | 110.4 | T480 | V478-T480 HydrophobicContact CG1-CG2 4.11Å; V478-T480 PolarHBondContact O-N 3.07Å | ||
| 479 | I | 86.7 | Confident | 83.9 | Confident | 162 Ų | 162 | 118.5 Ų | 118.5 | 83% | 0.831 | 66% | 0.662 | S | S | * | * | trans | -82.3 | 105.4 | 173.8 | -56.2 | 176.8 | 0 | 0 | 0 | 108.6 | ||||
| 480 | T | 81.5 | Confident | 84.2 | Confident | 69 Ų | 69 | 123.2 Ų | 123.2 | 42% | 0.423 | 67% | 0.667 | S | S | . | * | trans | -104.1 | 135.2 | 174.2 | 38.1 | 0 | 0 | 0 | 0 | 110.6 | V478 F482 | V478-T480 HydrophobicContact CG1-CG2 4.11Å; V478-T480 PolarHBondContact O-N 3.07Å; T480-F482 PolarHBondContact O-N 2.75Å; T480-F482 PolarHBondContact OG1-O 2.87Å | ||
| 481 | P | 88.1 | Confident | 84.6 | Confident | 130 Ų | 130 | 120.7 Ų | 120.7 | 84% | 0.844 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -76.9 | -3.9 | 177.3 | 30.9 | -33.8 | 0 | 0 | 0 | 113.2 | ||
| 482 | F | 84.2 | Confident | 85.2 | Confident | 144 Ų | 144 | 119.3 Ų | 119.3 | 63% | 0.632 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -130.3 | 129.5 | 174.8 | 53.8 | -92.8 | 0 | 0 | 0 | 109.4 | T480 | T480-F482 PolarHBondContact O-N 2.75Å; T480-F482 PolarHBondContact OG1-O 2.87Å |
| 483 | L | 83.9 | Confident | 85.5 | Confident | 166 Ų | 166 | 115.3 Ų | 115.3 | 87% | 0.869 | 64% | 0.639 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 120.8 | 173.2 | -172.7 | 70.8 | 0 | 0 | 0 | 108.7 | ||
| 484 | P | 84.3 | Confident | 85.8 | Confident | 58 Ų | 58 | 120.6 Ų | 120.6 | 38% | 0.377 | 66% | 0.657 | S | S | . | * | P | Polyproline II helix | trans | -68.8 | 144.4 | 178.1 | 28.2 | -34.2 | 0 | 0 | 0 | 111.1 | V486 P491 | P484-V486 HydrophobicContact CG-CG2 4.39Å; P484-V486 PolarHBondContact O-N 2.99Å; P484-P491 HydrophobicContact CB-CB 3.91Å; P484-P491 HydrophobicContact CG-CB 4.46Å |
| 485 | V | 89.8 | Confident | 86 | Confident | 108 Ų | 108 | 123.7 Ų | 123.7 | 66% | 0.655 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 121 | 168.7 | -175.5 | 0 | 0 | 0 | 0 | 108.1 | L492 | V485-L492 HydrophobicContact CB-CD1 4.22Å; V485-L492 HydrophobicContact CG1-CD1 3.69Å; V485-L492 HydrophobicContact CG1-CG 4.46Å; V485-L492 PolarHBondContact O-N 3.02Å |
| 486 | V | 88.1 | Confident | 86.2 | Confident | 82 Ų | 82 | 118.2 Ų | 118.2 | 50% | 0.497 | 65% | 0.654 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.4 | 138.2 | -173.6 | 169.2 | 0 | 0 | 0 | 0 | 110.6 | P484 R490 | P484-V486 HydrophobicContact CG-CG2 4.39Å; P484-V486 PolarHBondContact O-N 2.99Å; V486-R490 CarbonylContact C-O 3.57Å; V486-R490 WeakPolarHBondContact CA-O 3.45Å |
| 487 | A | 86.3 | Confident | 86.6 | Confident | 38 Ų | 38 | 124.2 Ų | 124.2 | 31% | 0.314 | 67% | 0.669 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -131.1 | 136.7 | 166.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | G489 R490 L492 | A487-G489 PolarHBondContact O-N 2.81Å; A487-R490 PolarHBondContact N-O 3.14Å; A487-R490 PolarHBondContact O-N 3.24Å; A487-L492 HydrophobicContact CB-CD2 3.67Å; A487-L492 HydrophobicContact CB-CG 4.28Å |
| 488 | F | 84.1 | Confident | 86.9 | Confident | 200 Ų | 200 | 124.2 Ų | 124.2 | 88% | 0.877 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 50 | 42 | -177.3 | -51.2 | -74.1 | 0 | 0 | 0 | 113.8 | R490 | F488-R490 PolarHBondContact O-N 2.75Š|
| 489 | G | 83.9 | Confident | 87.3 | Confident | 54 Ų | 54 | 125.7 Ų | 125.7 | 56% | 0.557 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 72.3 | 0.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | A487 | A487-G489 PolarHBondContact O-N 2.81Š|
| 490 | R | 82.4 | Confident | 87.3 | Confident | 196 Ų | 196 | 126.7 Ų | 126.7 | 74% | 0.74 | 67% | 0.668 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -118 | 143.5 | 178.2 | -62.5 | -170.9 | 178.3 | -154.7 | -2.5 | 112.3 | V486 A487 F488 | V486-R490 CarbonylContact C-O 3.57Å; V486-R490 WeakPolarHBondContact CA-O 3.45Å; A487-R490 PolarHBondContact N-O 3.14Å; A487-R490 PolarHBondContact O-N 3.24Å; F488-R490 PolarHBondContact O-N 2.75Å |
| 491 | P | 88.8 | Confident | 87.5 | Confident | 84 Ų | 84 | 128.7 Ų | 128.7 | 55% | 0.545 | 67% | 0.673 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -62.7 | 137.6 | 174 | 28 | -35.1 | 0 | 0 | 0 | 110.2 | P484 | P484-P491 HydrophobicContact CB-CB 3.91Å; P484-P491 HydrophobicContact CG-CB 4.46Å |
| 492 | L | 89.4 | Confident | 87.4 | Confident | 101 Ų | 101 | 125.1 Ų | 125.1 | 53% | 0.529 | 65% | 0.646 | S | S | . | * | P | Polyproline II helix | trans | -62.1 | 129.6 | -180 | -75.6 | 177.1 | 0 | 0 | 0 | 110.8 | V485 A487 | V485-L492 HydrophobicContact CB-CD1 4.22Å; V485-L492 HydrophobicContact CG1-CD1 3.69Å; V485-L492 HydrophobicContact CG1-CG 4.46Å; V485-L492 PolarHBondContact O-N 3.02Å; A487-L492 HydrophobicContact CB-CD2 3.67Å; A487-L492 HydrophobicContact CB-CG 4.28Å |
| 493 | P | 89.7 | Confident | 87.4 | Confident | 92 Ų | 92 | 124.2 Ų | 124.2 | 60% | 0.597 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 151.4 | 175.4 | 29.6 | -34.7 | 0 | 0 | 0 | 110.9 | L495 | P493-L495 HydrophobicContact CG-CD2 4.12Å; P493-L495 HydrophobicContact CG-CG 4.45Å; P493-L495 PolarHBondContact O-N 2.77Å |
| 494 | K | 88.1 | Confident | 87.4 | Confident | 216 Ų | 216 | 125.1 Ų | 125.1 | 94% | 0.939 | 65% | 0.647 | S | S | * | * | trans | -73.5 | 96.3 | 171.3 | -66.9 | -178.2 | -179.5 | 179.1 | 0 | 109.4 | ||||
| 495 | L | 88.8 | Confident | 87.3 | Confident | 153 Ų | 153 | 125 Ų | 125 | 80% | 0.801 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -81 | 139.3 | 173.7 | -58.5 | 179 | 0 | 0 | 0 | 110.3 | P493 | P493-L495 HydrophobicContact CG-CD2 4.12Å; P493-L495 HydrophobicContact CG-CG 4.45Å; P493-L495 PolarHBondContact O-N 2.77Å |
| 496 | S | 91.4 | Very high | 86.8 | Confident | 86 Ų | 86 | 125.7 Ų | 125.7 | 60% | 0.601 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 149 | 166.2 | 53.2 | 0 | 0 | 0 | 0 | 110.2 | Q498 | S496-Q498 PolarHBondContact O-N 2.68Å; S496-Q498 PolarHBondContact OG-NE2 2.93Å |
| 497 | Q | 92.8 | Very high | 86 | Confident | 201 Ų | 201 | 127.7 Ų | 127.7 | 94% | 0.939 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 120.9 | 177.5 | -176.9 | 177.3 | -11.2 | 0 | 0 | 109.9 | ||
| 498 | Q | 90.1 | Very high | 85 | Confident | 154 Ų | 154 | 137 Ų | 137 | 72% | 0.72 | 67% | 0.674 | S | S | * | * | trans | -139.3 | 159.4 | 177.5 | -61.9 | -174.2 | 17.3 | 0 | 0 | 109.5 | S496 | S496-Q498 PolarHBondContact O-N 2.68Å; S496-Q498 PolarHBondContact OG-NE2 2.93Å | ||
| 499 | N | 90.1 | Very high | 84.1 | Confident | 146 Ų | 146 | 129.6 Ų | 129.6 | 78% | 0.781 | 65% | 0.647 | S | S | * | * | trans | -73.5 | 151.7 | 171.3 | -67.9 | -47.8 | 0 | 0 | 0 | 110.2 | E501 | N499-E501 PolarHBondContact O-N 3.4Š| ||
| 500 | F | 88.2 | Confident | 83.1 | Confident | 182 Ų | 182 | 130.3 Ų | 130.3 | 80% | 0.798 | 63% | 0.633 | S | S | * | * | trans | -73.2 | 119.5 | 175 | 176.8 | -96.7 | 0 | 0 | 0 | 110.4 | L502 | F500-L502 HydrophobicContact CE1-CD2 3.5Å; F500-L502 VanDerWaalsContact CE1-CD2 3.5Å; F500-L502 HydrophobicContact CE1-CG 3.99Å; F500-L502 HydrophobicContact CZ-CD2 3.46Å; F500-L502 VanDerWaalsContact CZ-CD2 3.46Å; F500-L502 HydrophobicContact CZ-CG 4.41Å | ||
| 501 | E | 86.2 | Confident | 81.9 | Confident | 112 Ų | 112 | 125.2 Ų | 125.2 | 52% | 0.523 | 63% | 0.626 | S | S | . | * | trans | -122.7 | 140.8 | 176.1 | -67 | -173.2 | -161.4 | 0 | 0 | 110.7 | N499 R510 | N499-E501 PolarHBondContact O-N 3.4Å; E501-R510 IonicContact OE1-NH2 3.99Å; E501-R510 IonicContact OE2-CZ 3.44Å; E501-R510 IonicContact OE2-NH1 3.59Å; E501-R510 PolarHBondContact OE2-NH1 3.02Å; E501-R510 IonicContact OE2-NH2 2.92Å; E501-R510 PolarHBondContact OE2-NH2 2.59Å | ||
| 502 | L | 85.8 | Confident | 80.3 | Confident | 54 Ų | 54 | 131.3 Ų | 131.3 | 28% | 0.283 | 64% | 0.638 | S | S | . | * | trans | -85.8 | 121.9 | 174.1 | -66.5 | 179.9 | 0 | 0 | 0 | 109.4 | F500 W504 L505 | F500-L502 HydrophobicContact CE1-CD2 3.5Å; F500-L502 VanDerWaalsContact CE1-CD2 3.5Å; F500-L502 HydrophobicContact CE1-CG 3.99Å; F500-L502 HydrophobicContact CZ-CD2 3.46Å; F500-L502 VanDerWaalsContact CZ-CD2 3.46Å; F500-L502 HydrophobicContact CZ-CG 4.41Å; L502-W504 HydrophobicContact CB-CD2 4.28Å; L502-W504 HydrophobicContact CB-CZ2 4.15Å; L502-W504 HydrophobicContact CD1-CZ2 3.86Å; L502-W504 HydrophobicContact CD2-CH2 3.75Å; L502-W504 HydrophobicContact CD2-CZ2 3.76Å; L502-W504 HydrophobicContact CD2-CZ3 4.43Å; L502-W504 HydrophobicContact CG-CZ2 4.15Å; L502-W504 PolarHBondContact O-N 3.11Å; L502-L505 HydrophobicContact CB-CB 4.3Å; L502-L505 HydrophobicContact CB-CD1 4.08Å; L502-L505 HydrophobicContact CB-CG 4.02Å; L502-L505 HydrophobicContact CD1-CD1 3.81Å; L502-L505 HydrophobicContact CD1-CG 4.32Å; L502-L505 HydrophobicContact CG-CD1 4.38Å; L502-L505 PolarHBondContact O-N 3.23Å | ||
| 503 | P | 82.9 | Confident | 78.8 | Confident | 125 Ų | 125 | 132.9 Ų | 132.9 | 81% | 0.812 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.3 | -13.1 | -174.3 | -27.3 | 35.3 | 0 | 0 | 0 | 116.2 | ||
| 504 | W | 84.8 | Confident | 77.2 | Confident | 186 Ų | 186 | 136.6 Ų | 136.6 | 71% | 0.705 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.5 | 5.2 | 179.7 | 62.3 | 82.2 | 0 | 0 | 0 | 113.7 | L502 | L502-W504 HydrophobicContact CB-CD2 4.28Å; L502-W504 HydrophobicContact CB-CZ2 4.15Å; L502-W504 HydrophobicContact CD1-CZ2 3.86Å; L502-W504 HydrophobicContact CD2-CH2 3.75Å; L502-W504 HydrophobicContact CD2-CZ2 3.76Å; L502-W504 HydrophobicContact CD2-CZ3 4.43Å; L502-W504 HydrophobicContact CG-CZ2 4.15Å; L502-W504 PolarHBondContact O-N 3.11Å |
| 505 | L | 81.9 | Confident | 75.8 | Confident | 56 Ų | 56 | 130.9 Ų | 130.9 | 29% | 0.293 | 64% | 0.638 | S | S | . | * | trans | -102 | 98.2 | 172 | -72.2 | -174.6 | 0 | 0 | 0 | 110.1 | L502 R510 | L502-L505 HydrophobicContact CB-CB 4.3Å; L502-L505 HydrophobicContact CB-CD1 4.08Å; L502-L505 HydrophobicContact CB-CG 4.02Å; L502-L505 HydrophobicContact CD1-CD1 3.81Å; L502-L505 HydrophobicContact CD1-CG 4.32Å; L502-L505 HydrophobicContact CG-CD1 4.38Å; L502-L505 PolarHBondContact O-N 3.23Å; L505-R510 PolarHBondContact O-NH1 2.87Å | ||
| 506 | D | 78.6 | Confident | 74.4 | Confident | 121 Ų | 121 | 128.8 Ų | 128.8 | 65% | 0.647 | 63% | 0.634 | S | S | * | * | trans | -55 | 151.8 | 170.6 | -66.2 | -19.6 | 0 | 0 | 0 | 111.2 | R508 S509 R510 | D506-R508 PolarHBondContact O-N 2.96Å; D506-S509 PolarHBondContact N-OG 2.7Å; D506-S509 WeakPolarHBondContact O-CA 3.31Å; D506-S509 WeakPolarHBondContact O-CB 3.15Å; D506-S509 PolarHBondContact O-N 3.33Å; D506-S509 PolarHBondContact O-OG 3.01Å; D506-R510 PolarHBondContact O-N 3.05Å | ||
| 507 | E | 71.8 | Confident | 73 | Confident | 124 Ų | 124 | 134.8 Ų | 134.8 | 58% | 0.579 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -46.4 | -39.9 | 175.5 | -152.9 | 64.7 | -99.4 | 0 | 0 | 113 | S509 R510 C511 | E507-S509 VanDerWaalsContact C-N 3.27Å; E507-S509 PolarHBondContact O-N 3.12Å; E507-R510 WeakPolarHBondContact O-CB 3.34Å; E507-R510 PolarHBondContact O-N 3.47Å; E507-R510 VanDerWaalsContact O-N 3.16Å; E507-R510 IonicContact OE1-CZ 2.68Å; E507-R510 IonicContact OE1-NE 2.75Å; E507-R510 PolarHBondContact OE1-NE 2.98Å; E507-R510 IonicContact OE1-NH2 3.32Å; E507-R510 PolarHBondContact OE1-NH2 3.21Å; E507-R510 IonicContact OE2-CZ 3.15Å; E507-R510 IonicContact OE2-NE 3.67Å; E507-R510 IonicContact OE2-NH2 2.76Å; E507-R510 PolarHBondContact OE2-NH2 3.21Å; E507-C511 PolarHBondContact O-N 2.97Å; E507-C511 PolarHBondContact O-SG 3.05Å |
| 508 | R | 66.6 | Low | 71.4 | Confident | 234 Ų | 234 | 134.3 Ų | 134.3 | 88% | 0.883 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -63.2 | -29 | 177.2 | -109.1 | 179 | 174.4 | -164.6 | -1.5 | 114.3 | D506 | D506-R508 PolarHBondContact O-N 2.96Å |
| 509 | S | 64.4 | Low | 70 | Confident | 45 Ų | 45 | 134.1 Ų | 134.1 | 32% | 0.315 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -75.7 | -37 | 176 | -24.7 | 0 | 0 | 0 | 0 | 111.1 | D506 E507 R512 | D506-S509 PolarHBondContact N-OG 2.7Å; D506-S509 WeakPolarHBondContact O-CA 3.31Å; D506-S509 WeakPolarHBondContact O-CB 3.15Å; D506-S509 PolarHBondContact O-N 3.33Å; D506-S509 PolarHBondContact O-OG 3.01Å; E507-S509 VanDerWaalsContact C-N 3.27Å; E507-S509 PolarHBondContact O-N 3.12Å; S509-R512 PolarHBondContact O-N 2.99Å |
| 510 | R | 62 | Low | 68.4 | Low | 68 Ų | 68 | 132.7 Ų | 132.7 | 26% | 0.257 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -61.3 | -45.7 | -177.1 | -60.3 | -164.7 | -97.3 | -131.5 | 28.7 | 111.4 | E501 L505 D506 E507 R512 I513 | E501-R510 IonicContact OE1-NH2 3.99Å; E501-R510 IonicContact OE2-CZ 3.44Å; E501-R510 IonicContact OE2-NH1 3.59Å; E501-R510 PolarHBondContact OE2-NH1 3.02Å; E501-R510 IonicContact OE2-NH2 2.92Å; E501-R510 PolarHBondContact OE2-NH2 2.59Å; L505-R510 PolarHBondContact O-NH1 2.87Å; D506-R510 PolarHBondContact O-N 3.05Å; E507-R510 WeakPolarHBondContact O-CB 3.34Å; E507-R510 PolarHBondContact O-N 3.47Å; E507-R510 VanDerWaalsContact O-N 3.16Å; E507-R510 IonicContact OE1-CZ 2.68Å; E507-R510 IonicContact OE1-NE 2.75Å; E507-R510 PolarHBondContact OE1-NE 2.98Å; E507-R510 IonicContact OE1-NH2 3.32Å; E507-R510 PolarHBondContact OE1-NH2 3.21Å; E507-R510 IonicContact OE2-CZ 3.15Å; E507-R510 IonicContact OE2-NE 3.67Å; E507-R510 IonicContact OE2-NH2 2.76Å; E507-R510 PolarHBondContact OE2-NH2 3.21Å; R510-R512 PolarHBondContact O-N 3.35Å; R510-I513 PolarHBondContact O-N 3.43Å |
| 511 | C | 56.8 | Low | 66.9 | Low | 89 Ų | 89 | 129.7 Ų | 129.7 | 60% | 0.601 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.8 | -14.5 | 177.8 | -53.8 | 0 | 0 | 0 | 0 | 115.4 | E507 | E507-C511 PolarHBondContact O-N 2.97Å; E507-C511 PolarHBondContact O-SG 3.05Å |
| 512 | R | 56.1 | Low | 65.4 | Low | 212 Ų | 212 | 131.9 Ų | 131.9 | 80% | 0.8 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | -14.8 | -176.6 | -147.9 | -177.1 | -170.4 | -155 | 3.3 | 113.8 | S509 R510 | S509-R512 PolarHBondContact O-N 2.99Å; R510-R512 PolarHBondContact O-N 3.35Å |
| 513 | I | 57.4 | Low | 64 | Low | 135 Ų | 135 | 141 Ų | 141 | 69% | 0.692 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.2 | -30.5 | 179.9 | -63 | 173.3 | 0 | 0 | 0 | 110.8 | R510 V515 | R510-I513 PolarHBondContact O-N 3.43Å; I513-V515 PolarHBondContact O-N 3.1Å |
| 514 | E | 56.9 | Low | 63 | Low | 170 Ų | 170 | 141 Ų | 141 | 79% | 0.794 | 68% | 0.676 | S | S | * | * | trans | -81.2 | 14 | -178.1 | -59.7 | -167.9 | 156.7 | 0 | 0 | 115 | P516 | E514-P516 WeakPolarHBondContact O-CD 3.45Š| ||
| 515 | V | 58.9 | Low | 61.3 | Low | 95 Ų | 95 | 138.2 Ų | 138.2 | 58% | 0.576 | 68% | 0.684 | S | S | * | * | trans | -73.5 | 112.5 | 174 | -171.8 | 0 | 0 | 0 | 0 | 108.4 | I513 K517 | I513-V515 PolarHBondContact O-N 3.1Å; V515-K517 PolarHBondContact O-N 3.43Å | ||
| 516 | P | 59.5 | Low | 60 | Low | 109 Ų | 109 | 147.1 Ų | 147.1 | 71% | 0.708 | 71% | 0.714 | S | S | * | * | trans | -62 | 132.6 | -177.4 | 25.2 | -33.9 | 0 | 0 | 0 | 109.9 | E514 K518 | E514-P516 WeakPolarHBondContact O-CD 3.45Å; P516-K518 PolarHBondContact O-N 3Å | ||
| 517 | K | 61.4 | Low | 59 | Low | 213 Ų | 213 | 154.9 Ų | 154.9 | 93% | 0.926 | 74% | 0.742 | S | S | * | * | trans | -48.8 | 108.9 | 177.4 | -86.6 | 178.9 | 174.9 | 171.9 | 0 | 109.6 | V515 H519 | V515-K517 PolarHBondContact O-N 3.43Å; K517-H519 PolarHBondContact O-N 3.47Å | ||
| 518 | K | 59.9 | Low | 58.4 | Low | 191 Ų | 191 | 156.4 Ų | 156.4 | 83% | 0.83 | 75% | 0.75 | S | S | * | * | trans | -63.1 | 122.4 | 174.1 | -69.9 | -155.4 | 174.3 | -168.3 | 0 | 108.9 | P516 T520 | P516-K518 PolarHBondContact O-N 3Å; K518-T520 PolarHBondContact O-N 3.29Å; K518-T520 VanDerWaalsContact O-N 3.11Å | ||
| 519 | H | 60.8 | Low | 57.9 | Low | 150 Ų | 150 | 152.3 Ų | 152.3 | 69% | 0.694 | 74% | 0.743 | S | S | * | * | trans | -53.8 | 113.8 | 177.3 | -169.7 | -34.8 | 0 | 0 | 0 | 109.6 | K517 H522 | K517-H519 PolarHBondContact O-N 3.47Å; H519-H522 AromaticContact CE1-CD2 3.75Å; H519-H522 AromaticContact CE1-NE2 3.74Å | ||
| 520 | T | 56.2 | Low | 57.6 | Low | 115 Ų | 115 | 158.3 Ų | 158.3 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 128.9 | 170.3 | 27.5 | 0 | 0 | 0 | 0 | 108.6 | K518 H522 | K518-T520 PolarHBondContact O-N 3.29Å; K518-T520 VanDerWaalsContact O-N 3.11Å; T520-H522 PolarHBondContact O-N 3.24Å |
| 521 | P | 56.8 | Low | 57.3 | Low | 120 Ų | 120 | 163.6 Ų | 163.6 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 131 | 178.8 | 27.4 | -32.9 | 0 | 0 | 0 | 109.4 | R523 | P521-R523 PolarHBondContact O-N 3.12Š|
| 522 | H | 54 | Low | 57.3 | Low | 158 Ų | 158 | 168.3 Ų | 168.3 | 73% | 0.731 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 124.1 | -179.6 | -75.4 | -87.3 | 0 | 0 | 0 | 110.7 | H519 T520 T524 | H519-H522 AromaticContact CE1-CD2 3.75Å; H519-H522 AromaticContact CE1-NE2 3.74Å; T520-H522 PolarHBondContact O-N 3.24Å; H522-T524 PolarHBondContact O-N 3.19Å; H522-T524 VanDerWaalsContact O-N 3.08Å |
| 523 | R | 55.7 | Low | 57.4 | Low | 244 Ų | 244 | 165.3 Ų | 165.3 | 92% | 0.921 | 81% | 0.809 | S | S | * | * | trans | -68.8 | 104 | 172.6 | -163.7 | -177 | -164.9 | -149.6 | 5.4 | 108 | P521 C525 | P521-R523 PolarHBondContact O-N 3.12Å; R523-C525 PolarHBondContact O-N 2.99Å | ||
| 524 | T | 63.4 | Low | 57.4 | Low | 125 Ų | 125 | 167.5 Ų | 167.5 | 77% | 0.767 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 125.7 | 179.7 | 46.5 | 0 | 0 | 0 | 0 | 110.4 | H522 R526 | H522-T524 PolarHBondContact O-N 3.19Å; H522-T524 VanDerWaalsContact O-N 3.08Å; T524-R526 PolarHBondContact O-N 3.22Å |
| 525 | C | 48.5 | Very low | 57.5 | Low | 128 Ų | 128 | 167.3 Ų | 167.3 | 87% | 0.865 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 129.4 | 168.3 | -73.9 | 0 | 0 | 0 | 0 | 109.2 | R523 | R523-C525 PolarHBondContact O-N 2.99Š|
| 526 | R | 54.4 | Low | 57.3 | Low | 244 Ų | 244 | 173.3 Ų | 173.3 | 92% | 0.921 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 142.6 | 159.1 | -70.4 | -172.2 | 173.5 | -151.5 | -2 | 108.3 | T524 | T524-R526 PolarHBondContact O-N 3.22Š|
| 527 | K | 57.4 | Low | 57.1 | Low | 283 Ų | 283 | 179.2 Ų | 179.2 | 100% | 1.23 | 85% | 0.852 | S | S | * | * | trans | -68.6 | 0 | 172.6 | -70.4 | -177.8 | 175 | -178.5 | 0 | 110.8 |
Retrieved 527 of 527 residues in 224.1 ms
(Link to these results)