| 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 | 38.8 | Very low | 44.4 | Very low | 233 Ų | 233 | 140.6 Ų | 140.6 | 100% | 1.148 | 81% | 0.811 | S | S | * | * | 0 | 134.9 | 0 | -77.3 | 176.7 | 170 | 0 | 0 | 107.7 | |||||
| 2 | L | 43.7 | Very low | 44.8 | Very low | 175 Ų | 175 | 148.4 Ų | 148.4 | 92% | 0.916 | 82% | 0.82 | S | S | * | * | trans | 59.7 | 161.5 | 171.7 | -81.3 | 60.4 | 0 | 0 | 0 | 115.4 | ||||
| 3 | A | 45 | Very low | 44.7 | Very low | 104 Ų | 104 | 142.8 Ų | 142.8 | 86% | 0.86 | 82% | 0.817 | S | S | * | * | cis | -118.2 | 172.2 | -2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 4 | S | 44.8 | Very low | 45 | Very low | 94 Ų | 94 | 142.4 Ų | 142.4 | 66% | 0.657 | 82% | 0.818 | S | S | * | * | trans | -121.1 | 145.7 | -171.3 | -167.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 5 | Q | 47.8 | Very low | 45.4 | Very low | 184 Ų | 184 | 140.5 Ų | 140.5 | 86% | 0.86 | 81% | 0.813 | S | S | * | * | trans | 48.1 | 135.1 | 149.8 | -69.8 | 169.5 | 14.6 | 0 | 0 | 121.5 | ||||
| 6 | G | 42 | Very low | 45.1 | Very low | 82 Ų | 82 | 142.9 Ų | 142.9 | 85% | 0.845 | 82% | 0.817 | S | S | * | * | trans | -161.9 | 99.4 | 160.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 7 | V | 47.9 | Very low | 45.3 | Very low | 115 Ų | 115 | 143.8 Ų | 143.8 | 70% | 0.697 | 82% | 0.816 | S | S | * | * | trans | -106.6 | 139.5 | -174.1 | 173.7 | 0 | 0 | 0 | 0 | 110.3 | L9 | V7-L9 HydrophobicContact CG1-CD1 4.46Å; V7-L9 HydrophobicContact CG1-CG 3.92Å | ||
| 8 | L | 42.6 | Very low | 45.5 | Very low | 152 Ų | 152 | 142.7 Ų | 142.7 | 80% | 0.796 | 81% | 0.813 | S | S | * | * | trans | -131.1 | 119.4 | 157.7 | -165.8 | 71.2 | 0 | 0 | 0 | 110 | ||||
| 9 | L | 39.8 | Very low | 45.6 | Very low | 145 Ų | 145 | 141.3 Ų | 141.3 | 76% | 0.759 | 81% | 0.81 | S | S | * | * | trans | -90.8 | 137.8 | -178.9 | -71.8 | 157.2 | 0 | 0 | 0 | 110.7 | V7 | V7-L9 HydrophobicContact CG1-CD1 4.46Å; V7-L9 HydrophobicContact CG1-CG 3.92Å | ||
| 10 | H | 42.9 | Very low | 45.4 | Very low | 172 Ų | 172 | 139 Ų | 139 | 80% | 0.796 | 81% | 0.808 | S | S | * | * | trans | -118.4 | 111.6 | 159.1 | -75.1 | 88.6 | 0 | 0 | 0 | 108.1 | ||||
| 11 | P | 52.9 | Low | 45.4 | Very low | 91 Ų | 91 | 136.3 Ų | 136.3 | 59% | 0.591 | 80% | 0.803 | S | S | * | * | trans | -92.9 | 141.4 | -177.4 | 35.9 | -33.7 | 0 | 0 | 0 | 112.1 | ||||
| 12 | Y | 50 | Low | 46 | Very low | 234 Ų | 234 | 131.2 Ų | 131.2 | 92% | 0.918 | 79% | 0.787 | S | S | * | * | trans | 66.1 | 135.1 | 175.1 | -38.3 | -76.2 | 0 | 0 | 0 | 116.4 | ||||
| 13 | G | 43.1 | Very low | 45.7 | Very low | 75 Ų | 75 | 133.6 Ų | 133.6 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | cis | 140.9 | 48.6 | -15.8 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 14 | V | 48.8 | Very low | 45.8 | Very low | 138 Ų | 138 | 136.1 Ų | 136.1 | 84% | 0.836 | 78% | 0.784 | S | S | * | * | trans | -149.8 | 136.2 | 158.3 | 174.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 15 | P | 51 | Low | 45.9 | Very low | 114 Ų | 114 | 137.5 Ų | 137.5 | 74% | 0.74 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 141.5 | 176 | 33.1 | -34.5 | 0 | 0 | 0 | 113.3 | ||
| 16 | M | 41.4 | Very low | 45.4 | Very low | 178 Ų | 178 | 132.3 Ų | 132.3 | 88% | 0.877 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -87.6 | 123 | 167.4 | -77.2 | -75 | -80.2 | 0 | 0 | 110.3 | ||
| 17 | I | 47.3 | Very low | 45.5 | Very low | 158 Ų | 158 | 137 Ų | 137 | 81% | 0.81 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 119.9 | 174.6 | -66.4 | 171.8 | 0 | 0 | 0 | 108.9 | ||
| 18 | V | 49.3 | Very low | 45.1 | Very low | 124 Ų | 124 | 138.7 Ų | 138.7 | 75% | 0.752 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -93.6 | 124.1 | 171.6 | -178.1 | 0 | 0 | 0 | 0 | 108.6 | A20 | V18-A20 PolarHBondContact O-N 3.29Š|
| 19 | P | 48.2 | Very low | 44.8 | Very low | 116 Ų | 116 | 140.1 Ų | 140.1 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 119.1 | 174 | 28 | -32.6 | 0 | 0 | 0 | 109.9 | ||
| 20 | A | 39.9 | Very low | 44.4 | Very low | 95 Ų | 95 | 136.6 Ų | 136.6 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 133.4 | -179 | 0 | 0 | 0 | 0 | 0 | 111.8 | V18 | V18-A20 PolarHBondContact O-N 3.29Š|
| 21 | A | 45.5 | Very low | 44.2 | Very low | 83 Ų | 83 | 136 Ų | 136 | 69% | 0.686 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 129.1 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y23 | A21-Y23 PolarHBondContact O-N 3.22Š|
| 22 | P | 52.9 | Low | 43.5 | Very low | 126 Ų | 126 | 140.9 Ų | 140.9 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | trans | -75.8 | 107.9 | 177.4 | 29.5 | -32.8 | 0 | 0 | 0 | 110.9 | ||||
| 23 | Y | 37.3 | Very low | 42.7 | Very low | 226 Ų | 226 | 138.4 Ų | 138.4 | 89% | 0.886 | 81% | 0.81 | S | S | * | * | trans | -68.6 | 133.9 | 160.7 | -91.9 | -101.9 | 0 | 0 | 0 | 109.8 | A21 | A21-Y23 PolarHBondContact O-N 3.22Š| ||
| 24 | L | 45.8 | Very low | 42.3 | Very low | 157 Ų | 157 | 139.6 Ų | 139.6 | 82% | 0.822 | 81% | 0.813 | S | S | * | * | trans | -116 | 138.5 | 159.4 | -82.8 | 170.4 | 0 | 0 | 0 | 109 | ||||
| 25 | P | 48.6 | Very low | 41.6 | Very low | 123 Ų | 123 | 137.8 Ų | 137.8 | 80% | 0.799 | 81% | 0.813 | S | S | * | * | trans | -74.3 | 145.3 | 179.7 | 31.6 | -34.6 | 0 | 0 | 0 | 111.1 | ||||
| 26 | G | 36 | Very low | 40.8 | Very low | 75 Ų | 75 | 137.4 Ų | 137.4 | 77% | 0.773 | 82% | 0.819 | S | S | * | * | trans | -86.8 | 174.1 | -177 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 27 | L | 44.9 | Very low | 40.8 | Very low | 179 Ų | 179 | 133.3 Ų | 133.3 | 94% | 0.937 | 81% | 0.813 | S | S | * | * | trans | -125.5 | 158.7 | 160 | -95.5 | 170.5 | 0 | 0 | 0 | 109.9 | ||||
| 28 | I | 39.1 | Very low | 40.9 | Very low | 151 Ų | 151 | 131.5 Ų | 131.5 | 77% | 0.774 | 81% | 0.812 | S | S | * | * | trans | -96.9 | 156.4 | -169.8 | -61.9 | 166.2 | 0 | 0 | 0 | 109.9 | ||||
| 29 | Q | 35.1 | Very low | 40.4 | Very low | 182 Ų | 182 | 132.8 Ų | 132.8 | 85% | 0.85 | 82% | 0.815 | S | S | * | * | trans | 137.7 | 130.1 | 132.7 | -157.3 | 94.7 | -7.7 | 0 | 0 | 114.1 | ||||
| 30 | G | 31.7 | Very low | 39.9 | Very low | 72 Ų | 72 | 133.5 Ų | 133.5 | 74% | 0.742 | 82% | 0.817 | S | S | * | * | trans | 103 | 97.1 | 143.9 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 31 | N | 39 | Very low | 40 | Very low | 159 Ų | 159 | 137.8 Ų | 137.8 | 85% | 0.85 | 82% | 0.823 | S | S | * | * | trans | -96.7 | 126.5 | 152.5 | -106.4 | 19.9 | 0 | 0 | 0 | 109.1 | ||||
| 32 | Q | 37.7 | Very low | 40 | Very low | 193 Ų | 193 | 137.9 Ų | 137.9 | 90% | 0.902 | 82% | 0.824 | S | S | * | * | trans | -166.1 | 170.3 | 155.4 | -121.1 | 148.4 | 98.7 | 0 | 0 | 111.7 | ||||
| 33 | E | 34.8 | Very low | 39.3 | Very low | 182 Ų | 182 | 139.2 Ų | 139.2 | 85% | 0.85 | 82% | 0.819 | S | S | * | * | trans | -110.3 | 158.4 | -152.5 | -65.4 | 156.1 | 86.4 | 0 | 0 | 115.7 | ||||
| 34 | A | 34.4 | Very low | 39.7 | Very low | 101 Ų | 101 | 133.8 Ų | 133.8 | 84% | 0.835 | 81% | 0.812 | S | S | * | * | trans | 77 | 141.3 | 145.8 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 35 | A | 33.8 | Very low | 39.2 | Very low | 100 Ų | 100 | 136.1 Ų | 136.1 | 83% | 0.826 | 81% | 0.811 | S | S | * | * | trans | 109.5 | 134 | 139.3 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 36 | A | 34.5 | Very low | 38.9 | Very low | 106 Ų | 106 | 135.1 Ų | 135.1 | 88% | 0.876 | 81% | 0.813 | S | S | * | * | trans | 71.3 | 133.7 | 159.1 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 37 | A | 40 | Very low | 38.8 | Very low | 91 Ų | 91 | 136.6 Ų | 136.6 | 75% | 0.752 | 81% | 0.812 | S | S | * | * | trans | -100.4 | 177.3 | 161.5 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 38 | P | 50.3 | Low | 38.4 | Very low | 121 Ų | 121 | 133.3 Ų | 133.3 | 79% | 0.786 | 81% | 0.81 | S | S | * | * | -144.4 | 176.9 | 90.8 | 38.6 | -22.7 | 0 | 0 | 0 | 115.7 | |||||
| 39 | D | 39.6 | Very low | 38.3 | Very low | 151 Ų | 151 | 135.1 Ų | 135.1 | 81% | 0.807 | 82% | 0.815 | S | S | * | * | trans | -54.7 | 151.8 | -175.4 | -59.1 | -115.9 | 0 | 0 | 0 | 117.3 | ||||
| 40 | T | 37.7 | Very low | 38.6 | Very low | 130 Ų | 130 | 136.9 Ų | 136.9 | 80% | 0.798 | 82% | 0.821 | S | S | * | * | trans | -150.7 | 120.3 | 139 | -41.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 41 | M | 42.3 | Very low | 39.3 | Very low | 185 Ų | 185 | 137.6 Ų | 137.6 | 91% | 0.911 | 82% | 0.819 | S | S | * | * | trans | 43.1 | 127.6 | 157.2 | -67.9 | -175.8 | 169.7 | 0 | 0 | 121.9 | ||||
| 42 | A | 44 | Very low | 39.8 | Very low | 85 Ų | 85 | 135.2 Ų | 135.2 | 70% | 0.702 | 81% | 0.813 | S | S | * | * | trans | -86.9 | 148.4 | 164.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 43 | Q | 39.3 | Very low | 40.4 | Very low | 154 Ų | 154 | 132.3 Ų | 132.3 | 72% | 0.72 | 81% | 0.811 | S | S | * | * | trans | -149.1 | 136.4 | 144.4 | -83.9 | -50 | -72.1 | 0 | 0 | 111 | Y45 | Q43-Y45 HydrophobicContact CB-CD2 4.32Å; Q43-Y45 HydrophobicContact CB-CE2 4.11Å | ||
| 44 | P | 45.7 | Very low | 40.8 | Very low | 113 Ų | 113 | 132.1 Ų | 132.1 | 73% | 0.734 | 81% | 0.809 | S | S | * | * | trans | -86.7 | 127 | 163.4 | 33.6 | -28.7 | 0 | 0 | 0 | 110.2 | ||||
| 45 | Y | 35.5 | Very low | 40.9 | Very low | 206 Ų | 206 | 135.1 Ų | 135.1 | 81% | 0.808 | 81% | 0.812 | S | S | * | * | trans | -102.4 | 116.5 | 174.6 | -93.5 | -83.2 | 0 | 0 | 0 | 112.3 | Q43 | Q43-Y45 HydrophobicContact CB-CD2 4.32Å; Q43-Y45 HydrophobicContact CB-CE2 4.11Å | ||
| 46 | A | 40.5 | Very low | 40.9 | Very low | 102 Ų | 102 | 134 Ų | 134 | 84% | 0.843 | 81% | 0.809 | S | S | * | * | trans | -132.7 | 92.7 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 47 | S | 34.7 | Very low | 41.3 | Very low | 106 Ų | 106 | 136.9 Ų | 136.9 | 74% | 0.741 | 81% | 0.808 | S | S | * | * | trans | -166 | 110.4 | 168.4 | 42.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 48 | A | 36.7 | Very low | 41.6 | Very low | 109 Ų | 109 | 138 Ų | 138 | 90% | 0.901 | 81% | 0.808 | S | S | * | * | trans | -155.4 | 55.9 | 168.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 49 | Q | 37.2 | Very low | 41.2 | Very low | 189 Ų | 189 | 136.8 Ų | 136.8 | 88% | 0.883 | 81% | 0.808 | S | S | * | * | trans | -92.6 | 121.8 | 164.4 | -71.5 | -179.4 | -73.7 | 0 | 0 | 109.3 | ||||
| 50 | F | 40.4 | Very low | 40.8 | Very low | 220 Ų | 220 | 139 Ų | 139 | 97% | 0.965 | 81% | 0.813 | S | S | * | * | trans | -145.7 | 155.1 | 147.9 | -111.5 | -79.7 | 0 | 0 | 0 | 109.8 | ||||
| 51 | A | 47.4 | Very low | 41.1 | Very low | 86 Ų | 86 | 143.4 Ų | 143.4 | 71% | 0.711 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -98.8 | 165.7 | -152.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 52 | P | 49.2 | Very low | 40.6 | Very low | 110 Ų | 110 | 141.2 Ų | 141.2 | 71% | 0.714 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 163.8 | -173.5 | 35.6 | -36.5 | 0 | 0 | 0 | 113.6 | ||
| 53 | P | 51.3 | Low | 40.3 | Very low | 132 Ų | 132 | 141.1 Ų | 141.1 | 86% | 0.857 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 135.3 | 167.9 | 29.7 | -34.1 | 0 | 0 | 0 | 111.4 | ||
| 54 | Q | 41.8 | Very low | 40.8 | Very low | 177 Ų | 177 | 138.3 Ų | 138.3 | 83% | 0.827 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -89.8 | 147.9 | 171.7 | -69.9 | -177.7 | -30.5 | 0 | 0 | 111.8 | ||
| 55 | N | 37.2 | Very low | 40.3 | Very low | 165 Ų | 165 | 141.4 Ų | 141.4 | 88% | 0.882 | 81% | 0.813 | S | S | * | * | trans | 148.6 | 134.1 | 143.2 | -77.9 | -9.8 | 0 | 0 | 0 | 109.4 | ||||
| 56 | G | 33.6 | Very low | 40.6 | Very low | 75 Ų | 75 | 137.4 Ų | 137.4 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | cis | -174.4 | 103.7 | -5.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 57 | I | 42.9 | Very low | 40.3 | Very low | 168 Ų | 168 | 141.1 Ų | 141.1 | 86% | 0.862 | 81% | 0.812 | S | S | * | * | trans | -69.4 | 161.7 | 176.3 | 50.4 | 165.4 | 0 | 0 | 0 | 111 | ||||
| 58 | P | 45.7 | Very low | 40.6 | Very low | 113 Ų | 113 | 142.2 Ų | 142.2 | 73% | 0.734 | 82% | 0.816 | S | S | * | * | cis | -141.8 | 173.8 | 29.6 | 42.5 | -23.4 | 0 | 0 | 0 | 118.8 | ||||
| 59 | A | 41.8 | Very low | 40.5 | Very low | 97 Ų | 97 | 141.2 Ų | 141.2 | 80% | 0.802 | 81% | 0.808 | S | S | * | * | trans | -105.4 | 138.5 | 153.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 60 | E | 32.9 | Very low | 41 | Very low | 196 Ų | 196 | 137.8 Ų | 137.8 | 92% | 0.916 | 80% | 0.803 | S | S | * | * | trans | -148.8 | 167.8 | 162.4 | -133.6 | -180 | 135.3 | 0 | 0 | 111.8 | ||||
| 61 | Y | 42.1 | Very low | 40.5 | Very low | 224 Ų | 224 | 136.9 Ų | 136.9 | 88% | 0.878 | 80% | 0.801 | S | S | * | * | trans | -72.8 | 145.4 | -168.4 | -112.9 | -118 | 0 | 0 | 0 | 114 | ||||
| 62 | T | 33.5 | Very low | 39.7 | Very low | 138 Ų | 138 | 141.5 Ų | 141.5 | 85% | 0.847 | 80% | 0.802 | S | S | * | * | trans | 172.9 | 157.4 | 134 | -77.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 63 | A | 36.8 | Very low | 39 | Very low | 84 Ų | 84 | 143 Ų | 143 | 69% | 0.694 | 81% | 0.809 | S | S | * | * | trans | -132.7 | 179.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 64 | P | 49.1 | Very low | 38.3 | Very low | 94 Ų | 94 | 140.1 Ų | 140.1 | 61% | 0.61 | 80% | 0.804 | S | S | * | * | cis | -127.1 | 168.8 | -45.2 | 33.1 | -17.5 | 0 | 0 | 0 | 113.3 | ||||
| 65 | H | 36.3 | Very low | 37.9 | Very low | 179 Ų | 179 | 140 Ų | 140 | 83% | 0.829 | 80% | 0.803 | S | S | * | * | trans | 67.7 | 168.4 | 170.3 | -44.9 | -62.4 | 0 | 0 | 0 | 116.3 | ||||
| 66 | P | 42.1 | Very low | 37.8 | Very low | 122 Ų | 122 | 137.6 Ų | 137.6 | 79% | 0.792 | 79% | 0.794 | S | S | * | * | cis | -121.3 | -170.4 | -6.3 | 41.7 | -27.1 | 0 | 0 | 0 | 114.3 | ||||
| 67 | H | 34.2 | Very low | 37.9 | Very low | 179 Ų | 179 | 140 Ų | 140 | 83% | 0.829 | 79% | 0.794 | S | S | * | * | trans | -71.1 | 165 | 176.9 | -56.1 | -93.2 | 0 | 0 | 0 | 113.3 | ||||
| 68 | P | 41.5 | Very low | 37.8 | Very low | 129 Ų | 129 | 138.1 Ų | 138.1 | 84% | 0.838 | 79% | 0.79 | S | S | * | * | -133.1 | 165.5 | 91.1 | 39.1 | -30.6 | 0 | 0 | 0 | 115.5 | |||||
| 69 | A | 32.9 | Very low | 37.7 | Very low | 89 Ų | 89 | 138.2 Ų | 138.2 | 74% | 0.736 | 79% | 0.791 | S | S | * | * | trans | -95.2 | -174.9 | 168.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 70 | P | 49.4 | Very low | 37.1 | Very low | 117 Ų | 117 | 140.6 Ų | 140.6 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | cis | -139.1 | 168.5 | 6.2 | 43 | -25.9 | 0 | 0 | 0 | 117.2 | ||||
| 71 | E | 28.8 | Very low | 37.1 | Very low | 200 Ų | 200 | 140.1 Ų | 140.1 | 94% | 0.935 | 78% | 0.783 | S | S | * | * | trans | -155.5 | 159.8 | 131.7 | -116.4 | 168.3 | -161 | 0 | 0 | 109.5 | ||||
| 72 | Y | 31.4 | Very low | 36.9 | Very low | 184 Ų | 184 | 134.9 Ų | 134.9 | 72% | 0.722 | 77% | 0.774 | S | S | * | * | trans | -139.9 | 127.7 | -154.7 | -178.6 | -85.2 | 0 | 0 | 0 | 113.8 | ||||
| 73 | T | 34.6 | Very low | 37.1 | Very low | 140 Ų | 140 | 136.6 Ų | 136.6 | 86% | 0.859 | 78% | 0.777 | S | S | * | * | trans | -176.5 | 135.8 | 138.5 | 19.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 74 | G | 35.5 | Very low | 37.1 | Very low | 73 Ų | 73 | 140.6 Ų | 140.6 | 75% | 0.753 | 79% | 0.787 | S | S | * | * | trans | 135.9 | 89 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 75 | Q | 34.3 | Very low | 36.3 | Very low | 175 Ų | 175 | 142.8 Ų | 142.8 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | -79.3 | 154.8 | 164.8 | -66.2 | 166.7 | -90.4 | 0 | 0 | 108.7 | ||||
| 76 | T | 34.1 | Very low | 36.3 | Very low | 113 Ų | 113 | 144.7 Ų | 144.7 | 69% | 0.693 | 79% | 0.794 | S | S | * | * | cis | -160.1 | 144.7 | 42.2 | -165.7 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 77 | T | 36.6 | Very low | 37.3 | Very low | 125 Ų | 125 | 143.9 Ų | 143.9 | 77% | 0.767 | 79% | 0.789 | S | S | * | * | trans | 35.4 | 115.7 | 146.8 | 55.8 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 78 | V | 39.2 | Very low | 37.8 | Very low | 130 Ų | 130 | 141.8 Ų | 141.8 | 79% | 0.788 | 79% | 0.791 | S | S | * | * | trans | -97.7 | 163.1 | 146.1 | -139.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 79 | P | 44 | Very low | 37.3 | Very low | 114 Ų | 114 | 140 Ų | 140 | 74% | 0.74 | 79% | 0.787 | S | S | * | * | -134.8 | 145.8 | 80.3 | 19.4 | 3 | 0 | 0 | 0 | 113 | |||||
| 80 | E | 30.3 | Very low | 37.3 | Very low | 147 Ų | 147 | 144.4 Ų | 144.4 | 69% | 0.687 | 79% | 0.792 | S | S | * | * | 76.9 | 126.9 | 60.2 | -162.2 | 178.4 | 127.4 | 0 | 0 | 113.4 | T82 | E80-T82 HydrophobicContact CG-CG2 4.47Š| |||
| 81 | H | 33.4 | Very low | 36.3 | Very low | 187 Ų | 187 | 144.7 Ų | 144.7 | 87% | 0.866 | 79% | 0.792 | S | S | * | * | trans | -123.1 | 119.9 | -178.6 | -49.1 | -56.1 | 0 | 0 | 0 | 109.9 | ||||
| 82 | T | 36 | Very low | 36.4 | Very low | 114 Ų | 114 | 142.4 Ų | 142.4 | 70% | 0.699 | 78% | 0.781 | S | S | * | * | trans | -128.1 | 142.4 | 179.7 | 45.2 | 0 | 0 | 0 | 0 | 113 | E80 | E80-T82 HydrophobicContact CG-CG2 4.47Š| ||
| 83 | L | 38 | Very low | 36.6 | Very low | 173 Ų | 173 | 139.2 Ų | 139.2 | 91% | 0.906 | 79% | 0.786 | S | S | * | * | trans | -11.1 | 134.6 | 169.2 | -72.6 | 143.5 | 0 | 0 | 0 | 118.4 | ||||
| 84 | N | 36.7 | Very low | 36.4 | Very low | 169 Ų | 169 | 139.2 Ų | 139.2 | 90% | 0.904 | 78% | 0.776 | S | S | * | * | trans | -118.5 | 141.1 | 167.7 | -140.3 | -5.3 | 0 | 0 | 0 | 110.3 | ||||
| 85 | L | 32.4 | Very low | 36.3 | Very low | 140 Ų | 140 | 143.7 Ų | 143.7 | 73% | 0.733 | 78% | 0.777 | S | S | * | * | trans | -141 | 100.7 | -161 | -169 | 68.2 | 0 | 0 | 0 | 113.6 | ||||
| 86 | Y | 37.1 | Very low | 36.3 | Very low | 219 Ų | 219 | 140.4 Ų | 140.4 | 86% | 0.859 | 77% | 0.774 | S | S | * | * | trans | 65.5 | 167.8 | 169.3 | -75.2 | -66.9 | 0 | 0 | 0 | 117.3 | ||||
| 87 | P | 63.8 | Low | 37.1 | Very low | 105 Ų | 105 | 141 Ų | 141 | 68% | 0.682 | 78% | 0.78 | S | S | * | * | trans | -123.1 | -179.1 | -147.7 | 45.2 | -33.7 | 0 | 0 | 0 | 115.4 | ||||
| 88 | P | 43.4 | Very low | 37 | Very low | 135 Ų | 135 | 138.9 Ų | 138.9 | 88% | 0.877 | 78% | 0.775 | S | S | * | * | -134.8 | -164.7 | 122 | 35.5 | -21.7 | 0 | 0 | 0 | 113.3 | |||||
| 89 | A | 31.7 | Very low | 36.7 | Very low | 90 Ų | 90 | 139.9 Ų | 139.9 | 74% | 0.744 | 78% | 0.776 | S | S | * | * | trans | -133.6 | -176.1 | -162.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 90 | Q | 33.1 | Very low | 36.2 | Very low | 182 Ų | 182 | 139.9 Ų | 139.9 | 85% | 0.85 | 77% | 0.774 | S | S | * | * | trans | 81.1 | 146.6 | 175.1 | -50.1 | -176.6 | 3.4 | 0 | 0 | 114.7 | ||||
| 91 | T | 27.4 | Very low | 36.4 | Very low | 124 Ų | 124 | 138.3 Ų | 138.3 | 76% | 0.761 | 78% | 0.779 | S | S | * | * | cis | -155 | 169 | 3.1 | -8.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 92 | H | 31.5 | Very low | 36.5 | Very low | 151 Ų | 151 | 133.2 Ų | 133.2 | 70% | 0.699 | 77% | 0.77 | S | S | * | * | trans | -15.7 | 147.4 | 165.5 | -101.1 | -102.8 | 0 | 0 | 0 | 121.1 | E94 | H92-E94 IonicContact CE1-OE2 3.24Š| ||
| 93 | S | 35.7 | Very low | 36.7 | Very low | 118 Ų | 118 | 136.5 Ų | 136.5 | 83% | 0.825 | 78% | 0.777 | S | S | * | * | -168.5 | 148.3 | 112.9 | -78.1 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 94 | E | 29.3 | Very low | 36.4 | Very low | 140 Ų | 140 | 134.9 Ų | 134.9 | 65% | 0.654 | 78% | 0.775 | S | S | * | * | trans | -94.1 | -177.3 | 166.4 | -64.6 | 164 | 61.8 | 0 | 0 | 109.1 | H92 | H92-E94 IonicContact CE1-OE2 3.24Š| ||
| 95 | Q | 34.8 | Very low | 36.4 | Very low | 166 Ų | 166 | 132.9 Ų | 132.9 | 78% | 0.776 | 77% | 0.768 | S | S | * | * | cis | -158.9 | 179.7 | 11.4 | -145.4 | 166.3 | 63.8 | 0 | 0 | 110.3 | ||||
| 96 | S | 33 | Very low | 36.5 | Very low | 106 Ų | 106 | 132 Ų | 132 | 74% | 0.741 | 77% | 0.774 | S | S | * | * | trans | -82.9 | -155.5 | -179.9 | -26.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 97 | P | 51.2 | Low | 36.4 | Very low | 126 Ų | 126 | 124.8 Ų | 124.8 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | cis | -115.8 | -145.1 | -6 | 29 | -3.2 | 0 | 0 | 0 | 110.9 | ||||
| 98 | A | 34.5 | Very low | 35 | Very low | 81 Ų | 81 | 126.8 Ų | 126.8 | 67% | 0.669 | 78% | 0.776 | S | S | * | * | cis | -161.9 | -173.9 | 7.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 99 | D | 33.8 | Very low | 34.9 | Very low | 151 Ų | 151 | 124.9 Ų | 124.9 | 81% | 0.807 | 77% | 0.772 | S | S | * | * | cis | -163.7 | -167.8 | -3.7 | -144.8 | -52.5 | 0 | 0 | 0 | 109.8 | ||||
| 100 | T | 32.6 | Very low | 35.1 | Very low | 114 Ų | 114 | 127.3 Ų | 127.3 | 70% | 0.699 | 78% | 0.778 | S | S | * | * | trans | 100.9 | 66.9 | 154.1 | -37.4 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 101 | S | 33.9 | Very low | 35.6 | Very low | 113 Ų | 113 | 127.4 Ų | 127.4 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | 68.2 | 152.1 | 125.8 | 87 | 0 | 0 | 0 | 0 | 121 | |||||
| 102 | A | 37 | Very low | 36.1 | Very low | 81 Ų | 81 | 128.2 Ų | 128.2 | 67% | 0.669 | 78% | 0.783 | S | S | * | * | cis | -155.3 | 149.4 | -0.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 103 | Q | 39 | Very low | 37 | Very low | 183 Ų | 183 | 128.9 Ų | 128.9 | 86% | 0.855 | 79% | 0.792 | S | S | * | * | trans | 43.8 | 143.4 | 140.1 | -65.2 | 178.3 | -9.1 | 0 | 0 | 121.4 | ||||
| 104 | T | 31.6 | Very low | 37.1 | Very low | 139 Ų | 139 | 130.9 Ų | 130.9 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | -156.4 | 173.6 | 57.3 | -51.7 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 105 | V | 38 | Very low | 37.7 | Very low | 127 Ų | 127 | 128.4 Ų | 128.4 | 77% | 0.77 | 80% | 0.796 | S | S | * | * | trans | -116.5 | 141.6 | -161.1 | 176.7 | 0 | 0 | 0 | 0 | 114 | ||||
| 106 | S | 33.2 | Very low | 38 | Very low | 122 Ų | 122 | 124.9 Ų | 124.9 | 85% | 0.853 | 80% | 0.796 | S | S | * | * | trans | 157.7 | 149.5 | 142 | -73.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 107 | G | 35.2 | Very low | 38.8 | Very low | 66 Ų | 66 | 126 Ų | 126 | 68% | 0.68 | 80% | 0.8 | S | S | * | * | cis | 145.3 | 141 | -4.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 108 | T | 35.8 | Very low | 38.4 | Very low | 148 Ų | 148 | 126.5 Ų | 126.5 | 91% | 0.908 | 80% | 0.801 | S | S | * | * | trans | 121.8 | 136 | 170.5 | -53.8 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 109 | A | 40.9 | Very low | 39 | Very low | 95 Ų | 95 | 130.1 Ų | 130.1 | 79% | 0.785 | 81% | 0.81 | S | S | * | * | trans | -145 | 150.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 110 | T | 34.5 | Very low | 39.1 | Very low | 141 Ų | 141 | 126.1 Ų | 126.1 | 87% | 0.865 | 80% | 0.804 | S | S | * | * | trans | -149.8 | 148.1 | 168.1 | -17.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 111 | Q | 44 | Very low | 39.6 | Very low | 184 Ų | 184 | 128.8 Ų | 128.8 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | trans | -107.3 | 154.3 | 174.9 | -61.1 | 168 | -23.3 | 0 | 0 | 110.1 | ||||
| 112 | T | 38.8 | Very low | 40 | Very low | 141 Ų | 141 | 129.3 Ų | 129.3 | 87% | 0.865 | 81% | 0.809 | S | S | * | * | trans | -159.9 | 138.9 | 144.1 | 36.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 113 | D | 49.6 | Very low | 40 | Very low | 164 Ų | 164 | 133.6 Ų | 133.6 | 88% | 0.877 | 82% | 0.815 | S | S | * | * | trans | -68.6 | 150.3 | 163 | -91.3 | -108 | 0 | 0 | 0 | 112 | ||||
| 114 | D | 38.1 | Very low | 40 | Very low | 161 Ų | 161 | 131.7 Ų | 131.7 | 86% | 0.861 | 82% | 0.816 | S | S | * | * | -165.7 | -177.3 | 117.2 | -155.2 | -98.5 | 0 | 0 | 0 | 109.5 | |||||
| 115 | A | 41.9 | Very low | 40.3 | Very low | 87 Ų | 87 | 132.5 Ų | 132.5 | 72% | 0.719 | 81% | 0.81 | S | S | * | * | trans | -127.5 | 145.2 | -157.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 116 | A | 41.2 | Very low | 40.6 | Very low | 93 Ų | 93 | 132.3 Ų | 132.3 | 77% | 0.769 | 81% | 0.812 | S | S | * | * | trans | -169.4 | 141.9 | 143 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 117 | P | 49.5 | Very low | 41 | Very low | 128 Ų | 128 | 131.3 Ų | 131.3 | 83% | 0.831 | 81% | 0.805 | S | S | * | * | trans | -85.6 | 156.1 | 169.5 | 35.3 | -33.7 | 0 | 0 | 0 | 111.8 | ||||
| 118 | T | 43.8 | Very low | 41.6 | Very low | 137 Ų | 137 | 136.7 Ų | 136.7 | 84% | 0.84 | 81% | 0.812 | S | S | * | * | trans | -139.5 | 138.4 | 165.4 | -67.3 | 0 | 0 | 0 | 0 | 110 | G120 | T118-G120 PolarHBondContact O-N 2.74Š| ||
| 119 | D | 45.6 | Very low | 41.9 | Very low | 158 Ų | 158 | 134.7 Ų | 134.7 | 85% | 0.845 | 80% | 0.796 | S | S | * | * | trans | -58.4 | 111.5 | -175.8 | -126.4 | -90.2 | 0 | 0 | 0 | 112 | ||||
| 120 | G | 37.9 | Very low | 42.5 | Very low | 66 Ų | 66 | 136.3 Ų | 136.3 | 68% | 0.68 | 80% | 0.796 | S | S | * | * | trans | -110.4 | 104.9 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | T118 | T118-G120 PolarHBondContact O-N 2.74Š| ||
| 121 | Q | 41.9 | Very low | 43.3 | Very low | 171 Ų | 171 | 138 Ų | 138 | 80% | 0.799 | 79% | 0.794 | S | S | * | * | trans | -54.9 | 131.9 | 178.1 | -61.7 | 179.6 | -80.5 | 0 | 0 | 110.3 | Q123 | Q121-Q123 PolarHBondContact O-N 2.76Š| ||
| 122 | P | 42.4 | Very low | 43.7 | Very low | 124 Ų | 124 | 132.8 Ų | 132.8 | 81% | 0.805 | 77% | 0.773 | S | S | * | * | trans | -65.5 | 102.1 | 167.4 | 27.2 | -32.2 | 0 | 0 | 0 | 108.3 | T124 | P122-T124 PolarHBondContact O-N 2.82Š| ||
| 123 | Q | 37.1 | Very low | 44.5 | Very low | 170 Ų | 170 | 135.5 Ų | 135.5 | 79% | 0.794 | 77% | 0.772 | S | S | * | * | trans | -51.6 | 131.6 | 167.5 | -71.2 | 179.3 | -30 | 0 | 0 | 108.4 | Q121 Q125 | Q121-Q123 PolarHBondContact O-N 2.76Å; Q123-Q125 PolarHBondContact O-N 3.46Å | ||
| 124 | T | 39.4 | Very low | 45.6 | Very low | 144 Ų | 144 | 130.3 Ų | 130.3 | 88% | 0.883 | 75% | 0.749 | S | S | * | * | trans | -70.1 | 78.5 | 178.2 | 29.3 | 0 | 0 | 0 | 0 | 110.6 | P122 | P122-T124 PolarHBondContact O-N 2.82Š| ||
| 125 | Q | 36.4 | Very low | 47.9 | Very low | 155 Ų | 155 | 128.1 Ų | 128.1 | 72% | 0.724 | 73% | 0.734 | S | S | * | * | trans | -55.3 | 126.3 | 168.1 | -64.9 | -178.4 | 3.1 | 0 | 0 | 108.5 | Q123 S127 | Q123-Q125 PolarHBondContact O-N 3.46Å; Q125-S127 VanDerWaalsContact C-N 3.28Å; Q125-S127 PolarHBondContact O-N 3.49Å | ||
| 126 | P | 45.6 | Very low | 50.3 | Low | 123 Ų | 123 | 128 Ų | 128 | 80% | 0.799 | 73% | 0.725 | S | S | * | * | trans | -69.3 | 93.6 | 164 | 29.3 | -30.9 | 0 | 0 | 0 | 107.2 | E128 | P126-E128 PolarHBondContact O-N 2.93Š| ||
| 127 | S | 41.1 | Very low | 52.8 | Low | 102 Ų | 102 | 125.8 Ų | 125.8 | 71% | 0.713 | 70% | 0.698 | S | S | * | * | trans | -60.9 | 104.9 | 178.3 | -54.8 | 0 | 0 | 0 | 0 | 109.7 | Q125 N129 | Q125-S127 VanDerWaalsContact C-N 3.28Å; Q125-S127 PolarHBondContact O-N 3.49Å; S127-N129 PolarHBondContact O-N 3.15Å | ||
| 128 | E | 47.7 | Very low | 55.1 | Low | 179 Ų | 179 | 121.1 Ų | 121.1 | 84% | 0.836 | 66% | 0.664 | S | S | * | * | trans | -74.3 | 74.1 | -175.7 | -153.6 | 172.8 | 136.1 | 0 | 0 | 110.3 | P126 T130 | P126-E128 PolarHBondContact O-N 2.93Å; E128-T130 VanDerWaalsContact C-N 3.34Å; E128-T130 PolarHBondContact O-N 3.4Å; E128-T130 PolarHBondContact O-OG1 3.31Å | ||
| 129 | N | 42.3 | Very low | 57.6 | Low | 106 Ų | 106 | 114.6 Ų | 114.6 | 57% | 0.567 | 62% | 0.624 | S | S | * | * | trans | -83.2 | 82.4 | -179.2 | -172.6 | -21 | 0 | 0 | 0 | 110 | S127 E131 N132 | S127-N129 PolarHBondContact O-N 3.15Å; N129-E131 PolarHBondContact O-N 3.4Å; N129-N132 WeakPolarHBondContact CB-ND2 3.17Å; N129-N132 PolarHBondContact ND2-ND2 3.41Å; N129-N132 VanDerWaalsContact ND2-ND2 3.15Å; N129-N132 PolarHBondContact O-N 2.88Å; N129-N132 PolarHBondContact O-ND2 3.05Å; N129-N132 PolarHBondContact OD1-ND2 3.49Å | ||
| 130 | T | 53.9 | Low | 60.1 | Low | 129 Ų | 129 | 109.1 Ų | 109.1 | 79% | 0.791 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.5 | -4.9 | -173.7 | -51.5 | 0 | 0 | 0 | 0 | 115.4 | E128 | E128-T130 VanDerWaalsContact C-N 3.34Å; E128-T130 PolarHBondContact O-N 3.4Å; E128-T130 PolarHBondContact O-OG1 3.31Å |
| 131 | E | 51.3 | Low | 63 | Low | 176 Ų | 176 | 106 Ų | 106 | 82% | 0.822 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.8 | 5.6 | 179.4 | -141.4 | 173.9 | 151.7 | 0 | 0 | 115.1 | N129 K133 | N129-E131 PolarHBondContact O-N 3.4Å; E131-K133 PolarHBondContact O-N 3.45Å; E131-K133 VanDerWaalsContact O-N 3.1Å |
| 132 | N | 51.2 | Low | 65.6 | Low | 75 Ų | 75 | 98.6 Ų | 98.6 | 40% | 0.401 | 53% | 0.528 | S | S | . | . | trans | -85.3 | 74.2 | 174.1 | -73.5 | -76.6 | 0 | 0 | 0 | 113.2 | N129 S134 Q135 | N129-N132 WeakPolarHBondContact CB-ND2 3.17Å; N129-N132 PolarHBondContact ND2-ND2 3.41Å; N129-N132 VanDerWaalsContact ND2-ND2 3.15Å; N129-N132 PolarHBondContact O-N 2.88Å; N129-N132 PolarHBondContact O-ND2 3.05Å; N129-N132 PolarHBondContact OD1-ND2 3.49Å; N132-S134 PolarHBondContact O-N 2.89Å; N132-S134 VanDerWaalsContact O-N 3.17Å; N132-Q135 PolarHBondContact OD1-NE2 2.93Å; N132-Q135 VanDerWaalsContact OD1-NE2 3.16Å | ||
| 133 | K | 56.9 | Low | 68.2 | Low | 197 Ų | 197 | 96 Ų | 96 | 86% | 0.857 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | 117.9 | 174.2 | -73.8 | -172.5 | 175.2 | -178.4 | 0 | 112.2 | E131 Q135 | E131-K133 PolarHBondContact O-N 3.45Å; E131-K133 VanDerWaalsContact O-N 3.1Å; K133-Q135 PolarHBondContact O-N 3.1Å |
| 134 | S | 71.5 | Confident | 71.1 | Confident | 55 Ų | 55 | 87.9 Ų | 87.9 | 39% | 0.385 | 47% | 0.47 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 43.6 | 55.4 | 163.3 | -157.2 | 0 | 0 | 0 | 0 | 115.9 | N132 E184 N185 | N132-S134 PolarHBondContact O-N 2.89Å; N132-S134 VanDerWaalsContact O-N 3.17Å; S134-E184 CarbonylContact C-O 3.5Å; S134-E184 PolarHBondContact OG-O 3.43Å; S134-N185 WeakPolarHBondContact CA-OD1 3.38Å |
| 135 | Q | 86.6 | Confident | 73.8 | Confident | 116 Ų | 116 | 81.4 Ų | 81.4 | 54% | 0.542 | 43% | 0.43 | S | S | . | . | trans | -74.5 | 129.7 | 165.7 | -64.1 | -152.5 | 25.4 | 0 | 0 | 110.1 | N132 K133 S186 | N132-Q135 PolarHBondContact OD1-NE2 2.93Å; N132-Q135 VanDerWaalsContact OD1-NE2 3.16Å; K133-Q135 PolarHBondContact O-N 3.1Å; Q135-S186 PolarHBondContact O-N 3.48Å | ||
| 136 | P | 92.3 | Very high | 76.7 | Confident | 84 Ų | 84 | 79.3 Ų | 79.3 | 55% | 0.545 | 42% | 0.419 | S | S | . | . | trans | -70.2 | 135.1 | -175.6 | 28.2 | -35 | 0 | 0 | 0 | 111.4 | L164 T182 F183 E184 | P136-L164 HydrophobicContact CB-CD1 3.79Å; P136-T182 HydrophobicContact CB-CG2 4.33Å; P136-F183 CarbonylContact C-O 3.59Å; P136-F183 WeakPolarHBondContact CA-O 3.29Å; P136-F183 VanDerWaalsContact CB-O 3.26Å; P136-F183 WeakPolarHBondContact CB-O 3.47Å; P136-E184 WeakPolarHBondContact CA-O 3.12Å | ||
| 137 | K | 95.3 | Very high | 79.1 | Confident | 46 Ų | 46 | 83.4 Ų | 83.4 | 20% | 0.2 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 125.5 | -172 | -177.1 | 159.8 | 170.1 | 173.6 | 0 | 111.5 | F183 A189 D190 | K137-F183 PolarHBondContact N-O 2.85Å; K137-F183 PolarHBondContact O-N 3.27Å; K137-A189 HydrophobicContact CB-CB 3.87Å; K137-A189 HydrophobicContact CD-CB 3.98Å; K137-A189 HydrophobicContact CG-CB 3.79Å; K137-D190 IonicContact NZ-OD1 3.5Å; K137-D190 PolarHBondContact NZ-OD1 3.34Å; K137-D190 IonicContact NZ-OD2 3.64Å; K137-D190 PolarHBondContact NZ-OD2 3.21Å |
| 138 | R | 95.9 | Very high | 81.7 | Confident | 31 Ų | 31 | 79.6 Ų | 79.6 | 12% | 0.117 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 125.6 | -179.4 | -165.2 | 167.6 | 172.9 | -102 | 4.7 | 110.2 | E167 F180 V181 T182 A211 T212 | R138-E167 IonicContact CZ-OE2 2.69Å; R138-E167 IonicContact NH2-OE2 2.84Å; R138-E167 PolarHBondContact NH2-OE2 3.47Å; R138-F180 HydrophobicContact CG-CB 4.19Å; R138-F180 VanDerWaalsContact CZ-CD1 3.47Å; R138-V181 CarbonylContact C-O 3.51Å; R138-V181 WeakPolarHBondContact CA-O 3.41Å; R138-T182 HydrophobicContact CB-CG2 4.42Å; R138-T182 WeakPolarHBondContact CG-OG1 3.48Å; R138-A211 HydrophobicContact CB-CB 4.2Å; R138-A211 HydrophobicContact CG-CB 3.93Å; R138-A211 WeakPolarHBondContact O-CB 3.44Å; R138-A211 PolarHBondContact O-N 2.71Å; R138-T212 PolarHBondContact NH1-O 2.82Å |
| 139 | L | 97.5 | Very high | 84.1 | Confident | 0 Ų | 0 | 75.8 Ų | 75.8 | 0% | 0 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 151.9 | 170.9 | -58.1 | 179.8 | 0 | 0 | 0 | 109.8 | F157 F180 V181 F183 A189 A192 R193 V208 N209 | L139-F157 HydrophobicContact CD1-CD1 4.44Å; L139-F157 HydrophobicContact CD1-CE1 4.1Å; L139-F180 WeakPolarHBondContact O-CA 3.37Å; L139-V181 PolarHBondContact N-O 3.39Å; L139-V181 PolarHBondContact O-N 3.29Å; L139-F183 HydrophobicContact CD1-CD2 4.2Å; L139-F183 HydrophobicContact CD1-CE2 3.8Å; L139-A189 HydrophobicContact CD1-CB 4.07Å; L139-A189 WeakPolarHBondContact CD1-O 3.48Å; L139-A189 HydrophobicContact CD2-CB 4.04Å; L139-A189 HydrophobicContact CG-CB 4.02Å; L139-A192 HydrophobicContact CD1-CB 4.35Å; L139-R193 HydrophobicContact CD1-CB 4.44Å; L139-R193 HydrophobicContact CD2-CB 4.43Å; L139-V208 HydrophobicContact CB-CG1 4.08Å; L139-V208 HydrophobicContact CD1-CG1 3.76Å; L139-V208 HydrophobicContact CG-CG1 4.36Å; L139-N209 CarbonylContact C-O 3.6Å; L139-N209 WeakPolarHBondContact CA-O 3.38Å |
| 140 | H | 98.1 | Very high | 86.6 | Confident | 42 Ų | 42 | 73.7 Ų | 73.7 | 19% | 0.194 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 132.8 | 167.3 | 170.2 | -100.9 | 0 | 0 | 0 | 108 | S142 F178 F180 V208 N209 A211 | H140-S142 PolarHBondContact CE1-OG 3.22Å; H140-F178 AromaticContact CD2-CD2 3.7Å; H140-F178 AromaticContact NE2-CD2 3.29Å; H140-F178 VanDerWaalsContact NE2-CD2 3.29Å; H140-F178 WeakPolarHBondContact NE2-CD2 3.31Å; H140-F178 AromaticContact NE2-CE2 3.94Å; H140-F178 AromaticContact NE2-CG 3.73Å; H140-F180 HydrophobicContact CB-CD1 4.01Å; H140-F180 HydrophobicContact CB-CE1 3.96Å; H140-F180 AromaticContact CD2-CE1 3.58Å; H140-F180 AromaticContact CD2-CZ 3.94Å; H140-V208 WeakPolarHBondContact O-CA 3.49Å; H140-N209 PolarHBondContact N-O 3.25Å; H140-N209 PolarHBondContact O-N 2.7Å; H140-A211 HydrophobicContact CB-CB 4Å |
| 141 | V | 97.9 | Very high | 88.7 | Confident | 0 Ų | 0 | 71.2 Ų | 71.2 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 102.1 | -174.5 | -169.5 | 0 | 0 | 0 | 0 | 108.5 | I144 L153 F157 F178 G179 V181 E207 V208 | V141-I144 HydrophobicContact CG1-CG2 3.63Å; V141-L153 HydrophobicContact CG1-CD2 4.43Å; V141-F157 HydrophobicContact CB-CZ 4.28Å; V141-F157 HydrophobicContact CG1-CE2 3.92Å; V141-F157 HydrophobicContact CG1-CZ 3.8Å; V141-F157 HydrophobicContact CG2-CE1 4.15Å; V141-F157 HydrophobicContact CG2-CE2 3.82Å; V141-F157 HydrophobicContact CG2-CZ 3.4Å; V141-F178 CarbonylContact O-C 3.55Å; V141-F178 WeakPolarHBondContact O-CA 3.42Å; V141-F178 VanDerWaalsContact O-CB 3.24Å; V141-F178 WeakPolarHBondContact O-CB 3.39Å; V141-G179 PolarHBondContact N-O 3.35Å; V141-G179 PolarHBondContact O-N 2.87Å; V141-V181 HydrophobicContact CG2-CG2 4.06Å; V141-E207 CarbonylContact C-O 3.46Å; V141-E207 VanDerWaalsContact CA-O 3.31Å; V141-E207 WeakPolarHBondContact CA-O 3.2Å; V141-V208 HydrophobicContact CG1-CG2 4.39Å |
| 142 | S | 97.8 | Very high | 90.8 | Very high | 16 Ų | 16 | 65.6 Ų | 65.6 | 11% | 0.112 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 161.7 | -178.4 | 28.1 | 0 | 0 | 0 | 0 | 113.9 | H140 I144 I206 E207 | H140-S142 PolarHBondContact CE1-OG 3.22Å; S142-I144 VanDerWaalsContact C-N 3.27Å; S142-I144 PolarHBondContact O-N 2.82Å; S142-I206 WeakPolarHBondContact O-CA 3.29Å; S142-E207 PolarHBondContact N-O 2.74Å; S142-E207 PolarHBondContact O-N 2.96Å; S142-E207 WeakPolarHBondContact OG-CB 3.41Å; S142-E207 PolarHBondContact OG-OE2 2.66Å |
| 143 | N | 97.6 | Very high | 93 | Very high | 70 Ų | 70 | 62 Ų | 62 | 37% | 0.374 | 30% | 0.298 | S | S | . | . | S | Bend | trans | 59.9 | 28.3 | -179.9 | -160.8 | 28.5 | 0 | 0 | 0 | 115 | G177 R204 K205 | N143-G177 WeakPolarHBondContact CA-O 3.46Å; N143-G177 PolarHBondContact N-O 2.93Å; N143-R204 WeakPolarHBondContact O-CB 3.48Å; N143-R204 WeakPolarHBondContact O-CD 3.48Å; N143-K205 WeakPolarHBondContact CB-O 3.31Å; N143-K205 PolarHBondContact ND2-O 3.17Å |
| 144 | I | 97.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 27% | 0.274 | C | S | . | . | trans | -72.2 | 155.8 | 172.9 | 62.5 | 175.8 | 0 | 0 | 0 | 111 | V141 S142 F148 L153 G177 R204 I206 | V141-I144 HydrophobicContact CG1-CG2 3.63Å; S142-I144 VanDerWaalsContact C-N 3.27Å; S142-I144 PolarHBondContact O-N 2.82Å; I144-F148 HydrophobicContact CB-CD1 4.4Å; I144-F148 HydrophobicContact CD1-CB 4.11Å; I144-L153 HydrophobicContact CD1-CD1 4.34Å; I144-L153 HydrophobicContact CD1-CD2 4.35Å; I144-L153 HydrophobicContact CG2-CD2 4.47Å; I144-G177 WeakPolarHBondContact CG1-O 3.42Å; I144-G177 PolarHBondContact N-O 3.06Å; I144-R204 PolarHBondContact O-NH1 2.98Å; I144-I206 HydrophobicContact CG2-CG2 4.01Å | ||
| 145 | P | 96.3 | Very high | 96.1 | Very high | 8 Ų | 8 | 62 Ų | 62 | 5% | 0.052 | 29% | 0.291 | C | S | . | . | trans | -61.3 | 142.4 | 173.8 | -23.4 | 35.3 | 0 | 0 | 0 | 112.1 | R147 F148 E202 | P145-R147 PolarHBondContact O-N 3.14Å; P145-F148 HydrophobicContact CB-CD2 3.85Å; P145-F148 HydrophobicContact CB-CE2 4.21Å; P145-F148 HydrophobicContact CG-CD2 3.84Å; P145-F148 HydrophobicContact CG-CE2 3.77Å; P145-F148 WeakPolarHBondContact O-CB 3.43Å; P145-F148 PolarHBondContact O-N 2.93Å; P145-E202 HydrophobicContact CB-CB 4.41Å; P145-E202 WeakPolarHBondContact CB-OE2 3.48Å; P145-E202 HydrophobicContact CG-CB 3.72Å; P145-E202 HydrophobicContact CG-CG 3.93Å; P145-E202 WeakPolarHBondContact CG-OE2 3.25Å | ||
| 146 | F | 96.8 | Very high | 96.5 | Very high | 111 Ų | 111 | 57.7 Ų | 57.7 | 49% | 0.487 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -12.6 | -176.4 | -55.3 | -50.2 | 0 | 0 | 0 | 114 | R149 S175 | F146-R149 PolarHBondContact O-NH1 3.27Å; F146-S175 VanDerWaalsContact CD1-O 3.25Å; F146-S175 WeakPolarHBondContact CD1-O 3.47Å; F146-S175 VanDerWaalsContact O-CB 3.31Å; F146-S175 WeakPolarHBondContact O-CB 3.06Å |
| 147 | R | 96.1 | Very high | 96.7 | Very high | 209 Ų | 209 | 53.7 Ų | 53.7 | 79% | 0.789 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -23.4 | 175.3 | -66.4 | -72.2 | 165.6 | 164.5 | -4.8 | 113.2 | P145 R149 | P145-R147 PolarHBondContact O-N 3.14Å; R147-R149 PolarHBondContact O-NH1 3.34Å; R147-R149 VanDerWaalsContact O-NH1 3.11Å |
| 148 | F | 96.5 | Very high | 96.8 | Very high | 21 Ų | 21 | 53.2 Ų | 53.2 | 9% | 0.092 | 25% | 0.253 | C | S | . | . | trans | -57.3 | 142.2 | -177.9 | -90.5 | -134.4 | 0 | 0 | 0 | 113.3 | I144 P145 D152 L153 M156 V201 E202 | I144-F148 HydrophobicContact CB-CD1 4.4Å; I144-F148 HydrophobicContact CD1-CB 4.11Å; P145-F148 HydrophobicContact CB-CD2 3.85Å; P145-F148 HydrophobicContact CB-CE2 4.21Å; P145-F148 HydrophobicContact CG-CD2 3.84Å; P145-F148 HydrophobicContact CG-CE2 3.77Å; P145-F148 WeakPolarHBondContact O-CB 3.43Å; P145-F148 PolarHBondContact O-N 2.93Å; F148-D152 WeakPolarHBondContact CA-OD2 3.42Å; F148-D152 HydrophobicContact CB-CB 4.41Å; F148-D152 HydrophobicContact CD1-CB 3.69Å; F148-D152 HydrophobicContact CD2-CB 4.3Å; F148-D152 HydrophobicContact CE1-CB 3.87Å; F148-D152 HydrophobicContact CE2-CB 4.45Å; F148-D152 HydrophobicContact CG-CB 3.9Å; F148-D152 HydrophobicContact CZ-CB 4.23Å; F148-L153 HydrophobicContact CD1-CD2 3.99Å; F148-L153 HydrophobicContact CD1-CG 4.37Å; F148-L153 HydrophobicContact CE1-CD2 4.5Å; F148-M156 HydrophobicContact CE1-CE 4.29Å; F148-V201 HydrophobicContact CE1-CG1 4.16Å; F148-V201 HydrophobicContact CE2-CG1 4.11Å; F148-V201 HydrophobicContact CZ-CG1 3.42Å; F148-V201 VanDerWaalsContact CZ-CG1 3.42Å; F148-E202 HydrophobicContact CE2-CG 4.38Å | ||
| 149 | R | 96.8 | Very high | 96.8 | Very high | 100 Ų | 100 | 58.4 Ų | 58.4 | 38% | 0.377 | 28% | 0.279 | S | S | . | . | trans | -132.1 | -178.8 | 178.8 | -60.3 | -59.2 | 177.8 | -100 | 1.6 | 110.3 | F146 R147 P151 D152 L153 | F146-R149 PolarHBondContact O-NH1 3.27Å; R147-R149 PolarHBondContact O-NH1 3.34Å; R147-R149 VanDerWaalsContact O-NH1 3.11Å; R149-P151 HydrophobicContact CB-CG 4.29Å; R149-D152 PolarHBondContact N-OD2 3.49Å; R149-D152 PolarHBondContact O-N 3.26Å; R149-L153 PolarHBondContact O-N 3.17Å | ||
| 150 | D | 96.2 | Very high | 96.7 | Very high | 61 Ų | 61 | 60.2 Ų | 60.2 | 33% | 0.326 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -45.7 | -51.6 | 174 | 170.1 | -78.5 | 0 | 0 | 0 | 113.5 | D152 L153 R154 V166 | D150-D152 PolarHBondContact O-N 3.05Å; D150-L153 PolarHBondContact O-N 3.26Å; D150-R154 WeakPolarHBondContact O-CG 3.41Å; D150-R154 PolarHBondContact O-N 3.42Å; D150-R154 VanDerWaalsContact OD1-CD 3.29Å; D150-R154 WeakPolarHBondContact OD1-CD 3.47Å; D150-R154 IonicContact OD1-CZ 2.71Å; D150-R154 IonicContact OD1-NE 3.02Å; D150-R154 PolarHBondContact OD1-NE 2.66Å; D150-R154 IonicContact OD2-CZ 2.63Å; D150-R154 VanDerWaalsContact OD2-CZ 3.25Å; D150-R154 IonicContact OD2-NE 2.7Å; D150-R154 PolarHBondContact OD2-NE 3.1Å; D150-R154 IonicContact OD2-NH2 2.91Å; D150-R154 PolarHBondContact OD2-NH2 2.79Å; D150-V166 WeakPolarHBondContact OD2-CB 3.2Å |
| 151 | P | 97.2 | Very high | 96.6 | Very high | 77 Ų | 77 | 59 Ų | 59 | 50% | 0.5 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.9 | -39.2 | -178.6 | 21.5 | -34.6 | 0 | 0 | 0 | 113.8 | R149 L153 R154 Q155 | R149-P151 HydrophobicContact CB-CG 4.29Å; P151-L153 PolarHBondContact O-N 2.95Å; P151-R154 PolarHBondContact O-N 2.7Å; P151-Q155 WeakPolarHBondContact O-CB 3.45Å; P151-Q155 PolarHBondContact O-N 3.14Å |
| 152 | D | 96.4 | Very high | 96.5 | Very high | 59 Ų | 59 | 64.7 Ų | 64.7 | 32% | 0.316 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -65.8 | -42.1 | -178.5 | -46.7 | -68 | 0 | 0 | 0 | 111.1 | F148 R149 D150 Q155 M156 | F148-D152 WeakPolarHBondContact CA-OD2 3.42Å; F148-D152 HydrophobicContact CB-CB 4.41Å; F148-D152 HydrophobicContact CD1-CB 3.69Å; F148-D152 HydrophobicContact CD2-CB 4.3Å; F148-D152 HydrophobicContact CE1-CB 3.87Å; F148-D152 HydrophobicContact CE2-CB 4.45Å; F148-D152 HydrophobicContact CG-CB 3.9Å; F148-D152 HydrophobicContact CZ-CB 4.23Å; R149-D152 PolarHBondContact N-OD2 3.49Å; R149-D152 PolarHBondContact O-N 3.26Å; D150-D152 PolarHBondContact O-N 3.05Å; D152-Q155 PolarHBondContact O-N 2.89Å; D152-M156 WeakPolarHBondContact O-CB 3.43Å; D152-M156 PolarHBondContact O-N 2.82Å |
| 153 | L | 96.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -67.7 | -40.1 | 172.9 | -68.8 | -178.9 | 0 | 0 | 0 | 111.5 | V141 I144 F148 R149 D150 P151 Q155 M156 F157 V166 I168 V181 | V141-L153 HydrophobicContact CG1-CD2 4.43Å; I144-L153 HydrophobicContact CD1-CD1 4.34Å; I144-L153 HydrophobicContact CD1-CD2 4.35Å; I144-L153 HydrophobicContact CG2-CD2 4.47Å; F148-L153 HydrophobicContact CD1-CD2 3.99Å; F148-L153 HydrophobicContact CD1-CG 4.37Å; F148-L153 HydrophobicContact CE1-CD2 4.5Å; R149-L153 PolarHBondContact O-N 3.17Å; D150-L153 PolarHBondContact O-N 3.26Å; P151-L153 PolarHBondContact O-N 2.95Å; L153-Q155 VanDerWaalsContact C-N 3.35Å; L153-Q155 PolarHBondContact O-N 2.89Å; L153-M156 HydrophobicContact CD2-CE 4.16Å; L153-M156 PolarHBondContact O-N 2.86Å; L153-F157 HydrophobicContact CD2-CD2 4.26Å; L153-F157 HydrophobicContact CD2-CE2 3.97Å; L153-F157 WeakPolarHBondContact O-CB 3.26Å; L153-F157 WeakPolarHBondContact O-CD2 3.35Å; L153-F157 PolarHBondContact O-N 3.29Å; L153-V166 HydrophobicContact CB-CG1 3.96Å; L153-V166 HydrophobicContact CD1-CG1 3.65Å; L153-V166 HydrophobicContact CG-CG1 4.44Å; L153-I168 HydrophobicContact CD1-CD1 3.72Å; L153-I168 HydrophobicContact CD1-CG1 3.66Å; L153-I168 HydrophobicContact CG-CD1 4.37Å; L153-V181 HydrophobicContact CB-CG2 4.34Å; L153-V181 HydrophobicContact CD1-CG2 4.31Å |
| 154 | R | 96.7 | Very high | 96.4 | Very high | 90 Ų | 90 | 65.7 Ų | 65.7 | 34% | 0.34 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62.7 | -39.4 | 175.1 | -75 | -174.2 | -166.9 | -85.2 | -12.7 | 112.5 | D150 P151 G158 I163 V166 | D150-R154 WeakPolarHBondContact O-CG 3.41Å; D150-R154 PolarHBondContact O-N 3.42Å; D150-R154 VanDerWaalsContact OD1-CD 3.29Å; D150-R154 WeakPolarHBondContact OD1-CD 3.47Å; D150-R154 IonicContact OD1-CZ 2.71Å; D150-R154 IonicContact OD1-NE 3.02Å; D150-R154 PolarHBondContact OD1-NE 2.66Å; D150-R154 IonicContact OD2-CZ 2.63Å; D150-R154 VanDerWaalsContact OD2-CZ 3.25Å; D150-R154 IonicContact OD2-NE 2.7Å; D150-R154 PolarHBondContact OD2-NE 3.1Å; D150-R154 IonicContact OD2-NH2 2.91Å; D150-R154 PolarHBondContact OD2-NH2 2.79Å; P151-R154 PolarHBondContact O-N 2.7Å; R154-G158 WeakPolarHBondContact O-CA 3.41Å; R154-G158 PolarHBondContact O-N 3.13Å; R154-I163 HydrophobicContact CG-CD1 4.38Å; R154-I163 PolarHBondContact NH1-O 2.9Å; R154-V166 HydrophobicContact CG-CG2 4.01Å |
| 155 | Q | 96.4 | Very high | 96.2 | Very high | 160 Ų | 160 | 67.9 Ų | 67.9 | 75% | 0.748 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -67.1 | -44.9 | 177 | -174.4 | 171.9 | -4.3 | 0 | 0 | 111.3 | P151 D152 L153 | P151-Q155 WeakPolarHBondContact O-CB 3.45Å; P151-Q155 PolarHBondContact O-N 3.14Å; D152-Q155 PolarHBondContact O-N 2.89Å; L153-Q155 VanDerWaalsContact C-N 3.35Å; L153-Q155 PolarHBondContact O-N 2.89Å |
| 156 | M | 95.2 | Very high | 96.3 | Very high | 27 Ų | 27 | 68.3 Ų | 68.3 | 13% | 0.133 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -72.2 | -38.7 | -178.1 | -172 | 169.4 | 69.1 | 0 | 0 | 113.6 | F148 D152 L153 Q159 L196 V201 I206 | F148-M156 HydrophobicContact CE1-CE 4.29Å; D152-M156 WeakPolarHBondContact O-CB 3.43Å; D152-M156 PolarHBondContact O-N 2.82Å; L153-M156 HydrophobicContact CD2-CE 4.16Å; L153-M156 PolarHBondContact O-N 2.86Å; M156-Q159 PolarHBondContact O-NE2 2.93Å; M156-L196 HydrophobicContact CG-CD1 3.96Å; M156-L196 HydrophobicContact CG-CD2 3.8Å; M156-L196 HydrophobicContact SD-CD2 4.24Å; M156-V201 HydrophobicContact SD-CG1 4.47Å; M156-V201 HydrophobicContact SD-CG2 3.87Å; M156-I206 HydrophobicContact CE-CD1 3.56Å; M156-I206 HydrophobicContact SD-CD1 3.98Å |
| 157 | F | 96.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -93.3 | -27.4 | -177.9 | -77.3 | -93.7 | 0 | 0 | 0 | 113.8 | L139 V141 L153 Q159 F160 I163 V181 F183 A192 L196 V208 | L139-F157 HydrophobicContact CD1-CD1 4.44Å; L139-F157 HydrophobicContact CD1-CE1 4.1Å; V141-F157 HydrophobicContact CB-CZ 4.28Å; V141-F157 HydrophobicContact CG1-CE2 3.92Å; V141-F157 HydrophobicContact CG1-CZ 3.8Å; V141-F157 HydrophobicContact CG2-CE1 4.15Å; V141-F157 HydrophobicContact CG2-CE2 3.82Å; V141-F157 HydrophobicContact CG2-CZ 3.4Å; L153-F157 HydrophobicContact CD2-CD2 4.26Å; L153-F157 HydrophobicContact CD2-CE2 3.97Å; L153-F157 WeakPolarHBondContact O-CB 3.26Å; L153-F157 WeakPolarHBondContact O-CD2 3.35Å; L153-F157 PolarHBondContact O-N 3.29Å; F157-Q159 VanDerWaalsContact C-N 3.26Å; F157-Q159 PolarHBondContact O-N 3.37Å; F157-F160 WeakPolarHBondContact O-CD2 3.34Å; F157-F160 PolarHBondContact O-N 2.83Å; F157-I163 HydrophobicContact CB-CD1 3.68Å; F157-V181 HydrophobicContact CB-CG1 4.18Å; F157-V181 HydrophobicContact CD1-CG1 4.47Å; F157-V181 HydrophobicContact CD2-CG2 4.08Å; F157-V181 HydrophobicContact CE2-CG2 4.3Å; F157-V181 HydrophobicContact CG-CG1 4.28Å; F157-V181 HydrophobicContact CG-CG2 4.26Å; F157-F183 HydrophobicContact CB-CE2 4.4Å; F157-F183 HydrophobicContact CB-CZ 3.88Å; F157-F183 AromaticContact CD1-CE2 3.9Å; F157-F183 HydrophobicContact CD1-CE2 3.9Å; F157-F183 AromaticContact CD1-CZ 3.94Å; F157-F183 HydrophobicContact CD1-CZ 3.94Å; F157-F183 HydrophobicContact CG-CZ 4.42Å; F157-A192 HydrophobicContact CD1-CB 3.98Å; F157-A192 HydrophobicContact CE1-CB 4.42Å; F157-L196 HydrophobicContact CD1-CD1 3.55Å; F157-L196 HydrophobicContact CD2-CD1 3.95Å; F157-L196 HydrophobicContact CE1-CD1 3.46Å; F157-L196 VanDerWaalsContact CE1-CD1 3.46Å; F157-L196 HydrophobicContact CE2-CD1 3.87Å; F157-L196 HydrophobicContact CG-CD1 3.78Å; F157-L196 HydrophobicContact CZ-CD1 3.61Å; F157-V208 HydrophobicContact CE1-CG1 4.06Å; F157-V208 HydrophobicContact CE1-CG2 4.2Å; F157-V208 HydrophobicContact CZ-CG1 4.33Å; F157-V208 HydrophobicContact CZ-CG2 3.84Å |
| 158 | G | 96.2 | Very high | 96.3 | Very high | 35 Ų | 35 | 56.3 Ų | 56.3 | 36% | 0.361 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -67.9 | -22.3 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | R154 F160 G161 | R154-G158 WeakPolarHBondContact O-CA 3.41Å; R154-G158 PolarHBondContact O-N 3.13Å; G158-F160 PolarHBondContact O-N 3.07Å; G158-G161 PolarHBondContact O-N 2.84Å |
| 159 | Q | 96.5 | Very high | 96.3 | Very high | 140 Ų | 140 | 57.5 Ų | 57.5 | 65% | 0.654 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -20.2 | 171.2 | 65.8 | -176.4 | -35.2 | 0 | 0 | 113.7 | M156 F157 | M156-Q159 PolarHBondContact O-NE2 2.93Å; F157-Q159 VanDerWaalsContact C-N 3.26Å; F157-Q159 PolarHBondContact O-N 3.37Å |
| 160 | F | 96.3 | Very high | 96.2 | Very high | 38 Ų | 38 | 57.7 Ų | 57.7 | 17% | 0.167 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | -22 | -179.4 | -62.1 | -74.9 | 0 | 0 | 0 | 113.7 | F157 G158 F183 R191 A192 K195 L196 | F157-F160 WeakPolarHBondContact O-CD2 3.34Å; F157-F160 PolarHBondContact O-N 2.83Å; G158-F160 PolarHBondContact O-N 3.07Å; F160-F183 HydrophobicContact CB-CE1 4.34Å; F160-F183 HydrophobicContact CB-CZ 4.49Å; F160-R191 PolarHBondContact O-NH2 3.02Å; F160-A192 HydrophobicContact CB-CB 3.7Å; F160-A192 HydrophobicContact CD1-CB 4.5Å; F160-A192 HydrophobicContact CD2-CB 3.7Å; F160-A192 HydrophobicContact CG-CB 3.71Å; F160-K195 HydrophobicContact CE1-CB 3.71Å; F160-K195 HydrophobicContact CE1-CG 4.01Å; F160-K195 HydrophobicContact CZ-CB 3.73Å; F160-L196 HydrophobicContact CD2-CD1 4.19Å; F160-L196 HydrophobicContact CE2-CD1 3.68Å; F160-L196 HydrophobicContact CE2-CD2 4.15Å; F160-L196 HydrophobicContact CE2-CG 3.71Å; F160-L196 HydrophobicContact CZ-CG 4.21Å |
| 161 | G | 95.4 | Very high | 96.2 | Very high | 16 Ų | 16 | 59.4 Ų | 59.4 | 17% | 0.165 | 30% | 0.303 | C | S | . | . | S | Bend | trans | 164.4 | 173.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | G158 I163 D188 | G158-G161 PolarHBondContact O-N 2.84Å; G161-I163 PolarHBondContact O-N 3.48Å; G161-D188 WeakPolarHBondContact CA-OD2 3.31Å |
| 162 | K | 96.5 | Very high | 96.1 | Very high | 121 Ų | 121 | 64.7 Ų | 64.7 | 53% | 0.526 | 32% | 0.32 | S | S | . | . | trans | -74 | 126 | -173.9 | 176 | 151.5 | 155.1 | -103.3 | 0 | 112.2 | F183 E184 | K162-F183 WeakPolarHBondContact O-CA 3.21Å; K162-E184 HydrophobicContact CB-CB 4.35Å; K162-E184 VanDerWaalsContact CD-OE2 3.26Å; K162-E184 WeakPolarHBondContact CD-OE2 3.5Å; K162-E184 WeakPolarHBondContact CE-OE2 3.4Å; K162-E184 HydrophobicContact CG-CB 4.39Å; K162-E184 WeakPolarHBondContact CG-OE2 3.26Å; K162-E184 IonicContact NZ-OE1 2.82Å; K162-E184 PolarHBondContact NZ-OE1 3.49Å; K162-E184 IonicContact NZ-OE2 3.22Å; K162-E184 PolarHBondContact NZ-OE2 2.8Å; K162-E184 PolarHBondContact O-N 2.75Å | ||
| 163 | I | 96.5 | Very high | 96 | Very high | 20 Ų | 20 | 73.7 Ų | 73.7 | 10% | 0.103 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 124.3 | -179.9 | -61.1 | 167.5 | 0 | 0 | 0 | 110.1 | R154 F157 G161 V166 V181 F183 | R154-I163 HydrophobicContact CG-CD1 4.38Å; R154-I163 PolarHBondContact NH1-O 2.9Å; F157-I163 HydrophobicContact CB-CD1 3.68Å; G161-I163 PolarHBondContact O-N 3.48Å; I163-V166 HydrophobicContact CG2-CG2 3.51Å; I163-V181 HydrophobicContact CD1-CG1 3.97Å; I163-V181 HydrophobicContact CG1-CG1 3.96Å; I163-V181 HydrophobicContact CG2-CG1 3.9Å; I163-F183 HydrophobicContact CG1-CD1 4.33Å; I163-F183 HydrophobicContact CG1-CE1 4.11Å; I163-F183 HydrophobicContact CG1-CZ 4.36Å |
| 164 | L | 95.3 | Very high | 95.9 | Very high | 86 Ų | 86 | 75 Ų | 75 | 45% | 0.45 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | -51.9 | 175.7 | -59.9 | 178.9 | 0 | 0 | 0 | 111.8 | P136 T182 E184 | P136-L164 HydrophobicContact CB-CD1 3.79Å; L164-T182 PolarHBondContact N-O 3.3Å; L164-E184 HydrophobicContact CD1-CB 4.27Å; L164-E184 HydrophobicContact CD2-CB 3.96Å; L164-E184 HydrophobicContact CD2-CG 4.31Å; L164-E184 HydrophobicContact CG-CB 3.98Å |
| 165 | D | 94.8 | Very high | 95.9 | Very high | 47 Ų | 47 | 71.4 Ų | 71.4 | 25% | 0.251 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 141 | -167.6 | 179 | 35.5 | 0 | 0 | 0 | 110.4 | T182 R214 | D165-T182 PolarHBondContact N-O 2.84Å; D165-T182 PolarHBondContact O-N 3.41Å; D165-R214 IonicContact OD1-NH1 3.66Å; D165-R214 IonicContact OD2-CZ 2.79Å; D165-R214 IonicContact OD2-NH1 3.73Å; D165-R214 PolarHBondContact OD2-NH1 3.29Å |
| 166 | V | 96.5 | Very high | 95.9 | Very high | 17 Ų | 17 | 69.9 Ų | 69.9 | 10% | 0.103 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 127.9 | 175.2 | -176.6 | 0 | 0 | 0 | 0 | 108.7 | D150 L153 R154 I163 F180 V181 | D150-V166 WeakPolarHBondContact OD2-CB 3.2Å; L153-V166 HydrophobicContact CB-CG1 3.96Å; L153-V166 HydrophobicContact CD1-CG1 3.65Å; L153-V166 HydrophobicContact CG-CG1 4.44Å; R154-V166 HydrophobicContact CG-CG2 4.01Å; I163-V166 HydrophobicContact CG2-CG2 3.51Å; V166-F180 WeakPolarHBondContact CA-O 3.32Å; V166-V181 HydrophobicContact CG1-CG2 4.4Å |
| 167 | E | 96.3 | Very high | 96 | Very high | 47 Ų | 47 | 68.9 Ų | 68.9 | 22% | 0.22 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 111.4 | -174.4 | 174.2 | -178.6 | -146.5 | 0 | 0 | 109.2 | R138 I169 G179 F180 R214 | R138-E167 IonicContact CZ-OE2 2.69Å; R138-E167 IonicContact NH2-OE2 2.84Å; R138-E167 PolarHBondContact NH2-OE2 3.47Å; E167-I169 HydrophobicContact CG-CD1 3.92Å; E167-G179 CarbonylContact O-C 3.37Å; E167-G179 WeakPolarHBondContact O-CA 3.38Å; E167-F180 HydrophobicContact CB-CB 4.45Å; E167-F180 HydrophobicContact CG-CD2 4.39Å; E167-F180 PolarHBondContact N-O 3.36Å; E167-F180 PolarHBondContact O-N 3.49Å; E167-R214 VanDerWaalsContact CD-CZ 3.48Å; E167-R214 IonicContact OE1-CZ 3.77Å; E167-R214 IonicContact OE1-NE 2.7Å; E167-R214 IonicContact OE1-NH2 2.85Å; E167-R214 PolarHBondContact OE1-NH2 3.06Å; E167-R214 IonicContact OE2-CZ 3.25Å; E167-R214 IonicContact OE2-NE 2.66Å; E167-R214 PolarHBondContact OE2-NE 3.02Å; E167-R214 IonicContact OE2-NH2 3.89Å; E167-R214 PolarHBondContact OE2-NH2 2.81Å |
| 168 | I | 96.9 | Very high | 96 | Very high | 21 Ų | 21 | 70.6 Ų | 70.6 | 11% | 0.108 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 133.1 | 173.2 | -70.1 | 163.7 | 0 | 0 | 0 | 108.6 | L153 F170 | L153-I168 HydrophobicContact CD1-CD1 3.72Å; L153-I168 HydrophobicContact CD1-CG1 3.66Å; L153-I168 HydrophobicContact CG-CD1 4.37Å; I168-F170 HydrophobicContact CB-CE2 3.83Å; I168-F170 HydrophobicContact CB-CZ 4.25Å; I168-F170 HydrophobicContact CG2-CD2 4.24Å; I168-F170 HydrophobicContact CG2-CE1 4.43Å; I168-F170 HydrophobicContact CG2-CE2 3.63Å; I168-F170 HydrophobicContact CG2-CZ 3.73Å; I168-F170 WeakPolarHBondContact O-CD2 3.42Å; I168-F170 WeakPolarHBondContact O-CE2 3.4Å |
| 169 | I | 96.3 | Very high | 96 | Very high | 45 Ų | 45 | 69 Ų | 69 | 23% | 0.231 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 118.1 | -177.9 | -58.1 | -53.3 | 0 | 0 | 0 | 109.3 | E167 K176 F178 F180 | E167-I169 HydrophobicContact CG-CD1 3.92Å; I169-K176 HydrophobicContact CG2-CB 4.43Å; I169-K176 HydrophobicContact CG2-CD 4.35Å; I169-K176 VanDerWaalsContact O-CB 3.26Å; I169-K176 WeakPolarHBondContact O-CB 3.3Å; I169-K176 PolarHBondContact O-N 2.63Å; I169-F178 HydrophobicContact CB-CD2 4.38Å; I169-F178 HydrophobicContact CB-CE1 4.2Å; I169-F178 HydrophobicContact CB-CE2 3.81Å; I169-F178 HydrophobicContact CB-CZ 3.7Å; I169-F178 HydrophobicContact CG1-CD2 4.11Å; I169-F178 HydrophobicContact CG1-CE2 3.42Å; I169-F178 VanDerWaalsContact CG1-CE2 3.42Å; I169-F178 HydrophobicContact CG1-CZ 3.75Å; I169-F178 HydrophobicContact CG2-CE1 4.31Å; I169-F178 HydrophobicContact CG2-CE2 4.39Å; I169-F178 HydrophobicContact CG2-CZ 3.83Å; I169-F178 PolarHBondContact N-O 3.22Å; I169-F178 VanDerWaalsContact N-O 3.17Å; I169-F180 HydrophobicContact CD1-CD2 4.37Å; I169-F180 HydrophobicContact CD1-CE2 4.05Å; I169-F180 HydrophobicContact CG1-CD2 4.3Å; I169-F180 HydrophobicContact CG1-CE2 3.83Å |
| 170 | F | 96.1 | Very high | 96.1 | Very high | 105 Ų | 105 | 63.8 Ų | 63.8 | 46% | 0.461 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 151.1 | 173.6 | -64.4 | -92.7 | 0 | 0 | 0 | 110.3 | I168 | I168-F170 HydrophobicContact CB-CE2 3.83Å; I168-F170 HydrophobicContact CB-CZ 4.25Å; I168-F170 HydrophobicContact CG2-CD2 4.24Å; I168-F170 HydrophobicContact CG2-CE1 4.43Å; I168-F170 HydrophobicContact CG2-CE2 3.63Å; I168-F170 HydrophobicContact CG2-CZ 3.73Å; I168-F170 WeakPolarHBondContact O-CD2 3.42Å; I168-F170 WeakPolarHBondContact O-CE2 3.4Å |
| 171 | N | 96 | Very high | 96.1 | Very high | 97 Ų | 97 | 62 Ų | 62 | 52% | 0.519 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 175.1 | 163.2 | -167.9 | 17.5 | 0 | 0 | 0 | 108 | R173 G174 | N171-R173 PolarHBondContact O-N 3.22Å; N171-G174 PolarHBondContact N-O 2.7Å; N171-G174 PolarHBondContact O-N 3.02Å |
| 172 | E | 94.8 | Very high | 96.2 | Very high | 187 Ų | 187 | 62.1 Ų | 62.1 | 87% | 0.874 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50 | -33.8 | 177.8 | -59.8 | 169.2 | 162.6 | 0 | 0 | 113.4 | ||
| 173 | R | 94.6 | Very high | 96.2 | Very high | 248 Ų | 248 | 56.4 Ų | 56.4 | 94% | 0.936 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | 5.7 | 179.6 | -62.2 | -176.1 | 177.1 | -127.9 | -0.8 | 114.8 | N171 | N171-R173 PolarHBondContact O-N 3.22Š|
| 174 | G | 94.7 | Very high | 96.1 | Very high | 29 Ų | 29 | 58.6 Ų | 58.6 | 30% | 0.299 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 110.1 | -159.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | N171 K176 | N171-G174 PolarHBondContact N-O 2.7Å; N171-G174 PolarHBondContact O-N 3.02Å; G174-K176 PolarHBondContact O-N 2.98Å |
| 175 | S | 95.9 | Very high | 96.1 | Very high | 14 Ų | 14 | 56.6 Ų | 56.6 | 10% | 0.098 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.7 | 132.8 | -174.1 | 174.7 | 0 | 0 | 0 | 0 | 111.9 | F146 G177 | F146-S175 VanDerWaalsContact CD1-O 3.25Å; F146-S175 WeakPolarHBondContact CD1-O 3.47Å; F146-S175 VanDerWaalsContact O-CB 3.31Å; F146-S175 WeakPolarHBondContact O-CB 3.06Å; S175-G177 PolarHBondContact O-N 2.69Å; S175-G177 PolarHBondContact OG-N 2.92Å |
| 176 | K | 96.9 | Very high | 96.1 | Very high | 127 Ų | 127 | 56.3 Ų | 56.3 | 55% | 0.552 | 27% | 0.272 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 6.1 | 176.8 | -161.2 | 173.4 | 160.9 | -158.7 | 0 | 112.7 | I169 G174 F178 | I169-K176 HydrophobicContact CG2-CB 4.43Å; I169-K176 HydrophobicContact CG2-CD 4.35Å; I169-K176 VanDerWaalsContact O-CB 3.26Å; I169-K176 WeakPolarHBondContact O-CB 3.3Å; I169-K176 PolarHBondContact O-N 2.63Å; G174-K176 PolarHBondContact O-N 2.98Å; K176-F178 HydrophobicContact CB-CD1 4.19Å; K176-F178 HydrophobicContact CB-CE1 3.99Å; K176-F178 HydrophobicContact CD-CD1 4.48Å; K176-F178 HydrophobicContact CD-CE1 3.59Å; K176-F178 HydrophobicContact CD-CZ 4.33Å; K176-F178 HydrophobicContact CG-CD1 4.18Å; K176-F178 HydrophobicContact CG-CE1 3.76Å |
| 177 | G | 96.4 | Very high | 96.1 | Very high | 6 Ų | 6 | 57.8 Ų | 57.8 | 6% | 0.062 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 76.1 | 19.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | N143 I144 S175 | N143-G177 WeakPolarHBondContact CA-O 3.46Å; N143-G177 PolarHBondContact N-O 2.93Å; I144-G177 WeakPolarHBondContact CG1-O 3.42Å; I144-G177 PolarHBondContact N-O 3.06Å; S175-G177 PolarHBondContact O-N 2.69Å; S175-G177 PolarHBondContact OG-N 2.92Å |
| 178 | F | 97.4 | Very high | 96 | Very high | 37 Ų | 37 | 56.6 Ų | 56.6 | 16% | 0.162 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 163 | 169.7 | 74.4 | -88.9 | 0 | 0 | 0 | 111.7 | H140 V141 I169 K176 F180 | H140-F178 AromaticContact CD2-CD2 3.7Å; H140-F178 AromaticContact NE2-CD2 3.29Å; H140-F178 VanDerWaalsContact NE2-CD2 3.29Å; H140-F178 WeakPolarHBondContact NE2-CD2 3.31Å; H140-F178 AromaticContact NE2-CE2 3.94Å; H140-F178 AromaticContact NE2-CG 3.73Å; V141-F178 CarbonylContact O-C 3.55Å; V141-F178 WeakPolarHBondContact O-CA 3.42Å; V141-F178 VanDerWaalsContact O-CB 3.24Å; V141-F178 WeakPolarHBondContact O-CB 3.39Å; I169-F178 HydrophobicContact CB-CD2 4.38Å; I169-F178 HydrophobicContact CB-CE1 4.2Å; I169-F178 HydrophobicContact CB-CE2 3.81Å; I169-F178 HydrophobicContact CB-CZ 3.7Å; I169-F178 HydrophobicContact CG1-CD2 4.11Å; I169-F178 HydrophobicContact CG1-CE2 3.42Å; I169-F178 VanDerWaalsContact CG1-CE2 3.42Å; I169-F178 HydrophobicContact CG1-CZ 3.75Å; I169-F178 HydrophobicContact CG2-CE1 4.31Å; I169-F178 HydrophobicContact CG2-CE2 4.39Å; I169-F178 HydrophobicContact CG2-CZ 3.83Å; I169-F178 PolarHBondContact N-O 3.22Å; I169-F178 VanDerWaalsContact N-O 3.17Å; K176-F178 HydrophobicContact CB-CD1 4.19Å; K176-F178 HydrophobicContact CB-CE1 3.99Å; K176-F178 HydrophobicContact CD-CD1 4.48Å; K176-F178 HydrophobicContact CD-CE1 3.59Å; K176-F178 HydrophobicContact CD-CZ 4.33Å; K176-F178 HydrophobicContact CG-CD1 4.18Å; K176-F178 HydrophobicContact CG-CE1 3.76Å; F178-F180 HydrophobicContact CD2-CE2 4.4Å; F178-F180 AromaticContact CE2-CE2 3.95Å; F178-F180 HydrophobicContact CE2-CE2 3.95Å; F178-F180 HydrophobicContact CE2-CZ 4.1Å |
| 179 | G | 97 | Very high | 96 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | -170.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | V141 E167 | V141-G179 PolarHBondContact N-O 3.35Å; V141-G179 PolarHBondContact O-N 2.87Å; E167-G179 CarbonylContact O-C 3.37Å; E167-G179 WeakPolarHBondContact O-CA 3.38Å |
| 180 | F | 97.5 | Very high | 96 | Very high | 32 Ų | 32 | 55.2 Ų | 55.2 | 14% | 0.14 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 142 | 178.1 | -57.2 | -86.2 | 0 | 0 | 0 | 110.1 | R138 L139 H140 V166 E167 I169 F178 A211 | R138-F180 HydrophobicContact CG-CB 4.19Å; R138-F180 VanDerWaalsContact CZ-CD1 3.47Å; L139-F180 WeakPolarHBondContact O-CA 3.37Å; H140-F180 HydrophobicContact CB-CD1 4.01Å; H140-F180 HydrophobicContact CB-CE1 3.96Å; H140-F180 AromaticContact CD2-CE1 3.58Å; H140-F180 AromaticContact CD2-CZ 3.94Å; V166-F180 WeakPolarHBondContact CA-O 3.32Å; E167-F180 HydrophobicContact CB-CB 4.45Å; E167-F180 HydrophobicContact CG-CD2 4.39Å; E167-F180 PolarHBondContact N-O 3.36Å; E167-F180 PolarHBondContact O-N 3.49Å; I169-F180 HydrophobicContact CD1-CD2 4.37Å; I169-F180 HydrophobicContact CD1-CE2 4.05Å; I169-F180 HydrophobicContact CG1-CD2 4.3Å; I169-F180 HydrophobicContact CG1-CE2 3.83Å; F178-F180 HydrophobicContact CD2-CE2 4.4Å; F178-F180 AromaticContact CE2-CE2 3.95Å; F178-F180 HydrophobicContact CE2-CE2 3.95Å; F178-F180 HydrophobicContact CE2-CZ 4.1Å; F180-A211 HydrophobicContact CD1-CB 3.67Å; F180-A211 HydrophobicContact CE1-CB 3.92Å |
| 181 | V | 97.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 123 | 176.7 | 179.2 | 0 | 0 | 0 | 0 | 107.9 | R138 L139 V141 L153 F157 I163 V166 F183 | R138-V181 CarbonylContact C-O 3.51Å; R138-V181 WeakPolarHBondContact CA-O 3.41Å; L139-V181 PolarHBondContact N-O 3.39Å; L139-V181 PolarHBondContact O-N 3.29Å; V141-V181 HydrophobicContact CG2-CG2 4.06Å; L153-V181 HydrophobicContact CB-CG2 4.34Å; L153-V181 HydrophobicContact CD1-CG2 4.31Å; F157-V181 HydrophobicContact CB-CG1 4.18Å; F157-V181 HydrophobicContact CD1-CG1 4.47Å; F157-V181 HydrophobicContact CD2-CG2 4.08Å; F157-V181 HydrophobicContact CE2-CG2 4.3Å; F157-V181 HydrophobicContact CG-CG1 4.28Å; F157-V181 HydrophobicContact CG-CG2 4.26Å; I163-V181 HydrophobicContact CD1-CG1 3.97Å; I163-V181 HydrophobicContact CG1-CG1 3.96Å; I163-V181 HydrophobicContact CG2-CG1 3.9Å; V166-V181 HydrophobicContact CG1-CG2 4.4Å; V181-F183 HydrophobicContact CG1-CD2 4.12Å; V181-F183 HydrophobicContact CG1-CE2 3.8Å; V181-F183 HydrophobicContact CG1-CZ 4.45Å |
| 182 | T | 96.1 | Very high | 96.1 | Very high | 19 Ų | 19 | 51 Ų | 51 | 12% | 0.117 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 110.5 | 178.2 | -49.1 | 0 | 0 | 0 | 0 | 109.6 | P136 R138 L164 D165 | P136-T182 HydrophobicContact CB-CG2 4.33Å; R138-T182 HydrophobicContact CB-CG2 4.42Å; R138-T182 WeakPolarHBondContact CG-OG1 3.48Å; L164-T182 PolarHBondContact N-O 3.3Å; D165-T182 PolarHBondContact N-O 2.84Å; D165-T182 PolarHBondContact O-N 3.41Å |
| 183 | F | 96.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 153.5 | 171.1 | -75.4 | -95.3 | 0 | 0 | 0 | 111.2 | P136 K137 L139 F157 F160 K162 I163 V181 D188 A189 A192 | P136-F183 CarbonylContact C-O 3.59Å; P136-F183 WeakPolarHBondContact CA-O 3.29Å; P136-F183 VanDerWaalsContact CB-O 3.26Å; P136-F183 WeakPolarHBondContact CB-O 3.47Å; K137-F183 PolarHBondContact N-O 2.85Å; K137-F183 PolarHBondContact O-N 3.27Å; L139-F183 HydrophobicContact CD1-CD2 4.2Å; L139-F183 HydrophobicContact CD1-CE2 3.8Å; F157-F183 HydrophobicContact CB-CE2 4.4Å; F157-F183 HydrophobicContact CB-CZ 3.88Å; F157-F183 AromaticContact CD1-CE2 3.9Å; F157-F183 HydrophobicContact CD1-CE2 3.9Å; F157-F183 AromaticContact CD1-CZ 3.94Å; F157-F183 HydrophobicContact CD1-CZ 3.94Å; F157-F183 HydrophobicContact CG-CZ 4.42Å; F160-F183 HydrophobicContact CB-CE1 4.34Å; F160-F183 HydrophobicContact CB-CZ 4.49Å; K162-F183 WeakPolarHBondContact O-CA 3.21Å; I163-F183 HydrophobicContact CG1-CD1 4.33Å; I163-F183 HydrophobicContact CG1-CE1 4.11Å; I163-F183 HydrophobicContact CG1-CZ 4.36Å; V181-F183 HydrophobicContact CG1-CD2 4.12Å; V181-F183 HydrophobicContact CG1-CE2 3.8Å; V181-F183 HydrophobicContact CG1-CZ 4.45Å; F183-D188 HydrophobicContact CD1-CB 3.98Å; F183-D188 HydrophobicContact CE1-CB 4.44Å; F183-A189 HydrophobicContact CB-CB 4.03Å; F183-A189 HydrophobicContact CD2-CB 3.63Å; F183-A189 HydrophobicContact CE2-CB 4.32Å; F183-A189 HydrophobicContact CG-CB 3.96Å; F183-A192 HydrophobicContact CE1-CB 4.45Å; F183-A192 HydrophobicContact CE2-CB 3.94Å; F183-A192 HydrophobicContact CZ-CB 3.59Å |
| 184 | E | 95 | Very high | 96.3 | Very high | 66 Ų | 66 | 38.5 Ų | 38.5 | 31% | 0.308 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -70.7 | -34.1 | 171.5 | -178.9 | 166.6 | -123.6 | 0 | 0 | 112.9 | S134 P136 K162 L164 | S134-E184 CarbonylContact C-O 3.5Å; S134-E184 PolarHBondContact OG-O 3.43Å; P136-E184 WeakPolarHBondContact CA-O 3.12Å; K162-E184 HydrophobicContact CB-CB 4.35Å; K162-E184 VanDerWaalsContact CD-OE2 3.26Å; K162-E184 WeakPolarHBondContact CD-OE2 3.5Å; K162-E184 WeakPolarHBondContact CE-OE2 3.4Å; K162-E184 HydrophobicContact CG-CB 4.39Å; K162-E184 WeakPolarHBondContact CG-OE2 3.26Å; K162-E184 IonicContact NZ-OE1 2.82Å; K162-E184 PolarHBondContact NZ-OE1 3.49Å; K162-E184 IonicContact NZ-OE2 3.22Å; K162-E184 PolarHBondContact NZ-OE2 2.8Å; K162-E184 PolarHBondContact O-N 2.75Å; L164-E184 HydrophobicContact CD1-CB 4.27Å; L164-E184 HydrophobicContact CD2-CB 3.96Å; L164-E184 HydrophobicContact CD2-CG 4.31Å; L164-E184 HydrophobicContact CG-CB 3.98Å |
| 185 | N | 95.1 | Very high | 96.4 | Very high | 45 Ų | 45 | 43.9 Ų | 43.9 | 24% | 0.241 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -121.7 | 132.4 | -174.1 | -173.1 | 43.6 | 0 | 0 | 0 | 110.7 | S134 D188 | S134-N185 WeakPolarHBondContact CA-OD1 3.38Å; N185-D188 HydrophobicContact CB-CB 4.41Å; N185-D188 PolarHBondContact ND2-OD1 3.28Å; N185-D188 PolarHBondContact O-N 2.86Å |
| 186 | S | 94.7 | Very high | 96.5 | Very high | 41 Ų | 41 | 43.8 Ų | 43.8 | 29% | 0.287 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -64.7 | -44.8 | -172.5 | 53.5 | 0 | 0 | 0 | 0 | 113.2 | Q135 D188 A189 D190 | Q135-S186 PolarHBondContact O-N 3.48Å; S186-D188 PolarHBondContact O-N 2.98Å; S186-A189 WeakPolarHBondContact O-CB 3.48Å; S186-A189 PolarHBondContact O-N 3.27Å; S186-A189 VanDerWaalsContact O-N 3.14Å; S186-D190 PolarHBondContact O-N 3.16Å; S186-D190 VanDerWaalsContact O-OD2 3.13Å |
| 187 | A | 95.6 | Very high | 96.5 | Very high | 47 Ų | 47 | 42.1 Ų | 42.1 | 39% | 0.388 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -61.2 | -31.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | D190 R191 | A187-D190 PolarHBondContact O-N 3.19Å; A187-R191 WeakPolarHBondContact O-CG 2.95Å; A187-R191 PolarHBondContact O-N 2.8Å; A187-R191 VanDerWaalsContact O-N 3.1Å; A187-R191 PolarHBondContact O-NH1 3.03Å |
| 188 | D | 96.2 | Very high | 96.5 | Very high | 23 Ų | 23 | 42.9 Ų | 42.9 | 12% | 0.123 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -68.7 | -37.9 | 178.4 | -60.8 | 1.9 | 0 | 0 | 0 | 111.1 | G161 F183 N185 S186 R191 A192 | G161-D188 WeakPolarHBondContact CA-OD2 3.31Å; F183-D188 HydrophobicContact CD1-CB 3.98Å; F183-D188 HydrophobicContact CE1-CB 4.44Å; N185-D188 HydrophobicContact CB-CB 4.41Å; N185-D188 PolarHBondContact ND2-OD1 3.28Å; N185-D188 PolarHBondContact O-N 2.86Å; S186-D188 PolarHBondContact O-N 2.98Å; D188-R191 PolarHBondContact O-N 2.89Å; D188-R191 IonicContact OD1-CZ 3.9Å; D188-R191 VanDerWaalsContact OD1-CZ 3.22Å; D188-R191 IonicContact OD1-NH1 3.9Å; D188-R191 PolarHBondContact OD1-NH1 3.06Å; D188-R191 IonicContact OD1-NH2 3.22Å; D188-R191 PolarHBondContact OD1-NH2 3.34Å; D188-R191 IonicContact OD2-NH2 2.74Å; D188-A192 WeakPolarHBondContact O-CB 3.15Å; D188-A192 PolarHBondContact O-N 2.98Å |
| 189 | A | 96.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -67.4 | -36.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | K137 L139 F183 S186 A192 R193 | K137-A189 HydrophobicContact CB-CB 3.87Å; K137-A189 HydrophobicContact CD-CB 3.98Å; K137-A189 HydrophobicContact CG-CB 3.79Å; L139-A189 HydrophobicContact CD1-CB 4.07Å; L139-A189 WeakPolarHBondContact CD1-O 3.48Å; L139-A189 HydrophobicContact CD2-CB 4.04Å; L139-A189 HydrophobicContact CG-CB 4.02Å; F183-A189 HydrophobicContact CB-CB 4.03Å; F183-A189 HydrophobicContact CD2-CB 3.63Å; F183-A189 HydrophobicContact CE2-CB 4.32Å; F183-A189 HydrophobicContact CG-CB 3.96Å; S186-A189 WeakPolarHBondContact O-CB 3.48Å; S186-A189 PolarHBondContact O-N 3.27Å; S186-A189 VanDerWaalsContact O-N 3.14Å; A189-A192 PolarHBondContact O-N 3.35Å; A189-R193 VanDerWaalsContact O-CB 3.31Å; A189-R193 WeakPolarHBondContact O-CB 3.43Å; A189-R193 PolarHBondContact O-N 2.89Å |
| 190 | D | 96.3 | Very high | 96.5 | Very high | 37 Ų | 37 | 48.3 Ų | 48.3 | 20% | 0.198 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -66.5 | -44.8 | 174.1 | -69.1 | -67.1 | 0 | 0 | 0 | 111.4 | K137 S186 A187 A192 R193 E194 | K137-D190 IonicContact NZ-OD1 3.5Å; K137-D190 PolarHBondContact NZ-OD1 3.34Å; K137-D190 IonicContact NZ-OD2 3.64Å; K137-D190 PolarHBondContact NZ-OD2 3.21Å; S186-D190 PolarHBondContact O-N 3.16Å; S186-D190 VanDerWaalsContact O-OD2 3.13Å; A187-D190 PolarHBondContact O-N 3.19Å; D190-A192 VanDerWaalsContact C-N 3.34Å; D190-A192 PolarHBondContact O-N 2.87Å; D190-R193 WeakPolarHBondContact O-CB 3.49Å; D190-R193 PolarHBondContact O-N 3.15Å; D190-R193 IonicContact OD1-CZ 2.7Å; D190-R193 IonicContact OD1-NH1 3.12Å; D190-R193 PolarHBondContact OD1-NH1 2.82Å; D190-R193 IonicContact OD1-NH2 2.66Å; D190-R193 PolarHBondContact OD1-NH2 2.71Å; D190-E194 WeakPolarHBondContact O-CB 3.31Å; D190-E194 WeakPolarHBondContact O-CG 3.38Å; D190-E194 PolarHBondContact O-N 3.11Å |
| 191 | R | 97.1 | Very high | 96.4 | Very high | 114 Ų | 114 | 48 Ų | 48 | 43% | 0.43 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -57.8 | -45.4 | 172.9 | -66.6 | -166.9 | -49.7 | -83.8 | 5.4 | 111.9 | F160 A187 D188 E194 K195 | F160-R191 PolarHBondContact O-NH2 3.02Å; A187-R191 WeakPolarHBondContact O-CG 2.95Å; A187-R191 PolarHBondContact O-N 2.8Å; A187-R191 VanDerWaalsContact O-N 3.1Å; A187-R191 PolarHBondContact O-NH1 3.03Å; D188-R191 PolarHBondContact O-N 2.89Å; D188-R191 IonicContact OD1-CZ 3.9Å; D188-R191 VanDerWaalsContact OD1-CZ 3.22Å; D188-R191 IonicContact OD1-NH1 3.9Å; D188-R191 PolarHBondContact OD1-NH1 3.06Å; D188-R191 IonicContact OD1-NH2 3.22Å; D188-R191 PolarHBondContact OD1-NH2 3.34Å; D188-R191 IonicContact OD2-NH2 2.74Å; R191-E194 PolarHBondContact O-N 2.85Å; R191-K195 PolarHBondContact O-N 3.48Å; R191-K195 VanDerWaalsContact O-N 3.15Å |
| 192 | A | 97.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.8 | -45 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L139 F157 F160 F183 D188 A189 D190 E194 K195 L196 | L139-A192 HydrophobicContact CD1-CB 4.35Å; F157-A192 HydrophobicContact CD1-CB 3.98Å; F157-A192 HydrophobicContact CE1-CB 4.42Å; F160-A192 HydrophobicContact CB-CB 3.7Å; F160-A192 HydrophobicContact CD1-CB 4.5Å; F160-A192 HydrophobicContact CD2-CB 3.7Å; F160-A192 HydrophobicContact CG-CB 3.71Å; F183-A192 HydrophobicContact CE1-CB 4.45Å; F183-A192 HydrophobicContact CE2-CB 3.94Å; F183-A192 HydrophobicContact CZ-CB 3.59Å; D188-A192 WeakPolarHBondContact O-CB 3.15Å; D188-A192 PolarHBondContact O-N 2.98Å; A189-A192 PolarHBondContact O-N 3.35Å; D190-A192 VanDerWaalsContact C-N 3.34Å; D190-A192 PolarHBondContact O-N 2.87Å; A192-E194 PolarHBondContact O-N 2.81Å; A192-K195 PolarHBondContact O-N 2.95Å; A192-L196 VanDerWaalsContact O-CB 3.3Å; A192-L196 WeakPolarHBondContact O-CB 3.45Å; A192-L196 PolarHBondContact O-N 3.05Å |
| 193 | R | 97.5 | Very high | 96.2 | Very high | 57 Ų | 57 | 57 Ų | 57 | 22% | 0.215 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -56.1 | -50.7 | 174.1 | 179.6 | -164.9 | 66.6 | -147.7 | -6.2 | 110.9 | L139 A189 D190 K195 L196 H197 V208 N210 | L139-R193 HydrophobicContact CD1-CB 4.44Å; L139-R193 HydrophobicContact CD2-CB 4.43Å; A189-R193 VanDerWaalsContact O-CB 3.31Å; A189-R193 WeakPolarHBondContact O-CB 3.43Å; A189-R193 PolarHBondContact O-N 2.89Å; D190-R193 WeakPolarHBondContact O-CB 3.49Å; D190-R193 PolarHBondContact O-N 3.15Å; D190-R193 IonicContact OD1-CZ 2.7Å; D190-R193 IonicContact OD1-NH1 3.12Å; D190-R193 PolarHBondContact OD1-NH1 2.82Å; D190-R193 IonicContact OD1-NH2 2.66Å; D190-R193 PolarHBondContact OD1-NH2 2.71Å; R193-K195 VanDerWaalsContact C-N 3.28Å; R193-K195 PolarHBondContact O-N 2.82Å; R193-L196 PolarHBondContact O-N 2.88Å; R193-H197 WeakPolarHBondContact O-CB 3.37Å; R193-H197 PolarHBondContact O-N 2.79Å; R193-V208 HydrophobicContact CB-CG1 4.02Å; R193-V208 HydrophobicContact CG-CB 4.25Å; R193-V208 HydrophobicContact CG-CG1 4.1Å; R193-V208 WeakPolarHBondContact CG-O 3.42Å; R193-N210 PolarHBondContact NH1-OD1 3.32Å |
| 194 | E | 96.6 | Very high | 96.2 | Very high | 115 Ų | 115 | 60.5 Ų | 60.5 | 54% | 0.537 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -70.1 | -19.3 | -174.6 | -75.7 | 159.1 | -150.1 | 0 | 0 | 114.6 | D190 R191 A192 | D190-E194 WeakPolarHBondContact O-CB 3.31Å; D190-E194 WeakPolarHBondContact O-CG 3.38Å; D190-E194 PolarHBondContact O-N 3.11Å; R191-E194 PolarHBondContact O-N 2.85Å; A192-E194 PolarHBondContact O-N 2.81Å |
| 195 | K | 96.8 | Very high | 96.3 | Very high | 142 Ų | 142 | 63.4 Ų | 63.4 | 62% | 0.617 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -103.4 | -19.6 | 176.5 | -59.7 | -48.6 | -179.9 | -158.4 | 0 | 114.7 | F160 R191 A192 R193 T199 | F160-K195 HydrophobicContact CE1-CB 3.71Å; F160-K195 HydrophobicContact CE1-CG 4.01Å; F160-K195 HydrophobicContact CZ-CB 3.73Å; R191-K195 PolarHBondContact O-N 3.48Å; R191-K195 VanDerWaalsContact O-N 3.15Å; A192-K195 PolarHBondContact O-N 2.95Å; R193-K195 VanDerWaalsContact C-N 3.28Å; R193-K195 PolarHBondContact O-N 2.82Å; K195-T199 WeakPolarHBondContact O-CG2 3.18Å |
| 196 | L | 96.8 | Very high | 96.4 | Very high | 11 Ų | 11 | 61.2 Ų | 61.2 | 6% | 0.058 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -105.4 | -19.8 | 177.2 | -65.5 | 175.4 | 0 | 0 | 0 | 113.9 | M156 F157 F160 A192 R193 G198 T199 I206 V208 | M156-L196 HydrophobicContact CG-CD1 3.96Å; M156-L196 HydrophobicContact CG-CD2 3.8Å; M156-L196 HydrophobicContact SD-CD2 4.24Å; F157-L196 HydrophobicContact CD1-CD1 3.55Å; F157-L196 HydrophobicContact CD2-CD1 3.95Å; F157-L196 HydrophobicContact CE1-CD1 3.46Å; F157-L196 VanDerWaalsContact CE1-CD1 3.46Å; F157-L196 HydrophobicContact CE2-CD1 3.87Å; F157-L196 HydrophobicContact CG-CD1 3.78Å; F157-L196 HydrophobicContact CZ-CD1 3.61Å; F160-L196 HydrophobicContact CD2-CD1 4.19Å; F160-L196 HydrophobicContact CE2-CD1 3.68Å; F160-L196 HydrophobicContact CE2-CD2 4.15Å; F160-L196 HydrophobicContact CE2-CG 3.71Å; F160-L196 HydrophobicContact CZ-CG 4.21Å; A192-L196 VanDerWaalsContact O-CB 3.3Å; A192-L196 WeakPolarHBondContact O-CB 3.45Å; A192-L196 PolarHBondContact O-N 3.05Å; R193-L196 PolarHBondContact O-N 2.88Å; L196-G198 PolarHBondContact O-N 2.82Å; L196-G198 VanDerWaalsContact O-N 3.13Å; L196-T199 PolarHBondContact O-N 2.88Å; L196-T199 PolarHBondContact O-OG1 2.92Å; L196-T199 VanDerWaalsContact O-OG1 3.07Å; L196-I206 HydrophobicContact CB-CD1 4.27Å; L196-I206 WeakPolarHBondContact O-CG1 3.24Å; L196-V208 HydrophobicContact CB-CG2 3.85Å |
| 197 | H | 97.6 | Very high | 96.6 | Very high | 92 Ų | 92 | 63.4 Ų | 63.4 | 43% | 0.426 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | 119.1 | 174.9 | -177.2 | 108.5 | 0 | 0 | 0 | 110.1 | R193 V208 | R193-H197 WeakPolarHBondContact O-CB 3.37Å; R193-H197 PolarHBondContact O-N 2.79Å; H197-V208 HydrophobicContact CB-CB 4.18Å; H197-V208 PolarHBondContact ND1-N 2.87Å; H197-V208 PolarHBondContact ND1-O 3.34Å |
| 198 | G | 96.6 | Very high | 96.7 | Very high | 23 Ų | 23 | 61.2 Ų | 61.2 | 24% | 0.237 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82.5 | 7.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | L196 K205 I206 | L196-G198 PolarHBondContact O-N 2.82Å; L196-G198 VanDerWaalsContact O-N 3.13Å; G198-K205 WeakPolarHBondContact O-CE 3.09Å; G198-I206 WeakPolarHBondContact CA-O 3.37Å; G198-I206 PolarHBondContact N-O 3.45Å |
| 199 | T | 96.8 | Very high | 96.7 | Very high | 48 Ų | 48 | 63.5 Ų | 63.5 | 29% | 0.294 | 32% | 0.323 | S | S | . | . | trans | -73.4 | 161 | 169.9 | 62.2 | 0 | 0 | 0 | 0 | 111.1 | K195 L196 K205 I206 | K195-T199 WeakPolarHBondContact O-CG2 3.18Å; L196-T199 PolarHBondContact O-N 2.88Å; L196-T199 PolarHBondContact O-OG1 2.92Å; L196-T199 VanDerWaalsContact O-OG1 3.07Å; T199-K205 CarbonylContact O-C 3.55Å; T199-K205 VanDerWaalsContact O-CA 3.31Å; T199-K205 WeakPolarHBondContact O-CA 3.43Å; T199-I206 PolarHBondContact O-N 3.17Å; T199-I206 WeakPolarHBondContact OG1-CG1 3.13Å | ||
| 200 | V | 96.9 | Very high | 96.7 | Very high | 102 Ų | 102 | 67.9 Ų | 67.9 | 62% | 0.618 | 35% | 0.346 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 123.7 | -179.5 | -178.1 | 0 | 0 | 0 | 0 | 110.1 | R204 K205 | V200-R204 CarbonylContact C-O 3.56Å; V200-R204 WeakPolarHBondContact CA-O 3.4Å; V200-K205 HydrophobicContact CG2-CB 4.44Å |
| 201 | V | 94.9 | Very high | 96.6 | Very high | 26 Ų | 26 | 67.1 Ų | 67.1 | 16% | 0.158 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 122.2 | -175 | -175.5 | 0 | 0 | 0 | 0 | 108.5 | F148 M156 G203 R204 I206 | F148-V201 HydrophobicContact CE1-CG1 4.16Å; F148-V201 HydrophobicContact CE2-CG1 4.11Å; F148-V201 HydrophobicContact CZ-CG1 3.42Å; F148-V201 VanDerWaalsContact CZ-CG1 3.42Å; M156-V201 HydrophobicContact SD-CG1 4.47Å; M156-V201 HydrophobicContact SD-CG2 3.87Å; V201-G203 PolarHBondContact O-N 3.37Å; V201-G203 VanDerWaalsContact O-N 3.14Å; V201-R204 PolarHBondContact N-O 3.28Å; V201-R204 PolarHBondContact O-N 3.22Å; V201-I206 HydrophobicContact CB-CG2 3.97Å; V201-I206 HydrophobicContact CG2-CD1 3.97Å; V201-I206 HydrophobicContact CG2-CG1 4.14Å; V201-I206 HydrophobicContact CG2-CG2 3.97Å |
| 202 | E | 93.8 | Very high | 96.2 | Very high | 138 Ų | 138 | 67.6 Ų | 67.6 | 65% | 0.645 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45.9 | 38.7 | -169.4 | -53.3 | -165.3 | 109.2 | 0 | 0 | 113.5 | P145 F148 R204 | P145-E202 HydrophobicContact CB-CB 4.41Å; P145-E202 WeakPolarHBondContact CB-OE2 3.48Å; P145-E202 HydrophobicContact CG-CB 3.72Å; P145-E202 HydrophobicContact CG-CG 3.93Å; P145-E202 WeakPolarHBondContact CG-OE2 3.25Å; F148-E202 HydrophobicContact CE2-CG 4.38Å; E202-R204 VanDerWaalsContact C-N 3.28Å; E202-R204 PolarHBondContact O-N 3.03Å |
| 203 | G | 95.4 | Very high | 95.4 | Very high | 71 Ų | 71 | 71 Ų | 71 | 73% | 0.732 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.3 | -2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | V201 | V201-G203 PolarHBondContact O-N 3.37Å; V201-G203 VanDerWaalsContact O-N 3.14Å |
| 204 | R | 96.7 | Very high | 94.6 | Very high | 72 Ų | 72 | 73.6 Ų | 73.6 | 27% | 0.272 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 130.7 | 173.8 | -68.2 | -173 | 167.9 | -173.2 | -7.9 | 111.7 | N143 I144 V200 V201 E202 I206 | N143-R204 WeakPolarHBondContact O-CB 3.48Å; N143-R204 WeakPolarHBondContact O-CD 3.48Å; I144-R204 PolarHBondContact O-NH1 2.98Å; V200-R204 CarbonylContact C-O 3.56Å; V200-R204 WeakPolarHBondContact CA-O 3.4Å; V201-R204 PolarHBondContact N-O 3.28Å; V201-R204 PolarHBondContact O-N 3.22Å; E202-R204 VanDerWaalsContact C-N 3.28Å; E202-R204 PolarHBondContact O-N 3.03Å; R204-I206 PolarHBondContact O-N 2.92Å |
| 205 | K | 97.6 | Very high | 93.6 | Very high | 127 Ų | 127 | 74.7 Ų | 74.7 | 55% | 0.552 | 41% | 0.413 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73 | 105.6 | 169.2 | -173.8 | 179.9 | 180 | -176.2 | 0 | 109.3 | N143 G198 T199 V200 | N143-K205 WeakPolarHBondContact CB-O 3.31Å; N143-K205 PolarHBondContact ND2-O 3.17Å; G198-K205 WeakPolarHBondContact O-CE 3.09Å; T199-K205 CarbonylContact O-C 3.55Å; T199-K205 VanDerWaalsContact O-CA 3.31Å; T199-K205 WeakPolarHBondContact O-CA 3.43Å; V200-K205 HydrophobicContact CG2-CB 4.44Å |
| 206 | I | 97.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 75.7 Ų | 75.7 | 0% | 0 | 42% | 0.422 | C | S | . | . | trans | -76.9 | 155.4 | 178.5 | 66.3 | 163.5 | 0 | 0 | 0 | 110.8 | S142 I144 M156 L196 G198 T199 V201 R204 | S142-I206 WeakPolarHBondContact O-CA 3.29Å; I144-I206 HydrophobicContact CG2-CG2 4.01Å; M156-I206 HydrophobicContact CE-CD1 3.56Å; M156-I206 HydrophobicContact SD-CD1 3.98Å; L196-I206 HydrophobicContact CB-CD1 4.27Å; L196-I206 WeakPolarHBondContact O-CG1 3.24Å; G198-I206 WeakPolarHBondContact CA-O 3.37Å; G198-I206 PolarHBondContact N-O 3.45Å; T199-I206 PolarHBondContact O-N 3.17Å; T199-I206 WeakPolarHBondContact OG1-CG1 3.13Å; V201-I206 HydrophobicContact CB-CG2 3.97Å; V201-I206 HydrophobicContact CG2-CD1 3.97Å; V201-I206 HydrophobicContact CG2-CG1 4.14Å; V201-I206 HydrophobicContact CG2-CG2 3.97Å; R204-I206 PolarHBondContact O-N 2.92Å | ||
| 207 | E | 97.7 | Very high | 90.8 | Very high | 87 Ų | 87 | 80.7 Ų | 80.7 | 41% | 0.407 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 136.1 | 178 | -65.7 | 174 | 155.9 | 0 | 0 | 109.3 | V141 S142 | V141-E207 CarbonylContact C-O 3.46Å; V141-E207 VanDerWaalsContact CA-O 3.31Å; V141-E207 WeakPolarHBondContact CA-O 3.2Å; S142-E207 PolarHBondContact N-O 2.74Å; S142-E207 PolarHBondContact O-N 2.96Å; S142-E207 WeakPolarHBondContact OG-CB 3.41Å; S142-E207 PolarHBondContact OG-OE2 2.66Å |
| 208 | V | 98 | Very high | 88.7 | Confident | 0 Ų | 0 | 82.6 Ų | 82.6 | 0% | 0 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 122.6 | 176.1 | -169.7 | 0 | 0 | 0 | 0 | 109.3 | L139 H140 V141 F157 R193 L196 H197 | L139-V208 HydrophobicContact CB-CG1 4.08Å; L139-V208 HydrophobicContact CD1-CG1 3.76Å; L139-V208 HydrophobicContact CG-CG1 4.36Å; H140-V208 WeakPolarHBondContact O-CA 3.49Å; V141-V208 HydrophobicContact CG1-CG2 4.39Å; F157-V208 HydrophobicContact CE1-CG1 4.06Å; F157-V208 HydrophobicContact CE1-CG2 4.2Å; F157-V208 HydrophobicContact CZ-CG1 4.33Å; F157-V208 HydrophobicContact CZ-CG2 3.84Å; R193-V208 HydrophobicContact CB-CG1 4.02Å; R193-V208 HydrophobicContact CG-CB 4.25Å; R193-V208 HydrophobicContact CG-CG1 4.1Å; R193-V208 WeakPolarHBondContact CG-O 3.42Å; L196-V208 HydrophobicContact CB-CG2 3.85Å; H197-V208 HydrophobicContact CB-CB 4.18Å; H197-V208 PolarHBondContact ND1-N 2.87Å; H197-V208 PolarHBondContact ND1-O 3.34Å |
| 209 | N | 97.3 | Very high | 86.8 | Confident | 71 Ų | 71 | 90 Ų | 90 | 38% | 0.38 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 162.3 | -178.2 | -76.3 | -45 | 0 | 0 | 0 | 110.4 | L139 H140 A211 | L139-N209 CarbonylContact C-O 3.6Å; L139-N209 WeakPolarHBondContact CA-O 3.38Å; H140-N209 PolarHBondContact N-O 3.25Å; H140-N209 PolarHBondContact O-N 2.7Å; N209-A211 PolarHBondContact O-N 3.24Å |
| 210 | N | 96.3 | Very high | 84.7 | Confident | 93 Ų | 93 | 96.1 Ų | 96.1 | 50% | 0.497 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 133.6 | 169.5 | -63.5 | -0.1 | 0 | 0 | 0 | 108.7 | R193 | R193-N210 PolarHBondContact NH1-OD1 3.32Å |
| 211 | A | 94.4 | Very high | 82.7 | Confident | 21 Ų | 21 | 96.9 Ų | 96.9 | 17% | 0.174 | 52% | 0.52 | C | S | . | . | P | Polyproline II helix | trans | -94 | 153.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | R138 H140 F180 N209 A213 | R138-A211 HydrophobicContact CB-CB 4.2Å; R138-A211 HydrophobicContact CG-CB 3.93Å; R138-A211 WeakPolarHBondContact O-CB 3.44Å; R138-A211 PolarHBondContact O-N 2.71Å; H140-A211 HydrophobicContact CB-CB 4Å; F180-A211 HydrophobicContact CD1-CB 3.67Å; F180-A211 HydrophobicContact CE1-CB 3.92Å; N209-A211 PolarHBondContact O-N 3.24Å; A211-A213 PolarHBondContact O-N 2.91Å |
| 212 | T | 88.7 | Confident | 80.9 | Confident | 123 Ų | 123 | 101.1 Ų | 101.1 | 76% | 0.755 | 55% | 0.545 | S | S | * | . | P | Polyproline II helix | trans | -55.7 | 131.1 | 158.3 | -44.4 | 0 | 0 | 0 | 0 | 108.8 | R138 | R138-T212 PolarHBondContact NH1-O 2.82Š|
| 213 | A | 79.9 | Confident | 78.9 | Confident | 72 Ų | 72 | 100 Ų | 100 | 60% | 0.595 | 54% | 0.543 | S | S | * | . | P | Polyproline II helix | trans | -57.8 | 140.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | A211 V215 | A211-A213 PolarHBondContact O-N 2.91Å; A213-V215 PolarHBondContact O-N 3.41Å |
| 214 | R | 80.8 | Confident | 77.2 | Confident | 111 Ų | 111 | 102.2 Ų | 102.2 | 42% | 0.419 | 55% | 0.545 | S | S | . | . | P | Polyproline II helix | trans | -60.4 | 125 | 164.8 | -91.1 | 170.5 | 157.5 | -157.7 | -19.3 | 106.8 | D165 E167 M216 | D165-R214 IonicContact OD1-NH1 3.66Å; D165-R214 IonicContact OD2-CZ 2.79Å; D165-R214 IonicContact OD2-NH1 3.73Å; D165-R214 PolarHBondContact OD2-NH1 3.29Å; E167-R214 VanDerWaalsContact CD-CZ 3.48Å; E167-R214 IonicContact OE1-CZ 3.77Å; E167-R214 IonicContact OE1-NE 2.7Å; E167-R214 IonicContact OE1-NH2 2.85Å; E167-R214 PolarHBondContact OE1-NH2 3.06Å; E167-R214 IonicContact OE2-CZ 3.25Å; E167-R214 IonicContact OE2-NE 2.66Å; E167-R214 PolarHBondContact OE2-NE 3.02Å; E167-R214 IonicContact OE2-NH2 3.89Å; E167-R214 PolarHBondContact OE2-NH2 2.81Å; R214-M216 PolarHBondContact O-N 2.78Å |
| 215 | V | 75.8 | Confident | 75 | Confident | 138 Ų | 138 | 108.6 Ų | 108.6 | 84% | 0.836 | 57% | 0.571 | S | S | * | * | trans | -70.8 | 82.9 | 172.8 | -178.1 | 0 | 0 | 0 | 0 | 107.8 | A213 T217 | A213-V215 PolarHBondContact O-N 3.41Å; V215-T217 PolarHBondContact O-N 2.85Å | ||
| 216 | M | 67.5 | Low | 72.9 | Confident | 163 Ų | 163 | 107.8 Ų | 107.8 | 80% | 0.803 | 58% | 0.577 | S | S | * | * | trans | -65.2 | 91 | 166.2 | -75.1 | -174.9 | 167.3 | 0 | 0 | 107.2 | R214 N218 | R214-M216 PolarHBondContact O-N 2.78Å; M216-N218 PolarHBondContact O-N 2.89Å | ||
| 217 | T | 66.5 | Low | 70.7 | Confident | 116 Ų | 116 | 115.4 Ų | 115.4 | 71% | 0.712 | 62% | 0.618 | S | S | * | * | trans | -59.4 | 108.4 | 169 | 178.7 | 0 | 0 | 0 | 0 | 107.7 | V215 K219 | V215-T217 PolarHBondContact O-N 2.85Å; T217-K219 PolarHBondContact O-N 2.93Å | ||
| 218 | N | 54 | Low | 68.6 | Low | 132 Ų | 132 | 114.7 Ų | 114.7 | 71% | 0.706 | 63% | 0.633 | S | S | * | * | trans | -70.8 | 75.2 | 176 | -172.7 | -23.2 | 0 | 0 | 0 | 108 | M216 K220 | M216-N218 PolarHBondContact O-N 2.89Å; N218-K220 PolarHBondContact O-N 3.25Å; N218-K220 WeakPolarHBondContact OD1-CA 3.39Å; N218-K220 WeakPolarHBondContact OD1-CB 3.26Å; N218-K220 PolarHBondContact OD1-N 2.87Å | ||
| 219 | K | 55.7 | Low | 66.4 | Low | 179 Ų | 179 | 125.9 Ų | 125.9 | 78% | 0.778 | 68% | 0.676 | S | S | * | * | trans | -65.7 | 81.4 | 150.5 | -79.8 | -165.5 | 68.7 | 178 | 0 | 106.4 | T217 T221 | T217-K219 PolarHBondContact O-N 2.93Å; K219-T221 VanDerWaalsContact C-N 3.34Å; K219-T221 PolarHBondContact O-N 2.77Å | ||
| 220 | K | 53.8 | Low | 64.1 | Low | 176 Ų | 176 | 131.7 Ų | 131.7 | 77% | 0.765 | 70% | 0.697 | S | S | * | * | trans | -56.8 | 106.8 | 162.3 | -169 | 162.1 | -173.7 | 170.5 | 0 | 105.3 | N218 V222 | N218-K220 PolarHBondContact O-N 3.25Å; N218-K220 WeakPolarHBondContact OD1-CA 3.39Å; N218-K220 WeakPolarHBondContact OD1-CB 3.26Å; N218-K220 PolarHBondContact OD1-N 2.87Å; K220-V222 PolarHBondContact O-N 2.79Å | ||
| 221 | T | 54.8 | Low | 61.9 | Low | 119 Ų | 119 | 134.2 Ų | 134.2 | 73% | 0.73 | 71% | 0.71 | S | S | * | * | trans | -59.5 | 97.8 | 170.1 | -62.9 | 0 | 0 | 0 | 0 | 105.8 | K219 N223 | K219-T221 VanDerWaalsContact C-N 3.34Å; K219-T221 PolarHBondContact O-N 2.77Å; T221-N223 PolarHBondContact O-N 2.87Å; T221-N223 PolarHBondContact O-OD1 2.9Å | ||
| 222 | V | 55.7 | Low | 59.6 | Low | 115 Ų | 115 | 139.6 Ų | 139.6 | 70% | 0.697 | 74% | 0.736 | S | S | * | * | trans | -72.9 | 104.9 | 176.9 | 69 | 0 | 0 | 0 | 0 | 105.7 | K220 P224 | K220-V222 PolarHBondContact O-N 2.79Å; V222-P224 WeakPolarHBondContact O-CD 3.36Å; V222-P224 VanDerWaalsContact O-N 3.13Å | ||
| 223 | N | 52.4 | Low | 58 | Low | 113 Ų | 113 | 140.2 Ų | 140.2 | 60% | 0.604 | 74% | 0.742 | S | S | * | * | trans | -54.7 | 120.7 | 172.3 | -66.8 | 53.4 | 0 | 0 | 0 | 106.8 | T221 Y225 T226 | T221-N223 PolarHBondContact O-N 2.87Å; T221-N223 PolarHBondContact O-OD1 2.9Å; N223-Y225 PolarHBondContact O-N 2.78Å; N223-T226 PolarHBondContact O-N 3.29Å | ||
| 224 | P | 59.9 | Low | 56.5 | Low | 118 Ų | 118 | 142.9 Ų | 142.9 | 77% | 0.766 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | 16.8 | -172.1 | 28.4 | -35.4 | 0 | 0 | 0 | 114.2 | V222 | V222-P224 WeakPolarHBondContact O-CD 3.36Å; V222-P224 VanDerWaalsContact O-N 3.13Å |
| 225 | Y | 51.4 | Low | 54.8 | Low | 206 Ų | 206 | 144.6 Ų | 144.6 | 81% | 0.808 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.2 | 3.5 | -174.5 | -73.2 | -75.1 | 0 | 0 | 0 | 114 | N223 | N223-Y225 PolarHBondContact O-N 2.78Š|
| 226 | T | 53 | Low | 53.4 | Low | 111 Ų | 111 | 141.4 Ų | 141.4 | 68% | 0.681 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -94.1 | 121.2 | 171.5 | -168.6 | 0 | 0 | 0 | 0 | 110.7 | N223 | N223-T226 PolarHBondContact O-N 3.29Š|
| 227 | N | 51.5 | Low | 52.7 | Low | 160 Ų | 160 | 138.6 Ų | 138.6 | 86% | 0.856 | 77% | 0.771 | S | S | * | * | trans | -79.2 | 127.1 | -158 | -64.5 | -72.5 | 0 | 0 | 0 | 113.2 | ||||
| 228 | G | 53.3 | Low | 51.9 | Low | 71 Ų | 71 | 139.8 Ų | 139.8 | 73% | 0.732 | 78% | 0.778 | S | S | * | * | trans | -116.4 | -7.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | K230 | G228-K230 PolarHBondContact O-N 2.99Š| ||
| 229 | W | 51.2 | Low | 51.2 | Low | 236 Ų | 236 | 143.2 Ų | 143.2 | 89% | 0.894 | 78% | 0.782 | S | S | * | * | trans | -81.2 | 79.6 | -179.2 | -71.3 | 110.1 | 0 | 0 | 0 | 111.9 | L231 | W229-L231 PolarHBondContact O-N 2.9Š| ||
| 230 | K | 48.6 | Very low | 50.2 | Low | 193 Ų | 193 | 139.9 Ų | 139.9 | 84% | 0.839 | 78% | 0.782 | S | S | * | * | trans | -70.5 | 79.8 | 168.3 | -172.6 | -176.1 | 179.6 | -177.5 | 0 | 110 | G228 | G228-K230 PolarHBondContact O-N 2.99Š| ||
| 231 | L | 51.7 | Low | 49.8 | Very low | 146 Ų | 146 | 136.9 Ų | 136.9 | 76% | 0.764 | 78% | 0.78 | S | S | * | * | trans | -66.2 | 131.9 | 175.1 | -72.1 | 170.7 | 0 | 0 | 0 | 110.7 | W229 | W229-L231 PolarHBondContact O-N 2.9Š| ||
| 232 | N | 46.1 | Very low | 49 | Very low | 134 Ų | 134 | 138.6 Ų | 138.6 | 72% | 0.717 | 78% | 0.78 | S | S | * | * | trans | -75.7 | 126.9 | 169.1 | -66.7 | -31.1 | 0 | 0 | 0 | 108.7 | V234 | N232-V234 VanDerWaalsContact C-N 3.26Å; N232-V234 PolarHBondContact O-N 2.87Å | ||
| 233 | P | 54.6 | Low | 48 | Very low | 136 Ų | 136 | 141.8 Ų | 141.8 | 88% | 0.883 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -80.9 | 62.6 | -172.8 | 33.5 | -37.1 | 0 | 0 | 0 | 113 | ||
| 234 | V | 47.7 | Very low | 47.1 | Very low | 127 Ų | 127 | 147.6 Ų | 147.6 | 77% | 0.77 | 80% | 0.8 | S | S | * | * | trans | -152 | 63.4 | 169.5 | 64.9 | 0 | 0 | 0 | 0 | 113.6 | N232 | N232-V234 VanDerWaalsContact C-N 3.26Å; N232-V234 PolarHBondContact O-N 2.87Å | ||
| 235 | V | 44.9 | Very low | 46.1 | Very low | 147 Ų | 147 | 146.2 Ų | 146.2 | 89% | 0.891 | 80% | 0.799 | S | S | * | * | trans | -166.7 | 111.8 | 133.4 | -96.2 | 0 | 0 | 0 | 0 | 108 | ||||
| 236 | G | 47.4 | Very low | 45.5 | Very low | 72 Ų | 72 | 143 Ų | 143 | 74% | 0.742 | 80% | 0.8 | S | S | * | * | trans | -85.6 | 168.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 237 | A | 52.6 | Low | 44.8 | Very low | 104 Ų | 104 | 143.5 Ų | 143.5 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | trans | 58.5 | 75 | 168.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 238 | V | 49.6 | Very low | 44 | Very low | 140 Ų | 140 | 139 Ų | 139 | 85% | 0.848 | 80% | 0.796 | S | S | * | * | -168.8 | 118.1 | 113.2 | 145.2 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 239 | Y | 38.9 | Very low | 42.9 | Very low | 204 Ų | 204 | 145.6 Ų | 145.6 | 80% | 0.8 | 81% | 0.805 | S | S | * | * | trans | 149.7 | 98.6 | 135.2 | -150.7 | -95.8 | 0 | 0 | 0 | 110.7 | ||||
| 240 | S | 36 | Very low | 43.3 | Very low | 110 Ų | 110 | 139.2 Ų | 139.2 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | trans | -97.6 | 121.8 | 166.7 | -57.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 241 | P | 45.1 | Very low | 42.6 | Very low | 112 Ų | 112 | 141.3 Ų | 141.3 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | trans | -91.7 | 96.1 | 156.4 | 25.3 | -11 | 0 | 0 | 0 | 108.1 | ||||
| 242 | E | 36.7 | Very low | 42.6 | Very low | 156 Ų | 156 | 140.1 Ų | 140.1 | 73% | 0.729 | 80% | 0.799 | S | S | * | * | trans | -66.8 | 166.3 | 171.2 | -107 | -61.7 | 140.1 | 0 | 0 | 111.8 | ||||
| 243 | F | 34.9 | Very low | 42.2 | Very low | 182 Ų | 182 | 138.4 Ų | 138.4 | 80% | 0.798 | 80% | 0.804 | S | S | * | * | trans | -64.9 | 158.7 | -162.6 | -80.9 | -105.7 | 0 | 0 | 0 | 115.3 | A245 | F243-A245 PolarHBondContact O-N 3.45Å; F243-A245 VanDerWaalsContact O-N 3.1Å | ||
| 244 | Y | 34.6 | Very low | 41.4 | Very low | 234 Ų | 234 | 136 Ų | 136 | 92% | 0.918 | 80% | 0.795 | S | S | * | * | trans | -52.5 | 112.1 | 164.5 | -94.9 | -112.1 | 0 | 0 | 0 | 111 | ||||
| 245 | A | 38 | Very low | 40.8 | Very low | 90 Ų | 90 | 136.6 Ų | 136.6 | 74% | 0.744 | 80% | 0.8 | S | S | * | * | trans | -104.7 | 124.6 | 161.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | F243 P247 | F243-A245 PolarHBondContact O-N 3.45Å; F243-A245 VanDerWaalsContact O-N 3.1Å; A245-P247 WeakPolarHBondContact O-CD 3.37Å | ||
| 246 | V | 39.3 | Very low | 40.4 | Very low | 138 Ų | 138 | 134.4 Ų | 134.4 | 84% | 0.836 | 80% | 0.797 | S | S | * | * | trans | -74.3 | 121.5 | -175.4 | 176.8 | 0 | 0 | 0 | 0 | 110.7 | G248 | V246-G248 PolarHBondContact O-N 3.04Š| ||
| 247 | P | 38.6 | Very low | 40 | Very low | 122 Ų | 122 | 136 Ų | 136 | 79% | 0.792 | 80% | 0.803 | S | S | * | * | trans | -89.1 | 107 | 175.3 | 33.2 | -29.8 | 0 | 0 | 0 | 111.1 | A245 | A245-P247 WeakPolarHBondContact O-CD 3.37Š| ||
| 248 | G | 34.3 | Very low | 39.2 | Very low | 64 Ų | 64 | 135.6 Ų | 135.6 | 66% | 0.66 | 80% | 0.8 | S | S | * | * | trans | -92.2 | 110.7 | 169 | 0 | 0 | 0 | 0 | 0 | 112.2 | V246 | V246-G248 PolarHBondContact O-N 3.04Š| ||
| 249 | F | 30.9 | Very low | 38.7 | Very low | 210 Ų | 210 | 133.7 Ų | 133.7 | 92% | 0.921 | 80% | 0.799 | S | S | * | * | S | Bend | trans | 66.1 | 163.1 | 165 | -72.6 | -76.8 | 0 | 0 | 0 | 116.7 | ||
| 250 | P | 57.8 | Low | 38.5 | Very low | 102 Ų | 102 | 135.4 Ų | 135.4 | 66% | 0.662 | 81% | 0.805 | S | S | * | * | trans | -120.6 | 161.6 | -132.5 | 42.4 | -34.9 | 0 | 0 | 0 | 116.3 | ||||
| 251 | Y | 35.3 | Very low | 38.5 | Very low | 237 Ų | 237 | 141.8 Ų | 141.8 | 93% | 0.929 | 81% | 0.813 | S | S | * | * | trans | -146.6 | 146.9 | 147 | -91.1 | -73.8 | 0 | 0 | 0 | 111.2 | ||||
| 252 | P | 51.8 | Low | 37.9 | Very low | 121 Ų | 121 | 139.3 Ų | 139.3 | 79% | 0.786 | 81% | 0.808 | S | S | * | * | trans | -106.4 | 133.2 | -177.9 | 36.8 | -29.5 | 0 | 0 | 0 | 114.5 | ||||
| 253 | A | 37.6 | Very low | 37.8 | Very low | 98 Ų | 98 | 136.8 Ų | 136.8 | 81% | 0.81 | 81% | 0.813 | S | S | * | * | trans | -156.2 | 113.7 | 160.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 254 | A | 37.3 | Very low | 38 | Very low | 86 Ų | 86 | 136.1 Ų | 136.1 | 71% | 0.711 | 81% | 0.812 | S | S | * | * | 90.8 | 88.2 | 77.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 255 | T | 35.8 | Very low | 38.2 | Very low | 140 Ų | 140 | 132.2 Ų | 132.2 | 86% | 0.859 | 81% | 0.806 | S | S | * | * | trans | 44.9 | 106.6 | 138.8 | 57.7 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 256 | A | 36.8 | Very low | 38.5 | Very low | 100 Ų | 100 | 138.8 Ų | 138.8 | 83% | 0.826 | 81% | 0.812 | S | S | * | * | -175.1 | 132.6 | 123.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 257 | A | 37.4 | Very low | 38 | Very low | 106 Ų | 106 | 135.8 Ų | 135.8 | 88% | 0.876 | 81% | 0.809 | S | S | * | * | cis | 81.5 | 60.4 | 30.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 258 | A | 37.5 | Very low | 38.3 | Very low | 96 Ų | 96 | 142.4 Ų | 142.4 | 79% | 0.793 | 82% | 0.818 | S | S | * | * | trans | -148.2 | 101.5 | 156.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 259 | A | 38.4 | Very low | 38.3 | Very low | 100 Ų | 100 | 143 Ų | 143 | 83% | 0.826 | 83% | 0.825 | S | S | * | * | 87.6 | 105.6 | 76.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 260 | Y | 33.9 | Very low | 38.9 | Very low | 240 Ų | 240 | 144.8 Ų | 144.8 | 94% | 0.941 | 83% | 0.825 | S | S | * | * | trans | -56.8 | 139.3 | 172 | -93.4 | -115.8 | 0 | 0 | 0 | 111.6 | ||||
| 261 | R | 36.1 | Very low | 38 | Very low | 244 Ų | 244 | 145.4 Ų | 145.4 | 92% | 0.921 | 83% | 0.827 | S | S | * | * | trans | -123.5 | 102.2 | 151.4 | -174 | -175.2 | -67.8 | -122.7 | 3.6 | 108.7 | ||||
| 262 | G | 33.3 | Very low | 38.4 | Very low | 60 Ų | 60 | 140.7 Ų | 140.7 | 62% | 0.619 | 82% | 0.823 | S | S | * | * | trans | -68.4 | 143.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 263 | A | 34.4 | Very low | 37.7 | Very low | 102 Ų | 102 | 144 Ų | 144 | 84% | 0.843 | 82% | 0.821 | S | S | * | * | trans | -121.1 | 132.8 | 166.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 264 | H | 38.8 | Very low | 37.7 | Very low | 169 Ų | 169 | 145.9 Ų | 145.9 | 78% | 0.782 | 82% | 0.817 | S | S | * | * | trans | -95.5 | 169.2 | -173.1 | -66.2 | -102.3 | 0 | 0 | 0 | 112.3 | ||||
| 265 | L | 39.3 | Very low | 38 | Very low | 151 Ų | 151 | 148.2 Ų | 148.2 | 79% | 0.791 | 82% | 0.823 | S | S | * | * | trans | 74.2 | 154.5 | 168 | -39.9 | 179.3 | 0 | 0 | 0 | 113.6 | ||||
| 266 | R | 43.5 | Very low | 38.3 | Very low | 228 Ų | 228 | 150.7 Ų | 150.7 | 86% | 0.86 | 82% | 0.822 | S | S | * | * | cis | -146.8 | 124.8 | -0.5 | -144.8 | 169.9 | -167.9 | 153.8 | 1.4 | 108.3 | ||||
| 267 | G | 30 | Very low | 38.4 | Very low | 75 Ų | 75 | 157.1 Ų | 157.1 | 77% | 0.773 | 83% | 0.825 | S | S | * | * | trans | -90.4 | 164.6 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 268 | R | 43.7 | Very low | 38.6 | Very low | 261 Ų | 261 | 156.8 Ų | 156.8 | 99% | 0.985 | 82% | 0.823 | S | S | * | * | trans | -158.5 | 122 | 153.2 | -115.2 | -179.9 | 178.7 | -175.8 | -1 | 109.8 | ||||
| 269 | G | 35.2 | Very low | 39 | Very low | 78 Ų | 78 | 156.4 Ų | 156.4 | 80% | 0.804 | 82% | 0.819 | S | S | * | * | trans | 170.6 | 88.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 270 | R | 43 | Very low | 39.6 | Very low | 247 Ų | 247 | 156 Ų | 156 | 93% | 0.932 | 82% | 0.815 | S | S | * | * | trans | -84 | 119 | 172.2 | -68.7 | 172.7 | 98.2 | -175.6 | 7.4 | 108.7 | ||||
| 271 | T | 39.2 | Very low | 40.5 | Very low | 114 Ų | 114 | 150.1 Ų | 150.1 | 70% | 0.699 | 81% | 0.807 | S | S | * | * | trans | -122 | 131.5 | 151.8 | 41 | 0 | 0 | 0 | 0 | 107.7 | Y273 | T271-Y273 PolarHBondContact O-N 3.1Š| ||
| 272 | V | 42.6 | Very low | 41.5 | Very low | 139 Ų | 139 | 144 Ų | 144 | 84% | 0.842 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 116.1 | 178.9 | 177.2 | 0 | 0 | 0 | 0 | 107.6 | ||
| 273 | Y | 38.1 | Very low | 42.8 | Very low | 191 Ų | 191 | 146.5 Ų | 146.5 | 75% | 0.749 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -101.2 | 137.5 | 166.9 | -83.5 | -87.7 | 0 | 0 | 0 | 109.7 | T271 T275 | T271-Y273 PolarHBondContact O-N 3.1Å; Y273-T275 PolarHBondContact O-N 3.49Å |
| 274 | N | 38 | Very low | 43.4 | Very low | 137 Ų | 137 | 147.6 Ų | 147.6 | 73% | 0.733 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 118.4 | 176.8 | -103.3 | 7.3 | 0 | 0 | 0 | 110.4 | F276 | N274-F276 VanDerWaalsContact C-N 3.3Å; N274-F276 HydrophobicContact CB-CD2 4.49Å; N274-F276 PolarHBondContact O-N 3.4Å |
| 275 | T | 42.2 | Very low | 43.8 | Very low | 135 Ų | 135 | 147.2 Ų | 147.2 | 83% | 0.828 | 81% | 0.805 | S | S | * | * | trans | -78.5 | 78.6 | 175.1 | 53.8 | 0 | 0 | 0 | 0 | 110.7 | Y273 R277 | Y273-T275 PolarHBondContact O-N 3.49Å; T275-R277 PolarHBondContact O-N 3.2Å; T275-R277 VanDerWaalsContact O-N 3.08Å | ||
| 276 | F | 43.5 | Very low | 44.3 | Very low | 191 Ų | 191 | 145 Ų | 145 | 84% | 0.838 | 80% | 0.799 | S | S | * | * | trans | -62.9 | 109.2 | 156.9 | -79.4 | -74 | 0 | 0 | 0 | 108 | N274 A278 | N274-F276 VanDerWaalsContact C-N 3.3Å; N274-F276 HydrophobicContact CB-CD2 4.49Å; N274-F276 PolarHBondContact O-N 3.4Å; F276-A278 PolarHBondContact O-N 3.08Å | ||
| 277 | R | 38.9 | Very low | 44.3 | Very low | 235 Ų | 235 | 139 Ų | 139 | 89% | 0.887 | 80% | 0.799 | S | S | * | * | trans | -73.8 | 90.4 | -172.3 | -168.9 | -178.4 | -154.5 | -115.2 | 4.8 | 110 | T275 A279 | T275-R277 PolarHBondContact O-N 3.2Å; T275-R277 VanDerWaalsContact O-N 3.08Å; R277-A279 PolarHBondContact O-N 3.49Å | ||
| 278 | A | 41.8 | Very low | 44.8 | Very low | 100 Ų | 100 | 146.2 Ų | 146.2 | 83% | 0.826 | 80% | 0.804 | S | S | * | * | trans | -57.8 | 105.9 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | F276 | F276-A278 PolarHBondContact O-N 3.08Š| ||
| 279 | A | 44.7 | Very low | 44.4 | Very low | 87 Ų | 87 | 137.1 Ų | 137.1 | 72% | 0.719 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 137.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | R277 | R277-A279 PolarHBondContact O-N 3.49Š|
| 280 | A | 50.7 | Low | 44.5 | Very low | 91 Ų | 91 | 137.2 Ų | 137.2 | 75% | 0.752 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 145 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||
| 281 | P | 53 | Low | 44.4 | Very low | 117 Ų | 117 | 132.1 Ų | 132.1 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 147.3 | 173.5 | 28.4 | -34.7 | 0 | 0 | 0 | 110.7 | ||
| 282 | P | 57.2 | Low | 44.4 | Very low | 117 Ų | 117 | 133.2 Ų | 133.2 | 76% | 0.76 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 151 | 176 | 29.4 | -34.9 | 0 | 0 | 0 | 111.4 | ||
| 283 | P | 61 | Low | 44.3 | Very low | 112 Ų | 112 | 137.7 Ų | 137.7 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 150.5 | 176.3 | 30.1 | -35.3 | 0 | 0 | 0 | 111.7 | ||
| 284 | P | 48.1 | Very low | 44 | Very low | 125 Ų | 125 | 137.4 Ų | 137.4 | 81% | 0.812 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 139.1 | 176.7 | 29.2 | -34.6 | 0 | 0 | 0 | 111.6 | ||
| 285 | I | 45.3 | Very low | 43.8 | Very low | 160 Ų | 160 | 138.9 Ų | 138.9 | 82% | 0.821 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 132.1 | 176.2 | -55.8 | 174.9 | 0 | 0 | 0 | 108.7 | A287 | I285-A287 PolarHBondContact O-N 2.95Š|
| 286 | P | 50.6 | Low | 43.5 | Very low | 104 Ų | 104 | 135.2 Ų | 135.2 | 68% | 0.675 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 129.4 | 176.8 | 28.6 | -34.1 | 0 | 0 | 0 | 111.3 | Y288 | P286-Y288 PolarHBondContact O-N 2.95Š|
| 287 | A | 44.5 | Very low | 43 | Very low | 104 Ų | 104 | 135 Ų | 135 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 119.4 | 174 | 0 | 0 | 0 | 0 | 0 | 110.7 | I285 | I285-A287 PolarHBondContact O-N 2.95Š|
| 288 | Y | 39.3 | Very low | 43 | Very low | 225 Ų | 225 | 133.7 Ų | 133.7 | 88% | 0.882 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 132.5 | 167.7 | -97.5 | -98.6 | 0 | 0 | 0 | 110.2 | P286 | P286-Y288 PolarHBondContact O-N 2.95Š|
| 289 | G | 36 | Very low | 42.7 | Very low | 71 Ų | 71 | 132.2 Ų | 132.2 | 73% | 0.732 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 134.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | V291 | G289-V291 PolarHBondContact O-N 3.12Š|
| 290 | G | 36.5 | Very low | 42.2 | Very low | 80 Ų | 80 | 132.7 Ų | 132.7 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 123.3 | 172 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 291 | V | 42.2 | Very low | 41.7 | Very low | 139 Ų | 139 | 136 Ų | 136 | 84% | 0.842 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 139 | 167.3 | -72.3 | 0 | 0 | 0 | 0 | 110.1 | G289 | G289-V291 PolarHBondContact O-N 3.12Š|
| 292 | V | 37.3 | Very low | 41 | Very low | 137 Ų | 137 | 137.6 Ų | 137.6 | 83% | 0.83 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 138.2 | 176.2 | -71.2 | 0 | 0 | 0 | 0 | 111 | ||
| 293 | Y | 40.8 | Very low | 39.9 | Very low | 233 Ų | 233 | 142.9 Ų | 142.9 | 91% | 0.914 | 81% | 0.807 | S | S | * | * | trans | -137.2 | 141.9 | 153.1 | -103.5 | -85.9 | 0 | 0 | 0 | 108.8 | ||||
| 294 | Q | 31.9 | Very low | 38.7 | Very low | 186 Ų | 186 | 141.2 Ų | 141.2 | 87% | 0.869 | 81% | 0.809 | S | S | * | * | trans | -127.9 | 103.8 | -174.2 | 170.8 | -172.7 | 91.5 | 0 | 0 | 108.1 | ||||
| 295 | D | 33.3 | Very low | 37.9 | Very low | 168 Ų | 168 | 138.5 Ų | 138.5 | 90% | 0.898 | 81% | 0.805 | S | S | * | * | trans | -168.3 | 139.8 | 161.6 | -137.3 | -81.3 | 0 | 0 | 0 | 108.7 | ||||
| 296 | G | 37.3 | Very low | 37.4 | Very low | 57 Ų | 57 | 142.7 Ų | 142.7 | 59% | 0.588 | 81% | 0.812 | S | S | * | * | cis | 167.1 | 17.9 | -7 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 297 | F | 33.2 | Very low | 36.8 | Very low | 186 Ų | 186 | 141.9 Ų | 141.9 | 82% | 0.816 | 81% | 0.814 | S | S | * | * | trans | -148.3 | 130.4 | -177.6 | -134.9 | -117.3 | 0 | 0 | 0 | 115.5 | ||||
| 298 | Y | 38.8 | Very low | 36.4 | Very low | 209 Ų | 209 | 140.7 Ų | 140.7 | 82% | 0.82 | 80% | 0.804 | S | S | * | * | trans | 41.5 | 134 | 161.4 | -77.9 | -114.3 | 0 | 0 | 0 | 120.6 | ||||
| 299 | G | 34.4 | Very low | 35.9 | Very low | 68 Ų | 68 | 141 Ų | 141 | 70% | 0.701 | 81% | 0.805 | S | S | * | * | cis | 148.2 | 129.4 | -5.8 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 300 | A | 34.1 | Very low | 35.9 | Very low | 97 Ų | 97 | 148.6 Ų | 148.6 | 80% | 0.802 | 81% | 0.812 | S | S | * | * | trans | 65.7 | 148.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 301 | D | 40.3 | Very low | 35.6 | Very low | 160 Ų | 160 | 156.1 Ų | 156.1 | 86% | 0.856 | 82% | 0.817 | S | S | * | * | cis | -133.4 | 171.4 | 6.1 | -100.2 | -50.9 | 0 | 0 | 0 | 113.3 | ||||
| 302 | I | 38.1 | Very low | 35.3 | Very low | 151 Ų | 151 | 153.6 Ų | 153.6 | 77% | 0.774 | 81% | 0.811 | S | S | * | * | trans | -112.1 | 122.1 | -169.1 | -62.2 | -69 | 0 | 0 | 0 | 113.4 | ||||
| 303 | Y | 35.7 | Very low | 35.2 | Very low | 229 Ų | 229 | 156 Ų | 156 | 90% | 0.898 | 81% | 0.813 | S | S | * | * | trans | 164.9 | 122.8 | 138.3 | -110.6 | -92.1 | 0 | 0 | 0 | 106.4 | ||||
| 304 | G | 34.4 | Very low | 35.2 | Very low | 76 Ų | 76 | 150.8 Ų | 150.8 | 78% | 0.784 | 81% | 0.808 | S | S | * | * | cis | 121.5 | 117.2 | 18.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 305 | G | 32.8 | Very low | 35.3 | Very low | 69 Ų | 69 | 148.4 Ų | 148.4 | 71% | 0.711 | 81% | 0.806 | S | S | * | * | cis | 159 | 109 | -1.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | A307 | G305-A307 PolarHBondContact O-N 3.17Š| ||
| 306 | Y | 34.1 | Very low | 35.6 | Very low | 247 Ų | 247 | 146.6 Ų | 146.6 | 97% | 0.969 | 80% | 0.803 | S | S | * | * | trans | -62.3 | 107.9 | -169.9 | -77.5 | -90.3 | 0 | 0 | 0 | 113.2 | A308 | Y306-A308 PolarHBondContact O-N 2.97Š| ||
| 307 | A | 37.9 | Very low | 35.6 | Very low | 87 Ų | 87 | 148.6 Ų | 148.6 | 72% | 0.719 | 81% | 0.814 | S | S | * | * | trans | -83 | 91.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | G305 Y309 | G305-A307 PolarHBondContact O-N 3.17Å; A307-Y309 PolarHBondContact O-N 3.05Å; A307-Y309 VanDerWaalsContact O-N 3.12Å | ||
| 308 | A | 35 | Very low | 35.6 | Very low | 79 Ų | 79 | 146.9 Ų | 146.9 | 65% | 0.653 | 82% | 0.82 | S | S | * | * | trans | -65.5 | 109 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y306 R310 | Y306-A308 PolarHBondContact O-N 2.97Å; A308-R310 VanDerWaalsContact O-CG 3.27Å; A308-R310 WeakPolarHBondContact O-CG 3.42Å | ||
| 309 | Y | 30.1 | Very low | 35.2 | Very low | 231 Ų | 231 | 141.8 Ų | 141.8 | 91% | 0.906 | 82% | 0.82 | S | S | * | * | trans | -69.1 | 135.8 | 171.6 | -100.7 | -92.8 | 0 | 0 | 0 | 110.7 | A307 | A307-Y309 PolarHBondContact O-N 3.05Å; A307-Y309 VanDerWaalsContact O-N 3.12Å | ||
| 310 | R | 35.4 | Very low | 35.3 | Very low | 231 Ų | 231 | 143.6 Ų | 143.6 | 87% | 0.872 | 83% | 0.829 | S | S | * | * | trans | -111.9 | 107.8 | -163.5 | -47.4 | -178.6 | -165 | -178.8 | 5.1 | 108.5 | A308 A312 | A308-R310 VanDerWaalsContact O-CG 3.27Å; A308-R310 WeakPolarHBondContact O-CG 3.42Å; R310-A312 PolarHBondContact O-N 3.22Å | ||
| 311 | Y | 30.6 | Very low | 35.1 | Very low | 238 Ų | 238 | 144.1 Ų | 144.1 | 93% | 0.933 | 83% | 0.833 | S | S | * | * | trans | -68.7 | 111.4 | 177.9 | -116.1 | -89.4 | 0 | 0 | 0 | 110 | ||||
| 312 | A | 36.8 | Very low | 34.5 | Very low | 87 Ų | 87 | 146.9 Ų | 146.9 | 72% | 0.719 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 127.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | R310 | R310-A312 PolarHBondContact O-N 3.22Š|
| 313 | Q | 35.3 | Very low | 34.2 | Very low | 187 Ų | 187 | 144.4 Ų | 144.4 | 87% | 0.874 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 134.2 | 169.3 | -70.1 | -170.9 | -12 | 0 | 0 | 110.2 | ||
| 314 | P | 39.3 | Very low | 34 | Very low | 124 Ų | 124 | 139.7 Ų | 139.7 | 81% | 0.805 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 137.7 | 169.9 | 31.3 | -32.7 | 0 | 0 | 0 | 111.1 | ||
| 315 | T | 34.2 | Very low | 33.9 | Very low | 135 Ų | 135 | 145.3 Ų | 145.3 | 83% | 0.828 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 149 | 172.1 | 22.1 | 0 | 0 | 0 | 0 | 112 | ||
| 316 | P | 41 | Very low | 34.3 | Very low | 130 Ų | 130 | 148.7 Ų | 148.7 | 84% | 0.844 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 130.8 | 174.7 | 31.2 | -33.3 | 0 | 0 | 0 | 111.2 | ||
| 317 | A | 35.3 | Very low | 34.4 | Very low | 99 Ų | 99 | 145.9 Ų | 145.9 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | trans | -122.1 | 128.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 318 | T | 33.8 | Very low | 34.5 | Very low | 151 Ų | 151 | 149.9 Ų | 149.9 | 93% | 0.926 | 82% | 0.816 | S | S | * | * | trans | -95.9 | 109.1 | -176.5 | -54.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 319 | A | 31.5 | Very low | 34.5 | Very low | 101 Ų | 101 | 152 Ų | 152 | 84% | 0.835 | 82% | 0.821 | S | S | * | * | trans | -150.1 | 151.5 | 164.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 320 | A | 35.7 | Very low | 34.7 | Very low | 107 Ų | 107 | 150 Ų | 150 | 88% | 0.884 | 82% | 0.817 | S | S | * | * | trans | -100.5 | 147 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 321 | A | 29.5 | Very low | 34.6 | Very low | 108 Ų | 108 | 145.1 Ų | 145.1 | 89% | 0.893 | 81% | 0.813 | S | S | * | * | trans | -147.6 | 165.4 | 163.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 322 | Y | 27.6 | Very low | 34.8 | Very low | 218 Ų | 218 | 138.6 Ų | 138.6 | 86% | 0.855 | 81% | 0.808 | S | S | * | * | trans | -129.2 | 125.4 | -161.2 | -163.9 | -100.4 | 0 | 0 | 0 | 112.3 | ||||
| 323 | S | 32.6 | Very low | 34.9 | Very low | 98 Ų | 98 | 139.1 Ų | 139.1 | 69% | 0.685 | 81% | 0.813 | S | S | * | * | trans | 68.1 | 162.1 | 155.1 | -62.2 | 0 | 0 | 0 | 0 | 122 | ||||
| 324 | D | 30.7 | Very low | 34.8 | Very low | 131 Ų | 131 | 137.9 Ų | 137.9 | 70% | 0.701 | 81% | 0.812 | S | S | * | * | trans | 84.6 | 104.6 | 158.6 | -125.1 | -134.3 | 0 | 0 | 0 | 121.3 | ||||
| 325 | R | 32.1 | Very low | 34.6 | Very low | 193 Ų | 193 | 140.3 Ų | 140.3 | 73% | 0.728 | 81% | 0.813 | S | S | * | * | 72.2 | 117.6 | 116.3 | -170 | 177.3 | -169.1 | 166.5 | 1.2 | 121.1 | |||||
| 326 | N | 42.3 | Very low | 34.6 | Very low | 141 Ų | 141 | 141.3 Ų | 141.3 | 75% | 0.754 | 81% | 0.811 | S | S | * | * | trans | 39.7 | 87.8 | 146.5 | -57.6 | 11.8 | 0 | 0 | 0 | 117.9 | ||||
| 327 | Q | 36.6 | Very low | 34.1 | Very low | 187 Ų | 187 | 140.3 Ų | 140.3 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | trans | -120 | 120.6 | 146.2 | -73.5 | -167.1 | -66.9 | 0 | 0 | 110.6 | ||||
| 328 | F | 39.6 | Very low | 33.8 | Very low | 172 Ų | 172 | 141 Ų | 141 | 75% | 0.754 | 81% | 0.805 | S | S | * | * | trans | -74.5 | 134.5 | 160.2 | -69.8 | -99.7 | 0 | 0 | 0 | 107.9 | F330 | F328-F330 HydrophobicContact CB-CD2 4.47Å; F328-F330 HydrophobicContact CB-CE2 4.2Å | ||
| 329 | V | 34.7 | Very low | 33.7 | Very low | 124 Ų | 124 | 141.2 Ų | 141.2 | 75% | 0.752 | 80% | 0.8 | S | S | * | * | trans | -113.2 | 105.1 | 168.3 | -176.5 | 0 | 0 | 0 | 0 | 107.8 | V331 | V329-V331 HydrophobicContact CG1-CG2 4.23Š| ||
| 330 | F | 33.8 | Very low | 33.7 | Very low | 188 Ų | 188 | 142.2 Ų | 142.2 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | trans | -79.1 | 117.1 | 165.9 | -70.8 | -92.8 | 0 | 0 | 0 | 108.1 | F328 | F328-F330 HydrophobicContact CB-CD2 4.47Å; F328-F330 HydrophobicContact CB-CE2 4.2Å | ||
| 331 | V | 34 | Very low | 33.5 | Very low | 128 Ų | 128 | 142.4 Ų | 142.4 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | trans | -98.6 | 107.5 | 161.6 | 179.1 | 0 | 0 | 0 | 0 | 106.6 | V329 | V329-V331 HydrophobicContact CG1-CG2 4.23Š| ||
| 332 | A | 34.2 | Very low | 33.7 | Very low | 101 Ų | 101 | 142 Ų | 142 | 84% | 0.835 | 79% | 0.788 | S | S | * | * | trans | -73 | 133.1 | 166.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 333 | A | 38.7 | Very low | 33.9 | Very low | 99 Ų | 99 | 138.1 Ų | 138.1 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | trans | -122 | 124.4 | 164.6 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 334 | D | 33.3 | Very low | 34.3 | Very low | 161 Ų | 161 | 139.7 Ų | 139.7 | 86% | 0.861 | 79% | 0.792 | S | S | * | * | trans | -79.9 | 163.9 | -169 | -161.8 | -150 | 0 | 0 | 0 | 112.5 | ||||
| 335 | E | 35.2 | Very low | 34.3 | Very low | 175 Ų | 175 | 141 Ų | 141 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | trans | -73.9 | 137.1 | -176.6 | -61.6 | -163.5 | 157 | 0 | 0 | 113.1 | ||||
| 336 | I | 34.4 | Very low | 34.5 | Very low | 156 Ų | 156 | 140.2 Ų | 140.2 | 80% | 0.8 | 80% | 0.803 | S | S | * | * | trans | -130.5 | 107.2 | 159.4 | -58.2 | -177.8 | 0 | 0 | 0 | 109 | ||||
| 337 | S | 30.3 | Very low | 34.2 | Very low | 109 Ų | 109 | 142.9 Ų | 142.9 | 76% | 0.762 | 81% | 0.809 | S | S | * | * | trans | -102.4 | 111.6 | 172.3 | -178.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 338 | C | 29.3 | Very low | 34.3 | Very low | 114 Ų | 114 | 142.6 Ų | 142.6 | 77% | 0.77 | 81% | 0.81 | S | S | * | * | trans | -137.9 | 116.2 | 171.9 | -74 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 339 | N | 30.8 | Very low | 34.3 | Very low | 154 Ų | 154 | 142.1 Ų | 142.1 | 82% | 0.824 | 81% | 0.814 | S | S | * | * | trans | -116 | 166.3 | 177 | -109.4 | -18.7 | 0 | 0 | 0 | 110.7 | ||||
| 340 | T | 31.6 | Very low | 34.7 | Very low | 123 Ų | 123 | 141.9 Ų | 141.9 | 76% | 0.755 | 82% | 0.815 | S | S | * | * | trans | 94.5 | 86.9 | 158.4 | -46.8 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 341 | S | 32.6 | Very low | 35.2 | Very low | 110 Ų | 110 | 138.7 Ų | 138.7 | 77% | 0.769 | 81% | 0.811 | S | S | * | * | 68.6 | 108.6 | 120.2 | -50.6 | 0 | 0 | 0 | 0 | 124.2 | |||||
| 342 | A | 33.7 | Very low | 35.7 | Very low | 100 Ų | 100 | 138.8 Ų | 138.8 | 83% | 0.826 | 81% | 0.814 | S | S | * | * | -158.4 | 128.9 | 127.1 | 0 | 0 | 0 | 0 | 0 | 106.6 | |||||
| 343 | V | 32.1 | Very low | 36.1 | Very low | 136 Ų | 136 | 140.1 Ų | 140.1 | 82% | 0.824 | 81% | 0.812 | S | S | * | * | cis | 83 | 70.5 | 37.6 | -169.3 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 344 | T | 40.2 | Very low | 36.2 | Very low | 132 Ų | 132 | 141.5 Ų | 141.5 | 81% | 0.81 | 81% | 0.811 | S | S | * | * | trans | -151.9 | 106.3 | 143.4 | 47.6 | 0 | 0 | 0 | 0 | 104.4 | ||||
| 345 | D | 31.8 | Very low | 36.6 | Very low | 158 Ų | 158 | 140 Ų | 140 | 85% | 0.845 | 81% | 0.807 | S | S | * | * | 71.6 | 162.3 | 75.8 | -146.4 | -88.2 | 0 | 0 | 0 | 113.1 | |||||
| 346 | E | 35.1 | Very low | 37 | Very low | 176 Ų | 176 | 139.2 Ų | 139.2 | 82% | 0.822 | 80% | 0.804 | S | S | * | * | trans | 61.1 | 78.5 | -162.7 | -71.5 | -88.8 | 67.4 | 0 | 0 | 115.4 | ||||
| 347 | F | 35.4 | Very low | 37.2 | Very low | 198 Ų | 198 | 139.3 Ų | 139.3 | 87% | 0.868 | 81% | 0.805 | S | S | * | * | trans | -130.3 | 121.9 | 157 | -144.5 | -83.6 | 0 | 0 | 0 | 111.7 | L349 | F347-L349 PolarHBondContact O-N 3.49Š| ||
| 348 | M | 38.7 | Very low | 38 | Very low | 180 Ų | 180 | 141.7 Ų | 141.7 | 89% | 0.887 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 116.3 | -167.4 | -162.1 | 173.3 | -174 | 0 | 0 | 111.9 | P350 | M348-P350 WeakPolarHBondContact O-CD 3.27Š|
| 349 | L | 40.7 | Very low | 38.9 | Very low | 162 Ų | 162 | 144.9 Ų | 144.9 | 85% | 0.848 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 126.1 | -176 | -73.3 | 169.3 | 0 | 0 | 0 | 113.5 | F347 | F347-L349 PolarHBondContact O-N 3.49Š|
| 350 | P | 43.6 | Very low | 40.1 | Very low | 119 Ų | 119 | 142.6 Ų | 142.6 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -88.5 | 131.9 | 156.6 | 33.3 | -29.7 | 0 | 0 | 0 | 110.9 | M348 | M348-P350 WeakPolarHBondContact O-CD 3.27Š|
| 351 | T | 43.1 | Very low | 41.4 | Very low | 122 Ų | 122 | 142.5 Ų | 142.5 | 75% | 0.748 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 139.7 | -177.6 | 46.2 | 0 | 0 | 0 | 0 | 113.4 | ||
| 352 | P | 44.8 | Very low | 42.7 | Very low | 129 Ų | 129 | 143.1 Ų | 143.1 | 84% | 0.838 | 81% | 0.808 | S | S | * | * | trans | -85.1 | 111.2 | 167.9 | 32.1 | -30.8 | 0 | 0 | 0 | 110.9 | ||||
| 353 | T | 41.8 | Very low | 43.4 | Very low | 129 Ų | 129 | 144.9 Ų | 144.9 | 79% | 0.791 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -90.5 | 131.8 | 175.5 | -61.8 | 0 | 0 | 0 | 0 | 111.6 | ||
| 354 | T | 41.3 | Very low | 44.5 | Very low | 129 Ų | 129 | 142.9 Ų | 142.9 | 79% | 0.791 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 131.3 | -179.7 | -68.2 | 0 | 0 | 0 | 0 | 114.1 | ||
| 355 | T | 42.2 | Very low | 45.1 | Very low | 128 Ų | 128 | 144.7 Ų | 144.7 | 79% | 0.785 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 119.7 | 166 | -56.6 | 0 | 0 | 0 | 0 | 110.8 | ||
| 356 | H | 42.9 | Very low | 45.7 | Very low | 160 Ų | 160 | 143.3 Ų | 143.3 | 74% | 0.741 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 116.9 | 174.3 | -171.5 | -78.5 | 0 | 0 | 0 | 110.5 | L358 | H356-L358 PolarHBondContact O-N 3.46Š|
| 357 | L | 40.3 | Very low | 47 | Very low | 157 Ų | 157 | 144 Ų | 144 | 82% | 0.822 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 126.4 | 174.8 | -76.9 | 167.2 | 0 | 0 | 0 | 110.4 | ||
| 358 | L | 45.2 | Very low | 47.6 | Very low | 160 Ų | 160 | 141.3 Ų | 141.3 | 84% | 0.838 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -94.7 | 118.5 | 170.4 | -136.9 | 76.3 | 0 | 0 | 0 | 109.4 | H356 | H356-L358 PolarHBondContact O-N 3.46Š|
| 359 | Q | 49.6 | Very low | 48 | Very low | 180 Ų | 180 | 139.3 Ų | 139.3 | 84% | 0.841 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -90.1 | 134.7 | -175.1 | -175.4 | 174 | -28.3 | 0 | 0 | 110.7 | ||
| 360 | P | 56.3 | Low | 48.5 | Very low | 106 Ų | 106 | 138 Ų | 138 | 69% | 0.688 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 149.7 | 177.4 | 30 | -34.9 | 0 | 0 | 0 | 111.9 | ||
| 361 | P | 58.4 | Low | 48.7 | Very low | 121 Ų | 121 | 139.1 Ų | 139.1 | 79% | 0.786 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 143.9 | -179.6 | 31 | -35.1 | 0 | 0 | 0 | 112.2 | ||
| 362 | P | 58.9 | Low | 49.1 | Very low | 123 Ų | 123 | 140.2 Ų | 140.2 | 80% | 0.799 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 138 | 175.8 | 31.6 | -33.9 | 0 | 0 | 0 | 112.2 | A364 | P362-A364 PolarHBondContact O-N 3.48Š|
| 363 | T | 50.1 | Low | 49.4 | Very low | 137 Ų | 137 | 140.9 Ų | 140.9 | 84% | 0.84 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 122.7 | 172.8 | -50.6 | 0 | 0 | 0 | 0 | 110.9 | ||
| 364 | A | 55 | Low | 49.9 | Very low | 95 Ų | 95 | 141.8 Ų | 141.8 | 79% | 0.785 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -83.8 | 134.3 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | P362 | P362-A364 PolarHBondContact O-N 3.48Š|
| 365 | L | 52.9 | Low | 50.6 | Low | 169 Ų | 169 | 142.8 Ų | 142.8 | 89% | 0.885 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -98.3 | 150.6 | 170.7 | -91.4 | 165.4 | 0 | 0 | 0 | 110.8 | ||
| 366 | V | 43 | Very low | 51.3 | Low | 130 Ų | 130 | 144 Ų | 144 | 79% | 0.788 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 144.4 | -179.7 | 179 | 0 | 0 | 0 | 0 | 110.2 | ||
| 367 | P | 62.8 | Low | 52.1 | Low | 190 Ų | 190 | 142.5 Ų | 142.5 | 100% | 1.234 | 85% | 0.846 | S | S | * | * | -121.4 | 0 | 120.1 | 35.9 | -32.6 | 0 | 0 | 0 | 112.9 |
Retrieved 367 of 367 residues in 85.2 ms
(Link to these results)