| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 37.2 | Very low | 33.9 | Very low | 244 Ų | 244 | 156.8 Ų | 156.8 | 100% | 1.202 | 80% | 0.799 | S | S | * | * | 0 | 113.4 | 0 | -67.7 | 178.8 | -162.5 | 0 | 0 | 106.5 | |||||
| 2 | K | 39 | Very low | 33.7 | Very low | 186 Ų | 186 | 158.2 Ų | 158.2 | 81% | 0.809 | 80% | 0.796 | S | S | * | * | cis | -147.3 | 124.3 | 13 | -67.8 | 162.3 | 172 | 174.7 | 0 | 104.1 | ||||
| 3 | T | 31.7 | Very low | 33.3 | Very low | 118 Ų | 118 | 157.2 Ų | 157.2 | 72% | 0.724 | 79% | 0.792 | S | S | * | * | 47.4 | 105.8 | 68 | 60 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 4 | F | 34.6 | Very low | 33.1 | Very low | 203 Ų | 203 | 160.3 Ų | 160.3 | 89% | 0.89 | 80% | 0.798 | S | S | * | * | trans | -166.6 | 101.9 | 142.6 | -85.8 | -73.6 | 0 | 0 | 0 | 104.1 | ||||
| 5 | V | 33.4 | Very low | 32.8 | Very low | 122 Ų | 122 | 160.6 Ų | 160.6 | 74% | 0.739 | 80% | 0.796 | S | S | * | * | 60.6 | 99.1 | 61.3 | -172.7 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 6 | N | 31 | Very low | 32.8 | Very low | 131 Ų | 131 | 157.8 Ų | 157.8 | 70% | 0.701 | 80% | 0.797 | S | S | * | * | trans | 23.9 | 132.1 | 139.9 | -67.5 | -6.4 | 0 | 0 | 0 | 120.5 | ||||
| 7 | I | 36.4 | Very low | 32.6 | Very low | 160 Ų | 160 | 158.1 Ų | 158.1 | 82% | 0.821 | 80% | 0.799 | S | S | * | * | trans | -132.2 | 121.3 | 132.3 | -64.1 | -176.8 | 0 | 0 | 0 | 109.6 | L9 | I7-L9 HydrophobicContact CG2-CD1 3.98Š| ||
| 8 | F | 31.9 | Very low | 32.6 | Very low | 180 Ų | 180 | 153.4 Ų | 153.4 | 79% | 0.789 | 80% | 0.798 | S | S | * | * | trans | -84.6 | 132.7 | 167.9 | -114 | -97.6 | 0 | 0 | 0 | 109.2 | ||||
| 9 | L | 34.9 | Very low | 32.5 | Very low | 154 Ų | 154 | 150.4 Ų | 150.4 | 81% | 0.806 | 80% | 0.797 | S | S | * | * | trans | -146.9 | 109.5 | 147.8 | -89.3 | 108.7 | 0 | 0 | 0 | 103.3 | I7 | I7-L9 HydrophobicContact CG2-CD1 3.98Š| ||
| 10 | G | 29.9 | Very low | 32.6 | Very low | 53 Ų | 53 | 147.2 Ų | 147.2 | 55% | 0.546 | 79% | 0.793 | S | S | . | * | cis | 75.5 | 89 | 45.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 11 | F | 32.6 | Very low | 32.6 | Very low | 174 Ų | 174 | 146.4 Ų | 146.4 | 76% | 0.763 | 80% | 0.796 | S | S | * | * | trans | 175.3 | 128.9 | 130 | -94 | -58.6 | 0 | 0 | 0 | 114.9 | ||||
| 12 | F | 31.6 | Very low | 32.4 | Very low | 173 Ų | 173 | 142.8 Ų | 142.8 | 76% | 0.759 | 78% | 0.779 | S | S | * | * | trans | 71.5 | 110 | 149.2 | -64.3 | -60.9 | 0 | 0 | 0 | 123 | ||||
| 13 | I | 29.2 | Very low | 32 | Very low | 146 Ų | 146 | 137.7 Ų | 137.7 | 75% | 0.749 | 77% | 0.772 | S | S | * | * | trans | -56.7 | 134.9 | 154.3 | -62.4 | 163.1 | 0 | 0 | 0 | 110.2 | E15 | I13-E15 HydrophobicContact CG2-CG 4.27Š| ||
| 14 | F | 30.4 | Very low | 31.8 | Very low | 200 Ų | 200 | 139.2 Ų | 139.2 | 88% | 0.877 | 78% | 0.776 | S | S | * | * | trans | -128.2 | 101.5 | 149.9 | -105.4 | -84.9 | 0 | 0 | 0 | 107.8 | ||||
| 15 | E | 28.8 | Very low | 31.6 | Very low | 165 Ų | 165 | 135.8 Ų | 135.8 | 77% | 0.771 | 77% | 0.772 | S | S | * | * | trans | -69.6 | 127.2 | 155.6 | -75.6 | -177.7 | 154.8 | 0 | 0 | 107.4 | I13 | I13-E15 HydrophobicContact CG2-CG 4.27Š| ||
| 16 | S | 31.5 | Very low | 31.5 | Very low | 115 Ų | 115 | 135.8 Ų | 135.8 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | trans | -115.1 | 111.4 | 163.7 | 55 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 17 | I | 30.8 | Very low | 31.4 | Very low | 163 Ų | 163 | 136.4 Ų | 136.4 | 84% | 0.836 | 77% | 0.774 | S | S | * | * | trans | -77.6 | 112.8 | 169 | -68.7 | 162.9 | 0 | 0 | 0 | 106.3 | ||||
| 18 | G | 31.9 | Very low | 31 | Very low | 75 Ų | 75 | 139.1 Ų | 139.1 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | trans | -120.6 | 104.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 19 | A | 31.2 | Very low | 30.9 | Very low | 95 Ų | 95 | 134.8 Ų | 134.8 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 140.7 | -179 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 20 | A | 33.4 | Very low | 30.8 | Very low | 87 Ų | 87 | 133.3 Ų | 133.3 | 72% | 0.719 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 148.4 | 170 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 21 | P | 33.7 | Very low | 31 | Very low | 131 Ų | 131 | 139 Ų | 139 | 85% | 0.851 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -92.1 | 132.9 | 154 | 30.6 | -23.5 | 0 | 0 | 0 | 111 | ||
| 22 | I | 31.4 | Very low | 30.9 | Very low | 167 Ų | 167 | 139.3 Ų | 139.3 | 86% | 0.856 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -97.8 | 137.9 | 172.9 | -64.9 | 165 | 0 | 0 | 0 | 108.4 | ||
| 23 | A | 30.9 | Very low | 30.9 | Very low | 79 Ų | 79 | 136.1 Ų | 136.1 | 65% | 0.653 | 79% | 0.788 | S | S | * | * | trans | 160.9 | 135 | 152.3 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 24 | D | 29.1 | Very low | 31 | Very low | 151 Ų | 151 | 136.6 Ų | 136.6 | 81% | 0.807 | 79% | 0.792 | S | S | * | * | cis | -151.9 | 130.1 | 5.9 | -86.2 | -36.9 | 0 | 0 | 0 | 108.4 | ||||
| 25 | T | 29.7 | Very low | 31.3 | Very low | 130 Ų | 130 | 134.7 Ų | 134.7 | 80% | 0.798 | 79% | 0.789 | S | S | * | * | trans | -94.7 | 111.8 | 163.6 | 27.3 | 0 | 0 | 0 | 0 | 108.6 | I27 | T25-I27 PolarHBondContact O-N 3.26Š| ||
| 26 | V | 30.5 | Very low | 31.5 | Very low | 123 Ų | 123 | 132.6 Ų | 132.6 | 75% | 0.745 | 79% | 0.79 | S | S | * | * | trans | -76.5 | 107.4 | 169.9 | 179 | 0 | 0 | 0 | 0 | 108.4 | Y28 | V26-Y28 HydrophobicContact CG1-CD2 3.93Å; V26-Y28 HydrophobicContact CG1-CE2 4.14Å | ||
| 27 | I | 28.8 | Very low | 31.7 | Very low | 144 Ų | 144 | 135.8 Ų | 135.8 | 74% | 0.738 | 80% | 0.797 | S | S | * | * | trans | -87 | 119.2 | 167.9 | -61.2 | 177.7 | 0 | 0 | 0 | 107.5 | T25 | T25-I27 PolarHBondContact O-N 3.26Š| ||
| 28 | Y | 29.6 | Very low | 31.8 | Very low | 217 Ų | 217 | 131.5 Ų | 131.5 | 85% | 0.851 | 79% | 0.793 | S | S | * | * | trans | -107.8 | 113.9 | 153.8 | -95.2 | -86 | 0 | 0 | 0 | 107.8 | V26 | V26-Y28 HydrophobicContact CG1-CD2 3.93Å; V26-Y28 HydrophobicContact CG1-CE2 4.14Å | ||
| 29 | A | 28.4 | Very low | 31.8 | Very low | 89 Ų | 89 | 137.7 Ų | 137.7 | 74% | 0.736 | 80% | 0.801 | S | S | * | * | trans | -103.7 | 129.6 | 162.6 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 30 | S | 33.2 | Very low | 32.1 | Very low | 122 Ų | 122 | 140.4 Ų | 140.4 | 85% | 0.853 | 80% | 0.802 | S | S | * | * | trans | -155 | 125.8 | 149.4 | 62.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 31 | E | 33.4 | Very low | 32.1 | Very low | 174 Ų | 174 | 142.3 Ų | 142.3 | 81% | 0.813 | 81% | 0.807 | S | S | * | * | trans | -70.1 | 156.6 | 179.7 | -84 | 175.6 | 152.2 | 0 | 0 | 115.3 | ||||
| 32 | F | 31.7 | Very low | 32.1 | Very low | 179 Ų | 179 | 144 Ų | 144 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | trans | 63.9 | 119.2 | 143.5 | -92.7 | -94.4 | 0 | 0 | 0 | 122 | ||||
| 33 | S | 30.7 | Very low | 32.5 | Very low | 106 Ų | 106 | 140.7 Ų | 140.7 | 74% | 0.741 | 79% | 0.793 | S | S | * | * | 168.2 | 138.2 | 97.9 | -67 | 0 | 0 | 0 | 0 | 113 | |||||
| 34 | D | 32.3 | Very low | 32.3 | Very low | 157 Ų | 157 | 146.8 Ų | 146.8 | 84% | 0.84 | 81% | 0.805 | S | S | * | * | trans | -66.7 | 140.2 | 169.2 | -63.6 | -59.6 | 0 | 0 | 0 | 113 | ||||
| 35 | I | 36.2 | Very low | 32.3 | Very low | 159 Ų | 159 | 145.2 Ų | 145.2 | 82% | 0.815 | 80% | 0.801 | S | S | * | * | trans | -140.6 | 134.7 | 159.4 | -58.3 | -178.3 | 0 | 0 | 0 | 109.1 | ||||
| 36 | P | 33.9 | Very low | 32.3 | Very low | 121 Ų | 121 | 149.4 Ų | 149.4 | 79% | 0.786 | 80% | 0.803 | S | S | * | * | trans | -92.9 | 168.5 | -168.3 | 34.4 | -28.2 | 0 | 0 | 0 | 115.3 | ||||
| 37 | L | 35.8 | Very low | 32.3 | Very low | 183 Ų | 183 | 147.8 Ų | 147.8 | 96% | 0.958 | 80% | 0.803 | S | S | * | * | trans | -51.6 | 141.5 | 175.4 | -97.8 | 83.7 | 0 | 0 | 0 | 114.9 | ||||
| 38 | G | 31.2 | Very low | 32.4 | Very low | 72 Ų | 72 | 149.8 Ų | 149.8 | 74% | 0.742 | 81% | 0.809 | S | S | * | * | trans | 150.2 | 95.5 | 147.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 39 | E | 32 | Very low | 32.4 | Very low | 205 Ų | 205 | 147.2 Ų | 147.2 | 96% | 0.958 | 81% | 0.81 | S | S | * | * | 158.6 | 122.8 | 128.2 | -87.9 | -177.5 | 163.7 | 0 | 0 | 112.2 | |||||
| 40 | L | 38 | Very low | 32.5 | Very low | 153 Ų | 153 | 151.2 Ų | 151.2 | 80% | 0.801 | 81% | 0.814 | S | S | * | * | trans | -79.1 | 161.7 | -178.5 | -89.8 | 156.4 | 0 | 0 | 0 | 111.5 | ||||
| 41 | P | 33.4 | Very low | 32.2 | Very low | 126 Ų | 126 | 153.4 Ų | 153.4 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | -150 | 160.7 | 58.4 | 36.9 | -14.1 | 0 | 0 | 0 | 118.7 | |||||
| 42 | Q | 33.5 | Very low | 32 | Very low | 167 Ų | 167 | 150.1 Ų | 150.1 | 78% | 0.78 | 81% | 0.807 | S | S | * | * | trans | -82.9 | -175.5 | 162 | -67.1 | -164.9 | -20.9 | 0 | 0 | 110.9 | ||||
| 43 | P | 40 | Very low | 32 | Very low | 97 Ų | 97 | 149.1 Ų | 149.1 | 63% | 0.63 | 81% | 0.809 | S | S | * | * | cis | -126.3 | 163.9 | -27.9 | 23 | -2.1 | 0 | 0 | 0 | 111.6 | ||||
| 44 | F | 27.4 | Very low | 32 | Very low | 208 Ų | 208 | 152.4 Ų | 152.4 | 91% | 0.912 | 81% | 0.813 | S | S | * | * | trans | -117.2 | 112.5 | 158 | -80.1 | -76.3 | 0 | 0 | 0 | 110.6 | ||||
| 45 | V | 29.4 | Very low | 32 | Very low | 118 Ų | 118 | 153.4 Ų | 153.4 | 72% | 0.715 | 82% | 0.818 | S | S | * | * | trans | -83.9 | 133.8 | 162.1 | 169.7 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 46 | Y | 28.8 | Very low | 31.7 | Very low | 217 Ų | 217 | 154.4 Ų | 154.4 | 85% | 0.851 | 82% | 0.819 | S | S | * | * | trans | -179.9 | 151.6 | 142 | -71.3 | -63.7 | 0 | 0 | 0 | 106.7 | ||||
| 47 | A | 30.9 | Very low | 31.7 | Very low | 90 Ų | 90 | 153 Ų | 153 | 74% | 0.744 | 82% | 0.818 | S | S | * | * | cis | -168.7 | 150.6 | -29.6 | 0 | 0 | 0 | 0 | 0 | 103.6 | ||||
| 48 | E | 29.9 | Very low | 31.4 | Very low | 186 Ų | 186 | 153.6 Ų | 153.6 | 87% | 0.869 | 82% | 0.816 | S | S | * | * | trans | -58.9 | 147 | 172.1 | -66.4 | 169.9 | 142 | 0 | 0 | 111.3 | ||||
| 49 | N | 29.5 | Very low | 31.5 | Very low | 162 Ų | 162 | 157.6 Ų | 157.6 | 87% | 0.866 | 82% | 0.818 | S | S | * | * | trans | -164.1 | 139.2 | 132.3 | -97.6 | -13.6 | 0 | 0 | 0 | 112.3 | ||||
| 50 | E | 30.9 | Very low | 31.4 | Very low | 173 Ų | 173 | 151.3 Ų | 151.3 | 81% | 0.808 | 81% | 0.809 | S | S | * | * | trans | -56.8 | 153.8 | 176.8 | -55.1 | 175.1 | 132.3 | 0 | 0 | 113.5 | ||||
| 51 | Q | 28.3 | Very low | 31.2 | Very low | 169 Ų | 169 | 150.1 Ų | 150.1 | 79% | 0.79 | 81% | 0.808 | S | S | * | * | -173.4 | 126.7 | 110.8 | -154.4 | 78.7 | 16 | 0 | 0 | 109.3 | |||||
| 52 | S | 29.2 | Very low | 31.2 | Very low | 105 Ų | 105 | 148.9 Ų | 148.9 | 73% | 0.734 | 81% | 0.808 | S | S | * | * | trans | -68.2 | 140 | 162.5 | -67.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 53 | D | 31.8 | Very low | 31.2 | Very low | 157 Ų | 157 | 148.7 Ų | 148.7 | 84% | 0.84 | 81% | 0.812 | S | S | * | * | trans | -140.7 | 123.3 | 149.6 | -94.3 | -30.3 | 0 | 0 | 0 | 110.2 | ||||
| 54 | Q | 29.6 | Very low | 30.9 | Very low | 176 Ų | 176 | 149.5 Ų | 149.5 | 82% | 0.822 | 82% | 0.817 | S | S | * | * | trans | -72.4 | 131.7 | 175.4 | -72.2 | 165.2 | -30 | 0 | 0 | 109.1 | ||||
| 55 | L | 32.3 | Very low | 30.9 | Very low | 177 Ų | 177 | 145.3 Ų | 145.3 | 93% | 0.927 | 81% | 0.814 | S | S | * | * | trans | -89.2 | 105.5 | 161.5 | -109.6 | 82.4 | 0 | 0 | 0 | 108.7 | ||||
| 56 | E | 30 | Very low | 30.8 | Very low | 181 Ų | 181 | 147.3 Ų | 147.3 | 85% | 0.846 | 82% | 0.818 | S | S | * | * | trans | -73.8 | 125.4 | 158.7 | -70 | -178.7 | 148.9 | 0 | 0 | 108.8 | ||||
| 57 | A | 33.7 | Very low | 30.9 | Very low | 92 Ų | 92 | 142.7 Ų | 142.7 | 76% | 0.76 | 81% | 0.813 | S | S | * | * | trans | -115 | 108.1 | 165.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 58 | E | 30.4 | Very low | 30.7 | Very low | 195 Ų | 195 | 147.9 Ų | 147.9 | 91% | 0.911 | 82% | 0.822 | S | S | * | * | trans | -61.2 | 126.1 | 169.9 | -67.8 | -179.8 | 143.8 | 0 | 0 | 110.5 | ||||
| 59 | I | 32.1 | Very low | 30.5 | Very low | 155 Ų | 155 | 146.7 Ų | 146.7 | 80% | 0.795 | 82% | 0.817 | S | S | * | * | trans | -123.5 | 93.4 | 160.1 | -57.6 | 177.5 | 0 | 0 | 0 | 106.9 | ||||
| 60 | G | 30.4 | Very low | 30.2 | Very low | 74 Ų | 74 | 144.5 Ų | 144.5 | 76% | 0.763 | 81% | 0.814 | S | S | * | * | trans | -81.9 | 121.3 | 165.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 61 | T | 33.2 | Very low | 30 | Very low | 128 Ų | 128 | 146.4 Ų | 146.4 | 79% | 0.785 | 82% | 0.815 | S | S | * | * | trans | -149 | 118.7 | 154.3 | 18.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 62 | A | 34.8 | Very low | 29.9 | Very low | 100 Ų | 100 | 143.7 Ų | 143.7 | 83% | 0.826 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 140.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 63 | L | 32.6 | Very low | 30 | Very low | 163 Ų | 163 | 144.2 Ų | 144.2 | 85% | 0.853 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -76 | 133 | 167.1 | -110 | 78.1 | 0 | 0 | 0 | 110.1 | ||
| 64 | P | 33.3 | Very low | 30.1 | Very low | 113 Ų | 113 | 140.8 Ų | 140.8 | 73% | 0.734 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 132 | 164.8 | 30.8 | -29 | 0 | 0 | 0 | 110.5 | I66 | P64-I66 PolarHBondContact O-N 2.87Š|
| 65 | S | 27.3 | Very low | 30.2 | Very low | 121 Ų | 121 | 138.4 Ų | 138.4 | 85% | 0.846 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 121.6 | 171.8 | -50.1 | 0 | 0 | 0 | 0 | 110.3 | ||
| 66 | I | 28.6 | Very low | 30.1 | Very low | 159 Ų | 159 | 138.2 Ų | 138.2 | 82% | 0.815 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -93.9 | 118.7 | 169.4 | -65.3 | 174.9 | 0 | 0 | 0 | 108 | P64 | P64-I66 PolarHBondContact O-N 2.87Š|
| 67 | T | 29.3 | Very low | 30.1 | Very low | 121 Ų | 121 | 136.1 Ų | 136.1 | 74% | 0.742 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 127.8 | 172.9 | 38.4 | 0 | 0 | 0 | 0 | 111.6 | E69 | T67-E69 PolarHBondContact O-N 2.69Š|
| 68 | Q | 27.5 | Very low | 29.9 | Very low | 199 Ų | 199 | 140.7 Ų | 140.7 | 93% | 0.93 | 82% | 0.816 | S | S | * | * | trans | -66.6 | 112.8 | 165.8 | -79.1 | 176.4 | -50.1 | 0 | 0 | 109.3 | ||||
| 69 | E | 26.3 | Very low | 29.9 | Very low | 161 Ų | 161 | 140.3 Ų | 140.3 | 75% | 0.752 | 81% | 0.814 | S | S | * | * | trans | -91.5 | 118.4 | 160.7 | -78.8 | -170.6 | 166.6 | 0 | 0 | 109.6 | T67 Y71 | T67-E69 PolarHBondContact O-N 2.69Å; E69-Y71 PolarHBondContact O-N 2.91Å | ||
| 70 | S | 23.3 | Very low | 30.1 | Very low | 115 Ų | 115 | 138.6 Ų | 138.6 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | trans | -70 | 114.9 | 171 | 54.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 71 | Y | 26 | Very low | 30 | Very low | 213 Ų | 213 | 144 Ų | 144 | 84% | 0.835 | 82% | 0.819 | S | S | * | * | trans | -99.3 | 109.6 | 157.6 | -89.2 | -88.2 | 0 | 0 | 0 | 109.3 | E69 | E69-Y71 PolarHBondContact O-N 2.91Š| ||
| 72 | S | 26.1 | Very low | 30 | Very low | 112 Ų | 112 | 147.2 Ų | 147.2 | 78% | 0.783 | 83% | 0.825 | S | S | * | * | trans | -78.1 | 127.4 | 167.7 | 175.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 73 | S | 31.9 | Very low | 29.8 | Very low | 117 Ų | 117 | 151.7 Ų | 151.7 | 82% | 0.818 | 83% | 0.829 | S | S | * | * | trans | -126 | 115.1 | 159.1 | 56 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 74 | A | 33.2 | Very low | 29.8 | Very low | 85 Ų | 85 | 148.7 Ų | 148.7 | 70% | 0.702 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 162.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 75 | P | 32.1 | Very low | 29.7 | Very low | 126 Ų | 126 | 148.9 Ų | 148.9 | 82% | 0.818 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -87.4 | 148 | -156.6 | 32.2 | -30.1 | 0 | 0 | 0 | 113.8 | ||
| 76 | L | 29.6 | Very low | 30.1 | Very low | 173 Ų | 173 | 148.8 Ų | 148.8 | 91% | 0.906 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -94.3 | 131.6 | 166.2 | -81.5 | 158.2 | 0 | 0 | 0 | 109.4 | ||
| 77 | T | 30.1 | Very low | 30.5 | Very low | 137 Ų | 137 | 147.1 Ų | 147.1 | 84% | 0.84 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 133.8 | -178.6 | 28.3 | 0 | 0 | 0 | 0 | 115.2 | ||
| 78 | E | 29.5 | Very low | 30.8 | Very low | 187 Ų | 187 | 150.7 Ų | 150.7 | 87% | 0.874 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 141.2 | 158.5 | -69 | 178.8 | 158.6 | 0 | 0 | 110.2 | ||
| 79 | E | 31.1 | Very low | 31 | Very low | 187 Ų | 187 | 149.1 Ų | 149.1 | 87% | 0.874 | 83% | 0.828 | S | S | * | * | trans | -173.8 | 160.9 | 144.7 | -76.8 | -143.4 | 164.3 | 0 | 0 | 108.1 | ||||
| 80 | P | 35.2 | Very low | 31.4 | Very low | 120 Ų | 120 | 148.8 Ų | 148.8 | 78% | 0.779 | 83% | 0.829 | S | S | * | * | -120.4 | 178.4 | -78.8 | 26.9 | -4.4 | 0 | 0 | 0 | 113.3 | |||||
| 81 | E | 28.7 | Very low | 32 | Very low | 187 Ų | 187 | 151.3 Ų | 151.3 | 87% | 0.874 | 83% | 0.834 | S | S | * | * | trans | -58.5 | 140.4 | 179.3 | -58.1 | 174.5 | 152 | 0 | 0 | 114.6 | ||||
| 82 | E | 32.8 | Very low | 32.4 | Very low | 196 Ų | 196 | 144.5 Ų | 144.5 | 92% | 0.916 | 83% | 0.829 | S | S | * | * | trans | -128.4 | 120.3 | 153.4 | -86.5 | -162.9 | 163 | 0 | 0 | 110.3 | ||||
| 83 | E | 30.6 | Very low | 32.8 | Very low | 193 Ų | 193 | 144.8 Ų | 144.8 | 90% | 0.902 | 83% | 0.831 | S | S | * | * | trans | -71.9 | 135.4 | 169.7 | -65.8 | -166.4 | 151.5 | 0 | 0 | 111.4 | ||||
| 84 | A | 32.4 | Very low | 33.1 | Very low | 100 Ų | 100 | 144.6 Ų | 144.6 | 83% | 0.826 | 83% | 0.83 | S | S | * | * | trans | -148.7 | 98.5 | 158.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 85 | S | 31.8 | Very low | 33.1 | Very low | 118 Ų | 118 | 145.3 Ų | 145.3 | 83% | 0.825 | 84% | 0.835 | S | S | * | * | trans | 18.9 | 123.4 | 144.1 | -159.7 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 86 | T | 36.7 | Very low | 33.7 | Very low | 119 Ų | 119 | 148.8 Ų | 148.8 | 73% | 0.73 | 84% | 0.841 | S | S | * | * | trans | -49.4 | 168.2 | 167 | 56.7 | 0 | 0 | 0 | 0 | 116 | ||||
| 87 | P | 35.5 | Very low | 33.9 | Very low | 124 Ų | 124 | 143.7 Ų | 143.7 | 81% | 0.805 | 83% | 0.829 | S | S | * | * | -131.7 | 144.6 | 115 | 21.4 | -3.1 | 0 | 0 | 0 | 115.5 | |||||
| 88 | K | 35.9 | Very low | 34.7 | Very low | 196 Ų | 196 | 143.2 Ų | 143.2 | 85% | 0.852 | 83% | 0.832 | S | S | * | * | trans | -59.8 | 143.7 | 169.3 | -72.1 | 171 | 172.6 | 175.1 | 0 | 112.3 | ||||
| 89 | L | 33.2 | Very low | 35 | Very low | 165 Ų | 165 | 137.5 Ų | 137.5 | 86% | 0.864 | 82% | 0.823 | S | S | * | * | trans | -120.9 | 98.6 | 160.9 | -91 | 157.2 | 0 | 0 | 0 | 110.2 | ||||
| 90 | I | 34.2 | Very low | 35.7 | Very low | 154 Ų | 154 | 135.8 Ų | 135.8 | 79% | 0.79 | 83% | 0.825 | S | S | * | * | trans | 25.1 | 120 | 139.9 | -54.4 | 171 | 0 | 0 | 0 | 118.4 | ||||
| 91 | D | 34.8 | Very low | 36.2 | Very low | 168 Ų | 168 | 135.9 Ų | 135.9 | 90% | 0.898 | 82% | 0.818 | S | S | * | * | trans | -67 | 134.1 | 162.7 | -148.5 | -2.1 | 0 | 0 | 0 | 111 | ||||
| 92 | G | 34.6 | Very low | 37.1 | Very low | 70 Ų | 70 | 128.8 Ų | 128.8 | 72% | 0.722 | 80% | 0.796 | S | S | * | * | trans | -154.2 | 107.5 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 93 | S | 34.4 | Very low | 37.8 | Very low | 118 Ų | 118 | 122.8 Ų | 122.8 | 83% | 0.825 | 77% | 0.774 | S | S | * | * | trans | -43 | 145.6 | -179.2 | -66.5 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 94 | S | 38.1 | Very low | 38.7 | Very low | 114 Ų | 114 | 118.8 Ų | 118.8 | 80% | 0.797 | 76% | 0.755 | S | S | * | * | trans | 36.9 | 103.4 | 134.3 | -165.4 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 95 | A | 33.1 | Very low | 39.4 | Very low | 99 Ų | 99 | 115.5 Ų | 115.5 | 82% | 0.818 | 73% | 0.725 | S | S | * | * | trans | -140.7 | 112.7 | 146.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | G97 | A95-G97 PolarHBondContact O-N 2.91Å; A95-G97 VanDerWaalsContact O-N 3.11Å | ||
| 96 | Q | 46 | Very low | 40.2 | Very low | 200 Ų | 200 | 119.5 Ų | 119.5 | 94% | 0.935 | 73% | 0.73 | S | S | * | * | trans | -57.8 | 109.2 | 162.6 | -81.6 | 156.3 | -21.3 | 0 | 0 | 108.6 | ||||
| 97 | G | 33.5 | Very low | 40.6 | Very low | 65 Ų | 65 | 120.5 Ų | 120.5 | 67% | 0.67 | 73% | 0.731 | S | S | * | * | trans | -141.9 | 111.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109 | A95 G99 | A95-G97 PolarHBondContact O-N 2.91Å; A95-G97 VanDerWaalsContact O-N 3.11Å; G97-G99 PolarHBondContact O-N 3.21Å; G97-G99 VanDerWaalsContact O-N 3.07Å | ||
| 98 | S | 46.9 | Very low | 41.2 | Very low | 128 Ų | 128 | 116.6 Ų | 116.6 | 90% | 0.895 | 71% | 0.713 | S | S | * | * | trans | -45.9 | 110.6 | 177.9 | -66.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 99 | G | 35.3 | Very low | 42.2 | Very low | 67 Ų | 67 | 111.2 Ų | 111.2 | 69% | 0.691 | 69% | 0.693 | S | S | * | * | trans | -72 | 131.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | G97 L101 | G97-G99 PolarHBondContact O-N 3.21Å; G97-G99 VanDerWaalsContact O-N 3.07Å; G99-L101 PolarHBondContact O-N 3.09Å; G99-L101 VanDerWaalsContact O-N 3.11Å | ||
| 100 | V | 45.8 | Very low | 44.1 | Very low | 151 Ų | 151 | 105.5 Ų | 105.5 | 92% | 0.915 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -69.9 | 9.6 | 171.6 | 171.3 | 0 | 0 | 0 | 0 | 112.4 | ||
| 101 | L | 45.7 | Very low | 46.3 | Very low | 121 Ų | 121 | 98.4 Ų | 98.4 | 63% | 0.634 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -115.6 | 129.4 | -172.8 | -71.7 | 157.9 | 0 | 0 | 0 | 109.2 | G99 | G99-L101 PolarHBondContact O-N 3.09Å; G99-L101 VanDerWaalsContact O-N 3.11Å |
| 102 | G | 48.5 | Very low | 48.6 | Very low | 39 Ų | 39 | 93.5 Ų | 93.5 | 40% | 0.402 | 61% | 0.608 | S | S | . | * | trans | -60.8 | -178.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q104 | G102-Q104 PolarHBondContact O-N 2.91Š| ||
| 103 | P | 47.9 | Very low | 51 | Low | 70 Ų | 70 | 95.9 Ų | 95.9 | 46% | 0.455 | 60% | 0.603 | S | S | . | * | S | Bend | trans | -60.8 | 127.3 | -176.7 | 26.6 | -32.7 | 0 | 0 | 0 | 110.1 | P134 | P103-P134 HydrophobicContact CB-CB 3.87Å; P103-P134 HydrophobicContact CG-CB 3.93Å; P103-P134 WeakPolarHBondContact O-CG 3.49Å |
| 104 | Q | 47.7 | Very low | 53.4 | Low | 109 Ų | 109 | 93.8 Ų | 93.8 | 51% | 0.509 | 58% | 0.582 | S | S | . | * | P | Polyproline II helix | trans | -74.6 | 132.9 | -168.7 | -61 | -68.4 | 7.7 | 0 | 0 | 111.5 | G102 G108 | G102-Q104 PolarHBondContact O-N 2.91Å; Q104-G108 VanDerWaalsContact OE1-CA 3.24Å; Q104-G108 PolarHBondContact OE1-O 3.14Å |
| 105 | T | 48.8 | Very low | 55.9 | Low | 31 Ų | 31 | 88.5 Ų | 88.5 | 19% | 0.19 | 55% | 0.546 | C | S | . | . | P | Polyproline II helix | trans | -72.1 | 169.4 | 162.8 | 47.7 | 0 | 0 | 0 | 0 | 109.7 | D107 G108 L109 P133 P134 | T105-D107 PolarHBondContact O-N 3.46Å; T105-G108 PolarHBondContact O-N 2.76Å; T105-L109 PolarHBondContact OG1-N 3.37Å; T105-L109 PolarHBondContact OG1-O 3.33Å; T105-P133 HydrophobicContact CG2-CB 4.4Å; T105-P134 HydrophobicContact CG2-CG 3.59Å |
| 106 | H | 48.1 | Very low | 58.8 | Low | 202 Ų | 202 | 86.8 Ų | 86.8 | 94% | 0.935 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | -12.6 | 174.2 | -80 | -82 | 0 | 0 | 0 | 114.5 | ||
| 107 | D | 45.2 | Very low | 61 | Low | 140 Ų | 140 | 79.2 Ų | 79.2 | 75% | 0.749 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.4 | 8.5 | 175.1 | -62.2 | -46.1 | 0 | 0 | 0 | 114.2 | T105 L109 | T105-D107 PolarHBondContact O-N 3.46Å; D107-L109 VanDerWaalsContact C-N 3.27Å; D107-L109 HydrophobicContact CB-CD1 4.46Å; D107-L109 WeakPolarHBondContact O-CD1 3.49Å; D107-L109 PolarHBondContact O-N 3.18Å |
| 108 | G | 47.3 | Very low | 63.8 | Low | 41 Ų | 41 | 81.3 Ų | 81.3 | 42% | 0.423 | 49% | 0.489 | S | S | . | . | S | Bend | trans | 70.7 | 15.7 | 176 | 0 | 0 | 0 | 0 | 0 | 115.5 | Q104 T105 | Q104-G108 VanDerWaalsContact OE1-CA 3.24Å; Q104-G108 PolarHBondContact OE1-O 3.14Å; T105-G108 PolarHBondContact O-N 2.76Å |
| 109 | L | 56.2 | Low | 65.9 | Low | 84 Ų | 84 | 79.4 Ų | 79.4 | 44% | 0.44 | 49% | 0.489 | S | S | . | . | trans | -100.5 | 137.7 | 176.7 | -84.3 | 74.2 | 0 | 0 | 0 | 111 | T105 D107 L113 | T105-L109 PolarHBondContact OG1-N 3.37Å; T105-L109 PolarHBondContact OG1-O 3.33Å; D107-L109 VanDerWaalsContact C-N 3.27Å; D107-L109 HydrophobicContact CB-CD1 4.46Å; D107-L109 WeakPolarHBondContact O-CD1 3.49Å; D107-L109 PolarHBondContact O-N 3.18Å; L109-L113 HydrophobicContact CB-CD2 4.3Å; L109-L113 HydrophobicContact CD2-CD2 3.47Å; L109-L113 VanDerWaalsContact CD2-CD2 3.47Å; L109-L113 HydrophobicContact CD2-CG 4.35Å; L109-L113 HydrophobicContact CG-CD2 3.84Å | ||
| 110 | P | 74.4 | Confident | 68.6 | Low | 44 Ų | 44 | 78.6 Ų | 78.6 | 29% | 0.286 | 47% | 0.471 | S | S | . | . | trans | -67.7 | 141.4 | 177.7 | 26.7 | -31.3 | 0 | 0 | 0 | 110.4 | C112 L113 | P110-C112 PolarHBondContact O-N 3.29Å; P110-L113 HydrophobicContact CG-CB 4.06Å; P110-L113 VanDerWaalsContact O-CB 3.28Å; P110-L113 WeakPolarHBondContact O-CB 3.4Å; P110-L113 PolarHBondContact O-N 3.24Å | ||
| 111 | T | 80.6 | Confident | 71 | Confident | 5 Ų | 5 | 72.4 Ų | 72.4 | 3% | 0.031 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -51.1 | -32.9 | -179.6 | -60.8 | 0 | 0 | 0 | 0 | 113.6 | L113 L114 C115 V122 P133 P134 L135 | T111-L113 PolarHBondContact O-N 3.22Å; T111-L114 PolarHBondContact O-N 3.14Å; T111-C115 HydrophobicContact CG2-CB 4.37Å; T111-C115 WeakPolarHBondContact O-CA 3.42Å; T111-C115 VanDerWaalsContact O-CB 3.23Å; T111-C115 WeakPolarHBondContact O-CB 3.23Å; T111-C115 PolarHBondContact O-N 3.39Å; T111-V122 HydrophobicContact CG2-CG1 4.11Å; T111-P133 HydrophobicContact CG2-CB 3.93Å; T111-P133 HydrophobicContact CG2-CG 3.87Å; T111-P134 WeakPolarHBondContact CB-O 3.45Å; T111-P134 PolarHBondContact OG1-O 2.85Å; T111-L135 HydrophobicContact CG2-CD2 4.29Å |
| 112 | C | 83.4 | Confident | 73.4 | Confident | 66 Ų | 66 | 66.8 Ų | 66.8 | 45% | 0.446 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -76.5 | -1.7 | 178.3 | -57 | 0 | 0 | 0 | 0 | 115 | P110 C115 C117 | P110-C112 PolarHBondContact O-N 3.29Å; C112-C115 CarbonylContact C-O 3.58Å; C112-C115 WeakPolarHBondContact CA-O 3.31Å; C112-C117 WeakPolarHBondContact CA-SG 3.09Å; C112-C117 HydrophobicContact CB-CB 3.72Å; C112-C117 WeakPolarHBondContact CB-SG 3.37Å; C112-C117 WeakPolarHBondContact SG-CB 3.37Å; C112-C117 CovalentContact SG-SG 2.04Å; C112-C117 PolarHBondContact SG-SG 2.87Å |
| 113 | L | 83.5 | Confident | 75.6 | Confident | 120 Ų | 120 | 68.9 Ų | 68.9 | 63% | 0.628 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -92.2 | -33.1 | 169.1 | -168 | 65.3 | 0 | 0 | 0 | 110.7 | L109 P110 T111 | L109-L113 HydrophobicContact CB-CD2 4.3Å; L109-L113 HydrophobicContact CD2-CD2 3.47Å; L109-L113 VanDerWaalsContact CD2-CD2 3.47Å; L109-L113 HydrophobicContact CD2-CG 4.35Å; L109-L113 HydrophobicContact CG-CD2 3.84Å; P110-L113 HydrophobicContact CG-CB 4.06Å; P110-L113 VanDerWaalsContact O-CB 3.28Å; P110-L113 WeakPolarHBondContact O-CB 3.4Å; P110-L113 PolarHBondContact O-N 3.24Å; T111-L113 PolarHBondContact O-N 3.22Å |
| 114 | L | 85.5 | Confident | 77.9 | Confident | 73 Ų | 73 | 65.5 Ų | 65.5 | 38% | 0.382 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -87.3 | -23.2 | 176.1 | -174.2 | 60.6 | 0 | 0 | 0 | 113.1 | T111 R127 L129 | T111-L114 PolarHBondContact O-N 3.14Å; L114-R127 PolarHBondContact O-NH1 2.82Å; L114-L129 HydrophobicContact CD2-CD2 3.34Å; L114-L129 HydrophobicContact CG-CD2 4.01Å |
| 115 | C | 91.4 | Very high | 80.2 | Confident | 4 Ų | 4 | 62 Ų | 62 | 3% | 0.027 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -131.1 | 164.5 | -176.8 | -59.6 | 0 | 0 | 0 | 0 | 110.9 | T111 C112 V122 Y123 C124 | T111-C115 HydrophobicContact CG2-CB 4.37Å; T111-C115 WeakPolarHBondContact O-CA 3.42Å; T111-C115 VanDerWaalsContact O-CB 3.23Å; T111-C115 WeakPolarHBondContact O-CB 3.23Å; T111-C115 PolarHBondContact O-N 3.39Å; C112-C115 CarbonylContact C-O 3.58Å; C112-C115 WeakPolarHBondContact CA-O 3.31Å; C115-V122 HydrophobicContact CB-CG1 4.09Å; C115-Y123 VanDerWaalsContact CB-O 3.31Å; C115-Y123 WeakPolarHBondContact CB-O 3.08Å; C115-C124 HydrophobicContact CB-CB 4Å; C115-C124 WeakPolarHBondContact CB-SG 3.42Å; C115-C124 VanDerWaalsContact SG-CA 3.58Å; C115-C124 WeakPolarHBondContact SG-CB 3.22Å; C115-C124 CovalentContact SG-SG 2.02Å; C115-C124 PolarHBondContact SG-SG 2.96Å |
| 116 | T | 93.1 | Very high | 82.4 | Confident | 63 Ų | 63 | 66.3 Ų | 66.3 | 39% | 0.387 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 109.2 | 178.2 | -55.3 | 0 | 0 | 0 | 0 | 110.1 | L118 Y123 R127 | T116-L118 HydrophobicContact CG2-CD2 4.33Å; T116-L118 HydrophobicContact CG2-CG 4.14Å; T116-Y123 PolarHBondContact N-O 3.49Å; T116-Y123 PolarHBondContact O-N 3.3Å; T116-R127 PolarHBondContact OG1-NH2 3.33Å |
| 117 | C | 92.9 | Very high | 84.4 | Confident | 41 Ų | 41 | 61.3 Ų | 61.3 | 28% | 0.277 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 115.9 | 177 | -65.1 | 0 | 0 | 0 | 0 | 111.1 | C112 T121 | C112-C117 WeakPolarHBondContact CA-SG 3.09Å; C112-C117 HydrophobicContact CB-CB 3.72Å; C112-C117 WeakPolarHBondContact CB-SG 3.37Å; C112-C117 WeakPolarHBondContact SG-CB 3.37Å; C112-C117 CovalentContact SG-SG 2.04Å; C112-C117 PolarHBondContact SG-SG 2.87Å; C117-T121 CarbonylContact C-O 3.13Å; C117-T121 WeakPolarHBondContact CA-O 3.42Å |
| 118 | L | 91.9 | Very high | 86.7 | Confident | 109 Ų | 109 | 60 Ų | 60 | 57% | 0.571 | 35% | 0.348 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 104.1 | 177 | -61.9 | 179.5 | 0 | 0 | 0 | 109.8 | T116 T120 T121 Y123 | T116-L118 HydrophobicContact CG2-CD2 4.33Å; T116-L118 HydrophobicContact CG2-CG 4.14Å; L118-T120 PolarHBondContact O-N 3.46Å; L118-T121 PolarHBondContact N-O 3.37Å; L118-T121 PolarHBondContact O-N 3.23Å; L118-Y123 HydrophobicContact CB-CE2 4.41Å; L118-Y123 HydrophobicContact CD1-CD2 4.36Å; L118-Y123 HydrophobicContact CD1-CE2 4.04Å; L118-Y123 HydrophobicContact CG-CE2 4.47Å |
| 119 | G | 90.2 | Very high | 88.8 | Confident | 87 Ų | 87 | 58.8 Ų | 58.8 | 90% | 0.897 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.1 | -107 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 120 | T | 92.5 | Very high | 90.6 | Very high | 51 Ų | 51 | 58.4 Ų | 58.4 | 31% | 0.313 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | 6.2 | 176.8 | 56.9 | 0 | 0 | 0 | 0 | 113.2 | L118 K138 T139 M140 Y141 | L118-T120 PolarHBondContact O-N 3.46Å; T120-K138 WeakPolarHBondContact CB-O 3.45Å; T120-K138 WeakPolarHBondContact CG2-O 3.44Å; T120-T139 CarbonylContact O-C 3.12Å; T120-T139 WeakPolarHBondContact O-CA 3.45Å; T120-M140 HydrophobicContact CG2-CE 4.14Å; T120-M140 HydrophobicContact CG2-CG 4.23Å; T120-M140 HydrophobicContact CG2-SD 3.98Å; T120-M140 PolarHBondContact O-N 3.42Å; T120-M140 PolarHBondContact OG1-SD 3.2Å; T120-Y141 PolarHBondContact O-N 3.23Å |
| 121 | T | 96.1 | Very high | 91.5 | Very high | 20 Ų | 20 | 58.8 Ų | 58.8 | 12% | 0.123 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 137.3 | 179.8 | -54.1 | 0 | 0 | 0 | 0 | 110.8 | C117 L118 Y123 Y141 Y143 | C117-T121 CarbonylContact C-O 3.13Å; C117-T121 WeakPolarHBondContact CA-O 3.42Å; L118-T121 PolarHBondContact N-O 3.37Å; L118-T121 PolarHBondContact O-N 3.23Å; T121-Y123 HydrophobicContact CG2-CD1 4.4Å; T121-Y123 HydrophobicContact CG2-CD2 3.84Å; T121-Y123 HydrophobicContact CG2-CE1 3.91Å; T121-Y123 HydrophobicContact CG2-CE2 3.28Å; T121-Y123 HydrophobicContact CG2-CG 4.37Å; T121-Y141 WeakPolarHBondContact CA-O 3.33Å; T121-Y143 HydrophobicContact CG2-CD2 3.73Å; T121-Y143 HydrophobicContact CG2-CE2 3.67Å |
| 122 | V | 95.8 | Very high | 92.1 | Very high | 3 Ų | 3 | 59.2 Ų | 59.2 | 2% | 0.018 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 118.3 | 175.9 | -179.5 | 0 | 0 | 0 | 0 | 108.7 | T111 C115 L135 P136 T139 Y141 F142 Y143 | T111-V122 HydrophobicContact CG2-CG1 4.11Å; C115-V122 HydrophobicContact CB-CG1 4.09Å; V122-L135 HydrophobicContact CG1-CD2 4.23Å; V122-P136 HydrophobicContact CG2-CG 4.44Å; V122-T139 HydrophobicContact CB-CG2 4.29Å; V122-T139 HydrophobicContact CG2-CG2 3.77Å; V122-Y141 PolarHBondContact N-O 3.07Å; V122-F142 HydrophobicContact CB-CD2 4.18Å; V122-F142 HydrophobicContact CG1-CD2 4.22Å; V122-F142 HydrophobicContact CG1-CE2 4.42Å; V122-Y143 PolarHBondContact O-N 3.19Å |
| 123 | Y | 96 | Very high | 92.5 | Very high | 83 Ų | 83 | 56.4 Ų | 56.4 | 33% | 0.325 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 112.4 | 177 | -61.8 | -83.4 | 0 | 0 | 0 | 110.3 | C115 T116 L118 T121 Y143 | C115-Y123 VanDerWaalsContact CB-O 3.31Å; C115-Y123 WeakPolarHBondContact CB-O 3.08Å; T116-Y123 PolarHBondContact N-O 3.49Å; T116-Y123 PolarHBondContact O-N 3.3Å; L118-Y123 HydrophobicContact CB-CE2 4.41Å; L118-Y123 HydrophobicContact CD1-CD2 4.36Å; L118-Y123 HydrophobicContact CD1-CE2 4.04Å; L118-Y123 HydrophobicContact CG-CE2 4.47Å; T121-Y123 HydrophobicContact CG2-CD1 4.4Å; T121-Y123 HydrophobicContact CG2-CD2 3.84Å; T121-Y123 HydrophobicContact CG2-CE1 3.91Å; T121-Y123 HydrophobicContact CG2-CE2 3.28Å; T121-Y123 HydrophobicContact CG2-CG 4.37Å; Y123-Y143 AromaticContact CD1-CD2 3.64Å; Y123-Y143 HydrophobicContact CD1-CD2 3.64Å; Y123-Y143 HydrophobicContact CD1-CE2 4.48Å; Y123-Y143 HydrophobicContact CD1-CG 4.03Å; Y123-Y143 AromaticContact CE1-CD2 3.38Å; Y123-Y143 HydrophobicContact CE1-CD2 3.38Å; Y123-Y143 AromaticContact CE1-CE2 3.78Å; Y123-Y143 HydrophobicContact CE1-CE2 3.78Å; Y123-Y143 HydrophobicContact CE1-CG 4.04Å |
| 124 | C | 95.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 31% | 0.311 | C | S | . | . | trans | -119 | 22.7 | -179.7 | -67.7 | 0 | 0 | 0 | 0 | 111.8 | C115 D126 R127 L129 F142 Y143 N147 | C115-C124 HydrophobicContact CB-CB 4Å; C115-C124 WeakPolarHBondContact CB-SG 3.42Å; C115-C124 VanDerWaalsContact SG-CA 3.58Å; C115-C124 WeakPolarHBondContact SG-CB 3.22Å; C115-C124 CovalentContact SG-SG 2.02Å; C115-C124 PolarHBondContact SG-SG 2.96Å; C124-D126 PolarHBondContact O-N 3.13Å; C124-R127 WeakPolarHBondContact O-CG 3.05Å; C124-L129 HydrophobicContact CB-CD1 3.64Å; C124-F142 HydrophobicContact CB-CE2 4.29Å; C124-Y143 PolarHBondContact N-O 2.82Å; C124-N147 PolarHBondContact O-ND2 3.08Å | ||
| 125 | D | 95.5 | Very high | 93.1 | Very high | 36 Ų | 36 | 49.3 Ų | 49.3 | 19% | 0.193 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | 136.4 | -177 | -58.3 | -47 | 0 | 0 | 0 | 111.6 | R127 R145 | D125-R127 WeakPolarHBondContact O-CG 3.41Å; D125-R127 PolarHBondContact O-N 2.95Å; D125-R127 PolarHBondContact O-NE 2.98Å; D125-R145 WeakPolarHBondContact CA-O 3.26Å; D125-R145 VanDerWaalsContact OD1-CB 3.22Å; D125-R145 WeakPolarHBondContact OD1-CB 3.44Å; D125-R145 WeakPolarHBondContact OD1-CG 3.32Å; D125-R145 IonicContact OD1-CZ 3.18Å; D125-R145 PolarHBondContact OD1-N 2.98Å; D125-R145 IonicContact OD1-NE 3.75Å; D125-R145 PolarHBondContact OD1-NE 2.03Å; D125-R145 IonicContact OD1-NH2 2.87Å; D125-R145 IonicContact OD2-CZ 3.68Å; D125-R145 IonicContact OD2-NE 3.15Å; D125-R145 PolarHBondContact OD2-NE 2.92Å; D125-R145 IonicContact OD2-NH2 2.64Å; D125-R145 PolarHBondContact OD2-NH2 3.36Å |
| 126 | D | 94.4 | Very high | 93 | Very high | 120 Ų | 120 | 51.1 Ų | 51.1 | 64% | 0.642 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.8 | 49.2 | 174.3 | -162 | 27.6 | 0 | 0 | 0 | 114.8 | C124 R145 | C124-D126 PolarHBondContact O-N 3.13Å; D126-R145 PolarHBondContact N-O 3.35Å |
| 127 | R | 92 | Very high | 92.9 | Very high | 98 Ų | 98 | 55.6 Ų | 55.6 | 37% | 0.37 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -113 | 15 | 179.7 | -58.2 | -60.9 | 171.7 | 95.2 | 2.1 | 113 | L114 T116 C124 D125 L129 N147 | L114-R127 PolarHBondContact O-NH1 2.82Å; T116-R127 PolarHBondContact OG1-NH2 3.33Å; C124-R127 WeakPolarHBondContact O-CG 3.05Å; D125-R127 WeakPolarHBondContact O-CG 3.41Å; D125-R127 PolarHBondContact O-N 2.95Å; D125-R127 PolarHBondContact O-NE 2.98Å; R127-L129 HydrophobicContact CB-CD1 4.34Å; R127-L129 HydrophobicContact CB-CD2 4.3Å; R127-L129 HydrophobicContact CB-CG 3.91Å; R127-L129 PolarHBondContact O-N 3.42Å; R127-N147 WeakPolarHBondContact CA-OD1 3.25Å; R127-N147 PolarHBondContact N-OD1 3.5Å |
| 128 | E | 92.3 | Very high | 92.7 | Very high | 112 Ų | 112 | 61.5 Ų | 61.5 | 52% | 0.523 | 34% | 0.343 | S | S | . | . | trans | 52.6 | 25.7 | -176.9 | -50.8 | -164.1 | 156.5 | 0 | 0 | 114.9 | A130 N147 R148 | E128-A130 PolarHBondContact O-N 2.63Å; E128-N147 PolarHBondContact N-OD1 3.08Å; E128-N147 VanDerWaalsContact N-OD1 3.15Å; E128-R148 VanDerWaalsContact CD-CZ 3.41Å; E128-R148 IonicContact OE1-CZ 2.75Å; E128-R148 IonicContact OE1-NH1 2.93Å; E128-R148 IonicContact OE1-NH2 3.79Å; E128-R148 PolarHBondContact OE1-NH2 3.41Å; E128-R148 IonicContact OE2-CZ 3.52Å; E128-R148 IonicContact OE2-NH1 3.77Å; E128-R148 PolarHBondContact OE2-NH1 3.32Å; E128-R148 IonicContact OE2-NH2 3.44Å; E128-R148 PolarHBondContact OE2-NH2 3.4Å | ||
| 129 | L | 92.3 | Very high | 92.8 | Very high | 15 Ų | 15 | 56.5 Ų | 56.5 | 8% | 0.079 | 32% | 0.316 | C | S | . | . | trans | -61.7 | 126.7 | -173.9 | -62.9 | 172.3 | 0 | 0 | 0 | 111.1 | L114 C124 R127 P133 N147 R148 I149 | L114-L129 HydrophobicContact CD2-CD2 3.34Å; L114-L129 HydrophobicContact CG-CD2 4.01Å; C124-L129 HydrophobicContact CB-CD1 3.64Å; R127-L129 HydrophobicContact CB-CD1 4.34Å; R127-L129 HydrophobicContact CB-CD2 4.3Å; R127-L129 HydrophobicContact CB-CG 3.91Å; R127-L129 PolarHBondContact O-N 3.42Å; L129-P133 HydrophobicContact CD1-CG 4.25Å; L129-N147 HydrophobicContact CB-CB 4.1Å; L129-N147 WeakPolarHBondContact CB-OD1 3.28Å; L129-N147 WeakPolarHBondContact CG-OD1 3.27Å; L129-N147 PolarHBondContact N-OD1 2.86Å; L129-R148 CarbonylContact O-C 3.57Å; L129-R148 VanDerWaalsContact O-CA 3.24Å; L129-R148 WeakPolarHBondContact O-CA 3.03Å; L129-R148 PolarHBondContact O-N 3.09Å; L129-I149 HydrophobicContact CB-CG1 4.31Å; L129-I149 WeakPolarHBondContact O-CG1 3.37Å; L129-I149 PolarHBondContact O-N 3.22Å | ||
| 130 | A | 93.1 | Very high | 93.1 | Very high | 77 Ų | 77 | 55 Ų | 55 | 64% | 0.636 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -83.1 | -20.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | E128 I149 | E128-A130 PolarHBondContact O-N 2.63Å; A130-I149 WeakPolarHBondContact O-CA 3.26Å |
| 131 | A | 93.7 | Very high | 93.4 | Very high | 52 Ų | 52 | 56.2 Ų | 56.2 | 43% | 0.43 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -148.1 | 164 | -178.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | P133 | A131-P133 WeakPolarHBondContact O-CD 3.43Š|
| 132 | V | 93.6 | Very high | 93.4 | Very high | 13 Ų | 13 | 55.2 Ų | 55.2 | 8% | 0.079 | 28% | 0.28 | C | S | . | . | trans | -66.3 | 122.1 | 174.3 | -179.9 | 0 | 0 | 0 | 0 | 108.9 | F142 I149 D156 F157 | V132-F142 HydrophobicContact CG1-CE1 4Å; V132-F142 HydrophobicContact CG1-CZ 4.18Å; V132-I149 HydrophobicContact CG2-CD1 4.25Å; V132-I149 HydrophobicContact CG2-CG2 4.31Å; V132-D156 HydrophobicContact CB-CB 3.97Å; V132-D156 HydrophobicContact CG1-CB 4.15Å; V132-D156 HydrophobicContact CG2-CB 4.33Å; V132-F157 HydrophobicContact CG1-CE1 3.89Å; V132-F157 HydrophobicContact CG1-CZ 3.94Å; V132-F157 HydrophobicContact CG2-CE2 4.42Å; V132-F157 HydrophobicContact CG2-CZ 3.98Å | ||
| 133 | P | 91.4 | Very high | 93.5 | Very high | 8 Ų | 8 | 56.8 Ų | 56.8 | 5% | 0.052 | 29% | 0.286 | C | S | . | . | trans | -72 | 155.5 | 177.8 | 30.9 | -34.6 | 0 | 0 | 0 | 110.5 | T105 T111 L129 A131 L135 | T105-P133 HydrophobicContact CG2-CB 4.4Å; T111-P133 HydrophobicContact CG2-CB 3.93Å; T111-P133 HydrophobicContact CG2-CG 3.87Å; L129-P133 HydrophobicContact CD1-CG 4.25Å; A131-P133 WeakPolarHBondContact O-CD 3.43Å; P133-L135 HydrophobicContact CG-CD2 4.39Å; P133-L135 WeakPolarHBondContact O-CG 3.47Å; P133-L135 PolarHBondContact O-N 2.77Å | ||
| 134 | P | 90.1 | Very high | 93.5 | Very high | 33 Ų | 33 | 52.9 Ų | 52.9 | 21% | 0.214 | 27% | 0.27 | C | S | . | . | trans | -65.3 | 107.7 | 179.5 | 29.2 | -34.2 | 0 | 0 | 0 | 110.7 | P103 T105 T111 | P103-P134 HydrophobicContact CB-CB 3.87Å; P103-P134 HydrophobicContact CG-CB 3.93Å; P103-P134 WeakPolarHBondContact O-CG 3.49Å; T105-P134 HydrophobicContact CG2-CG 3.59Å; T111-P134 WeakPolarHBondContact CB-O 3.45Å; T111-P134 PolarHBondContact OG1-O 2.85Å | ||
| 135 | L | 91.6 | Very high | 93.6 | Very high | 10 Ų | 10 | 56.8 Ų | 56.8 | 5% | 0.052 | 29% | 0.285 | C | S | . | . | trans | -78.7 | 146.5 | -172.6 | -60 | 176.2 | 0 | 0 | 0 | 112.4 | T111 V122 P133 F142 F157 L160 | T111-L135 HydrophobicContact CG2-CD2 4.29Å; V122-L135 HydrophobicContact CG1-CD2 4.23Å; P133-L135 HydrophobicContact CG-CD2 4.39Å; P133-L135 WeakPolarHBondContact O-CG 3.47Å; P133-L135 PolarHBondContact O-N 2.77Å; L135-F142 HydrophobicContact CD1-CB 4.24Å; L135-F142 HydrophobicContact CD1-CD1 3.87Å; L135-F142 HydrophobicContact CD1-CD2 4.09Å; L135-F142 HydrophobicContact CD1-CE1 4.19Å; L135-F142 HydrophobicContact CD1-CE2 4.42Å; L135-F142 HydrophobicContact CD1-CG 3.8Å; L135-F142 HydrophobicContact CD1-CZ 4.46Å; L135-F142 HydrophobicContact CD2-CD2 3.68Å; L135-F142 HydrophobicContact CD2-CE2 3.61Å; L135-F142 HydrophobicContact CD2-CG 4.26Å; L135-F142 HydrophobicContact CD2-CZ 4.11Å; L135-F157 HydrophobicContact CD1-CD1 4.01Å; L135-F157 HydrophobicContact CD1-CE1 3.94Å; L135-L160 HydrophobicContact CB-CD1 3.96Å; L135-L160 HydrophobicContact CB-CD2 4.2Å; L135-L160 HydrophobicContact CD1-CD1 3.7Å; L135-L160 HydrophobicContact CG-CD1 4.39Å | ||
| 136 | P | 90.2 | Very high | 93.7 | Very high | 42 Ų | 42 | 61.1 Ų | 61.1 | 27% | 0.273 | 30% | 0.3 | S | S | . | . | trans | -58.4 | 139.9 | 168.8 | -22.5 | 32.2 | 0 | 0 | 0 | 111.9 | V122 K138 T139 L160 | V122-P136 HydrophobicContact CG2-CG 4.44Å; P136-K138 PolarHBondContact O-N 2.84Å; P136-T139 WeakPolarHBondContact CD-OG1 3.34Å; P136-T139 VanDerWaalsContact O-CB 3.27Å; P136-T139 WeakPolarHBondContact O-CB 3.44Å; P136-T139 PolarHBondContact O-N 2.92Å; P136-T139 PolarHBondContact O-OG1 3.21Å; P136-L160 WeakPolarHBondContact O-CD2 3.48Å | ||
| 137 | K | 89.5 | Confident | 93.8 | Very high | 158 Ų | 158 | 55.6 Ų | 55.6 | 69% | 0.687 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -22.6 | -178 | -63.5 | -175.4 | -178.8 | -179.5 | 0 | 115 | T139 | K137-T139 VanDerWaalsContact C-N 3.33Š|
| 138 | K | 90 | Very high | 94.1 | Very high | 165 Ų | 165 | 56.6 Ų | 56.6 | 72% | 0.717 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | 2.9 | 179.8 | -63.8 | -176.9 | 179.2 | 179.9 | 0 | 113.3 | T120 P136 M140 | T120-K138 WeakPolarHBondContact CB-O 3.45Å; T120-K138 WeakPolarHBondContact CG2-O 3.44Å; P136-K138 PolarHBondContact O-N 2.84Å; K138-M140 PolarHBondContact O-N 3.49Å |
| 139 | T | 93.9 | Very high | 94.3 | Very high | 3 Ų | 3 | 51.2 Ų | 51.2 | 2% | 0.018 | 25% | 0.249 | C | C | . | . | trans | -64.3 | 126.7 | -178.7 | -54.2 | 0 | 0 | 0 | 0 | 110.3 | T120 V122 P136 K137 Y141 F142 L163 | T120-T139 CarbonylContact O-C 3.12Å; T120-T139 WeakPolarHBondContact O-CA 3.45Å; V122-T139 HydrophobicContact CB-CG2 4.29Å; V122-T139 HydrophobicContact CG2-CG2 3.77Å; P136-T139 WeakPolarHBondContact CD-OG1 3.34Å; P136-T139 VanDerWaalsContact O-CB 3.27Å; P136-T139 WeakPolarHBondContact O-CB 3.44Å; P136-T139 PolarHBondContact O-N 2.92Å; P136-T139 PolarHBondContact O-OG1 3.21Å; K137-T139 VanDerWaalsContact C-N 3.33Å; T139-Y141 WeakPolarHBondContact CG2-O 3.38Å; T139-F142 HydrophobicContact CG2-CB 4.36Å; T139-L163 HydrophobicContact CG2-CD1 3.98Å | ||
| 140 | M | 96.4 | Very high | 94.5 | Very high | 56 Ų | 56 | 58.6 Ų | 58.6 | 28% | 0.276 | 28% | 0.276 | S | S | . | . | trans | -106.2 | -33.8 | 175.6 | -68.2 | 178.7 | 178.8 | 0 | 0 | 111.9 | T120 K138 N162 K164 R165 | T120-M140 HydrophobicContact CG2-CE 4.14Å; T120-M140 HydrophobicContact CG2-CG 4.23Å; T120-M140 HydrophobicContact CG2-SD 3.98Å; T120-M140 PolarHBondContact O-N 3.42Å; T120-M140 PolarHBondContact OG1-SD 3.2Å; K138-M140 PolarHBondContact O-N 3.49Å; M140-N162 WeakPolarHBondContact CA-O 3.3Å; M140-N162 HydrophobicContact CE-CB 4.44Å; M140-N162 HydrophobicContact CG-CB 4.03Å; M140-N162 WeakPolarHBondContact CG-O 3.39Å; M140-K164 PolarHBondContact O-N 2.91Å; M140-R165 PolarHBondContact O-N 2.98Å | ||
| 141 | Y | 97.3 | Very high | 94.7 | Very high | 76 Ų | 76 | 61.3 Ų | 61.3 | 30% | 0.298 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 127 | -177.7 | -56.6 | -90 | 0 | 0 | 0 | 108.5 | T120 T121 V122 T139 K164 R165 | T120-Y141 PolarHBondContact O-N 3.23Å; T121-Y141 WeakPolarHBondContact CA-O 3.33Å; V122-Y141 PolarHBondContact N-O 3.07Å; T139-Y141 WeakPolarHBondContact CG2-O 3.38Å; Y141-K164 HydrophobicContact CE1-CB 4.42Å; Y141-R165 HydrophobicContact CD1-CB 3.74Å; Y141-R165 HydrophobicContact CE1-CB 4.32Å |
| 142 | F | 97.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 119.1 | 178.3 | 175.9 | -129.3 | 0 | 0 | 0 | 110 | V122 C124 V132 L135 T139 S144 F157 L163 R165 I166 D167 L168 | V122-F142 HydrophobicContact CB-CD2 4.18Å; V122-F142 HydrophobicContact CG1-CD2 4.22Å; V122-F142 HydrophobicContact CG1-CE2 4.42Å; C124-F142 HydrophobicContact CB-CE2 4.29Å; V132-F142 HydrophobicContact CG1-CE1 4Å; V132-F142 HydrophobicContact CG1-CZ 4.18Å; L135-F142 HydrophobicContact CD1-CB 4.24Å; L135-F142 HydrophobicContact CD1-CD1 3.87Å; L135-F142 HydrophobicContact CD1-CD2 4.09Å; L135-F142 HydrophobicContact CD1-CE1 4.19Å; L135-F142 HydrophobicContact CD1-CE2 4.42Å; L135-F142 HydrophobicContact CD1-CG 3.8Å; L135-F142 HydrophobicContact CD1-CZ 4.46Å; L135-F142 HydrophobicContact CD2-CD2 3.68Å; L135-F142 HydrophobicContact CD2-CE2 3.61Å; L135-F142 HydrophobicContact CD2-CG 4.26Å; L135-F142 HydrophobicContact CD2-CZ 4.11Å; T139-F142 HydrophobicContact CG2-CB 4.36Å; F142-S144 VanDerWaalsContact CZ-CB 3.42Å; F142-F157 AromaticContact CD1-CE1 3.72Å; F142-F157 HydrophobicContact CD1-CE1 3.72Å; F142-F157 HydrophobicContact CD1-CZ 4.3Å; F142-F157 AromaticContact CE1-CE1 3.84Å; F142-F157 HydrophobicContact CE1-CE1 3.84Å; F142-F157 HydrophobicContact CE1-CZ 4.14Å; F142-L163 HydrophobicContact CB-CD1 4.19Å; F142-R165 PolarHBondContact N-O 3.31Å; F142-I166 HydrophobicContact CD1-CG2 4.38Å; F142-D167 PolarHBondContact O-N 3.38Å; F142-L168 HydrophobicContact CD1-CD2 4.39Å; F142-L168 HydrophobicContact CE1-CD2 3.74Å; F142-L168 HydrophobicContact CZ-CD2 4.37Å |
| 143 | Y | 97.8 | Very high | 94.9 | Very high | 36 Ų | 36 | 62.3 Ų | 62.3 | 14% | 0.141 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 120.3 | 176.4 | -59.4 | -84.7 | 0 | 0 | 0 | 108.5 | T121 V122 Y123 C124 D167 | T121-Y143 HydrophobicContact CG2-CD2 3.73Å; T121-Y143 HydrophobicContact CG2-CE2 3.67Å; V122-Y143 PolarHBondContact O-N 3.19Å; Y123-Y143 AromaticContact CD1-CD2 3.64Å; Y123-Y143 HydrophobicContact CD1-CD2 3.64Å; Y123-Y143 HydrophobicContact CD1-CE2 4.48Å; Y123-Y143 HydrophobicContact CD1-CG 4.03Å; Y123-Y143 AromaticContact CE1-CD2 3.38Å; Y123-Y143 HydrophobicContact CE1-CD2 3.38Å; Y123-Y143 AromaticContact CE1-CE2 3.78Å; Y123-Y143 HydrophobicContact CE1-CE2 3.78Å; Y123-Y143 HydrophobicContact CE1-CG 4.04Å; C124-Y143 PolarHBondContact N-O 2.82Å; Y143-D167 HydrophobicContact CD1-CB 3.64Å; Y143-D167 HydrophobicContact CE1-CB 4.14Å |
| 144 | S | 96.6 | Very high | 95 | Very high | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 29% | 0.285 | C | S | . | . | trans | -141.4 | 56.4 | 177.2 | -168.3 | 0 | 0 | 0 | 0 | 110.1 | F142 N147 D167 N171 | F142-S144 VanDerWaalsContact CZ-CB 3.42Å; S144-N147 VanDerWaalsContact C-ND2 3.31Å; S144-N147 PolarHBondContact O-ND2 3.27Å; S144-N147 PolarHBondContact OG-ND2 3.13Å; S144-N147 VanDerWaalsContact OG-ND2 3.1Å; S144-D167 PolarHBondContact N-O 2.89Å; S144-N171 PolarHBondContact O-ND2 3.1Å | ||
| 145 | R | 97.6 | Very high | 95.1 | Very high | 82 Ų | 82 | 71 Ų | 71 | 31% | 0.309 | 30% | 0.303 | S | S | . | . | trans | -77.6 | 157.4 | -177.1 | -54.9 | 170.1 | -72.1 | -177.7 | 0.4 | 111 | D125 D126 N147 D167 T169 | D125-R145 WeakPolarHBondContact CA-O 3.26Å; D125-R145 VanDerWaalsContact OD1-CB 3.22Å; D125-R145 WeakPolarHBondContact OD1-CB 3.44Å; D125-R145 WeakPolarHBondContact OD1-CG 3.32Å; D125-R145 IonicContact OD1-CZ 3.18Å; D125-R145 PolarHBondContact OD1-N 2.98Å; D125-R145 IonicContact OD1-NE 3.75Å; D125-R145 PolarHBondContact OD1-NE 2.03Å; D125-R145 IonicContact OD1-NH2 2.87Å; D125-R145 IonicContact OD2-CZ 3.68Å; D125-R145 IonicContact OD2-NE 3.15Å; D125-R145 PolarHBondContact OD2-NE 2.92Å; D125-R145 IonicContact OD2-NH2 2.64Å; D125-R145 PolarHBondContact OD2-NH2 3.36Å; D126-R145 PolarHBondContact N-O 3.35Å; R145-N147 PolarHBondContact O-N 3.25Å; R145-N147 PolarHBondContact O-ND2 3.28Å; R145-D167 WeakPolarHBondContact CG-OD1 3.28Å; R145-T169 CarbonylContact C-O 3.59Å; R145-T169 WeakPolarHBondContact CA-O 3.17Å | ||
| 146 | Y | 97.5 | Very high | 95.2 | Very high | 127 Ų | 127 | 72 Ų | 72 | 50% | 0.498 | 31% | 0.308 | S | S | . | . | S | Bend | trans | 55.4 | 39.8 | 174.7 | -49.2 | -72.3 | 0 | 0 | 0 | 113.2 | T169 A170 | Y146-T169 PolarHBondContact N-O 3.18Å; Y146-A170 VanDerWaalsContact CA-O 3.22Å; Y146-A170 WeakPolarHBondContact CA-O 3.43Å; Y146-A170 HydrophobicContact CD1-CB 3.38Å; Y146-A170 HydrophobicContact CE1-CB 3.52Å; Y146-A170 HydrophobicContact CG-CB 4.25Å; Y146-A170 PolarHBondContact N-O 3.38Å |
| 147 | N | 96.6 | Very high | 95.4 | Very high | 4 Ų | 4 | 70.1 Ų | 70.1 | 2% | 0.021 | 30% | 0.296 | C | S | . | . | trans | -108.6 | -173.1 | 176.1 | -79.3 | -78.3 | 0 | 0 | 0 | 110.4 | C124 R127 E128 L129 S144 R145 I149 N171 | C124-N147 PolarHBondContact O-ND2 3.08Å; R127-N147 WeakPolarHBondContact CA-OD1 3.25Å; R127-N147 PolarHBondContact N-OD1 3.5Å; E128-N147 PolarHBondContact N-OD1 3.08Å; E128-N147 VanDerWaalsContact N-OD1 3.15Å; L129-N147 HydrophobicContact CB-CB 4.1Å; L129-N147 WeakPolarHBondContact CB-OD1 3.28Å; L129-N147 WeakPolarHBondContact CG-OD1 3.27Å; L129-N147 PolarHBondContact N-OD1 2.86Å; S144-N147 VanDerWaalsContact C-ND2 3.31Å; S144-N147 PolarHBondContact O-ND2 3.27Å; S144-N147 PolarHBondContact OG-ND2 3.13Å; S144-N147 VanDerWaalsContact OG-ND2 3.1Å; R145-N147 PolarHBondContact O-N 3.25Å; R145-N147 PolarHBondContact O-ND2 3.28Å; N147-I149 HydrophobicContact CB-CD1 4.45Å; N147-I149 HydrophobicContact CB-CG1 4.22Å; N147-N171 WeakPolarHBondContact CA-OD1 2.88Å; N147-N171 WeakPolarHBondContact CB-OD1 3.42Å; N147-N171 PolarHBondContact O-OD1 2.92Å | ||
| 148 | R | 97.1 | Very high | 95.3 | Very high | 119 Ų | 119 | 63.7 Ų | 63.7 | 45% | 0.449 | 27% | 0.272 | S | S | . | . | trans | -111.5 | 26.9 | -178 | -56.3 | -172.7 | 179.1 | 141.3 | 7.7 | 112.2 | E128 L129 R150 F172 | E128-R148 VanDerWaalsContact CD-CZ 3.41Å; E128-R148 IonicContact OE1-CZ 2.75Å; E128-R148 IonicContact OE1-NH1 2.93Å; E128-R148 IonicContact OE1-NH2 3.79Å; E128-R148 PolarHBondContact OE1-NH2 3.41Å; E128-R148 IonicContact OE2-CZ 3.52Å; E128-R148 IonicContact OE2-NH1 3.77Å; E128-R148 PolarHBondContact OE2-NH1 3.32Å; E128-R148 IonicContact OE2-NH2 3.44Å; E128-R148 PolarHBondContact OE2-NH2 3.4Å; L129-R148 CarbonylContact O-C 3.57Å; L129-R148 VanDerWaalsContact O-CA 3.24Å; L129-R148 WeakPolarHBondContact O-CA 3.03Å; L129-R148 PolarHBondContact O-N 3.09Å; R148-R150 PolarHBondContact O-N 2.74Å; R148-F172 HydrophobicContact CB-CD2 4.15Å; R148-F172 HydrophobicContact CB-CE2 4.34Å; R148-F172 HydrophobicContact CG-CD2 4.41Å; R148-F172 HydrophobicContact CG-CE2 4.09Å | ||
| 149 | I | 97.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 27% | 0.269 | C | S | . | . | trans | -67.3 | 126.5 | -176.2 | -58.5 | 172.5 | 0 | 0 | 0 | 108.6 | L129 A130 V132 N147 L168 N171 F172 I173 | L129-I149 HydrophobicContact CB-CG1 4.31Å; L129-I149 WeakPolarHBondContact O-CG1 3.37Å; L129-I149 PolarHBondContact O-N 3.22Å; A130-I149 WeakPolarHBondContact O-CA 3.26Å; V132-I149 HydrophobicContact CG2-CD1 4.25Å; V132-I149 HydrophobicContact CG2-CG2 4.31Å; N147-I149 HydrophobicContact CB-CD1 4.45Å; N147-I149 HydrophobicContact CB-CG1 4.22Å; I149-L168 HydrophobicContact CD1-CD2 4.12Å; I149-N171 HydrophobicContact CB-CB 4.38Å; I149-N171 WeakPolarHBondContact CB-OD1 3.03Å; I149-N171 WeakPolarHBondContact CG1-OD1 3.32Å; I149-N171 PolarHBondContact N-OD1 3.33Å; I149-N171 VanDerWaalsContact N-OD1 3.09Å; I149-F172 CarbonylContact O-C 3.56Å; I149-F172 WeakPolarHBondContact O-CA 3.39Å; I149-F172 PolarHBondContact O-N 2.98Å; I149-I173 HydrophobicContact CB-CG1 4.29Å; I149-I173 HydrophobicContact CG2-CG1 4.03Å; I149-I173 WeakPolarHBondContact O-CG1 3Å; I149-I173 PolarHBondContact O-N 3.3Å | ||
| 150 | R | 96.4 | Very high | 95 | Very high | 170 Ų | 170 | 61.8 Ų | 61.8 | 64% | 0.642 | 27% | 0.27 | S | S | * | . | trans | -105.2 | -28.6 | -177 | -64.4 | -175.4 | -179.4 | -168.1 | 0.3 | 114.1 | R148 F172 I173 S174 | R148-R150 PolarHBondContact O-N 2.74Å; R150-F172 WeakPolarHBondContact CA-O 3.29Å; R150-F172 HydrophobicContact CG-CB 4.25Å; R150-I173 WeakPolarHBondContact O-CA 3.12Å; R150-S174 PolarHBondContact O-N 2.83Å | ||
| 151 | R | 96.5 | Very high | 94.8 | Very high | 134 Ų | 134 | 62 Ų | 62 | 51% | 0.506 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 146.3 | -172.8 | -59.2 | -171.9 | 168 | 158.9 | -8.7 | 110.4 | E175 | R151-E175 VanDerWaalsContact CA-O 3.3Å; R151-E175 WeakPolarHBondContact CA-O 3.39Å; R151-E175 HydrophobicContact CG-CB 4.17Å; R151-E175 IonicContact CZ-OE1 2.59Å; R151-E175 IonicContact CZ-OE2 3.48Å; R151-E175 VanDerWaalsContact CZ-OE2 3.27Å; R151-E175 IonicContact NE-OE1 2.75Å; R151-E175 PolarHBondContact NE-OE1 3.34Å; R151-E175 IonicContact NE-OE2 3.94Å; R151-E175 PolarHBondContact NE-OE2 3.2Å; R151-E175 IonicContact NH2-OE1 3.88Å; R151-E175 PolarHBondContact NH2-OE1 3.23Å; R151-E175 IonicContact NH2-OE2 3.09Å; R151-E175 PolarHBondContact NH2-OE2 2.95Å |
| 152 | I | 97.1 | Very high | 94.7 | Very high | 2 Ų | 2 | 61 Ų | 61 | 1% | 0.01 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 118.4 | 169.4 | -60.3 | 176.4 | 0 | 0 | 0 | 108.2 | D156 F157 L168 I173 E175 I176 H177 A180 F181 L192 | I152-D156 WeakPolarHBondContact CA-OD2 3.48Å; I152-D156 HydrophobicContact CG2-CB 4.46Å; I152-F157 HydrophobicContact CD1-CE2 4.39Å; I152-F157 HydrophobicContact CG2-CD2 4.06Å; I152-F157 HydrophobicContact CG2-CE2 3.67Å; I152-L168 HydrophobicContact CD1-CD1 3.6Å; I152-L168 HydrophobicContact CG1-CD1 4.44Å; I152-I173 HydrophobicContact CD1-CD1 4.1Å; I152-I173 HydrophobicContact CD1-CG2 4.32Å; I152-I173 HydrophobicContact CG1-CD1 4.46Å; I152-I173 HydrophobicContact CG1-CG2 4.28Å; I152-E175 PolarHBondContact N-O 3.22Å; I152-I176 HydrophobicContact CB-CG1 4.39Å; I152-I176 HydrophobicContact CB-CG2 4.11Å; I152-I176 HydrophobicContact CD1-CD1 4.32Å; I152-I176 HydrophobicContact CD1-CG1 4.19Å; I152-I176 HydrophobicContact CG1-CG1 4.49Å; I152-I176 HydrophobicContact CG2-CG2 4.36Å; I152-H177 PolarHBondContact O-N 3.29Å; I152-A180 HydrophobicContact CG2-CB 3.84Å; I152-F181 HydrophobicContact CD1-CZ 3.81Å; I152-F181 HydrophobicContact CG2-CZ 4.46Å; I152-L192 HydrophobicContact CD1-CD2 4.43Å |
| 153 | N | 95.4 | Very high | 94.7 | Very high | 83 Ų | 83 | 61 Ų | 61 | 44% | 0.444 | 28% | 0.276 | S | S | . | . | trans | -89.3 | 164.1 | 179.1 | -48.7 | -65.8 | 0 | 0 | 0 | 111.6 | N155 D156 | N153-N155 PolarHBondContact O-N 3Å; N153-D156 WeakPolarHBondContact CB-OD1 3.43Å; N153-D156 PolarHBondContact N-OD2 2.85Å; N153-D156 PolarHBondContact ND2-OD1 3.48Å; N153-D156 PolarHBondContact ND2-OD2 2.9Å; N153-D156 PolarHBondContact O-N 3.47Å | ||
| 154 | R | 94.1 | Very high | 94.7 | Very high | 114 Ų | 114 | 62.2 Ų | 62.2 | 43% | 0.43 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | -30.7 | 177.9 | -168.7 | 179.3 | -166.3 | -159.9 | 6.7 | 114.4 | H177 D179 | R154-H177 HydrophobicContact CB-CB 4.48Å; R154-D179 HydrophobicContact CG-CB 4.06Å; R154-D179 IonicContact CZ-OD2 2.94Å; R154-D179 IonicContact NE-OD2 2.73Å; R154-D179 PolarHBondContact NE-OD2 3.05Å; R154-D179 IonicContact NH2-OD2 3.2Å; R154-D179 PolarHBondContact NH2-OD2 3.35Å |
| 155 | N | 92.3 | Very high | 94.7 | Very high | 111 Ų | 111 | 65.2 Ų | 65.2 | 59% | 0.594 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105 | -5.2 | -170.3 | -66 | -28.3 | 0 | 0 | 0 | 114 | N153 F157 A158 | N153-N155 PolarHBondContact O-N 3Å; N155-F157 PolarHBondContact O-N 3.31Å; N155-A158 HydrophobicContact CB-CB 4.33Å; N155-A158 WeakPolarHBondContact O-CB 3.12Å; N155-A158 PolarHBondContact O-N 3.35Å; N155-A158 VanDerWaalsContact O-N 3.1Å |
| 156 | D | 93.3 | Very high | 94.8 | Very high | 30 Ų | 30 | 61.3 Ų | 61.3 | 16% | 0.16 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -34.9 | -176.1 | -68.3 | -2.8 | 0 | 0 | 0 | 111.7 | V132 I152 N153 | V132-D156 HydrophobicContact CB-CB 3.97Å; V132-D156 HydrophobicContact CG1-CB 4.15Å; V132-D156 HydrophobicContact CG2-CB 4.33Å; I152-D156 WeakPolarHBondContact CA-OD2 3.48Å; I152-D156 HydrophobicContact CG2-CB 4.46Å; N153-D156 WeakPolarHBondContact CB-OD1 3.43Å; N153-D156 PolarHBondContact N-OD2 2.85Å; N153-D156 PolarHBondContact ND2-OD1 3.48Å; N153-D156 PolarHBondContact ND2-OD2 2.9Å; N153-D156 PolarHBondContact O-N 3.47Å |
| 157 | F | 93.8 | Very high | 94.8 | Very high | 2 Ų | 2 | 55.7 Ų | 55.7 | 1% | 0.009 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.8 | 14.3 | 176.1 | -55.8 | -70.1 | 0 | 0 | 0 | 113.4 | V132 L135 F142 I152 N155 L160 L163 I166 L168 F181 L184 | V132-F157 HydrophobicContact CG1-CE1 3.89Å; V132-F157 HydrophobicContact CG1-CZ 3.94Å; V132-F157 HydrophobicContact CG2-CE2 4.42Å; V132-F157 HydrophobicContact CG2-CZ 3.98Å; L135-F157 HydrophobicContact CD1-CD1 4.01Å; L135-F157 HydrophobicContact CD1-CE1 3.94Å; F142-F157 AromaticContact CD1-CE1 3.72Å; F142-F157 HydrophobicContact CD1-CE1 3.72Å; F142-F157 HydrophobicContact CD1-CZ 4.3Å; F142-F157 AromaticContact CE1-CE1 3.84Å; F142-F157 HydrophobicContact CE1-CE1 3.84Å; F142-F157 HydrophobicContact CE1-CZ 4.14Å; I152-F157 HydrophobicContact CD1-CE2 4.39Å; I152-F157 HydrophobicContact CG2-CD2 4.06Å; I152-F157 HydrophobicContact CG2-CE2 3.67Å; N155-F157 PolarHBondContact O-N 3.31Å; F157-L160 HydrophobicContact CB-CD1 4.22Å; F157-L160 HydrophobicContact CD1-CD1 4.03Å; F157-L163 HydrophobicContact CD1-CD2 3.94Å; F157-I166 HydrophobicContact CD1-CD1 4.1Å; F157-I166 HydrophobicContact CD2-CD1 4.41Å; F157-I166 HydrophobicContact CE1-CD1 4.11Å; F157-I166 HydrophobicContact CE1-CG1 4.46Å; F157-I166 HydrophobicContact CE2-CD1 4.41Å; F157-I166 HydrophobicContact CG-CD1 4.26Å; F157-I166 HydrophobicContact CZ-CD1 4.26Å; F157-I166 HydrophobicContact CZ-CG2 4.26Å; F157-L168 HydrophobicContact CZ-CD1 4.31Å; F157-F181 HydrophobicContact CD2-CD1 4.08Å; F157-F181 AromaticContact CD2-CE1 3.69Å; F157-F181 HydrophobicContact CD2-CE1 3.69Å; F157-F181 HydrophobicContact CE2-CD1 4.46Å; F157-F181 AromaticContact CE2-CE1 3.63Å; F157-F181 HydrophobicContact CE2-CE1 3.63Å; F157-F181 HydrophobicContact CE2-CZ 4.41Å; F157-L184 HydrophobicContact CB-CD1 4.09Å; F157-L184 HydrophobicContact CB-CD2 4.19Å; F157-L184 WeakPolarHBondContact O-CD2 3.26Å |
| 158 | A | 88.4 | Confident | 94.9 | Very high | 23 Ų | 23 | 55.5 Ų | 55.5 | 19% | 0.19 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | 141.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | N155 L160 | N155-A158 HydrophobicContact CB-CB 4.33Å; N155-A158 WeakPolarHBondContact O-CB 3.12Å; N155-A158 PolarHBondContact O-N 3.35Å; N155-A158 VanDerWaalsContact O-N 3.1Å; A158-L160 VanDerWaalsContact C-N 3.26Å; A158-L160 PolarHBondContact O-N 2.66Å |
| 159 | N | 84.7 | Confident | 94.9 | Very high | 122 Ų | 122 | 50.1 Ų | 50.1 | 65% | 0.652 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 65.5 | 19 | 177.3 | -48.5 | -43.7 | 0 | 0 | 0 | 115.3 | S161 | N159-S161 PolarHBondContact O-N 3.17Š|
| 160 | L | 92.2 | Very high | 95 | Very high | 6 Ų | 6 | 51 Ų | 51 | 3% | 0.031 | 25% | 0.245 | C | C | . | . | trans | -94.3 | 75.4 | 172.9 | -58.9 | 177.3 | 0 | 0 | 0 | 110.7 | L135 P136 F157 A158 N162 L163 L184 | L135-L160 HydrophobicContact CB-CD1 3.96Å; L135-L160 HydrophobicContact CB-CD2 4.2Å; L135-L160 HydrophobicContact CD1-CD1 3.7Å; L135-L160 HydrophobicContact CG-CD1 4.39Å; P136-L160 WeakPolarHBondContact O-CD2 3.48Å; F157-L160 HydrophobicContact CB-CD1 4.22Å; F157-L160 HydrophobicContact CD1-CD1 4.03Å; A158-L160 VanDerWaalsContact C-N 3.26Å; A158-L160 PolarHBondContact O-N 2.66Å; L160-N162 PolarHBondContact O-N 2.89Å; L160-L163 HydrophobicContact CB-CB 4.04Å; L160-L163 HydrophobicContact CB-CD2 4.32Å; L160-L163 HydrophobicContact CD1-CD2 3.96Å; L160-L163 PolarHBondContact O-N 2.67Å; L160-L184 HydrophobicContact CB-CD2 4.14Å; L160-L184 WeakPolarHBondContact O-CD2 3.4Å | ||
| 161 | S | 91.9 | Very high | 95.1 | Very high | 62 Ų | 62 | 43.1 Ų | 43.1 | 43% | 0.434 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | -19.3 | -173.4 | 61.6 | 0 | 0 | 0 | 0 | 114.8 | N159 Q186 | N159-S161 PolarHBondContact O-N 3.17Å; S161-Q186 WeakPolarHBondContact O-CG 3.29Å; S161-Q186 PolarHBondContact O-OE1 2.9Å |
| 162 | N | 94.5 | Very high | 95.1 | Very high | 53 Ų | 53 | 40.6 Ų | 40.6 | 28% | 0.283 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | 2.4 | -176 | -56.7 | -59.2 | 0 | 0 | 0 | 113.4 | M140 L160 K164 | M140-N162 WeakPolarHBondContact CA-O 3.3Å; M140-N162 HydrophobicContact CE-CB 4.44Å; M140-N162 HydrophobicContact CG-CB 4.03Å; M140-N162 WeakPolarHBondContact CG-O 3.39Å; L160-N162 PolarHBondContact O-N 2.89Å; N162-K164 PolarHBondContact O-N 2.98Å |
| 163 | L | 97 | Very high | 95.2 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.208 | C | C | . | . | trans | -70.6 | 118.8 | -174.5 | -164.7 | 67.5 | 0 | 0 | 0 | 109.7 | T139 F142 F157 L160 I166 L184 Q186 L187 | T139-L163 HydrophobicContact CG2-CD1 3.98Å; F142-L163 HydrophobicContact CB-CD1 4.19Å; F157-L163 HydrophobicContact CD1-CD2 3.94Å; L160-L163 HydrophobicContact CB-CB 4.04Å; L160-L163 HydrophobicContact CB-CD2 4.32Å; L160-L163 HydrophobicContact CD1-CD2 3.96Å; L160-L163 PolarHBondContact O-N 2.67Å; L163-I166 HydrophobicContact CD2-CD1 3.59Å; L163-I166 HydrophobicContact CD2-CG1 3.6Å; L163-I166 HydrophobicContact CG-CD1 4.48Å; L163-I166 HydrophobicContact CG-CG1 4.08Å; L163-L184 HydrophobicContact CB-CD2 4.42Å; L163-L184 HydrophobicContact CD2-CD1 4.21Å; L163-L184 HydrophobicContact CD2-CD2 4.25Å; L163-Q186 CarbonylContact O-C 3.23Å; L163-L187 HydrophobicContact CG-CD1 4.46Å; L163-L187 VanDerWaalsContact O-CA 3.29Å; L163-L187 WeakPolarHBondContact O-CA 3.28Å; L163-L187 PolarHBondContact O-N 3.15Å | ||
| 164 | K | 97.8 | Very high | 95.2 | Very high | 62 Ų | 62 | 38.6 Ų | 38.6 | 27% | 0.27 | 20% | 0.2 | S | C | . | . | trans | -104.8 | -34.9 | -178.3 | -65 | -173.3 | 178.7 | -176.2 | 0 | 112.8 | M140 Y141 N162 Q186 Q188 E189 | M140-K164 PolarHBondContact O-N 2.91Å; Y141-K164 HydrophobicContact CE1-CB 4.42Å; N162-K164 PolarHBondContact O-N 2.98Å; K164-Q186 WeakPolarHBondContact CA-O 3.2Å; K164-Q188 PolarHBondContact O-N 2.75Å; K164-E189 PolarHBondContact O-N 2.93Å | ||
| 165 | R | 98.1 | Very high | 95.3 | Very high | 63 Ų | 63 | 37.7 Ų | 37.7 | 24% | 0.238 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 134.9 | -177.1 | -179.4 | 168.5 | 179.5 | 142.1 | 9.6 | 111.9 | M140 Y141 F142 E189 | M140-R165 PolarHBondContact O-N 2.98Å; Y141-R165 HydrophobicContact CD1-CB 3.74Å; Y141-R165 HydrophobicContact CE1-CB 4.32Å; F142-R165 PolarHBondContact N-O 3.31Å; R165-E189 WeakPolarHBondContact CA-O 3.21Å; R165-E189 HydrophobicContact CB-CB 4.14Å; R165-E189 WeakPolarHBondContact CD-OE2 3.19Å; R165-E189 HydrophobicContact CG-CB 3.88Å; R165-E189 IonicContact CZ-OE2 3.83Å; R165-E189 IonicContact NE-OE2 2.77Å; R165-E189 PolarHBondContact NE-OE2 3.09Å; R165-E189 IonicContact NH1-OE1 3.98Å; R165-E189 IonicContact NH1-OE2 3.76Å; R165-E189 PolarHBondContact NH1-OE2 3.15Å; R165-E189 IonicContact NH2-OE2 3.71Å |
| 166 | I | 98.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 123.9 | 170.3 | -62.9 | 170.7 | 0 | 0 | 0 | 107.9 | F142 F157 L163 L168 F181 L184 L187 E189 L190 V191 | F142-I166 HydrophobicContact CD1-CG2 4.38Å; F157-I166 HydrophobicContact CD1-CD1 4.1Å; F157-I166 HydrophobicContact CD2-CD1 4.41Å; F157-I166 HydrophobicContact CE1-CD1 4.11Å; F157-I166 HydrophobicContact CE1-CG1 4.46Å; F157-I166 HydrophobicContact CE2-CD1 4.41Å; F157-I166 HydrophobicContact CG-CD1 4.26Å; F157-I166 HydrophobicContact CZ-CD1 4.26Å; F157-I166 HydrophobicContact CZ-CG2 4.26Å; L163-I166 HydrophobicContact CD2-CD1 3.59Å; L163-I166 HydrophobicContact CD2-CG1 3.6Å; L163-I166 HydrophobicContact CG-CD1 4.48Å; L163-I166 HydrophobicContact CG-CG1 4.08Å; I166-L168 HydrophobicContact CG2-CD1 3.93Å; I166-L168 HydrophobicContact CG2-CG 3.81Å; I166-F181 HydrophobicContact CD1-CD1 3.96Å; I166-F181 HydrophobicContact CD1-CE1 3.84Å; I166-L184 HydrophobicContact CD1-CD1 4.04Å; I166-L187 HydrophobicContact CD1-CD1 3.79Å; I166-L187 HydrophobicContact CD1-CD2 4.25Å; I166-L187 HydrophobicContact CG1-CD1 3.8Å; I166-E189 PolarHBondContact N-O 2.96Å; I166-L190 HydrophobicContact CB-CD1 4.08Å; I166-L190 HydrophobicContact CG2-CD1 4.17Å; I166-V191 PolarHBondContact O-N 2.83Å |
| 167 | D | 98.5 | Very high | 95.7 | Very high | 9 Ų | 9 | 36.2 Ų | 36.2 | 5% | 0.048 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 110.3 | 173.1 | -171.1 | -17 | 0 | 0 | 0 | 110.3 | F142 Y143 S144 R145 T169 V191 | F142-D167 PolarHBondContact O-N 3.38Å; Y143-D167 HydrophobicContact CD1-CB 3.64Å; Y143-D167 HydrophobicContact CE1-CB 4.14Å; S144-D167 PolarHBondContact N-O 2.89Å; R145-D167 WeakPolarHBondContact CG-OD1 3.28Å; D167-T169 VanDerWaalsContact OD1-CB 3.3Å; D167-T169 WeakPolarHBondContact OD1-CB 3.33Å; D167-T169 PolarHBondContact OD1-N 3.29Å; D167-T169 PolarHBondContact OD1-OG1 2.97Å; D167-V191 HydrophobicContact CB-CB 4.33Å |
| 168 | L | 98.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.211 | C | C | . | . | trans | -119.7 | 32.2 | 178.2 | -58.1 | 172.9 | 0 | 0 | 0 | 111 | F142 I149 I152 F157 I166 N171 I173 V191 L192 N195 | F142-L168 HydrophobicContact CD1-CD2 4.39Å; F142-L168 HydrophobicContact CE1-CD2 3.74Å; F142-L168 HydrophobicContact CZ-CD2 4.37Å; I149-L168 HydrophobicContact CD1-CD2 4.12Å; I152-L168 HydrophobicContact CD1-CD1 3.6Å; I152-L168 HydrophobicContact CG1-CD1 4.44Å; F157-L168 HydrophobicContact CZ-CD1 4.31Å; I166-L168 HydrophobicContact CG2-CD1 3.93Å; I166-L168 HydrophobicContact CG2-CG 3.81Å; L168-N171 PolarHBondContact O-ND2 3.4Å; L168-I173 HydrophobicContact CB-CD1 3.76Å; L168-I173 HydrophobicContact CD1-CD1 3.79Å; L168-I173 HydrophobicContact CG-CD1 4.37Å; L168-V191 PolarHBondContact N-O 3.04Å; L168-L192 HydrophobicContact CB-CD2 4.03Å; L168-L192 HydrophobicContact CD1-CD2 3.93Å; L168-L192 HydrophobicContact CG-CD2 4.4Å; L168-N195 PolarHBondContact O-ND2 2.73Å | ||
| 169 | T | 98.5 | Very high | 95.9 | Very high | 7 Ų | 7 | 40.9 Ų | 40.9 | 4% | 0.043 | 21% | 0.209 | C | C | . | . | trans | -52.8 | 142.8 | 179 | -59.8 | 0 | 0 | 0 | 0 | 111.9 | R145 Y146 D167 N171 V191 R193 | R145-T169 CarbonylContact C-O 3.59Å; R145-T169 WeakPolarHBondContact CA-O 3.17Å; Y146-T169 PolarHBondContact N-O 3.18Å; D167-T169 VanDerWaalsContact OD1-CB 3.3Å; D167-T169 WeakPolarHBondContact OD1-CB 3.33Å; D167-T169 PolarHBondContact OD1-N 3.29Å; D167-T169 PolarHBondContact OD1-OG1 2.97Å; T169-N171 PolarHBondContact O-N 3.41Å; T169-N171 PolarHBondContact O-ND2 2.96Å; T169-V191 WeakPolarHBondContact OG1-CG1 3.21Å; T169-R193 CarbonylContact C-O 3.01Å; T169-R193 VanDerWaalsContact CA-O 3.28Å; T169-R193 WeakPolarHBondContact CA-O 3.37Å; T169-R193 HydrophobicContact CG2-CB 4.13Å | ||
| 170 | A | 98.1 | Very high | 96.4 | Very high | 19 Ų | 19 | 35.3 Ų | 35.3 | 16% | 0.157 | 18% | 0.18 | C | C | . | . | S | Bend | trans | 56 | 53.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y146 R193 E194 | Y146-A170 VanDerWaalsContact CA-O 3.22Å; Y146-A170 WeakPolarHBondContact CA-O 3.43Å; Y146-A170 HydrophobicContact CD1-CB 3.38Å; Y146-A170 HydrophobicContact CE1-CB 3.52Å; Y146-A170 HydrophobicContact CG-CB 4.25Å; Y146-A170 PolarHBondContact N-O 3.38Å; A170-R193 PolarHBondContact N-O 2.58Å; A170-E194 VanDerWaalsContact CA-O 3.26Å; A170-E194 WeakPolarHBondContact CA-O 3.07Å; A170-E194 HydrophobicContact CB-CB 4.29Å; A170-E194 PolarHBondContact N-O 3.3Å |
| 171 | N | 98.3 | Very high | 96.5 | Very high | 4 Ų | 4 | 35 Ų | 35 | 2% | 0.021 | 18% | 0.178 | C | C | . | . | trans | -114.5 | -171.8 | 170.3 | -85.8 | -89.1 | 0 | 0 | 0 | 109.6 | S144 N147 I149 L168 T169 I173 E194 N195 | S144-N171 PolarHBondContact O-ND2 3.1Å; N147-N171 WeakPolarHBondContact CA-OD1 2.88Å; N147-N171 WeakPolarHBondContact CB-OD1 3.42Å; N147-N171 PolarHBondContact O-OD1 2.92Å; I149-N171 HydrophobicContact CB-CB 4.38Å; I149-N171 WeakPolarHBondContact CB-OD1 3.03Å; I149-N171 WeakPolarHBondContact CG1-OD1 3.32Å; I149-N171 PolarHBondContact N-OD1 3.33Å; I149-N171 VanDerWaalsContact N-OD1 3.09Å; L168-N171 PolarHBondContact O-ND2 3.4Å; T169-N171 PolarHBondContact O-N 3.41Å; T169-N171 PolarHBondContact O-ND2 2.96Å; N171-I173 HydrophobicContact CB-CD1 4.01Å; N171-I173 HydrophobicContact CB-CG1 3.98Å; N171-E194 PolarHBondContact N-O 2.96Å; N171-N195 VanDerWaalsContact CA-OD1 3.3Å; N171-N195 WeakPolarHBondContact CA-OD1 3.35Å; N171-N195 WeakPolarHBondContact CB-OD1 3.35Å; N171-N195 PolarHBondContact N-OD1 3.29Å; N171-N195 PolarHBondContact O-OD1 3.48Å | ||
| 172 | F | 97.9 | Very high | 96.3 | Very high | 81 Ų | 81 | 39.1 Ų | 39.1 | 36% | 0.355 | 18% | 0.184 | S | C | . | . | trans | -110.9 | 30.3 | 176.4 | -59.3 | -58.8 | 0 | 0 | 0 | 112.2 | R148 I149 R150 S174 | R148-F172 HydrophobicContact CB-CD2 4.15Å; R148-F172 HydrophobicContact CB-CE2 4.34Å; R148-F172 HydrophobicContact CG-CD2 4.41Å; R148-F172 HydrophobicContact CG-CE2 4.09Å; I149-F172 CarbonylContact O-C 3.56Å; I149-F172 WeakPolarHBondContact O-CA 3.39Å; I149-F172 PolarHBondContact O-N 2.98Å; R150-F172 WeakPolarHBondContact CA-O 3.29Å; R150-F172 HydrophobicContact CG-CB 4.25Å; F172-S174 PolarHBondContact O-N 3.3Å; F172-S174 VanDerWaalsContact O-N 3.14Å | ||
| 173 | I | 98.3 | Very high | 96 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 19% | 0.193 | C | C | . | . | trans | -66.1 | 117.2 | -172.9 | -60 | 159.4 | 0 | 0 | 0 | 108.7 | I149 R150 I152 L168 N171 I176 L192 N195 R196 I197 | I149-I173 HydrophobicContact CB-CG1 4.29Å; I149-I173 HydrophobicContact CG2-CG1 4.03Å; I149-I173 WeakPolarHBondContact O-CG1 3Å; I149-I173 PolarHBondContact O-N 3.3Å; R150-I173 WeakPolarHBondContact O-CA 3.12Å; I152-I173 HydrophobicContact CD1-CD1 4.1Å; I152-I173 HydrophobicContact CD1-CG2 4.32Å; I152-I173 HydrophobicContact CG1-CD1 4.46Å; I152-I173 HydrophobicContact CG1-CG2 4.28Å; L168-I173 HydrophobicContact CB-CD1 3.76Å; L168-I173 HydrophobicContact CD1-CD1 3.79Å; L168-I173 HydrophobicContact CG-CD1 4.37Å; N171-I173 HydrophobicContact CB-CD1 4.01Å; N171-I173 HydrophobicContact CB-CG1 3.98Å; I173-I176 HydrophobicContact CG2-CD1 4.05Å; I173-I176 HydrophobicContact CG2-CG1 3.66Å; I173-L192 HydrophobicContact CD1-CD2 4.25Å; I173-N195 HydrophobicContact CB-CB 4.31Å; I173-N195 VanDerWaalsContact CB-OD1 3.3Å; I173-N195 WeakPolarHBondContact CB-OD1 3.28Å; I173-N195 WeakPolarHBondContact CD1-OD1 3.43Å; I173-N195 WeakPolarHBondContact CG1-OD1 3.37Å; I173-N195 PolarHBondContact N-OD1 3.43Å; I173-R196 CarbonylContact O-C 3.56Å; I173-R196 VanDerWaalsContact O-CA 3.31Å; I173-R196 WeakPolarHBondContact O-CA 3.24Å; I173-R196 PolarHBondContact O-N 3.2Å; I173-I197 HydrophobicContact CB-CG1 4.4Å; I173-I197 HydrophobicContact CG2-CG1 4.13Å; I173-I197 WeakPolarHBondContact O-CG1 3.49Å; I173-I197 PolarHBondContact O-N 3.22Å; I173-I197 VanDerWaalsContact O-N 3.14Å | ||
| 174 | S | 96.4 | Very high | 95.8 | Very high | 42 Ų | 42 | 42.7 Ų | 42.7 | 29% | 0.294 | 19% | 0.194 | S | C | . | . | trans | -114.9 | -25.3 | 178.3 | 60.9 | 0 | 0 | 0 | 0 | 113.3 | R150 F172 | R150-S174 PolarHBondContact O-N 2.83Å; F172-S174 PolarHBondContact O-N 3.3Å; F172-S174 VanDerWaalsContact O-N 3.14Å | ||
| 175 | E | 95.4 | Very high | 95.6 | Very high | 96 Ų | 96 | 43.6 Ų | 43.6 | 45% | 0.449 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 129.4 | -177.9 | -63.3 | 166.7 | -140.5 | 0 | 0 | 109.7 | R151 I152 | R151-E175 VanDerWaalsContact CA-O 3.3Å; R151-E175 WeakPolarHBondContact CA-O 3.39Å; R151-E175 HydrophobicContact CG-CB 4.17Å; R151-E175 IonicContact CZ-OE1 2.59Å; R151-E175 IonicContact CZ-OE2 3.48Å; R151-E175 VanDerWaalsContact CZ-OE2 3.27Å; R151-E175 IonicContact NE-OE1 2.75Å; R151-E175 PolarHBondContact NE-OE1 3.34Å; R151-E175 IonicContact NE-OE2 3.94Å; R151-E175 PolarHBondContact NE-OE2 3.2Å; R151-E175 IonicContact NH2-OE1 3.88Å; R151-E175 PolarHBondContact NH2-OE1 3.23Å; R151-E175 IonicContact NH2-OE2 3.09Å; R151-E175 PolarHBondContact NH2-OE2 2.95Å; I152-E175 PolarHBondContact N-O 3.22Å |
| 176 | I | 96.9 | Very high | 95.5 | Very high | 25 Ų | 25 | 44.6 Ų | 44.6 | 13% | 0.128 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 128.8 | 175.2 | -56 | 175.1 | 0 | 0 | 0 | 107 | I152 I173 A180 F181 L192 I197 P201 | I152-I176 HydrophobicContact CB-CG1 4.39Å; I152-I176 HydrophobicContact CB-CG2 4.11Å; I152-I176 HydrophobicContact CD1-CD1 4.32Å; I152-I176 HydrophobicContact CD1-CG1 4.19Å; I152-I176 HydrophobicContact CG1-CG1 4.49Å; I152-I176 HydrophobicContact CG2-CG2 4.36Å; I173-I176 HydrophobicContact CG2-CD1 4.05Å; I173-I176 HydrophobicContact CG2-CG1 3.66Å; I176-A180 HydrophobicContact CG2-CB 3.96Å; I176-F181 HydrophobicContact CG2-CE2 3.89Å; I176-F181 HydrophobicContact CG2-CZ 4.4Å; I176-L192 HydrophobicContact CD1-CD1 3.99Å; I176-I197 HydrophobicContact CD1-CD1 3.77Å; I176-I197 HydrophobicContact CD1-CG1 4.03Å; I176-I197 HydrophobicContact CD1-CG2 4.26Å; I176-P201 HydrophobicContact CB-CG 4.48Å; I176-P201 HydrophobicContact CG2-CB 3.88Å; I176-P201 HydrophobicContact CG2-CG 3.73Å |
| 177 | H | 96.4 | Very high | 95.5 | Very high | 84 Ų | 84 | 44.6 Ų | 44.6 | 39% | 0.389 | 21% | 0.213 | S | C | . | . | trans | -65.2 | 139 | 175.5 | -171.7 | -70.6 | 0 | 0 | 0 | 110.8 | I152 R154 D179 A180 | I152-H177 PolarHBondContact O-N 3.29Å; R154-H177 HydrophobicContact CB-CB 4.48Å; H177-D179 PolarHBondContact ND1-N 2.96Å; H177-D179 VanDerWaalsContact ND1-N 3.19Å; H177-D179 PolarHBondContact O-N 3.31Å; H177-A180 HydrophobicContact CB-CB 4.34Å; H177-A180 WeakPolarHBondContact O-CB 3.3Å; H177-A180 PolarHBondContact O-N 3.01Å | ||
| 178 | E | 93.7 | Very high | 95.4 | Very high | 96 Ų | 96 | 48 Ų | 48 | 45% | 0.449 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | -46.7 | -175 | -173 | 176.4 | -176.9 | 0 | 0 | 113.4 | A180 P201 E202 R223 | E178-A180 VanDerWaalsContact C-N 3.35Å; E178-A180 PolarHBondContact O-N 3.47Å; E178-P201 WeakPolarHBondContact O-CB 3.43Å; E178-E202 HydrophobicContact CG-CG 3.99Å; E178-E202 PolarHBondContact O-N 2.95Å; E178-R223 IonicContact OE1-CZ 3.38Å; E178-R223 IonicContact OE1-NH1 2.77Å; E178-R223 PolarHBondContact OE1-NH1 3Å; E178-R223 IonicContact OE1-NH2 3.43Å |
| 179 | D | 93.1 | Very high | 95.5 | Very high | 27 Ų | 27 | 50.3 Ų | 50.3 | 14% | 0.144 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | 5.9 | 177.9 | -82.6 | -28 | 0 | 0 | 0 | 115.5 | R154 H177 F181 R182 | R154-D179 HydrophobicContact CG-CB 4.06Å; R154-D179 IonicContact CZ-OD2 2.94Å; R154-D179 IonicContact NE-OD2 2.73Å; R154-D179 PolarHBondContact NE-OD2 3.05Å; R154-D179 IonicContact NH2-OD2 3.2Å; R154-D179 PolarHBondContact NH2-OD2 3.35Å; H177-D179 PolarHBondContact ND1-N 2.96Å; H177-D179 VanDerWaalsContact ND1-N 3.19Å; H177-D179 PolarHBondContact O-N 3.31Å; D179-F181 VanDerWaalsContact C-N 3.32Å; D179-F181 PolarHBondContact O-N 2.94Å; D179-R182 PolarHBondContact O-N 3.42Å; D179-R182 WeakPolarHBondContact OD1-CD 3.47Å; D179-R182 IonicContact OD1-NH1 3.61Å; D179-R182 PolarHBondContact OD1-NH1 2.97Å |
| 180 | A | 95.1 | Very high | 95.5 | Very high | 5 Ų | 5 | 50 Ų | 50 | 4% | 0.041 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -39.4 | -168.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | I152 I176 H177 E178 | I152-A180 HydrophobicContact CG2-CB 3.84Å; I176-A180 HydrophobicContact CG2-CB 3.96Å; H177-A180 HydrophobicContact CB-CB 4.34Å; H177-A180 WeakPolarHBondContact O-CB 3.3Å; H177-A180 PolarHBondContact O-N 3.01Å; E178-A180 VanDerWaalsContact C-N 3.35Å; E178-A180 PolarHBondContact O-N 3.47Å |
| 181 | F | 94.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.6 | -8.2 | -177.5 | -54 | -59.2 | 0 | 0 | 0 | 114 | I152 F157 I166 I176 D179 R183 L184 L187 L190 P201 | I152-F181 HydrophobicContact CD1-CZ 3.81Å; I152-F181 HydrophobicContact CG2-CZ 4.46Å; F157-F181 HydrophobicContact CD2-CD1 4.08Å; F157-F181 AromaticContact CD2-CE1 3.69Å; F157-F181 HydrophobicContact CD2-CE1 3.69Å; F157-F181 HydrophobicContact CE2-CD1 4.46Å; F157-F181 AromaticContact CE2-CE1 3.63Å; F157-F181 HydrophobicContact CE2-CE1 3.63Å; F157-F181 HydrophobicContact CE2-CZ 4.41Å; I166-F181 HydrophobicContact CD1-CD1 3.96Å; I166-F181 HydrophobicContact CD1-CE1 3.84Å; I176-F181 HydrophobicContact CG2-CE2 3.89Å; I176-F181 HydrophobicContact CG2-CZ 4.4Å; D179-F181 VanDerWaalsContact C-N 3.32Å; D179-F181 PolarHBondContact O-N 2.94Å; F181-R183 VanDerWaalsContact C-N 3.26Å; F181-R183 PolarHBondContact O-N 3.32Å; F181-R183 VanDerWaalsContact O-N 3.16Å; F181-L184 HydrophobicContact CB-CD1 4.26Å; F181-L184 HydrophobicContact CD1-CD1 3.99Å; F181-L184 WeakPolarHBondContact O-CB 3.28Å; F181-L184 PolarHBondContact O-N 3.49Å; F181-L187 HydrophobicContact CB-CD2 4.38Å; F181-L190 HydrophobicContact CD2-CD2 4.07Å; F181-L190 HydrophobicContact CE1-CD1 4.15Å; F181-L190 HydrophobicContact CE2-CD1 4.29Å; F181-L190 HydrophobicContact CE2-CD2 3.99Å; F181-L190 HydrophobicContact CZ-CD1 3.95Å; F181-L190 HydrophobicContact CZ-CD2 4.49Å; F181-P201 HydrophobicContact CD2-CB 4.47Å; F181-P201 HydrophobicContact CD2-CG 3.54Å; F181-P201 HydrophobicContact CE2-CG 3.73Å |
| 182 | R | 88.6 | Confident | 95.5 | Very high | 148 Ų | 148 | 49.3 Ų | 49.3 | 56% | 0.558 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -33.3 | -171.9 | -173.5 | 179.2 | 177.1 | -157 | 2.3 | 114 | D179 L184 E202 | D179-R182 PolarHBondContact O-N 3.42Å; D179-R182 WeakPolarHBondContact OD1-CD 3.47Å; D179-R182 IonicContact OD1-NH1 3.61Å; D179-R182 PolarHBondContact OD1-NH1 2.97Å; R182-L184 PolarHBondContact O-N 3.11Å; R182-E202 WeakPolarHBondContact CD-OE2 3.32Å; R182-E202 IonicContact NE-OE2 3.41Å |
| 183 | R | 86.6 | Confident | 95.5 | Very high | 126 Ų | 126 | 49.1 Ų | 49.1 | 48% | 0.475 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | 26 | -175.8 | -66.9 | -174.7 | -69.3 | 168.3 | -1 | 113.7 | F181 P185 | F181-R183 VanDerWaalsContact C-N 3.26Å; F181-R183 PolarHBondContact O-N 3.32Å; F181-R183 VanDerWaalsContact O-N 3.16Å; R183-P185 VanDerWaalsContact O-CD 3.31Å; R183-P185 WeakPolarHBondContact O-CD 3.2Å |
| 184 | L | 94.3 | Very high | 95.5 | Very high | 3 Ų | 3 | 52.7 Ų | 52.7 | 2% | 0.016 | 25% | 0.246 | C | C | . | . | trans | -108.4 | 91.9 | 179.1 | -61.5 | 174.1 | 0 | 0 | 0 | 110 | F157 L160 L163 I166 F181 R182 Q186 L187 | F157-L184 HydrophobicContact CB-CD1 4.09Å; F157-L184 HydrophobicContact CB-CD2 4.19Å; F157-L184 WeakPolarHBondContact O-CD2 3.26Å; L160-L184 HydrophobicContact CB-CD2 4.14Å; L160-L184 WeakPolarHBondContact O-CD2 3.4Å; L163-L184 HydrophobicContact CB-CD2 4.42Å; L163-L184 HydrophobicContact CD2-CD1 4.21Å; L163-L184 HydrophobicContact CD2-CD2 4.25Å; I166-L184 HydrophobicContact CD1-CD1 4.04Å; F181-L184 HydrophobicContact CB-CD1 4.26Å; F181-L184 HydrophobicContact CD1-CD1 3.99Å; F181-L184 WeakPolarHBondContact O-CB 3.28Å; F181-L184 PolarHBondContact O-N 3.49Å; R182-L184 PolarHBondContact O-N 3.11Å; L184-Q186 PolarHBondContact O-N 3.02Å; L184-Q186 VanDerWaalsContact O-N 3.15Å; L184-L187 HydrophobicContact CB-CB 3.81Å; L184-L187 HydrophobicContact CD1-CB 4.48Å; L184-L187 HydrophobicContact CD1-CD2 3.9Å; L184-L187 PolarHBondContact O-N 2.95Å | ||
| 185 | P | 93 | Very high | 95.6 | Very high | 81 Ų | 81 | 51.2 Ų | 51.2 | 53% | 0.526 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75 | -3.5 | -168.6 | 32.3 | -38.2 | 0 | 0 | 0 | 114.4 | R183 T206 | R183-P185 VanDerWaalsContact O-CD 3.31Å; R183-P185 WeakPolarHBondContact O-CD 3.2Å; P185-T206 WeakPolarHBondContact O-CG2 3.5Å |
| 186 | Q | 95.9 | Very high | 95.7 | Very high | 83 Ų | 83 | 52.2 Ų | 52.2 | 39% | 0.388 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -129.5 | 9.6 | -178.2 | -64.3 | -164.4 | -33.4 | 0 | 0 | 112.5 | S161 L163 K164 L184 Q188 | S161-Q186 WeakPolarHBondContact O-CG 3.29Å; S161-Q186 PolarHBondContact O-OE1 2.9Å; L163-Q186 CarbonylContact O-C 3.23Å; K164-Q186 WeakPolarHBondContact CA-O 3.2Å; L184-Q186 PolarHBondContact O-N 3.02Å; L184-Q186 VanDerWaalsContact O-N 3.15Å; Q186-Q188 PolarHBondContact O-N 3.44Å |
| 187 | L | 97.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 23% | 0.228 | C | C | . | . | trans | -71.4 | 119.1 | -177.7 | -172.2 | 72.1 | 0 | 0 | 0 | 109.5 | L163 I166 F181 L184 P204 T206 L207 | L163-L187 HydrophobicContact CG-CD1 4.46Å; L163-L187 VanDerWaalsContact O-CA 3.29Å; L163-L187 WeakPolarHBondContact O-CA 3.28Å; L163-L187 PolarHBondContact O-N 3.15Å; I166-L187 HydrophobicContact CD1-CD1 3.79Å; I166-L187 HydrophobicContact CD1-CD2 4.25Å; I166-L187 HydrophobicContact CG1-CD1 3.8Å; F181-L187 HydrophobicContact CB-CD2 4.38Å; L184-L187 HydrophobicContact CB-CB 3.81Å; L184-L187 HydrophobicContact CD1-CB 4.48Å; L184-L187 HydrophobicContact CD1-CD2 3.9Å; L184-L187 PolarHBondContact O-N 2.95Å; L187-P204 HydrophobicContact CB-CG 4.19Å; L187-P204 HydrophobicContact CD2-CG 3.99Å; L187-T206 PolarHBondContact N-OG1 3.49Å; L187-T206 CarbonylContact O-C 3.1Å; L187-T206 WeakPolarHBondContact O-CB 3.49Å; L187-T206 VanDerWaalsContact O-O 3.12Å; L187-T206 PolarHBondContact O-OG1 3.02Å; L187-L207 HydrophobicContact CD2-CD2 3.92Å; L187-L207 HydrophobicContact CG-CD2 3.83Å; L187-L207 PolarHBondContact O-N 2.59Å | ||
| 188 | Q | 97.9 | Very high | 95.7 | Very high | 81 Ų | 81 | 55 Ų | 55 | 38% | 0.379 | 24% | 0.24 | S | C | . | . | trans | -108.3 | -38.3 | -177.3 | -70.2 | 173.7 | -21.2 | 0 | 0 | 111.1 | K164 Q186 L207 T208 L209 | K164-Q188 PolarHBondContact O-N 2.75Å; Q186-Q188 PolarHBondContact O-N 3.44Å; Q188-L207 CarbonylContact O-C 3.19Å; Q188-L207 WeakPolarHBondContact O-CA 3.22Å; Q188-L207 WeakPolarHBondContact O-CD2 3.26Å; Q188-T208 PolarHBondContact O-N 2.87Å; Q188-T208 PolarHBondContact O-OG1 3.22Å; Q188-T208 VanDerWaalsContact O-OG1 3.11Å; Q188-L209 PolarHBondContact O-N 3.16Å | ||
| 189 | E | 98.5 | Very high | 95.8 | Very high | 48 Ų | 48 | 55.9 Ų | 55.9 | 22% | 0.224 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 123.9 | -173.1 | -59.3 | -175.8 | -144.2 | 0 | 0 | 111.4 | K164 R165 I166 L209 | K164-E189 PolarHBondContact O-N 2.93Å; R165-E189 WeakPolarHBondContact CA-O 3.21Å; R165-E189 HydrophobicContact CB-CB 4.14Å; R165-E189 WeakPolarHBondContact CD-OE2 3.19Å; R165-E189 HydrophobicContact CG-CB 3.88Å; R165-E189 IonicContact CZ-OE2 3.83Å; R165-E189 IonicContact NE-OE2 2.77Å; R165-E189 PolarHBondContact NE-OE2 3.09Å; R165-E189 IonicContact NH1-OE1 3.98Å; R165-E189 IonicContact NH1-OE2 3.76Å; R165-E189 PolarHBondContact NH1-OE2 3.15Å; R165-E189 IonicContact NH2-OE2 3.71Å; I166-E189 PolarHBondContact N-O 2.96Å; E189-L209 HydrophobicContact CG-CB 4.15Å |
| 190 | L | 98.4 | Very high | 95.9 | Very high | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 110.7 | 175.6 | 179.7 | 62 | 0 | 0 | 0 | 109.8 | I166 F181 L192 L203 L207 L209 D211 | I166-L190 HydrophobicContact CB-CD1 4.08Å; I166-L190 HydrophobicContact CG2-CD1 4.17Å; F181-L190 HydrophobicContact CD2-CD2 4.07Å; F181-L190 HydrophobicContact CE1-CD1 4.15Å; F181-L190 HydrophobicContact CE2-CD1 4.29Å; F181-L190 HydrophobicContact CE2-CD2 3.99Å; F181-L190 HydrophobicContact CZ-CD1 3.95Å; F181-L190 HydrophobicContact CZ-CD2 4.49Å; L190-L192 HydrophobicContact CD1-CD1 4.03Å; L190-L192 HydrophobicContact CD1-CD2 4.2Å; L190-L192 HydrophobicContact CD1-CG 3.92Å; L190-L192 HydrophobicContact CD2-CD1 3.96Å; L190-L192 HydrophobicContact CG-CD1 3.94Å; L190-L192 HydrophobicContact CG-CG 4.05Å; L190-L203 HydrophobicContact CD2-CD2 3.79Å; L190-L207 HydrophobicContact CB-CD2 3.87Å; L190-L209 PolarHBondContact N-O 3.24Å; L190-D211 PolarHBondContact O-N 2.71Å |
| 191 | V | 98.6 | Very high | 95.9 | Very high | 8 Ų | 8 | 55.2 Ų | 55.2 | 5% | 0.048 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 112.4 | 178.9 | -174.3 | 0 | 0 | 0 | 0 | 109.2 | I166 D167 L168 T169 R193 L209 D211 | I166-V191 PolarHBondContact O-N 2.83Å; D167-V191 HydrophobicContact CB-CB 4.33Å; L168-V191 PolarHBondContact N-O 3.04Å; T169-V191 WeakPolarHBondContact OG1-CG1 3.21Å; V191-R193 HydrophobicContact CG1-CB 4.23Å; V191-L209 HydrophobicContact CG2-CD2 4.02Å; V191-D211 HydrophobicContact CG1-CB 4.27Å |
| 192 | L | 98.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 25% | 0.254 | C | S | . | . | trans | -125.1 | 25.8 | -179.9 | -61.7 | 169.7 | 0 | 0 | 0 | 111.1 | I152 L168 I173 I176 L190 N195 I197 D211 V212 N215 | I152-L192 HydrophobicContact CD1-CD2 4.43Å; L168-L192 HydrophobicContact CB-CD2 4.03Å; L168-L192 HydrophobicContact CD1-CD2 3.93Å; L168-L192 HydrophobicContact CG-CD2 4.4Å; I173-L192 HydrophobicContact CD1-CD2 4.25Å; I176-L192 HydrophobicContact CD1-CD1 3.99Å; L190-L192 HydrophobicContact CD1-CD1 4.03Å; L190-L192 HydrophobicContact CD1-CD2 4.2Å; L190-L192 HydrophobicContact CD1-CG 3.92Å; L190-L192 HydrophobicContact CD2-CD1 3.96Å; L190-L192 HydrophobicContact CG-CD1 3.94Å; L190-L192 HydrophobicContact CG-CG 4.05Å; L192-N195 PolarHBondContact O-ND2 2.86Å; L192-I197 HydrophobicContact CB-CD1 3.64Å; L192-I197 HydrophobicContact CD1-CD1 3.82Å; L192-I197 HydrophobicContact CD2-CD1 4.49Å; L192-I197 HydrophobicContact CG-CD1 4.19Å; L192-D211 PolarHBondContact N-O 2.75Å; L192-V212 HydrophobicContact CB-CG1 4.27Å; L192-V212 HydrophobicContact CD1-CG1 4.34Å; L192-N215 PolarHBondContact O-ND2 2.62Å | ||
| 193 | R | 98.3 | Very high | 96.2 | Very high | 77 Ų | 77 | 52.3 Ų | 52.3 | 29% | 0.291 | 23% | 0.233 | S | C | . | . | trans | -56.8 | 147.3 | -179 | -170.2 | 176.6 | 76.3 | 94.2 | 13.7 | 112 | T169 A170 V191 N195 S213 | T169-R193 CarbonylContact C-O 3.01Å; T169-R193 VanDerWaalsContact CA-O 3.28Å; T169-R193 WeakPolarHBondContact CA-O 3.37Å; T169-R193 HydrophobicContact CG2-CB 4.13Å; A170-R193 PolarHBondContact N-O 2.58Å; V191-R193 HydrophobicContact CG1-CB 4.23Å; R193-N195 PolarHBondContact O-ND2 3.04Å; R193-N195 VanDerWaalsContact O-ND2 3.11Å; R193-S213 CarbonylContact C-O 3.2Å; R193-S213 VanDerWaalsContact CA-O 3.3Å; R193-S213 WeakPolarHBondContact CA-O 3.33Å | ||
| 194 | E | 98.3 | Very high | 96.5 | Very high | 76 Ų | 76 | 46.9 Ų | 46.9 | 36% | 0.355 | 21% | 0.214 | S | C | . | . | S | Bend | trans | 55.5 | 56.4 | 177.1 | -69.9 | 171.4 | -144.9 | 0 | 0 | 112.6 | A170 N171 S213 N214 | A170-E194 VanDerWaalsContact CA-O 3.26Å; A170-E194 WeakPolarHBondContact CA-O 3.07Å; A170-E194 HydrophobicContact CB-CB 4.29Å; A170-E194 PolarHBondContact N-O 3.3Å; N171-E194 PolarHBondContact N-O 2.96Å; E194-S213 PolarHBondContact N-O 2.91Å; E194-N214 WeakPolarHBondContact CA-O 3.3Å; E194-N214 HydrophobicContact CG-CB 3.92Å |
| 195 | N | 98.5 | Very high | 96.5 | Very high | 10 Ų | 10 | 49.9 Ų | 49.9 | 5% | 0.053 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -125.4 | -163.9 | 175.9 | -85.8 | -80.9 | 0 | 0 | 0 | 110.5 | L168 N171 I173 L192 R193 I197 N214 N215 | L168-N195 PolarHBondContact O-ND2 2.73Å; N171-N195 VanDerWaalsContact CA-OD1 3.3Å; N171-N195 WeakPolarHBondContact CA-OD1 3.35Å; N171-N195 WeakPolarHBondContact CB-OD1 3.35Å; N171-N195 PolarHBondContact N-OD1 3.29Å; N171-N195 PolarHBondContact O-OD1 3.48Å; I173-N195 HydrophobicContact CB-CB 4.31Å; I173-N195 VanDerWaalsContact CB-OD1 3.3Å; I173-N195 WeakPolarHBondContact CB-OD1 3.28Å; I173-N195 WeakPolarHBondContact CD1-OD1 3.43Å; I173-N195 WeakPolarHBondContact CG1-OD1 3.37Å; I173-N195 PolarHBondContact N-OD1 3.43Å; L192-N195 PolarHBondContact O-ND2 2.86Å; R193-N195 PolarHBondContact O-ND2 3.04Å; R193-N195 VanDerWaalsContact O-ND2 3.11Å; N195-I197 HydrophobicContact CB-CD1 4.09Å; N195-I197 HydrophobicContact CB-CG1 4.04Å; N195-N214 PolarHBondContact N-O 3.15Å; N195-N215 VanDerWaalsContact CA-OD1 3.29Å; N195-N215 WeakPolarHBondContact CA-OD1 3.32Å; N195-N215 WeakPolarHBondContact CB-OD1 3.25Å; N195-N215 PolarHBondContact O-OD1 2.78Å |
| 196 | R | 97.9 | Very high | 96.7 | Very high | 117 Ų | 117 | 48 Ų | 48 | 44% | 0.442 | 22% | 0.222 | S | C | . | . | trans | -123 | 29.4 | 179.8 | -59.6 | -179.6 | -177.7 | 179.8 | 1.6 | 111.4 | I173 R198 N215 | I173-R196 CarbonylContact O-C 3.56Å; I173-R196 VanDerWaalsContact O-CA 3.31Å; I173-R196 WeakPolarHBondContact O-CA 3.24Å; I173-R196 PolarHBondContact O-N 3.2Å; R196-R198 PolarHBondContact O-N 2.94Å; R196-N215 PolarHBondContact N-OD1 3.48Å | ||
| 197 | I | 97.7 | Very high | 96.8 | Very high | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | trans | -68.5 | 128.5 | -172.9 | -60.4 | 164.8 | 0 | 0 | 0 | 108.9 | I173 I176 L192 N195 Q199 L200 N215 R216 L217 | I173-I197 HydrophobicContact CB-CG1 4.4Å; I173-I197 HydrophobicContact CG2-CG1 4.13Å; I173-I197 WeakPolarHBondContact O-CG1 3.49Å; I173-I197 PolarHBondContact O-N 3.22Å; I173-I197 VanDerWaalsContact O-N 3.14Å; I176-I197 HydrophobicContact CD1-CD1 3.77Å; I176-I197 HydrophobicContact CD1-CG1 4.03Å; I176-I197 HydrophobicContact CD1-CG2 4.26Å; L192-I197 HydrophobicContact CB-CD1 3.64Å; L192-I197 HydrophobicContact CD1-CD1 3.82Å; L192-I197 HydrophobicContact CD2-CD1 4.49Å; L192-I197 HydrophobicContact CG-CD1 4.19Å; N195-I197 HydrophobicContact CB-CD1 4.09Å; N195-I197 HydrophobicContact CB-CG1 4.04Å; I197-Q199 VanDerWaalsContact CG2-O 3.25Å; I197-Q199 WeakPolarHBondContact CG2-O 3.23Å; I197-L200 HydrophobicContact CG2-CD2 4.43Å; I197-N215 HydrophobicContact CB-CB 4.36Å; I197-N215 VanDerWaalsContact CB-OD1 3.29Å; I197-N215 WeakPolarHBondContact CB-OD1 3.29Å; I197-N215 WeakPolarHBondContact CG1-OD1 3.37Å; I197-N215 PolarHBondContact N-OD1 2.94Å; I197-R216 CarbonylContact O-C 3.51Å; I197-R216 WeakPolarHBondContact O-CA 3.44Å; I197-R216 PolarHBondContact O-N 2.9Å; I197-L217 HydrophobicContact CG2-CD2 4.04Å; I197-L217 PolarHBondContact O-N 3.14Å | ||
| 198 | R | 95.9 | Very high | 96.8 | Very high | 168 Ų | 168 | 45.5 Ų | 45.5 | 63% | 0.634 | 21% | 0.213 | S | C | * | . | trans | -102.6 | -22.6 | 176.7 | -64.6 | -178.7 | -178.9 | -179.1 | -0.6 | 113.1 | R196 R216 G221 | R196-R198 PolarHBondContact O-N 2.94Å; R198-R216 HydrophobicContact CG-CB 4.37Å; R198-G221 WeakPolarHBondContact O-CA 3.38Å | ||
| 199 | Q | 95.9 | Very high | 96.8 | Very high | 114 Ų | 114 | 43.2 Ų | 43.2 | 53% | 0.533 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -145.5 | 134.6 | -177.5 | -172.7 | 177.7 | 3.6 | 0 | 0 | 110.8 | I197 G221 | I197-Q199 VanDerWaalsContact CG2-O 3.25Å; I197-Q199 WeakPolarHBondContact CG2-O 3.23Å; Q199-G221 CarbonylContact C-O 3.42Å; Q199-G221 VanDerWaalsContact CA-O 3.28Å; Q199-G221 WeakPolarHBondContact CA-O 3.32Å |
| 200 | L | 95.3 | Very high | 96.8 | Very high | 9 Ų | 9 | 41 Ų | 41 | 5% | 0.047 | 19% | 0.193 | C | C | . | . | trans | -80.7 | 140.1 | 173.1 | -65.3 | -177.6 | 0 | 0 | 0 | 111.1 | I197 V212 L217 G221 I222 F227 | I197-L200 HydrophobicContact CG2-CD2 4.43Å; L200-V212 HydrophobicContact CD2-CB 4.4Å; L200-V212 HydrophobicContact CD2-CG1 3.85Å; L200-V212 HydrophobicContact CD2-CG2 4.5Å; L200-L217 HydrophobicContact CD1-CD1 4.36Å; L200-L217 HydrophobicContact CD2-CD1 4.11Å; L200-L217 HydrophobicContact CD2-CD2 4.12Å; L200-L217 HydrophobicContact CG-CD1 4.16Å; L200-L217 HydrophobicContact CG-CD2 3.9Å; L200-G221 PolarHBondContact N-O 3.06Å; L200-I222 HydrophobicContact CD1-CD1 4.33Å; L200-I222 HydrophobicContact CD1-CG1 3.99Å; L200-I222 HydrophobicContact CG-CG1 4.47Å; L200-F227 HydrophobicContact CD1-CE1 4.33Å; L200-F227 HydrophobicContact CD1-CZ 3.97Å | ||
| 201 | P | 94.6 | Very high | 96.8 | Very high | 9 Ų | 9 | 42.1 Ų | 42.1 | 6% | 0.058 | 20% | 0.199 | C | C | . | . | trans | -75.9 | -177.4 | 172.9 | 36.5 | -39.7 | 0 | 0 | 0 | 111.5 | I176 E178 F181 L203 | I176-P201 HydrophobicContact CB-CG 4.48Å; I176-P201 HydrophobicContact CG2-CB 3.88Å; I176-P201 HydrophobicContact CG2-CG 3.73Å; E178-P201 WeakPolarHBondContact O-CB 3.43Å; F181-P201 HydrophobicContact CD2-CB 4.47Å; F181-P201 HydrophobicContact CD2-CG 3.54Å; F181-P201 HydrophobicContact CE2-CG 3.73Å; P201-L203 HydrophobicContact CG-CD2 4.46Å | ||
| 202 | E | 93.8 | Very high | 96.8 | Very high | 62 Ų | 62 | 41.8 Ų | 41.8 | 29% | 0.29 | 20% | 0.197 | S | C | . | . | trans | -69.6 | 131.8 | 166.5 | -70.5 | -171.8 | 176.7 | 0 | 0 | 110.3 | E178 R182 R223 | E178-E202 HydrophobicContact CG-CG 3.99Å; E178-E202 PolarHBondContact O-N 2.95Å; R182-E202 WeakPolarHBondContact CD-OE2 3.32Å; R182-E202 IonicContact NE-OE2 3.41Å; E202-R223 IonicContact OE1-CZ 3.5Å; E202-R223 IonicContact OE1-NH1 2.74Å; E202-R223 PolarHBondContact OE1-NH1 3.49Å; E202-R223 VanDerWaalsContact OE1-NH1 3.15Å | ||
| 203 | L | 94.6 | Very high | 96.8 | Very high | 24 Ų | 24 | 42.1 Ų | 42.1 | 13% | 0.126 | 20% | 0.199 | C | C | . | . | trans | -104.5 | 136.6 | -173.7 | -66.2 | 173.7 | 0 | 0 | 0 | 110.2 | L190 P201 L207 I210 F227 L230 | L190-L203 HydrophobicContact CD2-CD2 3.79Å; P201-L203 HydrophobicContact CG-CD2 4.46Å; L203-L207 HydrophobicContact CB-CD1 3.91Å; L203-L207 HydrophobicContact CD2-CD1 3.93Å; L203-L207 HydrophobicContact CG-CD1 4.37Å; L203-I210 HydrophobicContact CD1-CD1 3.7Å; L203-F227 HydrophobicContact CD1-CD1 4.16Å; L203-F227 HydrophobicContact CD1-CE1 3.79Å; L203-L230 HydrophobicContact CB-CD1 4.28Å; L203-L230 HydrophobicContact CB-CD2 4.25Å; L203-L230 HydrophobicContact CD1-CD1 4.19Å | ||
| 204 | P | 94.2 | Very high | 96.8 | Very high | 12 Ų | 12 | 41.3 Ų | 41.3 | 8% | 0.078 | 20% | 0.201 | C | C | . | . | trans | -70.5 | 143 | 175.4 | 26.8 | -31.8 | 0 | 0 | 0 | 111.4 | L187 T206 L207 L230 | L187-P204 HydrophobicContact CB-CG 4.19Å; L187-P204 HydrophobicContact CD2-CG 3.99Å; P204-T206 PolarHBondContact O-N 3Å; P204-L207 HydrophobicContact CG-CD1 4.04Å; P204-L207 HydrophobicContact CG-CG 4.06Å; P204-L207 PolarHBondContact O-N 3.06Å; P204-L230 VanDerWaalsContact O-CD2 3.29Å; P204-L230 WeakPolarHBondContact O-CD2 3.22Å | ||
| 205 | S | 94.4 | Very high | 96.8 | Very high | 67 Ų | 67 | 38.2 Ų | 38.2 | 47% | 0.469 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -10.6 | -178.4 | 55.3 | 0 | 0 | 0 | 0 | 115.4 | L207 D229 | S205-L207 VanDerWaalsContact C-N 3.31Å; S205-D229 VanDerWaalsContact CB-O 3.27Å; S205-D229 WeakPolarHBondContact CB-O 3.36Å |
| 206 | T | 96.1 | Very high | 96.8 | Very high | 40 Ų | 40 | 43.8 Ų | 43.8 | 25% | 0.245 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -6.9 | -179.9 | 56.4 | 0 | 0 | 0 | 0 | 113.9 | P185 L187 P204 T208 | P185-T206 WeakPolarHBondContact O-CG2 3.5Å; L187-T206 PolarHBondContact N-OG1 3.49Å; L187-T206 CarbonylContact O-C 3.1Å; L187-T206 WeakPolarHBondContact O-CB 3.49Å; L187-T206 VanDerWaalsContact O-O 3.12Å; L187-T206 PolarHBondContact O-OG1 3.02Å; P204-T206 PolarHBondContact O-N 3Å; T206-T208 PolarHBondContact O-N 3.3Å |
| 207 | L | 97.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | trans | -67.1 | 129.8 | -178.8 | -77 | 167.5 | 0 | 0 | 0 | 111.3 | L187 Q188 L190 L203 P204 S205 I210 E232 L233 | L187-L207 HydrophobicContact CD2-CD2 3.92Å; L187-L207 HydrophobicContact CG-CD2 3.83Å; L187-L207 PolarHBondContact O-N 2.59Å; Q188-L207 CarbonylContact O-C 3.19Å; Q188-L207 WeakPolarHBondContact O-CA 3.22Å; Q188-L207 WeakPolarHBondContact O-CD2 3.26Å; L190-L207 HydrophobicContact CB-CD2 3.87Å; L203-L207 HydrophobicContact CB-CD1 3.91Å; L203-L207 HydrophobicContact CD2-CD1 3.93Å; L203-L207 HydrophobicContact CG-CD1 4.37Å; P204-L207 HydrophobicContact CG-CD1 4.04Å; P204-L207 HydrophobicContact CG-CG 4.06Å; P204-L207 PolarHBondContact O-N 3.06Å; S205-L207 VanDerWaalsContact C-N 3.31Å; L207-I210 HydrophobicContact CB-CD1 4.46Å; L207-I210 HydrophobicContact CB-CG1 4.33Å; L207-I210 HydrophobicContact CD1-CD1 4.05Å; L207-I210 HydrophobicContact CD1-CG1 4Å; L207-E232 CarbonylContact O-C 3.57Å; L207-L233 VanDerWaalsContact O-CA 3.24Å; L207-L233 WeakPolarHBondContact O-CA 3.21Å; L207-L233 PolarHBondContact O-N 3.11Å | ||
| 208 | T | 98.3 | Very high | 96.5 | Very high | 31 Ų | 31 | 39.1 Ų | 39.1 | 19% | 0.19 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -104.9 | -28.5 | 173.8 | 60.4 | 0 | 0 | 0 | 0 | 111.9 | Q188 T206 E232 Q234 Y235 | Q188-T208 PolarHBondContact O-N 2.87Å; Q188-T208 PolarHBondContact O-OG1 3.22Å; Q188-T208 VanDerWaalsContact O-OG1 3.11Å; T206-T208 PolarHBondContact O-N 3.3Å; T208-E232 WeakPolarHBondContact CA-O 3.21Å; T208-E232 HydrophobicContact CG2-CB 4.19Å; T208-Q234 PolarHBondContact O-N 3.1Å; T208-Y235 PolarHBondContact O-N 2.63Å |
| 209 | L | 98.6 | Very high | 96.2 | Very high | 34 Ų | 34 | 39.7 Ų | 39.7 | 18% | 0.178 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 129.2 | 178.9 | -176.2 | 152.9 | 0 | 0 | 0 | 111.2 | Q188 E189 L190 V191 D211 Y235 Y237 | Q188-L209 PolarHBondContact O-N 3.16Å; E189-L209 HydrophobicContact CG-CB 4.15Å; L190-L209 PolarHBondContact N-O 3.24Å; V191-L209 HydrophobicContact CG2-CD2 4.02Å; L209-D211 HydrophobicContact CD2-CB 4.21Å; L209-Y235 WeakPolarHBondContact CA-O 3.42Å; L209-Y235 HydrophobicContact CB-CD2 4.49Å; L209-Y235 HydrophobicContact CD1-CD2 4.44Å; L209-Y235 HydrophobicContact CD1-CG 4.4Å; L209-Y237 HydrophobicContact CD1-CE2 4.29Å; L209-Y237 HydrophobicContact CG-CE2 4.4Å |
| 210 | I | 98.4 | Very high | 96 | Very high | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 120.7 | 170.7 | -62.3 | 164 | 0 | 0 | 0 | 108 | L203 L207 V212 F227 L230 L233 Y235 L236 Y237 | L203-I210 HydrophobicContact CD1-CD1 3.7Å; L207-I210 HydrophobicContact CB-CD1 4.46Å; L207-I210 HydrophobicContact CB-CG1 4.33Å; L207-I210 HydrophobicContact CD1-CD1 4.05Å; L207-I210 HydrophobicContact CD1-CG1 4Å; I210-V212 HydrophobicContact CG2-CG1 3.83Å; I210-F227 HydrophobicContact CD1-CD1 4.4Å; I210-F227 HydrophobicContact CD1-CE1 4.21Å; I210-L230 HydrophobicContact CD1-CD1 3.77Å; I210-L233 HydrophobicContact CB-CD1 4.33Å; I210-L233 HydrophobicContact CD1-CD1 3.58Å; I210-L233 HydrophobicContact CD1-CD2 4.07Å; I210-L233 HydrophobicContact CG1-CD1 3.74Å; I210-Y235 PolarHBondContact N-O 2.76Å; I210-L236 HydrophobicContact CB-CD1 3.86Å; I210-L236 HydrophobicContact CD1-CD1 4.43Å; I210-L236 HydrophobicContact CG2-CD1 3.96Å; I210-Y237 PolarHBondContact O-N 2.81Å |
| 211 | D | 98.6 | Very high | 95.8 | Very high | 25 Ų | 25 | 44.9 Ų | 44.9 | 13% | 0.134 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 109.9 | 170.3 | -176.4 | 1.3 | 0 | 0 | 0 | 109.9 | L190 V191 L192 L209 S213 Y237 | L190-D211 PolarHBondContact O-N 2.71Å; V191-D211 HydrophobicContact CG1-CB 4.27Å; L192-D211 PolarHBondContact N-O 2.75Å; L209-D211 HydrophobicContact CD2-CB 4.21Å; D211-S213 WeakPolarHBondContact OD1-CB 3.28Å; D211-S213 PolarHBondContact OD1-N 2.77Å; D211-S213 PolarHBondContact OD1-OG 2.74Å; D211-Y237 HydrophobicContact CB-CD2 4.11Å |
| 212 | V | 98.1 | Very high | 95.8 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.006 | 21% | 0.212 | C | C | . | . | trans | -122.6 | 27.6 | 176.8 | -60.1 | 0 | 0 | 0 | 0 | 110.5 | L192 L200 I210 N215 L217 Y237 I238 N241 | L192-V212 HydrophobicContact CB-CG1 4.27Å; L192-V212 HydrophobicContact CD1-CG1 4.34Å; L200-V212 HydrophobicContact CD2-CB 4.4Å; L200-V212 HydrophobicContact CD2-CG1 3.85Å; L200-V212 HydrophobicContact CD2-CG2 4.5Å; I210-V212 HydrophobicContact CG2-CG1 3.83Å; V212-N215 WeakPolarHBondContact O-CB 3.14Å; V212-N215 PolarHBondContact O-ND2 2.98Å; V212-L217 HydrophobicContact CB-CD1 4.11Å; V212-L217 HydrophobicContact CG2-CD1 3.6Å; V212-Y237 WeakPolarHBondContact CG2-O 3.34Å; V212-Y237 PolarHBondContact N-O 2.87Å; V212-I238 HydrophobicContact CG2-CB 4.18Å; V212-I238 HydrophobicContact CG2-CG1 3.76Å; V212-I238 HydrophobicContact CG2-CG2 3.97Å; V212-N241 PolarHBondContact O-ND2 3.43Å | ||
| 213 | S | 98.4 | Very high | 95.7 | Very high | 7 Ų | 7 | 47 Ų | 47 | 5% | 0.049 | 22% | 0.217 | C | C | . | . | trans | -64 | 153.8 | -179.6 | -48.4 | 0 | 0 | 0 | 0 | 111.9 | R193 E194 D211 N215 Y237 T239 | R193-S213 CarbonylContact C-O 3.2Å; R193-S213 VanDerWaalsContact CA-O 3.3Å; R193-S213 WeakPolarHBondContact CA-O 3.33Å; E194-S213 PolarHBondContact N-O 2.91Å; D211-S213 WeakPolarHBondContact OD1-CB 3.28Å; D211-S213 PolarHBondContact OD1-N 2.77Å; D211-S213 PolarHBondContact OD1-OG 2.74Å; S213-N215 PolarHBondContact O-N 2.88Å; S213-N215 PolarHBondContact O-ND2 3.15Å; S213-N215 VanDerWaalsContact O-ND2 3.15Å; S213-Y237 WeakPolarHBondContact OG-CB 3.42Å; S213-T239 CarbonylContact C-O 3.47Å; S213-T239 WeakPolarHBondContact CA-O 3.3Å | ||
| 214 | N | 98.4 | Very high | 95.4 | Very high | 60 Ų | 60 | 52.9 Ų | 52.9 | 32% | 0.321 | 25% | 0.248 | S | C | . | . | S | Bend | trans | 56.1 | 53.4 | 179.7 | -54 | 83.5 | 0 | 0 | 0 | 111.8 | E194 N195 T239 D240 | E194-N214 WeakPolarHBondContact CA-O 3.3Å; E194-N214 HydrophobicContact CG-CB 3.92Å; N195-N214 PolarHBondContact N-O 3.15Å; N214-T239 PolarHBondContact N-O 2.86Å; N214-D240 VanDerWaalsContact CA-O 3.26Å; N214-D240 WeakPolarHBondContact CA-O 3.18Å; N214-D240 HydrophobicContact CB-CB 4.38Å; N214-D240 PolarHBondContact N-O 3Å; N214-D240 VanDerWaalsContact ND2-CB 3.33Å; N214-D240 WeakPolarHBondContact ND2-CB 3.03Å; N214-D240 PolarHBondContact ND2-OD2 2.98Å |
| 215 | N | 98.3 | Very high | 95.3 | Very high | 10 Ų | 10 | 57.1 Ų | 57.1 | 5% | 0.053 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -123 | -161.2 | 176 | -87.4 | -78.6 | 0 | 0 | 0 | 110 | L192 N195 R196 I197 V212 S213 L217 D240 N241 | L192-N215 PolarHBondContact O-ND2 2.62Å; N195-N215 VanDerWaalsContact CA-OD1 3.29Å; N195-N215 WeakPolarHBondContact CA-OD1 3.32Å; N195-N215 WeakPolarHBondContact CB-OD1 3.25Å; N195-N215 PolarHBondContact O-OD1 2.78Å; R196-N215 PolarHBondContact N-OD1 3.48Å; I197-N215 HydrophobicContact CB-CB 4.36Å; I197-N215 VanDerWaalsContact CB-OD1 3.29Å; I197-N215 WeakPolarHBondContact CB-OD1 3.29Å; I197-N215 WeakPolarHBondContact CG1-OD1 3.37Å; I197-N215 PolarHBondContact N-OD1 2.94Å; V212-N215 WeakPolarHBondContact O-CB 3.14Å; V212-N215 PolarHBondContact O-ND2 2.98Å; S213-N215 PolarHBondContact O-N 2.88Å; S213-N215 PolarHBondContact O-ND2 3.15Å; S213-N215 VanDerWaalsContact O-ND2 3.15Å; N215-L217 HydrophobicContact CB-CG 4.46Å; N215-D240 PolarHBondContact N-O 2.89Å; N215-N241 WeakPolarHBondContact CA-OD1 3.44Å; N215-N241 WeakPolarHBondContact CB-OD1 3.48Å; N215-N241 PolarHBondContact O-OD1 3.23Å |
| 216 | R | 97.3 | Very high | 95.2 | Very high | 128 Ų | 128 | 55.4 Ų | 55.4 | 48% | 0.483 | 26% | 0.257 | S | S | . | . | trans | -126.2 | 35.2 | -179 | -56.7 | -176.3 | -173.8 | -155 | 0.9 | 110.8 | I197 R198 G218 N241 | I197-R216 CarbonylContact O-C 3.51Å; I197-R216 WeakPolarHBondContact O-CA 3.44Å; I197-R216 PolarHBondContact O-N 2.9Å; R198-R216 HydrophobicContact CG-CB 4.37Å; R216-G218 PolarHBondContact O-N 3.42Å; R216-N241 PolarHBondContact N-OD1 3.31Å | ||
| 217 | L | 96.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 25% | 0.246 | C | C | . | . | trans | -69.9 | 116 | 178.4 | -65.8 | 169.8 | 0 | 0 | 0 | 108.7 | I197 L200 V212 N215 I238 N241 N242 L243 | I197-L217 HydrophobicContact CG2-CD2 4.04Å; I197-L217 PolarHBondContact O-N 3.14Å; L200-L217 HydrophobicContact CD1-CD1 4.36Å; L200-L217 HydrophobicContact CD2-CD1 4.11Å; L200-L217 HydrophobicContact CD2-CD2 4.12Å; L200-L217 HydrophobicContact CG-CD1 4.16Å; L200-L217 HydrophobicContact CG-CD2 3.9Å; V212-L217 HydrophobicContact CB-CD1 4.11Å; V212-L217 HydrophobicContact CG2-CD1 3.6Å; N215-L217 HydrophobicContact CB-CG 4.46Å; L217-I238 HydrophobicContact CD1-CG2 3.93Å; L217-N241 HydrophobicContact CB-CB 4.27Å; L217-N241 VanDerWaalsContact CB-OD1 3.29Å; L217-N241 WeakPolarHBondContact CB-OD1 3.29Å; L217-N241 WeakPolarHBondContact CG-OD1 3.48Å; L217-N241 PolarHBondContact N-OD1 2.97Å; L217-N242 CarbonylContact O-C 3.12Å; L217-N242 VanDerWaalsContact O-CA 3.25Å; L217-N242 WeakPolarHBondContact O-CA 3.31Å; L217-N242 PolarHBondContact O-N 2.85Å; L217-L243 HydrophobicContact CB-CD2 4.15Å; L217-L243 PolarHBondContact O-N 3.05Å | ||
| 218 | G | 93.4 | Very high | 94.9 | Very high | 20 Ų | 20 | 57.9 Ų | 57.9 | 21% | 0.206 | 27% | 0.265 | C | S | . | . | trans | -105.2 | -167.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | R216 R220 G221 N242 | R216-G218 PolarHBondContact O-N 3.42Å; G218-R220 PolarHBondContact O-N 2.95Å; G218-G221 WeakPolarHBondContact O-CA 3.22Å; G218-G221 PolarHBondContact O-N 3.27Å; G218-N242 WeakPolarHBondContact CA-O 3.02Å | ||
| 219 | R | 89.6 | Confident | 94.6 | Very high | 179 Ų | 179 | 61.3 Ų | 61.3 | 68% | 0.675 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -45 | -41.8 | 177.3 | -170.9 | -179.7 | -177.5 | 170.1 | 0 | 115.2 | D244 H245 | R219-D244 WeakPolarHBondContact CA-OD1 3.5Å; R219-D244 WeakPolarHBondContact CB-OD1 3.46Å; R219-D244 WeakPolarHBondContact CB-OD2 3.46Å; R219-D244 VanDerWaalsContact CD-OD2 3.23Å; R219-D244 WeakPolarHBondContact CD-OD2 3.08Å; R219-D244 VanDerWaalsContact CG-OD1 3.32Å; R219-D244 WeakPolarHBondContact CG-OD1 3.47Å; R219-D244 WeakPolarHBondContact CG-OD2 3.39Å; R219-D244 IonicContact NE-OD2 3.98Å; R219-H245 PolarHBondContact O-CE1 3.23Å |
| 220 | R | 90.7 | Very high | 94.4 | Very high | 230 Ų | 230 | 59.8 Ų | 59.8 | 87% | 0.868 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95 | 2.1 | -178.2 | -63.9 | -175.7 | -68.5 | -176.2 | -2.4 | 113.3 | G218 I222 | G218-R220 PolarHBondContact O-N 2.95Å; R220-I222 VanDerWaalsContact C-N 3.35Å |
| 221 | G | 90.8 | Very high | 94.3 | Very high | 2 Ų | 2 | 65.7 Ų | 65.7 | 2% | 0.021 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -23.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | R198 Q199 L200 G218 | R198-G221 WeakPolarHBondContact O-CA 3.38Å; Q199-G221 CarbonylContact C-O 3.42Å; Q199-G221 VanDerWaalsContact CA-O 3.28Å; Q199-G221 WeakPolarHBondContact CA-O 3.32Å; L200-G221 PolarHBondContact N-O 3.06Å; G218-G221 WeakPolarHBondContact O-CA 3.22Å; G218-G221 PolarHBondContact O-N 3.27Å |
| 222 | I | 94.8 | Very high | 94.2 | Very high | 9 Ų | 9 | 69.9 Ų | 69.9 | 5% | 0.046 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -116.5 | 126.5 | 176.7 | -53.6 | -178.3 | 0 | 0 | 0 | 107.2 | L200 R220 A226 F227 I238 L243 P247 | L200-I222 HydrophobicContact CD1-CD1 4.33Å; L200-I222 HydrophobicContact CD1-CG1 3.99Å; L200-I222 HydrophobicContact CG-CG1 4.47Å; R220-I222 VanDerWaalsContact C-N 3.35Å; I222-A226 HydrophobicContact CG2-CB 3.77Å; I222-F227 HydrophobicContact CD1-CE2 4.23Å; I222-F227 HydrophobicContact CD1-CZ 4.3Å; I222-F227 HydrophobicContact CG2-CD2 4.49Å; I222-F227 HydrophobicContact CG2-CE2 3.71Å; I222-F227 HydrophobicContact CG2-CZ 4.02Å; I222-I238 HydrophobicContact CD1-CD1 3.97Å; I222-L243 HydrophobicContact CD1-CD1 3.95Å; I222-L243 HydrophobicContact CD1-CD2 3.83Å; I222-L243 HydrophobicContact CG1-CD2 4.21Å; I222-P247 HydrophobicContact CD1-CB 4.13Å; I222-P247 HydrophobicContact CD1-CG 4.16Å; I222-P247 HydrophobicContact CG2-CB 3.99Å |
| 223 | R | 92.4 | Very high | 94.2 | Very high | 107 Ų | 107 | 69.9 Ų | 69.9 | 40% | 0.404 | 32% | 0.32 | S | S | . | . | trans | -70.5 | 150.8 | 176.9 | -67.5 | 173 | 71.9 | 172.8 | 6.9 | 109.7 | E178 E202 E225 A226 | E178-R223 IonicContact OE1-CZ 3.38Å; E178-R223 IonicContact OE1-NH1 2.77Å; E178-R223 PolarHBondContact OE1-NH1 3Å; E178-R223 IonicContact OE1-NH2 3.43Å; E202-R223 IonicContact OE1-CZ 3.5Å; E202-R223 IonicContact OE1-NH1 2.74Å; E202-R223 PolarHBondContact OE1-NH1 3.49Å; E202-R223 VanDerWaalsContact OE1-NH1 3.15Å; R223-E225 PolarHBondContact O-N 3.48Å; R223-A226 HydrophobicContact CB-CB 4.35Å; R223-A226 WeakPolarHBondContact O-CB 3.45Å; R223-A226 PolarHBondContact O-N 3.45Å; R223-A226 VanDerWaalsContact O-N 3.1Å | ||
| 224 | N | 88.8 | Confident | 94.2 | Very high | 147 Ų | 147 | 72.4 Ų | 72.4 | 79% | 0.786 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | 136.4 | 169 | -64.1 | 3.3 | 0 | 0 | 0 | 109 | A226 | N224-A226 PolarHBondContact O-N 3.02Š|
| 225 | E | 90.7 | Very high | 94.2 | Very high | 101 Ų | 101 | 73.1 Ų | 73.1 | 47% | 0.472 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.9 | 16 | -179.1 | -44.5 | -161.5 | 130.8 | 0 | 0 | 115.7 | R223 F227 K228 P249 | R223-E225 PolarHBondContact O-N 3.48Å; E225-F227 PolarHBondContact O-N 2.75Å; E225-K228 HydrophobicContact CB-CB 3.96Å; E225-K228 HydrophobicContact CB-CD 3.89Å; E225-K228 VanDerWaalsContact CD-CD 3.49Å; E225-K228 HydrophobicContact CG-CD 4.1Å; E225-K228 WeakPolarHBondContact O-CB 3.3Å; E225-K228 PolarHBondContact O-N 2.92Å; E225-K228 VanDerWaalsContact O-N 3.09Å; E225-K228 WeakPolarHBondContact OE1-CD 3.49Å; E225-K228 IonicContact OE1-NZ 3.26Å; E225-K228 PolarHBondContact OE1-NZ 3.2Å; E225-K228 IonicContact OE2-NZ 2.87Å; E225-K228 PolarHBondContact OE2-NZ 3.1Å; E225-P249 HydrophobicContact CG-CG 4.41Å |
| 226 | A | 92.6 | Very high | 94.2 | Very high | 31 Ų | 31 | 72.6 Ų | 72.6 | 26% | 0.256 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -27.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | I222 R223 N224 | I222-A226 HydrophobicContact CG2-CB 3.77Å; R223-A226 HydrophobicContact CB-CB 4.35Å; R223-A226 WeakPolarHBondContact O-CB 3.45Å; R223-A226 PolarHBondContact O-N 3.45Å; R223-A226 VanDerWaalsContact O-N 3.1Å; N224-A226 PolarHBondContact O-N 3.02Å |
| 227 | F | 94.8 | Very high | 94.3 | Very high | 2 Ų | 2 | 69 Ų | 69 | 1% | 0.009 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.3 | 0.9 | -177.8 | -52.2 | -59.2 | 0 | 0 | 0 | 113.9 | L200 L203 I210 I222 E225 D229 L230 L236 I238 P247 | L200-F227 HydrophobicContact CD1-CE1 4.33Å; L200-F227 HydrophobicContact CD1-CZ 3.97Å; L203-F227 HydrophobicContact CD1-CD1 4.16Å; L203-F227 HydrophobicContact CD1-CE1 3.79Å; I210-F227 HydrophobicContact CD1-CD1 4.4Å; I210-F227 HydrophobicContact CD1-CE1 4.21Å; I222-F227 HydrophobicContact CD1-CE2 4.23Å; I222-F227 HydrophobicContact CD1-CZ 4.3Å; I222-F227 HydrophobicContact CG2-CD2 4.49Å; I222-F227 HydrophobicContact CG2-CE2 3.71Å; I222-F227 HydrophobicContact CG2-CZ 4.02Å; E225-F227 PolarHBondContact O-N 2.75Å; F227-D229 PolarHBondContact O-N 3.23Å; F227-L230 HydrophobicContact CB-CD1 4.35Å; F227-L230 HydrophobicContact CD1-CD1 3.74Å; F227-L230 PolarHBondContact O-N 2.87Å; F227-L236 HydrophobicContact CD2-CD2 4.17Å; F227-L236 HydrophobicContact CE1-CD1 4.14Å; F227-L236 HydrophobicContact CE1-CD2 4.45Å; F227-L236 HydrophobicContact CE2-CD2 4.03Å; F227-L236 HydrophobicContact CG-CD2 4.44Å; F227-L236 HydrophobicContact CZ-CD1 4.16Å; F227-L236 HydrophobicContact CZ-CD2 4.17Å; F227-I238 HydrophobicContact CE2-CD1 4.35Å; F227-I238 HydrophobicContact CZ-CD1 4.23Å; F227-P247 HydrophobicContact CD2-CB 4.07Å; F227-P247 HydrophobicContact CD2-CG 4.21Å; F227-P247 HydrophobicContact CE2-CB 3.72Å; F227-P247 HydrophobicContact CE2-CG 3.72Å |
| 228 | K | 92.6 | Very high | 94.3 | Very high | 91 Ų | 91 | 69 Ų | 69 | 40% | 0.396 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -43.9 | -171.4 | -178.2 | 175.6 | 172.6 | 178.2 | 0 | 113.3 | E225 L230 P249 | E225-K228 HydrophobicContact CB-CB 3.96Å; E225-K228 HydrophobicContact CB-CD 3.89Å; E225-K228 VanDerWaalsContact CD-CD 3.49Å; E225-K228 HydrophobicContact CG-CD 4.1Å; E225-K228 WeakPolarHBondContact O-CB 3.3Å; E225-K228 PolarHBondContact O-N 2.92Å; E225-K228 VanDerWaalsContact O-N 3.09Å; E225-K228 WeakPolarHBondContact OE1-CD 3.49Å; E225-K228 IonicContact OE1-NZ 3.26Å; E225-K228 PolarHBondContact OE1-NZ 3.2Å; E225-K228 IonicContact OE2-NZ 2.87Å; E225-K228 PolarHBondContact OE2-NZ 3.1Å; K228-L230 VanDerWaalsContact C-N 3.34Å; K228-P249 HydrophobicContact CB-CG 3.85Å; K228-P249 HydrophobicContact CD-CG 4.07Å; K228-P249 HydrophobicContact CG-CG 3.92Å |
| 229 | D | 92.3 | Very high | 94.5 | Very high | 102 Ų | 102 | 69 Ų | 69 | 55% | 0.545 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | 5.5 | -174.3 | -59.3 | -32 | 0 | 0 | 0 | 112.8 | S205 F227 H231 | S205-D229 VanDerWaalsContact CB-O 3.27Å; S205-D229 WeakPolarHBondContact CB-O 3.36Å; F227-D229 PolarHBondContact O-N 3.23Å; D229-H231 PolarHBondContact O-CD2 2.81Å; D229-H231 PolarHBondContact O-N 2.98Å |
| 230 | L | 95.6 | Very high | 94.9 | Very high | 3 Ų | 3 | 63.3 Ų | 63.3 | 2% | 0.016 | 29% | 0.293 | C | S | . | . | trans | -85.8 | 66.1 | 179.7 | -53.2 | -171.7 | 0 | 0 | 0 | 110.6 | L203 P204 I210 F227 K228 E232 L233 P251 | L203-L230 HydrophobicContact CB-CD1 4.28Å; L203-L230 HydrophobicContact CB-CD2 4.25Å; L203-L230 HydrophobicContact CD1-CD1 4.19Å; P204-L230 VanDerWaalsContact O-CD2 3.29Å; P204-L230 WeakPolarHBondContact O-CD2 3.22Å; I210-L230 HydrophobicContact CD1-CD1 3.77Å; F227-L230 HydrophobicContact CB-CD1 4.35Å; F227-L230 HydrophobicContact CD1-CD1 3.74Å; F227-L230 PolarHBondContact O-N 2.87Å; K228-L230 VanDerWaalsContact C-N 3.34Å; L230-E232 PolarHBondContact O-N 2.97Å; L230-E232 VanDerWaalsContact O-N 3.14Å; L230-L233 HydrophobicContact CB-CB 3.83Å; L230-L233 HydrophobicContact CB-CD2 4.42Å; L230-L233 HydrophobicContact CD1-CD2 4.08Å; L230-L233 WeakPolarHBondContact O-CB 3.42Å; L230-L233 PolarHBondContact O-N 3.44Å; L230-L233 VanDerWaalsContact O-N 3.08Å; L230-P251 VanDerWaalsContact O-CB 3.3Å; L230-P251 WeakPolarHBondContact O-CB 3.4Å | ||
| 231 | H | 95.1 | Very high | 95.3 | Very high | 125 Ų | 125 | 52.7 Ų | 52.7 | 58% | 0.579 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -17 | -173.7 | -55.4 | -50.3 | 0 | 0 | 0 | 114.3 | D229 S253 | D229-H231 PolarHBondContact O-CD2 2.81Å; D229-H231 PolarHBondContact O-N 2.98Å; H231-S253 VanDerWaalsContact C-OG 3.25Å; H231-S253 WeakPolarHBondContact O-CB 3.1Å; H231-S253 PolarHBondContact O-OG 2.77Å |
| 232 | E | 96.6 | Very high | 95.6 | Very high | 113 Ų | 113 | 57.1 Ų | 57.1 | 53% | 0.528 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | -3.1 | 177.5 | -60.6 | -62.9 | 152 | 0 | 0 | 113 | L207 T208 L230 Q234 | L207-E232 CarbonylContact O-C 3.57Å; T208-E232 WeakPolarHBondContact CA-O 3.21Å; T208-E232 HydrophobicContact CG2-CB 4.19Å; L230-E232 PolarHBondContact O-N 2.97Å; L230-E232 VanDerWaalsContact O-N 3.14Å; E232-Q234 PolarHBondContact O-N 3.34Å |
| 233 | L | 98.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 28% | 0.275 | C | S | . | . | trans | -70.3 | 120.4 | -174.2 | -172.5 | 71.9 | 0 | 0 | 0 | 111.4 | L207 I210 L230 L236 P251 S253 L254 | L207-L233 VanDerWaalsContact O-CA 3.24Å; L207-L233 WeakPolarHBondContact O-CA 3.21Å; L207-L233 PolarHBondContact O-N 3.11Å; I210-L233 HydrophobicContact CB-CD1 4.33Å; I210-L233 HydrophobicContact CD1-CD1 3.58Å; I210-L233 HydrophobicContact CD1-CD2 4.07Å; I210-L233 HydrophobicContact CG1-CD1 3.74Å; L230-L233 HydrophobicContact CB-CB 3.83Å; L230-L233 HydrophobicContact CB-CD2 4.42Å; L230-L233 HydrophobicContact CD1-CD2 4.08Å; L230-L233 WeakPolarHBondContact O-CB 3.42Å; L230-L233 PolarHBondContact O-N 3.44Å; L230-L233 VanDerWaalsContact O-N 3.08Å; L233-L236 HydrophobicContact CD2-CB 4.33Å; L233-L236 HydrophobicContact CD2-CD2 4.43Å; L233-P251 HydrophobicContact CB-CG 4.02Å; L233-P251 HydrophobicContact CD2-CG 3.98Å; L233-S253 CarbonylContact O-C 3.47Å; L233-S253 VanDerWaalsContact O-C 3.23Å; L233-S253 PolarHBondContact O-OG 2.83Å; L233-S253 VanDerWaalsContact O-OG 3.1Å; L233-L254 HydrophobicContact CD2-CD1 4.08Å; L233-L254 HydrophobicContact CG-CD1 4.06Å; L233-L254 VanDerWaalsContact O-CA 3.28Å; L233-L254 WeakPolarHBondContact O-CA 3.3Å; L233-L254 PolarHBondContact O-N 3.46Å | ||
| 234 | Q | 98.2 | Very high | 95.8 | Very high | 61 Ų | 61 | 53.9 Ų | 53.9 | 29% | 0.285 | 27% | 0.267 | S | S | . | . | trans | -111 | -35.5 | -179.1 | -67.2 | 171.7 | 19.2 | 0 | 0 | 111.8 | T208 E232 Q255 V256 | T208-Q234 PolarHBondContact O-N 3.1Å; E232-Q234 PolarHBondContact O-N 3.34Å; Q234-Q255 HydrophobicContact CB-CG 4.32Å; Q234-Q255 HydrophobicContact CG-CG 4.45Å; Q234-Q255 WeakPolarHBondContact O-CA 3.36Å; Q234-Q255 PolarHBondContact O-N 3.29Å; Q234-V256 PolarHBondContact O-N 3.08Å | ||
| 235 | Y | 98.6 | Very high | 96 | Very high | 74 Ų | 74 | 50 Ų | 50 | 29% | 0.29 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 119.5 | -173.7 | -54.4 | -87 | 0 | 0 | 0 | 110.7 | T208 L209 I210 Y237 V256 | T208-Y235 PolarHBondContact O-N 2.63Å; L209-Y235 WeakPolarHBondContact CA-O 3.42Å; L209-Y235 HydrophobicContact CB-CD2 4.49Å; L209-Y235 HydrophobicContact CD1-CD2 4.44Å; L209-Y235 HydrophobicContact CD1-CG 4.4Å; I210-Y235 PolarHBondContact N-O 2.76Å; Y235-Y237 WeakPolarHBondContact CD1-OH 3.24Å; Y235-Y237 HydrophobicContact CG-CE2 4.48Å; Y235-V256 HydrophobicContact CD1-CB 3.84Å; Y235-V256 HydrophobicContact CD1-CG2 3.69Å; Y235-V256 HydrophobicContact CE1-CB 4.45Å; Y235-V256 HydrophobicContact CE1-CG2 3.79Å |
| 236 | L | 98.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 109.5 | 176.7 | -176.8 | 57.7 | 0 | 0 | 0 | 110.3 | I210 F227 L233 I238 L250 L254 V256 L257 H258 | I210-L236 HydrophobicContact CB-CD1 3.86Å; I210-L236 HydrophobicContact CD1-CD1 4.43Å; I210-L236 HydrophobicContact CG2-CD1 3.96Å; F227-L236 HydrophobicContact CD2-CD2 4.17Å; F227-L236 HydrophobicContact CE1-CD1 4.14Å; F227-L236 HydrophobicContact CE1-CD2 4.45Å; F227-L236 HydrophobicContact CE2-CD2 4.03Å; F227-L236 HydrophobicContact CG-CD2 4.44Å; F227-L236 HydrophobicContact CZ-CD1 4.16Å; F227-L236 HydrophobicContact CZ-CD2 4.17Å; L233-L236 HydrophobicContact CD2-CB 4.33Å; L233-L236 HydrophobicContact CD2-CD2 4.43Å; L236-I238 HydrophobicContact CD1-CD1 3.89Å; L236-I238 HydrophobicContact CD1-CG1 3.89Å; L236-I238 HydrophobicContact CD2-CD1 3.96Å; L236-I238 HydrophobicContact CG-CD1 3.84Å; L236-I238 HydrophobicContact CG-CG1 4.02Å; L236-L250 HydrophobicContact CD2-CD2 4.26Å; L236-L254 HydrophobicContact CB-CD1 3.74Å; L236-V256 PolarHBondContact N-O 3.27Å; L236-L257 HydrophobicContact CB-CD1 4.23Å; L236-L257 HydrophobicContact CD2-CD1 3.92Å; L236-L257 HydrophobicContact CG-CD1 4.13Å; L236-H258 PolarHBondContact O-N 3.02Å |
| 237 | Y | 98.6 | Very high | 96.1 | Very high | 53 Ų | 53 | 44.5 Ų | 44.5 | 21% | 0.208 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 115.5 | 177.2 | -52.1 | -82.9 | 0 | 0 | 0 | 109.9 | L209 I210 D211 V212 S213 Y235 V256 H258 | L209-Y237 HydrophobicContact CD1-CE2 4.29Å; L209-Y237 HydrophobicContact CG-CE2 4.4Å; I210-Y237 PolarHBondContact O-N 2.81Å; D211-Y237 HydrophobicContact CB-CD2 4.11Å; V212-Y237 WeakPolarHBondContact CG2-O 3.34Å; V212-Y237 PolarHBondContact N-O 2.87Å; S213-Y237 WeakPolarHBondContact OG-CB 3.42Å; Y235-Y237 WeakPolarHBondContact CD1-OH 3.24Å; Y235-Y237 HydrophobicContact CG-CE2 4.48Å; Y237-V256 HydrophobicContact CE1-CG1 3.94Å; Y237-H258 HydrophobicContact CD1-CB 3.64Å; Y237-H258 AromaticContact CD1-CG 3.65Å; Y237-H258 AromaticContact CD1-ND1 3.45Å; Y237-H258 WeakPolarHBondContact CD1-ND1 3.29Å; Y237-H258 HydrophobicContact CE1-CB 4.32Å; Y237-H258 AromaticContact CE1-CE1 3.76Å; Y237-H258 AromaticContact CE1-CG 3.84Å; Y237-H258 AromaticContact CE1-ND1 3.45Å; Y237-H258 WeakPolarHBondContact CE1-ND1 3.25Å |
| 238 | I | 97.8 | Very high | 96 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | trans | -131.2 | 32.2 | 176.6 | -44 | 164.6 | 0 | 0 | 0 | 109.5 | V212 L217 I222 F227 L236 N241 L243 P247 H258 L259 N262 | V212-I238 HydrophobicContact CG2-CB 4.18Å; V212-I238 HydrophobicContact CG2-CG1 3.76Å; V212-I238 HydrophobicContact CG2-CG2 3.97Å; L217-I238 HydrophobicContact CD1-CG2 3.93Å; I222-I238 HydrophobicContact CD1-CD1 3.97Å; F227-I238 HydrophobicContact CE2-CD1 4.35Å; F227-I238 HydrophobicContact CZ-CD1 4.23Å; L236-I238 HydrophobicContact CD1-CD1 3.89Å; L236-I238 HydrophobicContact CD1-CG1 3.89Å; L236-I238 HydrophobicContact CD2-CD1 3.96Å; L236-I238 HydrophobicContact CG-CD1 3.84Å; L236-I238 HydrophobicContact CG-CG1 4.02Å; I238-N241 HydrophobicContact CG2-CB 4.18Å; I238-N241 PolarHBondContact O-ND2 2.91Å; I238-L243 HydrophobicContact CB-CD1 4.31Å; I238-L243 HydrophobicContact CD1-CD1 4.39Å; I238-L243 HydrophobicContact CG2-CD1 3.58Å; I238-L243 HydrophobicContact CG2-CG 4.33Å; I238-P247 HydrophobicContact CD1-CG 4.21Å; I238-H258 PolarHBondContact N-O 3.06Å; I238-L259 HydrophobicContact CB-CD2 4.01Å; I238-L259 HydrophobicContact CD1-CD2 4.17Å; I238-N262 PolarHBondContact O-ND2 3.28Å | ||
| 239 | T | 97.9 | Very high | 96.1 | Very high | 20 Ų | 20 | 45.7 Ų | 45.7 | 12% | 0.123 | 23% | 0.227 | C | C | . | . | trans | -62.7 | 151.9 | 179.4 | -49.2 | 0 | 0 | 0 | 0 | 111.3 | S213 N214 N241 Q260 | S213-T239 CarbonylContact C-O 3.47Å; S213-T239 WeakPolarHBondContact CA-O 3.3Å; N214-T239 PolarHBondContact N-O 2.86Å; T239-N241 PolarHBondContact O-N 2.93Å; T239-N241 PolarHBondContact O-ND2 2.96Å; T239-Q260 WeakPolarHBondContact CA-O 3.49Å; T239-Q260 HydrophobicContact CG2-CB 3.9Å; T239-Q260 PolarHBondContact OG1-OE1 3.14Å | ||
| 240 | D | 98.2 | Very high | 96.2 | Very high | 59 Ų | 59 | 41.6 Ų | 41.6 | 32% | 0.316 | 21% | 0.205 | S | C | . | . | S | Bend | trans | 52.9 | 58.5 | 175.9 | -64.5 | -55.2 | 0 | 0 | 0 | 112.5 | N214 N215 Q260 N261 | N214-D240 VanDerWaalsContact CA-O 3.26Å; N214-D240 WeakPolarHBondContact CA-O 3.18Å; N214-D240 HydrophobicContact CB-CB 4.38Å; N214-D240 PolarHBondContact N-O 3Å; N214-D240 VanDerWaalsContact ND2-CB 3.33Å; N214-D240 WeakPolarHBondContact ND2-CB 3.03Å; N214-D240 PolarHBondContact ND2-OD2 2.98Å; N215-D240 PolarHBondContact N-O 2.89Å; D240-Q260 PolarHBondContact N-O 3.28Å; D240-N261 WeakPolarHBondContact CA-O 3.31Å; D240-N261 WeakPolarHBondContact OD1-CB 3.24Å; D240-N261 PolarHBondContact OD1-ND2 2.9Å |
| 241 | N | 98.1 | Very high | 96.1 | Very high | 6 Ų | 6 | 41.7 Ų | 41.7 | 3% | 0.032 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -129 | -164.9 | 176 | -87.6 | -84 | 0 | 0 | 0 | 109.5 | V212 N215 R216 L217 I238 T239 N261 N262 | V212-N241 PolarHBondContact O-ND2 3.43Å; N215-N241 WeakPolarHBondContact CA-OD1 3.44Å; N215-N241 WeakPolarHBondContact CB-OD1 3.48Å; N215-N241 PolarHBondContact O-OD1 3.23Å; R216-N241 PolarHBondContact N-OD1 3.31Å; L217-N241 HydrophobicContact CB-CB 4.27Å; L217-N241 VanDerWaalsContact CB-OD1 3.29Å; L217-N241 WeakPolarHBondContact CB-OD1 3.29Å; L217-N241 WeakPolarHBondContact CG-OD1 3.48Å; L217-N241 PolarHBondContact N-OD1 2.97Å; I238-N241 HydrophobicContact CG2-CB 4.18Å; I238-N241 PolarHBondContact O-ND2 2.91Å; T239-N241 PolarHBondContact O-N 2.93Å; T239-N241 PolarHBondContact O-ND2 2.96Å; N241-N261 PolarHBondContact N-O 2.94Å; N241-N262 VanDerWaalsContact CA-OD1 3.28Å; N241-N262 WeakPolarHBondContact CA-OD1 3.35Å; N241-N262 WeakPolarHBondContact CB-OD1 3.36Å; N241-N262 PolarHBondContact N-OD1 3.1Å; N241-N262 PolarHBondContact O-OD1 3.03Å |
| 242 | N | 97.3 | Very high | 96 | Very high | 96 Ų | 96 | 40.4 Ų | 40.4 | 51% | 0.513 | 20% | 0.2 | S | C | . | . | trans | -120.4 | 29.1 | -178.4 | -55 | 117.4 | 0 | 0 | 0 | 111.9 | L217 G218 N262 | L217-N242 CarbonylContact O-C 3.12Å; L217-N242 VanDerWaalsContact O-CA 3.25Å; L217-N242 WeakPolarHBondContact O-CA 3.31Å; L217-N242 PolarHBondContact O-N 2.85Å; G218-N242 WeakPolarHBondContact CA-O 3.02Å; N242-N262 PolarHBondContact N-OD1 2.93Å | ||
| 243 | L | 96.4 | Very high | 95.9 | Very high | 3 Ų | 3 | 36.5 Ų | 36.5 | 2% | 0.016 | 19% | 0.185 | C | C | . | . | trans | -67.8 | 134 | 179.6 | -63.2 | -178.5 | 0 | 0 | 0 | 110.3 | L217 I222 I238 L259 N262 N263 I264 | L217-L243 HydrophobicContact CB-CD2 4.15Å; L217-L243 PolarHBondContact O-N 3.05Å; I222-L243 HydrophobicContact CD1-CD1 3.95Å; I222-L243 HydrophobicContact CD1-CD2 3.83Å; I222-L243 HydrophobicContact CG1-CD2 4.21Å; I238-L243 HydrophobicContact CB-CD1 4.31Å; I238-L243 HydrophobicContact CD1-CD1 4.39Å; I238-L243 HydrophobicContact CG2-CD1 3.58Å; I238-L243 HydrophobicContact CG2-CG 4.33Å; L243-L259 HydrophobicContact CD1-CD2 3.87Å; L243-N262 HydrophobicContact CB-CB 4.23Å; L243-N262 WeakPolarHBondContact CB-OD1 3.44Å; L243-N262 PolarHBondContact N-OD1 3.04Å; L243-N263 CarbonylContact O-C 3.38Å; L243-N263 WeakPolarHBondContact O-CA 3.41Å; L243-N263 WeakPolarHBondContact O-CB 3.47Å; L243-N263 PolarHBondContact O-N 3.38Å; L243-I264 PolarHBondContact O-N 3.42Å | ||
| 244 | D | 94.4 | Very high | 95.9 | Very high | 45 Ų | 45 | 36.5 Ų | 36.5 | 24% | 0.241 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -100.6 | -6.2 | 176.2 | 59.3 | -15 | 0 | 0 | 0 | 113.4 | R219 N263 | R219-D244 WeakPolarHBondContact CA-OD1 3.5Å; R219-D244 WeakPolarHBondContact CB-OD1 3.46Å; R219-D244 WeakPolarHBondContact CB-OD2 3.46Å; R219-D244 VanDerWaalsContact CD-OD2 3.23Å; R219-D244 WeakPolarHBondContact CD-OD2 3.08Å; R219-D244 VanDerWaalsContact CG-OD1 3.32Å; R219-D244 WeakPolarHBondContact CG-OD1 3.47Å; R219-D244 WeakPolarHBondContact CG-OD2 3.39Å; R219-D244 IonicContact NE-OD2 3.98Å; D244-N263 WeakPolarHBondContact CA-O 3.47Å |
| 245 | H | 93.6 | Very high | 95.9 | Very high | 66 Ų | 66 | 36.4 Ų | 36.4 | 31% | 0.306 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -148.9 | 161.1 | 179.2 | 64.4 | -74.5 | 0 | 0 | 0 | 110.8 | R219 | R219-H245 PolarHBondContact O-CE1 3.23Š|
| 246 | I | 94.2 | Very high | 95.9 | Very high | 9 Ų | 9 | 33.8 Ų | 33.8 | 5% | 0.046 | 18% | 0.176 | C | C | . | . | trans | -76.6 | 128.9 | 172.4 | -61 | 169.9 | 0 | 0 | 0 | 108.2 | L248 L250 L259 I264 M267 T271 F272 L290 | I246-L248 HydrophobicContact CG2-CD2 4.48Å; I246-L248 PolarHBondContact O-N 2.97Å; I246-L250 HydrophobicContact CG2-CD1 4.18Å; I246-L259 HydrophobicContact CB-CD1 4.49Å; I246-L259 HydrophobicContact CG1-CD1 4.04Å; I246-L259 HydrophobicContact CG2-CD1 4.1Å; I246-I264 HydrophobicContact CG1-CD1 4.04Å; I246-I264 HydrophobicContact CG1-CG2 4.12Å; I246-M267 HydrophobicContact CD1-CB 4.34Å; I246-M267 HydrophobicContact CD1-CG 4.12Å; I246-M267 HydrophobicContact CD1-SD 4.12Å; I246-T271 HydrophobicContact CB-CG2 4.24Å; I246-T271 HydrophobicContact CD1-CG2 3.75Å; I246-T271 HydrophobicContact CG2-CG2 4Å; I246-F272 HydrophobicContact CD1-CZ 4.1Å; I246-L290 HydrophobicContact CD1-CD2 4.2Å; I246-L290 HydrophobicContact CG1-CD2 4.41Å | ||
| 247 | P | 92.5 | Very high | 95.8 | Very high | 7 Ų | 7 | 33.8 Ų | 33.8 | 5% | 0.045 | 18% | 0.176 | C | C | . | . | trans | -71.5 | 114.4 | -178.9 | 28.1 | -33.5 | 0 | 0 | 0 | 110.7 | I222 F227 I238 L250 | I222-P247 HydrophobicContact CD1-CB 4.13Å; I222-P247 HydrophobicContact CD1-CG 4.16Å; I222-P247 HydrophobicContact CG2-CB 3.99Å; F227-P247 HydrophobicContact CD2-CB 4.07Å; F227-P247 HydrophobicContact CD2-CG 4.21Å; F227-P247 HydrophobicContact CE2-CB 3.72Å; F227-P247 HydrophobicContact CE2-CG 3.72Å; I238-P247 HydrophobicContact CD1-CG 4.21Å; P247-L250 WeakPolarHBondContact O-CD2 3.37Å; P247-L250 WeakPolarHBondContact O-CG 3.32Å | ||
| 248 | L | 92 | Very high | 95.8 | Very high | 67 Ų | 67 | 32.5 Ų | 32.5 | 35% | 0.351 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -114.1 | 153.3 | -179.6 | -66.7 | 173.6 | 0 | 0 | 0 | 111.8 | I246 L250 T271 | I246-L248 HydrophobicContact CG2-CD2 4.48Å; I246-L248 PolarHBondContact O-N 2.97Å; L248-L250 HydrophobicContact CD2-CD1 4.41Å; L248-L250 HydrophobicContact CD2-CG 4.23Å; L248-T271 HydrophobicContact CD1-CG2 4.33Å; L248-T271 HydrophobicContact CD2-CG2 3.98Å; L248-T271 WeakPolarHBondContact CD2-O 3.4Å |
| 249 | P | 93.4 | Very high | 95.8 | Very high | 50 Ų | 50 | 32.5 Ų | 32.5 | 33% | 0.325 | 17% | 0.172 | S | C | . | . | S | Bend | cis | -72.9 | 147.6 | -11.4 | 30.1 | -38.2 | 0 | 0 | 0 | 113.5 | E225 K228 | E225-P249 HydrophobicContact CG-CG 4.41Å; K228-P249 HydrophobicContact CB-CG 3.85Å; K228-P249 HydrophobicContact CD-CG 4.07Å; K228-P249 HydrophobicContact CG-CG 3.92Å |
| 250 | L | 94.3 | Very high | 95.8 | Very high | 17 Ų | 17 | 32.1 Ų | 32.1 | 9% | 0.089 | 17% | 0.169 | C | C | . | . | P | Polyproline II helix | trans | -91.1 | 142.6 | 171.5 | -65.3 | 169 | 0 | 0 | 0 | 110.6 | L236 I246 P247 L248 L254 L257 F272 | L236-L250 HydrophobicContact CD2-CD2 4.26Å; I246-L250 HydrophobicContact CG2-CD1 4.18Å; P247-L250 WeakPolarHBondContact O-CD2 3.37Å; P247-L250 WeakPolarHBondContact O-CG 3.32Å; L248-L250 HydrophobicContact CD2-CD1 4.41Å; L248-L250 HydrophobicContact CD2-CG 4.23Å; L250-L254 HydrophobicContact CB-CD2 4.38Å; L250-L254 HydrophobicContact CD1-CD2 4.46Å; L250-L254 HydrophobicContact CD2-CD2 4.14Å; L250-L257 HydrophobicContact CD1-CD2 3.68Å; L250-F272 HydrophobicContact CD1-CD1 4.02Å; L250-F272 HydrophobicContact CD1-CE1 3.72Å |
| 251 | P | 94.4 | Very high | 95.7 | Very high | 5 Ų | 5 | 33 Ų | 33 | 3% | 0.032 | 17% | 0.173 | C | C | . | . | P | Polyproline II helix | trans | -69.5 | 145.5 | -178.7 | 25.8 | -30.7 | 0 | 0 | 0 | 112.4 | L230 L233 S253 L254 R282 | L230-P251 VanDerWaalsContact O-CB 3.3Å; L230-P251 WeakPolarHBondContact O-CB 3.4Å; L233-P251 HydrophobicContact CB-CG 4.02Å; L233-P251 HydrophobicContact CD2-CG 3.98Å; P251-S253 PolarHBondContact O-N 2.81Å; P251-L254 HydrophobicContact CG-CB 4.3Å; P251-L254 VanDerWaalsContact O-CB 3.29Å; P251-L254 WeakPolarHBondContact O-CB 3.48Å; P251-L254 PolarHBondContact O-N 3.47Å; P251-L254 VanDerWaalsContact O-N 3.16Å; P251-R282 PolarHBondContact O-NH2 3.47Å |
| 252 | E | 92.4 | Very high | 95.7 | Very high | 98 Ų | 98 | 33.3 Ų | 33.3 | 46% | 0.458 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -23.7 | -178.3 | -70.2 | -80.6 | -178.7 | 0 | 0 | 113.3 | L254 K274 Y280 | E252-L254 VanDerWaalsContact C-N 3.3Å; E252-K274 WeakPolarHBondContact OE1-CE 3.34Å; E252-K274 IonicContact OE1-NZ 3.65Å; E252-K274 PolarHBondContact OE1-NZ 3.25Å; E252-Y280 VanDerWaalsContact CD-OH 3.29Å; E252-Y280 PolarHBondContact OE1-OH 2.66Å; E252-Y280 PolarHBondContact OE2-OH 3.49Å |
| 253 | S | 96.1 | Very high | 95.7 | Very high | 30 Ų | 30 | 32.4 Ų | 32.4 | 21% | 0.21 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77 | -11.5 | 177.6 | 46 | 0 | 0 | 0 | 0 | 114.6 | H231 L233 P251 Q255 | H231-S253 VanDerWaalsContact C-OG 3.25Å; H231-S253 WeakPolarHBondContact O-CB 3.1Å; H231-S253 PolarHBondContact O-OG 2.77Å; L233-S253 CarbonylContact O-C 3.47Å; L233-S253 VanDerWaalsContact O-C 3.23Å; L233-S253 PolarHBondContact O-OG 2.83Å; L233-S253 VanDerWaalsContact O-OG 3.1Å; P251-S253 PolarHBondContact O-N 2.81Å; S253-Q255 PolarHBondContact O-N 3.3Å |
| 254 | L | 97.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.17 | C | C | . | . | trans | -63.5 | 128.9 | -174.3 | -166.5 | 69.4 | 0 | 0 | 0 | 111.4 | L233 L236 L250 P251 E252 L257 A284 L285 | L233-L254 HydrophobicContact CD2-CD1 4.08Å; L233-L254 HydrophobicContact CG-CD1 4.06Å; L233-L254 VanDerWaalsContact O-CA 3.28Å; L233-L254 WeakPolarHBondContact O-CA 3.3Å; L233-L254 PolarHBondContact O-N 3.46Å; L236-L254 HydrophobicContact CB-CD1 3.74Å; L250-L254 HydrophobicContact CB-CD2 4.38Å; L250-L254 HydrophobicContact CD1-CD2 4.46Å; L250-L254 HydrophobicContact CD2-CD2 4.14Å; P251-L254 HydrophobicContact CG-CB 4.3Å; P251-L254 VanDerWaalsContact O-CB 3.29Å; P251-L254 WeakPolarHBondContact O-CB 3.48Å; P251-L254 PolarHBondContact O-N 3.47Å; P251-L254 VanDerWaalsContact O-N 3.16Å; E252-L254 VanDerWaalsContact C-N 3.3Å; L254-L257 HydrophobicContact CD2-CB 4.03Å; L254-L257 HydrophobicContact CD2-CD1 4.27Å; L254-A284 CarbonylContact O-C 3.51Å; L254-L285 HydrophobicContact CB-CD1 4.47Å; L254-L285 HydrophobicContact CD2-CD1 4.21Å; L254-L285 HydrophobicContact CG-CD1 4.15Å; L254-L285 VanDerWaalsContact O-CA 3.27Å; L254-L285 WeakPolarHBondContact O-CA 3.19Å; L254-L285 WeakPolarHBondContact O-CB 3.01Å; L254-L285 PolarHBondContact O-N 3.17Å | ||
| 255 | Q | 97.5 | Very high | 95.5 | Very high | 59 Ų | 59 | 35.9 Ų | 35.9 | 28% | 0.276 | 19% | 0.185 | S | C | . | . | trans | -106.6 | -40 | -179.2 | -61.2 | 177 | 18.3 | 0 | 0 | 113 | Q234 S253 A284 E286 D287 | Q234-Q255 HydrophobicContact CB-CG 4.32Å; Q234-Q255 HydrophobicContact CG-CG 4.45Å; Q234-Q255 WeakPolarHBondContact O-CA 3.36Å; Q234-Q255 PolarHBondContact O-N 3.29Å; S253-Q255 PolarHBondContact O-N 3.3Å; Q255-A284 WeakPolarHBondContact CA-O 3.3Å; Q255-E286 PolarHBondContact O-N 3.14Å; Q255-D287 PolarHBondContact O-N 3.04Å | ||
| 256 | V | 98.2 | Very high | 95.3 | Very high | 19 Ų | 19 | 39.6 Ų | 39.6 | 12% | 0.115 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 124.3 | -176.1 | -178.7 | 0 | 0 | 0 | 0 | 109.3 | Q234 Y235 L236 Y237 H258 D287 | Q234-V256 PolarHBondContact O-N 3.08Å; Y235-V256 HydrophobicContact CD1-CB 3.84Å; Y235-V256 HydrophobicContact CD1-CG2 3.69Å; Y235-V256 HydrophobicContact CE1-CB 4.45Å; Y235-V256 HydrophobicContact CE1-CG2 3.79Å; L236-V256 PolarHBondContact N-O 3.27Å; Y237-V256 HydrophobicContact CE1-CG1 3.94Å; V256-H258 WeakPolarHBondContact CG1-CD2 3.34Å; V256-H258 VanDerWaalsContact CG1-NE2 3.3Å; V256-H258 WeakPolarHBondContact CG1-NE2 3.28Å; V256-D287 WeakPolarHBondContact CA-O 3.39Å; V256-D287 HydrophobicContact CG1-CB 4.33Å; V256-D287 HydrophobicContact CG2-CB 4.3Å |
| 257 | L | 98 | Very high | 95.2 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 109.8 | 175 | 178.7 | 62.7 | 0 | 0 | 0 | 110.3 | L236 L250 L254 L259 F272 L285 D287 V288 R289 | L236-L257 HydrophobicContact CB-CD1 4.23Å; L236-L257 HydrophobicContact CD2-CD1 3.92Å; L236-L257 HydrophobicContact CG-CD1 4.13Å; L250-L257 HydrophobicContact CD1-CD2 3.68Å; L254-L257 HydrophobicContact CD2-CB 4.03Å; L254-L257 HydrophobicContact CD2-CD1 4.27Å; L257-L259 HydrophobicContact CD1-CD1 3.91Å; L257-L259 HydrophobicContact CD1-CG 3.92Å; L257-L259 HydrophobicContact CD2-CD1 3.75Å; L257-L259 HydrophobicContact CG-CD1 3.79Å; L257-L259 HydrophobicContact CG-CG 4.04Å; L257-F272 HydrophobicContact CD2-CE1 3.67Å; L257-F272 HydrophobicContact CD2-CZ 4.14Å; L257-L285 HydrophobicContact CB-CD1 4.18Å; L257-D287 PolarHBondContact N-O 2.77Å; L257-V288 HydrophobicContact CD2-CG1 4.43Å; L257-V288 WeakPolarHBondContact O-CA 3.07Å; L257-R289 PolarHBondContact O-N 3.37Å |
| 258 | H | 98.3 | Very high | 95.1 | Very high | 27 Ų | 27 | 45 Ų | 45 | 13% | 0.125 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 114.5 | 179.9 | -78.2 | -161.6 | 0 | 0 | 0 | 109.6 | L236 Y237 I238 V256 Q260 D287 | L236-H258 PolarHBondContact O-N 3.02Å; Y237-H258 HydrophobicContact CD1-CB 3.64Å; Y237-H258 AromaticContact CD1-CG 3.65Å; Y237-H258 AromaticContact CD1-ND1 3.45Å; Y237-H258 WeakPolarHBondContact CD1-ND1 3.29Å; Y237-H258 HydrophobicContact CE1-CB 4.32Å; Y237-H258 AromaticContact CE1-CE1 3.76Å; Y237-H258 AromaticContact CE1-CG 3.84Å; Y237-H258 AromaticContact CE1-ND1 3.45Å; Y237-H258 WeakPolarHBondContact CE1-ND1 3.25Å; I238-H258 PolarHBondContact N-O 3.06Å; V256-H258 WeakPolarHBondContact CG1-CD2 3.34Å; V256-H258 VanDerWaalsContact CG1-NE2 3.3Å; V256-H258 WeakPolarHBondContact CG1-NE2 3.28Å; H258-Q260 PolarHBondContact ND1-NE2 3.09Å; H258-D287 IonicContact CD2-OD2 3.5Å; H258-D287 IonicContact CE1-OD2 3.46Å; H258-D287 IonicContact NE2-OD2 3.22Å; H258-D287 PolarHBondContact NE2-OD2 2.95Å |
| 259 | L | 97.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 23% | 0.228 | C | C | . | . | trans | -128.4 | 20.1 | -176 | -74.1 | 168.8 | 0 | 0 | 0 | 111.6 | I238 L243 I246 L257 N262 I264 R289 L290 N293 | I238-L259 HydrophobicContact CB-CD2 4.01Å; I238-L259 HydrophobicContact CD1-CD2 4.17Å; L243-L259 HydrophobicContact CD1-CD2 3.87Å; I246-L259 HydrophobicContact CB-CD1 4.49Å; I246-L259 HydrophobicContact CG1-CD1 4.04Å; I246-L259 HydrophobicContact CG2-CD1 4.1Å; L257-L259 HydrophobicContact CD1-CD1 3.91Å; L257-L259 HydrophobicContact CD1-CG 3.92Å; L257-L259 HydrophobicContact CD2-CD1 3.75Å; L257-L259 HydrophobicContact CG-CD1 3.79Å; L257-L259 HydrophobicContact CG-CG 4.04Å; L259-N262 PolarHBondContact O-ND2 2.02Å; L259-I264 HydrophobicContact CB-CD1 4Å; L259-I264 HydrophobicContact CD1-CD1 4.11Å; L259-I264 HydrophobicContact CD2-CD1 4.4Å; L259-I264 HydrophobicContact CG-CD1 4.42Å; L259-R289 CarbonylContact C-O 3.58Å; L259-R289 WeakPolarHBondContact CA-O 3.02Å; L259-R289 PolarHBondContact N-O 2.84Å; L259-L290 HydrophobicContact CB-CD2 3.89Å; L259-L290 HydrophobicContact CD1-CD2 3.99Å; L259-N293 PolarHBondContact O-ND2 3.19Å | ||
| 260 | Q | 97.1 | Very high | 94.7 | Very high | 12 Ų | 12 | 47.7 Ų | 47.7 | 6% | 0.056 | 24% | 0.236 | C | C | . | . | trans | -60.3 | 154.6 | -176 | -43.7 | 87.2 | -27.8 | 0 | 0 | 111.4 | T239 D240 H258 N262 R289 D291 | T239-Q260 WeakPolarHBondContact CA-O 3.49Å; T239-Q260 HydrophobicContact CG2-CB 3.9Å; T239-Q260 PolarHBondContact OG1-OE1 3.14Å; D240-Q260 PolarHBondContact N-O 3.28Å; H258-Q260 PolarHBondContact ND1-NE2 3.09Å; Q260-N262 VanDerWaalsContact C-N 3.34Å; Q260-N262 PolarHBondContact O-N 3.01Å; Q260-N262 PolarHBondContact O-ND2 3.34Å; Q260-N262 VanDerWaalsContact O-ND2 3.13Å; Q260-R289 HydrophobicContact CG-CB 3.7Å; Q260-R289 PolarHBondContact N-O 2.94Å; Q260-R289 VanDerWaalsContact NE2-NE 3.16Å; Q260-D291 CarbonylContact C-O 3.56Å; Q260-D291 WeakPolarHBondContact CA-O 3.47Å; Q260-D291 VanDerWaalsContact CB-O 3.25Å; Q260-D291 WeakPolarHBondContact CB-O 3.36Å; Q260-D291 VanDerWaalsContact CG-CG 3.44Å; Q260-D291 WeakPolarHBondContact CG-OD1 3.27Å | ||
| 261 | N | 97.3 | Very high | 94.6 | Very high | 76 Ų | 76 | 47.2 Ų | 47.2 | 41% | 0.406 | 24% | 0.235 | S | C | . | . | S | Bend | trans | 52.3 | 50.3 | 175.3 | -55.7 | -25.3 | 0 | 0 | 0 | 112.9 | D240 N241 D291 | D240-N261 WeakPolarHBondContact CA-O 3.31Å; D240-N261 WeakPolarHBondContact OD1-CB 3.24Å; D240-N261 PolarHBondContact OD1-ND2 2.9Å; N241-N261 PolarHBondContact N-O 2.94Å; N261-D291 PolarHBondContact N-O 2.58Å |
| 262 | N | 97.5 | Very high | 94.5 | Very high | 13 Ų | 13 | 47.2 Ų | 47.2 | 7% | 0.07 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -115.1 | -165.2 | 169.3 | -83.4 | -85.7 | 0 | 0 | 0 | 108.9 | I238 N241 N242 L243 L259 Q260 I264 N293 | I238-N262 PolarHBondContact O-ND2 3.28Å; N241-N262 VanDerWaalsContact CA-OD1 3.28Å; N241-N262 WeakPolarHBondContact CA-OD1 3.35Å; N241-N262 WeakPolarHBondContact CB-OD1 3.36Å; N241-N262 PolarHBondContact N-OD1 3.1Å; N241-N262 PolarHBondContact O-OD1 3.03Å; N242-N262 PolarHBondContact N-OD1 2.93Å; L243-N262 HydrophobicContact CB-CB 4.23Å; L243-N262 WeakPolarHBondContact CB-OD1 3.44Å; L243-N262 PolarHBondContact N-OD1 3.04Å; L259-N262 PolarHBondContact O-ND2 2.02Å; Q260-N262 VanDerWaalsContact C-N 3.34Å; Q260-N262 PolarHBondContact O-N 3.01Å; Q260-N262 PolarHBondContact O-ND2 3.34Å; Q260-N262 VanDerWaalsContact O-ND2 3.13Å; N262-I264 HydrophobicContact CB-CD1 4.33Å; N262-I264 HydrophobicContact CB-CG1 4.18Å; N262-N293 WeakPolarHBondContact CA-OD1 3.37Å; N262-N293 WeakPolarHBondContact CB-OD1 3.29Å; N262-N293 PolarHBondContact N-OD1 2.79Å; N262-N293 PolarHBondContact O-OD1 3.24Å |
| 263 | N | 96.4 | Very high | 94.4 | Very high | 78 Ų | 78 | 43.3 Ų | 43.3 | 42% | 0.417 | 22% | 0.217 | S | C | . | . | trans | -114.7 | 30.9 | 178.2 | -168.4 | 46.2 | 0 | 0 | 0 | 112.3 | L243 D244 Q265 N293 | L243-N263 CarbonylContact O-C 3.38Å; L243-N263 WeakPolarHBondContact O-CA 3.41Å; L243-N263 WeakPolarHBondContact O-CB 3.47Å; L243-N263 PolarHBondContact O-N 3.38Å; D244-N263 WeakPolarHBondContact CA-O 3.47Å; N263-Q265 PolarHBondContact O-N 2.04Å; N263-N293 PolarHBondContact N-OD1 3.2Å | ||
| 264 | I | 95.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 23% | 0.227 | C | C | . | . | trans | -70 | 119.1 | -177.8 | -58.2 | 168.2 | 0 | 0 | 0 | 108.9 | L243 I246 L259 N262 L290 N293 P294 I295 | L243-I264 PolarHBondContact O-N 3.42Å; I246-I264 HydrophobicContact CG1-CD1 4.04Å; I246-I264 HydrophobicContact CG1-CG2 4.12Å; L259-I264 HydrophobicContact CB-CD1 4Å; L259-I264 HydrophobicContact CD1-CD1 4.11Å; L259-I264 HydrophobicContact CD2-CD1 4.4Å; L259-I264 HydrophobicContact CG-CD1 4.42Å; N262-I264 HydrophobicContact CB-CD1 4.33Å; N262-I264 HydrophobicContact CB-CG1 4.18Å; I264-L290 HydrophobicContact CD1-CD2 3.97Å; I264-N293 HydrophobicContact CB-CB 4.11Å; I264-N293 VanDerWaalsContact CB-OD1 3.32Å; I264-N293 WeakPolarHBondContact CB-OD1 3.29Å; I264-N293 WeakPolarHBondContact CG1-OD1 3.35Å; I264-N293 PolarHBondContact N-OD1 3.09Å; I264-P294 CarbonylContact O-C 3.15Å; I264-P294 VanDerWaalsContact O-CD 3.22Å; I264-P294 WeakPolarHBondContact O-CD 3.45Å; I264-P294 WeakPolarHBondContact O-CG 3.47Å; I264-I295 HydrophobicContact CG2-CD1 4.13Å; I264-I295 WeakPolarHBondContact O-CB 3.46Å; I264-I295 PolarHBondContact O-N 2.64Å; I264-I295 VanDerWaalsContact O-N 3.08Å | ||
| 265 | Q | 92.4 | Very high | 93 | Very high | 120 Ų | 120 | 51.1 Ų | 51.1 | 56% | 0.561 | 25% | 0.25 | S | S | * | . | trans | -99.6 | -33.9 | -175 | -72.5 | 171.2 | 62.2 | 0 | 0 | 113.2 | N263 P294 | N263-Q265 PolarHBondContact O-N 2.04Å; Q265-P294 HydrophobicContact CG-CG 3.8Å | ||
| 266 | E | 89.4 | Confident | 92.1 | Very high | 144 Ų | 144 | 58.2 Ų | 58.2 | 67% | 0.673 | 28% | 0.28 | S | S | * | . | trans | -147.1 | 166.4 | -175 | 65.6 | -177.4 | -177.9 | 0 | 0 | 111.6 | ||||
| 267 | M | 91.9 | Very high | 91.5 | Very high | 10 Ų | 10 | 60.8 Ų | 60.8 | 5% | 0.049 | 29% | 0.293 | C | S | . | . | trans | -145.8 | 136.4 | -178 | 171.6 | -179 | 54.4 | 0 | 0 | 108.2 | I246 T271 F272 I295 L297 T300 A303 Y304 | I246-M267 HydrophobicContact CD1-CB 4.34Å; I246-M267 HydrophobicContact CD1-CG 4.12Å; I246-M267 HydrophobicContact CD1-SD 4.12Å; M267-T271 HydrophobicContact CG-CG2 3.81Å; M267-T271 WeakPolarHBondContact CG-OG1 3.47Å; M267-T271 HydrophobicContact SD-CG2 4.08Å; M267-F272 HydrophobicContact SD-CD2 4Å; M267-F272 HydrophobicContact SD-CE2 3.54Å; M267-F272 VanDerWaalsContact SD-CE2 3.54Å; M267-F272 HydrophobicContact SD-CZ 4.49Å; M267-I295 HydrophobicContact CB-CD1 3.68Å; M267-L297 HydrophobicContact CE-CD2 4.03Å; M267-T300 WeakPolarHBondContact CE-OG1 3.46Å; M267-T300 WeakPolarHBondContact O-CG2 3.27Å; M267-T300 PolarHBondContact O-OG1 3.04Å; M267-A303 HydrophobicContact CE-CB 3.55Å; M267-A303 HydrophobicContact CG-CB 3.99Å; M267-A303 HydrophobicContact SD-CB 3.66Å; M267-Y304 HydrophobicContact CE-CD1 3.76Å; M267-Y304 HydrophobicContact CE-CE1 4.07Å | ||
| 268 | H | 90.2 | Very high | 90.5 | Very high | 121 Ų | 121 | 70 Ų | 70 | 56% | 0.56 | 33% | 0.333 | S | S | * | . | trans | -83.7 | 157 | 176.1 | -75.4 | -76.3 | 0 | 0 | 0 | 112.2 | D270 T271 A303 | H268-D270 VanDerWaalsContact CB-OD1 3.24Å; H268-D270 WeakPolarHBondContact CB-OD1 3.43Å; H268-D270 PolarHBondContact O-N 2.94Å; H268-D270 VanDerWaalsContact O-N 3.15Å; H268-T271 PolarHBondContact N-OG1 2.79Å; H268-T271 VanDerWaalsContact O-CB 3.3Å; H268-T271 WeakPolarHBondContact O-CB 3.5Å; H268-T271 PolarHBondContact O-N 2.73Å; H268-T271 VanDerWaalsContact O-N 3.09Å; H268-T271 PolarHBondContact O-OG1 3.36Å; H268-A303 VanDerWaalsContact O-CB 3.28Å; H268-A303 WeakPolarHBondContact O-CB 3.28Å | ||
| 269 | E | 88.9 | Confident | 89.8 | Confident | 78 Ų | 78 | 75.6 Ų | 75.6 | 36% | 0.364 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -19.1 | -179.1 | -62.7 | -177.5 | 171.8 | 0 | 0 | 113.7 | M275 A303 | E269-M275 HydrophobicContact CB-CE 3.85Å; E269-M275 HydrophobicContact CB-CG 4.19Å; E269-M275 HydrophobicContact CB-SD 3.78Å; E269-M275 WeakPolarHBondContact OE2-CE 3.49Å; E269-A303 WeakPolarHBondContact O-CA 3.42Å |
| 270 | D | 88.8 | Confident | 89.3 | Confident | 94 Ų | 94 | 77.1 Ų | 77.1 | 50% | 0.503 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | 9.1 | 177.9 | 65.7 | -18.7 | 0 | 0 | 0 | 114.2 | H268 C273 M275 | H268-D270 VanDerWaalsContact CB-OD1 3.24Å; H268-D270 WeakPolarHBondContact CB-OD1 3.43Å; H268-D270 PolarHBondContact O-N 2.94Å; H268-D270 VanDerWaalsContact O-N 3.15Å; D270-C273 CarbonylContact C-O 3.37Å; D270-C273 VanDerWaalsContact CA-O 3.28Å; D270-C273 WeakPolarHBondContact CA-O 3.45Å; D270-M275 HydrophobicContact CB-CG 3.87Å; D270-M275 HydrophobicContact CB-SD 4.29Å |
| 271 | T | 91.4 | Very high | 89 | Confident | 8 Ų | 8 | 80.3 Ų | 80.3 | 5% | 0.049 | 39% | 0.39 | C | S | . | . | S | Bend | trans | -62.4 | -51.2 | -174.7 | -60 | 0 | 0 | 0 | 0 | 112.4 | I246 L248 M267 H268 | I246-T271 HydrophobicContact CB-CG2 4.24Å; I246-T271 HydrophobicContact CD1-CG2 3.75Å; I246-T271 HydrophobicContact CG2-CG2 4Å; L248-T271 HydrophobicContact CD1-CG2 4.33Å; L248-T271 HydrophobicContact CD2-CG2 3.98Å; L248-T271 WeakPolarHBondContact CD2-O 3.4Å; M267-T271 HydrophobicContact CG-CG2 3.81Å; M267-T271 WeakPolarHBondContact CG-OG1 3.47Å; M267-T271 HydrophobicContact SD-CG2 4.08Å; H268-T271 PolarHBondContact N-OG1 2.79Å; H268-T271 VanDerWaalsContact O-CB 3.3Å; H268-T271 WeakPolarHBondContact O-CB 3.5Å; H268-T271 PolarHBondContact O-N 2.73Å; H268-T271 VanDerWaalsContact O-N 3.09Å; H268-T271 PolarHBondContact O-OG1 3.36Å |
| 272 | F | 92.9 | Very high | 88.8 | Confident | 5 Ų | 5 | 77.2 Ų | 77.2 | 2% | 0.022 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -110.8 | -26.2 | 176.2 | -50.6 | -68.9 | 0 | 0 | 0 | 113.5 | I246 L250 L257 M267 L285 V288 A303 L307 | I246-F272 HydrophobicContact CD1-CZ 4.1Å; L250-F272 HydrophobicContact CD1-CD1 4.02Å; L250-F272 HydrophobicContact CD1-CE1 3.72Å; L257-F272 HydrophobicContact CD2-CE1 3.67Å; L257-F272 HydrophobicContact CD2-CZ 4.14Å; M267-F272 HydrophobicContact SD-CD2 4Å; M267-F272 HydrophobicContact SD-CE2 3.54Å; M267-F272 VanDerWaalsContact SD-CE2 3.54Å; M267-F272 HydrophobicContact SD-CZ 4.49Å; F272-L285 HydrophobicContact CD1-CD2 3.62Å; F272-L285 HydrophobicContact CE1-CD2 4.08Å; F272-L285 HydrophobicContact CG-CD2 4.32Å; F272-V288 HydrophobicContact CE1-CG1 4.39Å; F272-V288 HydrophobicContact CE2-CG1 4.3Å; F272-V288 HydrophobicContact CZ-CG1 3.78Å; F272-A303 VanDerWaalsContact CB-O 3.26Å; F272-A303 WeakPolarHBondContact CB-O 3.43Å; F272-A303 WeakPolarHBondContact CD2-O 3.23Å; F272-A303 PolarHBondContact N-O 2.92Å; F272-L307 HydrophobicContact CB-CD1 4.32Å; F272-L307 HydrophobicContact CB-CD2 4.02Å; F272-L307 HydrophobicContact CB-CG 4.37Å; F272-L307 HydrophobicContact CD2-CD1 4.17Å; F272-L307 HydrophobicContact CG-CD1 4.23Å |
| 273 | C | 90.6 | Very high | 88.6 | Confident | 15 Ų | 15 | 86 Ų | 86 | 10% | 0.101 | 41% | 0.405 | C | S | . | . | S | Bend | trans | -108.3 | 151.2 | -173.5 | -56.5 | 0 | 0 | 0 | 0 | 112.3 | D270 M275 A303 C306 | D270-C273 CarbonylContact C-O 3.37Å; D270-C273 VanDerWaalsContact CA-O 3.28Å; D270-C273 WeakPolarHBondContact CA-O 3.45Å; C273-M275 PolarHBondContact O-N 2.77Å; C273-A303 PolarHBondContact N-O 3.28Å; C273-A303 VanDerWaalsContact SG-C 3.54Å; C273-A303 PolarHBondContact SG-O 2.94Å; C273-C306 WeakPolarHBondContact CA-SG 3.43Å; C273-C306 HydrophobicContact CB-CB 3.8Å; C273-C306 WeakPolarHBondContact CB-SG 3.31Å; C273-C306 WeakPolarHBondContact SG-CB 2.95Å; C273-C306 PolarHBondContact SG-N 2.99Å; C273-C306 CovalentContact SG-SG 2.03Å; C273-C306 PolarHBondContact SG-SG 3.1Å |
| 274 | K | 85.9 | Confident | 88.5 | Confident | 97 Ų | 97 | 84 Ų | 84 | 42% | 0.422 | 40% | 0.4 | S | S | . | . | trans | -86.7 | 107.1 | 176.1 | -67.7 | 176.9 | -175.2 | 166.2 | 0 | 109 | E252 K276 D277 Y280 | E252-K274 WeakPolarHBondContact OE1-CE 3.34Å; E252-K274 IonicContact OE1-NZ 3.65Å; E252-K274 PolarHBondContact OE1-NZ 3.25Å; K274-K276 PolarHBondContact O-N 3.4Å; K274-D277 HydrophobicContact CB-CB 4.24Å; K274-D277 PolarHBondContact O-N 3.27Å; K274-Y280 HydrophobicContact CB-CD1 4.09Å; K274-Y280 HydrophobicContact CB-CG 4.21Å; K274-Y280 HydrophobicContact CD-CD1 4.2Å; K274-Y280 HydrophobicContact CD-CD2 3.8Å; K274-Y280 HydrophobicContact CD-CE1 4.28Å; K274-Y280 HydrophobicContact CD-CE2 3.92Å; K274-Y280 HydrophobicContact CD-CG 3.95Å; K274-Y280 HydrophobicContact CG-CD1 3.96Å; K274-Y280 HydrophobicContact CG-CD2 4.46Å; K274-Y280 HydrophobicContact CG-CE1 4.06Å; K274-Y280 HydrophobicContact CG-CG 4.15Å | ||
| 275 | M | 76.7 | Confident | 88.5 | Confident | 98 Ų | 98 | 84.1 Ų | 84.1 | 48% | 0.483 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -23 | -178.6 | -75.1 | -161.9 | 80.4 | 0 | 0 | 115.2 | E269 D270 C273 | E269-M275 HydrophobicContact CB-CE 3.85Å; E269-M275 HydrophobicContact CB-CG 4.19Å; E269-M275 HydrophobicContact CB-SD 3.78Å; E269-M275 WeakPolarHBondContact OE2-CE 3.49Å; D270-M275 HydrophobicContact CB-CG 3.87Å; D270-M275 HydrophobicContact CB-SD 4.29Å; C273-M275 PolarHBondContact O-N 2.77Å |
| 276 | K | 80.3 | Confident | 88.6 | Confident | 208 Ų | 208 | 82.7 Ų | 82.7 | 90% | 0.904 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.9 | -3.7 | -179 | -63.8 | -175.7 | 179.9 | 178.3 | 0 | 114 | K274 | K274-K276 PolarHBondContact O-N 3.4Š|
| 277 | D | 83.7 | Confident | 89 | Confident | 73 Ų | 73 | 78.3 Ų | 78.3 | 39% | 0.39 | 38% | 0.375 | S | S | . | . | trans | -133.1 | 93.5 | -177.5 | -173.3 | -2.1 | 0 | 0 | 0 | 110.5 | K274 N279 Y280 | K274-D277 HydrophobicContact CB-CB 4.24Å; K274-D277 PolarHBondContact O-N 3.27Å; D277-N279 PolarHBondContact O-N 3.19Å; D277-N279 PolarHBondContact OD1-N 3.44Å; D277-N279 VanDerWaalsContact OD1-N 3.09Å; D277-Y280 WeakPolarHBondContact O-CB 3.04Å; D277-Y280 PolarHBondContact O-N 3.48Å; D277-Y280 VanDerWaalsContact O-N 3.13Å; D277-Y280 PolarHBondContact OD1-N 3.07Å | ||
| 278 | F | 77.1 | Confident | 89.2 | Confident | 192 Ų | 192 | 78.1 Ų | 78.1 | 84% | 0.842 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -12.5 | 179.8 | -60.9 | -74.3 | 0 | 0 | 0 | 113.8 | ||
| 279 | N | 84.1 | Confident | 89.5 | Confident | 145 Ų | 145 | 76.5 Ų | 76.5 | 78% | 0.775 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94 | -4.2 | 174.2 | -64.4 | -46.3 | 0 | 0 | 0 | 112.1 | D277 V281 | D277-N279 PolarHBondContact O-N 3.19Å; D277-N279 PolarHBondContact OD1-N 3.44Å; D277-N279 VanDerWaalsContact OD1-N 3.09Å; N279-V281 PolarHBondContact O-N 3.42Å |
| 280 | Y | 88.1 | Confident | 89.9 | Confident | 32 Ų | 32 | 72.8 Ų | 72.8 | 13% | 0.125 | 35% | 0.345 | C | S | . | . | trans | -67.1 | 122 | 177.9 | 176.4 | -104.1 | 0 | 0 | 0 | 109.7 | E252 K274 D277 R282 C306 | E252-Y280 VanDerWaalsContact CD-OH 3.29Å; E252-Y280 PolarHBondContact OE1-OH 2.66Å; E252-Y280 PolarHBondContact OE2-OH 3.49Å; K274-Y280 HydrophobicContact CB-CD1 4.09Å; K274-Y280 HydrophobicContact CB-CG 4.21Å; K274-Y280 HydrophobicContact CD-CD1 4.2Å; K274-Y280 HydrophobicContact CD-CD2 3.8Å; K274-Y280 HydrophobicContact CD-CE1 4.28Å; K274-Y280 HydrophobicContact CD-CE2 3.92Å; K274-Y280 HydrophobicContact CD-CG 3.95Å; K274-Y280 HydrophobicContact CG-CD1 3.96Å; K274-Y280 HydrophobicContact CG-CD2 4.46Å; K274-Y280 HydrophobicContact CG-CE1 4.06Å; K274-Y280 HydrophobicContact CG-CG 4.15Å; D277-Y280 WeakPolarHBondContact O-CB 3.04Å; D277-Y280 PolarHBondContact O-N 3.48Å; D277-Y280 VanDerWaalsContact O-N 3.13Å; D277-Y280 PolarHBondContact OD1-N 3.07Å; Y280-R282 HydrophobicContact CE1-CB 3.86Å; Y280-R282 WeakPolarHBondContact OH-CG 3.44Å; Y280-C306 HydrophobicContact CD1-CB 4.14Å; Y280-C306 WeakPolarHBondContact O-CB 3.45Å | ||
| 281 | V | 90.1 | Very high | 90.2 | Very high | 79 Ų | 79 | 70.2 Ų | 70.2 | 48% | 0.479 | 33% | 0.332 | S | S | . | . | trans | -121.8 | 118.8 | 174.5 | -179.3 | 0 | 0 | 0 | 0 | 107.8 | N279 R283 C306 | N279-V281 PolarHBondContact O-N 3.42Å; V281-R283 VanDerWaalsContact C-N 3.32Å; V281-R283 HydrophobicContact CB-CG 4.44Å; V281-R283 HydrophobicContact CG1-CG 3.77Å; V281-R283 PolarHBondContact O-N 3.28Å; V281-R283 VanDerWaalsContact O-N 3.08Å; V281-C306 WeakPolarHBondContact CA-O 3.49Å; V281-C306 WeakPolarHBondContact CG1-O 3.43Å | ||
| 282 | R | 93.6 | Very high | 90.4 | Very high | 12 Ų | 12 | 72 Ų | 72 | 5% | 0.045 | 35% | 0.351 | C | S | . | . | trans | -87.6 | 75.8 | 178.8 | -169.4 | 176.1 | -178.6 | 172.7 | 0.3 | 109.8 | P251 Y280 A284 L285 C306 L307 P308 | P251-R282 PolarHBondContact O-NH2 3.47Å; Y280-R282 HydrophobicContact CE1-CB 3.86Å; Y280-R282 WeakPolarHBondContact OH-CG 3.44Å; R282-A284 PolarHBondContact O-N 2.8Å; R282-L285 HydrophobicContact CG-CB 4Å; R282-L285 PolarHBondContact O-N 2.89Å; R282-C306 PolarHBondContact N-O 3.24Å; R282-L307 HydrophobicContact CB-CD2 4.01Å; R282-L307 HydrophobicContact CG-CD2 4.49Å; R282-P308 VanDerWaalsContact O-CD 3.29Å; R282-P308 WeakPolarHBondContact O-CD 3.15Å | ||
| 283 | R | 92.1 | Very high | 90.5 | Very high | 198 Ų | 198 | 72 Ų | 72 | 75% | 0.747 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -27.8 | -175 | -63.7 | -176.1 | -176.7 | 174.8 | 1 | 114.2 | V281 | V281-R283 VanDerWaalsContact C-N 3.32Å; V281-R283 HydrophobicContact CB-CG 4.44Å; V281-R283 HydrophobicContact CG1-CG 3.77Å; V281-R283 PolarHBondContact O-N 3.28Å; V281-R283 VanDerWaalsContact O-N 3.08Å |
| 284 | A | 94.5 | Very high | 90.7 | Very high | 36 Ų | 36 | 74.9 Ų | 74.9 | 30% | 0.298 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -41.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L254 Q255 R282 E286 | L254-A284 CarbonylContact O-C 3.51Å; Q255-A284 WeakPolarHBondContact CA-O 3.3Å; R282-A284 PolarHBondContact O-N 2.8Å; A284-E286 PolarHBondContact O-N 3.22Å; A284-E286 VanDerWaalsContact O-N 3.1Å |
| 285 | L | 96.1 | Very high | 91.1 | Very high | 1 Ų | 1 | 70.5 Ų | 70.5 | 1% | 0.005 | 35% | 0.351 | C | S | . | . | trans | -80.5 | 95.4 | -173.4 | -172.9 | 62.1 | 0 | 0 | 0 | 110.4 | L254 L257 F272 R282 V288 L307 P308 | L254-L285 HydrophobicContact CB-CD1 4.47Å; L254-L285 HydrophobicContact CD2-CD1 4.21Å; L254-L285 HydrophobicContact CG-CD1 4.15Å; L254-L285 VanDerWaalsContact O-CA 3.27Å; L254-L285 WeakPolarHBondContact O-CA 3.19Å; L254-L285 WeakPolarHBondContact O-CB 3.01Å; L254-L285 PolarHBondContact O-N 3.17Å; L257-L285 HydrophobicContact CB-CD1 4.18Å; F272-L285 HydrophobicContact CD1-CD2 3.62Å; F272-L285 HydrophobicContact CE1-CD2 4.08Å; F272-L285 HydrophobicContact CG-CD2 4.32Å; R282-L285 HydrophobicContact CG-CB 4Å; R282-L285 PolarHBondContact O-N 2.89Å; L285-V288 HydrophobicContact CD1-CG2 3.9Å; L285-V288 HydrophobicContact CD2-CG2 3.68Å; L285-V288 HydrophobicContact CG-CG2 3.61Å; L285-L307 HydrophobicContact CB-CD2 4.14Å; L285-L307 HydrophobicContact CD2-CD1 4.42Å; L285-L307 HydrophobicContact CD2-CD2 3.9Å; L285-L307 HydrophobicContact CG-CD2 4.27Å; L285-P308 VanDerWaalsContact O-CD 3.28Å; L285-P308 WeakPolarHBondContact O-CD 3.39Å; L285-P308 WeakPolarHBondContact O-CG 3.42Å | ||
| 286 | E | 94.6 | Very high | 91.8 | Very high | 90 Ų | 90 | 67 Ų | 67 | 42% | 0.421 | 34% | 0.335 | S | S | . | . | trans | -98.1 | -30 | -171 | -76.2 | -165.8 | -155.3 | 0 | 0 | 114.3 | Q255 A284 P308 R309 | Q255-E286 PolarHBondContact O-N 3.14Å; A284-E286 PolarHBondContact O-N 3.22Å; A284-E286 VanDerWaalsContact O-N 3.1Å; E286-P308 HydrophobicContact CG-CG 4.42Å; E286-R309 IonicContact OE2-CZ 2.91Å; E286-R309 IonicContact OE2-NH1 3.85Å; E286-R309 PolarHBondContact OE2-NH1 3.33Å; E286-R309 IonicContact OE2-NH2 3.77Å | ||
| 287 | D | 96.7 | Very high | 92.3 | Very high | 53 Ų | 53 | 57.3 Ų | 57.3 | 28% | 0.283 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 112 | -175.2 | -175.4 | 19.2 | 0 | 0 | 0 | 110.2 | Q255 V256 L257 H258 R289 | Q255-D287 PolarHBondContact O-N 3.04Å; V256-D287 WeakPolarHBondContact CA-O 3.39Å; V256-D287 HydrophobicContact CG1-CB 4.33Å; V256-D287 HydrophobicContact CG2-CB 4.3Å; L257-D287 PolarHBondContact N-O 2.77Å; H258-D287 IonicContact CD2-OD2 3.5Å; H258-D287 IonicContact CE1-OD2 3.46Å; H258-D287 IonicContact NE2-OD2 3.22Å; H258-D287 PolarHBondContact NE2-OD2 2.95Å; D287-R289 WeakPolarHBondContact OD1-CG 3.34Å |
| 288 | V | 97.1 | Very high | 92.7 | Very high | 5 Ų | 5 | 57 Ų | 57 | 3% | 0.03 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 118.3 | 176.6 | -178.1 | 0 | 0 | 0 | 0 | 108.1 | L257 F272 L285 L290 L307 P311 V312 | L257-V288 HydrophobicContact CD2-CG1 4.43Å; L257-V288 WeakPolarHBondContact O-CA 3.07Å; F272-V288 HydrophobicContact CE1-CG1 4.39Å; F272-V288 HydrophobicContact CE2-CG1 4.3Å; F272-V288 HydrophobicContact CZ-CG1 3.78Å; L285-V288 HydrophobicContact CD1-CG2 3.9Å; L285-V288 HydrophobicContact CD2-CG2 3.68Å; L285-V288 HydrophobicContact CG-CG2 3.61Å; V288-L290 HydrophobicContact CG1-CD1 4.24Å; V288-L290 HydrophobicContact CG1-CG 4.29Å; V288-L307 HydrophobicContact CG2-CD1 4.05Å; V288-P311 HydrophobicContact CB-CB 4.04Å; V288-P311 HydrophobicContact CB-CG 4.3Å; V288-P311 HydrophobicContact CG1-CB 3.99Å; V288-P311 HydrophobicContact CG1-CG 4.34Å; V288-P311 CarbonylContact O-C 3.05Å; V288-P311 VanDerWaalsContact O-CA 3.31Å; V288-P311 WeakPolarHBondContact O-CA 3.09Å; V288-V312 PolarHBondContact O-N 2.87Å |
| 289 | R | 97.1 | Very high | 93.3 | Very high | 87 Ų | 87 | 55.7 Ų | 55.7 | 33% | 0.328 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 118.7 | -179.3 | -64 | -163.9 | 59.4 | 176.7 | 2.4 | 111.2 | L257 L259 Q260 D287 D291 V312 | L257-R289 PolarHBondContact O-N 3.37Å; L259-R289 CarbonylContact C-O 3.58Å; L259-R289 WeakPolarHBondContact CA-O 3.02Å; L259-R289 PolarHBondContact N-O 2.84Å; Q260-R289 HydrophobicContact CG-CB 3.7Å; Q260-R289 PolarHBondContact N-O 2.94Å; Q260-R289 VanDerWaalsContact NE2-NE 3.16Å; D287-R289 WeakPolarHBondContact OD1-CG 3.34Å; R289-D291 IonicContact CZ-OD1 3.27Å; R289-D291 IonicContact CZ-OD2 3.28Å; R289-D291 IonicContact NE-OD1 2.89Å; R289-D291 PolarHBondContact NE-OD1 3.07Å; R289-D291 IonicContact NH2-OD1 3.42Å; R289-D291 PolarHBondContact NH2-OD1 3.3Å; R289-D291 IonicContact NH2-OD2 2.8Å; R289-D291 PolarHBondContact NH2-OD2 3.43Å; R289-V312 HydrophobicContact CG-CB 4.27Å; R289-V312 HydrophobicContact CG-CG2 4.36Å |
| 290 | L | 96.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.261 | C | S | . | . | trans | -124 | 7.7 | -178.3 | -70 | 165.6 | 0 | 0 | 0 | 111.6 | I246 L259 I264 V288 N293 I295 L297 P311 V312 | I246-L290 HydrophobicContact CD1-CD2 4.2Å; I246-L290 HydrophobicContact CG1-CD2 4.41Å; L259-L290 HydrophobicContact CB-CD2 3.89Å; L259-L290 HydrophobicContact CD1-CD2 3.99Å; I264-L290 HydrophobicContact CD1-CD2 3.97Å; V288-L290 HydrophobicContact CG1-CD1 4.24Å; V288-L290 HydrophobicContact CG1-CG 4.29Å; L290-N293 WeakPolarHBondContact O-CB 3.37Å; L290-N293 PolarHBondContact O-N 2.97Å; L290-N293 PolarHBondContact O-ND2 3.01Å; L290-I295 HydrophobicContact CB-CG2 4.33Å; L290-L297 HydrophobicContact CD1-CD2 3.95Å; L290-P311 HydrophobicContact CD1-CB 4.35Å; L290-V312 CarbonylContact C-O 3.51Å; L290-V312 WeakPolarHBondContact CA-O 3.47Å; L290-V312 PolarHBondContact N-O 3.26Å | ||
| 291 | D | 95.3 | Very high | 93.7 | Very high | 40 Ų | 40 | 50.4 Ų | 50.4 | 21% | 0.214 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | 146.5 | 177 | 46.9 | -64.4 | 0 | 0 | 0 | 112.5 | Q260 N261 R289 N293 V312 | Q260-D291 CarbonylContact C-O 3.56Å; Q260-D291 WeakPolarHBondContact CA-O 3.47Å; Q260-D291 VanDerWaalsContact CB-O 3.25Å; Q260-D291 WeakPolarHBondContact CB-O 3.36Å; Q260-D291 VanDerWaalsContact CG-CG 3.44Å; Q260-D291 WeakPolarHBondContact CG-OD1 3.27Å; N261-D291 PolarHBondContact N-O 2.58Å; R289-D291 IonicContact CZ-OD1 3.27Å; R289-D291 IonicContact CZ-OD2 3.28Å; R289-D291 IonicContact NE-OD1 2.89Å; R289-D291 PolarHBondContact NE-OD1 3.07Å; R289-D291 IonicContact NH2-OD1 3.42Å; R289-D291 PolarHBondContact NH2-OD1 3.3Å; R289-D291 IonicContact NH2-OD2 2.8Å; R289-D291 PolarHBondContact NH2-OD2 3.43Å; D291-N293 VanDerWaalsContact C-N 3.27Å; D291-N293 PolarHBondContact O-N 3.03Å; D291-V312 HydrophobicContact CB-CG1 4.4Å; D291-V312 PolarHBondContact N-O 3.01Å |
| 292 | G | 94.9 | Very high | 93.7 | Very high | 45 Ų | 45 | 53.3 Ų | 53.3 | 46% | 0.464 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.2 | 10.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 293 | N | 96.3 | Very high | 93.7 | Very high | 5 Ų | 5 | 52.7 Ų | 52.7 | 3% | 0.027 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -102.2 | 151.2 | 168.1 | -71.9 | -88.1 | 0 | 0 | 0 | 111.4 | L259 N262 N263 I264 L290 D291 I295 | L259-N293 PolarHBondContact O-ND2 3.19Å; N262-N293 WeakPolarHBondContact CA-OD1 3.37Å; N262-N293 WeakPolarHBondContact CB-OD1 3.29Å; N262-N293 PolarHBondContact N-OD1 2.79Å; N262-N293 PolarHBondContact O-OD1 3.24Å; N263-N293 PolarHBondContact N-OD1 3.2Å; I264-N293 HydrophobicContact CB-CB 4.11Å; I264-N293 VanDerWaalsContact CB-OD1 3.32Å; I264-N293 WeakPolarHBondContact CB-OD1 3.29Å; I264-N293 WeakPolarHBondContact CG1-OD1 3.35Å; I264-N293 PolarHBondContact N-OD1 3.09Å; L290-N293 WeakPolarHBondContact O-CB 3.37Å; L290-N293 PolarHBondContact O-N 2.97Å; L290-N293 PolarHBondContact O-ND2 3.01Å; D291-N293 VanDerWaalsContact C-N 3.27Å; D291-N293 PolarHBondContact O-N 3.03Å; N293-I295 HydrophobicContact CB-CB 4.47Å; N293-I295 HydrophobicContact CB-CG2 3.9Å; N293-I295 PolarHBondContact O-N 3.27Å |
| 294 | P | 94.7 | Very high | 93.7 | Very high | 76 Ų | 76 | 44.4 Ų | 44.4 | 49% | 0.494 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -74.9 | 28.5 | 173.1 | 33.7 | -36.9 | 0 | 0 | 0 | 113.9 | I264 Q265 | I264-P294 CarbonylContact O-C 3.15Å; I264-P294 VanDerWaalsContact O-CD 3.22Å; I264-P294 WeakPolarHBondContact O-CD 3.45Å; I264-P294 WeakPolarHBondContact O-CG 3.47Å; Q265-P294 HydrophobicContact CG-CG 3.8Å |
| 295 | I | 94 | Very high | 93.5 | Very high | 5 Ų | 5 | 48.2 Ų | 48.2 | 3% | 0.026 | 25% | 0.251 | C | S | . | . | trans | -86.7 | 138.5 | 178.5 | -170.7 | 169.8 | 0 | 0 | 0 | 110.6 | I264 M267 L290 N293 L297 | I264-I295 HydrophobicContact CG2-CD1 4.13Å; I264-I295 WeakPolarHBondContact O-CB 3.46Å; I264-I295 PolarHBondContact O-N 2.64Å; I264-I295 VanDerWaalsContact O-N 3.08Å; M267-I295 HydrophobicContact CB-CD1 3.68Å; L290-I295 HydrophobicContact CB-CG2 4.33Å; N293-I295 HydrophobicContact CB-CB 4.47Å; N293-I295 HydrophobicContact CB-CG2 3.9Å; N293-I295 PolarHBondContact O-N 3.27Å; I295-L297 HydrophobicContact CD1-CD2 4.12Å; I295-L297 HydrophobicContact CG1-CD2 4.37Å; I295-L297 HydrophobicContact CG2-CD2 4.45Å | ||
| 296 | N | 91.9 | Very high | 93.3 | Very high | 26 Ų | 26 | 48.8 Ų | 48.8 | 14% | 0.139 | 25% | 0.254 | C | S | . | . | trans | -105.8 | 105.7 | 170 | 179.8 | -22.4 | 0 | 0 | 0 | 109.3 | S298 K299 I316 | N296-S298 VanDerWaalsContact C-N 3.26Å; N296-S298 PolarHBondContact O-N 3.15Å; N296-S298 WeakPolarHBondContact OD1-CA 3.47Å; N296-S298 VanDerWaalsContact OD1-CB 3.23Å; N296-S298 WeakPolarHBondContact OD1-CB 3.49Å; N296-S298 PolarHBondContact OD1-N 3.16Å; N296-K299 HydrophobicContact CB-CD 4.17Å; N296-K299 HydrophobicContact CB-CG 4.16Å; N296-K299 PolarHBondContact O-N 3.4Å; N296-I316 VanDerWaalsContact CG-O 3.24Å; N296-I316 PolarHBondContact ND2-O 3.07Å; N296-I316 PolarHBondContact ND2-OXT 3.11Å | ||
| 297 | L | 91.2 | Very high | 93.3 | Very high | 4 Ų | 4 | 45.3 Ų | 45.3 | 2% | 0.021 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -67.3 | -26.4 | -178.2 | -63.8 | 177.6 | 0 | 0 | 0 | 112.9 | M267 L290 I295 K299 T300 Y304 P311 N314 L315 | M267-L297 HydrophobicContact CE-CD2 4.03Å; L290-L297 HydrophobicContact CD1-CD2 3.95Å; I295-L297 HydrophobicContact CD1-CD2 4.12Å; I295-L297 HydrophobicContact CG1-CD2 4.37Å; I295-L297 HydrophobicContact CG2-CD2 4.45Å; L297-K299 PolarHBondContact O-N 3.24Å; L297-T300 PolarHBondContact O-N 3.25Å; L297-Y304 HydrophobicContact CB-CE1 4.25Å; L297-Y304 PolarHBondContact O-OH 2.66Å; L297-Y304 VanDerWaalsContact O-OH 3.14Å; L297-P311 HydrophobicContact CD1-CB 4.38Å; L297-N314 WeakPolarHBondContact CG-O 3.2Å; L297-N314 PolarHBondContact N-O 3.2Å; L297-N314 VanDerWaalsContact N-O 3.09Å; L297-L315 HydrophobicContact CB-CD2 3.86Å |
| 298 | S | 90.7 | Very high | 93.1 | Very high | 67 Ų | 67 | 46 Ų | 46 | 47% | 0.469 | 25% | 0.246 | S | C | . | . | G | 310 helix | trans | -67 | -19 | 179.2 | -55.9 | 0 | 0 | 0 | 0 | 113.1 | N296 L315 | N296-S298 VanDerWaalsContact C-N 3.26Å; N296-S298 PolarHBondContact O-N 3.15Å; N296-S298 WeakPolarHBondContact OD1-CA 3.47Å; N296-S298 VanDerWaalsContact OD1-CB 3.23Å; N296-S298 WeakPolarHBondContact OD1-CB 3.49Å; N296-S298 PolarHBondContact OD1-N 3.16Å; S298-L315 PolarHBondContact OG-O 3.11Å |
| 299 | K | 90.9 | Very high | 92.9 | Very high | 164 Ų | 164 | 52.9 Ų | 52.9 | 71% | 0.713 | 27% | 0.272 | S | S | * | . | G | 310 helix | trans | -72.7 | -31.2 | 177.2 | -70.1 | -175.6 | 179.3 | 177.1 | 0 | 113.2 | N296 L297 | N296-K299 HydrophobicContact CB-CD 4.17Å; N296-K299 HydrophobicContact CB-CG 4.16Å; N296-K299 PolarHBondContact O-N 3.4Å; L297-K299 PolarHBondContact O-N 3.24Å |
| 300 | T | 90.6 | Very high | 92.7 | Very high | 25 Ų | 25 | 55.2 Ų | 55.2 | 15% | 0.153 | 29% | 0.29 | C | S | . | . | trans | -135.3 | 63.8 | -173.4 | 50 | 0 | 0 | 0 | 0 | 112.5 | M267 L297 Y302 A303 Y304 | M267-T300 WeakPolarHBondContact CE-OG1 3.46Å; M267-T300 WeakPolarHBondContact O-CG2 3.27Å; M267-T300 PolarHBondContact O-OG1 3.04Å; L297-T300 PolarHBondContact O-N 3.25Å; T300-Y302 VanDerWaalsContact C-N 3.3Å; T300-Y302 PolarHBondContact O-N 2.98Å; T300-A303 VanDerWaalsContact O-CB 3.32Å; T300-A303 WeakPolarHBondContact O-CB 3.47Å; T300-A303 PolarHBondContact O-N 3.15Å; T300-Y304 WeakPolarHBondContact O-CE1 3.39Å | ||
| 301 | P | 90.2 | Very high | 92.6 | Very high | 40 Ų | 40 | 55.8 Ų | 55.8 | 26% | 0.26 | 29% | 0.294 | S | S | . | . | G | 310 helix | trans | -65 | -32.5 | -176.4 | 28.3 | -36.2 | 0 | 0 | 0 | 113.1 | A303 Y304 M305 | P301-A303 PolarHBondContact O-N 3.4Å; P301-A303 VanDerWaalsContact O-N 3.14Å; P301-Y304 PolarHBondContact O-N 3.23Å; P301-M305 HydrophobicContact CB-CE 3.8Å; P301-M305 HydrophobicContact CG-CE 4.15Å; P301-M305 WeakPolarHBondContact O-CG 3.3Å; P301-M305 PolarHBondContact O-N 3.49Å |
| 302 | Y | 89.8 | Confident | 92.6 | Very high | 140 Ų | 140 | 57.2 Ų | 57.2 | 55% | 0.549 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -60.8 | -23.5 | 179.2 | -61.4 | -67.2 | 0 | 0 | 0 | 113.7 | T300 Y304 M305 | T300-Y302 VanDerWaalsContact C-N 3.3Å; T300-Y302 PolarHBondContact O-N 2.98Å; Y302-Y304 PolarHBondContact O-N 2.77Å; Y302-M305 HydrophobicContact CD1-CE 3.66Å; Y302-M305 HydrophobicContact CD1-SD 3.6Å; Y302-M305 VanDerWaalsContact CD1-SD 3.6Å; Y302-M305 HydrophobicContact CE1-CE 3.74Å; Y302-M305 HydrophobicContact CE1-SD 3.97Å; Y302-M305 HydrophobicContact CG-CE 4.33Å |
| 303 | A | 91.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -64.4 | -22.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | M267 H268 E269 F272 C273 T300 P301 | M267-A303 HydrophobicContact CE-CB 3.55Å; M267-A303 HydrophobicContact CG-CB 3.99Å; M267-A303 HydrophobicContact SD-CB 3.66Å; H268-A303 VanDerWaalsContact O-CB 3.28Å; H268-A303 WeakPolarHBondContact O-CB 3.28Å; E269-A303 WeakPolarHBondContact O-CA 3.42Å; F272-A303 VanDerWaalsContact CB-O 3.26Å; F272-A303 WeakPolarHBondContact CB-O 3.43Å; F272-A303 WeakPolarHBondContact CD2-O 3.23Å; F272-A303 PolarHBondContact N-O 2.92Å; C273-A303 PolarHBondContact N-O 3.28Å; C273-A303 VanDerWaalsContact SG-C 3.54Å; C273-A303 PolarHBondContact SG-O 2.94Å; T300-A303 VanDerWaalsContact O-CB 3.32Å; T300-A303 WeakPolarHBondContact O-CB 3.47Å; T300-A303 PolarHBondContact O-N 3.15Å; P301-A303 PolarHBondContact O-N 3.4Å; P301-A303 VanDerWaalsContact O-N 3.14Å |
| 304 | Y | 92.4 | Very high | 91.8 | Very high | 23 Ų | 23 | 60.1 Ų | 60.1 | 9% | 0.09 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -130.8 | 5.6 | -175.3 | 54.8 | -98.3 | 0 | 0 | 0 | 114.6 | M267 L297 T300 P301 Y302 C306 L307 L310 P311 | M267-Y304 HydrophobicContact CE-CD1 3.76Å; M267-Y304 HydrophobicContact CE-CE1 4.07Å; L297-Y304 HydrophobicContact CB-CE1 4.25Å; L297-Y304 PolarHBondContact O-OH 2.66Å; L297-Y304 VanDerWaalsContact O-OH 3.14Å; T300-Y304 WeakPolarHBondContact O-CE1 3.39Å; P301-Y304 PolarHBondContact O-N 3.23Å; Y302-Y304 PolarHBondContact O-N 2.77Å; Y304-C306 PolarHBondContact O-N 3.21Å; Y304-L307 WeakPolarHBondContact O-CB 3.15Å; Y304-L307 WeakPolarHBondContact O-CG 3.42Å; Y304-L307 PolarHBondContact O-N 3.18Å; Y304-L310 HydrophobicContact CD2-CD2 3.84Å; Y304-L310 HydrophobicContact CE2-CD2 3.7Å; Y304-P311 HydrophobicContact CD1-CG 4.29Å; Y304-P311 HydrophobicContact CD2-CG 4.36Å; Y304-P311 HydrophobicContact CG-CG 3.88Å |
| 305 | M | 91.1 | Very high | 91 | Very high | 117 Ų | 117 | 61.5 Ų | 61.5 | 58% | 0.576 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -24.1 | 178.2 | -76.7 | -174.7 | -169 | 0 | 0 | 114 | P301 Y302 L307 | P301-M305 HydrophobicContact CB-CE 3.8Å; P301-M305 HydrophobicContact CG-CE 4.15Å; P301-M305 WeakPolarHBondContact O-CG 3.3Å; P301-M305 PolarHBondContact O-N 3.49Å; Y302-M305 HydrophobicContact CD1-CE 3.66Å; Y302-M305 HydrophobicContact CD1-SD 3.6Å; Y302-M305 VanDerWaalsContact CD1-SD 3.6Å; Y302-M305 HydrophobicContact CE1-CE 3.74Å; Y302-M305 HydrophobicContact CE1-SD 3.97Å; Y302-M305 HydrophobicContact CG-CE 4.33Å; M305-L307 PolarHBondContact O-N 3.42Å |
| 306 | C | 92.1 | Very high | 89.7 | Confident | 12 Ų | 12 | 70.4 Ų | 70.4 | 8% | 0.081 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -6.2 | 176.3 | 64.4 | 0 | 0 | 0 | 0 | 113.6 | C273 Y280 V281 R282 Y304 | C273-C306 WeakPolarHBondContact CA-SG 3.43Å; C273-C306 HydrophobicContact CB-CB 3.8Å; C273-C306 WeakPolarHBondContact CB-SG 3.31Å; C273-C306 WeakPolarHBondContact SG-CB 2.95Å; C273-C306 PolarHBondContact SG-N 2.99Å; C273-C306 CovalentContact SG-SG 2.03Å; C273-C306 PolarHBondContact SG-SG 3.1Å; Y280-C306 HydrophobicContact CD1-CB 4.14Å; Y280-C306 WeakPolarHBondContact O-CB 3.45Å; V281-C306 WeakPolarHBondContact CA-O 3.49Å; V281-C306 WeakPolarHBondContact CG1-O 3.43Å; R282-C306 PolarHBondContact N-O 3.24Å; Y304-C306 PolarHBondContact O-N 3.21Å |
| 307 | L | 94.2 | Very high | 89.6 | Confident | 17 Ų | 17 | 72.7 Ų | 72.7 | 9% | 0.089 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -83.6 | 145.3 | -177.7 | -58.2 | -173.7 | 0 | 0 | 0 | 110.9 | F272 R282 L285 V288 Y304 M305 R309 P311 | F272-L307 HydrophobicContact CB-CD1 4.32Å; F272-L307 HydrophobicContact CB-CD2 4.02Å; F272-L307 HydrophobicContact CB-CG 4.37Å; F272-L307 HydrophobicContact CD2-CD1 4.17Å; F272-L307 HydrophobicContact CG-CD1 4.23Å; R282-L307 HydrophobicContact CB-CD2 4.01Å; R282-L307 HydrophobicContact CG-CD2 4.49Å; L285-L307 HydrophobicContact CB-CD2 4.14Å; L285-L307 HydrophobicContact CD2-CD1 4.42Å; L285-L307 HydrophobicContact CD2-CD2 3.9Å; L285-L307 HydrophobicContact CG-CD2 4.27Å; V288-L307 HydrophobicContact CG2-CD1 4.05Å; Y304-L307 WeakPolarHBondContact O-CB 3.15Å; Y304-L307 WeakPolarHBondContact O-CG 3.42Å; Y304-L307 PolarHBondContact O-N 3.18Å; M305-L307 PolarHBondContact O-N 3.42Å; L307-R309 WeakPolarHBondContact CB-O 3.41Å; L307-R309 PolarHBondContact O-N 3.24Å; L307-P311 HydrophobicContact CD1-CG 4.14Å |
| 308 | P | 92.8 | Very high | 89.5 | Confident | 69 Ų | 69 | 76.3 Ų | 76.3 | 45% | 0.448 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -67.3 | -24 | 175.9 | 28.2 | -36.1 | 0 | 0 | 0 | 113 | R282 L285 E286 | R282-P308 VanDerWaalsContact O-CD 3.29Å; R282-P308 WeakPolarHBondContact O-CD 3.15Å; L285-P308 VanDerWaalsContact O-CD 3.28Å; L285-P308 WeakPolarHBondContact O-CD 3.39Å; L285-P308 WeakPolarHBondContact O-CG 3.42Å; E286-P308 HydrophobicContact CG-CG 4.42Å |
| 309 | R | 92.9 | Very high | 89.5 | Confident | 149 Ų | 149 | 76.8 Ų | 76.8 | 56% | 0.562 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -134.7 | 147.5 | 178 | -61 | -168.4 | 180 | 113.7 | 3.2 | 110.1 | E286 L307 | E286-R309 IonicContact OE2-CZ 2.91Å; E286-R309 IonicContact OE2-NH1 3.85Å; E286-R309 PolarHBondContact OE2-NH1 3.33Å; E286-R309 IonicContact OE2-NH2 3.77Å; L307-R309 WeakPolarHBondContact CB-O 3.41Å; L307-R309 PolarHBondContact O-N 3.24Å |
| 310 | L | 92.6 | Very high | 89.4 | Confident | 136 Ų | 136 | 71.6 Ų | 71.6 | 71% | 0.712 | 37% | 0.368 | S | S | * | . | P | Polyproline II helix | trans | -69.6 | 139.6 | 176.8 | -67.6 | 169.7 | 0 | 0 | 0 | 110.4 | Y304 | Y304-L310 HydrophobicContact CD2-CD2 3.84Å; Y304-L310 HydrophobicContact CE2-CD2 3.7Å |
| 311 | P | 94.5 | Very high | 89.3 | Confident | 12 Ų | 12 | 74.6 Ų | 74.6 | 8% | 0.078 | 38% | 0.382 | C | S | . | . | P | Polyproline II helix | trans | -59.6 | 143.3 | 171.5 | -22.9 | 33.4 | 0 | 0 | 0 | 112 | V288 L290 L297 Y304 L307 | V288-P311 HydrophobicContact CB-CB 4.04Å; V288-P311 HydrophobicContact CB-CG 4.3Å; V288-P311 HydrophobicContact CG1-CB 3.99Å; V288-P311 HydrophobicContact CG1-CG 4.34Å; V288-P311 CarbonylContact O-C 3.05Å; V288-P311 VanDerWaalsContact O-CA 3.31Å; V288-P311 WeakPolarHBondContact O-CA 3.09Å; L290-P311 HydrophobicContact CD1-CB 4.35Å; L297-P311 HydrophobicContact CD1-CB 4.38Å; Y304-P311 HydrophobicContact CD1-CG 4.29Å; Y304-P311 HydrophobicContact CD2-CG 4.36Å; Y304-P311 HydrophobicContact CG-CG 3.88Å; L307-P311 HydrophobicContact CD1-CG 4.14Å |
| 312 | V | 94.6 | Very high | 89.2 | Confident | 70 Ų | 70 | 76.9 Ų | 76.9 | 42% | 0.424 | 39% | 0.39 | S | S | . | . | B | Isolated β-bridge | trans | -82.7 | 120.6 | 172.5 | -176.8 | 0 | 0 | 0 | 0 | 108.7 | V288 R289 L290 D291 | V288-V312 PolarHBondContact O-N 2.87Å; R289-V312 HydrophobicContact CG-CB 4.27Å; R289-V312 HydrophobicContact CG-CG2 4.36Å; L290-V312 CarbonylContact C-O 3.51Å; L290-V312 WeakPolarHBondContact CA-O 3.47Å; L290-V312 PolarHBondContact N-O 3.26Å; D291-V312 HydrophobicContact CB-CG1 4.4Å; D291-V312 PolarHBondContact N-O 3.01Å |
| 313 | G | 88.9 | Confident | 89.2 | Confident | 22 Ų | 22 | 72.4 Ų | 72.4 | 23% | 0.227 | 38% | 0.378 | C | S | . | . | S | Bend | trans | 177.6 | -175.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 314 | N | 85.1 | Confident | 89 | Confident | 88 Ų | 88 | 77.9 Ų | 77.9 | 47% | 0.471 | 41% | 0.408 | S | S | . | . | trans | -80.4 | 139.7 | -179.3 | -72.7 | -16.5 | 0 | 0 | 0 | 111.8 | L297 | L297-N314 WeakPolarHBondContact CG-O 3.2Å; L297-N314 PolarHBondContact N-O 3.2Å; L297-N314 VanDerWaalsContact N-O 3.09Å | ||
| 315 | L | 79.1 | Confident | 88.7 | Confident | 105 Ų | 105 | 82.5 Ų | 82.5 | 55% | 0.55 | 43% | 0.434 | S | S | . | . | trans | -108.6 | 6.5 | -178.9 | -70.7 | 166.3 | 0 | 0 | 0 | 113.4 | L297 S298 | L297-L315 HydrophobicContact CB-CD2 3.86Å; S298-L315 PolarHBondContact OG-O 3.11Å | ||
| 316 | I | 66.6 | Low | 88.5 | Confident | 193 Ų | 193 | 79.4 Ų | 79.4 | 99% | 0.99 | 42% | 0.421 | S | S | * | . | trans | -100.9 | 0 | -166 | -48.4 | 173.3 | 0 | 0 | 0 | 111.2 | N296 | N296-I316 VanDerWaalsContact CG-O 3.24Å; N296-I316 PolarHBondContact ND2-O 3.07Å; N296-I316 PolarHBondContact ND2-OXT 3.11Å |
Retrieved 316 of 316 residues in 1733 ms
(Link to these results)