| 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 | 44.6 | Very low | 41.5 | Very low | 241 Ų | 241 | 143.5 Ų | 143.5 | 100% | 1.187 | 82% | 0.822 | S | S | * | * | 0 | 88.4 | 0 | -59 | -166.5 | 178.9 | 0 | 0 | 106 | |||||
| 2 | A | 35.4 | Very low | 41.3 | Very low | 104 Ų | 104 | 139.3 Ų | 139.3 | 86% | 0.86 | 81% | 0.807 | S | S | * | * | 56.9 | 115.3 | 96.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 3 | A | 44.3 | Very low | 41.2 | Very low | 83 Ų | 83 | 142.8 Ų | 142.8 | 69% | 0.686 | 81% | 0.811 | S | S | * | * | -167 | 142.9 | 58.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 4 | D | 39.6 | Very low | 41.2 | Very low | 162 Ų | 162 | 139.6 Ų | 139.6 | 87% | 0.866 | 80% | 0.799 | S | S | * | * | trans | 45 | 130 | 134.9 | -52.4 | -58 | 0 | 0 | 0 | 120.4 | ||||
| 5 | G | 37.5 | Very low | 41.5 | Very low | 74 Ų | 74 | 140.9 Ų | 140.9 | 76% | 0.763 | 80% | 0.8 | S | S | * | * | cis | 100.6 | 91.1 | 36.2 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 6 | E | 46 | Very low | 41.6 | Very low | 196 Ų | 196 | 141.3 Ų | 141.3 | 92% | 0.916 | 80% | 0.799 | S | S | * | * | trans | -145.8 | 109.1 | 154.3 | -142.8 | -167.6 | 98.8 | 0 | 0 | 111.7 | ||||
| 7 | R | 38.2 | Very low | 41.5 | Very low | 218 Ų | 218 | 137.8 Ų | 137.8 | 82% | 0.823 | 80% | 0.802 | S | S | * | * | trans | -100 | 143.2 | 172.2 | 174.1 | -175.8 | -170.6 | 178.1 | 2.4 | 106.1 | ||||
| 8 | S | 46.4 | Very low | 41.3 | Very low | 112 Ų | 112 | 134.2 Ų | 134.2 | 78% | 0.783 | 80% | 0.799 | S | S | * | * | trans | -159.7 | 148.3 | 143.4 | -93.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 9 | P | 39.9 | Very low | 41.2 | Very low | 93 Ų | 93 | 133.1 Ų | 133.1 | 60% | 0.604 | 81% | 0.806 | S | S | * | * | trans | -116.4 | -179.1 | -136.4 | 25.2 | -3.4 | 0 | 0 | 0 | 111.4 | ||||
| 10 | L | 43.1 | Very low | 41.1 | Very low | 146 Ų | 146 | 130.7 Ų | 130.7 | 76% | 0.764 | 81% | 0.81 | S | S | * | * | 170.6 | 118.3 | 127.3 | -83.8 | -170.1 | 0 | 0 | 0 | 110.4 | |||||
| 11 | L | 41.2 | Very low | 41.1 | Very low | 150 Ų | 150 | 127.6 Ų | 127.6 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | trans | 60.1 | 132.5 | 141.4 | -73.1 | 154.7 | 0 | 0 | 0 | 118.6 | ||||
| 12 | S | 39.1 | Very low | 41 | Very low | 92 Ų | 92 | 124.6 Ų | 124.6 | 64% | 0.643 | 79% | 0.793 | S | S | * | * | cis | 177 | 117.2 | 0.6 | 22.5 | 0 | 0 | 0 | 0 | 103.8 | ||||
| 13 | E | 39.8 | Very low | 41.2 | Very low | 185 Ų | 185 | 122.6 Ų | 122.6 | 86% | 0.864 | 78% | 0.782 | S | S | * | * | 80.3 | 161.5 | 100.7 | -113.4 | -160.1 | 127.3 | 0 | 0 | 115 | |||||
| 14 | P | 42 | Very low | 41.1 | Very low | 98 Ų | 98 | 126.8 Ų | 126.8 | 64% | 0.636 | 79% | 0.792 | S | S | * | * | -129.4 | 177.3 | -99.7 | 41.1 | -24.4 | 0 | 0 | 0 | 114.6 | |||||
| 15 | I | 45.8 | Very low | 41.6 | Very low | 159 Ų | 159 | 125.6 Ų | 125.6 | 82% | 0.815 | 79% | 0.79 | S | S | * | * | trans | 171.1 | 143 | 162 | -98.1 | 148.9 | 0 | 0 | 0 | 107 | ||||
| 16 | D | 43.6 | Very low | 41.6 | Very low | 147 Ų | 147 | 125.4 Ų | 125.4 | 79% | 0.786 | 79% | 0.788 | S | S | * | * | cis | -172.4 | 149.1 | -26.1 | -101.9 | -43.2 | 0 | 0 | 0 | 105.2 | ||||
| 17 | G | 39.4 | Very low | 41.6 | Very low | 83 Ų | 83 | 122.5 Ų | 122.5 | 86% | 0.856 | 79% | 0.786 | S | S | * | * | trans | 73.4 | 135.3 | 155.2 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 18 | G | 37 | Very low | 41.5 | Very low | 72 Ų | 72 | 115.9 Ų | 115.9 | 74% | 0.742 | 79% | 0.786 | S | S | * | * | cis | 158.4 | 144.6 | 7 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 19 | A | 40.6 | Very low | 41.1 | Very low | 113 Ų | 113 | 113.6 Ų | 113.6 | 93% | 0.934 | 78% | 0.78 | S | S | * | * | trans | 60.4 | 122.3 | 159.2 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 20 | G | 39.1 | Very low | 41.1 | Very low | 86 Ų | 86 | 115.2 Ų | 115.2 | 89% | 0.887 | 79% | 0.794 | S | S | * | * | 121.1 | 146.3 | 52.1 | 0 | 0 | 0 | 0 | 0 | 106.5 | |||||
| 21 | G | 41.6 | Very low | 40.8 | Very low | 66 Ų | 66 | 111.9 Ų | 111.9 | 68% | 0.68 | 79% | 0.794 | S | S | * | * | cis | -177.7 | 165.2 | -1.9 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 22 | N | 41.1 | Very low | 40.8 | Very low | 178 Ų | 178 | 109.8 Ų | 109.8 | 95% | 0.952 | 80% | 0.799 | S | S | * | * | trans | 58.6 | 137.6 | 153.8 | -55.4 | -1.2 | 0 | 0 | 0 | 119.4 | ||||
| 23 | G | 39.5 | Very low | 40.7 | Very low | 62 Ų | 62 | 108.9 Ų | 108.9 | 64% | 0.639 | 80% | 0.804 | S | S | * | * | cis | 159.5 | 155 | 5.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 24 | L | 43.8 | Very low | 41.1 | Very low | 171 Ų | 171 | 106.7 Ų | 106.7 | 90% | 0.895 | 81% | 0.806 | S | S | * | * | trans | 71.2 | 139.2 | 149.3 | -55.7 | 166.7 | 0 | 0 | 0 | 116.6 | ||||
| 25 | V | 48.9 | Very low | 40.8 | Very low | 137 Ų | 137 | 105.8 Ų | 105.8 | 83% | 0.83 | 81% | 0.814 | S | S | * | * | cis | -168.5 | 153 | 16.9 | 125.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 26 | G | 37.9 | Very low | 40.5 | Very low | 70 Ų | 70 | 102.2 Ų | 102.2 | 72% | 0.722 | 82% | 0.817 | S | S | * | * | trans | 158.1 | 93.9 | 160 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 27 | P | 46.8 | Very low | 39.9 | Very low | 134 Ų | 134 | 98.6 Ų | 98.6 | 87% | 0.87 | 82% | 0.815 | S | S | * | * | trans | -84.2 | 171.6 | 176.1 | 37.2 | -32.2 | 0 | 0 | 0 | 110.4 | ||||
| 28 | G | 36.1 | Very low | 40.2 | Very low | 80 Ų | 80 | 103.1 Ų | 103.1 | 83% | 0.825 | 82% | 0.818 | S | S | * | * | cis | 144.7 | 153.6 | 22.5 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 29 | G | 37.2 | Very low | 40.4 | Very low | 63 Ų | 63 | 105.8 Ų | 105.8 | 65% | 0.649 | 82% | 0.82 | S | S | * | * | trans | 128.8 | 94.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 30 | S | 39.9 | Very low | 40.7 | Very low | 128 Ų | 128 | 105.9 Ų | 105.9 | 90% | 0.895 | 81% | 0.811 | S | S | * | * | cis | 39.8 | 124.8 | 49.9 | 55.2 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 31 | G | 37.1 | Very low | 40.8 | Very low | 75 Ų | 75 | 107.2 Ų | 107.2 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | cis | 173.6 | 178 | 2.7 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 32 | A | 39.7 | Very low | 40.7 | Very low | 107 Ų | 107 | 108.5 Ų | 108.5 | 88% | 0.884 | 81% | 0.811 | S | S | * | * | trans | 80.8 | 116.6 | 163.1 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 33 | G | 38.3 | Very low | 41.3 | Very low | 73 Ų | 73 | 105.1 Ų | 105.1 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | trans | -77.1 | -150.4 | 161.4 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 34 | P | 47.3 | Very low | 41.4 | Very low | 138 Ų | 138 | 106.8 Ų | 106.8 | 90% | 0.896 | 80% | 0.799 | S | S | * | * | cis | -140.5 | -176.3 | 21.2 | 38.8 | -17.8 | 0 | 0 | 0 | 115.6 | ||||
| 35 | G | 36.9 | Very low | 41.6 | Very low | 79 Ų | 79 | 108.5 Ų | 108.5 | 81% | 0.814 | 79% | 0.794 | S | S | * | * | trans | 126.2 | 122.2 | 141.8 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 36 | G | 38.5 | Very low | 41 | Very low | 84 Ų | 84 | 105.6 Ų | 105.6 | 87% | 0.866 | 79% | 0.793 | S | S | * | * | trans | 75.7 | 107.5 | 153.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 37 | G | 32.2 | Very low | 41.1 | Very low | 72 Ų | 72 | 107.8 Ų | 107.8 | 74% | 0.742 | 80% | 0.804 | S | S | * | * | cis | 89.8 | 100.3 | 42 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 38 | L | 44.6 | Very low | 40.7 | Very low | 177 Ų | 177 | 104.8 Ų | 104.8 | 93% | 0.927 | 80% | 0.798 | S | S | * | * | trans | 177.7 | 108.9 | 156.3 | -92.7 | 163.1 | 0 | 0 | 0 | 108.8 | ||||
| 39 | T | 42.2 | Very low | 41 | Very low | 129 Ų | 129 | 110.9 Ų | 110.9 | 79% | 0.791 | 80% | 0.801 | S | S | * | * | trans | -66.1 | 157.3 | 166.3 | 50.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 40 | P | 46.7 | Very low | 41.2 | Very low | 114 Ų | 114 | 117.5 Ų | 117.5 | 74% | 0.74 | 82% | 0.815 | S | S | * | * | -149.5 | 135.7 | 108.6 | 28.5 | -8 | 0 | 0 | 0 | 116.2 | |||||
| 41 | S | 41 | Very low | 41.6 | Very low | 115 Ų | 115 | 115.9 Ų | 115.9 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | 59.8 | 120.2 | 122.1 | -41.9 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 42 | A | 38.3 | Very low | 42.5 | Very low | 93 Ų | 93 | 117.7 Ų | 117.7 | 77% | 0.769 | 81% | 0.807 | S | S | * | * | trans | -67.7 | 157.3 | 168 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 43 | P | 55.1 | Low | 43.1 | Very low | 107 Ų | 107 | 118.6 Ų | 118.6 | 70% | 0.695 | 80% | 0.804 | S | S | * | * | trans | -91 | 149.8 | 160.5 | 33.8 | -26 | 0 | 0 | 0 | 111.7 | Y45 | P43-Y45 HydrophobicContact CB-CE2 4.2Š| ||
| 44 | P | 41.7 | Very low | 43.8 | Very low | 97 Ų | 97 | 124.1 Ų | 124.1 | 63% | 0.63 | 81% | 0.811 | S | S | * | * | trans | -86.2 | -145.3 | -178.5 | 37.2 | -34.8 | 0 | 0 | 0 | 111.1 | ||||
| 45 | Y | 47 | Very low | 43.8 | Very low | 206 Ų | 206 | 122.1 Ų | 122.1 | 81% | 0.808 | 81% | 0.805 | S | S | * | * | trans | 96.2 | 83 | 176.4 | -36.2 | -62.3 | 0 | 0 | 0 | 115.4 | P43 | P43-Y45 HydrophobicContact CB-CE2 4.2Š| ||
| 46 | G | 36.4 | Very low | 44.5 | Very low | 77 Ų | 77 | 127.6 Ų | 127.6 | 79% | 0.794 | 81% | 0.807 | S | S | * | * | trans | -81.9 | -169.1 | 152.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 47 | A | 39.7 | Very low | 45.7 | Very low | 115 Ų | 115 | 128.2 Ų | 128.2 | 95% | 0.95 | 80% | 0.796 | S | S | * | * | trans | 87.6 | 90.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 48 | G | 39.4 | Very low | 46.9 | Very low | 72 Ų | 72 | 130.8 Ų | 130.8 | 74% | 0.742 | 80% | 0.8 | S | S | * | * | trans | -175.5 | 66.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 49 | K | 41.6 | Very low | 47.2 | Very low | 208 Ų | 208 | 131.5 Ų | 131.5 | 90% | 0.904 | 80% | 0.796 | S | S | * | * | trans | 44.6 | 111.9 | 153.4 | -60.4 | -175.9 | -179.8 | -178.3 | 0 | 119.5 | ||||
| 50 | H | 41.6 | Very low | 47.9 | Very low | 201 Ų | 201 | 131 Ų | 131 | 93% | 0.931 | 79% | 0.794 | S | S | * | * | trans | -49.9 | 135.3 | 167.1 | -66.2 | -89.6 | 0 | 0 | 0 | 114.2 | ||||
| 51 | A | 49.1 | Very low | 47.6 | Very low | 95 Ų | 95 | 134.7 Ų | 134.7 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | trans | -130.3 | 120.4 | 153.8 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 52 | P | 55.8 | Low | 47.8 | Very low | 112 Ų | 112 | 132.3 Ų | 132.3 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | trans | -75.6 | 157.9 | -179.4 | 30.1 | -31.8 | 0 | 0 | 0 | 111.6 | Q54 | P52-Q54 PolarHBondContact O-N 3.09Š| ||
| 53 | P | 51.4 | Low | 48.5 | Very low | 127 Ų | 127 | 136.3 Ų | 136.3 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | trans | -67.1 | 133 | -172.7 | 27.7 | -32.4 | 0 | 0 | 0 | 110.8 | A55 | P53-A55 PolarHBondContact O-N 2.93Š| ||
| 54 | Q | 52.8 | Low | 48.3 | Very low | 189 Ų | 189 | 136.5 Ų | 136.5 | 88% | 0.883 | 80% | 0.799 | S | S | * | * | trans | -62.8 | 115 | 177.9 | -66.1 | -172.4 | -51.1 | 0 | 0 | 110 | P52 | P52-Q54 PolarHBondContact O-N 3.09Š| ||
| 55 | A | 47.8 | Very low | 48.2 | Very low | 95 Ų | 95 | 136.8 Ų | 136.8 | 79% | 0.785 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 141.7 | 171 | 0 | 0 | 0 | 0 | 0 | 110.3 | P53 | P53-A55 PolarHBondContact O-N 2.93Š|
| 56 | F | 51.5 | Low | 48.2 | Very low | 194 Ų | 194 | 132.7 Ų | 132.7 | 85% | 0.851 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 147.4 | 175.2 | -71.3 | -90.7 | 0 | 0 | 0 | 111.3 | ||
| 57 | P | 63.2 | Low | 49.1 | Very low | 98 Ų | 98 | 136 Ų | 136 | 64% | 0.636 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 147.9 | -175.2 | 27 | -34.1 | 0 | 0 | 0 | 112.1 | ||
| 58 | P | 57.7 | Low | 49.3 | Very low | 126 Ų | 126 | 137 Ų | 137 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 131.2 | 175.6 | -0.3 | 15.6 | 0 | 0 | 0 | 109.6 | ||
| 59 | F | 51 | Low | 50.1 | Low | 192 Ų | 192 | 137 Ų | 137 | 84% | 0.842 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 134.8 | 168.6 | -79.3 | -85.1 | 0 | 0 | 0 | 109.4 | E61 | F59-E61 PolarHBondContact O-N 3.1Š|
| 60 | P | 56.9 | Low | 50.4 | Low | 117 Ų | 117 | 135.6 Ų | 135.6 | 76% | 0.76 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 124.2 | -169.6 | 25.4 | -32.7 | 0 | 0 | 0 | 112.3 | G62 | P60-G62 PolarHBondContact O-N 3.15Å; P60-G62 VanDerWaalsContact O-N 3.16Å |
| 61 | E | 41.5 | Very low | 51.2 | Low | 193 Ų | 193 | 133.1 Ų | 133.1 | 90% | 0.902 | 79% | 0.792 | S | S | * | * | trans | -60.9 | 107.3 | 161.8 | -82.7 | 148.9 | 129 | 0 | 0 | 109.4 | F59 | F59-E61 PolarHBondContact O-N 3.1Š| ||
| 62 | G | 43.6 | Very low | 52.1 | Low | 64 Ų | 64 | 133.8 Ų | 133.8 | 66% | 0.66 | 79% | 0.788 | S | S | * | * | trans | -155.9 | 46.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | P60 | P60-G62 PolarHBondContact O-N 3.15Å; P60-G62 VanDerWaalsContact O-N 3.16Å | ||
| 63 | H | 54.1 | Low | 52.4 | Low | 177 Ų | 177 | 134.1 Ų | 134.1 | 82% | 0.819 | 79% | 0.79 | S | S | * | * | trans | -88.1 | 118.5 | 169.2 | -58.9 | -68.2 | 0 | 0 | 0 | 108.1 | A65 | H63-A65 PolarHBondContact O-N 2.93Š| ||
| 64 | P | 49.8 | Very low | 52.8 | Low | 111 Ų | 111 | 133.3 Ų | 133.3 | 72% | 0.721 | 79% | 0.785 | S | S | * | * | trans | -62.8 | 124.4 | 165.8 | 25.8 | -28.3 | 0 | 0 | 0 | 107.3 | V66 | P64-V66 VanDerWaalsContact C-N 3.31Å; P64-V66 PolarHBondContact O-N 3.31Å | ||
| 65 | A | 40.5 | Very low | 52.5 | Low | 104 Ų | 104 | 134.8 Ų | 134.8 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | trans | -57.1 | 94.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109 | H63 | H63-A65 PolarHBondContact O-N 2.93Š| ||
| 66 | V | 47.2 | Very low | 52.5 | Low | 120 Ų | 120 | 134.2 Ų | 134.2 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | trans | -85.6 | 127.4 | 165.1 | 179.4 | 0 | 0 | 0 | 0 | 106.9 | P64 | P64-V66 VanDerWaalsContact C-N 3.31Å; P64-V66 PolarHBondContact O-N 3.31Å | ||
| 67 | L | 54.8 | Low | 52.3 | Low | 147 Ų | 147 | 130.6 Ų | 130.6 | 77% | 0.77 | 77% | 0.77 | S | S | * | * | trans | -53.3 | 154.1 | -169.6 | -70.6 | 157.8 | 0 | 0 | 0 | 113.9 | G69 | L67-G69 PolarHBondContact O-N 3.06Å; L67-G69 VanDerWaalsContact O-N 3.14Å | ||
| 68 | P | 44.5 | Very low | 51.4 | Low | 134 Ų | 134 | 132.9 Ų | 132.9 | 87% | 0.87 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.1 | 111.8 | 177.6 | 26.5 | -31.7 | 0 | 0 | 0 | 110 | ||
| 69 | G | 55.6 | Low | 50.7 | Low | 72 Ų | 72 | 132.6 Ų | 132.6 | 74% | 0.742 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 157 | -2.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 118.6 | L67 | L67-G69 PolarHBondContact O-N 3.06Å; L67-G69 VanDerWaalsContact O-N 3.14Å |
| 70 | E | 47.6 | Very low | 50.3 | Low | 179 Ų | 179 | 128.3 Ų | 128.3 | 84% | 0.836 | 77% | 0.766 | S | S | * | * | trans | -115.3 | 100.5 | -176.3 | -143.7 | 125.4 | 99 | 0 | 0 | 111.1 | ||||
| 71 | D | 59.7 | Low | 49.8 | Very low | 150 Ų | 150 | 128.8 Ų | 128.8 | 80% | 0.802 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 139.8 | 175.1 | -72.6 | -47.8 | 0 | 0 | 0 | 110.8 | ||
| 72 | P | 66.6 | Low | 49.9 | Very low | 108 Ų | 108 | 126.7 Ų | 126.7 | 70% | 0.701 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 143.6 | 175.1 | 25.5 | -33.1 | 0 | 0 | 0 | 110.5 | ||
| 73 | P | 63.4 | Low | 49.6 | Very low | 119 Ų | 119 | 129.7 Ų | 129.7 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 134.5 | -168.8 | 20 | -32.5 | 0 | 0 | 0 | 111.8 | Y75 | P73-Y75 PolarHBondContact O-N 2.92Š|
| 74 | P | 58.9 | Low | 49.2 | Very low | 111 Ų | 111 | 124.3 Ų | 124.3 | 72% | 0.721 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 129.1 | 176.1 | -18.9 | 29 | 0 | 0 | 0 | 109.2 | S76 | P74-S76 PolarHBondContact O-N 3.14Å; P74-S76 PolarHBondContact O-OG 2.76Å |
| 75 | Y | 47.1 | Very low | 49.1 | Very low | 220 Ų | 220 | 125.2 Ų | 125.2 | 86% | 0.863 | 78% | 0.776 | S | S | * | * | trans | -55.2 | 94.2 | 169.5 | -168.1 | -90.3 | 0 | 0 | 0 | 107.7 | P73 P77 | P73-Y75 PolarHBondContact O-N 2.92Å; Y75-P77 WeakPolarHBondContact O-CD 3.25Å | ||
| 76 | S | 48.1 | Very low | 49.9 | Very low | 83 Ų | 83 | 121 Ų | 121 | 58% | 0.58 | 74% | 0.741 | S | S | * | * | trans | -73.3 | 112.7 | 179.9 | -68.9 | 0 | 0 | 0 | 0 | 106.5 | P74 L78 | P74-S76 PolarHBondContact O-N 3.14Å; P74-S76 PolarHBondContact O-OG 2.76Å; S76-L78 PolarHBondContact O-N 3.25Å | ||
| 77 | P | 45.7 | Very low | 51.3 | Low | 118 Ų | 118 | 117.5 Ų | 117.5 | 77% | 0.766 | 72% | 0.721 | S | S | * | * | trans | -74.8 | 89.7 | 174.7 | 31.8 | -26.6 | 0 | 0 | 0 | 105.6 | Y75 T79 | Y75-P77 WeakPolarHBondContact O-CD 3.25Å; P77-T79 PolarHBondContact O-N 3.45Å | ||
| 78 | L | 45.1 | Very low | 52.5 | Low | 146 Ų | 146 | 116.7 Ų | 116.7 | 76% | 0.764 | 72% | 0.715 | S | S | * | * | trans | -77.8 | 111 | -178.5 | -132.3 | 80.8 | 0 | 0 | 0 | 109 | S76 | S76-L78 PolarHBondContact O-N 3.25Š| ||
| 79 | T | 43.2 | Very low | 54.4 | Low | 120 Ų | 120 | 112.3 Ų | 112.3 | 74% | 0.736 | 68% | 0.684 | S | S | * | * | S | Bend | trans | 74 | 128 | 153.5 | 89.6 | 0 | 0 | 0 | 0 | 115.5 | P77 | P77-T79 PolarHBondContact O-N 3.45Š|
| 80 | S | 42.1 | Very low | 56 | Low | 102 Ų | 102 | 112.8 Ų | 112.8 | 71% | 0.713 | 67% | 0.673 | S | S | * | * | cis | -162.2 | 140.4 | 5.6 | 28.3 | 0 | 0 | 0 | 0 | 106.7 | D82 | S80-D82 PolarHBondContact O-N 2.93Š| ||
| 81 | P | 47.5 | Very low | 57.9 | Low | 127 Ų | 127 | 104.3 Ų | 104.3 | 83% | 0.825 | 63% | 0.633 | S | S | * | * | trans | -85.4 | 105.1 | -176 | 33.4 | -28.3 | 0 | 0 | 0 | 109.4 | ||||
| 82 | D | 43.1 | Very low | 59.2 | Low | 149 Ų | 149 | 107.1 Ų | 107.1 | 80% | 0.797 | 63% | 0.632 | S | S | * | * | trans | -134.5 | 89.9 | 157.3 | -92.9 | -46.7 | 0 | 0 | 0 | 106.9 | S80 | S80-D82 PolarHBondContact O-N 2.93Š| ||
| 83 | S | 37.6 | Very low | 60.2 | Low | 127 Ų | 127 | 104.3 Ų | 104.3 | 89% | 0.888 | 61% | 0.613 | S | S | * | * | S | Bend | trans | 41.5 | 87.5 | 153.6 | -48.7 | 0 | 0 | 0 | 0 | 116.9 | ||
| 84 | G | 46.1 | Very low | 61.4 | Low | 64 Ų | 64 | 101 Ų | 101 | 66% | 0.66 | 59% | 0.592 | S | S | * | * | trans | 124.6 | 71.4 | 161.5 | 0 | 0 | 0 | 0 | 0 | 116 | A86 | G84-A86 PolarHBondContact O-N 2.87Š| ||
| 85 | S | 47.8 | Very low | 62.8 | Low | 129 Ų | 129 | 103.5 Ų | 103.5 | 90% | 0.902 | 59% | 0.594 | S | S | * | * | trans | -69.2 | 61.5 | 165.7 | 163.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 86 | A | 57.3 | Low | 64.8 | Low | 15 Ų | 15 | 94.2 Ų | 94.2 | 12% | 0.124 | 56% | 0.561 | C | S | . | * | trans | -70.6 | 125.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 108 | G84 M88 N99 E101 | G84-A86 PolarHBondContact O-N 2.87Å; A86-M88 PolarHBondContact O-N 2.76Å; A86-N99 WeakPolarHBondContact CB-OD1 3.49Å; A86-E101 HydrophobicContact CB-CB 4.08Å; A86-E101 HydrophobicContact CB-CG 4.41Å; A86-E101 WeakPolarHBondContact CB-OE2 3.43Å | ||
| 87 | P | 75.4 | Confident | 66.7 | Low | 48 Ų | 48 | 96.1 Ų | 96.1 | 31% | 0.312 | 56% | 0.564 | S | S | . | * | trans | -64 | 111.6 | -177.4 | 22.2 | -28.9 | 0 | 0 | 0 | 109.2 | V100 M104 | P87-V100 HydrophobicContact CB-CB 4.49Å; P87-V100 HydrophobicContact CG-CB 4.25Å; P87-V100 WeakPolarHBondContact O-CA 3.24Å; P87-V100 WeakPolarHBondContact O-CB 3.12Å; P87-V100 VanDerWaalsContact O-CG2 3.24Å; P87-V100 WeakPolarHBondContact O-CG2 3.43Å; P87-V100 PolarHBondContact O-N 2.78Å; P87-M104 HydrophobicContact CB-CE 3.97Å; P87-M104 HydrophobicContact CB-SD 4.2Å; P87-M104 HydrophobicContact CG-CE 3.87Å; P87-M104 HydrophobicContact CG-CG 3.9Å; P87-M104 HydrophobicContact CG-SD 3.49Å; P87-M104 WeakPolarHBondContact CG-SD 3.45Å | ||
| 88 | M | 79.5 | Confident | 68.6 | Low | 130 Ų | 130 | 91.1 Ų | 91.1 | 64% | 0.64 | 53% | 0.531 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 136.4 | 179.6 | -69.3 | -169.1 | -81.1 | 0 | 0 | 111.3 | A86 I98 | A86-M88 PolarHBondContact O-N 2.76Å; M88-I98 WeakPolarHBondContact CA-O 2.98Å |
| 89 | I | 85.2 | Confident | 70.5 | Confident | 42 Ų | 42 | 87.9 Ų | 87.9 | 22% | 0.215 | 51% | 0.514 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 144.4 | 173.4 | -169.8 | 168.9 | 0 | 0 | 0 | 110.6 | I98 V100 V109 T118 P119 | I89-I98 HydrophobicContact CG2-CB 3.91Å; I89-I98 HydrophobicContact CG2-CD1 4.43Å; I89-I98 HydrophobicContact CG2-CG2 4.43Å; I89-I98 PolarHBondContact N-O 3.38Å; I89-I98 WeakPolarHBondContact O-CB 3.48Å; I89-I98 PolarHBondContact O-N 3.4Å; I89-V100 HydrophobicContact CB-CG2 4Å; I89-V100 HydrophobicContact CG2-CG2 3.37Å; I89-V109 HydrophobicContact CG2-CG1 4.25Å; I89-T118 HydrophobicContact CD1-CG2 4.09Å; I89-T118 HydrophobicContact CG1-CG2 4.45Å; I89-P119 WeakPolarHBondContact CD1-O 3.32Å |
| 90 | T | 89 | Confident | 72.3 | Confident | 82 Ų | 82 | 82.3 Ų | 82.3 | 50% | 0.503 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 134.7 | 176.8 | 52.2 | 0 | 0 | 0 | 0 | 111.7 | R92 L97 | T90-R92 PolarHBondContact O-N 2.98Å; T90-L97 HydrophobicContact CG2-CD2 3.86Å |
| 91 | C | 88 | Confident | 74 | Confident | 1 Ų | 1 | 83 Ų | 83 | 1% | 0.007 | 47% | 0.473 | C | S | . | . | trans | -68 | 123.6 | 173.2 | -174.6 | 0 | 0 | 0 | 0 | 110.4 | V93 Q95 S96 I98 C111 C114 | C91-V93 PolarHBondContact O-N 2.93Å; C91-V93 VanDerWaalsContact O-N 3.12Å; C91-Q95 WeakPolarHBondContact O-CA 3.19Å; C91-Q95 PolarHBondContact O-N 3.36Å; C91-S96 PolarHBondContact N-O 3.02Å; C91-I98 HydrophobicContact CB-CD1 3.98Å; C91-C111 HydrophobicContact CB-CB 4.07Å; C91-C111 VanDerWaalsContact SG-CB 3.55Å; C91-C114 PolarHBondContact SG-SG 2.99Å | ||
| 92 | R | 86.1 | Confident | 75.2 | Confident | 209 Ų | 209 | 79.9 Ų | 79.9 | 79% | 0.789 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -13.7 | 177.8 | -72.7 | -154.2 | -179.7 | -176 | 1 | 115.1 | T90 | T90-R92 PolarHBondContact O-N 2.98Š|
| 93 | V | 87.1 | Confident | 77 | Confident | 49 Ų | 49 | 77.5 Ų | 77.5 | 30% | 0.297 | 45% | 0.446 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | -52.2 | -177 | -176 | 0 | 0 | 0 | 0 | 111.3 | C91 E116 N135 | C91-V93 PolarHBondContact O-N 2.93Å; C91-V93 VanDerWaalsContact O-N 3.12Å; V93-E116 HydrophobicContact CB-CB 4.24Å; V93-E116 HydrophobicContact CB-CG 4.23Å; V93-E116 HydrophobicContact CG1-CG 4.14Å; V93-E116 HydrophobicContact CG2-CB 3.75Å; V93-E116 HydrophobicContact CG2-CG 3.91Å; V93-N135 HydrophobicContact CG2-CB 4.18Å |
| 94 | C | 88.8 | Confident | 78.8 | Confident | 48 Ų | 48 | 75.7 Ų | 75.7 | 32% | 0.324 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.8 | 3.3 | -177.4 | 63.7 | 0 | 0 | 0 | 0 | 114.4 | S96 C111 C114 | C94-S96 PolarHBondContact O-N 3Å; C94-S96 PolarHBondContact SG-OG 2.92Å; C94-C111 PolarHBondContact SG-SG 3.12Å; C94-C114 HydrophobicContact CB-CB 3.96Å; C94-C114 PolarHBondContact SG-SG 2.64Å |
| 95 | Q | 90.1 | Very high | 80.4 | Confident | 164 Ų | 164 | 79.1 Ų | 79.1 | 77% | 0.766 | 42% | 0.423 | S | S | * | . | trans | 61.8 | 4.7 | 178.4 | -56.4 | 177 | 21 | 0 | 0 | 116.1 | C91 | C91-Q95 WeakPolarHBondContact O-CA 3.19Å; C91-Q95 PolarHBondContact O-N 3.36Å | ||
| 96 | S | 88.4 | Confident | 82.2 | Confident | 26 Ų | 26 | 77 Ų | 77 | 18% | 0.182 | 40% | 0.399 | C | S | . | . | trans | -66.4 | 146.2 | 176.5 | 64.7 | 0 | 0 | 0 | 0 | 112.2 | C91 C94 C111 | C91-S96 PolarHBondContact N-O 3.02Å; C94-S96 PolarHBondContact O-N 3Å; C94-S96 PolarHBondContact SG-OG 2.92Å; S96-C111 PolarHBondContact OG-SG 3.05Å | ||
| 97 | L | 87.6 | Confident | 83.5 | Confident | 122 Ų | 122 | 80 Ų | 80 | 64% | 0.639 | 41% | 0.41 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 132.5 | 173.4 | -65.6 | 164.6 | 0 | 0 | 0 | 110.3 | T90 | T90-L97 HydrophobicContact CG2-CD2 3.86Å |
| 98 | I | 85.4 | Confident | 84 | Confident | 14 Ų | 14 | 79.3 Ų | 79.3 | 7% | 0.072 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 117.1 | 176.8 | -54.7 | 169.7 | 0 | 0 | 0 | 107.1 | M88 I89 C91 V100 V109 C111 | M88-I98 WeakPolarHBondContact CA-O 2.98Å; I89-I98 HydrophobicContact CG2-CB 3.91Å; I89-I98 HydrophobicContact CG2-CD1 4.43Å; I89-I98 HydrophobicContact CG2-CG2 4.43Å; I89-I98 PolarHBondContact N-O 3.38Å; I89-I98 WeakPolarHBondContact O-CB 3.48Å; I89-I98 PolarHBondContact O-N 3.4Å; C91-I98 HydrophobicContact CB-CD1 3.98Å; I98-V100 PolarHBondContact O-N 3.1Å; I98-V109 HydrophobicContact CD1-CG1 4.26Å; I98-V109 HydrophobicContact CG2-CG1 4.07Å; I98-V109 HydrophobicContact CG2-CG2 3.88Å; I98-C111 HydrophobicContact CD1-CB 3.81Å; I98-C111 HydrophobicContact CG1-CB 4.47Å |
| 99 | N | 84.5 | Confident | 84.5 | Confident | 77 Ų | 77 | 73.3 Ų | 73.3 | 41% | 0.412 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 121.8 | 169.5 | -172.1 | 5.5 | 0 | 0 | 0 | 109.5 | A86 E101 | A86-N99 WeakPolarHBondContact CB-OD1 3.49Å; N99-E101 PolarHBondContact ND2-OE2 3.4Å; N99-E101 VanDerWaalsContact ND2-OE2 3.14Å; N99-E101 VanDerWaalsContact OD1-CB 3.25Å; N99-E101 WeakPolarHBondContact OD1-CB 3.41Å; N99-E101 PolarHBondContact OD1-N 3.48Å |
| 100 | V | 82.1 | Confident | 84.7 | Confident | 3 Ų | 3 | 78.7 Ų | 78.7 | 2% | 0.018 | 40% | 0.397 | C | S | . | . | trans | -96.8 | 3 | -178.3 | -165 | 0 | 0 | 0 | 0 | 112.2 | P87 I89 I98 G102 K103 M104 I120 | P87-V100 HydrophobicContact CB-CB 4.49Å; P87-V100 HydrophobicContact CG-CB 4.25Å; P87-V100 WeakPolarHBondContact O-CA 3.24Å; P87-V100 WeakPolarHBondContact O-CB 3.12Å; P87-V100 VanDerWaalsContact O-CG2 3.24Å; P87-V100 WeakPolarHBondContact O-CG2 3.43Å; P87-V100 PolarHBondContact O-N 2.78Å; I89-V100 HydrophobicContact CB-CG2 4Å; I89-V100 HydrophobicContact CG2-CG2 3.37Å; I98-V100 PolarHBondContact O-N 3.1Å; V100-G102 PolarHBondContact O-N 3.47Å; V100-K103 HydrophobicContact CG1-CB 4.37Å; V100-K103 PolarHBondContact O-N 3.28Å; V100-M104 HydrophobicContact CG1-CG 4.25Å; V100-M104 PolarHBondContact O-N 2.92Å; V100-I120 HydrophobicContact CG1-CD1 3.48Å; V100-I120 VanDerWaalsContact CG1-CD1 3.48Å; V100-I120 HydrophobicContact CG1-CG1 3.93Å; V100-I120 HydrophobicContact CG1-CG2 3.77Å | ||
| 101 | E | 76.8 | Confident | 84.7 | Confident | 118 Ų | 118 | 74.8 Ų | 74.8 | 55% | 0.551 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | 127.2 | 174.6 | -163.8 | 164 | -153.5 | 0 | 0 | 111.4 | A86 N99 K103 | A86-E101 HydrophobicContact CB-CB 4.08Å; A86-E101 HydrophobicContact CB-CG 4.41Å; A86-E101 WeakPolarHBondContact CB-OE2 3.43Å; N99-E101 PolarHBondContact ND2-OE2 3.4Å; N99-E101 VanDerWaalsContact ND2-OE2 3.14Å; N99-E101 VanDerWaalsContact OD1-CB 3.25Å; N99-E101 WeakPolarHBondContact OD1-CB 3.41Å; N99-E101 PolarHBondContact OD1-N 3.48Å; E101-K103 PolarHBondContact O-N 3.28Å; E101-K103 VanDerWaalsContact O-N 3.15Å |
| 102 | G | 74.4 | Confident | 84.7 | Confident | 61 Ų | 61 | 78.1 Ų | 78.1 | 63% | 0.629 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.5 | -20.7 | -173 | 0 | 0 | 0 | 0 | 0 | 116.2 | V100 H105 | V100-G102 PolarHBondContact O-N 3.47Å; G102-H105 PolarHBondContact O-CE1 2.9Å; G102-H105 PolarHBondContact O-ND1 2.8Å |
| 103 | K | 79 | Confident | 84.9 | Confident | 99 Ų | 99 | 73.3 Ų | 73.3 | 43% | 0.43 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | 4.1 | 179.6 | -65.8 | 177.4 | -174.9 | 164.2 | 0 | 113.9 | V100 E101 H105 Q106 V109 | V100-K103 HydrophobicContact CG1-CB 4.37Å; V100-K103 PolarHBondContact O-N 3.28Å; E101-K103 PolarHBondContact O-N 3.28Å; E101-K103 VanDerWaalsContact O-N 3.15Å; K103-H105 PolarHBondContact O-N 3.33Å; K103-H105 VanDerWaalsContact O-N 3.1Å; K103-Q106 WeakPolarHBondContact O-CB 3.21Å; K103-Q106 PolarHBondContact O-N 3.5Å; K103-V109 HydrophobicContact CD-CG2 3.88Å |
| 104 | M | 76.1 | Confident | 85 | Confident | 89 Ų | 89 | 72.9 Ų | 72.9 | 44% | 0.438 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -22.3 | 177.8 | -65.5 | -136.8 | 86.4 | 0 | 0 | 114.4 | P87 V100 Q106 K121 | P87-M104 HydrophobicContact CB-CE 3.97Å; P87-M104 HydrophobicContact CB-SD 4.2Å; P87-M104 HydrophobicContact CG-CE 3.87Å; P87-M104 HydrophobicContact CG-CG 3.9Å; P87-M104 HydrophobicContact CG-SD 3.49Å; P87-M104 WeakPolarHBondContact CG-SD 3.45Å; V100-M104 HydrophobicContact CG1-CG 4.25Å; V100-M104 PolarHBondContact O-N 2.92Å; M104-Q106 PolarHBondContact O-N 3.29Å; M104-K121 WeakPolarHBondContact O-CE 3.18Å; M104-K121 PolarHBondContact O-NZ 2.97Å |
| 105 | H | 80 | Confident | 85 | Confident | 135 Ų | 135 | 76.2 Ų | 76.2 | 63% | 0.625 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -15.3 | 175.4 | 65.8 | -86.6 | 0 | 0 | 0 | 112.7 | G102 K103 | G102-H105 PolarHBondContact O-CE1 2.9Å; G102-H105 PolarHBondContact O-ND1 2.8Å; K103-H105 PolarHBondContact O-N 3.33Å; K103-H105 VanDerWaalsContact O-N 3.1Å |
| 106 | Q | 84.5 | Confident | 85 | Confident | 85 Ų | 85 | 69.5 Ų | 69.5 | 40% | 0.397 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -94.3 | 148.9 | -179.8 | -56.1 | -176.8 | 26.6 | 0 | 0 | 111.1 | K103 M104 | K103-Q106 WeakPolarHBondContact O-CB 3.21Å; K103-Q106 PolarHBondContact O-N 3.5Å; M104-Q106 PolarHBondContact O-N 3.29Å |
| 107 | H | 84.8 | Confident | 85.1 | Confident | 77 Ų | 77 | 69.3 Ų | 69.3 | 36% | 0.356 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -77.8 | -22.8 | 176.7 | -82.7 | -90.9 | 0 | 0 | 0 | 112.9 | I120 K121 N122 Y129 | H107-I120 PolarHBondContact O-N 3.41Å; H107-K121 PolarHBondContact O-N 2.98Å; H107-N122 PolarHBondContact CE1-O 3.33Å; H107-N122 PolarHBondContact ND1-O 3.46Å; H107-Y129 WeakPolarHBondContact CB-OH 3.39Å; H107-Y129 PolarHBondContact O-OH 3.27Å |
| 108 | V | 86.4 | Confident | 85.1 | Confident | 35 Ų | 35 | 63.6 Ų | 63.6 | 21% | 0.212 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 138.4 | -171.9 | 179.1 | 0 | 0 | 0 | 0 | 109.7 | A117 Y129 L137 I139 | V108-A117 HydrophobicContact CG1-CB 3.64Å; V108-Y129 HydrophobicContact CG2-CE1 3.62Å; V108-L137 HydrophobicContact CG1-CD2 3.79Å; V108-L137 HydrophobicContact CG2-CD2 4.09Å; V108-I139 HydrophobicContact CG2-CD1 4.49Å |
| 109 | V | 89.9 | Confident | 85.2 | Confident | 3 Ų | 3 | 64.6 Ų | 64.6 | 2% | 0.018 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 147 | 172 | 63.5 | 0 | 0 | 0 | 0 | 110.6 | I89 I98 K103 A117 T118 I120 | I89-V109 HydrophobicContact CG2-CG1 4.25Å; I98-V109 HydrophobicContact CD1-CG1 4.26Å; I98-V109 HydrophobicContact CG2-CG1 4.07Å; I98-V109 HydrophobicContact CG2-CG2 3.88Å; K103-V109 HydrophobicContact CD-CG2 3.88Å; V109-A117 CarbonylContact O-C 3.57Å; V109-A117 WeakPolarHBondContact O-CA 3.43Å; V109-T118 PolarHBondContact N-O 2.92Å; V109-T118 PolarHBondContact O-N 3.35Å; V109-I120 HydrophobicContact CB-CD1 3.6Å; V109-I120 HydrophobicContact CB-CG1 3.96Å; V109-I120 HydrophobicContact CG1-CD1 3.86Å; V109-I120 HydrophobicContact CG1-CG1 3.63Å |
| 110 | K | 90 | Very high | 85.2 | Confident | 155 Ų | 155 | 62.6 Ų | 62.6 | 67% | 0.674 | 35% | 0.35 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89 | 133.2 | 171 | -65.8 | -179.3 | -178.1 | 177.1 | 0 | 109.6 | ||
| 111 | C | 89.8 | Confident | 85.3 | Confident | 1 Ų | 1 | 67 Ų | 67 | 1% | 0.007 | 37% | 0.369 | C | S | . | . | trans | -67 | 131.1 | 172.9 | -178.3 | 0 | 0 | 0 | 0 | 110.6 | C91 C94 S96 I98 V113 N115 E116 | C91-C111 HydrophobicContact CB-CB 4.07Å; C91-C111 VanDerWaalsContact SG-CB 3.55Å; C94-C111 PolarHBondContact SG-SG 3.12Å; S96-C111 PolarHBondContact OG-SG 3.05Å; I98-C111 HydrophobicContact CD1-CB 3.81Å; I98-C111 HydrophobicContact CG1-CB 4.47Å; C111-V113 PolarHBondContact O-N 2.8Å; C111-V113 PolarHBondContact SG-N 3.14Å; C111-V113 VanDerWaalsContact SG-N 3.4Å; C111-N115 WeakPolarHBondContact O-CA 3.09Å; C111-N115 PolarHBondContact O-N 3.17Å; C111-E116 WeakPolarHBondContact CB-O 3.39Å; C111-E116 PolarHBondContact N-O 3.44Å | ||
| 112 | G | 88.1 | Confident | 85.7 | Confident | 71 Ų | 71 | 68.3 Ų | 68.3 | 73% | 0.732 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -19.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 113 | V | 90.1 | Very high | 86.2 | Confident | 108 Ų | 108 | 66.7 Ų | 66.7 | 66% | 0.655 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | -53.6 | -177.7 | -177.8 | 0 | 0 | 0 | 0 | 111.5 | C111 | C111-V113 PolarHBondContact O-N 2.8Å; C111-V113 PolarHBondContact SG-N 3.14Å; C111-V113 VanDerWaalsContact SG-N 3.4Å |
| 114 | C | 88.4 | Confident | 86.5 | Confident | 39 Ų | 39 | 63.6 Ų | 63.6 | 26% | 0.264 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.5 | -1.1 | -177.3 | 66.4 | 0 | 0 | 0 | 0 | 114.7 | C91 C94 E116 | C91-C114 PolarHBondContact SG-SG 2.99Å; C94-C114 HydrophobicContact CB-CB 3.96Å; C94-C114 PolarHBondContact SG-SG 2.64Å; C114-E116 HydrophobicContact CB-CG 4.5Å; C114-E116 PolarHBondContact O-N 3.37Å |
| 115 | N | 89.3 | Confident | 87 | Confident | 119 Ų | 119 | 65.6 Ų | 65.6 | 64% | 0.636 | 37% | 0.37 | S | S | * | . | trans | 58.2 | 10.5 | -175.7 | -67.4 | -53.9 | 0 | 0 | 0 | 115.6 | C111 | C111-N115 WeakPolarHBondContact O-CA 3.09Å; C111-N115 PolarHBondContact O-N 3.17Å | ||
| 116 | E | 90.5 | Very high | 87.3 | Confident | 22 Ų | 22 | 61.1 Ų | 61.1 | 10% | 0.103 | 36% | 0.361 | C | S | . | . | trans | -83.6 | 141.4 | 176.4 | -65.7 | -67.2 | 170.9 | 0 | 0 | 112.1 | V93 C111 C114 N135 R151 | V93-E116 HydrophobicContact CB-CB 4.24Å; V93-E116 HydrophobicContact CB-CG 4.23Å; V93-E116 HydrophobicContact CG1-CG 4.14Å; V93-E116 HydrophobicContact CG2-CB 3.75Å; V93-E116 HydrophobicContact CG2-CG 3.91Å; C111-E116 WeakPolarHBondContact CB-O 3.39Å; C111-E116 PolarHBondContact N-O 3.44Å; C114-E116 HydrophobicContact CB-CG 4.5Å; C114-E116 PolarHBondContact O-N 3.37Å; E116-N135 HydrophobicContact CG-CB 4.4Å; E116-R151 IonicContact OE1-CZ 3.51Å; E116-R151 IonicContact OE1-NH1 3.61Å; E116-R151 IonicContact OE1-NH2 2.64Å; E116-R151 PolarHBondContact OE1-NH2 3Å; E116-R151 IonicContact OE2-NH2 2.99Å; E116-R151 PolarHBondContact OE2-NH2 3.46Å | ||
| 117 | A | 90.1 | Very high | 87.5 | Confident | 22 Ų | 22 | 62.5 Ų | 62.5 | 18% | 0.182 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 134.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | V108 V109 R131 L137 | V108-A117 HydrophobicContact CG1-CB 3.64Å; V109-A117 CarbonylContact O-C 3.57Å; V109-A117 WeakPolarHBondContact O-CA 3.43Å; A117-R131 PolarHBondContact O-NH2 3.19Å; A117-L137 HydrophobicContact CB-CB 3.83Å; A117-L137 HydrophobicContact CB-CD2 3.89Å |
| 118 | T | 88 | Confident | 87.7 | Confident | 2 Ų | 2 | 60.7 Ų | 60.7 | 1% | 0.012 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 127.3 | 178.6 | -53.6 | 0 | 0 | 0 | 0 | 108.7 | I89 V109 I120 | I89-T118 HydrophobicContact CD1-CG2 4.09Å; I89-T118 HydrophobicContact CG1-CG2 4.45Å; V109-T118 PolarHBondContact N-O 2.92Å; V109-T118 PolarHBondContact O-N 3.35Å; T118-I120 PolarHBondContact O-N 2.9Å |
| 119 | P | 86.2 | Confident | 87.9 | Confident | 36 Ų | 36 | 61.5 Ų | 61.5 | 23% | 0.234 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 131.2 | 178.6 | 29.4 | -33.5 | 0 | 0 | 0 | 110.2 | I89 Y129 | I89-P119 WeakPolarHBondContact CD1-O 3.32Å; P119-Y129 HydrophobicContact CB-CD2 3.87Å; P119-Y129 HydrophobicContact CB-CE1 4.46Å; P119-Y129 HydrophobicContact CB-CE2 3.6Å; P119-Y129 HydrophobicContact CB-CG 4.39Å; P119-Y129 HydrophobicContact CG-CD2 4.47Å |
| 120 | I | 84.9 | Confident | 87.9 | Confident | 35 Ų | 35 | 62.1 Ų | 62.1 | 18% | 0.179 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -91.2 | -44.1 | 173.9 | -59.1 | 162.1 | 0 | 0 | 0 | 109.8 | V100 H107 V109 T118 | V100-I120 HydrophobicContact CG1-CD1 3.48Å; V100-I120 VanDerWaalsContact CG1-CD1 3.48Å; V100-I120 HydrophobicContact CG1-CG1 3.93Å; V100-I120 HydrophobicContact CG1-CG2 3.77Å; H107-I120 PolarHBondContact O-N 3.41Å; V109-I120 HydrophobicContact CB-CD1 3.6Å; V109-I120 HydrophobicContact CB-CG1 3.96Å; V109-I120 HydrophobicContact CG1-CD1 3.86Å; V109-I120 HydrophobicContact CG1-CG1 3.63Å; T118-I120 PolarHBondContact O-N 2.9Å |
| 121 | K | 83.9 | Confident | 88 | Confident | 94 Ų | 94 | 58.4 Ų | 58.4 | 41% | 0.409 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -118.1 | 160.4 | -178.2 | -67.1 | -178.4 | 174.3 | 175.3 | 0 | 110.2 | M104 H107 Y129 | M104-K121 WeakPolarHBondContact O-CE 3.18Å; M104-K121 PolarHBondContact O-NZ 2.97Å; H107-K121 PolarHBondContact O-N 2.98Å; K121-Y129 VanDerWaalsContact O-CE2 3.32Å; K121-Y129 WeakPolarHBondContact O-CE2 3.44Å; K121-Y129 PolarHBondContact O-OH 2.89Å |
| 122 | N | 84.6 | Confident | 88 | Confident | 146 Ų | 146 | 58.4 Ų | 58.4 | 78% | 0.781 | 34% | 0.342 | S | S | * | . | P | Polyproline II helix | trans | -51.7 | 150 | 169.4 | -66.7 | 28.5 | 0 | 0 | 0 | 110.2 | H107 | H107-N122 PolarHBondContact CE1-O 3.33Å; H107-N122 PolarHBondContact ND1-O 3.46Å |
| 123 | A | 85 | Confident | 88.1 | Confident | 27 Ų | 27 | 59 Ų | 59 | 22% | 0.223 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -59.2 | 146 | 178 | 0 | 0 | 0 | 0 | 0 | 109.7 | K127 Y129 | A123-K127 HydrophobicContact CB-CB 4.38Å; A123-K127 WeakPolarHBondContact CB-O 3.4Å; A123-Y129 HydrophobicContact CB-CD2 3.92Å; A123-Y129 HydrophobicContact CB-CE2 3.71Å; A123-Y129 HydrophobicContact CB-CG 4.46Å |
| 124 | P | 86.4 | Confident | 88.1 | Confident | 34 Ų | 34 | 55.4 Ų | 55.4 | 22% | 0.221 | 31% | 0.312 | C | S | . | . | P | Polyproline II helix | trans | -52.5 | 153.4 | 172.1 | -23.1 | 31.3 | 0 | 0 | 0 | 111.5 | G126 K127 | P124-G126 PolarHBondContact O-N 2.99Å; P124-K127 HydrophobicContact CB-CD 4.48Å; P124-K127 PolarHBondContact O-N 3.34Å |
| 125 | P | 85.9 | Confident | 88.2 | Confident | 131 Ų | 131 | 56.8 Ų | 56.8 | 85% | 0.851 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | 133.7 | -179.1 | 22.4 | -33.2 | 0 | 0 | 0 | 111.4 | K127 | P125-K127 VanDerWaalsContact C-N 3.32Å; P125-K127 PolarHBondContact O-N 3.29Å |
| 126 | G | 85.6 | Confident | 88.3 | Confident | 42 Ų | 42 | 52 Ų | 52 | 43% | 0.433 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.7 | -1.2 | -177 | 0 | 0 | 0 | 0 | 0 | 115.7 | P124 K141 V142 | P124-G126 PolarHBondContact O-N 2.99Å; G126-K141 WeakPolarHBondContact O-CA 3.22Å; G126-V142 PolarHBondContact O-N 3.44Å |
| 127 | K | 88.8 | Confident | 88.4 | Confident | 114 Ų | 114 | 52.3 Ų | 52.3 | 50% | 0.496 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 155.6 | 175.4 | -62.2 | -178.6 | -177.9 | 178.2 | 0 | 111.4 | A123 P124 P125 I139 C140 | A123-K127 HydrophobicContact CB-CB 4.38Å; A123-K127 WeakPolarHBondContact CB-O 3.4Å; P124-K127 HydrophobicContact CB-CD 4.48Å; P124-K127 PolarHBondContact O-N 3.34Å; P125-K127 VanDerWaalsContact C-N 3.32Å; P125-K127 PolarHBondContact O-N 3.29Å; K127-I139 HydrophobicContact CB-CG2 3.8Å; K127-I139 HydrophobicContact CD-CG2 3.7Å; K127-I139 HydrophobicContact CG-CG2 4.18Å; K127-C140 CarbonylContact C-O 3.49Å; K127-C140 VanDerWaalsContact CA-O 3.28Å; K127-C140 WeakPolarHBondContact CA-O 3.42Å |
| 128 | K | 89.6 | Confident | 88.4 | Confident | 38 Ų | 38 | 52.1 Ų | 52.1 | 17% | 0.165 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 147.9 | 172.2 | 63 | -176.9 | 178.3 | -162.4 | 0 | 110.2 | V130 C140 V142 S144 | K128-V130 HydrophobicContact CD-CG2 4.42Å; K128-V130 HydrophobicContact CG-CG2 4.21Å; K128-C140 PolarHBondContact N-O 3.33Å; K128-C140 PolarHBondContact O-N 2.69Å; K128-V142 HydrophobicContact CB-CG1 4.22Å; K128-V142 PolarHBondContact NZ-O 2.84Å; K128-S144 PolarHBondContact NZ-O 3.12Å |
| 129 | Y | 91.1 | Very high | 88.6 | Confident | 53 Ų | 53 | 56.2 Ų | 56.2 | 21% | 0.208 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 135.9 | 168.3 | -63.2 | -62.8 | 0 | 0 | 0 | 110.1 | H107 V108 P119 K121 A123 L137 L138 I139 | H107-Y129 WeakPolarHBondContact CB-OH 3.39Å; H107-Y129 PolarHBondContact O-OH 3.27Å; V108-Y129 HydrophobicContact CG2-CE1 3.62Å; P119-Y129 HydrophobicContact CB-CD2 3.87Å; P119-Y129 HydrophobicContact CB-CE1 4.46Å; P119-Y129 HydrophobicContact CB-CE2 3.6Å; P119-Y129 HydrophobicContact CB-CG 4.39Å; P119-Y129 HydrophobicContact CG-CD2 4.47Å; K121-Y129 VanDerWaalsContact O-CE2 3.32Å; K121-Y129 WeakPolarHBondContact O-CE2 3.44Å; K121-Y129 PolarHBondContact O-OH 2.89Å; A123-Y129 HydrophobicContact CB-CD2 3.92Å; A123-Y129 HydrophobicContact CB-CE2 3.71Å; A123-Y129 HydrophobicContact CB-CG 4.46Å; Y129-L137 HydrophobicContact CD1-CD1 4.25Å; Y129-L137 HydrophobicContact CD1-CD2 4.18Å; Y129-L137 HydrophobicContact CD1-CG 4.23Å; Y129-L137 HydrophobicContact CE1-CD2 4.48Å; Y129-L137 HydrophobicContact CG-CD1 4.38Å; Y129-L138 CarbonylContact C-O 3.59Å; Y129-L138 WeakPolarHBondContact CA-O 3.37Å; Y129-I139 HydrophobicContact CD1-CD1 4.5Å; Y129-I139 HydrophobicContact CD1-CG1 3.81Å; Y129-I139 HydrophobicContact CE1-CD1 3.91Å; Y129-I139 HydrophobicContact CE1-CG1 3.73Å |
| 130 | V | 90.6 | Very high | 88.7 | Confident | 16 Ų | 16 | 55.2 Ų | 55.2 | 10% | 0.097 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 126.4 | 171.8 | -179.5 | 0 | 0 | 0 | 0 | 107.6 | K128 L138 I147 L160 | K128-V130 HydrophobicContact CD-CG2 4.42Å; K128-V130 HydrophobicContact CG-CG2 4.21Å; V130-L138 PolarHBondContact N-O 2.76Å; V130-L138 PolarHBondContact O-N 2.84Å; V130-I147 HydrophobicContact CB-CD1 3.86Å; V130-I147 HydrophobicContact CG1-CD1 3.66Å; V130-I147 HydrophobicContact CG2-CD1 4.24Å; V130-L160 HydrophobicContact CB-CD2 4.38Å; V130-L160 HydrophobicContact CG1-CD2 3.87Å; V130-L160 HydrophobicContact CG2-CD1 3.98Å; V130-L160 HydrophobicContact CG2-CD2 3.57Å; V130-L160 HydrophobicContact CG2-CG 4.39Å |
| 131 | R | 90.3 | Very high | 88.9 | Confident | 76 Ų | 76 | 59.8 Ų | 59.8 | 29% | 0.287 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 120.3 | 173.5 | -170.5 | 168.7 | -70.5 | -86.7 | 2.2 | 108.8 | A117 N135 | A117-R131 PolarHBondContact O-NH2 3.19Å; R131-N135 PolarHBondContact NH1-O 2.8Å |
| 132 | C | 91.3 | Very high | 89 | Confident | 2 Ų | 2 | 58 Ų | 58 | 1% | 0.014 | 32% | 0.321 | C | S | . | . | trans | -67.7 | 149.9 | 170.8 | -174.9 | 0 | 0 | 0 | 0 | 109.6 | C134 N135 C136 L138 C149 C154 I158 | C132-C134 PolarHBondContact O-N 2.82Å; C132-C134 PolarHBondContact SG-SG 2.87Å; C132-N135 WeakPolarHBondContact O-CA 3.23Å; C132-N135 PolarHBondContact O-N 2.89Å; C132-C136 HydrophobicContact CB-CB 4.11Å; C132-C136 PolarHBondContact N-O 3.49Å; C132-L138 HydrophobicContact CB-CD1 3.64Å; C132-C149 HydrophobicContact CB-CB 4.44Å; C132-C154 VanDerWaalsContact SG-SG 3.67Å; C132-I158 HydrophobicContact CB-CD1 3.9Å | ||
| 133 | P | 90.1 | Very high | 89 | Confident | 84 Ų | 84 | 55.3 Ų | 55.3 | 55% | 0.545 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -13.9 | 173 | -27.3 | 36.3 | 0 | 0 | 0 | 115 | N135 | P133-N135 PolarHBondContact O-N 2.95Š|
| 134 | C | 90.4 | Very high | 88.9 | Confident | 31 Ų | 31 | 55.7 Ų | 55.7 | 21% | 0.209 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | 15.6 | 168.8 | 70.9 | 0 | 0 | 0 | 0 | 113.8 | C132 C136 C149 C154 | C132-C134 PolarHBondContact O-N 2.82Å; C132-C134 PolarHBondContact SG-SG 2.87Å; C134-C136 PolarHBondContact O-N 3.19Å; C134-C149 PolarHBondContact SG-SG 3.32Å; C134-C154 HydrophobicContact CB-CB 3.96Å; C134-C154 VanDerWaalsContact CB-SG 3.56Å |
| 135 | N | 90.1 | Very high | 88.9 | Confident | 69 Ų | 69 | 59.9 Ų | 59.9 | 37% | 0.369 | 33% | 0.327 | S | S | . | . | S | Bend | trans | 68 | -3.9 | -175 | -61.5 | -42.8 | 0 | 0 | 0 | 117 | V93 E116 R131 C132 P133 L137 | V93-N135 HydrophobicContact CG2-CB 4.18Å; E116-N135 HydrophobicContact CG-CB 4.4Å; R131-N135 PolarHBondContact NH1-O 2.8Å; C132-N135 WeakPolarHBondContact O-CA 3.23Å; C132-N135 PolarHBondContact O-N 2.89Å; P133-N135 PolarHBondContact O-N 2.95Å; N135-L137 PolarHBondContact O-N 2.99Å |
| 136 | C | 90.9 | Very high | 89 | Confident | 18 Ų | 18 | 62 Ų | 62 | 12% | 0.122 | 32% | 0.318 | C | S | . | . | trans | -61.2 | 127 | 174.6 | -170.9 | 0 | 0 | 0 | 0 | 111.8 | C132 C134 L138 R151 | C132-C136 HydrophobicContact CB-CB 4.11Å; C132-C136 PolarHBondContact N-O 3.49Å; C134-C136 PolarHBondContact O-N 3.19Å; C136-L138 HydrophobicContact CB-CD1 4.45Å; C136-L138 WeakPolarHBondContact O-CD1 3.48Å; C136-R151 HydrophobicContact CB-CG 4.4Å | ||
| 137 | L | 91.7 | Very high | 89.3 | Confident | 28 Ų | 28 | 60.8 Ų | 60.8 | 15% | 0.147 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 118.2 | 171.9 | -172.6 | 70.6 | 0 | 0 | 0 | 109.6 | V108 A117 Y129 N135 | V108-L137 HydrophobicContact CG1-CD2 3.79Å; V108-L137 HydrophobicContact CG2-CD2 4.09Å; A117-L137 HydrophobicContact CB-CB 3.83Å; A117-L137 HydrophobicContact CB-CD2 3.89Å; Y129-L137 HydrophobicContact CD1-CD1 4.25Å; Y129-L137 HydrophobicContact CD1-CD2 4.18Å; Y129-L137 HydrophobicContact CD1-CG 4.23Å; Y129-L137 HydrophobicContact CE1-CD2 4.48Å; Y129-L137 HydrophobicContact CG-CD1 4.38Å; N135-L137 PolarHBondContact O-N 2.99Å |
| 138 | L | 91.4 | Very high | 89.5 | Confident | 18 Ų | 18 | 58 Ų | 58 | 9% | 0.094 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 149.1 | 175.1 | -62.4 | 100.6 | 0 | 0 | 0 | 110.7 | Y129 V130 C132 C136 I147 A148 | Y129-L138 CarbonylContact C-O 3.59Å; Y129-L138 WeakPolarHBondContact CA-O 3.37Å; V130-L138 PolarHBondContact N-O 2.76Å; V130-L138 PolarHBondContact O-N 2.84Å; C132-L138 HydrophobicContact CB-CD1 3.64Å; C136-L138 HydrophobicContact CB-CD1 4.45Å; C136-L138 WeakPolarHBondContact O-CD1 3.48Å; L138-I147 HydrophobicContact CD2-CD1 4.39Å; L138-A148 WeakPolarHBondContact CD2-O 3.48Å |
| 139 | I | 90.8 | Very high | 89.7 | Confident | 89 Ų | 89 | 56.3 Ų | 56.3 | 46% | 0.456 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 119 | 170.2 | -53.2 | 176.7 | 0 | 0 | 0 | 106.6 | V108 K127 Y129 | V108-I139 HydrophobicContact CG2-CD1 4.49Å; K127-I139 HydrophobicContact CB-CG2 3.8Å; K127-I139 HydrophobicContact CD-CG2 3.7Å; K127-I139 HydrophobicContact CG-CG2 4.18Å; Y129-I139 HydrophobicContact CD1-CD1 4.5Å; Y129-I139 HydrophobicContact CD1-CG1 3.81Å; Y129-I139 HydrophobicContact CE1-CD1 3.91Å; Y129-I139 HydrophobicContact CE1-CG1 3.73Å |
| 140 | C | 89.8 | Confident | 89.8 | Confident | 14 Ų | 14 | 58.6 Ų | 58.6 | 10% | 0.095 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 157.5 | -176.9 | -55.3 | 0 | 0 | 0 | 0 | 109.8 | K127 K128 I147 | K127-C140 CarbonylContact C-O 3.49Å; K127-C140 VanDerWaalsContact CA-O 3.28Å; K127-C140 WeakPolarHBondContact CA-O 3.42Å; K128-C140 PolarHBondContact N-O 3.33Å; K128-C140 PolarHBondContact O-N 2.69Å; C140-I147 HydrophobicContact CB-CG2 3.87Å; C140-I147 WeakPolarHBondContact SG-CG2 3.41Å |
| 141 | K | 88.5 | Confident | 89.8 | Confident | 132 Ų | 132 | 62.3 Ų | 62.3 | 57% | 0.574 | 33% | 0.326 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 144.4 | 172.1 | -167.5 | 171.7 | 174.1 | 176.5 | 0 | 108.1 | G126 T143 S144 | G126-K141 WeakPolarHBondContact O-CA 3.22Å; K141-T143 VanDerWaalsContact CD-OG1 3.23Å; K141-T143 WeakPolarHBondContact CD-OG1 3.22Å; K141-T143 WeakPolarHBondContact CE-OG1 3.48Å; K141-T143 WeakPolarHBondContact CG-OG1 3.25Å; K141-T143 PolarHBondContact O-N 2.82Å; K141-T143 VanDerWaalsContact O-N 3.12Å; K141-S144 WeakPolarHBondContact CB-OG 3.28Å; K141-S144 PolarHBondContact N-OG 3.49Å; K141-S144 VanDerWaalsContact O-CB 3.25Å; K141-S144 WeakPolarHBondContact O-CB 3.35Å; K141-S144 PolarHBondContact O-N 3.02Å; K141-S144 PolarHBondContact O-OG 2.98Å |
| 142 | V | 85.5 | Confident | 89.9 | Confident | 57 Ų | 57 | 63 Ų | 63 | 35% | 0.345 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | -33.3 | 177.3 | -69.3 | 0 | 0 | 0 | 0 | 111.8 | G126 K128 S144 | G126-V142 PolarHBondContact O-N 3.44Å; K128-V142 HydrophobicContact CB-CG1 4.22Å; K128-V142 PolarHBondContact NZ-O 2.84Å; V142-S144 VanDerWaalsContact C-N 3.34Å; V142-S144 PolarHBondContact O-N 3.12Å |
| 143 | T | 84.6 | Confident | 90 | Very high | 89 Ų | 89 | 73.8 Ų | 73.8 | 55% | 0.546 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -6.4 | 176.7 | 68.7 | 0 | 0 | 0 | 0 | 114.7 | K141 Q145 | K141-T143 VanDerWaalsContact CD-OG1 3.23Å; K141-T143 WeakPolarHBondContact CD-OG1 3.22Å; K141-T143 WeakPolarHBondContact CE-OG1 3.48Å; K141-T143 WeakPolarHBondContact CG-OG1 3.25Å; K141-T143 PolarHBondContact O-N 2.82Å; K141-T143 VanDerWaalsContact O-N 3.12Å; T143-Q145 PolarHBondContact O-N 3.19Å |
| 144 | S | 84.7 | Confident | 90.1 | Very high | 34 Ų | 34 | 71.1 Ų | 71.1 | 24% | 0.238 | 37% | 0.366 | C | S | . | . | trans | -66.6 | 118 | 178.1 | -64.7 | 0 | 0 | 0 | 0 | 109.7 | K128 K141 V142 L160 | K128-S144 PolarHBondContact NZ-O 3.12Å; K141-S144 WeakPolarHBondContact CB-OG 3.28Å; K141-S144 PolarHBondContact N-OG 3.49Å; K141-S144 VanDerWaalsContact O-CB 3.25Å; K141-S144 WeakPolarHBondContact O-CB 3.35Å; K141-S144 PolarHBondContact O-N 3.02Å; K141-S144 PolarHBondContact O-OG 2.98Å; V142-S144 VanDerWaalsContact C-N 3.34Å; V142-S144 PolarHBondContact O-N 3.12Å; S144-L160 WeakPolarHBondContact O-CB 3.36Å; S144-L160 WeakPolarHBondContact O-CD1 3.44Å | ||
| 145 | Q | 86 | Confident | 90.1 | Very high | 122 Ų | 122 | 76.9 Ų | 76.9 | 57% | 0.57 | 39% | 0.387 | S | S | * | . | trans | -92.6 | -28.3 | 176.2 | -65.6 | 178.3 | -5.3 | 0 | 0 | 112.5 | T143 N159 L160 | T143-Q145 PolarHBondContact O-N 3.19Å; Q145-N159 CarbonylContact O-C 3.48Å; Q145-N159 WeakPolarHBondContact O-CA 3.08Å; Q145-L160 CarbonylContact C-O 3.52Å; Q145-L160 VanDerWaalsContact CA-O 3.23Å; Q145-L160 WeakPolarHBondContact CA-O 3.39Å; Q145-L160 CarbonylContact O-C 3.47Å; Q145-L160 PolarHBondContact O-N 3.22Å | ||
| 146 | R | 88.3 | Confident | 90.1 | Very high | 177 Ų | 177 | 79.8 Ų | 79.8 | 67% | 0.668 | 39% | 0.393 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 124.7 | -178.2 | -169 | 173.9 | -172 | -117.3 | -0.9 | 109.1 | I157 | R146-I157 HydrophobicContact CG-CG2 3.42Å; R146-I157 VanDerWaalsContact CG-CG2 3.42Å |
| 147 | I | 91.4 | Very high | 90.2 | Very high | 15 Ų | 15 | 82.3 Ų | 82.3 | 8% | 0.077 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 150.1 | -179.5 | 64.7 | 161.2 | 0 | 0 | 0 | 109.6 | V130 L138 C140 I157 I158 L160 | V130-I147 HydrophobicContact CB-CD1 3.86Å; V130-I147 HydrophobicContact CG1-CD1 3.66Å; V130-I147 HydrophobicContact CG2-CD1 4.24Å; L138-I147 HydrophobicContact CD2-CD1 4.39Å; C140-I147 HydrophobicContact CB-CG2 3.87Å; C140-I147 WeakPolarHBondContact SG-CG2 3.41Å; I147-I157 CarbonylContact O-C 3.56Å; I147-I157 WeakPolarHBondContact O-CA 3.23Å; I147-I158 HydrophobicContact CD1-CB 4.3Å; I147-I158 HydrophobicContact CD1-CD1 4.09Å; I147-I158 HydrophobicContact CG1-CB 3.81Å; I147-I158 HydrophobicContact CG1-CD1 4.36Å; I147-I158 PolarHBondContact N-O 2.84Å; I147-I158 PolarHBondContact O-N 3.25Å; I147-L160 HydrophobicContact CB-CD1 4.32Å; I147-L160 HydrophobicContact CD1-CD1 3.84Å; I147-L160 HydrophobicContact CG1-CD1 3.78Å; I147-L160 HydrophobicContact CG1-CG 4.44Å; I147-L160 HydrophobicContact CG2-CD1 3.61Å |
| 148 | A | 92 | Very high | 90 | Very high | 56 Ų | 56 | 82.5 Ų | 82.5 | 46% | 0.463 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 138.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | L138 I157 | L138-A148 WeakPolarHBondContact CD2-O 3.48Å; A148-I157 HydrophobicContact CB-CD1 3.52Å |
| 149 | C | 93.7 | Very high | 89.8 | Confident | 3 Ų | 3 | 87.5 Ų | 87.5 | 2% | 0.02 | 43% | 0.432 | C | S | . | . | trans | -71.1 | 125.7 | 173 | -176.2 | 0 | 0 | 0 | 0 | 111.1 | C132 C134 R151 C154 K155 R156 | C132-C149 HydrophobicContact CB-CB 4.44Å; C134-C149 PolarHBondContact SG-SG 3.32Å; C149-R151 PolarHBondContact O-N 2.71Å; C149-C154 HydrophobicContact CB-CB 4.2Å; C149-K155 WeakPolarHBondContact O-CA 3.48Å; C149-R156 PolarHBondContact N-O 3.25Å | ||
| 150 | P | 92.8 | Very high | 89.3 | Confident | 101 Ų | 101 | 84.7 Ų | 84.7 | 66% | 0.656 | 42% | 0.418 | S | S | * | . | trans | -73.2 | -12.9 | -178.1 | 29.9 | -36.6 | 0 | 0 | 0 | 113.8 | ||||
| 151 | R | 92.3 | Very high | 88.3 | Confident | 93 Ų | 93 | 86.5 Ų | 86.5 | 35% | 0.351 | 44% | 0.439 | S | S | . | . | trans | -60.4 | 130.1 | 178.8 | -71.8 | -169.2 | -179.1 | -146.7 | 1.5 | 110.9 | E116 C136 C149 Y153 C154 K155 | E116-R151 IonicContact OE1-CZ 3.51Å; E116-R151 IonicContact OE1-NH1 3.61Å; E116-R151 IonicContact OE1-NH2 2.64Å; E116-R151 PolarHBondContact OE1-NH2 3Å; E116-R151 IonicContact OE2-NH2 2.99Å; E116-R151 PolarHBondContact OE2-NH2 3.46Å; C136-R151 HydrophobicContact CB-CG 4.4Å; C149-R151 PolarHBondContact O-N 2.71Å; R151-Y153 PolarHBondContact O-N 2.76Å; R151-Y153 VanDerWaalsContact O-N 3.14Å; R151-C154 HydrophobicContact CB-CB 3.92Å; R151-C154 PolarHBondContact O-N 2.96Å; R151-K155 PolarHBondContact O-N 2.95Å; R151-K155 VanDerWaalsContact O-N 3.12Å | ||
| 152 | P | 92.2 | Very high | 87.2 | Confident | 91 Ų | 91 | 84.3 Ų | 84.3 | 59% | 0.591 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -32.5 | -176.6 | 22 | -32.7 | 0 | 0 | 0 | 112.8 | K155 | P152-K155 WeakPolarHBondContact O-CE 3.36Š|
| 153 | Y | 92 | Very high | 85.8 | Confident | 228 Ų | 228 | 86 Ų | 86 | 89% | 0.894 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | -12.9 | 180 | -52.9 | -71.7 | 0 | 0 | 0 | 115 | R151 | R151-Y153 PolarHBondContact O-N 2.76Å; R151-Y153 VanDerWaalsContact O-N 3.14Å |
| 154 | C | 92.5 | Very high | 84.5 | Confident | 29 Ų | 29 | 89.4 Ų | 89.4 | 20% | 0.196 | 46% | 0.457 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | -54.3 | -180 | -172.6 | 0 | 0 | 0 | 0 | 111.6 | C132 C134 C149 R151 R156 | C132-C154 VanDerWaalsContact SG-SG 3.67Å; C134-C154 HydrophobicContact CB-CB 3.96Å; C134-C154 VanDerWaalsContact CB-SG 3.56Å; C149-C154 HydrophobicContact CB-CB 4.2Å; R151-C154 HydrophobicContact CB-CB 3.92Å; R151-C154 PolarHBondContact O-N 2.96Å; C154-R156 PolarHBondContact O-N 3.14Å |
| 155 | K | 90.5 | Very high | 82.8 | Confident | 152 Ų | 152 | 93.8 Ų | 93.8 | 66% | 0.661 | 49% | 0.485 | S | S | * | . | trans | 39.4 | 20.8 | -177.8 | -64.7 | -173.4 | -179.6 | 179.8 | 0 | 116.1 | C149 R151 P152 I157 | C149-K155 WeakPolarHBondContact O-CA 3.48Å; R151-K155 PolarHBondContact O-N 2.95Å; R151-K155 VanDerWaalsContact O-N 3.12Å; P152-K155 WeakPolarHBondContact O-CE 3.36Å; K155-I157 PolarHBondContact O-N 3.25Å | ||
| 156 | R | 91.3 | Very high | 80.9 | Confident | 130 Ų | 130 | 90.3 Ų | 90.3 | 49% | 0.491 | 48% | 0.482 | S | S | . | . | trans | -74.2 | 132.2 | -170.9 | -173.3 | 180 | -59.8 | 179.7 | 5.5 | 109.3 | C149 C154 | C149-R156 PolarHBondContact N-O 3.25Å; C154-R156 PolarHBondContact O-N 3.14Å | ||
| 157 | I | 91.5 | Very high | 78.8 | Confident | 70 Ų | 70 | 87.9 Ų | 87.9 | 36% | 0.359 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 126.4 | 170.7 | -52.7 | -53.9 | 0 | 0 | 0 | 108.6 | R146 I147 A148 K155 | R146-I157 HydrophobicContact CG-CG2 3.42Å; R146-I157 VanDerWaalsContact CG-CG2 3.42Å; I147-I157 CarbonylContact O-C 3.56Å; I147-I157 WeakPolarHBondContact O-CA 3.23Å; A148-I157 HydrophobicContact CB-CD1 3.52Å; K155-I157 PolarHBondContact O-N 3.25Å |
| 158 | I | 87.3 | Confident | 76.5 | Confident | 32 Ų | 32 | 95.7 Ų | 95.7 | 16% | 0.164 | 53% | 0.53 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 119.9 | 176.4 | -52.7 | 163.6 | 0 | 0 | 0 | 107.4 | C132 I147 L160 | C132-I158 HydrophobicContact CB-CD1 3.9Å; I147-I158 HydrophobicContact CD1-CB 4.3Å; I147-I158 HydrophobicContact CD1-CD1 4.09Å; I147-I158 HydrophobicContact CG1-CB 3.81Å; I147-I158 HydrophobicContact CG1-CD1 4.36Å; I147-I158 PolarHBondContact N-O 2.84Å; I147-I158 PolarHBondContact O-N 3.25Å; I158-L160 PolarHBondContact O-N 2.64Å |
| 159 | N | 87.3 | Confident | 74.5 | Confident | 123 Ų | 123 | 97.6 Ų | 97.6 | 66% | 0.658 | 54% | 0.54 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 105.6 | 172.4 | -62.3 | -32.9 | 0 | 0 | 0 | 107.9 | Q145 | Q145-N159 CarbonylContact O-C 3.48Å; Q145-N159 WeakPolarHBondContact O-CA 3.08Å |
| 160 | L | 80.1 | Confident | 72.5 | Confident | 31 Ų | 31 | 103.2 Ų | 103.2 | 16% | 0.162 | 58% | 0.576 | C | S | . | * | trans | -81.3 | 111.5 | 168.1 | -63.9 | 152 | 0 | 0 | 0 | 105.2 | V130 S144 Q145 I147 I158 | V130-L160 HydrophobicContact CB-CD2 4.38Å; V130-L160 HydrophobicContact CG1-CD2 3.87Å; V130-L160 HydrophobicContact CG2-CD1 3.98Å; V130-L160 HydrophobicContact CG2-CD2 3.57Å; V130-L160 HydrophobicContact CG2-CG 4.39Å; S144-L160 WeakPolarHBondContact O-CB 3.36Å; S144-L160 WeakPolarHBondContact O-CD1 3.44Å; Q145-L160 CarbonylContact C-O 3.52Å; Q145-L160 VanDerWaalsContact CA-O 3.23Å; Q145-L160 WeakPolarHBondContact CA-O 3.39Å; Q145-L160 CarbonylContact O-C 3.47Å; Q145-L160 PolarHBondContact O-N 3.22Å; I147-L160 HydrophobicContact CB-CD1 4.32Å; I147-L160 HydrophobicContact CD1-CD1 3.84Å; I147-L160 HydrophobicContact CG1-CD1 3.78Å; I147-L160 HydrophobicContact CG1-CG 4.44Å; I147-L160 HydrophobicContact CG2-CD1 3.61Å; I158-L160 PolarHBondContact O-N 2.64Å | ||
| 161 | G | 70.1 | Confident | 70.4 | Confident | 51 Ų | 51 | 105.8 Ų | 105.8 | 53% | 0.526 | 58% | 0.58 | S | S | . | * | trans | -50.2 | 158.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | V163 | G161-V163 PolarHBondContact O-N 3.21Š| ||
| 162 | P | 64.8 | Low | 68.5 | Low | 87 Ų | 87 | 106.3 Ų | 106.3 | 57% | 0.565 | 60% | 0.595 | S | S | * | * | trans | -53.4 | 111.7 | 178.6 | -20.3 | 30.5 | 0 | 0 | 0 | 110.1 | H164 | P162-H164 VanDerWaalsContact C-N 3.26Å; P162-H164 PolarHBondContact O-N 3.15Å | ||
| 163 | V | 57 | Low | 66.7 | Low | 91 Ų | 91 | 109.3 Ų | 109.3 | 55% | 0.552 | 60% | 0.601 | S | S | * | * | trans | -76.4 | 86.8 | 172.5 | -175.7 | 0 | 0 | 0 | 0 | 106.1 | G161 P165 | G161-V163 PolarHBondContact O-N 3.21Å; V163-P165 VanDerWaalsContact O-CD 3.28Å; V163-P165 WeakPolarHBondContact O-CD 3.28Å | ||
| 164 | H | 56.3 | Low | 64.9 | Low | 161 Ų | 161 | 103 Ų | 103 | 75% | 0.745 | 59% | 0.588 | S | S | * | * | trans | -70.6 | 116.4 | 169.6 | -106.3 | -77.9 | 0 | 0 | 0 | 108.4 | P162 G166 | P162-H164 VanDerWaalsContact C-N 3.26Å; P162-H164 PolarHBondContact O-N 3.15Å; H164-G166 PolarHBondContact O-N 2.94Å | ||
| 165 | P | 49.9 | Very low | 63.2 | Low | 126 Ų | 126 | 108.6 Ų | 108.6 | 82% | 0.818 | 61% | 0.613 | S | S | * | * | trans | -81.5 | 97.9 | 170.4 | 28 | -19.5 | 0 | 0 | 0 | 107.9 | V163 | V163-P165 VanDerWaalsContact O-CD 3.28Å; V163-P165 WeakPolarHBondContact O-CD 3.28Å | ||
| 166 | G | 46.3 | Very low | 62.1 | Low | 49 Ų | 49 | 102.7 Ų | 102.7 | 51% | 0.505 | 60% | 0.596 | S | S | . | * | S | Bend | trans | 174.4 | 125.8 | 173 | 0 | 0 | 0 | 0 | 0 | 112.2 | H164 | H164-G166 PolarHBondContact O-N 2.94Š|
| 167 | P | 43.5 | Very low | 61.2 | Low | 126 Ų | 126 | 99.6 Ų | 99.6 | 82% | 0.818 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -68.1 | 136.4 | 160.8 | 31.5 | -27.7 | 0 | 0 | 0 | 106.3 | ||
| 168 | L | 44.1 | Very low | 60.7 | Low | 179 Ų | 179 | 103.3 Ų | 103.3 | 94% | 0.937 | 60% | 0.6 | S | S | * | * | S | Bend | trans | 97.7 | 59.4 | -172.2 | -50.6 | 156.2 | 0 | 0 | 0 | 115 | ||
| 169 | S | 49.1 | Very low | 60.2 | Low | 97 Ų | 97 | 101.8 Ų | 101.8 | 68% | 0.678 | 59% | 0.592 | S | S | * | * | trans | -159.6 | 124.3 | 145.6 | -144.6 | 0 | 0 | 0 | 0 | 110.1 | E171 | S169-E171 PolarHBondContact O-N 2.7Š| ||
| 170 | P | 52.3 | Low | 60 | Low | 120 Ų | 120 | 99 Ų | 99 | 78% | 0.779 | 58% | 0.577 | S | S | * | * | trans | -61.3 | 127.5 | 173.2 | -9.8 | 24.3 | 0 | 0 | 0 | 107.7 | ||||
| 171 | E | 48.6 | Very low | 60.1 | Low | 156 Ų | 156 | 97.5 Ų | 97.5 | 73% | 0.729 | 57% | 0.569 | S | S | * | * | trans | -20.6 | 128.3 | 159.6 | -178 | 81.7 | 130.4 | 0 | 0 | 110.8 | S169 Q173 | S169-E171 PolarHBondContact O-N 2.7Å; E171-Q173 PolarHBondContact O-N 2.71Å | ||
| 172 | P | 51.7 | Low | 60.5 | Low | 103 Ų | 103 | 95.7 Ų | 95.7 | 67% | 0.669 | 55% | 0.551 | S | S | * | * | trans | -65.2 | 87.5 | 170.1 | 27.8 | -30.5 | 0 | 0 | 0 | 106.6 | ||||
| 173 | Q | 54.3 | Low | 61.3 | Low | 154 Ų | 154 | 95 Ų | 95 | 72% | 0.72 | 54% | 0.54 | S | S | * | . | trans | -46.9 | 135.9 | 167.3 | -71.9 | -160.7 | 30.5 | 0 | 0 | 105.6 | E171 M175 | E171-Q173 PolarHBondContact O-N 2.71Å; Q173-M175 WeakPolarHBondContact O-CA 3.03Å; Q173-M175 PolarHBondContact O-N 3.12Å | ||
| 174 | P | 54.4 | Low | 62.7 | Low | 95 Ų | 95 | 92.6 Ų | 92.6 | 62% | 0.617 | 53% | 0.527 | S | S | * | . | trans | -47.5 | 108.3 | 179.1 | 18.8 | -30.8 | 0 | 0 | 0 | 107.2 | G176 | P174-G176 PolarHBondContact O-N 3.44Š| ||
| 175 | M | 57.6 | Low | 64 | Low | 148 Ų | 148 | 93.2 Ų | 93.2 | 73% | 0.729 | 53% | 0.527 | S | S | * | . | trans | -66.4 | 89.3 | -169.3 | -85.9 | -94.9 | -161.5 | 0 | 0 | 106.1 | Q173 | Q173-M175 WeakPolarHBondContact O-CA 3.03Å; Q173-M175 PolarHBondContact O-N 3.12Å | ||
| 176 | G | 66.7 | Low | 65.5 | Low | 28 Ų | 28 | 90.8 Ų | 90.8 | 29% | 0.289 | 51% | 0.507 | S | S | . | . | trans | -161.7 | 136.8 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | P174 W190 | P174-G176 PolarHBondContact O-N 3.44Å; G176-W190 CarbonylContact C-O 3.51Å; G176-W190 WeakPolarHBondContact CA-O 2.88Å | ||
| 177 | V | 72.8 | Confident | 67.2 | Low | 64 Ų | 64 | 92.1 Ų | 92.1 | 39% | 0.388 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 130.7 | -178.6 | -178.5 | 0 | 0 | 0 | 0 | 108 | V179 W190 P279 | V177-V179 HydrophobicContact CB-CG2 4.24Å; V177-V179 HydrophobicContact CG1-CG2 3.9Å; V177-V179 PolarHBondContact O-N 3.22Å; V177-W190 PolarHBondContact N-O 3.08Å; V177-W190 WeakPolarHBondContact O-CB 3.42Å; V177-W190 PolarHBondContact O-N 2.94Å; V177-P279 HydrophobicContact CG1-CB 3.77Å |
| 178 | R | 79.9 | Confident | 68.9 | Low | 148 Ų | 148 | 86.9 Ų | 86.9 | 56% | 0.558 | 47% | 0.47 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 119.9 | 167.3 | -71.1 | -175 | -175.4 | -177.5 | 2.9 | 108.3 | T187 V280 | R178-T187 HydrophobicContact CB-CG2 4.17Å; R178-V280 HydrophobicContact CB-CB 4.3Å; R178-V280 PolarHBondContact O-N 3.46Å |
| 179 | V | 77.4 | Confident | 70.6 | Confident | 0 Ų | 0 | 82.4 Ų | 82.4 | 0% | 0 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 133.6 | -177.4 | 176.4 | 0 | 0 | 0 | 0 | 109.2 | V177 T187 F188 I210 | V177-V179 HydrophobicContact CB-CG2 4.24Å; V177-V179 HydrophobicContact CG1-CG2 3.9Å; V177-V179 PolarHBondContact O-N 3.22Å; V179-T187 WeakPolarHBondContact O-CA 3.44Å; V179-F188 HydrophobicContact CB-CD1 4.46Å; V179-F188 HydrophobicContact CB-CE1 3.93Å; V179-F188 HydrophobicContact CB-CZ 4.07Å; V179-F188 HydrophobicContact CG1-CE1 3.76Å; V179-F188 HydrophobicContact CG1-CZ 3.94Å; V179-F188 PolarHBondContact N-O 2.95Å; V179-F188 WeakPolarHBondContact O-CD1 3.32Å; V179-F188 WeakPolarHBondContact O-CE1 3.47Å; V179-F188 PolarHBondContact O-N 2.78Å; V179-I210 HydrophobicContact CB-CD1 4.35Å; V179-I210 HydrophobicContact CG1-CD1 4.1Å; V179-I210 HydrophobicContact CG1-CG1 3.95Å; V179-I210 HydrophobicContact CG2-CD1 3.93Å; V179-I210 HydrophobicContact CG2-CG1 4.37Å; V179-I210 HydrophobicContact CG2-CG2 3.96Å |
| 180 | I | 82.7 | Confident | 71.6 | Confident | 64 Ų | 64 | 80.1 Ų | 80.1 | 33% | 0.328 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 120.4 | 171.1 | -68.4 | 163.5 | 0 | 0 | 0 | 108.1 | G182 S277 H278 V280 | I180-G182 PolarHBondContact O-N 3.09Å; I180-S277 WeakPolarHBondContact O-CA 3.26Å; I180-S277 WeakPolarHBondContact O-CB 3.31Å; I180-H278 PolarHBondContact N-O 2.98Å; I180-V280 HydrophobicContact CB-CG2 4.45Å; I180-V280 HydrophobicContact CD1-CG2 3.38Å; I180-V280 HydrophobicContact CG1-CG2 3.39Å |
| 181 | C | 83.2 | Confident | 72.4 | Confident | 1 Ų | 1 | 78.2 Ų | 78.2 | 1% | 0.007 | 41% | 0.409 | C | S | . | . | trans | -60.7 | 129.5 | 176 | 179.4 | 0 | 0 | 0 | 0 | 111 | H183 K185 N186 F188 C201 C204 | C181-H183 PolarHBondContact O-N 3.16Å; C181-H183 PolarHBondContact SG-N 2.76Å; C181-K185 VanDerWaalsContact O-CA 3.23Å; C181-K185 WeakPolarHBondContact O-CA 3.48Å; C181-K185 PolarHBondContact O-N 3.02Å; C181-N186 PolarHBondContact N-O 3.39Å; C181-F188 HydrophobicContact CB-CD1 4.31Å; C181-F188 HydrophobicContact CB-CE1 4.05Å; C181-C201 HydrophobicContact CB-CB 4.08Å; C181-C201 VanDerWaalsContact CB-SG 3.59Å; C181-C201 WeakPolarHBondContact SG-CB 3.35Å; C181-C204 VanDerWaalsContact SG-SG 3.67Å | ||
| 182 | G | 77.8 | Confident | 73.2 | Confident | 13 Ų | 13 | 77.3 Ų | 77.3 | 13% | 0.134 | 41% | 0.405 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -24.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | I180 K275 | I180-G182 PolarHBondContact O-N 3.09Å; G182-K275 WeakPolarHBondContact O-CD 3.48Å; G182-K275 WeakPolarHBondContact O-CE 3.5Å |
| 183 | H | 82.7 | Confident | 73.7 | Confident | 72 Ų | 72 | 79.3 Ų | 79.3 | 33% | 0.333 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | -49 | -174.3 | -61.8 | -73.1 | 0 | 0 | 0 | 114 | C181 K206 V207 S208 | C181-H183 PolarHBondContact O-N 3.16Å; C181-H183 PolarHBondContact SG-N 2.76Å; H183-K206 HydrophobicContact CB-CB 4.29Å; H183-K206 HydrophobicContact CB-CD 3.86Å; H183-K206 WeakPolarHBondContact CD2-CB 3Å; H183-V207 PolarHBondContact NE2-O 3.05Å; H183-S208 PolarHBondContact CD2-OG 3.06Å; H183-S208 PolarHBondContact NE2-OG 2.98Å |
| 184 | C | 85 | Confident | 73.8 | Confident | 41 Ų | 41 | 76.6 Ų | 76.6 | 28% | 0.277 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.7 | -2.1 | -175.9 | 66 | 0 | 0 | 0 | 0 | 113.9 | N186 C201 C204 | C184-N186 PolarHBondContact O-N 3.35Å; C184-C201 PolarHBondContact SG-SG 2.95Å; C184-C204 HydrophobicContact CB-CB 3.99Å |
| 185 | K | 83.4 | Confident | 73.6 | Confident | 174 Ų | 174 | 78.3 Ų | 78.3 | 76% | 0.757 | 40% | 0.401 | S | S | * | . | trans | 60 | 6.4 | -177.5 | -54.8 | 179.7 | -178.8 | 178 | 0 | 115.5 | C181 | C181-K185 VanDerWaalsContact O-CA 3.23Å; C181-K185 WeakPolarHBondContact O-CA 3.48Å; C181-K185 PolarHBondContact O-N 3.02Å | ||
| 186 | N | 83.1 | Confident | 73.4 | Confident | 75 Ų | 75 | 80.6 Ų | 80.6 | 40% | 0.401 | 40% | 0.402 | S | S | . | . | trans | -75.4 | 139.8 | 173.1 | -70.9 | -16.2 | 0 | 0 | 0 | 111.1 | C181 C184 H203 | C181-N186 PolarHBondContact N-O 3.39Å; C184-N186 PolarHBondContact O-N 3.35Å; N186-H203 HydrophobicContact CB-CB 4.36Å; N186-H203 WeakPolarHBondContact CB-CD2 3.38Å; N186-H203 VanDerWaalsContact ND2-CG 3.32Å | ||
| 187 | T | 81.9 | Confident | 73.3 | Confident | 77 Ų | 77 | 81.5 Ų | 81.5 | 47% | 0.472 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 128.5 | 174.8 | -54 | 0 | 0 | 0 | 0 | 109.5 | R178 V179 | R178-T187 HydrophobicContact CB-CG2 4.17Å; V179-T187 WeakPolarHBondContact O-CA 3.44Å |
| 188 | F | 79.2 | Confident | 73 | Confident | 16 Ų | 16 | 81.2 Ų | 81.2 | 7% | 0.07 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 153.8 | 174.3 | 67.4 | -73.7 | 0 | 0 | 0 | 110.2 | V179 C181 W190 A199 P202 I210 | V179-F188 HydrophobicContact CB-CD1 4.46Å; V179-F188 HydrophobicContact CB-CE1 3.93Å; V179-F188 HydrophobicContact CB-CZ 4.07Å; V179-F188 HydrophobicContact CG1-CE1 3.76Å; V179-F188 HydrophobicContact CG1-CZ 3.94Å; V179-F188 PolarHBondContact N-O 2.95Å; V179-F188 WeakPolarHBondContact O-CD1 3.32Å; V179-F188 WeakPolarHBondContact O-CE1 3.47Å; V179-F188 PolarHBondContact O-N 2.78Å; C181-F188 HydrophobicContact CB-CD1 4.31Å; C181-F188 HydrophobicContact CB-CE1 4.05Å; F188-W190 AromaticContact CE2-CE3 3.73Å; F188-W190 HydrophobicContact CE2-CE3 3.73Å; F188-W190 HydrophobicContact CE2-CZ3 4.3Å; F188-W190 HydrophobicContact CZ-CE3 4.42Å; F188-A199 HydrophobicContact CE2-CB 4.29Å; F188-A199 HydrophobicContact CZ-CB 3.99Å; F188-P202 HydrophobicContact CB-CG 3.81Å; F188-P202 HydrophobicContact CD2-CG 4.45Å; F188-P202 HydrophobicContact CG-CG 4.31Å; F188-I210 HydrophobicContact CZ-CD1 4.35Å |
| 189 | L | 78.3 | Confident | 72.7 | Confident | 85 Ų | 85 | 74.2 Ų | 74.2 | 45% | 0.445 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 117 | -179.5 | -157.8 | 147.4 | 0 | 0 | 0 | 108.3 | T191 | L189-T191 HydrophobicContact CD2-CG2 3.11Å; L189-T191 PolarHBondContact O-N 2.88Å |
| 190 | W | 71.3 | Confident | 72.7 | Confident | 49 Ų | 49 | 82.6 Ų | 82.6 | 19% | 0.186 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 92.1 | 178.5 | -177.9 | -78.4 | 0 | 0 | 0 | 109.2 | G176 V177 F188 E192 L198 A199 I210 | G176-W190 CarbonylContact C-O 3.51Å; G176-W190 WeakPolarHBondContact CA-O 2.88Å; V177-W190 PolarHBondContact N-O 3.08Å; V177-W190 WeakPolarHBondContact O-CB 3.42Å; V177-W190 PolarHBondContact O-N 2.94Å; F188-W190 AromaticContact CE2-CE3 3.73Å; F188-W190 HydrophobicContact CE2-CE3 3.73Å; F188-W190 HydrophobicContact CE2-CZ3 4.3Å; F188-W190 HydrophobicContact CZ-CE3 4.42Å; W190-E192 PolarHBondContact NE1-O 2.84Å; W190-E192 VanDerWaalsContact NE1-O 3.12Å; W190-L198 VanDerWaalsContact CH2-O 3.26Å; W190-L198 WeakPolarHBondContact CH2-O 3.35Å; W190-A199 HydrophobicContact CE3-CB 3.49Å; W190-A199 VanDerWaalsContact CE3-CB 3.49Å; W190-A199 HydrophobicContact CH2-CB 3.5Å; W190-A199 VanDerWaalsContact CH2-CB 3.5Å; W190-A199 HydrophobicContact CZ2-CB 4.5Å; W190-A199 HydrophobicContact CZ3-CB 2.93Å; W190-I210 HydrophobicContact CB-CD1 4.4Å; W190-I210 HydrophobicContact CD2-CD1 3.44Å; W190-I210 VanDerWaalsContact CD2-CD1 3.44Å; W190-I210 HydrophobicContact CE3-CD1 3.29Å; W190-I210 HydrophobicContact CG-CD1 3.99Å; W190-I210 HydrophobicContact CH2-CD1 4.35Å; W190-I210 HydrophobicContact CZ2-CD1 4.43Å; W190-I210 HydrophobicContact CZ3-CD1 3.86Å |
| 191 | T | 68.4 | Low | 72.6 | Confident | 80 Ų | 80 | 79.6 Ų | 79.6 | 49% | 0.491 | 39% | 0.388 | S | S | . | . | trans | -88.5 | -14.4 | 178.7 | 47.5 | 0 | 0 | 0 | 0 | 114.3 | L189 | L189-T191 HydrophobicContact CD2-CG2 3.11Å; L189-T191 PolarHBondContact O-N 2.88Å | ||
| 192 | E | 64.8 | Low | 72.6 | Confident | 136 Ų | 136 | 83.7 Ų | 83.7 | 64% | 0.636 | 42% | 0.415 | S | S | * | . | trans | -123.2 | 99.4 | -159.3 | -163 | 147.7 | -142.5 | 0 | 0 | 109.8 | W190 T194 | W190-E192 PolarHBondContact NE1-O 2.84Å; W190-E192 VanDerWaalsContact NE1-O 3.12Å; E192-T194 WeakPolarHBondContact CG-OG1 3.49Å; E192-T194 PolarHBondContact O-N 3.44Å | ||
| 193 | F | 62.2 | Low | 72.8 | Confident | 146 Ų | 146 | 88 Ų | 88 | 64% | 0.64 | 43% | 0.431 | S | S | * | . | trans | -73.5 | 29.4 | -178.8 | -65.7 | -86.4 | 0 | 0 | 0 | 113.4 | D195 | F193-D195 PolarHBondContact O-N 3.29Å; F193-D195 VanDerWaalsContact O-N 3.15Å | ||
| 194 | T | 57.5 | Low | 72.9 | Confident | 96 Ų | 96 | 86.5 Ų | 86.5 | 59% | 0.589 | 43% | 0.428 | S | S | * | . | trans | -68.5 | -22.3 | -154.5 | -68.5 | 0 | 0 | 0 | 0 | 115.9 | E192 | E192-T194 WeakPolarHBondContact CG-OG1 3.49Å; E192-T194 PolarHBondContact O-N 3.44Å | ||
| 195 | D | 50.4 | Low | 72.6 | Confident | 131 Ų | 131 | 93.6 Ų | 93.6 | 70% | 0.701 | 45% | 0.449 | S | S | * | . | S | Bend | trans | 178.3 | 114.5 | 161.3 | -102.9 | -40.3 | 0 | 0 | 0 | 113.2 | F193 | F193-D195 PolarHBondContact O-N 3.29Å; F193-D195 VanDerWaalsContact O-N 3.15Å |
| 196 | R | 53.7 | Low | 72.4 | Confident | 196 Ų | 196 | 91.1 Ų | 91.1 | 74% | 0.74 | 44% | 0.438 | S | S | * | . | S | Bend | trans | 71.3 | 73.2 | 158.8 | -48.3 | 171.5 | 173.9 | -178.5 | -2.6 | 118.4 | L198 | R196-L198 WeakPolarHBondContact O-CB 3.14Å; R196-L198 WeakPolarHBondContact O-CD1 3.48Å; R196-L198 WeakPolarHBondContact O-CG 3.13Å; R196-L198 PolarHBondContact O-N 3.16Å |
| 197 | T | 63.4 | Low | 71.9 | Confident | 48 Ų | 48 | 90.3 Ų | 90.3 | 29% | 0.294 | 44% | 0.436 | S | S | . | . | S | Bend | trans | 53.2 | 1.8 | 152.7 | 61.8 | 0 | 0 | 0 | 0 | 119.8 | S209 I210 Y214 | T197-S209 WeakPolarHBondContact O-CA 3.38Å; T197-I210 PolarHBondContact O-N 3.5Å; T197-Y214 HydrophobicContact CG2-CD1 3.29Å; T197-Y214 HydrophobicContact CG2-CE1 3.89Å; T197-Y214 HydrophobicContact CG2-CG 3.79Å |
| 198 | L | 67.8 | Low | 71.3 | Confident | 58 Ų | 58 | 86.7 Ų | 86.7 | 30% | 0.304 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 116.2 | -169.7 | -79 | 141.7 | 0 | 0 | 0 | 106.9 | W190 R196 V207 W271 M274 | W190-L198 VanDerWaalsContact CH2-O 3.26Å; W190-L198 WeakPolarHBondContact CH2-O 3.35Å; R196-L198 WeakPolarHBondContact O-CB 3.14Å; R196-L198 WeakPolarHBondContact O-CD1 3.48Å; R196-L198 WeakPolarHBondContact O-CG 3.13Å; R196-L198 PolarHBondContact O-N 3.16Å; L198-V207 HydrophobicContact CB-CG1 3.96Å; L198-V207 HydrophobicContact CD2-CG1 3.48Å; L198-V207 VanDerWaalsContact CD2-CG1 3.48Å; L198-V207 HydrophobicContact CG-CG1 4.36Å; L198-W271 HydrophobicContact CD1-CH2 4.12Å; L198-W271 HydrophobicContact CD1-CZ3 4.24Å; L198-W271 HydrophobicContact CD2-CH2 4.45Å; L198-W271 HydrophobicContact CD2-CZ3 4.09Å; L198-M274 HydrophobicContact CD2-SD 4.2Å |
| 199 | A | 72.5 | Confident | 70.8 | Confident | 0 Ų | 0 | 86.2 Ų | 86.2 | 0% | 0 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 123.8 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | F188 W190 V207 S208 I210 | F188-A199 HydrophobicContact CE2-CB 4.29Å; F188-A199 HydrophobicContact CZ-CB 3.99Å; W190-A199 HydrophobicContact CE3-CB 3.49Å; W190-A199 VanDerWaalsContact CE3-CB 3.49Å; W190-A199 HydrophobicContact CH2-CB 3.5Å; W190-A199 VanDerWaalsContact CH2-CB 3.5Å; W190-A199 HydrophobicContact CZ2-CB 4.5Å; W190-A199 HydrophobicContact CZ3-CB 2.93Å; A199-V207 CarbonylContact O-C 3.58Å; A199-V207 WeakPolarHBondContact O-CA 3.5Å; A199-S208 WeakPolarHBondContact CA-O 3.31Å; A199-S208 WeakPolarHBondContact CB-O 3.35Å; A199-S208 PolarHBondContact N-O 3.04Å; A199-S208 PolarHBondContact O-N 3.41Å; A199-I210 HydrophobicContact CB-CD1 3.19Å; A199-I210 HydrophobicContact CB-CG1 3.41Å; A199-I210 VanDerWaalsContact CB-CG1 3.41Å |
| 200 | R | 77.2 | Confident | 70.1 | Confident | 176 Ų | 176 | 83.7 Ų | 83.7 | 66% | 0.664 | 40% | 0.399 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 117.3 | 172.3 | -151.1 | 172.9 | -169.5 | -178.1 | 4.1 | 108.9 | R205 V207 | R200-R205 WeakPolarHBondContact CG-O 3.37Å; R200-R205 PolarHBondContact NE-O 2.62Å; R200-R205 VanDerWaalsContact NE-O 3.09Å; R200-V207 HydrophobicContact CG-CG2 4.45Å |
| 201 | C | 81.3 | Confident | 69.7 | Low | 2 Ų | 2 | 82.4 Ų | 82.4 | 1% | 0.014 | 40% | 0.401 | C | S | . | . | trans | -69.5 | 130.1 | 178 | 179.2 | 0 | 0 | 0 | 0 | 110.3 | C181 C184 H203 C204 R205 K206 | C181-C201 HydrophobicContact CB-CB 4.08Å; C181-C201 VanDerWaalsContact CB-SG 3.59Å; C181-C201 WeakPolarHBondContact SG-CB 3.35Å; C184-C201 PolarHBondContact SG-SG 2.95Å; C201-H203 PolarHBondContact O-N 3.01Å; C201-H203 PolarHBondContact SG-N 2.86Å; C201-H203 VanDerWaalsContact SG-N 3.44Å; C201-C204 VanDerWaalsContact CB-SG 3.52Å; C201-R205 WeakPolarHBondContact O-CA 3.49Å; C201-R205 PolarHBondContact O-N 3.48Å; C201-K206 PolarHBondContact N-O 3.47Å; C201-K206 VanDerWaalsContact N-O 3.08Å | ||
| 202 | P | 82.5 | Confident | 69 | Low | 86 Ų | 86 | 86 Ų | 86 | 56% | 0.558 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -23.3 | 177.9 | 25.6 | -33.5 | 0 | 0 | 0 | 113.1 | F188 | F188-P202 HydrophobicContact CB-CG 3.81Å; F188-P202 HydrophobicContact CD2-CG 4.45Å; F188-P202 HydrophobicContact CG-CG 4.31Å |
| 203 | H | 82.8 | Confident | 68.7 | Low | 105 Ų | 105 | 90 Ų | 90 | 49% | 0.486 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -46 | -177.4 | -56 | -76.7 | 0 | 0 | 0 | 113.2 | N186 C201 | N186-H203 HydrophobicContact CB-CB 4.36Å; N186-H203 WeakPolarHBondContact CB-CD2 3.38Å; N186-H203 VanDerWaalsContact ND2-CG 3.32Å; C201-H203 PolarHBondContact O-N 3.01Å; C201-H203 PolarHBondContact SG-N 2.86Å; C201-H203 VanDerWaalsContact SG-N 3.44Å |
| 204 | C | 84 | Confident | 68.4 | Low | 39 Ų | 39 | 88.9 Ų | 88.9 | 26% | 0.264 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.5 | -5 | -176.1 | 64.4 | 0 | 0 | 0 | 0 | 114.2 | C181 C184 C201 K206 | C181-C204 VanDerWaalsContact SG-SG 3.67Å; C184-C204 HydrophobicContact CB-CB 3.99Å; C201-C204 VanDerWaalsContact CB-SG 3.52Å; C204-K206 PolarHBondContact O-N 2.9Å |
| 205 | R | 80.1 | Confident | 68.7 | Low | 191 Ų | 191 | 85.1 Ų | 85.1 | 72% | 0.721 | 38% | 0.384 | S | S | * | . | trans | 56.7 | 5.2 | -177 | -58.3 | -177.1 | -178.9 | 175.5 | 0.1 | 115.6 | R200 C201 | R200-R205 WeakPolarHBondContact CG-O 3.37Å; R200-R205 PolarHBondContact NE-O 2.62Å; R200-R205 VanDerWaalsContact NE-O 3.09Å; C201-R205 WeakPolarHBondContact O-CA 3.49Å; C201-R205 PolarHBondContact O-N 3.48Å | ||
| 206 | K | 78.5 | Confident | 69.5 | Low | 121 Ų | 121 | 85.4 Ų | 85.4 | 53% | 0.526 | 38% | 0.375 | S | S | . | . | trans | -76.9 | 144.7 | 173.4 | -65.1 | -177.4 | -179.7 | 179.5 | 0 | 110.2 | H183 C201 C204 | H183-K206 HydrophobicContact CB-CB 4.29Å; H183-K206 HydrophobicContact CB-CD 3.86Å; H183-K206 WeakPolarHBondContact CD2-CB 3Å; C201-K206 PolarHBondContact N-O 3.47Å; C201-K206 VanDerWaalsContact N-O 3.08Å; C204-K206 PolarHBondContact O-N 2.9Å | ||
| 207 | V | 73.1 | Confident | 70.3 | Confident | 59 Ų | 59 | 83.8 Ų | 83.8 | 36% | 0.358 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 128.5 | 176.3 | -173.6 | 0 | 0 | 0 | 0 | 108.9 | H183 L198 A199 R200 | H183-V207 PolarHBondContact NE2-O 3.05Å; L198-V207 HydrophobicContact CB-CG1 3.96Å; L198-V207 HydrophobicContact CD2-CG1 3.48Å; L198-V207 VanDerWaalsContact CD2-CG1 3.48Å; L198-V207 HydrophobicContact CG-CG1 4.36Å; A199-V207 CarbonylContact O-C 3.58Å; A199-V207 WeakPolarHBondContact O-CA 3.5Å; R200-V207 HydrophobicContact CG-CG2 4.45Å |
| 208 | S | 69 | Low | 70.7 | Confident | 1 Ų | 1 | 89.3 Ų | 89.3 | 1% | 0.007 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 142.3 | 172.5 | -64.2 | 0 | 0 | 0 | 0 | 108.6 | H183 A199 S277 | H183-S208 PolarHBondContact CD2-OG 3.06Å; H183-S208 PolarHBondContact NE2-OG 2.98Å; A199-S208 WeakPolarHBondContact CA-O 3.31Å; A199-S208 WeakPolarHBondContact CB-O 3.35Å; A199-S208 PolarHBondContact N-O 3.04Å; A199-S208 PolarHBondContact O-N 3.41Å; S208-S277 WeakPolarHBondContact CB-OG 3.19Å |
| 209 | S | 67.4 | Low | 71 | Confident | 5 Ų | 5 | 87.2 Ų | 87.2 | 4% | 0.035 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 128.6 | 171.6 | 54.9 | 0 | 0 | 0 | 0 | 109.7 | T197 S277 | T197-S209 WeakPolarHBondContact O-CA 3.38Å; S209-S277 PolarHBondContact O-N 3.34Å; S209-S277 PolarHBondContact O-OG 3.31Å |
| 210 | I | 64.5 | Low | 71.2 | Confident | 32 Ų | 32 | 91.6 Ų | 91.6 | 16% | 0.164 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 122 | 174.4 | -60.1 | 177.3 | 0 | 0 | 0 | 107.9 | V179 F188 W190 T197 A199 S277 | V179-I210 HydrophobicContact CB-CD1 4.35Å; V179-I210 HydrophobicContact CG1-CD1 4.1Å; V179-I210 HydrophobicContact CG1-CG1 3.95Å; V179-I210 HydrophobicContact CG2-CD1 3.93Å; V179-I210 HydrophobicContact CG2-CG1 4.37Å; V179-I210 HydrophobicContact CG2-CG2 3.96Å; F188-I210 HydrophobicContact CZ-CD1 4.35Å; W190-I210 HydrophobicContact CB-CD1 4.4Å; W190-I210 HydrophobicContact CD2-CD1 3.44Å; W190-I210 VanDerWaalsContact CD2-CD1 3.44Å; W190-I210 HydrophobicContact CE3-CD1 3.29Å; W190-I210 HydrophobicContact CG-CD1 3.99Å; W190-I210 HydrophobicContact CH2-CD1 4.35Å; W190-I210 HydrophobicContact CZ2-CD1 4.43Å; W190-I210 HydrophobicContact CZ3-CD1 3.86Å; T197-I210 PolarHBondContact O-N 3.5Å; A199-I210 HydrophobicContact CB-CD1 3.19Å; A199-I210 HydrophobicContact CB-CG1 3.41Å; A199-I210 VanDerWaalsContact CB-CG1 3.41Å; I210-S277 WeakPolarHBondContact CG1-OG 3.42Å |
| 211 | G | 62.2 | Low | 71.4 | Confident | 22 Ų | 22 | 87.2 Ų | 87.2 | 23% | 0.227 | 40% | 0.397 | C | S | . | . | trans | 104.8 | 126.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | R213 P215 | G211-R213 PolarHBondContact O-N 3Å; G211-P215 WeakPolarHBondContact O-CD 3.32Å | ||
| 212 | R | 54.6 | Low | 71.5 | Confident | 156 Ų | 156 | 89.7 Ų | 89.7 | 59% | 0.589 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -71.5 | -14.1 | -174.3 | -145.2 | 173.3 | -153.9 | -141.7 | 4.6 | 114.1 | ||
| 213 | R | 57.5 | Low | 71.6 | Confident | 221 Ų | 221 | 89.8 Ų | 89.8 | 83% | 0.834 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -110.7 | -22.4 | -164.3 | -67.8 | -169.1 | 177.1 | -169.5 | 0.5 | 115.4 | G211 | G211-R213 PolarHBondContact O-N 3Š|
| 214 | Y | 57.6 | Low | 71.8 | Confident | 121 Ų | 121 | 89.5 Ų | 89.5 | 48% | 0.475 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -88.2 | -47.3 | -171.6 | -161.7 | -99.2 | 0 | 0 | 0 | 115 | T197 R218 | T197-Y214 HydrophobicContact CG2-CD1 3.29Å; T197-Y214 HydrophobicContact CG2-CE1 3.89Å; T197-Y214 HydrophobicContact CG2-CG 3.79Å; Y214-R218 PolarHBondContact OH-NH2 3.18Å; Y214-R218 VanDerWaalsContact OH-NH2 3.16Å |
| 215 | P | 63.6 | Low | 72 | Confident | 17 Ų | 17 | 91.9 Ų | 91.9 | 11% | 0.11 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -76 | -27 | -177.7 | 28.9 | -34.2 | 0 | 0 | 0 | 113 | G211 C219 | G211-P215 WeakPolarHBondContact O-CD 3.32Å; P215-C219 WeakPolarHBondContact O-CB 3.16Å; P215-C219 PolarHBondContact O-N 3.45Å |
| 216 | R | 67 | Low | 72.4 | Confident | 137 Ų | 137 | 82.8 Ų | 82.8 | 52% | 0.517 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -64.9 | -43.4 | -175.8 | -83.4 | -174.6 | 169.5 | -171.6 | -5.2 | 113.5 | C219 I220 | R216-C219 PolarHBondContact O-N 3.24Å; R216-I220 HydrophobicContact CB-CD1 4.4Å; R216-I220 WeakPolarHBondContact O-CB 3.23Å; R216-I220 WeakPolarHBondContact O-CD1 3.32Å; R216-I220 WeakPolarHBondContact O-CG1 3.46Å; R216-I220 PolarHBondContact O-N 2.84Å |
| 217 | K | 69.2 | Low | 72.9 | Confident | 162 Ų | 162 | 81.1 Ų | 81.1 | 70% | 0.704 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -62.1 | -48.3 | -178.4 | -74.4 | -172.2 | 176.3 | -171.3 | 0 | 111.6 | I220 C221 | K217-I220 PolarHBondContact O-N 3.15Å; K217-C221 PolarHBondContact O-N 2.98Å; K217-C221 PolarHBondContact O-SG 3.22Å |
| 218 | R | 72.1 | Confident | 73.9 | Confident | 164 Ų | 164 | 83.4 Ų | 83.4 | 62% | 0.619 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -66.2 | -39.8 | 178.6 | -66.7 | -174.9 | 178.8 | 179.7 | -0.8 | 112.1 | Y214 C221 C222 | Y214-R218 PolarHBondContact OH-NH2 3.18Å; Y214-R218 VanDerWaalsContact OH-NH2 3.16Å; R218-C221 PolarHBondContact O-N 3.23Å; R218-C222 PolarHBondContact O-N 3.21Å; R218-C222 PolarHBondContact O-SG 3.29Å; R218-C222 VanDerWaalsContact O-SG 3.35Å |
| 219 | C | 73.4 | Confident | 74.9 | Confident | 15 Ų | 15 | 85 Ų | 85 | 10% | 0.101 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -62.3 | -44.6 | 175.1 | -177.2 | 0 | 0 | 0 | 0 | 112.4 | P215 R216 C222 F223 A268 W271 | P215-C219 WeakPolarHBondContact O-CB 3.16Å; P215-C219 PolarHBondContact O-N 3.45Å; R216-C219 PolarHBondContact O-N 3.24Å; C219-C222 PolarHBondContact O-N 3.34Å; C219-F223 WeakPolarHBondContact O-CB 3.49Å; C219-F223 PolarHBondContact O-N 2.93Å; C219-A268 PolarHBondContact SG-O 3.48Å; C219-W271 HydrophobicContact CB-CB 3.98Å |
| 220 | I | 77.6 | Confident | 76 | Confident | 92 Ų | 92 | 86.1 Ų | 86.1 | 47% | 0.472 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -64.2 | -44.8 | 177.5 | -69.3 | 163.2 | 0 | 0 | 0 | 109.8 | R216 K217 C222 F223 L224 | R216-I220 HydrophobicContact CB-CD1 4.4Å; R216-I220 WeakPolarHBondContact O-CB 3.23Å; R216-I220 WeakPolarHBondContact O-CD1 3.32Å; R216-I220 WeakPolarHBondContact O-CG1 3.46Å; R216-I220 PolarHBondContact O-N 2.84Å; K217-I220 PolarHBondContact O-N 3.15Å; I220-C222 PolarHBondContact O-N 3.2Å; I220-F223 WeakPolarHBondContact O-CB 3.41Å; I220-F223 PolarHBondContact O-N 3.35Å; I220-L224 HydrophobicContact CG2-CD1 3.84Å; I220-L224 HydrophobicContact CG2-CG 4.16Å; I220-L224 WeakPolarHBondContact O-CB 3.39Å; I220-L224 VanDerWaalsContact O-CG 3.28Å; I220-L224 WeakPolarHBondContact O-CG 2.77Å; I220-L224 PolarHBondContact O-N 3.43Å |
| 221 | C | 81.9 | Confident | 77.3 | Confident | 83 Ų | 83 | 89 Ų | 89 | 56% | 0.561 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -57.9 | -46.5 | 175.2 | -68.4 | 0 | 0 | 0 | 0 | 112 | K217 R218 F223 L224 L225 | K217-C221 PolarHBondContact O-N 2.98Å; K217-C221 PolarHBondContact O-SG 3.22Å; R218-C221 PolarHBondContact O-N 3.23Å; C221-F223 VanDerWaalsContact C-N 3.33Å; C221-F223 PolarHBondContact O-N 3.36Å; C221-L224 PolarHBondContact O-N 2.89Å; C221-L225 WeakPolarHBondContact O-CB 3.36Å; C221-L225 PolarHBondContact O-N 3.37Å |
| 222 | C | 83.3 | Confident | 78.7 | Confident | 55 Ų | 55 | 90.8 Ų | 90.8 | 37% | 0.372 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -64 | -37.8 | 176.6 | -69.1 | 0 | 0 | 0 | 0 | 112.6 | R218 C219 I220 G226 A268 | R218-C222 PolarHBondContact O-N 3.21Å; R218-C222 PolarHBondContact O-SG 3.29Å; R218-C222 VanDerWaalsContact O-SG 3.35Å; C219-C222 PolarHBondContact O-N 3.34Å; I220-C222 PolarHBondContact O-N 3.2Å; C222-G226 PolarHBondContact O-N 2.97Å; C222-A268 HydrophobicContact CB-CB 4.34Å |
| 223 | F | 84.1 | Confident | 80.3 | Confident | 87 Ų | 87 | 83.7 Ų | 83.7 | 38% | 0.382 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -64.7 | -47.4 | 176 | -179.1 | -100.8 | 0 | 0 | 0 | 111.5 | C219 I220 C221 L225 G226 L227 L265 A268 | C219-F223 WeakPolarHBondContact O-CB 3.49Å; C219-F223 PolarHBondContact O-N 2.93Å; I220-F223 WeakPolarHBondContact O-CB 3.41Å; I220-F223 PolarHBondContact O-N 3.35Å; C221-F223 VanDerWaalsContact C-N 3.33Å; C221-F223 PolarHBondContact O-N 3.36Å; F223-L225 VanDerWaalsContact C-N 3.33Å; F223-L225 PolarHBondContact O-N 2.85Å; F223-G226 PolarHBondContact O-N 3.36Å; F223-L227 WeakPolarHBondContact O-CB 3.09Å; F223-L227 PolarHBondContact O-N 2.97Å; F223-L265 HydrophobicContact CD2-CD2 3.88Å; F223-L265 HydrophobicContact CE2-CD2 3.97Å; F223-A268 HydrophobicContact CB-CB 3.89Å; F223-A268 HydrophobicContact CD2-CB 4.34Å |
| 224 | L | 87.3 | Confident | 81.9 | Confident | 99 Ų | 99 | 76.9 Ų | 76.9 | 52% | 0.518 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -62.5 | -40.7 | 177.4 | -68.9 | 175.6 | 0 | 0 | 0 | 111.5 | I220 C221 L227 L228 | I220-L224 HydrophobicContact CG2-CD1 3.84Å; I220-L224 HydrophobicContact CG2-CG 4.16Å; I220-L224 WeakPolarHBondContact O-CB 3.39Å; I220-L224 VanDerWaalsContact O-CG 3.28Å; I220-L224 WeakPolarHBondContact O-CG 2.77Å; I220-L224 PolarHBondContact O-N 3.43Å; C221-L224 PolarHBondContact O-N 2.89Å; L224-L227 PolarHBondContact O-N 3.41Å; L224-L228 WeakPolarHBondContact O-CB 3.2Å; L224-L228 PolarHBondContact O-N 2.92Å |
| 225 | L | 88.2 | Confident | 83.4 | Confident | 90 Ų | 90 | 73.1 Ų | 73.1 | 47% | 0.471 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64.5 | -44.2 | 174.5 | -177 | 62.9 | 0 | 0 | 0 | 111.4 | C221 F223 L227 L228 L229 | C221-L225 WeakPolarHBondContact O-CB 3.36Å; C221-L225 PolarHBondContact O-N 3.37Å; F223-L225 VanDerWaalsContact C-N 3.33Å; F223-L225 PolarHBondContact O-N 2.85Å; L225-L227 VanDerWaalsContact C-N 3.34Å; L225-L227 PolarHBondContact O-N 3.38Å; L225-L228 PolarHBondContact O-N 3.01Å; L225-L229 HydrophobicContact CG-CD1 4.33Å; L225-L229 WeakPolarHBondContact O-CB 3.47Å; L225-L229 VanDerWaalsContact O-CG 3.29Å; L225-L229 WeakPolarHBondContact O-CG 3.32Å; L225-L229 PolarHBondContact O-N 2.94Å |
| 226 | G | 88.2 | Confident | 84.7 | Confident | 0 Ų | 0 | 76.3 Ų | 76.3 | 0% | 0 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -61.7 | -40.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | C222 F223 L229 A230 | C222-G226 PolarHBondContact O-N 2.97Å; F223-G226 PolarHBondContact O-N 3.36Å; G226-L229 PolarHBondContact O-N 2.9Å; G226-A230 WeakPolarHBondContact O-CB 3.13Å; G226-A230 PolarHBondContact O-N 3.43Å |
| 227 | L | 89.4 | Confident | 85.7 | Confident | 86 Ų | 86 | 70.9 Ų | 70.9 | 45% | 0.45 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64.9 | -46 | 174.9 | -174.8 | 72.8 | 0 | 0 | 0 | 111.3 | F223 L224 L225 L229 A230 V231 | F223-L227 WeakPolarHBondContact O-CB 3.09Å; F223-L227 PolarHBondContact O-N 2.97Å; L224-L227 PolarHBondContact O-N 3.41Å; L225-L227 VanDerWaalsContact C-N 3.34Å; L225-L227 PolarHBondContact O-N 3.38Å; L227-L229 VanDerWaalsContact C-N 3.32Å; L227-L229 PolarHBondContact O-N 3.46Å; L227-A230 PolarHBondContact O-N 3.41Å; L227-V231 WeakPolarHBondContact O-CG2 3.33Å; L227-V231 PolarHBondContact O-N 3.41Å |
| 228 | L | 93 | Very high | 86.7 | Confident | 107 Ų | 107 | 70.7 Ų | 70.7 | 56% | 0.56 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -59.1 | -46.2 | 176.1 | -174.9 | 70.7 | 0 | 0 | 0 | 110.6 | L224 L225 A230 V231 T232 | L224-L228 WeakPolarHBondContact O-CB 3.2Å; L224-L228 PolarHBondContact O-N 2.92Å; L225-L228 PolarHBondContact O-N 3.01Å; L228-A230 VanDerWaalsContact C-N 3.34Å; L228-A230 PolarHBondContact O-N 3.3Å; L228-V231 PolarHBondContact O-N 3.48Å; L228-T232 VanDerWaalsContact O-CG2 3.3Å; L228-T232 WeakPolarHBondContact O-CG2 3.37Å; L228-T232 PolarHBondContact O-N 3.46Å; L228-T232 PolarHBondContact O-OG1 3.21Å |
| 229 | L | 90.7 | Very high | 87.5 | Confident | 33 Ų | 33 | 65.9 Ų | 65.9 | 17% | 0.173 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -60.9 | -42 | 176.1 | -71.7 | 172.9 | 0 | 0 | 0 | 111.9 | L225 G226 L227 T232 A233 V257 L260 A261 | L225-L229 HydrophobicContact CG-CD1 4.33Å; L225-L229 WeakPolarHBondContact O-CB 3.47Å; L225-L229 VanDerWaalsContact O-CG 3.29Å; L225-L229 WeakPolarHBondContact O-CG 3.32Å; L225-L229 PolarHBondContact O-N 2.94Å; G226-L229 PolarHBondContact O-N 2.9Å; L227-L229 VanDerWaalsContact C-N 3.32Å; L227-L229 PolarHBondContact O-N 3.46Å; L229-T232 VanDerWaalsContact CA-OG1 3.32Å; L229-T232 WeakPolarHBondContact CA-OG1 3.34Å; L229-T232 PolarHBondContact O-N 2.86Å; L229-T232 PolarHBondContact O-OG1 3.41Å; L229-A233 VanDerWaalsContact O-CB 3.3Å; L229-A233 WeakPolarHBondContact O-CB 3.47Å; L229-A233 PolarHBondContact O-N 3.04Å; L229-V257 HydrophobicContact CD2-CG1 4.49Å; L229-L260 HydrophobicContact CD1-CD2 3.81Å; L229-L260 HydrophobicContact CD1-CG 3.83Å; L229-A261 HydrophobicContact CB-CB 3.93Å |
| 230 | A | 91.1 | Very high | 88.4 | Confident | 30 Ų | 30 | 66.9 Ų | 66.9 | 25% | 0.248 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -64.2 | -41.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | G226 L227 L228 A233 T234 A261 | G226-A230 WeakPolarHBondContact O-CB 3.13Å; G226-A230 PolarHBondContact O-N 3.43Å; L227-A230 PolarHBondContact O-N 3.41Å; L228-A230 VanDerWaalsContact C-N 3.34Å; L228-A230 PolarHBondContact O-N 3.3Å; A230-A233 PolarHBondContact O-N 3.43Å; A230-T234 WeakPolarHBondContact O-CB 3.27Å; A230-T234 PolarHBondContact O-N 2.85Å; A230-T234 PolarHBondContact O-OG1 2.93Å; A230-A261 HydrophobicContact CB-CB 4.42Å |
| 231 | V | 92.1 | Very high | 88.8 | Confident | 92 Ų | 92 | 70.4 Ų | 70.4 | 56% | 0.558 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -63.4 | -46.5 | 174.7 | 172.3 | 0 | 0 | 0 | 0 | 110.4 | L227 L228 A233 T234 G235 | L227-V231 WeakPolarHBondContact O-CG2 3.33Å; L227-V231 PolarHBondContact O-N 3.41Å; L228-V231 PolarHBondContact O-N 3.48Å; V231-A233 PolarHBondContact O-N 2.76Å; V231-T234 PolarHBondContact O-N 3.36Å; V231-G235 PolarHBondContact O-N 3.01Å |
| 232 | T | 90.2 | Very high | 88.9 | Confident | 59 Ų | 59 | 75.1 Ų | 75.1 | 36% | 0.362 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -63.8 | -40 | 176.7 | 60.1 | 0 | 0 | 0 | 0 | 112.2 | L228 L229 T234 G235 L236 | L228-T232 VanDerWaalsContact O-CG2 3.3Å; L228-T232 WeakPolarHBondContact O-CG2 3.37Å; L228-T232 PolarHBondContact O-N 3.46Å; L228-T232 PolarHBondContact O-OG1 3.21Å; L229-T232 VanDerWaalsContact CA-OG1 3.32Å; L229-T232 WeakPolarHBondContact CA-OG1 3.34Å; L229-T232 PolarHBondContact O-N 2.86Å; L229-T232 PolarHBondContact O-OG1 3.41Å; T232-T234 VanDerWaalsContact C-N 3.33Å; T232-T234 PolarHBondContact O-N 3.26Å; T232-G235 PolarHBondContact O-N 3.11Å; T232-L236 VanDerWaalsContact O-CB 3.31Å; T232-L236 WeakPolarHBondContact O-CB 3.42Å; T232-L236 WeakPolarHBondContact O-CG 3.28Å; T232-L236 PolarHBondContact O-N 3.16Å |
| 233 | A | 89.5 | Confident | 88.7 | Confident | 8 Ų | 8 | 78 Ų | 78 | 7% | 0.066 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -61.4 | -43 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | L229 A230 V231 L236 A237 V257 I258 | L229-A233 VanDerWaalsContact O-CB 3.3Å; L229-A233 WeakPolarHBondContact O-CB 3.47Å; L229-A233 PolarHBondContact O-N 3.04Å; A230-A233 PolarHBondContact O-N 3.43Å; V231-A233 PolarHBondContact O-N 2.76Å; A233-L236 PolarHBondContact O-N 2.85Å; A233-A237 VanDerWaalsContact O-CB 3.31Å; A233-A237 WeakPolarHBondContact O-CB 3.35Å; A233-A237 PolarHBondContact O-N 2.87Å; A233-V257 HydrophobicContact CB-CB 4.4Å; A233-V257 HydrophobicContact CB-CG1 3.78Å; A233-I258 HydrophobicContact CB-CG1 4.1Å |
| 234 | T | 90.3 | Very high | 88.5 | Confident | 77 Ų | 77 | 74 Ų | 74 | 47% | 0.472 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -64.9 | -46.9 | 177.4 | -54.1 | 0 | 0 | 0 | 0 | 110.5 | A230 V231 T232 L236 A237 F238 | A230-T234 WeakPolarHBondContact O-CB 3.27Å; A230-T234 PolarHBondContact O-N 2.85Å; A230-T234 PolarHBondContact O-OG1 2.93Å; V231-T234 PolarHBondContact O-N 3.36Å; T232-T234 VanDerWaalsContact C-N 3.33Å; T232-T234 PolarHBondContact O-N 3.26Å; T234-L236 PolarHBondContact O-N 3.2Å; T234-A237 WeakPolarHBondContact O-CB 3.49Å; T234-A237 PolarHBondContact O-N 3.24Å; T234-F238 HydrophobicContact CG2-CD2 3.8Å; T234-F238 HydrophobicContact CG2-CE2 3.56Å; T234-F238 WeakPolarHBondContact O-CD2 3.41Å; T234-F238 PolarHBondContact O-N 3.34Å |
| 235 | G | 90 | Very high | 88.1 | Confident | 43 Ų | 43 | 79.8 Ų | 79.8 | 44% | 0.443 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -61.4 | -42.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | V231 T232 F238 G239 | V231-G235 PolarHBondContact O-N 3.01Å; T232-G235 PolarHBondContact O-N 3.11Å; G235-F238 PolarHBondContact O-N 3Å; G235-G239 PolarHBondContact O-N 2.79Å |
| 236 | L | 89.1 | Confident | 87.9 | Confident | 83 Ų | 83 | 85.3 Ų | 85.3 | 44% | 0.435 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -62.6 | -43.1 | 174 | -74.2 | 173.5 | 0 | 0 | 0 | 111.1 | T232 A233 T234 F238 G239 T240 | T232-L236 VanDerWaalsContact O-CB 3.31Å; T232-L236 WeakPolarHBondContact O-CB 3.42Å; T232-L236 WeakPolarHBondContact O-CG 3.28Å; T232-L236 PolarHBondContact O-N 3.16Å; A233-L236 PolarHBondContact O-N 2.85Å; T234-L236 PolarHBondContact O-N 3.2Å; L236-F238 PolarHBondContact O-N 3.43Å; L236-G239 PolarHBondContact O-N 3.3Å; L236-T240 WeakPolarHBondContact O-CB 3.29Å; L236-T240 PolarHBondContact O-N 3.48Å; L236-T240 PolarHBondContact O-OG1 2.91Å |
| 237 | A | 88.8 | Confident | 87.6 | Confident | 24 Ų | 24 | 92.3 Ų | 92.3 | 20% | 0.198 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -60.2 | -47.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | A233 T234 W241 W254 | A233-A237 VanDerWaalsContact O-CB 3.31Å; A233-A237 WeakPolarHBondContact O-CB 3.35Å; A233-A237 PolarHBondContact O-N 2.87Å; T234-A237 WeakPolarHBondContact O-CB 3.49Å; T234-A237 PolarHBondContact O-N 3.24Å; A237-W241 WeakPolarHBondContact O-CB 3.39Å; A237-W241 PolarHBondContact O-N 2.84Å; A237-W254 HydrophobicContact CB-CD2 4.38Å; A237-W254 HydrophobicContact CB-CH2 4.47Å; A237-W254 HydrophobicContact CB-CZ2 4.36Å; A237-W254 WeakPolarHBondContact O-CZ2 3.42Å |
| 238 | F | 90.2 | Very high | 87.3 | Confident | 158 Ų | 158 | 90.9 Ų | 90.9 | 69% | 0.693 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -67 | -47.9 | 176.8 | -77.7 | -68.2 | 0 | 0 | 0 | 112.5 | T234 G235 L236 T240 W241 | T234-F238 HydrophobicContact CG2-CD2 3.8Å; T234-F238 HydrophobicContact CG2-CE2 3.56Å; T234-F238 WeakPolarHBondContact O-CD2 3.41Å; T234-F238 PolarHBondContact O-N 3.34Å; G235-F238 PolarHBondContact O-N 3Å; L236-F238 PolarHBondContact O-N 3.43Å; F238-T240 PolarHBondContact O-N 2.9Å; F238-W241 WeakPolarHBondContact O-CB 3.35Å; F238-W241 PolarHBondContact O-N 3.46Å |
| 239 | G | 89.7 | Confident | 87.1 | Confident | 63 Ų | 63 | 88.5 Ų | 88.5 | 65% | 0.649 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -68.2 | -35.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | G235 L236 | G235-G239 PolarHBondContact O-N 2.79Å; L236-G239 PolarHBondContact O-N 3.3Å |
| 240 | T | 91.3 | Very high | 86.9 | Confident | 35 Ų | 35 | 88.7 Ų | 88.7 | 22% | 0.215 | 47% | 0.469 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | 9 | -178.4 | 63 | 0 | 0 | 0 | 0 | 113.4 | L236 F238 K242 H243 A244 W254 | L236-T240 WeakPolarHBondContact O-CB 3.29Å; L236-T240 PolarHBondContact O-N 3.48Å; L236-T240 PolarHBondContact O-OG1 2.91Å; F238-T240 PolarHBondContact O-N 2.9Å; T240-K242 VanDerWaalsContact C-N 3.34Å; T240-K242 PolarHBondContact O-N 3.47Å; T240-H243 CarbonylContact O-C 3.57Å; T240-H243 PolarHBondContact O-N 3.19Å; T240-A244 WeakPolarHBondContact O-CB 3.46Å; T240-A244 PolarHBondContact O-N 3.17Å; T240-W254 VanDerWaalsContact OG1-CE2 3.31Å; T240-W254 WeakPolarHBondContact OG1-CZ2 3.46Å; T240-W254 PolarHBondContact OG1-NE1 3.4Å |
| 241 | W | 85.5 | Confident | 86.7 | Confident | 167 Ų | 167 | 93 Ų | 93 | 63% | 0.633 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -53.1 | -46.5 | -177.9 | -167.3 | -85.9 | 0 | 0 | 0 | 113.5 | A237 F238 H243 W254 | A237-W241 WeakPolarHBondContact O-CB 3.39Å; A237-W241 PolarHBondContact O-N 2.84Å; F238-W241 WeakPolarHBondContact O-CB 3.35Å; F238-W241 PolarHBondContact O-N 3.46Å; W241-H243 VanDerWaalsContact C-N 3.34Å; W241-W254 HydrophobicContact CE3-CH2 4.3Å |
| 242 | K | 84.2 | Confident | 86.5 | Confident | 181 Ų | 181 | 91.9 Ų | 91.9 | 79% | 0.787 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -70.8 | -30.7 | 178.9 | -166.5 | 175.7 | -177.8 | 179.2 | 0 | 112.2 | T240 | T240-K242 VanDerWaalsContact C-N 3.34Å; T240-K242 PolarHBondContact O-N 3.47Å |
| 243 | H | 79.8 | Confident | 86.4 | Confident | 116 Ų | 116 | 91.6 Ų | 91.6 | 54% | 0.537 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -80.4 | -34.2 | -179.3 | -70 | 14.4 | 0 | 0 | 0 | 112.2 | T240 W241 R245 R246 Y247 I250 | T240-H243 CarbonylContact O-C 3.57Å; T240-H243 PolarHBondContact O-N 3.19Å; W241-H243 VanDerWaalsContact C-N 3.34Å; H243-R245 PolarHBondContact O-N 3.07Å; H243-R246 PolarHBondContact O-N 3.14Å; H243-Y247 PolarHBondContact O-N 3.26Å; H243-I250 HydrophobicContact CB-CD1 3.69Å |
| 244 | A | 80.7 | Confident | 86.4 | Confident | 2 Ų | 2 | 92.7 Ų | 92.7 | 2% | 0.017 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -58 | -32.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | T240 R246 Y247 I250 Y251 W254 | T240-A244 WeakPolarHBondContact O-CB 3.46Å; T240-A244 PolarHBondContact O-N 3.17Å; A244-R246 VanDerWaalsContact C-N 3.25Å; A244-R246 PolarHBondContact O-N 3.18Å; A244-Y247 CarbonylContact O-C 3.54Å; A244-I250 HydrophobicContact CB-CB 4.2Å; A244-I250 HydrophobicContact CB-CG2 3.9Å; A244-Y251 HydrophobicContact CB-CE1 4.19Å; A244-Y251 HydrophobicContact CB-CE2 4.04Å; A244-Y251 VanDerWaalsContact O-CE2 3.27Å; A244-Y251 WeakPolarHBondContact O-CE2 3.28Å; A244-W254 HydrophobicContact CB-CH2 3.67Å; A244-W254 HydrophobicContact CB-CZ2 3.83Å; A244-W254 HydrophobicContact CB-CZ3 4.39Å |
| 245 | R | 79.1 | Confident | 86.3 | Confident | 222 Ų | 222 | 91.8 Ų | 91.8 | 84% | 0.838 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -25.7 | 174.3 | -116.4 | 176.7 | -176.8 | 177 | 0.4 | 114.3 | H243 | H243-R245 PolarHBondContact O-N 3.07Š|
| 246 | R | 82.7 | Confident | 86.3 | Confident | 206 Ų | 206 | 96.4 Ų | 96.4 | 78% | 0.777 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.7 | -31.2 | -179.6 | -164.8 | 172.7 | -171.7 | 165.1 | 2.8 | 112.3 | H243 A244 | H243-R246 PolarHBondContact O-N 3.14Å; A244-R246 VanDerWaalsContact C-N 3.25Å; A244-R246 PolarHBondContact O-N 3.18Å |
| 247 | Y | 82.3 | Confident | 86.3 | Confident | 147 Ų | 147 | 93.9 Ų | 93.9 | 58% | 0.576 | 48% | 0.482 | S | S | * | . | trans | -126.4 | 105.3 | -177.4 | -63.7 | -75.7 | 0 | 0 | 0 | 111.3 | H243 A244 G249 I250 | H243-Y247 PolarHBondContact O-N 3.26Å; A244-Y247 CarbonylContact O-C 3.54Å; Y247-G249 PolarHBondContact O-N 3.44Å; Y247-G249 VanDerWaalsContact O-N 3.17Å; Y247-I250 PolarHBondContact O-N 3.49Å | ||
| 248 | G | 83.9 | Confident | 86.4 | Confident | 56 Ų | 56 | 97 Ų | 97 | 58% | 0.577 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -26.2 | 180 | 0 | 0 | 0 | 0 | 0 | 114.5 | I250 Y251 | G248-I250 PolarHBondContact O-N 3.22Å; G248-I250 VanDerWaalsContact O-N 3.14Å; G248-Y251 WeakPolarHBondContact O-CB 3.5Å; G248-Y251 PolarHBondContact O-N 3.47Å; G248-Y251 VanDerWaalsContact O-N 3.07Å |
| 249 | G | 87.2 | Confident | 86.5 | Confident | 57 Ų | 57 | 94.3 Ų | 94.3 | 59% | 0.588 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -60.5 | -23.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y247 Y251 A252 A253 | Y247-G249 PolarHBondContact O-N 3.44Å; Y247-G249 VanDerWaalsContact O-N 3.17Å; G249-Y251 VanDerWaalsContact C-N 3.3Å; G249-Y251 PolarHBondContact O-N 3.38Å; G249-A252 WeakPolarHBondContact O-CB 3.47Å; G249-A252 PolarHBondContact O-N 3.3Å; G249-A253 PolarHBondContact O-N 3.48Å |
| 250 | I | 87.4 | Confident | 86.5 | Confident | 36 Ų | 36 | 94.6 Ų | 94.6 | 19% | 0.185 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -66.1 | -34.6 | 176.7 | -64 | 172.5 | 0 | 0 | 0 | 110.9 | H243 A244 Y247 G248 A252 A253 W254 | H243-I250 HydrophobicContact CB-CD1 3.69Å; A244-I250 HydrophobicContact CB-CB 4.2Å; A244-I250 HydrophobicContact CB-CG2 3.9Å; Y247-I250 PolarHBondContact O-N 3.49Å; G248-I250 PolarHBondContact O-N 3.22Å; G248-I250 VanDerWaalsContact O-N 3.14Å; I250-A252 VanDerWaalsContact C-N 3.33Å; I250-A252 PolarHBondContact O-N 3Å; I250-A253 WeakPolarHBondContact O-CB 3.2Å; I250-A253 PolarHBondContact O-N 3.42Å; I250-W254 HydrophobicContact CG2-CD2 4.41Å; I250-W254 HydrophobicContact CG2-CZ2 3.9Å; I250-W254 PolarHBondContact O-N 3.31Å |
| 251 | Y | 87.8 | Confident | 86.5 | Confident | 122 Ų | 122 | 93.2 Ų | 93.2 | 48% | 0.478 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -64.7 | -37.9 | 174.6 | -68.2 | -71.1 | 0 | 0 | 0 | 112.2 | A244 G248 G249 A253 W254 A255 | A244-Y251 HydrophobicContact CB-CE1 4.19Å; A244-Y251 HydrophobicContact CB-CE2 4.04Å; A244-Y251 VanDerWaalsContact O-CE2 3.27Å; A244-Y251 WeakPolarHBondContact O-CE2 3.28Å; G248-Y251 WeakPolarHBondContact O-CB 3.5Å; G248-Y251 PolarHBondContact O-N 3.47Å; G248-Y251 VanDerWaalsContact O-N 3.07Å; G249-Y251 VanDerWaalsContact C-N 3.3Å; G249-Y251 PolarHBondContact O-N 3.38Å; Y251-A253 VanDerWaalsContact C-N 3.32Å; Y251-A253 PolarHBondContact O-N 2.92Å; Y251-W254 AromaticContact CD1-CE3 3.84Å; Y251-W254 HydrophobicContact CD1-CE3 3.84Å; Y251-W254 AromaticContact CD1-CZ3 3.87Å; Y251-W254 HydrophobicContact CD1-CZ3 3.87Å; Y251-W254 HydrophobicContact CE1-CE3 4.16Å; Y251-W254 HydrophobicContact CE1-CH2 4.38Å; Y251-W254 AromaticContact CE1-CZ3 3.69Å; Y251-W254 HydrophobicContact CE1-CZ3 3.69Å; Y251-W254 PolarHBondContact O-N 3.34Å; Y251-A255 WeakPolarHBondContact O-CB 3.45Å; Y251-A255 PolarHBondContact O-N 2.88Å |
| 252 | A | 87.6 | Confident | 86.7 | Confident | 67 Ų | 67 | 89.5 Ų | 89.5 | 55% | 0.554 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -63.8 | -39.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | G249 I250 A255 F256 | G249-A252 WeakPolarHBondContact O-CB 3.47Å; G249-A252 PolarHBondContact O-N 3.3Å; I250-A252 VanDerWaalsContact C-N 3.33Å; I250-A252 PolarHBondContact O-N 3Å; A252-A255 PolarHBondContact O-N 2.9Å; A252-F256 PolarHBondContact O-N 3.5Å |
| 253 | A | 87.2 | Confident | 86.9 | Confident | 54 Ų | 54 | 85.6 Ų | 85.6 | 45% | 0.446 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -63.5 | -45.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | G249 I250 Y251 A255 F256 V257 | G249-A253 PolarHBondContact O-N 3.48Å; I250-A253 WeakPolarHBondContact O-CB 3.2Å; I250-A253 PolarHBondContact O-N 3.42Å; Y251-A253 VanDerWaalsContact C-N 3.32Å; Y251-A253 PolarHBondContact O-N 2.92Å; A253-A255 PolarHBondContact O-N 2.87Å; A253-F256 PolarHBondContact O-N 3.23Å; A253-V257 WeakPolarHBondContact O-CG2 3.32Å; A253-V257 PolarHBondContact O-N 2.9Å; A253-V257 VanDerWaalsContact O-N 3.07Å |
| 254 | W | 89 | Confident | 87.3 | Confident | 31 Ų | 31 | 81.2 Ų | 81.2 | 12% | 0.117 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -59.6 | -46.5 | 175.2 | -65.1 | -5 | 0 | 0 | 0 | 111.7 | A237 T240 W241 A244 I250 Y251 F256 V257 I258 | A237-W254 HydrophobicContact CB-CD2 4.38Å; A237-W254 HydrophobicContact CB-CH2 4.47Å; A237-W254 HydrophobicContact CB-CZ2 4.36Å; A237-W254 WeakPolarHBondContact O-CZ2 3.42Å; T240-W254 VanDerWaalsContact OG1-CE2 3.31Å; T240-W254 WeakPolarHBondContact OG1-CZ2 3.46Å; T240-W254 PolarHBondContact OG1-NE1 3.4Å; W241-W254 HydrophobicContact CE3-CH2 4.3Å; A244-W254 HydrophobicContact CB-CH2 3.67Å; A244-W254 HydrophobicContact CB-CZ2 3.83Å; A244-W254 HydrophobicContact CB-CZ3 4.39Å; I250-W254 HydrophobicContact CG2-CD2 4.41Å; I250-W254 HydrophobicContact CG2-CZ2 3.9Å; I250-W254 PolarHBondContact O-N 3.31Å; Y251-W254 AromaticContact CD1-CE3 3.84Å; Y251-W254 HydrophobicContact CD1-CE3 3.84Å; Y251-W254 AromaticContact CD1-CZ3 3.87Å; Y251-W254 HydrophobicContact CD1-CZ3 3.87Å; Y251-W254 HydrophobicContact CE1-CE3 4.16Å; Y251-W254 HydrophobicContact CE1-CH2 4.38Å; Y251-W254 AromaticContact CE1-CZ3 3.69Å; Y251-W254 HydrophobicContact CE1-CZ3 3.69Å; Y251-W254 PolarHBondContact O-N 3.34Å; W254-F256 VanDerWaalsContact C-N 3.3Å; W254-F256 PolarHBondContact O-N 2.92Å; W254-V257 PolarHBondContact O-N 2.99Å; W254-I258 HydrophobicContact CB-CD1 4.5Å; W254-I258 WeakPolarHBondContact O-CB 3.47Å; W254-I258 WeakPolarHBondContact O-CD1 3.41Å; W254-I258 WeakPolarHBondContact O-CG1 3.37Å; W254-I258 PolarHBondContact O-N 3.07Å |
| 255 | A | 89.9 | Confident | 87.6 | Confident | 57 Ų | 57 | 83.2 Ų | 83.2 | 47% | 0.471 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -58.9 | -42.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y251 A252 A253 L259 | Y251-A255 WeakPolarHBondContact O-CB 3.45Å; Y251-A255 PolarHBondContact O-N 2.88Å; A252-A255 PolarHBondContact O-N 2.9Å; A253-A255 PolarHBondContact O-N 2.87Å; A255-L259 WeakPolarHBondContact O-CB 3.22Å; A255-L259 PolarHBondContact O-N 3.41Å |
| 256 | F | 89.5 | Confident | 87.9 | Confident | 141 Ų | 141 | 74.6 Ų | 74.6 | 62% | 0.618 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -64 | -46.6 | 177.7 | -176.1 | -98.6 | 0 | 0 | 0 | 112.6 | A252 A253 W254 L259 L260 | A252-F256 PolarHBondContact O-N 3.5Å; A253-F256 PolarHBondContact O-N 3.23Å; W254-F256 VanDerWaalsContact C-N 3.3Å; W254-F256 PolarHBondContact O-N 2.92Å; F256-L259 PolarHBondContact O-N 2.82Å; F256-L260 WeakPolarHBondContact O-CB 3.3Å; F256-L260 PolarHBondContact O-N 3.45Å |
| 257 | V | 89.6 | Confident | 87.9 | Confident | 29 Ų | 29 | 72.7 Ų | 72.7 | 18% | 0.176 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -67 | -41.3 | 179.5 | -177.6 | 0 | 0 | 0 | 0 | 111 | L229 A233 A253 W254 L260 A261 | L229-V257 HydrophobicContact CD2-CG1 4.49Å; A233-V257 HydrophobicContact CB-CB 4.4Å; A233-V257 HydrophobicContact CB-CG1 3.78Å; A253-V257 WeakPolarHBondContact O-CG2 3.32Å; A253-V257 PolarHBondContact O-N 2.9Å; A253-V257 VanDerWaalsContact O-N 3.07Å; W254-V257 PolarHBondContact O-N 2.99Å; V257-L260 PolarHBondContact O-N 2.81Å; V257-A261 WeakPolarHBondContact O-CB 3.21Å; V257-A261 PolarHBondContact O-N 3.49Å |
| 258 | I | 89.8 | Confident | 87.9 | Confident | 91 Ų | 91 | 65.8 Ų | 65.8 | 47% | 0.467 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62.9 | -45.7 | 176.1 | -68.7 | 166.7 | 0 | 0 | 0 | 110.4 | A233 W254 L260 A261 V262 | A233-I258 HydrophobicContact CB-CG1 4.1Å; W254-I258 HydrophobicContact CB-CD1 4.5Å; W254-I258 WeakPolarHBondContact O-CB 3.47Å; W254-I258 WeakPolarHBondContact O-CD1 3.41Å; W254-I258 WeakPolarHBondContact O-CG1 3.37Å; W254-I258 PolarHBondContact O-N 3.07Å; I258-L260 VanDerWaalsContact C-N 3.33Å; I258-L260 PolarHBondContact O-N 3.2Å; I258-A261 PolarHBondContact O-N 3.45Å; I258-V262 HydrophobicContact CG2-CG2 4.36Å; I258-V262 WeakPolarHBondContact O-CG2 3.43Å; I258-V262 PolarHBondContact O-N 3.28Å |
| 259 | L | 92.1 | Very high | 87.7 | Confident | 100 Ų | 100 | 67.8 Ų | 67.8 | 52% | 0.524 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -58.9 | -46 | 176.9 | 179.7 | 65.5 | 0 | 0 | 0 | 111.1 | A255 F256 A261 V262 L263 | A255-L259 WeakPolarHBondContact O-CB 3.22Å; A255-L259 PolarHBondContact O-N 3.41Å; F256-L259 PolarHBondContact O-N 2.82Å; L259-A261 VanDerWaalsContact C-N 3.35Å; L259-A261 PolarHBondContact O-N 2.8Å; L259-V262 PolarHBondContact O-N 2.8Å; L259-L263 HydrophobicContact CD1-CD1 4.35Å; L259-L263 HydrophobicContact CD1-CG 4.38Å; L259-L263 HydrophobicContact CG-CD1 4.09Å; L259-L263 WeakPolarHBondContact O-CB 3.3Å; L259-L263 VanDerWaalsContact O-CG 3.27Å; L259-L263 WeakPolarHBondContact O-CG 3.4Å; L259-L263 PolarHBondContact O-N 3.34Å |
| 260 | L | 90 | Very high | 87.4 | Confident | 70 Ų | 70 | 71.9 Ų | 71.9 | 37% | 0.366 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -62.8 | -42 | 177.7 | -172.6 | 63.9 | 0 | 0 | 0 | 111.7 | L229 F256 V257 I258 L263 C264 | L229-L260 HydrophobicContact CD1-CD2 3.81Å; L229-L260 HydrophobicContact CD1-CG 3.83Å; F256-L260 WeakPolarHBondContact O-CB 3.3Å; F256-L260 PolarHBondContact O-N 3.45Å; V257-L260 PolarHBondContact O-N 2.81Å; I258-L260 VanDerWaalsContact C-N 3.33Å; I258-L260 PolarHBondContact O-N 3.2Å; L260-L263 PolarHBondContact O-N 3.36Å; L260-C264 WeakPolarHBondContact O-CB 3.31Å; L260-C264 PolarHBondContact O-N 2.85Å; L260-C264 PolarHBondContact O-SG 3.2Å |
| 261 | A | 90.5 | Very high | 86.7 | Confident | 5 Ų | 5 | 74.2 Ų | 74.2 | 4% | 0.041 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -60.7 | -46.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | L229 A230 V257 I258 L259 L263 C264 L265 | L229-A261 HydrophobicContact CB-CB 3.93Å; A230-A261 HydrophobicContact CB-CB 4.42Å; V257-A261 WeakPolarHBondContact O-CB 3.21Å; V257-A261 PolarHBondContact O-N 3.49Å; I258-A261 PolarHBondContact O-N 3.45Å; L259-A261 VanDerWaalsContact C-N 3.35Å; L259-A261 PolarHBondContact O-N 2.8Å; A261-L263 PolarHBondContact O-N 3.45Å; A261-C264 PolarHBondContact O-N 2.88Å; A261-L265 VanDerWaalsContact O-CB 3.3Å; A261-L265 WeakPolarHBondContact O-CB 3.22Å; A261-L265 WeakPolarHBondContact O-CG 3.32Å; A261-L265 PolarHBondContact O-N 3.4Å |
| 262 | V | 90.3 | Very high | 85.9 | Confident | 89 Ų | 89 | 71.7 Ų | 71.7 | 54% | 0.539 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -62.6 | -43.1 | 177.6 | 171.2 | 0 | 0 | 0 | 0 | 111.5 | I258 L259 L265 G266 | I258-V262 HydrophobicContact CG2-CG2 4.36Å; I258-V262 WeakPolarHBondContact O-CG2 3.43Å; I258-V262 PolarHBondContact O-N 3.28Å; L259-V262 PolarHBondContact O-N 2.8Å; V262-L265 PolarHBondContact O-N 3.19Å; V262-G266 PolarHBondContact O-N 3.02Å |
| 263 | L | 89.2 | Confident | 85 | Confident | 99 Ų | 99 | 73.6 Ų | 73.6 | 52% | 0.518 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -64.4 | -44.3 | 177.3 | -71 | 173.2 | 0 | 0 | 0 | 111.6 | L259 L260 A261 R267 | L259-L263 HydrophobicContact CD1-CD1 4.35Å; L259-L263 HydrophobicContact CD1-CG 4.38Å; L259-L263 HydrophobicContact CG-CD1 4.09Å; L259-L263 WeakPolarHBondContact O-CB 3.3Å; L259-L263 VanDerWaalsContact O-CG 3.27Å; L259-L263 WeakPolarHBondContact O-CG 3.4Å; L259-L263 PolarHBondContact O-N 3.34Å; L260-L263 PolarHBondContact O-N 3.36Å; A261-L263 PolarHBondContact O-N 3.45Å; L263-R267 WeakPolarHBondContact O-CB 3.35Å; L263-R267 WeakPolarHBondContact O-CG 3.39Å; L263-R267 PolarHBondContact O-N 3.44Å |
| 264 | C | 88.3 | Confident | 84.3 | Confident | 25 Ų | 25 | 72.2 Ų | 72.2 | 17% | 0.169 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -62.1 | -46.8 | 176.2 | -75.7 | 0 | 0 | 0 | 0 | 111.7 | L260 A261 A268 | L260-C264 WeakPolarHBondContact O-CB 3.31Å; L260-C264 PolarHBondContact O-N 2.85Å; L260-C264 PolarHBondContact O-SG 3.2Å; A261-C264 PolarHBondContact O-N 2.88Å; C264-A268 WeakPolarHBondContact O-CB 3.3Å; C264-A268 PolarHBondContact O-N 2.9Å |
| 265 | L | 86.8 | Confident | 83.4 | Confident | 44 Ų | 44 | 76.7 Ų | 76.7 | 23% | 0.23 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -66.6 | -43.9 | 178.1 | -71.3 | 171.7 | 0 | 0 | 0 | 111.8 | F223 A261 V262 R267 A268 L269 | F223-L265 HydrophobicContact CD2-CD2 3.88Å; F223-L265 HydrophobicContact CE2-CD2 3.97Å; A261-L265 VanDerWaalsContact O-CB 3.3Å; A261-L265 WeakPolarHBondContact O-CB 3.22Å; A261-L265 WeakPolarHBondContact O-CG 3.32Å; A261-L265 PolarHBondContact O-N 3.4Å; V262-L265 PolarHBondContact O-N 3.19Å; L265-R267 VanDerWaalsContact C-N 3.34Å; L265-R267 PolarHBondContact O-N 2.77Å; L265-A268 PolarHBondContact O-N 2.88Å; L265-A268 VanDerWaalsContact O-N 3.16Å; L265-L269 WeakPolarHBondContact O-CB 3.27Å; L265-L269 VanDerWaalsContact O-CG 3.28Å; L265-L269 WeakPolarHBondContact O-CG 3.37Å; L265-L269 PolarHBondContact O-N 3.46Å |
| 266 | G | 84.6 | Confident | 82.3 | Confident | 40 Ų | 40 | 75.8 Ų | 75.8 | 41% | 0.412 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -61.1 | -42.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | V262 Y270 | V262-G266 PolarHBondContact O-N 3.02Å; G266-Y270 WeakPolarHBondContact O-CB 3.44Å; G266-Y270 PolarHBondContact O-N 3.48Å |
| 267 | R | 83.4 | Confident | 81.3 | Confident | 167 Ų | 167 | 69 Ų | 69 | 63% | 0.63 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -63.9 | -47.7 | 172 | -69.4 | -173.9 | 88.5 | 83.2 | -0 | 110.8 | L263 L265 L269 Y270 W271 | L263-R267 WeakPolarHBondContact O-CB 3.35Å; L263-R267 WeakPolarHBondContact O-CG 3.39Å; L263-R267 PolarHBondContact O-N 3.44Å; L265-R267 VanDerWaalsContact C-N 3.34Å; L265-R267 PolarHBondContact O-N 2.77Å; R267-L269 VanDerWaalsContact C-N 3.34Å; R267-L269 PolarHBondContact O-N 2.97Å; R267-Y270 WeakPolarHBondContact O-CB 3.43Å; R267-Y270 PolarHBondContact O-N 2.59Å; R267-W271 PolarHBondContact O-N 2.95Å |
| 268 | A | 81.3 | Confident | 80.3 | Confident | 1 Ų | 1 | 72.3 Ų | 72.3 | 1% | 0.008 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -58.4 | -45 | 179 | 0 | 0 | 0 | 0 | 0 | 112.3 | C219 C222 F223 C264 L265 Y270 W271 A272 | C219-A268 PolarHBondContact SG-O 3.48Å; C222-A268 HydrophobicContact CB-CB 4.34Å; F223-A268 HydrophobicContact CB-CB 3.89Å; F223-A268 HydrophobicContact CD2-CB 4.34Å; C264-A268 WeakPolarHBondContact O-CB 3.3Å; C264-A268 PolarHBondContact O-N 2.9Å; L265-A268 PolarHBondContact O-N 2.88Å; L265-A268 VanDerWaalsContact O-N 3.16Å; A268-Y270 PolarHBondContact O-N 3.47Å; A268-W271 PolarHBondContact O-N 3.5Å; A268-A272 WeakPolarHBondContact O-CB 3.14Å; A268-A272 PolarHBondContact O-N 3.48Å |
| 269 | L | 81.1 | Confident | 79.3 | Confident | 98 Ų | 98 | 70.6 Ų | 70.6 | 51% | 0.513 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -62.2 | -42 | 176.3 | -70.7 | 173.8 | 0 | 0 | 0 | 111.8 | L265 R267 W271 A272 C273 | L265-L269 WeakPolarHBondContact O-CB 3.27Å; L265-L269 VanDerWaalsContact O-CG 3.28Å; L265-L269 WeakPolarHBondContact O-CG 3.37Å; L265-L269 PolarHBondContact O-N 3.46Å; R267-L269 VanDerWaalsContact C-N 3.34Å; R267-L269 PolarHBondContact O-N 2.97Å; L269-W271 VanDerWaalsContact C-N 3.35Å; L269-W271 PolarHBondContact O-N 3.29Å; L269-A272 PolarHBondContact O-N 3.32Å; L269-C273 WeakPolarHBondContact O-CB 3.44Å; L269-C273 PolarHBondContact O-N 2.93Å; L269-C273 PolarHBondContact O-SG 2.89Å |
| 270 | Y | 80.1 | Confident | 78.3 | Confident | 144 Ų | 144 | 67.9 Ų | 67.9 | 57% | 0.565 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -57.8 | -46.1 | 174.9 | 175 | -99.3 | 0 | 0 | 0 | 112.2 | G266 R267 A268 M274 | G266-Y270 WeakPolarHBondContact O-CB 3.44Å; G266-Y270 PolarHBondContact O-N 3.48Å; R267-Y270 WeakPolarHBondContact O-CB 3.43Å; R267-Y270 PolarHBondContact O-N 2.59Å; A268-Y270 PolarHBondContact O-N 3.47Å; Y270-M274 HydrophobicContact CD1-CE 3.66Å; Y270-M274 HydrophobicContact CE1-CE 3.29Å; Y270-M274 HydrophobicContact CE1-SD 4.15Å; Y270-M274 PolarHBondContact O-N 2.88Å |
| 271 | W | 72.8 | Confident | 76.9 | Confident | 84 Ų | 84 | 71.6 Ų | 71.6 | 32% | 0.318 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -69.5 | -32.7 | 176.7 | -66.3 | 107 | 0 | 0 | 0 | 112.9 | L198 C219 R267 A268 L269 M274 | L198-W271 HydrophobicContact CD1-CH2 4.12Å; L198-W271 HydrophobicContact CD1-CZ3 4.24Å; L198-W271 HydrophobicContact CD2-CH2 4.45Å; L198-W271 HydrophobicContact CD2-CZ3 4.09Å; C219-W271 HydrophobicContact CB-CB 3.98Å; R267-W271 PolarHBondContact O-N 2.95Å; A268-W271 PolarHBondContact O-N 3.5Å; L269-W271 VanDerWaalsContact C-N 3.35Å; L269-W271 PolarHBondContact O-N 3.29Å; W271-M274 HydrophobicContact CB-CE 4.44Å; W271-M274 HydrophobicContact CD2-CE 3.52Å; W271-M274 HydrophobicContact CE3-CE 3.05Å; W271-M274 HydrophobicContact CG-CE 4.17Å; W271-M274 HydrophobicContact CH2-CE 4.1Å; W271-M274 HydrophobicContact CZ3-CE 3.39Å |
| 272 | A | 71 | Confident | 75.1 | Confident | 69 Ų | 69 | 77.4 Ų | 77.4 | 57% | 0.57 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -70.7 | -38.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | A268 L269 M274 | A268-A272 WeakPolarHBondContact O-CB 3.14Å; A268-A272 PolarHBondContact O-N 3.48Å; L269-A272 PolarHBondContact O-N 3.32Å; A272-M274 VanDerWaalsContact C-N 3.31Å |
| 273 | C | 69.5 | Low | 72.9 | Confident | 108 Ų | 108 | 81.3 Ų | 81.3 | 73% | 0.73 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -76.9 | -15.7 | 178.3 | -69.1 | 0 | 0 | 0 | 0 | 113.1 | L269 K275 | L269-C273 WeakPolarHBondContact O-CB 3.44Å; L269-C273 PolarHBondContact O-N 2.93Å; L269-C273 PolarHBondContact O-SG 2.89Å; C273-K275 PolarHBondContact O-N 2.79Å |
| 274 | M | 71.7 | Confident | 70.3 | Confident | 25 Ų | 25 | 85.4 Ų | 85.4 | 12% | 0.123 | 45% | 0.453 | C | S | . | . | S | Bend | trans | -64.8 | 120.9 | 176.6 | -97.3 | -167.3 | -76.6 | 0 | 0 | 111.4 | L198 Y270 W271 A272 V276 | L198-M274 HydrophobicContact CD2-SD 4.2Å; Y270-M274 HydrophobicContact CD1-CE 3.66Å; Y270-M274 HydrophobicContact CE1-CE 3.29Å; Y270-M274 HydrophobicContact CE1-SD 4.15Å; Y270-M274 PolarHBondContact O-N 2.88Å; W271-M274 HydrophobicContact CB-CE 4.44Å; W271-M274 HydrophobicContact CD2-CE 3.52Å; W271-M274 HydrophobicContact CE3-CE 3.05Å; W271-M274 HydrophobicContact CG-CE 4.17Å; W271-M274 HydrophobicContact CH2-CE 4.1Å; W271-M274 HydrophobicContact CZ3-CE 3.39Å; A272-M274 VanDerWaalsContact C-N 3.31Å; M274-V276 PolarHBondContact O-N 3.22Å |
| 275 | K | 69.6 | Low | 69.4 | Low | 125 Ų | 125 | 88.5 Ų | 88.5 | 54% | 0.543 | 47% | 0.468 | S | S | . | . | P | Polyproline II helix | trans | -67.6 | 124.1 | -178.4 | -154.3 | 159.9 | 174.6 | 83.1 | 0 | 110.4 | G182 C273 | G182-K275 WeakPolarHBondContact O-CD 3.48Å; G182-K275 WeakPolarHBondContact O-CE 3.5Å; C273-K275 PolarHBondContact O-N 2.79Å |
| 276 | V | 67.6 | Low | 68.5 | Low | 37 Ų | 37 | 90.8 Ų | 90.8 | 22% | 0.224 | 48% | 0.48 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 124.6 | -179.2 | -177.8 | 0 | 0 | 0 | 0 | 109.3 | M274 | M274-V276 PolarHBondContact O-N 3.22Å |
| 277 | S | 67.5 | Low | 67.6 | Low | 0 Ų | 0 | 93.6 Ų | 93.6 | 0% | 0 | 48% | 0.484 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 132.7 | 169.3 | 41.2 | 0 | 0 | 0 | 0 | 110.4 | I180 S208 S209 I210 | I180-S277 WeakPolarHBondContact O-CA 3.26Å; I180-S277 WeakPolarHBondContact O-CB 3.31Å; S208-S277 WeakPolarHBondContact CB-OG 3.19Å; S209-S277 PolarHBondContact O-N 3.34Å; S209-S277 PolarHBondContact O-OG 3.31Å; I210-S277 WeakPolarHBondContact CG1-OG 3.42Å |
| 278 | H | 68.2 | Low | 66.6 | Low | 98 Ų | 98 | 89.3 Ų | 89.3 | 45% | 0.454 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 132.9 | -177.7 | -77 | -95.4 | 0 | 0 | 0 | 110.6 | I180 V280 | I180-H278 PolarHBondContact N-O 2.98Å; H278-V280 PolarHBondContact O-N 3.18Å |
| 279 | P | 69.5 | Low | 65.7 | Low | 55 Ų | 55 | 94.8 Ų | 94.8 | 36% | 0.357 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 131.2 | 168.3 | 30 | -32.3 | 0 | 0 | 0 | 108.5 | V177 Q281 | V177-P279 HydrophobicContact CG1-CB 3.77Å; P279-Q281 PolarHBondContact O-N 3.02Å; P279-Q281 VanDerWaalsContact O-N 3.15Å |
| 280 | V | 71.1 | Confident | 64.7 | Low | 42 Ų | 42 | 94.6 Ų | 94.6 | 26% | 0.255 | 50% | 0.504 | S | S | . | . | trans | -78.8 | 99.4 | 172.7 | -169.5 | 0 | 0 | 0 | 0 | 106.8 | R178 I180 H278 N282 | R178-V280 HydrophobicContact CB-CB 4.3Å; R178-V280 PolarHBondContact O-N 3.46Å; I180-V280 HydrophobicContact CB-CG2 4.45Å; I180-V280 HydrophobicContact CD1-CG2 3.38Å; I180-V280 HydrophobicContact CG1-CG2 3.39Å; H278-V280 PolarHBondContact O-N 3.18Å; V280-N282 HydrophobicContact CG1-CB 4.46Å; V280-N282 WeakPolarHBondContact CG1-ND2 3.46Å; V280-N282 PolarHBondContact O-N 3.26Å | ||
| 281 | Q | 61.4 | Low | 63.6 | Low | 149 Ų | 149 | 91.1 Ų | 91.1 | 70% | 0.696 | 50% | 0.5 | S | S | * | . | trans | -76.8 | 78.1 | 165 | -66.2 | -175.5 | -47.1 | 0 | 0 | 107.5 | P279 F283 | P279-Q281 PolarHBondContact O-N 3.02Å; P279-Q281 VanDerWaalsContact O-N 3.15Å; Q281-F283 HydrophobicContact CB-CD2 3.95Å; Q281-F283 HydrophobicContact CB-CE2 3.72Å; Q281-F283 HydrophobicContact CG-CE2 4.26Å; Q281-F283 PolarHBondContact O-N 2.86Å | ||
| 282 | N | 51.5 | Low | 62.9 | Low | 126 Ų | 126 | 91.6 Ų | 91.6 | 67% | 0.674 | 51% | 0.514 | S | S | * | . | trans | -75.4 | 88.9 | 160.8 | -91.4 | -58.4 | 0 | 0 | 0 | 106.3 | V280 S284 | V280-N282 HydrophobicContact CG1-CB 4.46Å; V280-N282 WeakPolarHBondContact CG1-ND2 3.46Å; V280-N282 PolarHBondContact O-N 3.26Å; N282-S284 PolarHBondContact O-N 3.22Å | ||
| 283 | F | 44.2 | Very low | 62.2 | Low | 171 Ų | 171 | 93.5 Ų | 93.5 | 75% | 0.75 | 51% | 0.509 | S | S | * | . | trans | -69.3 | 109.8 | 149.8 | -64.6 | -81.8 | 0 | 0 | 0 | 105.1 | Q281 | Q281-F283 HydrophobicContact CB-CD2 3.95Å; Q281-F283 HydrophobicContact CB-CE2 3.72Å; Q281-F283 HydrophobicContact CG-CE2 4.26Å; Q281-F283 PolarHBondContact O-N 2.86Å | ||
| 284 | S | 34.6 | Very low | 61.5 | Low | 186 Ų | 186 | 92.2 Ų | 92.2 | 100% | 1.301 | 49% | 0.489 | S | S | * | . | trans | -77.8 | 0 | 157.8 | -174.4 | 0 | 0 | 0 | 0 | 109 | N282 | N282-S284 PolarHBondContact O-N 3.22Š|
Retrieved 284 of 284 residues in 110.5 ms
(Link to these results)