| 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 | 42.8 | Very low | 48.1 | Very low | 248 Ų | 248 | 141.1 Ų | 141.1 | 100% | 1.222 | 85% | 0.848 | S | S | * | * | 0 | 113.6 | 0 | -51.1 | 167.5 | -166.2 | 0 | 0 | 105.2 | |||||
| 2 | G | 44 | Very low | 47.8 | Very low | 79 Ų | 79 | 138.8 Ų | 138.8 | 81% | 0.814 | 84% | 0.843 | S | S | * | * | cis | 101.4 | 121.4 | 24.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 3 | A | 46.8 | Very low | 47.4 | Very low | 93 Ų | 93 | 136 Ų | 136 | 77% | 0.769 | 84% | 0.844 | S | S | * | * | cis | -152 | 154.5 | -9.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 4 | K | 48.6 | Very low | 47.8 | Very low | 199 Ų | 199 | 133.1 Ų | 133.1 | 87% | 0.865 | 84% | 0.84 | S | S | * | * | trans | -47.6 | 141 | 169.9 | 57.7 | -142.5 | 164.4 | 179.6 | 0 | 114.9 | ||||
| 5 | Q | 52.7 | Low | 47.7 | Very low | 199 Ų | 199 | 135.9 Ų | 135.9 | 93% | 0.93 | 85% | 0.847 | S | S | * | * | trans | -102.9 | 151.2 | 156.6 | -69.5 | -176.9 | 50.8 | 0 | 0 | 109.3 | ||||
| 6 | S | 47.9 | Very low | 47.3 | Very low | 114 Ų | 114 | 132.2 Ų | 132.2 | 80% | 0.797 | 84% | 0.843 | S | S | * | * | trans | -116.9 | 141.9 | -153.4 | 46.8 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 7 | S | 48.4 | Very low | 47.8 | Very low | 101 Ų | 101 | 138.2 Ų | 138.2 | 71% | 0.706 | 85% | 0.845 | S | S | * | * | trans | -68.1 | 169.8 | 158.2 | -41.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 8 | P | 52.3 | Low | 47.8 | Very low | 130 Ų | 130 | 138.2 Ų | 138.2 | 84% | 0.844 | 85% | 0.845 | S | S | * | * | -134.2 | 160.3 | 102.7 | 37 | -28.3 | 0 | 0 | 0 | 114.2 | |||||
| 9 | S | 48.8 | Very low | 48.1 | Very low | 108 Ų | 108 | 141.4 Ų | 141.4 | 76% | 0.755 | 84% | 0.84 | S | S | * | * | trans | -99.5 | -144.7 | -179.5 | -57.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 10 | P | 51.5 | Low | 48.2 | Very low | 110 Ų | 110 | 138.8 Ų | 138.8 | 71% | 0.714 | 84% | 0.835 | S | S | * | * | -103.2 | 173.4 | -129.9 | 36.7 | -20 | 0 | 0 | 0 | 113.8 | |||||
| 11 | N | 44.8 | Very low | 48.1 | Very low | 171 Ų | 171 | 141.3 Ų | 141.3 | 91% | 0.914 | 83% | 0.831 | S | S | * | * | trans | -125.2 | 110.2 | 163.1 | -101.5 | -17.5 | 0 | 0 | 0 | 111.3 | ||||
| 12 | S | 45.6 | Very low | 48.5 | Very low | 113 Ų | 113 | 134.9 Ų | 134.9 | 79% | 0.79 | 81% | 0.81 | S | S | * | * | trans | -98 | 128.3 | 162.6 | -60 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 13 | A | 42 | Very low | 48.2 | Very low | 103 Ų | 103 | 134.4 Ų | 134.4 | 85% | 0.851 | 81% | 0.806 | S | S | * | * | trans | -167.6 | 143.4 | 152.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 14 | A | 52.5 | Low | 48.4 | Very low | 95 Ų | 95 | 135.3 Ų | 135.3 | 79% | 0.785 | 81% | 0.807 | S | S | * | * | trans | 98.3 | 80.8 | 148.5 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 15 | N | 46.8 | Very low | 48.3 | Very low | 176 Ų | 176 | 133.3 Ų | 133.3 | 94% | 0.941 | 81% | 0.805 | S | S | * | * | trans | 3.5 | 135.2 | 133.5 | -64.9 | -25.4 | 0 | 0 | 0 | 119 | ||||
| 16 | G | 42.1 | Very low | 48.2 | Very low | 76 Ų | 76 | 131.4 Ų | 131.4 | 78% | 0.784 | 80% | 0.801 | S | S | * | * | trans | -161.6 | 35.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 17 | R | 54.8 | Low | 48.1 | Very low | 235 Ų | 235 | 131.9 Ų | 131.9 | 89% | 0.887 | 80% | 0.801 | S | S | * | * | trans | 48.5 | 115.8 | 163.2 | -74.2 | 179.8 | 173.4 | 133.7 | -1.5 | 120 | ||||
| 18 | T | 48.8 | Very low | 47.6 | Very low | 137 Ų | 137 | 132.9 Ų | 132.9 | 84% | 0.84 | 81% | 0.808 | S | S | * | * | -2.4 | 118.7 | 129.5 | 16 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 19 | R | 52.8 | Low | 47.2 | Very low | 200 Ų | 200 | 132.4 Ų | 132.4 | 76% | 0.755 | 81% | 0.808 | S | S | * | * | trans | -92.4 | 101.3 | 155.2 | -95.2 | -171 | 171.3 | -144.8 | -2 | 109.7 | Y21 | R19-Y21 PolarHBondContact NH1-OH 3.05Š| ||
| 20 | A | 49.6 | Very low | 46.9 | Very low | 89 Ų | 89 | 133.6 Ų | 133.6 | 74% | 0.736 | 81% | 0.811 | S | S | * | * | trans | -82.2 | 132.9 | 159.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 21 | Y | 47.5 | Very low | 46.5 | Very low | 191 Ų | 191 | 133.4 Ų | 133.4 | 75% | 0.749 | 81% | 0.812 | S | S | * | * | trans | -95.5 | 94.7 | 169.5 | -66.4 | -77.1 | 0 | 0 | 0 | 108.9 | R19 | R19-Y21 PolarHBondContact NH1-OH 3.05Š| ||
| 22 | S | 49.9 | Very low | 46.3 | Very low | 113 Ų | 113 | 130.2 Ų | 130.2 | 79% | 0.79 | 80% | 0.803 | S | S | * | * | trans | -128 | 92.3 | 162.9 | -62.5 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 23 | G | 38.9 | Very low | 46.1 | Very low | 70 Ų | 70 | 130.5 Ų | 130.5 | 72% | 0.722 | 81% | 0.805 | S | S | * | * | trans | -118.8 | 95.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 24 | S | 49.2 | Very low | 45.8 | Very low | 112 Ų | 112 | 128.9 Ų | 128.9 | 78% | 0.783 | 80% | 0.799 | S | S | * | * | trans | -96.1 | 102.4 | 178.4 | -57.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 25 | D | 48.2 | Very low | 45.2 | Very low | 157 Ų | 157 | 130.3 Ų | 130.3 | 84% | 0.84 | 80% | 0.803 | S | S | * | * | trans | -123.7 | 88.4 | 173.5 | -74.2 | -67 | 0 | 0 | 0 | 109.9 | ||||
| 26 | L | 50 | Low | 44.7 | Very low | 158 Ų | 158 | 126 Ų | 126 | 83% | 0.827 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -100.9 | 127.4 | 166.8 | -73.2 | 168.6 | 0 | 0 | 0 | 108.5 | S28 | L26-S28 PolarHBondContact O-N 3.48Š|
| 27 | P | 45.8 | Very low | 44.5 | Very low | 125 Ų | 125 | 125.8 Ų | 125.8 | 81% | 0.812 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 120.6 | 175.1 | 28.7 | -32.3 | 0 | 0 | 0 | 110.4 | ||
| 28 | S | 38.5 | Very low | 44.1 | Very low | 122 Ų | 122 | 126 Ų | 126 | 85% | 0.853 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -89.6 | 123.8 | 170.6 | -66.2 | 0 | 0 | 0 | 0 | 110.8 | L26 | L26-S28 PolarHBondContact O-N 3.48Š|
| 29 | S | 42.7 | Very low | 43.6 | Very low | 120 Ų | 120 | 125.6 Ų | 125.6 | 84% | 0.839 | 80% | 0.796 | S | S | * | * | trans | -105.5 | 120.6 | 167.2 | -61.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 30 | T | 44 | Very low | 42.9 | Very low | 132 Ų | 132 | 120.4 Ų | 120.4 | 81% | 0.81 | 80% | 0.796 | S | S | * | * | trans | -65.2 | 156.3 | 160.1 | 54 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 31 | S | 42 | Very low | 42.4 | Very low | 107 Ų | 107 | 121 Ų | 121 | 75% | 0.748 | 80% | 0.801 | S | S | * | * | cis | -171.4 | 170.9 | 19.2 | 1.6 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 32 | S | 40.6 | Very low | 41.9 | Very low | 103 Ų | 103 | 116.7 Ų | 116.7 | 72% | 0.72 | 81% | 0.805 | S | S | * | * | cis | -175.6 | 179.1 | -7.7 | 49.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 33 | S | 41.1 | Very low | 41.2 | Very low | 119 Ų | 119 | 115 Ų | 115 | 83% | 0.832 | 81% | 0.805 | S | S | * | * | trans | 90.5 | 131.2 | 151.7 | -51.9 | 0 | 0 | 0 | 0 | 121 | ||||
| 34 | G | 35.2 | Very low | 41.2 | Very low | 70 Ų | 70 | 116 Ų | 116 | 72% | 0.722 | 81% | 0.807 | S | S | * | * | trans | 117.4 | 71.2 | 161.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 35 | S | 41.4 | Very low | 40.7 | Very low | 124 Ų | 124 | 122.8 Ų | 122.8 | 87% | 0.867 | 82% | 0.815 | S | S | * | * | 87.2 | 114.5 | 71.7 | 72.1 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 36 | G | 36.7 | Very low | 40.2 | Very low | 87 Ų | 87 | 118.9 Ų | 118.9 | 90% | 0.897 | 81% | 0.812 | S | S | * | * | trans | 103.5 | 131.6 | 165.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 37 | G | 36.3 | Very low | 39.7 | Very low | 71 Ų | 71 | 121.3 Ų | 121.3 | 73% | 0.732 | 81% | 0.81 | S | S | * | * | cis | 136.7 | 103.4 | -11.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 38 | R | 46.2 | Very low | 39.4 | Very low | 240 Ų | 240 | 122.5 Ų | 122.5 | 91% | 0.906 | 80% | 0.804 | S | S | * | * | trans | 73.5 | 149.8 | 161.5 | -57.5 | 178.2 | 174.8 | -141.7 | -4.2 | 115.3 | ||||
| 39 | T | 38.3 | Very low | 39.5 | Very low | 128 Ų | 128 | 128 Ų | 128 | 79% | 0.785 | 81% | 0.806 | S | S | * | * | cis | -160.7 | 149.9 | 6.7 | -2.2 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 40 | A | 39 | Very low | 39.5 | Very low | 90 Ų | 90 | 126.5 Ų | 126.5 | 74% | 0.744 | 80% | 0.802 | S | S | * | * | trans | 50.8 | 131.8 | 138.6 | 0 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 41 | A | 39 | Very low | 39.3 | Very low | 102 Ų | 102 | 128.7 Ų | 128.7 | 84% | 0.843 | 80% | 0.802 | S | S | * | * | 82.1 | 151 | 129.8 | 0 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 42 | A | 37.6 | Very low | 39 | Very low | 100 Ų | 100 | 126.6 Ų | 126.6 | 83% | 0.826 | 80% | 0.798 | S | S | * | * | cis | -167.8 | 168 | -19.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 43 | G | 34.6 | Very low | 38.9 | Very low | 77 Ų | 77 | 128.5 Ų | 128.5 | 79% | 0.794 | 81% | 0.805 | S | S | * | * | trans | 94 | 123.5 | 166.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 44 | A | 39.4 | Very low | 38.9 | Very low | 93 Ų | 93 | 128 Ų | 128 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | cis | 126.7 | 137.9 | -1.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 45 | R | 38.9 | Very low | 38.9 | Very low | 254 Ų | 254 | 135.6 Ų | 135.6 | 96% | 0.958 | 81% | 0.808 | S | S | * | * | trans | 107 | 143.1 | 152.6 | -57.2 | -174.2 | 179 | -112.4 | -4.5 | 119.2 | ||||
| 46 | G | 36.3 | Very low | 38.9 | Very low | 74 Ų | 74 | 134.7 Ų | 134.7 | 76% | 0.763 | 81% | 0.808 | S | S | * | * | trans | 104 | 87.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 47 | R | 40.4 | Very low | 38.9 | Very low | 210 Ų | 210 | 136.6 Ų | 136.6 | 79% | 0.792 | 80% | 0.803 | S | S | * | * | cis | 70.5 | 89.1 | 36.9 | -73.6 | -155 | 176 | -130.7 | -1.7 | 116.4 | ||||
| 48 | H | 40.2 | Very low | 38.9 | Very low | 149 Ų | 149 | 137.2 Ų | 137.2 | 69% | 0.69 | 81% | 0.809 | S | S | * | * | trans | 67.4 | 121.4 | 132 | -43.2 | -31.9 | 0 | 0 | 0 | 120.7 | ||||
| 49 | R | 39 | Very low | 38.4 | Very low | 237 Ų | 237 | 130.4 Ų | 130.4 | 89% | 0.894 | 80% | 0.804 | S | S | * | * | -166.1 | 147.5 | 114.5 | -110.9 | 176.4 | 179 | -163 | -1.8 | 112.8 | |||||
| 50 | A | 42.5 | Very low | 38.4 | Very low | 90 Ų | 90 | 128.9 Ų | 128.9 | 74% | 0.744 | 80% | 0.804 | S | S | * | * | trans | -127.6 | 133.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 51 | H | 41.5 | Very low | 38.4 | Very low | 178 Ų | 178 | 129.9 Ų | 129.9 | 82% | 0.824 | 81% | 0.806 | S | S | * | * | trans | -164.4 | 137.6 | 162.8 | -80.2 | -81.9 | 0 | 0 | 0 | 104.1 | ||||
| 52 | G | 35.1 | Very low | 38.4 | Very low | 63 Ų | 63 | 130.1 Ų | 130.1 | 65% | 0.649 | 80% | 0.801 | S | S | * | * | cis | 102.7 | 81.6 | 3.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 53 | V | 39.2 | Very low | 38.7 | Very low | 143 Ų | 143 | 131.2 Ų | 131.2 | 87% | 0.867 | 80% | 0.803 | S | S | * | * | trans | -170.7 | 137.8 | 143.7 | -94.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 54 | S | 39.9 | Very low | 38.6 | Very low | 109 Ų | 109 | 130.5 Ų | 130.5 | 76% | 0.762 | 80% | 0.796 | S | S | * | * | trans | 51 | 99.4 | 137.5 | -53.5 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 55 | R | 36 | Very low | 38.8 | Very low | 229 Ų | 229 | 135 Ų | 135 | 86% | 0.864 | 80% | 0.8 | S | S | * | * | 14.4 | 121.3 | 113.3 | -174.9 | 168.9 | 76.6 | -167.7 | 7.4 | 117.6 | T57 | R55-T57 HydrophobicContact CG-CG2 4.31Š| |||
| 56 | A | 40.4 | Very low | 39.3 | Very low | 105 Ų | 105 | 128.1 Ų | 128.1 | 87% | 0.868 | 79% | 0.789 | S | S | * | * | trans | -119 | 131.3 | 150.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 57 | T | 38 | Very low | 39.5 | Very low | 127 Ų | 127 | 134 Ų | 134 | 78% | 0.779 | 80% | 0.796 | S | S | * | * | trans | -95.4 | 133.4 | 176.5 | 43.4 | 0 | 0 | 0 | 0 | 110.5 | R55 | R55-T57 HydrophobicContact CG-CG2 4.31Š| ||
| 58 | G | 35.3 | Very low | 39.3 | Very low | 84 Ų | 84 | 127.6 Ų | 127.6 | 87% | 0.866 | 80% | 0.796 | S | S | * | * | trans | -136.8 | 120.4 | 164.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 59 | A | 36.7 | Very low | 39.3 | Very low | 96 Ų | 96 | 125.6 Ų | 125.6 | 79% | 0.793 | 80% | 0.804 | S | S | * | * | trans | -130.3 | 160.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 60 | A | 36.7 | Very low | 39.6 | Very low | 97 Ų | 97 | 123.5 Ų | 123.5 | 80% | 0.802 | 80% | 0.797 | S | S | * | * | trans | 67.7 | 148.7 | 168.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 61 | S | 39.2 | Very low | 40.1 | Very low | 110 Ų | 110 | 125 Ų | 125 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | cis | -160.9 | 158.1 | -12.8 | -105.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 62 | S | 38.9 | Very low | 40 | Very low | 108 Ų | 108 | 126 Ų | 126 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | trans | -21.8 | 133.7 | 163.5 | 55.8 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 63 | S | 44.2 | Very low | 40.2 | Very low | 123 Ų | 123 | 129 Ų | 129 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | 177.3 | 138.6 | 124.6 | 38 | 0 | 0 | 0 | 0 | 108.3 | |||||
| 64 | G | 33 | Very low | 40.2 | Very low | 62 Ų | 62 | 127.3 Ų | 127.3 | 64% | 0.639 | 81% | 0.807 | S | S | * | * | cis | 109.3 | 91.2 | 7.7 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 65 | H | 42.7 | Very low | 39.9 | Very low | 187 Ų | 187 | 125.7 Ų | 125.7 | 87% | 0.866 | 81% | 0.808 | S | S | * | * | trans | -168.3 | 141.8 | 145.7 | -106.5 | 78.1 | 0 | 0 | 0 | 111.2 | ||||
| 66 | P | 49.8 | Very low | 39.7 | Very low | 110 Ų | 110 | 118.4 Ų | 118.4 | 71% | 0.714 | 80% | 0.804 | S | S | * | * | trans | -98.2 | 152.7 | -180 | 37.3 | -33.1 | 0 | 0 | 0 | 112.7 | ||||
| 67 | H | 41.1 | Very low | 39.7 | Very low | 196 Ų | 196 | 119.5 Ų | 119.5 | 91% | 0.907 | 81% | 0.805 | S | S | * | * | trans | -123 | 99.5 | 161.7 | -80.8 | -65.5 | 0 | 0 | 0 | 110.8 | ||||
| 68 | G | 35.1 | Very low | 39.4 | Very low | 77 Ų | 77 | 117.4 Ų | 117.4 | 79% | 0.794 | 81% | 0.809 | S | S | * | * | trans | -91.5 | 138 | 161 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 69 | A | 41.3 | Very low | 39.4 | Very low | 106 Ų | 106 | 117 Ų | 117 | 88% | 0.876 | 80% | 0.804 | S | S | * | * | trans | -149.3 | 108.2 | 159.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 70 | R | 45.1 | Very low | 40.1 | Very low | 193 Ų | 193 | 117.4 Ų | 117.4 | 73% | 0.728 | 80% | 0.799 | S | S | * | * | trans | -111.1 | 144.4 | 167.9 | -174.6 | -170.8 | -177 | -171.7 | 10.1 | 106.9 | ||||
| 71 | P | 52.6 | Low | 40 | Very low | 121 Ų | 121 | 122 Ų | 122 | 79% | 0.786 | 80% | 0.801 | S | S | * | * | trans | -121.1 | 154.9 | 141.1 | 28 | -16.3 | 0 | 0 | 0 | 112.3 | ||||
| 72 | R | 40.4 | Very low | 39.9 | Very low | 200 Ų | 200 | 121.7 Ų | 121.7 | 76% | 0.755 | 81% | 0.805 | S | S | * | * | trans | -100.1 | 152.8 | 169.6 | -69.9 | 169.9 | 157.7 | 162.5 | -7.4 | 107.9 | ||||
| 73 | S | 39.3 | Very low | 39.8 | Very low | 126 Ų | 126 | 127.1 Ų | 127.1 | 88% | 0.881 | 81% | 0.809 | S | S | * | * | trans | -134.2 | 123.8 | 150.5 | -67.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 74 | A | 39.6 | Very low | 39.4 | Very low | 107 Ų | 107 | 125.5 Ų | 125.5 | 88% | 0.884 | 80% | 0.803 | S | S | * | * | trans | -86.5 | 165.8 | 154.9 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 75 | G | 33.6 | Very low | 39.6 | Very low | 75 Ų | 75 | 130.2 Ų | 130.2 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | cis | 165.6 | 178 | -1.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 76 | G | 31.3 | Very low | 39.6 | Very low | 76 Ų | 76 | 126.9 Ų | 126.9 | 78% | 0.784 | 81% | 0.806 | S | S | * | * | trans | 97.2 | 155.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 77 | S | 39 | Very low | 39 | Very low | 128 Ų | 128 | 125 Ų | 125 | 90% | 0.895 | 81% | 0.808 | S | S | * | * | cis | -176.7 | 137.2 | -17.6 | 41.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 78 | G | 33.4 | Very low | 39.4 | Very low | 83 Ų | 83 | 123 Ų | 123 | 86% | 0.856 | 80% | 0.802 | S | S | * | * | trans | 129.2 | 115.5 | 167.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 79 | G | 33.5 | Very low | 39.6 | Very low | 75 Ų | 75 | 126.6 Ų | 126.6 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | trans | -100.3 | -147.2 | 161.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 80 | P | 52.6 | Low | 39.9 | Very low | 105 Ų | 105 | 127.5 Ų | 127.5 | 68% | 0.682 | 79% | 0.791 | S | S | * | * | cis | -124.2 | -140.3 | -9.1 | 42 | -26.2 | 0 | 0 | 0 | 111.4 | ||||
| 81 | F | 33.7 | Very low | 39.9 | Very low | 194 Ų | 194 | 124.3 Ų | 124.3 | 85% | 0.851 | 80% | 0.796 | S | S | * | * | trans | 77.3 | 136.9 | -177.8 | -51.1 | -74.2 | 0 | 0 | 0 | 114.9 | ||||
| 82 | A | 38.1 | Very low | 39.2 | Very low | 103 Ų | 103 | 123.5 Ų | 123.5 | 85% | 0.851 | 79% | 0.793 | S | S | * | * | cis | -151.3 | 174.1 | -8.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 83 | R | 37 | Very low | 39.4 | Very low | 222 Ų | 222 | 120.2 Ų | 120.2 | 84% | 0.838 | 80% | 0.801 | S | S | * | * | trans | -115.7 | 129.4 | -174.3 | 161.5 | -171.1 | 169.9 | 168.5 | -1.6 | 111.5 | ||||
| 84 | A | 35.6 | Very low | 39.2 | Very low | 89 Ų | 89 | 117.8 Ų | 117.8 | 74% | 0.736 | 80% | 0.796 | S | S | * | * | trans | -176.3 | 125.3 | 152.9 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 85 | Q | 36.1 | Very low | 39 | Very low | 162 Ų | 162 | 116.3 Ų | 116.3 | 76% | 0.757 | 79% | 0.791 | S | S | * | * | 71.7 | 108.9 | 71 | -81.7 | -173.7 | -18.5 | 0 | 0 | 115.9 | |||||
| 86 | S | 43.9 | Very low | 39 | Very low | 116 Ų | 116 | 118.8 Ų | 118.8 | 81% | 0.811 | 79% | 0.791 | S | S | * | * | trans | 16.6 | 130 | 144 | 56.9 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 87 | G | 36.8 | Very low | 39.4 | Very low | 72 Ų | 72 | 125 Ų | 125 | 74% | 0.742 | 79% | 0.792 | S | S | * | * | trans | -170.9 | 106.5 | 159 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 88 | I | 49.7 | Very low | 39.4 | Very low | 154 Ų | 154 | 123.4 Ų | 123.4 | 79% | 0.79 | 78% | 0.781 | S | S | * | * | trans | -70.8 | 137.5 | 166.3 | -70.5 | 71 | 0 | 0 | 0 | 107 | I90 | I88-I90 HydrophobicContact CG2-CD1 4.25Å; I88-I90 HydrophobicContact CG2-CG1 4.05Å | ||
| 89 | N | 39.7 | Very low | 39.8 | Very low | 151 Ų | 151 | 124.7 Ų | 124.7 | 81% | 0.807 | 78% | 0.777 | S | S | * | * | trans | -128.9 | 117.3 | 173.5 | -154.6 | -9.8 | 0 | 0 | 0 | 111 | ||||
| 90 | I | 46.5 | Very low | 40.8 | Very low | 125 Ų | 125 | 126.9 Ų | 126.9 | 64% | 0.641 | 78% | 0.778 | S | S | * | * | trans | -114.7 | 120.5 | 178.7 | -61.8 | 162.1 | 0 | 0 | 0 | 106.9 | I88 S92 | I88-I90 HydrophobicContact CG2-CD1 4.25Å; I88-I90 HydrophobicContact CG2-CG1 4.05Å; I90-S92 PolarHBondContact O-N 3.3Å | ||
| 91 | P | 45.7 | Very low | 39.9 | Very low | 126 Ų | 126 | 130 Ų | 130 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | trans | -87.2 | 108 | 169.8 | 30.6 | -26.6 | 0 | 0 | 0 | 110.5 | ||||
| 92 | S | 37.7 | Very low | 40.2 | Very low | 105 Ų | 105 | 126.2 Ų | 126.2 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | trans | -130.2 | 104.7 | 164.3 | -83.4 | 0 | 0 | 0 | 0 | 110.1 | I90 | I90-S92 PolarHBondContact O-N 3.3Š| ||
| 93 | S | 44.8 | Very low | 40.1 | Very low | 130 Ų | 130 | 125.4 Ų | 125.4 | 91% | 0.909 | 78% | 0.782 | S | S | * | * | trans | -159.5 | 138.3 | 166.4 | -67.1 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 94 | G | 35.8 | Very low | 40.1 | Very low | 76 Ų | 76 | 118.1 Ų | 118.1 | 78% | 0.784 | 78% | 0.777 | S | S | * | * | cis | 132.2 | 73.3 | -0.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 95 | G | 33.9 | Very low | 40.1 | Very low | 76 Ų | 76 | 120 Ų | 120 | 78% | 0.784 | 78% | 0.784 | S | S | * | * | trans | 75.3 | 168.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 96 | V | 33.8 | Very low | 40.2 | Very low | 127 Ų | 127 | 117 Ų | 117 | 77% | 0.77 | 78% | 0.781 | S | S | * | * | cis | -150.8 | 159 | 10.9 | -175.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 97 | Y | 40.6 | Very low | 41.2 | Very low | 205 Ų | 205 | 116.9 Ų | 116.9 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | trans | 39 | 125.5 | 161.5 | 86.2 | -54.1 | 0 | 0 | 0 | 120.7 | ||||
| 98 | S | 38.8 | Very low | 41.4 | Very low | 95 Ų | 95 | 122.3 Ų | 122.3 | 66% | 0.664 | 78% | 0.783 | S | S | * | * | -169.8 | 136.9 | 71.3 | -64 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 99 | S | 42.6 | Very low | 40.9 | Very low | 111 Ų | 111 | 123.8 Ų | 123.8 | 78% | 0.776 | 79% | 0.787 | S | S | * | * | trans | -86.5 | 159.7 | 152.6 | -60.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 100 | P | 53 | Low | 40.9 | Very low | 120 Ų | 120 | 121 Ų | 121 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | -122.7 | 149.2 | 105.5 | -2.5 | 22.4 | 0 | 0 | 0 | 115 | |||||
| 101 | E | 34.8 | Very low | 40.5 | Very low | 171 Ų | 171 | 119.7 Ų | 119.7 | 80% | 0.799 | 79% | 0.793 | S | S | * | * | trans | -42.3 | 169.2 | 159.5 | 61.7 | -151.7 | 62.3 | 0 | 0 | 119.9 | ||||
| 102 | S | 40.5 | Very low | 40 | Very low | 115 Ų | 115 | 119.9 Ų | 119.9 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | trans | 92.4 | 115.8 | 146.1 | -63.9 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 103 | G | 35.3 | Very low | 40.4 | Very low | 85 Ų | 85 | 125.6 Ų | 125.6 | 88% | 0.876 | 79% | 0.793 | S | S | * | * | trans | 161.9 | 87.3 | 167.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 104 | G | 35.7 | Very low | 40.1 | Very low | 70 Ų | 70 | 125.8 Ų | 125.8 | 72% | 0.722 | 78% | 0.783 | S | S | * | * | trans | -109.6 | 177.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 105 | S | 37.5 | Very low | 40.3 | Very low | 128 Ų | 128 | 134.1 Ų | 134.1 | 90% | 0.895 | 79% | 0.791 | S | S | * | * | trans | 71.7 | 147.5 | 179.7 | -49.6 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 106 | S | 36.7 | Very low | 40.6 | Very low | 98 Ų | 98 | 141.5 Ų | 141.5 | 69% | 0.685 | 80% | 0.795 | S | S | * | * | cis | -156.6 | 168.3 | -6.6 | -134.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 107 | P | 66.1 | Low | 40.8 | Very low | 114 Ų | 114 | 139 Ų | 139 | 74% | 0.74 | 80% | 0.795 | S | S | * | * | trans | -103.7 | 127.1 | 175.8 | 35.4 | -25.6 | 0 | 0 | 0 | 112.9 | ||||
| 108 | E | 40.5 | Very low | 41.3 | Very low | 186 Ų | 186 | 136.1 Ų | 136.1 | 87% | 0.869 | 79% | 0.793 | S | S | * | * | trans | -157 | 143.6 | 161 | 38.6 | -151.9 | 105.5 | 0 | 0 | 115.1 | ||||
| 109 | E | 38.5 | Very low | 41.7 | Very low | 185 Ų | 185 | 137.9 Ų | 137.9 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | trans | -63.4 | 153 | -175.3 | -54.4 | -86.3 | 85.9 | 0 | 0 | 113.9 | ||||
| 110 | A | 40.2 | Very low | 41.7 | Very low | 94 Ų | 94 | 135.9 Ų | 135.9 | 78% | 0.777 | 79% | 0.793 | S | S | * | * | 158.7 | 139.9 | 104.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 111 | A | 37.2 | Very low | 41.4 | Very low | 96 Ų | 96 | 138.2 Ų | 138.2 | 79% | 0.793 | 79% | 0.793 | S | S | * | * | trans | 74.9 | 118.8 | 141.2 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 112 | D | 36.2 | Very low | 42.5 | Very low | 130 Ų | 130 | 141.7 Ų | 141.7 | 70% | 0.695 | 80% | 0.798 | S | S | * | * | trans | 71.7 | 99.2 | 135.6 | -149.5 | -125.4 | 0 | 0 | 0 | 119.4 | ||||
| 113 | R | 46.4 | Very low | 43.2 | Very low | 226 Ų | 226 | 142.1 Ų | 142.1 | 85% | 0.853 | 79% | 0.791 | S | S | * | * | -164.6 | 135.3 | 88.3 | -98.3 | 175.5 | -173.4 | 170.9 | 0 | 114.6 | |||||
| 114 | D | 38 | Very low | 44.1 | Very low | 134 Ų | 134 | 145 Ų | 145 | 72% | 0.717 | 79% | 0.791 | S | S | * | * | trans | -67.6 | 126.1 | 172.8 | -149.4 | -58.2 | 0 | 0 | 0 | 111.5 | R116 | D114-R116 PolarHBondContact OD1-N 2.64Š| ||
| 115 | R | 40.3 | Very low | 44.9 | Very low | 250 Ų | 250 | 148.8 Ų | 148.8 | 94% | 0.943 | 79% | 0.794 | S | S | * | * | trans | -148 | 84.5 | 148.2 | -124.6 | 177.3 | -175.8 | -176.4 | -0.1 | 111.4 | ||||
| 116 | R | 40.8 | Very low | 45.5 | Very low | 232 Ų | 232 | 145.1 Ų | 145.1 | 88% | 0.875 | 78% | 0.775 | S | S | * | * | trans | -36 | 143.5 | 153.5 | -94 | -179.5 | 162.2 | -91.5 | 0 | 112.3 | D114 | D114-R116 PolarHBondContact OD1-N 2.64Š| ||
| 117 | G | 37.5 | Very low | 46.4 | Very low | 73 Ų | 73 | 146.5 Ų | 146.5 | 75% | 0.753 | 79% | 0.785 | S | S | * | * | trans | 133.8 | 75.6 | 152.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | D119 | G117-D119 PolarHBondContact O-N 2.9Š| ||
| 118 | N | 51.6 | Low | 45.5 | Very low | 145 Ų | 145 | 146.9 Ų | 146.9 | 78% | 0.775 | 78% | 0.781 | S | S | * | * | trans | 7.4 | 101.7 | 141.1 | -175.5 | 96.8 | 0 | 0 | 0 | 115.9 | ||||
| 119 | D | 46.2 | Very low | 46.1 | Very low | 132 Ų | 132 | 141.7 Ų | 141.7 | 71% | 0.706 | 76% | 0.763 | S | S | * | * | -157.6 | 84.5 | 116.4 | -117.1 | -81.5 | 0 | 0 | 0 | 108.1 | G117 H121 | G117-D119 PolarHBondContact O-N 2.9Å; D119-H121 PolarHBondContact O-N 3Å | |||
| 120 | G | 43 | Very low | 46.7 | Very low | 70 Ų | 70 | 137.6 Ų | 137.6 | 72% | 0.722 | 76% | 0.761 | S | S | * | * | trans | -62.8 | 110.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | R122 | G120-R122 PolarHBondContact O-N 3.34Å; G120-R122 VanDerWaalsContact O-N 3.12Å | ||
| 121 | H | 47.1 | Very low | 47.3 | Very low | 169 Ų | 169 | 141.1 Ų | 141.1 | 78% | 0.782 | 76% | 0.761 | S | S | * | * | trans | -47.7 | 121.6 | -174.2 | -87.4 | -116.7 | 0 | 0 | 0 | 110.8 | D119 L123 | D119-H121 PolarHBondContact O-N 3Å; H121-L123 PolarHBondContact O-N 3.04Å | ||
| 122 | R | 56.1 | Low | 48 | Very low | 243 Ų | 243 | 142.6 Ų | 142.6 | 92% | 0.917 | 76% | 0.755 | S | S | * | * | trans | -70.5 | 62.2 | -165.6 | -161.4 | -176.5 | -163.4 | -85.2 | 3.6 | 112.6 | G120 | G120-R122 PolarHBondContact O-N 3.34Å; G120-R122 VanDerWaalsContact O-N 3.12Å | ||
| 123 | L | 57.3 | Low | 48.5 | Very low | 125 Ų | 125 | 139.6 Ų | 139.6 | 65% | 0.654 | 74% | 0.744 | S | S | * | * | trans | -126.2 | 56.8 | -170.6 | -62.3 | 179.3 | 0 | 0 | 0 | 111.9 | H121 I125 | H121-L123 PolarHBondContact O-N 3.04Å; L123-I125 HydrophobicContact CD2-CD1 4.3Å; L123-I125 HydrophobicContact CD2-CG1 4.22Å; L123-I125 PolarHBondContact O-N 2.86Å | ||
| 124 | V | 53.7 | Low | 48.8 | Very low | 144 Ų | 144 | 132.6 Ų | 132.6 | 87% | 0.873 | 73% | 0.728 | S | S | * | * | trans | -84.8 | 78.6 | 142.9 | -176.9 | 0 | 0 | 0 | 0 | 106.6 | G126 | V124-G126 PolarHBondContact O-N 3.17Š| ||
| 125 | I | 52.3 | Low | 49.5 | Very low | 151 Ų | 151 | 134 Ų | 134 | 77% | 0.774 | 73% | 0.729 | S | S | * | * | trans | -61.9 | 115 | 161.6 | -64.4 | 166.1 | 0 | 0 | 0 | 105.5 | L123 | L123-I125 HydrophobicContact CD2-CD1 4.3Å; L123-I125 HydrophobicContact CD2-CG1 4.22Å; L123-I125 PolarHBondContact O-N 2.86Å | ||
| 126 | G | 50.8 | Low | 50.1 | Low | 50 Ų | 50 | 128.9 Ų | 128.9 | 52% | 0.515 | 72% | 0.72 | S | S | . | * | trans | 168.2 | 46.8 | -169.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | V124 L128 | V124-G126 PolarHBondContact O-N 3.17Å; G126-L128 PolarHBondContact O-N 3.04Å | ||
| 127 | S | 54.6 | Low | 50.7 | Low | 127 Ų | 127 | 127.6 Ų | 127.6 | 89% | 0.888 | 72% | 0.721 | S | S | * | * | trans | -64.4 | 79 | 155.8 | -57.7 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 128 | L | 47.9 | Very low | 51.6 | Low | 123 Ų | 123 | 126.7 Ų | 126.7 | 64% | 0.644 | 71% | 0.712 | S | S | * | * | trans | -52.6 | 130.4 | 164.9 | -75.7 | 170.5 | 0 | 0 | 0 | 106.6 | G126 A130 | G126-L128 PolarHBondContact O-N 3.04Å; L128-A130 PolarHBondContact O-N 3.3Å | ||
| 129 | P | 51.8 | Low | 52.4 | Low | 77 Ų | 77 | 121.2 Ų | 121.2 | 50% | 0.5 | 69% | 0.69 | S | S | . | * | trans | -51.2 | 140.7 | 179 | -26.9 | 34.2 | 0 | 0 | 0 | 109.9 | H131 L132 | P129-H131 PolarHBondContact O-N 3.35Å; P129-L132 PolarHBondContact O-N 2.77Å; P129-L132 VanDerWaalsContact O-N 3.1Å | ||
| 130 | A | 51.6 | Low | 54.2 | Low | 99 Ų | 99 | 118.9 Ų | 118.9 | 82% | 0.818 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.9 | 17.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | L128 | L128-A130 PolarHBondContact O-N 3.3Š|
| 131 | H | 52.8 | Low | 56.3 | Low | 168 Ų | 168 | 120.9 Ų | 120.9 | 78% | 0.778 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.8 | -5.4 | 176.7 | -60.5 | -72.4 | 0 | 0 | 0 | 113.2 | P129 | P129-H131 PolarHBondContact O-N 3.35Š|
| 132 | L | 51.5 | Low | 58.2 | Low | 127 Ų | 127 | 112.9 Ų | 112.9 | 67% | 0.665 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -118.4 | 7.8 | -178.1 | -66.8 | 177.2 | 0 | 0 | 0 | 115.1 | P129 P134 | P129-L132 PolarHBondContact O-N 2.77Å; P129-L132 VanDerWaalsContact O-N 3.1Å; L132-P134 WeakPolarHBondContact O-CD 3.21Å |
| 133 | S | 46.8 | Very low | 59.6 | Low | 66 Ų | 66 | 106.1 Ų | 106.1 | 46% | 0.462 | 61% | 0.613 | S | S | . | * | trans | -120.1 | 77.3 | 168.3 | -68.3 | 0 | 0 | 0 | 0 | 111.6 | H135 | S133-H135 PolarHBondContact O-N 2.85Å; S133-H135 VanDerWaalsContact O-N 3.08Å | ||
| 134 | P | 53.3 | Low | 60.9 | Low | 80 Ų | 80 | 101 Ų | 101 | 52% | 0.519 | 59% | 0.587 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -62.2 | -12.2 | 171.1 | -18.4 | 31.8 | 0 | 0 | 0 | 113.4 | L132 G138 | L132-P134 WeakPolarHBondContact O-CD 3.21Å; P134-G138 WeakPolarHBondContact O-CA 2.84Å |
| 135 | H | 52.3 | Low | 62.4 | Low | 163 Ų | 163 | 95 Ų | 95 | 76% | 0.755 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.1 | -1.1 | -164.2 | -54.5 | -61.1 | 0 | 0 | 0 | 115.4 | S133 | S133-H135 PolarHBondContact O-N 2.85Å; S133-H135 VanDerWaalsContact O-N 3.08Å |
| 136 | L | 53.8 | Low | 63.9 | Low | 143 Ų | 143 | 90 Ų | 90 | 75% | 0.749 | 53% | 0.53 | S | S | * | . | S | Bend | trans | -98.1 | -12.8 | 176.3 | -99.9 | 70.6 | 0 | 0 | 0 | 114.6 | ||
| 137 | F | 51.8 | Low | 65.5 | Low | 204 Ų | 204 | 93.3 Ų | 93.3 | 90% | 0.895 | 53% | 0.53 | S | S | * | . | S | Bend | trans | -134.2 | 61.8 | 165.1 | -75.5 | -82.8 | 0 | 0 | 0 | 107.6 | G139 | F137-G139 PolarHBondContact O-N 2.9Š|
| 138 | G | 58 | Low | 67.1 | Low | 55 Ų | 55 | 94.7 Ų | 94.7 | 57% | 0.567 | 52% | 0.517 | S | S | * | . | trans | -61.5 | 80.8 | -159.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | P134 | P134-G138 WeakPolarHBondContact O-CA 2.84Š| ||
| 139 | G | 68.6 | Low | 68.9 | Low | 30 Ų | 30 | 89 Ų | 89 | 31% | 0.309 | 49% | 0.487 | S | S | . | . | trans | -119.6 | 116.7 | 166.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | F137 L149 | F137-G139 PolarHBondContact O-N 2.9Å; G139-L149 CarbonylContact C-O 3.55Å; G139-L149 VanDerWaalsContact CA-O 3.28Å; G139-L149 WeakPolarHBondContact CA-O 3.31Å | ||
| 140 | F | 83 | Confident | 70.7 | Confident | 82 Ų | 82 | 87.6 Ų | 87.6 | 36% | 0.36 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 132.3 | 171.3 | 175.4 | -87.7 | 0 | 0 | 0 | 109.5 | Y148 L149 M154 L158 | F140-Y148 CarbonylContact O-C 3.52Å; F140-Y148 WeakPolarHBondContact O-CA 3.43Å; F140-L149 HydrophobicContact CD1-CD1 3.91Å; F140-L149 HydrophobicContact CE1-CD1 4.5Å; F140-L149 PolarHBondContact N-O 3.47Å; F140-L149 PolarHBondContact O-N 2.83Å; F140-M154 HydrophobicContact CB-CG 4.18Å; F140-M154 HydrophobicContact CB-SD 3.79Å; F140-M154 HydrophobicContact CD1-CG 3.83Å; F140-M154 HydrophobicContact CD1-SD 4.05Å; F140-M154 HydrophobicContact CD2-CG 4.47Å; F140-M154 HydrophobicContact CD2-SD 3.61Å; F140-M154 HydrophobicContact CE1-CG 4.29Å; F140-M154 HydrophobicContact CE2-SD 4.16Å; F140-M154 HydrophobicContact CG-CG 3.92Å; F140-M154 HydrophobicContact CG-SD 3.54Å; F140-M154 VanDerWaalsContact CG-SD 3.54Å; F140-L158 HydrophobicContact CE1-CD1 4.11Å; F140-L158 HydrophobicContact CE1-CD2 3.92Å; F140-L158 HydrophobicContact CE1-CG 4.22Å; F140-L158 HydrophobicContact CZ-CD1 4.23Å; F140-L158 HydrophobicContact CZ-CD2 4.35Å |
| 141 | K | 87.8 | Confident | 72.2 | Confident | 112 Ų | 112 | 87.2 Ų | 87.2 | 49% | 0.487 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 116.5 | 177.7 | -169.4 | 177.5 | -179.8 | -179.8 | 0 | 110.5 | S146 Y148 | K141-S146 WeakPolarHBondContact CE-O 3.27Å; K141-S146 WeakPolarHBondContact CG-O 3.49Å; K141-Y148 HydrophobicContact CB-CD1 4.24Å; K141-Y148 HydrophobicContact CB-CE1 4.05Å; K141-Y148 HydrophobicContact CD-CE1 4.46Å; K141-Y148 HydrophobicContact CD-CE2 4.35Å; K141-Y148 HydrophobicContact CG-CE1 4.41Å |
| 142 | C | 86.8 | Confident | 73.8 | Confident | 2 Ų | 2 | 86.7 Ų | 86.7 | 1% | 0.014 | 47% | 0.474 | C | S | . | . | P | Polyproline II helix | trans | -60.7 | 125.4 | 178.8 | -176.1 | 0 | 0 | 0 | 0 | 111.7 | V144 C145 S146 K147 L149 H157 | C142-V144 PolarHBondContact O-N 2.9Å; C142-V144 PolarHBondContact SG-N 2.53Å; C142-C145 VanDerWaalsContact SG-SG 3.61Å; C142-S146 WeakPolarHBondContact O-CA 3.37Å; C142-S146 PolarHBondContact O-N 3.38Å; C142-K147 WeakPolarHBondContact CB-O 3.45Å; C142-K147 PolarHBondContact N-O 3.05Å; C142-L149 HydrophobicContact CB-CD1 4.22Å; C142-H157 WeakPolarHBondContact CB-NE2 3.12Å; C142-H157 VanDerWaalsContact SG-CD2 3.58Å; C142-H157 PolarHBondContact SG-NE2 3.3Å |
| 143 | P | 85.7 | Confident | 75.6 | Confident | 101 Ų | 101 | 84.3 Ų | 84.3 | 66% | 0.656 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -6.9 | 179.1 | 30.4 | -36 | 0 | 0 | 0 | 113.6 | L158 | P143-L158 HydrophobicContact CG-CD2 4.45Š|
| 144 | V | 85.1 | Confident | 77.7 | Confident | 16 Ų | 16 | 83.3 Ų | 83.3 | 10% | 0.097 | 45% | 0.448 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | -41.3 | -176.3 | 173.4 | 0 | 0 | 0 | 0 | 113.2 | C142 C161 L162 | C142-V144 PolarHBondContact O-N 2.9Å; C142-V144 PolarHBondContact SG-N 2.53Å; V144-C161 HydrophobicContact CB-CB 3.93Å; V144-C161 HydrophobicContact CG1-CB 3.86Å; V144-C161 HydrophobicContact CG2-CB 4.37Å; V144-L162 HydrophobicContact CG2-CD2 3.53Å; V144-L162 HydrophobicContact CG2-CG 4.07Å |
| 145 | C | 84.3 | Confident | 79.5 | Confident | 19 Ų | 19 | 84.8 Ų | 84.8 | 13% | 0.128 | 45% | 0.451 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -130.1 | 6.1 | -173.6 | 65.6 | 0 | 0 | 0 | 0 | 113.2 | C142 K147 H157 V214 | C142-C145 VanDerWaalsContact SG-SG 3.61Å; C145-K147 PolarHBondContact O-N 3.11Å; C145-H157 PolarHBondContact SG-NE2 3.49Å; C145-V214 CarbonylContact C-O 3.57Å; C145-V214 WeakPolarHBondContact CA-O 3.44Å |
| 146 | S | 84.3 | Confident | 81.4 | Confident | 47 Ų | 47 | 83.2 Ų | 83.2 | 33% | 0.329 | 45% | 0.448 | S | S | . | . | trans | 61.5 | 1.5 | -179.9 | 81.8 | 0 | 0 | 0 | 0 | 117.1 | K141 C142 | K141-S146 WeakPolarHBondContact CE-O 3.27Å; K141-S146 WeakPolarHBondContact CG-O 3.49Å; C142-S146 WeakPolarHBondContact O-CA 3.37Å; C142-S146 PolarHBondContact O-N 3.38Å | ||
| 147 | K | 82.9 | Confident | 83.2 | Confident | 119 Ų | 119 | 77.5 Ų | 77.5 | 52% | 0.517 | 42% | 0.417 | S | S | . | . | trans | -64.5 | 140 | 177.8 | -168.1 | 178 | 180 | -175.4 | 0 | 111.5 | C142 C145 L149 | C142-K147 WeakPolarHBondContact CB-O 3.45Å; C142-K147 PolarHBondContact N-O 3.05Å; C145-K147 PolarHBondContact O-N 3.11Å; K147-L149 HydrophobicContact CB-CD2 4.41Å; K147-L149 HydrophobicContact CD-CD2 4.34Å; K147-L149 HydrophobicContact CG-CD2 4.22Å | ||
| 148 | Y | 89.4 | Confident | 85 | Confident | 155 Ų | 155 | 69.4 Ų | 69.4 | 61% | 0.608 | 38% | 0.383 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 138.6 | 170.2 | -73.6 | -89.2 | 0 | 0 | 0 | 110.9 | F140 K141 | F140-Y148 CarbonylContact O-C 3.52Å; F140-Y148 WeakPolarHBondContact O-CA 3.43Å; K141-Y148 HydrophobicContact CB-CD1 4.24Å; K141-Y148 HydrophobicContact CB-CE1 4.05Å; K141-Y148 HydrophobicContact CD-CE1 4.46Å; K141-Y148 HydrophobicContact CD-CE2 4.35Å; K141-Y148 HydrophobicContact CG-CE1 4.41Å |
| 149 | L | 86.3 | Confident | 86.6 | Confident | 3 Ų | 3 | 71.2 Ų | 71.2 | 2% | 0.016 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 141.9 | -172 | -45.6 | 175.6 | 0 | 0 | 0 | 110.1 | G139 F140 C142 K147 E153 H157 | G139-L149 CarbonylContact C-O 3.55Å; G139-L149 VanDerWaalsContact CA-O 3.28Å; G139-L149 WeakPolarHBondContact CA-O 3.31Å; F140-L149 HydrophobicContact CD1-CD1 3.91Å; F140-L149 HydrophobicContact CE1-CD1 4.5Å; F140-L149 PolarHBondContact N-O 3.47Å; F140-L149 PolarHBondContact O-N 2.83Å; C142-L149 HydrophobicContact CB-CD1 4.22Å; K147-L149 HydrophobicContact CB-CD2 4.41Å; K147-L149 HydrophobicContact CD-CD2 4.34Å; K147-L149 HydrophobicContact CG-CD2 4.22Å; L149-E153 HydrophobicContact CB-CG 3.93Å; L149-H157 HydrophobicContact CD1-CB 3.79Å; L149-H157 WeakPolarHBondContact CD1-CD2 3.28Å; L149-H157 HydrophobicContact CD2-CB 3.99Å; L149-H157 WeakPolarHBondContact CD2-ND1 3.14Å |
| 150 | S | 88.4 | Confident | 87.6 | Confident | 48 Ų | 48 | 73.8 Ų | 73.8 | 34% | 0.336 | 39% | 0.389 | S | S | . | . | trans | -65.5 | 160.6 | 163.7 | 62.1 | 0 | 0 | 0 | 0 | 111.5 | D152 E153 M154 | S150-D152 PolarHBondContact O-N 3.08Å; S150-E153 WeakPolarHBondContact CB-OE1 3.45Å; S150-E153 PolarHBondContact N-OE1 3.15Å; S150-E153 PolarHBondContact O-N 3.34Å; S150-E153 VanDerWaalsContact OG-CD 3.31Å; S150-E153 WeakPolarHBondContact OG-CG 3.38Å; S150-E153 PolarHBondContact OG-OE1 3.36Å; S150-M154 PolarHBondContact O-N 3.39Å | ||
| 151 | S | 83.4 | Confident | 87.8 | Confident | 91 Ų | 91 | 70.8 Ų | 70.8 | 64% | 0.636 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -26.8 | 179.9 | -160.6 | 0 | 0 | 0 | 0 | 113 | ||
| 152 | D | 87.1 | Confident | 87.8 | Confident | 158 Ų | 158 | 71.3 Ų | 71.3 | 85% | 0.845 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -24.9 | -175.1 | -51.9 | -37.2 | 0 | 0 | 0 | 112.5 | S150 | S150-D152 PolarHBondContact O-N 3.08Š|
| 153 | E | 89.6 | Confident | 87.8 | Confident | 76 Ų | 76 | 75.8 Ų | 75.8 | 36% | 0.355 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | -7.6 | 177.9 | 83.6 | -164.3 | 114.4 | 0 | 0 | 113.5 | L149 S150 D155 L156 H157 | L149-E153 HydrophobicContact CB-CG 3.93Å; S150-E153 WeakPolarHBondContact CB-OE1 3.45Å; S150-E153 PolarHBondContact N-OE1 3.15Å; S150-E153 PolarHBondContact O-N 3.34Å; S150-E153 VanDerWaalsContact OG-CD 3.31Å; S150-E153 WeakPolarHBondContact OG-CG 3.38Å; S150-E153 PolarHBondContact OG-OE1 3.36Å; E153-D155 PolarHBondContact O-N 3.13Å; E153-L156 PolarHBondContact O-N 2.89Å; E153-H157 VanDerWaalsContact O-CB 3.3Å; E153-H157 WeakPolarHBondContact O-CB 3.46Å; E153-H157 PolarHBondContact O-N 3.29Å |
| 154 | M | 89.9 | Confident | 87.7 | Confident | 45 Ų | 45 | 74.2 Ų | 74.2 | 22% | 0.222 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -53.1 | -55.7 | -174 | 178.5 | 179.6 | 66.3 | 0 | 0 | 112.7 | F140 S150 H157 L158 | F140-M154 HydrophobicContact CB-CG 4.18Å; F140-M154 HydrophobicContact CB-SD 3.79Å; F140-M154 HydrophobicContact CD1-CG 3.83Å; F140-M154 HydrophobicContact CD1-SD 4.05Å; F140-M154 HydrophobicContact CD2-CG 4.47Å; F140-M154 HydrophobicContact CD2-SD 3.61Å; F140-M154 HydrophobicContact CE1-CG 4.29Å; F140-M154 HydrophobicContact CE2-SD 4.16Å; F140-M154 HydrophobicContact CG-CG 3.92Å; F140-M154 HydrophobicContact CG-SD 3.54Å; F140-M154 VanDerWaalsContact CG-SD 3.54Å; S150-M154 PolarHBondContact O-N 3.39Å; M154-H157 PolarHBondContact O-N 3.41Å; M154-L158 HydrophobicContact CG-CD1 3.95Å; M154-L158 HydrophobicContact CG-CG 4.5Å; M154-L158 WeakPolarHBondContact O-CB 3.27Å; M154-L158 VanDerWaalsContact O-CG 3.29Å; M154-L158 WeakPolarHBondContact O-CG 3.24Å; M154-L158 PolarHBondContact O-N 2.85Å |
| 155 | D | 91.1 | Very high | 87.4 | Confident | 111 Ų | 111 | 78.6 Ų | 78.6 | 59% | 0.594 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -66.8 | -42.1 | -175.7 | -67.5 | -31.4 | 0 | 0 | 0 | 111.9 | E153 H157 L158 V159 | E153-D155 PolarHBondContact O-N 3.13Å; D155-H157 PolarHBondContact O-N 3.18Å; D155-L158 PolarHBondContact O-N 3.46Å; D155-V159 WeakPolarHBondContact O-CG2 3.3Å; D155-V159 PolarHBondContact O-N 2.89Å |
| 156 | L | 91.9 | Very high | 87.2 | Confident | 130 Ų | 130 | 86.3 Ų | 86.3 | 68% | 0.681 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -60.4 | -46.2 | 177.1 | 177 | 61.2 | 0 | 0 | 0 | 111.3 | E153 L160 | E153-L156 PolarHBondContact O-N 2.89Å; L156-L160 WeakPolarHBondContact O-CB 3.45Å; L156-L160 PolarHBondContact O-N 3.22Å |
| 157 | H | 91 | Very high | 87.2 | Confident | 24 Ų | 24 | 86.3 Ų | 86.3 | 11% | 0.111 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -70.2 | -36.6 | 177.9 | 176.9 | 99.2 | 0 | 0 | 0 | 112.4 | C142 C145 L149 E153 M154 D155 L160 C161 | C142-H157 WeakPolarHBondContact CB-NE2 3.12Å; C142-H157 VanDerWaalsContact SG-CD2 3.58Å; C142-H157 PolarHBondContact SG-NE2 3.3Å; C145-H157 PolarHBondContact SG-NE2 3.49Å; L149-H157 HydrophobicContact CD1-CB 3.79Å; L149-H157 WeakPolarHBondContact CD1-CD2 3.28Å; L149-H157 HydrophobicContact CD2-CB 3.99Å; L149-H157 WeakPolarHBondContact CD2-ND1 3.14Å; E153-H157 VanDerWaalsContact O-CB 3.3Å; E153-H157 WeakPolarHBondContact O-CB 3.46Å; E153-H157 PolarHBondContact O-N 3.29Å; M154-H157 PolarHBondContact O-N 3.41Å; D155-H157 PolarHBondContact O-N 3.18Å; H157-L160 PolarHBondContact O-N 3Å; H157-C161 PolarHBondContact CE1-SG 3.26Å; H157-C161 PolarHBondContact NE2-SG 2.92Å; H157-C161 VanDerWaalsContact O-CB 3.3Å; H157-C161 WeakPolarHBondContact O-CB 3.27Å; H157-C161 PolarHBondContact O-N 3.21Å |
| 158 | L | 90.1 | Very high | 87.4 | Confident | 33 Ų | 33 | 85.7 Ų | 85.7 | 17% | 0.173 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -62.3 | -45.7 | 174.7 | -80.7 | 174.9 | 0 | 0 | 0 | 111.1 | F140 P143 M154 D155 L162 | F140-L158 HydrophobicContact CE1-CD1 4.11Å; F140-L158 HydrophobicContact CE1-CD2 3.92Å; F140-L158 HydrophobicContact CE1-CG 4.22Å; F140-L158 HydrophobicContact CZ-CD1 4.23Å; F140-L158 HydrophobicContact CZ-CD2 4.35Å; P143-L158 HydrophobicContact CG-CD2 4.45Å; M154-L158 HydrophobicContact CG-CD1 3.95Å; M154-L158 HydrophobicContact CG-CG 4.5Å; M154-L158 WeakPolarHBondContact O-CB 3.27Å; M154-L158 VanDerWaalsContact O-CG 3.29Å; M154-L158 WeakPolarHBondContact O-CG 3.24Å; M154-L158 PolarHBondContact O-N 2.85Å; D155-L158 PolarHBondContact O-N 3.46Å; L158-L162 WeakPolarHBondContact O-CB 3.48Å; L158-L162 WeakPolarHBondContact O-CD1 3.42Å; L158-L162 VanDerWaalsContact O-CG 3.24Å; L158-L162 WeakPolarHBondContact O-CG 3.47Å; L158-L162 PolarHBondContact O-N 3.25Å |
| 159 | V | 92 | Very high | 87.6 | Confident | 93 Ų | 93 | 80.5 Ų | 80.5 | 56% | 0.564 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -57.8 | -54.4 | 172 | 171.7 | 0 | 0 | 0 | 0 | 109.9 | D155 C161 L162 T163 | D155-V159 WeakPolarHBondContact O-CG2 3.3Å; D155-V159 PolarHBondContact O-N 2.89Å; V159-C161 PolarHBondContact O-N 3.37Å; V159-L162 PolarHBondContact O-N 3.39Å; V159-T163 HydrophobicContact CG1-CG2 4.28Å; V159-T163 VanDerWaalsContact O-CB 3.32Å; V159-T163 WeakPolarHBondContact O-CB 3.33Å; V159-T163 VanDerWaalsContact O-CG2 3.31Å; V159-T163 WeakPolarHBondContact O-CG2 3.4Å; V159-T163 PolarHBondContact O-N 3.38Å; V159-T163 PolarHBondContact O-OG1 3.14Å |
| 160 | L | 88.7 | Confident | 87.9 | Confident | 85 Ų | 85 | 85.5 Ų | 85.5 | 45% | 0.445 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -56.2 | -47.6 | -178.9 | -176.7 | 59.5 | 0 | 0 | 0 | 112.4 | L156 H157 T163 K164 | L156-L160 WeakPolarHBondContact O-CB 3.45Å; L156-L160 PolarHBondContact O-N 3.22Å; H157-L160 PolarHBondContact O-N 3Å; L160-T163 PolarHBondContact O-OG1 3.37Å; L160-K164 WeakPolarHBondContact O-CB 3.3Å; L160-K164 PolarHBondContact O-N 3.31Å |
| 161 | C | 87.4 | Confident | 88 | Confident | 18 Ų | 18 | 89.2 Ų | 89.2 | 12% | 0.122 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -73.2 | -35.1 | -178.8 | -81.9 | 0 | 0 | 0 | 0 | 114.2 | V144 H157 V159 | V144-C161 HydrophobicContact CB-CB 3.93Å; V144-C161 HydrophobicContact CG1-CB 3.86Å; V144-C161 HydrophobicContact CG2-CB 4.37Å; H157-C161 PolarHBondContact CE1-SG 3.26Å; H157-C161 PolarHBondContact NE2-SG 2.92Å; H157-C161 VanDerWaalsContact O-CB 3.3Å; H157-C161 WeakPolarHBondContact O-CB 3.27Å; H157-C161 PolarHBondContact O-N 3.21Å; V159-C161 PolarHBondContact O-N 3.37Å |
| 162 | L | 87.6 | Confident | 88.4 | Confident | 123 Ų | 123 | 87.8 Ų | 87.8 | 64% | 0.644 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -75.6 | -30.4 | 177 | -70.5 | 167.7 | 0 | 0 | 0 | 112.2 | V144 L158 V159 | V144-L162 HydrophobicContact CG2-CD2 3.53Å; V144-L162 HydrophobicContact CG2-CG 4.07Å; L158-L162 WeakPolarHBondContact O-CB 3.48Å; L158-L162 WeakPolarHBondContact O-CD1 3.42Å; L158-L162 VanDerWaalsContact O-CG 3.24Å; L158-L162 WeakPolarHBondContact O-CG 3.47Å; L158-L162 PolarHBondContact O-N 3.25Å; V159-L162 PolarHBondContact O-N 3.39Å |
| 163 | T | 88.4 | Confident | 88.6 | Confident | 97 Ų | 97 | 85 Ų | 85 | 60% | 0.595 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -85.3 | -18.5 | 176.1 | 58 | 0 | 0 | 0 | 0 | 113.8 | V159 L160 P165 | V159-T163 HydrophobicContact CG1-CG2 4.28Å; V159-T163 VanDerWaalsContact O-CB 3.32Å; V159-T163 WeakPolarHBondContact O-CB 3.33Å; V159-T163 VanDerWaalsContact O-CG2 3.31Å; V159-T163 WeakPolarHBondContact O-CG2 3.4Å; V159-T163 PolarHBondContact O-N 3.38Å; V159-T163 PolarHBondContact O-OG1 3.14Å; L160-T163 PolarHBondContact O-OG1 3.37Å; T163-P165 WeakPolarHBondContact O-CD 3.41Å |
| 164 | K | 82.8 | Confident | 88.6 | Confident | 68 Ų | 68 | 81.6 Ų | 81.6 | 30% | 0.296 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -62.6 | 119.7 | 176.7 | -152 | 168.3 | -171.1 | 98.6 | 0 | 109.3 | L160 R166 A223 D224 | L160-K164 WeakPolarHBondContact O-CB 3.3Å; L160-K164 PolarHBondContact O-N 3.31Å; K164-R166 PolarHBondContact O-N 2.82Å; K164-A223 VanDerWaalsContact CE-O 3.28Å; K164-A223 WeakPolarHBondContact CE-O 3.39Å; K164-A223 PolarHBondContact NZ-O 3.46Å; K164-D224 PolarHBondContact NZ-O 3.15Å; K164-D224 PolarHBondContact NZ-OXT 2.82Å |
| 165 | P | 80 | Confident | 88.5 | Confident | 108 Ų | 108 | 83.9 Ų | 83.9 | 70% | 0.701 | 45% | 0.45 | S | S | * | . | P | Polyproline II helix | trans | -61.7 | 136.2 | -178.8 | 25.2 | -33.7 | 0 | 0 | 0 | 109.8 | T163 V167 | T163-P165 WeakPolarHBondContact O-CD 3.41Å; P165-V167 PolarHBondContact O-N 2.78Å |
| 166 | R | 78.9 | Confident | 88.4 | Confident | 181 Ų | 181 | 85.9 Ų | 85.9 | 68% | 0.683 | 45% | 0.453 | S | S | * | . | P | Polyproline II helix | trans | -66.1 | 118.4 | 175.9 | -63 | -176.4 | 69.4 | 172.9 | 1.7 | 108.3 | K164 T168 | K164-R166 PolarHBondContact O-N 2.82Å; R166-T168 PolarHBondContact O-N 3.37Å |
| 167 | V | 85.3 | Confident | 88.2 | Confident | 47 Ų | 47 | 84.8 Ų | 84.8 | 29% | 0.285 | 45% | 0.448 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 122 | 173.9 | 179.7 | 0 | 0 | 0 | 0 | 108.6 | P165 L197 P198 F212 R216 | P165-V167 PolarHBondContact O-N 2.78Å; V167-L197 HydrophobicContact CG1-CD2 4.24Å; V167-L197 HydrophobicContact CG1-CG 4.32Å; V167-P198 HydrophobicContact CG1-CG 4.32Å; V167-F212 HydrophobicContact CB-CZ 4.05Å; V167-F212 HydrophobicContact CG1-CZ 4.01Å; V167-F212 VanDerWaalsContact O-CE2 3.3Å; V167-F212 WeakPolarHBondContact O-CE2 3.4Å; V167-R216 WeakPolarHBondContact CG2-O 3.37Å |
| 168 | T | 87 | Confident | 87.8 | Confident | 106 Ų | 106 | 85.2 Ų | 85.2 | 65% | 0.65 | 46% | 0.456 | S | S | * | . | P | Polyproline II helix | trans | -98 | 150.3 | 170.8 | 53.9 | 0 | 0 | 0 | 0 | 109.7 | R166 P198 | R166-T168 PolarHBondContact O-N 3.37Å; T168-P198 VanDerWaalsContact O-CD 3.27Å; T168-P198 WeakPolarHBondContact O-CD 3.21Å; T168-P198 WeakPolarHBondContact O-CG 3.47Å |
| 169 | Y | 92.6 | Very high | 87.8 | Confident | 45 Ų | 45 | 86.5 Ų | 86.5 | 18% | 0.176 | 48% | 0.477 | C | S | . | . | trans | -114.4 | 159.9 | 172.3 | 59 | -110.3 | 0 | 0 | 0 | 110.5 | E171 A195 R196 K205 I208 D209 F212 | Y169-E171 HydrophobicContact CD2-CG 4.13Å; Y169-E171 HydrophobicContact CE2-CG 3.61Å; Y169-A195 HydrophobicContact CD1-CB 3.98Å; Y169-A195 HydrophobicContact CD2-CB 3.56Å; Y169-A195 HydrophobicContact CE1-CB 4.33Å; Y169-A195 HydrophobicContact CE2-CB 3.96Å; Y169-A195 HydrophobicContact CG-CB 3.58Å; Y169-R196 CarbonylContact C-O 3.22Å; Y169-R196 VanDerWaalsContact CA-O 3.31Å; Y169-R196 WeakPolarHBondContact CA-O 3.33Å; Y169-R196 WeakPolarHBondContact CB-O 3.44Å; Y169-K205 HydrophobicContact CE2-CG 4.43Å; Y169-K205 PolarHBondContact OH-NZ 3.48Å; Y169-I208 HydrophobicContact CD1-CG1 4.41Å; Y169-I208 HydrophobicContact CD1-CG2 3.76Å; Y169-I208 HydrophobicContact CE1-CG2 3.57Å; Y169-D209 WeakPolarHBondContact CE1-OD1 3.38Å; Y169-D209 VanDerWaalsContact OH-CG 3.31Å; Y169-D209 PolarHBondContact OH-OD1 3.45Å; Y169-D209 PolarHBondContact OH-OD2 3.29Å; Y169-F212 HydrophobicContact CD1-CD2 4.43Å; Y169-F212 AromaticContact CD1-CE2 3.92Å; Y169-F212 HydrophobicContact CD1-CE2 3.92Å; Y169-F212 HydrophobicContact CE1-CE2 4.45Å | ||
| 170 | N | 92.9 | Very high | 87.9 | Confident | 109 Ų | 109 | 88.4 Ų | 88.4 | 58% | 0.583 | 48% | 0.48 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91 | 134.4 | 164.6 | -65.4 | -39.9 | 0 | 0 | 0 | 109.2 | A195 R196 | N170-A195 WeakPolarHBondContact O-CA 3.24Å; N170-R196 PolarHBondContact N-O 3.4Å; N170-R196 PolarHBondContact O-N 3.19Å |
| 171 | E | 91.3 | Very high | 88.2 | Confident | 125 Ų | 125 | 84.3 Ų | 84.3 | 58% | 0.584 | 46% | 0.458 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 113.2 | 169 | -68.8 | -178 | -176.2 | 0 | 0 | 108.9 | Y169 K205 | Y169-E171 HydrophobicContact CD2-CG 4.13Å; Y169-E171 HydrophobicContact CE2-CG 3.61Å; E171-K205 WeakPolarHBondContact OE1-CE 3.35Å; E171-K205 IonicContact OE1-NZ 3.83Å |
| 172 | D | 90.3 | Very high | 88.4 | Confident | 61 Ų | 61 | 85.7 Ų | 85.7 | 33% | 0.326 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 155.4 | 178.8 | -76 | -38.2 | 0 | 0 | 0 | 109.5 | I194 R196 | D172-I194 HydrophobicContact CB-CD1 3.75Å; D172-I194 HydrophobicContact CB-CG1 3.73Å; D172-I194 PolarHBondContact N-O 3.49Å; D172-I194 WeakPolarHBondContact O-CG1 3.42Å; D172-I194 PolarHBondContact O-N 2.89Å; D172-R196 IonicContact OD2-NE 3.05Å; D172-R196 PolarHBondContact OD2-NE 3.04Å |
| 173 | V | 92.7 | Very high | 88.7 | Confident | 99 Ų | 99 | 82.5 Ų | 82.5 | 60% | 0.6 | 45% | 0.454 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 126.5 | 162.8 | 178.2 | 0 | 0 | 0 | 0 | 108 | P175 | V173-P175 WeakPolarHBondContact O-CD 3.47Å |
| 174 | L | 89.6 | Confident | 89 | Confident | 5 Ų | 5 | 80 Ų | 80 | 3% | 0.026 | 44% | 0.44 | C | S | . | . | trans | -68.7 | 122.1 | -172.3 | -166.5 | 76.1 | 0 | 0 | 0 | 111.5 | K176 A178 L188 Q189 Q190 G191 N192 I194 | L174-K176 WeakPolarHBondContact CD2-O 3.16Å; L174-K176 WeakPolarHBondContact CG-O 3.49Å; L174-A178 HydrophobicContact CD1-CB 3.73Å; L174-A178 HydrophobicContact CD2-CB 3.78Å; L174-A178 HydrophobicContact CG-CB 4.25Å; L174-L188 HydrophobicContact CD2-CB 4.03Å; L174-L188 VanDerWaalsContact CD2-O 3.24Å; L174-L188 WeakPolarHBondContact CD2-O 3.29Å; L174-Q189 WeakPolarHBondContact CD2-O 3.29Å; L174-Q190 WeakPolarHBondContact O-CA 3.41Å; L174-G191 PolarHBondContact O-N 3.21Å; L174-N192 PolarHBondContact N-O 3.49Å; L174-I194 HydrophobicContact CB-CD1 4.46Å; L174-I194 HydrophobicContact CB-CG1 4.33Å; L174-I194 HydrophobicContact CB-CG2 4.11Å; L174-I194 HydrophobicContact CD1-CD1 3.67Å; L174-I194 HydrophobicContact CD1-CG1 4.39Å; L174-I194 HydrophobicContact CD1-CG2 4.39Å | ||
| 175 | P | 86.3 | Confident | 89.6 | Confident | 94 Ų | 94 | 82.8 Ų | 82.8 | 61% | 0.61 | 46% | 0.458 | S | S | * | . | S | Bend | trans | -83.4 | -11.8 | -172.2 | 32.8 | -36.6 | 0 | 0 | 0 | 114.5 | V173 Q190 | V173-P175 WeakPolarHBondContact O-CD 3.47Å; P175-Q190 PolarHBondContact O-NE2 3.37Å |
| 176 | K | 89 | Confident | 90.3 | Very high | 152 Ų | 152 | 83.4 Ų | 83.4 | 66% | 0.661 | 45% | 0.451 | S | S | * | . | S | Bend | trans | -162.1 | 155.7 | 177.2 | 61.6 | 171.6 | -173.2 | 169.8 | 0 | 108.4 | L174 A178 | L174-K176 WeakPolarHBondContact CD2-O 3.16Å; L174-K176 WeakPolarHBondContact CG-O 3.49Å; K176-A178 PolarHBondContact O-N 2.82Å |
| 177 | D | 88.1 | Confident | 91 | Very high | 107 Ų | 107 | 81.5 Ų | 81.5 | 57% | 0.572 | 45% | 0.45 | S | S | * | . | trans | -55 | 138.5 | 177.9 | -43.9 | -42.9 | 0 | 0 | 0 | 111.6 | L188 Q189 Q190 | D177-L188 CarbonylContact C-O 3.58Å; D177-L188 VanDerWaalsContact CA-O 3.3Å; D177-L188 WeakPolarHBondContact CA-O 3.22Å; D177-Q189 WeakPolarHBondContact OD1-CA 3.28Å; D177-Q190 PolarHBondContact OD1-N 3.36Å | ||
| 178 | A | 82.7 | Confident | 91.4 | Very high | 34 Ų | 34 | 79.3 Ų | 79.3 | 28% | 0.281 | 44% | 0.437 | S | S | . | . | trans | -140.6 | 61 | -167.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | L174 K176 L188 | L174-A178 HydrophobicContact CD1-CB 3.73Å; L174-A178 HydrophobicContact CD2-CB 3.78Å; L174-A178 HydrophobicContact CG-CB 4.25Å; K176-A178 PolarHBondContact O-N 2.82Å; A178-L188 PolarHBondContact N-O 3.33Å | ||
| 179 | G | 89.9 | Confident | 91.7 | Very high | 59 Ų | 59 | 79 Ų | 79 | 61% | 0.608 | 43% | 0.428 | S | S | * | . | S | Bend | trans | 68.4 | -144.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | E187 L188 | G179-E187 WeakPolarHBondContact O-CA 3.47Å; G179-L188 PolarHBondContact O-N 3.4Å |
| 180 | E | 93.8 | Very high | 91.7 | Very high | 133 Ų | 133 | 83.1 Ų | 83.1 | 62% | 0.621 | 45% | 0.448 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 148.6 | -177.7 | 66 | -165.1 | -179.7 | 0 | 0 | 111.5 | A182 E186 | E180-A182 PolarHBondContact O-N 3.03Å; E180-E186 CarbonylContact C-O 3.55Å; E180-E186 WeakPolarHBondContact CA-O 3.32Å |
| 181 | C | 94.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 80 Ų | 80 | 0% | 0 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 107.3 | 175 | 176.2 | 0 | 0 | 0 | 0 | 109.4 | I183 C184 L185 E186 L188 H204 | C181-I183 PolarHBondContact O-N 3.4Å; C181-C184 PolarHBondContact O-N 3.23Å; C181-C184 VanDerWaalsContact O-N 3.15Å; C181-L185 WeakPolarHBondContact O-CA 3.31Å; C181-L185 PolarHBondContact O-N 3.38Å; C181-E186 PolarHBondContact N-O 3.14Å; C181-L188 HydrophobicContact CB-CD1 4.14Å; C181-L188 HydrophobicContact CB-CD2 4.11Å; C181-L188 HydrophobicContact CB-CG 3.95Å; C181-H204 PolarHBondContact SG-N 3.38Å |
| 182 | A | 92.7 | Very high | 91.7 | Very high | 47 Ų | 47 | 76.4 Ų | 76.4 | 39% | 0.388 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -3.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | E180 Y203 | E180-A182 PolarHBondContact O-N 3.03Å; A182-Y203 HydrophobicContact CB-CE1 4.27Å |
| 183 | I | 93.6 | Very high | 91.9 | Very high | 56 Ų | 56 | 77.2 Ų | 77.2 | 29% | 0.287 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | -45.8 | 174.9 | -57.4 | 171.3 | 0 | 0 | 0 | 111.8 | C181 Y203 C207 I208 W211 P219 | C181-I183 PolarHBondContact O-N 3.4Å; I183-Y203 HydrophobicContact CD1-CD1 3.6Å; I183-Y203 HydrophobicContact CD1-CE1 4.17Å; I183-Y203 HydrophobicContact CD1-CG 3.81Å; I183-Y203 HydrophobicContact CG1-CD1 3.71Å; I183-Y203 HydrophobicContact CG1-CE1 4.05Å; I183-Y203 HydrophobicContact CG1-CG 4.43Å; I183-C207 HydrophobicContact CB-CB 3.9Å; I183-C207 HydrophobicContact CD1-CB 4Å; I183-C207 HydrophobicContact CG2-CB 3.82Å; I183-I208 HydrophobicContact CD1-CD1 4.16Å; I183-W211 HydrophobicContact CD1-CB 4.19Å; I183-P219 HydrophobicContact CD1-CG 4.2Å; I183-P219 HydrophobicContact CG1-CG 4.18Å |
| 184 | C | 94.9 | Very high | 92 | Very high | 45 Ų | 45 | 72.5 Ų | 72.5 | 30% | 0.304 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | -10.2 | 179.5 | 62.1 | 0 | 0 | 0 | 0 | 114 | C181 E186 H204 | C181-C184 PolarHBondContact O-N 3.23Å; C181-C184 VanDerWaalsContact O-N 3.15Å; C184-E186 HydrophobicContact CB-CG 4.32Å; C184-E186 PolarHBondContact O-N 2.96Å; C184-E186 PolarHBondContact SG-OE2 2.85Å; C184-H204 PolarHBondContact SG-ND1 2.93Å |
| 185 | L | 94.6 | Very high | 92.2 | Very high | 126 Ų | 126 | 72.2 Ų | 72.2 | 66% | 0.66 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.9 | 26.3 | -176.5 | -47.7 | 179.2 | 0 | 0 | 0 | 114.1 | C181 | C181-L185 WeakPolarHBondContact O-CA 3.31Å; C181-L185 PolarHBondContact O-N 3.38Å |
| 186 | E | 94.5 | Very high | 92.6 | Very high | 120 Ų | 120 | 70.8 Ų | 70.8 | 56% | 0.561 | 39% | 0.387 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 150.3 | 175.5 | -60.6 | 175.5 | 145.2 | 0 | 0 | 111.3 | E180 C181 C184 L188 | E180-E186 CarbonylContact C-O 3.55Å; E180-E186 WeakPolarHBondContact CA-O 3.32Å; C181-E186 PolarHBondContact N-O 3.14Å; C184-E186 HydrophobicContact CB-CG 4.32Å; C184-E186 PolarHBondContact O-N 2.96Å; C184-E186 PolarHBondContact SG-OE2 2.85Å; E186-L188 PolarHBondContact O-N 3.44Å |
| 187 | E | 94.2 | Very high | 92.8 | Very high | 141 Ų | 141 | 63.8 Ų | 63.8 | 66% | 0.659 | 36% | 0.357 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 130.9 | 177.5 | -66.8 | -177.8 | 164.9 | 0 | 0 | 112.2 | G179 Q189 | G179-E187 WeakPolarHBondContact O-CA 3.47Å; E187-Q189 HydrophobicContact CB-CG 4.38Å; E187-Q189 PolarHBondContact O-N 2.65Å |
| 188 | L | 94.3 | Very high | 93 | Very high | 2 Ų | 2 | 63.3 Ų | 63.3 | 1% | 0.01 | 36% | 0.359 | C | S | . | . | trans | -82.3 | 99.2 | 174.2 | -76.5 | 160.9 | 0 | 0 | 0 | 109.2 | L174 D177 A178 G179 C181 E186 I194 I202 H204 | L174-L188 HydrophobicContact CD2-CB 4.03Å; L174-L188 VanDerWaalsContact CD2-O 3.24Å; L174-L188 WeakPolarHBondContact CD2-O 3.29Å; D177-L188 CarbonylContact C-O 3.58Å; D177-L188 VanDerWaalsContact CA-O 3.3Å; D177-L188 WeakPolarHBondContact CA-O 3.22Å; A178-L188 PolarHBondContact N-O 3.33Å; G179-L188 PolarHBondContact O-N 3.4Å; C181-L188 HydrophobicContact CB-CD1 4.14Å; C181-L188 HydrophobicContact CB-CD2 4.11Å; C181-L188 HydrophobicContact CB-CG 3.95Å; E186-L188 PolarHBondContact O-N 3.44Å; L188-I194 HydrophobicContact CD2-CG2 3.72Å; L188-I202 HydrophobicContact CD1-CB 4.39Å; L188-I202 HydrophobicContact CD1-CG2 4.02Å; L188-I202 HydrophobicContact CD2-CG2 4.44Å; L188-H204 WeakPolarHBondContact CD2-NE2 3.34Å | ||
| 189 | Q | 92.7 | Very high | 93.4 | Very high | 99 Ų | 99 | 64 Ų | 64 | 46% | 0.463 | 36% | 0.362 | S | S | . | . | trans | -93.1 | 153.4 | -174.1 | -64.5 | -176.4 | -7.5 | 0 | 0 | 113.3 | L174 D177 E187 G191 N192 | L174-Q189 WeakPolarHBondContact CD2-O 3.29Å; D177-Q189 WeakPolarHBondContact OD1-CA 3.28Å; E187-Q189 HydrophobicContact CB-CG 4.38Å; E187-Q189 PolarHBondContact O-N 2.65Å; Q189-G191 PolarHBondContact O-N 2.92Å; Q189-N192 PolarHBondContact N-OD1 2.95Å; Q189-N192 VanDerWaalsContact O-CB 3.27Å; Q189-N192 WeakPolarHBondContact O-CB 3.36Å; Q189-N192 PolarHBondContact O-N 2.79Å; Q189-N192 PolarHBondContact O-OD1 2.9Å | ||
| 190 | Q | 93.5 | Very high | 93.5 | Very high | 131 Ų | 131 | 67.2 Ų | 67.2 | 61% | 0.612 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | 131.1 | 175.5 | -176.3 | 176 | 8.1 | 0 | 0 | 111.1 | L174 P175 D177 | L174-Q190 WeakPolarHBondContact O-CA 3.41Å; P175-Q190 PolarHBondContact O-NE2 3.37Å; D177-Q190 PolarHBondContact OD1-N 3.36Å |
| 191 | G | 91.4 | Very high | 93.4 | Very high | 45 Ų | 45 | 61.8 Ų | 61.8 | 46% | 0.464 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.3 | -4.5 | -177 | 0 | 0 | 0 | 0 | 0 | 114.9 | L174 Q189 | L174-G191 PolarHBondContact O-N 3.21Å; Q189-G191 PolarHBondContact O-N 2.92Å |
| 192 | N | 91.7 | Very high | 93.3 | Very high | 48 Ų | 48 | 63.7 Ų | 63.7 | 26% | 0.257 | 35% | 0.351 | S | S | . | . | trans | -68 | 144.2 | 171 | -64.6 | 168.6 | 0 | 0 | 0 | 111.5 | L174 Q189 I194 | L174-N192 PolarHBondContact N-O 3.49Å; Q189-N192 PolarHBondContact N-OD1 2.95Å; Q189-N192 VanDerWaalsContact O-CB 3.27Å; Q189-N192 WeakPolarHBondContact O-CB 3.36Å; Q189-N192 PolarHBondContact O-N 2.79Å; Q189-N192 PolarHBondContact O-OD1 2.9Å; N192-I194 HydrophobicContact CB-CG2 4.49Å; N192-I194 PolarHBondContact O-N 2.73Å | ||
| 193 | T | 94.3 | Very high | 93.5 | Very high | 78 Ų | 78 | 61.6 Ų | 61.6 | 48% | 0.479 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 107.8 | 171.4 | -49.4 | 0 | 0 | 0 | 0 | 109.4 | K205 | T193-K205 HydrophobicContact CG2-CB 4.19Å; T193-K205 HydrophobicContact CG2-CD 4.22Å; T193-K205 PolarHBondContact O-N 2.89Å |
| 194 | I | 95.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 155.7 | -177.2 | 57.2 | 148.8 | 0 | 0 | 0 | 111.3 | D172 L174 L188 N192 I202 Y203 | D172-I194 HydrophobicContact CB-CD1 3.75Å; D172-I194 HydrophobicContact CB-CG1 3.73Å; D172-I194 PolarHBondContact N-O 3.49Å; D172-I194 WeakPolarHBondContact O-CG1 3.42Å; D172-I194 PolarHBondContact O-N 2.89Å; L174-I194 HydrophobicContact CB-CD1 4.46Å; L174-I194 HydrophobicContact CB-CG1 4.33Å; L174-I194 HydrophobicContact CB-CG2 4.11Å; L174-I194 HydrophobicContact CD1-CD1 3.67Å; L174-I194 HydrophobicContact CD1-CG1 4.39Å; L174-I194 HydrophobicContact CD1-CG2 4.39Å; L188-I194 HydrophobicContact CD2-CG2 3.72Å; N192-I194 HydrophobicContact CB-CG2 4.49Å; N192-I194 PolarHBondContact O-N 2.73Å; I194-I202 HydrophobicContact CB-CG2 3.82Å; I194-I202 HydrophobicContact CD1-CG2 3.58Å; I194-I202 HydrophobicContact CG1-CG2 4.3Å; I194-I202 HydrophobicContact CG2-CG2 3.91Å; I194-Y203 CarbonylContact C-O 3.52Å; I194-Y203 VanDerWaalsContact CA-O 3.28Å; I194-Y203 WeakPolarHBondContact CA-O 3.3Å; I194-Y203 WeakPolarHBondContact CB-O 3.39Å |
| 195 | A | 94.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 122.8 | 166.7 | 0 | 0 | 0 | 0 | 0 | 109 | Y169 N170 Y203 I208 | Y169-A195 HydrophobicContact CD1-CB 3.98Å; Y169-A195 HydrophobicContact CD2-CB 3.56Å; Y169-A195 HydrophobicContact CE1-CB 4.33Å; Y169-A195 HydrophobicContact CE2-CB 3.96Å; Y169-A195 HydrophobicContact CG-CB 3.58Å; N170-A195 WeakPolarHBondContact O-CA 3.24Å; A195-Y203 PolarHBondContact N-O 3.26Å; A195-Y203 PolarHBondContact O-N 3.44Å; A195-Y203 VanDerWaalsContact O-N 3.11Å; A195-I208 HydrophobicContact CB-CB 4.36Å; A195-I208 HydrophobicContact CB-CG2 3.32Å |
| 196 | R | 94.3 | Very high | 93.6 | Very high | 64 Ų | 64 | 57.4 Ų | 57.4 | 24% | 0.242 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 116.1 | 175.5 | -176.6 | 179.9 | -58.7 | -74.8 | -6.3 | 110.1 | Y169 N170 D172 | Y169-R196 CarbonylContact C-O 3.22Å; Y169-R196 VanDerWaalsContact CA-O 3.31Å; Y169-R196 WeakPolarHBondContact CA-O 3.33Å; Y169-R196 WeakPolarHBondContact CB-O 3.44Å; N170-R196 PolarHBondContact N-O 3.4Å; N170-R196 PolarHBondContact O-N 3.19Å; D172-R196 IonicContact OD2-NE 3.05Å; D172-R196 PolarHBondContact OD2-NE 3.04Å |
| 197 | L | 93.6 | Very high | 93.6 | Very high | 4 Ų | 4 | 52.8 Ų | 52.8 | 2% | 0.021 | 30% | 0.297 | C | S | . | . | trans | -78.9 | 164.3 | 178 | -78.8 | 69.7 | 0 | 0 | 0 | 111.1 | V167 C199 L200 C201 Y203 I208 F212 C218 | V167-L197 HydrophobicContact CG1-CD2 4.24Å; V167-L197 HydrophobicContact CG1-CG 4.32Å; L197-C199 PolarHBondContact O-N 3.26Å; L197-L200 WeakPolarHBondContact O-CA 3.48Å; L197-L200 PolarHBondContact O-N 2.98Å; L197-C201 PolarHBondContact N-O 3.28Å; L197-Y203 HydrophobicContact CD1-CD2 3.65Å; L197-Y203 HydrophobicContact CD1-CE2 3.85Å; L197-Y203 HydrophobicContact CD2-CE2 4.21Å; L197-I208 HydrophobicContact CD1-CD1 4.12Å; L197-I208 HydrophobicContact CD1-CG1 4.06Å; L197-I208 HydrophobicContact CD2-CD1 4.29Å; L197-F212 HydrophobicContact CD2-CZ 4.11Å; L197-F212 HydrophobicContact CG-CZ 4.46Å; L197-C218 HydrophobicContact CD2-CB 3.68Å | ||
| 198 | P | 91.2 | Very high | 93.6 | Very high | 97 Ų | 97 | 46 Ų | 46 | 63% | 0.63 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -25.1 | 178.2 | -21.8 | 35.5 | 0 | 0 | 0 | 113.1 | V167 T168 L200 | V167-P198 HydrophobicContact CG1-CG 4.32Å; T168-P198 VanDerWaalsContact O-CD 3.27Å; T168-P198 WeakPolarHBondContact O-CD 3.21Å; T168-P198 WeakPolarHBondContact O-CG 3.47Å; P198-L200 PolarHBondContact O-N 3.42Å |
| 199 | C | 92.3 | Very high | 93.5 | Very high | 50 Ų | 50 | 48.6 Ų | 48.6 | 34% | 0.338 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | 12.6 | 170.8 | 63.1 | 0 | 0 | 0 | 0 | 113.8 | L197 C201 C218 | L197-C199 PolarHBondContact O-N 3.26Å; C199-C201 PolarHBondContact O-N 2.85Å; C199-C201 VanDerWaalsContact SG-SG 3.62Å; C199-C218 PolarHBondContact SG-SG 2.94Å |
| 200 | L | 90.8 | Very high | 93.5 | Very high | 125 Ų | 125 | 50.7 Ų | 50.7 | 65% | 0.654 | 29% | 0.289 | S | S | * | . | trans | 65.3 | -3.5 | 179.5 | -53.3 | 177.4 | 0 | 0 | 0 | 116.9 | L197 P198 | L197-L200 WeakPolarHBondContact O-CA 3.48Å; L197-L200 PolarHBondContact O-N 2.98Å; P198-L200 PolarHBondContact O-N 3.42Å | ||
| 201 | C | 92.7 | Very high | 93.4 | Very high | 20 Ų | 20 | 48.3 Ų | 48.3 | 14% | 0.135 | 28% | 0.275 | C | S | . | . | trans | -56.9 | 142.7 | 169.2 | -61.9 | 0 | 0 | 0 | 0 | 111.5 | L197 C199 Y203 H221 | L197-C201 PolarHBondContact N-O 3.28Å; C199-C201 PolarHBondContact O-N 2.85Å; C199-C201 VanDerWaalsContact SG-SG 3.62Å; C201-Y203 HydrophobicContact CB-CE2 3.58Å; C201-H221 PolarHBondContact SG-CE1 2.7Å; C201-H221 PolarHBondContact SG-ND1 3.1Å | ||
| 202 | I | 93.4 | Very high | 93.3 | Very high | 39 Ų | 39 | 47.8 Ų | 47.8 | 20% | 0.2 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 132.4 | -176 | -54.2 | 173.7 | 0 | 0 | 0 | 108.2 | L188 I194 | L188-I202 HydrophobicContact CD1-CB 4.39Å; L188-I202 HydrophobicContact CD1-CG2 4.02Å; L188-I202 HydrophobicContact CD2-CG2 4.44Å; I194-I202 HydrophobicContact CB-CG2 3.82Å; I194-I202 HydrophobicContact CD1-CG2 3.58Å; I194-I202 HydrophobicContact CG1-CG2 4.3Å; I194-I202 HydrophobicContact CG2-CG2 3.91Å |
| 203 | Y | 95.4 | Very high | 93 | Very high | 3 Ų | 3 | 53.2 Ų | 53.2 | 1% | 0.012 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 165.1 | 173 | -52.8 | -79.5 | 0 | 0 | 0 | 109.7 | A182 I183 I194 A195 L197 C201 I208 C218 P219 E220 | A182-Y203 HydrophobicContact CB-CE1 4.27Å; I183-Y203 HydrophobicContact CD1-CD1 3.6Å; I183-Y203 HydrophobicContact CD1-CE1 4.17Å; I183-Y203 HydrophobicContact CD1-CG 3.81Å; I183-Y203 HydrophobicContact CG1-CD1 3.71Å; I183-Y203 HydrophobicContact CG1-CE1 4.05Å; I183-Y203 HydrophobicContact CG1-CG 4.43Å; I194-Y203 CarbonylContact C-O 3.52Å; I194-Y203 VanDerWaalsContact CA-O 3.28Å; I194-Y203 WeakPolarHBondContact CA-O 3.3Å; I194-Y203 WeakPolarHBondContact CB-O 3.39Å; A195-Y203 PolarHBondContact N-O 3.26Å; A195-Y203 PolarHBondContact O-N 3.44Å; A195-Y203 VanDerWaalsContact O-N 3.11Å; L197-Y203 HydrophobicContact CD1-CD2 3.65Å; L197-Y203 HydrophobicContact CD1-CE2 3.85Å; L197-Y203 HydrophobicContact CD2-CE2 4.21Å; C201-Y203 HydrophobicContact CB-CE2 3.58Å; Y203-I208 HydrophobicContact CD2-CD1 3.85Å; Y203-I208 HydrophobicContact CD2-CG1 4.46Å; Y203-I208 HydrophobicContact CE2-CD1 4.21Å; Y203-I208 HydrophobicContact CG-CD1 4.43Å; Y203-C218 PolarHBondContact OH-SG 3.27Å; Y203-C218 VanDerWaalsContact OH-SG 3.38Å; Y203-P219 HydrophobicContact CE1-CG 4.15Å; Y203-P219 HydrophobicContact CE2-CG 4.48Å; Y203-P219 WeakPolarHBondContact OH-CD 3.36Å; Y203-E220 VanDerWaalsContact OH-CG 3.29Å; Y203-E220 WeakPolarHBondContact OH-CG 3.33Å |
| 204 | H | 96 | Very high | 92.4 | Very high | 28 Ų | 28 | 52.9 Ų | 52.9 | 13% | 0.13 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 141.5 | 162.7 | -65.7 | 128.3 | 0 | 0 | 0 | 110.3 | C181 C184 L188 G206 C207 I208 | C181-H204 PolarHBondContact SG-N 3.38Å; C184-H204 PolarHBondContact SG-ND1 2.93Å; L188-H204 WeakPolarHBondContact CD2-NE2 3.34Å; H204-G206 VanDerWaalsContact C-N 3.33Å; H204-G206 PolarHBondContact O-N 3.36Å; H204-C207 HydrophobicContact CB-CB 4.1Å; H204-C207 PolarHBondContact O-N 2.78Å; H204-I208 PolarHBondContact O-N 3.25Å; H204-I208 VanDerWaalsContact O-N 3.13Å |
| 205 | K | 94.5 | Very high | 91.9 | Very high | 61 Ų | 61 | 55.5 Ų | 55.5 | 27% | 0.265 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -52.5 | -50.2 | 178.5 | -172.6 | -167.2 | -178.7 | -65.6 | 0 | 112.1 | Y169 E171 T193 C207 I208 D209 | Y169-K205 HydrophobicContact CE2-CG 4.43Å; Y169-K205 PolarHBondContact OH-NZ 3.48Å; E171-K205 WeakPolarHBondContact OE1-CE 3.35Å; E171-K205 IonicContact OE1-NZ 3.83Å; T193-K205 HydrophobicContact CG2-CB 4.19Å; T193-K205 HydrophobicContact CG2-CD 4.22Å; T193-K205 PolarHBondContact O-N 2.89Å; K205-C207 PolarHBondContact O-N 3.4Å; K205-I208 VanDerWaalsContact O-CG2 3.27Å; K205-I208 WeakPolarHBondContact O-CG2 3.38Å; K205-I208 PolarHBondContact O-N 3.31Å; K205-D209 IonicContact NZ-OD1 3.94Å; K205-D209 IonicContact NZ-OD2 2.64Å; K205-D209 PolarHBondContact NZ-OD2 2.93Å; K205-D209 VanDerWaalsContact O-CG 3.28Å; K205-D209 PolarHBondContact O-N 3.18Å; K205-D209 VanDerWaalsContact O-N 3.08Å |
| 206 | G | 94.3 | Very high | 91.4 | Very high | 50 Ų | 50 | 60 Ų | 60 | 52% | 0.515 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61.1 | -41 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | H204 D209 E210 | H204-G206 VanDerWaalsContact C-N 3.33Å; H204-G206 PolarHBondContact O-N 3.36Å; G206-D209 PolarHBondContact O-N 2.85Å; G206-E210 PolarHBondContact O-N 3.42Å; G206-E210 VanDerWaalsContact O-N 3.15Å |
| 207 | C | 95.3 | Very high | 91.1 | Very high | 23 Ų | 23 | 58.1 Ų | 58.1 | 16% | 0.155 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -66.1 | -39.1 | -179.8 | -62.6 | 0 | 0 | 0 | 0 | 113 | I183 H204 K205 W211 | I183-C207 HydrophobicContact CB-CB 3.9Å; I183-C207 HydrophobicContact CD1-CB 4Å; I183-C207 HydrophobicContact CG2-CB 3.82Å; H204-C207 HydrophobicContact CB-CB 4.1Å; H204-C207 PolarHBondContact O-N 2.78Å; K205-C207 PolarHBondContact O-N 3.4Å; C207-W211 WeakPolarHBondContact O-CB 3.49Å; C207-W211 PolarHBondContact O-N 2.92Å; C207-W211 VanDerWaalsContact O-N 3.14Å |
| 208 | I | 93.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -74.7 | -32.5 | 176.8 | -164 | 68 | 0 | 0 | 0 | 112.3 | Y169 I183 A195 L197 Y203 H204 K205 W211 F212 | Y169-I208 HydrophobicContact CD1-CG1 4.41Å; Y169-I208 HydrophobicContact CD1-CG2 3.76Å; Y169-I208 HydrophobicContact CE1-CG2 3.57Å; I183-I208 HydrophobicContact CD1-CD1 4.16Å; A195-I208 HydrophobicContact CB-CB 4.36Å; A195-I208 HydrophobicContact CB-CG2 3.32Å; L197-I208 HydrophobicContact CD1-CD1 4.12Å; L197-I208 HydrophobicContact CD1-CG1 4.06Å; L197-I208 HydrophobicContact CD2-CD1 4.29Å; Y203-I208 HydrophobicContact CD2-CD1 3.85Å; Y203-I208 HydrophobicContact CD2-CG1 4.46Å; Y203-I208 HydrophobicContact CE2-CD1 4.21Å; Y203-I208 HydrophobicContact CG-CD1 4.43Å; H204-I208 PolarHBondContact O-N 3.25Å; H204-I208 VanDerWaalsContact O-N 3.13Å; K205-I208 VanDerWaalsContact O-CG2 3.27Å; K205-I208 WeakPolarHBondContact O-CG2 3.38Å; K205-I208 PolarHBondContact O-N 3.31Å; I208-W211 HydrophobicContact CD1-CB 4.45Å; I208-W211 HydrophobicContact CD1-CG 4.48Å; I208-W211 PolarHBondContact O-N 2.9Å; I208-F212 HydrophobicContact CD1-CD1 4.06Å; I208-F212 HydrophobicContact CD1-CE1 3.63Å; I208-F212 HydrophobicContact CD1-CZ 3.96Å; I208-F212 HydrophobicContact CG1-CD1 4.15Å; I208-F212 HydrophobicContact CG1-CD2 4.26Å; I208-F212 HydrophobicContact CG1-CE1 3.86Å; I208-F212 HydrophobicContact CG1-CE2 3.99Å; I208-F212 HydrophobicContact CG1-CG 4.35Å; I208-F212 HydrophobicContact CG1-CZ 3.78Å; I208-F212 WeakPolarHBondContact O-CB 3.28Å; I208-F212 WeakPolarHBondContact O-CG 3.3Å; I208-F212 PolarHBondContact O-N 2.84Å |
| 209 | D | 92.2 | Very high | 90.8 | Very high | 55 Ų | 55 | 55.4 Ų | 55.4 | 29% | 0.294 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -61 | -49.6 | 177 | -75.9 | -28.2 | 0 | 0 | 0 | 110.4 | Y169 K205 G206 F212 E213 | Y169-D209 WeakPolarHBondContact CE1-OD1 3.38Å; Y169-D209 VanDerWaalsContact OH-CG 3.31Å; Y169-D209 PolarHBondContact OH-OD1 3.45Å; Y169-D209 PolarHBondContact OH-OD2 3.29Å; K205-D209 IonicContact NZ-OD1 3.94Å; K205-D209 IonicContact NZ-OD2 2.64Å; K205-D209 PolarHBondContact NZ-OD2 2.93Å; K205-D209 VanDerWaalsContact O-CG 3.28Å; K205-D209 PolarHBondContact O-N 3.18Å; K205-D209 VanDerWaalsContact O-N 3.08Å; G206-D209 PolarHBondContact O-N 2.85Å; D209-F212 PolarHBondContact O-N 3.08Å; D209-E213 PolarHBondContact O-N 3.28Å |
| 210 | E | 92.9 | Very high | 90.6 | Very high | 144 Ų | 144 | 58.8 Ų | 58.8 | 67% | 0.673 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -63.3 | -41.4 | 176.3 | -172.6 | 171.6 | -164.7 | 0 | 0 | 112 | G206 F212 E213 | G206-E210 PolarHBondContact O-N 3.42Å; G206-E210 VanDerWaalsContact O-N 3.15Å; E210-F212 VanDerWaalsContact C-N 3.32Å; E210-F212 PolarHBondContact O-N 2.79Å; E210-E213 WeakPolarHBondContact O-CB 3.41Å; E210-E213 PolarHBondContact O-N 3.19Å |
| 211 | W | 91.2 | Very high | 90.4 | Very high | 81 Ų | 81 | 57.8 Ų | 57.8 | 31% | 0.307 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -59.9 | -40.8 | 174.6 | 177.6 | -101.2 | 0 | 0 | 0 | 112.6 | I183 C207 I208 E213 V214 N215 S217 P219 | I183-W211 HydrophobicContact CD1-CB 4.19Å; C207-W211 WeakPolarHBondContact O-CB 3.49Å; C207-W211 PolarHBondContact O-N 2.92Å; C207-W211 VanDerWaalsContact O-N 3.14Å; I208-W211 HydrophobicContact CD1-CB 4.45Å; I208-W211 HydrophobicContact CD1-CG 4.48Å; I208-W211 PolarHBondContact O-N 2.9Å; W211-E213 PolarHBondContact O-N 3.38Å; W211-V214 PolarHBondContact O-N 3.24Å; W211-V214 VanDerWaalsContact O-N 3.14Å; W211-N215 HydrophobicContact CD2-CB 4.44Å; W211-N215 HydrophobicContact CZ2-CB 3.8Å; W211-N215 PolarHBondContact NE1-O 2.85Å; W211-N215 PolarHBondContact O-N 2.64Å; W211-S217 PolarHBondContact NE1-O 3.06Å; W211-P219 HydrophobicContact CD2-CG 4.12Å; W211-P219 HydrophobicContact CG-CG 4.27Å; W211-P219 HydrophobicContact CZ2-CB 4.22Å; W211-P219 HydrophobicContact CZ2-CG 4.19Å |
| 212 | F | 89.8 | Confident | 89.6 | Confident | 33 Ų | 33 | 61.5 Ų | 61.5 | 15% | 0.145 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -71.7 | -10.8 | 179.4 | -78 | -1.1 | 0 | 0 | 0 | 114.7 | V167 Y169 L197 I208 D209 E210 V214 N215 | V167-F212 HydrophobicContact CB-CZ 4.05Å; V167-F212 HydrophobicContact CG1-CZ 4.01Å; V167-F212 VanDerWaalsContact O-CE2 3.3Å; V167-F212 WeakPolarHBondContact O-CE2 3.4Å; Y169-F212 HydrophobicContact CD1-CD2 4.43Å; Y169-F212 AromaticContact CD1-CE2 3.92Å; Y169-F212 HydrophobicContact CD1-CE2 3.92Å; Y169-F212 HydrophobicContact CE1-CE2 4.45Å; L197-F212 HydrophobicContact CD2-CZ 4.11Å; L197-F212 HydrophobicContact CG-CZ 4.46Å; I208-F212 HydrophobicContact CD1-CD1 4.06Å; I208-F212 HydrophobicContact CD1-CE1 3.63Å; I208-F212 HydrophobicContact CD1-CZ 3.96Å; I208-F212 HydrophobicContact CG1-CD1 4.15Å; I208-F212 HydrophobicContact CG1-CD2 4.26Å; I208-F212 HydrophobicContact CG1-CE1 3.86Å; I208-F212 HydrophobicContact CG1-CE2 3.99Å; I208-F212 HydrophobicContact CG1-CG 4.35Å; I208-F212 HydrophobicContact CG1-CZ 3.78Å; I208-F212 WeakPolarHBondContact O-CB 3.28Å; I208-F212 WeakPolarHBondContact O-CG 3.3Å; I208-F212 PolarHBondContact O-N 2.84Å; D209-F212 PolarHBondContact O-N 3.08Å; E210-F212 VanDerWaalsContact C-N 3.32Å; E210-F212 PolarHBondContact O-N 2.79Å; F212-V214 VanDerWaalsContact C-N 3.32Å; F212-N215 WeakPolarHBondContact CD1-O 3.28Å |
| 213 | E | 86.1 | Confident | 88.2 | Confident | 163 Ų | 163 | 62.4 Ų | 62.4 | 76% | 0.762 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -68.5 | -33.2 | 167.7 | -57.9 | -164.4 | 165 | 0 | 0 | 111.9 | D209 E210 W211 | D209-E213 PolarHBondContact O-N 3.28Å; E210-E213 WeakPolarHBondContact O-CB 3.41Å; E210-E213 PolarHBondContact O-N 3.19Å; W211-E213 PolarHBondContact O-N 3.38Å |
| 214 | V | 82.1 | Confident | 86.1 | Confident | 70 Ų | 70 | 72 Ų | 72 | 42% | 0.424 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -101.1 | -48.6 | -177.9 | -172.4 | 0 | 0 | 0 | 0 | 111.6 | C145 W211 F212 | C145-V214 CarbonylContact C-O 3.57Å; C145-V214 WeakPolarHBondContact CA-O 3.44Å; W211-V214 PolarHBondContact O-N 3.24Å; W211-V214 VanDerWaalsContact O-N 3.14Å; F212-V214 VanDerWaalsContact C-N 3.32Å |
| 215 | N | 83.4 | Confident | 85.6 | Confident | 56 Ų | 56 | 74.2 Ų | 74.2 | 30% | 0.299 | 40% | 0.396 | S | S | . | . | trans | -131.3 | 112.6 | -173.6 | -73.4 | -54.4 | 0 | 0 | 0 | 111.4 | W211 F212 S217 | W211-N215 HydrophobicContact CD2-CB 4.44Å; W211-N215 HydrophobicContact CZ2-CB 3.8Å; W211-N215 PolarHBondContact NE1-O 2.85Å; W211-N215 PolarHBondContact O-N 2.64Å; F212-N215 WeakPolarHBondContact CD1-O 3.28Å; N215-S217 PolarHBondContact O-N 2.72Å | ||
| 216 | R | 84.6 | Confident | 85.1 | Confident | 94 Ų | 94 | 74.9 Ų | 74.9 | 36% | 0.355 | 40% | 0.403 | S | S | . | . | trans | -81.9 | 27.8 | -178.6 | -57.3 | -177.7 | -173.6 | 168.8 | 5.6 | 114.3 | V167 | V167-R216 WeakPolarHBondContact CG2-O 3.37Š| ||
| 217 | S | 87.1 | Confident | 84.6 | Confident | 24 Ų | 24 | 76.3 Ų | 76.3 | 17% | 0.168 | 40% | 0.396 | C | S | . | . | S | Bend | trans | -124.4 | 159.3 | -178.7 | 57.3 | 0 | 0 | 0 | 0 | 110.4 | W211 N215 | W211-S217 PolarHBondContact NE1-O 3.06Å; N215-S217 PolarHBondContact O-N 2.72Å |
| 218 | C | 90.5 | Very high | 84 | Confident | 7 Ų | 7 | 79.4 Ų | 79.4 | 5% | 0.047 | 41% | 0.41 | C | S | . | . | trans | -63.1 | 136.9 | 171.9 | -179.3 | 0 | 0 | 0 | 0 | 110.3 | L197 C199 Y203 H221 | L197-C218 HydrophobicContact CD2-CB 3.68Å; C199-C218 PolarHBondContact SG-SG 2.94Å; Y203-C218 PolarHBondContact OH-SG 3.27Å; Y203-C218 VanDerWaalsContact OH-SG 3.38Å; C218-H221 HydrophobicContact CB-CB 3.97Å; C218-H221 WeakPolarHBondContact CB-O 3.5Å; C218-H221 CarbonylContact O-C 3.57Å; C218-H221 VanDerWaalsContact O-C 3.22Å; C218-H221 PolarHBondContact O-N 3.12Å | ||
| 219 | P | 88.9 | Confident | 83.4 | Confident | 38 Ų | 38 | 84.4 Ų | 84.4 | 25% | 0.247 | 44% | 0.436 | C | S | . | . | S | Bend | trans | -56.6 | -45.5 | 173.1 | -23 | 29.3 | 0 | 0 | 0 | 113.2 | I183 Y203 W211 | I183-P219 HydrophobicContact CD1-CG 4.2Å; I183-P219 HydrophobicContact CG1-CG 4.18Å; Y203-P219 HydrophobicContact CE1-CG 4.15Å; Y203-P219 HydrophobicContact CE2-CG 4.48Å; Y203-P219 WeakPolarHBondContact OH-CD 3.36Å; W211-P219 HydrophobicContact CD2-CG 4.12Å; W211-P219 HydrophobicContact CG-CG 4.27Å; W211-P219 HydrophobicContact CZ2-CB 4.22Å; W211-P219 HydrophobicContact CZ2-CG 4.19Å |
| 220 | E | 87.8 | Confident | 82.8 | Confident | 121 Ų | 121 | 86.3 Ų | 86.3 | 57% | 0.565 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -77.2 | -26.4 | -177.9 | -63.3 | -66.3 | 111.7 | 0 | 0 | 112.8 | Y203 | Y203-E220 VanDerWaalsContact OH-CG 3.29Å; Y203-E220 WeakPolarHBondContact OH-CG 3.33Å |
| 221 | H | 86.1 | Confident | 82.1 | Confident | 103 Ų | 103 | 82.2 Ų | 82.2 | 48% | 0.477 | 43% | 0.429 | S | S | . | . | S | Bend | trans | -129.5 | 75.4 | -175.9 | -56.4 | 94.4 | 0 | 0 | 0 | 109.1 | C201 C218 A223 | C201-H221 PolarHBondContact SG-CE1 2.7Å; C201-H221 PolarHBondContact SG-ND1 3.1Å; C218-H221 HydrophobicContact CB-CB 3.97Å; C218-H221 WeakPolarHBondContact CB-O 3.5Å; C218-H221 CarbonylContact O-C 3.57Å; C218-H221 VanDerWaalsContact O-C 3.22Å; C218-H221 PolarHBondContact O-N 3.12Å; H221-A223 PolarHBondContact O-N 3.3Å |
| 222 | P | 77.3 | Confident | 81.4 | Confident | 98 Ų | 98 | 82.3 Ų | 82.3 | 64% | 0.636 | 44% | 0.439 | S | S | * | . | trans | -58.6 | 111.8 | 167.7 | 26.1 | -33 | 0 | 0 | 0 | 107.3 | D224 | P222-D224 PolarHBondContact O-N 3.27Š| ||
| 223 | A | 64.1 | Low | 80.7 | Confident | 59 Ų | 59 | 86.4 Ų | 86.4 | 49% | 0.488 | 46% | 0.463 | S | S | . | . | trans | -66.4 | 116.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 107.3 | K164 H221 | K164-A223 VanDerWaalsContact CE-O 3.28Å; K164-A223 WeakPolarHBondContact CE-O 3.39Å; K164-A223 PolarHBondContact NZ-O 3.46Å; H221-A223 PolarHBondContact O-N 3.3Å | ||
| 224 | D | 49.9 | Very low | 80.2 | Confident | 204 Ų | 204 | 79.5 Ų | 79.5 | 100% | 1.091 | 44% | 0.436 | S | S | * | . | trans | -46.3 | 0 | 164.8 | -154 | -133.7 | 0 | 0 | 0 | 109.5 | K164 P222 | K164-D224 PolarHBondContact NZ-O 3.15Å; K164-D224 PolarHBondContact NZ-OXT 2.82Å; P222-D224 PolarHBondContact O-N 3.27Å |
Retrieved 224 of 224 residues in 67.3 ms
(Link to these results)