| 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 | 39.3 | Very low | 37.7 | Very low | 250 Ų | 250 | 137.7 Ų | 137.7 | 100% | 1.232 | 83% | 0.829 | S | S | * | * | 0 | 146.3 | 0 | -74.3 | -165.8 | 175.1 | 0 | 0 | 108.5 | |||||
| 2 | S | 35.2 | Very low | 37.5 | Very low | 108 Ų | 108 | 136.2 Ų | 136.2 | 76% | 0.755 | 83% | 0.829 | S | S | * | * | trans | -74.6 | 171.2 | -163.6 | -52.7 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 3 | L | 38.8 | Very low | 37.6 | Very low | 146 Ų | 146 | 134.2 Ų | 134.2 | 76% | 0.764 | 82% | 0.817 | S | S | * | * | trans | 93.3 | 109.7 | 150.4 | -47 | -176.2 | 0 | 0 | 0 | 117.4 | ||||
| 4 | L | 36.8 | Very low | 37.4 | Very low | 160 Ų | 160 | 138.6 Ų | 138.6 | 84% | 0.838 | 81% | 0.813 | S | S | * | * | 65.5 | 133.4 | 84.9 | -74.9 | 161.4 | 0 | 0 | 0 | 111.6 | |||||
| 5 | S | 38.1 | Very low | 37.6 | Very low | 106 Ų | 106 | 139.3 Ų | 139.3 | 74% | 0.741 | 81% | 0.805 | S | S | * | * | cis | -179.4 | 149.2 | 25.4 | 45.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 6 | A | 39.2 | Very low | 37.9 | Very low | 94 Ų | 94 | 138.1 Ų | 138.1 | 78% | 0.777 | 80% | 0.804 | S | S | * | * | trans | 177.4 | 81.3 | 144.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 7 | I | 41 | Very low | 38.7 | Very low | 158 Ų | 158 | 135.1 Ų | 135.1 | 81% | 0.81 | 80% | 0.799 | S | S | * | * | 10.5 | 115 | 111.2 | 31 | 173.7 | 0 | 0 | 0 | 115.6 | |||||
| 8 | D | 35.3 | Very low | 39.4 | Very low | 165 Ų | 165 | 136.5 Ų | 136.5 | 88% | 0.882 | 80% | 0.796 | S | S | * | * | trans | -134.8 | 145.6 | 140.8 | -134.3 | -22.6 | 0 | 0 | 0 | 111.4 | ||||
| 9 | T | 38.7 | Very low | 40 | Very low | 117 Ų | 117 | 138.1 Ų | 138.1 | 72% | 0.718 | 80% | 0.8 | S | S | * | * | trans | -106 | 126.3 | -153.8 | -64.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 10 | S | 35.9 | Very low | 40.6 | Very low | 116 Ų | 116 | 138.6 Ų | 138.6 | 81% | 0.811 | 80% | 0.799 | S | S | * | * | trans | 177.4 | 85.5 | 136.8 | 39 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 11 | A | 36.7 | Very low | 41.2 | Very low | 95 Ų | 95 | 137.4 Ų | 137.4 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | trans | -67.6 | 132.5 | 154.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 12 | S | 35.3 | Very low | 41.6 | Very low | 119 Ų | 119 | 136.4 Ų | 136.4 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | trans | -129 | 88.7 | 149.6 | -165 | 0 | 0 | 0 | 0 | 108.1 | Y14 | S12-Y14 PolarHBondContact O-N 3.25Š| ||
| 13 | V | 38.1 | Very low | 42.5 | Very low | 111 Ų | 111 | 136.6 Ų | 136.6 | 67% | 0.673 | 77% | 0.769 | S | S | * | * | trans | -68.9 | 111.1 | 167 | 173 | 0 | 0 | 0 | 0 | 106.6 | Q15 | V13-Q15 PolarHBondContact O-N 2.9Š| ||
| 14 | Y | 35.3 | Very low | 43.1 | Very low | 196 Ų | 196 | 137.2 Ų | 137.2 | 77% | 0.769 | 76% | 0.762 | S | S | * | * | trans | -71.5 | 108.1 | 171.8 | -161.3 | -98.7 | 0 | 0 | 0 | 108.8 | S12 | S12-Y14 PolarHBondContact O-N 3.25Š| ||
| 15 | Q | 40.5 | Very low | 43.7 | Very low | 148 Ų | 148 | 136.2 Ų | 136.2 | 69% | 0.692 | 76% | 0.757 | S | S | * | * | trans | -81.7 | 143.5 | 173.6 | -81.4 | -87 | -36.6 | 0 | 0 | 110.6 | V13 A17 | V13-Q15 PolarHBondContact O-N 2.9Å; Q15-A17 PolarHBondContact O-N 3.24Å | ||
| 16 | P | 42.8 | Very low | 44.2 | Very low | 120 Ų | 120 | 135.9 Ų | 135.9 | 78% | 0.779 | 76% | 0.755 | S | S | * | * | trans | -88.3 | 97.4 | -176.8 | 34.4 | -29.4 | 0 | 0 | 0 | 110.4 | ||||
| 17 | A | 51.2 | Low | 44.9 | Very low | 88 Ų | 88 | 138.5 Ų | 138.5 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | trans | -135.1 | 70.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q15 | Q15-A17 PolarHBondContact O-N 3.24Š| ||
| 18 | Q | 51.2 | Low | 45.1 | Very low | 160 Ų | 160 | 137.2 Ų | 137.2 | 75% | 0.748 | 75% | 0.745 | S | S | * | * | trans | -117.1 | 17.4 | 171.6 | -71.1 | -165.8 | -7 | 0 | 0 | 113.9 | ||||
| 19 | L | 50.3 | Low | 45.3 | Very low | 167 Ų | 167 | 136.6 Ų | 136.6 | 87% | 0.874 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -109.2 | 10.4 | -179.8 | -79 | 172.8 | 0 | 0 | 0 | 115.5 | ||
| 20 | L | 53.3 | Low | 45.4 | Very low | 147 Ų | 147 | 136 Ų | 136 | 77% | 0.77 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -112.7 | 2.9 | 179.7 | -72.8 | 169.8 | 0 | 0 | 0 | 115.3 | W22 | L20-W22 VanDerWaalsContact C-N 3.31Å; L20-W22 PolarHBondContact O-N 2.87Å |
| 21 | N | 53.2 | Low | 45.4 | Very low | 115 Ų | 115 | 138.1 Ų | 138.1 | 62% | 0.615 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.1 | -16.7 | -177 | -151.8 | 7.6 | 0 | 0 | 0 | 113.8 | ||
| 22 | W | 46 | Very low | 45.5 | Very low | 229 Ų | 229 | 141.8 Ų | 141.8 | 87% | 0.867 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.2 | -14.5 | -173.5 | -72.6 | 58.4 | 0 | 0 | 0 | 113.7 | L20 | L20-W22 VanDerWaalsContact C-N 3.31Å; L20-W22 PolarHBondContact O-N 2.87Å |
| 23 | V | 55.4 | Low | 45.4 | Very low | 111 Ų | 111 | 143.2 Ų | 143.2 | 67% | 0.673 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.8 | -22.2 | -178.1 | 179.8 | 0 | 0 | 0 | 0 | 112.1 | ||
| 24 | Y | 50.2 | Low | 45.5 | Very low | 159 Ų | 159 | 143.4 Ų | 143.4 | 62% | 0.624 | 75% | 0.748 | S | S | * | * | G | 310 helix | trans | -88.3 | -19.6 | -171.1 | -165.7 | -100.3 | 0 | 0 | 0 | 114.8 | ||
| 25 | L | 49.7 | Very low | 45.5 | Very low | 139 Ų | 139 | 138.6 Ų | 138.6 | 73% | 0.728 | 75% | 0.749 | S | S | * | * | G | 310 helix | trans | -87.4 | -1.6 | -177.2 | -84.6 | 148.1 | 0 | 0 | 0 | 114.6 | ||
| 26 | S | 47.9 | Very low | 45.1 | Very low | 99 Ų | 99 | 141.2 Ų | 141.2 | 69% | 0.692 | 76% | 0.758 | S | S | * | * | G | 310 helix | trans | -99.7 | 6.4 | -177.3 | -56.9 | 0 | 0 | 0 | 0 | 114.5 | ||
| 27 | L | 54.8 | Low | 44.8 | Very low | 149 Ų | 149 | 143.2 Ų | 143.2 | 78% | 0.78 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -132.2 | 23.7 | -173.5 | -75.7 | 172.3 | 0 | 0 | 0 | 115.8 | ||
| 28 | Q | 46.3 | Very low | 44.1 | Very low | 131 Ų | 131 | 142.4 Ų | 142.4 | 61% | 0.612 | 76% | 0.756 | S | S | * | * | trans | -122 | 101.1 | 165 | -85.1 | 110.7 | 29.8 | 0 | 0 | 111.5 | ||||
| 29 | D | 38.1 | Very low | 43.3 | Very low | 153 Ų | 153 | 144.9 Ų | 144.9 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | trans | -116.7 | 122.5 | 145.5 | -153.7 | -14.4 | 0 | 0 | 0 | 105.5 | ||||
| 30 | P | 41.2 | Very low | 42.9 | Very low | 104 Ų | 104 | 145.7 Ų | 145.7 | 68% | 0.675 | 76% | 0.756 | S | S | * | * | -146.1 | 136.6 | 113.6 | 33.7 | -16 | 0 | 0 | 0 | 114.9 | |||||
| 31 | H | 36.7 | Very low | 41.9 | Very low | 160 Ų | 160 | 144.7 Ų | 144.7 | 74% | 0.741 | 76% | 0.758 | S | S | * | * | trans | 45.9 | 119.7 | 133.4 | -69.9 | -78.3 | 0 | 0 | 0 | 122.1 | ||||
| 32 | Q | 37.9 | Very low | 41 | Very low | 172 Ų | 172 | 145.1 Ų | 145.1 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | trans | 57.1 | 119.6 | 136 | -62 | -158.4 | 42.7 | 0 | 0 | 120.7 | ||||
| 33 | T | 33.6 | Very low | 40.9 | Very low | 150 Ų | 150 | 139 Ų | 139 | 92% | 0.92 | 75% | 0.746 | S | S | * | * | -155.8 | 146 | 123.4 | 37.8 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 34 | S | 41 | Very low | 39.5 | Very low | 114 Ų | 114 | 140.9 Ų | 140.9 | 80% | 0.797 | 75% | 0.752 | S | S | * | * | trans | -75.2 | 142.4 | -171.7 | 51.8 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 35 | A | 35.3 | Very low | 38.6 | Very low | 96 Ų | 96 | 137.8 Ų | 137.8 | 79% | 0.793 | 75% | 0.754 | S | S | * | * | trans | -165.5 | 73.1 | 154.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 36 | F | 31.8 | Very low | 37.6 | Very low | 202 Ų | 202 | 135.7 Ų | 135.7 | 89% | 0.886 | 75% | 0.751 | S | S | * | * | trans | -165.5 | 76.9 | 143.9 | 58.1 | -83.8 | 0 | 0 | 0 | 109.1 | A38 | F36-A38 PolarHBondContact O-N 3.25Š| ||
| 37 | D | 36 | Very low | 36.7 | Very low | 163 Ų | 163 | 139.2 Ų | 139.2 | 87% | 0.872 | 76% | 0.756 | S | S | * | * | trans | -84.2 | 95.5 | 164.5 | -151.9 | -2.9 | 0 | 0 | 0 | 106.8 | ||||
| 38 | A | 37.2 | Very low | 35.6 | Very low | 71 Ų | 71 | 137.6 Ų | 137.6 | 59% | 0.587 | 75% | 0.753 | S | S | * | * | trans | -155.6 | 83.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | F36 | F36-A38 PolarHBondContact O-N 3.25Š| ||
| 39 | F | 33.5 | Very low | 34.6 | Very low | 212 Ų | 212 | 138.1 Ų | 138.1 | 93% | 0.93 | 76% | 0.76 | S | S | * | * | trans | 172.4 | 80.7 | 139.2 | -79.1 | -57.2 | 0 | 0 | 0 | 107.4 | ||||
| 40 | R | 40.8 | Very low | 34.3 | Very low | 184 Ų | 184 | 138.4 Ų | 138.4 | 69% | 0.694 | 76% | 0.76 | S | S | * | * | trans | -122.7 | 123.5 | 164.9 | -168 | 179.5 | -162.7 | -176.1 | 5.3 | 109.6 | E42 | R40-E42 WeakPolarHBondContact CD-OE1 3.45Å; R40-E42 IonicContact CZ-OE1 2.83Å; R40-E42 IonicContact CZ-OE2 3.75Å; R40-E42 IonicContact NE-OE1 3.13Å; R40-E42 PolarHBondContact NE-OE1 3.48Å; R40-E42 VanDerWaalsContact NE-OE1 3.13Å; R40-E42 IonicContact NH1-OE1 2.63Å; R40-E42 PolarHBondContact NH1-OE1 3.32Å; R40-E42 IonicContact NH2-OE1 3.49Å; R40-E42 PolarHBondContact NH2-OE1 3.27Å; R40-E42 IonicContact NH2-OE2 3.71Å | ||
| 41 | P | 33.4 | Very low | 33.6 | Very low | 125 Ų | 125 | 138.1 Ų | 138.1 | 81% | 0.812 | 76% | 0.761 | S | S | * | * | trans | -100.4 | 131.4 | 143.2 | -4.6 | 24 | 0 | 0 | 0 | 109.6 | ||||
| 42 | E | 34.3 | Very low | 33.2 | Very low | 125 Ų | 125 | 139.7 Ų | 139.7 | 58% | 0.584 | 77% | 0.766 | S | S | * | * | trans | -67.2 | 174.7 | 176.7 | -81.1 | -72.3 | 162.8 | 0 | 0 | 112.9 | R40 | R40-E42 WeakPolarHBondContact CD-OE1 3.45Å; R40-E42 IonicContact CZ-OE1 2.83Å; R40-E42 IonicContact CZ-OE2 3.75Å; R40-E42 IonicContact NE-OE1 3.13Å; R40-E42 PolarHBondContact NE-OE1 3.48Å; R40-E42 VanDerWaalsContact NE-OE1 3.13Å; R40-E42 IonicContact NH1-OE1 2.63Å; R40-E42 PolarHBondContact NH1-OE1 3.32Å; R40-E42 IonicContact NH2-OE1 3.49Å; R40-E42 PolarHBondContact NH2-OE1 3.27Å; R40-E42 IonicContact NH2-OE2 3.71Å | ||
| 43 | P | 42.9 | Very low | 32.7 | Very low | 99 Ų | 99 | 135.7 Ų | 135.7 | 64% | 0.643 | 76% | 0.757 | S | S | * | * | trans | -111.9 | 170.2 | -133.9 | 41.9 | -30.8 | 0 | 0 | 0 | 113.6 | ||||
| 44 | N | 27.6 | Very low | 32.4 | Very low | 151 Ų | 151 | 138.2 Ų | 138.2 | 81% | 0.807 | 76% | 0.755 | S | S | * | * | trans | -157.9 | 122 | 146 | -120.1 | -4.5 | 0 | 0 | 0 | 114.1 | ||||
| 45 | S | 30.1 | Very low | 32.1 | Very low | 94 Ų | 94 | 138.9 Ų | 138.9 | 66% | 0.657 | 75% | 0.754 | S | S | * | * | trans | 45.7 | 135.7 | 141 | 65.7 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 46 | S | 29.9 | Very low | 32.5 | Very low | 96 Ų | 96 | 140 Ų | 140 | 67% | 0.671 | 75% | 0.753 | S | S | * | * | 107.4 | 114.5 | 129.6 | 60.3 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 47 | H | 27.9 | Very low | 32.5 | Very low | 173 Ų | 173 | 135.2 Ų | 135.2 | 80% | 0.801 | 75% | 0.752 | S | S | * | * | trans | 61.2 | 139.4 | 139.2 | -74.1 | -91.9 | 0 | 0 | 0 | 117.9 | ||||
| 48 | T | 31.9 | Very low | 32.3 | Very low | 115 Ų | 115 | 132.2 Ų | 132.2 | 71% | 0.706 | 75% | 0.75 | S | S | * | * | cis | -171.3 | 136.6 | 33.2 | 19.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 49 | D | 26.5 | Very low | 32.2 | Very low | 141 Ų | 141 | 133.7 Ų | 133.7 | 75% | 0.754 | 76% | 0.761 | S | S | * | * | 49.9 | 140.2 | 128.3 | -74.7 | -42.1 | 0 | 0 | 0 | 126.5 | |||||
| 50 | L | 30.4 | Very low | 32.4 | Very low | 159 Ų | 159 | 131.6 Ų | 131.6 | 83% | 0.832 | 76% | 0.76 | S | S | * | * | trans | 101.1 | 96 | 147.2 | -68.1 | 150.3 | 0 | 0 | 0 | 121.6 | ||||
| 51 | S | 26.7 | Very low | 32.7 | Very low | 98 Ų | 98 | 130.7 Ų | 130.7 | 69% | 0.685 | 77% | 0.768 | S | S | * | * | 46.8 | 119.9 | 115 | 156 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 52 | F | 28.1 | Very low | 33.1 | Very low | 194 Ų | 194 | 130.6 Ų | 130.6 | 85% | 0.851 | 77% | 0.77 | S | S | * | * | 178 | 145.8 | 95.7 | -155.8 | -113.2 | 0 | 0 | 0 | 112.7 | |||||
| 53 | S | 28.4 | Very low | 33.6 | Very low | 87 Ų | 87 | 130.3 Ų | 130.3 | 61% | 0.608 | 78% | 0.782 | S | S | * | * | trans | -33.9 | 150.2 | -174.6 | 53.8 | 0 | 0 | 0 | 0 | 124 | ||||
| 54 | K | 26.7 | Very low | 33.6 | Very low | 204 Ų | 204 | 129.8 Ų | 129.8 | 89% | 0.887 | 78% | 0.781 | S | S | * | * | 165.8 | 129.4 | 109.5 | -165.6 | 167.5 | -174.7 | 179.1 | 0 | 113 | |||||
| 55 | T | 34.3 | Very low | 34.5 | Very low | 127 Ų | 127 | 129.8 Ų | 129.8 | 78% | 0.779 | 78% | 0.78 | S | S | * | * | trans | -107 | -179.5 | 168.8 | 54.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 56 | P | 44.9 | Very low | 35.6 | Very low | 119 Ų | 119 | 132.6 Ų | 132.6 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | cis | -134.7 | -177.4 | -19.8 | 25 | -0.2 | 0 | 0 | 0 | 115.1 | ||||
| 57 | A | 31 | Very low | 36.5 | Very low | 103 Ų | 103 | 131.8 Ų | 131.8 | 85% | 0.851 | 78% | 0.782 | S | S | * | * | trans | 87 | 120.3 | 146 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 58 | A | 30.9 | Very low | 37.8 | Very low | 100 Ų | 100 | 128.3 Ų | 128.3 | 83% | 0.826 | 77% | 0.769 | S | S | * | * | trans | -167.6 | 103.4 | 146.4 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 59 | A | 36.2 | Very low | 38.9 | Very low | 101 Ų | 101 | 132.1 Ų | 132.1 | 84% | 0.835 | 77% | 0.772 | S | S | * | * | 75.1 | 97.5 | 83.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | L61 | A59-L61 PolarHBondContact O-N 3.09Š| |||
| 60 | D | 38.2 | Very low | 40.3 | Very low | 168 Ų | 168 | 131 Ų | 131 | 90% | 0.898 | 77% | 0.766 | S | S | * | * | trans | -63.3 | 117.1 | 166.3 | -70.4 | -55.7 | 0 | 0 | 0 | 111.2 | ||||
| 61 | L | 45.6 | Very low | 41.4 | Very low | 166 Ų | 166 | 128.2 Ų | 128.2 | 87% | 0.869 | 75% | 0.751 | S | S | * | * | trans | -160.5 | 84.3 | 164.8 | -159.4 | 71.1 | 0 | 0 | 0 | 112.9 | A59 | A59-L61 PolarHBondContact O-N 3.09Š| ||
| 62 | S | 42 | Very low | 42.8 | Very low | 122 Ų | 122 | 127.6 Ų | 127.6 | 85% | 0.853 | 74% | 0.741 | S | S | * | * | trans | -158.9 | 65.7 | 159.8 | 64.1 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 63 | S | 44.7 | Very low | 44.5 | Very low | 119 Ų | 119 | 124.6 Ų | 124.6 | 83% | 0.832 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -154.5 | 19.2 | 165.6 | 56.7 | 0 | 0 | 0 | 0 | 116.7 | ||
| 64 | S | 43.1 | Very low | 45.6 | Very low | 88 Ų | 88 | 127 Ų | 127 | 62% | 0.615 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -116.3 | 2.5 | -178.2 | -61.2 | 0 | 0 | 0 | 0 | 116.2 | ||
| 65 | L | 46.3 | Very low | 47 | Very low | 152 Ų | 152 | 123 Ų | 123 | 80% | 0.796 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -97.1 | -13 | -173.6 | -68.6 | 171.9 | 0 | 0 | 0 | 115.3 | ||
| 66 | N | 53.8 | Low | 47.9 | Very low | 152 Ų | 152 | 122 Ų | 122 | 81% | 0.813 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -91.2 | -12.5 | -177.2 | -77.3 | -32.7 | 0 | 0 | 0 | 115.1 | ||
| 67 | S | 48.5 | Very low | 48.2 | Very low | 80 Ų | 80 | 121.5 Ų | 121.5 | 56% | 0.559 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -89.4 | -21.3 | -176.7 | -159.1 | 0 | 0 | 0 | 0 | 114.1 | N71 | S67-N71 PolarHBondContact O-ND2 3.33Å |
| 68 | N | 56.7 | Low | 49 | Very low | 99 Ų | 99 | 125.6 Ų | 125.6 | 53% | 0.529 | 68% | 0.682 | S | S | . | * | H | α-helix | trans | -84.2 | -29.1 | -175.3 | -73.2 | -46.8 | 0 | 0 | 0 | 113.4 | N72 | N68-N72 WeakPolarHBondContact O-CB 3.49Å; N68-N72 PolarHBondContact O-N 3.19Å; N68-N72 PolarHBondContact O-ND2 3.25Å |
| 69 | Y | 54.8 | Low | 49.8 | Very low | 196 Ų | 196 | 125.1 Ų | 125.1 | 77% | 0.769 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -72 | -41 | -177.2 | -108.1 | -90.8 | 0 | 0 | 0 | 113.2 | N72 F73 | Y69-N72 PolarHBondContact O-N 3.07Å; Y69-F73 PolarHBondContact O-N 3.1Å; Y69-F73 VanDerWaalsContact O-N 3.16Å |
| 70 | L | 54.6 | Low | 50.4 | Low | 118 Ų | 118 | 126.7 Ų | 126.7 | 62% | 0.618 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -72.4 | -37 | 179.3 | -61.8 | -172.6 | 0 | 0 | 0 | 112.1 | N72 F73 F74 | L70-N72 VanDerWaalsContact C-N 3.35Å; L70-N72 PolarHBondContact O-N 3.36Å; L70-F73 PolarHBondContact O-N 3.15Å; L70-F74 VanDerWaalsContact O-CD2 3.31Å; L70-F74 WeakPolarHBondContact O-CD2 3.49Å; L70-F74 PolarHBondContact O-N 3.03Å; L70-F74 VanDerWaalsContact O-N 3.16Å |
| 71 | N | 54.2 | Low | 50.8 | Low | 99 Ų | 99 | 122.7 Ų | 122.7 | 53% | 0.529 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -64.6 | -37.7 | 174.9 | -88 | -65.5 | 0 | 0 | 0 | 112.5 | S67 Q75 | S67-N71 PolarHBondContact O-ND2 3.33Å; N71-Q75 WeakPolarHBondContact O-CB 3.37Å; N71-Q75 PolarHBondContact O-N 3.03Å; N71-Q75 VanDerWaalsContact O-N 3.07Å |
| 72 | N | 55.3 | Low | 50.9 | Low | 86 Ų | 86 | 121.6 Ų | 121.6 | 46% | 0.46 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -68.4 | -36.7 | 175.4 | -83.1 | -72.4 | 0 | 0 | 0 | 112.4 | N68 Y69 L70 Q75 L76 | N68-N72 WeakPolarHBondContact O-CB 3.49Å; N68-N72 PolarHBondContact O-N 3.19Å; N68-N72 PolarHBondContact O-ND2 3.25Å; Y69-N72 PolarHBondContact O-N 3.07Å; L70-N72 VanDerWaalsContact C-N 3.35Å; L70-N72 PolarHBondContact O-N 3.36Å; N72-Q75 PolarHBondContact O-N 2.78Å; N72-L76 VanDerWaalsContact O-CD1 3.23Å; N72-L76 WeakPolarHBondContact O-CD1 3.27Å; N72-L76 PolarHBondContact O-N 2.86Å |
| 73 | F | 64.6 | Low | 51.2 | Low | 130 Ų | 130 | 122 Ų | 122 | 57% | 0.57 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -64.6 | -46.4 | 177.5 | -174.5 | -99.6 | 0 | 0 | 0 | 112.4 | Y69 L70 Q75 L76 Q77 | Y69-F73 PolarHBondContact O-N 3.1Å; Y69-F73 VanDerWaalsContact O-N 3.16Å; L70-F73 PolarHBondContact O-N 3.15Å; F73-Q75 VanDerWaalsContact C-N 3.32Å; F73-Q75 PolarHBondContact O-N 3.44Å; F73-L76 PolarHBondContact O-N 2.96Å; F73-Q77 PolarHBondContact O-N 3.25Å; F73-Q77 VanDerWaalsContact O-N 3.15Å |
| 74 | F | 51.9 | Low | 51.3 | Low | 137 Ų | 137 | 122.4 Ų | 122.4 | 60% | 0.601 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -67.4 | -30.8 | 175.7 | -79.4 | -72 | 0 | 0 | 0 | 112.9 | L70 R78 | L70-F74 VanDerWaalsContact O-CD2 3.31Å; L70-F74 WeakPolarHBondContact O-CD2 3.49Å; L70-F74 PolarHBondContact O-N 3.03Å; L70-F74 VanDerWaalsContact O-N 3.16Å; F74-R78 WeakPolarHBondContact O-CB 3.48Å; F74-R78 PolarHBondContact O-N 3.1Å; F74-R78 VanDerWaalsContact O-N 3.12Å |
| 75 | Q | 55.1 | Low | 51.6 | Low | 121 Ų | 121 | 123.8 Ų | 123.8 | 57% | 0.565 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -70.3 | -41.1 | 173 | -94.9 | -159.7 | 30.1 | 0 | 0 | 113.1 | N71 N72 F73 Q77 R78 N79 | N71-Q75 WeakPolarHBondContact O-CB 3.37Å; N71-Q75 PolarHBondContact O-N 3.03Å; N71-Q75 VanDerWaalsContact O-N 3.07Å; N72-Q75 PolarHBondContact O-N 2.78Å; F73-Q75 VanDerWaalsContact C-N 3.32Å; F73-Q75 PolarHBondContact O-N 3.44Å; Q75-Q77 VanDerWaalsContact C-N 3.33Å; Q75-Q77 PolarHBondContact O-N 3.49Å; Q75-R78 PolarHBondContact O-N 2.97Å; Q75-N79 WeakPolarHBondContact O-CB 3.36Å; Q75-N79 PolarHBondContact O-N 3.32Å; Q75-N79 PolarHBondContact O-ND2 2.9Å |
| 76 | L | 53.6 | Low | 51.4 | Low | 107 Ų | 107 | 123 Ų | 123 | 56% | 0.56 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -63.6 | -41.2 | 176.6 | -96.6 | 86.3 | 0 | 0 | 0 | 111.3 | N72 F73 R78 N79 E80 | N72-L76 VanDerWaalsContact O-CD1 3.23Å; N72-L76 WeakPolarHBondContact O-CD1 3.27Å; N72-L76 PolarHBondContact O-N 2.86Å; F73-L76 PolarHBondContact O-N 2.96Å; L76-R78 VanDerWaalsContact C-N 3.31Å; L76-R78 PolarHBondContact O-N 3.38Å; L76-N79 PolarHBondContact O-N 3.09Å; L76-E80 PolarHBondContact O-N 2.87Å |
| 77 | Q | 51 | Low | 51 | Low | 108 Ų | 108 | 126.8 Ų | 126.8 | 51% | 0.505 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -66.6 | -32.4 | 177.3 | -147.6 | 171.3 | 28.1 | 0 | 0 | 112.6 | F73 Q75 A81 | F73-Q77 PolarHBondContact O-N 3.25Å; F73-Q77 VanDerWaalsContact O-N 3.15Å; Q75-Q77 VanDerWaalsContact C-N 3.33Å; Q75-Q77 PolarHBondContact O-N 3.49Å; Q77-A81 PolarHBondContact O-N 2.89Å |
| 78 | R | 48.1 | Very low | 50.6 | Low | 188 Ų | 188 | 130.9 Ų | 130.9 | 71% | 0.709 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -73.2 | -34.8 | 173.7 | -168.2 | 179.4 | -170.6 | 125.1 | 0.8 | 112.8 | F74 Q75 L76 A81 L82 | F74-R78 WeakPolarHBondContact O-CB 3.48Å; F74-R78 PolarHBondContact O-N 3.1Å; F74-R78 VanDerWaalsContact O-N 3.12Å; Q75-R78 PolarHBondContact O-N 2.97Å; L76-R78 VanDerWaalsContact C-N 3.31Å; L76-R78 PolarHBondContact O-N 3.38Å; R78-A81 PolarHBondContact O-N 2.97Å; R78-L82 PolarHBondContact O-N 2.89Å |
| 79 | N | 47.5 | Very low | 50.1 | Low | 91 Ų | 91 | 133.5 Ų | 133.5 | 49% | 0.487 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -73 | -32.9 | 177.1 | -77.8 | -45.9 | 0 | 0 | 0 | 112.1 | Q75 L76 A81 L82 N83 | Q75-N79 WeakPolarHBondContact O-CB 3.36Å; Q75-N79 PolarHBondContact O-N 3.32Å; Q75-N79 PolarHBondContact O-ND2 2.9Å; L76-N79 PolarHBondContact O-N 3.09Å; N79-A81 VanDerWaalsContact C-N 3.3Å; N79-A81 PolarHBondContact O-N 3.14Å; N79-L82 PolarHBondContact O-N 3.25Å; N79-N83 VanDerWaalsContact O-CB 3.29Å; N79-N83 WeakPolarHBondContact O-CB 3.37Å; N79-N83 PolarHBondContact O-N 2.93Å |
| 80 | E | 49.8 | Very low | 49.4 | Very low | 134 Ų | 134 | 131 Ų | 131 | 63% | 0.626 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -68.8 | -27.1 | 173.3 | -74.1 | 179.8 | 162 | 0 | 0 | 113.2 | L76 | L76-E80 PolarHBondContact O-N 2.87Å |
| 81 | A | 46.1 | Very low | 48.9 | Very low | 83 Ų | 83 | 129.7 Ų | 129.7 | 69% | 0.686 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.4 | -16.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q77 R78 N79 | Q77-A81 PolarHBondContact O-N 2.89Å; R78-A81 PolarHBondContact O-N 2.97Å; N79-A81 VanDerWaalsContact C-N 3.3Å; N79-A81 PolarHBondContact O-N 3.14Å |
| 82 | L | 48.4 | Very low | 48.9 | Very low | 143 Ų | 143 | 130.8 Ų | 130.8 | 75% | 0.749 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.8 | -9.9 | 178.1 | -68 | 176.2 | 0 | 0 | 0 | 113.6 | R78 N79 | R78-L82 PolarHBondContact O-N 2.89Å; N79-L82 PolarHBondContact O-N 3.25Å |
| 83 | N | 47.1 | Very low | 48.7 | Very low | 131 Ų | 131 | 137.3 Ų | 137.3 | 70% | 0.701 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -101.6 | 5.3 | -172.8 | -153.7 | -2.5 | 0 | 0 | 0 | 114.6 | N79 | N79-N83 VanDerWaalsContact O-CB 3.29Å; N79-N83 WeakPolarHBondContact O-CB 3.37Å; N79-N83 PolarHBondContact O-N 2.93Å |
| 84 | N | 46.7 | Very low | 47.9 | Very low | 127 Ų | 127 | 133.6 Ų | 133.6 | 68% | 0.679 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -121.3 | 91.9 | 177.3 | -77.4 | -54.7 | 0 | 0 | 0 | 112.2 | ||
| 85 | N | 49.4 | Very low | 48 | Very low | 117 Ų | 117 | 130.5 Ų | 130.5 | 63% | 0.626 | 68% | 0.684 | S | S | * | * | S | Bend | trans | 72.4 | 64.5 | 156 | -65.7 | -72.1 | 0 | 0 | 0 | 119.3 | ||
| 86 | V | 43 | Very low | 48.2 | Very low | 135 Ų | 135 | 131.1 Ų | 131.1 | 82% | 0.818 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -122.8 | 33.1 | 155 | -163.1 | 0 | 0 | 0 | 0 | 111.8 | ||
| 87 | Y | 44.9 | Very low | 48.5 | Very low | 232 Ų | 232 | 131.1 Ų | 131.1 | 91% | 0.91 | 69% | 0.692 | S | S | * | * | trans | -131.9 | 56.2 | 164 | -70.8 | -76.6 | 0 | 0 | 0 | 110.2 | ||||
| 88 | K | 40.9 | Very low | 49.3 | Very low | 166 Ų | 166 | 131.3 Ų | 131.3 | 72% | 0.722 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -124.9 | 93.6 | 158 | -76.3 | -168.3 | 178.8 | 177.7 | 0 | 108.8 | ||
| 89 | N | 44.4 | Very low | 50.4 | Low | 155 Ų | 155 | 127.2 Ų | 127.2 | 83% | 0.829 | 69% | 0.687 | S | S | * | * | trans | 37.7 | 86.5 | 146.5 | -59 | -60.9 | 0 | 0 | 0 | 115.4 | S91 | N89-S91 PolarHBondContact O-N 3.25Å; N89-S91 VanDerWaalsContact O-N 3.1Å | ||
| 90 | V | 41.7 | Very low | 51.6 | Low | 144 Ų | 144 | 126.7 Ų | 126.7 | 87% | 0.873 | 69% | 0.687 | S | S | * | * | trans | -77.3 | 95.1 | 163.1 | -176.5 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 91 | S | 43.5 | Very low | 52.5 | Low | 89 Ų | 89 | 125.1 Ų | 125.1 | 62% | 0.622 | 68% | 0.683 | S | S | * | * | trans | -70.8 | 138.4 | 160.7 | 179.2 | 0 | 0 | 0 | 0 | 108.8 | N89 Y93 | N89-S91 PolarHBondContact O-N 3.25Å; N89-S91 VanDerWaalsContact O-N 3.1Å; S91-Y93 PolarHBondContact O-N 3.08Å | ||
| 92 | P | 53.6 | Low | 53.9 | Low | 122 Ų | 122 | 123.1 Ų | 123.1 | 79% | 0.792 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -78.2 | 7.2 | -166.2 | -9.3 | 27 | 0 | 0 | 0 | 115.1 | ||
| 93 | Y | 51.5 | Low | 55.3 | Low | 223 Ų | 223 | 120.9 Ų | 120.9 | 88% | 0.875 | 66% | 0.659 | S | S | * | * | trans | -135.9 | 93.6 | -176 | -109.3 | -99.5 | 0 | 0 | 0 | 110.2 | S91 | S91-Y93 PolarHBondContact O-N 3.08Š| ||
| 94 | G | 46.9 | Very low | 56.6 | Low | 52 Ų | 52 | 118.8 Ų | 118.8 | 54% | 0.536 | 65% | 0.648 | S | S | . | * | trans | -176.5 | 72 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | N98 | G94-N98 PolarHBondContact O-ND2 3.49Š| ||
| 95 | S | 54.6 | Low | 57.9 | Low | 72 Ų | 72 | 115.5 Ų | 115.5 | 50% | 0.503 | 63% | 0.634 | S | S | . | * | 87.1 | 113.9 | 112.5 | -166.3 | 0 | 0 | 0 | 0 | 114.2 | N97 N98 | S95-N97 PolarHBondContact O-N 3.37Å; S95-N97 PolarHBondContact OG-ND2 3.08Å; S95-N98 PolarHBondContact O-N 3.43Å; S95-N98 VanDerWaalsContact O-N 3.15Å; S95-N98 PolarHBondContact O-ND2 3.34Å | |||
| 96 | L | 60.1 | Low | 59.3 | Low | 134 Ų | 134 | 114.1 Ų | 114.1 | 70% | 0.702 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.2 | -13.5 | -179.7 | -60.2 | -178.1 | 0 | 0 | 0 | 114.5 | N98 I99 V100 | L96-N98 VanDerWaalsContact C-N 3.25Å; L96-N98 PolarHBondContact O-N 2.91Å; L96-I99 HydrophobicContact CD2-CD1 3.93Å; L96-I99 WeakPolarHBondContact O-CB 3.1Å; L96-I99 PolarHBondContact O-N 3.46Å; L96-I99 VanDerWaalsContact O-N 3.09Å; L96-V100 PolarHBondContact O-N 3.25Å |
| 97 | N | 59.8 | Low | 60.9 | Low | 108 Ų | 108 | 111.7 Ų | 111.7 | 58% | 0.578 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -58.4 | -37.4 | 174.8 | -60.4 | -19.4 | 0 | 0 | 0 | 111.8 | S95 I99 V100 D101 | S95-N97 PolarHBondContact O-N 3.37Å; S95-N97 PolarHBondContact OG-ND2 3.08Å; N97-I99 PolarHBondContact O-N 3.22Å; N97-V100 PolarHBondContact O-N 3.46Å; N97-D101 PolarHBondContact O-N 2.89Å |
| 98 | N | 66.4 | Low | 62.1 | Low | 112 Ų | 112 | 105.7 Ų | 105.7 | 60% | 0.599 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -64.7 | -26.6 | 177.4 | -69.2 | -66.8 | 0 | 0 | 0 | 113.1 | G94 S95 L96 G102 | G94-N98 PolarHBondContact O-ND2 3.49Å; S95-N98 PolarHBondContact O-N 3.43Å; S95-N98 VanDerWaalsContact O-N 3.15Å; S95-N98 PolarHBondContact O-ND2 3.34Å; L96-N98 VanDerWaalsContact C-N 3.25Å; L96-N98 PolarHBondContact O-N 2.91Å; N98-G102 PolarHBondContact O-N 2.76Å; N98-G102 VanDerWaalsContact O-N 3.1Å |
| 99 | I | 71.3 | Confident | 63.4 | Low | 101 Ų | 101 | 102.9 Ų | 102.9 | 52% | 0.518 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -77.7 | -43.7 | 178.6 | -56.8 | 175.3 | 0 | 0 | 0 | 109.6 | L96 N97 D101 G102 L103 | L96-I99 HydrophobicContact CD2-CD1 3.93Å; L96-I99 WeakPolarHBondContact O-CB 3.1Å; L96-I99 PolarHBondContact O-N 3.46Å; L96-I99 VanDerWaalsContact O-N 3.09Å; N97-I99 PolarHBondContact O-N 3.22Å; I99-D101 VanDerWaalsContact C-N 3.34Å; I99-D101 PolarHBondContact O-N 3.37Å; I99-G102 PolarHBondContact O-N 3.25Å; I99-L103 HydrophobicContact CG2-CD1 4.05Å; I99-L103 HydrophobicContact CG2-CG 4.34Å; I99-L103 WeakPolarHBondContact O-CB 3.45Å; I99-L103 VanDerWaalsContact O-CG 3.27Å; I99-L103 WeakPolarHBondContact O-CG 3.42Å; I99-L103 PolarHBondContact O-N 3.41Å |
| 100 | V | 73.6 | Confident | 64.5 | Low | 81 Ų | 81 | 102 Ų | 102 | 49% | 0.491 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -62 | -44 | 177.2 | 170.2 | 0 | 0 | 0 | 0 | 110.9 | L96 N97 G102 L103 N104 | L96-V100 PolarHBondContact O-N 3.25Å; N97-V100 PolarHBondContact O-N 3.46Å; V100-G102 VanDerWaalsContact C-N 3.33Å; V100-G102 PolarHBondContact O-N 3.09Å; V100-L103 PolarHBondContact O-N 3.25Å; V100-N104 WeakPolarHBondContact O-CB 3.4Å; V100-N104 VanDerWaalsContact O-CG 3.29Å; V100-N104 PolarHBondContact O-N 3.21Å; V100-N104 PolarHBondContact O-ND2 2.94Å |
| 101 | D | 69.3 | Low | 65.6 | Low | 100 Ų | 100 | 99.1 Ų | 99.1 | 54% | 0.535 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -66.5 | -36.8 | 177.3 | -65.1 | -32.4 | 0 | 0 | 0 | 111.7 | N97 I99 S105 | N97-D101 PolarHBondContact O-N 2.89Å; I99-D101 VanDerWaalsContact C-N 3.34Å; I99-D101 PolarHBondContact O-N 3.37Å; D101-S105 WeakPolarHBondContact O-CB 3.32Å; D101-S105 PolarHBondContact O-N 2.87Å |
| 102 | G | 74.9 | Confident | 66.3 | Low | 41 Ų | 41 | 101.3 Ų | 101.3 | 42% | 0.423 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -64.6 | -38.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | N98 I99 V100 L106 | N98-G102 PolarHBondContact O-N 2.76Å; N98-G102 VanDerWaalsContact O-N 3.1Å; I99-G102 PolarHBondContact O-N 3.25Å; V100-G102 VanDerWaalsContact C-N 3.33Å; V100-G102 PolarHBondContact O-N 3.09Å; G102-L106 WeakPolarHBondContact O-CB 3.34Å; G102-L106 PolarHBondContact O-N 3.27Å |
| 103 | L | 77.9 | Confident | 66.6 | Low | 97 Ų | 97 | 101.5 Ų | 101.5 | 51% | 0.508 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -75.1 | -34.3 | 178 | -69.3 | 175.7 | 0 | 0 | 0 | 112.6 | I99 V100 L106 T107 | I99-L103 HydrophobicContact CG2-CD1 4.05Å; I99-L103 HydrophobicContact CG2-CG 4.34Å; I99-L103 WeakPolarHBondContact O-CB 3.45Å; I99-L103 VanDerWaalsContact O-CG 3.27Å; I99-L103 WeakPolarHBondContact O-CG 3.42Å; I99-L103 PolarHBondContact O-N 3.41Å; V100-L103 PolarHBondContact O-N 3.25Å; L103-L106 PolarHBondContact O-N 3.11Å; L103-T107 WeakPolarHBondContact O-CB 3.17Å; L103-T107 PolarHBondContact O-N 3.24Å; L103-T107 PolarHBondContact O-OG1 3.48Å |
| 104 | N | 74.3 | Confident | 66.9 | Low | 87 Ų | 87 | 95.8 Ų | 95.8 | 47% | 0.465 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -64.8 | -47.6 | 171.9 | -74.2 | -30.1 | 0 | 0 | 0 | 110.5 | V100 L106 T107 D108 | V100-N104 WeakPolarHBondContact O-CB 3.4Å; V100-N104 VanDerWaalsContact O-CG 3.29Å; V100-N104 PolarHBondContact O-N 3.21Å; V100-N104 PolarHBondContact O-ND2 2.94Å; N104-L106 VanDerWaalsContact C-N 3.31Å; N104-L106 PolarHBondContact O-N 3.48Å; N104-T107 WeakPolarHBondContact O-CB 3.32Å; N104-T107 PolarHBondContact O-N 2.86Å; N104-T107 VanDerWaalsContact O-N 3.14Å; N104-D108 PolarHBondContact O-N 3.38Å |
| 105 | S | 74.9 | Confident | 67 | Low | 57 Ų | 57 | 101.6 Ų | 101.6 | 40% | 0.399 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -59.2 | -41.7 | 174.6 | 174 | 0 | 0 | 0 | 0 | 111.7 | D101 D108 H109 | D101-S105 WeakPolarHBondContact O-CB 3.32Å; D101-S105 PolarHBondContact O-N 2.87Å; S105-D108 PolarHBondContact O-N 2.94Å; S105-H109 PolarHBondContact O-CD2 2.93Å; S105-H109 PolarHBondContact O-N 2.92Å; S105-H109 VanDerWaalsContact O-N 3.08Å |
| 106 | L | 76.9 | Confident | 66.6 | Low | 89 Ų | 89 | 103.3 Ų | 103.3 | 47% | 0.466 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -66 | -38.2 | 176.5 | -169.8 | 62.4 | 0 | 0 | 0 | 112.3 | G102 L103 N104 H109 F110 | G102-L106 WeakPolarHBondContact O-CB 3.34Å; G102-L106 PolarHBondContact O-N 3.27Å; L103-L106 PolarHBondContact O-N 3.11Å; N104-L106 VanDerWaalsContact C-N 3.31Å; N104-L106 PolarHBondContact O-N 3.48Å; L106-H109 PolarHBondContact O-N 3.36Å; L106-F110 HydrophobicContact CD1-CD2 4.21Å; L106-F110 HydrophobicContact CD1-CE2 4Å; L106-F110 HydrophobicContact CD2-CE2 4.3Å; L106-F110 HydrophobicContact CG-CD2 3.95Å; L106-F110 HydrophobicContact CG-CE2 3.9Å; L106-F110 WeakPolarHBondContact O-CD2 3.28Å; L106-F110 PolarHBondContact O-N 3.5Å |
| 107 | T | 77.8 | Confident | 66.1 | Low | 84 Ų | 84 | 102.1 Ų | 102.1 | 52% | 0.515 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -65.2 | -39.1 | 177.4 | -61.5 | 0 | 0 | 0 | 0 | 112 | L103 N104 H109 F110 S111 | L103-T107 WeakPolarHBondContact O-CB 3.17Å; L103-T107 PolarHBondContact O-N 3.24Å; L103-T107 PolarHBondContact O-OG1 3.48Å; N104-T107 WeakPolarHBondContact O-CB 3.32Å; N104-T107 PolarHBondContact O-N 2.86Å; N104-T107 VanDerWaalsContact O-N 3.14Å; T107-H109 VanDerWaalsContact C-N 3.34Å; T107-F110 PolarHBondContact O-N 3.48Å; T107-S111 PolarHBondContact O-N 3.06Å; T107-S111 VanDerWaalsContact O-N 3.08Å; T107-S111 PolarHBondContact O-OG 3.46Å |
| 108 | D | 70.1 | Confident | 65.5 | Low | 105 Ų | 105 | 103 Ų | 103 | 56% | 0.561 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -64.2 | -41.2 | 173.5 | -70.6 | -28.4 | 0 | 0 | 0 | 110.9 | N104 S105 F110 S111 D112 | N104-D108 PolarHBondContact O-N 3.38Å; S105-D108 PolarHBondContact O-N 2.94Å; D108-F110 PolarHBondContact O-N 3.32Å; D108-S111 WeakPolarHBondContact O-CB 3.14Å; D108-S111 PolarHBondContact O-N 3.46Å; D108-D112 PolarHBondContact O-N 3.17Å |
| 109 | H | 68.5 | Low | 64.5 | Low | 107 Ų | 107 | 103.7 Ų | 103.7 | 50% | 0.495 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -67.9 | -32.6 | 175.1 | -69.3 | -52.9 | 0 | 0 | 0 | 113.8 | S105 L106 T107 S111 D112 L113 | S105-H109 PolarHBondContact O-CD2 2.93Å; S105-H109 PolarHBondContact O-N 2.92Å; S105-H109 VanDerWaalsContact O-N 3.08Å; L106-H109 PolarHBondContact O-N 3.36Å; T107-H109 VanDerWaalsContact C-N 3.34Å; H109-S111 VanDerWaalsContact C-N 3.32Å; H109-D112 PolarHBondContact O-N 3.19Å; H109-L113 PolarHBondContact O-N 2.74Å |
| 110 | F | 66.8 | Low | 63.3 | Low | 138 Ų | 138 | 108.9 Ų | 108.9 | 61% | 0.605 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -69.4 | -31.4 | 173.1 | -94.9 | -79.9 | 0 | 0 | 0 | 112.6 | L106 T107 D108 D112 L113 | L106-F110 HydrophobicContact CD1-CD2 4.21Å; L106-F110 HydrophobicContact CD1-CE2 4Å; L106-F110 HydrophobicContact CD2-CE2 4.3Å; L106-F110 HydrophobicContact CG-CD2 3.95Å; L106-F110 HydrophobicContact CG-CE2 3.9Å; L106-F110 WeakPolarHBondContact O-CD2 3.28Å; L106-F110 PolarHBondContact O-N 3.5Å; T107-F110 PolarHBondContact O-N 3.48Å; D108-F110 PolarHBondContact O-N 3.32Å; F110-D112 PolarHBondContact O-N 3.21Å; F110-L113 PolarHBondContact O-N 2.82Å |
| 111 | S | 65.9 | Low | 62.1 | Low | 82 Ų | 82 | 113.5 Ų | 113.5 | 57% | 0.573 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -65.9 | -30 | 175.8 | -58 | 0 | 0 | 0 | 0 | 112 | T107 D108 H109 | T107-S111 PolarHBondContact O-N 3.06Å; T107-S111 VanDerWaalsContact O-N 3.08Å; T107-S111 PolarHBondContact O-OG 3.46Å; D108-S111 WeakPolarHBondContact O-CB 3.14Å; D108-S111 PolarHBondContact O-N 3.46Å; H109-S111 VanDerWaalsContact C-N 3.32Å |
| 112 | D | 58 | Low | 61.1 | Low | 136 Ų | 136 | 114.5 Ų | 114.5 | 73% | 0.727 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -80.2 | -16 | 177 | -78.9 | -20.1 | 0 | 0 | 0 | 114.2 | D108 H109 F110 | D108-D112 PolarHBondContact O-N 3.17Å; H109-D112 PolarHBondContact O-N 3.19Å; F110-D112 PolarHBondContact O-N 3.21Å |
| 113 | L | 59.2 | Low | 60.2 | Low | 125 Ų | 125 | 120.1 Ų | 120.1 | 65% | 0.654 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.7 | 2.1 | -179.6 | -70.3 | 170.5 | 0 | 0 | 0 | 114 | H109 F110 L115 | H109-L113 PolarHBondContact O-N 2.74Å; F110-L113 PolarHBondContact O-N 2.82Å; L113-L115 PolarHBondContact O-N 3.46Å |
| 114 | S | 57.2 | Low | 59.7 | Low | 103 Ų | 103 | 123.2 Ų | 123.2 | 72% | 0.72 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -69.9 | 92.7 | 170.7 | -178.7 | 0 | 0 | 0 | 0 | 110.2 | S116 | S114-S116 PolarHBondContact O-N 3.12Š|
| 115 | L | 49.4 | Very low | 59.7 | Low | 174 Ų | 174 | 129.4 Ų | 129.4 | 91% | 0.911 | 68% | 0.68 | S | S | * | * | trans | -54.7 | 96 | -178.1 | -64.2 | 170.9 | 0 | 0 | 0 | 113.5 | L113 | L113-L115 PolarHBondContact O-N 3.46Š| ||
| 116 | S | 46.3 | Very low | 60.2 | Low | 108 Ų | 108 | 127.4 Ų | 127.4 | 76% | 0.755 | 67% | 0.666 | S | S | * | * | trans | -129.2 | 99 | 149 | 164.8 | 0 | 0 | 0 | 0 | 107.1 | S114 E118 | S114-S116 PolarHBondContact O-N 3.12Å; S116-E118 PolarHBondContact O-N 3.29Å | ||
| 117 | S | 49.6 | Very low | 60.7 | Low | 110 Ų | 110 | 127 Ų | 127 | 77% | 0.769 | 67% | 0.669 | S | S | * | * | trans | -54.9 | 105.3 | 175.6 | 52 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 118 | E | 46.7 | Very low | 60.7 | Low | 126 Ų | 126 | 128.3 Ų | 128.3 | 59% | 0.589 | 68% | 0.679 | S | S | * | * | S | Bend | trans | 177.3 | 139.6 | 139.5 | -147.8 | 60.4 | -154.7 | 0 | 0 | 109.5 | S116 R120 | S116-E118 PolarHBondContact O-N 3.29Å; E118-R120 VanDerWaalsContact C-N 3.3Å; E118-R120 HydrophobicContact CB-CG 4.15Å; E118-R120 HydrophobicContact CG-CG 4.29Å; E118-R120 PolarHBondContact O-N 3.41Å |
| 119 | P | 46.1 | Very low | 61.6 | Low | 126 Ų | 126 | 130 Ų | 130 | 82% | 0.818 | 69% | 0.688 | S | S | * | * | trans | -73 | 83.2 | 175 | 30.5 | -34 | 0 | 0 | 0 | 110 | ||||
| 120 | R | 45.9 | Very low | 62.7 | Low | 210 Ų | 210 | 127.3 Ų | 127.3 | 79% | 0.792 | 67% | 0.673 | S | S | * | * | trans | -112.5 | 114.2 | 175.8 | -67.1 | -163 | -152.4 | 153.8 | 8.8 | 111.1 | E118 | E118-R120 VanDerWaalsContact C-N 3.3Å; E118-R120 HydrophobicContact CB-CG 4.15Å; E118-R120 HydrophobicContact CG-CG 4.29Å; E118-R120 PolarHBondContact O-N 3.41Å | ||
| 121 | K | 48.7 | Very low | 63.9 | Low | 179 Ų | 179 | 124.3 Ų | 124.3 | 78% | 0.778 | 66% | 0.663 | S | S | * | * | trans | 2.4 | 136.5 | 151.9 | -66.8 | 171.7 | 179.7 | 175.3 | 0 | 115.5 | N123 | K121-N123 PolarHBondContact O-N 3.02Å; K121-N123 VanDerWaalsContact O-N 3.17Å | ||
| 122 | P | 48.5 | Very low | 65 | Low | 120 Ų | 120 | 120.4 Ų | 120.4 | 78% | 0.779 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -48.7 | 125 | -177.6 | 21.4 | -33.2 | 0 | 0 | 0 | 110.4 | K124 | P122-K124 PolarHBondContact O-N 3.25Š|
| 123 | N | 55.4 | Low | 66.5 | Low | 160 Ų | 160 | 120.2 Ų | 120.2 | 86% | 0.856 | 63% | 0.631 | S | S | * | * | trans | -43.8 | 103.3 | -177.8 | -100.2 | -52.4 | 0 | 0 | 0 | 110.4 | K121 R125 | K121-N123 PolarHBondContact O-N 3.02Å; K121-N123 VanDerWaalsContact O-N 3.17Å; N123-R125 VanDerWaalsContact C-N 3.33Å; N123-R125 PolarHBondContact O-N 2.93Å | ||
| 124 | K | 66.9 | Low | 67.8 | Low | 161 Ų | 161 | 118.4 Ų | 118.4 | 70% | 0.7 | 62% | 0.621 | S | S | * | * | trans | -72.3 | 94.3 | 173.7 | -63.9 | -174 | -179.3 | -168.9 | 0 | 106.5 | P122 Y141 | P122-K124 PolarHBondContact O-N 3.25Å; K124-Y141 HydrophobicContact CB-CE2 4.38Å; K124-Y141 WeakPolarHBondContact O-CE2 3.15Å | ||
| 125 | R | 75.1 | Confident | 69.4 | Low | 217 Ų | 217 | 114.2 Ų | 114.2 | 82% | 0.819 | 59% | 0.592 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 137.9 | 165.6 | -67.5 | -174.2 | -178.2 | 176.7 | 1.6 | 107.7 | N123 | N123-R125 VanDerWaalsContact C-N 3.33Å; N123-R125 PolarHBondContact O-N 2.93Å |
| 126 | P | 85.9 | Confident | 71.4 | Confident | 15 Ų | 15 | 113 Ų | 113 | 10% | 0.097 | 58% | 0.579 | C | S | . | * | P | Polyproline II helix | trans | -57.6 | 153.8 | 175.8 | -16.3 | 24.3 | 0 | 0 | 0 | 111.5 | Y130 Y141 | P126-Y130 HydrophobicContact CB-CD1 3.41Å; P126-Y130 VanDerWaalsContact CB-CD1 3.41Å; P126-Y130 HydrophobicContact CB-CE1 4.27Å; P126-Y130 HydrophobicContact CB-CG 3.75Å; P126-Y130 HydrophobicContact CG-CD1 3.84Å; P126-Y130 HydrophobicContact CG-CE1 4.32Å; P126-Y141 HydrophobicContact CB-CD1 4.11Å; P126-Y141 HydrophobicContact CB-CE1 3.75Å; P126-Y141 HydrophobicContact CB-CE2 4.28Å; P126-Y141 HydrophobicContact CG-CD1 3.86Å; P126-Y141 HydrophobicContact CG-CD2 3.81Å; P126-Y141 HydrophobicContact CG-CE1 3.93Å; P126-Y141 HydrophobicContact CG-CE2 3.91Å; P126-Y141 HydrophobicContact CG-CG 3.79Å |
| 127 | P | 86.4 | Confident | 73.5 | Confident | 81 Ų | 81 | 111.9 Ų | 111.9 | 53% | 0.526 | 57% | 0.565 | S | S | . | * | P | Polyproline II helix | trans | -51.9 | 151.6 | 170.4 | -25.6 | 34.3 | 0 | 0 | 0 | 112 | N129 Y130 | P127-N129 PolarHBondContact O-N 2.93Å; P127-Y130 WeakPolarHBondContact O-CB 3.49Å; P127-Y130 PolarHBondContact O-N 3.26Å |
| 128 | P | 78.8 | Confident | 75.5 | Confident | 111 Ų | 111 | 113 Ų | 113 | 72% | 0.721 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.5 | -18.4 | -172.8 | 21.3 | -32 | 0 | 0 | 0 | 115.1 | ||
| 129 | N | 88.1 | Confident | 77.5 | Confident | 141 Ų | 141 | 109.7 Ų | 109.7 | 75% | 0.754 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.7 | -0.6 | 175.2 | -75.5 | -9.1 | 0 | 0 | 0 | 114 | P127 | P127-N129 PolarHBondContact O-N 2.93Š|
| 130 | Y | 90.9 | Very high | 79.7 | Confident | 50 Ų | 50 | 105.1 Ų | 105.1 | 20% | 0.196 | 52% | 0.523 | C | S | . | . | trans | -75.7 | 126.8 | 173.8 | 178.3 | -92.5 | 0 | 0 | 0 | 110.4 | P126 P127 H133 H140 Y141 | P126-Y130 HydrophobicContact CB-CD1 3.41Å; P126-Y130 VanDerWaalsContact CB-CD1 3.41Å; P126-Y130 HydrophobicContact CB-CE1 4.27Å; P126-Y130 HydrophobicContact CB-CG 3.75Å; P126-Y130 HydrophobicContact CG-CD1 3.84Å; P126-Y130 HydrophobicContact CG-CE1 4.32Å; P127-Y130 WeakPolarHBondContact O-CB 3.49Å; P127-Y130 PolarHBondContact O-N 3.26Å; Y130-H133 AromaticContact CE2-CD2 3.83Å; Y130-H133 AromaticContact CE2-NE2 3.79Å; Y130-H133 AromaticContact CZ-CD2 3.91Å; Y130-H140 VanDerWaalsContact CE1-O 3.28Å; Y130-H140 WeakPolarHBondContact CE1-O 3.37Å; Y130-Y141 HydrophobicContact CD1-CD1 4.31Å; Y130-Y141 AromaticContact CE1-CD1 3.84Å; Y130-Y141 HydrophobicContact CE1-CD1 3.84Å; Y130-Y141 HydrophobicContact CE1-CE1 4.48Å; Y130-Y141 HydrophobicContact CE2-CD1 4.4Å; Y130-Y141 AromaticContact CZ-CD1 3.88Å | ||
| 131 | L | 92.7 | Very high | 81.8 | Confident | 75 Ų | 75 | 98.8 Ų | 98.8 | 39% | 0.393 | 50% | 0.5 | S | S | . | . | B | Isolated β-bridge | trans | -104.7 | 135.1 | 169.1 | -59.3 | 175.9 | 0 | 0 | 0 | 108.5 | H133 K138 | L131-H133 PolarHBondContact O-CD2 2.67Å; L131-H133 PolarHBondContact O-N 3.07Å; L131-K138 HydrophobicContact CD2-CB 4.48Å; L131-K138 HydrophobicContact CD2-CD 4.3Å; L131-K138 HydrophobicContact CD2-CG 3.36Å |
| 132 | C | 88.8 | Confident | 83.7 | Confident | 0 Ų | 0 | 94 Ų | 94 | 0% | 0 | 48% | 0.482 | C | S | . | . | trans | -57.9 | 125.9 | 172.1 | 173.1 | 0 | 0 | 0 | 0 | 109.8 | L134 C135 F136 N137 H140 | C132-L134 PolarHBondContact O-N 3.35Å; C132-L134 VanDerWaalsContact O-N 3.09Å; C132-L134 PolarHBondContact SG-N 3.45Å; C132-C135 VanDerWaalsContact SG-SG 3.65Å; C132-F136 WeakPolarHBondContact O-CA 3.42Å; C132-F136 PolarHBondContact O-N 2.84Å; C132-N137 WeakPolarHBondContact CB-O 3.29Å; C132-N137 PolarHBondContact N-O 3.34Å; C132-H140 WeakPolarHBondContact CB-NE2 3.46Å; C132-H140 PolarHBondContact SG-NE2 3.16Å | ||
| 133 | H | 89.8 | Confident | 85.2 | Confident | 133 Ų | 133 | 97.2 Ų | 97.2 | 62% | 0.616 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -4 | -176.7 | -69.7 | -131.6 | 0 | 0 | 0 | 113.5 | Y130 L131 I142 | Y130-H133 AromaticContact CE2-CD2 3.83Å; Y130-H133 AromaticContact CE2-NE2 3.79Å; Y130-H133 AromaticContact CZ-CD2 3.91Å; L131-H133 PolarHBondContact O-CD2 2.67Å; L131-H133 PolarHBondContact O-N 3.07Å; H133-I142 HydrophobicContact CB-CD1 4.16Å |
| 134 | L | 87.1 | Confident | 86.6 | Confident | 87 Ų | 87 | 94.9 Ų | 94.9 | 46% | 0.455 | 47% | 0.471 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | -47.7 | 176.4 | -176.9 | 63.8 | 0 | 0 | 0 | 112.4 | C132 I142 C145 A148 | C132-L134 PolarHBondContact O-N 3.35Å; C132-L134 VanDerWaalsContact O-N 3.09Å; C132-L134 PolarHBondContact SG-N 3.45Å; L134-I142 HydrophobicContact CB-CD1 4.16Å; L134-I142 HydrophobicContact CB-CG1 3.99Å; L134-C145 HydrophobicContact CD2-CB 4.3Å; L134-A148 VanDerWaalsContact CD2-CA 3.46Å; L134-A148 HydrophobicContact CD2-CB 3.74Å |
| 135 | C | 89.6 | Confident | 87.6 | Confident | 15 Ų | 15 | 87.6 Ų | 87.6 | 10% | 0.101 | 44% | 0.44 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.5 | -2.5 | -175 | 68.3 | 0 | 0 | 0 | 0 | 114.2 | C132 N137 H140 C145 Q147 | C132-C135 VanDerWaalsContact SG-SG 3.65Å; C135-N137 PolarHBondContact O-N 2.9Å; C135-N137 VanDerWaalsContact O-N 3.09Å; C135-N137 PolarHBondContact O-ND2 3.2Å; C135-H140 PolarHBondContact SG-CE1 3.4Å; C135-H140 PolarHBondContact SG-NE2 3.15Å; C135-C145 PolarHBondContact SG-SG 2.73Å; C135-Q147 HydrophobicContact CB-CB 4.18Å; C135-Q147 HydrophobicContact CB-CG 4.17Å |
| 136 | F | 92.3 | Very high | 88 | Confident | 148 Ų | 148 | 82.6 Ų | 82.6 | 65% | 0.649 | 44% | 0.436 | S | S | * | . | trans | 57.5 | 18.8 | -176.9 | -58 | -84.6 | 0 | 0 | 0 | 115.2 | C132 | C132-F136 WeakPolarHBondContact O-CA 3.42Å; C132-F136 PolarHBondContact O-N 2.84Å | ||
| 137 | N | 90.1 | Very high | 87.7 | Confident | 84 Ų | 84 | 87.8 Ų | 87.8 | 45% | 0.449 | 46% | 0.459 | S | S | . | . | trans | -95.5 | 151.4 | 176 | -65.1 | -53.7 | 0 | 0 | 0 | 112.5 | C132 C135 | C132-N137 WeakPolarHBondContact CB-O 3.29Å; C132-N137 PolarHBondContact N-O 3.34Å; C135-N137 PolarHBondContact O-N 2.9Å; C135-N137 VanDerWaalsContact O-N 3.09Å; C135-N137 PolarHBondContact O-ND2 3.2Å | ||
| 138 | K | 91.4 | Very high | 87.5 | Confident | 135 Ų | 135 | 85.5 Ų | 85.5 | 59% | 0.587 | 45% | 0.447 | S | S | * | . | B | Isolated β-bridge | trans | -75.8 | 163.4 | 174.9 | -64.6 | -178.8 | -179.5 | -163.3 | 0 | 111.6 | L131 | L131-K138 HydrophobicContact CD2-CB 4.48Å; L131-K138 HydrophobicContact CD2-CD 4.3Å; L131-K138 HydrophobicContact CD2-CG 3.36Å |
| 139 | G | 89.8 | Confident | 87.2 | Confident | 56 Ų | 56 | 91.3 Ų | 91.3 | 58% | 0.577 | 45% | 0.454 | S | S | * | . | S | Bend | trans | 98.3 | -11.8 | 163.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||
| 140 | H | 90.9 | Very high | 86.2 | Confident | 30 Ų | 30 | 90 Ų | 90 | 14% | 0.139 | 45% | 0.453 | C | S | . | . | S | Bend | trans | -141.4 | 151.3 | 178.1 | 61.3 | -89 | 0 | 0 | 0 | 111.6 | Y130 C132 C135 D144 C145 | Y130-H140 VanDerWaalsContact CE1-O 3.28Å; Y130-H140 WeakPolarHBondContact CE1-O 3.37Å; C132-H140 WeakPolarHBondContact CB-NE2 3.46Å; C132-H140 PolarHBondContact SG-NE2 3.16Å; C135-H140 PolarHBondContact SG-CE1 3.4Å; C135-H140 PolarHBondContact SG-NE2 3.15Å; H140-D144 HydrophobicContact CB-CB 4.45Å; H140-C145 WeakPolarHBondContact CD2-CA 3.38Å; H140-C145 PolarHBondContact NE2-SG 3.5Å |
| 141 | Y | 91.1 | Very high | 84.8 | Confident | 77 Ų | 77 | 97.2 Ų | 97.2 | 30% | 0.302 | 49% | 0.486 | S | S | . | . | trans | -75.2 | 155.6 | 168.7 | -74 | -65.2 | 0 | 0 | 0 | 110 | K124 P126 Y130 K143 D144 C145 | K124-Y141 HydrophobicContact CB-CE2 4.38Å; K124-Y141 WeakPolarHBondContact O-CE2 3.15Å; P126-Y141 HydrophobicContact CB-CD1 4.11Å; P126-Y141 HydrophobicContact CB-CE1 3.75Å; P126-Y141 HydrophobicContact CB-CE2 4.28Å; P126-Y141 HydrophobicContact CG-CD1 3.86Å; P126-Y141 HydrophobicContact CG-CD2 3.81Å; P126-Y141 HydrophobicContact CG-CE1 3.93Å; P126-Y141 HydrophobicContact CG-CE2 3.91Å; P126-Y141 HydrophobicContact CG-CG 3.79Å; Y130-Y141 HydrophobicContact CD1-CD1 4.31Å; Y130-Y141 AromaticContact CE1-CD1 3.84Å; Y130-Y141 HydrophobicContact CE1-CD1 3.84Å; Y130-Y141 HydrophobicContact CE1-CE1 4.48Å; Y130-Y141 HydrophobicContact CE2-CD1 4.4Å; Y130-Y141 AromaticContact CZ-CD1 3.88Å; Y141-K143 PolarHBondContact O-N 3.15Å; Y141-D144 CarbonylContact O-C 3.6Å; Y141-D144 PolarHBondContact O-N 3.38Å; Y141-C145 PolarHBondContact O-N 3.03Å | ||
| 142 | I | 87.3 | Confident | 83.1 | Confident | 79 Ų | 79 | 95.7 Ų | 95.7 | 41% | 0.405 | 49% | 0.488 | S | S | . | . | G | 310 helix | trans | -49.5 | -29 | 176 | -171.8 | 170.7 | 0 | 0 | 0 | 114.1 | H133 L134 D144 C145 | H133-I142 HydrophobicContact CB-CD1 4.16Å; L134-I142 HydrophobicContact CB-CD1 4.16Å; L134-I142 HydrophobicContact CB-CG1 3.99Å; I142-D144 VanDerWaalsContact C-N 3.3Å; I142-D144 PolarHBondContact O-N 2.94Å; I142-C145 WeakPolarHBondContact O-CB 3.38Å; I142-C145 PolarHBondContact O-N 3.21Å |
| 143 | K | 81.5 | Confident | 82.1 | Confident | 187 Ų | 187 | 105.5 Ų | 105.5 | 81% | 0.813 | 53% | 0.534 | S | S | * | . | G | 310 helix | trans | -68 | -29.5 | 178 | -61.3 | -179.7 | -177.8 | 178 | 0 | 113.4 | Y141 | Y141-K143 PolarHBondContact O-N 3.15Š|
| 144 | D | 84.1 | Confident | 81.4 | Confident | 110 Ų | 110 | 100.3 Ų | 100.3 | 59% | 0.588 | 52% | 0.516 | S | S | * | . | G | 310 helix | trans | -109.2 | 20.7 | -175.4 | -44.4 | -55 | 0 | 0 | 0 | 110.3 | H140 Y141 I142 P146 | H140-D144 HydrophobicContact CB-CB 4.45Å; Y141-D144 CarbonylContact O-C 3.6Å; Y141-D144 PolarHBondContact O-N 3.38Å; I142-D144 VanDerWaalsContact C-N 3.3Å; I142-D144 PolarHBondContact O-N 2.94Å; D144-P146 WeakPolarHBondContact O-CD 2.9Å |
| 145 | C | 87.4 | Confident | 81.3 | Confident | 8 Ų | 8 | 101.4 Ų | 101.4 | 5% | 0.054 | 52% | 0.522 | C | S | . | . | trans | -71.1 | 123.5 | -177 | -175.6 | 0 | 0 | 0 | 0 | 110.3 | L134 C135 H140 Y141 I142 Q147 A148 | L134-C145 HydrophobicContact CD2-CB 4.3Å; C135-C145 PolarHBondContact SG-SG 2.73Å; H140-C145 WeakPolarHBondContact CD2-CA 3.38Å; H140-C145 PolarHBondContact NE2-SG 3.5Å; Y141-C145 PolarHBondContact O-N 3.03Å; I142-C145 WeakPolarHBondContact O-CB 3.38Å; I142-C145 PolarHBondContact O-N 3.21Å; C145-Q147 PolarHBondContact O-N 3.34Å; C145-A148 HydrophobicContact CB-CB 3.95Å; C145-A148 WeakPolarHBondContact O-CA 3.47Å; C145-A148 WeakPolarHBondContact O-CB 3.1Å; C145-A148 PolarHBondContact O-N 2.79Å | ||
| 146 | P | 83.8 | Confident | 81 | Confident | 113 Ų | 113 | 101.1 Ų | 101.1 | 73% | 0.734 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -21.4 | 178.5 | 27.6 | -35.1 | 0 | 0 | 0 | 112.4 | D144 | D144-P146 WeakPolarHBondContact O-CD 2.9Š|
| 147 | Q | 80.8 | Confident | 80.6 | Confident | 124 Ų | 124 | 98 Ų | 98 | 58% | 0.579 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | -7.4 | 171.1 | -61.9 | -172.3 | -8.6 | 0 | 0 | 112.8 | C135 C145 R149 | C135-Q147 HydrophobicContact CB-CB 4.18Å; C135-Q147 HydrophobicContact CB-CG 4.17Å; C145-Q147 PolarHBondContact O-N 3.34Å; Q147-R149 PolarHBondContact O-N 3.44Å; Q147-R149 VanDerWaalsContact O-N 3.11Å |
| 148 | A | 81.3 | Confident | 80.4 | Confident | 32 Ų | 32 | 96.1 Ų | 96.1 | 26% | 0.264 | 50% | 0.501 | S | S | . | . | S | Bend | trans | -63.4 | 119.8 | 170 | 0 | 0 | 0 | 0 | 0 | 107.5 | L134 C145 P150 | L134-A148 VanDerWaalsContact CD2-CA 3.46Å; L134-A148 HydrophobicContact CD2-CB 3.74Å; C145-A148 HydrophobicContact CB-CB 3.95Å; C145-A148 WeakPolarHBondContact O-CA 3.47Å; C145-A148 WeakPolarHBondContact O-CB 3.1Å; C145-A148 PolarHBondContact O-N 2.79Å; A148-P150 VanDerWaalsContact O-N 3.16Å |
| 149 | R | 73.6 | Confident | 80.2 | Confident | 233 Ų | 233 | 93.8 Ų | 93.8 | 88% | 0.879 | 49% | 0.492 | S | S | * | . | P | Polyproline II helix | trans | -53.8 | 127.6 | 160.4 | -63.6 | -172.7 | -161.5 | -148.2 | 3.3 | 105.5 | Q147 K151 | Q147-R149 PolarHBondContact O-N 3.44Å; Q147-R149 VanDerWaalsContact O-N 3.11Å; R149-K151 PolarHBondContact O-N 3.02Å |
| 150 | P | 66.1 | Low | 79.9 | Confident | 113 Ų | 113 | 92.4 Ų | 92.4 | 73% | 0.734 | 48% | 0.478 | S | S | * | . | P | Polyproline II helix | trans | -48.4 | 135.6 | 169.3 | 20 | -29.2 | 0 | 0 | 0 | 106.2 | A148 G152 | A148-P150 VanDerWaalsContact O-N 3.16Å; P150-G152 VanDerWaalsContact C-N 3.32Å; P150-G152 WeakPolarHBondContact O-CA 3.4Å; P150-G152 PolarHBondContact O-N 3.43Å |
| 151 | K | 60.8 | Low | 79.6 | Confident | 203 Ų | 203 | 100.7 Ų | 100.7 | 88% | 0.883 | 51% | 0.513 | S | S | * | . | S | Bend | trans | -41.9 | 108.5 | 169.2 | -72 | -85 | -176.5 | 176.6 | 0 | 104.5 | R149 | R149-K151 PolarHBondContact O-N 3.02Š|
| 152 | G | 58.3 | Low | 79.4 | Confident | 42 Ų | 42 | 104.9 Ų | 104.9 | 43% | 0.433 | 53% | 0.533 | S | S | . | . | trans | -51.2 | 150.7 | -164.5 | 0 | 0 | 0 | 0 | 0 | 109 | P150 G154 | P150-G152 VanDerWaalsContact C-N 3.32Å; P150-G152 WeakPolarHBondContact O-CA 3.4Å; P150-G152 PolarHBondContact O-N 3.43Å; G152-G154 PolarHBondContact O-N 2.83Å; G152-G154 VanDerWaalsContact O-O 3.13Å | ||
| 153 | E | 67.9 | Low | 79.5 | Confident | 207 Ų | 207 | 106 Ų | 106 | 97% | 0.967 | 53% | 0.533 | S | S | * | . | S | Bend | trans | -46.5 | -11.7 | -176.1 | -60.6 | 167.4 | -166.9 | 0 | 0 | 115.2 | ||
| 154 | G | 75.3 | Confident | 79.9 | Confident | 23 Ų | 23 | 97.1 Ų | 97.1 | 24% | 0.237 | 49% | 0.494 | C | S | . | . | S | Bend | trans | -79.1 | 150.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | G152 T156 Q159 N185 | G152-G154 PolarHBondContact O-N 2.83Å; G152-G154 VanDerWaalsContact O-O 3.13Å; G154-T156 PolarHBondContact O-N 2.85Å; G154-Q159 VanDerWaalsContact CA-NE2 3.35Å; G154-N185 WeakPolarHBondContact CA-OD1 3.25Å |
| 155 | L | 83 | Confident | 80.2 | Confident | 111 Ų | 111 | 96.5 Ų | 96.5 | 58% | 0.581 | 49% | 0.486 | S | S | * | . | S | Bend | trans | -73.3 | -6.7 | -174.7 | -59 | 174.3 | 0 | 0 | 0 | 113.7 | N185 Y198 | L155-N185 PolarHBondContact N-OD1 3.48Å; L155-Y198 HydrophobicContact CB-CD1 4.02Å; L155-Y198 HydrophobicContact CB-CE1 3.79Å; L155-Y198 HydrophobicContact CD1-CE1 3.87Å; L155-Y198 HydrophobicContact CD1-CE2 4.3Å; L155-Y198 VanDerWaalsContact CD1-OH 3.25Å; L155-Y198 WeakPolarHBondContact CD1-OH 3.23Å; L155-Y198 HydrophobicContact CG-CE1 4.49Å |
| 156 | T | 85.3 | Confident | 80.6 | Confident | 9 Ų | 9 | 96.2 Ų | 96.2 | 6% | 0.055 | 48% | 0.484 | C | S | . | . | S | Bend | trans | -129.9 | 154.1 | -174.8 | 66.2 | 0 | 0 | 0 | 0 | 113 | G154 Y158 Q159 A184 N185 Y198 P199 Q202 | G154-T156 PolarHBondContact O-N 2.85Å; T156-Y158 VanDerWaalsContact C-N 3.32Å; T156-Y158 PolarHBondContact O-N 3.21Å; T156-Y158 PolarHBondContact OG1-O 2.92Å; T156-Q159 PolarHBondContact O-NE2 3.1Å; T156-A184 WeakPolarHBondContact OG1-CA 3.42Å; T156-N185 PolarHBondContact OG1-N 3.16Å; T156-Y198 HydrophobicContact CG2-CD1 3.69Å; T156-Y198 HydrophobicContact CG2-CE1 4.5Å; T156-Y198 HydrophobicContact CG2-CG 4.5Å; T156-P199 HydrophobicContact CG2-CG 3.94Å; T156-Q202 PolarHBondContact OG1-OE1 2.79Å |
| 157 | P | 83.8 | Confident | 81.1 | Confident | 82 Ų | 82 | 92.4 Ų | 92.4 | 53% | 0.532 | 46% | 0.456 | S | S | . | . | S | Bend | trans | -61.4 | -34.8 | -179.9 | -25.2 | 34.7 | 0 | 0 | 0 | 114.8 | P199 | P157-P199 VanDerWaalsContact CD-O 3.3Å; P157-P199 WeakPolarHBondContact CD-O 3.24Å |
| 158 | Y | 83.9 | Confident | 81.8 | Confident | 44 Ų | 44 | 86.6 Ų | 86.6 | 17% | 0.173 | 43% | 0.429 | C | S | . | . | trans | -90.9 | 133.5 | 175.7 | 177.9 | -103.4 | 0 | 0 | 0 | 110.1 | T156 G160 K162 C164 A184 Q202 | T156-Y158 VanDerWaalsContact C-N 3.32Å; T156-Y158 PolarHBondContact O-N 3.21Å; T156-Y158 PolarHBondContact OG1-O 2.92Å; Y158-G160 VanDerWaalsContact CE1-CA 3.45Å; Y158-G160 WeakPolarHBondContact CE1-O 3.45Å; Y158-G160 WeakPolarHBondContact OH-CA 3.28Å; Y158-K162 WeakPolarHBondContact CE1-O 3.3Å; Y158-K162 PolarHBondContact OH-N 3.47Å; Y158-K162 VanDerWaalsContact OH-N 3.15Å; Y158-K162 PolarHBondContact OH-O 2.81Å; Y158-C164 HydrophobicContact CD1-CB 4.47Å; Y158-A184 HydrophobicContact CD1-CB 4.2Å; Y158-A184 WeakPolarHBondContact O-CA 3.49Å; Y158-A184 VanDerWaalsContact O-CB 3.25Å; Y158-A184 WeakPolarHBondContact O-CB 3.26Å; Y158-Q202 VanDerWaalsContact CB-OE1 3.23Å | ||
| 159 | Q | 88.4 | Confident | 82.5 | Confident | 87 Ų | 87 | 90 Ų | 90 | 41% | 0.407 | 44% | 0.438 | S | S | . | . | trans | -124 | 20.8 | -178.9 | -65.3 | -59.2 | -41.6 | 0 | 0 | 112 | G154 T156 N185 | G154-Q159 VanDerWaalsContact CA-NE2 3.35Å; T156-Q159 PolarHBondContact O-NE2 3.1Å; Q159-N185 PolarHBondContact NE2-OD1 2.88Å; Q159-N185 PolarHBondContact OE1-ND2 3.23Å; Q159-N185 PolarHBondContact OE1-OD1 3.32Å | ||
| 160 | G | 84.2 | Confident | 83.6 | Confident | 27 Ų | 27 | 79 Ų | 79 | 28% | 0.278 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -93.7 | 177.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y158 A184 | Y158-G160 VanDerWaalsContact CE1-CA 3.45Å; Y158-G160 WeakPolarHBondContact CE1-O 3.45Å; Y158-G160 WeakPolarHBondContact OH-CA 3.28Å; G160-A184 WeakPolarHBondContact O-CB 3.41Å |
| 161 | K | 84 | Confident | 85 | Confident | 203 Ų | 203 | 77.3 Ų | 77.3 | 88% | 0.883 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -91.7 | -13.4 | -175.2 | -60 | -179.2 | -179.2 | -177.5 | 0 | 114.6 | W183 | K161-W183 WeakPolarHBondContact O-CZ3 3.44Š|
| 162 | K | 86.4 | Confident | 86.7 | Confident | 166 Ų | 166 | 74.4 Ų | 74.4 | 72% | 0.722 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -91.7 | 156.3 | -175.9 | -67 | -174.9 | 177.3 | 179.7 | 0 | 111 | Y158 | Y158-K162 WeakPolarHBondContact CE1-O 3.3Å; Y158-K162 PolarHBondContact OH-N 3.47Å; Y158-K162 VanDerWaalsContact OH-N 3.15Å; Y158-K162 PolarHBondContact OH-O 2.81Å |
| 163 | R | 89.1 | Confident | 88.5 | Confident | 103 Ų | 103 | 74.1 Ų | 74.1 | 39% | 0.389 | 36% | 0.364 | S | S | . | . | trans | -60.5 | 147.8 | 167.4 | -67.2 | -175.8 | -173.4 | -170.4 | -2.5 | 110.2 | W183 L205 | R163-W183 HydrophobicContact CG-CD2 4.04Å; R163-W183 HydrophobicContact CG-CE3 4.15Å; R163-W183 HydrophobicContact CG-CH2 3.47Å; R163-W183 VanDerWaalsContact CG-CH2 3.47Å; R163-W183 HydrophobicContact CG-CZ2 3.33Å; R163-W183 HydrophobicContact CG-CZ3 3.86Å; R163-L205 HydrophobicContact CB-CD1 4.09Å | ||
| 164 | C | 89.8 | Confident | 89.9 | Confident | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 163.6 | 176.9 | 62.7 | 0 | 0 | 0 | 0 | 110.9 | Y158 G166 G180 S182 R203 | Y158-C164 HydrophobicContact CD1-CB 4.47Å; C164-G166 PolarHBondContact O-N 3.16Å; C164-G180 CarbonylContact O-C 3.52Å; C164-S182 PolarHBondContact N-O 3.49Å; C164-S182 WeakPolarHBondContact O-CB 3.44Å; C164-S182 PolarHBondContact O-N 3.49Å; C164-S182 VanDerWaalsContact O-N 3.12Å; C164-S182 PolarHBondContact SG-O 3.3Å; C164-R203 CarbonylContact C-O 3.55Å; C164-R203 WeakPolarHBondContact CA-O 3.44Å; C164-R203 VanDerWaalsContact CB-O 3.24Å; C164-R203 WeakPolarHBondContact CB-O 3.36Å |
| 165 | F | 92.1 | Very high | 90.8 | Very high | 97 Ų | 97 | 73.4 Ų | 73.4 | 43% | 0.425 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 116.1 | 167.6 | -90.3 | -68 | 0 | 0 | 0 | 109.9 | S179 Q202 R203 L205 | F165-S179 CarbonylContact C-O 3.59Å; F165-S179 WeakPolarHBondContact CA-O 3.19Å; F165-Q202 CarbonylContact O-C 3.49Å; F165-Q202 VanDerWaalsContact O-CA 3.26Å; F165-Q202 WeakPolarHBondContact O-CA 3.38Å; F165-R203 PolarHBondContact N-O 3.28Å; F165-R203 PolarHBondContact O-N 3.31Å; F165-L205 HydrophobicContact CD2-CD2 3.5Å; F165-L205 HydrophobicContact CD2-CG 3.66Å; F165-L205 HydrophobicContact CE2-CD2 3.18Å; F165-L205 HydrophobicContact CE2-CG 3.91Å; F165-L205 HydrophobicContact CG-CD2 4.44Å; F165-L205 HydrophobicContact CG-CG 4.41Å; F165-L205 HydrophobicContact CZ-CD2 3.9Å |
| 166 | G | 93.9 | Very high | 91.4 | Very high | 1 Ų | 1 | 75.1 Ų | 75.1 | 1% | 0.01 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 135.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | C164 Y168 M178 S179 S182 K201 | C164-G166 PolarHBondContact O-N 3.16Å; G166-Y168 WeakPolarHBondContact O-CD2 3.31Å; G166-Y168 WeakPolarHBondContact O-CE2 3.46Å; G166-M178 VanDerWaalsContact O-CA 3.32Å; G166-M178 WeakPolarHBondContact O-CA 3.25Å; G166-S179 PolarHBondContact N-O 3.36Å; G166-S179 PolarHBondContact O-N 3.19Å; G166-S182 VanDerWaalsContact N-CB 3.34Å; G166-K201 CarbonylContact C-O 3.58Å; G166-K201 WeakPolarHBondContact CA-O 3.38Å |
| 167 | E | 94.4 | Very high | 91.9 | Very high | 33 Ų | 33 | 76.3 Ų | 76.3 | 15% | 0.154 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 128.2 | 167.1 | -64.1 | 175.8 | -150.5 | 0 | 0 | 109.1 | M178 P199 H200 K201 R203 | E167-M178 HydrophobicContact CG-CG 4.16Å; E167-M178 HydrophobicContact CG-SD 4.32Å; E167-P199 CarbonylContact O-C 3.53Å; E167-P199 VanDerWaalsContact O-CA 3.24Å; E167-P199 WeakPolarHBondContact O-CA 3.27Å; E167-H200 VanDerWaalsContact C-ND1 3.33Å; E167-H200 VanDerWaalsContact CB-CE1 3.49Å; E167-H200 WeakPolarHBondContact CB-CE1 3.23Å; E167-H200 PolarHBondContact O-CE1 3.12Å; E167-H200 PolarHBondContact O-N 3.46Å; E167-H200 PolarHBondContact O-ND1 3.03Å; E167-H200 IonicContact OE2-NE2 3.98Å; E167-K201 HydrophobicContact CB-CB 4.2Å; E167-K201 HydrophobicContact CG-CB 4.46Å; E167-K201 PolarHBondContact N-O 3.48Å; E167-K201 WeakPolarHBondContact OE2-CD 3.33Å; E167-K201 IonicContact OE2-NZ 3.21Å; E167-K201 PolarHBondContact OE2-NZ 2.94Å; E167-R203 IonicContact OE1-CZ 3.47Å; E167-R203 IonicContact OE1-NE 3.43Å; E167-R203 PolarHBondContact OE1-NE 2.7Å; E167-R203 IonicContact OE1-NH2 2.79Å; E167-R203 PolarHBondContact OE1-NH2 3.44Å |
| 168 | Y | 95.6 | Very high | 92.3 | Very high | 2 Ų | 2 | 78.9 Ų | 78.9 | 1% | 0.008 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 149.2 | -173.6 | -63.3 | -99.4 | 0 | 0 | 0 | 110.8 | G166 K176 W177 S182 Q188 V197 P199 | G166-Y168 WeakPolarHBondContact O-CD2 3.31Å; G166-Y168 WeakPolarHBondContact O-CE2 3.46Å; Y168-K176 VanDerWaalsContact O-CA 3.28Å; Y168-K176 WeakPolarHBondContact O-CA 3.49Å; Y168-W177 VanDerWaalsContact CB-CD2 3.49Å; Y168-W177 VanDerWaalsContact CB-CZ2 3.43Å; Y168-W177 AromaticContact CD1-CZ2 3.94Å; Y168-W177 HydrophobicContact CD1-CZ2 3.94Å; Y168-W177 AromaticContact CD2-CD1 3.87Å; Y168-W177 AromaticContact CD2-NE1 3.57Å; Y168-W177 HydrophobicContact CG-CD2 4.28Å; Y168-W177 AromaticContact CG-CE2 3.59Å; Y168-W177 AromaticContact CG-CZ2 3.84Å; Y168-W177 HydrophobicContact CG-CZ2 3.84Å; Y168-W177 AromaticContact CG-NE1 3.46Å; Y168-W177 PolarHBondContact N-O 3.45Å; Y168-W177 PolarHBondContact O-N 2.95Å; Y168-S182 WeakPolarHBondContact OH-CB 3.32Å; Y168-S182 PolarHBondContact OH-OG 3Å; Y168-Q188 HydrophobicContact CD1-CB 4.33Å; Y168-Q188 HydrophobicContact CE1-CB 3.84Å; Y168-Q188 HydrophobicContact CE1-CG 3.91Å; Y168-Q188 PolarHBondContact OH-NE2 2.91Å; Y168-V197 HydrophobicContact CD1-CG1 4.4Å; Y168-V197 VanDerWaalsContact CD1-O 3.23Å; Y168-V197 WeakPolarHBondContact CD1-O 3.41Å; Y168-V197 VanDerWaalsContact CE1-O 3.27Å; Y168-V197 WeakPolarHBondContact CE1-O 3.12Å; Y168-P199 HydrophobicContact CD1-CB 4.13Å; Y168-P199 HydrophobicContact CD2-CB 4.48Å; Y168-P199 HydrophobicContact CE1-CB 3.8Å; Y168-P199 HydrophobicContact CE1-CG 4.09Å; Y168-P199 HydrophobicContact CE2-CB 4.14Å; Y168-P199 HydrophobicContact CG-CB 4.46Å |
| 169 | K | 96.9 | Very high | 92.6 | Very high | 105 Ų | 105 | 78 Ų | 78 | 46% | 0.457 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 112.7 | 172.9 | -177.4 | -178.2 | 179.5 | -173.7 | 0 | 109 | R175 K176 V197 | K169-R175 CarbonylContact C-O 3.46Å; K169-R175 WeakPolarHBondContact CA-O 3.46Å; K169-K176 HydrophobicContact CB-CG 4.32Å; K169-K176 HydrophobicContact CG-CG 4.1Å; K169-V197 WeakPolarHBondContact O-CG1 3.21Å |
| 170 | C | 96.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 75.2 Ų | 75.2 | 0% | 0 | 36% | 0.357 | C | S | . | . | trans | -64.9 | 128.1 | 179.6 | -179.1 | 0 | 0 | 0 | 0 | 110.3 | K172 C173 K174 R175 W177 C190 V197 | C170-K172 VanDerWaalsContact C-N 3.31Å; C170-K172 PolarHBondContact O-N 3.22Å; C170-K172 PolarHBondContact SG-N 3.39Å; C170-C173 VanDerWaalsContact CB-SG 3.56Å; C170-C173 PolarHBondContact SG-N 2.84Å; C170-K174 WeakPolarHBondContact O-CA 3.13Å; C170-K174 PolarHBondContact O-N 2.83Å; C170-R175 PolarHBondContact N-O 2.86Å; C170-W177 HydrophobicContact CB-CH2 4.11Å; C170-W177 HydrophobicContact CB-CZ3 3.78Å; C170-C190 HydrophobicContact CB-CB 4.24Å; C170-V197 HydrophobicContact CB-CG2 4.35Å | ||
| 171 | P | 96 | Very high | 92.9 | Very high | 78 Ų | 78 | 76.3 Ų | 76.3 | 51% | 0.506 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -29.4 | 178.5 | 27.1 | -34.1 | 0 | 0 | 0 | 112.5 | K174 I195 | P171-K174 WeakPolarHBondContact O-CE 3.43Å; P171-K174 PolarHBondContact O-NZ 3.01Å; P171-I195 HydrophobicContact CG-CD1 3.77Å |
| 172 | K | 96 | Very high | 93.3 | Very high | 142 Ų | 142 | 66.6 Ų | 66.6 | 62% | 0.617 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -68.5 | 179.1 | -69.1 | -174.9 | 179.2 | -179.1 | 0 | 112 | C170 C193 I195 | C170-K172 VanDerWaalsContact C-N 3.31Å; C170-K172 PolarHBondContact O-N 3.22Å; C170-K172 PolarHBondContact SG-N 3.39Å; K172-C193 HydrophobicContact CB-CB 4.35Å; K172-C193 HydrophobicContact CD-CB 4.28Å; K172-I195 HydrophobicContact CB-CD1 4.27Å; K172-I195 HydrophobicContact CD-CD1 3.8Å; K172-I195 HydrophobicContact CD-CG1 4.44Å; K172-I195 HydrophobicContact CD-CG2 4.11Å; K172-I195 HydrophobicContact CG-CD1 3.77Å |
| 173 | C | 96.1 | Very high | 93.5 | Very high | 36 Ų | 36 | 62.5 Ų | 62.5 | 24% | 0.243 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90 | 0.3 | -174.2 | 68.3 | 0 | 0 | 0 | 0 | 115.4 | C170 R175 K192 C193 | C170-C173 VanDerWaalsContact CB-SG 3.56Å; C170-C173 PolarHBondContact SG-N 2.84Å; C173-R175 PolarHBondContact O-N 2.74Å; C173-K192 HydrophobicContact CB-CD 3.94Å; C173-K192 HydrophobicContact CB-CG 4.39Å; C173-C193 VanDerWaalsContact CB-SG 3.52Å; C173-C193 VanDerWaalsContact SG-SG 3.64Å |
| 174 | K | 96.3 | Very high | 93.5 | Very high | 133 Ų | 133 | 58.6 Ų | 58.6 | 58% | 0.578 | 28% | 0.284 | S | S | * | . | trans | 60.6 | 3.6 | -179.8 | -48.1 | -54.1 | -175 | -168.2 | 0 | 116 | C170 P171 K176 | C170-K174 WeakPolarHBondContact O-CA 3.13Å; C170-K174 PolarHBondContact O-N 2.83Å; P171-K174 WeakPolarHBondContact O-CE 3.43Å; P171-K174 PolarHBondContact O-NZ 3.01Å; K174-K176 PolarHBondContact O-N 2.86Å | ||
| 175 | R | 94.8 | Very high | 93.5 | Very high | 82 Ų | 82 | 61.6 Ų | 61.6 | 31% | 0.309 | 30% | 0.3 | S | S | . | . | trans | -54.3 | 138 | 172.9 | -165.4 | -177.9 | 84 | 90.2 | -3.5 | 109.8 | K169 C170 C173 W177 | K169-R175 CarbonylContact C-O 3.46Å; K169-R175 WeakPolarHBondContact CA-O 3.46Å; C170-R175 PolarHBondContact N-O 2.86Å; C173-R175 PolarHBondContact O-N 2.74Å; R175-W177 HydrophobicContact CG-CE3 4.49Å; R175-W177 WeakPolarHBondContact O-CZ3 3.42Å | ||
| 176 | K | 96.4 | Very high | 93.3 | Very high | 148 Ų | 148 | 61.5 Ų | 61.5 | 64% | 0.643 | 30% | 0.302 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 145 | 172.7 | -61.6 | 177.5 | -174.7 | 173.9 | 0 | 109.2 | Y168 K169 K174 | Y168-K176 VanDerWaalsContact O-CA 3.28Å; Y168-K176 WeakPolarHBondContact O-CA 3.49Å; K169-K176 HydrophobicContact CB-CG 4.32Å; K169-K176 HydrophobicContact CG-CG 4.1Å; K174-K176 PolarHBondContact O-N 2.86Å |
| 177 | W | 95.3 | Very high | 93.2 | Very high | 33 Ų | 33 | 62.2 Ų | 62.2 | 13% | 0.125 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 165 | 173.4 | 66.1 | 101.2 | 0 | 0 | 0 | 110.2 | Y168 C170 R175 C190 V197 | Y168-W177 VanDerWaalsContact CB-CD2 3.49Å; Y168-W177 VanDerWaalsContact CB-CZ2 3.43Å; Y168-W177 AromaticContact CD1-CZ2 3.94Å; Y168-W177 HydrophobicContact CD1-CZ2 3.94Å; Y168-W177 AromaticContact CD2-CD1 3.87Å; Y168-W177 AromaticContact CD2-NE1 3.57Å; Y168-W177 HydrophobicContact CG-CD2 4.28Å; Y168-W177 AromaticContact CG-CE2 3.59Å; Y168-W177 AromaticContact CG-CZ2 3.84Å; Y168-W177 HydrophobicContact CG-CZ2 3.84Å; Y168-W177 AromaticContact CG-NE1 3.46Å; Y168-W177 PolarHBondContact N-O 3.45Å; Y168-W177 PolarHBondContact O-N 2.95Å; C170-W177 HydrophobicContact CB-CH2 4.11Å; C170-W177 HydrophobicContact CB-CZ3 3.78Å; R175-W177 HydrophobicContact CG-CE3 4.49Å; R175-W177 WeakPolarHBondContact O-CZ3 3.42Å; W177-C190 HydrophobicContact CH2-CB 3.95Å; W177-V197 HydrophobicContact CH2-CB 3.75Å; W177-V197 HydrophobicContact CH2-CG1 3.79Å; W177-V197 HydrophobicContact CH2-CG2 3.9Å; W177-V197 HydrophobicContact CZ2-CB 4.02Å; W177-V197 HydrophobicContact CZ2-CG1 4.25Å |
| 178 | M | 92.8 | Very high | 93.2 | Very high | 136 Ų | 136 | 62.6 Ų | 62.6 | 67% | 0.67 | 31% | 0.311 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 149.2 | 174.2 | -58.3 | -171.4 | -64.8 | 0 | 0 | 108.8 | G166 E167 | G166-M178 VanDerWaalsContact O-CA 3.32Å; G166-M178 WeakPolarHBondContact O-CA 3.25Å; E167-M178 HydrophobicContact CG-CG 4.16Å; E167-M178 HydrophobicContact CG-SD 4.32Å |
| 179 | S | 89.5 | Confident | 93.2 | Very high | 27 Ų | 27 | 67.6 Ų | 67.6 | 19% | 0.189 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 133.6 | 174.5 | -178.5 | 0 | 0 | 0 | 0 | 110.2 | F165 G166 N181 Q188 | F165-S179 CarbonylContact C-O 3.59Å; F165-S179 WeakPolarHBondContact CA-O 3.19Å; G166-S179 PolarHBondContact N-O 3.36Å; G166-S179 PolarHBondContact O-N 3.19Å; S179-N181 PolarHBondContact O-N 2.77Å; S179-N181 PolarHBondContact OG-N 3.37Å; S179-N181 VanDerWaalsContact OG-N 3.16Å; S179-Q188 PolarHBondContact OG-NE2 2.89Å |
| 180 | G | 90.2 | Very high | 93.1 | Very high | 28 Ų | 28 | 62.6 Ų | 62.6 | 29% | 0.289 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | -6.4 | 170.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | C164 S182 L205 | C164-G180 CarbonylContact O-C 3.52Å; G180-S182 PolarHBondContact O-N 3.19Å; G180-L205 WeakPolarHBondContact O-CD1 3.43Å |
| 181 | N | 89.3 | Confident | 93 | Very high | 49 Ų | 49 | 68.2 Ų | 68.2 | 26% | 0.262 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 50.5 | 176.4 | -166.9 | 31 | 0 | 0 | 0 | 110.9 | S179 W183 Q188 | S179-N181 PolarHBondContact O-N 2.77Å; S179-N181 PolarHBondContact OG-N 3.37Å; S179-N181 VanDerWaalsContact OG-N 3.16Å; N181-W183 PolarHBondContact OD1-NE1 3.34Å; N181-Q188 PolarHBondContact O-NE2 3.19Å |
| 182 | S | 91.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 134.5 | 175.3 | -159.6 | 0 | 0 | 0 | 0 | 110.4 | C164 G166 Y168 G180 Q202 | C164-S182 PolarHBondContact N-O 3.49Å; C164-S182 WeakPolarHBondContact O-CB 3.44Å; C164-S182 PolarHBondContact O-N 3.49Å; C164-S182 VanDerWaalsContact O-N 3.12Å; C164-S182 PolarHBondContact SG-O 3.3Å; G166-S182 VanDerWaalsContact N-CB 3.34Å; Y168-S182 WeakPolarHBondContact OH-CB 3.32Å; Y168-S182 PolarHBondContact OH-OG 3Å; G180-S182 PolarHBondContact O-N 3.19Å; S182-Q202 PolarHBondContact OG-NE2 3.4Å |
| 183 | W | 90.9 | Very high | 92.7 | Very high | 79 Ų | 79 | 66.9 Ų | 66.9 | 30% | 0.299 | 33% | 0.332 | S | S | . | . | trans | -122.2 | 159.7 | -179.3 | -63.4 | 94.2 | 0 | 0 | 0 | 110.8 | K161 R163 N181 N185 M186 Q202 | K161-W183 WeakPolarHBondContact O-CZ3 3.44Å; R163-W183 HydrophobicContact CG-CD2 4.04Å; R163-W183 HydrophobicContact CG-CE3 4.15Å; R163-W183 HydrophobicContact CG-CH2 3.47Å; R163-W183 VanDerWaalsContact CG-CH2 3.47Å; R163-W183 HydrophobicContact CG-CZ2 3.33Å; R163-W183 HydrophobicContact CG-CZ3 3.86Å; N181-W183 PolarHBondContact OD1-NE1 3.34Å; W183-N185 PolarHBondContact O-N 3.48Å; W183-M186 HydrophobicContact CB-CB 4.23Å; W183-M186 HydrophobicContact CB-CG 4.25Å; W183-M186 HydrophobicContact CB-SD 4.04Å; W183-M186 HydrophobicContact CG-SD 4.38Å; W183-Q202 PolarHBondContact O-NE2 2.95Å | ||
| 184 | A | 90.1 | Very high | 92.6 | Very high | 22 Ų | 22 | 71.1 Ų | 71.1 | 18% | 0.182 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | 135.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | T156 Y158 G160 M186 | T156-A184 WeakPolarHBondContact OG1-CA 3.42Å; Y158-A184 HydrophobicContact CD1-CB 4.2Å; Y158-A184 WeakPolarHBondContact O-CA 3.49Å; Y158-A184 VanDerWaalsContact O-CB 3.25Å; Y158-A184 WeakPolarHBondContact O-CB 3.26Å; G160-A184 WeakPolarHBondContact O-CB 3.41Å; A184-M186 PolarHBondContact O-N 2.76Å; A184-M186 VanDerWaalsContact O-N 3.1Å |
| 185 | N | 88.3 | Confident | 92.5 | Very high | 63 Ų | 63 | 66.4 Ų | 66.4 | 34% | 0.337 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.5 | 12.8 | 173.3 | -53.1 | -39.3 | 0 | 0 | 0 | 115.8 | G154 L155 T156 Q159 W183 | G154-N185 WeakPolarHBondContact CA-OD1 3.25Å; L155-N185 PolarHBondContact N-OD1 3.48Å; T156-N185 PolarHBondContact OG1-N 3.16Å; Q159-N185 PolarHBondContact NE2-OD1 2.88Å; Q159-N185 PolarHBondContact OE1-ND2 3.23Å; Q159-N185 PolarHBondContact OE1-OD1 3.32Å; W183-N185 PolarHBondContact O-N 3.48Å |
| 186 | M | 88.3 | Confident | 92.5 | Very high | 94 Ų | 94 | 66.6 Ų | 66.6 | 46% | 0.463 | 34% | 0.336 | S | S | . | . | trans | -116.5 | 140.6 | 175.9 | -59.2 | -173.7 | 83.4 | 0 | 0 | 111.1 | W183 A184 | W183-M186 HydrophobicContact CB-CB 4.23Å; W183-M186 HydrophobicContact CB-CG 4.25Å; W183-M186 HydrophobicContact CB-SD 4.04Å; W183-M186 HydrophobicContact CG-SD 4.38Å; A184-M186 PolarHBondContact O-N 2.76Å; A184-M186 VanDerWaalsContact O-N 3.1Å | ||
| 187 | G | 91.9 | Very high | 92.5 | Very high | 16 Ų | 16 | 59.8 Ų | 59.8 | 17% | 0.165 | 31% | 0.307 | C | S | . | . | trans | -98.9 | -179.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | N196 V197 | G187-N196 WeakPolarHBondContact CA-OD1 3.4Å; G187-V197 CarbonylContact C-O 3.6Å; G187-V197 WeakPolarHBondContact CA-O 3.24Å | ||
| 188 | Q | 94.1 | Very high | 92.5 | Very high | 42 Ų | 42 | 62.6 Ų | 62.6 | 20% | 0.196 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 146 | 170 | -73.5 | -176.9 | 1.6 | 0 | 0 | 109.4 | Y168 S179 N181 C190 N196 V197 | Y168-Q188 HydrophobicContact CD1-CB 4.33Å; Y168-Q188 HydrophobicContact CE1-CB 3.84Å; Y168-Q188 HydrophobicContact CE1-CG 3.91Å; Y168-Q188 PolarHBondContact OH-NE2 2.91Å; S179-Q188 PolarHBondContact OG-NE2 2.89Å; N181-Q188 PolarHBondContact O-NE2 3.19Å; Q188-C190 PolarHBondContact O-N 3.43Å; Q188-N196 PolarHBondContact N-OD1 2.99Å; Q188-V197 PolarHBondContact N-O 3.36Å; Q188-V197 PolarHBondContact O-N 2.87Å |
| 189 | E | 95.6 | Very high | 92.5 | Very high | 107 Ų | 107 | 56.3 Ų | 56.3 | 50% | 0.5 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 129.7 | 176.5 | -168.5 | -179.5 | 88.7 | 0 | 0 | 111.3 | I191 H194 I195 | E189-I191 PolarHBondContact O-N 3.45Å; E189-H194 HydrophobicContact CG-CB 4.42Å; E189-H194 IonicContact OE1-CE1 3.74Å; E189-H194 IonicContact OE1-CG 3.7Å; E189-H194 IonicContact OE1-ND1 2.76Å; E189-H194 PolarHBondContact OE1-ND1 3.45Å; E189-I195 WeakPolarHBondContact CA-O 3.28Å |
| 190 | C | 95.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 30% | 0.299 | C | S | . | . | trans | -73 | 113.3 | 169.3 | -179.7 | 0 | 0 | 0 | 0 | 110.6 | C170 W177 Q188 K192 C193 H194 I195 V197 | C170-C190 HydrophobicContact CB-CB 4.24Å; W177-C190 HydrophobicContact CH2-CB 3.95Å; Q188-C190 PolarHBondContact O-N 3.43Å; C190-K192 PolarHBondContact O-N 2.87Å; C190-C193 HydrophobicContact CB-CB 4.27Å; C190-C193 PolarHBondContact O-N 3.39Å; C190-H194 WeakPolarHBondContact O-CA 3.49Å; C190-H194 PolarHBondContact O-N 2.6Å; C190-I195 HydrophobicContact CB-CG1 4.3Å; C190-I195 PolarHBondContact N-O 2.91Å; C190-V197 HydrophobicContact CB-CG2 4.04Å | ||
| 191 | I | 93.4 | Very high | 92.7 | Very high | 118 Ų | 118 | 63.2 Ų | 63.2 | 61% | 0.605 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.3 | -20.4 | 178.2 | 66.6 | 174.1 | 0 | 0 | 0 | 116.6 | E189 | E189-I191 PolarHBondContact O-N 3.45Š|
| 192 | K | 92.6 | Very high | 92.7 | Very high | 156 Ų | 156 | 61.9 Ų | 61.9 | 68% | 0.678 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.3 | -28.5 | 179.5 | -179.2 | 170 | -179.4 | 177.1 | 0 | 112.8 | C173 C190 | C173-K192 HydrophobicContact CB-CD 3.94Å; C173-K192 HydrophobicContact CB-CG 4.39Å; C190-K192 PolarHBondContact O-N 2.87Å |
| 193 | C | 93.2 | Very high | 92.6 | Very high | 35 Ų | 35 | 68.4 Ų | 68.4 | 24% | 0.236 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117.3 | -9.2 | -170.1 | -66.3 | 0 | 0 | 0 | 0 | 113.3 | K172 C173 C190 I195 | K172-C193 HydrophobicContact CB-CB 4.35Å; K172-C193 HydrophobicContact CD-CB 4.28Å; C173-C193 VanDerWaalsContact CB-SG 3.52Å; C173-C193 VanDerWaalsContact SG-SG 3.64Å; C190-C193 HydrophobicContact CB-CB 4.27Å; C190-C193 PolarHBondContact O-N 3.39Å; C193-I195 HydrophobicContact CB-CG1 3.89Å; C193-I195 PolarHBondContact O-N 3.37Å |
| 194 | H | 95 | Very high | 92.4 | Very high | 126 Ų | 126 | 68.9 Ų | 68.9 | 58% | 0.583 | 34% | 0.337 | S | S | * | . | trans | 45.7 | 45.4 | -175.1 | -57.7 | -70.9 | 0 | 0 | 0 | 112.4 | E189 C190 | E189-H194 HydrophobicContact CG-CB 4.42Å; E189-H194 IonicContact OE1-CE1 3.74Å; E189-H194 IonicContact OE1-CG 3.7Å; E189-H194 IonicContact OE1-ND1 2.76Å; E189-H194 PolarHBondContact OE1-ND1 3.45Å; C190-H194 WeakPolarHBondContact O-CA 3.49Å; C190-H194 PolarHBondContact O-N 2.6Å | ||
| 195 | I | 94 | Very high | 91.8 | Very high | 34 Ų | 34 | 71.3 Ų | 71.3 | 17% | 0.174 | 35% | 0.347 | C | S | . | . | trans | -118.6 | 145 | 173.2 | 58.6 | 162.6 | 0 | 0 | 0 | 109.3 | P171 K172 E189 C190 C193 V197 | P171-I195 HydrophobicContact CG-CD1 3.77Å; K172-I195 HydrophobicContact CB-CD1 4.27Å; K172-I195 HydrophobicContact CD-CD1 3.8Å; K172-I195 HydrophobicContact CD-CG1 4.44Å; K172-I195 HydrophobicContact CD-CG2 4.11Å; K172-I195 HydrophobicContact CG-CD1 3.77Å; E189-I195 WeakPolarHBondContact CA-O 3.28Å; C190-I195 HydrophobicContact CB-CG1 4.3Å; C190-I195 PolarHBondContact N-O 2.91Å; C193-I195 HydrophobicContact CB-CG1 3.89Å; C193-I195 PolarHBondContact O-N 3.37Å; I195-V197 HydrophobicContact CD1-CG2 4.14Å; I195-V197 HydrophobicContact CG1-CG2 3.98Å; I195-V197 PolarHBondContact O-N 3.49Å | ||
| 196 | N | 95.6 | Very high | 91 | Very high | 85 Ų | 85 | 76.8 Ų | 76.8 | 46% | 0.455 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 126.6 | 171 | -173.1 | 36.3 | 0 | 0 | 0 | 110.4 | G187 Q188 Y198 | G187-N196 WeakPolarHBondContact CA-OD1 3.4Å; Q188-N196 PolarHBondContact N-OD1 2.99Å; N196-Y198 PolarHBondContact ND2-OH 3.47Å |
| 197 | V | 95.3 | Very high | 89.7 | Confident | 6 Ų | 6 | 80.6 Ų | 80.6 | 4% | 0.036 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 121.3 | -179.5 | 179.7 | 0 | 0 | 0 | 0 | 109.2 | Y168 K169 C170 W177 G187 Q188 C190 I195 | Y168-V197 HydrophobicContact CD1-CG1 4.4Å; Y168-V197 VanDerWaalsContact CD1-O 3.23Å; Y168-V197 WeakPolarHBondContact CD1-O 3.41Å; Y168-V197 VanDerWaalsContact CE1-O 3.27Å; Y168-V197 WeakPolarHBondContact CE1-O 3.12Å; K169-V197 WeakPolarHBondContact O-CG1 3.21Å; C170-V197 HydrophobicContact CB-CG2 4.35Å; W177-V197 HydrophobicContact CH2-CB 3.75Å; W177-V197 HydrophobicContact CH2-CG1 3.79Å; W177-V197 HydrophobicContact CH2-CG2 3.9Å; W177-V197 HydrophobicContact CZ2-CB 4.02Å; W177-V197 HydrophobicContact CZ2-CG1 4.25Å; G187-V197 CarbonylContact C-O 3.6Å; G187-V197 WeakPolarHBondContact CA-O 3.24Å; Q188-V197 PolarHBondContact N-O 3.36Å; Q188-V197 PolarHBondContact O-N 2.87Å; C190-V197 HydrophobicContact CB-CG2 4.04Å; I195-V197 HydrophobicContact CD1-CG2 4.14Å; I195-V197 HydrophobicContact CG1-CG2 3.98Å; I195-V197 PolarHBondContact O-N 3.49Å |
| 198 | Y | 95 | Very high | 87.9 | Confident | 91 Ų | 91 | 85 Ų | 85 | 36% | 0.357 | 41% | 0.41 | S | S | . | . | trans | -77.7 | 145.5 | 175.4 | -67.3 | -77.8 | 0 | 0 | 0 | 111.8 | L155 T156 N196 | L155-Y198 HydrophobicContact CB-CD1 4.02Å; L155-Y198 HydrophobicContact CB-CE1 3.79Å; L155-Y198 HydrophobicContact CD1-CE1 3.87Å; L155-Y198 HydrophobicContact CD1-CE2 4.3Å; L155-Y198 VanDerWaalsContact CD1-OH 3.25Å; L155-Y198 WeakPolarHBondContact CD1-OH 3.23Å; L155-Y198 HydrophobicContact CG-CE1 4.49Å; T156-Y198 HydrophobicContact CG2-CD1 3.69Å; T156-Y198 HydrophobicContact CG2-CE1 4.5Å; T156-Y198 HydrophobicContact CG2-CG 4.5Å; N196-Y198 PolarHBondContact ND2-OH 3.47Å | ||
| 199 | P | 93.9 | Very high | 85.8 | Confident | 4 Ų | 4 | 91.3 Ų | 91.3 | 3% | 0.026 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 135.6 | 174.9 | 29.1 | -34 | 0 | 0 | 0 | 110.3 | T156 P157 E167 Y168 Q202 | T156-P199 HydrophobicContact CG2-CG 3.94Å; P157-P199 VanDerWaalsContact CD-O 3.3Å; P157-P199 WeakPolarHBondContact CD-O 3.24Å; E167-P199 CarbonylContact O-C 3.53Å; E167-P199 VanDerWaalsContact O-CA 3.24Å; E167-P199 WeakPolarHBondContact O-CA 3.27Å; Y168-P199 HydrophobicContact CD1-CB 4.13Å; Y168-P199 HydrophobicContact CD2-CB 4.48Å; Y168-P199 HydrophobicContact CE1-CB 3.8Å; Y168-P199 HydrophobicContact CE1-CG 4.09Å; Y168-P199 HydrophobicContact CE2-CB 4.14Å; Y168-P199 HydrophobicContact CG-CB 4.46Å; P199-Q202 HydrophobicContact CB-CG 3.78Å; P199-Q202 VanDerWaalsContact CG-CD 3.43Å; P199-Q202 HydrophobicContact CG-CG 3.64Å |
| 200 | H | 92.1 | Very high | 84 | Confident | 93 Ų | 93 | 89.8 Ų | 89.8 | 43% | 0.431 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | -16.7 | 177.5 | 68.3 | -74 | 0 | 0 | 0 | 112.5 | E167 | E167-H200 VanDerWaalsContact C-ND1 3.33Å; E167-H200 VanDerWaalsContact CB-CE1 3.49Å; E167-H200 WeakPolarHBondContact CB-CE1 3.23Å; E167-H200 PolarHBondContact O-CE1 3.12Å; E167-H200 PolarHBondContact O-N 3.46Å; E167-H200 PolarHBondContact O-ND1 3.03Å; E167-H200 IonicContact OE2-NE2 3.98Å |
| 201 | K | 90.5 | Very high | 81.9 | Confident | 107 Ų | 107 | 96.5 Ų | 96.5 | 47% | 0.465 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 143.4 | 168.5 | -56.9 | -177.4 | -160.2 | 155.3 | 0 | 108.7 | G166 E167 | G166-K201 CarbonylContact C-O 3.58Å; G166-K201 WeakPolarHBondContact CA-O 3.38Å; E167-K201 HydrophobicContact CB-CB 4.2Å; E167-K201 HydrophobicContact CG-CB 4.46Å; E167-K201 PolarHBondContact N-O 3.48Å; E167-K201 WeakPolarHBondContact OE2-CD 3.33Å; E167-K201 IonicContact OE2-NZ 3.21Å; E167-K201 PolarHBondContact OE2-NZ 2.94Å |
| 202 | Q | 91 | Very high | 80 | Confident | 21 Ų | 21 | 94.5 Ų | 94.5 | 10% | 0.098 | 48% | 0.484 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 127.8 | 173.5 | -77.2 | 174.6 | -58 | 0 | 0 | 108.5 | T156 Y158 F165 S182 W183 P199 | T156-Q202 PolarHBondContact OG1-OE1 2.79Å; Y158-Q202 VanDerWaalsContact CB-OE1 3.23Å; F165-Q202 CarbonylContact O-C 3.49Å; F165-Q202 VanDerWaalsContact O-CA 3.26Å; F165-Q202 WeakPolarHBondContact O-CA 3.38Å; S182-Q202 PolarHBondContact OG-NE2 3.4Å; W183-Q202 PolarHBondContact O-NE2 2.95Å; P199-Q202 HydrophobicContact CB-CG 3.78Å; P199-Q202 VanDerWaalsContact CG-CD 3.43Å; P199-Q202 HydrophobicContact CG-CG 3.64Å |
| 203 | R | 88.9 | Confident | 78.2 | Confident | 137 Ų | 137 | 92.9 Ų | 92.9 | 52% | 0.517 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 125.5 | 180 | -71 | -175.9 | -81.7 | 159.3 | -5.9 | 108.6 | C164 F165 E167 L205 | C164-R203 CarbonylContact C-O 3.55Å; C164-R203 WeakPolarHBondContact CA-O 3.44Å; C164-R203 VanDerWaalsContact CB-O 3.24Å; C164-R203 WeakPolarHBondContact CB-O 3.36Å; F165-R203 PolarHBondContact N-O 3.28Å; F165-R203 PolarHBondContact O-N 3.31Å; E167-R203 IonicContact OE1-CZ 3.47Å; E167-R203 IonicContact OE1-NE 3.43Å; E167-R203 PolarHBondContact OE1-NE 2.7Å; E167-R203 IonicContact OE1-NH2 2.79Å; E167-R203 PolarHBondContact OE1-NH2 3.44Å; R203-L205 PolarHBondContact O-N 3.18Å |
| 204 | P | 86.3 | Confident | 76.2 | Confident | 89 Ų | 89 | 92.3 Ų | 92.3 | 58% | 0.578 | 48% | 0.483 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -49.9 | 139.9 | 174 | -26.6 | 35.2 | 0 | 0 | 0 | 111.1 | E206 | P204-E206 PolarHBondContact O-N 3.48Å |
| 205 | L | 77.6 | Confident | 74.1 | Confident | 73 Ų | 73 | 90.7 Ų | 90.7 | 38% | 0.382 | 48% | 0.479 | S | S | . | . | trans | -74.7 | 112 | 168.9 | -83.1 | 134 | 0 | 0 | 0 | 107.8 | R163 F165 G180 R203 | R163-L205 HydrophobicContact CB-CD1 4.09Å; F165-L205 HydrophobicContact CD2-CD2 3.5Å; F165-L205 HydrophobicContact CD2-CG 3.66Å; F165-L205 HydrophobicContact CE2-CD2 3.18Å; F165-L205 HydrophobicContact CE2-CG 3.91Å; F165-L205 HydrophobicContact CG-CD2 4.44Å; F165-L205 HydrophobicContact CG-CG 4.41Å; F165-L205 HydrophobicContact CZ-CD2 3.9Å; G180-L205 WeakPolarHBondContact O-CD1 3.43Å; R203-L205 PolarHBondContact O-N 3.18Å | ||
| 206 | E | 71.4 | Confident | 72.1 | Confident | 179 Ų | 179 | 95.1 Ų | 95.1 | 84% | 0.836 | 50% | 0.498 | S | S | * | . | P | Polyproline II helix | trans | -75.9 | 122.1 | 162.6 | -70.3 | 178.4 | -174.6 | 0 | 0 | 107.2 | P204 P208 | P204-E206 PolarHBondContact O-N 3.48Å; E206-P208 VanDerWaalsContact O-CD 3.28Å; E206-P208 WeakPolarHBondContact O-CD 3.15Å |
| 207 | K | 59.9 | Low | 70.1 | Confident | 174 Ų | 174 | 95.2 Ų | 95.2 | 76% | 0.757 | 51% | 0.506 | S | S | * | . | P | Polyproline II helix | trans | -79.6 | 116.2 | 167.4 | -64.4 | -173.9 | 179.5 | -169.6 | 0 | 105.9 | D209 | K207-D209 PolarHBondContact O-N 3.4Š|
| 208 | P | 54.3 | Low | 68.1 | Low | 107 Ų | 107 | 101.1 Ų | 101.1 | 70% | 0.695 | 53% | 0.531 | S | S | * | . | P | Polyproline II helix | trans | -57.7 | 125 | 159.3 | 24.1 | -28.9 | 0 | 0 | 0 | 106.7 | E206 G210 | E206-P208 VanDerWaalsContact O-CD 3.28Å; E206-P208 WeakPolarHBondContact O-CD 3.15Å; P208-G210 PolarHBondContact O-N 2.97Å |
| 209 | D | 51.5 | Low | 66 | Low | 176 Ų | 176 | 105.7 Ų | 105.7 | 94% | 0.941 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.3 | 105.7 | 179.8 | -155.7 | 17.2 | 0 | 0 | 0 | 107.9 | K207 | K207-D209 PolarHBondContact O-N 3.4Š|
| 210 | G | 57.4 | Low | 64.1 | Low | 74 Ų | 74 | 109.4 Ų | 109.4 | 76% | 0.763 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 92.8 | 46 | 168.2 | 0 | 0 | 0 | 0 | 0 | 118.9 | P208 | P208-G210 PolarHBondContact O-N 2.97Š|
| 211 | L | 50.8 | Low | 62.7 | Low | 141 Ų | 141 | 107.8 Ų | 107.8 | 74% | 0.738 | 57% | 0.571 | S | S | * | * | trans | -137.1 | 67.6 | 161.5 | -162.6 | 66.5 | 0 | 0 | 0 | 111.6 | V213 | L211-V213 HydrophobicContact CD1-CG2 3.78Å; L211-V213 HydrophobicContact CG-CG2 4.02Å; L211-V213 PolarHBondContact O-N 3.03Å | ||
| 212 | D | 53.8 | Low | 61.1 | Low | 76 Ų | 76 | 110.1 Ų | 110.1 | 41% | 0.406 | 58% | 0.583 | S | S | . | * | trans | -83.2 | 93.3 | 164.9 | -172.1 | 17.7 | 0 | 0 | 0 | 108.4 | S214 | D212-S214 WeakPolarHBondContact OD1-CB 3.05Å; D212-S214 PolarHBondContact OD1-N 3.28Å | ||
| 213 | V | 55.7 | Low | 59.4 | Low | 123 Ų | 123 | 116.8 Ų | 116.8 | 75% | 0.745 | 61% | 0.614 | S | S | * | * | trans | -118.7 | 37.4 | 162.9 | -146.5 | 0 | 0 | 0 | 0 | 109.5 | L211 | L211-V213 HydrophobicContact CD1-CG2 3.78Å; L211-V213 HydrophobicContact CG-CG2 4.02Å; L211-V213 PolarHBondContact O-N 3.03Å | ||
| 214 | S | 50.3 | Low | 57.8 | Low | 22 Ų | 22 | 116 Ų | 116 | 15% | 0.154 | 62% | 0.619 | C | S | . | * | S | Bend | trans | -89.9 | 122.6 | 171.6 | -78 | 0 | 0 | 0 | 0 | 107.5 | D212 Q216 I239 V240 | D212-S214 WeakPolarHBondContact OD1-CB 3.05Å; D212-S214 PolarHBondContact OD1-N 3.28Å; S214-Q216 PolarHBondContact O-N 3.43Å; S214-I239 VanDerWaalsContact CB-C 3.47Å; S214-I239 WeakPolarHBondContact OG-CG2 3.45Å; S214-V240 CarbonylContact C-O 3.32Å; S214-V240 WeakPolarHBondContact CA-O 3.27Å; S214-V240 WeakPolarHBondContact CB-O 3.06Å; S214-V240 VanDerWaalsContact CB-OXT 3.27Å; S214-V240 WeakPolarHBondContact CB-OXT 3.44Å; S214-V240 WeakPolarHBondContact OG-CA 3.13Å; S214-V240 PolarHBondContact OG-N 2.9Å; S214-V240 PolarHBondContact OG-O 3.17Å; S214-V240 PolarHBondContact OG-OXT 2.77Å |
| 215 | D | 50.3 | Low | 56.5 | Low | 93 Ų | 93 | 112.6 Ų | 112.6 | 50% | 0.497 | 60% | 0.598 | S | S | . | * | trans | -69.1 | 104.4 | -172.2 | -162 | -20.4 | 0 | 0 | 0 | 108.1 | S217 K218 V240 | D215-S217 VanDerWaalsContact CG-OG 3.25Å; D215-S217 PolarHBondContact O-N 3.41Å; D215-S217 PolarHBondContact OD1-OG 3.5Å; D215-K218 PolarHBondContact O-N 2.88Å; D215-V240 PolarHBondContact N-O 2.97Å | ||
| 216 | Q | 52.8 | Low | 55.7 | Low | 126 Ų | 126 | 116.9 Ų | 116.9 | 59% | 0.589 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.8 | -7.3 | -175.8 | -60.5 | 178.9 | 8.8 | 0 | 0 | 113.2 | S214 | S214-Q216 PolarHBondContact O-N 3.43Š|
| 217 | S | 53.1 | Low | 54.7 | Low | 88 Ų | 88 | 113 Ų | 113 | 62% | 0.615 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.2 | -9.4 | 176 | 69.2 | 0 | 0 | 0 | 0 | 114.6 | D215 E219 | D215-S217 VanDerWaalsContact CG-OG 3.25Å; D215-S217 PolarHBondContact O-N 3.41Å; D215-S217 PolarHBondContact OD1-OG 3.5Å; S217-E219 PolarHBondContact O-N 3.36Å |
| 218 | K | 53.7 | Low | 54.2 | Low | 129 Ų | 129 | 113.8 Ų | 113.8 | 56% | 0.561 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -78.4 | 112.2 | -179.6 | -84.6 | -178.6 | -179.5 | 164.7 | 0 | 111.7 | D215 H220 | D215-K218 PolarHBondContact O-N 2.88Å; K218-H220 PolarHBondContact O-N 3.06Å |
| 219 | E | 51.5 | Low | 53.8 | Low | 188 Ų | 188 | 113.8 Ų | 113.8 | 88% | 0.879 | 60% | 0.602 | S | S | * | * | trans | -56.7 | 128.8 | 174.2 | -66 | -170.3 | 169 | 0 | 0 | 111.6 | S217 | S217-E219 PolarHBondContact O-N 3.36Š| ||
| 220 | H | 53.4 | Low | 53.1 | Low | 81 Ų | 81 | 110.3 Ų | 110.3 | 38% | 0.375 | 58% | 0.584 | S | S | . | * | trans | -59.5 | 129.8 | 175.1 | 165.1 | 65.9 | 0 | 0 | 0 | 110.5 | K218 Q222 C225 | K218-H220 PolarHBondContact O-N 3.06Å; H220-Q222 VanDerWaalsContact C-N 3.31Å; H220-Q222 PolarHBondContact O-N 3.32Å; H220-C225 WeakPolarHBondContact NE2-CB 3.43Å; H220-C225 PolarHBondContact NE2-SG 3.09Å | ||
| 221 | P | 62.3 | Low | 52.6 | Low | 60 Ų | 60 | 113.7 Ų | 113.7 | 39% | 0.39 | 58% | 0.584 | S | S | . | * | trans | -71.4 | 86.5 | 176.7 | 26.7 | -32.5 | 0 | 0 | 0 | 111 | H223 L224 | P221-H223 PolarHBondContact O-N 2.79Å; P221-L224 HydrophobicContact CB-CD1 4.21Å; P221-L224 HydrophobicContact CG-CD1 4.34Å; P221-L224 PolarHBondContact O-N 3Å; P221-L224 VanDerWaalsContact O-N 3.09Å | ||
| 222 | Q | 57.1 | Low | 52.3 | Low | 156 Ų | 156 | 113.8 Ų | 113.8 | 73% | 0.729 | 58% | 0.576 | S | S | * | * | G | 310 helix | trans | -58.2 | -31.6 | -176.7 | -71.9 | 176.5 | 5.5 | 0 | 0 | 113.2 | H220 L224 C225 | H220-Q222 VanDerWaalsContact C-N 3.31Å; H220-Q222 PolarHBondContact O-N 3.32Å; Q222-L224 PolarHBondContact O-N 2.99Å; Q222-C225 PolarHBondContact O-N 3.22Å |
| 223 | H | 54.9 | Low | 51.9 | Low | 161 Ų | 161 | 113.3 Ų | 113.3 | 75% | 0.745 | 58% | 0.578 | S | S | * | * | G | 310 helix | trans | -63.1 | -8.7 | 177.9 | 74.5 | -82 | 0 | 0 | 0 | 114.2 | P221 | P221-H223 PolarHBondContact O-N 2.79Š|
| 224 | L | 56.5 | Low | 51.4 | Low | 120 Ų | 120 | 113.9 Ų | 113.9 | 63% | 0.628 | 58% | 0.576 | S | S | * | * | G | 310 helix | trans | -111.2 | 3.4 | 177.7 | -57.8 | 175.8 | 0 | 0 | 0 | 112.8 | P221 Q222 | P221-L224 HydrophobicContact CB-CD1 4.21Å; P221-L224 HydrophobicContact CG-CD1 4.34Å; P221-L224 PolarHBondContact O-N 3Å; P221-L224 VanDerWaalsContact O-N 3.09Å; Q222-L224 PolarHBondContact O-N 2.99Å |
| 225 | C | 59.3 | Low | 50.9 | Low | 18 Ų | 18 | 119.8 Ų | 119.8 | 12% | 0.122 | 60% | 0.601 | C | S | . | * | trans | -119.8 | 109.2 | -172.6 | -167.4 | 0 | 0 | 0 | 0 | 110.9 | H220 Q222 K227 | H220-C225 WeakPolarHBondContact NE2-CB 3.43Å; H220-C225 PolarHBondContact NE2-SG 3.09Å; Q222-C225 PolarHBondContact O-N 3.22Å; C225-K227 VanDerWaalsContact C-N 3.26Å; C225-K227 PolarHBondContact O-N 2.69Å | ||
| 226 | E | 60.4 | Low | 50.9 | Low | 163 Ų | 163 | 121 Ų | 121 | 76% | 0.762 | 60% | 0.604 | S | S | * | * | trans | -85.5 | 9.2 | -177.2 | -65.6 | 178.7 | 169.3 | 0 | 0 | 113.7 | F228 | E226-F228 VanDerWaalsContact C-N 3.28Å; E226-F228 PolarHBondContact O-N 2.85Å | ||
| 227 | K | 49.6 | Very low | 50.3 | Low | 98 Ų | 98 | 117.9 Ų | 117.9 | 43% | 0.426 | 60% | 0.596 | S | S | . | * | trans | -84.1 | 76.5 | 172.1 | -162.5 | -178 | -179 | -173.7 | 0 | 109 | C225 S229 | C225-K227 VanDerWaalsContact C-N 3.26Å; C225-K227 PolarHBondContact O-N 2.69Å; K227-S229 PolarHBondContact O-N 2.95Å | ||
| 228 | F | 49.5 | Very low | 49.7 | Very low | 189 Ų | 189 | 115.7 Ų | 115.7 | 83% | 0.829 | 58% | 0.58 | S | S | * | * | trans | -72.3 | 126.4 | 171.1 | -92.3 | -91.8 | 0 | 0 | 0 | 110.1 | E226 | E226-F228 VanDerWaalsContact C-N 3.28Å; E226-F228 PolarHBondContact O-N 2.85Å | ||
| 229 | S | 44.9 | Very low | 49.1 | Very low | 108 Ų | 108 | 114.4 Ų | 114.4 | 76% | 0.755 | 58% | 0.579 | S | S | * | * | S | Bend | trans | 72 | 62.6 | 161.2 | -165.4 | 0 | 0 | 0 | 0 | 117.8 | K227 | K227-S229 PolarHBondContact O-N 2.95Š|
| 230 | D | 38.3 | Very low | 48.4 | Very low | 103 Ų | 103 | 111.3 Ų | 111.3 | 55% | 0.551 | 57% | 0.572 | S | S | * | * | trans | -147.1 | 144.5 | 147.6 | -74.5 | -49.3 | 0 | 0 | 0 | 109 | Y232 C233 | D230-Y232 HydrophobicContact CB-CD2 4.07Å; D230-Y232 PolarHBondContact O-N 3.28Å; D230-C233 PolarHBondContact O-N 2.76Å | ||
| 231 | D | 45.4 | Very low | 48.2 | Very low | 145 Ų | 145 | 112.8 Ų | 112.8 | 78% | 0.775 | 58% | 0.582 | S | S | * | * | G | 310 helix | trans | -50.1 | -4.4 | 178.8 | -67.6 | -40 | 0 | 0 | 0 | 115.6 | C233 L234 | D231-C233 VanDerWaalsContact C-N 3.25Å; D231-C233 PolarHBondContact O-N 3.48Å; D231-L234 PolarHBondContact O-N 3.39Å |
| 232 | Y | 45 | Very low | 47.5 | Very low | 142 Ų | 142 | 115.6 Ų | 115.6 | 56% | 0.557 | 59% | 0.592 | S | S | * | * | G | 310 helix | trans | -63.7 | -17.6 | 171.4 | -84 | -86.9 | 0 | 0 | 0 | 115.6 | D230 L234 | D230-Y232 HydrophobicContact CB-CD2 4.07Å; D230-Y232 PolarHBondContact O-N 3.28Å; Y232-L234 VanDerWaalsContact C-N 3.34Å |
| 233 | C | 45.8 | Very low | 46.9 | Very low | 67 Ų | 67 | 113.3 Ų | 113.3 | 45% | 0.453 | 58% | 0.584 | S | S | . | * | G | 310 helix | trans | -73.5 | -25 | 177.4 | -76.5 | 0 | 0 | 0 | 0 | 113 | D230 D231 | D230-C233 PolarHBondContact O-N 2.76Å; D231-C233 VanDerWaalsContact C-N 3.25Å; D231-C233 PolarHBondContact O-N 3.48Å |
| 234 | L | 44.7 | Very low | 46.5 | Very low | 134 Ų | 134 | 110.5 Ų | 110.5 | 70% | 0.702 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79 | -25.8 | -179.2 | -78.9 | 160 | 0 | 0 | 0 | 113.1 | D231 Y232 H236 S237 | D231-L234 PolarHBondContact O-N 3.39Å; Y232-L234 VanDerWaalsContact C-N 3.34Å; L234-H236 VanDerWaalsContact C-N 3.31Å; L234-H236 PolarHBondContact O-N 2.63Å; L234-S237 PolarHBondContact O-OG 3.49Å |
| 235 | E | 41.3 | Very low | 45.8 | Very low | 146 Ų | 146 | 109.9 Ų | 109.9 | 68% | 0.682 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82 | -8.9 | -176.3 | -145.9 | -179.9 | -163.8 | 0 | 0 | 113.7 | ||
| 236 | H | 49.3 | Very low | 44.9 | Very low | 119 Ų | 119 | 116.1 Ų | 116.1 | 55% | 0.551 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.8 | 20.7 | -177.7 | -69.6 | 84.2 | 0 | 0 | 0 | 113 | L234 S238 | L234-H236 VanDerWaalsContact C-N 3.31Å; L234-H236 PolarHBondContact O-N 2.63Å; H236-S238 PolarHBondContact O-N 3.13Å |
| 237 | S | 41 | Very low | 43.8 | Very low | 60 Ų | 60 | 112.7 Ų | 112.7 | 42% | 0.42 | 59% | 0.59 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -71.3 | -10.5 | 171.8 | 56.5 | 0 | 0 | 0 | 0 | 113.4 | L234 | L234-S237 PolarHBondContact O-OG 3.49Š|
| 238 | S | 39.2 | Very low | 43.4 | Very low | 42 Ų | 42 | 113.8 Ų | 113.8 | 29% | 0.294 | 60% | 0.603 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -92.4 | 0.3 | -167.7 | -53.8 | 0 | 0 | 0 | 0 | 116.9 | H236 | H236-S238 PolarHBondContact O-N 3.13Š|
| 239 | I | 41.9 | Very low | 42.9 | Very low | 103 Ų | 103 | 107.6 Ų | 107.6 | 53% | 0.528 | 58% | 0.584 | S | S | . | * | trans | -141.2 | 76.2 | -176.2 | -43.8 | 179 | 0 | 0 | 0 | 113.5 | S214 | S214-I239 VanDerWaalsContact CB-C 3.47Å; S214-I239 WeakPolarHBondContact OG-CG2 3.45Å | ||
| 240 | V | 37.7 | Very low | 42.7 | Very low | 122 Ų | 122 | 107.5 Ų | 107.5 | 74% | 0.739 | 57% | 0.568 | S | S | * | * | trans | -119.9 | 0 | 148.6 | -171.1 | 0 | 0 | 0 | 0 | 113.7 | S214 D215 | S214-V240 CarbonylContact C-O 3.32Å; S214-V240 WeakPolarHBondContact CA-O 3.27Å; S214-V240 WeakPolarHBondContact CB-O 3.06Å; S214-V240 VanDerWaalsContact CB-OXT 3.27Å; S214-V240 WeakPolarHBondContact CB-OXT 3.44Å; S214-V240 WeakPolarHBondContact OG-CA 3.13Å; S214-V240 PolarHBondContact OG-N 2.9Å; S214-V240 PolarHBondContact OG-O 3.17Å; S214-V240 PolarHBondContact OG-OXT 2.77Å; D215-V240 PolarHBondContact N-O 2.97Å |
Retrieved 240 of 240 residues in 47.8 ms
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