| 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 | 47.1 | Very low | 49.9 | Very low | 239 Ų | 239 | 151.1 Ų | 151.1 | 100% | 1.177 | 86% | 0.859 | S | S | * | * | 0 | 126.6 | 0 | -74.4 | 150.9 | 173.5 | 0 | 0 | 107.9 | |||||
| 2 | K | 43.5 | Very low | 49.3 | Very low | 213 Ų | 213 | 144.4 Ų | 144.4 | 93% | 0.926 | 85% | 0.848 | S | S | * | * | trans | -83.6 | 112.5 | -174.7 | -70 | 175 | 178.5 | 178 | 0 | 109.1 | ||||
| 3 | I | 47.8 | Very low | 49.6 | Very low | 167 Ų | 167 | 138.5 Ų | 138.5 | 86% | 0.856 | 84% | 0.836 | S | S | * | * | trans | -83.8 | 115.4 | 174.3 | -61.7 | 169.8 | 0 | 0 | 0 | 107.2 | ||||
| 4 | S | 49.5 | Very low | 50.2 | Low | 105 Ų | 105 | 137.5 Ų | 137.5 | 73% | 0.734 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 142.9 | 171.3 | -76.7 | 0 | 0 | 0 | 0 | 110.3 | ||
| 5 | P | 58.3 | Low | 50.4 | Low | 126 Ų | 126 | 136.3 Ų | 136.3 | 82% | 0.818 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 123.3 | -178.1 | 30.1 | -31.8 | 0 | 0 | 0 | 110.9 | S7 | P5-S7 PolarHBondContact O-N 3.16Š|
| 6 | A | 52.1 | Low | 50.3 | Low | 104 Ų | 104 | 142.8 Ų | 142.8 | 86% | 0.86 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 119.5 | 171 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||
| 7 | S | 53.8 | Low | 50.5 | Low | 114 Ų | 114 | 145.3 Ų | 145.3 | 80% | 0.797 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 130.5 | -178.5 | -176.5 | 0 | 0 | 0 | 0 | 113.4 | P5 A9 | P5-S7 PolarHBondContact O-N 3.16Å; S7-A9 PolarHBondContact O-N 3.29Å |
| 8 | L | 50.8 | Low | 50.4 | Low | 171 Ų | 171 | 145.8 Ų | 145.8 | 90% | 0.895 | 84% | 0.835 | S | S | * | * | trans | -58.7 | 108 | 166.1 | -73.4 | 148 | 0 | 0 | 0 | 110 | S10 | L8-S10 PolarHBondContact O-N 3.45Š| ||
| 9 | A | 49.1 | Very low | 50.1 | Low | 82 Ų | 82 | 147 Ų | 147 | 68% | 0.678 | 84% | 0.837 | S | S | * | * | trans | -82.5 | 95.2 | 167.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | S7 Y11 | S7-A9 PolarHBondContact O-N 3.29Å; A9-Y11 HydrophobicContact CB-CD2 4.33Å; A9-Y11 HydrophobicContact CB-CE2 4.35Å; A9-Y11 PolarHBondContact O-N 3.4Å | ||
| 10 | S | 49.6 | Very low | 49.9 | Very low | 119 Ų | 119 | 142.9 Ų | 142.9 | 83% | 0.832 | 83% | 0.828 | S | S | * | * | trans | -71.4 | 98 | 168.4 | -165.1 | 0 | 0 | 0 | 0 | 108.8 | L8 | L8-S10 PolarHBondContact O-N 3.45Š| ||
| 11 | Y | 47.6 | Very low | 49.9 | Very low | 222 Ų | 222 | 141.9 Ų | 141.9 | 87% | 0.871 | 83% | 0.827 | S | S | * | * | trans | -88.3 | 106.7 | 166.8 | -90.6 | -85.9 | 0 | 0 | 0 | 109 | A9 G13 | A9-Y11 HydrophobicContact CB-CD2 4.33Å; A9-Y11 HydrophobicContact CB-CE2 4.35Å; A9-Y11 PolarHBondContact O-N 3.4Å; Y11-G13 PolarHBondContact O-N 3.49Å | ||
| 12 | G | 42.7 | Very low | 49.8 | Very low | 71 Ų | 71 | 138.7 Ų | 138.7 | 73% | 0.732 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 128 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 13 | G | 53.3 | Low | 49.7 | Very low | 67 Ų | 67 | 139.7 Ų | 139.7 | 69% | 0.691 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -70 | 147.3 | 168.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y11 | Y11-G13 PolarHBondContact O-N 3.49Š|
| 14 | P | 57.2 | Low | 49.2 | Very low | 125 Ų | 125 | 137 Ų | 137 | 81% | 0.812 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 155.5 | -179.7 | 29.4 | -33.3 | 0 | 0 | 0 | 112 | ||
| 15 | P | 53.1 | Low | 49.1 | Very low | 120 Ų | 120 | 139.7 Ų | 139.7 | 78% | 0.779 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 146.6 | -170.1 | 29.8 | -33.4 | 0 | 0 | 0 | 113 | E17 | P15-E17 PolarHBondContact O-N 3.19Š|
| 16 | R | 49.7 | Very low | 48.2 | Very low | 239 Ų | 239 | 137.9 Ų | 137.9 | 90% | 0.902 | 81% | 0.806 | S | S | * | * | trans | -65.6 | 109.2 | 170.5 | -74.9 | 175 | 142.1 | -160.1 | -5.1 | 110.2 | ||||
| 17 | E | 52.9 | Low | 47.6 | Very low | 186 Ų | 186 | 139.7 Ų | 139.7 | 87% | 0.869 | 81% | 0.807 | S | S | * | * | trans | -77.7 | 131.6 | 165.4 | -89.5 | -80.3 | 101.7 | 0 | 0 | 110.3 | P15 | P15-E17 PolarHBondContact O-N 3.19Š| ||
| 18 | L | 49 | Very low | 47 | Very low | 154 Ų | 154 | 138.7 Ų | 138.7 | 81% | 0.806 | 81% | 0.805 | S | S | * | * | trans | -80.6 | 147.7 | -169.3 | -84.6 | 110.9 | 0 | 0 | 0 | 113.6 | G20 | L18-G20 PolarHBondContact O-N 3.39Š| ||
| 19 | I | 45 | Very low | 46.4 | Very low | 169 Ų | 169 | 137.2 Ų | 137.2 | 87% | 0.867 | 80% | 0.803 | S | S | * | * | trans | -39.7 | 120.8 | 163.6 | -59.4 | 157 | 0 | 0 | 0 | 112.5 | ||||
| 20 | G | 47.1 | Very low | 45.7 | Very low | 64 Ų | 64 | 137.4 Ų | 137.4 | 66% | 0.66 | 81% | 0.813 | S | S | * | * | trans | -112.7 | 143.3 | 163.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | L18 | L18-G20 PolarHBondContact O-N 3.39Š| ||
| 21 | P | 49.2 | Very low | 45 | Very low | 123 Ų | 123 | 134.9 Ų | 134.9 | 80% | 0.799 | 81% | 0.806 | S | S | * | * | trans | -89.1 | 159 | -160.7 | 34.8 | -35.3 | 0 | 0 | 0 | 115.6 | ||||
| 22 | L | 44.1 | Very low | 44.5 | Very low | 171 Ų | 171 | 136.6 Ų | 136.6 | 90% | 0.895 | 81% | 0.811 | S | S | * | * | trans | -27.9 | 125.2 | 168.8 | -87.3 | 68 | 0 | 0 | 0 | 115 | ||||
| 23 | R | 41.7 | Very low | 44.5 | Very low | 234 Ų | 234 | 139.9 Ų | 139.9 | 88% | 0.883 | 81% | 0.811 | S | S | * | * | trans | -109.7 | 110.1 | 150.8 | -87.3 | -175 | 175.3 | -145.6 | -0.2 | 109.9 | ||||
| 24 | S | 38.4 | Very low | 43.9 | Very low | 112 Ų | 112 | 147.6 Ų | 147.6 | 78% | 0.783 | 82% | 0.819 | S | S | * | * | trans | -78.4 | 122 | 161.7 | 176.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 25 | M | 45.6 | Very low | 43.2 | Very low | 161 Ų | 161 | 149.3 Ų | 149.3 | 79% | 0.793 | 81% | 0.814 | S | S | * | * | trans | -149.7 | 102.8 | 157 | -73.2 | -167.8 | 174.5 | 0 | 0 | 106.2 | ||||
| 26 | A | 39.7 | Very low | 42.5 | Very low | 87 Ų | 87 | 148.8 Ų | 148.8 | 72% | 0.719 | 81% | 0.812 | S | S | * | * | 78.9 | 97.3 | 90.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 27 | T | 39.5 | Very low | 41.9 | Very low | 143 Ų | 143 | 146.3 Ų | 146.3 | 88% | 0.877 | 81% | 0.808 | S | S | * | * | trans | 0.9 | 124.7 | 139.2 | 48.7 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 28 | A | 41.9 | Very low | 41.3 | Very low | 92 Ų | 92 | 146 Ų | 146 | 76% | 0.76 | 81% | 0.806 | S | S | * | * | trans | -170.3 | 105.4 | 137.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 29 | T | 38.5 | Very low | 40.6 | Very low | 141 Ų | 141 | 142.2 Ų | 142.2 | 87% | 0.865 | 81% | 0.805 | S | S | * | * | trans | 22.1 | 122.8 | 134.5 | 55.6 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 30 | G | 33.7 | Very low | 40.2 | Very low | 86 Ų | 86 | 139 Ų | 139 | 89% | 0.887 | 80% | 0.797 | S | S | * | * | 87.9 | 122 | 128.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 31 | G | 35.6 | Very low | 39.7 | Very low | 65 Ų | 65 | 142.9 Ų | 142.9 | 67% | 0.67 | 80% | 0.802 | S | S | * | * | trans | 157.4 | 84.3 | 164.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | L33 | G31-L33 PolarHBondContact O-N 2.91Å; G31-L33 VanDerWaalsContact O-N 3.16Å | ||
| 32 | W | 37 | Very low | 39.1 | Very low | 259 Ų | 259 | 142.5 Ų | 142.5 | 98% | 0.981 | 80% | 0.797 | S | S | * | * | trans | -64.5 | 108.1 | 167.1 | -74.7 | 41.4 | 0 | 0 | 0 | 108.9 | ||||
| 33 | L | 41.9 | Very low | 38.7 | Very low | 139 Ų | 139 | 142.7 Ų | 142.7 | 73% | 0.728 | 79% | 0.794 | S | S | * | * | trans | -111.9 | 99 | 166.9 | -86.7 | 153 | 0 | 0 | 0 | 108.8 | G31 F35 | G31-L33 PolarHBondContact O-N 2.91Å; G31-L33 VanDerWaalsContact O-N 3.16Å; L33-F35 HydrophobicContact CB-CD2 4.13Å; L33-F35 HydrophobicContact CB-CE2 3.82Å; L33-F35 HydrophobicContact CD2-CE2 4.33Å; L33-F35 HydrophobicContact CG-CE2 4.49Å; L33-F35 PolarHBondContact O-N 3.06Å | ||
| 34 | R | 41.7 | Very low | 38.8 | Very low | 230 Ų | 230 | 137.2 Ų | 137.2 | 87% | 0.868 | 79% | 0.791 | S | S | * | * | trans | -76.4 | 97.3 | 172 | -155 | -177.5 | -149 | 176.5 | 4.8 | 107.1 | C36 | R34-C36 PolarHBondContact O-N 2.83Š| ||
| 35 | F | 41.2 | Very low | 38.7 | Very low | 160 Ų | 160 | 139 Ų | 139 | 70% | 0.702 | 79% | 0.791 | S | S | * | * | trans | -85.9 | 101.7 | 172.7 | -83.2 | -86 | 0 | 0 | 0 | 109.7 | L33 F37 | L33-F35 HydrophobicContact CB-CD2 4.13Å; L33-F35 HydrophobicContact CB-CE2 3.82Å; L33-F35 HydrophobicContact CD2-CE2 4.33Å; L33-F35 HydrophobicContact CG-CE2 4.49Å; L33-F35 PolarHBondContact O-N 3.06Å; F35-F37 HydrophobicContact CD1-CE2 4.44Å | ||
| 36 | C | 39.4 | Very low | 38.4 | Very low | 109 Ų | 109 | 134.9 Ų | 134.9 | 74% | 0.736 | 79% | 0.79 | S | S | * | * | trans | -84.4 | 101.4 | 162.2 | -67.1 | 0 | 0 | 0 | 0 | 108 | R34 H38 | R34-C36 PolarHBondContact O-N 2.83Å; C36-H38 PolarHBondContact O-N 3.41Å | ||
| 37 | F | 38 | Very low | 38.4 | Very low | 188 Ų | 188 | 137.4 Ų | 137.4 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | trans | -88.1 | 101.4 | 165.8 | -108.3 | -91.5 | 0 | 0 | 0 | 109 | F35 | F35-F37 HydrophobicContact CD1-CE2 4.44Š| ||
| 38 | H | 38.8 | Very low | 38.3 | Very low | 178 Ų | 178 | 138.5 Ų | 138.5 | 82% | 0.824 | 79% | 0.789 | S | S | * | * | trans | -79 | 123.7 | 156.4 | -111.6 | -103 | 0 | 0 | 0 | 107.1 | C36 | C36-H38 PolarHBondContact O-N 3.41Š| ||
| 39 | G | 35.4 | Very low | 38.2 | Very low | 75 Ų | 75 | 139.6 Ų | 139.6 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | trans | -157.2 | 87.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 40 | S | 36.7 | Very low | 38.2 | Very low | 102 Ų | 102 | 138.2 Ų | 138.2 | 71% | 0.713 | 78% | 0.783 | S | S | * | * | trans | -72 | 150.6 | 177.9 | -69.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 41 | L | 35.4 | Very low | 38.6 | Very low | 146 Ų | 146 | 141 Ų | 141 | 76% | 0.764 | 78% | 0.782 | S | S | * | * | trans | 92.1 | 150.6 | 134.7 | -117.3 | 87.6 | 0 | 0 | 0 | 121.5 | ||||
| 42 | T | 37.5 | Very low | 38.7 | Very low | 114 Ų | 114 | 145.6 Ų | 145.6 | 70% | 0.699 | 79% | 0.792 | S | S | * | * | trans | 77.8 | 92.7 | 170.5 | 74.4 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 43 | E | 36.3 | Very low | 38.8 | Very low | 176 Ų | 176 | 136.2 Ų | 136.2 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | 53.8 | 100.6 | 79.1 | -78.7 | -178.8 | 98.2 | 0 | 0 | 113.4 | |||||
| 44 | S | 41.9 | Very low | 39.1 | Very low | 118 Ų | 118 | 134.5 Ų | 134.5 | 83% | 0.825 | 77% | 0.772 | S | S | * | * | trans | -140.5 | 104.3 | 149.4 | 53.9 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 45 | L | 38 | Very low | 39.1 | Very low | 150 Ų | 150 | 134.8 Ų | 134.8 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | trans | -53.5 | 133 | 167.7 | -75.2 | 100.6 | 0 | 0 | 0 | 110 | ||||
| 46 | G | 38.1 | Very low | 38.9 | Very low | 75 Ų | 75 | 137.8 Ų | 137.8 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | trans | -137.7 | 113.5 | 166.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 47 | D | 40.2 | Very low | 39.2 | Very low | 140 Ų | 140 | 142.6 Ų | 142.6 | 75% | 0.749 | 78% | 0.783 | S | S | * | * | trans | -63.9 | 129 | -163.2 | -69.7 | -61.2 | 0 | 0 | 0 | 115.6 | ||||
| 48 | M | 36.4 | Very low | 40 | Very low | 166 Ų | 166 | 141 Ų | 141 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | 35.2 | 99.2 | 118.1 | -144.1 | 126.5 | 79.7 | 0 | 0 | 118 | |||||
| 49 | S | 41.6 | Very low | 40.3 | Very low | 115 Ų | 115 | 139.2 Ų | 139.2 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | trans | -134.9 | 87.1 | 146.2 | 69.7 | 0 | 0 | 0 | 0 | 110.1 | T51 | S49-T51 PolarHBondContact O-N 2.94Š| ||
| 50 | T | 38.3 | Very low | 40.9 | Very low | 112 Ų | 112 | 142.3 Ų | 142.3 | 69% | 0.687 | 77% | 0.772 | S | S | * | * | trans | -58.5 | 120.7 | 163.4 | -61.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 51 | T | 41.2 | Very low | 41.6 | Very low | 144 Ų | 144 | 143.5 Ų | 143.5 | 88% | 0.883 | 78% | 0.775 | S | S | * | * | trans | -136.9 | 101.8 | 147.8 | -8.9 | 0 | 0 | 0 | 0 | 109.2 | S49 | S49-T51 PolarHBondContact O-N 2.94Š| ||
| 52 | D | 37.2 | Very low | 42.1 | Very low | 161 Ų | 161 | 140.5 Ų | 140.5 | 86% | 0.861 | 77% | 0.771 | S | S | * | * | trans | -70.6 | 132.2 | 172.9 | -145.1 | -20.5 | 0 | 0 | 0 | 108.9 | ||||
| 53 | G | 40.7 | Very low | 42.9 | Very low | 62 Ų | 62 | 140.5 Ų | 140.5 | 64% | 0.639 | 77% | 0.774 | S | S | * | * | trans | -165.9 | 141.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 54 | P | 47.2 | Very low | 43.5 | Very low | 103 Ų | 103 | 143.9 Ų | 143.9 | 67% | 0.669 | 78% | 0.779 | S | S | * | * | -87.1 | 143.6 | -125.4 | 30.8 | -35.4 | 0 | 0 | 0 | 115.5 | W56 | P54-W56 PolarHBondContact O-N 3.3Å; P54-W56 VanDerWaalsContact O-N 3.17Å | |||
| 55 | R | 42 | Very low | 43.7 | Very low | 236 Ų | 236 | 149.7 Ų | 149.7 | 89% | 0.891 | 78% | 0.783 | S | S | * | * | trans | -72.5 | 90.8 | 179.9 | -164.7 | 176.9 | -163.4 | 168.6 | 4.9 | 111.2 | R57 | R55-R57 PolarHBondContact O-N 3.34Å; R55-R57 VanDerWaalsContact O-N 3.09Å | ||
| 56 | W | 37.2 | Very low | 44.3 | Very low | 223 Ų | 223 | 153.7 Ų | 153.7 | 85% | 0.845 | 79% | 0.787 | S | S | * | * | trans | -69.7 | 103.4 | 171.2 | -61.7 | 91.5 | 0 | 0 | 0 | 110.4 | P54 Q58 | P54-W56 PolarHBondContact O-N 3.3Å; P54-W56 VanDerWaalsContact O-N 3.17Å; W56-Q58 PolarHBondContact O-N 3.41Å | ||
| 57 | R | 44.9 | Very low | 44.6 | Very low | 210 Ų | 210 | 160.5 Ų | 160.5 | 79% | 0.792 | 79% | 0.79 | S | S | * | * | trans | -87 | 88.9 | 173.1 | -168.2 | -165.3 | -70.2 | -118.1 | 7.3 | 108.5 | R55 N59 | R55-R57 PolarHBondContact O-N 3.34Å; R55-R57 VanDerWaalsContact O-N 3.09Å; R57-N59 PolarHBondContact O-N 3.3Å | ||
| 58 | Q | 54.7 | Low | 45.1 | Very low | 154 Ų | 154 | 165.3 Ų | 165.3 | 72% | 0.72 | 80% | 0.797 | S | S | * | * | trans | -88.4 | 100.9 | 170 | -72.2 | -174.7 | -9.8 | 0 | 0 | 109.8 | W56 I60 | W56-Q58 PolarHBondContact O-N 3.41Å; Q58-I60 HydrophobicContact CB-CG1 4.27Å; Q58-I60 PolarHBondContact O-N 3.31Å; Q58-I60 VanDerWaalsContact O-N 3.14Å | ||
| 59 | N | 45.2 | Very low | 45.4 | Very low | 141 Ų | 141 | 162.9 Ų | 162.9 | 75% | 0.754 | 79% | 0.788 | S | S | * | * | trans | -66.2 | 97.2 | 161.2 | -84 | -10.2 | 0 | 0 | 0 | 108.2 | R57 | R57-N59 PolarHBondContact O-N 3.3Š| ||
| 60 | I | 48.3 | Very low | 45.6 | Very low | 141 Ų | 141 | 166 Ų | 166 | 72% | 0.723 | 79% | 0.789 | S | S | * | * | trans | -102.3 | 95.6 | 168.5 | -55 | -179.2 | 0 | 0 | 0 | 107.7 | Q58 A62 | Q58-I60 HydrophobicContact CB-CG1 4.27Å; Q58-I60 PolarHBondContact O-N 3.31Å; Q58-I60 VanDerWaalsContact O-N 3.14Å; I60-A62 PolarHBondContact O-N 2.04Å | ||
| 61 | T | 51.9 | Low | 46.1 | Very low | 126 Ų | 126 | 167.9 Ų | 167.9 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -46.5 | 121.8 | 168.4 | -54.3 | 0 | 0 | 0 | 0 | 110.4 | ||
| 62 | A | 46.1 | Very low | 46.2 | Very low | 83 Ų | 83 | 169 Ų | 169 | 69% | 0.686 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 126 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | I60 R64 | I60-A62 PolarHBondContact O-N 2.04Å; A62-R64 PolarHBondContact O-N 3.01Å |
| 63 | P | 53.1 | Low | 46.6 | Very low | 115 Ų | 115 | 166.2 Ų | 166.2 | 75% | 0.747 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 116.9 | 173.8 | 26.4 | -29.7 | 0 | 0 | 0 | 109.8 | R65 | P63-R65 PolarHBondContact O-N 3.31Š|
| 64 | R | 48.7 | Very low | 46.7 | Very low | 246 Ų | 246 | 168.2 Ų | 168.2 | 93% | 0.928 | 80% | 0.8 | S | S | * | * | trans | -53.9 | 103.9 | 164.3 | -86.1 | -178.2 | 170.6 | 178 | -2.3 | 108.9 | A62 R66 | A62-R64 PolarHBondContact O-N 3.01Å; R64-R66 PolarHBondContact O-N 2.73Å; R64-R66 VanDerWaalsContact O-N 3.14Å | ||
| 65 | R | 47.8 | Very low | 46.6 | Very low | 241 Ų | 241 | 166.5 Ų | 166.5 | 91% | 0.909 | 80% | 0.801 | S | S | * | * | trans | -68.6 | 110.1 | 167.9 | -72.8 | -166 | -177.4 | -144.8 | 2.4 | 108.5 | P63 | P63-R65 PolarHBondContact O-N 3.31Š| ||
| 66 | R | 49.4 | Very low | 46.3 | Very low | 233 Ų | 233 | 161.7 Ų | 161.7 | 88% | 0.879 | 80% | 0.802 | S | S | * | * | trans | -57.6 | 131.8 | 169.3 | -72.6 | -171.7 | -179.1 | -166.7 | 1.4 | 109.3 | R64 R68 | R64-R66 PolarHBondContact O-N 2.73Å; R64-R66 VanDerWaalsContact O-N 3.14Å; R66-R68 PolarHBondContact O-N 2.78Å | ||
| 67 | R | 45.7 | Very low | 47.2 | Very low | 218 Ų | 218 | 156.8 Ų | 156.8 | 82% | 0.823 | 80% | 0.799 | S | S | * | * | trans | -55.5 | 121.6 | 163.1 | -71.5 | -175.6 | -178.4 | -152.5 | 0.9 | 107.9 | D69 | R67-D69 PolarHBondContact O-N 2.82Š| ||
| 68 | R | 50.2 | Low | 47.2 | Very low | 241 Ų | 241 | 151 Ų | 151 | 91% | 0.909 | 80% | 0.796 | S | S | * | * | trans | -95.9 | 81.8 | 167.1 | -162.1 | -177.2 | -70.2 | -173.7 | -3.1 | 105.7 | R66 | R66-R68 PolarHBondContact O-N 2.78Š| ||
| 69 | D | 42.7 | Very low | 47 | Very low | 115 Ų | 115 | 149 Ų | 149 | 62% | 0.615 | 80% | 0.796 | S | S | * | * | trans | -83.6 | 102.5 | 163.5 | -71.1 | -55.3 | 0 | 0 | 0 | 106 | R67 | R67-D69 PolarHBondContact O-N 2.82Š| ||
| 70 | E | 44.6 | Very low | 47.8 | Very low | 180 Ų | 180 | 148.7 Ų | 148.7 | 84% | 0.841 | 80% | 0.799 | S | S | * | * | trans | -152.7 | 88.7 | 162.2 | -125.5 | 163.2 | 104.3 | 0 | 0 | 110.3 | ||||
| 71 | Q | 48.7 | Very low | 47.8 | Very low | 152 Ų | 152 | 147.5 Ų | 147.5 | 71% | 0.71 | 80% | 0.802 | S | S | * | * | trans | 32.9 | 115.2 | 135.6 | -97.1 | 73.7 | -16.2 | 0 | 0 | 120 | ||||
| 72 | L | 44.4 | Very low | 47.7 | Very low | 168 Ų | 168 | 148.7 Ų | 148.7 | 88% | 0.88 | 80% | 0.803 | S | S | * | * | 18.9 | 104.9 | 127.2 | -68.2 | 103.7 | 0 | 0 | 0 | 117.1 | |||||
| 73 | A | 44.4 | Very low | 47.7 | Very low | 103 Ų | 103 | 150.3 Ų | 150.3 | 85% | 0.851 | 81% | 0.809 | S | S | * | * | trans | -110.7 | 103.9 | 145.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 74 | A | 44.1 | Very low | 47.7 | Very low | 104 Ų | 104 | 150.1 Ų | 150.1 | 86% | 0.86 | 81% | 0.811 | S | S | * | * | trans | -57.2 | 143.6 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 75 | G | 44.1 | Very low | 48.1 | Very low | 66 Ų | 66 | 149.6 Ų | 149.6 | 68% | 0.68 | 81% | 0.809 | S | S | * | * | trans | 156 | 66.5 | 168.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | P77 | G75-P77 VanDerWaalsContact C-CD 3.44Å; G75-P77 WeakPolarHBondContact O-CD 3.34Å | ||
| 76 | C | 36.7 | Very low | 48.1 | Very low | 135 Ų | 135 | 147.8 Ų | 147.8 | 91% | 0.912 | 81% | 0.808 | S | S | * | * | trans | -93 | 98.1 | 156.2 | -67.5 | 0 | 0 | 0 | 0 | 108.6 | A78 | C76-A78 PolarHBondContact O-N 2.91Š| ||
| 77 | P | 55.4 | Low | 48.4 | Very low | 121 Ų | 121 | 145.2 Ų | 145.2 | 79% | 0.786 | 81% | 0.806 | S | S | * | * | trans | -79.5 | 111.8 | 153.6 | 29.3 | -27 | 0 | 0 | 0 | 108.1 | G75 | G75-P77 VanDerWaalsContact C-CD 3.44Å; G75-P77 WeakPolarHBondContact O-CD 3.34Å | ||
| 78 | A | 44.8 | Very low | 49.1 | Very low | 89 Ų | 89 | 140.5 Ų | 140.5 | 74% | 0.736 | 80% | 0.801 | S | S | * | * | trans | -67.7 | 168.9 | 165.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | C76 | C76-A78 PolarHBondContact O-N 2.91Š| ||
| 79 | P | 51.3 | Low | 49.1 | Very low | 110 Ų | 110 | 136.8 Ų | 136.8 | 71% | 0.714 | 80% | 0.796 | S | S | * | * | trans | -90.9 | 145.9 | -139.5 | 35.6 | -36.1 | 0 | 0 | 0 | 113.7 | ||||
| 80 | V | 61.3 | Low | 49.7 | Very low | 135 Ų | 135 | 136.3 Ų | 136.3 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | -105.8 | 104.4 | 155.7 | -84.3 | 0 | 0 | 0 | 0 | 109 | L82 | V80-L82 HydrophobicContact CB-CD1 4.45Å; V80-L82 PolarHBondContact O-N 3.34Å | ||
| 81 | C | 47.5 | Very low | 50.4 | Low | 117 Ų | 117 | 134.6 Ų | 134.6 | 79% | 0.791 | 79% | 0.789 | S | S | * | * | trans | -59.3 | 113.5 | 162.8 | -56.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 82 | L | 49.9 | Very low | 50.3 | Low | 151 Ų | 151 | 136.2 Ų | 136.2 | 79% | 0.791 | 79% | 0.794 | S | S | * | * | trans | -124.3 | 102.6 | 155.6 | -91.3 | 97.3 | 0 | 0 | 0 | 109.8 | V80 S84 | V80-L82 HydrophobicContact CB-CD1 4.45Å; V80-L82 PolarHBondContact O-N 3.34Å; L82-S84 PolarHBondContact O-N 3.24Å | ||
| 83 | S | 46.4 | Very low | 50.9 | Low | 117 Ų | 117 | 138.6 Ų | 138.6 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | -57.5 | 115.9 | 158.6 | 162.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 84 | S | 52.9 | Low | 51.4 | Low | 110 Ų | 110 | 141.9 Ų | 141.9 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | trans | -140.9 | 110.4 | 157.7 | -91.6 | 0 | 0 | 0 | 0 | 110.2 | L82 | L82-S84 PolarHBondContact O-N 3.24Š| ||
| 85 | R | 57.5 | Low | 51.5 | Low | 235 Ų | 235 | 144.4 Ų | 144.4 | 89% | 0.887 | 79% | 0.785 | S | S | * | * | trans | 0.5 | 110.7 | 159.2 | -64.7 | 175 | -169.2 | -151.2 | 0.1 | 115.4 | E87 | R85-E87 PolarHBondContact O-N 2.99Å; R85-E87 VanDerWaalsContact O-N 3.1Å | ||
| 86 | F | 47.7 | Very low | 52 | Low | 204 Ų | 204 | 149.1 Ų | 149.1 | 90% | 0.895 | 79% | 0.79 | S | S | * | * | trans | -66.1 | 99.7 | 159.3 | -119.4 | -104.3 | 0 | 0 | 0 | 108.2 | V88 | F86-V88 PolarHBondContact O-N 3.5Š| ||
| 87 | E | 56.5 | Low | 52.5 | Low | 178 Ų | 178 | 148 Ų | 148 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | trans | -71.6 | 111.1 | 160.1 | -77.3 | 179.3 | 149.1 | 0 | 0 | 107.5 | R85 M89 | R85-E87 PolarHBondContact O-N 2.99Å; R85-E87 VanDerWaalsContact O-N 3.1Å; E87-M89 VanDerWaalsContact C-N 3.3Å; E87-M89 PolarHBondContact O-N 2.97Å | ||
| 88 | V | 60.8 | Low | 52.1 | Low | 119 Ų | 119 | 148.3 Ų | 148.3 | 72% | 0.721 | 78% | 0.778 | S | S | * | * | trans | -65.2 | 91.6 | 173.7 | 179.2 | 0 | 0 | 0 | 0 | 107.4 | F86 T90 | F86-V88 PolarHBondContact O-N 3.5Å; V88-T90 VanDerWaalsContact C-N 3.29Å; V88-T90 HydrophobicContact CG1-CG2 4.22Å; V88-T90 PolarHBondContact O-N 3.45Å | ||
| 89 | M | 50.3 | Low | 52.5 | Low | 164 Ų | 164 | 151.8 Ų | 151.8 | 81% | 0.808 | 78% | 0.783 | S | S | * | * | trans | -72 | 93.5 | 163.3 | -98.3 | -155.3 | -115.3 | 0 | 0 | 108.2 | E87 Q91 | E87-M89 VanDerWaalsContact C-N 3.3Å; E87-M89 PolarHBondContact O-N 2.97Å; M89-Q91 PolarHBondContact O-N 3.43Å | ||
| 90 | T | 54 | Low | 52.2 | Low | 105 Ų | 105 | 149.5 Ų | 149.5 | 64% | 0.644 | 78% | 0.779 | S | S | * | * | trans | -59.3 | 84.9 | 157.7 | 41.2 | 0 | 0 | 0 | 0 | 109.3 | V88 F92 | V88-T90 VanDerWaalsContact C-N 3.29Å; V88-T90 HydrophobicContact CG1-CG2 4.22Å; V88-T90 PolarHBondContact O-N 3.45Å; T90-F92 HydrophobicContact CG2-CE2 4.39Å; T90-F92 PolarHBondContact O-N 3.07Å | ||
| 91 | Q | 60 | Low | 51.6 | Low | 144 Ų | 144 | 150.7 Ų | 150.7 | 67% | 0.673 | 78% | 0.776 | S | S | * | * | trans | -90.8 | 87.1 | 158 | -86.8 | -176.9 | -10.3 | 0 | 0 | 108 | M89 R93 | M89-Q91 PolarHBondContact O-N 3.43Å; Q91-R93 PolarHBondContact O-N 3.16Å | ||
| 92 | F | 47.3 | Very low | 51.9 | Low | 185 Ų | 185 | 150.4 Ų | 150.4 | 81% | 0.811 | 77% | 0.773 | S | S | * | * | trans | -60.9 | 86.2 | 154.2 | -78.6 | -89.5 | 0 | 0 | 0 | 107.5 | T90 Q94 | T90-F92 HydrophobicContact CG2-CE2 4.39Å; T90-F92 PolarHBondContact O-N 3.07Å; F92-Q94 VanDerWaalsContact C-N 3.31Å; F92-Q94 PolarHBondContact O-N 3.1Å; F92-Q94 VanDerWaalsContact O-N 3.07Å | ||
| 93 | R | 55.2 | Low | 51.9 | Low | 218 Ų | 218 | 148 Ų | 148 | 82% | 0.823 | 76% | 0.764 | S | S | * | * | trans | -71.1 | 99.1 | 160 | -87 | -176 | 173.3 | 172.9 | -1.8 | 106.4 | Q91 M95 | Q91-R93 PolarHBondContact O-N 3.16Å; R93-M95 VanDerWaalsContact C-N 3.29Å; R93-M95 PolarHBondContact O-N 3.22Å | ||
| 94 | Q | 56.7 | Low | 52.1 | Low | 172 Ų | 172 | 151.2 Ų | 151.2 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | trans | -54.9 | 99.3 | 159.1 | -67.8 | 170.5 | -47.8 | 0 | 0 | 106.6 | F92 E96 | F92-Q94 VanDerWaalsContact C-N 3.31Å; F92-Q94 PolarHBondContact O-N 3.1Å; F92-Q94 VanDerWaalsContact O-N 3.07Å; Q94-E96 PolarHBondContact O-N 2.96Å | ||
| 95 | M | 46 | Very low | 51.8 | Low | 158 Ų | 158 | 153 Ų | 153 | 78% | 0.778 | 77% | 0.767 | S | S | * | * | trans | -82.3 | 96.1 | 162.2 | -169.2 | 75.8 | 178.9 | 0 | 0 | 104.8 | R93 T97 | R93-M95 VanDerWaalsContact C-N 3.29Å; R93-M95 PolarHBondContact O-N 3.22Å; M95-T97 HydrophobicContact CG-CG2 4.3Å; M95-T97 PolarHBondContact O-N 3.32Å | ||
| 96 | E | 53.5 | Low | 51.4 | Low | 165 Ų | 165 | 150.5 Ų | 150.5 | 77% | 0.771 | 77% | 0.766 | S | S | * | * | trans | -61.3 | 86.7 | 158.7 | -97.5 | 151 | 114.8 | 0 | 0 | 107.1 | Q94 T98 | Q94-E96 PolarHBondContact O-N 2.96Å; E96-T98 PolarHBondContact O-N 3.37Å | ||
| 97 | T | 48.6 | Very low | 51.6 | Low | 111 Ų | 111 | 148.1 Ų | 148.1 | 68% | 0.681 | 76% | 0.762 | S | S | * | * | trans | -66 | 93.9 | 159 | 32.2 | 0 | 0 | 0 | 0 | 106.1 | M95 I99 | M95-T97 HydrophobicContact CG-CG2 4.3Å; M95-T97 PolarHBondContact O-N 3.32Å; T97-I99 PolarHBondContact O-N 3.38Å; T97-I99 VanDerWaalsContact O-N 3.11Å | ||
| 98 | T | 46.2 | Very low | 51.3 | Low | 127 Ų | 127 | 146.4 Ų | 146.4 | 78% | 0.779 | 75% | 0.754 | S | S | * | * | trans | -34.8 | 118.3 | 156.7 | -53.1 | 0 | 0 | 0 | 0 | 107.6 | E96 G100 | E96-T98 PolarHBondContact O-N 3.37Å; T98-G100 PolarHBondContact O-N 3.14Å | ||
| 99 | I | 52.7 | Low | 51 | Low | 162 Ų | 162 | 146.4 Ų | 146.4 | 83% | 0.831 | 76% | 0.76 | S | S | * | * | trans | -63.1 | 82.4 | 167.8 | -59.8 | 166.6 | 0 | 0 | 0 | 104.6 | T97 E101 | T97-I99 PolarHBondContact O-N 3.38Å; T97-I99 VanDerWaalsContact O-N 3.11Å; I99-E101 PolarHBondContact O-N 3.28Å | ||
| 100 | G | 44.5 | Very low | 51.9 | Low | 62 Ų | 62 | 140.8 Ų | 140.8 | 64% | 0.639 | 74% | 0.735 | S | S | * | * | trans | -68.8 | 95.3 | 164.7 | 0 | 0 | 0 | 0 | 0 | 105.1 | T98 P102 | T98-G100 PolarHBondContact O-N 3.14Å; G100-P102 VanDerWaalsContact O-N 3.17Å | ||
| 101 | E | 50.4 | Low | 53.3 | Low | 160 Ų | 160 | 138 Ų | 138 | 75% | 0.748 | 72% | 0.722 | S | S | * | * | trans | -28 | 114.6 | 162.9 | -155.4 | 163.3 | 112.4 | 0 | 0 | 109.6 | I99 T103 | I99-E101 PolarHBondContact O-N 3.28Å; E101-T103 PolarHBondContact O-N 3.08Å | ||
| 102 | P | 52.1 | Low | 54.7 | Low | 111 Ų | 111 | 136.7 Ų | 136.7 | 72% | 0.721 | 71% | 0.714 | S | S | * | * | trans | -63.5 | 100.1 | 163.7 | 25.3 | -27.6 | 0 | 0 | 0 | 104.8 | G100 E104 | G100-P102 VanDerWaalsContact O-N 3.17Å; P102-E104 PolarHBondContact O-N 3.38Å | ||
| 103 | T | 51.6 | Low | 57 | Low | 101 Ų | 101 | 128 Ų | 128 | 62% | 0.62 | 68% | 0.676 | S | S | * | * | trans | -51.1 | 111 | 166.5 | 36.3 | 0 | 0 | 0 | 0 | 106.3 | E101 N105 | E101-T103 PolarHBondContact O-N 3.08Å; T103-N105 PolarHBondContact O-N 2.76Å; T103-N105 PolarHBondContact O-ND2 3.23Å | ||
| 104 | E | 49.2 | Very low | 58.9 | Low | 184 Ų | 184 | 121.3 Ų | 121.3 | 86% | 0.86 | 66% | 0.659 | S | S | * | * | trans | -58 | 88.4 | 172.7 | -62.9 | 175.8 | 138.9 | 0 | 0 | 106 | P102 E106 | P102-E104 PolarHBondContact O-N 3.38Å; E104-E106 VanDerWaalsContact C-N 3.26Å; E104-E106 PolarHBondContact O-N 2.88Å | ||
| 105 | N | 46.3 | Very low | 60.7 | Low | 147 Ų | 147 | 115 Ų | 115 | 79% | 0.786 | 63% | 0.631 | S | S | * | * | trans | -71 | 97.9 | 166.4 | -69.7 | -68.1 | 0 | 0 | 0 | 105 | T103 D107 | T103-N105 PolarHBondContact O-N 2.76Å; T103-N105 PolarHBondContact O-ND2 3.23Å; N105-D107 PolarHBondContact O-N 2.96Å; N105-D107 VanDerWaalsContact O-N 3.13Å | ||
| 106 | E | 50 | Low | 63.1 | Low | 184 Ų | 184 | 111.4 Ų | 111.4 | 86% | 0.86 | 61% | 0.614 | S | S | * | * | trans | -47.7 | 113.9 | 177.6 | -69.7 | -179.6 | 107.3 | 0 | 0 | 111 | E104 Q108 | E104-E106 VanDerWaalsContact C-N 3.26Å; E104-E106 PolarHBondContact O-N 2.88Å; E106-Q108 PolarHBondContact O-N 3.28Å | ||
| 107 | D | 51.2 | Low | 65.1 | Low | 154 Ų | 154 | 107.4 Ų | 107.4 | 82% | 0.824 | 60% | 0.596 | S | S | * | * | S | Bend | 66.5 | 51.8 | 123 | -144.3 | 24.1 | 0 | 0 | 0 | 118.4 | N105 | N105-D107 PolarHBondContact O-N 2.96Å; N105-D107 VanDerWaalsContact O-N 3.13Å | |
| 108 | Q | 49.9 | Very low | 67.4 | Low | 142 Ų | 142 | 104.5 Ų | 104.5 | 66% | 0.664 | 58% | 0.578 | S | S | * | * | trans | -141.1 | 77 | 136.2 | -154.9 | 150.4 | 21.9 | 0 | 0 | 107 | E106 T110 | E106-Q108 PolarHBondContact O-N 3.28Å; Q108-T110 PolarHBondContact O-N 3.29Å | ||
| 109 | S | 55.4 | Low | 69.8 | Low | 119 Ų | 119 | 98.9 Ų | 98.9 | 83% | 0.832 | 54% | 0.543 | S | S | * | . | trans | -71 | 69.4 | -168.5 | -161.4 | 0 | 0 | 0 | 0 | 111.8 | A111 | S109-A111 PolarHBondContact O-N 2.83Å; S109-A111 VanDerWaalsContact O-N 3.07Å | ||
| 110 | T | 69.1 | Low | 71.9 | Confident | 46 Ų | 46 | 96.8 Ų | 96.8 | 28% | 0.282 | 53% | 0.534 | S | S | . | . | trans | -71.6 | 99.9 | 167 | 60.2 | 0 | 0 | 0 | 0 | 105.9 | Q108 K112 T208 | Q108-T110 PolarHBondContact O-N 3.29Å; T110-K112 PolarHBondContact O-N 3.48Å; T110-T208 HydrophobicContact CG2-CG2 4.18Å; T110-T208 WeakPolarHBondContact CG2-OG1 3.33Å | ||
| 111 | A | 83.1 | Confident | 74.4 | Confident | 46 Ų | 46 | 98 Ų | 98 | 38% | 0.38 | 53% | 0.526 | S | S | . | . | trans | -58 | 112.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | S109 H142 | S109-A111 PolarHBondContact O-N 2.83Å; S109-A111 VanDerWaalsContact O-N 3.07Å; A111-H142 HydrophobicContact CB-CB 3.77Å | ||
| 112 | K | 90.1 | Very high | 76.5 | Confident | 117 Ų | 117 | 91 Ų | 91 | 51% | 0.509 | 50% | 0.495 | S | S | . | . | trans | -65.6 | 136.7 | 177.7 | 172.4 | 161.9 | 179.7 | -70.3 | 0 | 109.5 | T110 V114 V213 V215 | T110-K112 PolarHBondContact O-N 3.48Å; K112-V114 PolarHBondContact O-N 2.93Å; K112-V213 HydrophobicContact CB-CG1 3.93Å; K112-V213 HydrophobicContact CD-CG1 3.81Å; K112-V213 HydrophobicContact CG-CG1 3.58Å; K112-V215 HydrophobicContact CD-CG2 4.41Å; K112-V215 HydrophobicContact CG-CG2 3.98Å; K112-V215 VanDerWaalsContact NZ-CG2 3.35Å | ||
| 113 | P | 94.9 | Very high | 78.3 | Confident | 1 Ų | 1 | 91.2 Ų | 91.2 | 1% | 0.006 | 48% | 0.482 | C | S | . | . | trans | -56.3 | 139.1 | 176.1 | -26 | 33.5 | 0 | 0 | 0 | 112.1 | L141 A143 A203 V215 | P113-L141 VanDerWaalsContact CA-O 3.29Å; P113-L141 WeakPolarHBondContact CA-O 3.25Å; P113-A143 HydrophobicContact CB-CB 4.24Å; P113-A203 HydrophobicContact CB-CB 3.93Å; P113-V215 HydrophobicContact CB-CG2 4.15Å; P113-V215 WeakPolarHBondContact O-CG2 3.06Å | ||
| 114 | V | 94.9 | Very high | 80.2 | Confident | 78 Ų | 78 | 86.4 Ų | 86.4 | 47% | 0.473 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 118.9 | 175.5 | -178.9 | 0 | 0 | 0 | 0 | 108.5 | K112 I116 A140 L141 | K112-V114 PolarHBondContact O-N 2.93Å; V114-I116 PolarHBondContact O-N 2.83Å; V114-A140 CarbonylContact O-C 3.47Å; V114-A140 WeakPolarHBondContact O-CA 3.33Å; V114-L141 HydrophobicContact CB-CB 4.49Å; V114-L141 PolarHBondContact N-O 2.96Å; V114-L141 PolarHBondContact O-N 2.9Å |
| 115 | L | 95.7 | Very high | 82 | Confident | 40 Ų | 40 | 80 Ų | 80 | 21% | 0.209 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 118.5 | 175.4 | -67.4 | 146.3 | 0 | 0 | 0 | 108.8 | T118 C138 A203 V215 | L115-T118 HydrophobicContact CB-CG2 4.13Å; L115-T118 HydrophobicContact CD2-CG2 4.42Å; L115-C138 VanDerWaalsContact CD2-SG 3.52Å; L115-A203 HydrophobicContact CD2-CB 4.36Å; L115-V215 HydrophobicContact CD1-CB 4.23Å; L115-V215 HydrophobicContact CD1-CG1 3.53Å; L115-V215 HydrophobicContact CG-CG1 4.4Å |
| 116 | I | 95.3 | Very high | 83.4 | Confident | 83 Ų | 83 | 76 Ų | 76 | 43% | 0.426 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | -38.7 | 172 | -49.3 | 164.6 | 0 | 0 | 0 | 109.9 | V114 K139 L141 | V114-I116 PolarHBondContact O-N 2.83Å; I116-K139 PolarHBondContact N-O 2.69Å; I116-L141 HydrophobicContact CD1-CD1 3.75Å; I116-L141 HydrophobicContact CD1-CD2 3.47Å; I116-L141 VanDerWaalsContact CD1-CD2 3.47Å; I116-L141 HydrophobicContact CD1-CG 3.28Å; I116-L141 HydrophobicContact CG1-CD1 4.01Å; I116-L141 HydrophobicContact CG1-CD2 4.44Å; I116-L141 HydrophobicContact CG1-CG 3.72Å |
| 117 | E | 96.1 | Very high | 84.4 | Confident | 81 Ų | 81 | 69.1 Ų | 69.1 | 38% | 0.379 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 121 | 179.6 | -165.1 | -178.1 | 149.6 | 0 | 0 | 108.7 | C138 K139 | E117-C138 WeakPolarHBondContact O-CA 3.42Å; E117-K139 HydrophobicContact CB-CB 3.6Å; E117-K139 PolarHBondContact N-O 3.1Å; E117-K139 PolarHBondContact O-N 3.19Å |
| 118 | T | 96.7 | Very high | 85 | Confident | 50 Ų | 50 | 71 Ų | 71 | 31% | 0.307 | 37% | 0.374 | S | S | . | . | P | Polyproline II helix | trans | -101.2 | 151.2 | 173.5 | 54.1 | 0 | 0 | 0 | 0 | 110 | L115 N120 | L115-T118 HydrophobicContact CB-CG2 4.13Å; L115-T118 HydrophobicContact CD2-CG2 4.42Å; T118-N120 PolarHBondContact O-N 3.49Å |
| 119 | P | 97.3 | Very high | 85.8 | Confident | 8 Ų | 8 | 71.9 Ų | 71.9 | 5% | 0.052 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -61.1 | 135.7 | 175.2 | 27.9 | -35.6 | 0 | 0 | 0 | 109.8 | L136 T137 F148 C201 A220 | P119-L136 HydrophobicContact CB-CB 4.19Å; P119-T137 VanDerWaalsContact CA-O 3.23Å; P119-T137 WeakPolarHBondContact CA-O 3.35Å; P119-F148 HydrophobicContact CB-CE1 4.18Å; P119-F148 HydrophobicContact CG-CE1 4.13Å; P119-C201 HydrophobicContact CG-CB 4.01Å; P119-A220 HydrophobicContact CB-CB 3.86Å; P119-A220 HydrophobicContact CG-CB 4.05Å; P119-A220 WeakPolarHBondContact O-CB 3.45Å |
| 120 | N | 96.5 | Very high | 86.2 | Confident | 119 Ų | 119 | 75.2 Ų | 75.2 | 64% | 0.636 | 38% | 0.38 | S | S | * | . | P | Polyproline II helix | trans | -95.7 | 156.8 | 176.9 | -67.9 | -42.5 | 0 | 0 | 0 | 110.8 | T118 A122 | T118-N120 PolarHBondContact O-N 3.49Å; N120-A122 PolarHBondContact O-N 3.5Å |
| 121 | D | 96.4 | Very high | 86.8 | Confident | 88 Ų | 88 | 77 Ų | 77 | 47% | 0.471 | 39% | 0.385 | S | S | . | . | P | Polyproline II helix | trans | -54.4 | 136.2 | 170.1 | -74.1 | -27.5 | 0 | 0 | 0 | 110.7 | T221 | D121-T221 WeakPolarHBondContact CA-O 3.38Å; D121-T221 PolarHBondContact OD1-N 2.93Å; D121-T221 PolarHBondContact OD1-OG1 2.64Å |
| 122 | A | 94.2 | Very high | 86.9 | Confident | 11 Ų | 11 | 79.3 Ų | 79.3 | 9% | 0.091 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 148.3 | -173.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | N120 V134 L136 T221 V222 R223 | N120-A122 PolarHBondContact O-N 3.5Å; A122-V134 HydrophobicContact CB-CB 4.37Å; A122-V134 HydrophobicContact CB-CG1 3.88Å; A122-V134 HydrophobicContact CB-CG2 3.7Å; A122-L136 HydrophobicContact CB-CD2 3.93Å; A122-T221 PolarHBondContact N-O 3.07Å; A122-V222 HydrophobicContact CB-CG1 4.44Å; A122-V222 HydrophobicContact CB-CG2 4.35Å; A122-V222 WeakPolarHBondContact O-CA 3.29Å; A122-R223 PolarHBondContact O-N 2.72Å |
| 123 | Y | 91.6 | Very high | 87 | Confident | 117 Ų | 117 | 76.5 Ų | 76.5 | 46% | 0.459 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 130.8 | 179.6 | -60.6 | -86.5 | 0 | 0 | 0 | 110.2 | Q131 R223 A225 | Y123-Q131 PolarHBondContact O-NE2 3.36Å; Y123-R223 CarbonylContact C-O 3.53Å; Y123-R223 VanDerWaalsContact CA-O 3.3Å; Y123-R223 WeakPolarHBondContact CA-O 3.18Å; Y123-R223 HydrophobicContact CD1-CB 4.06Å; Y123-R223 HydrophobicContact CE1-CB 4.18Å; Y123-A225 HydrophobicContact CD1-CB 4.34Å |
| 124 | L | 91.2 | Very high | 87 | Confident | 0 Ų | 0 | 77.8 Ų | 77.8 | 0% | 0 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 101.1 | 173.4 | -70.4 | 165.8 | 0 | 0 | 0 | 107.8 | V134 R183 V186 V222 R223 V224 A225 | L124-V134 HydrophobicContact CD1-CG1 4.42Å; L124-V134 HydrophobicContact CD2-CB 3.82Å; L124-V134 HydrophobicContact CD2-CG1 3.89Å; L124-V134 HydrophobicContact CG-CB 4.47Å; L124-V134 HydrophobicContact CG-CG1 4.1Å; L124-R183 HydrophobicContact CD1-CB 4.19Å; L124-V186 HydrophobicContact CD1-CB 4.34Å; L124-V186 HydrophobicContact CD1-CG2 3.83Å; L124-V222 HydrophobicContact CD1-CG1 3.65Å; L124-V222 HydrophobicContact CG-CG1 4.03Å; L124-R223 PolarHBondContact N-O 3.11Å; L124-V224 WeakPolarHBondContact O-CA 3.47Å; L124-A225 PolarHBondContact O-N 3.37Å |
| 125 | V | 85.3 | Confident | 87 | Confident | 49 Ų | 49 | 76.4 Ų | 76.4 | 30% | 0.297 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 123.7 | -176.8 | -174.6 | 0 | 0 | 0 | 0 | 110 | G127 A225 K227 | V125-G127 PolarHBondContact O-N 3.33Å; V125-A225 CarbonylContact C-O 3.54Å; V125-A225 WeakPolarHBondContact CA-O 2.84Å; V125-A225 HydrophobicContact CG2-CB 4.46Å; V125-K227 HydrophobicContact CG1-CB 4.26Å |
| 126 | R | 75.9 | Confident | 87.1 | Confident | 64 Ų | 64 | 74.7 Ų | 74.7 | 24% | 0.242 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 122.6 | 170.4 | -68.3 | -176.9 | 174.2 | 150.9 | 2.7 | 109.6 | E187 V224 A225 F235 | R126-E187 IonicContact CZ-OE1 2.73Å; R126-E187 VanDerWaalsContact CZ-OE1 3.29Å; R126-E187 IonicContact NE-OE1 3.89Å; R126-E187 PolarHBondContact NE-OE1 2.72Å; R126-E187 IonicContact NH2-OE1 3.29Å; R126-E187 PolarHBondContact NH2-OE1 2.9Å; R126-V224 HydrophobicContact CG-CG1 3.65Å; R126-V224 VanDerWaalsContact NE-CG1 3.29Å; R126-A225 PolarHBondContact N-O 3.14Å; R126-F235 VanDerWaalsContact NH1-CE1 3.33Å |
| 127 | G | 72.8 | Confident | 87.2 | Confident | 39 Ų | 39 | 72.2 Ų | 72.2 | 40% | 0.402 | 37% | 0.369 | S | S | . | . | S | Bend | trans | 172.9 | -172.6 | -179 | 0 | 0 | 0 | 0 | 0 | 111.7 | V125 H129 | V125-G127 PolarHBondContact O-N 3.33Å; G127-H129 PolarHBondContact O-N 2.94Å |
| 128 | R | 63.5 | Low | 87.3 | Confident | 193 Ų | 193 | 68.4 Ų | 68.4 | 73% | 0.728 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -67.2 | 113.8 | -175.6 | -65.3 | -165.9 | -72.8 | -149.8 | 0.2 | 112.4 | Q130 D236 | R128-Q130 VanDerWaalsContact C-N 3.32Å; R128-Q130 PolarHBondContact O-N 3.19Å; R128-D236 HydrophobicContact CG-CB 4.3Å |
| 129 | H | 65.2 | Low | 87.3 | Confident | 160 Ų | 160 | 67.4 Ų | 67.4 | 74% | 0.741 | 34% | 0.342 | S | S | * | . | S | Bend | trans | 56.2 | -34.6 | 160.7 | -75.8 | -81.2 | 0 | 0 | 0 | 121.7 | G127 | G127-H129 PolarHBondContact O-N 2.94Š|
| 130 | Q | 65.4 | Low | 87.3 | Confident | 190 Ų | 190 | 67 Ų | 67 | 89% | 0.888 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -89 | -19 | -159.6 | -69.3 | 171.5 | -3.8 | 0 | 0 | 115.8 | R128 | R128-Q130 VanDerWaalsContact C-N 3.32Å; R128-Q130 PolarHBondContact O-N 3.19Å |
| 131 | Q | 79.8 | Confident | 87.2 | Confident | 84 Ų | 84 | 62.2 Ų | 62.2 | 39% | 0.393 | 31% | 0.314 | S | S | . | . | trans | -122.1 | 52.1 | -173.9 | -159.8 | 170.2 | -3 | 0 | 0 | 112.4 | Y123 S133 | Y123-Q131 PolarHBondContact O-NE2 3.36Å; Q131-S133 VanDerWaalsContact C-N 3.35Å | ||
| 132 | M | 86.8 | Confident | 87.1 | Confident | 94 Ų | 94 | 61.4 Ų | 61.4 | 46% | 0.463 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -80.4 | -18.1 | 176.3 | -63.2 | -178.3 | 113.4 | 0 | 0 | 112.9 | R183 | M132-R183 WeakPolarHBondContact O-CB 3.24Å; M132-R183 PolarHBondContact O-N 2.03Å |
| 133 | S | 92.4 | Very high | 87.1 | Confident | 58 Ų | 58 | 61.5 Ų | 61.5 | 41% | 0.406 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 155.8 | 177.3 | 53.1 | 0 | 0 | 0 | 0 | 110.7 | Q131 I181 | Q131-S133 VanDerWaalsContact C-N 3.35Å; S133-I181 CarbonylContact C-O 3.48Å; S133-I181 WeakPolarHBondContact CA-O 3.35Å |
| 134 | V | 94.1 | Very high | 87.1 | Confident | 27 Ų | 27 | 60.2 Ų | 60.2 | 16% | 0.164 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 136 | 174.8 | 65.2 | 0 | 0 | 0 | 0 | 109.9 | A122 L124 I181 V222 | A122-V134 HydrophobicContact CB-CB 4.37Å; A122-V134 HydrophobicContact CB-CG1 3.88Å; A122-V134 HydrophobicContact CB-CG2 3.7Å; L124-V134 HydrophobicContact CD1-CG1 4.42Å; L124-V134 HydrophobicContact CD2-CB 3.82Å; L124-V134 HydrophobicContact CD2-CG1 3.89Å; L124-V134 HydrophobicContact CG-CB 4.47Å; L124-V134 HydrophobicContact CG-CG1 4.1Å; V134-I181 HydrophobicContact CG1-CB 4.28Å; V134-I181 PolarHBondContact N-O 2.9Å; V134-I181 PolarHBondContact O-N 2.86Å; V134-V222 HydrophobicContact CG1-CG1 3.8Å |
| 135 | A | 95.2 | Very high | 87.3 | Confident | 50 Ų | 50 | 62.8 Ų | 62.8 | 41% | 0.413 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 122.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | V179 L180 | A135-V179 CarbonylContact C-O 3.53Å; A135-V179 WeakPolarHBondContact CA-O 3.37Å; A135-L180 HydrophobicContact CB-CD2 3.84Å |
| 136 | L | 97.1 | Very high | 87.8 | Confident | 3 Ų | 3 | 60.8 Ų | 60.8 | 2% | 0.016 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 123.4 | 165.7 | -62.1 | -178.6 | 0 | 0 | 0 | 108 | P119 A122 F148 S178 V179 I181 C199 V222 | P119-L136 HydrophobicContact CB-CB 4.19Å; A122-L136 HydrophobicContact CB-CD2 3.93Å; L136-F148 HydrophobicContact CB-CE1 4.13Å; L136-S178 CarbonylContact O-C 3.57Å; L136-S178 WeakPolarHBondContact O-CA 3.27Å; L136-V179 HydrophobicContact CB-CG2 4.02Å; L136-V179 PolarHBondContact N-O 2.9Å; L136-V179 PolarHBondContact O-N 2.73Å; L136-I181 HydrophobicContact CD1-CG1 3.95Å; L136-I181 HydrophobicContact CG-CG1 4.18Å; L136-C199 HydrophobicContact CD1-CB 3.61Å; L136-V222 HydrophobicContact CD1-CG2 3.98Å; L136-V222 HydrophobicContact CD2-CG2 4.28Å; L136-V222 HydrophobicContact CG-CG2 4.47Å |
| 137 | T | 97.5 | Very high | 88.8 | Confident | 32 Ų | 32 | 62.1 Ų | 62.1 | 20% | 0.196 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 143 | -175.7 | -57.2 | 0 | 0 | 0 | 0 | 110.1 | P119 Q176 | P119-T137 VanDerWaalsContact CA-O 3.23Å; P119-T137 WeakPolarHBondContact CA-O 3.35Å; T137-Q176 HydrophobicContact CG2-CG 3.76Å; T137-Q176 VanDerWaalsContact CG2-NE2 3.29Å |
| 138 | C | 97.7 | Very high | 90 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 135.8 | 174.9 | -172.2 | 0 | 0 | 0 | 0 | 109.7 | L115 E117 I146 F148 Q176 T177 C201 | L115-C138 VanDerWaalsContact CD2-SG 3.52Å; E117-C138 WeakPolarHBondContact O-CA 3.42Å; C138-I146 HydrophobicContact CB-CG2 4.25Å; C138-F148 HydrophobicContact CB-CE1 4.3Å; C138-F148 HydrophobicContact CB-CE2 4.2Å; C138-F148 HydrophobicContact CB-CZ 3.57Å; C138-Q176 CarbonylContact O-C 3.51Å; C138-Q176 VanDerWaalsContact O-CA 3.28Å; C138-Q176 WeakPolarHBondContact O-CA 3.08Å; C138-T177 PolarHBondContact N-O 2.74Å; C138-T177 PolarHBondContact O-N 2.63Å; C138-C201 HydrophobicContact CB-CB 3.72Å; C138-C201 WeakPolarHBondContact CB-SG 3.29Å; C138-C201 WeakPolarHBondContact SG-CB 3.37Å; C138-C201 CovalentContact SG-SG 2.03Å; C138-C201 PolarHBondContact SG-SG 2.91Å |
| 139 | K | 97.5 | Very high | 91.6 | Very high | 29 Ų | 29 | 53.7 Ų | 53.7 | 13% | 0.126 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 130 | -179 | -170.6 | -178.8 | 171.7 | -169 | 0 | 110.2 | I116 E117 D167 F174 V175 Q176 | I116-K139 PolarHBondContact N-O 2.69Å; E117-K139 HydrophobicContact CB-CB 3.6Å; E117-K139 PolarHBondContact N-O 3.1Å; E117-K139 PolarHBondContact O-N 3.19Å; K139-D167 IonicContact NZ-OD1 3.75Å; K139-D167 PolarHBondContact NZ-OD1 2.81Å; K139-F174 HydrophobicContact CD-CD2 3.88Å; K139-F174 HydrophobicContact CD-CE2 4.18Å; K139-F174 HydrophobicContact CD-CG 4.22Å; K139-F174 VanDerWaalsContact CE-CD1 3.5Å; K139-F174 HydrophobicContact CG-CB 4.21Å; K139-F174 HydrophobicContact CG-CD2 3.66Å; K139-F174 HydrophobicContact CG-CE2 4.32Å; K139-F174 HydrophobicContact CG-CG 4.14Å; K139-V175 WeakPolarHBondContact CA-O 3.46Å; K139-Q176 HydrophobicContact CB-CB 4.36Å; K139-Q176 HydrophobicContact CB-CG 4.4Å; K139-Q176 HydrophobicContact CG-CB 4.21Å |
| 140 | A | 96.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 143.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | V114 A143 I146 F174 V175 A203 | V114-A140 CarbonylContact O-C 3.47Å; V114-A140 WeakPolarHBondContact O-CA 3.33Å; A140-A143 HydrophobicContact CB-CB 3.8Å; A140-I146 HydrophobicContact CB-CD1 3.96Å; A140-I146 HydrophobicContact CB-CG1 4.5Å; A140-F174 WeakPolarHBondContact O-CA 3.18Å; A140-V175 PolarHBondContact N-O 2.88Å; A140-V175 PolarHBondContact O-N 2.82Å; A140-A203 HydrophobicContact CB-CB 3.74Å |
| 141 | L | 95.6 | Very high | 94.6 | Very high | 18 Ų | 18 | 39.1 Ų | 39.1 | 9% | 0.094 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 153.2 | 167.2 | -60.9 | 175.7 | 0 | 0 | 0 | 110.1 | P113 V114 I116 A143 D167 A170 I172 F174 | P113-L141 VanDerWaalsContact CA-O 3.29Å; P113-L141 WeakPolarHBondContact CA-O 3.25Å; V114-L141 HydrophobicContact CB-CB 4.49Å; V114-L141 PolarHBondContact N-O 2.96Å; V114-L141 PolarHBondContact O-N 2.9Å; I116-L141 HydrophobicContact CD1-CD1 3.75Å; I116-L141 HydrophobicContact CD1-CD2 3.47Å; I116-L141 VanDerWaalsContact CD1-CD2 3.47Å; I116-L141 HydrophobicContact CD1-CG 3.28Å; I116-L141 HydrophobicContact CG1-CD1 4.01Å; I116-L141 HydrophobicContact CG1-CD2 4.44Å; I116-L141 HydrophobicContact CG1-CG 3.72Å; L141-A143 PolarHBondContact O-N 2.98Å; L141-D167 HydrophobicContact CD2-CB 4.15Å; L141-A170 HydrophobicContact CD1-CB 3.82Å; L141-I172 HydrophobicContact CD2-CB 4.41Å; L141-I172 HydrophobicContact CD2-CG2 4.32Å; L141-F174 HydrophobicContact CD2-CB 3.79Å |
| 142 | H | 93.3 | Very high | 95.2 | Very high | 71 Ų | 71 | 37.7 Ų | 37.7 | 33% | 0.329 | 21% | 0.212 | S | C | . | . | S | Bend | trans | 54.7 | 20.6 | 178.5 | -48.9 | -70.4 | 0 | 0 | 0 | 113.7 | A111 I172 | A111-H142 HydrophobicContact CB-CB 3.77Å; H142-I172 VanDerWaalsContact CE1-CG2 3.41Å; H142-I172 WeakPolarHBondContact CE1-CG2 3.47Å |
| 143 | A | 94.1 | Very high | 95.7 | Very high | 13 Ų | 13 | 38 Ų | 38 | 11% | 0.107 | 22% | 0.22 | C | C | . | . | trans | -93 | 134.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | P113 A140 L141 I146 V175 A203 F204 | P113-A143 HydrophobicContact CB-CB 4.24Å; A140-A143 HydrophobicContact CB-CB 3.8Å; L141-A143 PolarHBondContact O-N 2.98Å; A143-I146 HydrophobicContact CB-CG1 4.46Å; A143-V175 WeakPolarHBondContact O-CG2 3.09Å; A143-A203 HydrophobicContact CB-CB 4.15Å; A143-F204 CarbonylContact C-O 3.52Å; A143-F204 WeakPolarHBondContact CA-O 3.5Å | ||
| 144 | D | 92.8 | Very high | 95.9 | Very high | 90 Ų | 90 | 40.5 Ų | 40.5 | 48% | 0.481 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -77 | -44.3 | 167.5 | 173.2 | 53.8 | 0 | 0 | 0 | 109.9 | R162 F204 | D144-R162 VanDerWaalsContact O-CZ 3.23Å; D144-R162 PolarHBondContact O-NH1 2.81Å; D144-R162 PolarHBondContact O-NH2 2.81Å; D144-F204 PolarHBondContact N-O 2.78Å |
| 145 | H | 94.4 | Very high | 96 | Very high | 55 Ų | 55 | 40 Ų | 40 | 26% | 0.255 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 159.5 | 175.6 | 63 | -83 | 0 | 0 | 0 | 113.5 | R162 F204 | H145-R162 VanDerWaalsContact CA-NH1 3.3Å; H145-F204 AromaticContact CD2-CD2 3.66Å; H145-F204 AromaticContact CE1-CG 3.9Å; H145-F204 PolarHBondContact N-O 2.71Å; H145-F204 AromaticContact NE2-CD2 3.44Å; H145-F204 WeakPolarHBondContact NE2-CD2 3.5Å; H145-F204 AromaticContact NE2-CG 3.5Å; H145-F204 WeakPolarHBondContact NE2-CG 3.47Å; H145-F204 PolarHBondContact O-N 2.87Å |
| 146 | I | 96.6 | Very high | 96 | Very high | 7 Ų | 7 | 44.7 Ų | 44.7 | 4% | 0.036 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 132.4 | 179.1 | -62.6 | 174.6 | 0 | 0 | 0 | 108.6 | C138 A140 A143 F148 V175 C201 Y202 A203 | C138-I146 HydrophobicContact CB-CG2 4.25Å; A140-I146 HydrophobicContact CB-CD1 3.96Å; A140-I146 HydrophobicContact CB-CG1 4.5Å; A143-I146 HydrophobicContact CB-CG1 4.46Å; I146-F148 HydrophobicContact CG2-CE2 4.36Å; I146-V175 HydrophobicContact CD1-CB 4.27Å; I146-V175 HydrophobicContact CD1-CG1 4.14Å; I146-V175 VanDerWaalsContact CD1-O 3.23Å; I146-V175 WeakPolarHBondContact CD1-O 3.45Å; I146-V175 HydrophobicContact CG1-CG1 4.21Å; I146-C201 WeakPolarHBondContact CG2-SG 3.22Å; I146-Y202 CarbonylContact C-O 3.49Å; I146-Y202 VanDerWaalsContact CA-O 3.32Å; I146-Y202 WeakPolarHBondContact CA-O 3.31Å; I146-A203 HydrophobicContact CG1-CB 4.19Å |
| 147 | R | 97 | Very high | 95.9 | Very high | 91 Ų | 91 | 49 Ų | 49 | 34% | 0.343 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 149.2 | 172.9 | -75.4 | -177.8 | 164.1 | 167 | 0.5 | 111.4 | W154 D157 Y202 F204 | R147-W154 HydrophobicContact CB-CE3 3.96Å; R147-W154 HydrophobicContact CB-CZ3 3.75Å; R147-D157 IonicContact CZ-OD1 3.32Å; R147-D157 IonicContact CZ-OD2 2.77Å; R147-D157 IonicContact NE-OD1 2.63Å; R147-D157 PolarHBondContact NE-OD1 3.25Å; R147-D157 IonicContact NE-OD2 3.53Å; R147-D157 IonicContact NH2-OD1 2.94Å; R147-D157 PolarHBondContact NH2-OD1 3.18Å; R147-D157 IonicContact NH2-OD2 3.88Å; R147-D157 PolarHBondContact NH2-OD2 3.42Å; R147-Y202 PolarHBondContact N-O 2.91Å; R147-Y202 PolarHBondContact O-N 2.9Å; R147-F204 HydrophobicContact CB-CE2 4.2Å |
| 148 | F | 97.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 139.7 | 174.1 | -76.7 | -94.8 | 0 | 0 | 0 | 111.5 | P119 L136 C138 I146 V155 H160 T177 V179 E200 C201 | P119-F148 HydrophobicContact CB-CE1 4.18Å; P119-F148 HydrophobicContact CG-CE1 4.13Å; L136-F148 HydrophobicContact CB-CE1 4.13Å; C138-F148 HydrophobicContact CB-CE1 4.3Å; C138-F148 HydrophobicContact CB-CE2 4.2Å; C138-F148 HydrophobicContact CB-CZ 3.57Å; I146-F148 HydrophobicContact CG2-CE2 4.36Å; F148-V155 HydrophobicContact CB-CB 4.26Å; F148-V155 HydrophobicContact CB-CG2 3.97Å; F148-V155 PolarHBondContact O-N 3.37Å; F148-H160 AromaticContact CD2-CD2 3.82Å; F148-H160 AromaticContact CD2-NE2 3.87Å; F148-H160 PolarHBondContact N-NE2 2.77Å; F148-T177 HydrophobicContact CE2-CG2 4.22Å; F148-V179 HydrophobicContact CB-CG1 4.12Å; F148-V179 HydrophobicContact CB-CG2 4.14Å; F148-V179 HydrophobicContact CD1-CG2 3.83Å; F148-V179 HydrophobicContact CD2-CB 4.29Å; F148-V179 HydrophobicContact CD2-CG1 3.48Å; F148-V179 VanDerWaalsContact CD2-CG1 3.48Å; F148-V179 HydrophobicContact CD2-CG2 3.81Å; F148-V179 HydrophobicContact CE1-CG2 4.11Å; F148-V179 HydrophobicContact CE2-CG1 4.07Å; F148-V179 HydrophobicContact CE2-CG2 4.1Å; F148-V179 HydrophobicContact CG-CB 4.47Å; F148-V179 HydrophobicContact CG-CG1 3.93Å; F148-V179 HydrophobicContact CG-CG2 3.65Å; F148-V179 HydrophobicContact CZ-CG2 4.23Å; F148-E200 WeakPolarHBondContact CA-O 3.46Å; F148-C201 HydrophobicContact CD1-CB 4.4Å; F148-C201 HydrophobicContact CE1-CB 4.04Å; F148-C201 HydrophobicContact CZ-CB 4.4Å |
| 149 | K | 97.7 | Very high | 95.6 | Very high | 55 Ų | 55 | 56.6 Ų | 56.6 | 24% | 0.239 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 110.7 | 171.4 | -166.6 | 178.3 | -173.3 | 177.8 | 0 | 109 | G152 V153 W154 C199 E200 Y202 | K149-G152 VanDerWaalsContact CE-C 3.43Å; K149-G152 WeakPolarHBondContact CE-O 3.3Å; K149-V153 CarbonylContact C-O 3.47Å; K149-V153 WeakPolarHBondContact CA-O 3.12Å; K149-W154 HydrophobicContact CB-CD2 4.23Å; K149-W154 HydrophobicContact CB-CE3 3.86Å; K149-W154 HydrophobicContact CB-CH2 4.41Å; K149-W154 HydrophobicContact CB-CZ3 3.96Å; K149-W154 HydrophobicContact CD-CD2 4.36Å; K149-W154 HydrophobicContact CD-CH2 4.45Å; K149-W154 HydrophobicContact CD-CZ2 4.11Å; K149-W154 HydrophobicContact CG-CD2 4.2Å; K149-W154 HydrophobicContact CG-CE3 4.34Å; K149-C199 CarbonylContact O-C 3.54Å; K149-C199 WeakPolarHBondContact O-CA 3.43Å; K149-E200 PolarHBondContact N-O 2.68Å; K149-E200 PolarHBondContact O-N 3.43Å; K149-Y202 HydrophobicContact CB-CD2 4.01Å; K149-Y202 HydrophobicContact CB-CE2 3.65Å; K149-Y202 HydrophobicContact CD-CE2 3.98Å; K149-Y202 HydrophobicContact CG-CE2 4.48Å |
| 150 | C | 97.2 | Very high | 95.6 | Very high | 5 Ų | 5 | 56.5 Ų | 56.5 | 3% | 0.034 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 126.2 | -180 | -62.8 | 0 | 0 | 0 | 0 | 110.2 | G152 V153 V155 Y197 A198 C199 | C150-G152 PolarHBondContact O-N 2.93Å; C150-G152 VanDerWaalsContact O-N 3.11Å; C150-V153 PolarHBondContact N-O 3.03Å; C150-V153 PolarHBondContact O-N 3.09Å; C150-V155 HydrophobicContact CB-CG2 4.26Å; C150-Y197 HydrophobicContact CB-CE1 3.82Å; C150-A198 CarbonylContact C-O 3.54Å; C150-A198 VanDerWaalsContact CA-O 3.27Å; C150-A198 WeakPolarHBondContact CA-O 3.45Å; C150-C199 HydrophobicContact CB-CB 4.16Å; C150-C199 WeakPolarHBondContact CB-SG 3.39Å; C150-C199 WeakPolarHBondContact SG-CB 3.17Å; C150-C199 CovalentContact SG-SG 2.04Å; C150-C199 PolarHBondContact SG-SG 3.32Å |
| 151 | N | 94.9 | Very high | 95.7 | Very high | 40 Ų | 40 | 60.7 Ų | 60.7 | 21% | 0.214 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 51.8 | 34.8 | -179.8 | -56.5 | -45.7 | 0 | 0 | 0 | 113.8 | V153 Y189 Y197 A198 | N151-V153 VanDerWaalsContact C-N 3.32Å; N151-V153 PolarHBondContact O-N 3.43Å; N151-Y189 HydrophobicContact CB-CD2 4.38Å; N151-Y189 HydrophobicContact CB-CE1 4.05Å; N151-Y189 HydrophobicContact CB-CE2 3.6Å; N151-Y189 VanDerWaalsContact CB-CZ 3.44Å; N151-Y189 WeakPolarHBondContact CB-OH 3.36Å; N151-Y189 WeakPolarHBondContact OD1-CE1 3.4Å; N151-Y197 WeakPolarHBondContact ND2-CD2 3.15Å; N151-Y197 WeakPolarHBondContact ND2-CE2 3.44Å; N151-Y197 WeakPolarHBondContact OD1-CA 3.07Å; N151-A198 PolarHBondContact N-O 2.94Å; N151-A198 PolarHBondContact OD1-N 3.17Å; N151-A198 PolarHBondContact OD1-O 2.93Å |
| 152 | G | 93.9 | Very high | 95.7 | Very high | 53 Ų | 53 | 64.7 Ų | 64.7 | 55% | 0.546 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.8 | -3.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | K149 C150 | K149-G152 VanDerWaalsContact CE-C 3.43Å; K149-G152 WeakPolarHBondContact CE-O 3.3Å; C150-G152 PolarHBondContact O-N 2.93Å; C150-G152 VanDerWaalsContact O-N 3.11Å |
| 153 | V | 95.7 | Very high | 95.9 | Very high | 101 Ų | 101 | 68.2 Ų | 68.2 | 61% | 0.612 | 35% | 0.348 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 134.4 | -179.7 | -176.3 | 0 | 0 | 0 | 0 | 110.2 | K149 C150 N151 | K149-V153 CarbonylContact C-O 3.47Å; K149-V153 WeakPolarHBondContact CA-O 3.12Å; C150-V153 PolarHBondContact N-O 3.03Å; C150-V153 PolarHBondContact O-N 3.09Å; N151-V153 VanDerWaalsContact C-N 3.32Å; N151-V153 PolarHBondContact O-N 3.43Å |
| 154 | W | 96.8 | Very high | 96 | Very high | 110 Ų | 110 | 73.9 Ų | 73.9 | 42% | 0.417 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 130.3 | 174.4 | -68.3 | 107.7 | 0 | 0 | 0 | 110.6 | R147 K149 Y202 F204 | R147-W154 HydrophobicContact CB-CE3 3.96Å; R147-W154 HydrophobicContact CB-CZ3 3.75Å; K149-W154 HydrophobicContact CB-CD2 4.23Å; K149-W154 HydrophobicContact CB-CE3 3.86Å; K149-W154 HydrophobicContact CB-CH2 4.41Å; K149-W154 HydrophobicContact CB-CZ3 3.96Å; K149-W154 HydrophobicContact CD-CD2 4.36Å; K149-W154 HydrophobicContact CD-CH2 4.45Å; K149-W154 HydrophobicContact CD-CZ2 4.11Å; K149-W154 HydrophobicContact CG-CD2 4.2Å; K149-W154 HydrophobicContact CG-CE3 4.34Å; W154-Y202 AromaticContact CH2-CD1 3.98Å; W154-Y202 HydrophobicContact CH2-CD1 3.98Å; W154-Y202 AromaticContact CH2-CD2 3.6Å; W154-Y202 HydrophobicContact CH2-CD2 3.6Å; W154-Y202 HydrophobicContact CH2-CE1 4.39Å; W154-Y202 HydrophobicContact CH2-CE2 4.06Å; W154-Y202 AromaticContact CH2-CG 3.55Å; W154-Y202 HydrophobicContact CH2-CG 3.55Å; W154-Y202 AromaticContact CZ3-CD2 3.71Å; W154-Y202 HydrophobicContact CZ3-CD2 3.71Å; W154-Y202 HydrophobicContact CZ3-CE2 4.39Å; W154-Y202 AromaticContact CZ3-CG 3.93Å; W154-Y202 HydrophobicContact CZ3-CG 3.93Å; W154-F204 HydrophobicContact CH2-CE2 4.43Å; W154-F204 HydrophobicContact CH2-CZ 4.02Å |
| 155 | V | 97 | Very high | 96.1 | Very high | 17 Ų | 17 | 70.9 Ų | 70.9 | 10% | 0.103 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -68.8 | 147.7 | 172 | 179 | 0 | 0 | 0 | 0 | 108.3 | F148 C150 E159 H160 V179 | F148-V155 HydrophobicContact CB-CB 4.26Å; F148-V155 HydrophobicContact CB-CG2 3.97Å; F148-V155 PolarHBondContact O-N 3.37Å; C150-V155 HydrophobicContact CB-CG2 4.26Å; V155-E159 HydrophobicContact CG1-CB 3.8Å; V155-E159 HydrophobicContact CG1-CG 4.01Å; V155-E159 WeakPolarHBondContact CG1-OE2 3.26Å; V155-H160 PolarHBondContact O-CE1 2.75Å; V155-V179 HydrophobicContact CG1-CG1 4.1Å |
| 156 | Q | 95.6 | Very high | 96.2 | Very high | 148 Ų | 148 | 74.4 Ų | 74.4 | 69% | 0.692 | 38% | 0.382 | S | S | * | . | P | Polyproline II helix | trans | -75.3 | 143.2 | -179.9 | -66.3 | -178.9 | -6.7 | 0 | 0 | 110.7 | A158 E159 H160 | Q156-A158 PolarHBondContact O-N 3.04Å; Q156-E159 PolarHBondContact O-N 3.17Å; Q156-H160 PolarHBondContact O-CE1 2.93Å; Q156-H160 PolarHBondContact O-ND1 3.34Å |
| 157 | D | 94 | Very high | 96 | Very high | 93 Ų | 93 | 74.9 Ų | 74.9 | 50% | 0.497 | 39% | 0.385 | S | S | . | . | G | 310 helix | trans | -56.4 | -26.5 | 180 | -64.8 | -37.2 | 0 | 0 | 0 | 112.5 | R147 E159 H160 | R147-D157 IonicContact CZ-OD1 3.32Å; R147-D157 IonicContact CZ-OD2 2.77Å; R147-D157 IonicContact NE-OD1 2.63Å; R147-D157 PolarHBondContact NE-OD1 3.25Å; R147-D157 IonicContact NE-OD2 3.53Å; R147-D157 IonicContact NH2-OD1 2.94Å; R147-D157 PolarHBondContact NH2-OD1 3.18Å; R147-D157 IonicContact NH2-OD2 3.88Å; R147-D157 PolarHBondContact NH2-OD2 3.42Å; D157-E159 VanDerWaalsContact C-N 3.3Å; D157-E159 PolarHBondContact O-N 2.04Å; D157-H160 WeakPolarHBondContact CA-ND1 3.42Å; D157-H160 WeakPolarHBondContact O-CB 3.38Å; D157-H160 PolarHBondContact O-N 3.11Å |
| 158 | A | 94.8 | Very high | 95.7 | Very high | 100 Ų | 100 | 76.2 Ų | 76.2 | 83% | 0.826 | 41% | 0.408 | S | S | * | . | G | 310 helix | trans | -66.6 | -23.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q156 | Q156-A158 PolarHBondContact O-N 3.04Š|
| 159 | E | 95.4 | Very high | 95.4 | Very high | 92 Ų | 92 | 82.6 Ų | 82.6 | 43% | 0.43 | 45% | 0.446 | S | S | . | . | G | 310 helix | trans | -90.6 | -4.3 | 176.7 | -172.4 | 171.7 | -170.5 | 0 | 0 | 111.9 | V155 Q156 D157 L180 | V155-E159 HydrophobicContact CG1-CB 3.8Å; V155-E159 HydrophobicContact CG1-CG 4.01Å; V155-E159 WeakPolarHBondContact CG1-OE2 3.26Å; Q156-E159 PolarHBondContact O-N 3.17Å; D157-E159 VanDerWaalsContact C-N 3.3Å; D157-E159 PolarHBondContact O-N 2.04Å; E159-L180 VanDerWaalsContact OE1-O 3.11Å |
| 160 | H | 97.1 | Very high | 94.9 | Very high | 27 Ų | 27 | 82.2 Ų | 82.2 | 13% | 0.125 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 117.6 | 178 | -66 | 77.8 | 0 | 0 | 0 | 110.5 | F148 V155 Q156 D157 R162 T177 | F148-H160 AromaticContact CD2-CD2 3.82Å; F148-H160 AromaticContact CD2-NE2 3.87Å; F148-H160 PolarHBondContact N-NE2 2.77Å; V155-H160 PolarHBondContact O-CE1 2.75Å; Q156-H160 PolarHBondContact O-CE1 2.93Å; Q156-H160 PolarHBondContact O-ND1 3.34Å; D157-H160 WeakPolarHBondContact CA-ND1 3.42Å; D157-H160 WeakPolarHBondContact O-CB 3.38Å; D157-H160 PolarHBondContact O-N 3.11Å; H160-R162 PolarHBondContact O-N 3.45Å; H160-T177 HydrophobicContact CB-CG2 3.65Å |
| 161 | E | 97.5 | Very high | 94.7 | Very high | 89 Ų | 89 | 84.7 Ų | 84.7 | 42% | 0.416 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 99.1 | 166 | -173.8 | -175.6 | 167.1 | 0 | 0 | 108.8 | R163 T177 S178 | E161-R163 IonicContact OE1-CZ 2.69Å; E161-R163 VanDerWaalsContact OE1-CZ 3.29Å; E161-R163 IonicContact OE1-NE 3.22Å; E161-R163 PolarHBondContact OE1-NE 2.72Å; E161-R163 VanDerWaalsContact OE1-NE 3.1Å; E161-R163 IonicContact OE1-NH2 3.1Å; E161-R163 PolarHBondContact OE1-NH2 2.89Å; E161-T177 CarbonylContact O-C 3.59Å; E161-T177 WeakPolarHBondContact O-CA 3.19Å; E161-S178 PolarHBondContact N-O 2.82Å; E161-S178 PolarHBondContact O-N 2.87Å |
| 162 | R | 96.5 | Very high | 94.6 | Very high | 101 Ų | 101 | 85.4 Ų | 85.4 | 38% | 0.381 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 138.2 | 178.1 | -179.1 | -173.8 | 168.7 | 109.8 | -1.6 | 111.1 | D144 H145 H160 E164 V175 Q176 | D144-R162 VanDerWaalsContact O-CZ 3.23Å; D144-R162 PolarHBondContact O-NH1 2.81Å; D144-R162 PolarHBondContact O-NH2 2.81Å; H145-R162 VanDerWaalsContact CA-NH1 3.3Å; H160-R162 PolarHBondContact O-N 3.45Å; R162-E164 IonicContact CZ-OE1 2.74Å; R162-E164 IonicContact NE-OE1 2.87Å; R162-E164 PolarHBondContact NE-OE1 2.87Å; R162-E164 IonicContact NH2-OE1 3.06Å; R162-E164 PolarHBondContact NH2-OE1 3.39Å; R162-V175 HydrophobicContact CG-CG1 4.25Å; R162-Q176 CarbonylContact C-O 3.6Å; R162-Q176 WeakPolarHBondContact CA-O 3.45Å |
| 163 | R | 97 | Very high | 94.6 | Very high | 146 Ų | 146 | 87.1 Ų | 87.1 | 55% | 0.551 | 49% | 0.485 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 145.1 | 173.2 | -62.5 | -173.4 | -178.4 | -173.4 | 0.3 | 109.7 | E161 Q176 | E161-R163 IonicContact OE1-CZ 2.69Å; E161-R163 VanDerWaalsContact OE1-CZ 3.29Å; E161-R163 IonicContact OE1-NE 3.22Å; E161-R163 PolarHBondContact OE1-NE 2.72Å; E161-R163 VanDerWaalsContact OE1-NE 3.1Å; E161-R163 IonicContact OE1-NH2 3.1Å; E161-R163 PolarHBondContact OE1-NH2 2.89Å; R163-Q176 PolarHBondContact N-O 2.78Å; R163-Q176 PolarHBondContact O-N 2.9Å |
| 164 | E | 96 | Very high | 94.6 | Very high | 132 Ų | 132 | 83.6 Ų | 83.6 | 62% | 0.617 | 46% | 0.461 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 152.5 | 178.1 | -68.3 | 170 | -152.1 | 0 | 0 | 109.4 | R162 F174 V175 | R162-E164 IonicContact CZ-OE1 2.74Å; R162-E164 IonicContact NE-OE1 2.87Å; R162-E164 PolarHBondContact NE-OE1 2.87Å; R162-E164 IonicContact NH2-OE1 3.06Å; R162-E164 PolarHBondContact NH2-OE1 3.39Å; E164-F174 WeakPolarHBondContact CA-O 3.09Å; E164-V175 HydrophobicContact CG-CG2 4.27Å |
| 165 | G | 95.7 | Very high | 94.6 | Very high | 27 Ų | 27 | 78.8 Ų | 78.8 | 28% | 0.278 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -171.2 | -175.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | P173 F174 | G165-P173 CarbonylContact O-C 3.59Å; G165-P173 VanDerWaalsContact O-CA 3.24Å; G165-P173 WeakPolarHBondContact O-CA 2.95Å; G165-F174 VanDerWaalsContact C-CD1 3.45Å; G165-F174 VanDerWaalsContact C-CE1 3.45Å; G165-F174 PolarHBondContact N-O 2.84Å; G165-F174 VanDerWaalsContact N-O 3.17Å; G165-F174 VanDerWaalsContact O-CD1 3.32Å; G165-F174 WeakPolarHBondContact O-CD1 3.43Å; G165-F174 PolarHBondContact O-N 2.7Å |
| 166 | I | 95.5 | Very high | 94.6 | Very high | 128 Ų | 128 | 80.3 Ų | 80.3 | 66% | 0.656 | 45% | 0.45 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 129.8 | 172.7 | -59.4 | 173.5 | 0 | 0 | 0 | 107.1 | S168 | I166-S168 PolarHBondContact O-N 2.81Å |
| 167 | D | 92.8 | Very high | 94.8 | Very high | 18 Ų | 18 | 73.3 Ų | 73.3 | 10% | 0.096 | 42% | 0.417 | C | S | . | . | trans | -74.6 | 128.4 | 178.7 | -171.8 | 76.8 | 0 | 0 | 0 | 109.2 | K139 L141 V169 A170 G171 I172 F174 | K139-D167 IonicContact NZ-OD1 3.75Å; K139-D167 PolarHBondContact NZ-OD1 2.81Å; L141-D167 HydrophobicContact CD2-CB 4.15Å; D167-V169 PolarHBondContact O-N 3.4Å; D167-V169 WeakPolarHBondContact OD2-CA 3.33Å; D167-V169 WeakPolarHBondContact OD2-CB 3.46Å; D167-V169 PolarHBondContact OD2-N 3.32Å; D167-A170 HydrophobicContact CB-CB 4.17Å; D167-A170 PolarHBondContact OD2-N 2.94Å; D167-G171 VanDerWaalsContact O-CA 3.29Å; D167-G171 WeakPolarHBondContact O-CA 3.33Å; D167-G171 PolarHBondContact O-N 2.77Å; D167-I172 PolarHBondContact N-O 3.49Å; D167-F174 HydrophobicContact CB-CD1 4.02Å | ||
| 168 | S | 91 | Very high | 94.9 | Very high | 119 Ų | 119 | 69.6 Ų | 69.6 | 83% | 0.832 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -24.2 | -176.1 | 55.1 | 0 | 0 | 0 | 0 | 113.2 | I166 | I166-S168 PolarHBondContact O-N 2.81Š|
| 169 | V | 90.5 | Very high | 95 | Very high | 134 Ų | 134 | 64.8 Ų | 64.8 | 81% | 0.812 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | -46.8 | -178.7 | -176 | 0 | 0 | 0 | 0 | 110 | D167 | D167-V169 PolarHBondContact O-N 3.4Å; D167-V169 WeakPolarHBondContact OD2-CA 3.33Å; D167-V169 WeakPolarHBondContact OD2-CB 3.46Å; D167-V169 PolarHBondContact OD2-N 3.32Å |
| 170 | A | 88.6 | Confident | 95.1 | Very high | 46 Ų | 46 | 64.8 Ų | 64.8 | 38% | 0.38 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | -23.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | L141 D167 I172 | L141-A170 HydrophobicContact CD1-CB 3.82Å; D167-A170 HydrophobicContact CB-CB 4.17Å; D167-A170 PolarHBondContact OD2-N 2.94Å; A170-I172 HydrophobicContact CB-CB 4.35Å; A170-I172 HydrophobicContact CB-CD1 4.44Å; A170-I172 WeakPolarHBondContact O-CG1 3.39Å; A170-I172 PolarHBondContact O-N 2.88Å |
| 171 | G | 92.9 | Very high | 95 | Very high | 58 Ų | 58 | 63.5 Ų | 63.5 | 60% | 0.598 | 36% | 0.356 | S | S | * | . | trans | 68.5 | 15.1 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | D167 | D167-G171 VanDerWaalsContact O-CA 3.29Å; D167-G171 WeakPolarHBondContact O-CA 3.33Å; D167-G171 PolarHBondContact O-N 2.77Å | ||
| 172 | I | 92.3 | Very high | 94.8 | Very high | 54 Ų | 54 | 61.4 Ų | 61.4 | 28% | 0.277 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -118.8 | 147.7 | -172.5 | -66.4 | 165 | 0 | 0 | 0 | 108.6 | L141 H142 D167 A170 F174 | L141-I172 HydrophobicContact CD2-CB 4.41Å; L141-I172 HydrophobicContact CD2-CG2 4.32Å; H142-I172 VanDerWaalsContact CE1-CG2 3.41Å; H142-I172 WeakPolarHBondContact CE1-CG2 3.47Å; D167-I172 PolarHBondContact N-O 3.49Å; A170-I172 HydrophobicContact CB-CB 4.35Å; A170-I172 HydrophobicContact CB-CD1 4.44Å; A170-I172 WeakPolarHBondContact O-CG1 3.39Å; A170-I172 PolarHBondContact O-N 2.88Å; I172-F174 PolarHBondContact O-N 3.39Å |
| 173 | P | 94.2 | Very high | 94.5 | Very high | 89 Ų | 89 | 59.4 Ų | 59.4 | 58% | 0.578 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.1 | 137.4 | 174.4 | 25.2 | -35.8 | 0 | 0 | 0 | 112.3 | G165 | G165-P173 CarbonylContact O-C 3.59Å; G165-P173 VanDerWaalsContact O-CA 3.24Å; G165-P173 WeakPolarHBondContact O-CA 2.95Å |
| 174 | F | 96 | Very high | 94.3 | Very high | 28 Ų | 28 | 58.4 Ų | 58.4 | 12% | 0.123 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 152.7 | 172 | 73.8 | -96.7 | 0 | 0 | 0 | 110.7 | K139 A140 L141 E164 G165 D167 I172 Q176 | K139-F174 HydrophobicContact CD-CD2 3.88Å; K139-F174 HydrophobicContact CD-CE2 4.18Å; K139-F174 HydrophobicContact CD-CG 4.22Å; K139-F174 VanDerWaalsContact CE-CD1 3.5Å; K139-F174 HydrophobicContact CG-CB 4.21Å; K139-F174 HydrophobicContact CG-CD2 3.66Å; K139-F174 HydrophobicContact CG-CE2 4.32Å; K139-F174 HydrophobicContact CG-CG 4.14Å; A140-F174 WeakPolarHBondContact O-CA 3.18Å; L141-F174 HydrophobicContact CD2-CB 3.79Å; E164-F174 WeakPolarHBondContact CA-O 3.09Å; G165-F174 VanDerWaalsContact C-CD1 3.45Å; G165-F174 VanDerWaalsContact C-CE1 3.45Å; G165-F174 PolarHBondContact N-O 2.84Å; G165-F174 VanDerWaalsContact N-O 3.17Å; G165-F174 VanDerWaalsContact O-CD1 3.32Å; G165-F174 WeakPolarHBondContact O-CD1 3.43Å; G165-F174 PolarHBondContact O-N 2.7Å; D167-F174 HydrophobicContact CB-CD1 4.02Å; I172-F174 PolarHBondContact O-N 3.39Å; F174-Q176 HydrophobicContact CD2-CB 4.01Å; F174-Q176 HydrophobicContact CE2-CB 3.82Å |
| 175 | V | 96.8 | Very high | 94.1 | Very high | 9 Ų | 9 | 53.3 Ų | 53.3 | 6% | 0.055 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 131.8 | 165.4 | -178.3 | 0 | 0 | 0 | 0 | 107.6 | K139 A140 A143 I146 R162 E164 | K139-V175 WeakPolarHBondContact CA-O 3.46Å; A140-V175 PolarHBondContact N-O 2.88Å; A140-V175 PolarHBondContact O-N 2.82Å; A143-V175 WeakPolarHBondContact O-CG2 3.09Å; I146-V175 HydrophobicContact CD1-CB 4.27Å; I146-V175 HydrophobicContact CD1-CG1 4.14Å; I146-V175 VanDerWaalsContact CD1-O 3.23Å; I146-V175 WeakPolarHBondContact CD1-O 3.45Å; I146-V175 HydrophobicContact CG1-CG1 4.21Å; R162-V175 HydrophobicContact CG-CG1 4.25Å; E164-V175 HydrophobicContact CG-CG2 4.27Å |
| 176 | Q | 97.5 | Very high | 94.1 | Very high | 48 Ų | 48 | 52.2 Ų | 52.2 | 22% | 0.224 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 130.1 | 173.6 | 179.4 | 178.4 | -25.2 | 0 | 0 | 108.6 | T137 C138 K139 R162 R163 F174 | T137-Q176 HydrophobicContact CG2-CG 3.76Å; T137-Q176 VanDerWaalsContact CG2-NE2 3.29Å; C138-Q176 CarbonylContact O-C 3.51Å; C138-Q176 VanDerWaalsContact O-CA 3.28Å; C138-Q176 WeakPolarHBondContact O-CA 3.08Å; K139-Q176 HydrophobicContact CB-CB 4.36Å; K139-Q176 HydrophobicContact CB-CG 4.4Å; K139-Q176 HydrophobicContact CG-CB 4.21Å; R162-Q176 CarbonylContact C-O 3.6Å; R162-Q176 WeakPolarHBondContact CA-O 3.45Å; R163-Q176 PolarHBondContact N-O 2.78Å; R163-Q176 PolarHBondContact O-N 2.9Å; F174-Q176 HydrophobicContact CD2-CB 4.01Å; F174-Q176 HydrophobicContact CE2-CB 3.82Å |
| 177 | T | 97.9 | Very high | 93.9 | Very high | 2 Ų | 2 | 48.1 Ų | 48.1 | 1% | 0.012 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 139 | 176 | -59 | 0 | 0 | 0 | 0 | 109.7 | C138 F148 H160 E161 | C138-T177 PolarHBondContact N-O 2.74Å; C138-T177 PolarHBondContact O-N 2.63Å; F148-T177 HydrophobicContact CE2-CG2 4.22Å; H160-T177 HydrophobicContact CB-CG2 3.65Å; E161-T177 CarbonylContact O-C 3.59Å; E161-T177 WeakPolarHBondContact O-CA 3.19Å |
| 178 | S | 97.5 | Very high | 93.9 | Very high | 14 Ų | 14 | 54.5 Ų | 54.5 | 10% | 0.098 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 148.8 | 174 | 62.7 | 0 | 0 | 0 | 0 | 112.1 | L136 E161 | L136-S178 CarbonylContact O-C 3.57Å; L136-S178 WeakPolarHBondContact O-CA 3.27Å; E161-S178 PolarHBondContact N-O 2.82Å; E161-S178 PolarHBondContact O-N 2.87Å |
| 179 | V | 97.2 | Very high | 94 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 138.7 | 177 | -67.6 | 0 | 0 | 0 | 0 | 110 | A135 L136 F148 V155 I181 | A135-V179 CarbonylContact C-O 3.53Å; A135-V179 WeakPolarHBondContact CA-O 3.37Å; L136-V179 HydrophobicContact CB-CG2 4.02Å; L136-V179 PolarHBondContact N-O 2.9Å; L136-V179 PolarHBondContact O-N 2.73Å; F148-V179 HydrophobicContact CB-CG1 4.12Å; F148-V179 HydrophobicContact CB-CG2 4.14Å; F148-V179 HydrophobicContact CD1-CG2 3.83Å; F148-V179 HydrophobicContact CD2-CB 4.29Å; F148-V179 HydrophobicContact CD2-CG1 3.48Å; F148-V179 VanDerWaalsContact CD2-CG1 3.48Å; F148-V179 HydrophobicContact CD2-CG2 3.81Å; F148-V179 HydrophobicContact CE1-CG2 4.11Å; F148-V179 HydrophobicContact CE2-CG1 4.07Å; F148-V179 HydrophobicContact CE2-CG2 4.1Å; F148-V179 HydrophobicContact CG-CB 4.47Å; F148-V179 HydrophobicContact CG-CG1 3.93Å; F148-V179 HydrophobicContact CG-CG2 3.65Å; F148-V179 HydrophobicContact CZ-CG2 4.23Å; V155-V179 HydrophobicContact CG1-CG1 4.1Å; V179-I181 HydrophobicContact CG2-CD1 4.09Å |
| 180 | L | 95.8 | Very high | 94.1 | Very high | 91 Ų | 91 | 51.3 Ų | 51.3 | 48% | 0.476 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 103.7 | -177.3 | -75.8 | 172.7 | 0 | 0 | 0 | 111.4 | A135 E159 | A135-L180 HydrophobicContact CB-CD2 3.84Å; E159-L180 VanDerWaalsContact OE1-O 3.11Å |
| 181 | I | 95.3 | Very high | 94.3 | Very high | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 117.2 | 179.2 | -51.4 | -53.7 | 0 | 0 | 0 | 110 | S133 V134 L136 V179 V186 Y197 | S133-I181 CarbonylContact C-O 3.48Å; S133-I181 WeakPolarHBondContact CA-O 3.35Å; V134-I181 HydrophobicContact CG1-CB 4.28Å; V134-I181 PolarHBondContact N-O 2.9Å; V134-I181 PolarHBondContact O-N 2.86Å; L136-I181 HydrophobicContact CD1-CG1 3.95Å; L136-I181 HydrophobicContact CG-CG1 4.18Å; V179-I181 HydrophobicContact CG2-CD1 4.09Å; I181-V186 HydrophobicContact CG2-CG2 3.65Å; I181-Y197 HydrophobicContact CD1-CE1 4.16Å; I181-Y197 HydrophobicContact CG1-CE1 4.38Å; I181-Y197 HydrophobicContact CG2-CD1 4.02Å; I181-Y197 HydrophobicContact CG2-CE1 3.6Å |
| 182 | S | 93.3 | Very high | 94.3 | Very high | 45 Ų | 45 | 59.8 Ų | 59.8 | 32% | 0.315 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 148.2 | 177.6 | 70.5 | 0 | 0 | 0 | 0 | 113.4 | Q184 A185 V186 | S182-Q184 VanDerWaalsContact C-N 3.26Å; S182-Q184 PolarHBondContact O-N 2.98Å; S182-A185 WeakPolarHBondContact O-CB 3.49Å; S182-A185 PolarHBondContact O-N 2.87Å; S182-A185 VanDerWaalsContact O-N 3.08Å; S182-A185 WeakPolarHBondContact OG-CB 3.36Å; S182-A185 PolarHBondContact OG-N 2.66Å; S182-V186 PolarHBondContact O-N 2.87Å |
| 183 | R | 91.6 | Very high | 94.3 | Very high | 59 Ų | 59 | 65.9 Ų | 65.9 | 22% | 0.223 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -55.9 | -41 | 173.4 | -170.3 | -177.9 | 80.4 | -169.1 | 3 | 112.1 | L124 M132 A185 V186 E187 V224 | L124-R183 HydrophobicContact CD1-CB 4.19Å; M132-R183 WeakPolarHBondContact O-CB 3.24Å; M132-R183 PolarHBondContact O-N 2.03Å; R183-A185 VanDerWaalsContact C-N 3.29Å; R183-A185 PolarHBondContact O-N 3.17Å; R183-V186 PolarHBondContact O-N 2.89Å; R183-E187 HydrophobicContact CG-CG 4.18Å; R183-E187 IonicContact NE-OE1 3.01Å; R183-E187 IonicContact NE-OE2 3.29Å; R183-E187 WeakPolarHBondContact O-CB 3.35Å; R183-E187 WeakPolarHBondContact O-CG 3.41Å; R183-E187 PolarHBondContact O-N 2.87Å; R183-V224 HydrophobicContact CG-CG2 4.37Å |
| 184 | Q | 91.8 | Very high | 94.1 | Very high | 125 Ų | 125 | 64.7 Ų | 64.7 | 58% | 0.584 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -63.2 | -35.4 | 178.4 | -63.1 | -177.4 | 15.8 | 0 | 0 | 112.3 | S182 R188 | S182-Q184 VanDerWaalsContact C-N 3.26Å; S182-Q184 PolarHBondContact O-N 2.98Å; Q184-R188 VanDerWaalsContact O-CB 3.25Å; Q184-R188 WeakPolarHBondContact O-CB 3.23Å; Q184-R188 WeakPolarHBondContact O-CG 3.48Å; Q184-R188 PolarHBondContact O-N 3.07Å; Q184-R188 PolarHBondContact O-NE 3.49Å; Q184-R188 VanDerWaalsContact O-NE 3.16Å |
| 185 | A | 93.2 | Very high | 93.9 | Very high | 24 Ų | 24 | 65.7 Ų | 65.7 | 20% | 0.198 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -66.7 | -46.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | S182 R183 Y189 Y197 | S182-A185 WeakPolarHBondContact O-CB 3.49Å; S182-A185 PolarHBondContact O-N 2.87Å; S182-A185 VanDerWaalsContact O-N 3.08Å; S182-A185 WeakPolarHBondContact OG-CB 3.36Å; S182-A185 PolarHBondContact OG-N 2.66Å; R183-A185 VanDerWaalsContact C-N 3.29Å; R183-A185 PolarHBondContact O-N 3.17Å; A185-Y189 VanDerWaalsContact O-CB 3.31Å; A185-Y189 WeakPolarHBondContact O-CB 3.15Å; A185-Y189 PolarHBondContact O-N 2.81Å; A185-Y197 HydrophobicContact CB-CE2 4.5Å |
| 186 | V | 94.7 | Very high | 93.8 | Very high | 5 Ų | 5 | 67.4 Ų | 67.4 | 3% | 0.03 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.3 | -47.1 | 179.1 | 178.1 | 0 | 0 | 0 | 0 | 111.5 | L124 I181 S182 R183 Y189 R190 Y197 V222 V224 | L124-V186 HydrophobicContact CD1-CB 4.34Å; L124-V186 HydrophobicContact CD1-CG2 3.83Å; I181-V186 HydrophobicContact CG2-CG2 3.65Å; S182-V186 PolarHBondContact O-N 2.87Å; R183-V186 PolarHBondContact O-N 2.89Å; V186-Y189 PolarHBondContact O-N 3.33Å; V186-R190 WeakPolarHBondContact O-CB 3.48Å; V186-R190 PolarHBondContact O-N 2.91Å; V186-Y197 HydrophobicContact CB-CG 4.49Å; V186-Y197 HydrophobicContact CG2-CD1 4.17Å; V186-Y197 HydrophobicContact CG2-CD2 4.2Å; V186-Y197 HydrophobicContact CG2-CG 3.88Å; V186-V222 HydrophobicContact CG2-CB 4.18Å; V186-V222 HydrophobicContact CG2-CG1 3.85Å; V186-V224 HydrophobicContact CB-CG2 4.46Å; V186-V224 HydrophobicContact CG1-CG2 3.89Å |
| 187 | E | 91.7 | Very high | 93.7 | Very high | 42 Ų | 42 | 66.7 Ų | 66.7 | 20% | 0.196 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63.7 | -47.2 | 179.5 | -72.1 | 177.2 | 155.8 | 0 | 0 | 111.5 | R126 R183 Y189 R190 L191 V224 | R126-E187 IonicContact CZ-OE1 2.73Å; R126-E187 VanDerWaalsContact CZ-OE1 3.29Å; R126-E187 IonicContact NE-OE1 3.89Å; R126-E187 PolarHBondContact NE-OE1 2.72Å; R126-E187 IonicContact NH2-OE1 3.29Å; R126-E187 PolarHBondContact NH2-OE1 2.9Å; R183-E187 HydrophobicContact CG-CG 4.18Å; R183-E187 IonicContact NE-OE1 3.01Å; R183-E187 IonicContact NE-OE2 3.29Å; R183-E187 WeakPolarHBondContact O-CB 3.35Å; R183-E187 WeakPolarHBondContact O-CG 3.41Å; R183-E187 PolarHBondContact O-N 2.87Å; E187-Y189 VanDerWaalsContact C-N 3.35Å; E187-Y189 PolarHBondContact O-N 2.9Å; E187-R190 PolarHBondContact O-N 2.8Å; E187-L191 WeakPolarHBondContact O-CB 3.46Å; E187-L191 WeakPolarHBondContact O-CG 3.39Å; E187-L191 PolarHBondContact O-N 3.02Å; E187-V224 HydrophobicContact CG-CG2 3.85Å |
| 188 | R | 92.6 | Very high | 93.6 | Very high | 151 Ų | 151 | 67.9 Ų | 67.9 | 57% | 0.57 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -59.7 | -45.4 | 176.7 | -76.3 | -175.2 | -65.4 | 168.9 | -2.5 | 111.8 | Q184 L191 I192 | Q184-R188 VanDerWaalsContact O-CB 3.25Å; Q184-R188 WeakPolarHBondContact O-CB 3.23Å; Q184-R188 WeakPolarHBondContact O-CG 3.48Å; Q184-R188 PolarHBondContact O-N 3.07Å; Q184-R188 PolarHBondContact O-NE 3.49Å; Q184-R188 VanDerWaalsContact O-NE 3.16Å; R188-L191 PolarHBondContact O-N 3.3Å; R188-I192 WeakPolarHBondContact O-CD1 3.32Å; R188-I192 VanDerWaalsContact O-CG1 3.26Å; R188-I192 WeakPolarHBondContact O-CG1 3.4Å; R188-I192 PolarHBondContact O-N 3.2Å; R188-I192 VanDerWaalsContact O-N 3.1Å |
| 189 | Y | 94 | Very high | 93.6 | Very high | 57 Ų | 57 | 67.2 Ų | 67.2 | 22% | 0.224 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -62.6 | -46.6 | 179.8 | -175.8 | -98.7 | 0 | 0 | 0 | 111.8 | N151 A185 V186 E187 L191 I192 R193 S195 Y197 | N151-Y189 HydrophobicContact CB-CD2 4.38Å; N151-Y189 HydrophobicContact CB-CE1 4.05Å; N151-Y189 HydrophobicContact CB-CE2 3.6Å; N151-Y189 VanDerWaalsContact CB-CZ 3.44Å; N151-Y189 WeakPolarHBondContact CB-OH 3.36Å; N151-Y189 WeakPolarHBondContact OD1-CE1 3.4Å; A185-Y189 VanDerWaalsContact O-CB 3.31Å; A185-Y189 WeakPolarHBondContact O-CB 3.15Å; A185-Y189 PolarHBondContact O-N 2.81Å; V186-Y189 PolarHBondContact O-N 3.33Å; E187-Y189 VanDerWaalsContact C-N 3.35Å; E187-Y189 PolarHBondContact O-N 2.9Å; Y189-L191 VanDerWaalsContact C-N 3.31Å; Y189-L191 PolarHBondContact O-N 3.1Å; Y189-I192 PolarHBondContact O-N 3.41Å; Y189-R193 HydrophobicContact CD2-CG 4.23Å; Y189-R193 HydrophobicContact CE1-CB 4.26Å; Y189-R193 HydrophobicContact CE2-CB 4.31Å; Y189-R193 HydrophobicContact CE2-CG 3.71Å; Y189-R193 PolarHBondContact O-N 2.77Å; Y189-S195 VanDerWaalsContact CE1-OG 3.24Å; Y189-S195 WeakPolarHBondContact CE1-OG 2.99Å; Y189-Y197 HydrophobicContact CD1-CD2 4.04Å; Y189-Y197 AromaticContact CG-CD2 3.94Å; Y189-Y197 HydrophobicContact CG-CD2 3.94Å; Y189-Y197 HydrophobicContact CG-CE2 4.5Å |
| 190 | R | 92.3 | Very high | 93.7 | Very high | 130 Ų | 130 | 69.2 Ų | 69.2 | 49% | 0.491 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -59.9 | -40.2 | 176.8 | -171.6 | -175.3 | -176.4 | 86.4 | 0.4 | 111.9 | V186 E187 G194 D196 | V186-R190 WeakPolarHBondContact O-CB 3.48Å; V186-R190 PolarHBondContact O-N 2.91Å; E187-R190 PolarHBondContact O-N 2.8Å; R190-G194 WeakPolarHBondContact O-CA 2.99Å; R190-G194 PolarHBondContact O-N 2.84Å; R190-D196 IonicContact CZ-OD1 3.7Å; R190-D196 IonicContact NH1-OD1 3.7Å; R190-D196 PolarHBondContact NH1-OD1 2.92Å |
| 191 | L | 92.4 | Very high | 93.8 | Very high | 150 Ų | 150 | 64.9 Ų | 64.9 | 79% | 0.785 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -65.4 | -37.2 | 178 | -72.8 | 167.1 | 0 | 0 | 0 | 112.7 | E187 R188 Y189 | E187-L191 WeakPolarHBondContact O-CB 3.46Å; E187-L191 WeakPolarHBondContact O-CG 3.39Å; E187-L191 PolarHBondContact O-N 3.02Å; R188-L191 PolarHBondContact O-N 3.3Å; Y189-L191 VanDerWaalsContact C-N 3.31Å; Y189-L191 PolarHBondContact O-N 3.1Å |
| 192 | I | 93.5 | Very high | 93.9 | Very high | 132 Ų | 132 | 65.7 Ų | 65.7 | 68% | 0.677 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -82.3 | -42.1 | -176.7 | -63 | 163.1 | 0 | 0 | 0 | 111.8 | R188 Y189 | R188-I192 WeakPolarHBondContact O-CD1 3.32Å; R188-I192 VanDerWaalsContact O-CG1 3.26Å; R188-I192 WeakPolarHBondContact O-CG1 3.4Å; R188-I192 PolarHBondContact O-N 3.2Å; R188-I192 VanDerWaalsContact O-N 3.1Å; Y189-I192 PolarHBondContact O-N 3.41Å |
| 193 | R | 91.9 | Very high | 94 | Very high | 182 Ų | 182 | 63.5 Ų | 63.5 | 69% | 0.687 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -106.3 | -15.7 | -171.1 | -63.8 | -63.8 | -172.7 | 137 | -0.2 | 114.3 | Y189 S195 | Y189-R193 HydrophobicContact CD2-CG 4.23Å; Y189-R193 HydrophobicContact CE1-CB 4.26Å; Y189-R193 HydrophobicContact CE2-CB 4.31Å; Y189-R193 HydrophobicContact CE2-CG 3.71Å; Y189-R193 PolarHBondContact O-N 2.77Å; R193-S195 PolarHBondContact O-N 2.88Å |
| 194 | G | 90.2 | Very high | 94.2 | Very high | 63 Ų | 63 | 61.9 Ų | 61.9 | 65% | 0.649 | 31% | 0.305 | S | S | * | . | S | Bend | trans | 69.9 | 4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115 | R190 | R190-G194 WeakPolarHBondContact O-CA 2.99Å; R190-G194 PolarHBondContact O-N 2.84Å |
| 195 | S | 91.8 | Very high | 94.1 | Very high | 49 Ų | 49 | 56.1 Ų | 56.1 | 34% | 0.343 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -106 | 165.2 | -179.7 | 70.3 | 0 | 0 | 0 | 0 | 112 | Y189 R193 | Y189-S195 VanDerWaalsContact CE1-OG 3.24Å; Y189-S195 WeakPolarHBondContact CE1-OG 2.99Å; R193-S195 PolarHBondContact O-N 2.88Å |
| 196 | D | 93 | Very high | 93.7 | Very high | 46 Ų | 46 | 57.8 Ų | 57.8 | 25% | 0.246 | 29% | 0.293 | C | S | . | . | trans | -69.5 | 153.6 | 170.8 | -66.4 | -31.2 | 0 | 0 | 0 | 110.9 | R190 R223 | R190-D196 IonicContact CZ-OD1 3.7Å; R190-D196 IonicContact NH1-OD1 3.7Å; R190-D196 PolarHBondContact NH1-OD1 2.92Å; D196-R223 IonicContact OD1-NE 2.68Å; D196-R223 IonicContact OD2-CZ 2.71Å; D196-R223 IonicContact OD2-NE 3.78Å; D196-R223 PolarHBondContact OD2-NE 2.9Å; D196-R223 IonicContact OD2-NH2 2.91Å; D196-R223 PolarHBondContact OD2-NH2 2.99Å | ||
| 197 | Y | 95.8 | Very high | 93 | Very high | 32 Ų | 32 | 62.2 Ų | 62.2 | 13% | 0.125 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 115.2 | 175 | -167.3 | -82.1 | 0 | 0 | 0 | 108.2 | C150 N151 I181 A185 V186 Y189 C199 T221 V222 | C150-Y197 HydrophobicContact CB-CE1 3.82Å; N151-Y197 WeakPolarHBondContact ND2-CD2 3.15Å; N151-Y197 WeakPolarHBondContact ND2-CE2 3.44Å; N151-Y197 WeakPolarHBondContact OD1-CA 3.07Å; I181-Y197 HydrophobicContact CD1-CE1 4.16Å; I181-Y197 HydrophobicContact CG1-CE1 4.38Å; I181-Y197 HydrophobicContact CG2-CD1 4.02Å; I181-Y197 HydrophobicContact CG2-CE1 3.6Å; A185-Y197 HydrophobicContact CB-CE2 4.5Å; V186-Y197 HydrophobicContact CB-CG 4.49Å; V186-Y197 HydrophobicContact CG2-CD1 4.17Å; V186-Y197 HydrophobicContact CG2-CD2 4.2Å; V186-Y197 HydrophobicContact CG2-CG 3.88Å; Y189-Y197 HydrophobicContact CD1-CD2 4.04Å; Y189-Y197 AromaticContact CG-CD2 3.94Å; Y189-Y197 HydrophobicContact CG-CD2 3.94Å; Y189-Y197 HydrophobicContact CG-CE2 4.5Å; Y197-C199 WeakPolarHBondContact CE1-SG 3.06Å; Y197-T221 CarbonylContact O-C 3.54Å; Y197-T221 WeakPolarHBondContact O-CA 3.42Å; Y197-V222 HydrophobicContact CD1-CB 4.34Å; Y197-V222 HydrophobicContact CD1-CG2 4.35Å; Y197-V222 PolarHBondContact O-N 2.7Å |
| 198 | A | 96.7 | Very high | 92 | Very high | 28 Ų | 28 | 64.2 Ų | 64.2 | 23% | 0.231 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 137.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111 | C150 N151 A220 T221 | C150-A198 CarbonylContact C-O 3.54Å; C150-A198 VanDerWaalsContact CA-O 3.27Å; C150-A198 WeakPolarHBondContact CA-O 3.45Å; N151-A198 PolarHBondContact N-O 2.94Å; N151-A198 PolarHBondContact OD1-N 3.17Å; N151-A198 PolarHBondContact OD1-O 2.93Å; A198-A220 CarbonylContact C-O 3.59Å; A198-A220 WeakPolarHBondContact CA-O 3.49Å; A198-T221 HydrophobicContact CB-CG2 4.31Å |
| 199 | C | 97.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 141.5 | 178 | -64 | 0 | 0 | 0 | 0 | 111.4 | L136 K149 C150 Y197 P219 A220 | L136-C199 HydrophobicContact CD1-CB 3.61Å; K149-C199 CarbonylContact O-C 3.54Å; K149-C199 WeakPolarHBondContact O-CA 3.43Å; C150-C199 HydrophobicContact CB-CB 4.16Å; C150-C199 WeakPolarHBondContact CB-SG 3.39Å; C150-C199 WeakPolarHBondContact SG-CB 3.17Å; C150-C199 CovalentContact SG-SG 2.04Å; C150-C199 PolarHBondContact SG-SG 3.32Å; Y197-C199 WeakPolarHBondContact CE1-SG 3.06Å; C199-P219 WeakPolarHBondContact O-CA 3.28Å; C199-A220 PolarHBondContact N-O 2.84Å; C199-A220 PolarHBondContact O-N 3.5Å |
| 200 | E | 97.6 | Very high | 89.5 | Confident | 42 Ų | 42 | 68.3 Ų | 68.3 | 20% | 0.196 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 133.1 | 179.8 | -62.4 | 177.4 | 145.5 | 0 | 0 | 108.4 | F148 K149 Y202 K216 P219 | F148-E200 WeakPolarHBondContact CA-O 3.46Å; K149-E200 PolarHBondContact N-O 2.68Å; K149-E200 PolarHBondContact O-N 3.43Å; E200-Y202 HydrophobicContact CB-CD2 4.29Å; E200-Y202 HydrophobicContact CB-CE2 3.67Å; E200-Y202 PolarHBondContact OE2-OH 2.85Å; E200-K216 WeakPolarHBondContact OE1-CE 3.09Å; E200-K216 IonicContact OE1-NZ 2.72Å; E200-K216 PolarHBondContact OE1-NZ 2.81Å; E200-K216 WeakPolarHBondContact OE2-CE 3.23Å; E200-K216 IonicContact OE2-NZ 2.66Å; E200-K216 PolarHBondContact OE2-NZ 3.39Å; E200-P219 HydrophobicContact CG-CB 3.88Å |
| 201 | C | 97.9 | Very high | 88.2 | Confident | 0 Ų | 0 | 69.8 Ų | 69.8 | 0% | 0 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 134 | 173.4 | 173.6 | 0 | 0 | 0 | 0 | 109.8 | P119 C138 I146 F148 K216 S217 | P119-C201 HydrophobicContact CG-CB 4.01Å; C138-C201 HydrophobicContact CB-CB 3.72Å; C138-C201 WeakPolarHBondContact CB-SG 3.29Å; C138-C201 WeakPolarHBondContact SG-CB 3.37Å; C138-C201 CovalentContact SG-SG 2.03Å; C138-C201 PolarHBondContact SG-SG 2.91Å; I146-C201 WeakPolarHBondContact CG2-SG 3.22Å; F148-C201 HydrophobicContact CD1-CB 4.4Å; F148-C201 HydrophobicContact CE1-CB 4.04Å; F148-C201 HydrophobicContact CZ-CB 4.4Å; C201-K216 WeakPolarHBondContact O-CA 3.32Å; C201-S217 WeakPolarHBondContact CB-OG 3.24Å; C201-S217 PolarHBondContact N-OG 3.31Å; C201-S217 PolarHBondContact O-N 3Å |
| 202 | Y | 97.4 | Very high | 87.3 | Confident | 17 Ų | 17 | 64.9 Ų | 64.9 | 7% | 0.067 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 117.8 | 174.8 | -71.9 | -99.4 | 0 | 0 | 0 | 109.4 | I146 R147 K149 W154 E200 V215 K216 | I146-Y202 CarbonylContact C-O 3.49Å; I146-Y202 VanDerWaalsContact CA-O 3.32Å; I146-Y202 WeakPolarHBondContact CA-O 3.31Å; R147-Y202 PolarHBondContact N-O 2.91Å; R147-Y202 PolarHBondContact O-N 2.9Å; K149-Y202 HydrophobicContact CB-CD2 4.01Å; K149-Y202 HydrophobicContact CB-CE2 3.65Å; K149-Y202 HydrophobicContact CD-CE2 3.98Å; K149-Y202 HydrophobicContact CG-CE2 4.48Å; W154-Y202 AromaticContact CH2-CD1 3.98Å; W154-Y202 HydrophobicContact CH2-CD1 3.98Å; W154-Y202 AromaticContact CH2-CD2 3.6Å; W154-Y202 HydrophobicContact CH2-CD2 3.6Å; W154-Y202 HydrophobicContact CH2-CE1 4.39Å; W154-Y202 HydrophobicContact CH2-CE2 4.06Å; W154-Y202 AromaticContact CH2-CG 3.55Å; W154-Y202 HydrophobicContact CH2-CG 3.55Å; W154-Y202 AromaticContact CZ3-CD2 3.71Å; W154-Y202 HydrophobicContact CZ3-CD2 3.71Å; W154-Y202 HydrophobicContact CZ3-CE2 4.39Å; W154-Y202 AromaticContact CZ3-CG 3.93Å; W154-Y202 HydrophobicContact CZ3-CG 3.93Å; E200-Y202 HydrophobicContact CB-CD2 4.29Å; E200-Y202 HydrophobicContact CB-CE2 3.67Å; E200-Y202 PolarHBondContact OE2-OH 2.85Å; Y202-V215 WeakPolarHBondContact CA-O 3.27Å; Y202-K216 HydrophobicContact CD1-CB 4.17Å; Y202-K216 HydrophobicContact CD1-CG 4.3Å; Y202-K216 HydrophobicContact CE1-CB 3.94Å; Y202-K216 HydrophobicContact CE1-CD 3.93Å; Y202-K216 HydrophobicContact CE1-CG 3.78Å; Y202-K216 HydrophobicContact CE2-CG 4.28Å; Y202-K216 WeakPolarHBondContact OH-CD 3.4Å; Y202-K216 WeakPolarHBondContact OH-CE 3.5Å |
| 203 | A | 96.6 | Very high | 87.1 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 125.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | P113 L115 A140 A143 I146 Q214 V215 | P113-A203 HydrophobicContact CB-CB 3.93Å; L115-A203 HydrophobicContact CD2-CB 4.36Å; A140-A203 HydrophobicContact CB-CB 3.74Å; A143-A203 HydrophobicContact CB-CB 4.15Å; I146-A203 HydrophobicContact CG1-CB 4.19Å; A203-Q214 CarbonylContact O-C 3.54Å; A203-Q214 VanDerWaalsContact O-CA 3.27Å; A203-Q214 WeakPolarHBondContact O-CA 3.44Å; A203-V215 PolarHBondContact N-O 2.97Å; A203-V215 PolarHBondContact O-N 3.44Å |
| 204 | F | 94.3 | Very high | 87.1 | Confident | 24 Ų | 24 | 56.8 Ų | 56.8 | 11% | 0.105 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 131.6 | -179.3 | -63.7 | -93.3 | 0 | 0 | 0 | 109.6 | A143 D144 H145 R147 W154 Q214 | A143-F204 CarbonylContact C-O 3.52Å; A143-F204 WeakPolarHBondContact CA-O 3.5Å; D144-F204 PolarHBondContact N-O 2.78Å; H145-F204 AromaticContact CD2-CD2 3.66Å; H145-F204 AromaticContact CE1-CG 3.9Å; H145-F204 PolarHBondContact N-O 2.71Å; H145-F204 AromaticContact NE2-CD2 3.44Å; H145-F204 WeakPolarHBondContact NE2-CD2 3.5Å; H145-F204 AromaticContact NE2-CG 3.5Å; H145-F204 WeakPolarHBondContact NE2-CG 3.47Å; H145-F204 PolarHBondContact O-N 2.87Å; R147-F204 HydrophobicContact CB-CE2 4.2Å; W154-F204 HydrophobicContact CH2-CE2 4.43Å; W154-F204 HydrophobicContact CH2-CZ 4.02Å; F204-Q214 HydrophobicContact CD1-CB 3.76Å; F204-Q214 HydrophobicContact CE1-CB 3.87Å; F204-Q214 HydrophobicContact CG-CB 4.43Å |
| 205 | G | 91.3 | Very high | 87.4 | Confident | 4 Ų | 4 | 55 Ų | 55 | 4% | 0.041 | 31% | 0.311 | C | S | . | . | trans | -84.5 | -176.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | S207 V213 | G205-S207 PolarHBondContact O-N 3.45Å; G205-V213 PolarHBondContact N-O 3.07Å | ||
| 206 | A | 85.1 | Confident | 87.6 | Confident | 59 Ų | 59 | 57.3 Ų | 57.3 | 49% | 0.488 | 32% | 0.315 | S | S | . | . | trans | -61 | 130.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | T208 | A206-T208 PolarHBondContact O-N 3.38Š| ||
| 207 | S | 79.7 | Confident | 87.7 | Confident | 99 Ų | 99 | 55.5 Ų | 55.5 | 69% | 0.692 | 31% | 0.307 | S | S | * | . | trans | -87.7 | 93.1 | 176.8 | 58.3 | 0 | 0 | 0 | 0 | 109.9 | G205 | G205-S207 PolarHBondContact O-N 3.45Š| ||
| 208 | T | 71.1 | Confident | 87.8 | Confident | 84 Ų | 84 | 61.6 Ų | 61.6 | 52% | 0.515 | 34% | 0.336 | S | S | . | . | trans | -105.1 | -29.4 | 174 | 53.2 | 0 | 0 | 0 | 0 | 112.4 | T110 A206 | T110-T208 HydrophobicContact CG2-CG2 4.18Å; T110-T208 WeakPolarHBondContact CG2-OG1 3.33Å; A206-T208 PolarHBondContact O-N 3.38Å | ||
| 209 | D | 66.8 | Low | 87.8 | Confident | 81 Ų | 81 | 63.7 Ų | 63.7 | 43% | 0.433 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -130.6 | 147.1 | -174.6 | -54.8 | -67.3 | 0 | 0 | 0 | 108.2 | M211 | D209-M211 CarbonylContact O-C 3.32Å; D209-M211 VanDerWaalsContact O-C 3.32Å; D209-M211 PolarHBondContact O-N 3.4Å |
| 210 | E | 65.5 | Low | 87.7 | Confident | 213 Ų | 213 | 63.7 Ų | 63.7 | 100% | 0.995 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -49.1 | -6.5 | -164.6 | -71.3 | 178.2 | 124.2 | 0 | 0 | 117.2 | ||
| 211 | M | 66.1 | Low | 87.7 | Confident | 161 Ų | 161 | 63.1 Ų | 63.1 | 79% | 0.793 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -111.9 | 103.1 | 169.1 | -159.6 | 69.8 | 70.3 | 0 | 0 | 110.7 | D209 V213 | D209-M211 CarbonylContact O-C 3.32Å; D209-M211 VanDerWaalsContact O-C 3.32Å; D209-M211 PolarHBondContact O-N 3.4Å; M211-V213 PolarHBondContact O-N 3.08Å; M211-V213 VanDerWaalsContact O-N 3.08Å |
| 212 | A | 73.8 | Confident | 87.6 | Confident | 46 Ų | 46 | 63.1 Ų | 63.1 | 38% | 0.38 | 35% | 0.347 | S | S | . | . | trans | -59.1 | 116.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | Q214 | A212-Q214 PolarHBondContact O-N 3.05Š| ||
| 213 | V | 88 | Confident | 87.4 | Confident | 47 Ų | 47 | 67.4 Ų | 67.4 | 29% | 0.285 | 36% | 0.363 | S | S | . | . | trans | -68.7 | 108.8 | 178.1 | -176.9 | 0 | 0 | 0 | 0 | 108.2 | K112 G205 M211 | K112-V213 HydrophobicContact CB-CG1 3.93Å; K112-V213 HydrophobicContact CD-CG1 3.81Å; K112-V213 HydrophobicContact CG-CG1 3.58Å; G205-V213 PolarHBondContact N-O 3.07Å; M211-V213 PolarHBondContact O-N 3.08Å; M211-V213 VanDerWaalsContact O-N 3.08Å | ||
| 214 | Q | 92.8 | Very high | 87.1 | Confident | 98 Ų | 98 | 69.4 Ų | 69.4 | 46% | 0.458 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 147.7 | 177.7 | 63.8 | 172.6 | 54.1 | 0 | 0 | 111.5 | A203 F204 A212 | A203-Q214 CarbonylContact O-C 3.54Å; A203-Q214 VanDerWaalsContact O-CA 3.27Å; A203-Q214 WeakPolarHBondContact O-CA 3.44Å; F204-Q214 HydrophobicContact CD1-CB 3.76Å; F204-Q214 HydrophobicContact CE1-CB 3.87Å; F204-Q214 HydrophobicContact CG-CB 4.43Å; A212-Q214 PolarHBondContact O-N 3.05Å |
| 215 | V | 95.6 | Very high | 86.7 | Confident | 24 Ų | 24 | 69.6 Ų | 69.6 | 15% | 0.145 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 133.9 | 173.2 | -171.1 | 0 | 0 | 0 | 0 | 109.7 | K112 P113 L115 Y202 A203 | K112-V215 HydrophobicContact CD-CG2 4.41Å; K112-V215 HydrophobicContact CG-CG2 3.98Å; K112-V215 VanDerWaalsContact NZ-CG2 3.35Å; P113-V215 HydrophobicContact CB-CG2 4.15Å; P113-V215 WeakPolarHBondContact O-CG2 3.06Å; L115-V215 HydrophobicContact CD1-CB 4.23Å; L115-V215 HydrophobicContact CD1-CG1 3.53Å; L115-V215 HydrophobicContact CG-CG1 4.4Å; Y202-V215 WeakPolarHBondContact CA-O 3.27Å; A203-V215 PolarHBondContact N-O 2.97Å; A203-V215 PolarHBondContact O-N 3.44Å |
| 216 | K | 96.3 | Very high | 86.1 | Confident | 98 Ų | 98 | 70.8 Ų | 70.8 | 43% | 0.426 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 135.3 | -177.4 | -177.4 | -174.1 | 172.1 | 168.4 | 0 | 110.1 | E200 C201 Y202 | E200-K216 WeakPolarHBondContact OE1-CE 3.09Å; E200-K216 IonicContact OE1-NZ 2.72Å; E200-K216 PolarHBondContact OE1-NZ 2.81Å; E200-K216 WeakPolarHBondContact OE2-CE 3.23Å; E200-K216 IonicContact OE2-NZ 2.66Å; E200-K216 PolarHBondContact OE2-NZ 3.39Å; C201-K216 WeakPolarHBondContact O-CA 3.32Å; Y202-K216 HydrophobicContact CD1-CB 4.17Å; Y202-K216 HydrophobicContact CD1-CG 4.3Å; Y202-K216 HydrophobicContact CE1-CB 3.94Å; Y202-K216 HydrophobicContact CE1-CD 3.93Å; Y202-K216 HydrophobicContact CE1-CG 3.78Å; Y202-K216 HydrophobicContact CE2-CG 4.28Å; Y202-K216 WeakPolarHBondContact OH-CD 3.4Å; Y202-K216 WeakPolarHBondContact OH-CE 3.5Å |
| 217 | S | 96.7 | Very high | 85.5 | Confident | 9 Ų | 9 | 75 Ų | 75 | 6% | 0.063 | 40% | 0.396 | C | S | . | . | P | Polyproline II helix | trans | -79.7 | 171.1 | 172.7 | 76.6 | 0 | 0 | 0 | 0 | 112.6 | C201 | C201-S217 WeakPolarHBondContact CB-OG 3.24Å; C201-S217 PolarHBondContact N-OG 3.31Å; C201-S217 PolarHBondContact O-N 3Å |
| 218 | Q | 96.1 | Very high | 85.1 | Confident | 159 Ų | 159 | 78 Ų | 78 | 74% | 0.743 | 40% | 0.397 | S | S | * | . | P | Polyproline II helix | trans | -62.9 | 148 | 160.6 | -67.6 | -176 | -15.6 | 0 | 0 | 110.3 | ||
| 219 | P | 96.4 | Very high | 84.9 | Confident | 72 Ų | 72 | 76 Ų | 76 | 47% | 0.468 | 39% | 0.387 | S | S | . | . | P | Polyproline II helix | trans | -70.8 | 131.6 | 176.8 | 28.7 | -33.4 | 0 | 0 | 0 | 110.5 | C199 E200 | C199-P219 WeakPolarHBondContact O-CA 3.28Å; E200-P219 HydrophobicContact CG-CB 3.88Å |
| 220 | A | 97.5 | Very high | 84.9 | Confident | 1 Ų | 1 | 82 Ų | 82 | 1% | 0.008 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 126.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | P119 A198 C199 | P119-A220 HydrophobicContact CB-CB 3.86Å; P119-A220 HydrophobicContact CG-CB 4.05Å; P119-A220 WeakPolarHBondContact O-CB 3.45Å; A198-A220 CarbonylContact C-O 3.59Å; A198-A220 WeakPolarHBondContact CA-O 3.49Å; C199-A220 PolarHBondContact N-O 2.84Å; C199-A220 PolarHBondContact O-N 3.5Å |
| 221 | T | 96.6 | Very high | 84.9 | Confident | 29 Ų | 29 | 80.2 Ų | 80.2 | 18% | 0.178 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 136.8 | 178.5 | 62.7 | 0 | 0 | 0 | 0 | 111.2 | D121 A122 Y197 A198 | D121-T221 WeakPolarHBondContact CA-O 3.38Å; D121-T221 PolarHBondContact OD1-N 2.93Å; D121-T221 PolarHBondContact OD1-OG1 2.64Å; A122-T221 PolarHBondContact N-O 3.07Å; Y197-T221 CarbonylContact O-C 3.54Å; Y197-T221 WeakPolarHBondContact O-CA 3.42Å; A198-T221 HydrophobicContact CB-CG2 4.31Å |
| 222 | V | 96.4 | Very high | 84.8 | Confident | 1 Ų | 1 | 76.2 Ų | 76.2 | 1% | 0.006 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 116.6 | 174.6 | -170.5 | 0 | 0 | 0 | 0 | 108.6 | A122 L124 V134 L136 V186 Y197 | A122-V222 HydrophobicContact CB-CG1 4.44Å; A122-V222 HydrophobicContact CB-CG2 4.35Å; A122-V222 WeakPolarHBondContact O-CA 3.29Å; L124-V222 HydrophobicContact CD1-CG1 3.65Å; L124-V222 HydrophobicContact CG-CG1 4.03Å; V134-V222 HydrophobicContact CG1-CG1 3.8Å; L136-V222 HydrophobicContact CD1-CG2 3.98Å; L136-V222 HydrophobicContact CD2-CG2 4.28Å; L136-V222 HydrophobicContact CG-CG2 4.47Å; V186-V222 HydrophobicContact CG2-CB 4.18Å; V186-V222 HydrophobicContact CG2-CG1 3.85Å; Y197-V222 HydrophobicContact CD1-CB 4.34Å; Y197-V222 HydrophobicContact CD1-CG2 4.35Å; Y197-V222 PolarHBondContact O-N 2.7Å |
| 223 | R | 92.9 | Very high | 84.1 | Confident | 106 Ų | 106 | 76.3 Ų | 76.3 | 40% | 0.4 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 144 | -176.5 | -69.8 | 179 | 169.5 | 168.4 | 2.4 | 111.3 | A122 Y123 L124 D196 | A122-R223 PolarHBondContact O-N 2.72Å; Y123-R223 CarbonylContact C-O 3.53Å; Y123-R223 VanDerWaalsContact CA-O 3.3Å; Y123-R223 WeakPolarHBondContact CA-O 3.18Å; Y123-R223 HydrophobicContact CD1-CB 4.06Å; Y123-R223 HydrophobicContact CE1-CB 4.18Å; L124-R223 PolarHBondContact N-O 3.11Å; D196-R223 IonicContact OD1-NE 2.68Å; D196-R223 IonicContact OD2-CZ 2.71Å; D196-R223 IonicContact OD2-NE 3.78Å; D196-R223 PolarHBondContact OD2-NE 2.9Å; D196-R223 IonicContact OD2-NH2 2.91Å; D196-R223 PolarHBondContact OD2-NH2 2.99Å |
| 224 | V | 89.7 | Confident | 82.6 | Confident | 42 Ų | 42 | 78.4 Ų | 78.4 | 26% | 0.255 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 122.6 | 171.9 | -175.5 | 0 | 0 | 0 | 0 | 108.4 | L124 R126 R183 V186 E187 | L124-V224 WeakPolarHBondContact O-CA 3.47Å; R126-V224 HydrophobicContact CG-CG1 3.65Å; R126-V224 VanDerWaalsContact NE-CG1 3.29Å; R183-V224 HydrophobicContact CG-CG2 4.37Å; V186-V224 HydrophobicContact CB-CG2 4.46Å; V186-V224 HydrophobicContact CG1-CG2 3.89Å; E187-V224 HydrophobicContact CG-CG2 3.85Å |
| 225 | A | 85.9 | Confident | 80.8 | Confident | 29 Ų | 29 | 80.7 Ų | 80.7 | 24% | 0.24 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 159 | 176.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | Y123 L124 V125 R126 | Y123-A225 HydrophobicContact CD1-CB 4.34Å; L124-A225 PolarHBondContact O-N 3.37Å; V125-A225 CarbonylContact C-O 3.54Å; V125-A225 WeakPolarHBondContact CA-O 2.84Å; V125-A225 HydrophobicContact CG2-CB 4.46Å; R126-A225 PolarHBondContact N-O 3.14Å |
| 226 | C | 78.7 | Confident | 78.6 | Confident | 29 Ų | 29 | 87.1 Ų | 87.1 | 20% | 0.196 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 147.5 | 167.5 | -50 | 0 | 0 | 0 | 0 | 109.1 | F228 C233 | C226-F228 PolarHBondContact O-N 2.92Å; C226-C233 HydrophobicContact CB-CB 3.71Å; C226-C233 WeakPolarHBondContact CB-SG 3.18Å; C226-C233 WeakPolarHBondContact SG-CB 3.41Å; C226-C233 CovalentContact SG-SG 2.04Å; C226-C233 PolarHBondContact SG-SG 3.34Å |
| 227 | K | 74.1 | Confident | 77.7 | Confident | 148 Ų | 148 | 86.6 Ų | 86.6 | 64% | 0.643 | 44% | 0.439 | S | S | * | . | trans | -72.8 | 117.1 | 159.4 | -173.2 | 173.7 | 179.9 | 173.9 | 0 | 108.2 | V125 S229 | V125-K227 HydrophobicContact CG1-CB 4.26Å; K227-S229 PolarHBondContact O-N 3.49Å | ||
| 228 | F | 69.9 | Low | 76.7 | Confident | 162 Ų | 162 | 90.6 Ų | 90.6 | 71% | 0.711 | 46% | 0.459 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 117.9 | 169 | -85.3 | -87.1 | 0 | 0 | 0 | 108.7 | C226 | C226-F228 PolarHBondContact O-N 2.92Å |
| 229 | S | 67.8 | Low | 75.6 | Confident | 42 Ų | 42 | 86.8 Ų | 86.8 | 29% | 0.294 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 124.4 | 166.5 | -73.7 | 0 | 0 | 0 | 0 | 107.8 | K227 L231 T232 | K227-S229 PolarHBondContact O-N 3.49Å; S229-L231 PolarHBondContact O-N 3.13Å; S229-T232 PolarHBondContact O-N 2.98Å; S229-T232 PolarHBondContact O-OG1 3.31Å |
| 230 | F | 66.4 | Low | 74.4 | Confident | 207 Ų | 207 | 87.7 Ų | 87.7 | 91% | 0.908 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 40.9 | 62.9 | -176.3 | -66.5 | -82.3 | 0 | 0 | 0 | 113.5 | T232 | F230-T232 PolarHBondContact O-N 2.76Š|
| 231 | L | 66 | Low | 72.9 | Confident | 174 Ų | 174 | 93.1 Ų | 93.1 | 91% | 0.911 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.8 | 6.1 | 172.3 | -68.6 | 163.7 | 0 | 0 | 0 | 117.3 | S229 | S229-L231 PolarHBondContact O-N 3.13Š|
| 232 | T | 62.7 | Low | 71.4 | Confident | 78 Ų | 78 | 97.4 Ų | 97.4 | 48% | 0.479 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 132.6 | 176.7 | 54.8 | 0 | 0 | 0 | 0 | 110.8 | S229 F230 L234 | S229-T232 PolarHBondContact O-N 2.98Å; S229-T232 PolarHBondContact O-OG1 3.31Å; F230-T232 PolarHBondContact O-N 2.76Å; T232-L234 VanDerWaalsContact C-N 3.3Å; T232-L234 PolarHBondContact O-N 2.9Å |
| 233 | C | 60 | Low | 69.6 | Low | 47 Ų | 47 | 104.3 Ų | 104.3 | 32% | 0.318 | 52% | 0.523 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 98.3 | 155.6 | -100.8 | 0 | 0 | 0 | 0 | 105 | C226 F235 | C226-C233 HydrophobicContact CB-CB 3.71Å; C226-C233 WeakPolarHBondContact CB-SG 3.18Å; C226-C233 WeakPolarHBondContact SG-CB 3.41Å; C226-C233 CovalentContact SG-SG 2.04Å; C226-C233 PolarHBondContact SG-SG 3.34Å; C233-F235 HydrophobicContact CB-CE2 4.37Å; C233-F235 WeakPolarHBondContact O-CD2 2.9Å; C233-F235 PolarHBondContact O-N 2.84Å |
| 234 | L | 56.4 | Low | 67.8 | Low | 92 Ų | 92 | 104.2 Ų | 104.2 | 48% | 0.482 | 53% | 0.532 | S | S | . | . | trans | -62.4 | 105 | 173.4 | -92.1 | 154.6 | 0 | 0 | 0 | 108.5 | T232 D236 | T232-L234 VanDerWaalsContact C-N 3.3Å; T232-L234 PolarHBondContact O-N 2.9Å; L234-D236 VanDerWaalsContact C-N 3.33Å; L234-D236 PolarHBondContact O-N 3.01Å | ||
| 235 | F | 55.1 | Low | 65.9 | Low | 146 Ų | 146 | 109.3 Ų | 109.3 | 64% | 0.64 | 56% | 0.555 | S | S | * | * | trans | -77.6 | 92.1 | 151.8 | -63.1 | -92.3 | 0 | 0 | 0 | 104.5 | R126 C233 | R126-F235 VanDerWaalsContact NH1-CE1 3.33Å; C233-F235 HydrophobicContact CB-CE2 4.37Å; C233-F235 WeakPolarHBondContact O-CD2 2.9Å; C233-F235 PolarHBondContact O-N 2.84Å | ||
| 236 | D | 48.6 | Very low | 64.1 | Low | 158 Ų | 158 | 116.6 Ų | 116.6 | 85% | 0.845 | 58% | 0.584 | S | S | * | * | trans | -73.7 | 0 | 161.8 | -156.6 | -77.1 | 0 | 0 | 0 | 107.5 | R128 L234 | R128-D236 HydrophobicContact CG-CB 4.3Å; L234-D236 VanDerWaalsContact C-N 3.33Å; L234-D236 PolarHBondContact O-N 3.01Å |
Retrieved 236 of 236 residues in 213.1 ms
(Link to these results)