| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 39.3 | Very low | 34.3 | Very low | 253 Ų | 253 | 147.3 Ų | 147.3 | 100% | 1.246 | 86% | 0.864 | S | S | * | * | 0 | 79.3 | 0 | -72.4 | -165.1 | -163.8 | 0 | 0 | 110 | |||||
| 2 | A | 33.1 | Very low | 34.4 | Very low | 97 Ų | 97 | 145.1 Ų | 145.1 | 80% | 0.802 | 85% | 0.854 | S | S | * | * | trans | -153.1 | 38.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 3 | L | 31.1 | Very low | 33.9 | Very low | 170 Ų | 170 | 145.6 Ų | 145.6 | 89% | 0.89 | 85% | 0.85 | S | S | * | * | S | Bend | trans | -130.6 | 5.3 | -178.4 | -90.7 | 166.2 | 0 | 0 | 0 | 113.9 | ||
| 4 | A | 30.8 | Very low | 33.7 | Very low | 96 Ų | 96 | 149.4 Ų | 149.4 | 79% | 0.793 | 85% | 0.852 | S | S | * | * | S | Bend | trans | -96.2 | -12.8 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 5 | S | 33.2 | Very low | 33.3 | Very low | 109 Ų | 109 | 145.5 Ų | 145.5 | 76% | 0.762 | 84% | 0.838 | S | S | * | * | S | Bend | trans | -95.6 | -1.9 | -169.5 | 65.9 | 0 | 0 | 0 | 0 | 116 | ||
| 6 | V | 38.8 | Very low | 33.4 | Very low | 130 Ų | 130 | 145.9 Ų | 145.9 | 79% | 0.788 | 84% | 0.836 | S | S | * | * | S | Bend | trans | -93.2 | -1.4 | -174.1 | -175.3 | 0 | 0 | 0 | 0 | 112.8 | ||
| 7 | L | 35.7 | Very low | 33.3 | Very low | 162 Ų | 162 | 152.2 Ų | 152.2 | 85% | 0.848 | 85% | 0.845 | S | S | * | * | S | Bend | trans | -115 | 15.1 | -172.5 | -70.7 | 176.9 | 0 | 0 | 0 | 115.9 | ||
| 8 | Q | 30.7 | Very low | 33 | Very low | 182 Ų | 182 | 147.5 Ų | 147.5 | 85% | 0.85 | 84% | 0.837 | S | S | * | * | trans | -103.7 | 113.5 | 168.5 | -77.9 | 179.2 | -25.1 | 0 | 0 | 110.7 | E10 | Q8-E10 PolarHBondContact O-N 2.64Š| ||
| 9 | S | 38 | Very low | 32.8 | Very low | 118 Ų | 118 | 152.6 Ų | 152.6 | 83% | 0.825 | 84% | 0.841 | S | S | * | * | trans | -72.4 | 106 | 172.9 | 53 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 10 | E | 34.1 | Very low | 32.5 | Very low | 179 Ų | 179 | 154.8 Ų | 154.8 | 84% | 0.836 | 85% | 0.845 | S | S | * | * | trans | -132.7 | 133.8 | 159.2 | -72.9 | -171.3 | 160.7 | 0 | 0 | 109.7 | Q8 | Q8-E10 PolarHBondContact O-N 2.64Š| ||
| 11 | S | 32.8 | Very low | 32.3 | Very low | 124 Ų | 124 | 158.5 Ų | 158.5 | 87% | 0.867 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 125.2 | -178.1 | 45 | 0 | 0 | 0 | 0 | 112.2 | ||
| 12 | V | 35.7 | Very low | 31.7 | Very low | 121 Ų | 121 | 156 Ų | 156 | 73% | 0.733 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -91.3 | 117.9 | 175.7 | -179.2 | 0 | 0 | 0 | 0 | 110 | ||
| 13 | D | 27.6 | Very low | 31.3 | Very low | 152 Ų | 152 | 154.9 Ų | 154.9 | 81% | 0.813 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 128.1 | 178.1 | -123.7 | -17.9 | 0 | 0 | 0 | 111.3 | S15 | D13-S15 PolarHBondContact O-N 3.28Š|
| 14 | F | 31.4 | Very low | 31 | Very low | 199 Ų | 199 | 157.1 Ų | 157.1 | 87% | 0.873 | 83% | 0.833 | S | S | * | * | trans | -100.4 | 57.1 | -169.9 | -91.4 | -86.1 | 0 | 0 | 0 | 113.5 | ||||
| 15 | S | 27.6 | Very low | 30.7 | Very low | 91 Ų | 91 | 157.5 Ų | 157.5 | 64% | 0.636 | 84% | 0.836 | S | S | * | * | trans | -115.4 | -1.1 | -175.1 | 58.9 | 0 | 0 | 0 | 0 | 117.3 | D13 | D13-S15 PolarHBondContact O-N 3.28Š| ||
| 16 | N | 34.4 | Very low | 30.5 | Very low | 151 Ų | 151 | 158.3 Ų | 158.3 | 81% | 0.807 | 84% | 0.841 | S | S | * | * | trans | -145.6 | 75 | -175.4 | -86.5 | -43.2 | 0 | 0 | 0 | 115.5 | ||||
| 17 | Y | 31.8 | Very low | 29.8 | Very low | 254 Ų | 254 | 156 Ų | 156 | 100% | 0.996 | 84% | 0.844 | S | S | * | * | trans | -117.1 | 86.7 | 157.3 | -103.9 | -90.1 | 0 | 0 | 0 | 110.2 | ||||
| 18 | G | 27.1 | Very low | 29.2 | Very low | 67 Ų | 67 | 154.5 Ų | 154.5 | 69% | 0.691 | 84% | 0.836 | S | S | * | * | trans | -143.5 | 119 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 19 | R | 29.1 | Very low | 29 | Very low | 244 Ų | 244 | 155.5 Ų | 155.5 | 92% | 0.921 | 83% | 0.834 | S | S | * | * | trans | 72.8 | 114.3 | 169.7 | -61.3 | 179 | 176.1 | -176.2 | -1.5 | 117.1 | ||||
| 20 | Q | 27.3 | Very low | 28.3 | Very low | 197 Ų | 197 | 158.9 Ų | 158.9 | 92% | 0.921 | 84% | 0.836 | S | S | * | * | -168.6 | 132.9 | 102 | -100.3 | 172.5 | -8.1 | 0 | 0 | 111.4 | |||||
| 21 | R | 27.8 | Very low | 28.1 | Very low | 233 Ų | 233 | 155 Ų | 155 | 88% | 0.879 | 84% | 0.835 | S | S | * | * | trans | -91.5 | 157.1 | 166.4 | -74.3 | 179.2 | 167.9 | -179.2 | -4.2 | 108.9 | ||||
| 22 | H | 27.3 | Very low | 27.7 | Very low | 199 Ų | 199 | 158.3 Ų | 158.3 | 92% | 0.921 | 84% | 0.837 | S | S | * | * | trans | 159.2 | 142.4 | 140.9 | -86.8 | 38.1 | 0 | 0 | 0 | 106 | ||||
| 23 | G | 24.7 | Very low | 27.3 | Very low | 75 Ų | 75 | 160.9 Ų | 160.9 | 77% | 0.773 | 85% | 0.846 | S | S | * | * | cis | 159.2 | 147.9 | 13.4 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 24 | F | 24.3 | Very low | 27.1 | Very low | 216 Ų | 216 | 157.4 Ų | 157.4 | 95% | 0.947 | 85% | 0.846 | S | S | * | * | trans | -64.7 | 157.9 | -170.8 | -83 | -112.1 | 0 | 0 | 0 | 116.3 | ||||
| 25 | A | 26.2 | Very low | 26.9 | Very low | 105 Ų | 105 | 154.9 Ų | 154.9 | 87% | 0.868 | 84% | 0.84 | S | S | * | * | trans | -169.8 | 135.7 | 131.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 26 | S | 27.5 | Very low | 26.8 | Very low | 125 Ų | 125 | 158.3 Ų | 158.3 | 87% | 0.874 | 85% | 0.846 | S | S | * | * | trans | -88.9 | 151 | 172.6 | 51.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 27 | G | 23.9 | Very low | 26.4 | Very low | 82 Ų | 82 | 157 Ų | 157 | 85% | 0.845 | 85% | 0.849 | S | S | * | * | trans | -167.1 | 122.9 | 166.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 28 | L | 24.6 | Very low | 26.6 | Very low | 130 Ų | 130 | 151.7 Ų | 151.7 | 68% | 0.681 | 84% | 0.843 | S | S | * | * | trans | -90.2 | 175 | 173.4 | -79.9 | 157.6 | 0 | 0 | 0 | 110.8 | ||||
| 29 | Y | 25.6 | Very low | 26.7 | Very low | 203 Ų | 203 | 152.1 Ų | 152.1 | 80% | 0.796 | 85% | 0.847 | S | S | * | * | trans | 71.2 | 137.1 | 167.6 | -13.3 | -79.5 | 0 | 0 | 0 | 114.7 | ||||
| 30 | E | 24.7 | Very low | 26.7 | Very low | 189 Ų | 189 | 143.7 Ų | 143.7 | 88% | 0.883 | 84% | 0.836 | S | S | * | * | cis | -167.2 | 151.9 | 38.8 | -162.3 | 159.8 | -154.9 | 0 | 0 | 109.9 | ||||
| 31 | A | 29 | Very low | 27.2 | Very low | 98 Ų | 98 | 142.8 Ų | 142.8 | 81% | 0.81 | 84% | 0.838 | S | S | * | * | trans | -92.5 | 130 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 32 | E | 25.2 | Very low | 27.4 | Very low | 194 Ų | 194 | 142.5 Ų | 142.5 | 91% | 0.907 | 84% | 0.837 | S | S | * | * | trans | -126.8 | 122 | 165.1 | -88.2 | -169 | 148.8 | 0 | 0 | 111.7 | ||||
| 33 | L | 25.6 | Very low | 27.8 | Very low | 175 Ų | 175 | 141.9 Ų | 141.9 | 92% | 0.916 | 84% | 0.839 | S | S | * | * | trans | -76.2 | 133.6 | 167.3 | -81.7 | 138 | 0 | 0 | 0 | 109.8 | ||||
| 34 | G | 25.1 | Very low | 28.1 | Very low | 79 Ų | 79 | 143.2 Ų | 143.2 | 81% | 0.814 | 84% | 0.837 | S | S | * | * | trans | -140.3 | 115.3 | 166.8 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 35 | L | 25.6 | Very low | 28.6 | Very low | 145 Ų | 145 | 142 Ų | 142 | 76% | 0.759 | 83% | 0.831 | S | S | * | * | trans | -83.6 | 138.2 | -179.8 | -116.7 | 90.8 | 0 | 0 | 0 | 112.5 | ||||
| 36 | E | 26.5 | Very low | 28.9 | Very low | 164 Ų | 164 | 140.9 Ų | 140.9 | 77% | 0.766 | 82% | 0.822 | S | S | * | * | trans | 61.1 | 125.2 | 143.8 | -64.6 | -175 | 168.9 | 0 | 0 | 123.5 | ||||
| 37 | S | 25.7 | Very low | 29.2 | Very low | 122 Ų | 122 | 141 Ų | 141 | 85% | 0.853 | 81% | 0.812 | S | S | * | * | -147 | 135.9 | 123.4 | 86.3 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 38 | V | 35.4 | Very low | 29.5 | Very low | 143 Ų | 143 | 142.5 Ų | 142.5 | 87% | 0.867 | 81% | 0.81 | S | S | * | * | trans | -90.4 | 133.5 | 178.7 | 173.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 39 | G | 28.8 | Very low | 30 | Very low | 77 Ų | 77 | 140.8 Ų | 140.8 | 79% | 0.794 | 81% | 0.805 | S | S | * | * | trans | 140.5 | 107.6 | 158.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 40 | G | 29.2 | Very low | 30.3 | Very low | 67 Ų | 67 | 136.4 Ų | 136.4 | 69% | 0.691 | 80% | 0.804 | S | S | * | * | trans | 146.5 | 102.8 | 162.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | R42 | G40-R42 PolarHBondContact O-N 2.71Š| ||
| 41 | D | 39.1 | Very low | 30.7 | Very low | 177 Ų | 177 | 131.4 Ų | 131.4 | 95% | 0.947 | 79% | 0.789 | S | S | * | * | trans | -42.9 | 108.7 | 168.8 | -78.6 | -34.6 | 0 | 0 | 0 | 111.4 | ||||
| 42 | R | 31.6 | Very low | 30.8 | Very low | 227 Ų | 227 | 131.9 Ų | 131.9 | 86% | 0.857 | 79% | 0.787 | S | S | * | * | trans | -123.8 | 107.5 | 164.2 | -74.5 | -173.7 | 167.3 | -176.4 | -2.6 | 106.5 | G40 S44 | G40-R42 PolarHBondContact O-N 2.71Å; R42-S44 VanDerWaalsContact C-N 3.29Å; R42-S44 PolarHBondContact O-N 3.19Å | ||
| 43 | L | 35.4 | Very low | 31.7 | Very low | 186 Ų | 186 | 130.2 Ų | 130.2 | 97% | 0.974 | 78% | 0.784 | S | S | * | * | trans | -50.5 | 98.9 | 162.7 | -78.6 | 161.3 | 0 | 0 | 0 | 107.8 | F45 | L43-F45 PolarHBondContact O-N 2.95Š| ||
| 44 | S | 30.2 | Very low | 32.4 | Very low | 103 Ų | 103 | 130.7 Ų | 130.7 | 72% | 0.72 | 78% | 0.781 | S | S | * | * | trans | -73.7 | 112.3 | 171.1 | 49.6 | 0 | 0 | 0 | 0 | 106.7 | R42 A46 | R42-S44 VanDerWaalsContact C-N 3.29Å; R42-S44 PolarHBondContact O-N 3.19Å; S44-A46 PolarHBondContact O-N 2.76Å | ||
| 45 | F | 35.6 | Very low | 33.4 | Very low | 191 Ų | 191 | 135 Ų | 135 | 84% | 0.838 | 79% | 0.785 | S | S | * | * | trans | -72 | 74.6 | 160 | -164.7 | -91.2 | 0 | 0 | 0 | 106.9 | L43 L47 | L43-F45 PolarHBondContact O-N 2.95Å; F45-L47 VanDerWaalsContact C-N 3.32Å; F45-L47 HydrophobicContact CE1-CD1 4.24Å; F45-L47 PolarHBondContact O-N 3.35Å | ||
| 46 | A | 33.1 | Very low | 34.3 | Very low | 82 Ų | 82 | 131.6 Ų | 131.6 | 68% | 0.678 | 79% | 0.786 | S | S | * | * | trans | -70.5 | 96.4 | 169.6 | 0 | 0 | 0 | 0 | 0 | 106.6 | S44 S48 | S44-A46 PolarHBondContact O-N 2.76Å; A46-S48 PolarHBondContact O-N 3.29Å | ||
| 47 | L | 33.1 | Very low | 35.3 | Very low | 127 Ų | 127 | 129.6 Ų | 129.6 | 67% | 0.665 | 79% | 0.787 | S | S | * | * | trans | -56.8 | 110.1 | 156.9 | -164.5 | 82.5 | 0 | 0 | 0 | 105.2 | F45 T49 | F45-L47 VanDerWaalsContact C-N 3.32Å; F45-L47 HydrophobicContact CE1-CD1 4.24Å; F45-L47 PolarHBondContact O-N 3.35Å; L47-T49 PolarHBondContact O-N 3.49Å | ||
| 48 | S | 30.6 | Very low | 36.5 | Very low | 113 Ų | 113 | 130.5 Ų | 130.5 | 79% | 0.79 | 78% | 0.782 | S | S | * | * | trans | -67 | 79.3 | 169.9 | 61.6 | 0 | 0 | 0 | 0 | 107.6 | A46 S50 | A46-S48 PolarHBondContact O-N 3.29Å; S48-S50 VanDerWaalsContact C-N 3.26Å; S48-S50 PolarHBondContact O-N 3.38Å; S48-S50 VanDerWaalsContact O-N 3.1Å | ||
| 49 | T | 36.1 | Very low | 37 | Very low | 94 Ų | 94 | 135 Ų | 135 | 58% | 0.577 | 78% | 0.784 | S | S | * | * | trans | -71.3 | 100.1 | 156.2 | -41.9 | 0 | 0 | 0 | 0 | 103 | L47 C51 | L47-T49 PolarHBondContact O-N 3.49Å; T49-C51 WeakPolarHBondContact CG2-SG 3.44Å; T49-C51 PolarHBondContact O-N 3.24Å | ||
| 50 | S | 31.7 | Very low | 38.1 | Very low | 111 Ų | 111 | 139.4 Ų | 139.4 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | trans | -65.7 | 75.7 | 169.6 | 52.6 | 0 | 0 | 0 | 0 | 108 | S48 S52 | S48-S50 VanDerWaalsContact C-N 3.26Å; S48-S50 PolarHBondContact O-N 3.38Å; S48-S50 VanDerWaalsContact O-N 3.1Å; S50-S52 VanDerWaalsContact C-N 3.29Å; S50-S52 PolarHBondContact O-N 3.2Å | ||
| 51 | C | 32.5 | Very low | 39.5 | Very low | 85 Ų | 85 | 142.3 Ų | 142.3 | 57% | 0.574 | 78% | 0.779 | S | S | * | * | trans | -88.8 | 74.6 | 165.9 | -70.4 | 0 | 0 | 0 | 0 | 107 | T49 N53 | T49-C51 WeakPolarHBondContact CG2-SG 3.44Å; T49-C51 PolarHBondContact O-N 3.24Å; C51-N53 PolarHBondContact O-N 3.1Å | ||
| 52 | S | 30.8 | Very low | 40.3 | Very low | 108 Ų | 108 | 141.9 Ų | 141.9 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | trans | -71.1 | 108.4 | 155.2 | 37.8 | 0 | 0 | 0 | 0 | 107.1 | S50 E54 | S50-S52 VanDerWaalsContact C-N 3.29Å; S50-S52 PolarHBondContact O-N 3.2Å; S52-E54 PolarHBondContact O-N 2.91Å | ||
| 53 | N | 43.2 | Very low | 41.7 | Very low | 158 Ų | 158 | 134.9 Ų | 134.9 | 85% | 0.845 | 75% | 0.747 | S | S | * | * | trans | -71.3 | 97.9 | 166.7 | -79.2 | -25.5 | 0 | 0 | 0 | 108.3 | C51 | C51-N53 PolarHBondContact O-N 3.1Š| ||
| 54 | E | 41.6 | Very low | 42.8 | Very low | 185 Ų | 185 | 130.3 Ų | 130.3 | 86% | 0.864 | 72% | 0.724 | S | S | * | * | trans | -145.7 | 148.5 | 153.6 | -69.1 | -151.3 | 157.5 | 0 | 0 | 108.6 | S52 | S52-E54 PolarHBondContact O-N 2.91Š| ||
| 55 | D | 45.8 | Very low | 44.4 | Very low | 169 Ų | 169 | 129.3 Ų | 129.3 | 90% | 0.904 | 71% | 0.708 | S | S | * | * | trans | -49.4 | 148.4 | -165.4 | -65.7 | -64.7 | 0 | 0 | 0 | 116.3 | ||||
| 56 | G | 45.4 | Very low | 46.2 | Very low | 74 Ų | 74 | 120.5 Ų | 120.5 | 76% | 0.763 | 67% | 0.671 | S | S | * | * | trans | -63.4 | 167.2 | -156 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 57 | P | 47.7 | Very low | 49 | Very low | 123 Ų | 123 | 117.3 Ų | 117.3 | 80% | 0.799 | 64% | 0.642 | S | S | * | * | -132.2 | 170.5 | 109.1 | 37 | -26.8 | 0 | 0 | 0 | 111.4 | R59 | P57-R59 PolarHBondContact O-N 2.59Å; P57-R59 VanDerWaalsContact O-N 3.15Å | |||
| 58 | D | 50.3 | Low | 52.1 | Low | 141 Ų | 141 | 111.2 Ų | 111.2 | 75% | 0.754 | 61% | 0.611 | S | S | * | * | trans | -25 | 117.4 | 172.8 | -87.4 | -38.1 | 0 | 0 | 0 | 112.8 | K60 | D58-K60 HydrophobicContact CB-CG 4.14Å; D58-K60 PolarHBondContact O-N 3.14Å | ||
| 59 | R | 45.9 | Very low | 55.2 | Low | 237 Ų | 237 | 105.9 Ų | 105.9 | 89% | 0.894 | 57% | 0.573 | S | S | * | * | trans | -66.4 | 80.1 | 164 | -74.6 | -175.2 | 175.9 | 178.3 | -0.8 | 107.3 | P57 I61 | P57-R59 PolarHBondContact O-N 2.59Å; P57-R59 VanDerWaalsContact O-N 3.15Å; R59-I61 PolarHBondContact O-N 2.86Å | ||
| 60 | K | 51.2 | Low | 58.1 | Low | 170 Ų | 170 | 101.4 Ų | 101.4 | 74% | 0.739 | 55% | 0.546 | S | S | * | . | trans | -61 | 111.3 | 171.7 | -70.9 | -177.7 | -179 | 178.5 | 0 | 105.6 | D58 E62 | D58-K60 HydrophobicContact CB-CG 4.14Å; D58-K60 PolarHBondContact O-N 3.14Å; K60-E62 VanDerWaalsContact C-N 3.34Å; K60-E62 PolarHBondContact O-N 3.38Å | ||
| 61 | I | 58.8 | Low | 61.3 | Low | 128 Ų | 128 | 96.1 Ų | 96.1 | 66% | 0.656 | 51% | 0.509 | S | S | * | . | trans | -58.6 | 106.6 | 167.1 | -63.2 | 172.6 | 0 | 0 | 0 | 104.8 | R59 F63 | R59-I61 PolarHBondContact O-N 2.86Å; I61-F63 VanDerWaalsContact C-N 3.32Å; I61-F63 HydrophobicContact CB-CE2 4.33Å; I61-F63 HydrophobicContact CB-CZ 4.25Å; I61-F63 HydrophobicContact CG2-CD1 4.11Å; I61-F63 HydrophobicContact CG2-CE1 3.9Å; I61-F63 HydrophobicContact CG2-CE2 4.41Å; I61-F63 HydrophobicContact CG2-CG 4.46Å; I61-F63 HydrophobicContact CG2-CZ 4.07Å; I61-F63 VanDerWaalsContact O-CD2 3.3Å; I61-F63 WeakPolarHBondContact O-CD2 3.44Å; I61-F63 PolarHBondContact O-N 3Å | ||
| 62 | E | 55.2 | Low | 64.3 | Low | 167 Ų | 167 | 92.1 Ų | 92.1 | 78% | 0.78 | 48% | 0.482 | S | S | * | . | trans | -68.5 | 98.3 | 172.2 | -76 | -168.3 | 166.9 | 0 | 0 | 107.2 | K60 L64 | K60-E62 VanDerWaalsContact C-N 3.34Å; K60-E62 PolarHBondContact O-N 3.38Å; E62-L64 PolarHBondContact O-N 2.86Å; E62-L64 VanDerWaalsContact O-N 3.08Å | ||
| 63 | F | 61 | Low | 67.4 | Low | 80 Ų | 80 | 89.4 Ų | 89.4 | 35% | 0.351 | 46% | 0.456 | S | S | . | . | trans | -69.2 | 107.8 | 173.4 | -65.9 | -75.9 | 0 | 0 | 0 | 108 | I61 H65 G160 | I61-F63 VanDerWaalsContact C-N 3.32Å; I61-F63 HydrophobicContact CB-CE2 4.33Å; I61-F63 HydrophobicContact CB-CZ 4.25Å; I61-F63 HydrophobicContact CG2-CD1 4.11Å; I61-F63 HydrophobicContact CG2-CE1 3.9Å; I61-F63 HydrophobicContact CG2-CE2 4.41Å; I61-F63 HydrophobicContact CG2-CG 4.46Å; I61-F63 HydrophobicContact CG2-CZ 4.07Å; I61-F63 VanDerWaalsContact O-CD2 3.3Å; I61-F63 WeakPolarHBondContact O-CD2 3.44Å; I61-F63 PolarHBondContact O-N 3Å; F63-H65 WeakPolarHBondContact CB-NE2 3.17Å; F63-H65 PolarHBondContact O-CE1 3.24Å; F63-H65 PolarHBondContact O-N 3.06Å; F63-H65 PolarHBondContact O-ND1 3.27Å; F63-H65 VanDerWaalsContact O-ND1 3.17Å; F63-G160 WeakPolarHBondContact CE2-O 3.31Å | ||
| 64 | L | 60 | Low | 69.7 | Low | 91 Ų | 91 | 83 Ų | 83 | 48% | 0.476 | 42% | 0.421 | S | S | . | . | trans | -81 | 100.5 | 169.1 | -68.3 | 167.9 | 0 | 0 | 0 | 107.7 | E62 G66 | E62-L64 PolarHBondContact O-N 2.86Å; E62-L64 VanDerWaalsContact O-N 3.08Å; L64-G66 VanDerWaalsContact C-N 3.34Å; L64-G66 PolarHBondContact O-N 2.86Å | ||
| 65 | H | 63.8 | Low | 72 | Confident | 82 Ų | 82 | 79.1 Ų | 79.1 | 38% | 0.38 | 40% | 0.403 | S | S | . | . | trans | -79 | 79.8 | -175.7 | -55.4 | 107.9 | 0 | 0 | 0 | 111.6 | F63 T67 S162 S196 | F63-H65 WeakPolarHBondContact CB-NE2 3.17Å; F63-H65 PolarHBondContact O-CE1 3.24Å; F63-H65 PolarHBondContact O-N 3.06Å; F63-H65 PolarHBondContact O-ND1 3.27Å; F63-H65 VanDerWaalsContact O-ND1 3.17Å; H65-T67 PolarHBondContact O-N 3.02Å; H65-S162 PolarHBondContact NE2-OG 3.01Å; H65-S196 WeakPolarHBondContact O-CB 3.45Å; H65-S196 PolarHBondContact O-OG 2.95Å; H65-S196 VanDerWaalsContact O-OG 3.08Å | ||
| 66 | G | 73.6 | Confident | 74.3 | Confident | 6 Ų | 6 | 75.5 Ų | 75.5 | 6% | 0.062 | 38% | 0.38 | C | S | . | . | trans | -88.6 | 89.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | L64 K99 | L64-G66 VanDerWaalsContact C-N 3.34Å; L64-G66 PolarHBondContact O-N 2.86Å; G66-K99 PolarHBondContact O-NZ 3.17Å | ||
| 67 | T | 91.9 | Very high | 76.6 | Confident | 14 Ų | 14 | 72 Ų | 72 | 9% | 0.086 | 34% | 0.344 | C | S | . | . | trans | -165.7 | 150 | -176.4 | -69.2 | 0 | 0 | 0 | 0 | 112.6 | H65 T69 K99 A112 G195 S196 G197 | H65-T67 PolarHBondContact O-N 3.02Å; T67-T69 HydrophobicContact CG2-CG2 3.67Å; T67-K99 HydrophobicContact CG2-CD 3.58Å; T67-K99 PolarHBondContact OG1-NZ 3.27Å; T67-A112 HydrophobicContact CG2-CB 4.09Å; T67-G195 CarbonylContact O-C 3.59Å; T67-G195 WeakPolarHBondContact O-CA 3.48Å; T67-S196 PolarHBondContact N-OG 3.32Å; T67-S196 PolarHBondContact O-N 2.89Å; T67-S196 PolarHBondContact O-OG 2.94Å; T67-G197 PolarHBondContact O-N 3.01Å | ||
| 68 | T | 96.6 | Very high | 78.9 | Confident | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 31% | 0.306 | C | S | . | . | trans | -127.2 | 118.5 | 161.7 | -54.7 | 0 | 0 | 0 | 0 | 110.2 | D83 G197 A201 I227 A230 S237 | T68-D83 PolarHBondContact N-OD1 3.49Å; T68-D83 PolarHBondContact O-N 3.09Å; T68-D83 VanDerWaalsContact O-N 3.07Å; T68-D83 VanDerWaalsContact O-OD1 3.1Å; T68-G197 WeakPolarHBondContact OG1-CA 3.38Å; T68-G197 PolarHBondContact OG1-N 3.27Å; T68-A201 HydrophobicContact CG2-CB 4.06Å; T68-I227 HydrophobicContact CG2-CD1 3.62Å; T68-A230 HydrophobicContact CG2-CB 3.74Å; T68-S237 PolarHBondContact N-OG 2.94Å; T68-S237 WeakPolarHBondContact OG1-CB 3.22Å; T68-S237 PolarHBondContact OG1-OG 3.38Å | ||
| 69 | T | 97.2 | Very high | 81.1 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 144.7 | 169 | 60.9 | 0 | 0 | 0 | 0 | 109.4 | T67 V82 A112 M166 A193 V194 | T67-T69 HydrophobicContact CG2-CG2 3.67Å; T69-V82 HydrophobicContact CG2-CB 4.03Å; T69-V82 HydrophobicContact CG2-CG1 3.55Å; T69-A112 HydrophobicContact CG2-CB 4.44Å; T69-M166 VanDerWaalsContact OG1-CE 3.27Å; T69-M166 WeakPolarHBondContact OG1-CE 3.27Å; T69-A193 CarbonylContact O-C 3.17Å; T69-A193 WeakPolarHBondContact O-CA 3.42Å; T69-V194 PolarHBondContact N-O 2.83Å; T69-V194 PolarHBondContact O-N 2.92Å; T69-V194 PolarHBondContact OG1-O 3.29Å |
| 70 | L | 97.1 | Very high | 83.6 | Confident | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 137 | -178.9 | 170.7 | 75.2 | 0 | 0 | 0 | 108.5 | F72 V80 A81 L191 F192 A193 V205 A226 I227 | L70-F72 HydrophobicContact CD2-CD1 4.14Å; L70-F72 HydrophobicContact CD2-CE1 4.26Å; L70-F72 HydrophobicContact CG-CD1 4.25Å; L70-V80 WeakPolarHBondContact O-CA 3.36Å; L70-A81 PolarHBondContact N-O 2.87Å; L70-A81 PolarHBondContact O-N 2.84Å; L70-A81 VanDerWaalsContact O-O 3.13Å; L70-L191 HydrophobicContact CD1-CD1 3.62Å; L70-F192 CarbonylContact C-O 3.56Å; L70-F192 WeakPolarHBondContact CA-O 3.36Å; L70-A193 HydrophobicContact CD1-CB 3.95Å; L70-V205 HydrophobicContact CD1-CB 4.47Å; L70-V205 HydrophobicContact CD1-CG1 4.48Å; L70-V205 HydrophobicContact CD1-CG2 3.83Å; L70-V205 HydrophobicContact CD2-CG2 3.46Å; L70-V205 VanDerWaalsContact CD2-CG2 3.46Å; L70-V205 HydrophobicContact CG-CG2 4.28Å; L70-A226 HydrophobicContact CD2-CB 3.78Å; L70-I227 HydrophobicContact CB-CD1 3.99Å |
| 71 | A | 97.6 | Very high | 85.8 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 137.8 | 166.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | I79 V80 M166 L177 F192 | A71-I79 VanDerWaalsContact CA-O 3.23Å; A71-I79 WeakPolarHBondContact CA-O 3.47Å; A71-V80 HydrophobicContact CB-CG2 4.15Å; A71-M166 HydrophobicContact CB-CE 4.21Å; A71-M166 HydrophobicContact CB-SD 3.81Å; A71-L177 HydrophobicContact CB-CD1 3.67Å; A71-L177 HydrophobicContact CB-CD2 4.21Å; A71-F192 PolarHBondContact N-O 2.75Å; A71-F192 PolarHBondContact O-N 2.77Å; A71-F192 VanDerWaalsContact O-O 3.13Å |
| 72 | F | 96.3 | Very high | 87.7 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 146.2 | 175.3 | 66.8 | -91.8 | 0 | 0 | 0 | 112.6 | L70 V78 I79 D190 L191 V205 L209 A219 L222 | L70-F72 HydrophobicContact CD2-CD1 4.14Å; L70-F72 HydrophobicContact CD2-CE1 4.26Å; L70-F72 HydrophobicContact CG-CD1 4.25Å; F72-V78 WeakPolarHBondContact O-CA 3.23Å; F72-V78 WeakPolarHBondContact O-CG1 3.42Å; F72-I79 HydrophobicContact CD1-CB 4.33Å; F72-I79 HydrophobicContact CE1-CB 3.81Å; F72-I79 HydrophobicContact CE1-CG2 3.93Å; F72-I79 HydrophobicContact CE2-CB 4.17Å; F72-I79 HydrophobicContact CE2-CG1 4.16Å; F72-I79 HydrophobicContact CZ-CB 3.73Å; F72-I79 HydrophobicContact CZ-CG1 3.91Å; F72-I79 HydrophobicContact CZ-CG2 4.1Å; F72-I79 PolarHBondContact N-O 2.76Å; F72-I79 PolarHBondContact O-N 2.83Å; F72-D190 CarbonylContact C-O 3.57Å; F72-D190 WeakPolarHBondContact CA-O 3.22Å; F72-L191 HydrophobicContact CB-CB 4.38Å; F72-L191 HydrophobicContact CB-CD1 3.62Å; F72-V205 HydrophobicContact CD1-CG1 4.08Å; F72-V205 HydrophobicContact CG-CG1 4.31Å; F72-L209 HydrophobicContact CB-CD1 4.36Å; F72-L209 HydrophobicContact CD2-CD2 4Å; F72-L209 HydrophobicContact CE2-CD2 4.42Å; F72-A219 HydrophobicContact CE2-CB 4.2Å; F72-A219 HydrophobicContact CZ-CB 4.28Å; F72-A219 WeakPolarHBondContact CZ-O 3.29Å; F72-L222 HydrophobicContact CZ-CD2 4.33Å |
| 73 | K | 94.8 | Very high | 89.7 | Confident | 52 Ų | 52 | 26 Ų | 26 | 23% | 0.226 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 141.1 | 177 | -72.5 | 175.4 | 55.7 | -156.1 | 0 | 110.1 | G77 V78 P175 L177 D190 | K73-G77 WeakPolarHBondContact CA-O 3.37Å; K73-V78 HydrophobicContact CG-CG1 4.49Å; K73-V78 HydrophobicContact CG-CG2 3.99Å; K73-P175 WeakPolarHBondContact CE-O 3.34Å; K73-L177 HydrophobicContact CD-CB 3.76Å; K73-L177 HydrophobicContact CG-CB 3.91Å; K73-L177 HydrophobicContact CG-CD2 4.27Å; K73-D190 HydrophobicContact CB-CB 4.31Å; K73-D190 WeakPolarHBondContact CD-OD1 3.19Å; K73-D190 WeakPolarHBondContact CE-OD1 3.42Å; K73-D190 PolarHBondContact N-O 2.93Å; K73-D190 IonicContact NZ-OD1 3.57Å; K73-D190 PolarHBondContact NZ-OD1 2.86Å |
| 74 | F | 93 | Very high | 91.4 | Very high | 22 Ų | 22 | 22.1 Ų | 22.1 | 10% | 0.096 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | -179 | 173.1 | 75.5 | -66.6 | 0 | 0 | 0 | 109.2 | H76 G77 I79 V216 A219 H245 | F74-H76 VanDerWaalsContact C-N 3.26Å; F74-H76 HydrophobicContact CD2-CB 4.27Å; F74-H76 HydrophobicContact CE2-CB 3.55Å; F74-H76 AromaticContact CE2-CD2 3.87Å; F74-H76 HydrophobicContact CZ-CB 3.79Å; F74-H76 PolarHBondContact O-N 3.15Å; F74-G77 VanDerWaalsContact CD1-O 3.23Å; F74-G77 WeakPolarHBondContact CD1-O 3.43Å; F74-G77 PolarHBondContact N-O 2.67Å; F74-G77 PolarHBondContact O-N 3.29Å; F74-I79 HydrophobicContact CD1-CG1 4.07Å; F74-I79 HydrophobicContact CE1-CD1 3.74Å; F74-I79 HydrophobicContact CE1-CG1 3.59Å; F74-I79 HydrophobicContact CZ-CD1 4.01Å; F74-I79 HydrophobicContact CZ-CG1 4.17Å; F74-V216 HydrophobicContact CE2-CG2 4.22Å; F74-V216 HydrophobicContact CZ-CG2 4.33Å; F74-A219 HydrophobicContact CD1-CB 4.46Å; F74-A219 HydrophobicContact CD2-CB 3.9Å; F74-A219 HydrophobicContact CE1-CB 4.41Å; F74-A219 HydrophobicContact CE2-CB 3.78Å; F74-A219 HydrophobicContact CG-CB 4.24Å; F74-A219 HydrophobicContact CZ-CB 4.07Å; F74-H245 AromaticContact CZ-NE2 3.77Å |
| 75 | Q | 89.9 | Confident | 93.1 | Very high | 105 Ų | 105 | 20.1 Ų | 20.1 | 49% | 0.491 | 9% | 0.093 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -37.2 | -171 | -57.8 | -173 | 1.2 | 0 | 0 | 113.9 | K212 D213 | Q75-K212 PolarHBondContact NE2-O 2.71Å; Q75-D213 PolarHBondContact NE2-OD1 3.24Å |
| 76 | H | 92.3 | Very high | 94.6 | Very high | 92 Ų | 92 | 17.5 Ų | 17.5 | 43% | 0.426 | 9% | 0.086 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | 16.6 | -177.8 | -50.7 | -63.7 | 0 | 0 | 0 | 113.2 | F74 V216 H245 | F74-H76 VanDerWaalsContact C-N 3.26Å; F74-H76 HydrophobicContact CD2-CB 4.27Å; F74-H76 HydrophobicContact CE2-CB 3.55Å; F74-H76 AromaticContact CE2-CD2 3.87Å; F74-H76 HydrophobicContact CZ-CB 3.79Å; F74-H76 PolarHBondContact O-N 3.15Å; H76-V216 HydrophobicContact CB-CG2 3.74Å; H76-H245 PolarHBondContact O-NE2 3.12Å |
| 77 | G | 93.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 126 | -131.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | K73 F74 W170 V246 | K73-G77 WeakPolarHBondContact CA-O 3.37Å; F74-G77 VanDerWaalsContact CD1-O 3.23Å; F74-G77 WeakPolarHBondContact CD1-O 3.43Å; F74-G77 PolarHBondContact N-O 2.67Å; F74-G77 PolarHBondContact O-N 3.29Å; G77-W170 VanDerWaalsContact CA-CZ3 3.41Å; G77-V246 WeakPolarHBondContact CA-O 3.16Å |
| 78 | V | 96.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 130.9 | -176.2 | -164.5 | 0 | 0 | 0 | 0 | 109.7 | F72 K73 V80 C168 P175 V246 | F72-V78 WeakPolarHBondContact O-CA 3.23Å; F72-V78 WeakPolarHBondContact O-CG1 3.42Å; K73-V78 HydrophobicContact CG-CG1 4.49Å; K73-V78 HydrophobicContact CG-CG2 3.99Å; V78-V80 HydrophobicContact CG1-CG2 4.4Å; V78-C168 HydrophobicContact CG1-CB 4.47Å; V78-P175 HydrophobicContact CG2-CB 3.72Å; V78-V246 HydrophobicContact CB-CB 4.01Å; V78-V246 HydrophobicContact CB-CG2 4.3Å; V78-V246 HydrophobicContact CG2-CB 4.42Å; V78-V246 PolarHBondContact N-O 3.29Å; V78-V246 PolarHBondContact O-N 3.06Å |
| 79 | I | 97.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 131.9 | 166.9 | -62.3 | -54.6 | 0 | 0 | 0 | 108.2 | A71 F72 F74 A219 L243 H245 | A71-I79 VanDerWaalsContact CA-O 3.23Å; A71-I79 WeakPolarHBondContact CA-O 3.47Å; F72-I79 HydrophobicContact CD1-CB 4.33Å; F72-I79 HydrophobicContact CE1-CB 3.81Å; F72-I79 HydrophobicContact CE1-CG2 3.93Å; F72-I79 HydrophobicContact CE2-CB 4.17Å; F72-I79 HydrophobicContact CE2-CG1 4.16Å; F72-I79 HydrophobicContact CZ-CB 3.73Å; F72-I79 HydrophobicContact CZ-CG1 3.91Å; F72-I79 HydrophobicContact CZ-CG2 4.1Å; F72-I79 PolarHBondContact N-O 2.76Å; F72-I79 PolarHBondContact O-N 2.83Å; F74-I79 HydrophobicContact CD1-CG1 4.07Å; F74-I79 HydrophobicContact CE1-CD1 3.74Å; F74-I79 HydrophobicContact CE1-CG1 3.59Å; F74-I79 HydrophobicContact CZ-CD1 4.01Å; F74-I79 HydrophobicContact CZ-CG1 4.17Å; I79-A219 HydrophobicContact CD1-CB 4.49Å; I79-A219 HydrophobicContact CG1-CB 3.9Å; I79-L243 HydrophobicContact CG2-CD1 4.3Å; I79-L243 HydrophobicContact CG2-CD2 4.21Å; I79-L243 HydrophobicContact CG2-CG 4.2Å; I79-H245 HydrophobicContact CD1-CB 4Å |
| 80 | V | 98.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 120.7 | 171.6 | -176 | 0 | 0 | 0 | 0 | 107.8 | L70 A71 V78 V82 V100 L108 T110 C168 L243 Y244 V246 | L70-V80 WeakPolarHBondContact O-CA 3.36Å; A71-V80 HydrophobicContact CB-CG2 4.15Å; V78-V80 HydrophobicContact CG1-CG2 4.4Å; V80-V82 HydrophobicContact CG1-CG1 4.42Å; V80-V100 HydrophobicContact CG1-CG2 3.99Å; V80-L108 HydrophobicContact CG2-CD1 4.45Å; V80-T110 HydrophobicContact CG1-CG2 3.61Å; V80-C168 HydrophobicContact CG2-CB 3.93Å; V80-L243 WeakPolarHBondContact O-CA 3.5Å; V80-Y244 PolarHBondContact N-O 3.05Å; V80-Y244 PolarHBondContact O-N 3.03Å; V80-V246 HydrophobicContact CG2-CG2 4.46Å |
| 81 | A | 97.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 131.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | L70 I227 N242 L243 | L70-A81 PolarHBondContact N-O 2.87Å; L70-A81 PolarHBondContact O-N 2.84Å; L70-A81 VanDerWaalsContact O-O 3.13Å; A81-I227 HydrophobicContact CB-CD1 4.42Å; A81-I227 HydrophobicContact CB-CG1 3.68Å; A81-N242 WeakPolarHBondContact CA-O 3.28Å; A81-L243 HydrophobicContact CB-CD1 4.23Å; A81-L243 HydrophobicContact CB-CG 4.49Å |
| 82 | V | 97.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 152.3 | -178.7 | -54.3 | 0 | 0 | 0 | 0 | 111.3 | T69 V80 K99 V100 T110 V241 N242 | T69-V82 HydrophobicContact CG2-CB 4.03Å; T69-V82 HydrophobicContact CG2-CG1 3.55Å; V80-V82 HydrophobicContact CG1-CG1 4.42Å; V82-K99 HydrophobicContact CB-CB 4.14Å; V82-K99 HydrophobicContact CG2-CB 3.97Å; V82-V100 HydrophobicContact CB-CG2 4.34Å; V82-V100 HydrophobicContact CG1-CG2 3.66Å; V82-V100 HydrophobicContact CG2-CG2 3.66Å; V82-T110 HydrophobicContact CG1-CG2 4.44Å; V82-V241 WeakPolarHBondContact O-CA 3.22Å; V82-N242 HydrophobicContact CG2-CB 3.88Å; V82-N242 PolarHBondContact N-O 3.43Å; V82-N242 PolarHBondContact O-N 2.95Å |
| 83 | D | 97.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 24% | 0.236 | C | C | . | . | trans | -80.3 | 178.2 | 164.8 | 86.2 | -56.5 | 0 | 0 | 0 | 111.5 | T68 R85 K99 I227 T231 S237 G238 Q240 | T68-D83 PolarHBondContact N-OD1 3.49Å; T68-D83 PolarHBondContact O-N 3.09Å; T68-D83 VanDerWaalsContact O-N 3.07Å; T68-D83 VanDerWaalsContact O-OD1 3.1Å; D83-R85 PolarHBondContact OD2-N 3.21Å; D83-K99 WeakPolarHBondContact O-CD 3.35Å; D83-K99 IonicContact OD1-NZ 3.61Å; D83-K99 PolarHBondContact OD1-NZ 3.28Å; D83-K99 IonicContact OD2-NZ 2.66Å; D83-K99 PolarHBondContact OD2-NZ 3.15Å; D83-I227 HydrophobicContact CB-CG2 4.1Å; D83-T231 HydrophobicContact CB-CG2 4.03Å; D83-S237 WeakPolarHBondContact OD2-CA 3.44Å; D83-G238 PolarHBondContact OD2-N 3.01Å; D83-Q240 CarbonylContact C-O 3.46Å; D83-Q240 WeakPolarHBondContact CA-O 3.39Å | ||
| 84 | S | 96.7 | Very high | 94 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | trans | -131.6 | 7.2 | -176.5 | 65.9 | 0 | 0 | 0 | 0 | 114.8 | Q95 T96 V97 G238 Q240 | S84-Q95 WeakPolarHBondContact CB-O 3.15Å; S84-Q95 CarbonylContact O-C 3.49Å; S84-Q95 PolarHBondContact OG-O 3.4Å; S84-T96 PolarHBondContact O-N 2.82Å; S84-V97 WeakPolarHBondContact CA-O 3.37Å; S84-V97 WeakPolarHBondContact CB-O 3.21Å; S84-V97 PolarHBondContact O-N 3.01Å; S84-G238 PolarHBondContact N-O 2.92Å; S84-G238 VanDerWaalsContact N-O 3.08Å; S84-Q240 PolarHBondContact N-O 2.59Å; S84-Q240 WeakPolarHBondContact OG-CA 3.34Å; S84-Q240 WeakPolarHBondContact OG-CB 3.49Å; S84-Q240 PolarHBondContact OG-N 3.5Å; S84-Q240 PolarHBondContact OG-O 3.39Å | ||
| 85 | R | 95.8 | Very high | 94.1 | Very high | 48 Ų | 48 | 44.7 Ų | 44.7 | 18% | 0.181 | 26% | 0.255 | C | S | . | . | trans | -78.4 | 134.9 | 178.1 | 178.5 | 172 | -71.2 | 175.5 | 1.2 | 111.2 | D83 T87 I92 S94 K99 A235 Y236 S237 G238 | D83-R85 PolarHBondContact OD2-N 3.21Å; R85-T87 HydrophobicContact CG-CG2 3.91Å; R85-I92 HydrophobicContact CG-CG2 4.13Å; R85-S94 CarbonylContact C-O 3.49Å; R85-S94 WeakPolarHBondContact CA-O 3.08Å; R85-K99 WeakPolarHBondContact O-CE 3.43Å; R85-K99 PolarHBondContact O-NZ 2.87Å; R85-A235 PolarHBondContact NH1-O 3.32Å; R85-Y236 WeakPolarHBondContact CD-O 3.04Å; R85-S237 PolarHBondContact NH1-O 3.3Å; R85-G238 WeakPolarHBondContact CB-O 2.8Å; R85-G238 PolarHBondContact N-O 3.26Å | ||
| 86 | A | 94.4 | Very high | 94.4 | Very high | 28 Ų | 28 | 44 Ų | 44 | 23% | 0.231 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 131.2 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | A93 S94 V97 | A86-A93 PolarHBondContact O-N 2.98Å; A86-S94 PolarHBondContact N-O 2.81Å; A86-S94 PolarHBondContact O-N 3.46Å; A86-S94 VanDerWaalsContact O-N 3.14Å; A86-V97 HydrophobicContact CB-CB 4.36Å; A86-V97 HydrophobicContact CB-CG2 3.57Å |
| 87 | T | 91.6 | Very high | 94.5 | Very high | 28 Ų | 28 | 41.4 Ų | 41.4 | 17% | 0.172 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 142.7 | -175.3 | 56 | 0 | 0 | 0 | 0 | 111.1 | R85 Y91 I92 Y236 | R85-T87 HydrophobicContact CG-CG2 3.91Å; T87-Y91 CarbonylContact C-O 3.59Å; T87-Y91 WeakPolarHBondContact CA-O 3.21Å; T87-I92 HydrophobicContact CG2-CG1 4.24Å; T87-Y236 HydrophobicContact CG2-CD1 4.07Å |
| 88 | A | 89.3 | Confident | 94.6 | Very high | 68 Ų | 68 | 47.6 Ų | 47.6 | 56% | 0.562 | 28% | 0.276 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 87.2 | 168.8 | 0 | 0 | 0 | 0 | 0 | 107.5 | Y91 | A88-Y91 PolarHBondContact N-O 2.92Å; A88-Y91 PolarHBondContact O-N 3.47Å |
| 89 | G | 87.4 | Confident | 94.5 | Very high | 25 Ų | 25 | 47.8 Ų | 47.8 | 26% | 0.258 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.6 | -134.6 | -167.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y91 Y236 | G89-Y91 VanDerWaalsContact C-N 3.27Å; G89-Y236 WeakPolarHBondContact O-CE1 3.35Å |
| 90 | S | 88.9 | Confident | 94.5 | Very high | 121 Ų | 121 | 48.1 Ų | 48.1 | 85% | 0.846 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -13.1 | 172.9 | 52.5 | 0 | 0 | 0 | 0 | 113.5 | ||
| 91 | Y | 91.6 | Very high | 94.5 | Very high | 165 Ų | 165 | 49.5 Ų | 49.5 | 65% | 0.647 | 29% | 0.286 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 127.3 | -179.7 | -179.6 | -105 | 0 | 0 | 0 | 111.1 | T87 A88 G89 A93 | T87-Y91 CarbonylContact C-O 3.59Å; T87-Y91 WeakPolarHBondContact CA-O 3.21Å; A88-Y91 PolarHBondContact N-O 2.92Å; A88-Y91 PolarHBondContact O-N 3.47Å; G89-Y91 VanDerWaalsContact C-N 3.27Å; Y91-A93 PolarHBondContact O-N 3.41Å |
| 92 | I | 94.4 | Very high | 94.4 | Very high | 62 Ų | 62 | 54.1 Ų | 54.1 | 32% | 0.318 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 105.9 | 173.5 | -60.5 | 170.2 | 0 | 0 | 0 | 108.2 | R85 T87 Q95 | R85-I92 HydrophobicContact CG-CG2 4.13Å; T87-I92 HydrophobicContact CG2-CG1 4.24Å; I92-Q95 HydrophobicContact CG2-CG 3.74Å |
| 93 | A | 93.8 | Very high | 94.3 | Very high | 61 Ų | 61 | 54.5 Ų | 54.5 | 50% | 0.504 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | -38.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | A86 Y91 | A86-A93 PolarHBondContact O-N 2.98Å; Y91-A93 PolarHBondContact O-N 3.41Å |
| 94 | S | 95.3 | Very high | 94.2 | Very high | 39 Ų | 39 | 55.6 Ų | 55.6 | 27% | 0.273 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 153.2 | 176.7 | 178.4 | 0 | 0 | 0 | 0 | 111.3 | R85 A86 T96 | R85-S94 CarbonylContact C-O 3.49Å; R85-S94 WeakPolarHBondContact CA-O 3.08Å; A86-S94 PolarHBondContact N-O 2.81Å; A86-S94 PolarHBondContact O-N 3.46Å; A86-S94 VanDerWaalsContact O-N 3.14Å; S94-T96 PolarHBondContact OG-N 2.66Å; S94-T96 PolarHBondContact OG-OG1 2.86Å |
| 95 | Q | 95.2 | Very high | 94.1 | Very high | 96 Ų | 96 | 60.3 Ų | 60.3 | 45% | 0.449 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -112.5 | 3.3 | 173.9 | -61.6 | -164.1 | 42.6 | 0 | 0 | 113 | S84 I92 | S84-Q95 WeakPolarHBondContact CB-O 3.15Å; S84-Q95 CarbonylContact O-C 3.49Å; S84-Q95 PolarHBondContact OG-O 3.4Å; I92-Q95 HydrophobicContact CG2-CG 3.74Å |
| 96 | T | 95.8 | Very high | 94.1 | Very high | 91 Ų | 91 | 58.7 Ų | 58.7 | 56% | 0.558 | 34% | 0.34 | S | S | * | . | trans | -126.8 | 23.6 | -171.1 | 55 | 0 | 0 | 0 | 0 | 113 | S84 S94 K98 | S84-T96 PolarHBondContact O-N 2.82Å; S94-T96 PolarHBondContact OG-N 2.66Å; S94-T96 PolarHBondContact OG-OG1 2.86Å; T96-K98 PolarHBondContact O-N 3.39Å | ||
| 97 | V | 95.9 | Very high | 94.2 | Very high | 38 Ų | 38 | 57.3 Ų | 57.3 | 23% | 0.23 | 33% | 0.329 | C | S | . | . | trans | -69.4 | 131 | 178.9 | 179.2 | 0 | 0 | 0 | 0 | 110.2 | S84 A86 K99 M111 | S84-V97 WeakPolarHBondContact CA-O 3.37Å; S84-V97 WeakPolarHBondContact CB-O 3.21Å; S84-V97 PolarHBondContact O-N 3.01Å; A86-V97 HydrophobicContact CB-CB 4.36Å; A86-V97 HydrophobicContact CB-CG2 3.57Å; V97-K99 HydrophobicContact CG1-CG 4.2Å; V97-K99 PolarHBondContact O-N 3.1Å; V97-M111 HydrophobicContact CG1-SD 4.39Å | ||
| 98 | K | 94.8 | Very high | 94.5 | Very high | 129 Ų | 129 | 56 Ų | 56 | 56% | 0.561 | 32% | 0.32 | S | S | * | . | trans | -81 | 101.1 | 173.6 | -65.9 | -175 | 177.3 | -172.8 | 0 | 109.4 | T96 M111 | T96-K98 PolarHBondContact O-N 3.39Å; K98-M111 VanDerWaalsContact O-CE 3.28Å; K98-M111 WeakPolarHBondContact O-CE 3.25Å | ||
| 99 | K | 96.2 | Very high | 94.9 | Very high | 4 Ų | 4 | 52.8 Ų | 52.8 | 2% | 0.017 | 29% | 0.294 | C | S | . | . | trans | -90.4 | 2.6 | 179.2 | -57.9 | -171 | -168 | 176.3 | 0 | 114.5 | G66 T67 V82 D83 R85 V97 T110 M111 | G66-K99 PolarHBondContact O-NZ 3.17Å; T67-K99 HydrophobicContact CG2-CD 3.58Å; T67-K99 PolarHBondContact OG1-NZ 3.27Å; V82-K99 HydrophobicContact CB-CB 4.14Å; V82-K99 HydrophobicContact CG2-CB 3.97Å; D83-K99 WeakPolarHBondContact O-CD 3.35Å; D83-K99 IonicContact OD1-NZ 3.61Å; D83-K99 PolarHBondContact OD1-NZ 3.28Å; D83-K99 IonicContact OD2-NZ 2.66Å; D83-K99 PolarHBondContact OD2-NZ 3.15Å; R85-K99 WeakPolarHBondContact O-CE 3.43Å; R85-K99 PolarHBondContact O-NZ 2.87Å; V97-K99 HydrophobicContact CG1-CG 4.2Å; V97-K99 PolarHBondContact O-N 3.1Å; K99-T110 CarbonylContact O-C 3.17Å; K99-T110 WeakPolarHBondContact O-CA 3.35Å; K99-M111 HydrophobicContact CB-CB 4.13Å; K99-M111 WeakPolarHBondContact O-CB 3.34Å; K99-M111 PolarHBondContact O-N 2.76Å | ||
| 100 | V | 97.3 | Very high | 95.4 | Very high | 7 Ų | 7 | 51.6 Ų | 51.6 | 4% | 0.042 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 124.3 | 163.9 | 176.8 | 0 | 0 | 0 | 0 | 107 | V80 V82 L108 G109 Y244 | V80-V100 HydrophobicContact CG1-CG2 3.99Å; V82-V100 HydrophobicContact CB-CG2 4.34Å; V82-V100 HydrophobicContact CG1-CG2 3.66Å; V82-V100 HydrophobicContact CG2-CG2 3.66Å; V100-L108 HydrophobicContact CG1-CB 4.26Å; V100-L108 HydrophobicContact CG1-CD1 4.23Å; V100-L108 HydrophobicContact CG1-CD2 3.84Å; V100-L108 HydrophobicContact CG1-CG 4.34Å; V100-G109 WeakPolarHBondContact CA-O 3.34Å; V100-Y244 HydrophobicContact CB-CD2 4.03Å; V100-Y244 HydrophobicContact CB-CE2 3.63Å; V100-Y244 HydrophobicContact CG1-CD2 3.99Å; V100-Y244 HydrophobicContact CG1-CE1 4.44Å; V100-Y244 HydrophobicContact CG1-CE2 3.87Å; V100-Y244 HydrophobicContact CG1-CG 4.33Å; V100-Y244 HydrophobicContact CG2-CD2 3.75Å; V100-Y244 HydrophobicContact CG2-CE2 3.72Å |
| 101 | I | 96.6 | Very high | 95.7 | Very high | 30 Ų | 30 | 46.5 Ų | 46.5 | 15% | 0.154 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 123.3 | 175.4 | -62.9 | 164.8 | 0 | 0 | 0 | 107.4 | I103 G109 M111 E122 | I101-I103 PolarHBondContact O-N 2.86Å; I101-I103 VanDerWaalsContact O-N 3.1Å; I101-G109 PolarHBondContact N-O 3.01Å; I101-G109 PolarHBondContact O-N 3.32Å; I101-M111 HydrophobicContact CD1-CB 4.46Å; I101-M111 HydrophobicContact CD1-CE 3.9Å; I101-M111 HydrophobicContact CG1-CE 4.04Å; I101-E122 WeakPolarHBondContact CB-OE2 3.48Å; I101-E122 HydrophobicContact CD1-CB 4.04Å; I101-E122 HydrophobicContact CD1-CG 4.31Å; I101-E122 WeakPolarHBondContact CD1-OE2 3.47Å; I101-E122 HydrophobicContact CG2-CB 4.18Å |
| 102 | E | 96.8 | Very high | 95.8 | Very high | 97 Ų | 97 | 38.8 Ų | 38.8 | 45% | 0.453 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 91.1 | 177 | -61.5 | 168.5 | -162.3 | 0 | 0 | 108.2 | L108 W251 | E102-L108 HydrophobicContact CG-CD2 4.24Å; E102-W251 HydrophobicContact CB-CH2 4.3Å; E102-W251 HydrophobicContact CB-CZ2 3.75Å; E102-W251 HydrophobicContact CG-CH2 3.56Å; E102-W251 HydrophobicContact CG-CZ2 3.48Å; E102-W251 VanDerWaalsContact CG-CZ2 3.48Å; E102-W251 HydrophobicContact CG-CZ3 4.38Å; E102-W251 WeakPolarHBondContact OE2-CH2 3.28Å |
| 103 | I | 95.6 | Very high | 95.6 | Very high | 8 Ų | 8 | 36.9 Ų | 36.9 | 4% | 0.041 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | -52.1 | -177.5 | -62.9 | 166.5 | 0 | 0 | 0 | 109.4 | I101 L107 L125 A126 | I101-I103 PolarHBondContact O-N 2.86Å; I101-I103 VanDerWaalsContact O-N 3.1Å; I103-L107 HydrophobicContact CB-CB 4.05Å; I103-L107 HydrophobicContact CG2-CB 4.27Å; I103-L107 PolarHBondContact N-O 3.45Å; I103-L125 HydrophobicContact CD1-CD2 4.02Å; I103-A126 HydrophobicContact CG2-CB 3.73Å; I103-A126 VanDerWaalsContact O-CB 3.3Å; I103-A126 WeakPolarHBondContact O-CB 3.09Å |
| 104 | N | 94.6 | Very high | 95.6 | Very high | 23 Ų | 23 | 34.4 Ų | 34.4 | 12% | 0.123 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 168.9 | 177.9 | -82.3 | -21.2 | 0 | 0 | 0 | 108.6 | Y106 L107 C129 W251 | N104-Y106 HydrophobicContact CB-CD1 4.08Å; N104-Y106 HydrophobicContact CB-CE1 3.81Å; N104-Y106 PolarHBondContact ND2-OH 3.07Å; N104-Y106 PolarHBondContact O-N 2.91Å; N104-L107 HydrophobicContact CB-CB 4.32Å; N104-L107 PolarHBondContact N-O 2.91Å; N104-L107 PolarHBondContact O-N 2.92Å; N104-L107 VanDerWaalsContact O-N 3.15Å; N104-C129 WeakPolarHBondContact ND2-CB 3.43Å; N104-W251 PolarHBondContact O-NE1 2.84Å |
| 105 | P | 95 | Very high | 95.4 | Very high | 98 Ų | 98 | 35.1 Ų | 35.1 | 64% | 0.636 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -8.2 | 176.1 | -25.8 | 35.6 | 0 | 0 | 0 | 116 | G250 W251 | P105-G250 WeakPolarHBondContact O-CA 3.47Å; P105-W251 VanDerWaalsContact C-CD1 3.43Å; P105-W251 VanDerWaalsContact O-CD1 3.23Å; P105-W251 PolarHBondContact O-N 2.87Å |
| 106 | Y | 95.5 | Very high | 95.3 | Very high | 14 Ų | 14 | 34 Ų | 34 | 6% | 0.055 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -129.1 | 0.1 | -178.9 | 59.2 | -89.7 | 0 | 0 | 0 | 114 | N104 R139 I140 G169 | N104-Y106 HydrophobicContact CB-CD1 4.08Å; N104-Y106 HydrophobicContact CB-CE1 3.81Å; N104-Y106 PolarHBondContact ND2-OH 3.07Å; N104-Y106 PolarHBondContact O-N 2.91Å; Y106-R139 HydrophobicContact CE1-CB 4.49Å; Y106-R139 HydrophobicContact CE1-CG 4.14Å; Y106-R139 HydrophobicContact CE2-CB 4.23Å; Y106-I140 HydrophobicContact CE2-CG2 4.22Å; Y106-G169 WeakPolarHBondContact O-CA 3.38Å |
| 107 | L | 97.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 132 | 178.1 | -72.7 | 169 | 0 | 0 | 0 | 110.1 | I103 N104 I140 V142 A145 V167 C168 | I103-L107 HydrophobicContact CB-CB 4.05Å; I103-L107 HydrophobicContact CG2-CB 4.27Å; I103-L107 PolarHBondContact N-O 3.45Å; N104-L107 HydrophobicContact CB-CB 4.32Å; N104-L107 PolarHBondContact N-O 2.91Å; N104-L107 PolarHBondContact O-N 2.92Å; N104-L107 VanDerWaalsContact O-N 3.15Å; L107-I140 HydrophobicContact CD1-CG2 3.9Å; L107-V142 HydrophobicContact CD2-CB 4.34Å; L107-V142 HydrophobicContact CD2-CG1 4.29Å; L107-V142 HydrophobicContact CD2-CG2 3.81Å; L107-A145 HydrophobicContact CD1-CB 4.04Å; L107-V167 HydrophobicContact CD2-CG1 4.35Å; L107-C168 WeakPolarHBondContact CA-O 3.43Å |
| 108 | L | 98.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 142.3 | 171.4 | -66.4 | -179.9 | 0 | 0 | 0 | 109.9 | V80 V100 E102 C168 Y244 V246 W251 | V80-L108 HydrophobicContact CG2-CD1 4.45Å; V100-L108 HydrophobicContact CG1-CB 4.26Å; V100-L108 HydrophobicContact CG1-CD1 4.23Å; V100-L108 HydrophobicContact CG1-CD2 3.84Å; V100-L108 HydrophobicContact CG1-CG 4.34Å; E102-L108 HydrophobicContact CG-CD2 4.24Å; L108-C168 HydrophobicContact CB-CB 4.39Å; L108-C168 PolarHBondContact N-O 3.27Å; L108-C168 PolarHBondContact O-N 3.24Å; L108-Y244 HydrophobicContact CD1-CD1 4.05Å; L108-Y244 HydrophobicContact CD1-CG 4.01Å; L108-V246 HydrophobicContact CD1-CG2 3.81Å; L108-V246 HydrophobicContact CG-CG2 4.43Å; L108-W251 HydrophobicContact CD1-CB 3.88Å; L108-W251 HydrophobicContact CD1-CD2 4.46Å; L108-W251 HydrophobicContact CD1-CG 3.99Å; L108-W251 HydrophobicContact CD2-CD2 3.72Å; L108-W251 HydrophobicContact CD2-CE3 4.39Å; L108-W251 HydrophobicContact CD2-CG 3.72Å; L108-W251 HydrophobicContact CD2-CZ2 4.43Å; L108-W251 HydrophobicContact CG-CB 4.12Å; L108-W251 HydrophobicContact CG-CD2 4.31Å; L108-W251 HydrophobicContact CG-CG 3.81Å |
| 109 | G | 97.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 153.4 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | V100 I101 E122 M166 | V100-G109 WeakPolarHBondContact CA-O 3.34Å; I101-G109 PolarHBondContact N-O 3.01Å; I101-G109 PolarHBondContact O-N 3.32Å; G109-E122 VanDerWaalsContact CA-OE2 3.28Å; G109-E122 WeakPolarHBondContact CA-OE2 3.46Å; G109-M166 WeakPolarHBondContact CA-O 3.35Å |
| 110 | T | 97.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 136.9 | 178.2 | 66 | 0 | 0 | 0 | 0 | 111.6 | V80 V82 K99 T165 M166 | V80-T110 HydrophobicContact CG1-CG2 3.61Å; V82-T110 HydrophobicContact CG1-CG2 4.44Å; K99-T110 CarbonylContact O-C 3.17Å; K99-T110 WeakPolarHBondContact O-CA 3.35Å; T110-T165 PolarHBondContact N-OG1 2.8Å; T110-T165 VanDerWaalsContact O-CA 3.25Å; T110-T165 WeakPolarHBondContact O-CA 3.21Å; T110-T165 WeakPolarHBondContact O-CB 3.4Å; T110-T165 PolarHBondContact O-OG1 2.86Å; T110-M166 HydrophobicContact CG2-CB 4.2Å; T110-M166 HydrophobicContact CG2-CE 3.85Å; T110-M166 PolarHBondContact N-O 3.1Å; T110-M166 WeakPolarHBondContact OG1-CB 3.46Å; T110-M166 WeakPolarHBondContact OG1-CE 3.31Å; T110-M166 PolarHBondContact OG1-N 2.98Å |
| 111 | M | 95.6 | Very high | 95.3 | Very high | 15 Ų | 15 | 32.3 Ų | 32.3 | 7% | 0.074 | 20% | 0.195 | C | C | . | . | trans | -93.6 | 106.6 | -179.4 | -177.2 | -172.3 | -42.9 | 0 | 0 | 110.4 | V97 K98 K99 I101 A115 C118 S119 | V97-M111 HydrophobicContact CG1-SD 4.39Å; K98-M111 VanDerWaalsContact O-CE 3.28Å; K98-M111 WeakPolarHBondContact O-CE 3.25Å; K99-M111 HydrophobicContact CB-CB 4.13Å; K99-M111 WeakPolarHBondContact O-CB 3.34Å; K99-M111 PolarHBondContact O-N 2.76Å; I101-M111 HydrophobicContact CD1-CB 4.46Å; I101-M111 HydrophobicContact CD1-CE 3.9Å; I101-M111 HydrophobicContact CG1-CE 4.04Å; M111-A115 HydrophobicContact SD-CB 3.89Å; M111-C118 HydrophobicContact CB-CB 4.12Å; M111-C118 HydrophobicContact CG-CB 3.62Å; M111-S119 WeakPolarHBondContact CE-OG 3.19Å | ||
| 112 | A | 93.4 | Very high | 95.3 | Very high | 3 Ų | 3 | 30.9 Ų | 30.9 | 3% | 0.025 | 19% | 0.188 | C | C | . | . | trans | -137.1 | 136.2 | 162.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | T67 T69 C118 G164 V194 | T67-A112 HydrophobicContact CG2-CB 4.09Å; T69-A112 HydrophobicContact CG2-CB 4.44Å; A112-C118 PolarHBondContact O-SG 3.45Å; A112-C118 VanDerWaalsContact O-SG 3.32Å; A112-G164 WeakPolarHBondContact CB-O 3.49Å; A112-G164 PolarHBondContact O-N 2.85Å; A112-V194 HydrophobicContact CB-CB 4.25Å; A112-V194 HydrophobicContact CB-CG1 3.78Å | ||
| 113 | G | 91.2 | Very high | 95.3 | Very high | 22 Ų | 22 | 35.8 Ų | 35.8 | 23% | 0.227 | 20% | 0.202 | C | C | . | . | B | Isolated β-bridge | trans | 115.7 | -149.5 | -167.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | A115 | G113-A115 PolarHBondContact O-N 3.14Å |
| 114 | G | 92.3 | Very high | 95.4 | Very high | 9 Ų | 9 | 37.4 Ų | 37.4 | 9% | 0.093 | 21% | 0.211 | C | C | . | . | trans | -64.3 | 118.2 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | A116 D117 C118 S162 | G114-A116 PolarHBondContact O-N 3.32Å; G114-D117 PolarHBondContact O-N 3.34Å; G114-C118 PolarHBondContact O-N 3.45Å; G114-C118 PolarHBondContact O-SG 2.89Å; G114-S162 PolarHBondContact N-O 3.37Å | ||
| 115 | A | 91.7 | Very high | 95.6 | Very high | 54 Ų | 54 | 36.3 Ų | 36.3 | 45% | 0.446 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -59.2 | -37.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | M111 G113 S119 | M111-A115 HydrophobicContact SD-CB 3.89Å; G113-A115 PolarHBondContact O-N 3.14Å; A115-S119 VanDerWaalsContact O-CB 3.25Å; A115-S119 WeakPolarHBondContact O-CB 3.39Å; A115-S119 PolarHBondContact O-N 3.43Å; A115-S119 VanDerWaalsContact O-N 3.1Å; A115-S119 PolarHBondContact O-OG 3.4Å |
| 116 | A | 93.4 | Very high | 95.7 | Very high | 73 Ų | 73 | 32.6 Ų | 32.6 | 60% | 0.603 | 18% | 0.183 | S | C | * | . | H | α-helix | trans | -67.3 | -45.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | G114 S119 F120 | G114-A116 PolarHBondContact O-N 3.32Å; A116-S119 PolarHBondContact O-N 3.27Å; A116-F120 VanDerWaalsContact O-CB 3.26Å; A116-F120 WeakPolarHBondContact O-CB 3.29Å; A116-F120 PolarHBondContact O-N 3.34Å |
| 117 | D | 94.6 | Very high | 95.8 | Very high | 34 Ų | 34 | 39.5 Ų | 39.5 | 18% | 0.182 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.3 | -52.5 | -179.5 | -63.8 | -18.7 | 0 | 0 | 0 | 110.8 | G114 S119 F120 W121 S162 M163 | G114-D117 PolarHBondContact O-N 3.34Å; D117-S119 PolarHBondContact O-N 2.88Å; D117-F120 PolarHBondContact O-N 3.21Å; D117-W121 WeakPolarHBondContact O-CB 3.38Å; D117-W121 PolarHBondContact O-N 2.85Å; D117-S162 PolarHBondContact OD2-N 3.16Å; D117-M163 WeakPolarHBondContact O-CE 3.33Å |
| 118 | C | 95 | Very high | 95.8 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -56.8 | -51.1 | 177.7 | -63 | 0 | 0 | 0 | 0 | 111.3 | M111 A112 G114 F120 E122 | M111-C118 HydrophobicContact CB-CB 4.12Å; M111-C118 HydrophobicContact CG-CB 3.62Å; A112-C118 PolarHBondContact O-SG 3.45Å; A112-C118 VanDerWaalsContact O-SG 3.32Å; G114-C118 PolarHBondContact O-N 3.45Å; G114-C118 PolarHBondContact O-SG 2.89Å; C118-F120 VanDerWaalsContact C-N 3.33Å; C118-F120 PolarHBondContact O-N 3.01Å; C118-E122 VanDerWaalsContact O-CB 3.24Å; C118-E122 WeakPolarHBondContact O-CB 3.12Å; C118-E122 VanDerWaalsContact O-CG 3.28Å; C118-E122 WeakPolarHBondContact O-CG 3.35Å; C118-E122 PolarHBondContact O-N 3.17Å |
| 119 | S | 95.6 | Very high | 95.8 | Very high | 51 Ų | 51 | 42.7 Ų | 42.7 | 36% | 0.357 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -61.3 | -40.4 | -178.5 | -59.6 | 0 | 0 | 0 | 0 | 112.7 | M111 A115 A116 D117 R123 | M111-S119 WeakPolarHBondContact CE-OG 3.19Å; A115-S119 VanDerWaalsContact O-CB 3.25Å; A115-S119 WeakPolarHBondContact O-CB 3.39Å; A115-S119 PolarHBondContact O-N 3.43Å; A115-S119 VanDerWaalsContact O-N 3.1Å; A115-S119 PolarHBondContact O-OG 3.4Å; A116-S119 PolarHBondContact O-N 3.27Å; D117-S119 PolarHBondContact O-N 2.88Å; S119-R123 WeakPolarHBondContact O-CB 3.36Å; S119-R123 PolarHBondContact O-N 2.89Å |
| 120 | F | 97.1 | Very high | 95.8 | Very high | 126 Ų | 126 | 48.6 Ų | 48.6 | 55% | 0.553 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -71.4 | -53 | -178.1 | 177.6 | -98 | 0 | 0 | 0 | 111.9 | A116 D117 C118 R123 L124 | A116-F120 VanDerWaalsContact O-CB 3.26Å; A116-F120 WeakPolarHBondContact O-CB 3.29Å; A116-F120 PolarHBondContact O-N 3.34Å; D117-F120 PolarHBondContact O-N 3.21Å; C118-F120 VanDerWaalsContact C-N 3.33Å; C118-F120 PolarHBondContact O-N 3.01Å; F120-R123 PolarHBondContact O-N 3.12Å; F120-L124 PolarHBondContact O-N 3.18Å |
| 121 | W | 97 | Very high | 95.8 | Very high | 21 Ų | 21 | 50.4 Ų | 50.4 | 8% | 0.08 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -71.1 | -34.9 | -174.4 | -72.7 | 113.3 | 0 | 0 | 0 | 112.6 | D117 L124 L125 L149 M152 V153 Y156 L161 M163 | D117-W121 WeakPolarHBondContact O-CB 3.38Å; D117-W121 PolarHBondContact O-N 2.85Å; W121-L124 HydrophobicContact CE3-CD2 3.72Å; W121-L124 HydrophobicContact CZ3-CD2 3.55Å; W121-L124 PolarHBondContact O-N 2.93Å; W121-L125 WeakPolarHBondContact O-CB 3.39Å; W121-L125 PolarHBondContact O-N 3.27Å; W121-L149 HydrophobicContact CB-CD1 4.12Å; W121-M152 HydrophobicContact CE3-CB 4.12Å; W121-M152 HydrophobicContact CZ3-CB 3.98Å; W121-V153 HydrophobicContact CG-CG2 4.47Å; W121-Y156 AromaticContact CH2-CD2 3.69Å; W121-Y156 HydrophobicContact CH2-CD2 3.69Å; W121-Y156 AromaticContact CH2-CE2 3.37Å; W121-Y156 HydrophobicContact CH2-CE2 3.37Å; W121-Y156 AromaticContact CH2-CZ 3.92Å; W121-Y156 AromaticContact CZ2-CD2 3.79Å; W121-Y156 HydrophobicContact CZ2-CD2 3.79Å; W121-Y156 AromaticContact CZ2-CE2 3.85Å; W121-Y156 HydrophobicContact CZ2-CE2 3.85Å; W121-Y156 HydrophobicContact CZ2-CG 4.2Å; W121-Y156 HydrophobicContact CZ3-CE2 4.43Å; W121-L161 HydrophobicContact CZ2-CD1 4.38Å; W121-M163 HydrophobicContact CB-CE 3.39Å; W121-M163 HydrophobicContact CG-CE 3.83Å |
| 122 | E | 97 | Very high | 95.9 | Very high | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -70.4 | -34.5 | 174.1 | -68.1 | -176.9 | -153.9 | 0 | 0 | 111.9 | I101 G109 C118 L125 A126 T165 | I101-E122 WeakPolarHBondContact CB-OE2 3.48Å; I101-E122 HydrophobicContact CD1-CB 4.04Å; I101-E122 HydrophobicContact CD1-CG 4.31Å; I101-E122 WeakPolarHBondContact CD1-OE2 3.47Å; I101-E122 HydrophobicContact CG2-CB 4.18Å; G109-E122 VanDerWaalsContact CA-OE2 3.28Å; G109-E122 WeakPolarHBondContact CA-OE2 3.46Å; C118-E122 VanDerWaalsContact O-CB 3.24Å; C118-E122 WeakPolarHBondContact O-CB 3.12Å; C118-E122 VanDerWaalsContact O-CG 3.28Å; C118-E122 WeakPolarHBondContact O-CG 3.35Å; C118-E122 PolarHBondContact O-N 3.17Å; E122-L125 WeakPolarHBondContact O-CB 3.47Å; E122-L125 PolarHBondContact O-N 3.17Å; E122-A126 PolarHBondContact O-N 2.9Å; E122-T165 WeakPolarHBondContact OE1-CB 3.41Å; E122-T165 PolarHBondContact OE1-OG1 3.33Å |
| 123 | R | 97.4 | Very high | 96 | Very high | 199 Ų | 199 | 55.7 Ų | 55.7 | 75% | 0.751 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -67 | -37.2 | 171.2 | -173.9 | 173.3 | -177.3 | 169.6 | 0.5 | 112 | S119 F120 L125 A126 R127 | S119-R123 WeakPolarHBondContact O-CB 3.36Å; S119-R123 PolarHBondContact O-N 2.89Å; F120-R123 PolarHBondContact O-N 3.12Å; R123-L125 VanDerWaalsContact C-N 3.34Å; R123-A126 WeakPolarHBondContact O-CB 3.29Å; R123-A126 PolarHBondContact O-N 3Å; R123-R127 PolarHBondContact O-N 3.02Å; R123-R127 VanDerWaalsContact O-N 3.15Å |
| 124 | L | 97.7 | Very high | 96.3 | Very high | 42 Ų | 42 | 60 Ų | 60 | 22% | 0.22 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65.3 | -40 | 172.5 | -177.3 | 62 | 0 | 0 | 0 | 111.2 | F120 W121 R127 Q128 M152 | F120-L124 PolarHBondContact O-N 3.18Å; W121-L124 HydrophobicContact CE3-CD2 3.72Å; W121-L124 HydrophobicContact CZ3-CD2 3.55Å; W121-L124 PolarHBondContact O-N 2.93Å; L124-R127 WeakPolarHBondContact O-CB 3.47Å; L124-R127 PolarHBondContact O-N 2.89Å; L124-Q128 PolarHBondContact O-N 2.84Å; L124-M152 HydrophobicContact CD2-SD 3.78Å; L124-M152 HydrophobicContact CG-SD 3.99Å |
| 125 | L | 97.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60 | -45.1 | 173.2 | 177.9 | 66.7 | 0 | 0 | 0 | 111.3 | I103 W121 E122 R123 R127 Q128 C129 A145 L148 L149 M152 | I103-L125 HydrophobicContact CD1-CD2 4.02Å; W121-L125 WeakPolarHBondContact O-CB 3.39Å; W121-L125 PolarHBondContact O-N 3.27Å; E122-L125 WeakPolarHBondContact O-CB 3.47Å; E122-L125 PolarHBondContact O-N 3.17Å; R123-L125 VanDerWaalsContact C-N 3.34Å; L125-R127 VanDerWaalsContact C-N 3.3Å; L125-R127 PolarHBondContact O-N 3.01Å; L125-Q128 PolarHBondContact O-N 3.09Å; L125-C129 WeakPolarHBondContact O-CB 3.49Å; L125-C129 PolarHBondContact O-N 3.06Å; L125-C129 PolarHBondContact O-SG 3.28Å; L125-A145 WeakPolarHBondContact CD1-O 3.43Å; L125-L148 HydrophobicContact CD1-CB 4.08Å; L125-L149 HydrophobicContact CB-CD1 4.43Å; L125-L149 HydrophobicContact CD1-CB 4.27Å; L125-L149 HydrophobicContact CD2-CB 4.08Å; L125-L149 HydrophobicContact CD2-CD2 4.19Å; L125-L149 HydrophobicContact CD2-CG 4.5Å; L125-M152 HydrophobicContact CB-CE 4.06Å; L125-M152 HydrophobicContact CD1-CE 4.13Å |
| 126 | A | 97.4 | Very high | 96.8 | Very high | 20 Ų | 20 | 70.7 Ų | 70.7 | 17% | 0.165 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -55.3 | -45.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | I103 E122 R123 Q128 C129 R130 | I103-A126 HydrophobicContact CG2-CB 3.73Å; I103-A126 VanDerWaalsContact O-CB 3.3Å; I103-A126 WeakPolarHBondContact O-CB 3.09Å; E122-A126 PolarHBondContact O-N 2.9Å; R123-A126 WeakPolarHBondContact O-CB 3.29Å; R123-A126 PolarHBondContact O-N 3Å; A126-Q128 PolarHBondContact O-N 3.24Å; A126-C129 PolarHBondContact O-N 3.43Å; A126-R130 PolarHBondContact O-N 3.14Å |
| 127 | R | 97.8 | Very high | 97 | Very high | 159 Ų | 159 | 76.6 Ų | 76.6 | 60% | 0.6 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -57.7 | -46.4 | 174.2 | 178 | -176.3 | 172.6 | -123.5 | 0.9 | 111.7 | R123 L124 L125 R130 V131 | R123-R127 PolarHBondContact O-N 3.02Å; R123-R127 VanDerWaalsContact O-N 3.15Å; L124-R127 WeakPolarHBondContact O-CB 3.47Å; L124-R127 PolarHBondContact O-N 2.89Å; L125-R127 VanDerWaalsContact C-N 3.3Å; L125-R127 PolarHBondContact O-N 3.01Å; R127-R130 PolarHBondContact O-N 2.85Å; R127-V131 WeakPolarHBondContact O-CG2 3.23Å; R127-V131 PolarHBondContact O-N 2.85Å |
| 128 | Q | 97.7 | Very high | 97 | Very high | 67 Ų | 67 | 79 Ų | 79 | 31% | 0.313 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -69.7 | -36.6 | -179.5 | -61.9 | -56.8 | 13 | 0 | 0 | 113.2 | L124 L125 A126 R130 V131 Y132 | L124-Q128 PolarHBondContact O-N 2.84Å; L125-Q128 PolarHBondContact O-N 3.09Å; A126-Q128 PolarHBondContact O-N 3.24Å; Q128-R130 VanDerWaalsContact C-N 3.28Å; Q128-R130 PolarHBondContact O-N 2.86Å; Q128-V131 PolarHBondContact O-N 3.16Å; Q128-Y132 WeakPolarHBondContact O-CB 3.31Å; Q128-Y132 PolarHBondContact O-N 3.43Å |
| 129 | C | 97.1 | Very high | 97 | Very high | 0 Ų | 0 | 85.5 Ų | 85.5 | 0% | 0 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -60.1 | -41.4 | 172.5 | -64.5 | 0 | 0 | 0 | 0 | 110.7 | N104 L125 A126 Y132 E133 I140 | N104-C129 WeakPolarHBondContact ND2-CB 3.43Å; L125-C129 WeakPolarHBondContact O-CB 3.49Å; L125-C129 PolarHBondContact O-N 3.06Å; L125-C129 PolarHBondContact O-SG 3.28Å; A126-C129 PolarHBondContact O-N 3.43Å; C129-Y132 WeakPolarHBondContact O-CB 3.15Å; C129-Y132 PolarHBondContact O-N 2.95Å; C129-E133 PolarHBondContact O-N 3.49Å; C129-I140 HydrophobicContact CB-CG2 3.88Å |
| 130 | R | 97 | Very high | 97 | Very high | 124 Ų | 124 | 83.2 Ų | 83.2 | 47% | 0.468 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -66.9 | -41.3 | 177.2 | -174.4 | 56.8 | 176.7 | 170 | 0 | 112.9 | A126 R127 Q128 Y132 E133 L134 | A126-R130 PolarHBondContact O-N 3.14Å; R127-R130 PolarHBondContact O-N 2.85Å; Q128-R130 VanDerWaalsContact C-N 3.28Å; Q128-R130 PolarHBondContact O-N 2.86Å; R130-Y132 VanDerWaalsContact C-N 3.34Å; R130-E133 IonicContact CZ-OE2 2.91Å; R130-E133 VanDerWaalsContact NH1-CD 3.27Å; R130-E133 IonicContact NH1-OE1 2.73Å; R130-E133 IonicContact NH1-OE2 3.06Å; R130-E133 PolarHBondContact NH1-OE2 2.91Å; R130-E133 PolarHBondContact O-N 3.35Å; R130-L134 WeakPolarHBondContact O-CG 3.4Å; R130-L134 PolarHBondContact O-N 3.4Å; R130-L134 VanDerWaalsContact O-N 3.1Å |
| 131 | V | 97.8 | Very high | 97 | Very high | 39 Ų | 39 | 78.7 Ų | 78.7 | 24% | 0.236 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64.1 | -41.1 | 175.5 | 171.5 | 0 | 0 | 0 | 0 | 111.1 | R127 Q128 E133 L134 R135 | R127-V131 WeakPolarHBondContact O-CG2 3.23Å; R127-V131 PolarHBondContact O-N 2.85Å; Q128-V131 PolarHBondContact O-N 3.16Å; V131-E133 VanDerWaalsContact C-N 3.33Å; V131-E133 PolarHBondContact O-N 3.01Å; V131-L134 PolarHBondContact O-N 3.32Å; V131-R135 HydrophobicContact CG1-CG 4.47Å; V131-R135 WeakPolarHBondContact O-CG 3.25Å; V131-R135 PolarHBondContact O-N 3.01Å; V131-R135 VanDerWaalsContact O-N 3.09Å |
| 132 | Y | 97.8 | Very high | 97 | Very high | 83 Ų | 83 | 77.9 Ų | 77.9 | 33% | 0.325 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -58.8 | -46.4 | 174.9 | -179.8 | -84.9 | 0 | 0 | 0 | 111.4 | Q128 C129 R130 L134 R135 N136 I140 | Q128-Y132 WeakPolarHBondContact O-CB 3.31Å; Q128-Y132 PolarHBondContact O-N 3.43Å; C129-Y132 WeakPolarHBondContact O-CB 3.15Å; C129-Y132 PolarHBondContact O-N 2.95Å; R130-Y132 VanDerWaalsContact C-N 3.34Å; Y132-L134 VanDerWaalsContact C-N 3.35Å; Y132-L134 PolarHBondContact O-N 3.36Å; Y132-R135 PolarHBondContact O-N 3.09Å; Y132-N136 WeakPolarHBondContact CD2-ND2 3.42Å; Y132-N136 HydrophobicContact CE1-CB 4.38Å; Y132-N136 WeakPolarHBondContact CE2-ND2 3.5Å; Y132-N136 VanDerWaalsContact CZ-ND2 3.33Å; Y132-N136 PolarHBondContact O-N 3.43Å; Y132-N136 PolarHBondContact O-ND2 2.95Å; Y132-I140 HydrophobicContact CD1-CB 3.65Å; Y132-I140 HydrophobicContact CD1-CD1 4.42Å; Y132-I140 HydrophobicContact CD1-CG1 3.99Å; Y132-I140 HydrophobicContact CD2-CD1 4.5Å; Y132-I140 HydrophobicContact CE1-CB 3.99Å; Y132-I140 HydrophobicContact CE1-CG1 4.14Å; Y132-I140 HydrophobicContact CG-CB 4.26Å; Y132-I140 HydrophobicContact CG-CD1 4.2Å; Y132-I140 HydrophobicContact CG-CG1 4.26Å |
| 133 | E | 96.1 | Very high | 97 | Very high | 45 Ų | 45 | 79.3 Ų | 79.3 | 21% | 0.21 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -60.2 | -43.4 | 179.3 | -171.8 | -176 | -172.1 | 0 | 0 | 112.2 | C129 R130 V131 K137 E138 | C129-E133 PolarHBondContact O-N 3.49Å; R130-E133 IonicContact CZ-OE2 2.91Å; R130-E133 VanDerWaalsContact NH1-CD 3.27Å; R130-E133 IonicContact NH1-OE1 2.73Å; R130-E133 IonicContact NH1-OE2 3.06Å; R130-E133 PolarHBondContact NH1-OE2 2.91Å; R130-E133 PolarHBondContact O-N 3.35Å; V131-E133 VanDerWaalsContact C-N 3.33Å; V131-E133 PolarHBondContact O-N 3.01Å; E133-K137 WeakPolarHBondContact O-CA 3.4Å; E133-K137 PolarHBondContact O-N 3.24Å; E133-E138 WeakPolarHBondContact CA-O 3.47Å |
| 134 | L | 97.4 | Very high | 97 | Very high | 114 Ų | 114 | 71.3 Ų | 71.3 | 60% | 0.597 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -68 | -35.8 | 178.7 | -68.5 | 173.3 | 0 | 0 | 0 | 113.1 | R130 V131 Y132 | R130-L134 WeakPolarHBondContact O-CG 3.4Å; R130-L134 PolarHBondContact O-N 3.4Å; R130-L134 VanDerWaalsContact O-N 3.1Å; V131-L134 PolarHBondContact O-N 3.32Å; Y132-L134 VanDerWaalsContact C-N 3.35Å; Y132-L134 PolarHBondContact O-N 3.36Å |
| 135 | R | 97.9 | Very high | 97 | Very high | 199 Ų | 199 | 69.3 Ų | 69.3 | 75% | 0.751 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -72.5 | -44.7 | -179.9 | -74.4 | 175.7 | 177.4 | 173.6 | 0.1 | 112.3 | V131 Y132 | V131-R135 HydrophobicContact CG1-CG 4.47Å; V131-R135 WeakPolarHBondContact O-CG 3.25Å; V131-R135 PolarHBondContact O-N 3.01Å; V131-R135 VanDerWaalsContact O-N 3.09Å; Y132-R135 PolarHBondContact O-N 3.09Å |
| 136 | N | 96.9 | Very high | 97 | Very high | 88 Ų | 88 | 69.3 Ų | 69.3 | 47% | 0.471 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -96.2 | -9.9 | -172.7 | -59.2 | -58 | 0 | 0 | 0 | 113.1 | Y132 E138 | Y132-N136 WeakPolarHBondContact CD2-ND2 3.42Å; Y132-N136 HydrophobicContact CE1-CB 4.38Å; Y132-N136 WeakPolarHBondContact CE2-ND2 3.5Å; Y132-N136 VanDerWaalsContact CZ-ND2 3.33Å; Y132-N136 PolarHBondContact O-N 3.43Å; Y132-N136 PolarHBondContact O-ND2 2.95Å; N136-E138 HydrophobicContact CB-CB 4.45Å; N136-E138 PolarHBondContact O-N 3.29Å |
| 137 | K | 96.7 | Very high | 97 | Very high | 196 Ų | 196 | 73.2 Ų | 73.2 | 85% | 0.852 | 33% | 0.331 | S | S | * | . | S | Bend | trans | 55 | 28.2 | -171.2 | -56 | 179.1 | -179.9 | 178 | 0 | 112.6 | E133 | E133-K137 WeakPolarHBondContact O-CA 3.4Å; E133-K137 PolarHBondContact O-N 3.24Å |
| 138 | E | 95.2 | Very high | 97 | Very high | 85 Ų | 85 | 68.9 Ų | 68.9 | 40% | 0.397 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -141.5 | 141.8 | -177 | -169.5 | -176.7 | 128.6 | 0 | 0 | 109.8 | E133 N136 K172 | E133-E138 WeakPolarHBondContact CA-O 3.47Å; N136-E138 HydrophobicContact CB-CB 4.45Å; N136-E138 PolarHBondContact O-N 3.29Å; E138-K172 WeakPolarHBondContact OE1-CE 3.32Å; E138-K172 IonicContact OE1-NZ 2.76Å; E138-K172 PolarHBondContact OE1-NZ 3.22Å; E138-K172 IonicContact OE2-NZ 3.83Å; E138-K172 PolarHBondContact OE2-NZ 2.79Å |
| 139 | R | 94.3 | Very high | 96.9 | Very high | 136 Ų | 136 | 65.7 Ų | 65.7 | 51% | 0.513 | 31% | 0.305 | S | S | . | . | P | Polyproline II helix | trans | -63.1 | 146 | 175.1 | -62.6 | -179.8 | -176 | 178.6 | 0.7 | 110.6 | Y106 | Y106-R139 HydrophobicContact CE1-CB 4.49Å; Y106-R139 HydrophobicContact CE1-CG 4.14Å; Y106-R139 HydrophobicContact CE2-CB 4.23Å |
| 140 | I | 96.6 | Very high | 96.9 | Very high | 3 Ų | 3 | 65.8 Ų | 65.8 | 2% | 0.015 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -74.2 | 143.2 | 176.5 | -166.1 | 170.6 | 0 | 0 | 0 | 110.7 | Y106 L107 C129 Y132 A144 A145 L148 | Y106-I140 HydrophobicContact CE2-CG2 4.22Å; L107-I140 HydrophobicContact CD1-CG2 3.9Å; C129-I140 HydrophobicContact CB-CG2 3.88Å; Y132-I140 HydrophobicContact CD1-CB 3.65Å; Y132-I140 HydrophobicContact CD1-CD1 4.42Å; Y132-I140 HydrophobicContact CD1-CG1 3.99Å; Y132-I140 HydrophobicContact CD2-CD1 4.5Å; Y132-I140 HydrophobicContact CE1-CB 3.99Å; Y132-I140 HydrophobicContact CE1-CG1 4.14Å; Y132-I140 HydrophobicContact CG-CB 4.26Å; Y132-I140 HydrophobicContact CG-CD1 4.2Å; Y132-I140 HydrophobicContact CG-CG1 4.26Å; I140-A144 HydrophobicContact CD1-CB 4.08Å; I140-A144 HydrophobicContact CG1-CB 3.77Å; I140-A145 HydrophobicContact CD1-CB 4.27Å; I140-A145 HydrophobicContact CG2-CB 4.31Å; I140-L148 HydrophobicContact CD1-CD1 3.61Å |
| 141 | S | 96.8 | Very high | 96.9 | Very high | 32 Ų | 32 | 63.3 Ų | 63.3 | 22% | 0.224 | 30% | 0.301 | C | S | . | . | P | Polyproline II helix | trans | -69.6 | 149.1 | 171.7 | 59.8 | 0 | 0 | 0 | 0 | 112.2 | A143 A144 A145 D171 | S141-A143 PolarHBondContact O-N 2.96Å; S141-A144 PolarHBondContact O-N 3.36Å; S141-A144 VanDerWaalsContact O-N 3.12Å; S141-A144 WeakPolarHBondContact OG-CB 3.5Å; S141-A144 PolarHBondContact OG-N 3.1Å; S141-A145 WeakPolarHBondContact O-CB 3.4Å; S141-A145 PolarHBondContact O-N 2.77Å; S141-D171 WeakPolarHBondContact CA-OD2 3.41Å; S141-D171 WeakPolarHBondContact CB-OD2 3.35Å |
| 142 | V | 96.8 | Very high | 96.8 | Very high | 3 Ų | 3 | 62.8 Ų | 62.8 | 2% | 0.018 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59.8 | -35.3 | 173.6 | -172.2 | 0 | 0 | 0 | 0 | 110.4 | L107 S146 V167 D171 Y178 | L107-V142 HydrophobicContact CD2-CB 4.34Å; L107-V142 HydrophobicContact CD2-CG1 4.29Å; L107-V142 HydrophobicContact CD2-CG2 3.81Å; V142-S146 WeakPolarHBondContact O-CB 3.41Å; V142-S146 PolarHBondContact O-N 2.98Å; V142-S146 PolarHBondContact O-OG 3Å; V142-V167 HydrophobicContact CG1-CG1 4.16Å; V142-D171 HydrophobicContact CG2-CB 4.12Å; V142-Y178 HydrophobicContact CB-CD2 4.49Å; V142-Y178 HydrophobicContact CB-CE2 4.33Å; V142-Y178 HydrophobicContact CG1-CD2 3.71Å; V142-Y178 HydrophobicContact CG1-CE2 4.02Å |
| 143 | A | 97.1 | Very high | 96.7 | Very high | 31 Ų | 31 | 58.8 Ų | 58.8 | 26% | 0.256 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63.8 | -43 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | S141 S146 K147 Y178 R186 | S141-A143 PolarHBondContact O-N 2.96Å; A143-S146 PolarHBondContact O-OG 3.43Å; A143-K147 WeakPolarHBondContact O-CB 3.08Å; A143-K147 PolarHBondContact O-N 2.95Å; A143-Y178 HydrophobicContact CB-CE2 4.29Å; A143-Y178 WeakPolarHBondContact CB-OH 3.47Å; A143-R186 PolarHBondContact O-NH2 3.28Å |
| 144 | A | 97.2 | Very high | 96.7 | Very high | 31 Ų | 31 | 63.4 Ų | 63.4 | 26% | 0.256 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -71.8 | -42.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | I140 S141 S146 K147 L148 | I140-A144 HydrophobicContact CD1-CB 4.08Å; I140-A144 HydrophobicContact CG1-CB 3.77Å; S141-A144 PolarHBondContact O-N 3.36Å; S141-A144 VanDerWaalsContact O-N 3.12Å; S141-A144 WeakPolarHBondContact OG-CB 3.5Å; S141-A144 PolarHBondContact OG-N 3.1Å; A144-S146 PolarHBondContact O-N 2.9Å; A144-K147 PolarHBondContact O-N 2.99Å; A144-L148 WeakPolarHBondContact O-CG 3.4Å; A144-L148 PolarHBondContact O-N 3.46Å |
| 145 | A | 97.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -58.8 | -48.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L107 L125 I140 S141 K147 L148 L149 | L107-A145 HydrophobicContact CD1-CB 4.04Å; L125-A145 WeakPolarHBondContact CD1-O 3.43Å; I140-A145 HydrophobicContact CD1-CB 4.27Å; I140-A145 HydrophobicContact CG2-CB 4.31Å; S141-A145 WeakPolarHBondContact O-CB 3.4Å; S141-A145 PolarHBondContact O-N 2.77Å; A145-K147 VanDerWaalsContact C-N 3.3Å; A145-K147 PolarHBondContact O-N 3.42Å; A145-L148 PolarHBondContact O-N 3.16Å; A145-L149 PolarHBondContact O-N 3.48Å |
| 146 | S | 97.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.3 | -35.7 | 176 | 56.3 | 0 | 0 | 0 | 0 | 112.7 | V142 A143 A144 L149 A150 R186 | V142-S146 WeakPolarHBondContact O-CB 3.41Å; V142-S146 PolarHBondContact O-N 2.98Å; V142-S146 PolarHBondContact O-OG 3Å; A143-S146 PolarHBondContact O-OG 3.43Å; A144-S146 PolarHBondContact O-N 2.9Å; S146-L149 PolarHBondContact O-N 3.11Å; S146-A150 WeakPolarHBondContact O-CB 3.38Å; S146-A150 PolarHBondContact O-N 3.09Å; S146-R186 PolarHBondContact OG-NE 3.36Å; S146-R186 PolarHBondContact OG-NH2 3.15Å |
| 147 | K | 97.7 | Very high | 96.2 | Very high | 103 Ų | 103 | 60.3 Ų | 60.3 | 45% | 0.448 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -71.7 | -38 | 177.5 | -173.1 | 55.6 | 173.9 | 161.6 | 0 | 112.5 | A143 A144 A145 L149 A150 N151 | A143-K147 WeakPolarHBondContact O-CB 3.08Å; A143-K147 PolarHBondContact O-N 2.95Å; A144-K147 PolarHBondContact O-N 2.99Å; A145-K147 VanDerWaalsContact C-N 3.3Å; A145-K147 PolarHBondContact O-N 3.42Å; K147-L149 VanDerWaalsContact C-N 3.33Å; K147-A150 PolarHBondContact O-N 3.05Å; K147-N151 WeakPolarHBondContact CE-OD1 3.41Å; K147-N151 PolarHBondContact NZ-OD1 2.97Å; K147-N151 VanDerWaalsContact NZ-OD1 3.14Å; K147-N151 WeakPolarHBondContact O-CB 3.4Å; K147-N151 PolarHBondContact O-N 3.34Å; K147-N151 PolarHBondContact O-OD1 2.87Å |
| 148 | L | 97.3 | Very high | 95.9 | Very high | 68 Ų | 68 | 54.6 Ų | 54.6 | 36% | 0.356 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.6 | -45.2 | 172.9 | -74 | 176.8 | 0 | 0 | 0 | 110.8 | L125 I140 A144 A145 N151 M152 | L125-L148 HydrophobicContact CD1-CB 4.08Å; I140-L148 HydrophobicContact CD1-CD1 3.61Å; A144-L148 WeakPolarHBondContact O-CG 3.4Å; A144-L148 PolarHBondContact O-N 3.46Å; A145-L148 PolarHBondContact O-N 3.16Å; L148-N151 PolarHBondContact O-N 3.27Å; L148-M152 WeakPolarHBondContact O-CG 3.42Å; L148-M152 PolarHBondContact O-N 3.3Å |
| 149 | L | 96.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.4 | -50.4 | 177.4 | -174.3 | 61.1 | 0 | 0 | 0 | 111.9 | W121 L125 A145 S146 K147 N151 M152 V153 M163 T165 V167 V180 | W121-L149 HydrophobicContact CB-CD1 4.12Å; L125-L149 HydrophobicContact CB-CD1 4.43Å; L125-L149 HydrophobicContact CD1-CB 4.27Å; L125-L149 HydrophobicContact CD2-CB 4.08Å; L125-L149 HydrophobicContact CD2-CD2 4.19Å; L125-L149 HydrophobicContact CD2-CG 4.5Å; A145-L149 PolarHBondContact O-N 3.48Å; S146-L149 PolarHBondContact O-N 3.11Å; K147-L149 VanDerWaalsContact C-N 3.33Å; L149-N151 VanDerWaalsContact C-N 3.26Å; L149-N151 PolarHBondContact O-N 2.99Å; L149-M152 HydrophobicContact CD1-CE 3.98Å; L149-M152 PolarHBondContact O-N 2.94Å; L149-M152 VanDerWaalsContact O-N 3.11Å; L149-V153 HydrophobicContact CD1-CG2 4.09Å; L149-V153 HydrophobicContact CG-CG2 4.38Å; L149-V153 WeakPolarHBondContact O-CG2 3.35Å; L149-V153 PolarHBondContact O-N 3.22Å; L149-M163 HydrophobicContact CD2-SD 4.44Å; L149-T165 HydrophobicContact CD2-CG2 3.44Å; L149-T165 VanDerWaalsContact CD2-CG2 3.44Å; L149-V167 HydrophobicContact CD2-CG2 4.1Å; L149-V180 HydrophobicContact CD2-CB 4.39Å; L149-V180 HydrophobicContact CD2-CG1 4.26Å; L149-V180 HydrophobicContact CG-CG1 4.22Å |
| 150 | A | 97.1 | Very high | 95.6 | Very high | 2 Ų | 2 | 52.8 Ų | 52.8 | 2% | 0.017 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -56.8 | -41.2 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | S146 K147 Y154 V180 R186 | S146-A150 WeakPolarHBondContact O-CB 3.38Å; S146-A150 PolarHBondContact O-N 3.09Å; K147-A150 PolarHBondContact O-N 3.05Å; A150-Y154 WeakPolarHBondContact O-CB 3.5Å; A150-Y154 PolarHBondContact O-N 2.89Å; A150-V180 HydrophobicContact CB-CG1 3.92Å; A150-R186 HydrophobicContact CB-CB 4.18Å |
| 151 | N | 97 | Very high | 95.4 | Very high | 72 Ų | 72 | 54.4 Ų | 54.4 | 39% | 0.385 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -68.1 | -37.7 | 177.9 | -70.1 | -6.1 | 0 | 0 | 0 | 112.8 | K147 L148 L149 Q155 | K147-N151 WeakPolarHBondContact CE-OD1 3.41Å; K147-N151 PolarHBondContact NZ-OD1 2.97Å; K147-N151 VanDerWaalsContact NZ-OD1 3.14Å; K147-N151 WeakPolarHBondContact O-CB 3.4Å; K147-N151 PolarHBondContact O-N 3.34Å; K147-N151 PolarHBondContact O-OD1 2.87Å; L148-N151 PolarHBondContact O-N 3.27Å; L149-N151 VanDerWaalsContact C-N 3.26Å; L149-N151 PolarHBondContact O-N 2.99Å; N151-Q155 WeakPolarHBondContact O-CG 3.32Å |
| 152 | M | 95.3 | Very high | 95.2 | Very high | 27 Ų | 27 | 53.5 Ų | 53.5 | 13% | 0.133 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.7 | -47.7 | 175.7 | -72.8 | -173.9 | -63.7 | 0 | 0 | 110.8 | W121 L124 L125 L148 L149 Q155 Y156 | W121-M152 HydrophobicContact CE3-CB 4.12Å; W121-M152 HydrophobicContact CZ3-CB 3.98Å; L124-M152 HydrophobicContact CD2-SD 3.78Å; L124-M152 HydrophobicContact CG-SD 3.99Å; L125-M152 HydrophobicContact CB-CE 4.06Å; L125-M152 HydrophobicContact CD1-CE 4.13Å; L148-M152 WeakPolarHBondContact O-CG 3.42Å; L148-M152 PolarHBondContact O-N 3.3Å; L149-M152 HydrophobicContact CD1-CE 3.98Å; L149-M152 PolarHBondContact O-N 2.94Å; L149-M152 VanDerWaalsContact O-N 3.11Å; M152-Q155 PolarHBondContact O-N 2.86Å; M152-Y156 WeakPolarHBondContact O-CD2 3.42Å |
| 153 | V | 95 | Very high | 94.9 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -68.6 | -38.1 | -177.8 | 174.8 | 0 | 0 | 0 | 0 | 111.6 | W121 L149 Q155 Y156 L161 M163 | W121-V153 HydrophobicContact CG-CG2 4.47Å; L149-V153 HydrophobicContact CD1-CG2 4.09Å; L149-V153 HydrophobicContact CG-CG2 4.38Å; L149-V153 WeakPolarHBondContact O-CG2 3.35Å; L149-V153 PolarHBondContact O-N 3.22Å; V153-Q155 PolarHBondContact O-N 3.3Å; V153-Y156 PolarHBondContact O-N 3.35Å; V153-L161 HydrophobicContact CG1-CD1 4.28Å; V153-M163 HydrophobicContact CG2-SD 4.03Å |
| 154 | Y | 96.2 | Very high | 94.8 | Very high | 142 Ų | 142 | 52.5 Ų | 52.5 | 56% | 0.557 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -60.8 | -28.4 | 178.9 | -173.3 | -103.3 | 0 | 0 | 0 | 113.6 | A150 Y156 K157 | A150-Y154 WeakPolarHBondContact O-CB 3.5Å; A150-Y154 PolarHBondContact O-N 2.89Å; Y154-Y156 PolarHBondContact O-N 2.98Å; Y154-K157 HydrophobicContact CD2-CB 4.49Å; Y154-K157 HydrophobicContact CD2-CD 4Å; Y154-K157 HydrophobicContact CE2-CD 3.67Å; Y154-K157 VanDerWaalsContact O-CB 3.27Å; Y154-K157 WeakPolarHBondContact O-CB 3.42Å; Y154-K157 PolarHBondContact O-N 3.49Å; Y154-K157 VanDerWaalsContact O-N 3.16Å |
| 155 | Q | 95.5 | Very high | 94.7 | Very high | 142 Ų | 142 | 51 Ų | 51 | 66% | 0.664 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -21.9 | 175.1 | -69 | 173.6 | 12.3 | 0 | 0 | 113 | N151 M152 V153 | N151-Q155 WeakPolarHBondContact O-CG 3.32Å; M152-Q155 PolarHBondContact O-N 2.86Å; V153-Q155 PolarHBondContact O-N 3.3Å |
| 156 | Y | 94.7 | Very high | 94.8 | Very high | 98 Ų | 98 | 51 Ų | 51 | 38% | 0.384 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.5 | 17.9 | -179.4 | -66.6 | -96.6 | 0 | 0 | 0 | 111.8 | W121 M152 V153 Y154 G158 M159 L161 | W121-Y156 AromaticContact CH2-CD2 3.69Å; W121-Y156 HydrophobicContact CH2-CD2 3.69Å; W121-Y156 AromaticContact CH2-CE2 3.37Å; W121-Y156 HydrophobicContact CH2-CE2 3.37Å; W121-Y156 AromaticContact CH2-CZ 3.92Å; W121-Y156 AromaticContact CZ2-CD2 3.79Å; W121-Y156 HydrophobicContact CZ2-CD2 3.79Å; W121-Y156 AromaticContact CZ2-CE2 3.85Å; W121-Y156 HydrophobicContact CZ2-CE2 3.85Å; W121-Y156 HydrophobicContact CZ2-CG 4.2Å; W121-Y156 HydrophobicContact CZ3-CE2 4.43Å; M152-Y156 WeakPolarHBondContact O-CD2 3.42Å; V153-Y156 PolarHBondContact O-N 3.35Å; Y154-Y156 PolarHBondContact O-N 2.98Å; Y156-G158 PolarHBondContact O-N 3.48Å; Y156-M159 HydrophobicContact CD1-SD 3.59Å; Y156-M159 VanDerWaalsContact CD1-SD 3.59Å; Y156-M159 HydrophobicContact CE1-SD 4.4Å; Y156-M159 HydrophobicContact CG-SD 4.27Å; Y156-M159 WeakPolarHBondContact O-CB 3.32Å; Y156-M159 PolarHBondContact O-N 3.18Å; Y156-M159 VanDerWaalsContact O-N 3.09Å; Y156-L161 VanDerWaalsContact CB-CD1 3.42Å; Y156-L161 HydrophobicContact CG-CD1 4.23Å |
| 157 | K | 92.9 | Very high | 94.8 | Very high | 96 Ų | 96 | 51 Ų | 51 | 42% | 0.417 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | 132.1 | 177.2 | -178.2 | 167.6 | -175.2 | 149.8 | 0 | 110.6 | Y154 M159 E183 | Y154-K157 HydrophobicContact CD2-CB 4.49Å; Y154-K157 HydrophobicContact CD2-CD 4Å; Y154-K157 HydrophobicContact CE2-CD 3.67Å; Y154-K157 VanDerWaalsContact O-CB 3.27Å; Y154-K157 WeakPolarHBondContact O-CB 3.42Å; Y154-K157 PolarHBondContact O-N 3.49Å; Y154-K157 VanDerWaalsContact O-N 3.16Å; K157-M159 VanDerWaalsContact C-N 3.29Å; K157-M159 PolarHBondContact O-N 3.49Å; K157-E183 VanDerWaalsContact CE-OE2 3.28Å; K157-E183 WeakPolarHBondContact CE-OE2 3.44Å; K157-E183 PolarHBondContact NZ-O 3.42Å; K157-E183 IonicContact NZ-OE2 3.5Å; K157-E183 PolarHBondContact NZ-OE2 3.32Å |
| 158 | G | 90.4 | Very high | 94.8 | Very high | 76 Ų | 76 | 46.1 Ų | 46.1 | 78% | 0.784 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 81.2 | -0.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y156 G160 | Y156-G158 PolarHBondContact O-N 3.48Å; G158-G160 VanDerWaalsContact C-N 3.3Å; G158-G160 PolarHBondContact O-N 3.05Å |
| 159 | M | 92.6 | Very high | 94.8 | Very high | 131 Ų | 131 | 42.9 Ų | 42.9 | 65% | 0.645 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | 13 | 177.1 | -56.1 | -172.6 | -171.8 | 0 | 0 | 113.6 | Y156 K157 | Y156-M159 HydrophobicContact CD1-SD 3.59Å; Y156-M159 VanDerWaalsContact CD1-SD 3.59Å; Y156-M159 HydrophobicContact CE1-SD 4.4Å; Y156-M159 HydrophobicContact CG-SD 4.27Å; Y156-M159 WeakPolarHBondContact O-CB 3.32Å; Y156-M159 PolarHBondContact O-N 3.18Å; Y156-M159 VanDerWaalsContact O-N 3.09Å; K157-M159 VanDerWaalsContact C-N 3.29Å; K157-M159 PolarHBondContact O-N 3.49Å |
| 160 | G | 90.1 | Very high | 94.7 | Very high | 51 Ų | 51 | 46.3 Ų | 46.3 | 53% | 0.526 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79 | 21.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | F63 G158 | F63-G160 WeakPolarHBondContact CE2-O 3.31Å; G158-G160 VanDerWaalsContact C-N 3.3Å; G158-G160 PolarHBondContact O-N 3.05Å |
| 161 | L | 91.8 | Very high | 94.5 | Very high | 37 Ų | 37 | 47.7 Ų | 47.7 | 19% | 0.194 | 25% | 0.253 | C | S | . | . | trans | -65.8 | 141 | 169.4 | -70.4 | -174.6 | 0 | 0 | 0 | 110.8 | W121 V153 Y156 S182 | W121-L161 HydrophobicContact CZ2-CD1 4.38Å; V153-L161 HydrophobicContact CG1-CD1 4.28Å; Y156-L161 VanDerWaalsContact CB-CD1 3.42Å; Y156-L161 HydrophobicContact CG-CD1 4.23Å; L161-S182 VanDerWaalsContact O-CB 3.28Å; L161-S182 WeakPolarHBondContact O-CB 3.38Å; L161-S182 PolarHBondContact O-OG 3.37Å | ||
| 162 | S | 92 | Very high | 94.2 | Very high | 14 Ų | 14 | 51.7 Ų | 51.7 | 10% | 0.098 | 27% | 0.267 | C | S | . | . | trans | -126.3 | 104.8 | 173.9 | -172.9 | 0 | 0 | 0 | 0 | 110.7 | H65 G114 D117 | H65-S162 PolarHBondContact NE2-OG 3.01Å; G114-S162 PolarHBondContact N-O 3.37Å; D117-S162 PolarHBondContact OD2-N 3.16Å | ||
| 163 | M | 92.2 | Very high | 94 | Very high | 8 Ų | 8 | 56.6 Ų | 56.6 | 4% | 0.039 | 30% | 0.298 | C | S | . | . | B | Isolated β-bridge | trans | -147.2 | 133 | 179.9 | 177.8 | -174.9 | -72.1 | 0 | 0 | 109.9 | D117 W121 L149 V153 T165 D181 S182 | D117-M163 WeakPolarHBondContact O-CE 3.33Å; W121-M163 HydrophobicContact CB-CE 3.39Å; W121-M163 HydrophobicContact CG-CE 3.83Å; L149-M163 HydrophobicContact CD2-SD 4.44Å; V153-M163 HydrophobicContact CG2-SD 4.03Å; M163-T165 HydrophobicContact CG-CG2 4.04Å; M163-T165 HydrophobicContact SD-CG2 3.78Å; M163-D181 CarbonylContact O-C 3.54Å; M163-D181 VanDerWaalsContact O-CA 3.23Å; M163-D181 WeakPolarHBondContact O-CA 3.43Å; M163-S182 PolarHBondContact O-N 3.16Å |
| 164 | G | 94.1 | Very high | 93.9 | Very high | 4 Ų | 4 | 57.2 Ų | 57.2 | 4% | 0.041 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 94.1 | 163.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | A112 | A112-G164 WeakPolarHBondContact CB-O 3.49Å; A112-G164 PolarHBondContact O-N 2.85Å |
| 165 | T | 96.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 146.8 | -177.4 | -177 | 0 | 0 | 0 | 0 | 111.3 | T110 E122 L149 M163 V180 | T110-T165 PolarHBondContact N-OG1 2.8Å; T110-T165 VanDerWaalsContact O-CA 3.25Å; T110-T165 WeakPolarHBondContact O-CA 3.21Å; T110-T165 WeakPolarHBondContact O-CB 3.4Å; T110-T165 PolarHBondContact O-OG1 2.86Å; E122-T165 WeakPolarHBondContact OE1-CB 3.41Å; E122-T165 PolarHBondContact OE1-OG1 3.33Å; L149-T165 HydrophobicContact CD2-CG2 3.44Å; L149-T165 VanDerWaalsContact CD2-CG2 3.44Å; M163-T165 HydrophobicContact CG-CG2 4.04Å; M163-T165 HydrophobicContact SD-CG2 3.78Å; T165-V180 HydrophobicContact CG2-CB 4.24Å; T165-V180 PolarHBondContact N-O 3.26Å; T165-V180 PolarHBondContact O-N 2.84Å |
| 166 | M | 97.9 | Very high | 94 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 119.8 | 171.6 | -63 | 173.5 | -72.9 | 0 | 0 | 108.2 | T69 A71 G109 T110 L177 Y178 Y179 F192 V194 | T69-M166 VanDerWaalsContact OG1-CE 3.27Å; T69-M166 WeakPolarHBondContact OG1-CE 3.27Å; A71-M166 HydrophobicContact CB-CE 4.21Å; A71-M166 HydrophobicContact CB-SD 3.81Å; G109-M166 WeakPolarHBondContact CA-O 3.35Å; T110-M166 HydrophobicContact CG2-CB 4.2Å; T110-M166 HydrophobicContact CG2-CE 3.85Å; T110-M166 PolarHBondContact N-O 3.1Å; T110-M166 WeakPolarHBondContact OG1-CB 3.46Å; T110-M166 WeakPolarHBondContact OG1-CE 3.31Å; T110-M166 PolarHBondContact OG1-N 2.98Å; M166-L177 HydrophobicContact CB-CD1 4.23Å; M166-Y178 CarbonylContact C-O 3.54Å; M166-Y178 VanDerWaalsContact CA-O 3.27Å; M166-Y178 WeakPolarHBondContact CA-O 3.19Å; M166-Y179 HydrophobicContact CG-CD2 4.29Å; M166-F192 HydrophobicContact CG-CB 4.16Å; M166-F192 HydrophobicContact SD-CB 3.41Å; M166-F192 WeakPolarHBondContact SD-CB 3.48Å; M166-V194 HydrophobicContact CE-CG2 4.2Å; M166-V194 HydrophobicContact CG-CG2 4.04Å; M166-V194 HydrophobicContact SD-CG2 3.95Å |
| 167 | V | 97.8 | Very high | 94.1 | Very high | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.006 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 111.5 | 173.4 | -174.7 | 0 | 0 | 0 | 0 | 107.9 | L107 V142 L149 Y178 V180 | L107-V167 HydrophobicContact CD2-CG1 4.35Å; V142-V167 HydrophobicContact CG1-CG1 4.16Å; L149-V167 HydrophobicContact CD2-CG2 4.1Å; V167-Y178 PolarHBondContact N-O 3.07Å; V167-Y178 PolarHBondContact O-N 2.9Å; V167-V180 HydrophobicContact CG2-CG2 4.46Å |
| 168 | C | 97.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 140.5 | -176.9 | -50.2 | 0 | 0 | 0 | 0 | 109.5 | V78 V80 L107 L108 L177 V246 | V78-C168 HydrophobicContact CG1-CB 4.47Å; V80-C168 HydrophobicContact CG2-CB 3.93Å; L107-C168 WeakPolarHBondContact CA-O 3.43Å; L108-C168 HydrophobicContact CB-CB 4.39Å; L108-C168 PolarHBondContact N-O 3.27Å; L108-C168 PolarHBondContact O-N 3.24Å; C168-L177 WeakPolarHBondContact SG-CD1 3.46Å; C168-V246 HydrophobicContact CB-CG2 4.47Å |
| 169 | G | 96.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -175.9 | 178.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y106 G176 | Y106-G169 WeakPolarHBondContact O-CA 3.38Å; G169-G176 PolarHBondContact N-O 2.95Å; G169-G176 PolarHBondContact O-N 2.84Å |
| 170 | W | 95.6 | Very high | 95 | Very high | 72 Ų | 72 | 30.8 Ų | 30.8 | 27% | 0.273 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 128.8 | 172.1 | -163.5 | -69.9 | 0 | 0 | 0 | 110 | G77 P175 V246 H247 | G77-W170 VanDerWaalsContact CA-CZ3 3.41Å; W170-P175 HydrophobicContact CE3-CB 3.97Å; W170-P175 HydrophobicContact CE3-CG 4.49Å; W170-P175 HydrophobicContact CH2-CG 4.39Å; W170-P175 HydrophobicContact CZ3-CB 4.1Å; W170-P175 HydrophobicContact CZ3-CG 4.21Å; W170-V246 HydrophobicContact CB-CG1 4.32Å; W170-H247 VanDerWaalsContact CB-O 3.29Å; W170-H247 WeakPolarHBondContact CB-O 3.47Å |
| 171 | D | 93 | Very high | 95.2 | Very high | 31 Ų | 31 | 29.1 Ų | 29.1 | 17% | 0.166 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | -179.2 | -179.3 | -169.9 | 21.9 | 0 | 0 | 0 | 111.4 | S141 V142 T173 G174 | S141-D171 WeakPolarHBondContact CA-OD2 3.41Å; S141-D171 WeakPolarHBondContact CB-OD2 3.35Å; V142-D171 HydrophobicContact CG2-CB 4.12Å; D171-T173 PolarHBondContact O-N 2.8Å; D171-T173 VanDerWaalsContact O-N 3.14Å; D171-G174 PolarHBondContact N-O 2.9Å; D171-G174 WeakPolarHBondContact O-CA 3.43Å; D171-G174 PolarHBondContact O-N 3.22Å |
| 172 | K | 91.3 | Very high | 95.3 | Very high | 156 Ų | 156 | 28.3 Ų | 28.3 | 68% | 0.678 | 15% | 0.147 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | -31.2 | 173.8 | -64.9 | 178 | 173.9 | 179.8 | 0 | 113.3 | E138 G174 | E138-K172 WeakPolarHBondContact OE1-CE 3.32Å; E138-K172 IonicContact OE1-NZ 2.76Å; E138-K172 PolarHBondContact OE1-NZ 3.22Å; E138-K172 IonicContact OE2-NZ 3.83Å; E138-K172 PolarHBondContact OE2-NZ 2.79Å; K172-G174 VanDerWaalsContact C-N 3.29Å |
| 173 | T | 90.6 | Very high | 95.2 | Very high | 129 Ų | 129 | 32 Ų | 32 | 79% | 0.791 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | 4.2 | 177.1 | 60.4 | 0 | 0 | 0 | 0 | 113.6 | D171 | D171-T173 PolarHBondContact O-N 2.8Å; D171-T173 VanDerWaalsContact O-N 3.14Å |
| 174 | G | 93.5 | Very high | 95.1 | Very high | 13 Ų | 13 | 32.7 Ų | 32.7 | 13% | 0.134 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 96.7 | -157.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | D171 K172 G176 | D171-G174 PolarHBondContact N-O 2.9Å; D171-G174 WeakPolarHBondContact O-CA 3.43Å; D171-G174 PolarHBondContact O-N 3.22Å; K172-G174 VanDerWaalsContact C-N 3.29Å; G174-G176 PolarHBondContact O-N 2.6Å |
| 175 | P | 95.8 | Very high | 95.1 | Very high | 33 Ų | 33 | 36.5 Ų | 36.5 | 21% | 0.214 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 126.2 | -178.8 | 25.8 | -31.9 | 0 | 0 | 0 | 111.2 | K73 V78 W170 | K73-P175 WeakPolarHBondContact CE-O 3.34Å; V78-P175 HydrophobicContact CG2-CB 3.72Å; W170-P175 HydrophobicContact CE3-CB 3.97Å; W170-P175 HydrophobicContact CE3-CG 4.49Å; W170-P175 HydrophobicContact CH2-CG 4.39Å; W170-P175 HydrophobicContact CZ3-CB 4.1Å; W170-P175 HydrophobicContact CZ3-CG 4.21Å |
| 176 | G | 96.2 | Very high | 95.2 | Very high | 7 Ų | 7 | 40.4 Ų | 40.4 | 7% | 0.072 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 134 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | G169 G174 | G169-G176 PolarHBondContact N-O 2.95Å; G169-G176 PolarHBondContact O-N 2.84Å; G174-G176 PolarHBondContact O-N 2.6Å |
| 177 | L | 97.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 121 | 175.6 | 173.8 | 61.9 | 0 | 0 | 0 | 109.2 | A71 K73 M166 C168 G189 F192 | A71-L177 HydrophobicContact CB-CD1 3.67Å; A71-L177 HydrophobicContact CB-CD2 4.21Å; K73-L177 HydrophobicContact CD-CB 3.76Å; K73-L177 HydrophobicContact CG-CB 3.91Å; K73-L177 HydrophobicContact CG-CD2 4.27Å; M166-L177 HydrophobicContact CB-CD1 4.23Å; C168-L177 WeakPolarHBondContact SG-CD1 3.46Å; L177-G189 WeakPolarHBondContact CB-O 3.28Å; L177-G189 PolarHBondContact O-N 3.28Å; L177-F192 HydrophobicContact CD1-CD2 4.25Å; L177-F192 HydrophobicContact CD2-CD2 3.87Å; L177-F192 HydrophobicContact CD2-CE2 4.45Å; L177-F192 HydrophobicContact CG-CD2 3.75Å; L177-F192 HydrophobicContact CG-CE2 4.11Å |
| 178 | Y | 98.2 | Very high | 95.1 | Very high | 35 Ų | 35 | 47.4 Ų | 47.4 | 14% | 0.137 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 132.4 | -178.8 | -69.4 | -94.6 | 0 | 0 | 0 | 110.6 | V142 A143 M166 V167 R186 V187 C188 | V142-Y178 HydrophobicContact CB-CD2 4.49Å; V142-Y178 HydrophobicContact CB-CE2 4.33Å; V142-Y178 HydrophobicContact CG1-CD2 3.71Å; V142-Y178 HydrophobicContact CG1-CE2 4.02Å; A143-Y178 HydrophobicContact CB-CE2 4.29Å; A143-Y178 WeakPolarHBondContact CB-OH 3.47Å; M166-Y178 CarbonylContact C-O 3.54Å; M166-Y178 VanDerWaalsContact CA-O 3.27Å; M166-Y178 WeakPolarHBondContact CA-O 3.19Å; V167-Y178 PolarHBondContact N-O 3.07Å; V167-Y178 PolarHBondContact O-N 2.9Å; Y178-R186 HydrophobicContact CD1-CG 4.41Å; Y178-R186 VanDerWaalsContact CE1-CZ 3.5Å; Y178-V187 CarbonylContact C-O 3.56Å; Y178-V187 VanDerWaalsContact CA-O 3.31Å; Y178-V187 WeakPolarHBondContact CA-O 3.3Å; Y178-C188 HydrophobicContact CD1-CB 3.88Å; Y178-C188 HydrophobicContact CE1-CB 3.55Å |
| 179 | Y | 98.1 | Very high | 94.9 | Very high | 56 Ų | 56 | 48.2 Ų | 48.2 | 22% | 0.22 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 132 | 167.3 | 174 | -108.7 | 0 | 0 | 0 | 109.9 | M166 D181 R186 V187 V194 | M166-Y179 HydrophobicContact CG-CD2 4.29Å; Y179-D181 HydrophobicContact CE1-CB 3.97Å; Y179-R186 WeakPolarHBondContact O-CA 3.46Å; Y179-V187 PolarHBondContact N-O 3.37Å; Y179-V187 PolarHBondContact O-N 2.88Å; Y179-V194 HydrophobicContact CD2-CG2 3.65Å; Y179-V194 HydrophobicContact CE2-CB 4.41Å; Y179-V194 HydrophobicContact CE2-CG1 3.95Å; Y179-V194 HydrophobicContact CE2-CG2 3.49Å; Y179-V194 VanDerWaalsContact CE2-CG2 3.49Å |
| 180 | V | 97.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 132 | 177.3 | -177.9 | 0 | 0 | 0 | 0 | 109.3 | L149 A150 T165 V167 N185 R186 | L149-V180 HydrophobicContact CD2-CB 4.39Å; L149-V180 HydrophobicContact CD2-CG1 4.26Å; L149-V180 HydrophobicContact CG-CG1 4.22Å; A150-V180 HydrophobicContact CB-CG1 3.92Å; T165-V180 HydrophobicContact CG2-CB 4.24Å; T165-V180 PolarHBondContact N-O 3.26Å; T165-V180 PolarHBondContact O-N 2.84Å; V167-V180 HydrophobicContact CG2-CG2 4.46Å; V180-N185 WeakPolarHBondContact CA-O 3.42Å; V180-R186 HydrophobicContact CG2-CG 4.34Å |
| 181 | D | 94.9 | Very high | 94.8 | Very high | 16 Ų | 16 | 51 Ų | 51 | 9% | 0.086 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 171.8 | 179.1 | 72 | 16.7 | 0 | 0 | 0 | 114.5 | M163 Y179 E183 G184 N185 | M163-D181 CarbonylContact O-C 3.54Å; M163-D181 VanDerWaalsContact O-CA 3.23Å; M163-D181 WeakPolarHBondContact O-CA 3.43Å; Y179-D181 HydrophobicContact CE1-CB 3.97Å; D181-E183 PolarHBondContact O-N 3.04Å; D181-E183 WeakPolarHBondContact OD1-CA 3.4Å; D181-E183 WeakPolarHBondContact OD1-CB 3.34Å; D181-E183 PolarHBondContact OD1-N 3.42Å; D181-G184 PolarHBondContact O-N 3.34Å; D181-G184 PolarHBondContact OD1-N 3.33Å; D181-N185 PolarHBondContact N-O 3.06Å; D181-N185 WeakPolarHBondContact OD1-CA 3.27Å; D181-N185 VanDerWaalsContact OD1-CB 3.29Å; D181-N185 WeakPolarHBondContact OD1-CB 3.49Å; D181-N185 PolarHBondContact OD1-N 3.42Å; D181-N185 PolarHBondContact OD1-ND2 3.27Å; D181-N185 VanDerWaalsContact OD2-CB 3.31Å; D181-N185 WeakPolarHBondContact OD2-CB 3.32Å; D181-N185 PolarHBondContact OD2-ND2 3.06Å |
| 182 | S | 93.4 | Very high | 95 | Very high | 20 Ų | 20 | 50.9 Ų | 50.9 | 14% | 0.14 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -19.8 | 176.9 | 50.2 | 0 | 0 | 0 | 0 | 114.4 | L161 M163 G184 | L161-S182 VanDerWaalsContact O-CB 3.28Å; L161-S182 WeakPolarHBondContact O-CB 3.38Å; L161-S182 PolarHBondContact O-OG 3.37Å; M163-S182 PolarHBondContact O-N 3.16Å; S182-G184 VanDerWaalsContact C-N 3.26Å; S182-G184 PolarHBondContact O-N 2.83Å |
| 183 | E | 91.8 | Very high | 95.3 | Very high | 91 Ų | 91 | 43.8 Ų | 43.8 | 43% | 0.425 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -6.8 | 178.2 | -65.9 | -54.6 | 134.2 | 0 | 0 | 113.1 | K157 D181 | K157-E183 VanDerWaalsContact CE-OE2 3.28Å; K157-E183 WeakPolarHBondContact CE-OE2 3.44Å; K157-E183 PolarHBondContact NZ-O 3.42Å; K157-E183 IonicContact NZ-OE2 3.5Å; K157-E183 PolarHBondContact NZ-OE2 3.32Å; D181-E183 PolarHBondContact O-N 3.04Å; D181-E183 WeakPolarHBondContact OD1-CA 3.4Å; D181-E183 WeakPolarHBondContact OD1-CB 3.34Å; D181-E183 PolarHBondContact OD1-N 3.42Å |
| 184 | G | 88.9 | Confident | 95.5 | Very high | 23 Ų | 23 | 38.5 Ų | 38.5 | 24% | 0.237 | 22% | 0.216 | C | C | . | . | trans | 88.9 | 10.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | D181 S182 | D181-G184 PolarHBondContact O-N 3.34Å; D181-G184 PolarHBondContact OD1-N 3.33Å; S182-G184 VanDerWaalsContact C-N 3.26Å; S182-G184 PolarHBondContact O-N 2.83Å | ||
| 185 | N | 94.9 | Very high | 95.5 | Very high | 84 Ų | 84 | 38.9 Ų | 38.9 | 45% | 0.449 | 22% | 0.22 | S | C | . | . | trans | -68.2 | 140 | 173 | -58.6 | -48.1 | 0 | 0 | 0 | 109.2 | V180 D181 | V180-N185 WeakPolarHBondContact CA-O 3.42Å; D181-N185 PolarHBondContact N-O 3.06Å; D181-N185 WeakPolarHBondContact OD1-CA 3.27Å; D181-N185 VanDerWaalsContact OD1-CB 3.29Å; D181-N185 WeakPolarHBondContact OD1-CB 3.49Å; D181-N185 PolarHBondContact OD1-N 3.42Å; D181-N185 PolarHBondContact OD1-ND2 3.27Å; D181-N185 VanDerWaalsContact OD2-CB 3.31Å; D181-N185 WeakPolarHBondContact OD2-CB 3.32Å; D181-N185 PolarHBondContact OD2-ND2 3.06Å | ||
| 186 | R | 97.1 | Very high | 95.4 | Very high | 82 Ų | 82 | 39 Ų | 39 | 31% | 0.309 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 110.4 | 174.5 | 177.2 | -176.4 | 169.6 | -81.5 | 7.2 | 108.4 | A143 S146 A150 Y178 Y179 V180 | A143-R186 PolarHBondContact O-NH2 3.28Å; S146-R186 PolarHBondContact OG-NE 3.36Å; S146-R186 PolarHBondContact OG-NH2 3.15Å; A150-R186 HydrophobicContact CB-CB 4.18Å; Y178-R186 HydrophobicContact CD1-CG 4.41Å; Y178-R186 VanDerWaalsContact CE1-CZ 3.5Å; Y179-R186 WeakPolarHBondContact O-CA 3.46Å; V180-R186 HydrophobicContact CG2-CG 4.34Å |
| 187 | V | 97.4 | Very high | 95.3 | Very high | 73 Ų | 73 | 38.7 Ų | 38.7 | 44% | 0.442 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 133.2 | -175.6 | -171.9 | 0 | 0 | 0 | 0 | 109.4 | Y178 Y179 F192 | Y178-V187 CarbonylContact C-O 3.56Å; Y178-V187 VanDerWaalsContact CA-O 3.31Å; Y178-V187 WeakPolarHBondContact CA-O 3.3Å; Y179-V187 PolarHBondContact N-O 3.37Å; Y179-V187 PolarHBondContact O-N 2.88Å; V187-F192 HydrophobicContact CB-CZ 4.3Å; V187-F192 HydrophobicContact CG1-CE1 4.43Å; V187-F192 HydrophobicContact CG1-CZ 4.13Å |
| 188 | C | 96.8 | Very high | 95.2 | Very high | 74 Ų | 74 | 39.7 Ų | 39.7 | 50% | 0.5 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 139.4 | 169.3 | -173 | 0 | 0 | 0 | 0 | 108.5 | Y178 | Y178-C188 HydrophobicContact CD1-CB 3.88Å; Y178-C188 HydrophobicContact CE1-CB 3.55Å |
| 189 | G | 94.1 | Very high | 95 | Very high | 18 Ų | 18 | 44.7 Ų | 44.7 | 19% | 0.186 | 25% | 0.252 | C | S | . | . | trans | -165.7 | 171.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L177 | L177-G189 WeakPolarHBondContact CB-O 3.28Å; L177-G189 PolarHBondContact O-N 3.28Å | ||
| 190 | D | 93.9 | Very high | 94.9 | Very high | 101 Ų | 101 | 47 Ų | 47 | 54% | 0.54 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -96.4 | -15.7 | -179 | -62.1 | -43.8 | 0 | 0 | 0 | 113.2 | F72 K73 | F72-D190 CarbonylContact C-O 3.57Å; F72-D190 WeakPolarHBondContact CA-O 3.22Å; K73-D190 HydrophobicContact CB-CB 4.31Å; K73-D190 WeakPolarHBondContact CD-OD1 3.19Å; K73-D190 WeakPolarHBondContact CE-OD1 3.42Å; K73-D190 PolarHBondContact N-O 2.93Å; K73-D190 IonicContact NZ-OD1 3.57Å; K73-D190 PolarHBondContact NZ-OD1 2.86Å |
| 191 | L | 95.4 | Very high | 94.8 | Very high | 30 Ų | 30 | 47 Ų | 47 | 16% | 0.157 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 130.3 | 179.4 | 170.7 | 66.1 | 0 | 0 | 0 | 109 | L70 F72 Y202 V205 D206 L209 | L70-L191 HydrophobicContact CD1-CD1 3.62Å; F72-L191 HydrophobicContact CB-CB 4.38Å; F72-L191 HydrophobicContact CB-CD1 3.62Å; L191-Y202 HydrophobicContact CD2-CD1 3.87Å; L191-Y202 HydrophobicContact CD2-CE1 4.08Å; L191-Y202 HydrophobicContact CG-CD1 4.17Å; L191-Y202 HydrophobicContact CG-CE1 3.93Å; L191-V205 HydrophobicContact CD1-CB 4.24Å; L191-V205 HydrophobicContact CD1-CG1 3.47Å; L191-V205 VanDerWaalsContact CD1-CG1 3.47Å; L191-V205 HydrophobicContact CD2-CG1 4.1Å; L191-V205 HydrophobicContact CG-CG1 4.45Å; L191-D206 WeakPolarHBondContact CD2-OD1 3.28Å; L191-L209 HydrophobicContact CB-CD1 4.5Å; L191-L209 HydrophobicContact CD1-CD1 4.36Å; L191-L209 HydrophobicContact CD2-CD1 4.08Å |
| 192 | F | 97.6 | Very high | 94.9 | Very high | 27 Ų | 27 | 49.7 Ų | 49.7 | 12% | 0.118 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 138.8 | 168.6 | -65.9 | -67.1 | 0 | 0 | 0 | 110 | L70 A71 M166 L177 V187 | L70-F192 CarbonylContact C-O 3.56Å; L70-F192 WeakPolarHBondContact CA-O 3.36Å; A71-F192 PolarHBondContact N-O 2.75Å; A71-F192 PolarHBondContact O-N 2.77Å; A71-F192 VanDerWaalsContact O-O 3.13Å; M166-F192 HydrophobicContact CG-CB 4.16Å; M166-F192 HydrophobicContact SD-CB 3.41Å; M166-F192 WeakPolarHBondContact SD-CB 3.48Å; L177-F192 HydrophobicContact CD1-CD2 4.25Å; L177-F192 HydrophobicContact CD2-CD2 3.87Å; L177-F192 HydrophobicContact CD2-CE2 4.45Å; L177-F192 HydrophobicContact CG-CD2 3.75Å; L177-F192 HydrophobicContact CG-CE2 4.11Å; V187-F192 HydrophobicContact CB-CZ 4.3Å; V187-F192 HydrophobicContact CG1-CE1 4.43Å; V187-F192 HydrophobicContact CG1-CZ 4.13Å |
| 193 | A | 96.5 | Very high | 94.9 | Very high | 7 Ų | 7 | 51 Ų | 51 | 6% | 0.058 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 135.6 | 163.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | T69 L70 S198 A201 Y202 | T69-A193 CarbonylContact O-C 3.17Å; T69-A193 WeakPolarHBondContact O-CA 3.42Å; L70-A193 HydrophobicContact CD1-CB 3.95Å; A193-S198 VanDerWaalsContact C-CB 3.49Å; A193-S198 WeakPolarHBondContact O-CB 3.45Å; A193-A201 HydrophobicContact CB-CB 4.11Å; A193-Y202 HydrophobicContact CB-CD1 4.48Å; A193-Y202 HydrophobicContact CB-CD2 3.89Å; A193-Y202 HydrophobicContact CB-CE1 4.25Å; A193-Y202 HydrophobicContact CB-CE2 3.64Å; A193-Y202 HydrophobicContact CB-CG 4.3Å; A193-Y202 PolarHBondContact N-OH 2.98Å; A193-Y202 WeakPolarHBondContact O-CE2 3.22Å; A193-Y202 PolarHBondContact O-OH 3.11Å |
| 194 | V | 95.9 | Very high | 95 | Very high | 18 Ų | 18 | 48.8 Ų | 48.8 | 11% | 0.109 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 139.4 | -173.3 | -169.8 | 0 | 0 | 0 | 0 | 110.2 | T69 A112 M166 Y179 | T69-V194 PolarHBondContact N-O 2.83Å; T69-V194 PolarHBondContact O-N 2.92Å; T69-V194 PolarHBondContact OG1-O 3.29Å; A112-V194 HydrophobicContact CB-CB 4.25Å; A112-V194 HydrophobicContact CB-CG1 3.78Å; M166-V194 HydrophobicContact CE-CG2 4.2Å; M166-V194 HydrophobicContact CG-CG2 4.04Å; M166-V194 HydrophobicContact SD-CG2 3.95Å; Y179-V194 HydrophobicContact CD2-CG2 3.65Å; Y179-V194 HydrophobicContact CE2-CB 4.41Å; Y179-V194 HydrophobicContact CE2-CG1 3.95Å; Y179-V194 HydrophobicContact CE2-CG2 3.49Å; Y179-V194 VanDerWaalsContact CE2-CG2 3.49Å |
| 195 | G | 93.7 | Very high | 95.2 | Very high | 21 Ų | 21 | 47.7 Ų | 47.7 | 22% | 0.216 | 27% | 0.266 | C | S | . | . | S | Bend | trans | 112.6 | -179.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | T67 G197 S198 | T67-G195 CarbonylContact O-C 3.59Å; T67-G195 WeakPolarHBondContact O-CA 3.48Å; G195-G197 VanDerWaalsContact C-N 3.32Å; G195-G197 PolarHBondContact O-N 2.76Å; G195-S198 WeakPolarHBondContact O-CB 3.47Å; G195-S198 PolarHBondContact O-N 3.21Å; G195-S198 VanDerWaalsContact O-N 3.15Å; G195-S198 PolarHBondContact O-OG 3.41Å |
| 196 | S | 93.4 | Very high | 95.1 | Very high | 36 Ų | 36 | 47.6 Ų | 47.6 | 25% | 0.252 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -40.2 | -177.7 | 47.3 | 0 | 0 | 0 | 0 | 113.9 | H65 T67 D234 | H65-S196 WeakPolarHBondContact O-CB 3.45Å; H65-S196 PolarHBondContact O-OG 2.95Å; H65-S196 VanDerWaalsContact O-OG 3.08Å; T67-S196 PolarHBondContact N-OG 3.32Å; T67-S196 PolarHBondContact O-N 2.89Å; T67-S196 PolarHBondContact O-OG 2.94Å; S196-D234 WeakPolarHBondContact CB-OD2 3.45Å; S196-D234 PolarHBondContact OG-OD2 2.8Å |
| 197 | G | 94.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | 8.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | T67 T68 G195 M199 Y200 A201 D234 | T67-G197 PolarHBondContact O-N 3.01Å; T68-G197 WeakPolarHBondContact OG1-CA 3.38Å; T68-G197 PolarHBondContact OG1-N 3.27Å; G195-G197 VanDerWaalsContact C-N 3.32Å; G195-G197 PolarHBondContact O-N 2.76Å; G197-M199 VanDerWaalsContact C-N 3.31Å; G197-M199 PolarHBondContact O-N 2.84Å; G197-Y200 PolarHBondContact O-N 3.14Å; G197-Y200 VanDerWaalsContact O-N 3.15Å; G197-A201 PolarHBondContact O-N 3.4Å; G197-D234 PolarHBondContact N-OD2 3.24Å; G197-D234 VanDerWaalsContact N-OD2 3.16Å |
| 198 | S | 94.6 | Very high | 93.9 | Very high | 21 Ų | 21 | 44.2 Ų | 44.2 | 15% | 0.147 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -54.4 | -42.6 | -178.7 | 55 | 0 | 0 | 0 | 0 | 113.3 | A193 G195 Y200 A201 Y202 | A193-S198 VanDerWaalsContact C-CB 3.49Å; A193-S198 WeakPolarHBondContact O-CB 3.45Å; G195-S198 WeakPolarHBondContact O-CB 3.47Å; G195-S198 PolarHBondContact O-N 3.21Å; G195-S198 VanDerWaalsContact O-N 3.15Å; G195-S198 PolarHBondContact O-OG 3.41Å; S198-Y200 VanDerWaalsContact C-N 3.29Å; S198-Y200 PolarHBondContact O-N 2.59Å; S198-A201 WeakPolarHBondContact O-CB 3.44Å; S198-A201 PolarHBondContact O-N 2.78Å; S198-A201 VanDerWaalsContact O-N 3.1Å; S198-Y202 WeakPolarHBondContact O-CD2 3.22Å; S198-Y202 PolarHBondContact O-N 3.09Å |
| 199 | M | 94.6 | Very high | 93 | Very high | 141 Ų | 141 | 43.2 Ų | 43.2 | 70% | 0.695 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -60.7 | -36.9 | -179.8 | -64.7 | -174.2 | -69.4 | 0 | 0 | 112.8 | G197 | G197-M199 VanDerWaalsContact C-N 3.31Å; G197-M199 PolarHBondContact O-N 2.84Å |
| 200 | Y | 96.2 | Very high | 91.8 | Very high | 103 Ų | 103 | 50.6 Ų | 50.6 | 40% | 0.404 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -71.4 | -35.9 | 176.5 | -57.1 | -61.4 | 0 | 0 | 0 | 111.7 | G197 S198 R233 D234 | G197-Y200 PolarHBondContact O-N 3.14Å; G197-Y200 VanDerWaalsContact O-N 3.15Å; S198-Y200 VanDerWaalsContact C-N 3.29Å; S198-Y200 PolarHBondContact O-N 2.59Å; Y200-R233 HydrophobicContact CD1-CB 3.9Å; Y200-R233 HydrophobicContact CD1-CG 4.23Å; Y200-R233 HydrophobicContact CD2-CB 3.95Å; Y200-R233 HydrophobicContact CE1-CB 3.77Å; Y200-R233 HydrophobicContact CE1-CG 4.25Å; Y200-R233 HydrophobicContact CE2-CB 3.84Å; Y200-R233 HydrophobicContact CG-CB 3.99Å; Y200-D234 HydrophobicContact CD2-CB 4.07Å; Y200-D234 HydrophobicContact CE2-CB 3.94Å |
| 201 | A | 95.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.5 | -43.9 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | T68 A193 G197 S198 G203 I204 V205 A230 | T68-A201 HydrophobicContact CG2-CB 4.06Å; A193-A201 HydrophobicContact CB-CB 4.11Å; G197-A201 PolarHBondContact O-N 3.4Å; S198-A201 WeakPolarHBondContact O-CB 3.44Å; S198-A201 PolarHBondContact O-N 2.78Å; S198-A201 VanDerWaalsContact O-N 3.1Å; A201-G203 VanDerWaalsContact C-N 3.34Å; A201-G203 PolarHBondContact O-N 3.35Å; A201-I204 PolarHBondContact O-N 3.28Å; A201-V205 VanDerWaalsContact O-CG2 3.31Å; A201-V205 WeakPolarHBondContact O-CG2 3.39Å; A201-V205 PolarHBondContact O-N 2.91Å; A201-V205 VanDerWaalsContact O-N 3.09Å; A201-A230 HydrophobicContact CB-CB 4.46Å |
| 202 | Y | 95.8 | Very high | 88.7 | Confident | 73 Ų | 73 | 59.1 Ų | 59.1 | 29% | 0.286 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -53.8 | -48.3 | 177.2 | -82.1 | -66.3 | 0 | 0 | 0 | 112 | L191 A193 S198 I204 V205 D206 | L191-Y202 HydrophobicContact CD2-CD1 3.87Å; L191-Y202 HydrophobicContact CD2-CE1 4.08Å; L191-Y202 HydrophobicContact CG-CD1 4.17Å; L191-Y202 HydrophobicContact CG-CE1 3.93Å; A193-Y202 HydrophobicContact CB-CD1 4.48Å; A193-Y202 HydrophobicContact CB-CD2 3.89Å; A193-Y202 HydrophobicContact CB-CE1 4.25Å; A193-Y202 HydrophobicContact CB-CE2 3.64Å; A193-Y202 HydrophobicContact CB-CG 4.3Å; A193-Y202 PolarHBondContact N-OH 2.98Å; A193-Y202 WeakPolarHBondContact O-CE2 3.22Å; A193-Y202 PolarHBondContact O-OH 3.11Å; S198-Y202 WeakPolarHBondContact O-CD2 3.22Å; S198-Y202 PolarHBondContact O-N 3.09Å; Y202-I204 VanDerWaalsContact C-N 3.26Å; Y202-I204 PolarHBondContact O-N 3.22Å; Y202-V205 PolarHBondContact O-N 2.77Å; Y202-V205 VanDerWaalsContact O-N 3.17Å; Y202-D206 VanDerWaalsContact O-CB 3.29Å; Y202-D206 WeakPolarHBondContact O-CB 3.48Å; Y202-D206 PolarHBondContact O-N 2.88Å |
| 203 | G | 94.3 | Very high | 87.8 | Confident | 48 Ų | 48 | 63.6 Ų | 63.6 | 50% | 0.495 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -58.2 | -34.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | A201 | A201-G203 VanDerWaalsContact C-N 3.34Å; A201-G203 PolarHBondContact O-N 3.35Å |
| 204 | I | 93.9 | Very high | 87.4 | Confident | 44 Ų | 44 | 63.7 Ų | 63.7 | 23% | 0.226 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -77 | -47.2 | 176.9 | -58.6 | -58.6 | 0 | 0 | 0 | 110.7 | A201 Y202 S207 G208 L222 A226 Q229 | A201-I204 PolarHBondContact O-N 3.28Å; Y202-I204 VanDerWaalsContact C-N 3.26Å; Y202-I204 PolarHBondContact O-N 3.22Å; I204-S207 PolarHBondContact O-N 2.69Å; I204-S207 PolarHBondContact O-OG 3.15Å; I204-G208 PolarHBondContact O-N 3.33Å; I204-G208 VanDerWaalsContact O-N 3.12Å; I204-L222 HydrophobicContact CG2-CD1 4.23Å; I204-A226 HydrophobicContact CB-CB 4.1Å; I204-A226 HydrophobicContact CG2-CB 4.05Å; I204-Q229 HydrophobicContact CD1-CB 4.24Å; I204-Q229 HydrophobicContact CD1-CG 3.9Å; I204-Q229 HydrophobicContact CG1-CB 3.87Å; I204-Q229 HydrophobicContact CG1-CG 3.93Å |
| 205 | V | 93 | Very high | 87.2 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -69.6 | -40.7 | -173.4 | -179.8 | 0 | 0 | 0 | 0 | 111.4 | L70 F72 L191 A201 Y202 S207 G208 L209 A226 | L70-V205 HydrophobicContact CD1-CB 4.47Å; L70-V205 HydrophobicContact CD1-CG1 4.48Å; L70-V205 HydrophobicContact CD1-CG2 3.83Å; L70-V205 HydrophobicContact CD2-CG2 3.46Å; L70-V205 VanDerWaalsContact CD2-CG2 3.46Å; L70-V205 HydrophobicContact CG-CG2 4.28Å; F72-V205 HydrophobicContact CD1-CG1 4.08Å; F72-V205 HydrophobicContact CG-CG1 4.31Å; L191-V205 HydrophobicContact CD1-CB 4.24Å; L191-V205 HydrophobicContact CD1-CG1 3.47Å; L191-V205 VanDerWaalsContact CD1-CG1 3.47Å; L191-V205 HydrophobicContact CD2-CG1 4.1Å; L191-V205 HydrophobicContact CG-CG1 4.45Å; A201-V205 VanDerWaalsContact O-CG2 3.31Å; A201-V205 WeakPolarHBondContact O-CG2 3.39Å; A201-V205 PolarHBondContact O-N 2.91Å; A201-V205 VanDerWaalsContact O-N 3.09Å; Y202-V205 PolarHBondContact O-N 2.77Å; Y202-V205 VanDerWaalsContact O-N 3.17Å; V205-S207 PolarHBondContact O-N 2.96Å; V205-G208 PolarHBondContact O-N 3.15Å; V205-G208 VanDerWaalsContact O-N 3.15Å; V205-L209 HydrophobicContact CG1-CD1 3.39Å; V205-L209 HydrophobicContact CG1-CG 3.98Å; V205-L209 WeakPolarHBondContact O-CB 3.37Å; V205-L209 PolarHBondContact O-N 2.79Å; V205-A226 HydrophobicContact CG2-CB 3.39Å |
| 206 | D | 92.4 | Very high | 87.2 | Confident | 82 Ų | 82 | 67.5 Ų | 67.5 | 44% | 0.439 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62.7 | -29.7 | 174.5 | -73.7 | -26.2 | 0 | 0 | 0 | 112.5 | L191 Y202 | L191-D206 WeakPolarHBondContact CD2-OD1 3.28Å; Y202-D206 VanDerWaalsContact O-CB 3.29Å; Y202-D206 WeakPolarHBondContact O-CB 3.48Å; Y202-D206 PolarHBondContact O-N 2.88Å |
| 207 | S | 88.8 | Confident | 87.2 | Confident | 74 Ų | 74 | 73.6 Ų | 73.6 | 52% | 0.517 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -74.3 | -37.4 | 175.4 | 78.1 | 0 | 0 | 0 | 0 | 112.3 | I204 V205 | I204-S207 PolarHBondContact O-N 2.69Å; I204-S207 PolarHBondContact O-OG 3.15Å; V205-S207 PolarHBondContact O-N 2.96Å |
| 208 | G | 81.1 | Confident | 87.2 | Confident | 11 Ų | 11 | 78 Ų | 78 | 11% | 0.113 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -81.7 | -37.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | I204 V205 K210 Q211 | I204-G208 PolarHBondContact O-N 3.33Å; I204-G208 VanDerWaalsContact O-N 3.12Å; V205-G208 PolarHBondContact O-N 3.15Å; V205-G208 VanDerWaalsContact O-N 3.15Å; G208-K210 PolarHBondContact O-N 3.29Å; G208-K210 VanDerWaalsContact O-N 3.1Å; G208-Q211 PolarHBondContact O-N 3.16Å |
| 209 | L | 77.4 | Confident | 87.1 | Confident | 52 Ų | 52 | 77 Ų | 77 | 27% | 0.272 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -10.7 | -179.4 | -86.6 | 168.1 | 0 | 0 | 0 | 114.4 | F72 L191 V205 Q211 L214 L222 | F72-L209 HydrophobicContact CB-CD1 4.36Å; F72-L209 HydrophobicContact CD2-CD2 4Å; F72-L209 HydrophobicContact CE2-CD2 4.42Å; L191-L209 HydrophobicContact CB-CD1 4.5Å; L191-L209 HydrophobicContact CD1-CD1 4.36Å; L191-L209 HydrophobicContact CD2-CD1 4.08Å; V205-L209 HydrophobicContact CG1-CD1 3.39Å; V205-L209 HydrophobicContact CG1-CG 3.98Å; V205-L209 WeakPolarHBondContact O-CB 3.37Å; V205-L209 PolarHBondContact O-N 2.79Å; L209-Q211 PolarHBondContact O-N 3.48Å; L209-L214 HydrophobicContact CD2-CD1 4.06Å; L209-L222 HydrophobicContact CG-CD2 4.42Å |
| 210 | K | 69.6 | Low | 87.1 | Confident | 174 Ų | 174 | 70.7 Ų | 70.7 | 76% | 0.757 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -21.8 | 173.2 | -70.5 | 179.4 | -176.2 | 178.9 | 0 | 112.5 | G208 K212 | G208-K210 PolarHBondContact O-N 3.29Å; G208-K210 VanDerWaalsContact O-N 3.1Å; K210-K212 PolarHBondContact O-N 3.33Å |
| 211 | Q | 63 | Low | 87.1 | Confident | 122 Ų | 122 | 67.5 Ų | 67.5 | 57% | 0.57 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -75.1 | 113.4 | 173.3 | -65.8 | 169.4 | -7.8 | 0 | 0 | 108.6 | G208 L209 D213 L214 | G208-Q211 PolarHBondContact O-N 3.16Å; L209-Q211 PolarHBondContact O-N 3.48Å; Q211-D213 PolarHBondContact O-N 2.85Å; Q211-L214 HydrophobicContact CB-CG 4.48Å |
| 212 | K | 59.7 | Low | 87 | Confident | 187 Ų | 187 | 68.3 Ų | 68.3 | 81% | 0.813 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -68.4 | -21 | -170.9 | -76.4 | -174.6 | 175.2 | -179.1 | 0 | 114 | Q75 K210 | Q75-K212 PolarHBondContact NE2-O 2.71Å; K210-K212 PolarHBondContact O-N 3.33Å |
| 213 | D | 80.4 | Confident | 87 | Confident | 121 Ų | 121 | 64.9 Ų | 64.9 | 65% | 0.647 | 34% | 0.341 | S | S | * | . | trans | -129.4 | 82.2 | -174.3 | -51.9 | -54.9 | 0 | 0 | 0 | 110.4 | Q75 Q211 | Q75-D213 PolarHBondContact NE2-OD1 3.24Å; Q211-D213 PolarHBondContact O-N 2.85Å | ||
| 214 | L | 86.8 | Confident | 87.1 | Confident | 9 Ų | 9 | 64.8 Ų | 64.8 | 5% | 0.047 | 33% | 0.326 | C | S | . | . | trans | -87.1 | 126.5 | 175.8 | -77.2 | 154.8 | 0 | 0 | 0 | 110.2 | L209 Q211 E218 A219 L222 | L209-L214 HydrophobicContact CD2-CD1 4.06Å; Q211-L214 HydrophobicContact CB-CG 4.48Å; L214-E218 HydrophobicContact CD2-CB 3.89Å; L214-A219 HydrophobicContact CB-CB 4.42Å; L214-L222 HydrophobicContact CD1-CD2 4.36Å | ||
| 215 | T | 93.3 | Very high | 87.2 | Confident | 67 Ų | 67 | 67.4 Ų | 67.4 | 41% | 0.411 | 33% | 0.333 | S | S | . | . | trans | -66.3 | 161.8 | 166.8 | 63.9 | 0 | 0 | 0 | 0 | 110.6 | E217 E218 A219 | T215-E217 VanDerWaalsContact C-N 3.26Å; T215-E217 PolarHBondContact O-N 3.14Å; T215-E218 WeakPolarHBondContact CB-OE2 3.23Å; T215-E218 WeakPolarHBondContact CG2-OE2 3.21Å; T215-E218 PolarHBondContact N-OE2 3.24Å; T215-E218 PolarHBondContact O-N 2.87Å; T215-E218 WeakPolarHBondContact OG1-CB 3.29Å; T215-E218 WeakPolarHBondContact OG1-CG 3.39Å; T215-E218 PolarHBondContact OG1-N 2.59Å; T215-E218 PolarHBondContact OG1-OE2 2.91Å; T215-A219 WeakPolarHBondContact O-CB 3.44Å; T215-A219 PolarHBondContact O-N 3.32Å | ||
| 216 | V | 92.9 | Very high | 87.3 | Confident | 53 Ų | 53 | 67.4 Ų | 67.4 | 32% | 0.321 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -59.2 | -40.1 | 178.2 | 179.8 | 0 | 0 | 0 | 0 | 111.2 | F74 H76 A219 C220 | F74-V216 HydrophobicContact CE2-CG2 4.22Å; F74-V216 HydrophobicContact CZ-CG2 4.33Å; H76-V216 HydrophobicContact CB-CG2 3.74Å; V216-A219 PolarHBondContact O-N 3.27Å; V216-C220 WeakPolarHBondContact O-CB 3.31Å; V216-C220 PolarHBondContact O-N 3.4Å; V216-C220 PolarHBondContact O-SG 2.8Å |
| 217 | E | 93.6 | Very high | 87.6 | Confident | 163 Ų | 163 | 63.5 Ų | 63.5 | 76% | 0.762 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -67.8 | -44.7 | -179.7 | -65.4 | -178.4 | -179.9 | 0 | 0 | 112 | T215 C220 D221 | T215-E217 VanDerWaalsContact C-N 3.26Å; T215-E217 PolarHBondContact O-N 3.14Å; E217-C220 WeakPolarHBondContact O-CB 3.48Å; E217-C220 PolarHBondContact O-N 3.1Å; E217-D221 PolarHBondContact O-N 3.28Å |
| 218 | E | 93.2 | Very high | 87.9 | Confident | 94 Ų | 94 | 60.6 Ų | 60.6 | 44% | 0.439 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -64.2 | -40.2 | 176 | -71 | 165.1 | 151.2 | 0 | 0 | 111.8 | L214 T215 D221 L222 | L214-E218 HydrophobicContact CD2-CB 3.89Å; T215-E218 WeakPolarHBondContact CB-OE2 3.23Å; T215-E218 WeakPolarHBondContact CG2-OE2 3.21Å; T215-E218 PolarHBondContact N-OE2 3.24Å; T215-E218 PolarHBondContact O-N 2.87Å; T215-E218 WeakPolarHBondContact OG1-CB 3.29Å; T215-E218 WeakPolarHBondContact OG1-CG 3.39Å; T215-E218 PolarHBondContact OG1-N 2.59Å; T215-E218 PolarHBondContact OG1-OE2 2.91Å; E218-D221 PolarHBondContact O-N 2.84Å; E218-L222 WeakPolarHBondContact O-CB 3.36Å; E218-L222 PolarHBondContact O-N 3.32Å |
| 219 | A | 93.9 | Very high | 88.7 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.9 | -42.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | F72 F74 I79 L214 T215 V216 D221 L222 G223 | F72-A219 HydrophobicContact CE2-CB 4.2Å; F72-A219 HydrophobicContact CZ-CB 4.28Å; F72-A219 WeakPolarHBondContact CZ-O 3.29Å; F74-A219 HydrophobicContact CD1-CB 4.46Å; F74-A219 HydrophobicContact CD2-CB 3.9Å; F74-A219 HydrophobicContact CE1-CB 4.41Å; F74-A219 HydrophobicContact CE2-CB 3.78Å; F74-A219 HydrophobicContact CG-CB 4.24Å; F74-A219 HydrophobicContact CZ-CB 4.07Å; I79-A219 HydrophobicContact CD1-CB 4.49Å; I79-A219 HydrophobicContact CG1-CB 3.9Å; L214-A219 HydrophobicContact CB-CB 4.42Å; T215-A219 WeakPolarHBondContact O-CB 3.44Å; T215-A219 PolarHBondContact O-N 3.32Å; V216-A219 PolarHBondContact O-N 3.27Å; A219-D221 VanDerWaalsContact C-N 3.34Å; A219-D221 PolarHBondContact O-N 2.99Å; A219-L222 PolarHBondContact O-N 3.01Å; A219-G223 PolarHBondContact O-N 3.45Å |
| 220 | C | 94.9 | Very high | 89.6 | Confident | 7 Ų | 7 | 60.2 Ų | 60.2 | 5% | 0.047 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.4 | -41.9 | 174.3 | -69.3 | 0 | 0 | 0 | 0 | 111.5 | V216 E217 G223 R224 L243 | V216-C220 WeakPolarHBondContact O-CB 3.31Å; V216-C220 PolarHBondContact O-N 3.4Å; V216-C220 PolarHBondContact O-SG 2.8Å; E217-C220 WeakPolarHBondContact O-CB 3.48Å; E217-C220 PolarHBondContact O-N 3.1Å; C220-G223 PolarHBondContact O-N 3.06Å; C220-R224 WeakPolarHBondContact O-CB 3.25Å; C220-R224 PolarHBondContact O-N 3.47Å; C220-L243 HydrophobicContact CB-CD1 4.45Å; C220-L243 HydrophobicContact CB-CD2 3.83Å; C220-L243 WeakPolarHBondContact O-CD1 3.42Å; C220-L243 VanDerWaalsContact SG-CD2 3.54Å |
| 221 | D | 94.4 | Very high | 90.9 | Very high | 36 Ų | 36 | 52.8 Ų | 52.8 | 19% | 0.193 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -67.9 | -39.2 | 177.6 | -164.2 | 60.3 | 0 | 0 | 0 | 112.6 | E217 E218 A219 G223 R224 R225 | E217-D221 PolarHBondContact O-N 3.28Å; E218-D221 PolarHBondContact O-N 2.84Å; A219-D221 VanDerWaalsContact C-N 3.34Å; A219-D221 PolarHBondContact O-N 2.99Å; D221-G223 PolarHBondContact O-N 2.73Å; D221-R224 PolarHBondContact O-N 3.32Å; D221-R224 IonicContact OD1-NH1 3.3Å; D221-R224 PolarHBondContact OD1-NH1 3.47Å; D221-R225 VanDerWaalsContact O-CB 3.25Å; D221-R225 WeakPolarHBondContact O-CB 3.11Å; D221-R225 PolarHBondContact O-N 3.35Å; D221-R225 IonicContact OD2-CZ 2.91Å; D221-R225 VanDerWaalsContact OD2-CZ 3.3Å; D221-R225 IonicContact OD2-NE 2.75Å; D221-R225 IonicContact OD2-NH2 2.59Å; D221-R225 PolarHBondContact OD2-NH2 3.46Å |
| 222 | L | 94.6 | Very high | 92.4 | Very high | 18 Ų | 18 | 53.5 Ų | 53.5 | 9% | 0.094 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -58.6 | -48.1 | 174.2 | -178.5 | 61.6 | 0 | 0 | 0 | 111.4 | F72 I204 L209 L214 E218 A219 R225 A226 | F72-L222 HydrophobicContact CZ-CD2 4.33Å; I204-L222 HydrophobicContact CG2-CD1 4.23Å; L209-L222 HydrophobicContact CG-CD2 4.42Å; L214-L222 HydrophobicContact CD1-CD2 4.36Å; E218-L222 WeakPolarHBondContact O-CB 3.36Å; E218-L222 PolarHBondContact O-N 3.32Å; A219-L222 PolarHBondContact O-N 3.01Å; L222-R225 PolarHBondContact O-N 2.83Å; L222-A226 VanDerWaalsContact O-CB 3.31Å; L222-A226 WeakPolarHBondContact O-CB 3.2Å; L222-A226 PolarHBondContact O-N 2.68Å |
| 223 | G | 95.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.8 | -43.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | A219 C220 D221 A226 I227 | A219-G223 PolarHBondContact O-N 3.45Å; C220-G223 PolarHBondContact O-N 3.06Å; D221-G223 PolarHBondContact O-N 2.73Å; G223-A226 PolarHBondContact O-N 3.01Å; G223-I227 PolarHBondContact O-N 3.08Å; G223-I227 VanDerWaalsContact O-N 3.16Å |
| 224 | R | 96.1 | Very high | 94.9 | Very high | 46 Ų | 46 | 47.8 Ų | 47.8 | 17% | 0.174 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.9 | -46.7 | 176.9 | -176.3 | -171.8 | -63 | 120.4 | 1.6 | 111.9 | C220 D221 Y228 L243 L262 | C220-R224 WeakPolarHBondContact O-CB 3.25Å; C220-R224 PolarHBondContact O-N 3.47Å; D221-R224 PolarHBondContact O-N 3.32Å; D221-R224 IonicContact OD1-NH1 3.3Å; D221-R224 PolarHBondContact OD1-NH1 3.47Å; R224-Y228 WeakPolarHBondContact O-CB 3.38Å; R224-Y228 PolarHBondContact O-N 3.01Å; R224-L243 HydrophobicContact CB-CD1 4.19Å; R224-L262 HydrophobicContact CG-CD1 3.69Å; R224-L262 HydrophobicContact CG-CD2 4.18Å |
| 225 | R | 95.4 | Very high | 95.3 | Very high | 99 Ų | 99 | 50.9 Ų | 50.9 | 37% | 0.374 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -66.1 | -38.6 | 179.8 | -167.6 | 176.8 | -62.4 | 172.9 | -2.8 | 111.7 | D221 L222 Y228 Q229 | D221-R225 VanDerWaalsContact O-CB 3.25Å; D221-R225 WeakPolarHBondContact O-CB 3.11Å; D221-R225 PolarHBondContact O-N 3.35Å; D221-R225 IonicContact OD2-CZ 2.91Å; D221-R225 VanDerWaalsContact OD2-CZ 3.3Å; D221-R225 IonicContact OD2-NE 2.75Å; D221-R225 IonicContact OD2-NH2 2.59Å; D221-R225 PolarHBondContact OD2-NH2 3.46Å; L222-R225 PolarHBondContact O-N 2.83Å; R225-Y228 PolarHBondContact O-N 3.34Å; R225-Q229 WeakPolarHBondContact O-CG 3.41Å; R225-Q229 PolarHBondContact O-N 3.28Å |
| 226 | A | 96.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.3 | -49.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L70 I204 V205 L222 G223 Q229 A230 | L70-A226 HydrophobicContact CD2-CB 3.78Å; I204-A226 HydrophobicContact CB-CB 4.1Å; I204-A226 HydrophobicContact CG2-CB 4.05Å; V205-A226 HydrophobicContact CG2-CB 3.39Å; L222-A226 VanDerWaalsContact O-CB 3.31Å; L222-A226 WeakPolarHBondContact O-CB 3.2Å; L222-A226 PolarHBondContact O-N 2.68Å; G223-A226 PolarHBondContact O-N 3.01Å; A226-Q229 PolarHBondContact O-N 3.33Å; A226-A230 PolarHBondContact O-N 2.92Å |
| 227 | I | 97.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64 | -43.4 | 175.5 | -62.4 | -59.9 | 0 | 0 | 0 | 110.7 | T68 L70 A81 D83 G223 Q229 A230 T231 V241 | T68-I227 HydrophobicContact CG2-CD1 3.62Å; L70-I227 HydrophobicContact CB-CD1 3.99Å; A81-I227 HydrophobicContact CB-CD1 4.42Å; A81-I227 HydrophobicContact CB-CG1 3.68Å; D83-I227 HydrophobicContact CB-CG2 4.1Å; G223-I227 PolarHBondContact O-N 3.08Å; G223-I227 VanDerWaalsContact O-N 3.16Å; I227-Q229 PolarHBondContact O-N 3.46Å; I227-A230 WeakPolarHBondContact O-CB 3.16Å; I227-A230 PolarHBondContact O-N 3.21Å; I227-A230 VanDerWaalsContact O-N 3.16Å; I227-T231 HydrophobicContact CG2-CG2 4.02Å; I227-T231 WeakPolarHBondContact O-CG2 3.17Å; I227-T231 PolarHBondContact O-N 3.3Å; I227-T231 PolarHBondContact O-OG1 3.37Å; I227-V241 HydrophobicContact CB-CG1 3.96Å; I227-V241 HydrophobicContact CB-CG2 4.29Å; I227-V241 HydrophobicContact CG1-CG1 4.36Å; I227-V241 HydrophobicContact CG2-CB 4.39Å; I227-V241 HydrophobicContact CG2-CG1 4Å; I227-V241 HydrophobicContact CG2-CG2 3.76Å |
| 228 | Y | 96.9 | Very high | 95.5 | Very high | 14 Ų | 14 | 41.6 Ų | 41.6 | 6% | 0.055 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -54.3 | -49.6 | 176.5 | 165.5 | -102.3 | 0 | 0 | 0 | 112.3 | R224 R225 A230 T231 Y232 V259 L262 H263 Y266 | R224-Y228 WeakPolarHBondContact O-CB 3.38Å; R224-Y228 PolarHBondContact O-N 3.01Å; R225-Y228 PolarHBondContact O-N 3.34Å; Y228-A230 VanDerWaalsContact C-N 3.33Å; Y228-A230 PolarHBondContact O-N 2.91Å; Y228-T231 WeakPolarHBondContact CA-OG1 3.34Å; Y228-T231 PolarHBondContact O-N 3.43Å; Y228-T231 PolarHBondContact O-OG1 2.71Å; Y228-Y232 PolarHBondContact O-N 3.06Å; Y228-V259 HydrophobicContact CD2-CG1 4.12Å; Y228-V259 HydrophobicContact CE2-CG1 4.48Å; Y228-L262 HydrophobicContact CD2-CB 4.14Å; Y228-H263 HydrophobicContact CE2-CB 3.87Å; Y228-H263 AromaticContact CZ-ND1 3.84Å; Y228-H263 PolarHBondContact OH-ND1 3.35Å; Y228-Y266 AromaticContact CD1-CD2 3.48Å; Y228-Y266 HydrophobicContact CD1-CD2 3.48Å; Y228-Y266 VanDerWaalsContact CD1-CD2 3.48Å; Y228-Y266 AromaticContact CD1-CE2 3.62Å; Y228-Y266 HydrophobicContact CD1-CE2 3.62Å; Y228-Y266 HydrophobicContact CD2-CD2 4.2Å; Y228-Y266 HydrophobicContact CD2-CE2 4.31Å; Y228-Y266 AromaticContact CE1-CD2 3.52Å; Y228-Y266 HydrophobicContact CE1-CD2 3.52Å; Y228-Y266 HydrophobicContact CE1-CE2 4.16Å; Y228-Y266 HydrophobicContact CE1-CG 4.37Å; Y228-Y266 HydrophobicContact CE2-CD2 4.25Å; Y228-Y266 AromaticContact CG-CD2 3.84Å; Y228-Y266 HydrophobicContact CG-CD2 3.84Å; Y228-Y266 AromaticContact CG-CE2 3.71Å; Y228-Y266 HydrophobicContact CG-CE2 3.71Å; Y228-Y266 AromaticContact CZ-CD2 3.92Å |
| 229 | Q | 96.3 | Very high | 95.6 | Very high | 55 Ų | 55 | 37.4 Ų | 37.4 | 26% | 0.257 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -64.8 | -37 | 178.7 | -66.7 | -63.2 | -17.6 | 0 | 0 | 112.5 | I204 R225 A226 I227 Y232 R233 | I204-Q229 HydrophobicContact CD1-CB 4.24Å; I204-Q229 HydrophobicContact CD1-CG 3.9Å; I204-Q229 HydrophobicContact CG1-CB 3.87Å; I204-Q229 HydrophobicContact CG1-CG 3.93Å; R225-Q229 WeakPolarHBondContact O-CG 3.41Å; R225-Q229 PolarHBondContact O-N 3.28Å; A226-Q229 PolarHBondContact O-N 3.33Å; I227-Q229 PolarHBondContact O-N 3.46Å; Q229-Y232 PolarHBondContact O-N 3.5Å; Q229-R233 PolarHBondContact O-N 3.2Å |
| 230 | A | 96.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.7 | -47.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | T68 A201 A226 I227 Y228 Y232 R233 D234 | T68-A230 HydrophobicContact CG2-CB 3.74Å; A201-A230 HydrophobicContact CB-CB 4.46Å; A226-A230 PolarHBondContact O-N 2.92Å; I227-A230 WeakPolarHBondContact O-CB 3.16Å; I227-A230 PolarHBondContact O-N 3.21Å; I227-A230 VanDerWaalsContact O-N 3.16Å; Y228-A230 VanDerWaalsContact C-N 3.33Å; Y228-A230 PolarHBondContact O-N 2.91Å; A230-Y232 PolarHBondContact O-N 3Å; A230-R233 PolarHBondContact O-N 3.41Å; A230-R233 VanDerWaalsContact O-N 3.14Å; A230-D234 WeakPolarHBondContact O-CB 3.28Å; A230-D234 PolarHBondContact O-N 3.2Å |
| 231 | T | 96.5 | Very high | 95.9 | Very high | 17 Ų | 17 | 39.1 Ų | 39.1 | 10% | 0.104 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65.3 | -24.7 | 177.1 | 61.3 | 0 | 0 | 0 | 0 | 113.8 | D83 I227 Y228 V259 | D83-T231 HydrophobicContact CB-CG2 4.03Å; I227-T231 HydrophobicContact CG2-CG2 4.02Å; I227-T231 WeakPolarHBondContact O-CG2 3.17Å; I227-T231 PolarHBondContact O-N 3.3Å; I227-T231 PolarHBondContact O-OG1 3.37Å; Y228-T231 WeakPolarHBondContact CA-OG1 3.34Å; Y228-T231 PolarHBondContact O-N 3.43Å; Y228-T231 PolarHBondContact O-OG1 2.71Å; T231-V259 HydrophobicContact CG2-CG2 4.3Å; T231-V259 WeakPolarHBondContact OG1-CG1 3.42Å |
| 232 | Y | 95.8 | Very high | 96 | Very high | 138 Ų | 138 | 37.6 Ų | 37.6 | 54% | 0.541 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -73.3 | -29.6 | 175.7 | -174.9 | -100.9 | 0 | 0 | 0 | 112.5 | Y228 Q229 A230 | Y228-Y232 PolarHBondContact O-N 3.06Å; Q229-Y232 PolarHBondContact O-N 3.5Å; A230-Y232 PolarHBondContact O-N 3Å |
| 233 | R | 95.9 | Very high | 96.1 | Very high | 172 Ų | 172 | 36.8 Ų | 36.8 | 65% | 0.649 | 17% | 0.166 | S | C | * | . | H | α-helix | trans | -102.2 | -39.3 | -176.9 | -69.3 | -63.2 | -170.5 | 169.3 | -0.3 | 113.8 | Y200 Q229 A230 | Y200-R233 HydrophobicContact CD1-CB 3.9Å; Y200-R233 HydrophobicContact CD1-CG 4.23Å; Y200-R233 HydrophobicContact CD2-CB 3.95Å; Y200-R233 HydrophobicContact CE1-CB 3.77Å; Y200-R233 HydrophobicContact CE1-CG 4.25Å; Y200-R233 HydrophobicContact CE2-CB 3.84Å; Y200-R233 HydrophobicContact CG-CB 3.99Å; Q229-R233 PolarHBondContact O-N 3.2Å; A230-R233 PolarHBondContact O-N 3.41Å; A230-R233 VanDerWaalsContact O-N 3.14Å |
| 234 | D | 96.1 | Very high | 96.2 | Very high | 16 Ų | 16 | 36.9 Ų | 36.9 | 9% | 0.086 | 17% | 0.167 | C | C | . | . | trans | -86.4 | 119.7 | -179.6 | 178.8 | 25.7 | 0 | 0 | 0 | 111.1 | S196 G197 Y200 A230 Y236 S237 | S196-D234 WeakPolarHBondContact CB-OD2 3.45Å; S196-D234 PolarHBondContact OG-OD2 2.8Å; G197-D234 PolarHBondContact N-OD2 3.24Å; G197-D234 VanDerWaalsContact N-OD2 3.16Å; Y200-D234 HydrophobicContact CD2-CB 4.07Å; Y200-D234 HydrophobicContact CE2-CB 3.94Å; A230-D234 WeakPolarHBondContact O-CB 3.28Å; A230-D234 PolarHBondContact O-N 3.2Å; D234-Y236 PolarHBondContact O-N 2.97Å; D234-Y236 PolarHBondContact OD1-N 3.37Å; D234-S237 PolarHBondContact O-N 2.88Å; D234-S237 WeakPolarHBondContact OD2-CB 3.24Å; D234-S237 PolarHBondContact OD2-N 2.78Å; D234-S237 PolarHBondContact OD2-OG 3.02Å | ||
| 235 | A | 94.1 | Very high | 96.3 | Very high | 74 Ų | 74 | 35.7 Ų | 35.7 | 61% | 0.612 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63 | -31.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | R85 | R85-A235 PolarHBondContact NH1-O 3.32Š|
| 236 | Y | 94.1 | Very high | 96.4 | Very high | 85 Ų | 85 | 31 Ų | 31 | 33% | 0.333 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | -7.7 | -174.4 | -57.4 | -76 | 0 | 0 | 0 | 114 | R85 T87 G89 D234 | R85-Y236 WeakPolarHBondContact CD-O 3.04Å; T87-Y236 HydrophobicContact CG2-CD1 4.07Å; G89-Y236 WeakPolarHBondContact O-CE1 3.35Å; D234-Y236 PolarHBondContact O-N 2.97Å; D234-Y236 PolarHBondContact OD1-N 3.37Å |
| 237 | S | 95.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 15% | 0.154 | C | C | . | . | trans | -100.9 | 142.4 | 175.4 | -64 | 0 | 0 | 0 | 0 | 110.9 | T68 D83 R85 D234 | T68-S237 PolarHBondContact N-OG 2.94Å; T68-S237 WeakPolarHBondContact OG1-CB 3.22Å; T68-S237 PolarHBondContact OG1-OG 3.38Å; D83-S237 WeakPolarHBondContact OD2-CA 3.44Å; R85-S237 PolarHBondContact NH1-O 3.3Å; D234-S237 PolarHBondContact O-N 2.88Å; D234-S237 WeakPolarHBondContact OD2-CB 3.24Å; D234-S237 PolarHBondContact OD2-N 2.78Å; D234-S237 PolarHBondContact OD2-OG 3.02Å | ||
| 238 | G | 95.6 | Very high | 96.2 | Very high | 2 Ų | 2 | 36.4 Ų | 36.4 | 2% | 0.021 | 18% | 0.179 | C | C | . | . | trans | 163.7 | -157.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | D83 S84 R85 Q240 | D83-G238 PolarHBondContact OD2-N 3.01Å; S84-G238 PolarHBondContact N-O 2.92Å; S84-G238 VanDerWaalsContact N-O 3.08Å; R85-G238 WeakPolarHBondContact CB-O 2.8Å; R85-G238 PolarHBondContact N-O 3.26Å; G238-Q240 PolarHBondContact O-N 3.08Å | ||
| 239 | G | 95.5 | Very high | 96 | Very high | 6 Ų | 6 | 43.5 Ų | 43.5 | 6% | 0.062 | 21% | 0.213 | C | C | . | . | S | Bend | trans | 82 | -106.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | V259 | G239-V259 WeakPolarHBondContact O-CB 3.18Å; G239-V259 VanDerWaalsContact O-CG2 3.22Å; G239-V259 WeakPolarHBondContact O-CG2 3.34Å; G239-V259 PolarHBondContact O-N 3.09Å; G239-V259 VanDerWaalsContact O-N 3.09Å |
| 240 | Q | 96.4 | Very high | 95.9 | Very high | 42 Ų | 42 | 41.1 Ų | 41.1 | 20% | 0.196 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 146.4 | -174.3 | -59.7 | 174.7 | -15 | 0 | 0 | 110.2 | D83 S84 G238 Q256 S257 | D83-Q240 CarbonylContact C-O 3.46Å; D83-Q240 WeakPolarHBondContact CA-O 3.39Å; S84-Q240 PolarHBondContact N-O 2.59Å; S84-Q240 WeakPolarHBondContact OG-CA 3.34Å; S84-Q240 WeakPolarHBondContact OG-CB 3.49Å; S84-Q240 PolarHBondContact OG-N 3.5Å; S84-Q240 PolarHBondContact OG-O 3.39Å; G238-Q240 PolarHBondContact O-N 3.08Å; Q240-Q256 HydrophobicContact CB-CG 4.44Å; Q240-S257 CarbonylContact C-O 3.48Å; Q240-S257 WeakPolarHBondContact CA-O 3.11Å |
| 241 | V | 97.4 | Very high | 95.9 | Very high | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.006 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 114.1 | 173.7 | -173.6 | 0 | 0 | 0 | 0 | 108.2 | V82 I227 Q256 S257 V259 L262 | V82-V241 WeakPolarHBondContact O-CA 3.22Å; I227-V241 HydrophobicContact CB-CG1 3.96Å; I227-V241 HydrophobicContact CB-CG2 4.29Å; I227-V241 HydrophobicContact CG1-CG1 4.36Å; I227-V241 HydrophobicContact CG2-CB 4.39Å; I227-V241 HydrophobicContact CG2-CG1 4Å; I227-V241 HydrophobicContact CG2-CG2 3.76Å; V241-Q256 WeakPolarHBondContact O-CA 3.37Å; V241-S257 PolarHBondContact N-O 3.48Å; V241-S257 PolarHBondContact O-N 2.99Å; V241-V259 HydrophobicContact CG2-CG2 3.83Å; V241-L262 HydrophobicContact CB-CD1 4.32Å; V241-L262 HydrophobicContact CG2-CD1 3.81Å |
| 242 | N | 97.4 | Very high | 95.9 | Very high | 4 Ų | 4 | 45.8 Ų | 45.8 | 2% | 0.021 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 126.5 | 171.8 | -68.9 | -72.4 | 0 | 0 | 0 | 109.1 | A81 V82 Y244 R253 Q256 | A81-N242 WeakPolarHBondContact CA-O 3.28Å; V82-N242 HydrophobicContact CG2-CB 3.88Å; V82-N242 PolarHBondContact N-O 3.43Å; V82-N242 PolarHBondContact O-N 2.95Å; N242-Y244 HydrophobicContact CB-CE2 4.13Å; N242-R253 PolarHBondContact OD1-NH2 3.3Å; N242-Q256 WeakPolarHBondContact OD1-CG 3.36Å |
| 243 | L | 97.1 | Very high | 96 | Very high | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 131.1 | -177.6 | -159.7 | 138.4 | 0 | 0 | 0 | 111 | I79 V80 A81 C220 R224 V254 S255 | I79-L243 HydrophobicContact CG2-CD1 4.3Å; I79-L243 HydrophobicContact CG2-CD2 4.21Å; I79-L243 HydrophobicContact CG2-CG 4.2Å; V80-L243 WeakPolarHBondContact O-CA 3.5Å; A81-L243 HydrophobicContact CB-CD1 4.23Å; A81-L243 HydrophobicContact CB-CG 4.49Å; C220-L243 HydrophobicContact CB-CD1 4.45Å; C220-L243 HydrophobicContact CB-CD2 3.83Å; C220-L243 WeakPolarHBondContact O-CD1 3.42Å; C220-L243 VanDerWaalsContact SG-CD2 3.54Å; R224-L243 HydrophobicContact CB-CD1 4.19Å; L243-V254 HydrophobicContact CB-CB 4.5Å; L243-V254 HydrophobicContact CD2-CB 3.61Å; L243-V254 HydrophobicContact CD2-CG1 3.95Å; L243-V254 HydrophobicContact CD2-CG2 3.7Å; L243-V254 PolarHBondContact O-N 3.45Å; L243-S255 PolarHBondContact N-O 3.33Å; L243-S255 PolarHBondContact O-N 2.89Å |
| 244 | Y | 98.1 | Very high | 95.9 | Very high | 3 Ų | 3 | 38.7 Ų | 38.7 | 1% | 0.012 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 145 | 178.7 | -67.5 | -102.1 | 0 | 0 | 0 | 109.6 | V80 V100 L108 N242 W251 T252 R253 | V80-Y244 PolarHBondContact N-O 3.05Å; V80-Y244 PolarHBondContact O-N 3.03Å; V100-Y244 HydrophobicContact CB-CD2 4.03Å; V100-Y244 HydrophobicContact CB-CE2 3.63Å; V100-Y244 HydrophobicContact CG1-CD2 3.99Å; V100-Y244 HydrophobicContact CG1-CE1 4.44Å; V100-Y244 HydrophobicContact CG1-CE2 3.87Å; V100-Y244 HydrophobicContact CG1-CG 4.33Å; V100-Y244 HydrophobicContact CG2-CD2 3.75Å; V100-Y244 HydrophobicContact CG2-CE2 3.72Å; L108-Y244 HydrophobicContact CD1-CD1 4.05Å; L108-Y244 HydrophobicContact CD1-CG 4.01Å; N242-Y244 HydrophobicContact CB-CE2 4.13Å; Y244-W251 AromaticContact CD1-CE3 3.73Å; Y244-W251 HydrophobicContact CD1-CE3 3.73Å; Y244-W251 HydrophobicContact CD1-CZ3 4.02Å; Y244-W251 AromaticContact CE1-CE3 3.98Å; Y244-W251 HydrophobicContact CE1-CE3 3.98Å; Y244-W251 AromaticContact CE1-CZ3 3.78Å; Y244-W251 HydrophobicContact CE1-CZ3 3.78Å; Y244-T252 WeakPolarHBondContact CA-O 3.46Å; Y244-R253 HydrophobicContact CD1-CB 4Å; Y244-R253 HydrophobicContact CD1-CG 4.24Å; Y244-R253 HydrophobicContact CE1-CB 3.73Å; Y244-R253 HydrophobicContact CE1-CG 3.77Å; Y244-R253 HydrophobicContact CE2-CG 4.46Å |
| 245 | H | 97.8 | Very high | 95.8 | Very high | 20 Ų | 20 | 39.1 Ų | 39.1 | 9% | 0.093 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 122.5 | 173.8 | 173.9 | -143.2 | 0 | 0 | 0 | 108.9 | F74 H76 I79 W251 T252 V254 | F74-H245 AromaticContact CZ-NE2 3.77Å; H76-H245 PolarHBondContact O-NE2 3.12Å; I79-H245 HydrophobicContact CD1-CB 4Å; H245-W251 CarbonylContact O-C 3.42Å; H245-W251 VanDerWaalsContact O-CA 3.29Å; H245-W251 WeakPolarHBondContact O-CA 3.47Å; H245-T252 PolarHBondContact N-O 3.2Å; H245-T252 PolarHBondContact O-N 3.14Å; H245-V254 HydrophobicContact CB-CG2 3.62Å |
| 246 | V | 97.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 121.6 | 174.5 | -175.5 | 0 | 0 | 0 | 0 | 108.3 | G77 V78 V80 L108 C168 W170 W251 | G77-V246 WeakPolarHBondContact CA-O 3.16Å; V78-V246 HydrophobicContact CB-CB 4.01Å; V78-V246 HydrophobicContact CB-CG2 4.3Å; V78-V246 HydrophobicContact CG2-CB 4.42Å; V78-V246 PolarHBondContact N-O 3.29Å; V78-V246 PolarHBondContact O-N 3.06Å; V80-V246 HydrophobicContact CG2-CG2 4.46Å; L108-V246 HydrophobicContact CD1-CG2 3.81Å; L108-V246 HydrophobicContact CG-CG2 4.43Å; C168-V246 HydrophobicContact CB-CG2 4.47Å; W170-V246 HydrophobicContact CB-CG1 4.32Å; V246-W251 HydrophobicContact CG2-CB 4.19Å |
| 247 | H | 95.4 | Very high | 95.9 | Very high | 39 Ų | 39 | 37.5 Ų | 37.5 | 18% | 0.181 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | -177.8 | 178.5 | 54.7 | 91.9 | 0 | 0 | 0 | 110.5 | W170 E249 G250 T252 | W170-H247 VanDerWaalsContact CB-O 3.29Å; W170-H247 WeakPolarHBondContact CB-O 3.47Å; H247-E249 VanDerWaalsContact C-N 3.27Å; H247-E249 PolarHBondContact ND1-N 2.81Å; H247-E249 PolarHBondContact O-N 3.32Å; H247-G250 CarbonylContact C-O 3.57Å; H247-G250 PolarHBondContact N-O 2.71Å; H247-G250 PolarHBondContact O-N 3Å; H247-T252 WeakPolarHBondContact NE2-CG2 3.44Å |
| 248 | S | 93.6 | Very high | 96 | Very high | 76 Ų | 76 | 40.5 Ų | 40.5 | 53% | 0.531 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -30.1 | -173.6 | 53.1 | 0 | 0 | 0 | 0 | 114.9 | ||
| 249 | E | 92.8 | Very high | 96 | Very high | 162 Ų | 162 | 41.6 Ų | 41.6 | 76% | 0.757 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | -19.4 | -177.5 | -57.8 | -176.6 | 164 | 0 | 0 | 113.1 | H247 | H247-E249 VanDerWaalsContact C-N 3.27Å; H247-E249 PolarHBondContact ND1-N 2.81Å; H247-E249 PolarHBondContact O-N 3.32Å |
| 250 | G | 94.5 | Very high | 95.9 | Very high | 5 Ų | 5 | 46.3 Ų | 46.3 | 5% | 0.052 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 156 | -145.7 | -174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | P105 H247 | P105-G250 WeakPolarHBondContact O-CA 3.47Å; H247-G250 CarbonylContact C-O 3.57Å; H247-G250 PolarHBondContact N-O 2.71Å; H247-G250 PolarHBondContact O-N 3Å |
| 251 | W | 97.3 | Very high | 95.8 | Very high | 52 Ų | 52 | 49.9 Ų | 49.9 | 20% | 0.197 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 150.2 | 172.5 | 58.9 | -99.7 | 0 | 0 | 0 | 111.3 | E102 N104 P105 L108 Y244 H245 V246 | E102-W251 HydrophobicContact CB-CH2 4.3Å; E102-W251 HydrophobicContact CB-CZ2 3.75Å; E102-W251 HydrophobicContact CG-CH2 3.56Å; E102-W251 HydrophobicContact CG-CZ2 3.48Å; E102-W251 VanDerWaalsContact CG-CZ2 3.48Å; E102-W251 HydrophobicContact CG-CZ3 4.38Å; E102-W251 WeakPolarHBondContact OE2-CH2 3.28Å; N104-W251 PolarHBondContact O-NE1 2.84Å; P105-W251 VanDerWaalsContact C-CD1 3.43Å; P105-W251 VanDerWaalsContact O-CD1 3.23Å; P105-W251 PolarHBondContact O-N 2.87Å; L108-W251 HydrophobicContact CD1-CB 3.88Å; L108-W251 HydrophobicContact CD1-CD2 4.46Å; L108-W251 HydrophobicContact CD1-CG 3.99Å; L108-W251 HydrophobicContact CD2-CD2 3.72Å; L108-W251 HydrophobicContact CD2-CE3 4.39Å; L108-W251 HydrophobicContact CD2-CG 3.72Å; L108-W251 HydrophobicContact CD2-CZ2 4.43Å; L108-W251 HydrophobicContact CG-CB 4.12Å; L108-W251 HydrophobicContact CG-CD2 4.31Å; L108-W251 HydrophobicContact CG-CG 3.81Å; Y244-W251 AromaticContact CD1-CE3 3.73Å; Y244-W251 HydrophobicContact CD1-CE3 3.73Å; Y244-W251 HydrophobicContact CD1-CZ3 4.02Å; Y244-W251 AromaticContact CE1-CE3 3.98Å; Y244-W251 HydrophobicContact CE1-CE3 3.98Å; Y244-W251 AromaticContact CE1-CZ3 3.78Å; Y244-W251 HydrophobicContact CE1-CZ3 3.78Å; H245-W251 CarbonylContact O-C 3.42Å; H245-W251 VanDerWaalsContact O-CA 3.29Å; H245-W251 WeakPolarHBondContact O-CA 3.47Å; V246-W251 HydrophobicContact CG2-CB 4.19Å |
| 252 | T | 97.2 | Very high | 95.7 | Very high | 64 Ų | 64 | 50 Ų | 50 | 39% | 0.393 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 140.7 | 172.5 | 47.7 | 0 | 0 | 0 | 0 | 109.9 | Y244 H245 H247 V254 | Y244-T252 WeakPolarHBondContact CA-O 3.46Å; H245-T252 PolarHBondContact N-O 3.2Å; H245-T252 PolarHBondContact O-N 3.14Å; H247-T252 WeakPolarHBondContact NE2-CG2 3.44Å; T252-V254 PolarHBondContact O-N 3.5Å |
| 253 | R | 96.4 | Very high | 95.5 | Very high | 97 Ų | 97 | 52.2 Ų | 52.2 | 37% | 0.366 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 111.7 | 171.3 | -172.5 | 178.7 | -173.6 | -155.4 | 3.7 | 108 | N242 Y244 | N242-R253 PolarHBondContact OD1-NH2 3.3Å; Y244-R253 HydrophobicContact CD1-CB 4Å; Y244-R253 HydrophobicContact CD1-CG 4.24Å; Y244-R253 HydrophobicContact CE1-CB 3.73Å; Y244-R253 HydrophobicContact CE1-CG 3.77Å; Y244-R253 HydrophobicContact CE2-CG 4.46Å |
| 254 | V | 95.2 | Very high | 95.4 | Very high | 64 Ų | 64 | 57.1 Ų | 57.1 | 39% | 0.388 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | -54.1 | -173.4 | 179.9 | 0 | 0 | 0 | 0 | 110.7 | L243 H245 T252 | L243-V254 HydrophobicContact CB-CB 4.5Å; L243-V254 HydrophobicContact CD2-CB 3.61Å; L243-V254 HydrophobicContact CD2-CG1 3.95Å; L243-V254 HydrophobicContact CD2-CG2 3.7Å; L243-V254 PolarHBondContact O-N 3.45Å; H245-V254 HydrophobicContact CB-CG2 3.62Å; T252-V254 PolarHBondContact O-N 3.5Å |
| 255 | S | 93.5 | Very high | 95.2 | Very high | 25 Ų | 25 | 61.2 Ų | 61.2 | 18% | 0.175 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.2 | 155.1 | -175.5 | 60.2 | 0 | 0 | 0 | 0 | 112.8 | L243 | L243-S255 PolarHBondContact N-O 3.33Å; L243-S255 PolarHBondContact O-N 2.89Å |
| 256 | Q | 95.1 | Very high | 95 | Very high | 96 Ų | 96 | 61 Ų | 61 | 45% | 0.449 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 103.3 | 166.1 | 179.5 | 176.2 | 14.7 | 0 | 0 | 107.4 | Q240 V241 N242 | Q240-Q256 HydrophobicContact CB-CG 4.44Å; V241-Q256 WeakPolarHBondContact O-CA 3.37Å; N242-Q256 WeakPolarHBondContact OD1-CG 3.36Å |
| 257 | S | 94.9 | Very high | 94.7 | Very high | 29 Ų | 29 | 66.4 Ų | 66.4 | 20% | 0.203 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 133.3 | -172.9 | -58.6 | 0 | 0 | 0 | 0 | 110.5 | Q240 V241 | Q240-S257 CarbonylContact C-O 3.48Å; Q240-S257 WeakPolarHBondContact CA-O 3.11Å; V241-S257 PolarHBondContact N-O 3.48Å; V241-S257 PolarHBondContact O-N 2.99Å |
| 258 | D | 96.7 | Very high | 94.6 | Very high | 63 Ų | 63 | 67.9 Ų | 67.9 | 34% | 0.337 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 135.3 | 174.8 | -165 | -71.4 | 0 | 0 | 0 | 110.9 | L260 M261 L262 | D258-L260 PolarHBondContact O-N 3.16Å; D258-L260 VanDerWaalsContact OD1-CB 3.28Å; D258-L260 WeakPolarHBondContact OD1-CB 3.26Å; D258-L260 PolarHBondContact OD1-N 3.37Å; D258-M261 HydrophobicContact CB-CB 4.43Å; D258-M261 HydrophobicContact CB-CG 4.09Å; D258-M261 PolarHBondContact O-N 3.21Å; D258-M261 VanDerWaalsContact O-N 3.16Å; D258-L262 WeakPolarHBondContact O-CG 3.4Å; D258-L262 PolarHBondContact O-N 3.17Å; D258-L262 VanDerWaalsContact O-N 3.09Å |
| 259 | V | 95.5 | Very high | 94.3 | Very high | 25 Ų | 25 | 69.5 Ų | 69.5 | 15% | 0.152 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -60.4 | -32.9 | -178.9 | 171.3 | 0 | 0 | 0 | 0 | 111.7 | Y228 T231 G239 V241 L262 H263 | Y228-V259 HydrophobicContact CD2-CG1 4.12Å; Y228-V259 HydrophobicContact CE2-CG1 4.48Å; T231-V259 HydrophobicContact CG2-CG2 4.3Å; T231-V259 WeakPolarHBondContact OG1-CG1 3.42Å; G239-V259 WeakPolarHBondContact O-CB 3.18Å; G239-V259 VanDerWaalsContact O-CG2 3.22Å; G239-V259 WeakPolarHBondContact O-CG2 3.34Å; G239-V259 PolarHBondContact O-N 3.09Å; G239-V259 VanDerWaalsContact O-N 3.09Å; V241-V259 HydrophobicContact CG2-CG2 3.83Å; V259-L262 PolarHBondContact O-N 3.08Å; V259-H263 WeakPolarHBondContact O-CB 3.34Å; V259-H263 PolarHBondContact O-N 3.26Å |
| 260 | L | 94.6 | Very high | 93.7 | Very high | 104 Ų | 104 | 70.2 Ų | 70.2 | 55% | 0.545 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -66.8 | -41.8 | 177.1 | 179.5 | 62.2 | 0 | 0 | 0 | 111.9 | D258 L262 H263 Q264 | D258-L260 PolarHBondContact O-N 3.16Å; D258-L260 VanDerWaalsContact OD1-CB 3.28Å; D258-L260 WeakPolarHBondContact OD1-CB 3.26Å; D258-L260 PolarHBondContact OD1-N 3.37Å; L260-L262 VanDerWaalsContact C-N 3.32Å; L260-H263 VanDerWaalsContact O-CB 3.32Å; L260-H263 WeakPolarHBondContact O-CB 3.25Å; L260-H263 PolarHBondContact O-N 2.81Å; L260-Q264 WeakPolarHBondContact O-CG 3.27Å; L260-Q264 PolarHBondContact O-N 2.93Å; L260-Q264 VanDerWaalsContact O-N 3.11Å |
| 261 | M | 94.9 | Very high | 92 | Very high | 117 Ų | 117 | 76.8 Ų | 76.8 | 58% | 0.576 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -66 | -39.9 | 177.5 | -64 | -59.2 | -63.2 | 0 | 0 | 110.7 | D258 H263 Q264 Q265 | D258-M261 HydrophobicContact CB-CB 4.43Å; D258-M261 HydrophobicContact CB-CG 4.09Å; D258-M261 PolarHBondContact O-N 3.21Å; D258-M261 VanDerWaalsContact O-N 3.16Å; M261-H263 VanDerWaalsContact C-N 3.31Å; M261-H263 PolarHBondContact O-N 2.97Å; M261-Q264 PolarHBondContact O-N 2.75Å; M261-Q265 PolarHBondContact O-N 3.14Å |
| 262 | L | 94.5 | Very high | 91.7 | Very high | 5 Ų | 5 | 78 Ų | 78 | 3% | 0.026 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -63.5 | -37.5 | 173.4 | -64.1 | 179.5 | 0 | 0 | 0 | 112.3 | R224 Y228 V241 D258 V259 L260 Q265 Y266 | R224-L262 HydrophobicContact CG-CD1 3.69Å; R224-L262 HydrophobicContact CG-CD2 4.18Å; Y228-L262 HydrophobicContact CD2-CB 4.14Å; V241-L262 HydrophobicContact CB-CD1 4.32Å; V241-L262 HydrophobicContact CG2-CD1 3.81Å; D258-L262 WeakPolarHBondContact O-CG 3.4Å; D258-L262 PolarHBondContact O-N 3.17Å; D258-L262 VanDerWaalsContact O-N 3.09Å; V259-L262 PolarHBondContact O-N 3.08Å; L260-L262 VanDerWaalsContact C-N 3.32Å; L262-Q265 PolarHBondContact O-N 3.25Å; L262-Y266 HydrophobicContact CB-CD2 4.3Å; L262-Y266 HydrophobicContact CB-CE2 4.02Å; L262-Y266 WeakPolarHBondContact O-CD2 3.28Å; L262-Y266 PolarHBondContact O-N 2.72Å |
| 263 | H | 94.2 | Very high | 91.5 | Very high | 50 Ų | 50 | 78.7 Ų | 78.7 | 23% | 0.231 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -59.4 | -48.2 | 175.3 | -175.9 | 70.7 | 0 | 0 | 0 | 111.7 | Y228 V259 L260 M261 Q265 Y266 Q267 | Y228-H263 HydrophobicContact CE2-CB 3.87Å; Y228-H263 AromaticContact CZ-ND1 3.84Å; Y228-H263 PolarHBondContact OH-ND1 3.35Å; V259-H263 WeakPolarHBondContact O-CB 3.34Å; V259-H263 PolarHBondContact O-N 3.26Å; L260-H263 VanDerWaalsContact O-CB 3.32Å; L260-H263 WeakPolarHBondContact O-CB 3.25Å; L260-H263 PolarHBondContact O-N 2.81Å; M261-H263 VanDerWaalsContact C-N 3.31Å; M261-H263 PolarHBondContact O-N 2.97Å; H263-Q265 VanDerWaalsContact C-N 3.34Å; H263-Q265 PolarHBondContact O-N 2.91Å; H263-Y266 PolarHBondContact O-N 3.36Å; H263-Q267 PolarHBondContact CE1-NE2 3.49Å; H263-Q267 VanDerWaalsContact CE1-NE2 3.32Å; H263-Q267 PolarHBondContact NE2-NE2 3.02Å; H263-Q267 WeakPolarHBondContact O-CB 3.35Å; H263-Q267 WeakPolarHBondContact O-CG 3.42Å; H263-Q267 PolarHBondContact O-N 3.1Å |
| 264 | Q | 94.6 | Very high | 91.2 | Very high | 103 Ų | 103 | 77.7 Ų | 77.7 | 48% | 0.481 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -61.7 | -43.3 | 178.3 | -68.6 | 173.2 | -8.3 | 0 | 0 | 111.4 | L260 M261 Q267 A268 | L260-Q264 WeakPolarHBondContact O-CG 3.27Å; L260-Q264 PolarHBondContact O-N 2.93Å; L260-Q264 VanDerWaalsContact O-N 3.11Å; M261-Q264 PolarHBondContact O-N 2.75Å; Q264-Q267 PolarHBondContact O-N 2.7Å; Q264-A268 WeakPolarHBondContact O-CB 3.3Å; Q264-A268 PolarHBondContact O-N 3.01Å |
| 265 | Q | 93.9 | Very high | 90.9 | Very high | 90 Ų | 90 | 78.5 Ų | 78.5 | 42% | 0.421 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -60.5 | -53 | 176.8 | -174.9 | -175.3 | -16.9 | 0 | 0 | 111.8 | M261 L262 H263 Q267 A268 E269 | M261-Q265 PolarHBondContact O-N 3.14Å; L262-Q265 PolarHBondContact O-N 3.25Å; H263-Q265 VanDerWaalsContact C-N 3.34Å; H263-Q265 PolarHBondContact O-N 2.91Å; Q265-Q267 VanDerWaalsContact C-N 3.27Å; Q265-Q267 PolarHBondContact O-N 3.02Å; Q265-A268 PolarHBondContact O-N 2.7Å; Q265-A268 VanDerWaalsContact O-N 3.14Å; Q265-E269 WeakPolarHBondContact CG-OE1 3.5Å; Q265-E269 PolarHBondContact NE2-OE1 3.29Å; Q265-E269 VanDerWaalsContact NE2-OE1 3.07Å; Q265-E269 WeakPolarHBondContact O-CG 3.19Å; Q265-E269 PolarHBondContact O-N 3.15Å |
| 266 | Y | 93.1 | Very high | 90.8 | Very high | 14 Ų | 14 | 81.9 Ų | 81.9 | 6% | 0.055 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -70.5 | -21.1 | -178.4 | -64.7 | -45.7 | 0 | 0 | 0 | 113.8 | Y228 L262 H263 E269 K270 | Y228-Y266 AromaticContact CD1-CD2 3.48Å; Y228-Y266 HydrophobicContact CD1-CD2 3.48Å; Y228-Y266 VanDerWaalsContact CD1-CD2 3.48Å; Y228-Y266 AromaticContact CD1-CE2 3.62Å; Y228-Y266 HydrophobicContact CD1-CE2 3.62Å; Y228-Y266 HydrophobicContact CD2-CD2 4.2Å; Y228-Y266 HydrophobicContact CD2-CE2 4.31Å; Y228-Y266 AromaticContact CE1-CD2 3.52Å; Y228-Y266 HydrophobicContact CE1-CD2 3.52Å; Y228-Y266 HydrophobicContact CE1-CE2 4.16Å; Y228-Y266 HydrophobicContact CE1-CG 4.37Å; Y228-Y266 HydrophobicContact CE2-CD2 4.25Å; Y228-Y266 AromaticContact CG-CD2 3.84Å; Y228-Y266 HydrophobicContact CG-CD2 3.84Å; Y228-Y266 AromaticContact CG-CE2 3.71Å; Y228-Y266 HydrophobicContact CG-CE2 3.71Å; Y228-Y266 AromaticContact CZ-CD2 3.92Å; L262-Y266 HydrophobicContact CB-CD2 4.3Å; L262-Y266 HydrophobicContact CB-CE2 4.02Å; L262-Y266 WeakPolarHBondContact O-CD2 3.28Å; L262-Y266 PolarHBondContact O-N 2.72Å; H263-Y266 PolarHBondContact O-N 3.36Å; Y266-E269 WeakPolarHBondContact CD1-OE2 3.32Å; Y266-K270 WeakPolarHBondContact O-CG 3.38Å |
| 267 | Q | 91.6 | Very high | 90.5 | Very high | 115 Ų | 115 | 80.9 Ų | 80.9 | 54% | 0.537 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -73.9 | -42.7 | 168.9 | -80.3 | -161.3 | -13.2 | 0 | 0 | 111.6 | H263 Q264 Q265 E269 K270 A271 | H263-Q267 PolarHBondContact CE1-NE2 3.49Å; H263-Q267 VanDerWaalsContact CE1-NE2 3.32Å; H263-Q267 PolarHBondContact NE2-NE2 3.02Å; H263-Q267 WeakPolarHBondContact O-CB 3.35Å; H263-Q267 WeakPolarHBondContact O-CG 3.42Å; H263-Q267 PolarHBondContact O-N 3.1Å; Q264-Q267 PolarHBondContact O-N 2.7Å; Q265-Q267 VanDerWaalsContact C-N 3.27Å; Q265-Q267 PolarHBondContact O-N 3.02Å; Q267-E269 VanDerWaalsContact C-N 3.31Å; Q267-E269 PolarHBondContact O-N 2.84Å; Q267-K270 PolarHBondContact O-N 3.23Å; Q267-K270 VanDerWaalsContact O-N 3.16Å; Q267-A271 PolarHBondContact O-N 2.82Å |
| 268 | A | 91.8 | Very high | 90.2 | Very high | 69 Ų | 69 | 84.6 Ų | 84.6 | 57% | 0.57 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -63.5 | -36 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q264 Q265 K270 A271 | Q264-A268 WeakPolarHBondContact O-CB 3.3Å; Q264-A268 PolarHBondContact O-N 3.01Å; Q265-A268 PolarHBondContact O-N 2.7Å; Q265-A268 VanDerWaalsContact O-N 3.14Å; A268-K270 PolarHBondContact O-N 3.32Å; A268-A271 PolarHBondContact O-N 3Å |
| 269 | E | 87.8 | Confident | 89.7 | Confident | 111 Ų | 111 | 86.3 Ų | 86.3 | 52% | 0.519 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -19.4 | 175.7 | -71.7 | 171.5 | -166.6 | 0 | 0 | 113.9 | Q265 Y266 Q267 | Q265-E269 WeakPolarHBondContact CG-OE1 3.5Å; Q265-E269 PolarHBondContact NE2-OE1 3.29Å; Q265-E269 VanDerWaalsContact NE2-OE1 3.07Å; Q265-E269 WeakPolarHBondContact O-CG 3.19Å; Q265-E269 PolarHBondContact O-N 3.15Å; Y266-E269 WeakPolarHBondContact CD1-OE2 3.32Å; Q267-E269 VanDerWaalsContact C-N 3.31Å; Q267-E269 PolarHBondContact O-N 2.84Å |
| 270 | K | 79.8 | Confident | 89.2 | Confident | 177 Ų | 177 | 91.4 Ų | 91.4 | 77% | 0.77 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | -18.4 | 178.2 | -76.5 | -179.4 | 179.4 | -174.4 | 0 | 113.8 | Y266 Q267 A268 | Y266-K270 WeakPolarHBondContact O-CG 3.38Å; Q267-K270 PolarHBondContact O-N 3.23Å; Q267-K270 VanDerWaalsContact O-N 3.16Å; A268-K270 PolarHBondContact O-N 3.32Å |
| 271 | A | 59.6 | Low | 88.7 | Confident | 142 Ų | 142 | 90.3 Ų | 90.3 | 100% | 1.174 | 49% | 0.487 | S | S | * | . | trans | -82.2 | 0 | -178.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q267 A268 | Q267-A271 PolarHBondContact O-N 2.82Å; A268-A271 PolarHBondContact O-N 3Å |
Retrieved 271 of 271 residues in 1374.4 ms
(Link to these results)