| 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 | 32.5 | Very low | 41.5 | Very low | 238 Ų | 238 | 126.5 Ų | 126.5 | 100% | 1.172 | 66% | 0.659 | S | S | * | * | 0 | 76 | 0 | -165.5 | -176.3 | -74.9 | 0 | 0 | 106.1 | |||||
| 2 | E | 31.2 | Very low | 41.9 | Very low | 200 Ų | 200 | 129.8 Ų | 129.8 | 94% | 0.935 | 66% | 0.664 | S | S | * | * | trans | -86.5 | 116.2 | 174.5 | -76 | -179 | 130.7 | 0 | 0 | 106.8 | E4 | E2-E4 PolarHBondContact O-N 2.89Š| ||
| 3 | Q | 30.7 | Very low | 41.4 | Very low | 181 Ų | 181 | 128.2 Ų | 128.2 | 85% | 0.846 | 67% | 0.665 | S | S | * | * | trans | -66.4 | 121.1 | 179.1 | -83 | 173.1 | -20.6 | 0 | 0 | 109.5 | Q5 | Q3-Q5 PolarHBondContact O-N 2.98Š| ||
| 4 | E | 31 | Very low | 41.2 | Very low | 198 Ų | 198 | 124.9 Ų | 124.9 | 93% | 0.925 | 65% | 0.653 | S | S | * | * | trans | -56.4 | 101.2 | 162.9 | -87 | 177.6 | 122.3 | 0 | 0 | 108.6 | E2 D6 | E2-E4 PolarHBondContact O-N 2.89Å; E4-D6 PolarHBondContact O-N 3.06Å | ||
| 5 | Q | 34.9 | Very low | 40.3 | Very low | 184 Ų | 184 | 130.1 Ų | 130.1 | 86% | 0.86 | 67% | 0.668 | S | S | * | * | trans | -78.6 | 109.8 | -179.7 | -144.9 | 167.5 | 19.1 | 0 | 0 | 108.9 | Q3 A7 | Q3-Q5 PolarHBondContact O-N 2.98Å; Q5-A7 PolarHBondContact O-N 3.28Å; Q5-A7 VanDerWaalsContact O-N 3.16Å | ||
| 6 | D | 39.7 | Very low | 39.7 | Very low | 115 Ų | 115 | 134.9 Ų | 134.9 | 62% | 0.615 | 68% | 0.675 | S | S | * | * | trans | -37.3 | 106.3 | -177 | -150.4 | -31 | 0 | 0 | 0 | 113.6 | E4 S8 S9 | E4-D6 PolarHBondContact O-N 3.06Å; D6-S8 PolarHBondContact O-N 2.96Å; D6-S8 PolarHBondContact OD1-OG 3.32Å; D6-S9 PolarHBondContact O-N 3.37Å; D6-S9 PolarHBondContact O-OG 3.43Å | ||
| 7 | A | 47.3 | Very low | 39 | Very low | 50 Ų | 50 | 136.6 Ų | 136.6 | 41% | 0.413 | 69% | 0.687 | S | S | . | * | G | 310 helix | trans | -64.4 | -10.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q5 P138 | Q5-A7 PolarHBondContact O-N 3.28Å; Q5-A7 VanDerWaalsContact O-N 3.16Å; A7-P138 HydrophobicContact CB-CG 4.2Å |
| 8 | S | 47.9 | Very low | 38.3 | Very low | 71 Ų | 71 | 135 Ų | 135 | 50% | 0.497 | 70% | 0.698 | S | S | . | * | G | 310 helix | trans | -73.9 | -21.9 | -180 | 67.8 | 0 | 0 | 0 | 0 | 114 | D6 V10 | D6-S8 PolarHBondContact O-N 2.96Å; D6-S8 PolarHBondContact OD1-OG 3.32Å; S8-V10 PolarHBondContact O-N 3.19Å; S8-V10 VanDerWaalsContact O-N 3.17Å |
| 9 | S | 50.9 | Low | 37.7 | Very low | 104 Ų | 104 | 137.6 Ų | 137.6 | 73% | 0.727 | 71% | 0.707 | S | S | * | * | G | 310 helix | trans | -73 | -8.4 | -171.2 | 70.5 | 0 | 0 | 0 | 0 | 115.8 | D6 | D6-S9 PolarHBondContact O-N 3.37Å; D6-S9 PolarHBondContact O-OG 3.43Å |
| 10 | V | 57.8 | Low | 37.1 | Very low | 25 Ų | 25 | 138 Ų | 138 | 15% | 0.152 | 72% | 0.716 | C | S | . | * | G | 310 helix | trans | -77.3 | -24.2 | -173.5 | 178 | 0 | 0 | 0 | 0 | 113.1 | S8 D169 | S8-V10 PolarHBondContact O-N 3.19Å; S8-V10 VanDerWaalsContact O-N 3.17Å; V10-D169 HydrophobicContact CG1-CB 3.77Å |
| 11 | F | 52.6 | Low | 36.6 | Very low | 25 Ų | 25 | 136.1 Ų | 136.1 | 11% | 0.11 | 72% | 0.715 | C | S | . | * | trans | -113.9 | 126.7 | -166 | -56.4 | -79.4 | 0 | 0 | 0 | 112.6 | L136 H139 Q163 I165 V173 | F11-L136 HydrophobicContact CE1-CB 4.15Å; F11-L136 HydrophobicContact CZ-CB 4.38Å; F11-H139 HydrophobicContact CD2-CB 4.26Å; F11-H139 HydrophobicContact CE2-CB 3.9Å; F11-H139 HydrophobicContact CZ-CB 4.37Å; F11-Q163 HydrophobicContact CD1-CG 4.15Å; F11-I165 HydrophobicContact CD1-CG1 4.41Å; F11-I165 HydrophobicContact CE1-CD1 4.23Å; F11-I165 HydrophobicContact CE1-CG1 4.24Å; F11-V173 HydrophobicContact CZ-CG2 4.27Å | ||
| 12 | K | 46.7 | Very low | 36.2 | Very low | 166 Ų | 166 | 130 Ų | 130 | 72% | 0.722 | 70% | 0.695 | S | S | * | * | B | Isolated β-bridge | trans | -115.3 | 121.5 | 166 | -77.4 | -177.3 | 177.8 | 179.6 | 0 | 109.2 | Q163 | K12-Q163 PolarHBondContact O-NE2 3.16Å |
| 13 | T | 35.7 | Very low | 36.1 | Very low | 109 Ų | 109 | 131.4 Ų | 131.4 | 67% | 0.669 | 69% | 0.693 | S | S | * | * | trans | -83.4 | 124.7 | 176.2 | -51.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 14 | V | 37.7 | Very low | 35.8 | Very low | 83 Ų | 83 | 130.5 Ų | 130.5 | 50% | 0.503 | 69% | 0.692 | S | S | . | * | trans | -119.6 | 110.4 | 167.4 | 179.2 | 0 | 0 | 0 | 0 | 106.7 | R16 | V14-R16 HydrophobicContact CG1-CG 4.26Å; V14-R16 PolarHBondContact O-N 3.21Å | ||
| 15 | K | 28.1 | Very low | 35.6 | Very low | 202 Ų | 202 | 129.8 Ų | 129.8 | 88% | 0.878 | 69% | 0.689 | S | S | * | * | trans | -75.2 | 119 | 167.9 | -87.4 | -176.6 | 172.1 | -177.7 | 0 | 107.9 | ||||
| 16 | R | 31 | Very low | 35 | Very low | 208 Ų | 208 | 127 Ų | 127 | 79% | 0.785 | 69% | 0.689 | S | S | * | * | trans | -123.9 | 134.4 | 160.4 | -80.9 | -171 | -176.4 | 119.9 | -0.4 | 108.8 | V14 | V14-R16 HydrophobicContact CG1-CG 4.26Å; V14-R16 PolarHBondContact O-N 3.21Å | ||
| 17 | D | 27.2 | Very low | 34.2 | Very low | 163 Ų | 163 | 126.9 Ų | 126.9 | 87% | 0.872 | 70% | 0.697 | S | S | * | * | trans | -72 | 138.7 | 175.3 | -68.7 | -46.9 | 0 | 0 | 0 | 110.1 | Q19 | D17-Q19 PolarHBondContact O-N 3.02Å; D17-Q19 VanDerWaalsContact O-N 3.11Å | ||
| 18 | A | 26.8 | Very low | 33.4 | Very low | 108 Ų | 108 | 129 Ų | 129 | 89% | 0.893 | 71% | 0.709 | S | S | * | * | trans | -63.6 | 107.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 19 | Q | 26 | Very low | 32.3 | Very low | 184 Ų | 184 | 135.1 Ų | 135.1 | 86% | 0.86 | 73% | 0.729 | S | S | * | * | trans | -129 | 121.3 | 159.7 | -115.9 | 175.8 | -20.8 | 0 | 0 | 109.2 | D17 S21 | D17-Q19 PolarHBondContact O-N 3.02Å; D17-Q19 VanDerWaalsContact O-N 3.11Å; Q19-S21 PolarHBondContact O-N 3.15Å | ||
| 20 | T | 26 | Very low | 31.2 | Very low | 145 Ų | 145 | 141 Ų | 141 | 89% | 0.89 | 74% | 0.735 | S | S | * | * | trans | -37.9 | 116.5 | -176.4 | 54.8 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 21 | S | 26.5 | Very low | 30.1 | Very low | 99 Ų | 99 | 145.8 Ų | 145.8 | 69% | 0.692 | 77% | 0.767 | S | S | * | * | trans | -102.3 | 109.4 | 166.7 | 52.6 | 0 | 0 | 0 | 0 | 109.7 | Q19 | Q19-S21 PolarHBondContact O-N 3.15Š| ||
| 22 | S | 24.4 | Very low | 29.1 | Very low | 109 Ų | 109 | 151.4 Ų | 151.4 | 76% | 0.762 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 129.8 | 169.5 | 60.7 | 0 | 0 | 0 | 0 | 109 | L24 | S22-L24 PolarHBondContact O-N 3.35Š|
| 23 | W | 30.1 | Very low | 28.1 | Very low | 231 Ų | 231 | 149.4 Ų | 149.4 | 88% | 0.875 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 117.4 | 178.5 | -74.8 | 87.4 | 0 | 0 | 0 | 109.7 | ||
| 24 | L | 24.5 | Very low | 27.8 | Very low | 161 Ų | 161 | 150.5 Ų | 150.5 | 84% | 0.843 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 118.2 | 162.7 | -89.6 | 133.7 | 0 | 0 | 0 | 108.6 | S22 C26 | S22-L24 PolarHBondContact O-N 3.35Å; L24-C26 PolarHBondContact O-N 3.49Å; L24-C26 VanDerWaalsContact O-N 3.16Å |
| 25 | E | 24.9 | Very low | 27.4 | Very low | 184 Ų | 184 | 154.8 Ų | 154.8 | 86% | 0.86 | 83% | 0.826 | S | S | * | * | trans | -55.8 | 111.8 | 171.5 | -83.5 | 168.4 | 141 | 0 | 0 | 110.5 | S27 | E25-S27 PolarHBondContact O-N 3.1Š| ||
| 26 | C | 23.5 | Very low | 27.3 | Very low | 125 Ų | 125 | 152.2 Ų | 152.2 | 85% | 0.845 | 82% | 0.821 | S | S | * | * | trans | -86 | 86.8 | 171.1 | -162.8 | 0 | 0 | 0 | 0 | 108.7 | L24 S28 | L24-C26 PolarHBondContact O-N 3.49Å; L24-C26 VanDerWaalsContact O-N 3.16Å; C26-S28 PolarHBondContact O-N 3.36Å | ||
| 27 | S | 22.6 | Very low | 27.2 | Very low | 113 Ų | 113 | 149 Ų | 149 | 79% | 0.79 | 82% | 0.818 | S | S | * | * | trans | -71.8 | 107.4 | 165.8 | -62.8 | 0 | 0 | 0 | 0 | 109.4 | E25 | E25-S27 PolarHBondContact O-N 3.1Š| ||
| 28 | S | 31.1 | Very low | 27.4 | Very low | 95 Ų | 95 | 146.4 Ų | 146.4 | 66% | 0.664 | 81% | 0.81 | S | S | * | * | trans | -143.1 | 90.8 | 154.7 | 88.5 | 0 | 0 | 0 | 0 | 109.8 | C26 R30 | C26-S28 PolarHBondContact O-N 3.36Å; S28-R30 PolarHBondContact O-N 2.83Å | ||
| 29 | E | 24.7 | Very low | 27.5 | Very low | 198 Ų | 198 | 150.3 Ų | 150.3 | 93% | 0.925 | 81% | 0.81 | S | S | * | * | trans | -65 | 124.9 | 162.5 | -64.7 | -179.8 | 127.4 | 0 | 0 | 108.5 | ||||
| 30 | R | 28.3 | Very low | 27.6 | Very low | 227 Ų | 227 | 148.5 Ų | 148.5 | 86% | 0.857 | 81% | 0.806 | S | S | * | * | trans | -130.5 | 133 | 158.5 | -80.7 | -170.7 | 179.3 | 173.3 | 1 | 108.4 | S28 | S28-R30 PolarHBondContact O-N 2.83Š| ||
| 31 | P | 33.1 | Very low | 27.7 | Very low | 126 Ų | 126 | 152.3 Ų | 152.3 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | -80.2 | 132.8 | -168.6 | 32 | -32.2 | 0 | 0 | 0 | 110.5 | T33 | P31-T33 PolarHBondContact O-N 3.45Š| ||
| 32 | V | 31.4 | Very low | 28 | Very low | 143 Ų | 143 | 155.8 Ų | 155.8 | 87% | 0.867 | 81% | 0.814 | S | S | * | * | trans | -85.9 | 107 | 173.7 | 178.7 | 0 | 0 | 0 | 0 | 107.6 | D34 | V32-D34 PolarHBondContact O-N 3.16Š| ||
| 33 | T | 27.3 | Very low | 28.2 | Very low | 124 Ų | 124 | 157.9 Ų | 157.9 | 76% | 0.761 | 82% | 0.816 | S | S | * | * | trans | -67.2 | 122 | 171.4 | 31.2 | 0 | 0 | 0 | 0 | 111.5 | P31 | P31-T33 PolarHBondContact O-N 3.45Š| ||
| 34 | D | 27.8 | Very low | 28.1 | Very low | 133 Ų | 133 | 150.9 Ų | 150.9 | 71% | 0.711 | 81% | 0.807 | S | S | * | * | trans | 10.8 | 105.8 | 153.3 | -65.2 | -33.7 | 0 | 0 | 0 | 118.6 | V32 L36 | V32-D34 PolarHBondContact O-N 3.16Å; D34-L36 HydrophobicContact CB-CD1 4.46Å; D34-L36 HydrophobicContact CB-CG 4.44Å | ||
| 35 | L | 30.8 | Very low | 28.2 | Very low | 172 Ų | 172 | 149 Ų | 149 | 90% | 0.901 | 80% | 0.802 | S | S | * | * | trans | -102 | 81.7 | 151.8 | -73 | 172 | 0 | 0 | 0 | 108.4 | I37 | L35-I37 PolarHBondContact O-N 3.03Š| ||
| 36 | L | 26.3 | Very low | 28.3 | Very low | 148 Ų | 148 | 146.3 Ų | 146.3 | 78% | 0.775 | 80% | 0.799 | S | S | * | * | trans | -75.5 | 112.6 | 169 | -75.9 | 161.3 | 0 | 0 | 0 | 109.3 | D34 | D34-L36 HydrophobicContact CB-CD1 4.46Å; D34-L36 HydrophobicContact CB-CG 4.44Å | ||
| 37 | I | 29 | Very low | 28.6 | Very low | 141 Ų | 141 | 145.6 Ų | 145.6 | 72% | 0.723 | 80% | 0.795 | S | S | * | * | trans | -104.4 | 116.6 | 164.2 | -59.5 | 175.8 | 0 | 0 | 0 | 106.9 | L35 | L35-I37 PolarHBondContact O-N 3.03Š| ||
| 38 | P | 31.2 | Very low | 28.9 | Very low | 109 Ų | 109 | 146.2 Ų | 146.2 | 71% | 0.708 | 80% | 0.8 | S | S | * | * | trans | -80.5 | 123 | -174.9 | 7 | 7 | 0 | 0 | 0 | 111.3 | D40 | P38-D40 PolarHBondContact O-N 3.34Š| ||
| 39 | H | 28.5 | Very low | 28.9 | Very low | 189 Ų | 189 | 145 Ų | 145 | 88% | 0.875 | 80% | 0.802 | S | S | * | * | trans | -91.4 | 83.6 | 165.3 | -78.3 | -77.5 | 0 | 0 | 0 | 109.3 | ||||
| 40 | D | 28.3 | Very low | 29.1 | Very low | 147 Ų | 147 | 141.5 Ų | 141.5 | 79% | 0.786 | 80% | 0.799 | S | S | * | * | trans | -102.1 | 138.8 | 167.1 | -101.4 | -24 | 0 | 0 | 0 | 110.7 | P38 | P38-D40 PolarHBondContact O-N 3.34Š| ||
| 41 | R | 27.6 | Very low | 29.3 | Very low | 225 Ų | 225 | 136.1 Ų | 136.1 | 85% | 0.849 | 80% | 0.797 | S | S | * | * | trans | 83.2 | 85.3 | 168.7 | -61.5 | -170.9 | 163.2 | -166.3 | -3.8 | 118.8 | ||||
| 42 | L | 32.2 | Very low | 30 | Very low | 172 Ų | 172 | 135.8 Ų | 135.8 | 90% | 0.901 | 79% | 0.794 | S | S | * | * | trans | -133.5 | 91 | 130.1 | -74.4 | 177.5 | 0 | 0 | 0 | 110.1 | ||||
| 43 | L | 29.9 | Very low | 30.1 | Very low | 153 Ų | 153 | 134 Ų | 134 | 80% | 0.801 | 79% | 0.789 | S | S | * | * | trans | 13.9 | 115 | 144 | -59.2 | 164.4 | 0 | 0 | 0 | 116.6 | ||||
| 44 | A | 27.4 | Very low | 30.1 | Very low | 84 Ų | 84 | 133 Ų | 133 | 69% | 0.694 | 79% | 0.787 | S | S | * | * | 63.4 | 134.4 | 82.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 45 | T | 26.3 | Very low | 30.3 | Very low | 121 Ų | 121 | 133.9 Ų | 133.9 | 74% | 0.742 | 79% | 0.791 | S | S | * | * | cis | -174.9 | 137.4 | -4.4 | 21.8 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 46 | T | 26.6 | Very low | 30.1 | Very low | 128 Ų | 128 | 131 Ų | 131 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | trans | 39.5 | 128.9 | 140.8 | 67.9 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 47 | S | 30.9 | Very low | 30.4 | Very low | 110 Ų | 110 | 129 Ų | 129 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | -171 | 108.6 | 127.5 | 45.5 | 0 | 0 | 0 | 0 | 107.9 | |||||
| 48 | S | 27.5 | Very low | 30.3 | Very low | 126 Ų | 126 | 129.7 Ų | 129.7 | 88% | 0.881 | 79% | 0.788 | S | S | * | * | 72.1 | 113.1 | 77 | 72 | 0 | 0 | 0 | 0 | 115 | |||||
| 49 | G | 30.9 | Very low | 30.1 | Very low | 69 Ų | 69 | 130.7 Ų | 130.7 | 71% | 0.711 | 78% | 0.783 | S | S | * | * | trans | 159.9 | 83.7 | 165.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 50 | S | 29.7 | Very low | 30.1 | Very low | 124 Ų | 124 | 130.9 Ų | 130.9 | 87% | 0.867 | 79% | 0.787 | S | S | * | * | 78.8 | 114.8 | 87.9 | 65.4 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 51 | S | 32.6 | Very low | 30.1 | Very low | 115 Ų | 115 | 132.3 Ų | 132.3 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | trans | -67.1 | -164.5 | 170.4 | -35.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 52 | P | 47.7 | Very low | 30.2 | Very low | 118 Ų | 118 | 132.7 Ų | 132.7 | 77% | 0.766 | 79% | 0.788 | S | S | * | * | cis | -138.8 | 177.7 | -15.4 | 35.8 | -15.5 | 0 | 0 | 0 | 114.7 | ||||
| 53 | S | 34.5 | Very low | 30.1 | Very low | 107 Ų | 107 | 132.6 Ų | 132.6 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | trans | 176.2 | 109 | 138.3 | 38.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 54 | S | 26.8 | Very low | 30.4 | Very low | 103 Ų | 103 | 131.8 Ų | 131.8 | 72% | 0.72 | 79% | 0.788 | S | S | * | * | 56.6 | 106.3 | 102.4 | -15.5 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 55 | N | 32.3 | Very low | 31.3 | Very low | 150 Ų | 150 | 133 Ų | 133 | 80% | 0.802 | 79% | 0.787 | S | S | * | * | 165 | 123.1 | 113 | -84.5 | -13.3 | 0 | 0 | 0 | 114.9 | |||||
| 56 | S | 26.2 | Very low | 32 | Very low | 113 Ų | 113 | 132.8 Ų | 132.8 | 79% | 0.79 | 78% | 0.781 | S | S | * | * | trans | 44.5 | 121 | 140.5 | 65.5 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 57 | S | 32.4 | Very low | 32.9 | Very low | 106 Ų | 106 | 130.9 Ų | 130.9 | 74% | 0.741 | 77% | 0.77 | S | S | * | * | 161.1 | 117.8 | 110.6 | -175.3 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 58 | L | 27.7 | Very low | 33.8 | Very low | 154 Ų | 154 | 130 Ų | 130 | 81% | 0.806 | 76% | 0.764 | S | S | * | * | trans | 17.6 | 101.1 | 153.6 | -62.5 | 161.6 | 0 | 0 | 0 | 118.1 | ||||
| 59 | E | 26.7 | Very low | 34.6 | Very low | 131 Ų | 131 | 129.5 Ų | 129.5 | 61% | 0.612 | 76% | 0.755 | S | S | * | * | 79.5 | 93.4 | 81 | -159.7 | 171.5 | 174.8 | 0 | 0 | 115 | K61 | E59-K61 HydrophobicContact CG-CD 4.5Å; E59-K61 HydrophobicContact CG-CG 4.13Å; E59-K61 VanDerWaalsContact OE1-CD 3.26Å; E59-K61 WeakPolarHBondContact OE1-CD 3.43Å; E59-K61 WeakPolarHBondContact OE1-CE 3.49Å; E59-K61 IonicContact OE1-NZ 3.98Å; E59-K61 PolarHBondContact OE1-NZ 3.49Å | |||
| 60 | M | 28.1 | Very low | 34.8 | Very low | 192 Ų | 192 | 132.3 Ų | 132.3 | 95% | 0.946 | 75% | 0.753 | S | S | * | * | trans | -124 | 94.4 | 155.2 | -163.5 | 167.2 | -144.4 | 0 | 0 | 107.9 | R62 | M60-R62 PolarHBondContact O-N 2.83Š| ||
| 61 | K | 28.6 | Very low | 35.3 | Very low | 178 Ų | 178 | 135.5 Ų | 135.5 | 77% | 0.774 | 75% | 0.752 | S | S | * | * | trans | -66.5 | 96.5 | 178.7 | -82.1 | 169.1 | 163.9 | 146.9 | 0 | 110.4 | E59 | E59-K61 HydrophobicContact CG-CD 4.5Å; E59-K61 HydrophobicContact CG-CG 4.13Å; E59-K61 VanDerWaalsContact OE1-CD 3.26Å; E59-K61 WeakPolarHBondContact OE1-CD 3.43Å; E59-K61 WeakPolarHBondContact OE1-CE 3.49Å; E59-K61 IonicContact OE1-NZ 3.98Å; E59-K61 PolarHBondContact OE1-NZ 3.49Å | ||
| 62 | R | 28.5 | Very low | 36.1 | Very low | 232 Ų | 232 | 135.9 Ų | 135.9 | 88% | 0.875 | 75% | 0.751 | S | S | * | * | trans | -100.9 | 115.5 | 161.4 | -162.7 | 167 | -178 | 95.6 | -1.4 | 108 | M60 V64 | M60-R62 PolarHBondContact O-N 2.83Å; R62-V64 PolarHBondContact O-N 2.98Å; R62-V64 VanDerWaalsContact O-N 3.11Å | ||
| 63 | L | 30.2 | Very low | 36.1 | Very low | 170 Ų | 170 | 134.9 Ų | 134.9 | 89% | 0.89 | 75% | 0.753 | S | S | * | * | trans | -38.5 | 108.7 | -176.5 | -74.2 | 143.5 | 0 | 0 | 0 | 112.4 | V65 | L63-V65 PolarHBondContact O-N 3.21Š| ||
| 64 | V | 37.1 | Very low | 36.4 | Very low | 136 Ų | 136 | 136.7 Ų | 136.7 | 82% | 0.824 | 76% | 0.759 | S | S | * | * | trans | -78.1 | 106.3 | 166.3 | 179 | 0 | 0 | 0 | 0 | 105.9 | R62 D66 | R62-V64 PolarHBondContact O-N 2.98Å; R62-V64 VanDerWaalsContact O-N 3.11Å; V64-D66 PolarHBondContact O-N 3.03Å | ||
| 65 | V | 47 | Very low | 37.3 | Very low | 111 Ų | 111 | 136.3 Ų | 136.3 | 67% | 0.673 | 76% | 0.756 | S | S | * | * | trans | -60.4 | 117.9 | 165.5 | 174.4 | 0 | 0 | 0 | 0 | 106.2 | L63 T67 | L63-V65 PolarHBondContact O-N 3.21Å; V65-T67 VanDerWaalsContact C-N 3.34Å; V65-T67 HydrophobicContact CG1-CG2 4.48Å; V65-T67 PolarHBondContact O-N 3.4Å | ||
| 66 | D | 40.2 | Very low | 37.3 | Very low | 116 Ų | 116 | 134.5 Ų | 134.5 | 62% | 0.62 | 75% | 0.754 | S | S | * | * | trans | -70.1 | 92.7 | 179.7 | -168.1 | -6.2 | 0 | 0 | 0 | 109.1 | V64 S68 | V64-D66 PolarHBondContact O-N 3.03Å; D66-S68 VanDerWaalsContact CG-OG 3.25Å; D66-S68 PolarHBondContact O-N 3.48Å; D66-S68 WeakPolarHBondContact OD1-CB 3.43Å; D66-S68 PolarHBondContact OD1-N 2.98Å; D66-S68 PolarHBondContact OD1-OG 3.46Å; D66-S68 PolarHBondContact OD2-OG 3.06Å | ||
| 67 | T | 45.2 | Very low | 37.7 | Very low | 88 Ų | 88 | 135.7 Ų | 135.7 | 54% | 0.54 | 75% | 0.751 | S | S | . | * | G | 310 helix | trans | -76.7 | 4.3 | -179.8 | 57.3 | 0 | 0 | 0 | 0 | 112.8 | V65 T69 L70 | V65-T67 VanDerWaalsContact C-N 3.34Å; V65-T67 HydrophobicContact CG1-CG2 4.48Å; V65-T67 PolarHBondContact O-N 3.4Å; T67-T69 PolarHBondContact O-N 3.11Å; T67-T69 VanDerWaalsContact O-N 3.07Å; T67-L70 HydrophobicContact CG2-CD1 3.65Å; T67-L70 HydrophobicContact CG2-CG 4.43Å; T67-L70 PolarHBondContact O-N 2.9Å; T67-L70 VanDerWaalsContact O-N 3.11Å |
| 68 | S | 51.1 | Low | 38 | Very low | 92 Ų | 92 | 135.5 Ų | 135.5 | 64% | 0.643 | 75% | 0.75 | S | S | * | * | G | 310 helix | trans | -62.6 | -15.5 | -178.2 | 62.4 | 0 | 0 | 0 | 0 | 114 | D66 | D66-S68 VanDerWaalsContact CG-OG 3.25Å; D66-S68 PolarHBondContact O-N 3.48Å; D66-S68 WeakPolarHBondContact OD1-CB 3.43Å; D66-S68 PolarHBondContact OD1-N 2.98Å; D66-S68 PolarHBondContact OD1-OG 3.46Å; D66-S68 PolarHBondContact OD2-OG 3.06Å |
| 69 | T | 43.2 | Very low | 38.3 | Very low | 115 Ų | 115 | 134.6 Ų | 134.6 | 71% | 0.706 | 75% | 0.745 | S | S | * | * | G | 310 helix | trans | -108.2 | 2.9 | 178.3 | 60 | 0 | 0 | 0 | 0 | 114.3 | T67 K71 | T67-T69 PolarHBondContact O-N 3.11Å; T67-T69 VanDerWaalsContact O-N 3.07Å; T69-K71 PolarHBondContact O-N 3.04Å |
| 70 | L | 35.2 | Very low | 38.7 | Very low | 128 Ų | 128 | 135.1 Ų | 135.1 | 67% | 0.67 | 75% | 0.752 | S | S | * | * | trans | -70.6 | 103.6 | 175.9 | -65.1 | -175.8 | 0 | 0 | 0 | 109.5 | T67 | T67-L70 HydrophobicContact CG2-CD1 3.65Å; T67-L70 HydrophobicContact CG2-CG 4.43Å; T67-L70 PolarHBondContact O-N 2.9Å; T67-L70 VanDerWaalsContact O-N 3.11Å | ||
| 71 | K | 40.6 | Very low | 39 | Very low | 191 Ų | 191 | 130.6 Ų | 130.6 | 83% | 0.83 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 140.2 | 172.8 | -69.1 | -178.1 | 179.1 | 177.5 | 0 | 109.3 | T69 A73 | T69-K71 PolarHBondContact O-N 3.04Å; K71-A73 PolarHBondContact O-N 2.86Å |
| 72 | P | 48.8 | Very low | 39.4 | Very low | 123 Ų | 123 | 128 Ų | 128 | 80% | 0.799 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 134 | 176.1 | -23.9 | 32.3 | 0 | 0 | 0 | 111.3 | V74 | P72-V74 PolarHBondContact O-N 3.44Š|
| 73 | A | 48.3 | Very low | 39.8 | Very low | 96 Ų | 96 | 119.8 Ų | 119.8 | 79% | 0.793 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -67 | 126.1 | 164.5 | 0 | 0 | 0 | 0 | 0 | 108 | K71 S75 | K71-A73 PolarHBondContact O-N 2.86Å; A73-S75 VanDerWaalsContact C-N 3.31Å; A73-S75 PolarHBondContact O-N 2.72Å |
| 74 | V | 41 | Very low | 40.3 | Very low | 146 Ų | 146 | 116.5 Ų | 116.5 | 89% | 0.885 | 70% | 0.702 | S | S | * | * | trans | -66.2 | 95 | 168.1 | -86 | 0 | 0 | 0 | 0 | 107.6 | P72 C76 | P72-V74 PolarHBondContact O-N 3.44Å; V74-C76 PolarHBondContact O-N 2.64Å | ||
| 75 | S | 44.2 | Very low | 40.6 | Very low | 94 Ų | 94 | 114 Ų | 114 | 66% | 0.657 | 68% | 0.683 | S | S | * | * | trans | -59.1 | 122.1 | 173.1 | -177.8 | 0 | 0 | 0 | 0 | 107.9 | A73 D77 | A73-S75 VanDerWaalsContact C-N 3.31Å; A73-S75 PolarHBondContact O-N 2.72Å; S75-D77 PolarHBondContact O-N 3.32Å | ||
| 76 | C | 33.3 | Very low | 40.4 | Very low | 112 Ų | 112 | 110.7 Ų | 110.7 | 76% | 0.757 | 67% | 0.667 | S | S | * | * | trans | -55.9 | 135.6 | 169.1 | -67.2 | 0 | 0 | 0 | 0 | 109 | V74 S78 | V74-C76 PolarHBondContact O-N 2.64Å; C76-S78 PolarHBondContact O-N 3.48Å | ||
| 77 | D | 33.7 | Very low | 40.5 | Very low | 138 Ų | 138 | 111 Ų | 111 | 74% | 0.738 | 67% | 0.669 | S | S | * | * | trans | -54.6 | 104 | 171.2 | -72.9 | -44.3 | 0 | 0 | 0 | 108.3 | S75 L79 | S75-D77 PolarHBondContact O-N 3.32Å; D77-L79 HydrophobicContact CB-CD2 3.98Å; D77-L79 HydrophobicContact CB-CG 3.85Å; D77-L79 PolarHBondContact O-N 2.98Å | ||
| 78 | S | 38.9 | Very low | 40.3 | Very low | 102 Ų | 102 | 109.3 Ų | 109.3 | 71% | 0.713 | 66% | 0.656 | S | S | * | * | trans | -71.2 | 76 | 161.8 | -64.8 | 0 | 0 | 0 | 0 | 106.5 | C76 L80 | C76-S78 PolarHBondContact O-N 3.48Å; S78-L80 PolarHBondContact O-N 3.48Å | ||
| 79 | L | 34.5 | Very low | 40 | Very low | 135 Ų | 135 | 107.3 Ų | 107.3 | 71% | 0.707 | 64% | 0.642 | S | S | * | * | trans | -61.6 | 110.3 | 173.1 | -67.7 | 178 | 0 | 0 | 0 | 107.1 | D77 S81 | D77-L79 HydrophobicContact CB-CD2 3.98Å; D77-L79 HydrophobicContact CB-CG 3.85Å; D77-L79 PolarHBondContact O-N 2.98Å; L79-S81 PolarHBondContact O-N 2.77Å | ||
| 80 | L | 34.6 | Very low | 39.8 | Very low | 142 Ų | 142 | 103.9 Ų | 103.9 | 74% | 0.743 | 63% | 0.63 | S | S | * | * | trans | 60.7 | 51.8 | 153.8 | -49.5 | 175 | 0 | 0 | 0 | 115.1 | S78 L82 | S78-L80 PolarHBondContact O-N 3.48Å; L80-L82 PolarHBondContact O-N 2.87Å | ||
| 81 | S | 34.2 | Very low | 40.1 | Very low | 97 Ų | 97 | 103.6 Ų | 103.6 | 68% | 0.678 | 63% | 0.629 | S | S | * | * | trans | -68 | 69.7 | 156.2 | -57.5 | 0 | 0 | 0 | 0 | 109.5 | L79 S83 | L79-S81 PolarHBondContact O-N 2.77Å; S81-S83 PolarHBondContact O-N 2.86Å | ||
| 82 | L | 37.1 | Very low | 40.6 | Very low | 123 Ų | 123 | 99.9 Ų | 99.9 | 64% | 0.644 | 61% | 0.614 | S | S | * | * | trans | -75.5 | 47 | 158.2 | -65.4 | 175.2 | 0 | 0 | 0 | 108.7 | L80 S84 | L80-L82 PolarHBondContact O-N 2.87Å; L82-S84 PolarHBondContact O-N 3.25Å | ||
| 83 | S | 38.2 | Very low | 41 | Very low | 60 Ų | 60 | 95.3 Ų | 95.3 | 42% | 0.42 | 59% | 0.585 | S | S | . | * | trans | -76 | 85.2 | 164.1 | 55.3 | 0 | 0 | 0 | 0 | 105.9 | S81 M85 | S81-S83 PolarHBondContact O-N 2.86Å; S83-M85 PolarHBondContact O-N 2.99Å | ||
| 84 | S | 40.2 | Very low | 42.4 | Very low | 101 Ų | 101 | 93.6 Ų | 93.6 | 71% | 0.706 | 56% | 0.563 | S | S | * | * | trans | -64.1 | 79 | 160 | -175.3 | 0 | 0 | 0 | 0 | 106.7 | L82 A86 | L82-S84 PolarHBondContact O-N 3.25Å; S84-A86 VanDerWaalsContact C-N 3.35Å; S84-A86 PolarHBondContact O-N 2.7Å | ||
| 85 | M | 42.2 | Very low | 44.6 | Very low | 84 Ų | 84 | 86.7 Ų | 86.7 | 41% | 0.414 | 52% | 0.521 | S | S | . | . | trans | -70.4 | 99.7 | 174.9 | -67.5 | -58.3 | -67.5 | 0 | 0 | 106.1 | S83 W213 F274 | S83-M85 PolarHBondContact O-N 2.99Å; M85-W213 HydrophobicContact SD-CG 4.46Å; M85-F274 HydrophobicContact CE-CE2 3.93Å; M85-F274 HydrophobicContact CE-CZ 4.22Å | ||
| 86 | A | 44.6 | Very low | 46.6 | Very low | 41 Ų | 41 | 82.2 Ų | 82.2 | 34% | 0.339 | 49% | 0.49 | S | S | . | . | trans | -59 | 143.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | S84 L88 V215 | S84-A86 VanDerWaalsContact C-N 3.35Å; S84-A86 PolarHBondContact O-N 2.7Å; A86-L88 PolarHBondContact O-N 3.04Å; A86-V215 HydrophobicContact CB-CB 4.11Å; A86-V215 HydrophobicContact CB-CG2 3.25Å | ||
| 87 | D | 40.7 | Very low | 49.2 | Very low | 124 Ų | 124 | 77.5 Ų | 77.5 | 66% | 0.663 | 46% | 0.457 | S | S | * | . | trans | -60.7 | 99.6 | -174.4 | -167.7 | -5.4 | 0 | 0 | 0 | 110.8 | S89 | D87-S89 PolarHBondContact O-N 3.11Å; D87-S89 VanDerWaalsContact O-N 3.09Å; D87-S89 WeakPolarHBondContact OD1-CB 3.34Å; D87-S89 PolarHBondContact OD1-N 3.12Å; D87-S89 PolarHBondContact OD1-OG 3.09Å | ||
| 88 | L | 42.7 | Very low | 52 | Low | 51 Ų | 51 | 70.9 Ų | 70.9 | 27% | 0.267 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | 22.2 | 172.8 | -69.7 | 172.2 | 0 | 0 | 0 | 112.2 | A86 I97 R266 | A86-L88 PolarHBondContact O-N 3.04Å; L88-I97 HydrophobicContact CD1-CD1 3.84Å; L88-I97 HydrophobicContact CD2-CD1 3.36Å; L88-I97 HydrophobicContact CD2-CG1 3.91Å; L88-I97 HydrophobicContact CG-CD1 3.91Å; L88-R266 VanDerWaalsContact C-NH2 3.25Å; L88-R266 PolarHBondContact O-NH2 3.11Å |
| 89 | S | 42.9 | Very low | 54.4 | Low | 51 Ų | 51 | 67.3 Ų | 67.3 | 36% | 0.357 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.4 | 4.4 | 176.4 | 69.8 | 0 | 0 | 0 | 0 | 115.4 | D87 | D87-S89 PolarHBondContact O-N 3.11Å; D87-S89 VanDerWaalsContact O-N 3.09Å; D87-S89 WeakPolarHBondContact OD1-CB 3.34Å; D87-S89 PolarHBondContact OD1-N 3.12Å; D87-S89 PolarHBondContact OD1-OG 3.09Å |
| 90 | G | 40.5 | Very low | 57.2 | Low | 43 Ų | 43 | 61 Ų | 61 | 44% | 0.443 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -76.1 | 131.7 | 153.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | E92 | G90-E92 PolarHBondContact O-N 3.3Š|
| 91 | D | 41.1 | Very low | 59.9 | Low | 121 Ų | 121 | 58.2 Ų | 58.2 | 65% | 0.647 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | 28.9 | 174.9 | -98.6 | -22.5 | 0 | 0 | 0 | 115.1 | Q317 | D91-Q317 PolarHBondContact OD1-NE2 3.11Å; D91-Q317 PolarHBondContact OD2-NE2 3Å |
| 92 | E | 50.9 | Low | 62.7 | Low | 114 Ų | 114 | 53.7 Ų | 53.7 | 53% | 0.533 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -131.9 | 4.3 | -147.7 | -67.1 | -124 | 114 | 0 | 0 | 114.3 | G90 P218 K221 | G90-E92 PolarHBondContact O-N 3.3Å; E92-P218 WeakPolarHBondContact O-CD 3.35Å; E92-K221 WeakPolarHBondContact OE1-CE 3.38Å; E92-K221 IonicContact OE1-NZ 3.6Å; E92-K221 PolarHBondContact OE1-NZ 3.33Å; E92-K221 IonicContact OE2-NZ 2.77Å; E92-K221 PolarHBondContact OE2-NZ 3.43Å |
| 93 | S | 57.2 | Low | 65.3 | Low | 27 Ų | 27 | 48.9 Ų | 48.9 | 19% | 0.189 | 29% | 0.286 | C | S | . | . | trans | -142.4 | 64.1 | 175.7 | -65.1 | 0 | 0 | 0 | 0 | 113.1 | C95 G96 V215 L216 | S93-C95 PolarHBondContact O-N 2.93Å; S93-C95 VanDerWaalsContact O-N 3.08Å; S93-G96 PolarHBondContact O-N 3.13Å; S93-V215 WeakPolarHBondContact OG-CG1 3.29Å; S93-L216 VanDerWaalsContact CB-O 3.29Å; S93-L216 WeakPolarHBondContact CB-O 3.41Å; S93-L216 PolarHBondContact OG-O 3.43Å | ||
| 94 | D | 77.6 | Confident | 67.9 | Low | 60 Ų | 60 | 47.1 Ų | 47.1 | 32% | 0.321 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -6.1 | 165.2 | -67.7 | -34 | 0 | 0 | 0 | 113.2 | G96 A121 R122 L123 | D94-G96 VanDerWaalsContact C-N 3.26Å; D94-G96 PolarHBondContact O-N 3.37Å; D94-A121 CarbonylContact O-C 3.58Å; D94-R122 HydrophobicContact CB-CB 4.26Å; D94-R122 PolarHBondContact O-N 2.99Å; D94-R122 IonicContact OD1-CZ 3.1Å; D94-R122 VanDerWaalsContact OD1-CZ 3.25Å; D94-R122 IonicContact OD1-NE 3.07Å; D94-R122 PolarHBondContact OD1-NE 3.39Å; D94-R122 IonicContact OD1-NH2 3.98Å; D94-R122 PolarHBondContact OD1-NH2 2.87Å; D94-L123 HydrophobicContact CB-CD1 4.16Å; D94-L123 HydrophobicContact CB-CD2 3.41Å; D94-L123 VanDerWaalsContact CB-CD2 3.41Å; D94-L123 HydrophobicContact CB-CG 3.4Å; D94-L123 PolarHBondContact O-N 2.83Å |
| 95 | C | 86.7 | Confident | 70.3 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -10.6 | 175.6 | -52.2 | 0 | 0 | 0 | 0 | 113.5 | S93 L123 M179 V194 L216 P218 | S93-C95 PolarHBondContact O-N 2.93Å; S93-C95 VanDerWaalsContact O-N 3.08Å; C95-L123 VanDerWaalsContact SG-CD1 3.5Å; C95-M179 HydrophobicContact CB-CE 4.28Å; C95-M179 VanDerWaalsContact O-CE 3.3Å; C95-M179 WeakPolarHBondContact O-CE 3.39Å; C95-V194 PolarHBondContact SG-O 2.85Å; C95-V194 VanDerWaalsContact SG-O 3.41Å; C95-L216 HydrophobicContact CB-CB 3.64Å; C95-L216 WeakPolarHBondContact CB-O 3.42Å; C95-L216 WeakPolarHBondContact O-CD1 3.35Å; C95-P218 WeakPolarHBondContact SG-CA 3.39Å |
| 96 | G | 87.2 | Confident | 72.6 | Confident | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.01 | 26% | 0.255 | C | S | . | . | trans | 86 | -170.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | S93 D94 H119 D120 L216 | S93-G96 PolarHBondContact O-N 3.13Å; D94-G96 VanDerWaalsContact C-N 3.26Å; D94-G96 PolarHBondContact O-N 3.37Å; G96-H119 CarbonylContact C-O 3.47Å; G96-H119 WeakPolarHBondContact CA-O 3.26Å; G96-D120 WeakPolarHBondContact CA-O 3.48Å; G96-D120 PolarHBondContact N-O 3.28Å; G96-L216 WeakPolarHBondContact O-CB 3.41Å; G96-L216 PolarHBondContact O-N 3.36Å | ||
| 97 | I | 87 | Confident | 74.9 | Confident | 12 Ų | 12 | 50.2 Ų | 50.2 | 6% | 0.062 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 128.7 | -177.3 | -35.8 | 179.7 | 0 | 0 | 0 | 109.3 | L88 L118 H119 W213 L214 V215 | L88-I97 HydrophobicContact CD1-CD1 3.84Å; L88-I97 HydrophobicContact CD2-CD1 3.36Å; L88-I97 HydrophobicContact CD2-CG1 3.91Å; L88-I97 HydrophobicContact CG-CD1 3.91Å; I97-L118 WeakPolarHBondContact O-CA 3.5Å; I97-H119 PolarHBondContact N-O 3.03Å; I97-H119 PolarHBondContact O-N 2.6Å; I97-W213 HydrophobicContact CB-CE3 4.4Å; I97-W213 HydrophobicContact CG2-CB 4.04Å; I97-W213 HydrophobicContact CG2-CE3 3.89Å; I97-L214 WeakPolarHBondContact CA-O 3.34Å; I97-L214 WeakPolarHBondContact CG2-O 3.33Å; I97-V215 HydrophobicContact CD1-CG2 4.23Å; I97-V215 HydrophobicContact CG1-CG2 4.04Å; I97-V215 HydrophobicContact CG2-CG2 3.94Å |
| 98 | V | 92.3 | Very high | 77.4 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 130 | 176.2 | 64.5 | 0 | 0 | 0 | 0 | 110.8 | V100 Q117 L118 F132 I157 L214 L216 | V98-V100 HydrophobicContact CG1-CG2 4.13Å; V98-V100 HydrophobicContact CG2-CG2 4.14Å; V98-Q117 WeakPolarHBondContact CA-O 3.41Å; V98-L118 HydrophobicContact CB-CD1 4.4Å; V98-F132 HydrophobicContact CB-CE1 4.28Å; V98-F132 HydrophobicContact CB-CZ 4.31Å; V98-F132 HydrophobicContact CG1-CE1 4.37Å; V98-F132 HydrophobicContact CG2-CE1 4.23Å; V98-F132 HydrophobicContact CG2-CZ 4.16Å; V98-I157 HydrophobicContact CG2-CD1 4.38Å; V98-L214 HydrophobicContact CG1-CB 3.81Å; V98-L214 PolarHBondContact N-O 3.21Å; V98-L214 PolarHBondContact O-N 2.94Å; V98-L216 HydrophobicContact CG1-CD2 4.1Å; V98-L216 HydrophobicContact CG1-CG 4.38Å |
| 99 | E | 90.6 | Very high | 79.8 | Confident | 27 Ų | 27 | 48.1 Ų | 48.1 | 13% | 0.126 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 120 | 172.9 | -168.2 | -176 | 172 | 0 | 0 | 109.6 | L116 Q117 T211 W213 | E99-L116 HydrophobicContact CB-CB 4.12Å; E99-L116 HydrophobicContact CG-CB 4.16Å; E99-L116 HydrophobicContact CG-CD1 3.85Å; E99-L116 PolarHBondContact O-N 3.31Å; E99-L116 WeakPolarHBondContact OE1-CD1 3.17Å; E99-Q117 HydrophobicContact CB-CG 3.91Å; E99-Q117 PolarHBondContact N-O 3.17Å; E99-Q117 VanDerWaalsContact OE2-CD 3.3Å; E99-Q117 WeakPolarHBondContact OE2-CG 3.38Å; E99-Q117 PolarHBondContact OE2-NE2 3.26Å; E99-T211 HydrophobicContact CG-CG2 3.57Å; E99-T211 WeakPolarHBondContact OE1-CG2 3.46Å; E99-W213 HydrophobicContact CB-CD2 4.25Å; E99-W213 HydrophobicContact CB-CE3 3.95Å; E99-W213 HydrophobicContact CB-CH2 3.71Å; E99-W213 HydrophobicContact CB-CZ2 4.03Å; E99-W213 HydrophobicContact CB-CZ3 3.7Å; E99-W213 VanDerWaalsContact CD-CZ2 3.46Å; E99-W213 HydrophobicContact CG-CD2 4.22Å; E99-W213 HydrophobicContact CG-CE3 4.42Å; E99-W213 HydrophobicContact CG-CH2 3.93Å; E99-W213 HydrophobicContact CG-CZ2 3.72Å; E99-W213 HydrophobicContact CG-CZ3 4.3Å; E99-W213 WeakPolarHBondContact OE2-CH2 3.06Å; E99-W213 WeakPolarHBondContact OE2-CZ2 3.47Å |
| 100 | V | 92.8 | Very high | 82.3 | Confident | 2 Ų | 2 | 46.8 Ų | 46.8 | 1% | 0.012 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 125.9 | -178.7 | -178.3 | 0 | 0 | 0 | 0 | 109.7 | V98 L102 I113 Y114 L115 L175 N212 L214 | V98-V100 HydrophobicContact CG1-CG2 4.13Å; V98-V100 HydrophobicContact CG2-CG2 4.14Å; V100-L102 HydrophobicContact CG1-CD2 3.77Å; V100-L102 HydrophobicContact CG1-CG 4.24Å; V100-I113 HydrophobicContact CG1-CG2 4Å; V100-Y114 CarbonylContact C-O 3.46Å; V100-Y114 VanDerWaalsContact CA-O 3.29Å; V100-Y114 WeakPolarHBondContact CA-O 3.46Å; V100-L115 HydrophobicContact CG1-CD1 4.38Å; V100-L115 HydrophobicContact CG2-CD1 4.27Å; V100-L115 HydrophobicContact CG2-CG 4.36Å; V100-L175 HydrophobicContact CG1-CD2 4.08Å; V100-N212 PolarHBondContact N-O 3.16Å; V100-N212 PolarHBondContact O-N 3.11Å; V100-L214 HydrophobicContact CB-CD1 4.24Å; V100-L214 HydrophobicContact CG2-CD1 3.81Å; V100-L214 HydrophobicContact CG2-CG 4.31Å |
| 101 | R | 91.7 | Very high | 84.8 | Confident | 84 Ų | 84 | 44.8 Ų | 44.8 | 32% | 0.317 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 126.6 | 172.4 | 177 | -179.9 | 70.3 | -171.6 | 1.3 | 110.3 | Y114 L116 C210 | R101-Y114 PolarHBondContact N-O 3.49Å; R101-Y114 PolarHBondContact O-N 3.12Å; R101-L116 HydrophobicContact CB-CD1 3.84Å; R101-C210 WeakPolarHBondContact CA-O 3.39Å |
| 102 | L | 92.6 | Very high | 87.4 | Confident | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 132 | 178.5 | -58.3 | -176.9 | 0 | 0 | 0 | 109.9 | V100 S112 I113 L175 L201 L204 S209 C210 | V100-L102 HydrophobicContact CG1-CD2 3.77Å; V100-L102 HydrophobicContact CG1-CG 4.24Å; L102-S112 WeakPolarHBondContact CA-O 3.5Å; L102-I113 HydrophobicContact CD2-CB 4.04Å; L102-I113 HydrophobicContact CD2-CG1 3.78Å; L102-I113 HydrophobicContact CD2-CG2 3.82Å; L102-L175 HydrophobicContact CD1-CD2 4.49Å; L102-L175 HydrophobicContact CD2-CD2 3.9Å; L102-L201 HydrophobicContact CD1-CD2 3.76Å; L102-L204 HydrophobicContact CD1-CD1 3.31Å; L102-L204 HydrophobicContact CG-CD1 4.5Å; L102-S209 WeakPolarHBondContact O-CA 3.48Å; L102-C210 PolarHBondContact N-O 3.31Å; L102-C210 PolarHBondContact O-N 2.86Å |
| 103 | A | 91.4 | Very high | 89.5 | Confident | 22 Ų | 22 | 34.2 Ų | 34.2 | 18% | 0.182 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 148.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | S112 | A103-S112 PolarHBondContact N-O 2.87Å; A103-S112 PolarHBondContact O-N 3.16Å |
| 104 | Y | 92.4 | Very high | 91.3 | Very high | 23 Ų | 23 | 35 Ų | 35 | 9% | 0.09 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 123.7 | 177.1 | -177.3 | -100.1 | 0 | 0 | 0 | 110.9 | R106 N109 M110 L111 I165 E167 L170 | Y104-R106 HydrophobicContact CD1-CG 4.02Å; Y104-R106 HydrophobicContact CE1-CB 4.34Å; Y104-R106 HydrophobicContact CE1-CG 3.81Å; Y104-N109 WeakPolarHBondContact OH-CA 3.48Å; Y104-N109 PolarHBondContact OH-OD1 2.83Å; Y104-N109 VanDerWaalsContact OH-OD1 3.12Å; Y104-M110 CarbonylContact C-O 3.5Å; Y104-M110 WeakPolarHBondContact CA-O 2.89Å; Y104-M110 VanDerWaalsContact CD2-O 3.22Å; Y104-M110 WeakPolarHBondContact CD2-O 3.31Å; Y104-L111 HydrophobicContact CD2-CB 4.15Å; Y104-I165 WeakPolarHBondContact CE2-O 3.26Å; Y104-I165 PolarHBondContact OH-O 2.81Å; Y104-E167 HydrophobicContact CE1-CB 4.11Å; Y104-E167 HydrophobicContact CE1-CG 4.18Å; Y104-E167 WeakPolarHBondContact OH-CA 3.12Å; Y104-E167 PolarHBondContact OH-N 2.7Å; Y104-L170 HydrophobicContact CD1-CD1 3.77Å; Y104-L170 HydrophobicContact CD2-CD1 3.83Å; Y104-L170 HydrophobicContact CD2-CD2 3.89Å; Y104-L170 HydrophobicContact CD2-CG 4.37Å; Y104-L170 HydrophobicContact CE1-CD1 3.71Å; Y104-L170 HydrophobicContact CE2-CD1 3.78Å; Y104-L170 HydrophobicContact CE2-CD2 3.89Å; Y104-L170 HydrophobicContact CE2-CG 4.11Å; Y104-L170 HydrophobicContact CG-CD1 3.82Å |
| 105 | S | 91.3 | Very high | 92.2 | Very high | 45 Ų | 45 | 32.2 Ų | 32.2 | 32% | 0.315 | 17% | 0.168 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 106.3 | 175.7 | 171.5 | 0 | 0 | 0 | 0 | 109.5 | T108 N109 M110 | S105-T108 VanDerWaalsContact CB-OG1 3.23Å; S105-T108 WeakPolarHBondContact CB-OG1 3.41Å; S105-T108 PolarHBondContact O-N 2.69Å; S105-T108 PolarHBondContact OG-OG1 3.22Å; S105-N109 WeakPolarHBondContact O-CA 3.41Å; S105-N109 PolarHBondContact O-N 3.2Å; S105-M110 PolarHBondContact N-O 2.98Å; S105-M110 PolarHBondContact O-N 3.45Å; S105-M110 VanDerWaalsContact O-N 3.11Å |
| 106 | R | 90.8 | Very high | 92.5 | Very high | 127 Ų | 127 | 33.9 Ų | 33.9 | 48% | 0.479 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -44.1 | 176.2 | -61.7 | 172.4 | 179.6 | -114.6 | -7.1 | 113.1 | Y104 T108 N109 E167 | Y104-R106 HydrophobicContact CD1-CG 4.02Å; Y104-R106 HydrophobicContact CE1-CB 4.34Å; Y104-R106 HydrophobicContact CE1-CG 3.81Å; R106-T108 VanDerWaalsContact C-N 3.26Å; R106-T108 PolarHBondContact O-N 3.26Å; R106-N109 PolarHBondContact O-N 2.63Å; R106-E167 IonicContact CZ-OE1 3.64Å; R106-E167 IonicContact CZ-OE2 2.74Å; R106-E167 IonicContact NE-OE1 3.92Å; R106-E167 IonicContact NE-OE2 2.92Å; R106-E167 IonicContact NH1-OE1 2.64Å; R106-E167 PolarHBondContact NH1-OE1 3.16Å; R106-E167 IonicContact NH1-OE2 2.65Å; R106-E167 PolarHBondContact NH1-OE2 3.31Å; R106-E167 IonicContact NH2-OE1 3.93Å; R106-E167 PolarHBondContact NH2-OE1 2.91Å |
| 107 | P | 91.8 | Very high | 92.8 | Very high | 119 Ų | 119 | 35.5 Ų | 35.5 | 77% | 0.773 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -34.6 | -178.7 | -25.3 | 35.4 | 0 | 0 | 0 | 113.7 | ||
| 108 | T | 93.3 | Very high | 93.1 | Very high | 83 Ų | 83 | 35 Ų | 35 | 51% | 0.509 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | -1.6 | -178 | 55.8 | 0 | 0 | 0 | 0 | 113.5 | S105 R106 M110 | S105-T108 VanDerWaalsContact CB-OG1 3.23Å; S105-T108 WeakPolarHBondContact CB-OG1 3.41Å; S105-T108 PolarHBondContact O-N 2.69Å; S105-T108 PolarHBondContact OG-OG1 3.22Å; R106-T108 VanDerWaalsContact C-N 3.26Å; R106-T108 PolarHBondContact O-N 3.26Å; T108-M110 PolarHBondContact O-N 3.07Å; T108-M110 WeakPolarHBondContact OG1-CB 3.37Å |
| 109 | N | 94.2 | Very high | 92.7 | Very high | 49 Ų | 49 | 35.4 Ų | 35.4 | 26% | 0.262 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 47.3 | 42.6 | -169.7 | -66 | -68.6 | 0 | 0 | 0 | 112.5 | Y104 S105 R106 C164 I165 F166 | Y104-N109 WeakPolarHBondContact OH-CA 3.48Å; Y104-N109 PolarHBondContact OH-OD1 2.83Å; Y104-N109 VanDerWaalsContact OH-OD1 3.12Å; S105-N109 WeakPolarHBondContact O-CA 3.41Å; S105-N109 PolarHBondContact O-N 3.2Å; R106-N109 PolarHBondContact O-N 2.63Å; N109-C164 CarbonylContact O-C 3.54Å; N109-C164 VanDerWaalsContact O-CA 3.31Å; N109-C164 WeakPolarHBondContact O-CA 3.27Å; N109-I165 CarbonylContact C-O 3.59Å; N109-I165 PolarHBondContact O-N 3.11Å; N109-I165 VanDerWaalsContact O-O 3.05Å; N109-F166 HydrophobicContact CB-CD1 4.33Å |
| 110 | M | 94.6 | Very high | 92.3 | Very high | 23 Ų | 23 | 36.7 Ų | 36.7 | 11% | 0.113 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 124 | -173.8 | -164.4 | 68.4 | 82.3 | 0 | 0 | 110.7 | Y104 S105 T108 E162 Q163 | Y104-M110 CarbonylContact C-O 3.5Å; Y104-M110 WeakPolarHBondContact CA-O 2.89Å; Y104-M110 VanDerWaalsContact CD2-O 3.22Å; Y104-M110 WeakPolarHBondContact CD2-O 3.31Å; S105-M110 PolarHBondContact N-O 2.98Å; S105-M110 PolarHBondContact O-N 3.45Å; S105-M110 VanDerWaalsContact O-N 3.11Å; T108-M110 PolarHBondContact O-N 3.07Å; T108-M110 WeakPolarHBondContact OG1-CB 3.37Å; M110-E162 HydrophobicContact CG-CB 4.08Å; M110-E162 HydrophobicContact CG-CG 4.38Å; M110-E162 HydrophobicContact SD-CB 3.8Å; M110-Q163 VanDerWaalsContact SD-C 3.52Å |
| 111 | L | 93.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 121 | 165.5 | 176.4 | 71.1 | 0 | 0 | 0 | 108.6 | Y104 I113 L136 E162 Q163 I165 L201 | Y104-L111 HydrophobicContact CD2-CB 4.15Å; L111-I113 HydrophobicContact CD2-CD1 4.14Å; L111-I113 HydrophobicContact CD2-CG1 4.17Å; L111-I113 HydrophobicContact CG-CG1 4.13Å; L111-L136 HydrophobicContact CD2-CD1 4.25Å; L111-L136 HydrophobicContact CD2-CD2 4Å; L111-E162 WeakPolarHBondContact O-CA 3.41Å; L111-Q163 PolarHBondContact N-O 3.46Å; L111-Q163 PolarHBondContact O-N 3.4Å; L111-I165 HydrophobicContact CB-CD1 4.09Å; L111-I165 HydrophobicContact CB-CG1 4.49Å; L111-I165 HydrophobicContact CD2-CD1 3.61Å; L111-L201 HydrophobicContact CD1-CD1 4.36Å; L111-L201 HydrophobicContact CD2-CD1 3.7Å |
| 112 | S | 94.5 | Very high | 91.8 | Very high | 14 Ų | 14 | 39.7 Ų | 39.7 | 10% | 0.098 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 128.3 | 173.4 | -47.2 | 0 | 0 | 0 | 0 | 109.5 | L102 A103 F161 E162 | L102-S112 WeakPolarHBondContact CA-O 3.5Å; A103-S112 PolarHBondContact N-O 2.87Å; A103-S112 PolarHBondContact O-N 3.16Å; S112-F161 CarbonylContact C-O 3.56Å; S112-F161 WeakPolarHBondContact CA-O 3.5Å; S112-E162 PolarHBondContact OG-OE1 3.02Å |
| 113 | I | 95.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 116 | -177.6 | -55.5 | 161.2 | 0 | 0 | 0 | 107.5 | V100 L102 L111 L115 L134 L136 F144 E160 F161 L175 | V100-I113 HydrophobicContact CG1-CG2 4Å; L102-I113 HydrophobicContact CD2-CB 4.04Å; L102-I113 HydrophobicContact CD2-CG1 3.78Å; L102-I113 HydrophobicContact CD2-CG2 3.82Å; L111-I113 HydrophobicContact CD2-CD1 4.14Å; L111-I113 HydrophobicContact CD2-CG1 4.17Å; L111-I113 HydrophobicContact CG-CG1 4.13Å; I113-L115 HydrophobicContact CG2-CD1 3.8Å; I113-L134 HydrophobicContact CG2-CD1 4.13Å; I113-L136 HydrophobicContact CD1-CD1 4.48Å; I113-L136 HydrophobicContact CD1-CD2 4.14Å; I113-F144 HydrophobicContact CD1-CD2 4.35Å; I113-F144 HydrophobicContact CD1-CE2 4.06Å; I113-E160 CarbonylContact O-C 3.59Å; I113-E160 WeakPolarHBondContact O-CA 3.16Å; I113-F161 HydrophobicContact CB-CB 4.47Å; I113-F161 PolarHBondContact N-O 2.9Å; I113-F161 PolarHBondContact O-N 3.19Å; I113-L175 HydrophobicContact CD1-CD1 4.1Å; I113-L175 HydrophobicContact CG2-CD2 3.97Å |
| 114 | Y | 95.3 | Very high | 91.3 | Very high | 44 Ų | 44 | 42.5 Ų | 42.5 | 17% | 0.173 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 117.4 | 176.1 | -64.2 | -99.1 | 0 | 0 | 0 | 109.2 | V100 R101 E159 E160 | V100-Y114 CarbonylContact C-O 3.46Å; V100-Y114 VanDerWaalsContact CA-O 3.29Å; V100-Y114 WeakPolarHBondContact CA-O 3.46Å; R101-Y114 PolarHBondContact N-O 3.49Å; R101-Y114 PolarHBondContact O-N 3.12Å; Y114-E159 CarbonylContact C-O 3.57Å; Y114-E159 WeakPolarHBondContact CA-O 3.11Å; Y114-E160 HydrophobicContact CD1-CB 3.69Å; Y114-E160 HydrophobicContact CD1-CG 3.81Å; Y114-E160 HydrophobicContact CD2-CG 4.49Å; Y114-E160 HydrophobicContact CE1-CB 3.66Å; Y114-E160 HydrophobicContact CE1-CG 3.46Å; Y114-E160 VanDerWaalsContact CE1-CG 3.46Å; Y114-E160 WeakPolarHBondContact CE1-OE2 3.36Å; Y114-E160 HydrophobicContact CE2-CG 4.19Å; Y114-E160 HydrophobicContact CG-CB 4.44Å; Y114-E160 HydrophobicContact CG-CG 4.32Å; Y114-E160 PolarHBondContact OH-OE1 3.47Å; Y114-E160 PolarHBondContact OH-OE2 2.9Å |
| 115 | L | 96.3 | Very high | 91 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 112.4 | 166.6 | -91.9 | 64.7 | 0 | 0 | 0 | 107.8 | V100 I113 F132 L134 T146 I157 E158 E159 | V100-L115 HydrophobicContact CG1-CD1 4.38Å; V100-L115 HydrophobicContact CG2-CD1 4.27Å; V100-L115 HydrophobicContact CG2-CG 4.36Å; I113-L115 HydrophobicContact CG2-CD1 3.8Å; L115-F132 HydrophobicContact CD2-CB 3.67Å; L115-F132 HydrophobicContact CD2-CD1 4.29Å; L115-F132 HydrophobicContact CD2-CD2 4.2Å; L115-F132 HydrophobicContact CD2-CG 3.8Å; L115-L134 HydrophobicContact CD1-CD1 3.53Å; L115-L134 HydrophobicContact CD1-CD2 3.97Å; L115-L134 HydrophobicContact CD1-CG 4.39Å; L115-L134 HydrophobicContact CD2-CD1 4.34Å; L115-L134 HydrophobicContact CD2-CD2 3.91Å; L115-T146 HydrophobicContact CD2-CG2 3.76Å; L115-I157 HydrophobicContact CB-CB 4.45Å; L115-I157 HydrophobicContact CB-CG2 3.98Å; L115-E158 CarbonylContact O-C 3.54Å; L115-E158 VanDerWaalsContact O-CA 3.26Å; L115-E158 WeakPolarHBondContact O-CA 3.43Å; L115-E158 PolarHBondContact O-N 3.17Å; L115-E159 PolarHBondContact N-O 3.19Å; L115-E159 PolarHBondContact O-N 3.4Å |
| 116 | L | 93.2 | Very high | 90.8 | Very high | 35 Ų | 35 | 47.5 Ų | 47.5 | 18% | 0.183 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | -61.4 | -172.4 | -70.5 | 159.6 | 0 | 0 | 0 | 110.5 | E99 R101 I157 E158 | E99-L116 HydrophobicContact CB-CB 4.12Å; E99-L116 HydrophobicContact CG-CB 4.16Å; E99-L116 HydrophobicContact CG-CD1 3.85Å; E99-L116 PolarHBondContact O-N 3.31Å; E99-L116 WeakPolarHBondContact OE1-CD1 3.17Å; R101-L116 HydrophobicContact CB-CD1 3.84Å; L116-I157 PolarHBondContact O-N 2.88Å; L116-E158 PolarHBondContact O-N 2.94Å |
| 117 | Q | 93.6 | Very high | 90.7 | Very high | 36 Ų | 36 | 43.9 Ų | 43.9 | 17% | 0.168 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.3 | 156.8 | -174.1 | 49.4 | -178.7 | 3.4 | 0 | 0 | 112.2 | V98 E99 H119 T155 | V98-Q117 WeakPolarHBondContact CA-O 3.41Å; E99-Q117 HydrophobicContact CB-CG 3.91Å; E99-Q117 PolarHBondContact N-O 3.17Å; E99-Q117 VanDerWaalsContact OE2-CD 3.3Å; E99-Q117 WeakPolarHBondContact OE2-CG 3.38Å; E99-Q117 PolarHBondContact OE2-NE2 3.26Å; Q117-H119 WeakPolarHBondContact CG-NE2 3.29Å; Q117-H119 PolarHBondContact NE2-NE2 2.71Å; Q117-H119 VanDerWaalsContact NE2-NE2 3.14Å; Q117-H119 PolarHBondContact OE1-NE2 2.84Å; Q117-T155 CarbonylContact C-O 3.46Å; Q117-T155 WeakPolarHBondContact CA-O 3.44Å; Q117-T155 WeakPolarHBondContact CB-O 3.38Å |
| 118 | L | 92.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 138.4 | 174.1 | 168.4 | 72.3 | 0 | 0 | 0 | 109.4 | I97 V98 A121 I130 F132 T154 T155 I157 M179 L216 | I97-L118 WeakPolarHBondContact O-CA 3.5Å; V98-L118 HydrophobicContact CB-CD1 4.4Å; L118-A121 HydrophobicContact CD1-CB 4.32Å; L118-A121 HydrophobicContact CD2-CB 3.74Å; L118-A121 HydrophobicContact CG-CB 4.06Å; L118-I130 HydrophobicContact CD2-CD1 3.28Å; L118-F132 HydrophobicContact CB-CZ 4.5Å; L118-F132 HydrophobicContact CD1-CZ 4.29Å; L118-F132 HydrophobicContact CD2-CE2 4.37Å; L118-F132 HydrophobicContact CD2-CZ 4.19Å; L118-T154 CarbonylContact O-C 3.59Å; L118-T155 PolarHBondContact N-O 2.86Å; L118-T155 PolarHBondContact O-N 3.32Å; L118-I157 HydrophobicContact CB-CD1 4.28Å; L118-M179 HydrophobicContact CD1-SD 4.25Å; L118-M179 HydrophobicContact CD2-SD 3.42Å; L118-M179 WeakPolarHBondContact CD2-SD 3.41Å; L118-M179 HydrophobicContact CG-SD 4.48Å; L118-L216 HydrophobicContact CD1-CD1 3.69Å |
| 119 | H | 84.5 | Confident | 90.7 | Very high | 9 Ų | 9 | 41.3 Ų | 41.3 | 4% | 0.042 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 148.7 | -179.8 | -68.6 | -89.1 | 0 | 0 | 0 | 111.9 | G96 I97 Q117 A121 T154 W213 T272 | G96-H119 CarbonylContact C-O 3.47Å; G96-H119 WeakPolarHBondContact CA-O 3.26Å; I97-H119 PolarHBondContact N-O 3.03Å; I97-H119 PolarHBondContact O-N 2.6Å; Q117-H119 WeakPolarHBondContact CG-NE2 3.29Å; Q117-H119 PolarHBondContact NE2-NE2 2.71Å; Q117-H119 VanDerWaalsContact NE2-NE2 3.14Å; Q117-H119 PolarHBondContact OE1-NE2 2.84Å; H119-A121 VanDerWaalsContact C-N 3.28Å; H119-A121 PolarHBondContact O-N 3.09Å; H119-T154 WeakPolarHBondContact CE1-CG2 3.19Å; H119-T154 PolarHBondContact CE1-OG1 2.65Å; H119-T154 VanDerWaalsContact CE1-OG1 3.24Å; H119-T154 PolarHBondContact ND1-OG1 2.77Å; H119-W213 AromaticContact CD2-CH2 3.87Å; H119-W213 AromaticContact CD2-CZ3 3.58Å; H119-W213 AromaticContact NE2-CH2 3.96Å; H119-T272 HydrophobicContact CB-CG2 4.46Å; H119-T272 VanDerWaalsContact CD2-CG2 3.46Å; H119-T272 WeakPolarHBondContact CD2-CG2 3.26Å; H119-T272 WeakPolarHBondContact CE1-CB 3.42Å; H119-T272 WeakPolarHBondContact CE1-CG2 3.34Å; H119-T272 PolarHBondContact CE1-OG1 2.91Å; H119-T272 WeakPolarHBondContact ND1-CB 3.21Å; H119-T272 PolarHBondContact ND1-OG1 2.86Å; H119-T272 WeakPolarHBondContact NE2-CG2 3.06Å |
| 120 | D | 83.3 | Confident | 90.8 | Very high | 55 Ų | 55 | 39.1 Ų | 39.1 | 29% | 0.294 | 21% | 0.214 | S | C | . | . | trans | 59.1 | 35.7 | 168.3 | -164.9 | 27.5 | 0 | 0 | 0 | 113.9 | G96 R122 V153 | G96-D120 WeakPolarHBondContact CA-O 3.48Å; G96-D120 PolarHBondContact N-O 3.28Å; D120-R122 PolarHBondContact O-N 3.38Å; D120-R122 WeakPolarHBondContact OD1-CD 3.19Å; D120-R122 VanDerWaalsContact OD1-CG 3.27Å; D120-R122 WeakPolarHBondContact OD1-CG 3.43Å; D120-R122 IonicContact OD1-CZ 3.6Å; D120-R122 IonicContact OD1-NE 3.88Å; D120-R122 IonicContact OD1-NH1 3.27Å; D120-R122 PolarHBondContact OD1-NH1 2.92Å; D120-R122 IonicContact OD2-CZ 3.25Å; D120-R122 IonicContact OD2-NH1 2.65Å; D120-R122 PolarHBondContact OD2-NH1 3.38Å; D120-V153 PolarHBondContact N-O 3.27Å | ||
| 121 | A | 88 | Confident | 91 | Very high | 8 Ų | 8 | 38.8 Ų | 38.8 | 7% | 0.066 | 21% | 0.211 | C | C | . | . | trans | -78.8 | 62.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | D94 L118 H119 L123 I124 | D94-A121 CarbonylContact O-C 3.58Å; L118-A121 HydrophobicContact CD1-CB 4.32Å; L118-A121 HydrophobicContact CD2-CB 3.74Å; L118-A121 HydrophobicContact CG-CB 4.06Å; H119-A121 VanDerWaalsContact C-N 3.28Å; H119-A121 PolarHBondContact O-N 3.09Å; A121-L123 VanDerWaalsContact C-N 3.26Å; A121-L123 PolarHBondContact O-N 3.15Å; A121-I124 HydrophobicContact CB-CD1 4.18Å; A121-I124 PolarHBondContact O-N 2.93Å; A121-I124 VanDerWaalsContact O-N 3.08Å | ||
| 122 | R | 84.3 | Confident | 91.2 | Very high | 140 Ų | 140 | 38.9 Ų | 38.9 | 53% | 0.528 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -23.8 | -173.6 | -61.3 | -170.7 | -68 | -95.3 | -3 | 115.6 | D94 D120 I124 | D94-R122 HydrophobicContact CB-CB 4.26Å; D94-R122 PolarHBondContact O-N 2.99Å; D94-R122 IonicContact OD1-CZ 3.1Å; D94-R122 VanDerWaalsContact OD1-CZ 3.25Å; D94-R122 IonicContact OD1-NE 3.07Å; D94-R122 PolarHBondContact OD1-NE 3.39Å; D94-R122 IonicContact OD1-NH2 3.98Å; D94-R122 PolarHBondContact OD1-NH2 2.87Å; D120-R122 PolarHBondContact O-N 3.38Å; D120-R122 WeakPolarHBondContact OD1-CD 3.19Å; D120-R122 VanDerWaalsContact OD1-CG 3.27Å; D120-R122 WeakPolarHBondContact OD1-CG 3.43Å; D120-R122 IonicContact OD1-CZ 3.6Å; D120-R122 IonicContact OD1-NE 3.88Å; D120-R122 IonicContact OD1-NH1 3.27Å; D120-R122 PolarHBondContact OD1-NH1 2.92Å; D120-R122 IonicContact OD2-CZ 3.25Å; D120-R122 IonicContact OD2-NH1 2.65Å; D120-R122 PolarHBondContact OD2-NH1 3.38Å; R122-I124 PolarHBondContact O-N 3.06Å |
| 123 | L | 85.1 | Confident | 91.3 | Very high | 76 Ų | 76 | 39.5 Ų | 39.5 | 40% | 0.398 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -15.2 | 175.6 | -66.4 | -173.5 | 0 | 0 | 0 | 113.6 | D94 C95 A121 V194 | D94-L123 HydrophobicContact CB-CD1 4.16Å; D94-L123 HydrophobicContact CB-CD2 3.41Å; D94-L123 VanDerWaalsContact CB-CD2 3.41Å; D94-L123 HydrophobicContact CB-CG 3.4Å; D94-L123 PolarHBondContact O-N 2.83Å; C95-L123 VanDerWaalsContact SG-CD1 3.5Å; A121-L123 VanDerWaalsContact C-N 3.26Å; A121-L123 PolarHBondContact O-N 3.15Å; L123-V194 HydrophobicContact CB-CG1 4.03Å; L123-V194 HydrophobicContact CD1-CG1 4.12Å |
| 124 | I | 88.7 | Confident | 91.4 | Very high | 7 Ų | 7 | 39.5 Ų | 39.5 | 4% | 0.036 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -107.5 | 118.2 | -177.3 | -63.8 | 151.2 | 0 | 0 | 0 | 108.2 | A121 R122 N128 I130 C151 M179 V194 | A121-I124 HydrophobicContact CB-CD1 4.18Å; A121-I124 PolarHBondContact O-N 2.93Å; A121-I124 VanDerWaalsContact O-N 3.08Å; R122-I124 PolarHBondContact O-N 3.06Å; I124-N128 HydrophobicContact CG2-CB 3.96Å; I124-I130 HydrophobicContact CD1-CG2 3.65Å; I124-I130 HydrophobicContact CG1-CG2 4.3Å; I124-I130 HydrophobicContact CG2-CG2 3.83Å; I124-C151 HydrophobicContact CB-CB 4.49Å; I124-C151 HydrophobicContact CG2-CB 3.61Å; I124-M179 HydrophobicContact CD1-CE 3.32Å; I124-M179 HydrophobicContact CD1-CG 4.46Å; I124-M179 HydrophobicContact CD1-SD 3.62Å; I124-V194 HydrophobicContact CD1-CG1 4.15Å; I124-V194 HydrophobicContact CD1-CG2 4.3Å; I124-V194 HydrophobicContact CG1-CG1 4.18Å; I124-V194 HydrophobicContact CG1-CG2 4.24Å |
| 125 | P | 87.3 | Confident | 91.5 | Very high | 61 Ų | 61 | 38.6 Ų | 38.6 | 40% | 0.396 | 21% | 0.21 | S | C | . | . | trans | -57 | 138.5 | 172.2 | -24.2 | 32.3 | 0 | 0 | 0 | 111.3 | G127 N128 L184 | P125-G127 PolarHBondContact O-N 2.78Å; P125-N128 WeakPolarHBondContact CD-ND2 3.49Å; P125-N128 WeakPolarHBondContact O-CB 3.48Å; P125-N128 PolarHBondContact O-N 2.86Å; P125-L184 HydrophobicContact CG-CD1 4.31Å | ||
| 126 | P | 87.1 | Confident | 91.4 | Very high | 112 Ų | 112 | 38.6 Ų | 38.6 | 73% | 0.727 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | 139.9 | 179.4 | 25.3 | -33.6 | 0 | 0 | 0 | 110.9 | C151 | P126-C151 WeakPolarHBondContact CA-O 3.31Š|
| 127 | G | 87.4 | Confident | 91.4 | Very high | 50 Ų | 50 | 38.7 Ų | 38.7 | 52% | 0.515 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 94.9 | -20.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | P125 C151 | P125-G127 PolarHBondContact O-N 2.78Å; G127-C151 PolarHBondContact N-O 3.13Å |
| 128 | N | 91.7 | Very high | 91.3 | Very high | 54 Ų | 54 | 40.5 Ų | 40.5 | 29% | 0.289 | 23% | 0.226 | S | C | . | . | trans | -71.2 | 141.3 | 177.3 | -72.4 | -14.7 | 0 | 0 | 0 | 111.8 | I124 P125 C151 L184 | I124-N128 HydrophobicContact CG2-CB 3.96Å; P125-N128 WeakPolarHBondContact CD-ND2 3.49Å; P125-N128 WeakPolarHBondContact O-CB 3.48Å; P125-N128 PolarHBondContact O-N 2.86Å; N128-C151 VanDerWaalsContact O-CB 3.28Å; N128-C151 WeakPolarHBondContact O-CB 3.2Å; N128-C151 PolarHBondContact O-N 2.7Å; N128-L184 WeakPolarHBondContact ND2-CD2 3.47Å | ||
| 129 | E | 94.5 | Very high | 90.9 | Very high | 95 Ų | 95 | 42.9 Ų | 42.9 | 44% | 0.444 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 132.6 | 179.9 | -64.8 | -172.2 | 156.4 | 0 | 0 | 112 | P148 I149 T181 H182 | E129-P148 HydrophobicContact CB-CB 4.35Å; E129-I149 CarbonylContact C-O 3.42Å; E129-I149 WeakPolarHBondContact CA-O 3.38Å; E129-T181 WeakPolarHBondContact O-CA 3.46Å; E129-T181 PolarHBondContact O-OG1 2.74Å; E129-H182 IonicContact OE2-NE2 3.81Å |
| 130 | I | 96 | Very high | 90.7 | Very high | 3 Ų | 3 | 51.3 Ų | 51.3 | 2% | 0.015 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 155.5 | 175.2 | 64.1 | 163.9 | 0 | 0 | 0 | 110.8 | L118 I124 F132 P148 I149 C151 T155 M179 Y180 | L118-I130 HydrophobicContact CD2-CD1 3.28Å; I124-I130 HydrophobicContact CD1-CG2 3.65Å; I124-I130 HydrophobicContact CG1-CG2 4.3Å; I124-I130 HydrophobicContact CG2-CG2 3.83Å; I130-F132 HydrophobicContact CD1-CE2 4.29Å; I130-P148 CarbonylContact O-C 3.56Å; I130-P148 WeakPolarHBondContact O-CA 3.5Å; I130-I149 WeakPolarHBondContact CG1-O 3.34Å; I130-I149 PolarHBondContact N-O 3.07Å; I130-I149 PolarHBondContact O-N 2.65Å; I130-C151 HydrophobicContact CD1-CB 4.48Å; I130-C151 HydrophobicContact CG1-CB 4.44Å; I130-C151 HydrophobicContact CG2-CB 3.99Å; I130-T155 HydrophobicContact CD1-CG2 4.05Å; I130-M179 HydrophobicContact CD1-SD 4.28Å; I130-Y180 CarbonylContact C-O 3.56Å; I130-Y180 WeakPolarHBondContact CA-O 3.14Å |
| 131 | W | 97.5 | Very high | 90.9 | Very high | 15 Ų | 15 | 55.9 Ų | 55.9 | 6% | 0.057 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 160.6 | 169.2 | 61.4 | 91.8 | 0 | 0 | 0 | 110.7 | T146 Y180 H182 A191 | W131-T146 WeakPolarHBondContact CA-OG1 3.37Å; W131-Y180 VanDerWaalsContact CE2-CB 3.42Å; W131-Y180 PolarHBondContact N-O 3.04Å; W131-Y180 AromaticContact NE1-CG 3.94Å; W131-Y180 PolarHBondContact O-N 3.43Å; W131-H182 AromaticContact CH2-CE1 3.9Å; W131-H182 AromaticContact CH2-NE2 3.91Å; W131-H182 AromaticContact CZ3-CD2 3.63Å; W131-H182 AromaticContact CZ3-NE2 3.55Å; W131-A191 HydrophobicContact CH2-CB 4.16Å; W131-A191 HydrophobicContact CZ2-CB 3.6Å |
| 132 | F | 98 | Very high | 91 | Very high | 2 Ų | 2 | 58.4 Ų | 58.4 | 1% | 0.009 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 140.7 | 177.5 | -73 | -98.9 | 0 | 0 | 0 | 111.5 | V98 L115 L118 I130 L134 K145 T146 I157 C177 Q178 M179 L216 | V98-F132 HydrophobicContact CB-CE1 4.28Å; V98-F132 HydrophobicContact CB-CZ 4.31Å; V98-F132 HydrophobicContact CG1-CE1 4.37Å; V98-F132 HydrophobicContact CG2-CE1 4.23Å; V98-F132 HydrophobicContact CG2-CZ 4.16Å; L115-F132 HydrophobicContact CD2-CB 3.67Å; L115-F132 HydrophobicContact CD2-CD1 4.29Å; L115-F132 HydrophobicContact CD2-CD2 4.2Å; L115-F132 HydrophobicContact CD2-CG 3.8Å; L118-F132 HydrophobicContact CB-CZ 4.5Å; L118-F132 HydrophobicContact CD1-CZ 4.29Å; L118-F132 HydrophobicContact CD2-CE2 4.37Å; L118-F132 HydrophobicContact CD2-CZ 4.19Å; I130-F132 HydrophobicContact CD1-CE2 4.29Å; F132-L134 HydrophobicContact CB-CD2 4.33Å; F132-K145 VanDerWaalsContact O-CA 3.31Å; F132-K145 WeakPolarHBondContact O-CA 3.12Å; F132-T146 HydrophobicContact CB-CG2 3.85Å; F132-T146 PolarHBondContact N-OG1 2.77Å; F132-T146 PolarHBondContact O-N 2.96Å; F132-I157 HydrophobicContact CD2-CD1 3.82Å; F132-I157 HydrophobicContact CE2-CD1 3.51Å; F132-I157 HydrophobicContact CZ-CD1 4.32Å; F132-C177 HydrophobicContact CD1-CB 4.45Å; F132-Q178 CarbonylContact C-O 3.56Å; F132-Q178 WeakPolarHBondContact CA-O 3.07Å; F132-M179 HydrophobicContact CD1-CB 4.09Å; F132-M179 HydrophobicContact CE1-CB 3.6Å; F132-M179 HydrophobicContact CE1-CG 4.07Å; F132-M179 HydrophobicContact CE2-CG 4.12Å; F132-M179 HydrophobicContact CE2-SD 4.4Å; F132-M179 HydrophobicContact CZ-CB 3.83Å; F132-M179 HydrophobicContact CZ-CG 3.76Å; F132-M179 HydrophobicContact CZ-SD 3.85Å; F132-L216 HydrophobicContact CE1-CD1 4.07Å; F132-L216 HydrophobicContact CE1-CD2 4.31Å; F132-L216 HydrophobicContact CZ-CD1 4.2Å |
| 133 | L | 97.4 | Very high | 91.5 | Very high | 28 Ų | 28 | 53.6 Ų | 53.6 | 15% | 0.147 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 130.3 | 162 | -62.3 | -172.8 | 0 | 0 | 0 | 109 | F135 P142 K145 Q178 Y180 | L133-F135 HydrophobicContact CB-CE2 3.73Å; L133-F135 HydrophobicContact CB-CZ 4.36Å; L133-P142 HydrophobicContact CB-CB 4.18Å; L133-P142 HydrophobicContact CD1-CB 4.42Å; L133-P142 HydrophobicContact CD1-CG 4.45Å; L133-P142 HydrophobicContact CD2-CB 4.47Å; L133-K145 HydrophobicContact CD2-CB 3.64Å; L133-K145 HydrophobicContact CD2-CD 3.81Å; L133-K145 HydrophobicContact CD2-CG 3.6Å; L133-Q178 HydrophobicContact CB-CB 4.48Å; L133-Q178 PolarHBondContact N-O 2.77Å; L133-Q178 PolarHBondContact O-N 3.26Å; L133-Y180 HydrophobicContact CB-CD2 4.48Å; L133-Y180 HydrophobicContact CB-CE2 4.19Å; L133-Y180 HydrophobicContact CD1-CD2 4.1Å; L133-Y180 HydrophobicContact CD1-CE2 3.6Å; L133-Y180 HydrophobicContact CG-CD2 3.97Å; L133-Y180 HydrophobicContact CG-CE2 3.86Å |
| 134 | L | 97.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 126.3 | 179.7 | -48.4 | -179.3 | 0 | 0 | 0 | 110.1 | I113 L115 F132 L143 F144 F161 L175 L176 C177 | I113-L134 HydrophobicContact CG2-CD1 4.13Å; L115-L134 HydrophobicContact CD1-CD1 3.53Å; L115-L134 HydrophobicContact CD1-CD2 3.97Å; L115-L134 HydrophobicContact CD1-CG 4.39Å; L115-L134 HydrophobicContact CD2-CD1 4.34Å; L115-L134 HydrophobicContact CD2-CD2 3.91Å; F132-L134 HydrophobicContact CB-CD2 4.33Å; L134-L143 PolarHBondContact O-N 2.82Å; L134-F144 HydrophobicContact CB-CB 4.04Å; L134-F144 HydrophobicContact CB-CD2 4.19Å; L134-F144 HydrophobicContact CD1-CB 4.07Å; L134-F144 HydrophobicContact CD1-CD2 4.36Å; L134-F144 HydrophobicContact CG-CB 4.25Å; L134-F144 PolarHBondContact N-O 3.27Å; L134-F144 PolarHBondContact O-N 3.01Å; L134-F161 HydrophobicContact CD1-CD2 3.51Å; L134-F161 HydrophobicContact CD1-CE2 3.77Å; L134-F161 HydrophobicContact CD1-CG 4.25Å; L134-L175 HydrophobicContact CB-CD1 4.19Å; L134-L176 WeakPolarHBondContact CA-O 3.33Å; L134-C177 HydrophobicContact CD2-CB 4.04Å; L134-C177 VanDerWaalsContact CD2-SG 3.6Å |
| 135 | F | 96.8 | Very high | 92.5 | Very high | 24 Ų | 24 | 57 Ų | 57 | 11% | 0.105 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 137.1 | 176.7 | -55.3 | -111.5 | 0 | 0 | 0 | 109 | L133 L137 P142 L175 L176 Q178 | L133-F135 HydrophobicContact CB-CE2 3.73Å; L133-F135 HydrophobicContact CB-CZ 4.36Å; F135-L137 HydrophobicContact CB-CD2 4.08Å; F135-P142 HydrophobicContact CD1-CB 4.17Å; F135-P142 HydrophobicContact CD2-CB 4.46Å; F135-P142 HydrophobicContact CE1-CB 3.79Å; F135-P142 VanDerWaalsContact CE1-CD 3.5Å; F135-P142 HydrophobicContact CE1-CG 4.14Å; F135-P142 VanDerWaalsContact CE1-N 3.29Å; F135-P142 HydrophobicContact CE2-CB 4.07Å; F135-P142 HydrophobicContact CG-CB 4.49Å; F135-P142 HydrophobicContact CZ-CB 3.72Å; F135-P142 HydrophobicContact CZ-CG 4.18Å; F135-L175 WeakPolarHBondContact O-CA 3.45Å; F135-L176 HydrophobicContact CB-CB 4.18Å; F135-L176 HydrophobicContact CB-CD2 4.41Å; F135-L176 HydrophobicContact CD2-CD2 4.09Å; F135-L176 HydrophobicContact CD2-CG 4.31Å; F135-L176 HydrophobicContact CG-CD2 4.32Å; F135-L176 PolarHBondContact N-O 2.91Å; F135-L176 PolarHBondContact O-N 3.43Å; F135-Q178 HydrophobicContact CE2-CB 4.44Å; F135-Q178 HydrophobicContact CE2-CG 4.15Å |
| 136 | L | 95.7 | Very high | 93 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 89.9 | 165.6 | -64.9 | 171.3 | 0 | 0 | 0 | 108.4 | F11 L111 I113 H139 L143 F144 Q163 I165 V173 A174 L175 | F11-L136 HydrophobicContact CE1-CB 4.15Å; F11-L136 HydrophobicContact CZ-CB 4.38Å; L111-L136 HydrophobicContact CD2-CD1 4.25Å; L111-L136 HydrophobicContact CD2-CD2 4Å; I113-L136 HydrophobicContact CD1-CD1 4.48Å; I113-L136 HydrophobicContact CD1-CD2 4.14Å; L136-H139 WeakPolarHBondContact O-CB 3.17Å; L136-H139 PolarHBondContact O-N 2.92Å; L136-L143 HydrophobicContact CB-CD1 3.56Å; L136-L143 HydrophobicContact CD1-CD1 3.57Å; L136-L143 HydrophobicContact CG-CD1 3.74Å; L136-F144 HydrophobicContact CD1-CE2 4.43Å; L136-Q163 HydrophobicContact CD1-CB 3.7Å; L136-Q163 HydrophobicContact CD1-CG 3.63Å; L136-I165 HydrophobicContact CD1-CD1 3.78Å; L136-V173 HydrophobicContact CB-CG1 3.95Å; L136-V173 HydrophobicContact CD2-CG1 3.88Å; L136-V173 HydrophobicContact CG-CG1 4.47Å; L136-A174 CarbonylContact C-O 3.5Å; L136-A174 WeakPolarHBondContact CA-O 3.46Å; L136-L175 HydrophobicContact CD2-CB 4.3Å; L136-L175 HydrophobicContact CD2-CD1 4.04Å |
| 137 | L | 93.6 | Very high | 93.5 | Very high | 37 Ų | 37 | 56.1 Ų | 56.1 | 19% | 0.194 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 139.7 | -179.6 | -57.7 | 179.2 | 0 | 0 | 0 | 109.6 | F135 V173 A174 L176 | F135-L137 HydrophobicContact CB-CD2 4.08Å; L137-V173 WeakPolarHBondContact O-CA 3.32Å; L137-A174 HydrophobicContact CB-CB 4.43Å; L137-A174 PolarHBondContact N-O 3.49Å; L137-A174 PolarHBondContact O-N 2.82Å; L137-L176 HydrophobicContact CD1-CB 4.07Å; L137-L176 HydrophobicContact CD1-CD2 4.33Å; L137-L176 HydrophobicContact CD2-CD2 4.49Å; L137-L176 HydrophobicContact CG-CB 4.26Å |
| 138 | P | 90.3 | Very high | 93.9 | Very high | 74 Ų | 74 | 56.8 Ų | 56.8 | 48% | 0.481 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -87.4 | 9.4 | 15.9 | 36 | -37.9 | 0 | 0 | 0 | 115.5 | A7 Q140 | A7-P138 HydrophobicContact CB-CG 4.2Å; P138-Q140 PolarHBondContact O-N 2.98Å |
| 139 | H | 84.7 | Confident | 94.1 | Very high | 51 Ų | 51 | 56.5 Ų | 56.5 | 24% | 0.236 | 28% | 0.278 | C | S | . | . | trans | -58.8 | 125.9 | 178 | -162.1 | 65.4 | 0 | 0 | 0 | 110.8 | F11 L136 K141 | F11-H139 HydrophobicContact CD2-CB 4.26Å; F11-H139 HydrophobicContact CE2-CB 3.9Å; F11-H139 HydrophobicContact CZ-CB 4.37Å; L136-H139 WeakPolarHBondContact O-CB 3.17Å; L136-H139 PolarHBondContact O-N 2.92Å; H139-K141 VanDerWaalsContact C-N 3.34Å; H139-K141 PolarHBondContact CD2-O 3.48Å; H139-K141 VanDerWaalsContact CD2-O 3.26Å; H139-K141 PolarHBondContact O-N 3.29Å | ||
| 140 | Q | 80.1 | Confident | 94.1 | Very high | 186 Ų | 186 | 54.4 Ų | 54.4 | 87% | 0.869 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -77.5 | -19.2 | -170.2 | -65.4 | -177.3 | -6.6 | 0 | 0 | 113.7 | P138 | P138-Q140 PolarHBondContact O-N 2.98Š|
| 141 | K | 88.1 | Confident | 94 | Very high | 150 Ų | 150 | 54.4 Ų | 54.4 | 65% | 0.652 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -102.8 | 148.6 | -177.8 | -65.7 | -177.9 | -178.5 | 178.4 | 0 | 110.5 | H139 L143 | H139-K141 VanDerWaalsContact C-N 3.34Å; H139-K141 PolarHBondContact CD2-O 3.48Å; H139-K141 VanDerWaalsContact CD2-O 3.26Å; H139-K141 PolarHBondContact O-N 3.29Å; K141-L143 PolarHBondContact O-N 3.04Å |
| 142 | P | 90.2 | Very high | 93.6 | Very high | 62 Ų | 62 | 57.1 Ų | 57.1 | 40% | 0.403 | 30% | 0.295 | S | S | . | . | trans | -62.4 | 130 | 169.6 | 27.5 | -32.2 | 0 | 0 | 0 | 108.2 | L133 F135 | L133-P142 HydrophobicContact CB-CB 4.18Å; L133-P142 HydrophobicContact CD1-CB 4.42Å; L133-P142 HydrophobicContact CD1-CG 4.45Å; L133-P142 HydrophobicContact CD2-CB 4.47Å; F135-P142 HydrophobicContact CD1-CB 4.17Å; F135-P142 HydrophobicContact CD2-CB 4.46Å; F135-P142 HydrophobicContact CE1-CB 3.79Å; F135-P142 VanDerWaalsContact CE1-CD 3.5Å; F135-P142 HydrophobicContact CE1-CG 4.14Å; F135-P142 VanDerWaalsContact CE1-N 3.29Å; F135-P142 HydrophobicContact CE2-CB 4.07Å; F135-P142 HydrophobicContact CG-CB 4.49Å; F135-P142 HydrophobicContact CZ-CB 3.72Å; F135-P142 HydrophobicContact CZ-CG 4.18Å | ||
| 143 | L | 94.1 | Very high | 92.8 | Very high | 39 Ų | 39 | 61.9 Ų | 61.9 | 20% | 0.204 | 32% | 0.324 | C | S | . | . | trans | -85.8 | -34.3 | 177.4 | -73.3 | 172.6 | 0 | 0 | 0 | 111.1 | L134 L136 K141 Q163 | L134-L143 PolarHBondContact O-N 2.82Å; L136-L143 HydrophobicContact CB-CD1 3.56Å; L136-L143 HydrophobicContact CD1-CD1 3.57Å; L136-L143 HydrophobicContact CG-CD1 3.74Å; K141-L143 PolarHBondContact O-N 3.04Å; L143-Q163 HydrophobicContact CD1-CG 4.45Å | ||
| 144 | F | 97.4 | Very high | 92.2 | Very high | 33 Ų | 33 | 62.5 Ų | 62.5 | 15% | 0.145 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 151 | -177.7 | -48.5 | -65.5 | 0 | 0 | 0 | 111.5 | I113 L134 L136 F161 E162 Q163 | I113-F144 HydrophobicContact CD1-CD2 4.35Å; I113-F144 HydrophobicContact CD1-CE2 4.06Å; L134-F144 HydrophobicContact CB-CB 4.04Å; L134-F144 HydrophobicContact CB-CD2 4.19Å; L134-F144 HydrophobicContact CD1-CB 4.07Å; L134-F144 HydrophobicContact CD1-CD2 4.36Å; L134-F144 HydrophobicContact CG-CB 4.25Å; L134-F144 PolarHBondContact N-O 3.27Å; L134-F144 PolarHBondContact O-N 3.01Å; L136-F144 HydrophobicContact CD1-CE2 4.43Å; F144-F161 HydrophobicContact CB-CB 4.23Å; F144-F161 HydrophobicContact CB-CD1 3.53Å; F144-F161 HydrophobicContact CB-CD2 4.31Å; F144-F161 HydrophobicContact CB-CE1 3.91Å; F144-F161 HydrophobicContact CB-CG 3.74Å; F144-F161 HydrophobicContact CB-CZ 4.45Å; F144-F161 HydrophobicContact CD1-CB 3.75Å; F144-F161 AromaticContact CD1-CD1 3.67Å; F144-F161 HydrophobicContact CD1-CD1 3.67Å; F144-F161 AromaticContact CD1-CG 3.99Å; F144-F161 HydrophobicContact CD1-CG 3.99Å; F144-F161 HydrophobicContact CD2-CB 3.69Å; F144-F161 HydrophobicContact CD2-CG 4.13Å; F144-F161 HydrophobicContact CE1-CB 3.98Å; F144-F161 HydrophobicContact CE2-CB 3.92Å; F144-F161 HydrophobicContact CG-CB 3.6Å; F144-F161 AromaticContact CG-CD1 3.67Å; F144-F161 HydrophobicContact CG-CD1 3.67Å; F144-F161 AromaticContact CG-CG 3.67Å; F144-F161 HydrophobicContact CG-CG 3.67Å; F144-F161 HydrophobicContact CZ-CB 4.05Å; F144-E162 VanDerWaalsContact CZ-O 3.31Å; F144-E162 WeakPolarHBondContact CZ-O 3.27Å; F144-Q163 HydrophobicContact CE2-CB 4.23Å; F144-Q163 HydrophobicContact CZ-CB 3.9Å |
| 145 | K | 97.2 | Very high | 91.9 | Very high | 122 Ų | 122 | 62.6 Ų | 62.6 | 53% | 0.53 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 129.1 | 174.5 | 175.2 | 173.5 | -178.1 | -175.8 | 0 | 107.9 | F132 L133 | F132-K145 VanDerWaalsContact O-CA 3.31Å; F132-K145 WeakPolarHBondContact O-CA 3.12Å; L133-K145 HydrophobicContact CD2-CB 3.64Å; L133-K145 HydrophobicContact CD2-CD 3.81Å; L133-K145 HydrophobicContact CD2-CG 3.6Å |
| 146 | T | 98 | Very high | 91.7 | Very high | 6 Ų | 6 | 67.8 Ų | 67.8 | 4% | 0.037 | 35% | 0.352 | C | S | . | . | P | Polyproline II helix | trans | -74.4 | 163.7 | 172.6 | 68.7 | 0 | 0 | 0 | 0 | 110.7 | L115 W131 F132 I157 E159 F161 | L115-T146 HydrophobicContact CD2-CG2 3.76Å; W131-T146 WeakPolarHBondContact CA-OG1 3.37Å; F132-T146 HydrophobicContact CB-CG2 3.85Å; F132-T146 PolarHBondContact N-OG1 2.77Å; F132-T146 PolarHBondContact O-N 2.96Å; T146-I157 HydrophobicContact CG2-CG2 4.05Å; T146-E159 WeakPolarHBondContact CA-OE1 3.45Å; T146-E159 VanDerWaalsContact CB-OE1 3.27Å; T146-E159 WeakPolarHBondContact CB-OE1 3.34Å; T146-F161 HydrophobicContact CG2-CE2 4Å; T146-F161 HydrophobicContact CG2-CZ 3.83Å |
| 147 | K | 96.7 | Very high | 91.7 | Very high | 147 Ų | 147 | 68.4 Ų | 68.4 | 64% | 0.639 | 36% | 0.355 | S | S | * | . | P | Polyproline II helix | trans | -65.5 | 147.9 | 165.7 | -60.5 | 174.2 | -171.1 | 169.5 | 0 | 109.4 | E159 | K147-E159 WeakPolarHBondContact CB-OE1 3.42Å; K147-E159 PolarHBondContact N-OE1 3.48Å |
| 148 | P | 96.1 | Very high | 91.8 | Very high | 65 Ų | 65 | 73.1 Ų | 73.1 | 42% | 0.422 | 38% | 0.376 | S | S | . | . | P | Polyproline II helix | trans | -60.5 | 134.8 | 167.4 | -20.5 | 33.1 | 0 | 0 | 0 | 110.4 | E129 I130 | E129-P148 HydrophobicContact CB-CB 4.35Å; I130-P148 CarbonylContact O-C 3.56Å; I130-P148 WeakPolarHBondContact O-CA 3.5Å |
| 149 | I | 96.6 | Very high | 92.1 | Very high | 47 Ų | 47 | 71 Ų | 71 | 24% | 0.241 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 138.3 | -179.3 | -90.5 | 165 | 0 | 0 | 0 | 109.1 | E129 I130 C151 T155 | E129-I149 CarbonylContact C-O 3.42Å; E129-I149 WeakPolarHBondContact CA-O 3.38Å; I130-I149 WeakPolarHBondContact CG1-O 3.34Å; I130-I149 PolarHBondContact N-O 3.07Å; I130-I149 PolarHBondContact O-N 2.65Å; I149-C151 PolarHBondContact O-N 2.7Å; I149-T155 HydrophobicContact CG2-CG2 3.23Å |
| 150 | A | 94.9 | Very high | 92.7 | Very high | 51 Ų | 51 | 72.9 Ų | 72.9 | 42% | 0.421 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 128 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 151 | C | 92.3 | Very high | 93.5 | Very high | 3 Ų | 3 | 65.1 Ų | 65.1 | 2% | 0.02 | 33% | 0.333 | C | S | . | . | trans | -70.8 | 130.7 | 179.4 | -171.6 | 0 | 0 | 0 | 0 | 110.9 | I124 P126 G127 N128 I130 I149 | I124-C151 HydrophobicContact CB-CB 4.49Å; I124-C151 HydrophobicContact CG2-CB 3.61Å; P126-C151 WeakPolarHBondContact CA-O 3.31Å; G127-C151 PolarHBondContact N-O 3.13Å; N128-C151 VanDerWaalsContact O-CB 3.28Å; N128-C151 WeakPolarHBondContact O-CB 3.2Å; N128-C151 PolarHBondContact O-N 2.7Å; I130-C151 HydrophobicContact CD1-CB 4.48Å; I130-C151 HydrophobicContact CG1-CB 4.44Å; I130-C151 HydrophobicContact CG2-CB 3.99Å; I149-C151 PolarHBondContact O-N 2.7Å | ||
| 152 | T | 88.9 | Confident | 93.9 | Very high | 72 Ų | 72 | 62.6 Ų | 62.6 | 44% | 0.442 | 32% | 0.323 | S | S | . | . | trans | -129.2 | 173.9 | 171.7 | 68.4 | 0 | 0 | 0 | 0 | 108.9 | T154 T155 | T152-T154 PolarHBondContact O-N 3.43Å; T152-T154 PolarHBondContact OG1-N 2.99Å; T152-T154 PolarHBondContact OG1-O 3.21Å; T152-T155 PolarHBondContact N-OG1 2.88Å; T152-T155 PolarHBondContact O-OG1 3.04Å; T152-T155 WeakPolarHBondContact OG1-CA 3.1Å; T152-T155 PolarHBondContact OG1-N 3.21Å | ||
| 153 | V | 81.5 | Confident | 94.2 | Very high | 102 Ų | 102 | 59.9 Ų | 59.9 | 62% | 0.618 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | -38.9 | 175.5 | -178.5 | 0 | 0 | 0 | 0 | 111.6 | D120 | D120-V153 PolarHBondContact N-O 3.27Š|
| 154 | T | 85.2 | Confident | 94.2 | Very high | 42 Ų | 42 | 59.7 Ų | 59.7 | 26% | 0.258 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 92.9 | 173.5 | -65.5 | 0 | 0 | 0 | 0 | 108.8 | L118 H119 T152 K156 | L118-T154 CarbonylContact O-C 3.59Å; H119-T154 WeakPolarHBondContact CE1-CG2 3.19Å; H119-T154 PolarHBondContact CE1-OG1 2.65Å; H119-T154 VanDerWaalsContact CE1-OG1 3.24Å; H119-T154 PolarHBondContact ND1-OG1 2.77Å; T152-T154 PolarHBondContact O-N 3.43Å; T152-T154 PolarHBondContact OG1-N 2.99Å; T152-T154 PolarHBondContact OG1-O 3.21Å; T154-K156 PolarHBondContact O-N 3.45Å |
| 155 | T | 91.6 | Very high | 94 | Very high | 1 Ų | 1 | 58.2 Ų | 58.2 | 1% | 0.006 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 112.4 | -176.8 | -54.9 | 0 | 0 | 0 | 0 | 109.7 | Q117 L118 I130 I149 T152 | Q117-T155 CarbonylContact C-O 3.46Å; Q117-T155 WeakPolarHBondContact CA-O 3.44Å; Q117-T155 WeakPolarHBondContact CB-O 3.38Å; L118-T155 PolarHBondContact N-O 2.86Å; L118-T155 PolarHBondContact O-N 3.32Å; I130-T155 HydrophobicContact CD1-CG2 4.05Å; I149-T155 HydrophobicContact CG2-CG2 3.23Å; T152-T155 PolarHBondContact N-OG1 2.88Å; T152-T155 PolarHBondContact O-OG1 3.04Å; T152-T155 WeakPolarHBondContact OG1-CA 3.1Å; T152-T155 PolarHBondContact OG1-N 3.21Å |
| 156 | K | 92.6 | Very high | 93.8 | Very high | 134 Ų | 134 | 57.7 Ų | 57.7 | 58% | 0.583 | 30% | 0.298 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 123.2 | 176.3 | -65.5 | -171.1 | 174.8 | -166.4 | 0 | 110.5 | T154 | T154-K156 PolarHBondContact O-N 3.45Å |
| 157 | I | 96 | Very high | 93.5 | Very high | 12 Ų | 12 | 60.6 Ų | 60.6 | 6% | 0.062 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | -52.8 | -178.2 | -56 | 168.2 | 0 | 0 | 0 | 109.4 | V98 L115 L116 L118 F132 T146 E159 | V98-I157 HydrophobicContact CG2-CD1 4.38Å; L115-I157 HydrophobicContact CB-CB 4.45Å; L115-I157 HydrophobicContact CB-CG2 3.98Å; L116-I157 PolarHBondContact O-N 2.88Å; L118-I157 HydrophobicContact CB-CD1 4.28Å; F132-I157 HydrophobicContact CD2-CD1 3.82Å; F132-I157 HydrophobicContact CE2-CD1 3.51Å; F132-I157 HydrophobicContact CZ-CD1 4.32Å; T146-I157 HydrophobicContact CG2-CG2 4.05Å; I157-E159 VanDerWaalsContact C-N 3.33Å; I157-E159 HydrophobicContact CG2-CB 4.29Å; I157-E159 HydrophobicContact CG2-CG 4.27Å; I157-E159 PolarHBondContact O-N 2.84Å |
| 158 | E | 94.9 | Very high | 93.2 | Very high | 136 Ų | 136 | 60.9 Ų | 60.9 | 64% | 0.636 | 31% | 0.312 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 47.8 | 46.7 | 175.7 | -60 | -179.9 | 176.7 | 0 | 0 | 114.3 | L115 L116 | L115-E158 CarbonylContact O-C 3.54Å; L115-E158 VanDerWaalsContact O-CA 3.26Å; L115-E158 WeakPolarHBondContact O-CA 3.43Å; L115-E158 PolarHBondContact O-N 3.17Å; L116-E158 PolarHBondContact O-N 2.94Å |
| 159 | E | 98.1 | Very high | 93 | Very high | 30 Ų | 30 | 58.6 Ų | 58.6 | 14% | 0.14 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 142.5 | 177.2 | -71 | -168.4 | -123.2 | 0 | 0 | 112.3 | Y114 L115 T146 K147 I157 F161 | Y114-E159 CarbonylContact C-O 3.57Å; Y114-E159 WeakPolarHBondContact CA-O 3.11Å; L115-E159 PolarHBondContact N-O 3.19Å; L115-E159 PolarHBondContact O-N 3.4Å; T146-E159 WeakPolarHBondContact CA-OE1 3.45Å; T146-E159 VanDerWaalsContact CB-OE1 3.27Å; T146-E159 WeakPolarHBondContact CB-OE1 3.34Å; K147-E159 WeakPolarHBondContact CB-OE1 3.42Å; K147-E159 PolarHBondContact N-OE1 3.48Å; I157-E159 VanDerWaalsContact C-N 3.33Å; I157-E159 HydrophobicContact CG2-CB 4.29Å; I157-E159 HydrophobicContact CG2-CG 4.27Å; I157-E159 PolarHBondContact O-N 2.84Å; E159-F161 HydrophobicContact CB-CE2 3.86Å; E159-F161 HydrophobicContact CB-CZ 3.82Å |
| 160 | E | 96 | Very high | 92.6 | Very high | 90 Ų | 90 | 57.3 Ų | 57.3 | 42% | 0.421 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 137.3 | 179.3 | -179.4 | 177.5 | -171.3 | 0 | 0 | 111.4 | I113 Y114 | I113-E160 CarbonylContact O-C 3.59Å; I113-E160 WeakPolarHBondContact O-CA 3.16Å; Y114-E160 HydrophobicContact CD1-CB 3.69Å; Y114-E160 HydrophobicContact CD1-CG 3.81Å; Y114-E160 HydrophobicContact CD2-CG 4.49Å; Y114-E160 HydrophobicContact CE1-CB 3.66Å; Y114-E160 HydrophobicContact CE1-CG 3.46Å; Y114-E160 VanDerWaalsContact CE1-CG 3.46Å; Y114-E160 WeakPolarHBondContact CE1-OE2 3.36Å; Y114-E160 HydrophobicContact CE2-CG 4.19Å; Y114-E160 HydrophobicContact CG-CB 4.44Å; Y114-E160 HydrophobicContact CG-CG 4.32Å; Y114-E160 PolarHBondContact OH-OE1 3.47Å; Y114-E160 PolarHBondContact OH-OE2 2.9Å |
| 161 | F | 97.6 | Very high | 92.3 | Very high | 24 Ų | 24 | 63.2 Ų | 63.2 | 11% | 0.105 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 140.7 | 177.2 | -53.3 | -76.9 | 0 | 0 | 0 | 110.8 | S112 I113 L134 F144 T146 E159 | S112-F161 CarbonylContact C-O 3.56Å; S112-F161 WeakPolarHBondContact CA-O 3.5Å; I113-F161 HydrophobicContact CB-CB 4.47Å; I113-F161 PolarHBondContact N-O 2.9Å; I113-F161 PolarHBondContact O-N 3.19Å; L134-F161 HydrophobicContact CD1-CD2 3.51Å; L134-F161 HydrophobicContact CD1-CE2 3.77Å; L134-F161 HydrophobicContact CD1-CG 4.25Å; F144-F161 HydrophobicContact CB-CB 4.23Å; F144-F161 HydrophobicContact CB-CD1 3.53Å; F144-F161 HydrophobicContact CB-CD2 4.31Å; F144-F161 HydrophobicContact CB-CE1 3.91Å; F144-F161 HydrophobicContact CB-CG 3.74Å; F144-F161 HydrophobicContact CB-CZ 4.45Å; F144-F161 HydrophobicContact CD1-CB 3.75Å; F144-F161 AromaticContact CD1-CD1 3.67Å; F144-F161 HydrophobicContact CD1-CD1 3.67Å; F144-F161 AromaticContact CD1-CG 3.99Å; F144-F161 HydrophobicContact CD1-CG 3.99Å; F144-F161 HydrophobicContact CD2-CB 3.69Å; F144-F161 HydrophobicContact CD2-CG 4.13Å; F144-F161 HydrophobicContact CE1-CB 3.98Å; F144-F161 HydrophobicContact CE2-CB 3.92Å; F144-F161 HydrophobicContact CG-CB 3.6Å; F144-F161 AromaticContact CG-CD1 3.67Å; F144-F161 HydrophobicContact CG-CD1 3.67Å; F144-F161 AromaticContact CG-CG 3.67Å; F144-F161 HydrophobicContact CG-CG 3.67Å; F144-F161 HydrophobicContact CZ-CB 4.05Å; T146-F161 HydrophobicContact CG2-CE2 4Å; T146-F161 HydrophobicContact CG2-CZ 3.83Å; E159-F161 HydrophobicContact CB-CE2 3.86Å; E159-F161 HydrophobicContact CB-CZ 3.82Å |
| 162 | E | 96.3 | Very high | 92.3 | Very high | 97 Ų | 97 | 71.4 Ų | 71.4 | 45% | 0.453 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 134.4 | -179 | -63.8 | -162.9 | 130.3 | 0 | 0 | 111.5 | M110 L111 S112 F144 | M110-E162 HydrophobicContact CG-CB 4.08Å; M110-E162 HydrophobicContact CG-CG 4.38Å; M110-E162 HydrophobicContact SD-CB 3.8Å; L111-E162 WeakPolarHBondContact O-CA 3.41Å; S112-E162 PolarHBondContact OG-OE1 3.02Å; F144-E162 VanDerWaalsContact CZ-O 3.31Å; F144-E162 WeakPolarHBondContact CZ-O 3.27Å |
| 163 | Q | 96.1 | Very high | 92.5 | Very high | 5 Ų | 5 | 68.2 Ų | 68.2 | 2% | 0.023 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 128.9 | 173.9 | -174.9 | 51 | 63.5 | 0 | 0 | 110.8 | F11 K12 M110 L111 L136 L143 F144 I165 | F11-Q163 HydrophobicContact CD1-CG 4.15Å; K12-Q163 PolarHBondContact O-NE2 3.16Å; M110-Q163 VanDerWaalsContact SD-C 3.52Å; L111-Q163 PolarHBondContact N-O 3.46Å; L111-Q163 PolarHBondContact O-N 3.4Å; L136-Q163 HydrophobicContact CD1-CB 3.7Å; L136-Q163 HydrophobicContact CD1-CG 3.63Å; L143-Q163 HydrophobicContact CD1-CG 4.45Å; F144-Q163 HydrophobicContact CE2-CB 4.23Å; F144-Q163 HydrophobicContact CZ-CB 3.9Å; Q163-I165 HydrophobicContact CB-CD1 4.49Å; Q163-I165 HydrophobicContact CB-CG1 4.3Å; Q163-I165 HydrophobicContact CG-CD1 4.2Å; Q163-I165 HydrophobicContact CG-CG1 3.79Å; Q163-I165 PolarHBondContact O-N 2.86Å |
| 164 | C | 94.9 | Very high | 93 | Very high | 35 Ų | 35 | 63.4 Ų | 63.4 | 24% | 0.236 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 118 | 168.2 | -66 | 0 | 0 | 0 | 0 | 109.8 | N109 | N109-C164 CarbonylContact O-C 3.54Å; N109-C164 VanDerWaalsContact O-CA 3.31Å; N109-C164 WeakPolarHBondContact O-CA 3.27Å |
| 165 | I | 93.2 | Very high | 93.5 | Very high | 2 Ų | 2 | 61.4 Ų | 61.4 | 1% | 0.01 | 27% | 0.271 | C | S | . | . | trans | -141.8 | 127.8 | 175.7 | -51.1 | 178.8 | 0 | 0 | 0 | 107.6 | F11 Y104 N109 L111 L136 Q163 D169 L170 V173 | F11-I165 HydrophobicContact CD1-CG1 4.41Å; F11-I165 HydrophobicContact CE1-CD1 4.23Å; F11-I165 HydrophobicContact CE1-CG1 4.24Å; Y104-I165 WeakPolarHBondContact CE2-O 3.26Å; Y104-I165 PolarHBondContact OH-O 2.81Å; N109-I165 CarbonylContact C-O 3.59Å; N109-I165 PolarHBondContact O-N 3.11Å; N109-I165 VanDerWaalsContact O-O 3.05Å; L111-I165 HydrophobicContact CB-CD1 4.09Å; L111-I165 HydrophobicContact CB-CG1 4.49Å; L111-I165 HydrophobicContact CD2-CD1 3.61Å; L136-I165 HydrophobicContact CD1-CD1 3.78Å; Q163-I165 HydrophobicContact CB-CD1 4.49Å; Q163-I165 HydrophobicContact CB-CG1 4.3Å; Q163-I165 HydrophobicContact CG-CD1 4.2Å; Q163-I165 HydrophobicContact CG-CG1 3.79Å; Q163-I165 PolarHBondContact O-N 2.86Å; I165-D169 HydrophobicContact CG2-CB 4.08Å; I165-L170 HydrophobicContact CB-CD2 4.31Å; I165-L170 HydrophobicContact CG2-CD2 4.06Å; I165-L170 HydrophobicContact CG2-CG 4.49Å; I165-V173 HydrophobicContact CD1-CG1 4.37Å; I165-V173 HydrophobicContact CG2-CG2 4.38Å | ||
| 166 | F | 93.1 | Very high | 93.7 | Very high | 110 Ų | 110 | 62.4 Ų | 62.4 | 48% | 0.482 | 28% | 0.276 | S | S | . | . | trans | -67.7 | 146.9 | 175.5 | -66.9 | -73.5 | 0 | 0 | 0 | 111.8 | N109 K168 D169 L170 | N109-F166 HydrophobicContact CB-CD1 4.33Å; F166-K168 HydrophobicContact CB-CG 4.01Å; F166-K168 PolarHBondContact O-N 3.2Å; F166-K168 VanDerWaalsContact O-N 3.11Å; F166-D169 PolarHBondContact O-N 3.22Å; F166-L170 PolarHBondContact O-N 3.37Å | ||
| 167 | E | 90.9 | Very high | 93.8 | Very high | 67 Ų | 67 | 56 Ų | 56 | 31% | 0.313 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | -35.5 | -176.6 | -171.4 | -177.8 | 157.4 | 0 | 0 | 112.5 | Y104 R106 D169 L170 | Y104-E167 HydrophobicContact CE1-CB 4.11Å; Y104-E167 HydrophobicContact CE1-CG 4.18Å; Y104-E167 WeakPolarHBondContact OH-CA 3.12Å; Y104-E167 PolarHBondContact OH-N 2.7Å; R106-E167 IonicContact CZ-OE1 3.64Å; R106-E167 IonicContact CZ-OE2 2.74Å; R106-E167 IonicContact NE-OE1 3.92Å; R106-E167 IonicContact NE-OE2 2.92Å; R106-E167 IonicContact NH1-OE1 2.64Å; R106-E167 PolarHBondContact NH1-OE1 3.16Å; R106-E167 IonicContact NH1-OE2 2.65Å; R106-E167 PolarHBondContact NH1-OE2 3.31Å; R106-E167 IonicContact NH2-OE1 3.93Å; R106-E167 PolarHBondContact NH2-OE1 2.91Å; E167-D169 PolarHBondContact O-N 3.26Å; E167-L170 HydrophobicContact CG-CD1 4.29Å; E167-L170 PolarHBondContact O-N 3.12Å |
| 168 | K | 90.1 | Very high | 93.9 | Very high | 153 Ų | 153 | 56.5 Ų | 56.5 | 67% | 0.665 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -30.6 | 176.3 | 64.7 | 177.9 | -177.2 | 175 | 0 | 113.2 | F166 | F166-K168 HydrophobicContact CB-CG 4.01Å; F166-K168 PolarHBondContact O-N 3.2Å; F166-K168 VanDerWaalsContact O-N 3.11Å |
| 169 | D | 92.1 | Very high | 93.9 | Very high | 18 Ų | 18 | 50 Ų | 50 | 10% | 0.096 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -20 | -174.2 | -65.5 | -48.9 | 0 | 0 | 0 | 112.4 | V10 I165 F166 E167 R171 R172 V173 | V10-D169 HydrophobicContact CG1-CB 3.77Å; I165-D169 HydrophobicContact CG2-CB 4.08Å; F166-D169 PolarHBondContact O-N 3.22Å; E167-D169 PolarHBondContact O-N 3.26Å; D169-R171 PolarHBondContact O-N 3.25Å; D169-R172 WeakPolarHBondContact O-CB 3.49Å; D169-R172 PolarHBondContact O-N 3.49Å; D169-R172 IonicContact OD1-NH1 2.71Å; D169-V173 WeakPolarHBondContact O-CG2 3.18Å; D169-V173 PolarHBondContact O-N 3.35Å |
| 170 | L | 89.6 | Confident | 93.8 | Very high | 19 Ų | 19 | 50.5 Ų | 50.5 | 10% | 0.099 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -48.9 | -37.4 | 176.8 | -72.1 | 175.9 | 0 | 0 | 0 | 112.7 | Y104 I165 F166 E167 R172 V173 L201 | Y104-L170 HydrophobicContact CD1-CD1 3.77Å; Y104-L170 HydrophobicContact CD2-CD1 3.83Å; Y104-L170 HydrophobicContact CD2-CD2 3.89Å; Y104-L170 HydrophobicContact CD2-CG 4.37Å; Y104-L170 HydrophobicContact CE1-CD1 3.71Å; Y104-L170 HydrophobicContact CE2-CD1 3.78Å; Y104-L170 HydrophobicContact CE2-CD2 3.89Å; Y104-L170 HydrophobicContact CE2-CG 4.11Å; Y104-L170 HydrophobicContact CG-CD1 3.82Å; I165-L170 HydrophobicContact CB-CD2 4.31Å; I165-L170 HydrophobicContact CG2-CD2 4.06Å; I165-L170 HydrophobicContact CG2-CG 4.49Å; F166-L170 PolarHBondContact O-N 3.37Å; E167-L170 HydrophobicContact CG-CD1 4.29Å; E167-L170 PolarHBondContact O-N 3.12Å; L170-R172 PolarHBondContact O-N 2.83Å; L170-V173 PolarHBondContact O-N 2.89Å; L170-L201 HydrophobicContact CD2-CD1 3.95Å; L170-L201 WeakPolarHBondContact O-CB 3.41Å |
| 171 | R | 88.2 | Confident | 93.7 | Very high | 176 Ų | 176 | 46.3 Ų | 46.3 | 66% | 0.664 | 20% | 0.202 | S | C | * | . | G | 310 helix | trans | -67.4 | -19.4 | -177.2 | -48.3 | -174.8 | -158.4 | -135.1 | 3.2 | 113.6 | D169 R202 | D169-R171 PolarHBondContact O-N 3.25Å; R171-R202 HydrophobicContact CB-CB 4.28Å |
| 172 | R | 91.6 | Very high | 93.4 | Very high | 175 Ų | 175 | 48.9 Ų | 48.9 | 66% | 0.66 | 21% | 0.214 | S | C | * | . | G | 310 helix | trans | -98.1 | -9.7 | -178.4 | -58.6 | 174 | 67.4 | -163.3 | 3.5 | 112.1 | D169 L170 | D169-R172 WeakPolarHBondContact O-CB 3.49Å; D169-R172 PolarHBondContact O-N 3.49Å; D169-R172 IonicContact OD1-NH1 2.71Å; L170-R172 PolarHBondContact O-N 2.83Å |
| 173 | V | 92.9 | Very high | 92.7 | Very high | 4 Ų | 4 | 46 Ų | 46 | 2% | 0.024 | 20% | 0.204 | C | C | . | . | trans | -96.2 | 143.5 | -173.7 | 176.9 | 0 | 0 | 0 | 0 | 111.2 | F11 L136 L137 I165 D169 L170 L201 | F11-V173 HydrophobicContact CZ-CG2 4.27Å; L136-V173 HydrophobicContact CB-CG1 3.95Å; L136-V173 HydrophobicContact CD2-CG1 3.88Å; L136-V173 HydrophobicContact CG-CG1 4.47Å; L137-V173 WeakPolarHBondContact O-CA 3.32Å; I165-V173 HydrophobicContact CD1-CG1 4.37Å; I165-V173 HydrophobicContact CG2-CG2 4.38Å; D169-V173 WeakPolarHBondContact O-CG2 3.18Å; D169-V173 PolarHBondContact O-N 3.35Å; L170-V173 PolarHBondContact O-N 2.89Å; V173-L201 HydrophobicContact CB-CD1 3.92Å; V173-L201 HydrophobicContact CB-CG 4.38Å; V173-L201 HydrophobicContact CG1-CD1 3.65Å; V173-L201 HydrophobicContact CG1-CG 4.2Å; V173-L201 PolarHBondContact O-N 2.99Å | ||
| 174 | A | 93.1 | Very high | 91.6 | Very high | 2 Ų | 2 | 49.9 Ų | 49.9 | 2% | 0.017 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 138.6 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | L136 L137 R198 I199 R200 | L136-A174 CarbonylContact C-O 3.5Å; L136-A174 WeakPolarHBondContact CA-O 3.46Å; L137-A174 HydrophobicContact CB-CB 4.43Å; L137-A174 PolarHBondContact N-O 3.49Å; L137-A174 PolarHBondContact O-N 2.82Å; A174-R198 HydrophobicContact CB-CG 4.23Å; A174-I199 CarbonylContact C-O 3.49Å; A174-I199 VanDerWaalsContact CA-O 3.31Å; A174-I199 WeakPolarHBondContact CA-O 3.36Å; A174-I199 WeakPolarHBondContact CB-O 3.08Å; A174-R200 HydrophobicContact CB-CB 4.43Å; A174-R200 HydrophobicContact CB-CG 4.11Å |
| 175 | L | 95 | Very high | 90.7 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 126.1 | 168.6 | 176.7 | 62.4 | 0 | 0 | 0 | 108.6 | V100 L102 I113 L134 F135 L136 R198 I199 L201 | V100-L175 HydrophobicContact CG1-CD2 4.08Å; L102-L175 HydrophobicContact CD1-CD2 4.49Å; L102-L175 HydrophobicContact CD2-CD2 3.9Å; I113-L175 HydrophobicContact CD1-CD1 4.1Å; I113-L175 HydrophobicContact CG2-CD2 3.97Å; L134-L175 HydrophobicContact CB-CD1 4.19Å; F135-L175 WeakPolarHBondContact O-CA 3.45Å; L136-L175 HydrophobicContact CD2-CB 4.3Å; L136-L175 HydrophobicContact CD2-CD1 4.04Å; L175-R198 CarbonylContact O-C 3.51Å; L175-R198 VanDerWaalsContact O-CA 3.32Å; L175-R198 WeakPolarHBondContact O-CA 3.35Å; L175-I199 HydrophobicContact CB-CG2 4.02Å; L175-I199 PolarHBondContact N-O 2.93Å; L175-I199 PolarHBondContact O-N 2.92Å; L175-L201 HydrophobicContact CB-CD2 4.42Å |
| 176 | L | 95.3 | Very high | 89.4 | Confident | 22 Ų | 22 | 60.1 Ų | 60.1 | 12% | 0.115 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 120.4 | 168.8 | 168.3 | 71 | 0 | 0 | 0 | 107.9 | L134 F135 L137 Q178 Q196 S197 R198 | L134-L176 WeakPolarHBondContact CA-O 3.33Å; F135-L176 HydrophobicContact CB-CB 4.18Å; F135-L176 HydrophobicContact CB-CD2 4.41Å; F135-L176 HydrophobicContact CD2-CD2 4.09Å; F135-L176 HydrophobicContact CD2-CG 4.31Å; F135-L176 HydrophobicContact CG-CD2 4.32Å; F135-L176 PolarHBondContact N-O 2.91Å; F135-L176 PolarHBondContact O-N 3.43Å; L137-L176 HydrophobicContact CD1-CB 4.07Å; L137-L176 HydrophobicContact CD1-CD2 4.33Å; L137-L176 HydrophobicContact CD2-CD2 4.49Å; L137-L176 HydrophobicContact CG-CB 4.26Å; L176-Q178 HydrophobicContact CD1-CG 4.33Å; L176-Q178 HydrophobicContact CD2-CG 4.29Å; L176-Q178 HydrophobicContact CG-CG 4.1Å; L176-Q196 HydrophobicContact CD1-CB 4.25Å; L176-S197 WeakPolarHBondContact CA-O 3.19Å; L176-R198 HydrophobicContact CD1-CB 4.17Å |
| 177 | C | 96 | Very high | 87.9 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 124.2 | 173.7 | -59.5 | 0 | 0 | 0 | 0 | 108.5 | F132 L134 Q196 S197 | F132-C177 HydrophobicContact CD1-CB 4.45Å; L134-C177 HydrophobicContact CD2-CB 4.04Å; L134-C177 VanDerWaalsContact CD2-SG 3.6Å; C177-Q196 CarbonylContact O-C 3.57Å; C177-Q196 WeakPolarHBondContact O-CA 3.38Å; C177-Q196 WeakPolarHBondContact O-CB 3.37Å; C177-S197 PolarHBondContact N-O 2.76Å; C177-S197 PolarHBondContact O-N 3.43Å |
| 178 | Q | 96.7 | Very high | 86.5 | Confident | 21 Ų | 21 | 66 Ų | 66 | 10% | 0.098 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 126.9 | 175.7 | -71.8 | -171.3 | -26.3 | 0 | 0 | 109.8 | F132 L133 F135 L176 Y180 L193 Q196 | F132-Q178 CarbonylContact C-O 3.56Å; F132-Q178 WeakPolarHBondContact CA-O 3.07Å; L133-Q178 HydrophobicContact CB-CB 4.48Å; L133-Q178 PolarHBondContact N-O 2.77Å; L133-Q178 PolarHBondContact O-N 3.26Å; F135-Q178 HydrophobicContact CE2-CB 4.44Å; F135-Q178 HydrophobicContact CE2-CG 4.15Å; L176-Q178 HydrophobicContact CD1-CG 4.33Å; L176-Q178 HydrophobicContact CD2-CG 4.29Å; L176-Q178 HydrophobicContact CG-CG 4.1Å; Q178-Y180 HydrophobicContact CB-CD2 4.24Å; Q178-Y180 HydrophobicContact CB-CE2 3.66Å; Q178-Y180 PolarHBondContact OE1-OH 2.64Å; Q178-L193 HydrophobicContact CB-CD1 3.64Å; Q178-L193 HydrophobicContact CG-CD1 3.97Å; Q178-Q196 HydrophobicContact CB-CB 4.48Å; Q178-Q196 HydrophobicContact CG-CB 3.8Å |
| 179 | M | 96.1 | Very high | 85.5 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 127 | 177 | -174.9 | 176.5 | 64.3 | 0 | 0 | 110.2 | C95 L118 I124 I130 F132 V194 G195 L216 | C95-M179 HydrophobicContact CB-CE 4.28Å; C95-M179 VanDerWaalsContact O-CE 3.3Å; C95-M179 WeakPolarHBondContact O-CE 3.39Å; L118-M179 HydrophobicContact CD1-SD 4.25Å; L118-M179 HydrophobicContact CD2-SD 3.42Å; L118-M179 WeakPolarHBondContact CD2-SD 3.41Å; L118-M179 HydrophobicContact CG-SD 4.48Å; I124-M179 HydrophobicContact CD1-CE 3.32Å; I124-M179 HydrophobicContact CD1-CG 4.46Å; I124-M179 HydrophobicContact CD1-SD 3.62Å; I130-M179 HydrophobicContact CD1-SD 4.28Å; F132-M179 HydrophobicContact CD1-CB 4.09Å; F132-M179 HydrophobicContact CE1-CB 3.6Å; F132-M179 HydrophobicContact CE1-CG 4.07Å; F132-M179 HydrophobicContact CE2-CG 4.12Å; F132-M179 HydrophobicContact CE2-SD 4.4Å; F132-M179 HydrophobicContact CZ-CB 3.83Å; F132-M179 HydrophobicContact CZ-CG 3.76Å; F132-M179 HydrophobicContact CZ-SD 3.85Å; M179-V194 HydrophobicContact CE-CB 3.76Å; M179-V194 HydrophobicContact CE-CG1 3.59Å; M179-V194 PolarHBondContact O-N 3.4Å; M179-G195 PolarHBondContact N-O 2.93Å; M179-L216 HydrophobicContact CB-CD1 4.14Å; M179-L216 HydrophobicContact CE-CD1 3.96Å; M179-L216 HydrophobicContact SD-CD1 3.91Å |
| 180 | Y | 95.6 | Very high | 85.2 | Confident | 41 Ų | 41 | 64.8 Ų | 64.8 | 16% | 0.161 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 152.7 | 177.7 | -74.9 | -98 | 0 | 0 | 0 | 110.8 | I130 W131 L133 Q178 A191 Q192 L193 | I130-Y180 CarbonylContact C-O 3.56Å; I130-Y180 WeakPolarHBondContact CA-O 3.14Å; W131-Y180 VanDerWaalsContact CE2-CB 3.42Å; W131-Y180 PolarHBondContact N-O 3.04Å; W131-Y180 AromaticContact NE1-CG 3.94Å; W131-Y180 PolarHBondContact O-N 3.43Å; L133-Y180 HydrophobicContact CB-CD2 4.48Å; L133-Y180 HydrophobicContact CB-CE2 4.19Å; L133-Y180 HydrophobicContact CD1-CD2 4.1Å; L133-Y180 HydrophobicContact CD1-CE2 3.6Å; L133-Y180 HydrophobicContact CG-CD2 3.97Å; L133-Y180 HydrophobicContact CG-CE2 3.86Å; Q178-Y180 HydrophobicContact CB-CD2 4.24Å; Q178-Y180 HydrophobicContact CB-CE2 3.66Å; Q178-Y180 PolarHBondContact OE1-OH 2.64Å; Y180-A191 HydrophobicContact CD1-CB 4.09Å; Y180-Q192 VanDerWaalsContact CA-O 3.24Å; Y180-Q192 WeakPolarHBondContact CA-O 3.28Å; Y180-Q192 VanDerWaalsContact CD1-C 3.49Å; Y180-Q192 WeakPolarHBondContact CD1-O 3.46Å; Y180-L193 HydrophobicContact CD1-CB 4.2Å; Y180-L193 HydrophobicContact CD2-CD1 4.16Å; Y180-L193 HydrophobicContact CE1-CB 3.69Å; Y180-L193 HydrophobicContact CE1-CD1 4.29Å; Y180-L193 HydrophobicContact CE2-CD1 3.69Å |
| 181 | T | 93.8 | Very high | 85.2 | Confident | 2 Ų | 2 | 66.7 Ų | 66.7 | 1% | 0.012 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 163.8 | 169 | -177.6 | 0 | 0 | 0 | 0 | 108.6 | E129 Q192 V194 | E129-T181 WeakPolarHBondContact O-CA 3.46Å; E129-T181 PolarHBondContact O-OG1 2.74Å; T181-Q192 HydrophobicContact CG2-CB 4.47Å; T181-Q192 PolarHBondContact N-O 3.27Å; T181-Q192 PolarHBondContact O-N 2.85Å; T181-V194 HydrophobicContact CG2-CG2 3.31Å |
| 182 | H | 90.7 | Very high | 85.4 | Confident | 78 Ų | 78 | 62.6 Ų | 62.6 | 36% | 0.361 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 142.8 | 162.4 | -69.9 | -72.5 | 0 | 0 | 0 | 110.3 | E129 W131 L184 | E129-H182 IonicContact OE2-NE2 3.81Å; W131-H182 AromaticContact CH2-CE1 3.9Å; W131-H182 AromaticContact CH2-NE2 3.91Å; W131-H182 AromaticContact CZ3-CD2 3.63Å; W131-H182 AromaticContact CZ3-NE2 3.55Å; H182-L184 PolarHBondContact O-N 2.83Å |
| 183 | C | 82.4 | Confident | 85.5 | Confident | 36 Ų | 36 | 56.2 Ų | 56.2 | 24% | 0.243 | 32% | 0.32 | C | S | . | . | trans | -49.7 | 123.6 | 175.9 | -163.3 | 0 | 0 | 0 | 0 | 109.8 | S185 K188 A190 | C183-S185 VanDerWaalsContact C-N 3.29Å; C183-S185 PolarHBondContact SG-OG 2.76Å; C183-K188 WeakPolarHBondContact CB-O 3.42Å; C183-A190 WeakPolarHBondContact CB-O 3.22Å; C183-A190 PolarHBondContact N-O 2.92Å | ||
| 184 | L | 73.1 | Confident | 85.5 | Confident | 86 Ų | 86 | 56.8 Ų | 56.8 | 45% | 0.45 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -77.8 | -17 | -177 | -59.1 | -179.2 | 0 | 0 | 0 | 112.7 | P125 N128 H182 | P125-L184 HydrophobicContact CG-CD1 4.31Å; N128-L184 WeakPolarHBondContact ND2-CD2 3.47Å; H182-L184 PolarHBondContact O-N 2.83Å |
| 185 | S | 75.3 | Confident | 85.4 | Confident | 72 Ų | 72 | 56.7 Ų | 56.7 | 50% | 0.503 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -85.3 | 144.3 | 174.3 | 59.6 | 0 | 0 | 0 | 0 | 110.7 | C183 D187 | C183-S185 VanDerWaalsContact C-N 3.29Å; C183-S185 PolarHBondContact SG-OG 2.76Å; S185-D187 PolarHBondContact O-N 3.21Å |
| 186 | D | 66.7 | Low | 85.4 | Confident | 181 Ų | 181 | 57.5 Ų | 57.5 | 97% | 0.968 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -51.8 | -15.1 | -178.5 | -84.3 | -35.9 | 0 | 0 | 0 | 115.4 | K188 | D186-K188 PolarHBondContact O-N 2.9Š|
| 187 | D | 61.4 | Low | 85.2 | Confident | 129 Ų | 129 | 57.3 Ų | 57.3 | 69% | 0.69 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -88.2 | 93.5 | -176 | -131.6 | -16.5 | 0 | 0 | 0 | 111.8 | S185 | S185-D187 PolarHBondContact O-N 3.21Š|
| 188 | K | 60.7 | Low | 85 | Confident | 170 Ų | 170 | 64 Ų | 64 | 74% | 0.739 | 35% | 0.352 | S | S | * | . | trans | 66.7 | 136.8 | 171.9 | -63.1 | 174.8 | -179.9 | 171.6 | 0 | 115.8 | C183 D186 A190 | C183-K188 WeakPolarHBondContact CB-O 3.42Å; D186-K188 PolarHBondContact O-N 2.9Å; K188-A190 PolarHBondContact O-N 2.74Å | ||
| 189 | A | 69.2 | Low | 84.7 | Confident | 93 Ų | 93 | 64.5 Ų | 64.5 | 77% | 0.769 | 36% | 0.355 | S | S | * | . | trans | -67.3 | 45.6 | 173 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 190 | A | 85.5 | Confident | 84.4 | Confident | 53 Ų | 53 | 69.9 Ų | 69.9 | 44% | 0.438 | 38% | 0.375 | S | S | . | . | trans | -76.7 | 150.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | C183 K188 | C183-A190 WeakPolarHBondContact CB-O 3.22Å; C183-A190 PolarHBondContact N-O 2.92Å; K188-A190 PolarHBondContact O-N 2.74Å | ||
| 191 | A | 90.5 | Very high | 84 | Confident | 60 Ų | 60 | 68.1 Ų | 68.1 | 50% | 0.496 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 131.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | W131 Y180 | W131-A191 HydrophobicContact CH2-CB 4.16Å; W131-A191 HydrophobicContact CZ2-CB 3.6Å; Y180-A191 HydrophobicContact CD1-CB 4.09Å |
| 192 | Q | 91.8 | Very high | 83.6 | Confident | 90 Ų | 90 | 75.1 Ų | 75.1 | 42% | 0.421 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 130.4 | 175.3 | -173.8 | 177 | 29 | 0 | 0 | 110.3 | Y180 T181 V194 | Y180-Q192 VanDerWaalsContact CA-O 3.24Å; Y180-Q192 WeakPolarHBondContact CA-O 3.28Å; Y180-Q192 VanDerWaalsContact CD1-C 3.49Å; Y180-Q192 WeakPolarHBondContact CD1-O 3.46Å; T181-Q192 HydrophobicContact CG2-CB 4.47Å; T181-Q192 PolarHBondContact N-O 3.27Å; T181-Q192 PolarHBondContact O-N 2.85Å; Q192-V194 PolarHBondContact O-N 3.49Å |
| 193 | L | 93.6 | Very high | 83.1 | Confident | 40 Ų | 40 | 76.3 Ų | 76.3 | 21% | 0.209 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 118 | 171.5 | 178 | 64.6 | 0 | 0 | 0 | 109 | Q178 Y180 A219 | Q178-L193 HydrophobicContact CB-CD1 3.64Å; Q178-L193 HydrophobicContact CG-CD1 3.97Å; Y180-L193 HydrophobicContact CD1-CB 4.2Å; Y180-L193 HydrophobicContact CD2-CD1 4.16Å; Y180-L193 HydrophobicContact CE1-CB 3.69Å; Y180-L193 HydrophobicContact CE1-CD1 4.29Å; Y180-L193 HydrophobicContact CE2-CD1 3.69Å; L193-A219 HydrophobicContact CB-CB 4.22Å; L193-A219 HydrophobicContact CD2-CB 3.77Å; L193-A219 HydrophobicContact CG-CB 3.67Å; L193-A219 WeakPolarHBondContact O-CB 3.38Å |
| 194 | V | 92.3 | Very high | 82.8 | Confident | 16 Ų | 16 | 75.9 Ų | 75.9 | 10% | 0.097 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | -53.3 | -178.8 | -178 | 0 | 0 | 0 | 0 | 110.4 | C95 L123 I124 M179 T181 Q192 A219 | C95-V194 PolarHBondContact SG-O 2.85Å; C95-V194 VanDerWaalsContact SG-O 3.41Å; L123-V194 HydrophobicContact CB-CG1 4.03Å; L123-V194 HydrophobicContact CD1-CG1 4.12Å; I124-V194 HydrophobicContact CD1-CG1 4.15Å; I124-V194 HydrophobicContact CD1-CG2 4.3Å; I124-V194 HydrophobicContact CG1-CG1 4.18Å; I124-V194 HydrophobicContact CG1-CG2 4.24Å; M179-V194 HydrophobicContact CE-CB 3.76Å; M179-V194 HydrophobicContact CE-CG1 3.59Å; M179-V194 PolarHBondContact O-N 3.4Å; T181-V194 HydrophobicContact CG2-CG2 3.31Å; Q192-V194 PolarHBondContact O-N 3.49Å; V194-A219 PolarHBondContact O-N 3.08Å; V194-A219 VanDerWaalsContact O-N 3.16Å |
| 195 | G | 92.1 | Very high | 82.6 | Confident | 0 Ų | 0 | 82 Ų | 82 | 0% | 0 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 162.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | M179 S217 | M179-G195 PolarHBondContact N-O 2.93Å; G195-S217 CarbonylContact C-O 3.58Å; G195-S217 WeakPolarHBondContact CA-O 3.48Å |
| 196 | Q | 94 | Very high | 82.4 | Confident | 17 Ų | 17 | 79.3 Ų | 79.3 | 8% | 0.079 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 151.1 | -179.3 | 66 | -169.8 | -38.2 | 0 | 0 | 112.6 | L176 C177 Q178 S217 V222 | L176-Q196 HydrophobicContact CD1-CB 4.25Å; C177-Q196 CarbonylContact O-C 3.57Å; C177-Q196 WeakPolarHBondContact O-CA 3.38Å; C177-Q196 WeakPolarHBondContact O-CB 3.37Å; Q178-Q196 HydrophobicContact CB-CB 4.48Å; Q178-Q196 HydrophobicContact CG-CB 3.8Å; Q196-S217 PolarHBondContact N-O 3.34Å; Q196-S217 PolarHBondContact O-N 2.81Å; Q196-S217 PolarHBondContact O-OG 2.99Å; Q196-V222 HydrophobicContact CG-CG2 3.99Å |
| 197 | S | 91.8 | Very high | 82.3 | Confident | 19 Ų | 19 | 75.2 Ų | 75.2 | 13% | 0.133 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 147.7 | 175.8 | -160.7 | 0 | 0 | 0 | 0 | 110.8 | L176 C177 V215 | L176-S197 WeakPolarHBondContact CA-O 3.19Å; C177-S197 PolarHBondContact N-O 2.76Å; C177-S197 PolarHBondContact O-N 3.43Å; S197-V215 WeakPolarHBondContact CB-O 3.46Å; S197-V215 PolarHBondContact OG-O 3.05Å |
| 198 | R | 91.5 | Very high | 82.7 | Confident | 141 Ų | 141 | 77.1 Ų | 77.1 | 53% | 0.532 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 136.1 | -176.2 | -179.2 | -179.3 | 172.6 | 169.4 | 1.6 | 110.3 | A174 L175 L176 | A174-R198 HydrophobicContact CB-CG 4.23Å; L175-R198 CarbonylContact O-C 3.51Å; L175-R198 VanDerWaalsContact O-CA 3.32Å; L175-R198 WeakPolarHBondContact O-CA 3.35Å; L176-R198 HydrophobicContact CD1-CB 4.17Å |
| 199 | I | 89.9 | Confident | 83.3 | Confident | 30 Ų | 30 | 73 Ų | 73 | 15% | 0.154 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 132.2 | 172 | -167.6 | 156.4 | 0 | 0 | 0 | 110.8 | A174 L175 L204 N212 L214 | A174-I199 CarbonylContact C-O 3.49Å; A174-I199 VanDerWaalsContact CA-O 3.31Å; A174-I199 WeakPolarHBondContact CA-O 3.36Å; A174-I199 WeakPolarHBondContact CB-O 3.08Å; L175-I199 HydrophobicContact CB-CG2 4.02Å; L175-I199 PolarHBondContact N-O 2.93Å; L175-I199 PolarHBondContact O-N 2.92Å; I199-L204 HydrophobicContact CD1-CD1 3.89Å; I199-L204 HydrophobicContact CD1-CD2 3.63Å; I199-L204 HydrophobicContact CD1-CG 3.98Å; I199-L204 HydrophobicContact CG1-CD1 4Å; I199-L204 HydrophobicContact CG1-CD2 4.29Å; I199-L204 HydrophobicContact CG1-CG 4.13Å; I199-N212 HydrophobicContact CD1-CB 4.46Å; I199-L214 HydrophobicContact CB-CD2 3.9Å; I199-L214 HydrophobicContact CD1-CD2 3.79Å; I199-L214 HydrophobicContact CG1-CD2 4.47Å; I199-L214 HydrophobicContact CG2-CD1 4.2Å; I199-L214 HydrophobicContact CG2-CD2 4.06Å |
| 200 | R | 90.1 | Very high | 83.5 | Confident | 113 Ų | 113 | 70 Ų | 70 | 43% | 0.426 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 132.4 | 176.8 | -57 | 176.8 | 175.1 | 146.2 | -5.1 | 108.8 | A174 R202 D203 | A174-R200 HydrophobicContact CB-CB 4.43Å; A174-R200 HydrophobicContact CB-CG 4.11Å; R200-R202 HydrophobicContact CB-CG 4.21Å; R200-R202 PolarHBondContact O-N 3.12Å; R200-D203 WeakPolarHBondContact CB-OD2 3.16Å; R200-D203 PolarHBondContact O-N 3.41Å |
| 201 | L | 88.1 | Confident | 83.4 | Confident | 5 Ų | 5 | 70.2 Ų | 70.2 | 3% | 0.026 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -67.6 | -22.9 | -176.9 | -57.8 | -171.9 | 0 | 0 | 0 | 112.5 | L102 L111 L170 V173 L175 D203 L204 I206 | L102-L201 HydrophobicContact CD1-CD2 3.76Å; L111-L201 HydrophobicContact CD1-CD1 4.36Å; L111-L201 HydrophobicContact CD2-CD1 3.7Å; L170-L201 HydrophobicContact CD2-CD1 3.95Å; L170-L201 WeakPolarHBondContact O-CB 3.41Å; V173-L201 HydrophobicContact CB-CD1 3.92Å; V173-L201 HydrophobicContact CB-CG 4.38Å; V173-L201 HydrophobicContact CG1-CD1 3.65Å; V173-L201 HydrophobicContact CG1-CG 4.2Å; V173-L201 PolarHBondContact O-N 2.99Å; L175-L201 HydrophobicContact CB-CD2 4.42Å; L201-D203 VanDerWaalsContact C-N 3.26Å; L201-D203 PolarHBondContact O-N 2.85Å; L201-L204 HydrophobicContact CD2-CD1 4.39Å; L201-L204 PolarHBondContact O-N 2.84Å; L201-I206 HydrophobicContact CB-CD1 3.85Å; L201-I206 HydrophobicContact CD2-CD1 3.91Å; L201-I206 HydrophobicContact CG-CD1 4.29Å |
| 202 | R | 84.7 | Confident | 83.1 | Confident | 148 Ų | 148 | 68.5 Ų | 68.5 | 56% | 0.558 | 32% | 0.324 | S | S | * | . | G | 310 helix | trans | -67.7 | -24.9 | 173.5 | 81 | -172 | -178.8 | -176 | 0.1 | 113.9 | R171 R200 L204 | R171-R202 HydrophobicContact CB-CB 4.28Å; R200-R202 HydrophobicContact CB-CG 4.21Å; R200-R202 PolarHBondContact O-N 3.12Å; R202-L204 PolarHBondContact O-N 2.85Å |
| 203 | D | 80.3 | Confident | 82.8 | Confident | 104 Ų | 104 | 66 Ų | 66 | 56% | 0.556 | 31% | 0.311 | S | S | * | . | G | 310 helix | trans | -83.2 | -5.2 | -178.9 | -56.7 | -17.8 | 0 | 0 | 0 | 110.2 | R200 L201 | R200-D203 WeakPolarHBondContact CB-OD2 3.16Å; R200-D203 PolarHBondContact O-N 3.41Å; L201-D203 VanDerWaalsContact C-N 3.26Å; L201-D203 PolarHBondContact O-N 2.85Å |
| 204 | L | 75.9 | Confident | 82.5 | Confident | 26 Ų | 26 | 64.6 Ų | 64.6 | 14% | 0.136 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -108.2 | 136.9 | -179.5 | -63.6 | 178.1 | 0 | 0 | 0 | 111.3 | L102 I199 L201 R202 I206 N212 | L102-L204 HydrophobicContact CD1-CD1 3.31Å; L102-L204 HydrophobicContact CG-CD1 4.5Å; I199-L204 HydrophobicContact CD1-CD1 3.89Å; I199-L204 HydrophobicContact CD1-CD2 3.63Å; I199-L204 HydrophobicContact CD1-CG 3.98Å; I199-L204 HydrophobicContact CG1-CD1 4Å; I199-L204 HydrophobicContact CG1-CD2 4.29Å; I199-L204 HydrophobicContact CG1-CG 4.13Å; L201-L204 HydrophobicContact CD2-CD1 4.39Å; L201-L204 PolarHBondContact O-N 2.84Å; R202-L204 PolarHBondContact O-N 2.85Å; L204-I206 HydrophobicContact CB-CD1 4.02Å; L204-I206 HydrophobicContact CB-CG1 3.48Å; L204-I206 VanDerWaalsContact CB-CG1 3.48Å; L204-I206 HydrophobicContact CD1-CD1 4.25Å; L204-I206 HydrophobicContact CD1-CG1 4.35Å; L204-I206 PolarHBondContact O-N 2.9Å; L204-N212 WeakPolarHBondContact CD2-OD1 3.13Å |
| 205 | R | 69.9 | Low | 82.2 | Confident | 215 Ų | 215 | 65.4 Ų | 65.4 | 81% | 0.811 | 31% | 0.308 | S | S | * | . | trans | -82.6 | 70.3 | 167.7 | -69.2 | -174.6 | 179 | 173.3 | 0.3 | 110.1 | T207 | R205-T207 PolarHBondContact O-N 2.91Š| ||
| 206 | I | 69.5 | Low | 82 | Confident | 15 Ų | 15 | 65.4 Ų | 65.4 | 8% | 0.077 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | 48 | 179.3 | -37.1 | 175.8 | 0 | 0 | 0 | 111 | L201 L204 | L201-I206 HydrophobicContact CB-CD1 3.85Å; L201-I206 HydrophobicContact CD2-CD1 3.91Å; L201-I206 HydrophobicContact CG-CD1 4.29Å; L204-I206 HydrophobicContact CB-CD1 4.02Å; L204-I206 HydrophobicContact CB-CG1 3.48Å; L204-I206 VanDerWaalsContact CB-CG1 3.48Å; L204-I206 HydrophobicContact CD1-CD1 4.25Å; L204-I206 HydrophobicContact CD1-CG1 4.35Å; L204-I206 PolarHBondContact O-N 2.9Å |
| 207 | T | 66.5 | Low | 81.5 | Confident | 95 Ų | 95 | 66.4 Ų | 66.4 | 58% | 0.583 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | -20.9 | 172.7 | 51.8 | 0 | 0 | 0 | 0 | 111.9 | R205 | R205-T207 PolarHBondContact O-N 2.91Š|
| 208 | K | 69 | Low | 81.3 | Confident | 170 Ų | 170 | 66.5 Ų | 66.5 | 74% | 0.739 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -140 | 158.4 | 172.4 | -65.6 | -174.5 | 178.1 | -176.4 | 0 | 107.1 | C210 | K208-C210 PolarHBondContact O-N 3.22Š|
| 209 | S | 72 | Confident | 80.7 | Confident | 84 Ų | 84 | 60.4 Ų | 60.4 | 59% | 0.587 | 30% | 0.297 | S | S | * | . | trans | -52.3 | 129.2 | 176.8 | 49 | 0 | 0 | 0 | 0 | 109.8 | L102 | L102-S209 WeakPolarHBondContact O-CA 3.48Š| ||
| 210 | C | 74.4 | Confident | 79.7 | Confident | 28 Ų | 28 | 63.3 Ų | 63.3 | 19% | 0.189 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 128.5 | 179.9 | 61.4 | 0 | 0 | 0 | 0 | 109.9 | R101 L102 K208 N212 | R101-C210 WeakPolarHBondContact CA-O 3.39Å; L102-C210 PolarHBondContact N-O 3.31Å; L102-C210 PolarHBondContact O-N 2.86Å; K208-C210 PolarHBondContact O-N 3.22Å; C210-N212 PolarHBondContact O-ND2 3.19Å |
| 211 | T | 84.5 | Confident | 78.2 | Confident | 58 Ų | 58 | 61.4 Ų | 61.4 | 36% | 0.356 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 133.1 | 173.2 | -62.5 | 0 | 0 | 0 | 0 | 109.1 | E99 | E99-T211 HydrophobicContact CG-CG2 3.57Å; E99-T211 WeakPolarHBondContact OE1-CG2 3.46Å |
| 212 | N | 83.5 | Confident | 76.6 | Confident | 24 Ų | 24 | 63.7 Ų | 63.7 | 13% | 0.128 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 141.2 | -179.5 | -63.2 | -88.8 | 0 | 0 | 0 | 109.4 | V100 I199 L204 C210 L214 | V100-N212 PolarHBondContact N-O 3.16Å; V100-N212 PolarHBondContact O-N 3.11Å; I199-N212 HydrophobicContact CD1-CB 4.46Å; L204-N212 WeakPolarHBondContact CD2-OD1 3.13Å; C210-N212 PolarHBondContact O-ND2 3.19Å; N212-L214 HydrophobicContact CB-CD2 4.48Å |
| 213 | W | 84.4 | Confident | 74.7 | Confident | 39 Ų | 39 | 64.2 Ų | 64.2 | 15% | 0.148 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 115.3 | 174.2 | -70.3 | 90.5 | 0 | 0 | 0 | 108.9 | M85 I97 E99 H119 V271 T272 | M85-W213 HydrophobicContact SD-CG 4.46Å; I97-W213 HydrophobicContact CB-CE3 4.4Å; I97-W213 HydrophobicContact CG2-CB 4.04Å; I97-W213 HydrophobicContact CG2-CE3 3.89Å; E99-W213 HydrophobicContact CB-CD2 4.25Å; E99-W213 HydrophobicContact CB-CE3 3.95Å; E99-W213 HydrophobicContact CB-CH2 3.71Å; E99-W213 HydrophobicContact CB-CZ2 4.03Å; E99-W213 HydrophobicContact CB-CZ3 3.7Å; E99-W213 VanDerWaalsContact CD-CZ2 3.46Å; E99-W213 HydrophobicContact CG-CD2 4.22Å; E99-W213 HydrophobicContact CG-CE3 4.42Å; E99-W213 HydrophobicContact CG-CH2 3.93Å; E99-W213 HydrophobicContact CG-CZ2 3.72Å; E99-W213 HydrophobicContact CG-CZ3 4.3Å; E99-W213 WeakPolarHBondContact OE2-CH2 3.06Å; E99-W213 WeakPolarHBondContact OE2-CZ2 3.47Å; H119-W213 AromaticContact CD2-CH2 3.87Å; H119-W213 AromaticContact CD2-CZ3 3.58Å; H119-W213 AromaticContact NE2-CH2 3.96Å; W213-V271 HydrophobicContact CH2-CG1 4.46Å; W213-V271 HydrophobicContact CZ2-CG1 3.97Å; W213-T272 HydrophobicContact CH2-CG2 3.23Å; W213-T272 HydrophobicContact CZ2-CG2 4.04Å; W213-T272 HydrophobicContact CZ3-CG2 3.69Å |
| 214 | L | 87.7 | Confident | 72.8 | Confident | 9 Ų | 9 | 63 Ų | 63 | 5% | 0.047 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 111 | -177.2 | -58.1 | -174.9 | 0 | 0 | 0 | 109.6 | I97 V98 V100 I199 N212 L216 | I97-L214 WeakPolarHBondContact CA-O 3.34Å; I97-L214 WeakPolarHBondContact CG2-O 3.33Å; V98-L214 HydrophobicContact CG1-CB 3.81Å; V98-L214 PolarHBondContact N-O 3.21Å; V98-L214 PolarHBondContact O-N 2.94Å; V100-L214 HydrophobicContact CB-CD1 4.24Å; V100-L214 HydrophobicContact CG2-CD1 3.81Å; V100-L214 HydrophobicContact CG2-CG 4.31Å; I199-L214 HydrophobicContact CB-CD2 3.9Å; I199-L214 HydrophobicContact CD1-CD2 3.79Å; I199-L214 HydrophobicContact CG1-CD2 4.47Å; I199-L214 HydrophobicContact CG2-CD1 4.2Å; I199-L214 HydrophobicContact CG2-CD2 4.06Å; N212-L214 HydrophobicContact CB-CD2 4.48Å; L214-L216 PolarHBondContact O-N 3.43Å |
| 215 | V | 85.5 | Confident | 71.4 | Confident | 33 Ų | 33 | 66.6 Ų | 66.6 | 20% | 0.2 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 126.3 | 173.6 | 174 | 0 | 0 | 0 | 0 | 109.6 | A86 S93 I97 S197 | A86-V215 HydrophobicContact CB-CB 4.11Å; A86-V215 HydrophobicContact CB-CG2 3.25Å; S93-V215 WeakPolarHBondContact OG-CG1 3.29Å; I97-V215 HydrophobicContact CD1-CG2 4.23Å; I97-V215 HydrophobicContact CG1-CG2 4.04Å; I97-V215 HydrophobicContact CG2-CG2 3.94Å; S197-V215 WeakPolarHBondContact CB-O 3.46Å; S197-V215 PolarHBondContact OG-O 3.05Å |
| 216 | L | 88.9 | Confident | 70 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -82.6 | 118.8 | 177.5 | -62.4 | 171.9 | 0 | 0 | 0 | 108.8 | S93 C95 G96 V98 L118 F132 M179 L214 | S93-L216 VanDerWaalsContact CB-O 3.29Å; S93-L216 WeakPolarHBondContact CB-O 3.41Å; S93-L216 PolarHBondContact OG-O 3.43Å; C95-L216 HydrophobicContact CB-CB 3.64Å; C95-L216 WeakPolarHBondContact CB-O 3.42Å; C95-L216 WeakPolarHBondContact O-CD1 3.35Å; G96-L216 WeakPolarHBondContact O-CB 3.41Å; G96-L216 PolarHBondContact O-N 3.36Å; V98-L216 HydrophobicContact CG1-CD2 4.1Å; V98-L216 HydrophobicContact CG1-CG 4.38Å; L118-L216 HydrophobicContact CD1-CD1 3.69Å; F132-L216 HydrophobicContact CE1-CD1 4.07Å; F132-L216 HydrophobicContact CE1-CD2 4.31Å; F132-L216 HydrophobicContact CZ-CD1 4.2Å; M179-L216 HydrophobicContact CB-CD1 4.14Å; M179-L216 HydrophobicContact CE-CD1 3.96Å; M179-L216 HydrophobicContact SD-CD1 3.91Å; L214-L216 PolarHBondContact O-N 3.43Å |
| 217 | S | 83.5 | Confident | 68.4 | Low | 39 Ų | 39 | 66 Ų | 66 | 27% | 0.273 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 142 | 171.8 | 61.8 | 0 | 0 | 0 | 0 | 110.5 | G195 Q196 | G195-S217 CarbonylContact C-O 3.58Å; G195-S217 WeakPolarHBondContact CA-O 3.48Å; Q196-S217 PolarHBondContact N-O 3.34Å; Q196-S217 PolarHBondContact O-N 2.81Å; Q196-S217 PolarHBondContact O-OG 2.99Å |
| 218 | P | 86.6 | Confident | 67.3 | Low | 20 Ų | 20 | 69.3 Ų | 69.3 | 13% | 0.13 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.5 | 139.2 | 175.8 | -25.4 | 32.4 | 0 | 0 | 0 | 112.9 | E92 C95 S220 K221 | E92-P218 WeakPolarHBondContact O-CD 3.35Å; C95-P218 WeakPolarHBondContact SG-CA 3.39Å; P218-S220 PolarHBondContact O-N 3.46Å; P218-K221 PolarHBondContact O-N 3.32Å; P218-K221 VanDerWaalsContact O-N 3.16Å |
| 219 | A | 79.4 | Confident | 66.1 | Low | 13 Ų | 13 | 68.5 Ų | 68.5 | 11% | 0.107 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -55.3 | -36.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | L193 V194 K221 V222 | L193-A219 HydrophobicContact CB-CB 4.22Å; L193-A219 HydrophobicContact CD2-CB 3.77Å; L193-A219 HydrophobicContact CG-CB 3.67Å; L193-A219 WeakPolarHBondContact O-CB 3.38Å; V194-A219 PolarHBondContact O-N 3.08Å; V194-A219 VanDerWaalsContact O-N 3.16Å; A219-K221 PolarHBondContact O-N 2.98Å; A219-V222 PolarHBondContact O-N 2.84Å; A219-V222 VanDerWaalsContact O-N 3.12Å |
| 220 | S | 69.9 | Low | 64.8 | Low | 91 Ų | 91 | 70.3 Ų | 70.3 | 64% | 0.636 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -58.5 | -28.7 | -179 | 54.7 | 0 | 0 | 0 | 0 | 113.6 | P218 | P218-S220 PolarHBondContact O-N 3.46Å |
| 221 | K | 57.7 | Low | 63.3 | Low | 73 Ų | 73 | 72 Ų | 72 | 32% | 0.317 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -77.9 | -22.3 | -179.9 | -73.5 | -178.4 | 178.1 | 169.8 | 0 | 113.9 | E92 P218 A219 K232 | E92-K221 WeakPolarHBondContact OE1-CE 3.38Å; E92-K221 IonicContact OE1-NZ 3.6Å; E92-K221 PolarHBondContact OE1-NZ 3.33Å; E92-K221 IonicContact OE2-NZ 2.77Å; E92-K221 PolarHBondContact OE2-NZ 3.43Å; P218-K221 PolarHBondContact O-N 3.32Å; P218-K221 VanDerWaalsContact O-N 3.16Å; A219-K221 PolarHBondContact O-N 2.98Å; K221-K232 PolarHBondContact O-NZ 2.69Å |
| 222 | V | 54.4 | Low | 61.5 | Low | 53 Ų | 53 | 74.1 Ų | 74.1 | 32% | 0.321 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -92.3 | -19.4 | -168.9 | -175.2 | 0 | 0 | 0 | 0 | 112.6 | Q196 A219 N224 V225 | Q196-V222 HydrophobicContact CG-CG2 3.99Å; A219-V222 PolarHBondContact O-N 2.84Å; A219-V222 VanDerWaalsContact O-N 3.12Å; V222-N224 PolarHBondContact O-N 2.78Å; V222-V225 WeakPolarHBondContact O-CG2 3.23Å |
| 223 | Q | 46.2 | Very low | 59.9 | Low | 160 Ų | 160 | 82.3 Ų | 82.3 | 75% | 0.748 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -68.6 | -18.1 | 179.3 | -67.4 | -172.4 | 9.9 | 0 | 0 | 114 | V225 | Q223-V225 VanDerWaalsContact C-N 3.3Å; Q223-V225 PolarHBondContact O-N 3.14Å; Q223-V225 VanDerWaalsContact O-N 3.15Å |
| 224 | N | 39 | Very low | 58.2 | Low | 77 Ų | 77 | 89.2 Ų | 89.2 | 41% | 0.412 | 49% | 0.494 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90 | 51.2 | 178.7 | -64.5 | -0.9 | 0 | 0 | 0 | 112.2 | V222 K232 | V222-N224 PolarHBondContact O-N 2.78Å; N224-K232 PolarHBondContact O-NZ 3.32Å |
| 225 | V | 48 | Very low | 56.9 | Low | 102 Ų | 102 | 95.9 Ų | 95.9 | 62% | 0.618 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.1 | -23.7 | 174.8 | -179.1 | 0 | 0 | 0 | 0 | 112.8 | V222 Q223 | V222-V225 WeakPolarHBondContact O-CG2 3.23Å; Q223-V225 VanDerWaalsContact C-N 3.3Å; Q223-V225 PolarHBondContact O-N 3.14Å; Q223-V225 VanDerWaalsContact O-N 3.15Å |
| 226 | D | 40.5 | Very low | 55.7 | Low | 162 Ų | 162 | 97.2 Ų | 97.2 | 87% | 0.866 | 56% | 0.555 | S | S | * | * | S | Bend | trans | -125.4 | 79 | 176.5 | -67.1 | -45.3 | 0 | 0 | 0 | 110.9 | ||
| 227 | G | 35.6 | Very low | 54.5 | Low | 55 Ų | 55 | 104.8 Ų | 104.8 | 57% | 0.567 | 60% | 0.595 | S | S | * | * | S | Bend | trans | 155.4 | 108.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 228 | I | 43 | Very low | 53.6 | Low | 165 Ų | 165 | 106.8 Ų | 106.8 | 85% | 0.846 | 61% | 0.606 | S | S | * | * | S | Bend | trans | 46.1 | 94.5 | 150.9 | -50.5 | 173.2 | 0 | 0 | 0 | 114.8 | D230 | I228-D230 VanDerWaalsContact C-N 3.25Å; I228-D230 PolarHBondContact O-N 3.23Å |
| 229 | D | 43.7 | Very low | 52.5 | Low | 153 Ų | 153 | 110.2 Ų | 110.2 | 82% | 0.818 | 62% | 0.623 | S | S | * | * | trans | 7.1 | 60.4 | 153.9 | -164.3 | 31.3 | 0 | 0 | 0 | 117.4 | G231 | D229-G231 PolarHBondContact O-N 3.24Š| ||
| 230 | D | 43.8 | Very low | 52.1 | Low | 123 Ų | 123 | 114.6 Ų | 114.6 | 66% | 0.658 | 64% | 0.64 | S | S | * | * | trans | -84.5 | 73.4 | 173.2 | -166.7 | 30.4 | 0 | 0 | 0 | 108 | I228 K232 | I228-D230 VanDerWaalsContact C-N 3.25Å; I228-D230 PolarHBondContact O-N 3.23Å; D230-K232 PolarHBondContact O-N 3.07Å | ||
| 231 | G | 43.8 | Very low | 52.1 | Low | 62 Ų | 62 | 113.1 Ų | 113.1 | 64% | 0.639 | 63% | 0.629 | S | S | * | * | trans | 52.9 | 16.4 | 158.2 | 0 | 0 | 0 | 0 | 0 | 117.6 | D229 K233 | D229-G231 PolarHBondContact O-N 3.24Å; G231-K233 VanDerWaalsContact C-N 3.35Å; G231-K233 PolarHBondContact O-N 3.28Å | ||
| 232 | K | 47.6 | Very low | 53.2 | Low | 104 Ų | 104 | 114.5 Ų | 114.5 | 45% | 0.452 | 64% | 0.64 | S | S | . | * | trans | -61 | 99.5 | 175.3 | -88.1 | -179.5 | 174.9 | 175 | 0 | 106.6 | K221 N224 D230 Q234 | K221-K232 PolarHBondContact O-NZ 2.69Å; N224-K232 PolarHBondContact O-NZ 3.32Å; D230-K232 PolarHBondContact O-N 3.07Å; K232-Q234 PolarHBondContact O-N 2.87Å | ||
| 233 | K | 49.9 | Very low | 54.4 | Low | 195 Ų | 195 | 115.4 Ų | 115.4 | 85% | 0.848 | 65% | 0.648 | S | S | * | * | trans | -57 | 89.5 | 171.6 | -78.4 | -180 | 177.7 | 174.4 | 0 | 108 | G231 V235 | G231-K233 VanDerWaalsContact C-N 3.35Å; G231-K233 PolarHBondContact O-N 3.28Å; K233-V235 WeakPolarHBondContact O-CG2 3.3Å; K233-V235 PolarHBondContact O-N 2.91Å | ||
| 234 | Q | 48.7 | Very low | 56.2 | Low | 185 Ų | 185 | 113.7 Ų | 113.7 | 86% | 0.864 | 64% | 0.636 | S | S | * | * | trans | -64.5 | 105.2 | 168.5 | -78 | -174.1 | 59.4 | 0 | 0 | 106.3 | K232 G236 | K232-Q234 PolarHBondContact O-N 2.87Å; Q234-G236 PolarHBondContact O-N 2.8Å | ||
| 235 | V | 59.3 | Low | 58.3 | Low | 148 Ų | 148 | 112.1 Ų | 112.1 | 90% | 0.897 | 63% | 0.631 | S | S | * | * | trans | -72.6 | -9.1 | -178.4 | -166.5 | 0 | 0 | 0 | 0 | 111.1 | K233 | K233-V235 WeakPolarHBondContact O-CG2 3.3Å; K233-V235 PolarHBondContact O-N 2.91Å | ||
| 236 | G | 59.6 | Low | 60.2 | Low | 62 Ų | 62 | 111.1 Ų | 111.1 | 64% | 0.639 | 63% | 0.627 | S | S | * | * | trans | 86.4 | -179 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q234 | Q234-G236 PolarHBondContact O-N 2.8Š| ||
| 237 | D | 64.9 | Low | 62.4 | Low | 158 Ų | 158 | 108.5 Ų | 108.5 | 85% | 0.845 | 63% | 0.627 | S | S | * | * | trans | -100.1 | 143.2 | -179.1 | -62.1 | -38.8 | 0 | 0 | 0 | 112.4 | ||||
| 238 | V | 64.4 | Low | 64.8 | Low | 82 Ų | 82 | 108.6 Ų | 108.6 | 50% | 0.497 | 62% | 0.623 | S | S | . | * | trans | -106.5 | 133.6 | 170.9 | 65.2 | 0 | 0 | 0 | 0 | 110.7 | F240 V259 | V238-F240 HydrophobicContact CG1-CD1 4.31Å; V238-F240 HydrophobicContact CG1-CE1 4.47Å; V238-V259 HydrophobicContact CG2-CG1 3.95Å; V238-V259 HydrophobicContact CG2-CG2 4.22Å | ||
| 239 | L | 63.9 | Low | 66.8 | Low | 91 Ų | 91 | 107.2 Ų | 107.2 | 48% | 0.476 | 61% | 0.613 | S | S | . | * | trans | -104.3 | 125.6 | 175.7 | -179 | 64 | 0 | 0 | 0 | 110.2 | M256 | L239-M256 HydrophobicContact CD1-CE 4.23Å; L239-M256 HydrophobicContact CD2-CE 3.67Å; L239-M256 HydrophobicContact CD2-SD 3.46Å; L239-M256 WeakPolarHBondContact CD2-SD 3.2Å; L239-M256 HydrophobicContact CG-CE 3.62Å; L239-M256 HydrophobicContact CG-SD 3.92Å; L239-M256 PolarHBondContact O-N 3.2Å | ||
| 240 | F | 70.9 | Confident | 68.7 | Low | 106 Ų | 106 | 107 Ų | 107 | 47% | 0.465 | 60% | 0.6 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -144.4 | 162.8 | 175 | 64.1 | -83.2 | 0 | 0 | 0 | 110.8 | V238 L242 V254 | V238-F240 HydrophobicContact CG1-CD1 4.31Å; V238-F240 HydrophobicContact CG1-CE1 4.47Å; F240-L242 HydrophobicContact CD2-CD1 4.49Å; F240-L242 HydrophobicContact CD2-CD2 4.03Å; F240-L242 HydrophobicContact CD2-CG 3.93Å; F240-L242 HydrophobicContact CE2-CD1 3.87Å; F240-L242 HydrophobicContact CE2-CD2 4.14Å; F240-L242 HydrophobicContact CE2-CG 3.82Å; F240-V254 CarbonylContact C-O 3.55Å; F240-V254 WeakPolarHBondContact CA-O 3.31Å; F240-V254 WeakPolarHBondContact CB-O 3.34Å |
| 241 | S | 69.4 | Low | 70.5 | Confident | 60 Ų | 60 | 106.3 Ų | 106.3 | 42% | 0.42 | 60% | 0.596 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -124.6 | 144.1 | 175.4 | 178.7 | 0 | 0 | 0 | 0 | 110.2 | V253 V254 | S241-V253 WeakPolarHBondContact O-CA 3.22Å; S241-V254 PolarHBondContact N-O 3.08Å; S241-V254 PolarHBondContact O-N 2.88Å |
| 242 | L | 80.6 | Confident | 72.3 | Confident | 102 Ų | 102 | 106 Ų | 106 | 53% | 0.534 | 58% | 0.582 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -122.4 | 138.4 | 179.5 | -62.6 | 179.1 | 0 | 0 | 0 | 110.3 | F240 T252 V253 | F240-L242 HydrophobicContact CD2-CD1 4.49Å; F240-L242 HydrophobicContact CD2-CD2 4.03Å; F240-L242 HydrophobicContact CD2-CG 3.93Å; F240-L242 HydrophobicContact CE2-CD1 3.87Å; F240-L242 HydrophobicContact CE2-CD2 4.14Å; F240-L242 HydrophobicContact CE2-CG 3.82Å; L242-T252 WeakPolarHBondContact CA-O 3.41Å; L242-V253 HydrophobicContact CD2-CB 4.1Å; L242-V253 HydrophobicContact CD2-CG1 3.86Å; L242-V253 HydrophobicContact CD2-CG2 3.65Å |
| 243 | S | 80.2 | Confident | 73.8 | Confident | 72 Ų | 72 | 104 Ų | 104 | 50% | 0.503 | 58% | 0.578 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -141.9 | 134.1 | 171.5 | 178.2 | 0 | 0 | 0 | 0 | 109.9 | T252 | S243-T252 PolarHBondContact N-O 2.94Å; S243-T252 PolarHBondContact O-N 3.27Å |
| 244 | Y | 83.5 | Confident | 75 | Confident | 123 Ų | 123 | 98.3 Ų | 98.3 | 48% | 0.482 | 56% | 0.56 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -116.7 | 128.8 | 175.6 | 179.6 | -119.6 | 0 | 0 | 0 | 110.3 | P246 Q249 L251 | Y244-P246 HydrophobicContact CD1-CG 3.87Å; Y244-P246 HydrophobicContact CE1-CB 3.91Å; Y244-P246 HydrophobicContact CE1-CG 3.66Å; Y244-Q249 PolarHBondContact OH-NE2 2.8Å; Y244-Q249 PolarHBondContact OH-OE1 2.94Å; Y244-L251 HydrophobicContact CD2-CB 4.47Å |
| 245 | S | 84.2 | Confident | 76.1 | Confident | 45 Ų | 45 | 92 Ų | 92 | 32% | 0.315 | 53% | 0.532 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 104.3 | 171.1 | 179.1 | 0 | 0 | 0 | 0 | 108.9 | A247 A248 Q249 R250 | S245-A247 VanDerWaalsContact C-N 3.35Å; S245-A247 PolarHBondContact O-N 2.95Å; S245-A248 PolarHBondContact O-N 2.85Å; S245-Q249 PolarHBondContact O-N 2.82Å; S245-R250 PolarHBondContact N-O 3.27Å; S245-R250 PolarHBondContact O-N 3.42Å; S245-R250 VanDerWaalsContact O-N 3.12Å |
| 246 | P | 86.2 | Confident | 76.4 | Confident | 81 Ų | 81 | 90.4 Ų | 90.4 | 53% | 0.526 | 52% | 0.516 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -41.6 | -178.8 | -22.7 | 31.2 | 0 | 0 | 0 | 113.1 | Y244 A248 Q249 | Y244-P246 HydrophobicContact CD1-CG 3.87Å; Y244-P246 HydrophobicContact CE1-CB 3.91Å; Y244-P246 HydrophobicContact CE1-CG 3.66Å; P246-A248 VanDerWaalsContact C-N 3.27Å; P246-A248 PolarHBondContact O-N 2.95Å; P246-Q249 PolarHBondContact O-N 2.85Å; P246-Q249 VanDerWaalsContact O-N 3.09Å; P246-Q249 PolarHBondContact O-NE2 3.11Å |
| 247 | A | 86.4 | Confident | 76.7 | Confident | 106 Ų | 106 | 93.7 Ų | 93.7 | 88% | 0.876 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -34.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | S245 | S245-A247 VanDerWaalsContact C-N 3.35Å; S245-A247 PolarHBondContact O-N 2.95Å |
| 248 | A | 87.2 | Confident | 76.7 | Confident | 58 Ų | 58 | 97.7 Ų | 97.7 | 48% | 0.479 | 52% | 0.516 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93 | -2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | S245 P246 R250 | S245-A248 PolarHBondContact O-N 2.85Å; P246-A248 VanDerWaalsContact C-N 3.27Å; P246-A248 PolarHBondContact O-N 2.95Å; A248-R250 HydrophobicContact CB-CB 3.91Å; A248-R250 PolarHBondContact O-N 2.87Å; A248-R250 VanDerWaalsContact O-N 3.11Å |
| 249 | Q | 85.1 | Confident | 76.9 | Confident | 136 Ų | 136 | 96 Ų | 96 | 64% | 0.636 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.6 | 39.5 | -170.3 | -65.7 | -69.5 | -52.6 | 0 | 0 | 112 | Y244 S245 P246 | Y244-Q249 PolarHBondContact OH-NE2 2.8Å; Y244-Q249 PolarHBondContact OH-OE1 2.94Å; S245-Q249 PolarHBondContact O-N 2.82Å; P246-Q249 PolarHBondContact O-N 2.85Å; P246-Q249 VanDerWaalsContact O-N 3.09Å; P246-Q249 PolarHBondContact O-NE2 3.11Å |
| 250 | R | 83.4 | Confident | 77.3 | Confident | 147 Ų | 147 | 96.7 Ų | 96.7 | 56% | 0.555 | 50% | 0.502 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 115.5 | -168.8 | -170.5 | 173.1 | 71.3 | -167.4 | 1.2 | 110.8 | S245 A248 | S245-R250 PolarHBondContact N-O 3.27Å; S245-R250 PolarHBondContact O-N 3.42Å; S245-R250 VanDerWaalsContact O-N 3.12Å; A248-R250 HydrophobicContact CB-CB 3.91Å; A248-R250 PolarHBondContact O-N 2.87Å; A248-R250 VanDerWaalsContact O-N 3.11Å |
| 251 | L | 81.8 | Confident | 77.5 | Confident | 109 Ų | 109 | 94.9 Ų | 94.9 | 57% | 0.571 | 50% | 0.497 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 127.3 | 164.4 | -178.9 | 66.2 | 0 | 0 | 0 | 109.2 | Y244 V253 | Y244-L251 HydrophobicContact CD2-CB 4.47Å; L251-V253 HydrophobicContact CD2-CG2 4.33Å; L251-V253 HydrophobicContact CG-CG2 4.24Å |
| 252 | T | 81.7 | Confident | 78.1 | Confident | 56 Ų | 56 | 97.5 Ų | 97.5 | 34% | 0.344 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 124.8 | 175.2 | -51.2 | 0 | 0 | 0 | 0 | 108.6 | L242 S243 V254 | L242-T252 WeakPolarHBondContact CA-O 3.41Å; S243-T252 PolarHBondContact N-O 2.94Å; S243-T252 PolarHBondContact O-N 3.27Å; T252-V254 HydrophobicContact CG2-CG2 4.24Å |
| 253 | V | 79.4 | Confident | 78.1 | Confident | 62 Ų | 62 | 96 Ų | 96 | 38% | 0.376 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 117.8 | 175.6 | -172.8 | 0 | 0 | 0 | 0 | 107.8 | S241 L242 L251 I255 | S241-V253 WeakPolarHBondContact O-CA 3.22Å; L242-V253 HydrophobicContact CD2-CB 4.1Å; L242-V253 HydrophobicContact CD2-CG1 3.86Å; L242-V253 HydrophobicContact CD2-CG2 3.65Å; L251-V253 HydrophobicContact CD2-CG2 4.33Å; L251-V253 HydrophobicContact CG-CG2 4.24Å; V253-I255 HydrophobicContact CG1-CG1 4.11Å |
| 254 | V | 75.2 | Confident | 78.1 | Confident | 76 Ų | 76 | 94.5 Ų | 94.5 | 46% | 0.461 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 126 | 177 | -177.8 | 0 | 0 | 0 | 0 | 108.7 | F240 S241 T252 | F240-V254 CarbonylContact C-O 3.55Å; F240-V254 WeakPolarHBondContact CA-O 3.31Å; F240-V254 WeakPolarHBondContact CB-O 3.34Å; S241-V254 PolarHBondContact N-O 3.08Å; S241-V254 PolarHBondContact O-N 2.88Å; T252-V254 HydrophobicContact CG2-CG2 4.24Å |
| 255 | I | 70.3 | Confident | 78.1 | Confident | 53 Ų | 53 | 91.5 Ų | 91.5 | 27% | 0.272 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 122 | -176.2 | -51 | 173 | 0 | 0 | 0 | 109.2 | V253 V259 L261 | V253-I255 HydrophobicContact CG1-CG1 4.11Å; I255-V259 HydrophobicContact CB-CG2 4.44Å; I255-V259 HydrophobicContact CG2-CG2 3.09Å; I255-L261 HydrophobicContact CD1-CB 3.75Å; I255-L261 HydrophobicContact CD1-CD1 3.89Å; I255-L261 HydrophobicContact CD1-CD2 4.11Å; I255-L261 HydrophobicContact CD1-CG 4.11Å |
| 256 | M | 67 | Low | 77.7 | Confident | 113 Ų | 113 | 93 Ų | 93 | 56% | 0.557 | 48% | 0.475 | S | S | * | . | trans | -93 | -12.1 | -168.4 | -63.4 | -174.4 | -136.2 | 0 | 0 | 114.7 | L239 | L239-M256 HydrophobicContact CD1-CE 4.23Å; L239-M256 HydrophobicContact CD2-CE 3.67Å; L239-M256 HydrophobicContact CD2-SD 3.46Å; L239-M256 WeakPolarHBondContact CD2-SD 3.2Å; L239-M256 HydrophobicContact CG-CE 3.62Å; L239-M256 HydrophobicContact CG-SD 3.92Å; L239-M256 PolarHBondContact O-N 3.2Å | ||
| 257 | K | 66.2 | Low | 77.4 | Confident | 132 Ų | 132 | 94.2 Ų | 94.2 | 57% | 0.574 | 47% | 0.474 | S | S | * | . | S | Bend | trans | -126.3 | 165.6 | -173.9 | -70.4 | -175.9 | 178.5 | 177.4 | 0 | 111.8 | V259 | K257-V259 PolarHBondContact O-N 2.97Š|
| 258 | R | 64.4 | Low | 76.8 | Confident | 242 Ų | 242 | 92 Ų | 92 | 91% | 0.913 | 46% | 0.456 | S | S | * | . | S | Bend | trans | -62.8 | 68.1 | 176.8 | -68.4 | -178.5 | 176.5 | 179.5 | -1.4 | 112.4 | ||
| 259 | V | 67.9 | Low | 76.1 | Confident | 45 Ų | 45 | 94.5 Ų | 94.5 | 27% | 0.273 | 46% | 0.457 | S | S | . | . | trans | -118.1 | 157.5 | 173.4 | -60 | 0 | 0 | 0 | 0 | 109.4 | V238 I255 K257 | V238-V259 HydrophobicContact CG2-CG1 3.95Å; V238-V259 HydrophobicContact CG2-CG2 4.22Å; I255-V259 HydrophobicContact CB-CG2 4.44Å; I255-V259 HydrophobicContact CG2-CG2 3.09Å; K257-V259 PolarHBondContact O-N 2.97Å | ||
| 260 | Y | 71.9 | Confident | 74.8 | Confident | 106 Ų | 106 | 90.4 Ų | 90.4 | 42% | 0.416 | 44% | 0.443 | S | S | . | . | P | Polyproline II helix | trans | -92.5 | 134.7 | 175.1 | -30.7 | -89.4 | 0 | 0 | 0 | 106.9 | V282 R285 | Y260-V282 CarbonylContact C-O 3.37Å; Y260-V282 WeakPolarHBondContact CA-O 3.42Å; Y260-R285 HydrophobicContact CE1-CB 3.88Å; Y260-R285 HydrophobicContact CE1-CG 3.92Å; Y260-R285 WeakPolarHBondContact OH-CD 3.24Å; Y260-R285 PolarHBondContact OH-NE 2.88Å; Y260-R285 PolarHBondContact OH-NH1 3Å |
| 261 | L | 76.5 | Confident | 73.4 | Confident | 68 Ų | 68 | 88.5 Ų | 88.5 | 36% | 0.356 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 117.4 | 172.5 | 179.3 | 59.6 | 0 | 0 | 0 | 108.1 | I255 V263 T281 V282 | I255-L261 HydrophobicContact CD1-CB 3.75Å; I255-L261 HydrophobicContact CD1-CD1 3.89Å; I255-L261 HydrophobicContact CD1-CD2 4.11Å; I255-L261 HydrophobicContact CD1-CG 4.11Å; L261-V263 HydrophobicContact CD2-CG2 4.11Å; L261-V263 HydrophobicContact CG-CG2 3.97Å; L261-T281 WeakPolarHBondContact O-CA 3.31Å; L261-V282 PolarHBondContact N-O 3.31Å; L261-V282 PolarHBondContact O-N 2.81Å |
| 262 | R | 81 | Confident | 71.7 | Confident | 116 Ų | 116 | 84.4 Ų | 84.4 | 44% | 0.438 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 122.3 | 168.4 | -174 | 174.4 | 178.8 | 162.9 | 2.4 | 109.1 | H279 V280 | R262-H279 HydrophobicContact CG-CB 4.41Å; R262-H279 PolarHBondContact NE-CD2 3.16Å; R262-H279 PolarHBondContact NH2-CD2 3.22Å; R262-H279 PolarHBondContact NH2-CE1 3.46Å; R262-H279 VanDerWaalsContact NH2-CE1 3.28Å; R262-H279 PolarHBondContact NH2-ND1 2.78Å; R262-H279 PolarHBondContact NH2-NE2 3.46Å; R262-H279 VanDerWaalsContact NH2-NE2 3.13Å; R262-V280 CarbonylContact C-O 3.48Å; R262-V280 VanDerWaalsContact CA-O 3.31Å; R262-V280 WeakPolarHBondContact CA-O 3.31Å |
| 263 | V | 80.7 | Confident | 70.2 | Confident | 70 Ų | 70 | 86 Ų | 86 | 42% | 0.424 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 121.5 | 173.4 | -175.8 | 0 | 0 | 0 | 0 | 107.4 | L261 H279 V280 | L261-V263 HydrophobicContact CD2-CG2 4.11Å; L261-V263 HydrophobicContact CG-CG2 3.97Å; V263-H279 CarbonylContact O-C 3.54Å; V263-H279 VanDerWaalsContact O-CA 3.27Å; V263-H279 WeakPolarHBondContact O-CA 3.46Å; V263-V280 HydrophobicContact CB-CG1 4.03Å; V263-V280 PolarHBondContact N-O 2.83Å; V263-V280 PolarHBondContact O-N 2.96Å |
| 264 | S | 80.8 | Confident | 69.5 | Low | 40 Ų | 40 | 86.2 Ų | 86.2 | 28% | 0.28 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 130.2 | 176.5 | -58.8 | 0 | 0 | 0 | 0 | 109 | G278 H279 | S264-G278 WeakPolarHBondContact CA-O 3.36Å; S264-H279 WeakPolarHBondContact OG-CB 3.48Å |
| 265 | V | 82.1 | Confident | 69.4 | Low | 60 Ų | 60 | 86 Ų | 86 | 36% | 0.364 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 127.4 | 174.2 | -175.2 | 0 | 0 | 0 | 0 | 107.6 | I277 G278 L311 | V265-I277 HydrophobicContact CG1-CD1 3.89Å; V265-I277 PolarHBondContact O-N 2.91Å; V265-G278 PolarHBondContact N-O 3.17Å; V265-G278 PolarHBondContact O-N 3.47Å; V265-L311 HydrophobicContact CB-CD1 3.88Å; V265-L311 HydrophobicContact CG2-CD1 3.83Å; V265-L311 HydrophobicContact CG2-CD2 3.86Å |
| 266 | R | 77 | Confident | 69.7 | Low | 77 Ų | 77 | 85.5 Ų | 85.5 | 29% | 0.291 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 135.2 | 178.5 | -54.3 | -170.6 | 176.5 | -155.1 | 0.7 | 109.3 | L88 F274 T275 | L88-R266 VanDerWaalsContact C-NH2 3.25Å; L88-R266 PolarHBondContact O-NH2 3.11Å; R266-F274 HydrophobicContact CB-CB 4.08Å; R266-T275 CarbonylContact C-O 3.54Å; R266-T275 VanDerWaalsContact CA-O 3.26Å; R266-T275 WeakPolarHBondContact CA-O 3.45Å |
| 267 | E | 79.9 | Confident | 70.4 | Confident | 106 Ų | 106 | 84.5 Ų | 84.5 | 50% | 0.495 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 128.4 | 171.2 | -175.2 | 165 | -134.8 | 0 | 0 | 108.4 | H269 F274 T275 I277 | E267-H269 IonicContact OE2-CE1 3.68Å; E267-F274 CarbonylContact O-C 3.53Å; E267-F274 WeakPolarHBondContact O-CA 3.44Å; E267-T275 PolarHBondContact N-O 3.16Å; E267-T275 PolarHBondContact O-N 3.45Å; E267-I277 HydrophobicContact CB-CD1 3.89Å; E267-I277 HydrophobicContact CB-CG1 3.95Å |
| 268 | A | 74.1 | Confident | 71.3 | Confident | 60 Ų | 60 | 78.2 Ų | 78.2 | 50% | 0.496 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 112 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | F274 | A268-F274 HydrophobicContact CB-CD1 3.52Å; A268-F274 HydrophobicContact CB-CE1 3.42Å; A268-F274 VanDerWaalsContact CB-CE1 3.42Å |
| 269 | H | 72.5 | Confident | 72.2 | Confident | 110 Ų | 110 | 67.6 Ų | 67.6 | 51% | 0.509 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -80.6 | -31.3 | 170.9 | -61 | -57 | 0 | 0 | 0 | 111 | E267 E273 T275 | E267-H269 IonicContact OE2-CE1 3.68Å; H269-E273 HydrophobicContact CB-CB 4.17Å; H269-E273 PolarHBondContact N-O 2.91Å; H269-T275 PolarHBondContact CD2-OG1 3.27Å; H269-T275 WeakPolarHBondContact NE2-CB 3.39Å; H269-T275 PolarHBondContact NE2-OG1 2.86Å |
| 270 | S | 58 | Low | 73 | Confident | 50 Ų | 50 | 66.1 Ų | 66.1 | 35% | 0.35 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -143.2 | -174.7 | 173 | 75.1 | 0 | 0 | 0 | 0 | 109.3 | T272 E273 | S270-T272 PolarHBondContact O-N 3.29Å; S270-T272 PolarHBondContact OG-N 2.88Å; S270-T272 PolarHBondContact OG-OG1 3.37Å; S270-E273 PolarHBondContact N-O 3.28Å; S270-E273 WeakPolarHBondContact OG-CB 3.45Å; S270-E273 PolarHBondContact OG-N 2.82Å |
| 271 | V | 53.2 | Low | 73.4 | Confident | 107 Ų | 107 | 63.2 Ų | 63.2 | 65% | 0.648 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -54.6 | -21 | 174.7 | 174.1 | 0 | 0 | 0 | 0 | 112.2 | W213 F274 | W213-V271 HydrophobicContact CH2-CG1 4.46Å; W213-V271 HydrophobicContact CZ2-CG1 3.97Å; V271-F274 WeakPolarHBondContact O-CZ 3.42Å |
| 272 | T | 45.8 | Very low | 73.7 | Confident | 24 Ų | 24 | 61 Ų | 61 | 15% | 0.147 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -138 | -21 | -168.9 | 56.9 | 0 | 0 | 0 | 0 | 115.5 | H119 W213 S270 F274 | H119-T272 HydrophobicContact CB-CG2 4.46Å; H119-T272 VanDerWaalsContact CD2-CG2 3.46Å; H119-T272 WeakPolarHBondContact CD2-CG2 3.26Å; H119-T272 WeakPolarHBondContact CE1-CB 3.42Å; H119-T272 WeakPolarHBondContact CE1-CG2 3.34Å; H119-T272 PolarHBondContact CE1-OG1 2.91Å; H119-T272 WeakPolarHBondContact ND1-CB 3.21Å; H119-T272 PolarHBondContact ND1-OG1 2.86Å; H119-T272 WeakPolarHBondContact NE2-CG2 3.06Å; W213-T272 HydrophobicContact CH2-CG2 3.23Å; W213-T272 HydrophobicContact CZ2-CG2 4.04Å; W213-T272 HydrophobicContact CZ3-CG2 3.69Å; S270-T272 PolarHBondContact O-N 3.29Å; S270-T272 PolarHBondContact OG-N 2.88Å; S270-T272 PolarHBondContact OG-OG1 3.37Å; T272-F274 WeakPolarHBondContact O-CD2 3.35Å; T272-F274 WeakPolarHBondContact O-CE2 3.28Å; T272-F274 PolarHBondContact O-N 2.89Å |
| 273 | E | 50.2 | Low | 73.6 | Confident | 90 Ų | 90 | 55.5 Ų | 55.5 | 42% | 0.421 | 31% | 0.308 | S | S | . | . | trans | -84.9 | 112.2 | 173.4 | -71.2 | -172.2 | 169.2 | 0 | 0 | 109.1 | H269 S270 | H269-E273 HydrophobicContact CB-CB 4.17Å; H269-E273 PolarHBondContact N-O 2.91Å; S270-E273 PolarHBondContact N-O 3.28Å; S270-E273 WeakPolarHBondContact OG-CB 3.45Å; S270-E273 PolarHBondContact OG-N 2.82Å | ||
| 274 | F | 64.1 | Low | 73.4 | Confident | 66 Ų | 66 | 54.9 Ų | 54.9 | 29% | 0.289 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 125.8 | 178.1 | -53.4 | -84.8 | 0 | 0 | 0 | 110.8 | M85 R266 E267 A268 V271 T272 | M85-F274 HydrophobicContact CE-CE2 3.93Å; M85-F274 HydrophobicContact CE-CZ 4.22Å; R266-F274 HydrophobicContact CB-CB 4.08Å; E267-F274 CarbonylContact O-C 3.53Å; E267-F274 WeakPolarHBondContact O-CA 3.44Å; A268-F274 HydrophobicContact CB-CD1 3.52Å; A268-F274 HydrophobicContact CB-CE1 3.42Å; A268-F274 VanDerWaalsContact CB-CE1 3.42Å; V271-F274 WeakPolarHBondContact O-CZ 3.42Å; T272-F274 WeakPolarHBondContact O-CD2 3.35Å; T272-F274 WeakPolarHBondContact O-CE2 3.28Å; T272-F274 PolarHBondContact O-N 2.89Å |
| 275 | T | 74.8 | Confident | 73 | Confident | 72 Ų | 72 | 62.8 Ų | 62.8 | 44% | 0.442 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 126.8 | 167.2 | -62.6 | 0 | 0 | 0 | 0 | 109.1 | R266 E267 H269 I277 | R266-T275 CarbonylContact C-O 3.54Å; R266-T275 VanDerWaalsContact CA-O 3.26Å; R266-T275 WeakPolarHBondContact CA-O 3.45Å; E267-T275 PolarHBondContact N-O 3.16Å; E267-T275 PolarHBondContact O-N 3.45Å; H269-T275 PolarHBondContact CD2-OG1 3.27Å; H269-T275 WeakPolarHBondContact NE2-CB 3.39Å; H269-T275 PolarHBondContact NE2-OG1 2.86Å; T275-I277 PolarHBondContact O-N 3.26Å; T275-I277 VanDerWaalsContact O-N 3.13Å |
| 276 | T | 75.9 | Confident | 72.8 | Confident | 41 Ų | 41 | 61.3 Ų | 61.3 | 25% | 0.252 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 109.3 | 172.5 | -61.2 | 0 | 0 | 0 | 0 | 108.6 | G278 | T276-G278 VanDerWaalsContact C-N 3.31Å |
| 277 | I | 82.2 | Confident | 72.9 | Confident | 92 Ų | 92 | 62.4 Ų | 62.4 | 47% | 0.472 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | -41.8 | 175.1 | -52.2 | -178.2 | 0 | 0 | 0 | 108.9 | V265 E267 T275 L311 | V265-I277 HydrophobicContact CG1-CD1 3.89Å; V265-I277 PolarHBondContact O-N 2.91Å; E267-I277 HydrophobicContact CB-CD1 3.89Å; E267-I277 HydrophobicContact CB-CG1 3.95Å; T275-I277 PolarHBondContact O-N 3.26Å; T275-I277 VanDerWaalsContact O-N 3.13Å; I277-L311 HydrophobicContact CG2-CD1 4.19Å |
| 278 | G | 83.4 | Confident | 73.3 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 169.4 | -172.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | S264 V265 T276 L312 | S264-G278 WeakPolarHBondContact CA-O 3.36Å; V265-G278 PolarHBondContact N-O 3.17Å; V265-G278 PolarHBondContact O-N 3.47Å; T276-G278 VanDerWaalsContact C-N 3.31Å; G278-L312 CarbonylContact C-O 3.53Å; G278-L312 WeakPolarHBondContact CA-O 3.44Å |
| 279 | H | 84.1 | Confident | 73.9 | Confident | 20 Ų | 20 | 64.3 Ų | 64.3 | 9% | 0.093 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 160.2 | -178.9 | 67.2 | -74.1 | 0 | 0 | 0 | 111.8 | R262 V263 S264 L312 A313 | R262-H279 HydrophobicContact CG-CB 4.41Å; R262-H279 PolarHBondContact NE-CD2 3.16Å; R262-H279 PolarHBondContact NH2-CD2 3.22Å; R262-H279 PolarHBondContact NH2-CE1 3.46Å; R262-H279 VanDerWaalsContact NH2-CE1 3.28Å; R262-H279 PolarHBondContact NH2-ND1 2.78Å; R262-H279 PolarHBondContact NH2-NE2 3.46Å; R262-H279 VanDerWaalsContact NH2-NE2 3.13Å; V263-H279 CarbonylContact O-C 3.54Å; V263-H279 VanDerWaalsContact O-CA 3.27Å; V263-H279 WeakPolarHBondContact O-CA 3.46Å; S264-H279 WeakPolarHBondContact OG-CB 3.48Å; H279-L312 PolarHBondContact N-O 2.82Å; H279-L312 PolarHBondContact ND1-O 2.71Å; H279-L312 PolarHBondContact O-N 3.21Å; H279-A313 PolarHBondContact CE1-O 3.18Å |
| 280 | V | 84.2 | Confident | 74.4 | Confident | 14 Ų | 14 | 60.9 Ų | 60.9 | 9% | 0.085 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 140.8 | 168.2 | 59.9 | 0 | 0 | 0 | 0 | 108.5 | R262 V263 V282 E290 H309 | R262-V280 CarbonylContact C-O 3.48Å; R262-V280 VanDerWaalsContact CA-O 3.31Å; R262-V280 WeakPolarHBondContact CA-O 3.31Å; V263-V280 HydrophobicContact CB-CG1 4.03Å; V263-V280 PolarHBondContact N-O 2.83Å; V263-V280 PolarHBondContact O-N 2.96Å; V280-V282 HydrophobicContact CG2-CG2 4.18Å; V280-E290 HydrophobicContact CG2-CG 4Å; V280-H309 HydrophobicContact CB-CB 4.27Å; V280-H309 HydrophobicContact CG2-CB 3.63Å |
| 281 | T | 82 | Confident | 75.5 | Confident | 45 Ų | 45 | 62.3 Ų | 62.3 | 28% | 0.276 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 126.2 | 172.3 | -55.6 | 0 | 0 | 0 | 0 | 108.5 | L261 C286 | L261-T281 WeakPolarHBondContact O-CA 3.31Å; T281-C286 PolarHBondContact O-SG 3.18Å |
| 282 | V | 81.2 | Confident | 77.1 | Confident | 22 Ų | 22 | 58.1 Ų | 58.1 | 13% | 0.133 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 131.7 | 177.4 | -178.2 | 0 | 0 | 0 | 0 | 108.7 | Y260 L261 V280 W294 | Y260-V282 CarbonylContact C-O 3.37Å; Y260-V282 WeakPolarHBondContact CA-O 3.42Å; L261-V282 PolarHBondContact N-O 3.31Å; L261-V282 PolarHBondContact O-N 2.81Å; V280-V282 HydrophobicContact CG2-CG2 4.18Å; V282-W294 HydrophobicContact CG1-CB 4.03Å; V282-W294 HydrophobicContact CG1-CE3 4.33Å |
| 283 | G | 80.3 | Confident | 79 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 32% | 0.32 | C | S | . | . | S | Bend | trans | 171.3 | 173.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114 | R285 C286 | G283-R285 PolarHBondContact O-N 2.99Å; G283-C286 PolarHBondContact N-SG 2.58Å; G283-C286 VanDerWaalsContact N-SG 3.4Å; G283-C286 WeakPolarHBondContact O-CB 3.38Å; G283-C286 PolarHBondContact O-N 2.96Å |
| 284 | A | 74.8 | Confident | 80.5 | Confident | 56 Ų | 56 | 56 Ų | 56 | 46% | 0.463 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -16 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | W294 | A284-W294 HydrophobicContact CB-CZ2 4.41Š|
| 285 | R | 72.9 | Confident | 81.3 | Confident | 207 Ų | 207 | 57.3 Ų | 57.3 | 78% | 0.781 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.4 | 3.7 | 179 | -64.7 | -175.2 | -179.5 | 169.2 | -2.7 | 113.6 | Y260 G283 | Y260-R285 HydrophobicContact CE1-CB 3.88Å; Y260-R285 HydrophobicContact CE1-CG 3.92Å; Y260-R285 WeakPolarHBondContact OH-CD 3.24Å; Y260-R285 PolarHBondContact OH-NE 2.88Å; Y260-R285 PolarHBondContact OH-NH1 3Å; G283-R285 PolarHBondContact O-N 2.99Å |
| 286 | C | 79 | Confident | 81.8 | Confident | 29 Ų | 29 | 60.5 Ų | 60.5 | 20% | 0.196 | 32% | 0.318 | C | S | . | . | trans | -70 | 167.3 | 170.2 | -62 | 0 | 0 | 0 | 0 | 109.4 | T281 G283 E290 F291 | T281-C286 PolarHBondContact O-SG 3.18Å; G283-C286 PolarHBondContact N-SG 2.58Å; G283-C286 VanDerWaalsContact N-SG 3.4Å; G283-C286 WeakPolarHBondContact O-CB 3.38Å; G283-C286 PolarHBondContact O-N 2.96Å; C286-E290 HydrophobicContact CB-CB 3.77Å; C286-F291 WeakPolarHBondContact O-CB 3.33Å | ||
| 287 | S | 78.8 | Confident | 82.1 | Confident | 99 Ų | 99 | 62.3 Ų | 62.3 | 69% | 0.692 | 32% | 0.324 | S | S | * | . | trans | -118.4 | 172.6 | 170.9 | 58.2 | 0 | 0 | 0 | 0 | 109.4 | E290 | S287-E290 VanDerWaalsContact O-OE2 3.07Š| ||
| 288 | G | 88.4 | Confident | 82.1 | Confident | 61 Ų | 61 | 63.2 Ų | 63.2 | 63% | 0.629 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | 66.8 | -137.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | E290 G292 | G288-E290 VanDerWaalsContact C-N 3.32Å; G288-G292 PolarHBondContact O-N 3.25Å; G288-G292 VanDerWaalsContact O-N 3.15Å |
| 289 | K | 86.2 | Confident | 82.3 | Confident | 145 Ų | 145 | 68.1 Ų | 68.1 | 63% | 0.63 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -71.2 | -31.9 | -172.6 | -72.4 | -172.4 | 176 | -173.6 | 0 | 112 | G292 H293 M307 | K289-G292 PolarHBondContact O-N 2.89Å; K289-H293 WeakPolarHBondContact O-CB 3.48Å; K289-H293 PolarHBondContact O-N 2.87Å; K289-M307 HydrophobicContact CB-SD 4.45Å |
| 290 | E | 83.2 | Confident | 82.2 | Confident | 39 Ų | 39 | 70.9 Ų | 70.9 | 18% | 0.182 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -65.5 | -44.4 | -179.9 | -62.7 | 74.2 | -169.8 | 0 | 0 | 109.8 | V280 C286 S287 G288 H293 W294 H309 | V280-E290 HydrophobicContact CG2-CG 4Å; C286-E290 HydrophobicContact CB-CB 3.77Å; S287-E290 VanDerWaalsContact O-OE2 3.07Å; G288-E290 VanDerWaalsContact C-N 3.32Å; E290-H293 PolarHBondContact O-N 2.78Å; E290-W294 WeakPolarHBondContact O-CB 3.44Å; E290-W294 PolarHBondContact O-N 2.82Å; E290-H309 IonicContact OE1-ND1 2.64Å |
| 291 | F | 81.2 | Confident | 81.7 | Confident | 79 Ų | 79 | 75.6 Ų | 75.6 | 35% | 0.346 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -65.3 | -46 | 172.2 | -177.9 | -107.4 | 0 | 0 | 0 | 112.3 | C286 H293 W294 Q295 | C286-F291 WeakPolarHBondContact O-CB 3.33Å; F291-H293 VanDerWaalsContact C-N 3.27Å; F291-H293 PolarHBondContact O-N 2.83Å; F291-W294 WeakPolarHBondContact O-CB 3.4Å; F291-W294 PolarHBondContact O-N 3.01Å; F291-W294 VanDerWaalsContact O-N 3.16Å; F291-Q295 WeakPolarHBondContact O-CB 3.27Å; F291-Q295 PolarHBondContact O-N 2.86Å |
| 292 | G | 86.5 | Confident | 81.5 | Confident | 19 Ų | 19 | 80.1 Ų | 80.1 | 20% | 0.196 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -60.4 | -37.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | G288 K289 R296 | G288-G292 PolarHBondContact O-N 3.25Å; G288-G292 VanDerWaalsContact O-N 3.15Å; K289-G292 PolarHBondContact O-N 2.89Å; G292-R296 WeakPolarHBondContact O-CG 3.07Å; G292-R296 PolarHBondContact O-N 2.9Å; G292-R296 VanDerWaalsContact O-N 3.1Å |
| 293 | H | 85.7 | Confident | 81.3 | Confident | 30 Ų | 30 | 81.2 Ų | 81.2 | 14% | 0.139 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -64.2 | -48.1 | 173.3 | -171.2 | -161.2 | 0 | 0 | 0 | 111.6 | K289 E290 F291 Q295 R296 M297 L305 M307 H309 | K289-H293 WeakPolarHBondContact O-CB 3.48Å; K289-H293 PolarHBondContact O-N 2.87Å; E290-H293 PolarHBondContact O-N 2.78Å; F291-H293 VanDerWaalsContact C-N 3.27Å; F291-H293 PolarHBondContact O-N 2.83Å; H293-Q295 VanDerWaalsContact C-N 3.34Å; H293-Q295 PolarHBondContact O-N 2.96Å; H293-R296 PolarHBondContact O-N 3.31Å; H293-M297 PolarHBondContact O-N 3.49Å; H293-L305 PolarHBondContact NE2-O 2.97Å; H293-M307 HydrophobicContact CB-CE 3.58Å; H293-M307 HydrophobicContact CB-SD 3.76Å; H293-H309 AromaticContact CE1-NE2 3.84Å; H293-H309 AromaticContact CG-NE2 3.67Å; H293-H309 AromaticContact ND1-CE1 3.73Å; H293-H309 AromaticContact ND1-NE2 2.98Å; H293-H309 PolarHBondContact ND1-NE2 2.9Å |
| 294 | W | 81.3 | Confident | 81 | Confident | 40 Ų | 40 | 86.9 Ų | 86.9 | 15% | 0.152 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -56.7 | -47.6 | 176.3 | 174.4 | -93.7 | 0 | 0 | 0 | 111.8 | V282 A284 E290 F291 R296 M297 M298 | V282-W294 HydrophobicContact CG1-CB 4.03Å; V282-W294 HydrophobicContact CG1-CE3 4.33Å; A284-W294 HydrophobicContact CB-CZ2 4.41Å; E290-W294 WeakPolarHBondContact O-CB 3.44Å; E290-W294 PolarHBondContact O-N 2.82Å; F291-W294 WeakPolarHBondContact O-CB 3.4Å; F291-W294 PolarHBondContact O-N 3.01Å; F291-W294 VanDerWaalsContact O-N 3.16Å; W294-R296 PolarHBondContact O-N 3.12Å; W294-M297 HydrophobicContact CD2-CE 4.09Å; W294-M297 HydrophobicContact CE3-CE 3.39Å; W294-M297 HydrophobicContact CH2-CE 4.08Å; W294-M297 HydrophobicContact CZ3-CE 3.41Å; W294-M297 VanDerWaalsContact CZ3-CE 3.41Å; W294-M297 WeakPolarHBondContact O-CB 3.42Å; W294-M297 PolarHBondContact O-N 2.86Å; W294-M298 HydrophobicContact CZ2-CG 4.33Å; W294-M298 HydrophobicContact CZ2-SD 3.9Å; W294-M298 WeakPolarHBondContact O-CG 3.49Å; W294-M298 PolarHBondContact O-N 2.78Å |
| 295 | Q | 82.3 | Confident | 81.2 | Confident | 93 Ų | 93 | 87.2 Ų | 87.2 | 44% | 0.435 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.3 | -47.3 | -179.8 | -173.6 | 173.7 | -6.7 | 0 | 0 | 111.4 | F291 H293 M297 M298 D299 | F291-Q295 WeakPolarHBondContact O-CB 3.27Å; F291-Q295 PolarHBondContact O-N 2.86Å; H293-Q295 VanDerWaalsContact C-N 3.34Å; H293-Q295 PolarHBondContact O-N 2.96Å; Q295-M297 VanDerWaalsContact C-N 3.26Å; Q295-M297 PolarHBondContact O-N 2.83Å; Q295-M298 WeakPolarHBondContact O-CB 3.48Å; Q295-M298 PolarHBondContact O-N 3.05Å; Q295-D299 PolarHBondContact O-N 3.41Å |
| 296 | R | 84.7 | Confident | 81.7 | Confident | 140 Ų | 140 | 84 Ų | 84 | 53% | 0.528 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -60.9 | -36 | 177 | -70.3 | 178.8 | -169.5 | 138.9 | 5.3 | 112.9 | G292 H293 W294 D299 N300 L305 | G292-R296 WeakPolarHBondContact O-CG 3.07Å; G292-R296 PolarHBondContact O-N 2.9Å; G292-R296 VanDerWaalsContact O-N 3.1Å; H293-R296 PolarHBondContact O-N 3.31Å; W294-R296 PolarHBondContact O-N 3.12Å; R296-D299 PolarHBondContact O-N 3.44Å; R296-N300 WeakPolarHBondContact O-CB 3.49Å; R296-N300 PolarHBondContact O-N 3.28Å; R296-N300 PolarHBondContact O-ND2 3.25Å; R296-L305 HydrophobicContact CB-CD1 3.56Å; R296-L305 WeakPolarHBondContact O-CD1 3.34Å |
| 297 | M | 82.6 | Confident | 81.9 | Confident | 78 Ų | 78 | 85.3 Ų | 85.3 | 38% | 0.384 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65.2 | -40.6 | 175.5 | -175.6 | -170.8 | 71.4 | 0 | 0 | 111.2 | H293 W294 Q295 D299 N300 L305 | H293-M297 PolarHBondContact O-N 3.49Å; W294-M297 HydrophobicContact CD2-CE 4.09Å; W294-M297 HydrophobicContact CE3-CE 3.39Å; W294-M297 HydrophobicContact CH2-CE 4.08Å; W294-M297 HydrophobicContact CZ3-CE 3.41Å; W294-M297 VanDerWaalsContact CZ3-CE 3.41Å; W294-M297 WeakPolarHBondContact O-CB 3.42Å; W294-M297 PolarHBondContact O-N 2.86Å; Q295-M297 VanDerWaalsContact C-N 3.26Å; Q295-M297 PolarHBondContact O-N 2.83Å; M297-D299 VanDerWaalsContact C-N 3.32Å; M297-N300 CarbonylContact O-C 3.55Å; M297-N300 PolarHBondContact O-N 2.8Å; M297-L305 HydrophobicContact CB-CD1 4.22Å; M297-L305 VanDerWaalsContact N-CD1 3.35Å |
| 298 | M | 81.5 | Confident | 82.3 | Confident | 112 Ų | 112 | 92 Ų | 92 | 55% | 0.552 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -66.1 | -35.5 | 173.8 | -66.1 | -56.8 | -55.3 | 0 | 0 | 112.3 | W294 Q295 N300 | W294-M298 HydrophobicContact CZ2-CG 4.33Å; W294-M298 HydrophobicContact CZ2-SD 3.9Å; W294-M298 WeakPolarHBondContact O-CG 3.49Å; W294-M298 PolarHBondContact O-N 2.78Å; Q295-M298 WeakPolarHBondContact O-CB 3.48Å; Q295-M298 PolarHBondContact O-N 3.05Å; M298-N300 VanDerWaalsContact C-N 3.33Å |
| 299 | D | 87.2 | Confident | 82.1 | Confident | 102 Ų | 102 | 90.9 Ų | 90.9 | 55% | 0.545 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -76.1 | -21.5 | 178.8 | -62 | -24.1 | 0 | 0 | 0 | 112.5 | Q295 R296 M297 | Q295-D299 PolarHBondContact O-N 3.41Å; R296-D299 PolarHBondContact O-N 3.44Å; M297-D299 VanDerWaalsContact C-N 3.32Å |
| 300 | N | 83.5 | Confident | 82.1 | Confident | 79 Ų | 79 | 92.4 Ų | 92.4 | 42% | 0.422 | 47% | 0.473 | S | S | . | . | trans | -131.2 | 67.3 | -176.4 | -60.6 | -87.9 | 0 | 0 | 0 | 111.7 | R296 M297 M298 T302 A303 | R296-N300 WeakPolarHBondContact O-CB 3.49Å; R296-N300 PolarHBondContact O-N 3.28Å; R296-N300 PolarHBondContact O-ND2 3.25Å; M297-N300 CarbonylContact O-C 3.55Å; M297-N300 PolarHBondContact O-N 2.8Å; M298-N300 VanDerWaalsContact C-N 3.33Å; N300-T302 PolarHBondContact O-N 2.78Å; N300-A303 HydrophobicContact CB-CB 4.25Å; N300-A303 PolarHBondContact O-N 3.25Å | ||
| 301 | P | 72.2 | Confident | 82.2 | Confident | 113 Ų | 113 | 94 Ų | 94 | 73% | 0.734 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -14.8 | -165.5 | 24.6 | -35.2 | 0 | 0 | 0 | 115.7 | ||
| 302 | T | 77.6 | Confident | 82.1 | Confident | 139 Ų | 139 | 95 Ų | 95 | 85% | 0.853 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.3 | -9.2 | -177.4 | 55.4 | 0 | 0 | 0 | 0 | 113.6 | N300 | N300-T302 PolarHBondContact O-N 2.78Š|
| 303 | A | 76.8 | Confident | 81.6 | Confident | 46 Ų | 46 | 97.7 Ų | 97.7 | 38% | 0.38 | 51% | 0.512 | S | S | . | . | S | Bend | trans | -98.9 | 125.2 | -176 | 0 | 0 | 0 | 0 | 0 | 110.2 | N300 L305 | N300-A303 HydrophobicContact CB-CB 4.25Å; N300-A303 PolarHBondContact O-N 3.25Å; A303-L305 PolarHBondContact O-N 2.87Å |
| 304 | P | 74.7 | Confident | 80.4 | Confident | 119 Ų | 119 | 103.1 Ų | 103.1 | 77% | 0.773 | 54% | 0.535 | S | S | * | . | P | Polyproline II helix | trans | -63.8 | 122 | 170.6 | 27 | -32.2 | 0 | 0 | 0 | 109 | ||
| 305 | L | 78.8 | Confident | 78.8 | Confident | 63 Ų | 63 | 104.9 Ų | 104.9 | 33% | 0.33 | 55% | 0.553 | S | S | . | * | P | Polyproline II helix | trans | -103.4 | 129 | 175 | -68.1 | 175.6 | 0 | 0 | 0 | 109.9 | H293 R296 M297 A303 | H293-L305 PolarHBondContact NE2-O 2.97Å; R296-L305 HydrophobicContact CB-CD1 3.56Å; R296-L305 WeakPolarHBondContact O-CD1 3.34Å; M297-L305 HydrophobicContact CB-CD1 4.22Å; M297-L305 VanDerWaalsContact N-CD1 3.35Å; A303-L305 PolarHBondContact O-N 2.87Å |
| 306 | T | 83.1 | Confident | 76.8 | Confident | 140 Ų | 140 | 106.4 Ų | 106.4 | 86% | 0.859 | 57% | 0.571 | S | S | * | * | trans | -107.8 | 134.6 | 176.8 | 56.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 307 | M | 82.9 | Confident | 74.4 | Confident | 56 Ų | 56 | 109.3 Ų | 109.3 | 28% | 0.276 | 59% | 0.591 | S | S | . | * | trans | -154.7 | 139.7 | 176.9 | -169.7 | 178.7 | -53.2 | 0 | 0 | 110.9 | K289 H293 H309 | K289-M307 HydrophobicContact CB-SD 4.45Å; H293-M307 HydrophobicContact CB-CE 3.58Å; H293-M307 HydrophobicContact CB-SD 3.76Å; M307-H309 PolarHBondContact O-CD2 3.49Å; M307-H309 VanDerWaalsContact SD-CE1 3.59Å | ||
| 308 | W | 87.4 | Confident | 73.9 | Confident | 240 Ų | 240 | 110.9 Ų | 110.9 | 91% | 0.909 | 60% | 0.601 | S | S | * | * | trans | -80.2 | 129.7 | 169.9 | -67.4 | 101.2 | 0 | 0 | 0 | 111.1 | ||||
| 309 | H | 83.9 | Confident | 73.5 | Confident | 37 Ų | 37 | 110.8 Ų | 110.8 | 17% | 0.171 | 60% | 0.604 | C | S | . | * | trans | -117 | 146.4 | 171.4 | -63.6 | -76.6 | 0 | 0 | 0 | 109.4 | V280 E290 H293 M307 | V280-H309 HydrophobicContact CB-CB 4.27Å; V280-H309 HydrophobicContact CG2-CB 3.63Å; E290-H309 IonicContact OE1-ND1 2.64Å; H293-H309 AromaticContact CE1-NE2 3.84Å; H293-H309 AromaticContact CG-NE2 3.67Å; H293-H309 AromaticContact ND1-CE1 3.73Å; H293-H309 AromaticContact ND1-NE2 2.98Å; H293-H309 PolarHBondContact ND1-NE2 2.9Å; M307-H309 PolarHBondContact O-CD2 3.49Å; M307-H309 VanDerWaalsContact SD-CE1 3.59Å | ||
| 310 | K | 86.3 | Confident | 72.8 | Confident | 176 Ų | 176 | 111.3 Ų | 111.3 | 77% | 0.765 | 61% | 0.607 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 132.2 | 171.8 | -70.8 | -173 | 177.3 | -175.8 | 0 | 108.1 | L312 | K310-L312 PolarHBondContact O-N 2.83Š|
| 311 | L | 86 | Confident | 72.2 | Confident | 72 Ų | 72 | 113.2 Ų | 113.2 | 38% | 0.377 | 62% | 0.618 | S | S | . | * | P | Polyproline II helix | trans | -69.9 | 128.5 | 171.5 | -62.2 | -180 | 0 | 0 | 0 | 108.9 | V265 I277 | V265-L311 HydrophobicContact CB-CD1 3.88Å; V265-L311 HydrophobicContact CG2-CD1 3.83Å; V265-L311 HydrophobicContact CG2-CD2 3.86Å; I277-L311 HydrophobicContact CG2-CD1 4.19Å |
| 312 | L | 78.9 | Confident | 72.2 | Confident | 100 Ų | 100 | 113.3 Ų | 113.3 | 52% | 0.524 | 61% | 0.61 | S | S | . | * | B | Isolated β-bridge | trans | -83.5 | 134 | 169.7 | -59.3 | 177.7 | 0 | 0 | 0 | 108.3 | G278 H279 K310 | G278-L312 CarbonylContact C-O 3.53Å; G278-L312 WeakPolarHBondContact CA-O 3.44Å; H279-L312 PolarHBondContact N-O 2.82Å; H279-L312 PolarHBondContact ND1-O 2.71Å; H279-L312 PolarHBondContact O-N 3.21Å; K310-L312 PolarHBondContact O-N 2.83Å |
| 313 | A | 76 | Confident | 71.8 | Confident | 77 Ų | 77 | 111.5 Ų | 111.5 | 64% | 0.636 | 59% | 0.594 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 155.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | H279 S315 | H279-A313 PolarHBondContact CE1-O 3.18Å; A313-S315 PolarHBondContact O-N 3.23Å |
| 314 | K | 61.2 | Low | 71.4 | Confident | 144 Ų | 144 | 116.2 Ų | 116.2 | 63% | 0.626 | 61% | 0.609 | S | S | * | * | P | Polyproline II helix | trans | -52 | 126.5 | 171.4 | -170.2 | -178.3 | 178.1 | -173.9 | 0 | 107.7 | P316 | K314-P316 WeakPolarHBondContact O-CD 3.2Š|
| 315 | S | 47.6 | Very low | 71.2 | Confident | 76 Ų | 76 | 116 Ų | 116 | 53% | 0.531 | 60% | 0.597 | S | S | . | * | P | Polyproline II helix | trans | -57.6 | 121.8 | 170.1 | 46.4 | 0 | 0 | 0 | 0 | 107.3 | A313 Q317 | A313-S315 PolarHBondContact O-N 3.23Å; S315-Q317 PolarHBondContact O-N 3.39Å |
| 316 | P | 40.3 | Very low | 70.6 | Confident | 125 Ų | 125 | 120.4 Ų | 120.4 | 81% | 0.812 | 62% | 0.619 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 127.1 | 167.7 | 24.7 | -29.4 | 0 | 0 | 0 | 107.1 | K314 | K314-P316 WeakPolarHBondContact O-CD 3.2Š|
| 317 | Q | 33.1 | Very low | 69.4 | Low | 202 Ų | 202 | 118.6 Ų | 118.6 | 94% | 0.944 | 60% | 0.597 | S | S | * | * | trans | -66 | 0 | 164.4 | -85 | 175.9 | -44.8 | 0 | 0 | 109.5 | D91 S315 | D91-Q317 PolarHBondContact OD1-NE2 3.11Å; D91-Q317 PolarHBondContact OD2-NE2 3Å; S315-Q317 PolarHBondContact O-N 3.39Å |
Retrieved 317 of 317 residues in 512.9 ms
(Link to these results)