| 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 | 36.5 | Very low | 35.9 | Very low | 239 Ų | 239 | 144.2 Ų | 144.2 | 100% | 1.177 | 82% | 0.819 | S | S | * | * | 0 | 111.7 | 0 | -58.7 | 175.9 | -167.2 | 0 | 0 | 105.1 | |||||
| 2 | E | 33.8 | Very low | 36.5 | Very low | 180 Ų | 180 | 142.9 Ų | 142.9 | 84% | 0.841 | 81% | 0.806 | S | S | * | * | trans | -83.2 | 154.4 | -167.4 | -69.1 | 143.1 | 92.8 | 0 | 0 | 112.9 | ||||
| 3 | T | 35.7 | Very low | 37 | Very low | 121 Ų | 121 | 138.3 Ų | 138.3 | 74% | 0.742 | 79% | 0.788 | S | S | * | * | trans | -140.5 | 81.4 | 169.7 | -36.1 | 0 | 0 | 0 | 0 | 109 | H5 | T3-H5 PolarHBondContact O-N 3.3Š| ||
| 4 | T | 36.8 | Very low | 37.5 | Very low | 126 Ų | 126 | 135.2 Ų | 135.2 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | trans | -79 | 112.5 | -178.4 | 20.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 5 | H | 35.6 | Very low | 37.8 | Very low | 158 Ų | 158 | 128.9 Ų | 128.9 | 73% | 0.731 | 74% | 0.741 | S | S | * | * | trans | -87.1 | 110.2 | 170.9 | -81.8 | -90.2 | 0 | 0 | 0 | 111.2 | T3 F7 | T3-H5 PolarHBondContact O-N 3.3Å; H5-F7 HydrophobicContact CB-CE2 4.4Å; H5-F7 PolarHBondContact O-N 3.43Å | ||
| 6 | S | 32.8 | Very low | 38.3 | Very low | 123 Ų | 123 | 126.1 Ų | 126.1 | 86% | 0.86 | 73% | 0.727 | S | S | * | * | trans | -72.8 | 112.8 | 172 | -59.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 7 | F | 38.6 | Very low | 38.6 | Very low | 196 Ų | 196 | 124 Ų | 124 | 86% | 0.86 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -85 | 139.5 | 166.3 | -80.9 | -91.5 | 0 | 0 | 0 | 110.6 | H5 | H5-F7 HydrophobicContact CB-CE2 4.4Å; H5-F7 PolarHBondContact O-N 3.43Å |
| 8 | G | 33.2 | Very low | 38.6 | Very low | 70 Ų | 70 | 122.9 Ų | 122.9 | 72% | 0.722 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 164.6 | -169.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 9 | N | 35.5 | Very low | 38.4 | Very low | 155 Ų | 155 | 121.2 Ų | 121.2 | 83% | 0.829 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 132.8 | 178 | -65.3 | -12.8 | 0 | 0 | 0 | 111.8 | S11 | N9-S11 PolarHBondContact O-N 3.46Š|
| 10 | P | 42.4 | Very low | 38.3 | Very low | 105 Ų | 105 | 121.5 Ų | 121.5 | 68% | 0.682 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 121.3 | 163 | 30.4 | -31.4 | 0 | 0 | 0 | 109.8 | ||
| 11 | S | 34.1 | Very low | 38.1 | Very low | 113 Ų | 113 | 123.7 Ų | 123.7 | 79% | 0.79 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 125.4 | 179.9 | -61.5 | 0 | 0 | 0 | 0 | 112 | N9 S13 | N9-S11 PolarHBondContact O-N 3.46Å; S11-S13 PolarHBondContact O-N 3.44Å |
| 12 | I | 43.5 | Very low | 38.3 | Very low | 129 Ų | 129 | 120.3 Ų | 120.3 | 66% | 0.662 | 68% | 0.678 | S | S | * | * | trans | -75 | 106.1 | 167.6 | -59.2 | 174.7 | 0 | 0 | 0 | 108.4 | V14 | I12-V14 HydrophobicContact CG2-CG2 4.32Å; I12-V14 PolarHBondContact O-N 3.19Å | ||
| 13 | S | 42.8 | Very low | 38.5 | Very low | 83 Ų | 83 | 122.2 Ų | 122.2 | 58% | 0.58 | 68% | 0.683 | S | S | * | * | trans | -92.8 | 91.4 | 175.1 | 49.3 | 0 | 0 | 0 | 0 | 111.3 | S11 S15 | S11-S13 PolarHBondContact O-N 3.44Å; S13-S15 PolarHBondContact O-N 2.63Å | ||
| 14 | V | 43.6 | Very low | 38.4 | Very low | 95 Ų | 95 | 120.5 Ų | 120.5 | 58% | 0.576 | 68% | 0.681 | S | S | * | * | trans | -66.5 | 100.1 | 166.2 | -178 | 0 | 0 | 0 | 0 | 108 | I12 T16 | I12-V14 HydrophobicContact CG2-CG2 4.32Å; I12-V14 PolarHBondContact O-N 3.19Å; V14-T16 PolarHBondContact O-N 3Å | ||
| 15 | S | 41.6 | Very low | 38.4 | Very low | 41 Ų | 41 | 120.4 Ų | 120.4 | 29% | 0.287 | 68% | 0.683 | S | S | . | * | trans | -87.4 | 87.6 | -174.6 | -159.5 | 0 | 0 | 0 | 0 | 110.7 | S13 Q17 | S13-S15 PolarHBondContact O-N 2.63Å; S15-Q17 PolarHBondContact O-N 3.24Å; S15-Q17 WeakPolarHBondContact OG-CG 3.17Å; S15-Q17 PolarHBondContact OG-NE2 2.95Å | ||
| 16 | T | 45.6 | Very low | 38.5 | Very low | 84 Ų | 84 | 119.8 Ų | 119.8 | 52% | 0.515 | 69% | 0.69 | S | S | . | * | trans | -67.6 | 77.8 | 171.3 | 39.3 | 0 | 0 | 0 | 0 | 111.1 | V14 Q18 E529 | V14-T16 PolarHBondContact O-N 3Å; T16-Q18 PolarHBondContact O-N 3.36Å; T16-E529 WeakPolarHBondContact CB-OE1 3.44Å; T16-E529 HydrophobicContact CG2-CG 4.31Å; T16-E529 WeakPolarHBondContact CG2-OE2 3.48Å | ||
| 17 | Q | 44.4 | Very low | 38.4 | Very low | 90 Ų | 90 | 120.4 Ų | 120.4 | 42% | 0.421 | 69% | 0.689 | S | S | . | * | trans | -86.9 | 103.3 | 179.7 | -67 | -170.1 | 3.5 | 0 | 0 | 111.2 | S15 R532 | S15-Q17 PolarHBondContact O-N 3.24Å; S15-Q17 WeakPolarHBondContact OG-CG 3.17Å; S15-Q17 PolarHBondContact OG-NE2 2.95Å; Q17-R532 VanDerWaalsContact CD-NH1 3.33Å; Q17-R532 VanDerWaalsContact OE1-CZ 3.3Å | ||
| 18 | Q | 38.4 | Very low | 38.1 | Very low | 105 Ų | 105 | 114.9 Ų | 114.9 | 49% | 0.491 | 68% | 0.679 | S | S | . | * | trans | -64.5 | 143.2 | 159.5 | -68 | -177.7 | -20.5 | 0 | 0 | 110.1 | T16 | T16-Q18 PolarHBondContact O-N 3.36Š| ||
| 19 | P | 34.7 | Very low | 38.3 | Very low | 90 Ų | 90 | 117.9 Ų | 117.9 | 58% | 0.584 | 69% | 0.686 | S | S | * | * | trans | -59.5 | 154.2 | 171.5 | 26.4 | -34.3 | 0 | 0 | 0 | 110.8 | K21 | P19-K21 PolarHBondContact O-N 2.87Š| ||
| 20 | P | 35.6 | Very low | 38.1 | Very low | 126 Ų | 126 | 120.1 Ų | 120.1 | 82% | 0.818 | 69% | 0.688 | S | S | * | * | trans | -59.3 | 109.2 | -165.3 | 21.2 | -33.4 | 0 | 0 | 0 | 112.9 | K22 | P20-K22 PolarHBondContact O-N 2.98Š| ||
| 21 | K | 34.1 | Very low | 37.6 | Very low | 169 Ų | 169 | 121.2 Ų | 121.2 | 74% | 0.735 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 117.6 | 173.6 | -84.4 | 169.8 | 164.6 | 160.5 | 0 | 110 | P19 | P19-K21 PolarHBondContact O-N 2.87Š|
| 22 | K | 42.3 | Very low | 37.8 | Very low | 168 Ų | 168 | 125.9 Ų | 125.9 | 73% | 0.73 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 150.3 | 170.6 | -67.3 | 178.8 | 179.5 | 176.1 | 0 | 109.7 | P20 A24 | P20-K22 PolarHBondContact O-N 2.98Å; K22-A24 PolarHBondContact O-N 3.1Å |
| 23 | F | 37.5 | Very low | 37.2 | Very low | 219 Ų | 219 | 129.6 Ų | 129.6 | 96% | 0.961 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 134.9 | -178.3 | -79.4 | -102.9 | 0 | 0 | 0 | 112.6 | ||
| 24 | A | 34.1 | Very low | 36.8 | Very low | 85 Ų | 85 | 132.7 Ų | 132.7 | 70% | 0.702 | 72% | 0.718 | S | S | * | * | trans | -120.9 | 155.3 | 163.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | K22 | K22-A24 PolarHBondContact O-N 3.1Š| ||
| 25 | P | 36.8 | Very low | 36.3 | Very low | 125 Ų | 125 | 132 Ų | 132 | 81% | 0.812 | 72% | 0.716 | S | S | * | * | trans | -75.3 | 155.6 | -157 | 28.4 | -35.9 | 0 | 0 | 0 | 115.2 | ||||
| 26 | V | 37.3 | Very low | 35.6 | Very low | 145 Ų | 145 | 141 Ų | 141 | 88% | 0.879 | 75% | 0.745 | S | S | * | * | trans | -67.4 | 128.6 | 178.3 | 176 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 27 | V | 30.8 | Very low | 34.8 | Very low | 136 Ų | 136 | 145.9 Ų | 145.9 | 82% | 0.824 | 76% | 0.759 | S | S | * | * | trans | -134 | 141.2 | 162.7 | 179.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 28 | A | 32.9 | Very low | 34.3 | Very low | 80 Ų | 80 | 149.2 Ų | 149.2 | 66% | 0.661 | 78% | 0.775 | S | S | * | * | trans | -72.7 | 161 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 29 | P | 35.8 | Very low | 34.6 | Very low | 132 Ų | 132 | 149.7 Ų | 149.7 | 86% | 0.857 | 79% | 0.787 | S | S | * | * | trans | -76.4 | 155.7 | -167.3 | 31 | -36.7 | 0 | 0 | 0 | 114.4 | ||||
| 30 | K | 32.1 | Very low | 34.4 | Very low | 202 Ų | 202 | 149.3 Ų | 149.3 | 88% | 0.878 | 80% | 0.8 | S | S | * | * | trans | -108 | 154.6 | 170.9 | -81.2 | -174.5 | 175.7 | 179.9 | 0 | 112.2 | ||||
| 31 | P | 31.9 | Very low | 34.3 | Very low | 128 Ų | 128 | 146.9 Ų | 146.9 | 83% | 0.831 | 80% | 0.797 | S | S | * | * | trans | -89.9 | 168.9 | -165.6 | 34.7 | -34.7 | 0 | 0 | 0 | 114.7 | ||||
| 32 | K | 37.9 | Very low | 34.7 | Very low | 212 Ų | 212 | 148 Ų | 148 | 92% | 0.922 | 81% | 0.805 | S | S | * | * | trans | -82 | 109.7 | -178.9 | -59.3 | 173.7 | -177.9 | 176.5 | 0 | 112.3 | ||||
| 33 | Y | 31.5 | Very low | 34.3 | Very low | 207 Ų | 207 | 143.2 Ų | 143.2 | 81% | 0.812 | 80% | 0.803 | S | S | * | * | trans | -159 | 144 | 145.8 | -157.9 | -125.4 | 0 | 0 | 0 | 110.3 | P35 | Y33-P35 HydrophobicContact CD1-CB 3.92Å; Y33-P35 HydrophobicContact CD1-CG 4.08Å; Y33-P35 HydrophobicContact CE1-CB 3.73Å; Y33-P35 HydrophobicContact CE1-CG 4.39Å | ||
| 34 | N | 33 | Very low | 34.6 | Very low | 147 Ų | 147 | 140.6 Ų | 140.6 | 79% | 0.786 | 80% | 0.799 | S | S | * | * | trans | -132 | 90.1 | 176.6 | -173.9 | 22.7 | 0 | 0 | 0 | 110.4 | Y36 | N34-Y36 PolarHBondContact O-N 3.16Š| ||
| 35 | P | 33.8 | Very low | 34.7 | Very low | 81 Ų | 81 | 146.4 Ų | 146.4 | 53% | 0.526 | 81% | 0.809 | S | S | . | * | trans | -92.6 | 77.3 | -173.6 | 35.6 | -33.5 | 0 | 0 | 0 | 112.7 | Y33 | Y33-P35 HydrophobicContact CD1-CB 3.92Å; Y33-P35 HydrophobicContact CD1-CG 4.08Å; Y33-P35 HydrophobicContact CE1-CB 3.73Å; Y33-P35 HydrophobicContact CE1-CG 4.39Å | ||
| 36 | Y | 27.2 | Very low | 35.3 | Very low | 229 Ų | 229 | 148.3 Ų | 148.3 | 90% | 0.898 | 81% | 0.811 | S | S | * | * | trans | -158.2 | 119.2 | 147.3 | -92.3 | -61.7 | 0 | 0 | 0 | 110.4 | N34 | N34-Y36 PolarHBondContact O-N 3.16Š| ||
| 37 | K | 29.7 | Very low | 36.3 | Very low | 187 Ų | 187 | 146.8 Ų | 146.8 | 81% | 0.813 | 81% | 0.805 | S | S | * | * | trans | -146.5 | 136.9 | 171.7 | -152.5 | -166.6 | -179.1 | -175.7 | 0 | 109.3 | ||||
| 38 | Q | 32.3 | Very low | 37.3 | Very low | 161 Ų | 161 | 146 Ų | 146 | 75% | 0.752 | 80% | 0.802 | S | S | * | * | trans | 95.3 | 156.4 | 155.3 | -65 | -154.7 | -39.3 | 0 | 0 | 119 | ||||
| 39 | P | 45 | Very low | 38.5 | Very low | 114 Ų | 114 | 147.8 Ų | 147.8 | 74% | 0.74 | 81% | 0.807 | S | S | * | * | cis | -134.8 | 170.7 | -21.6 | 28.9 | -9.6 | 0 | 0 | 0 | 114.9 | ||||
| 40 | G | 31.9 | Very low | 39.6 | Very low | 83 Ų | 83 | 147 Ų | 147 | 86% | 0.856 | 80% | 0.802 | S | S | * | * | trans | 80.8 | 143.3 | 140.4 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 41 | G | 33.3 | Very low | 40.7 | Very low | 74 Ų | 74 | 142.9 Ų | 142.9 | 76% | 0.763 | 80% | 0.796 | S | S | * | * | trans | 148.3 | 95.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 42 | E | 41.2 | Very low | 41.5 | Very low | 194 Ų | 194 | 142.7 Ų | 142.7 | 91% | 0.907 | 80% | 0.795 | S | S | * | * | trans | -72.7 | 153.6 | 167.9 | 56.4 | -103.7 | 68.7 | 0 | 0 | 113 | ||||
| 43 | G | 35.3 | Very low | 41.6 | Very low | 67 Ų | 67 | 141 Ų | 141 | 69% | 0.691 | 80% | 0.795 | S | S | * | * | trans | 167.1 | 98.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | F45 | G43-F45 PolarHBondContact O-N 2.86Š| ||
| 44 | D | 43.6 | Very low | 41.9 | Very low | 163 Ų | 163 | 138.8 Ų | 138.8 | 87% | 0.872 | 80% | 0.797 | S | S | * | * | trans | -68.7 | 119.1 | 171.1 | -71.1 | -86.1 | 0 | 0 | 0 | 112 | ||||
| 45 | F | 36.4 | Very low | 41.8 | Very low | 207 Ų | 207 | 138.5 Ų | 138.5 | 91% | 0.908 | 80% | 0.795 | S | S | * | * | trans | -141.3 | 117.1 | 162.4 | -92.7 | -82.1 | 0 | 0 | 0 | 111 | G43 | G43-F45 PolarHBondContact O-N 2.86Š| ||
| 46 | L | 48.4 | Very low | 41.8 | Very low | 165 Ų | 165 | 139.1 Ų | 139.1 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 143.6 | 173.9 | -64.7 | 172.4 | 0 | 0 | 0 | 110.7 | ||
| 47 | P | 58.4 | Low | 42.1 | Very low | 114 Ų | 114 | 133.3 Ų | 133.3 | 74% | 0.74 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 148.2 | 171.1 | 31 | -34.4 | 0 | 0 | 0 | 111.4 | ||
| 48 | P | 52.8 | Low | 42.2 | Very low | 118 Ų | 118 | 129.3 Ų | 129.3 | 77% | 0.766 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 151.3 | 177.9 | 30.7 | -35.3 | 0 | 0 | 0 | 112.4 | ||
| 49 | P | 57.5 | Low | 42.3 | Very low | 118 Ų | 118 | 129.1 Ų | 129.1 | 77% | 0.766 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 155.5 | -179.7 | 32.4 | -36.1 | 0 | 0 | 0 | 113 | ||
| 50 | P | 59.1 | Low | 42.2 | Very low | 115 Ų | 115 | 130 Ų | 130 | 75% | 0.747 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -74 | 152.4 | 173.1 | 31.9 | -35.2 | 0 | 0 | 0 | 112.3 | ||
| 51 | P | 55.1 | Low | 42.1 | Very low | 117 Ų | 117 | 130.6 Ų | 130.6 | 76% | 0.76 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 157.3 | 170.9 | 31.6 | -35.1 | 0 | 0 | 0 | 111.9 | ||
| 52 | P | 47.7 | Very low | 42 | Very low | 123 Ų | 123 | 134.8 Ų | 134.8 | 80% | 0.799 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -76 | 158.8 | -175.9 | 32.2 | -36.4 | 0 | 0 | 0 | 113.4 | ||
| 53 | L | 40 | Very low | 41.6 | Very low | 176 Ų | 176 | 131 Ų | 131 | 92% | 0.921 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -91.5 | 136.9 | 163.5 | -66.6 | 167.4 | 0 | 0 | 0 | 109.4 | ||
| 54 | D | 37.5 | Very low | 41.6 | Very low | 161 Ų | 161 | 130.9 Ų | 130.9 | 86% | 0.861 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -100.7 | 138.9 | 161.2 | 60.8 | -68.7 | 0 | 0 | 0 | 111.4 | ||
| 55 | D | 31 | Very low | 41.1 | Very low | 141 Ų | 141 | 131 Ų | 131 | 75% | 0.754 | 79% | 0.794 | S | S | * | * | trans | -137.2 | 125.6 | 169.9 | 173.3 | -78.4 | 0 | 0 | 0 | 107.2 | ||||
| 56 | S | 34.1 | Very low | 41.4 | Very low | 95 Ų | 95 | 131.3 Ų | 131.3 | 66% | 0.664 | 80% | 0.796 | S | S | * | * | 175.1 | 122.4 | 120.4 | -109 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 57 | S | 33.1 | Very low | 41.2 | Very low | 107 Ų | 107 | 128.7 Ų | 128.7 | 75% | 0.748 | 79% | 0.788 | S | S | * | * | 50.3 | 103.7 | 118.5 | -52 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 58 | A | 32 | Very low | 40.6 | Very low | 103 Ų | 103 | 128.5 Ų | 128.5 | 85% | 0.851 | 79% | 0.787 | S | S | * | * | trans | -153.9 | 127.7 | 141.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 59 | L | 35.8 | Very low | 40.4 | Very low | 157 Ų | 157 | 128.6 Ų | 128.6 | 82% | 0.822 | 79% | 0.788 | S | S | * | * | trans | -113.5 | 157.2 | 160.7 | -74.5 | 175.4 | 0 | 0 | 0 | 108.7 | ||||
| 60 | P | 41.9 | Very low | 39.9 | Very low | 131 Ų | 131 | 128.6 Ų | 128.6 | 85% | 0.851 | 79% | 0.788 | S | S | * | * | -134.9 | 179.6 | 112.2 | 38 | -28.6 | 0 | 0 | 0 | 113.7 | |||||
| 61 | S | 31.1 | Very low | 39.1 | Very low | 96 Ų | 96 | 129.2 Ų | 129.2 | 67% | 0.671 | 79% | 0.792 | S | S | * | * | trans | -120.8 | -178.9 | -161.8 | -51.4 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 62 | I | 31.2 | Very low | 38.6 | Very low | 163 Ų | 163 | 132 Ų | 132 | 84% | 0.836 | 80% | 0.8 | S | S | * | * | trans | 71.1 | 134 | 169.3 | -22.3 | -176.7 | 0 | 0 | 0 | 111.9 | ||||
| 63 | S | 31.1 | Very low | 38.1 | Very low | 113 Ų | 113 | 133.5 Ų | 133.5 | 79% | 0.79 | 80% | 0.801 | S | S | * | * | cis | -145.1 | 161.5 | 26.8 | -44 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 64 | G | 36.3 | Very low | 37.8 | Very low | 65 Ų | 65 | 133.1 Ų | 133.1 | 67% | 0.67 | 79% | 0.794 | S | S | * | * | trans | -110.5 | 161.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 65 | N | 31.6 | Very low | 37.5 | Very low | 165 Ų | 165 | 134 Ų | 134 | 88% | 0.882 | 79% | 0.793 | S | S | * | * | trans | -170.4 | 138.2 | 148.7 | -104.1 | -10.5 | 0 | 0 | 0 | 111.5 | ||||
| 66 | F | 43.8 | Very low | 37.7 | Very low | 215 Ų | 215 | 131 Ų | 131 | 94% | 0.943 | 79% | 0.788 | S | S | * | * | trans | -105.7 | 126.5 | 168.5 | -105.6 | -86.6 | 0 | 0 | 0 | 109.6 | ||||
| 67 | P | 43.8 | Very low | 37.7 | Very low | 109 Ų | 109 | 136.3 Ų | 136.3 | 71% | 0.708 | 80% | 0.799 | S | S | * | * | trans | -114.2 | 176.5 | 161.3 | 16 | 6 | 0 | 0 | 0 | 111.9 | ||||
| 68 | P | 46.2 | Very low | 37.5 | Very low | 111 Ų | 111 | 140.5 Ų | 140.5 | 72% | 0.721 | 80% | 0.804 | S | S | * | * | trans | -111.3 | 174.2 | -140 | 23.6 | -5.2 | 0 | 0 | 0 | 116.1 | ||||
| 69 | P | 47.7 | Very low | 38.1 | Very low | 120 Ų | 120 | 142 Ų | 142 | 78% | 0.779 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 146.2 | 170.5 | 30.7 | -36.3 | 0 | 0 | 0 | 112.7 | ||
| 70 | P | 46.8 | Very low | 37.8 | Very low | 118 Ų | 118 | 143.9 Ų | 143.9 | 77% | 0.766 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 160.2 | 170.2 | 32.5 | -34.3 | 0 | 0 | 0 | 112.5 | ||
| 71 | P | 43.4 | Very low | 37.7 | Very low | 128 Ų | 128 | 141.5 Ų | 141.5 | 83% | 0.831 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -89.6 | 173.4 | -164.9 | 36.2 | -38 | 0 | 0 | 0 | 115.8 | ||
| 72 | L | 45.5 | Very low | 37.8 | Very low | 176 Ų | 176 | 144.9 Ų | 144.9 | 92% | 0.921 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -101.6 | 149.6 | 170.6 | -68.8 | 165.4 | 0 | 0 | 0 | 110.9 | ||
| 73 | D | 35.6 | Very low | 38.6 | Very low | 153 Ų | 153 | 142.6 Ų | 142.6 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | trans | -154 | 174.6 | 165.2 | -164.8 | -86.5 | 0 | 0 | 0 | 108.1 | ||||
| 74 | E | 34.1 | Very low | 38.9 | Very low | 169 Ų | 169 | 141.2 Ų | 141.2 | 79% | 0.79 | 82% | 0.816 | S | S | * | * | trans | -101.1 | 169.1 | -132 | -49.6 | -164.3 | 90.6 | 0 | 0 | 114.8 | ||||
| 75 | E | 31.4 | Very low | 39.4 | Very low | 180 Ų | 180 | 141.2 Ų | 141.2 | 84% | 0.841 | 82% | 0.816 | S | S | * | * | cis | -147.1 | 157.9 | 26.2 | -64.9 | -175.7 | 85.7 | 0 | 0 | 116 | ||||
| 76 | A | 36.2 | Very low | 40.7 | Very low | 78 Ų | 78 | 139 Ų | 139 | 65% | 0.645 | 80% | 0.799 | S | S | * | * | trans | 43.2 | 108.3 | 138.3 | 0 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 77 | F | 33 | Very low | 42 | Very low | 206 Ų | 206 | 132.6 Ų | 132.6 | 90% | 0.904 | 78% | 0.777 | S | S | * | * | 62.9 | 112.5 | 127.5 | -78.1 | -82.7 | 0 | 0 | 0 | 123.1 | |||||
| 78 | K | 30.1 | Very low | 42.8 | Very low | 194 Ų | 194 | 132.9 Ų | 132.9 | 84% | 0.843 | 77% | 0.772 | S | S | * | * | 140.6 | 110.4 | 104.8 | -165.1 | 175.4 | -175 | -178.7 | 0 | 115.5 | |||||
| 79 | V | 43 | Very low | 43.9 | Very low | 135 Ų | 135 | 132.6 Ų | 132.6 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | trans | 10.7 | 108.4 | 156.9 | -172.7 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 80 | Q | 30.1 | Very low | 44.8 | Very low | 197 Ų | 197 | 131.9 Ų | 131.9 | 92% | 0.921 | 75% | 0.747 | S | S | * | * | trans | -157.4 | 160.3 | 132.4 | -112.5 | 167.3 | 4.2 | 0 | 0 | 110.8 | ||||
| 81 | G | 40.3 | Very low | 45.8 | Very low | 80 Ų | 80 | 131.6 Ų | 131.6 | 83% | 0.825 | 73% | 0.731 | S | S | * | * | trans | -86.5 | 160.5 | -170.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 82 | N | 33.1 | Very low | 47.2 | Very low | 167 Ų | 167 | 132.5 Ų | 132.5 | 89% | 0.893 | 72% | 0.718 | S | S | * | * | trans | -110.6 | 143.8 | -179.4 | -148.6 | 28.3 | 0 | 0 | 0 | 111.4 | ||||
| 83 | P | 47.3 | Very low | 48.5 | Very low | 115 Ų | 115 | 127.9 Ų | 127.9 | 75% | 0.747 | 70% | 0.7 | S | S | * | * | trans | -97.5 | 157.2 | -165.2 | 37.4 | -34.3 | 0 | 0 | 0 | 114.7 | ||||
| 84 | G | 38.2 | Very low | 50.6 | Low | 84 Ų | 84 | 123.2 Ų | 123.2 | 87% | 0.866 | 68% | 0.679 | S | S | * | * | trans | -144.5 | 42.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | K86 | G84-K86 PolarHBondContact O-N 3.36Š| ||
| 85 | G | 45.9 | Very low | 52.8 | Low | 65 Ų | 65 | 119.9 Ų | 119.9 | 67% | 0.67 | 67% | 0.666 | S | S | * | * | trans | -85.4 | 103.7 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 86 | K | 58.4 | Low | 55.3 | Low | 120 Ų | 120 | 115.6 Ų | 115.6 | 52% | 0.522 | 65% | 0.65 | S | S | . | * | trans | -50.4 | 144.1 | 164.2 | 53.4 | 174.9 | 175.7 | 175.8 | 0 | 111.6 | G84 E90 R91 | G84-K86 PolarHBondContact O-N 3.36Å; K86-E90 WeakPolarHBondContact CB-OE2 3.24Å; K86-R91 HydrophobicContact CD-CG 4.11Å; K86-R91 HydrophobicContact CG-CG 4.21Å; K86-R91 PolarHBondContact O-NE 3.24Å; K86-R91 PolarHBondContact O-NH2 3.46Å | ||
| 87 | T | 71.1 | Confident | 57.3 | Low | 80 Ų | 80 | 114.8 Ų | 114.8 | 49% | 0.491 | 64% | 0.643 | S | S | . | * | trans | -68.5 | 168.4 | -165.5 | 64.6 | 0 | 0 | 0 | 0 | 112.7 | E90 R91 | T87-E90 PolarHBondContact N-OE2 2.94Å; T87-E90 WeakPolarHBondContact OG1-CB 3.14Å; T87-E90 PolarHBondContact OG1-N 3.07Å; T87-E90 PolarHBondContact OG1-OE2 3.43Å; T87-R91 PolarHBondContact O-N 3.49Å; T87-R91 PolarHBondContact O-NE 2.81Å | ||
| 88 | L | 61 | Low | 59.8 | Low | 115 Ų | 115 | 110.5 Ų | 110.5 | 60% | 0.602 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -71.9 | -44.4 | 178.4 | -82.8 | 169.5 | 0 | 0 | 0 | 111.3 | E90 R91 R92 | L88-E90 PolarHBondContact O-N 3.18Å; L88-R91 CarbonylContact O-C 3.58Å; L88-R91 PolarHBondContact O-N 3.01Å; L88-R91 VanDerWaalsContact O-N 3.15Å; L88-R92 WeakPolarHBondContact O-CG 3.21Å; L88-R92 PolarHBondContact O-N 3.24Å |
| 89 | E | 69.4 | Low | 62.5 | Low | 105 Ų | 105 | 105.7 Ų | 105.7 | 49% | 0.491 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -58.8 | -45.1 | 173.4 | -84.2 | 43 | -113.1 | 0 | 0 | 112.1 | R91 R92 S93 | E89-R91 VanDerWaalsContact C-N 3.26Å; E89-R91 PolarHBondContact O-N 2.71Å; E89-R92 WeakPolarHBondContact O-CA 3.22Å; E89-R92 WeakPolarHBondContact O-CB 3.33Å; E89-R92 PolarHBondContact O-N 3.24Å; E89-R92 WeakPolarHBondContact OE1-CD 3.19Å; E89-R92 IonicContact OE1-CZ 2.99Å; E89-R92 IonicContact OE1-NE 2.62Å; E89-R92 IonicContact OE1-NH1 2.95Å; E89-R92 PolarHBondContact OE1-NH1 3.11Å; E89-S93 PolarHBondContact O-N 2.95Å; E89-S93 PolarHBondContact O-OG 2.85Å |
| 90 | E | 67.4 | Low | 64.4 | Low | 104 Ų | 104 | 104.9 Ų | 104.9 | 49% | 0.486 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -61 | -33.5 | 175.3 | -177.5 | -172.5 | 172.1 | 0 | 0 | 112.6 | K86 T87 L88 S94 | K86-E90 WeakPolarHBondContact CB-OE2 3.24Å; T87-E90 PolarHBondContact N-OE2 2.94Å; T87-E90 WeakPolarHBondContact OG1-CB 3.14Å; T87-E90 PolarHBondContact OG1-N 3.07Å; T87-E90 PolarHBondContact OG1-OE2 3.43Å; L88-E90 PolarHBondContact O-N 3.18Å; E90-S94 WeakPolarHBondContact O-CB 3.29Å; E90-S94 PolarHBondContact O-N 2.91Å |
| 91 | R | 68.1 | Low | 67.1 | Low | 112 Ų | 112 | 98.9 Ų | 98.9 | 42% | 0.423 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -76.1 | -28.8 | 171.8 | -88.2 | -178.6 | -85.9 | -173.3 | -5 | 113.7 | K86 T87 L88 E89 L95 | K86-R91 HydrophobicContact CD-CG 4.11Å; K86-R91 HydrophobicContact CG-CG 4.21Å; K86-R91 PolarHBondContact O-NE 3.24Å; K86-R91 PolarHBondContact O-NH2 3.46Å; T87-R91 PolarHBondContact O-N 3.49Å; T87-R91 PolarHBondContact O-NE 2.81Å; L88-R91 CarbonylContact O-C 3.58Å; L88-R91 PolarHBondContact O-N 3.01Å; L88-R91 VanDerWaalsContact O-N 3.15Å; E89-R91 VanDerWaalsContact C-N 3.26Å; E89-R91 PolarHBondContact O-N 2.71Å; R91-L95 PolarHBondContact O-N 3.37Å |
| 92 | R | 71.4 | Confident | 69.1 | Low | 147 Ų | 147 | 100.3 Ų | 100.3 | 56% | 0.555 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -67.8 | -55.5 | 171.6 | -74.3 | 167.6 | 163.9 | 162.3 | -5.6 | 110.2 | L88 E89 S94 L95 D96 | L88-R92 WeakPolarHBondContact O-CG 3.21Å; L88-R92 PolarHBondContact O-N 3.24Å; E89-R92 WeakPolarHBondContact O-CA 3.22Å; E89-R92 WeakPolarHBondContact O-CB 3.33Å; E89-R92 PolarHBondContact O-N 3.24Å; E89-R92 WeakPolarHBondContact OE1-CD 3.19Å; E89-R92 IonicContact OE1-CZ 2.99Å; E89-R92 IonicContact OE1-NE 2.62Å; E89-R92 IonicContact OE1-NH1 2.95Å; E89-R92 PolarHBondContact OE1-NH1 3.11Å; R92-S94 PolarHBondContact O-N 3.03Å; R92-S94 VanDerWaalsContact O-N 3.14Å; R92-L95 WeakPolarHBondContact O-CA 3.38Å; R92-L95 PolarHBondContact O-N 2.79Å; R92-D96 VanDerWaalsContact O-CG 3.25Å; R92-D96 PolarHBondContact O-N 2.97Å |
| 93 | S | 73.8 | Confident | 71.6 | Confident | 79 Ų | 79 | 96.1 Ų | 96.1 | 55% | 0.552 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -59 | -30.3 | 178.3 | -55.3 | 0 | 0 | 0 | 0 | 113.7 | E89 A97 | E89-S93 PolarHBondContact O-N 2.95Å; E89-S93 PolarHBondContact O-OG 2.85Å; S93-A97 WeakPolarHBondContact O-CB 3.38Å; S93-A97 PolarHBondContact O-N 2.97Å |
| 94 | S | 79.1 | Confident | 73.2 | Confident | 55 Ų | 55 | 94 Ų | 94 | 39% | 0.385 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -68.9 | -35.6 | 171.9 | -170.9 | 0 | 0 | 0 | 0 | 113.2 | E90 R92 E98 | E90-S94 WeakPolarHBondContact O-CB 3.29Å; E90-S94 PolarHBondContact O-N 2.91Å; R92-S94 PolarHBondContact O-N 3.03Å; R92-S94 VanDerWaalsContact O-N 3.14Å; S94-E98 WeakPolarHBondContact O-CG 3.34Å; S94-E98 PolarHBondContact O-N 2.76Å |
| 95 | L | 81.1 | Confident | 75.2 | Confident | 99 Ų | 99 | 94.3 Ų | 94.3 | 52% | 0.518 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -78.7 | -40.7 | 177.3 | -79.2 | 166.6 | 0 | 0 | 0 | 111.6 | R91 R92 A97 E98 I99 | R91-L95 PolarHBondContact O-N 3.37Å; R92-L95 WeakPolarHBondContact O-CA 3.38Å; R92-L95 PolarHBondContact O-N 2.79Å; L95-A97 VanDerWaalsContact C-N 3.27Å; L95-A97 PolarHBondContact O-N 3.01Å; L95-E98 PolarHBondContact O-N 3.08Å; L95-E98 VanDerWaalsContact O-N 3.12Å; L95-I99 VanDerWaalsContact O-CG1 3.29Å; L95-I99 WeakPolarHBondContact O-CG1 3.2Å; L95-I99 PolarHBondContact O-N 3.07Å |
| 96 | D | 82.5 | Confident | 76.6 | Confident | 91 Ų | 91 | 96.3 Ų | 96.3 | 49% | 0.487 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.7 | -39.1 | 177.3 | -58.9 | -34.5 | 0 | 0 | 0 | 110.6 | R92 I99 D100 | R92-D96 VanDerWaalsContact O-CG 3.25Å; R92-D96 PolarHBondContact O-N 2.97Å; D96-I99 PolarHBondContact O-N 3.11Å; D96-D100 PolarHBondContact O-N 2.81Å |
| 97 | A | 79.8 | Confident | 77.4 | Confident | 61 Ų | 61 | 92.8 Ų | 92.8 | 50% | 0.504 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.6 | -34.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | S93 L95 S101 | S93-A97 WeakPolarHBondContact O-CB 3.38Å; S93-A97 PolarHBondContact O-N 2.97Å; L95-A97 VanDerWaalsContact C-N 3.27Å; L95-A97 PolarHBondContact O-N 3.01Å; A97-S101 WeakPolarHBondContact O-CB 3.28Å; A97-S101 PolarHBondContact O-N 3.46Å; A97-S101 VanDerWaalsContact O-N 3.1Å |
| 98 | E | 85.5 | Confident | 77.4 | Confident | 115 Ų | 115 | 94 Ų | 94 | 54% | 0.537 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -68.3 | -38.1 | 172.4 | -76.3 | 174.8 | -165.1 | 0 | 0 | 111.2 | S94 L95 S101 L102 | S94-E98 WeakPolarHBondContact O-CG 3.34Å; S94-E98 PolarHBondContact O-N 2.76Å; L95-E98 PolarHBondContact O-N 3.08Å; L95-E98 VanDerWaalsContact O-N 3.12Å; E98-S101 PolarHBondContact O-N 3.27Å; E98-L102 WeakPolarHBondContact O-CG 3.22Å; E98-L102 PolarHBondContact O-N 3.47Å |
| 99 | I | 85.3 | Confident | 78 | Confident | 94 Ų | 94 | 93.9 Ų | 93.9 | 48% | 0.482 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.1 | -47.3 | 176.6 | -68.8 | 163 | 0 | 0 | 0 | 111.3 | L95 D96 S101 L102 T103 | L95-I99 VanDerWaalsContact O-CG1 3.29Å; L95-I99 WeakPolarHBondContact O-CG1 3.2Å; L95-I99 PolarHBondContact O-N 3.07Å; D96-I99 PolarHBondContact O-N 3.11Å; I99-S101 VanDerWaalsContact C-N 3.32Å; I99-S101 PolarHBondContact O-N 2.9Å; I99-L102 PolarHBondContact O-N 3.25Å; I99-T103 WeakPolarHBondContact O-CB 3.38Å; I99-T103 PolarHBondContact O-N 2.85Å; I99-T103 PolarHBondContact O-OG1 3.39Å |
| 100 | D | 83.2 | Confident | 78.1 | Confident | 118 Ų | 118 | 96.8 Ų | 96.8 | 63% | 0.631 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61.1 | -41 | 175.8 | -89.2 | -5.6 | 0 | 0 | 0 | 111.3 | D96 L102 T103 S104 | D96-D100 PolarHBondContact O-N 2.81Å; D100-L102 PolarHBondContact O-N 2.85Å; D100-T103 PolarHBondContact O-N 3.49Å; D100-S104 PolarHBondContact O-N 2.79Å |
| 101 | S | 86.8 | Confident | 77.6 | Confident | 71 Ų | 71 | 97.1 Ų | 97.1 | 50% | 0.497 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.4 | -39.6 | 177.1 | -172.2 | 0 | 0 | 0 | 0 | 112.4 | A97 E98 I99 I105 | A97-S101 WeakPolarHBondContact O-CB 3.28Å; A97-S101 PolarHBondContact O-N 3.46Å; A97-S101 VanDerWaalsContact O-N 3.1Å; E98-S101 PolarHBondContact O-N 3.27Å; I99-S101 VanDerWaalsContact C-N 3.32Å; I99-S101 PolarHBondContact O-N 2.9Å; S101-I105 WeakPolarHBondContact O-CD1 3.4Å; S101-I105 WeakPolarHBondContact O-CG1 3.46Å; S101-I105 PolarHBondContact O-N 2.67Å |
| 102 | L | 82.3 | Confident | 77 | Confident | 110 Ų | 110 | 95.7 Ų | 95.7 | 58% | 0.576 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -70.9 | -36.6 | 175.6 | -70.8 | 169.9 | 0 | 0 | 0 | 111.6 | E98 I99 D100 I105 L106 | E98-L102 WeakPolarHBondContact O-CG 3.22Å; E98-L102 PolarHBondContact O-N 3.47Å; I99-L102 PolarHBondContact O-N 3.25Å; D100-L102 PolarHBondContact O-N 2.85Å; L102-I105 PolarHBondContact O-N 2.87Å; L102-L106 WeakPolarHBondContact O-CG 3.09Å; L102-L106 PolarHBondContact O-N 2.94Å |
| 103 | T | 86.1 | Confident | 75.8 | Confident | 79 Ų | 79 | 93 Ų | 93 | 49% | 0.485 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.9 | -39.9 | 177.5 | -57.9 | 0 | 0 | 0 | 0 | 111.5 | I99 D100 L106 A107 | I99-T103 WeakPolarHBondContact O-CB 3.38Å; I99-T103 PolarHBondContact O-N 2.85Å; I99-T103 PolarHBondContact O-OG1 3.39Å; D100-T103 PolarHBondContact O-N 3.49Å; T103-L106 PolarHBondContact O-N 3.05Å; T103-A107 PolarHBondContact O-N 3.05Å |
| 104 | S | 80.6 | Confident | 74.6 | Confident | 70 Ų | 70 | 94.7 Ų | 94.7 | 49% | 0.49 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -62.6 | -41.9 | 174.1 | -166.1 | 0 | 0 | 0 | 0 | 112.3 | D100 L106 A107 D108 | D100-S104 PolarHBondContact O-N 2.79Å; S104-L106 VanDerWaalsContact C-N 3.32Å; S104-L106 PolarHBondContact O-N 2.96Å; S104-A107 PolarHBondContact O-N 3.23Å; S104-D108 PolarHBondContact O-N 3.49Å |
| 105 | I | 79.8 | Confident | 72.7 | Confident | 90 Ų | 90 | 102.4 Ų | 102.4 | 46% | 0.462 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -65.3 | -36.3 | 178.8 | -67.7 | 165 | 0 | 0 | 0 | 111.2 | S101 L102 L109 | S101-I105 WeakPolarHBondContact O-CD1 3.4Å; S101-I105 WeakPolarHBondContact O-CG1 3.46Å; S101-I105 PolarHBondContact O-N 2.67Å; L102-I105 PolarHBondContact O-N 2.87Å; I105-L109 HydrophobicContact CG2-CD1 4.23Å; I105-L109 WeakPolarHBondContact O-CG 3.43Å; I105-L109 PolarHBondContact O-N 2.84Å; I105-L109 VanDerWaalsContact O-N 3.15Å |
| 106 | L | 76.1 | Confident | 70.8 | Confident | 108 Ų | 108 | 107.1 Ų | 107.1 | 57% | 0.565 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -67.8 | -40 | 173.9 | -70.7 | 170.1 | 0 | 0 | 0 | 112 | L102 T103 S104 D108 L109 E110 | L102-L106 WeakPolarHBondContact O-CG 3.09Å; L102-L106 PolarHBondContact O-N 2.94Å; T103-L106 PolarHBondContact O-N 3.05Å; S104-L106 VanDerWaalsContact C-N 3.32Å; S104-L106 PolarHBondContact O-N 2.96Å; L106-D108 PolarHBondContact O-N 3.18Å; L106-L109 PolarHBondContact O-N 3.41Å; L106-E110 PolarHBondContact O-N 2.99Å |
| 107 | A | 74.3 | Confident | 68.6 | Low | 46 Ų | 46 | 108.9 Ų | 108.9 | 38% | 0.38 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -62.8 | -40.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | T103 S104 L109 E110 C111 | T103-A107 PolarHBondContact O-N 3.05Å; S104-A107 PolarHBondContact O-N 3.23Å; A107-L109 VanDerWaalsContact C-N 3.34Å; A107-E110 PolarHBondContact O-N 3.39Å; A107-C111 WeakPolarHBondContact O-CB 3.19Å; A107-C111 PolarHBondContact O-N 2.83Å; A107-C111 PolarHBondContact O-SG 2.05Å |
| 108 | D | 72.8 | Confident | 66.6 | Low | 106 Ų | 106 | 116.8 Ų | 116.8 | 57% | 0.567 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -65.8 | -34.9 | 174.7 | -73.9 | -31 | 0 | 0 | 0 | 112.5 | S104 L106 C111 S112 | S104-D108 PolarHBondContact O-N 3.49Å; L106-D108 PolarHBondContact O-N 3.18Å; D108-C111 PolarHBondContact O-N 3.27Å; D108-S112 PolarHBondContact O-N 3.16Å; D108-S112 PolarHBondContact O-OG 3.28Å |
| 109 | L | 73 | Confident | 64.7 | Low | 112 Ų | 112 | 116.9 Ų | 116.9 | 59% | 0.586 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -69.1 | -38.9 | 173.5 | -79 | 163.7 | 0 | 0 | 0 | 112.6 | I105 L106 A107 S112 | I105-L109 HydrophobicContact CG2-CD1 4.23Å; I105-L109 WeakPolarHBondContact O-CG 3.43Å; I105-L109 PolarHBondContact O-N 2.84Å; I105-L109 VanDerWaalsContact O-N 3.15Å; L106-L109 PolarHBondContact O-N 3.41Å; A107-L109 VanDerWaalsContact C-N 3.34Å; L109-S112 PolarHBondContact O-N 2.84Å; L109-S112 PolarHBondContact O-OG 3.43Å |
| 110 | E | 70.4 | Confident | 62.6 | Low | 165 Ų | 165 | 117.6 Ų | 117.6 | 77% | 0.771 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -68.1 | -35 | 173.1 | -70.5 | -167.2 | 150 | 0 | 0 | 112.2 | L106 A107 S112 | L106-E110 PolarHBondContact O-N 2.99Å; A107-E110 PolarHBondContact O-N 3.39Å; E110-S112 PolarHBondContact O-N 2.97Å |
| 111 | C | 58.9 | Low | 60.2 | Low | 112 Ų | 112 | 120.4 Ų | 120.4 | 76% | 0.757 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -70.7 | -13.7 | 178 | -71.3 | 0 | 0 | 0 | 0 | 114.5 | A107 D108 | A107-C111 WeakPolarHBondContact O-CB 3.19Å; A107-C111 PolarHBondContact O-N 2.83Å; A107-C111 PolarHBondContact O-SG 2.05Å; D108-C111 PolarHBondContact O-N 3.27Å |
| 112 | S | 55.4 | Low | 57.4 | Low | 82 Ų | 82 | 123.1 Ų | 123.1 | 57% | 0.573 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.6 | 5.6 | -174.5 | 46.5 | 0 | 0 | 0 | 0 | 115.1 | D108 L109 E110 P114 | D108-S112 PolarHBondContact O-N 3.16Å; D108-S112 PolarHBondContact O-OG 3.28Å; L109-S112 PolarHBondContact O-N 2.84Å; L109-S112 PolarHBondContact O-OG 3.43Å; E110-S112 PolarHBondContact O-N 2.97Å; S112-P114 WeakPolarHBondContact O-CD 3.24Å |
| 113 | S | 45.1 | Very low | 55 | Low | 89 Ų | 89 | 123.2 Ų | 123.2 | 62% | 0.622 | 68% | 0.684 | S | S | * | * | trans | -81 | 118.6 | 177.3 | -172 | 0 | 0 | 0 | 0 | 113.2 | Y115 | S113-Y115 PolarHBondContact O-N 3.36Å; S113-Y115 VanDerWaalsContact O-N 3.17Å | ||
| 114 | P | 48.3 | Very low | 52.3 | Low | 116 Ų | 116 | 126.5 Ų | 126.5 | 75% | 0.753 | 71% | 0.705 | S | S | * | * | trans | -91.7 | 39.6 | -163.1 | 37.5 | -38.9 | 0 | 0 | 0 | 115.8 | S112 | S112-P114 WeakPolarHBondContact O-CD 3.24Š| ||
| 115 | Y | 40.1 | Very low | 49.8 | Very low | 216 Ų | 216 | 126.1 Ų | 126.1 | 85% | 0.847 | 71% | 0.712 | S | S | * | * | trans | -141.1 | 116.6 | 174.6 | -93.4 | -80.9 | 0 | 0 | 0 | 113.9 | S113 | S113-Y115 PolarHBondContact O-N 3.36Å; S113-Y115 VanDerWaalsContact O-N 3.17Å | ||
| 116 | K | 39.8 | Very low | 47.3 | Very low | 199 Ų | 199 | 127 Ų | 127 | 87% | 0.865 | 73% | 0.726 | S | S | * | * | trans | -153.5 | 120.4 | 168.3 | -160.4 | 165.9 | -171.3 | 167.8 | 0 | 112.8 | ||||
| 117 | P | 37.9 | Very low | 45.1 | Very low | 127 Ų | 127 | 128.3 Ų | 128.3 | 83% | 0.825 | 74% | 0.739 | S | S | * | * | trans | -73.4 | 162.2 | 171.9 | -17.4 | 32.2 | 0 | 0 | 0 | 113.4 | ||||
| 118 | R | 37 | Very low | 42.8 | Very low | 228 Ų | 228 | 130.9 Ų | 130.9 | 86% | 0.86 | 76% | 0.76 | S | S | * | * | trans | -128.5 | 128.5 | -176.5 | 177 | -176 | -149.7 | -134.8 | 6.7 | 110.4 | ||||
| 119 | P | 45.3 | Very low | 40.7 | Very low | 117 Ų | 117 | 131.2 Ų | 131.2 | 76% | 0.76 | 77% | 0.77 | S | S | * | * | -149.5 | -172.3 | 119.2 | 39.6 | -21.4 | 0 | 0 | 0 | 112.5 | |||||
| 120 | P | 41.9 | Very low | 39.6 | Very low | 108 Ų | 108 | 131.3 Ų | 131.3 | 70% | 0.701 | 78% | 0.778 | S | S | * | * | -128.9 | 170.1 | -61.8 | 39 | -25.3 | 0 | 0 | 0 | 114 | |||||
| 121 | Q | 33 | Very low | 38.2 | Very low | 178 Ų | 178 | 129 Ų | 129 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | trans | 2.4 | 130.4 | 157.2 | -62.6 | 172 | -22.3 | 0 | 0 | 120.4 | ||||
| 122 | S | 28.2 | Very low | 37.2 | Very low | 128 Ų | 128 | 129 Ų | 129 | 90% | 0.895 | 77% | 0.773 | S | S | * | * | -157.5 | 146 | 119.7 | 17.6 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 123 | S | 31.4 | Very low | 37.2 | Very low | 111 Ų | 111 | 130.7 Ų | 130.7 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | trans | -139.1 | 111.2 | -172.9 | 58.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 124 | T | 28.4 | Very low | 36.8 | Very low | 148 Ų | 148 | 131.8 Ų | 131.8 | 91% | 0.908 | 79% | 0.788 | S | S | * | * | trans | -158.9 | 131.3 | 158.5 | 21.1 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 125 | G | 29.1 | Very low | 36.6 | Very low | 62 Ų | 62 | 132.2 Ų | 132.2 | 64% | 0.639 | 79% | 0.791 | S | S | * | * | 119.6 | 88.6 | 68.9 | 0 | 0 | 0 | 0 | 0 | 106.2 | |||||
| 126 | S | 27.4 | Very low | 36.3 | Very low | 109 Ų | 109 | 128.3 Ų | 128.3 | 76% | 0.762 | 79% | 0.79 | S | S | * | * | 61.8 | 82.2 | 99.3 | -57.5 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 127 | T | 30.8 | Very low | 36.4 | Very low | 136 Ų | 136 | 125.4 Ų | 125.4 | 83% | 0.834 | 79% | 0.789 | S | S | * | * | 62.4 | 97 | 95.5 | 62.7 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 128 | A | 25.3 | Very low | 36.1 | Very low | 100 Ų | 100 | 122.4 Ų | 122.4 | 83% | 0.826 | 78% | 0.781 | S | S | * | * | trans | -156.4 | 155.6 | 149.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 129 | S | 27.3 | Very low | 35.8 | Very low | 112 Ų | 112 | 120.4 Ų | 120.4 | 78% | 0.783 | 78% | 0.781 | S | S | * | * | cis | 172.4 | 149.9 | -37.8 | -96.7 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 130 | P | 50.6 | Low | 35.2 | Very low | 115 Ų | 115 | 123.7 Ų | 123.7 | 75% | 0.747 | 78% | 0.783 | S | S | * | * | trans | -93.4 | -179.1 | -168.4 | 38.9 | -37.4 | 0 | 0 | 0 | 113.3 | ||||
| 131 | P | 40.4 | Very low | 34.6 | Very low | 116 Ų | 116 | 129 Ų | 129 | 75% | 0.753 | 79% | 0.789 | S | S | * | * | -140 | -171.1 | 103.7 | 39.8 | -27.8 | 0 | 0 | 0 | 114.5 | |||||
| 132 | V | 38.1 | Very low | 34.3 | Very low | 112 Ų | 112 | 128.4 Ų | 128.4 | 68% | 0.679 | 79% | 0.788 | S | S | * | * | trans | 75.7 | 98 | -175.6 | -161.1 | 0 | 0 | 0 | 0 | 112.9 | T134 | V132-T134 HydrophobicContact CB-CG2 4.45Å; V132-T134 HydrophobicContact CG1-CG2 4.23Å; V132-T134 HydrophobicContact CG2-CG2 4.04Å | ||
| 133 | S | 55.2 | Low | 34.4 | Very low | 118 Ų | 118 | 128.3 Ų | 128.3 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | S | Bend | -78.2 | 114 | 53.6 | -50.5 | 0 | 0 | 0 | 0 | 115.2 | |||
| 134 | T | 36.7 | Very low | 34.6 | Very low | 111 Ų | 111 | 131 Ų | 131 | 68% | 0.681 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -80.5 | 128.8 | 173.3 | 40.8 | 0 | 0 | 0 | 0 | 109.8 | V132 | V132-T134 HydrophobicContact CB-CG2 4.45Å; V132-T134 HydrophobicContact CG1-CG2 4.23Å; V132-T134 HydrophobicContact CG2-CG2 4.04Å |
| 135 | P | 45.1 | Very low | 35.1 | Very low | 125 Ų | 125 | 128.2 Ų | 128.2 | 81% | 0.812 | 77% | 0.77 | S | S | * | * | cis | -119.3 | -169.5 | 11.8 | 40.2 | -25.7 | 0 | 0 | 0 | 115.2 | ||||
| 136 | V | 33.8 | Very low | 35 | Very low | 135 Ų | 135 | 132.6 Ų | 132.6 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | trans | -98 | 160 | -169.9 | 169.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 137 | T | 41.7 | Very low | 35.1 | Very low | 138 Ų | 138 | 136 Ų | 136 | 85% | 0.847 | 78% | 0.783 | S | S | * | * | trans | 126.1 | 134.3 | 152.3 | -52 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 138 | G | 30.5 | Very low | 36.1 | Very low | 64 Ų | 64 | 134.9 Ų | 134.9 | 66% | 0.66 | 78% | 0.778 | S | S | * | * | cis | 165.8 | 122.1 | -10.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 139 | H | 32.6 | Very low | 37 | Very low | 186 Ų | 186 | 135.8 Ų | 135.8 | 86% | 0.861 | 78% | 0.776 | S | S | * | * | trans | 39.1 | 113.5 | 145.6 | -100.4 | 85.3 | 0 | 0 | 0 | 121.8 | ||||
| 140 | K | 31.5 | Very low | 37.3 | Very low | 185 Ų | 185 | 137.9 Ų | 137.9 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | 169.7 | 146.1 | 106.4 | -97 | 165.2 | -178.4 | 169.8 | 0 | 115.6 | |||||
| 141 | R | 30 | Very low | 36.3 | Very low | 221 Ų | 221 | 139.7 Ų | 139.7 | 83% | 0.834 | 79% | 0.786 | S | S | * | * | trans | 48.8 | 126.2 | 152.8 | -70.7 | -177.4 | 171.2 | 177.7 | -4.9 | 118.8 | ||||
| 142 | M | 26.7 | Very low | 35.7 | Very low | 165 Ų | 165 | 138.1 Ų | 138.1 | 81% | 0.813 | 78% | 0.784 | S | S | * | * | cis | 67.1 | 101.1 | 47.2 | -166.5 | -162.3 | 95.2 | 0 | 0 | 114.4 | ||||
| 143 | V | 28.9 | Very low | 35.3 | Very low | 126 Ų | 126 | 138.4 Ų | 138.4 | 76% | 0.764 | 79% | 0.786 | S | S | * | * | trans | -166.1 | 142 | 149.2 | 131.6 | 0 | 0 | 0 | 0 | 109.1 | P145 | V143-P145 HydrophobicContact CG1-CG 4.38Š| ||
| 144 | I | 37.4 | Very low | 34.1 | Very low | 166 Ų | 166 | 142.1 Ų | 142.1 | 85% | 0.851 | 79% | 0.787 | S | S | * | * | trans | -107 | 134.2 | 167.1 | -62.3 | 167.9 | 0 | 0 | 0 | 106.9 | ||||
| 145 | P | 38.7 | Very low | 33.7 | Very low | 90 Ų | 90 | 145.6 Ų | 145.6 | 58% | 0.584 | 79% | 0.793 | S | S | * | * | trans | -147.5 | 141.9 | 135.6 | 31.6 | -12.5 | 0 | 0 | 0 | 115.8 | V143 | V143-P145 HydrophobicContact CG1-CG 4.38Š| ||
| 146 | N | 26.6 | Very low | 32.8 | Very low | 154 Ų | 154 | 144 Ų | 144 | 82% | 0.824 | 78% | 0.784 | S | S | * | * | trans | 68.5 | 129.3 | 135.5 | -62.1 | -5 | 0 | 0 | 0 | 122.3 | ||||
| 147 | Q | 29.5 | Very low | 32.7 | Very low | 180 Ų | 180 | 143.4 Ų | 143.4 | 84% | 0.841 | 78% | 0.781 | S | S | * | * | trans | -72.9 | 172.6 | 141.6 | -43.5 | 177.8 | 34.4 | 0 | 0 | 109.3 | ||||
| 148 | P | 52.1 | Low | 32.1 | Very low | 114 Ų | 114 | 144.9 Ų | 144.9 | 74% | 0.74 | 78% | 0.783 | S | S | * | * | cis | -116 | -132 | -7.2 | 29.7 | -4.4 | 0 | 0 | 0 | 106.8 | ||||
| 149 | P | 44.7 | Very low | 32.2 | Very low | 118 Ų | 118 | 150.7 Ų | 150.7 | 77% | 0.766 | 79% | 0.79 | S | S | * | * | cis | -135.5 | -171.6 | -12 | 43.7 | -24.3 | 0 | 0 | 0 | 116.2 | ||||
| 150 | L | 32 | Very low | 32.4 | Very low | 156 Ų | 156 | 147.1 Ų | 147.1 | 82% | 0.817 | 78% | 0.783 | S | S | * | * | trans | -59.8 | 147 | 169.2 | -54.8 | 164.8 | 0 | 0 | 0 | 113.9 | ||||
| 151 | T | 29.9 | Very low | 32.5 | Very low | 153 Ų | 153 | 146.6 Ų | 146.6 | 94% | 0.939 | 78% | 0.784 | S | S | * | * | -171.7 | 166.5 | 120.8 | 18.2 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 152 | A | 28.1 | Very low | 32.5 | Very low | 84 Ų | 84 | 142.2 Ų | 142.2 | 69% | 0.694 | 78% | 0.784 | S | S | * | * | trans | -90.6 | 171.1 | -166.3 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 153 | T | 29.9 | Very low | 32.7 | Very low | 118 Ų | 118 | 138.1 Ų | 138.1 | 72% | 0.724 | 78% | 0.776 | S | S | * | * | -176 | 151.8 | 78.5 | 35.2 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 154 | K | 30.3 | Very low | 32.9 | Very low | 196 Ų | 196 | 137.9 Ų | 137.9 | 85% | 0.852 | 78% | 0.778 | S | S | * | * | trans | 70.6 | 145.2 | 154.2 | -74.1 | 164.2 | -177.1 | 171.9 | 0 | 117.2 | ||||
| 155 | K | 27.3 | Very low | 32.5 | Very low | 184 Ų | 184 | 139.5 Ų | 139.5 | 80% | 0.8 | 78% | 0.781 | S | S | * | * | cis | -163.1 | 152.9 | -4.2 | 167.6 | -177.9 | 176 | -168.7 | 0 | 110.8 | ||||
| 156 | S | 26.7 | Very low | 32.1 | Very low | 91 Ų | 91 | 140 Ų | 140 | 64% | 0.636 | 79% | 0.793 | S | S | * | * | trans | 77.2 | 125.2 | 163.7 | -88.4 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 157 | T | 31.1 | Very low | 32.4 | Very low | 123 Ų | 123 | 135.7 Ų | 135.7 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | 90.7 | 114.8 | 72.3 | -60.1 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 158 | L | 30 | Very low | 32.7 | Very low | 168 Ų | 168 | 133.3 Ų | 133.3 | 88% | 0.88 | 79% | 0.785 | S | S | * | * | cis | -145.3 | -179.7 | 31 | -118.9 | 157.7 | 0 | 0 | 0 | 114.5 | ||||
| 159 | K | 32.5 | Very low | 31.8 | Very low | 187 Ų | 187 | 135.2 Ų | 135.2 | 81% | 0.813 | 79% | 0.788 | S | S | * | * | trans | -93.6 | 177.2 | 179.7 | -101.6 | -175.2 | 175.9 | -176.2 | 0 | 112.1 | ||||
| 160 | P | 35.8 | Very low | 31.2 | Very low | 111 Ų | 111 | 135.3 Ų | 135.3 | 72% | 0.721 | 79% | 0.788 | S | S | * | * | cis | -135.5 | 167.3 | -25.4 | 36.5 | -19.5 | 0 | 0 | 0 | 114.9 | ||||
| 161 | Q | 34 | Very low | 31.4 | Very low | 173 Ų | 173 | 134.6 Ų | 134.6 | 81% | 0.808 | 79% | 0.79 | S | S | * | * | trans | -96.7 | 164.5 | 152.2 | -93.2 | -170 | -34.6 | 0 | 0 | 110.8 | ||||
| 162 | P | 30.9 | Very low | 31.6 | Very low | 129 Ų | 129 | 131.4 Ų | 131.4 | 84% | 0.838 | 78% | 0.779 | S | S | * | * | -121.6 | 145.4 | 125.6 | 1.4 | 19.1 | 0 | 0 | 0 | 112.9 | |||||
| 163 | A | 31 | Very low | 32 | Very low | 79 Ų | 79 | 133.1 Ų | 133.1 | 65% | 0.653 | 78% | 0.783 | S | S | * | * | trans | -123.2 | 178.5 | 161.1 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 164 | P | 31.8 | Very low | 32.3 | Very low | 122 Ų | 122 | 135.5 Ų | 135.5 | 79% | 0.792 | 79% | 0.79 | S | S | * | * | cis | -119.3 | 167.5 | -13.1 | 38.8 | -26.2 | 0 | 0 | 0 | 112.4 | ||||
| 165 | Q | 29.7 | Very low | 32.3 | Very low | 199 Ų | 199 | 129.3 Ų | 129.3 | 93% | 0.93 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -99.9 | 124.7 | 159.7 | -75.4 | -172.2 | -12.1 | 0 | 0 | 109.7 | ||
| 166 | A | 30.2 | Very low | 32.4 | Very low | 101 Ų | 101 | 127.2 Ų | 127.2 | 84% | 0.835 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -78 | 141.9 | 170 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||
| 167 | G | 32.9 | Very low | 32.6 | Very low | 64 Ų | 64 | 131.2 Ų | 131.2 | 66% | 0.66 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 156.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 168 | P | 35.3 | Very low | 32.6 | Very low | 129 Ų | 129 | 134.4 Ų | 134.4 | 84% | 0.838 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 139.3 | 179.5 | 27.4 | -34.5 | 0 | 0 | 0 | 112 | ||
| 169 | I | 33.1 | Very low | 32.6 | Very low | 155 Ų | 155 | 132.1 Ų | 132.1 | 80% | 0.795 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 127.1 | 175.6 | -58.9 | 171.9 | 0 | 0 | 0 | 108.8 | V171 | I169-V171 PolarHBondContact O-N 2.92Š|
| 170 | P | 33.5 | Very low | 32.8 | Very low | 120 Ų | 120 | 131.6 Ų | 131.6 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 121.3 | 175.4 | -21.1 | 33.5 | 0 | 0 | 0 | 111.8 | A172 | P170-A172 PolarHBondContact O-N 2.82Š|
| 171 | V | 35.2 | Very low | 32.7 | Very low | 140 Ų | 140 | 131.8 Ų | 131.8 | 85% | 0.848 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 119.7 | 167.8 | 179 | 0 | 0 | 0 | 0 | 108.3 | I169 P173 | I169-V171 PolarHBondContact O-N 2.92Å; V171-P173 WeakPolarHBondContact O-CD 3.41Å |
| 172 | A | 33.6 | Very low | 32.8 | Very low | 86 Ų | 86 | 131.6 Ų | 131.6 | 71% | 0.711 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -73 | 125 | 179 | 0 | 0 | 0 | 0 | 0 | 111.2 | P170 | P170-A172 PolarHBondContact O-N 2.82Š|
| 173 | P | 36.7 | Very low | 32.9 | Very low | 121 Ų | 121 | 131.8 Ų | 131.8 | 79% | 0.786 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 134.5 | 168.2 | -17.8 | 32 | 0 | 0 | 0 | 110.4 | V171 G175 | V171-P173 WeakPolarHBondContact O-CD 3.41Å; P173-G175 PolarHBondContact O-N 3.37Å |
| 174 | I | 37.2 | Very low | 33.1 | Very low | 168 Ų | 168 | 133.9 Ų | 133.9 | 86% | 0.862 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 133.9 | 168.5 | -67.4 | 173.9 | 0 | 0 | 0 | 108.2 | T176 | I174-T176 PolarHBondContact O-N 2.9Š|
| 175 | G | 28.7 | Very low | 33 | Very low | 66 Ų | 66 | 134 Ų | 134 | 68% | 0.68 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -56 | 122.4 | -161.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | P173 L177 | P173-G175 PolarHBondContact O-N 3.37Å; G175-L177 PolarHBondContact O-N 3.3Å |
| 176 | T | 31.1 | Very low | 33.3 | Very low | 140 Ų | 140 | 128.2 Ų | 128.2 | 86% | 0.859 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 121.6 | 162.9 | 40.1 | 0 | 0 | 0 | 0 | 108.9 | I174 K178 | I174-T176 PolarHBondContact O-N 2.9Å; T176-K178 PolarHBondContact O-N 2.78Å |
| 177 | L | 30.9 | Very low | 33.3 | Very low | 175 Ų | 175 | 129.2 Ų | 129.2 | 92% | 0.916 | 79% | 0.791 | S | S | * | * | trans | -63.3 | 105 | 173 | -78.3 | 172.2 | 0 | 0 | 0 | 108.8 | G175 | G175-L177 PolarHBondContact O-N 3.3Š| ||
| 178 | K | 30.1 | Very low | 34.1 | Very low | 189 Ų | 189 | 131.3 Ų | 131.3 | 82% | 0.822 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -49.9 | 128.1 | 171.2 | -174.8 | 175 | -177 | 175.9 | 0 | 108.4 | T176 Q180 | T176-K178 PolarHBondContact O-N 2.78Å; K178-Q180 PolarHBondContact O-N 3.11Å |
| 179 | P | 31 | Very low | 34.3 | Very low | 120 Ų | 120 | 131.6 Ų | 131.6 | 78% | 0.779 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -52 | 126.2 | 178.5 | -27.7 | 34.8 | 0 | 0 | 0 | 110.4 | ||
| 180 | Q | 36.2 | Very low | 34.5 | Very low | 176 Ų | 176 | 128.8 Ų | 128.8 | 82% | 0.822 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -61 | 147.3 | 168.5 | -91.6 | -158.9 | -18.4 | 0 | 0 | 109.1 | K178 Q182 | K178-Q180 PolarHBondContact O-N 3.11Å; Q180-Q182 PolarHBondContact O-N 3.14Å; Q180-Q182 VanDerWaalsContact O-N 3.15Å |
| 181 | P | 34.4 | Very low | 34.4 | Very low | 116 Ų | 116 | 127 Ų | 127 | 75% | 0.753 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 122.9 | -174.4 | 24 | -33.7 | 0 | 0 | 0 | 110.5 | ||
| 182 | Q | 34.8 | Very low | 34.3 | Very low | 168 Ų | 168 | 124.3 Ų | 124.3 | 79% | 0.785 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 153.5 | 159.8 | -73.6 | -175.5 | -15.3 | 0 | 0 | 109.3 | Q180 V184 | Q180-Q182 PolarHBondContact O-N 3.14Å; Q180-Q182 VanDerWaalsContact O-N 3.15Å; Q182-V184 PolarHBondContact O-N 3.49Å |
| 183 | P | 32.6 | Very low | 34.7 | Very low | 134 Ų | 134 | 126.6 Ų | 126.6 | 87% | 0.87 | 76% | 0.758 | S | S | * | * | trans | -62.5 | 96.9 | -178.8 | 25.4 | -35 | 0 | 0 | 0 | 111.3 | ||||
| 184 | V | 36.2 | Very low | 34.7 | Very low | 122 Ų | 122 | 127 Ų | 127 | 74% | 0.739 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 134.4 | 171.4 | -75.6 | 0 | 0 | 0 | 0 | 109.7 | Q182 A186 | Q182-V184 PolarHBondContact O-N 3.49Å; V184-A186 PolarHBondContact O-N 2.64Å |
| 185 | P | 30.4 | Very low | 34.8 | Very low | 124 Ų | 124 | 124 Ų | 124 | 81% | 0.805 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 125 | -178.4 | 28.2 | -33.8 | 0 | 0 | 0 | 110.7 | ||
| 186 | A | 35.9 | Very low | 35.2 | Very low | 78 Ų | 78 | 132.7 Ų | 132.7 | 65% | 0.645 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -91.4 | 126.6 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | V184 | V184-A186 PolarHBondContact O-N 2.64Š|
| 187 | S | 30.2 | Very low | 35.6 | Very low | 123 Ų | 123 | 131.6 Ų | 131.6 | 86% | 0.86 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -70 | 142.7 | 175 | -47.3 | 0 | 0 | 0 | 0 | 111.2 | ||
| 188 | Y | 49.7 | Very low | 35.8 | Very low | 107 Ų | 107 | 129.2 Ų | 129.2 | 42% | 0.42 | 76% | 0.757 | S | S | . | * | trans | -114.9 | 157.4 | 158.1 | 69.6 | -90.4 | 0 | 0 | 0 | 108.9 | F199 V201 V203 | Y188-F199 PolarHBondContact OH-O 3.19Å; Y188-V201 HydrophobicContact CE1-CB 4.07Å; Y188-V201 WeakPolarHBondContact OH-CB 3.49Å; Y188-V201 WeakPolarHBondContact OH-CG2 3.39Å; Y188-V201 PolarHBondContact OH-N 3.46Å; Y188-V203 HydrophobicContact CD1-CG2 4.05Å; Y188-V203 HydrophobicContact CE1-CG2 4.34Å | ||
| 189 | T | 38.7 | Very low | 36.1 | Very low | 135 Ų | 135 | 129.2 Ų | 129.2 | 83% | 0.828 | 76% | 0.758 | S | S | * | * | trans | -120.7 | 130.5 | 178.9 | -25.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 190 | T | 37.8 | Very low | 36.1 | Very low | 96 Ų | 96 | 130.4 Ų | 130.4 | 59% | 0.589 | 76% | 0.758 | S | S | * | * | trans | -72.9 | 142.6 | 156.5 | 46.9 | 0 | 0 | 0 | 0 | 108.3 | S192 | T190-S192 PolarHBondContact O-N 3.28Å; T190-S192 VanDerWaalsContact O-N 3.12Å; T190-S192 PolarHBondContact OG1-OG 3.42Å | ||
| 191 | A | 30.7 | Very low | 36.4 | Very low | 83 Ų | 83 | 124 Ų | 124 | 69% | 0.686 | 73% | 0.73 | S | S | * | * | trans | -63.1 | 114.8 | 163.4 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 192 | S | 34.3 | Very low | 36.3 | Very low | 83 Ų | 83 | 125.8 Ų | 125.8 | 58% | 0.58 | 73% | 0.729 | S | S | * | * | trans | -158.3 | 113.9 | -177.2 | -52.3 | 0 | 0 | 0 | 0 | 108.3 | T190 | T190-S192 PolarHBondContact O-N 3.28Å; T190-S192 VanDerWaalsContact O-N 3.12Å; T190-S192 PolarHBondContact OG1-OG 3.42Å | ||
| 193 | T | 42 | Very low | 36.6 | Very low | 134 Ų | 134 | 120.5 Ų | 120.5 | 82% | 0.822 | 71% | 0.708 | S | S | * | * | trans | -78.5 | 174.8 | 170.8 | 53.9 | 0 | 0 | 0 | 0 | 110.2 | S195 | T193-S195 PolarHBondContact O-N 2.78Š| ||
| 194 | S | 36.3 | Very low | 36.8 | Very low | 131 Ų | 131 | 117.9 Ų | 117.9 | 92% | 0.916 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -70.5 | 90.9 | -160.4 | -65.2 | 0 | 0 | 0 | 0 | 116.5 | ||
| 195 | S | 38.1 | Very low | 37 | Very low | 103 Ų | 103 | 116.5 Ų | 116.5 | 72% | 0.72 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -160.8 | 41.3 | 160.4 | 54.5 | 0 | 0 | 0 | 0 | 118.9 | T193 | T193-S195 PolarHBondContact O-N 2.78Š|
| 196 | R | 38.7 | Very low | 37.3 | Very low | 250 Ų | 250 | 111.8 Ų | 111.8 | 94% | 0.943 | 65% | 0.65 | S | S | * | * | trans | 70.5 | 169.8 | 167.3 | -50.1 | 170.9 | 160.4 | -169.6 | -5.4 | 116.6 | ||||
| 197 | P | 39.3 | Very low | 37.4 | Very low | 116 Ų | 116 | 115.6 Ų | 115.6 | 75% | 0.753 | 65% | 0.654 | S | S | * | * | cis | -114.3 | 155.4 | -43.5 | 35.4 | -24.2 | 0 | 0 | 0 | 112 | ||||
| 198 | T | 34 | Very low | 37.6 | Very low | 125 Ų | 125 | 114.9 Ų | 114.9 | 77% | 0.767 | 65% | 0.647 | S | S | * | * | trans | -68.1 | 138.1 | -172.9 | -38.9 | 0 | 0 | 0 | 0 | 114.4 | N200 | T198-N200 WeakPolarHBondContact CG2-OD1 3.07Š| ||
| 199 | F | 36.4 | Very low | 36.7 | Very low | 190 Ų | 190 | 113.5 Ų | 113.5 | 83% | 0.833 | 65% | 0.653 | S | S | * | * | trans | -112 | 115.6 | 163.7 | -111.4 | -88.4 | 0 | 0 | 0 | 110.3 | Y188 | Y188-F199 PolarHBondContact OH-O 3.19Š| ||
| 200 | N | 31 | Very low | 36.6 | Very low | 144 Ų | 144 | 113 Ų | 113 | 77% | 0.77 | 65% | 0.652 | S | S | * | * | trans | -84 | 128.8 | -177.2 | -64.5 | 2.1 | 0 | 0 | 0 | 111.2 | T198 | T198-N200 WeakPolarHBondContact CG2-OD1 3.07Š| ||
| 201 | V | 42.1 | Very low | 36.5 | Very low | 41 Ų | 41 | 116.2 Ų | 116.2 | 25% | 0.248 | 66% | 0.66 | C | S | . | * | trans | -115 | 134.9 | 167.1 | -175.3 | 0 | 0 | 0 | 0 | 109 | Y188 | Y188-V201 HydrophobicContact CE1-CB 4.07Å; Y188-V201 WeakPolarHBondContact OH-CB 3.49Å; Y188-V201 WeakPolarHBondContact OH-CG2 3.39Å; Y188-V201 PolarHBondContact OH-N 3.46Å | ||
| 202 | Q | 32.8 | Very low | 36.4 | Very low | 154 Ų | 154 | 122.7 Ų | 122.7 | 72% | 0.72 | 67% | 0.668 | S | S | * | * | trans | -78.7 | 121.6 | 173.2 | -82.4 | -179.7 | -23 | 0 | 0 | 110.8 | P433 | Q202-P433 WeakPolarHBondContact O-CA 3.33Å; Q202-P433 WeakPolarHBondContact O-CB 3.38Å | ||
| 203 | V | 40.5 | Very low | 36.2 | Very low | 57 Ų | 57 | 126.1 Ų | 126.1 | 35% | 0.345 | 68% | 0.677 | S | S | . | * | trans | -95.8 | 130.2 | 168 | -179 | 0 | 0 | 0 | 0 | 108.8 | Y188 | Y188-V203 HydrophobicContact CD1-CG2 4.05Å; Y188-V203 HydrophobicContact CE1-CG2 4.34Å | ||
| 204 | K | 37 | Very low | 35.7 | Very low | 79 Ų | 79 | 123.9 Ų | 123.9 | 34% | 0.343 | 67% | 0.672 | S | S | . | * | trans | -112.9 | 99.6 | 175.7 | -68.4 | 167.5 | -177.5 | 161.8 | 0 | 108.4 | A206 Y435 E444 | K204-A206 PolarHBondContact O-N 3.26Å; K204-Y435 HydrophobicContact CB-CE1 3.8Å; K204-Y435 WeakPolarHBondContact CD-OH 3.14Å; K204-Y435 WeakPolarHBondContact O-CD1 3.48Å; K204-Y435 WeakPolarHBondContact O-CE1 3.19Å; K204-E444 IonicContact NZ-OE1 3.61Å; K204-E444 PolarHBondContact NZ-OE1 2.81Å; K204-E444 IonicContact NZ-OE2 3.7Å; K204-E444 PolarHBondContact NZ-OE2 3.41Å | ||
| 205 | S | 40.2 | Very low | 35.4 | Very low | 93 Ų | 93 | 122.2 Ų | 122.2 | 65% | 0.65 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -72 | 116.8 | 179.1 | -57.8 | 0 | 0 | 0 | 0 | 111 | Q207 | S205-Q207 PolarHBondContact O-N 2.87Š|
| 206 | A | 38.8 | Very low | 35.2 | Very low | 25 Ų | 25 | 123.4 Ų | 123.4 | 21% | 0.207 | 67% | 0.672 | C | S | . | * | P | Polyproline II helix | trans | -72.2 | 121.5 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | K204 Y435 V437 Y447 | K204-A206 PolarHBondContact O-N 3.26Å; A206-Y435 HydrophobicContact CB-CD1 3.74Å; A206-Y435 HydrophobicContact CB-CE1 4.33Å; A206-V437 HydrophobicContact CB-CG2 4.48Å; A206-Y447 HydrophobicContact CB-CE1 4.05Å; A206-Y447 HydrophobicContact CB-CE2 4.07Å; A206-Y447 WeakPolarHBondContact CB-OH 3.35Å |
| 207 | Q | 37.6 | Very low | 34.8 | Very low | 158 Ų | 158 | 117.1 Ų | 117.1 | 74% | 0.738 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 131.5 | 165.4 | -69.4 | -64.7 | -25.7 | 0 | 0 | 109.1 | S205 S209 | S205-Q207 PolarHBondContact O-N 2.87Å; Q207-S209 PolarHBondContact O-N 2.9Å |
| 208 | P | 34.2 | Very low | 34.4 | Very low | 108 Ų | 108 | 117.7 Ų | 117.7 | 70% | 0.701 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 133.6 | 164.4 | 28.6 | -32.5 | 0 | 0 | 0 | 108.5 | P210 | P208-P210 WeakPolarHBondContact O-CD 3.26Š|
| 209 | S | 30.9 | Very low | 34.2 | Very low | 79 Ų | 79 | 115.2 Ų | 115.2 | 55% | 0.552 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 123.8 | 177.4 | -77 | 0 | 0 | 0 | 0 | 110 | Q207 H211 | Q207-S209 PolarHBondContact O-N 2.9Å; S209-H211 PolarHBondContact O-N 3.18Å; S209-H211 VanDerWaalsContact O-N 3.17Å |
| 210 | P | 36.8 | Very low | 34 | Very low | 124 Ų | 124 | 115.8 Ų | 115.8 | 81% | 0.805 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 117.3 | 177.7 | 26.8 | -32.9 | 0 | 0 | 0 | 109.5 | P208 Y212 | P208-P210 WeakPolarHBondContact O-CD 3.26Å; P210-Y212 PolarHBondContact O-N 2.84Å; P210-Y212 VanDerWaalsContact O-N 3.11Å |
| 211 | H | 34.9 | Very low | 34 | Very low | 164 Ų | 164 | 116.1 Ų | 116.1 | 76% | 0.759 | 68% | 0.677 | S | S | * | * | trans | -61.7 | 113.5 | 168.9 | -73.6 | -77.8 | 0 | 0 | 0 | 109.1 | S209 M213 | S209-H211 PolarHBondContact O-N 3.18Å; S209-H211 VanDerWaalsContact O-N 3.17Å; H211-M213 PolarHBondContact O-N 2.76Å | ||
| 212 | Y | 28 | Very low | 33.6 | Very low | 219 Ų | 219 | 125.6 Ų | 125.6 | 86% | 0.859 | 71% | 0.71 | S | S | * | * | trans | -69.7 | 94.8 | 172.8 | -173.1 | -91.1 | 0 | 0 | 0 | 109.5 | P210 | P210-Y212 PolarHBondContact O-N 2.84Å; P210-Y212 VanDerWaalsContact O-N 3.11Å | ||
| 213 | M | 31.3 | Very low | 33.4 | Very low | 155 Ų | 155 | 121.4 Ų | 121.4 | 76% | 0.764 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -87 | 139.6 | 167.1 | -70.4 | -65 | 176.6 | 0 | 0 | 109.4 | H211 | H211-M213 PolarHBondContact O-N 2.76Š|
| 214 | A | 30.6 | Very low | 33 | Very low | 87 Ų | 87 | 124.9 Ų | 124.9 | 72% | 0.719 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 156.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 215 | A | 31.2 | Very low | 32.6 | Very low | 95 Ų | 95 | 124.6 Ų | 124.6 | 79% | 0.785 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 143.2 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 216 | P | 33.1 | Very low | 32.8 | Very low | 129 Ų | 129 | 126.1 Ų | 126.1 | 84% | 0.838 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 138.9 | 175.4 | 32.7 | -33.9 | 0 | 0 | 0 | 112.1 | ||
| 217 | S | 29.8 | Very low | 32.5 | Very low | 118 Ų | 118 | 134.3 Ų | 134.3 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 148.3 | 166 | 53.8 | 0 | 0 | 0 | 0 | 111.7 | ||
| 218 | S | 31.8 | Very low | 32 | Very low | 127 Ų | 127 | 130 Ų | 130 | 89% | 0.888 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 135.9 | -179.7 | 53.3 | 0 | 0 | 0 | 0 | 114.3 | ||
| 219 | G | 29.9 | Very low | 31.8 | Very low | 73 Ų | 73 | 135.7 Ų | 135.7 | 75% | 0.753 | 80% | 0.803 | S | S | * | * | trans | 176.9 | 76.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 220 | Q | 32.5 | Very low | 31.8 | Very low | 203 Ų | 203 | 138.7 Ų | 138.7 | 95% | 0.949 | 81% | 0.813 | S | S | * | * | trans | 65.5 | 169.2 | 154.8 | -75.1 | -163.9 | -16.6 | 0 | 0 | 121.5 | ||||
| 221 | I | 30.6 | Very low | 31.6 | Very low | 150 Ų | 150 | 139.1 Ų | 139.1 | 77% | 0.769 | 81% | 0.814 | S | S | * | * | trans | -123.9 | 135.4 | -165.2 | -66.4 | 161.2 | 0 | 0 | 0 | 108.8 | ||||
| 222 | Y | 33.6 | Very low | 31.4 | Very low | 241 Ų | 241 | 139.3 Ų | 139.3 | 95% | 0.945 | 82% | 0.815 | S | S | * | * | -172.9 | 152.6 | 129.7 | -108.5 | -75.7 | 0 | 0 | 0 | 108.3 | |||||
| 223 | G | 28.5 | Very low | 31.9 | Very low | 66 Ų | 66 | 134.2 Ų | 134.2 | 68% | 0.68 | 81% | 0.809 | S | S | * | * | trans | -139.3 | 162.6 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 224 | S | 31.8 | Very low | 32.1 | Very low | 130 Ų | 130 | 133.1 Ų | 133.1 | 91% | 0.909 | 81% | 0.81 | S | S | * | * | trans | -166.1 | 165.1 | 162 | 21.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 225 | G | 29.1 | Very low | 32.6 | Very low | 72 Ų | 72 | 134.9 Ų | 134.9 | 74% | 0.742 | 81% | 0.814 | S | S | * | * | trans | -91.8 | -159.3 | -163.7 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 226 | P | 43.7 | Very low | 32.7 | Very low | 126 Ų | 126 | 137.1 Ų | 137.1 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | trans | -117.5 | 159 | -139.9 | 40.9 | -33.8 | 0 | 0 | 0 | 115.7 | ||||
| 227 | Q | 32.2 | Very low | 32.7 | Very low | 197 Ų | 197 | 137 Ų | 137 | 92% | 0.921 | 82% | 0.82 | S | S | * | * | trans | -144.6 | 161.1 | 143 | -77.7 | -153.6 | -10.2 | 0 | 0 | 109.7 | ||||
| 228 | G | 26.9 | Very low | 32.6 | Very low | 68 Ų | 68 | 135 Ų | 135 | 70% | 0.701 | 82% | 0.818 | S | S | * | * | trans | -146.5 | 163.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 229 | Y | 31.8 | Very low | 32.5 | Very low | 227 Ų | 227 | 138.3 Ų | 138.3 | 89% | 0.89 | 82% | 0.82 | S | S | * | * | trans | -151.5 | 166.4 | 170.6 | 46.6 | -96.5 | 0 | 0 | 0 | 110.8 | ||||
| 230 | N | 29.2 | Very low | 32.6 | Very low | 142 Ų | 142 | 140.8 Ų | 140.8 | 76% | 0.759 | 82% | 0.824 | S | S | * | * | trans | -111.1 | 142 | -167.9 | 173 | -14.9 | 0 | 0 | 0 | 110 | ||||
| 231 | T | 32.7 | Very low | 33.1 | Very low | 133 Ų | 133 | 137 Ų | 137 | 82% | 0.816 | 82% | 0.817 | S | S | * | * | trans | -157.2 | 144.9 | 149.5 | -0.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 232 | Q | 30.6 | Very low | 33.8 | Very low | 168 Ų | 168 | 135.4 Ų | 135.4 | 79% | 0.785 | 82% | 0.816 | S | S | * | * | trans | -96.8 | 157.7 | 168.9 | -83.9 | -90.3 | -24.9 | 0 | 0 | 110.2 | ||||
| 233 | P | 40.2 | Very low | 34 | Very low | 112 Ų | 112 | 130 Ų | 130 | 73% | 0.727 | 81% | 0.811 | S | S | * | * | trans | -86.3 | 162.6 | -178.3 | 35.7 | -35.3 | 0 | 0 | 0 | 113.6 | ||||
| 234 | V | 34.9 | Very low | 34.2 | Very low | 132 Ų | 132 | 132.9 Ų | 132.9 | 80% | 0.8 | 82% | 0.821 | S | S | * | * | trans | -133 | 135.1 | 174.1 | -174.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 235 | P | 41.1 | Very low | 34.3 | Very low | 123 Ų | 123 | 133.5 Ų | 133.5 | 80% | 0.799 | 82% | 0.819 | S | S | * | * | trans | -87.5 | 150.1 | -179.1 | 34.7 | -34.9 | 0 | 0 | 0 | 113 | ||||
| 236 | V | 32.2 | Very low | 34.5 | Very low | 143 Ų | 143 | 141.9 Ų | 141.9 | 87% | 0.867 | 83% | 0.828 | S | S | * | * | trans | -135.1 | 135.1 | 169.8 | 171.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 237 | S | 33 | Very low | 33.9 | Very low | 125 Ų | 125 | 139.8 Ų | 139.8 | 87% | 0.874 | 83% | 0.829 | S | S | * | * | trans | -94.8 | 149.9 | 176.8 | -54 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 238 | G | 27.6 | Very low | 33.6 | Very low | 77 Ų | 77 | 134 Ų | 134 | 79% | 0.794 | 82% | 0.822 | S | S | * | * | trans | -158.7 | 143.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 239 | Q | 30.9 | Very low | 34 | Very low | 197 Ų | 197 | 139.2 Ų | 139.2 | 92% | 0.921 | 83% | 0.831 | S | S | * | * | trans | -121.6 | 171.8 | -175.7 | -72.3 | 174.8 | -19.6 | 0 | 0 | 111.6 | ||||
| 240 | C | 31.1 | Very low | 34 | Very low | 124 Ų | 124 | 135 Ų | 135 | 84% | 0.838 | 82% | 0.823 | S | S | * | * | trans | -68.7 | 168.5 | -163.7 | -49.9 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 241 | P | 42.8 | Very low | 34.3 | Very low | 125 Ų | 125 | 139 Ų | 139 | 81% | 0.812 | 83% | 0.83 | S | S | * | * | -138.7 | 170.2 | 105 | 35.2 | -21.5 | 0 | 0 | 0 | 115.2 | |||||
| 242 | P | 45.3 | Very low | 34.1 | Very low | 115 Ų | 115 | 137 Ų | 137 | 75% | 0.747 | 83% | 0.827 | S | S | * | * | trans | -105.3 | 170.5 | -170.2 | 40.6 | -35.8 | 0 | 0 | 0 | 115.4 | ||||
| 243 | P | 39 | Very low | 34.2 | Very low | 128 Ų | 128 | 139.6 Ų | 139.6 | 83% | 0.831 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -93.1 | 159 | 169.2 | 36.8 | -33.7 | 0 | 0 | 0 | 113.9 | ||
| 244 | S | 31.8 | Very low | 34 | Very low | 127 Ų | 127 | 141.2 Ų | 141.2 | 89% | 0.888 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -101.2 | 167 | -175.9 | -71.7 | 0 | 0 | 0 | 0 | 115.4 | ||
| 245 | T | 33.8 | Very low | 34.3 | Very low | 142 Ų | 142 | 139.9 Ų | 139.9 | 87% | 0.871 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -69 | 148 | -174.5 | 51 | 0 | 0 | 0 | 0 | 116.9 | ||
| 246 | R | 34.8 | Very low | 34.9 | Very low | 249 Ų | 249 | 139.9 Ų | 139.9 | 94% | 0.94 | 83% | 0.826 | S | S | * | * | trans | -151.5 | 130.5 | 148.5 | -159.4 | 172.5 | -171.7 | 168.3 | 2.6 | 109.2 | ||||
| 247 | G | 29.2 | Very low | 35.6 | Very low | 81 Ų | 81 | 139.3 Ų | 139.3 | 84% | 0.835 | 83% | 0.825 | S | S | * | * | trans | -83.7 | 166.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 248 | G | 27.8 | Very low | 35.5 | Very low | 75 Ų | 75 | 136.9 Ų | 136.9 | 77% | 0.773 | 82% | 0.82 | S | S | * | * | cis | -156.9 | -132.5 | -2.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 249 | M | 34.4 | Very low | 35.7 | Very low | 179 Ų | 179 | 141.7 Ų | 141.7 | 88% | 0.882 | 83% | 0.827 | S | S | * | * | cis | -172.9 | 165.9 | -6.5 | 65.5 | -161.6 | -166 | 0 | 0 | 108.6 | ||||
| 250 | D | 32.3 | Very low | 35.7 | Very low | 137 Ų | 137 | 140.7 Ų | 140.7 | 73% | 0.733 | 82% | 0.822 | S | S | * | * | -157.6 | 158 | -57.8 | 76.6 | -93.6 | 0 | 0 | 0 | 109.6 | |||||
| 251 | Y | 34.6 | Very low | 36.4 | Very low | 227 Ų | 227 | 139.3 Ų | 139.3 | 89% | 0.89 | 81% | 0.811 | S | S | * | * | trans | -175.2 | 131.4 | 144.2 | -120.8 | -86.8 | 0 | 0 | 0 | 108.7 | ||||
| 252 | A | 29.9 | Very low | 35.9 | Very low | 92 Ų | 92 | 140.8 Ų | 140.8 | 76% | 0.76 | 81% | 0.808 | S | S | * | * | trans | -153.2 | 140.9 | 172 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 253 | Y | 30.7 | Very low | 35.9 | Very low | 222 Ų | 222 | 141.2 Ų | 141.2 | 87% | 0.871 | 81% | 0.81 | S | S | * | * | trans | -118.6 | 128.1 | 178.6 | -166.2 | -90.3 | 0 | 0 | 0 | 109.9 | ||||
| 254 | I | 36.6 | Very low | 35.5 | Very low | 146 Ų | 146 | 137.2 Ų | 137.2 | 75% | 0.749 | 79% | 0.793 | S | S | * | * | trans | -127.5 | 127.9 | -177.7 | -60.1 | 177.2 | 0 | 0 | 0 | 108.8 | ||||
| 255 | P | 41.5 | Very low | 35.4 | Very low | 103 Ų | 103 | 143.1 Ų | 143.1 | 67% | 0.669 | 80% | 0.797 | S | S | * | * | trans | -82.4 | 146.4 | 175.4 | 33.2 | -33.9 | 0 | 0 | 0 | 112.4 | ||||
| 256 | P | 52.7 | Low | 35.1 | Very low | 123 Ų | 123 | 139.4 Ų | 139.4 | 80% | 0.799 | 79% | 0.787 | S | S | * | * | trans | -86.6 | 161 | 178 | 35.3 | -35.9 | 0 | 0 | 0 | 113.4 | ||||
| 257 | P | 47.1 | Very low | 35 | Very low | 131 Ų | 131 | 139.1 Ų | 139.1 | 85% | 0.851 | 79% | 0.788 | S | S | * | * | trans | -104.7 | 147.3 | -178.2 | 37.8 | -32.8 | 0 | 0 | 0 | 115.6 | ||||
| 258 | G | 30.8 | Very low | 35 | Very low | 75 Ų | 75 | 139.1 Ų | 139.1 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | trans | 94.9 | 134.9 | 142.3 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 259 | L | 32.9 | Very low | 36 | Very low | 177 Ų | 177 | 141.1 Ų | 141.1 | 93% | 0.927 | 78% | 0.779 | S | S | * | * | trans | -165.9 | 173.3 | 140.3 | -106.2 | 168.4 | 0 | 0 | 0 | 110.8 | ||||
| 260 | Q | 31.9 | Very low | 35.8 | Very low | 176 Ų | 176 | 138.7 Ų | 138.7 | 82% | 0.822 | 77% | 0.77 | S | S | * | * | trans | -124.2 | 176.4 | -166.7 | -92.5 | -82.7 | -78.7 | 0 | 0 | 112.1 | ||||
| 261 | P | 44.6 | Very low | 35.7 | Very low | 95 Ų | 95 | 140.2 Ų | 140.2 | 62% | 0.617 | 77% | 0.773 | S | S | * | * | trans | -117.9 | -167.5 | -136.7 | 46.3 | -40.6 | 0 | 0 | 0 | 117.2 | ||||
| 262 | E | 31.4 | Very low | 35.5 | Very low | 157 Ų | 157 | 133 Ų | 133 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | trans | 75.8 | 159.2 | 163.6 | -78.2 | -60.3 | 95.6 | 0 | 0 | 117.3 | G264 | E262-G264 PolarHBondContact OE2-N 3.44Š| ||
| 263 | P | 46.1 | Very low | 35.6 | Very low | 123 Ų | 123 | 138 Ų | 138 | 80% | 0.799 | 77% | 0.767 | S | S | * | * | cis | -133.8 | 156.6 | 16.5 | 40.6 | -23.2 | 0 | 0 | 0 | 120.3 | ||||
| 264 | G | 29.9 | Very low | 35.5 | Very low | 45 Ų | 45 | 137.4 Ų | 137.4 | 46% | 0.464 | 76% | 0.764 | S | S | . | * | 108.4 | 121.8 | 117.8 | 0 | 0 | 0 | 0 | 0 | 122.3 | E262 | E262-G264 PolarHBondContact OE2-N 3.44Š| |||
| 265 | Y | 30.6 | Very low | 35.3 | Very low | 250 Ų | 250 | 139.1 Ų | 139.1 | 98% | 0.98 | 76% | 0.763 | S | S | * | * | trans | 63.8 | 140.2 | 156.2 | -62.1 | -91.9 | 0 | 0 | 0 | 119.4 | ||||
| 266 | G | 27.4 | Very low | 34.8 | Very low | 65 Ų | 65 | 139.2 Ų | 139.2 | 67% | 0.67 | 75% | 0.754 | S | S | * | * | cis | 173.7 | -177.4 | -5.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 267 | Y | 31.9 | Very low | 33.8 | Very low | 243 Ų | 243 | 136.8 Ų | 136.8 | 95% | 0.953 | 75% | 0.752 | S | S | * | * | trans | 71.4 | 151.7 | 174.8 | -95.2 | -94.1 | 0 | 0 | 0 | 120.3 | ||||
| 268 | A | 30.5 | Very low | 33.2 | Very low | 81 Ų | 81 | 139.2 Ų | 139.2 | 67% | 0.669 | 75% | 0.745 | S | S | * | * | trans | -140.3 | -172.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 269 | P | 48 | Very low | 33.2 | Very low | 116 Ų | 116 | 145.3 Ų | 145.3 | 75% | 0.753 | 75% | 0.746 | S | S | * | * | cis | -144.9 | -178.1 | 6.9 | 41.6 | -20.6 | 0 | 0 | 0 | 117.8 | ||||
| 270 | N | 30.7 | Very low | 33.2 | Very low | 128 Ų | 128 | 141.2 Ų | 141.2 | 68% | 0.684 | 74% | 0.738 | S | S | * | * | trans | 84.3 | 133.6 | 139.1 | -125.4 | 4.6 | 0 | 0 | 0 | 123.1 | ||||
| 271 | Q | 30.2 | Very low | 33.2 | Very low | 170 Ų | 170 | 137.9 Ų | 137.9 | 79% | 0.794 | 74% | 0.74 | S | S | * | * | trans | 41.4 | 127 | 145.4 | -75 | 167.9 | 59.5 | 0 | 0 | 121.9 | ||||
| 272 | G | 30.8 | Very low | 32.4 | Very low | 76 Ų | 76 | 136.4 Ų | 136.4 | 78% | 0.784 | 74% | 0.742 | S | S | * | * | trans | -111 | 179.8 | 166.9 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 273 | R | 32.3 | Very low | 33.2 | Very low | 196 Ų | 196 | 135.6 Ų | 135.6 | 74% | 0.74 | 75% | 0.751 | S | S | * | * | trans | -158.3 | 134.6 | 176.8 | -99.5 | -70.7 | -165.7 | 134.3 | 2.9 | 111.2 | E276 | R273-E276 IonicContact CZ-OE2 3.7Å; R273-E276 IonicContact NH1-OE2 3.63Å; R273-E276 PolarHBondContact NH1-OE2 2.86Å; R273-E276 IonicContact NH2-OE2 3.24Å | ||
| 274 | Y | 27.1 | Very low | 32.6 | Very low | 210 Ų | 210 | 132.3 Ų | 132.3 | 82% | 0.824 | 74% | 0.739 | S | S | * | * | trans | -178.2 | 138.5 | 145.3 | -123.3 | -118.1 | 0 | 0 | 0 | 107.4 | ||||
| 275 | Y | 33.8 | Very low | 32.7 | Very low | 182 Ų | 182 | 142 Ų | 142 | 71% | 0.714 | 76% | 0.764 | S | S | * | * | cis | -138.3 | -177 | -4.3 | -163.6 | -113.1 | 0 | 0 | 0 | 110.4 | ||||
| 276 | E | 30.4 | Very low | 32.7 | Very low | 105 Ų | 105 | 133.6 Ų | 133.6 | 49% | 0.491 | 75% | 0.753 | S | S | . | * | trans | -129.8 | 162.3 | -165 | -166 | 167.5 | 105.8 | 0 | 0 | 113.5 | R273 | R273-E276 IonicContact CZ-OE2 3.7Å; R273-E276 IonicContact NH1-OE2 3.63Å; R273-E276 PolarHBondContact NH1-OE2 2.86Å; R273-E276 IonicContact NH2-OE2 3.24Å | ||
| 277 | G | 31 | Very low | 33 | Very low | 72 Ų | 72 | 134.3 Ų | 134.3 | 74% | 0.742 | 76% | 0.76 | S | S | * | * | trans | -153.5 | 57.8 | -174 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 278 | Y | 34.3 | Very low | 33.2 | Very low | 182 Ų | 182 | 134.5 Ų | 134.5 | 71% | 0.714 | 76% | 0.759 | S | S | * | * | trans | 35.5 | 116.7 | 153 | -84.2 | -108.6 | 0 | 0 | 0 | 121.9 | ||||
| 279 | Y | 32 | Very low | 33.4 | Very low | 202 Ų | 202 | 137.1 Ų | 137.1 | 79% | 0.792 | 76% | 0.762 | S | S | * | * | 45.2 | 130.7 | 122.9 | -75.1 | -86.5 | 0 | 0 | 0 | 119.8 | |||||
| 280 | A | 33.2 | Very low | 32.8 | Very low | 91 Ų | 91 | 138.3 Ų | 138.3 | 75% | 0.752 | 76% | 0.762 | S | S | * | * | cis | -154.4 | -163 | 13.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 281 | A | 30.7 | Very low | 33.2 | Very low | 106 Ų | 106 | 138.1 Ų | 138.1 | 88% | 0.876 | 77% | 0.771 | S | S | * | * | cis | -152.7 | -128.7 | 10.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 282 | G | 27.1 | Very low | 33.3 | Very low | 64 Ų | 64 | 136.2 Ų | 136.2 | 66% | 0.66 | 77% | 0.766 | S | S | * | * | trans | -175 | -162.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 283 | P | 49 | Very low | 34.3 | Very low | 140 Ų | 140 | 138.7 Ų | 138.7 | 91% | 0.909 | 77% | 0.768 | S | S | * | * | cis | -104 | -144 | 1.5 | 45.2 | -36.5 | 0 | 0 | 0 | 110.4 | ||||
| 284 | G | 32.9 | Very low | 34.3 | Very low | 54 Ų | 54 | 135.2 Ų | 135.2 | 56% | 0.557 | 77% | 0.769 | S | S | * | * | cis | 174.7 | 174.1 | 3.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 285 | Y | 33.4 | Very low | 34.5 | Very low | 250 Ų | 250 | 135.7 Ų | 135.7 | 98% | 0.98 | 77% | 0.771 | S | S | * | * | trans | 64.4 | 141.5 | -176 | -60.3 | -86.8 | 0 | 0 | 0 | 115.9 | ||||
| 286 | G | 30.9 | Very low | 34.5 | Very low | 73 Ų | 73 | 129.2 Ų | 129.2 | 75% | 0.753 | 76% | 0.759 | S | S | * | * | cis | -171.6 | 157.6 | -6.1 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 287 | G | 32.3 | Very low | 34.6 | Very low | 80 Ų | 80 | 132.5 Ų | 132.5 | 83% | 0.825 | 78% | 0.775 | S | S | * | * | trans | -83.5 | -163.2 | 178 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 288 | R | 35.9 | Very low | 34.7 | Very low | 247 Ų | 247 | 137.6 Ų | 137.6 | 93% | 0.932 | 78% | 0.779 | S | S | * | * | cis | -157.5 | -162.8 | 9.4 | -135.3 | -178.3 | -166 | -175 | 4.3 | 110.5 | ||||
| 289 | N | 34.4 | Very low | 34.4 | Very low | 136 Ų | 136 | 132 Ų | 132 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | trans | -102.8 | -179.3 | -164.4 | -48.8 | -14 | 0 | 0 | 0 | 116.1 | ||||
| 290 | D | 35.8 | Very low | 34.4 | Very low | 141 Ų | 141 | 131.5 Ų | 131.5 | 75% | 0.754 | 78% | 0.781 | S | S | * | * | trans | 101 | 123.9 | 137.8 | -62.6 | -36.3 | 0 | 0 | 0 | 123.6 | ||||
| 291 | S | 40.2 | Very low | 35.3 | Very low | 124 Ų | 124 | 131.8 Ų | 131.8 | 87% | 0.867 | 78% | 0.775 | S | S | * | * | trans | 84.8 | 154.5 | 137.4 | -60.5 | 0 | 0 | 0 | 0 | 125.4 | ||||
| 292 | D | 32.8 | Very low | 35.4 | Very low | 129 Ų | 129 | 132.3 Ų | 132.3 | 69% | 0.69 | 76% | 0.763 | S | S | * | * | trans | -84.2 | 159.7 | -177.5 | -158.1 | -79.1 | 0 | 0 | 0 | 112.6 | T294 | D292-T294 PolarHBondContact OD1-N 2.81Å; D292-T294 PolarHBondContact OD1-OG1 3.32Å | ||
| 293 | P | 51.1 | Low | 35.5 | Very low | 128 Ų | 128 | 136 Ų | 136 | 83% | 0.831 | 77% | 0.774 | S | S | * | * | -147.1 | 166.2 | 115.8 | 37.8 | -21.8 | 0 | 0 | 0 | 116.6 | |||||
| 294 | T | 32.4 | Very low | 34.6 | Very low | 123 Ų | 123 | 140.3 Ų | 140.3 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | trans | -98.9 | 134.3 | -158 | -53.7 | 0 | 0 | 0 | 0 | 117.3 | D292 | D292-T294 PolarHBondContact OD1-N 2.81Å; D292-T294 PolarHBondContact OD1-OG1 3.32Å | ||
| 295 | Y | 31.5 | Very low | 34.5 | Very low | 221 Ų | 221 | 147.1 Ų | 147.1 | 87% | 0.867 | 79% | 0.786 | S | S | * | * | trans | -166.3 | 153.1 | 139.5 | -135.7 | -104.5 | 0 | 0 | 0 | 110.7 | ||||
| 296 | G | 32.5 | Very low | 34.3 | Very low | 46 Ų | 46 | 146.6 Ų | 146.6 | 47% | 0.474 | 78% | 0.782 | S | S | . | * | cis | 154.4 | 123.2 | -12.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 297 | Q | 34.2 | Very low | 34.2 | Very low | 174 Ų | 174 | 151.9 Ų | 151.9 | 81% | 0.813 | 79% | 0.787 | S | S | * | * | trans | 66.3 | 163.3 | -175.4 | -60.5 | -69.2 | -4.7 | 0 | 0 | 114.4 | ||||
| 298 | Q | 32.4 | Very low | 34.7 | Very low | 179 Ų | 179 | 154.1 Ų | 154.1 | 84% | 0.836 | 79% | 0.787 | S | S | * | * | cis | -151.4 | 171.2 | 1 | -146.4 | -163.1 | 106 | 0 | 0 | 110.9 | ||||
| 299 | G | 28.6 | Very low | 34.2 | Very low | 64 Ų | 64 | 145.9 Ų | 145.9 | 66% | 0.66 | 78% | 0.779 | S | S | * | * | trans | 105.2 | 119 | 157.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 300 | H | 31.5 | Very low | 34 | Very low | 192 Ų | 192 | 150.1 Ų | 150.1 | 89% | 0.889 | 79% | 0.787 | S | S | * | * | trans | -147.3 | 175.1 | 178.8 | -101.8 | -74.1 | 0 | 0 | 0 | 108.8 | ||||
| 301 | P | 51.3 | Low | 33.7 | Very low | 96 Ų | 96 | 149.4 Ų | 149.4 | 62% | 0.623 | 79% | 0.787 | S | S | * | * | cis | -121.8 | -176.8 | -10.1 | 23.8 | 1.6 | 0 | 0 | 0 | 111 | ||||
| 302 | N | 32.4 | Very low | 33.8 | Very low | 117 Ų | 117 | 149.1 Ų | 149.1 | 63% | 0.626 | 78% | 0.783 | S | S | * | * | cis | -161.4 | 141.3 | 47.1 | -79.9 | -87.5 | 0 | 0 | 0 | 112.9 | W304 | N302-W304 PolarHBondContact OD1-NE1 3.01Š| ||
| 303 | T | 29.4 | Very low | 34.2 | Very low | 143 Ų | 143 | 149.3 Ų | 149.3 | 88% | 0.877 | 79% | 0.791 | S | S | * | * | trans | -141.4 | 136.1 | 154.7 | 46.9 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 304 | W | 30 | Very low | 33.1 | Very low | 229 Ų | 229 | 147.1 Ų | 147.1 | 87% | 0.867 | 79% | 0.791 | S | S | * | * | trans | -122.3 | 135.2 | -179.4 | -78.3 | 89.5 | 0 | 0 | 0 | 111 | N302 | N302-W304 PolarHBondContact OD1-NE1 3.01Š| ||
| 305 | K | 31.4 | Very low | 33.1 | Very low | 198 Ų | 198 | 146.6 Ų | 146.6 | 86% | 0.861 | 80% | 0.8 | S | S | * | * | trans | -121.5 | 131.6 | 172.7 | -84.6 | -120.5 | -177.2 | 175 | 0 | 110.3 | ||||
| 306 | R | 30.5 | Very low | 33 | Very low | 238 Ų | 238 | 139.6 Ų | 139.6 | 90% | 0.898 | 80% | 0.795 | S | S | * | * | trans | 0.8 | 123.9 | 156.6 | 177.7 | -172.9 | -74.6 | -157.2 | -5.2 | 117.2 | ||||
| 307 | E | 28.4 | Very low | 32.9 | Very low | 184 Ų | 184 | 145.1 Ų | 145.1 | 86% | 0.86 | 81% | 0.814 | S | S | * | * | trans | -114.4 | 162 | 148.6 | -71.3 | -151.5 | 109.8 | 0 | 0 | 111.4 | ||||
| 308 | P | 42 | Very low | 32.8 | Very low | 127 Ų | 127 | 146.3 Ų | 146.3 | 83% | 0.825 | 82% | 0.819 | S | S | * | * | trans | -117.5 | 139.6 | 164.3 | 36.9 | -25.1 | 0 | 0 | 0 | 113.1 | ||||
| 309 | G | 25.8 | Very low | 32.7 | Very low | 74 Ų | 74 | 145.6 Ų | 145.6 | 76% | 0.763 | 82% | 0.821 | S | S | * | * | trans | -161.7 | 120 | 178.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 310 | Y | 30.3 | Very low | 34 | Very low | 226 Ų | 226 | 147.7 Ų | 147.7 | 89% | 0.886 | 82% | 0.823 | S | S | * | * | trans | 52 | 128.4 | 150.9 | -99.4 | -86.5 | 0 | 0 | 0 | 123.9 | ||||
| 311 | T | 30 | Very low | 34.4 | Very low | 125 Ų | 125 | 144.6 Ų | 144.6 | 77% | 0.767 | 82% | 0.82 | S | S | * | * | trans | -140 | 175.4 | 156.3 | 69.8 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 312 | P | 40.6 | Very low | 33.3 | Very low | 119 Ų | 119 | 143.1 Ų | 143.1 | 77% | 0.773 | 82% | 0.822 | S | S | * | * | trans | -97.5 | 173.8 | -139 | 1.3 | 22.4 | 0 | 0 | 0 | 116.4 | ||||
| 313 | P | 42.7 | Very low | 33.1 | Very low | 133 Ų | 133 | 146.2 Ų | 146.2 | 86% | 0.864 | 84% | 0.835 | S | S | * | * | trans | -79.7 | 156.4 | -177.5 | 33.6 | -36.6 | 0 | 0 | 0 | 114.1 | ||||
| 314 | G | 28 | Very low | 33.3 | Very low | 81 Ų | 81 | 150 Ų | 150 | 84% | 0.835 | 84% | 0.835 | S | S | * | * | trans | -145.7 | 144.6 | 168.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 315 | A | 32 | Very low | 34.1 | Very low | 113 Ų | 113 | 144.4 Ų | 144.4 | 93% | 0.934 | 83% | 0.828 | S | S | * | * | trans | -124.9 | 154.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 316 | G | 28.9 | Very low | 34.1 | Very low | 74 Ų | 74 | 140.8 Ų | 140.8 | 76% | 0.763 | 82% | 0.822 | S | S | * | * | trans | -110.8 | 164.6 | -162.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 317 | N | 30.2 | Very low | 34.2 | Very low | 162 Ų | 162 | 136.1 Ų | 136.1 | 87% | 0.866 | 82% | 0.821 | S | S | * | * | trans | 43.6 | 108 | 155.6 | -75.6 | -22.7 | 0 | 0 | 0 | 120.1 | ||||
| 318 | Q | 32.6 | Very low | 34.3 | Very low | 199 Ų | 199 | 130.9 Ų | 130.9 | 93% | 0.93 | 82% | 0.816 | S | S | * | * | trans | -142.1 | 172 | 131.5 | -67.4 | -158.2 | 39.9 | 0 | 0 | 109.5 | ||||
| 319 | N | 29.8 | Very low | 34.7 | Very low | 163 Ų | 163 | 130.2 Ų | 130.2 | 87% | 0.872 | 81% | 0.811 | S | S | * | * | trans | -114.6 | -174.5 | -161.2 | -128.5 | 2.1 | 0 | 0 | 0 | 113 | ||||
| 320 | P | 55.6 | Low | 35 | Very low | 108 Ų | 108 | 136.1 Ų | 136.1 | 70% | 0.701 | 82% | 0.816 | S | S | * | * | trans | -84.2 | -171.6 | -160.2 | 41.7 | -44.4 | 0 | 0 | 0 | 113.5 | ||||
| 321 | P | 41.5 | Very low | 35.3 | Very low | 128 Ų | 128 | 134.3 Ų | 134.3 | 83% | 0.831 | 81% | 0.813 | S | S | * | * | cis | -143.5 | -175.5 | 13.2 | 44.7 | -25.6 | 0 | 0 | 0 | 117.9 | ||||
| 322 | G | 27.3 | Very low | 35.3 | Very low | 65 Ų | 65 | 134.9 Ų | 134.9 | 67% | 0.67 | 82% | 0.816 | S | S | * | * | trans | 158.6 | 114.8 | 154 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 323 | M | 27.8 | Very low | 34.8 | Very low | 181 Ų | 181 | 139.4 Ų | 139.4 | 89% | 0.892 | 82% | 0.819 | S | S | * | * | trans | 53.8 | 126.1 | 140.3 | -57.4 | -63.4 | 99.5 | 0 | 0 | 123.8 | ||||
| 324 | Y | 33.5 | Very low | 34.7 | Very low | 222 Ų | 222 | 138.5 Ų | 138.5 | 87% | 0.871 | 81% | 0.806 | S | S | * | * | trans | -76.7 | 163.3 | 146.9 | -77.9 | -84 | 0 | 0 | 0 | 109.7 | ||||
| 325 | P | 47.8 | Very low | 34.9 | Very low | 112 Ų | 112 | 141.6 Ų | 141.6 | 73% | 0.727 | 81% | 0.809 | S | S | * | * | -161.1 | 173.4 | 52 | 46.1 | -23.4 | 0 | 0 | 0 | 121.3 | |||||
| 326 | V | 31.3 | Very low | 35 | Very low | 123 Ų | 123 | 143.1 Ų | 143.1 | 75% | 0.745 | 80% | 0.801 | S | S | * | * | trans | 48.4 | 111.3 | 134.6 | 176 | 0 | 0 | 0 | 0 | 123 | ||||
| 327 | T | 32.8 | Very low | 36.4 | Very low | 140 Ų | 140 | 144.9 Ų | 144.9 | 86% | 0.859 | 80% | 0.799 | S | S | * | * | trans | 44.4 | 136.6 | 143.5 | 69 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 328 | G | 30.9 | Very low | 36.6 | Very low | 73 Ų | 73 | 143.3 Ų | 143.3 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | trans | -168.7 | 152.9 | 159.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 329 | P | 49 | Very low | 36.6 | Very low | 113 Ų | 113 | 139.1 Ų | 139.1 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | trans | -139 | 157.8 | -165.3 | 41.6 | -23.6 | 0 | 0 | 0 | 119.8 | ||||
| 330 | K | 33.4 | Very low | 36.8 | Very low | 198 Ų | 198 | 135.3 Ų | 135.3 | 86% | 0.861 | 78% | 0.78 | S | S | * | * | trans | 66.6 | 168.2 | 155.1 | -66.2 | 165.1 | -177.5 | 171.7 | 0 | 116.2 | ||||
| 331 | K | 35.8 | Very low | 36.6 | Very low | 188 Ų | 188 | 135.5 Ų | 135.5 | 82% | 0.817 | 78% | 0.781 | S | S | * | * | cis | -156.1 | 164.2 | -4.8 | -138.4 | -173.4 | 177.3 | -168 | 0 | 111.4 | ||||
| 332 | T | 30.2 | Very low | 36 | Very low | 138 Ų | 138 | 135.6 Ų | 135.6 | 85% | 0.847 | 78% | 0.783 | S | S | * | * | trans | -134.8 | 176.3 | 168.5 | 11.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 333 | Y | 31 | Very low | 36.2 | Very low | 213 Ų | 213 | 136.9 Ų | 136.9 | 84% | 0.835 | 79% | 0.787 | S | S | * | * | trans | -164 | 156.1 | -160 | 147.3 | -66.2 | 0 | 0 | 0 | 110.9 | ||||
| 334 | I | 39.4 | Very low | 37.6 | Very low | 114 Ų | 114 | 133.9 Ų | 133.9 | 59% | 0.585 | 78% | 0.781 | S | S | * | * | cis | -170.4 | 148 | -32.3 | -162.4 | 171.5 | 0 | 0 | 0 | 108.8 | ||||
| 335 | T | 32.7 | Very low | 38.2 | Very low | 146 Ų | 146 | 129.6 Ų | 129.6 | 90% | 0.896 | 78% | 0.781 | S | S | * | * | trans | -163.4 | 147.1 | 151.2 | 25.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 336 | D | 33.9 | Very low | 37.4 | Very low | 145 Ų | 145 | 132.4 Ų | 132.4 | 78% | 0.775 | 79% | 0.789 | S | S | * | * | trans | -144.1 | -172.1 | -172.3 | -114.1 | -48.4 | 0 | 0 | 0 | 108.4 | ||||
| 337 | P | 57.7 | Low | 37.6 | Very low | 111 Ų | 111 | 134.6 Ų | 134.6 | 72% | 0.721 | 79% | 0.791 | S | S | * | * | cis | -118.3 | -152.1 | -5.7 | 34 | -11.3 | 0 | 0 | 0 | 111.1 | ||||
| 338 | V | 33.9 | Very low | 38.2 | Very low | 130 Ų | 130 | 134.2 Ų | 134.2 | 79% | 0.788 | 79% | 0.791 | S | S | * | * | cis | -162.1 | 169.5 | 9.7 | 81.3 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 339 | S | 33.5 | Very low | 38.3 | Very low | 110 Ų | 110 | 140.7 Ų | 140.7 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | cis | -157 | -174.6 | 5.7 | -161.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 340 | A | 33.3 | Very low | 37.4 | Very low | 84 Ų | 84 | 139.2 Ų | 139.2 | 69% | 0.694 | 80% | 0.804 | S | S | * | * | trans | -147 | -168.6 | 170 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 341 | P | 51.2 | Low | 37.3 | Very low | 112 Ų | 112 | 132.7 Ų | 132.7 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | cis | -146.8 | -169.4 | 7.4 | 45.3 | -24.7 | 0 | 0 | 0 | 118.3 | ||||
| 342 | C | 28.9 | Very low | 37.1 | Very low | 129 Ų | 129 | 132.5 Ų | 132.5 | 87% | 0.872 | 79% | 0.794 | S | S | * | * | trans | 82.4 | 163.7 | 152.1 | -69.8 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 343 | A | 32.8 | Very low | 37.2 | Very low | 93 Ų | 93 | 131.9 Ų | 131.9 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | trans | -155.6 | -168.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 344 | P | 55.9 | Low | 37.2 | Very low | 118 Ų | 118 | 125.7 Ų | 125.7 | 77% | 0.766 | 80% | 0.796 | S | S | * | * | -107 | -173.9 | -55.5 | 40.8 | -29.8 | 0 | 0 | 0 | 111.5 | |||||
| 345 | P | 47.7 | Very low | 37.2 | Very low | 132 Ų | 132 | 129 Ų | 129 | 86% | 0.857 | 81% | 0.809 | S | S | * | * | trans | -147.5 | -171.9 | 139.7 | 37.8 | -20.2 | 0 | 0 | 0 | 116.3 | ||||
| 346 | L | 30.8 | Very low | 37.3 | Very low | 171 Ų | 171 | 129.9 Ų | 129.9 | 90% | 0.895 | 81% | 0.807 | S | S | * | * | trans | -109.2 | -176.2 | -169.9 | -73.7 | 164.4 | 0 | 0 | 0 | 114.9 | ||||
| 347 | Q | 35.3 | Very low | 37.4 | Very low | 169 Ų | 169 | 126.3 Ų | 126.3 | 79% | 0.79 | 81% | 0.805 | S | S | * | * | trans | -47.7 | 167.9 | 178.1 | -56.8 | 177.1 | -18.7 | 0 | 0 | 117.9 | ||||
| 348 | P | 45.2 | Very low | 37.2 | Very low | 132 Ų | 132 | 126.8 Ų | 126.8 | 86% | 0.857 | 81% | 0.808 | S | S | * | * | trans | -125.7 | 169.6 | 133.6 | 38.2 | -30.2 | 0 | 0 | 0 | 114.9 | ||||
| 349 | K | 33.1 | Very low | 37.7 | Very low | 209 Ų | 209 | 126 Ų | 126 | 91% | 0.909 | 81% | 0.809 | S | S | * | * | trans | -105.5 | 153.1 | -179.1 | -82.9 | -176.9 | 173.5 | 179.6 | 0 | 113.7 | ||||
| 350 | G | 30 | Very low | 38.1 | Very low | 82 Ų | 82 | 126.5 Ų | 126.5 | 85% | 0.845 | 81% | 0.812 | S | S | * | * | trans | 162.5 | 151.5 | 159.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 351 | G | 30.6 | Very low | 38.5 | Very low | 61 Ų | 61 | 129.1 Ų | 129.1 | 63% | 0.629 | 82% | 0.819 | S | S | * | * | cis | 167.9 | 104.4 | -9.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 352 | H | 32.4 | Very low | 38.2 | Very low | 184 Ų | 184 | 127.6 Ų | 127.6 | 85% | 0.852 | 82% | 0.816 | S | S | * | * | trans | 81.5 | 131.5 | 156.9 | -46.2 | -75 | 0 | 0 | 0 | 122.3 | ||||
| 353 | S | 32.1 | Very low | 39.2 | Very low | 124 Ų | 124 | 126.6 Ų | 126.6 | 87% | 0.867 | 81% | 0.808 | S | S | * | * | trans | 55 | 127.8 | 143.2 | 59 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 354 | G | 30.8 | Very low | 40.1 | Very low | 83 Ų | 83 | 126.7 Ų | 126.7 | 86% | 0.856 | 80% | 0.803 | S | S | * | * | trans | 170.9 | 114.8 | 161.6 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 355 | Q | 39.9 | Very low | 40.1 | Very low | 185 Ų | 185 | 129.4 Ų | 129.4 | 86% | 0.864 | 80% | 0.803 | S | S | * | * | trans | -91.9 | 166.8 | -170.2 | -167 | 175 | 17.6 | 0 | 0 | 113.3 | ||||
| 356 | L | 34.4 | Very low | 41.1 | Very low | 163 Ų | 163 | 129.3 Ų | 129.3 | 85% | 0.853 | 79% | 0.785 | S | S | * | * | trans | 96.5 | 141.6 | 167.6 | -53.1 | 172.7 | 0 | 0 | 0 | 117.2 | ||||
| 357 | G | 36.3 | Very low | 42.7 | Very low | 71 Ų | 71 | 125.8 Ų | 125.8 | 73% | 0.732 | 77% | 0.773 | S | S | * | * | trans | -114.5 | -155.9 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 358 | P | 53.5 | Low | 44.5 | Very low | 121 Ų | 121 | 122.6 Ų | 122.6 | 79% | 0.786 | 76% | 0.758 | S | S | * | * | cis | -131.3 | 176.1 | 14 | 43 | -28 | 0 | 0 | 0 | 116 | ||||
| 359 | S | 43.8 | Very low | 46.1 | Very low | 113 Ų | 113 | 120.1 Ų | 120.1 | 79% | 0.79 | 74% | 0.738 | S | S | * | * | trans | 50 | 107.2 | 149.5 | -60.5 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 360 | S | 41.7 | Very low | 48.4 | Very low | 121 Ų | 121 | 116.7 Ų | 116.7 | 85% | 0.846 | 73% | 0.725 | S | S | * | * | trans | -145.7 | 110.9 | 133.7 | -56.2 | 0 | 0 | 0 | 0 | 110.1 | A362 | S360-A362 PolarHBondContact O-N 2.67Š| ||
| 361 | V | 42.8 | Very low | 50.7 | Low | 139 Ų | 139 | 117.8 Ų | 117.8 | 84% | 0.842 | 71% | 0.711 | S | S | * | * | trans | 12.8 | 101 | 158.1 | -171 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 362 | A | 43.6 | Very low | 53.3 | Low | 79 Ų | 79 | 121.4 Ų | 121.4 | 65% | 0.653 | 71% | 0.711 | S | S | * | * | trans | -63.4 | 139.5 | 150.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | S360 S364 | S360-A362 PolarHBondContact O-N 2.67Å; A362-S364 PolarHBondContact O-N 3.28Å | ||
| 363 | P | 50.1 | Low | 55.6 | Low | 109 Ų | 109 | 119.3 Ų | 119.3 | 71% | 0.708 | 70% | 0.701 | S | S | * | * | trans | -64.3 | 106.8 | 168 | 27.9 | -31.8 | 0 | 0 | 0 | 107.4 | F365 | P363-F365 PolarHBondContact O-N 3.03Š| ||
| 364 | S | 52.5 | Low | 58 | Low | 95 Ų | 95 | 117.9 Ų | 117.9 | 66% | 0.664 | 68% | 0.684 | S | S | * | * | trans | -57.7 | 107.9 | 166.9 | -56.1 | 0 | 0 | 0 | 0 | 107.1 | A362 R366 | A362-S364 PolarHBondContact O-N 3.28Å; S364-R366 WeakPolarHBondContact O-CG 3.26Å; S364-R366 PolarHBondContact O-N 3.46Å | ||
| 365 | F | 55.1 | Low | 60.7 | Low | 175 Ų | 175 | 117 Ų | 117 | 77% | 0.768 | 66% | 0.662 | S | S | * | * | trans | -55.8 | 110.4 | 162.1 | -89.3 | -93.1 | 0 | 0 | 0 | 106.1 | P363 | P363-F365 PolarHBondContact O-N 3.03Š| ||
| 366 | R | 68.7 | Low | 62.9 | Low | 129 Ų | 129 | 115.3 Ų | 115.3 | 49% | 0.487 | 65% | 0.652 | S | S | . | * | trans | -79.7 | 140.2 | -176.5 | -50 | -142.3 | 78.8 | -155.2 | -0.1 | 106.4 | S364 E368 D369 E370 | S364-R366 WeakPolarHBondContact O-CG 3.26Å; S364-R366 PolarHBondContact O-N 3.46Å; R366-E368 HydrophobicContact CB-CB 3.81Å; R366-E368 HydrophobicContact CB-CG 4.28Å; R366-E368 WeakPolarHBondContact CD-OE2 3.45Å; R366-E368 IonicContact CZ-OE1 3.62Å; R366-E368 IonicContact CZ-OE2 3.46Å; R366-E368 IonicContact NE-OE1 2.7Å; R366-E368 PolarHBondContact NE-OE1 3.43Å; R366-E368 IonicContact NE-OE2 2.66Å; R366-E368 IonicContact NH1-OE1 3.6Å; R366-E368 PolarHBondContact NH1-OE1 2.97Å; R366-E368 IonicContact NH1-OE2 3.47Å; R366-E368 PolarHBondContact NH1-OE2 2.99Å; R366-E368 IonicContact NH2-OE1 3.78Å; R366-E368 PolarHBondContact NH2-OE1 2.87Å; R366-E368 PolarHBondContact O-N 2.95Å; R366-D369 VanDerWaalsContact CB-OD2 3.26Å; R366-D369 WeakPolarHBondContact CB-OD2 3.33Å; R366-D369 WeakPolarHBondContact CG-OD2 3.36Å; R366-D369 PolarHBondContact N-OD2 3.35Å; R366-D369 WeakPolarHBondContact O-CB 3.43Å; R366-D369 PolarHBondContact O-N 3.22Å; R366-E370 PolarHBondContact O-N 3.33Å | ||
| 367 | P | 64.8 | Low | 65 | Low | 97 Ų | 97 | 112.8 Ų | 112.8 | 63% | 0.63 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -56.1 | -22.2 | 167.1 | -24.8 | 35.4 | 0 | 0 | 0 | 111.8 | L371 | P367-L371 VanDerWaalsContact O-CB 3.26Å; P367-L371 WeakPolarHBondContact O-CB 3.12Å; P367-L371 PolarHBondContact O-N 3.03Å |
| 368 | E | 73.6 | Confident | 67.1 | Low | 102 Ų | 102 | 115.4 Ų | 115.4 | 48% | 0.477 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -55.9 | -49.2 | 166 | -60 | 136.2 | -113.7 | 0 | 0 | 112.5 | R366 E370 L371 E372 | R366-E368 HydrophobicContact CB-CB 3.81Å; R366-E368 HydrophobicContact CB-CG 4.28Å; R366-E368 WeakPolarHBondContact CD-OE2 3.45Å; R366-E368 IonicContact CZ-OE1 3.62Å; R366-E368 IonicContact CZ-OE2 3.46Å; R366-E368 IonicContact NE-OE1 2.7Å; R366-E368 PolarHBondContact NE-OE1 3.43Å; R366-E368 IonicContact NE-OE2 2.66Å; R366-E368 IonicContact NH1-OE1 3.6Å; R366-E368 PolarHBondContact NH1-OE1 2.97Å; R366-E368 IonicContact NH1-OE2 3.47Å; R366-E368 PolarHBondContact NH1-OE2 2.99Å; R366-E368 IonicContact NH2-OE1 3.78Å; R366-E368 PolarHBondContact NH2-OE1 2.87Å; R366-E368 PolarHBondContact O-N 2.95Å; E368-E370 PolarHBondContact O-N 3.35Å; E368-L371 PolarHBondContact O-N 3.12Å; E368-E372 VanDerWaalsContact O-CB 3.27Å; E368-E372 WeakPolarHBondContact O-CB 3.25Å; E368-E372 PolarHBondContact O-N 3.42Å |
| 369 | D | 78.7 | Confident | 68.4 | Low | 81 Ų | 81 | 114.1 Ų | 114.1 | 43% | 0.433 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -65.1 | -39.6 | 179.7 | -59.3 | -66.5 | 0 | 0 | 0 | 112 | R366 E372 H373 | R366-D369 VanDerWaalsContact CB-OD2 3.26Å; R366-D369 WeakPolarHBondContact CB-OD2 3.33Å; R366-D369 WeakPolarHBondContact CG-OD2 3.36Å; R366-D369 PolarHBondContact N-OD2 3.35Å; R366-D369 WeakPolarHBondContact O-CB 3.43Å; R366-D369 PolarHBondContact O-N 3.22Å; D369-E372 PolarHBondContact O-N 2.98Å; D369-H373 VanDerWaalsContact O-CB 3.26Å; D369-H373 WeakPolarHBondContact O-CB 3.43Å; D369-H373 PolarHBondContact O-N 3.23Å |
| 370 | E | 80.9 | Confident | 70.1 | Confident | 136 Ų | 136 | 115.6 Ų | 115.6 | 64% | 0.636 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -67.6 | -40.3 | 176.7 | -67.7 | -168.2 | 147.7 | 0 | 0 | 111.5 | R366 E368 L374 | R366-E370 PolarHBondContact O-N 3.33Å; E368-E370 PolarHBondContact O-N 3.35Å; E370-L374 WeakPolarHBondContact O-CB 3.36Å; E370-L374 PolarHBondContact O-N 3.48Å |
| 371 | L | 79.2 | Confident | 71.6 | Confident | 106 Ų | 106 | 113.7 Ų | 113.7 | 56% | 0.555 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -69 | -37.5 | 175.8 | -175.3 | 63.5 | 0 | 0 | 0 | 112 | P367 E368 L374 T375 | P367-L371 VanDerWaalsContact O-CB 3.26Å; P367-L371 WeakPolarHBondContact O-CB 3.12Å; P367-L371 PolarHBondContact O-N 3.03Å; E368-L371 PolarHBondContact O-N 3.12Å; L371-L374 PolarHBondContact O-N 3.25Å; L371-T375 WeakPolarHBondContact O-CB 3.24Å; L371-T375 WeakPolarHBondContact O-CG2 3.18Å; L371-T375 PolarHBondContact O-N 2.87Å; L371-T375 PolarHBondContact O-OG1 3.31Å |
| 372 | E | 83.8 | Confident | 72.8 | Confident | 137 Ų | 137 | 113.7 Ų | 113.7 | 64% | 0.64 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -71.9 | -36.9 | 176.8 | -166.4 | 157.7 | -128.8 | 0 | 0 | 111.3 | E368 D369 T375 K376 | E368-E372 VanDerWaalsContact O-CB 3.27Å; E368-E372 WeakPolarHBondContact O-CB 3.25Å; E368-E372 PolarHBondContact O-N 3.42Å; D369-E372 PolarHBondContact O-N 2.98Å; E372-T375 WeakPolarHBondContact CA-OG1 3.22Å; E372-T375 PolarHBondContact O-OG1 2.9Å; E372-K376 WeakPolarHBondContact O-CB 3.12Å; E372-K376 PolarHBondContact O-N 3.12Å |
| 373 | H | 81.3 | Confident | 74.3 | Confident | 139 Ų | 139 | 117.7 Ų | 117.7 | 64% | 0.644 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -67.8 | -39.3 | 170.1 | -173.4 | -135.6 | 0 | 0 | 0 | 112.4 | D369 K377 | D369-H373 VanDerWaalsContact O-CB 3.26Å; D369-H373 WeakPolarHBondContact O-CB 3.43Å; D369-H373 PolarHBondContact O-N 3.23Å; H373-K377 WeakPolarHBondContact O-CB 3.46Å; H373-K377 PolarHBondContact O-N 3.13Å |
| 374 | L | 83 | Confident | 75.2 | Confident | 95 Ų | 95 | 117 Ų | 117 | 50% | 0.497 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -67.4 | -45.6 | 177.1 | -176.1 | 64.6 | 0 | 0 | 0 | 112 | E370 L371 K377 M378 | E370-L374 WeakPolarHBondContact O-CB 3.36Å; E370-L374 PolarHBondContact O-N 3.48Å; L371-L374 PolarHBondContact O-N 3.25Å; L374-K377 WeakPolarHBondContact O-CB 3.45Å; L374-K377 PolarHBondContact O-N 2.87Å; L374-M378 WeakPolarHBondContact O-CG 3.47Å; L374-M378 PolarHBondContact O-N 2.85Å |
| 375 | T | 86.4 | Confident | 75.6 | Confident | 65 Ų | 65 | 115.9 Ų | 115.9 | 40% | 0.399 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -66.2 | -38.7 | 175.2 | 47.8 | 0 | 0 | 0 | 0 | 111.5 | L371 E372 K377 M378 L379 | L371-T375 WeakPolarHBondContact O-CB 3.24Å; L371-T375 WeakPolarHBondContact O-CG2 3.18Å; L371-T375 PolarHBondContact O-N 2.87Å; L371-T375 PolarHBondContact O-OG1 3.31Å; E372-T375 WeakPolarHBondContact CA-OG1 3.22Å; E372-T375 PolarHBondContact O-OG1 2.9Å; T375-K377 VanDerWaalsContact C-N 3.34Å; T375-K377 PolarHBondContact O-N 3.07Å; T375-M378 PolarHBondContact O-N 3.19Å; T375-L379 WeakPolarHBondContact O-CB 3.29Å; T375-L379 VanDerWaalsContact O-CG 3.32Å; T375-L379 WeakPolarHBondContact O-CG 3.34Å; T375-L379 PolarHBondContact O-N 3.19Å |
| 376 | K | 86.3 | Confident | 75.9 | Confident | 149 Ų | 149 | 112.9 Ų | 112.9 | 65% | 0.648 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -63.6 | -36 | 171.8 | -173 | 171.8 | -174.4 | 172.1 | 0 | 112.8 | E372 Y380 | E372-K376 WeakPolarHBondContact O-CB 3.12Å; E372-K376 PolarHBondContact O-N 3.12Å; K376-Y380 WeakPolarHBondContact O-CB 3.27Å; K376-Y380 PolarHBondContact O-N 3.34Å |
| 377 | K | 80.1 | Confident | 75.3 | Confident | 110 Ų | 110 | 111.6 Ų | 111.6 | 48% | 0.478 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -66.9 | -45.2 | 171.6 | -168.6 | -172.3 | 178.3 | -67 | 0 | 111.3 | H373 L374 T375 L379 Y380 D381 | H373-K377 WeakPolarHBondContact O-CB 3.46Å; H373-K377 PolarHBondContact O-N 3.13Å; L374-K377 WeakPolarHBondContact O-CB 3.45Å; L374-K377 PolarHBondContact O-N 2.87Å; T375-K377 VanDerWaalsContact C-N 3.34Å; T375-K377 PolarHBondContact O-N 3.07Å; K377-L379 VanDerWaalsContact C-N 3.32Å; K377-L379 PolarHBondContact O-N 2.93Å; K377-Y380 PolarHBondContact O-N 3.43Å; K377-D381 IonicContact NZ-OD1 3.5Å; K377-D381 IonicContact NZ-OD2 2.96Å; K377-D381 PolarHBondContact NZ-OD2 2.78Å; K377-D381 WeakPolarHBondContact O-CB 3.22Å; K377-D381 VanDerWaalsContact O-CG 3.22Å; K377-D381 PolarHBondContact O-N 3.36Å |
| 378 | M | 78.9 | Confident | 75.1 | Confident | 125 Ų | 125 | 112 Ų | 112 | 62% | 0.616 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -64.7 | -35.2 | 177 | -71.6 | -174.8 | 69.6 | 0 | 0 | 112.6 | L374 T375 M382 | L374-M378 WeakPolarHBondContact O-CG 3.47Å; L374-M378 PolarHBondContact O-N 2.85Å; T375-M378 PolarHBondContact O-N 3.19Å; M378-M382 VanDerWaalsContact O-CB 3.27Å; M378-M382 WeakPolarHBondContact O-CB 3.35Å; M378-M382 PolarHBondContact O-N 2.98Å; M378-M382 VanDerWaalsContact O-N 3.11Å |
| 379 | L | 82.3 | Confident | 74.8 | Confident | 95 Ų | 95 | 112.9 Ų | 112.9 | 50% | 0.497 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -63.8 | -47.4 | 170.1 | -75.5 | 165.7 | 0 | 0 | 0 | 110.6 | T375 K377 D381 M382 E383 | T375-L379 WeakPolarHBondContact O-CB 3.29Å; T375-L379 VanDerWaalsContact O-CG 3.32Å; T375-L379 WeakPolarHBondContact O-CG 3.34Å; T375-L379 PolarHBondContact O-N 3.19Å; K377-L379 VanDerWaalsContact C-N 3.32Å; K377-L379 PolarHBondContact O-N 2.93Å; L379-D381 PolarHBondContact O-N 2.63Å; L379-M382 HydrophobicContact CD2-CE 4.38Å; L379-M382 CarbonylContact O-C 3.59Å; L379-M382 PolarHBondContact O-N 3.01Å; L379-M382 VanDerWaalsContact O-N 3.14Å; L379-E383 VanDerWaalsContact O-CB 3.22Å; L379-E383 WeakPolarHBondContact O-CB 3.43Å; L379-E383 PolarHBondContact O-N 3.45Å |
| 380 | Y | 78.5 | Confident | 74.9 | Confident | 144 Ų | 144 | 115.2 Ų | 115.2 | 57% | 0.565 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -62.2 | -43 | 176.6 | -172.7 | -98.1 | 0 | 0 | 0 | 112.7 | K376 K377 M382 E383 N384 | K376-Y380 WeakPolarHBondContact O-CB 3.27Å; K376-Y380 PolarHBondContact O-N 3.34Å; K377-Y380 PolarHBondContact O-N 3.43Å; Y380-M382 PolarHBondContact O-N 3.44Å; Y380-E383 PolarHBondContact O-N 3.49Å; Y380-N384 HydrophobicContact CD2-CB 4.4Å; Y380-N384 HydrophobicContact CE1-CB 4.26Å; Y380-N384 HydrophobicContact CE2-CB 4.1Å; Y380-N384 WeakPolarHBondContact O-CA 3.41Å; Y380-N384 VanDerWaalsContact O-CB 3.22Å; Y380-N384 WeakPolarHBondContact O-CB 3.41Å; Y380-N384 PolarHBondContact O-N 2.89Å |
| 381 | D | 72.6 | Confident | 74.8 | Confident | 80 Ų | 80 | 111.7 Ų | 111.7 | 43% | 0.428 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -66.4 | -21 | 177 | -65.9 | -24.6 | 0 | 0 | 0 | 112.1 | K377 L379 | K377-D381 IonicContact NZ-OD1 3.5Å; K377-D381 IonicContact NZ-OD2 2.96Å; K377-D381 PolarHBondContact NZ-OD2 2.78Å; K377-D381 WeakPolarHBondContact O-CB 3.22Å; K377-D381 VanDerWaalsContact O-CG 3.22Å; K377-D381 PolarHBondContact O-N 3.36Å; L379-D381 PolarHBondContact O-N 2.63Å |
| 382 | M | 68.2 | Low | 75.1 | Confident | 139 Ų | 139 | 107.3 Ų | 107.3 | 69% | 0.685 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -94.3 | -34.2 | 177.2 | -171.1 | -168.9 | 77.7 | 0 | 0 | 113.6 | M378 L379 Y380 | M378-M382 VanDerWaalsContact O-CB 3.27Å; M378-M382 WeakPolarHBondContact O-CB 3.35Å; M378-M382 PolarHBondContact O-N 2.98Å; M378-M382 VanDerWaalsContact O-N 3.11Å; L379-M382 HydrophobicContact CD2-CE 4.38Å; L379-M382 CarbonylContact O-C 3.59Å; L379-M382 PolarHBondContact O-N 3.01Å; L379-M382 VanDerWaalsContact O-N 3.14Å; Y380-M382 PolarHBondContact O-N 3.44Å |
| 383 | E | 74.8 | Confident | 75.4 | Confident | 163 Ų | 163 | 108.4 Ų | 108.4 | 76% | 0.762 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -86.7 | -23.1 | 179.5 | -169.7 | 169.1 | -173.5 | 0 | 0 | 111.8 | L379 Y380 P385 | L379-E383 VanDerWaalsContact O-CB 3.22Å; L379-E383 WeakPolarHBondContact O-CB 3.43Å; L379-E383 PolarHBondContact O-N 3.45Å; Y380-E383 PolarHBondContact O-N 3.49Å; E383-P385 WeakPolarHBondContact O-CD 3.32Å |
| 384 | N | 69.1 | Low | 75.8 | Confident | 94 Ų | 94 | 101.8 Ų | 101.8 | 50% | 0.503 | 51% | 0.513 | S | S | . | . | S | Bend | trans | -123.7 | 58.9 | 174.7 | -160.3 | 112.9 | 0 | 0 | 0 | 110.4 | Y380 | Y380-N384 HydrophobicContact CD2-CB 4.4Å; Y380-N384 HydrophobicContact CE1-CB 4.26Å; Y380-N384 HydrophobicContact CE2-CB 4.1Å; Y380-N384 WeakPolarHBondContact O-CA 3.41Å; Y380-N384 VanDerWaalsContact O-CB 3.22Å; Y380-N384 WeakPolarHBondContact O-CB 3.41Å; Y380-N384 PolarHBondContact O-N 2.89Å |
| 385 | P | 62.5 | Low | 76 | Confident | 73 Ų | 73 | 99.8 Ų | 99.8 | 47% | 0.474 | 51% | 0.51 | S | S | . | . | trans | -60.1 | 154.7 | -179.8 | 28.9 | -36.1 | 0 | 0 | 0 | 111 | E383 A387 | E383-P385 WeakPolarHBondContact O-CD 3.32Å; P385-A387 PolarHBondContact O-N 2.88Å | ||
| 386 | P | 60 | Low | 76.1 | Confident | 112 Ų | 112 | 101.8 Ų | 101.8 | 73% | 0.727 | 51% | 0.51 | S | S | * | . | trans | -59.4 | 111.7 | 175.7 | 25 | -33.3 | 0 | 0 | 0 | 109.6 | D388 | P386-D388 CarbonylContact O-C 3.6Å; P386-D388 PolarHBondContact O-N 3.3Å; P386-D388 VanDerWaalsContact O-N 3.11Å | ||
| 387 | A | 56.1 | Low | 76.3 | Confident | 102 Ų | 102 | 97.4 Ų | 97.4 | 84% | 0.843 | 50% | 0.498 | S | S | * | . | S | Bend | trans | -64.8 | -16.6 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | P385 E389 | P385-A387 PolarHBondContact O-N 2.88Å; A387-E389 PolarHBondContact O-N 3.47Å |
| 388 | D | 60.7 | Low | 76.6 | Confident | 104 Ų | 104 | 93.7 Ų | 93.7 | 56% | 0.556 | 49% | 0.491 | S | S | * | . | S | Bend | trans | -77.8 | 91.7 | 164 | -75.9 | -47.9 | 0 | 0 | 0 | 110 | P386 Y390 V402 | P386-D388 CarbonylContact O-C 3.6Å; P386-D388 PolarHBondContact O-N 3.3Å; P386-D388 VanDerWaalsContact O-N 3.11Å; D388-Y390 PolarHBondContact O-N 2.96Å; D388-Y390 VanDerWaalsContact O-N 3.08Å; D388-V402 HydrophobicContact CB-CB 4.09Å; D388-V402 HydrophobicContact CB-CG1 4.33Å |
| 389 | E | 68.4 | Low | 77 | Confident | 122 Ų | 122 | 93.8 Ų | 93.8 | 57% | 0.57 | 49% | 0.49 | S | S | * | . | trans | -51.9 | 119.4 | 168.6 | -73.7 | -164.8 | 151.4 | 0 | 0 | 109.5 | A387 F391 G403 | A387-E389 PolarHBondContact O-N 3.47Å; E389-F391 HydrophobicContact CB-CD2 4.45Å; E389-F391 HydrophobicContact CB-CE1 4.39Å; E389-F391 HydrophobicContact CB-CE2 3.67Å; E389-F391 HydrophobicContact CB-CZ 3.64Å; E389-F391 WeakPolarHBondContact O-CD2 3.22Å; E389-F391 VanDerWaalsContact O-CE2 3.22Å; E389-F391 WeakPolarHBondContact O-CE2 3.38Å; E389-F391 PolarHBondContact O-N 2.66Å; E389-F391 VanDerWaalsContact OE2-CZ 3.24Å; E389-F391 WeakPolarHBondContact OE2-CZ 3.41Å; E389-G403 PolarHBondContact O-N 3.38Å | ||
| 390 | Y | 79.7 | Confident | 77.3 | Confident | 130 Ų | 130 | 92.8 Ų | 92.8 | 51% | 0.51 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 97.6 | -179 | 172.2 | -118.8 | 0 | 0 | 0 | 110 | D388 G392 R393 N400 V402 | D388-Y390 PolarHBondContact O-N 2.96Å; D388-Y390 VanDerWaalsContact O-N 3.08Å; Y390-G392 VanDerWaalsContact C-N 3.26Å; Y390-G392 VanDerWaalsContact CE2-C 3.42Å; Y390-G392 VanDerWaalsContact CE2-O 3.24Å; Y390-G392 WeakPolarHBondContact CE2-O 3.39Å; Y390-G392 VanDerWaalsContact CZ-CA 3.48Å; Y390-G392 PolarHBondContact O-N 2.7Å; Y390-R393 PolarHBondContact OH-N 3.17Å; Y390-N400 HydrophobicContact CD2-CB 4.2Å; Y390-N400 HydrophobicContact CE2-CB 3.67Å; Y390-V402 HydrophobicContact CD2-CG1 4.13Å |
| 391 | F | 79.3 | Confident | 77.7 | Confident | 62 Ų | 62 | 86 Ų | 86 | 27% | 0.272 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | -15.6 | -177.3 | -65.8 | -79 | 0 | 0 | 0 | 113.5 | E389 V401 G403 V414 | E389-F391 HydrophobicContact CB-CD2 4.45Å; E389-F391 HydrophobicContact CB-CE1 4.39Å; E389-F391 HydrophobicContact CB-CE2 3.67Å; E389-F391 HydrophobicContact CB-CZ 3.64Å; E389-F391 WeakPolarHBondContact O-CD2 3.22Å; E389-F391 VanDerWaalsContact O-CE2 3.22Å; E389-F391 WeakPolarHBondContact O-CE2 3.38Å; E389-F391 PolarHBondContact O-N 2.66Å; E389-F391 VanDerWaalsContact OE2-CZ 3.24Å; E389-F391 WeakPolarHBondContact OE2-CZ 3.41Å; F391-V401 HydrophobicContact CB-CB 4.34Å; F391-V401 HydrophobicContact CB-CG1 4.15Å; F391-V401 PolarHBondContact N-O 3.45Å; F391-G403 VanDerWaalsContact CE2-O 3.28Å; F391-G403 WeakPolarHBondContact CE2-O 3.34Å; F391-V414 HydrophobicContact CB-CG1 4.21Å; F391-V414 WeakPolarHBondContact O-CG2 3.39Å |
| 392 | G | 85.4 | Confident | 78.3 | Confident | 13 Ų | 13 | 85.1 Ų | 85.1 | 13% | 0.134 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 128.8 | -171.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y390 V401 | Y390-G392 VanDerWaalsContact C-N 3.26Å; Y390-G392 VanDerWaalsContact CE2-C 3.42Å; Y390-G392 VanDerWaalsContact CE2-O 3.24Å; Y390-G392 WeakPolarHBondContact CE2-O 3.39Å; Y390-G392 VanDerWaalsContact CZ-CA 3.48Å; Y390-G392 PolarHBondContact O-N 2.7Å; G392-V401 WeakPolarHBondContact O-CB 3.33Å; G392-V401 PolarHBondContact O-N 3.19Å |
| 393 | R | 89.3 | Confident | 78.7 | Confident | 160 Ų | 160 | 79 Ų | 79 | 60% | 0.604 | 43% | 0.428 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 133.1 | 177.2 | 180 | 170 | -73.1 | -163.6 | -5.3 | 111.2 | Y390 A395 G398 | Y390-R393 PolarHBondContact OH-N 3.17Å; R393-A395 PolarHBondContact O-N 3.46Å; R393-G398 WeakPolarHBondContact CD-O 3.36Å; R393-G398 WeakPolarHBondContact CG-O 3.41Å; R393-G398 PolarHBondContact NE-O 2.82Å; R393-G398 VanDerWaalsContact NE-O 3.11Å |
| 394 | C | 90.3 | Very high | 78.6 | Confident | 1 Ų | 1 | 78.7 Ų | 78.7 | 1% | 0.007 | 43% | 0.427 | C | S | . | . | B | Isolated β-bridge | trans | -67.9 | 118.3 | 177 | 179.3 | 0 | 0 | 0 | 0 | 111.3 | R396 C397 G398 E399 V401 V414 | C394-R396 PolarHBondContact O-N 3.04Å; C394-R396 VanDerWaalsContact O-N 3.07Å; C394-C397 VanDerWaalsContact CB-SG 3.55Å; C394-C397 VanDerWaalsContact SG-SG 3.61Å; C394-G398 WeakPolarHBondContact O-CA 3.26Å; C394-G398 PolarHBondContact O-N 3.38Å; C394-E399 WeakPolarHBondContact CB-O 3.27Å; C394-E399 PolarHBondContact N-O 2.96Å; C394-V401 HydrophobicContact CB-CG2 3.7Å; C394-V414 CarbonylContact C-O 3.53Å; C394-V414 VanDerWaalsContact CA-O 3.29Å; C394-V414 WeakPolarHBondContact CA-O 3.43Å |
| 395 | A | 87.8 | Confident | 78.8 | Confident | 52 Ų | 52 | 76.3 Ų | 76.3 | 43% | 0.43 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -8.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | R393 Q413 V414 F415 | R393-A395 PolarHBondContact O-N 3.46Å; A395-Q413 HydrophobicContact CB-CB 3.89Å; A395-Q413 HydrophobicContact CB-CG 4.08Å; A395-V414 PolarHBondContact N-O 3.47Å; A395-F415 HydrophobicContact CB-CD1 4.44Å; A395-F415 HydrophobicContact CB-CE1 3.82Å; A395-F415 HydrophobicContact CB-CZ 3.87Å |
| 396 | R | 87.5 | Confident | 79.7 | Confident | 107 Ų | 107 | 75.7 Ų | 75.7 | 40% | 0.404 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | -43.3 | 175.7 | -171.8 | 173.2 | -139.7 | 160.6 | -2.8 | 114.4 | C394 F415 C419 T421 | C394-R396 PolarHBondContact O-N 3.04Å; C394-R396 VanDerWaalsContact O-N 3.07Å; R396-F415 HydrophobicContact CB-CD1 4.06Å; R396-F415 HydrophobicContact CB-CE1 4.16Å; R396-C419 HydrophobicContact CB-CB 4.12Å; R396-C419 WeakPolarHBondContact CD-O 3.4Å; R396-C419 PolarHBondContact NH1-O 3.27Å; R396-T421 PolarHBondContact NH1-O 2.95Å; R396-T421 PolarHBondContact NH1-OG1 2.9Å; R396-T421 PolarHBondContact NH2-OG1 3.01Å |
| 397 | C | 90.2 | Very high | 80.9 | Confident | 58 Ų | 58 | 71.4 Ų | 71.4 | 39% | 0.392 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | -8.5 | -175.4 | 70.1 | 0 | 0 | 0 | 0 | 114.2 | C394 E399 H416 | C394-C397 VanDerWaalsContact CB-SG 3.55Å; C394-C397 VanDerWaalsContact SG-SG 3.61Å; C397-E399 PolarHBondContact O-N 2.93Å; C397-H416 PolarHBondContact SG-ND1 3.25Å; C397-H416 VanDerWaalsContact SG-ND1 3.37Å |
| 398 | G | 86.8 | Confident | 82.3 | Confident | 32 Ų | 32 | 68.3 Ų | 68.3 | 33% | 0.33 | 37% | 0.367 | S | S | . | . | trans | 78.9 | -9.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | R393 C394 | R393-G398 WeakPolarHBondContact CD-O 3.36Å; R393-G398 WeakPolarHBondContact CG-O 3.41Å; R393-G398 PolarHBondContact NE-O 2.82Å; R393-G398 VanDerWaalsContact NE-O 3.11Å; C394-G398 WeakPolarHBondContact O-CA 3.26Å; C394-G398 PolarHBondContact O-N 3.38Å | ||
| 399 | E | 88.8 | Confident | 83.5 | Confident | 126 Ų | 126 | 68.3 Ų | 68.3 | 59% | 0.589 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -84 | 160 | -179.2 | -61.6 | -53.5 | 146 | 0 | 0 | 113.6 | C394 C397 | C394-E399 WeakPolarHBondContact CB-O 3.27Å; C394-E399 PolarHBondContact N-O 2.96Å; C397-E399 PolarHBondContact O-N 2.93Å |
| 400 | N | 87.2 | Confident | 84.3 | Confident | 75 Ų | 75 | 63.1 Ų | 63.1 | 40% | 0.401 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 129.6 | 178.7 | -74.1 | 18 | 0 | 0 | 0 | 111.4 | Y390 | Y390-N400 HydrophobicContact CD2-CB 4.2Å; Y390-N400 HydrophobicContact CE2-CB 3.67Å |
| 401 | V | 87.8 | Confident | 84.6 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 118.8 | 174.6 | -173 | 0 | 0 | 0 | 0 | 108.5 | F391 G392 C394 G407 V414 | F391-V401 HydrophobicContact CB-CB 4.34Å; F391-V401 HydrophobicContact CB-CG1 4.15Å; F391-V401 PolarHBondContact N-O 3.45Å; G392-V401 WeakPolarHBondContact O-CB 3.33Å; G392-V401 PolarHBondContact O-N 3.19Å; C394-V401 HydrophobicContact CB-CG2 3.7Å; V401-G407 VanDerWaalsContact CG1-CA 3.48Å; V401-V414 HydrophobicContact CB-CG1 4.1Å; V401-V414 HydrophobicContact CG1-CG1 4.28Å; V401-V414 HydrophobicContact CG2-CG1 3.91Å |
| 402 | V | 85 | Confident | 84.8 | Confident | 62 Ų | 62 | 63.7 Ų | 63.7 | 38% | 0.376 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 147.9 | -172 | -79.5 | 0 | 0 | 0 | 0 | 111.3 | D388 Y390 T406 | D388-V402 HydrophobicContact CB-CB 4.09Å; D388-V402 HydrophobicContact CB-CG1 4.33Å; Y390-V402 HydrophobicContact CD2-CG1 4.13Å; V402-T406 WeakPolarHBondContact O-CG2 3.29Å; V402-T406 PolarHBondContact O-OG1 3Å |
| 403 | G | 76.3 | Confident | 84.9 | Confident | 10 Ų | 10 | 65.8 Ų | 65.8 | 10% | 0.103 | 37% | 0.369 | C | S | . | . | S | Bend | trans | 83.5 | 147.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | E389 F391 G405 T406 | E389-G403 PolarHBondContact O-N 3.38Å; F391-G403 VanDerWaalsContact CE2-O 3.28Å; F391-G403 WeakPolarHBondContact CE2-O 3.34Å; G403-G405 PolarHBondContact O-N 3.31Å; G403-T406 PolarHBondContact O-N 2.86Å; G403-T406 PolarHBondContact O-OG1 2.83Å |
| 404 | E | 72.4 | Confident | 84.9 | Confident | 158 Ų | 158 | 59.3 Ų | 59.3 | 74% | 0.738 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | 130.9 | -170.6 | -165.8 | -179.1 | -178.2 | 0 | 0 | 112.6 | T406 | E404-T406 PolarHBondContact O-N 3.16Å; E404-T406 VanDerWaalsContact O-N 3.16Å |
| 405 | G | 73.1 | Confident | 84.9 | Confident | 43 Ų | 43 | 60.4 Ų | 60.4 | 44% | 0.443 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73 | 0.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | G403 R430 | G403-G405 PolarHBondContact O-N 3.31Å; G405-R430 PolarHBondContact O-NH1 3.39Å; G405-R430 VanDerWaalsContact O-NH1 3.1Å |
| 406 | T | 81.8 | Confident | 85.1 | Confident | 60 Ų | 60 | 60 Ų | 60 | 37% | 0.368 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -76.6 | -27.7 | 174.1 | 71.7 | 0 | 0 | 0 | 0 | 112.5 | V402 G403 E404 V417 | V402-T406 WeakPolarHBondContact O-CG2 3.29Å; V402-T406 PolarHBondContact O-OG1 3Å; G403-T406 PolarHBondContact O-N 2.86Å; G403-T406 PolarHBondContact O-OG1 2.83Å; E404-T406 PolarHBondContact O-N 3.16Å; E404-T406 VanDerWaalsContact O-N 3.16Å; T406-V417 WeakPolarHBondContact O-CG2 3.42Å; T406-V417 PolarHBondContact O-N 3.35Å |
| 407 | G | 84.6 | Confident | 85.1 | Confident | 22 Ų | 22 | 55.9 Ų | 55.9 | 23% | 0.227 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 159.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | V401 F415 | V401-G407 VanDerWaalsContact CG1-CA 3.48Å; G407-F415 CarbonylContact C-O 3.57Å; G407-F415 WeakPolarHBondContact CA-O 3.47Å |
| 408 | C | 86.5 | Confident | 85 | Confident | 37 Ų | 37 | 57.9 Ų | 57.9 | 25% | 0.25 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 134.9 | 162.7 | 57.1 | 0 | 0 | 0 | 0 | 110.2 | F415 | C408-F415 PolarHBondContact N-O 3.45Å; C408-F415 PolarHBondContact O-N 3Å |
| 409 | T | 86.3 | Confident | 85.1 | Confident | 105 Ų | 105 | 57.6 Ų | 57.6 | 64% | 0.644 | 33% | 0.327 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95 | 125.5 | 177.2 | -52.2 | 0 | 0 | 0 | 0 | 109.8 | Q413 | T409-Q413 CarbonylContact C-O 3.6Å; T409-Q413 WeakPolarHBondContact CA-O 3.24Å |
| 410 | A | 84.3 | Confident | 85.2 | Confident | 13 Ų | 13 | 52.1 Ų | 52.1 | 11% | 0.107 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 141.4 | 179 | 0 | 0 | 0 | 0 | 0 | 110.3 | D412 Q413 F420 F434 | A410-D412 VanDerWaalsContact C-N 3.27Å; A410-D412 PolarHBondContact O-N 3.17Å; A410-Q413 PolarHBondContact N-O 3.2Å; A410-Q413 PolarHBondContact O-N 3.45Å; A410-Q413 VanDerWaalsContact O-N 3.13Å; A410-F420 HydrophobicContact CB-CD2 4.37Å; A410-F420 HydrophobicContact CB-CE2 3.65Å; A410-F420 HydrophobicContact CB-CZ 3.87Å; A410-F434 HydrophobicContact CB-CZ 4.27Å |
| 411 | M | 85 | Confident | 85.5 | Confident | 36 Ų | 36 | 49.2 Ų | 49.2 | 18% | 0.177 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 53.1 | 44.9 | -178 | -45.7 | -177.4 | -150.6 | 0 | 0 | 112.7 | Q413 F434 A436 K439 A441 | M411-Q413 PolarHBondContact O-N 3.45Å; M411-Q413 VanDerWaalsContact O-N 3.07Å; M411-Q413 PolarHBondContact O-NE2 2.97Å; M411-F434 HydrophobicContact CE-CD2 4.06Å; M411-F434 HydrophobicContact CE-CE2 3.85Å; M411-A436 HydrophobicContact CE-CB 3.6Å; M411-A436 HydrophobicContact CG-CB 3.85Å; M411-A436 HydrophobicContact SD-CB 3.64Å; M411-K439 VanDerWaalsContact SD-C 3.56Å; M411-A441 HydrophobicContact CE-CB 3.65Å |
| 412 | D | 85.4 | Confident | 85.8 | Confident | 167 Ų | 167 | 49.2 Ų | 49.2 | 89% | 0.893 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.3 | 24.1 | -179 | -44.2 | -42.8 | 0 | 0 | 0 | 114.2 | A410 | A410-D412 VanDerWaalsContact C-N 3.27Å; A410-D412 PolarHBondContact O-N 3.17Å |
| 413 | Q | 87.7 | Confident | 86 | Confident | 57 Ų | 57 | 50.2 Ų | 50.2 | 27% | 0.266 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 148.7 | -177.6 | -75.3 | 161.2 | 101.3 | 0 | 0 | 110.4 | A395 T409 A410 M411 F415 | A395-Q413 HydrophobicContact CB-CB 3.89Å; A395-Q413 HydrophobicContact CB-CG 4.08Å; T409-Q413 CarbonylContact C-O 3.6Å; T409-Q413 WeakPolarHBondContact CA-O 3.24Å; A410-Q413 PolarHBondContact N-O 3.2Å; A410-Q413 PolarHBondContact O-N 3.45Å; A410-Q413 VanDerWaalsContact O-N 3.13Å; M411-Q413 PolarHBondContact O-N 3.45Å; M411-Q413 VanDerWaalsContact O-N 3.07Å; M411-Q413 PolarHBondContact O-NE2 2.97Å; Q413-F415 HydrophobicContact CB-CD2 4.48Å; Q413-F415 HydrophobicContact CB-CE2 3.68Å; Q413-F415 HydrophobicContact CB-CZ 4.07Å |
| 414 | V | 89.1 | Confident | 86.7 | Confident | 25 Ų | 25 | 54.3 Ų | 54.3 | 15% | 0.152 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 138.1 | 179.2 | -163.9 | 0 | 0 | 0 | 0 | 108.6 | F391 C394 A395 V401 | F391-V414 HydrophobicContact CB-CG1 4.21Å; F391-V414 WeakPolarHBondContact O-CG2 3.39Å; C394-V414 CarbonylContact C-O 3.53Å; C394-V414 VanDerWaalsContact CA-O 3.29Å; C394-V414 WeakPolarHBondContact CA-O 3.43Å; A395-V414 PolarHBondContact N-O 3.47Å; V401-V414 HydrophobicContact CB-CG1 4.1Å; V401-V414 HydrophobicContact CG1-CG1 4.28Å; V401-V414 HydrophobicContact CG2-CG1 3.91Å |
| 415 | F | 90.4 | Very high | 87.7 | Confident | 23 Ų | 23 | 49.1 Ų | 49.1 | 10% | 0.101 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 144.7 | 173.5 | -62.7 | -90.3 | 0 | 0 | 0 | 109.9 | A395 R396 G407 C408 Q413 F420 | A395-F415 HydrophobicContact CB-CD1 4.44Å; A395-F415 HydrophobicContact CB-CE1 3.82Å; A395-F415 HydrophobicContact CB-CZ 3.87Å; R396-F415 HydrophobicContact CB-CD1 4.06Å; R396-F415 HydrophobicContact CB-CE1 4.16Å; G407-F415 CarbonylContact C-O 3.57Å; G407-F415 WeakPolarHBondContact CA-O 3.47Å; C408-F415 PolarHBondContact N-O 3.45Å; C408-F415 PolarHBondContact O-N 3Å; Q413-F415 HydrophobicContact CB-CD2 4.48Å; Q413-F415 HydrophobicContact CB-CE2 3.68Å; Q413-F415 HydrophobicContact CB-CZ 4.07Å; F415-F420 HydrophobicContact CB-CB 4.08Å; F415-F420 HydrophobicContact CB-CD2 4.36Å; F415-F420 AromaticContact CD2-CD2 3.95Å; F415-F420 HydrophobicContact CD2-CD2 3.95Å; F415-F420 HydrophobicContact CD2-CE2 4.49Å; F415-F420 HydrophobicContact CE2-CD2 4.43Å; F415-F420 HydrophobicContact CG-CD2 4.1Å |
| 416 | H | 90.6 | Very high | 88.6 | Confident | 44 Ų | 44 | 51.9 Ų | 51.9 | 20% | 0.204 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.2 | 146 | 156.6 | -63.9 | 112.3 | 0 | 0 | 0 | 109 | C397 D418 C419 F420 | C397-H416 PolarHBondContact SG-ND1 3.25Å; C397-H416 VanDerWaalsContact SG-ND1 3.37Å; H416-D418 PolarHBondContact O-N 3.01Å; H416-C419 HydrophobicContact CB-CB 3.91Å; H416-C419 CarbonylContact O-C 3.45Å; H416-C419 WeakPolarHBondContact O-CA 3.43Å; H416-C419 WeakPolarHBondContact O-CB 3.24Å; H416-C419 PolarHBondContact O-N 2.99Å; H416-F420 PolarHBondContact O-N 2.81Å |
| 417 | V | 87.6 | Confident | 89 | Confident | 20 Ų | 20 | 54.1 Ų | 54.1 | 12% | 0.121 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | -40.1 | 176.4 | 161.9 | 0 | 0 | 0 | 0 | 112.5 | T406 F420 R430 | T406-V417 WeakPolarHBondContact O-CG2 3.42Å; T406-V417 PolarHBondContact O-N 3.35Å; V417-F420 PolarHBondContact O-N 3.42Å; V417-R430 HydrophobicContact CG1-CB 4.38Å; V417-R430 HydrophobicContact CG1-CG 4.48Å |
| 418 | D | 87.9 | Confident | 89.3 | Confident | 101 Ų | 101 | 59 Ų | 59 | 54% | 0.54 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -17.3 | 177.3 | -66.2 | -38.6 | 0 | 0 | 0 | 113.8 | H416 T421 K428 | H416-D418 PolarHBondContact O-N 3.01Å; D418-T421 WeakPolarHBondContact O-CG2 3.3Å; D418-K428 WeakPolarHBondContact OD1-CD 3.34Å; D418-K428 WeakPolarHBondContact OD1-CE 3.34Å; D418-K428 IonicContact OD1-NZ 2.63Å; D418-K428 PolarHBondContact OD1-NZ 3.34Å |
| 419 | C | 89.6 | Confident | 89.5 | Confident | 25 Ų | 25 | 57.6 Ų | 57.6 | 17% | 0.169 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -16.2 | 169.9 | -74.5 | 0 | 0 | 0 | 0 | 112.8 | R396 H416 T421 | R396-C419 HydrophobicContact CB-CB 4.12Å; R396-C419 WeakPolarHBondContact CD-O 3.4Å; R396-C419 PolarHBondContact NH1-O 3.27Å; H416-C419 HydrophobicContact CB-CB 3.91Å; H416-C419 CarbonylContact O-C 3.45Å; H416-C419 WeakPolarHBondContact O-CA 3.43Å; H416-C419 WeakPolarHBondContact O-CB 3.24Å; H416-C419 PolarHBondContact O-N 2.99Å; C419-T421 PolarHBondContact O-N 2.81Å; C419-T421 VanDerWaalsContact O-N 3.07Å |
| 420 | F | 91.2 | Very high | 89.4 | Confident | 11 Ų | 11 | 60.1 Ų | 60.1 | 5% | 0.048 | 31% | 0.305 | C | S | . | . | trans | -84 | 81.2 | 176.9 | -166.6 | -113.1 | 0 | 0 | 0 | 111.1 | A410 F415 H416 V417 L429 F434 A441 | A410-F420 HydrophobicContact CB-CD2 4.37Å; A410-F420 HydrophobicContact CB-CE2 3.65Å; A410-F420 HydrophobicContact CB-CZ 3.87Å; F415-F420 HydrophobicContact CB-CB 4.08Å; F415-F420 HydrophobicContact CB-CD2 4.36Å; F415-F420 AromaticContact CD2-CD2 3.95Å; F415-F420 HydrophobicContact CD2-CD2 3.95Å; F415-F420 HydrophobicContact CD2-CE2 4.49Å; F415-F420 HydrophobicContact CE2-CD2 4.43Å; F415-F420 HydrophobicContact CG-CD2 4.1Å; H416-F420 PolarHBondContact O-N 2.81Å; V417-F420 PolarHBondContact O-N 3.42Å; F420-L429 HydrophobicContact CD1-CB 3.64Å; F420-L429 HydrophobicContact CE1-CB 3.53Å; F420-L429 HydrophobicContact CE1-CD1 4.32Å; F420-L429 HydrophobicContact CZ-CB 4.41Å; F420-L429 HydrophobicContact CZ-CD1 4.43Å; F420-L429 PolarHBondContact O-N 3.31Å; F420-F434 AromaticContact CE1-CD1 3.85Å; F420-F434 HydrophobicContact CE1-CD1 3.85Å; F420-F434 AromaticContact CE1-CE1 3.95Å; F420-F434 HydrophobicContact CE1-CE1 3.95Å; F420-F434 HydrophobicContact CE1-CG 4.19Å; F420-F434 HydrophobicContact CE1-CZ 4.39Å; F420-F434 AromaticContact CZ-CD1 3.92Å; F420-F434 HydrophobicContact CZ-CD1 3.92Å; F420-F434 AromaticContact CZ-CD2 3.9Å; F420-F434 HydrophobicContact CZ-CD2 3.9Å; F420-F434 AromaticContact CZ-CE1 3.85Å; F420-F434 HydrophobicContact CZ-CE1 3.85Å; F420-F434 AromaticContact CZ-CE2 3.85Å; F420-F434 HydrophobicContact CZ-CE2 3.85Å; F420-F434 AromaticContact CZ-CG 3.94Å; F420-F434 HydrophobicContact CZ-CG 3.94Å; F420-F434 AromaticContact CZ-CZ 3.82Å; F420-F434 HydrophobicContact CZ-CZ 3.82Å; F420-A441 HydrophobicContact CE2-CB 4.05Å; F420-A441 HydrophobicContact CZ-CB 4.32Å | ||
| 421 | T | 93 | Very high | 89.2 | Confident | 15 Ų | 15 | 61.7 Ų | 61.7 | 9% | 0.092 | 32% | 0.323 | C | S | . | . | B | Isolated β-bridge | trans | -132.8 | 154 | -176.1 | 89.4 | 0 | 0 | 0 | 0 | 111.7 | R396 D418 C419 N426 N427 K428 | R396-T421 PolarHBondContact NH1-O 2.95Å; R396-T421 PolarHBondContact NH1-OG1 2.9Å; R396-T421 PolarHBondContact NH2-OG1 3.01Å; D418-T421 WeakPolarHBondContact O-CG2 3.3Å; C419-T421 PolarHBondContact O-N 2.81Å; C419-T421 VanDerWaalsContact O-N 3.07Å; T421-N426 VanDerWaalsContact CB-O 3.24Å; T421-N426 WeakPolarHBondContact CB-O 3.4Å; T421-N426 PolarHBondContact OG1-O 3.06Å; T421-N427 CarbonylContact C-O 3.55Å; T421-N427 VanDerWaalsContact CA-O 3.22Å; T421-N427 WeakPolarHBondContact CA-O 3.44Å; T421-N427 VanDerWaalsContact CB-O 3.29Å; T421-N427 WeakPolarHBondContact CB-O 3.45Å; T421-K428 HydrophobicContact CG2-CG 4.06Å |
| 422 | C | 93.1 | Very high | 89.2 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 34% | 0.34 | C | S | . | . | trans | -64 | 135.5 | -178.9 | 176 | 0 | 0 | 0 | 0 | 112.7 | I424 N426 N427 L429 A441 C443 C446 | C422-I424 PolarHBondContact O-N 3.48Å; C422-I424 PolarHBondContact SG-N 3.11Å; C422-I424 VanDerWaalsContact SG-N 3.36Å; C422-N426 WeakPolarHBondContact O-CA 3.49Å; C422-N426 PolarHBondContact O-N 3.3Å; C422-N427 PolarHBondContact N-O 3.28Å; C422-L429 HydrophobicContact CB-CD1 4.17Å; C422-L429 HydrophobicContact CB-CD2 4.27Å; C422-L429 HydrophobicContact CB-CG 4.37Å; C422-A441 WeakPolarHBondContact CA-O 3.38Å; C422-C443 HydrophobicContact CB-CB 3.98Å; C422-C443 PolarHBondContact SG-N 3.46Å; C422-C446 PolarHBondContact SG-SG 3.2Å | ||
| 423 | I | 90.8 | Very high | 89.3 | Confident | 83 Ų | 83 | 58.9 Ų | 58.9 | 43% | 0.426 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -22.6 | 179.1 | -163.5 | 166.7 | 0 | 0 | 0 | 114.7 | K440 A441 Y442 | I423-K440 HydrophobicContact CD1-CB 4.18Å; I423-K440 HydrophobicContact CD1-CD 4.15Å; I423-K440 HydrophobicContact CD1-CG 3.93Å; I423-K440 HydrophobicContact CG2-CB 4.43Å; I423-A441 PolarHBondContact N-O 2.94Å; I423-Y442 HydrophobicContact CG2-CD1 3.85Å; I423-Y442 HydrophobicContact CG2-CE1 3.43Å; I423-Y442 VanDerWaalsContact CG2-CE1 3.43Å; I423-Y442 HydrophobicContact CG2-CE2 4.35Å; I423-Y442 HydrophobicContact CG2-CG 4.47Å |
| 424 | I | 91.3 | Very high | 89.4 | Confident | 95 Ų | 95 | 57.9 Ų | 57.9 | 49% | 0.487 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | -49 | -179.5 | -59.3 | -175.2 | 0 | 0 | 0 | 112 | C422 Y442 C446 | C422-I424 PolarHBondContact O-N 3.48Å; C422-I424 PolarHBondContact SG-N 3.11Å; C422-I424 VanDerWaalsContact SG-N 3.36Å; I424-Y442 HydrophobicContact CD1-CD1 3.8Å; I424-Y442 HydrophobicContact CD1-CE1 3.84Å; I424-Y442 HydrophobicContact CG1-CD1 4.03Å; I424-Y442 HydrophobicContact CG1-CE1 3.99Å; I424-C446 HydrophobicContact CB-CB 4.3Å; I424-C446 HydrophobicContact CD1-CB 4.26Å |
| 425 | C | 92.7 | Very high | 89.5 | Confident | 49 Ų | 49 | 57.4 Ų | 57.4 | 33% | 0.331 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.2 | -3.7 | -172.1 | 70 | 0 | 0 | 0 | 0 | 114.9 | N427 C446 | C425-N427 PolarHBondContact O-N 3.47Å; C425-C446 PolarHBondContact SG-SG 2.89Å |
| 426 | N | 91.1 | Very high | 89.5 | Confident | 101 Ų | 101 | 58.5 Ų | 58.5 | 54% | 0.54 | 31% | 0.31 | S | S | . | . | trans | 57 | 8.5 | -176.3 | -62.4 | -59.6 | 0 | 0 | 0 | 116.6 | T421 C422 | T421-N426 VanDerWaalsContact CB-O 3.24Å; T421-N426 WeakPolarHBondContact CB-O 3.4Å; T421-N426 PolarHBondContact OG1-O 3.06Å; C422-N426 WeakPolarHBondContact O-CA 3.49Å; C422-N426 PolarHBondContact O-N 3.3Å | ||
| 427 | N | 91.1 | Very high | 89.4 | Confident | 107 Ų | 107 | 58.8 Ų | 58.8 | 57% | 0.572 | 32% | 0.315 | S | S | * | . | trans | -64.4 | 135.2 | 171.4 | -72 | -16.5 | 0 | 0 | 0 | 111.2 | T421 C422 C425 | T421-N427 CarbonylContact C-O 3.55Å; T421-N427 VanDerWaalsContact CA-O 3.22Å; T421-N427 WeakPolarHBondContact CA-O 3.44Å; T421-N427 VanDerWaalsContact CB-O 3.29Å; T421-N427 WeakPolarHBondContact CB-O 3.45Å; C422-N427 PolarHBondContact N-O 3.28Å; C425-N427 PolarHBondContact O-N 3.47Å | ||
| 428 | K | 90.9 | Very high | 89.4 | Confident | 126 Ų | 126 | 64.9 Ų | 64.9 | 55% | 0.548 | 34% | 0.342 | S | S | . | . | B | Isolated β-bridge | trans | -60.4 | 135.1 | 175.3 | -57.4 | -177.5 | -174.9 | -176.7 | 0 | 110.2 | D418 T421 | D418-K428 WeakPolarHBondContact OD1-CD 3.34Å; D418-K428 WeakPolarHBondContact OD1-CE 3.34Å; D418-K428 IonicContact OD1-NZ 2.63Å; D418-K428 PolarHBondContact OD1-NZ 3.34Å; T421-K428 HydrophobicContact CG2-CG 4.06Å |
| 429 | L | 89.7 | Confident | 89.2 | Confident | 6 Ų | 6 | 67.7 Ų | 67.7 | 3% | 0.031 | 35% | 0.349 | C | S | . | . | trans | -102.8 | -1.8 | -174.6 | -66.9 | 171.9 | 0 | 0 | 0 | 113.5 | F420 C422 G431 Q432 F434 A441 C443 | F420-L429 HydrophobicContact CD1-CB 3.64Å; F420-L429 HydrophobicContact CE1-CB 3.53Å; F420-L429 HydrophobicContact CE1-CD1 4.32Å; F420-L429 HydrophobicContact CZ-CB 4.41Å; F420-L429 HydrophobicContact CZ-CD1 4.43Å; F420-L429 PolarHBondContact O-N 3.31Å; C422-L429 HydrophobicContact CB-CD1 4.17Å; C422-L429 HydrophobicContact CB-CD2 4.27Å; C422-L429 HydrophobicContact CB-CG 4.37Å; L429-G431 PolarHBondContact O-N 3.5Å; L429-Q432 PolarHBondContact O-N 3.48Å; L429-Q432 VanDerWaalsContact O-N 3.16Å; L429-F434 HydrophobicContact CB-CB 4.43Å; L429-F434 HydrophobicContact CD1-CB 3.98Å; L429-F434 HydrophobicContact CD2-CB 4.22Å; L429-F434 HydrophobicContact CG-CB 4.44Å; L429-A441 HydrophobicContact CD1-CB 3.61Å; L429-C443 HydrophobicContact CD2-CB 3.82Å | ||
| 430 | R | 84.6 | Confident | 89.2 | Confident | 158 Ų | 158 | 70.2 Ų | 70.2 | 60% | 0.596 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | 126.6 | 172.8 | 177.3 | 170.1 | 177 | 152.4 | -0.4 | 110 | G405 V417 Q432 | G405-R430 PolarHBondContact O-NH1 3.39Å; G405-R430 VanDerWaalsContact O-NH1 3.1Å; V417-R430 HydrophobicContact CG1-CB 4.38Å; V417-R430 HydrophobicContact CG1-CG 4.48Å; R430-Q432 VanDerWaalsContact C-N 3.33Å |
| 431 | G | 81.2 | Confident | 89.2 | Confident | 47 Ų | 47 | 70.3 Ų | 70.3 | 49% | 0.485 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80 | 6.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | L429 | L429-G431 PolarHBondContact O-N 3.5Š|
| 432 | Q | 84.4 | Confident | 89.1 | Confident | 116 Ų | 116 | 71 Ų | 71 | 54% | 0.542 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -124.5 | 151.7 | -175.9 | -67.4 | -62.5 | -53.4 | 0 | 0 | 112.1 | L429 R430 F434 | L429-Q432 PolarHBondContact O-N 3.48Å; L429-Q432 VanDerWaalsContact O-N 3.16Å; R430-Q432 VanDerWaalsContact C-N 3.33Å; Q432-F434 PolarHBondContact O-N 2.68Å |
| 433 | P | 86.5 | Confident | 89.1 | Confident | 27 Ų | 27 | 71.7 Ų | 71.7 | 18% | 0.175 | 37% | 0.366 | C | S | . | . | trans | -60.9 | 128.1 | 168 | 26.8 | -33.9 | 0 | 0 | 0 | 110 | Q202 E444 | Q202-P433 WeakPolarHBondContact O-CA 3.33Å; Q202-P433 WeakPolarHBondContact O-CB 3.38Å; P433-E444 WeakPolarHBondContact CG-OE2 3.45Å | ||
| 434 | F | 91.2 | Very high | 89.1 | Confident | 36 Ų | 36 | 69.9 Ų | 69.9 | 16% | 0.158 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 156.6 | 174.4 | 71.9 | -90.6 | 0 | 0 | 0 | 110.9 | A410 M411 F420 L429 Q432 A436 Y442 | A410-F434 HydrophobicContact CB-CZ 4.27Å; M411-F434 HydrophobicContact CE-CD2 4.06Å; M411-F434 HydrophobicContact CE-CE2 3.85Å; F420-F434 AromaticContact CE1-CD1 3.85Å; F420-F434 HydrophobicContact CE1-CD1 3.85Å; F420-F434 AromaticContact CE1-CE1 3.95Å; F420-F434 HydrophobicContact CE1-CE1 3.95Å; F420-F434 HydrophobicContact CE1-CG 4.19Å; F420-F434 HydrophobicContact CE1-CZ 4.39Å; F420-F434 AromaticContact CZ-CD1 3.92Å; F420-F434 HydrophobicContact CZ-CD1 3.92Å; F420-F434 AromaticContact CZ-CD2 3.9Å; F420-F434 HydrophobicContact CZ-CD2 3.9Å; F420-F434 AromaticContact CZ-CE1 3.85Å; F420-F434 HydrophobicContact CZ-CE1 3.85Å; F420-F434 AromaticContact CZ-CE2 3.85Å; F420-F434 HydrophobicContact CZ-CE2 3.85Å; F420-F434 AromaticContact CZ-CG 3.94Å; F420-F434 HydrophobicContact CZ-CG 3.94Å; F420-F434 AromaticContact CZ-CZ 3.82Å; F420-F434 HydrophobicContact CZ-CZ 3.82Å; L429-F434 HydrophobicContact CB-CB 4.43Å; L429-F434 HydrophobicContact CD1-CB 3.98Å; L429-F434 HydrophobicContact CD2-CB 4.22Å; L429-F434 HydrophobicContact CG-CB 4.44Å; Q432-F434 PolarHBondContact O-N 2.68Å; F434-A436 HydrophobicContact CE2-CB 4.47Å; F434-Y442 WeakPolarHBondContact CA-O 3.19Å |
| 435 | Y | 90.6 | Very high | 89.1 | Confident | 15 Ų | 15 | 69.2 Ų | 69.2 | 6% | 0.059 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 131 | 176.1 | -70.1 | -89.3 | 0 | 0 | 0 | 110.1 | K204 A206 Y442 E444 Y447 | K204-Y435 HydrophobicContact CB-CE1 3.8Å; K204-Y435 WeakPolarHBondContact CD-OH 3.14Å; K204-Y435 WeakPolarHBondContact O-CD1 3.48Å; K204-Y435 WeakPolarHBondContact O-CE1 3.19Å; A206-Y435 HydrophobicContact CB-CD1 3.74Å; A206-Y435 HydrophobicContact CB-CE1 4.33Å; Y435-Y442 PolarHBondContact N-O 3.03Å; Y435-Y442 PolarHBondContact O-N 3.29Å; Y435-E444 HydrophobicContact CE2-CB 4.02Å; Y435-E444 HydrophobicContact CE2-CG 4Å; Y435-Y447 AromaticContact CD1-CD1 3.47Å; Y435-Y447 HydrophobicContact CD1-CD1 3.47Å; Y435-Y447 VanDerWaalsContact CD1-CD1 3.47Å; Y435-Y447 AromaticContact CD1-CE1 3.57Å; Y435-Y447 HydrophobicContact CD1-CE1 3.57Å; Y435-Y447 HydrophobicContact CD1-CG 4.01Å; Y435-Y447 AromaticContact CD2-CD1 3.53Å; Y435-Y447 HydrophobicContact CD2-CD1 3.53Å; Y435-Y447 HydrophobicContact CD2-CE1 4.45Å; Y435-Y447 AromaticContact CD2-CG 3.74Å; Y435-Y447 HydrophobicContact CD2-CG 3.74Å; Y435-Y447 AromaticContact CE1-CD1 3.66Å; Y435-Y447 HydrophobicContact CE1-CD1 3.66Å; Y435-Y447 AromaticContact CE1-CE1 3.65Å; Y435-Y447 HydrophobicContact CE1-CE1 3.65Å; Y435-Y447 AromaticContact CE2-CD1 3.74Å; Y435-Y447 HydrophobicContact CE2-CD1 3.74Å; Y435-Y447 HydrophobicContact CE2-CG 4.37Å; Y435-Y447 AromaticContact CG-CD1 3.38Å; Y435-Y447 HydrophobicContact CG-CD1 3.38Å; Y435-Y447 HydrophobicContact CG-CD2 4.19Å; Y435-Y447 AromaticContact CG-CE1 3.97Å; Y435-Y447 HydrophobicContact CG-CE1 3.97Å; Y435-Y447 AromaticContact CG-CG 3.51Å; Y435-Y447 HydrophobicContact CG-CG 3.51Å; Y435-Y447 AromaticContact CZ-CD1 3.78Å |
| 436 | A | 91.1 | Very high | 89 | Confident | 47 Ų | 47 | 67.4 Ų | 67.4 | 39% | 0.388 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 113.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | M411 F434 | M411-A436 HydrophobicContact CE-CB 3.6Å; M411-A436 HydrophobicContact CG-CB 3.85Å; M411-A436 HydrophobicContact SD-CB 3.64Å; F434-A436 HydrophobicContact CE2-CB 4.47Å |
| 437 | V | 88.6 | Confident | 89 | Confident | 50 Ų | 50 | 64.6 Ų | 64.6 | 30% | 0.303 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 125.6 | 178.5 | -175.5 | 0 | 0 | 0 | 0 | 108.3 | A206 K439 K440 Y442 Y447 | A206-V437 HydrophobicContact CB-CG2 4.48Å; V437-K439 VanDerWaalsContact C-N 3.26Å; V437-K439 PolarHBondContact O-N 3.15Å; V437-K440 PolarHBondContact N-O 3.17Å; V437-K440 VanDerWaalsContact N-O 3.12Å; V437-K440 WeakPolarHBondContact O-CA 3.12Å; V437-K440 WeakPolarHBondContact O-CB 3.47Å; V437-K440 PolarHBondContact O-N 3.36Å; V437-Y442 HydrophobicContact CB-CD2 4.18Å; V437-Y442 HydrophobicContact CB-CE2 3.87Å; V437-Y442 HydrophobicContact CG2-CD2 4.38Å; V437-Y447 HydrophobicContact CG2-CD2 4.14Å; V437-Y447 HydrophobicContact CG2-CE2 3.82Å |
| 438 | E | 86.2 | Confident | 89 | Confident | 148 Ų | 148 | 60.9 Ų | 60.9 | 69% | 0.692 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.7 | 37.9 | -178.6 | -59.7 | 176.6 | 172.4 | 0 | 0 | 114.6 | K440 | E438-K440 HydrophobicContact CB-CD 4.3Å; E438-K440 PolarHBondContact O-N 2.9Å; E438-K440 IonicContact OE2-NZ 2.67Å; E438-K440 PolarHBondContact OE2-NZ 3.18Å |
| 439 | K | 84.7 | Confident | 88.8 | Confident | 159 Ų | 159 | 60.7 Ų | 60.7 | 69% | 0.691 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.5 | 13.9 | -172.7 | -52.2 | -175.3 | 178.3 | -171.1 | 0 | 115.1 | M411 V437 | M411-K439 VanDerWaalsContact SD-C 3.56Å; V437-K439 VanDerWaalsContact C-N 3.26Å; V437-K439 PolarHBondContact O-N 3.15Å |
| 440 | K | 88.6 | Confident | 88.7 | Confident | 79 Ų | 79 | 64.5 Ų | 64.5 | 34% | 0.343 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 143.8 | 175.5 | -56.4 | 155.1 | -171.6 | 165.8 | 0 | 109.8 | I423 V437 E438 Y442 | I423-K440 HydrophobicContact CD1-CB 4.18Å; I423-K440 HydrophobicContact CD1-CD 4.15Å; I423-K440 HydrophobicContact CD1-CG 3.93Å; I423-K440 HydrophobicContact CG2-CB 4.43Å; V437-K440 PolarHBondContact N-O 3.17Å; V437-K440 VanDerWaalsContact N-O 3.12Å; V437-K440 WeakPolarHBondContact O-CA 3.12Å; V437-K440 WeakPolarHBondContact O-CB 3.47Å; V437-K440 PolarHBondContact O-N 3.36Å; E438-K440 HydrophobicContact CB-CD 4.3Å; E438-K440 PolarHBondContact O-N 2.9Å; E438-K440 IonicContact OE2-NZ 2.67Å; E438-K440 PolarHBondContact OE2-NZ 3.18Å; K440-Y442 HydrophobicContact CB-CD2 4.47Å; K440-Y442 HydrophobicContact CB-CE2 3.62Å; K440-Y442 WeakPolarHBondContact CD-OH 3.37Å; K440-Y442 WeakPolarHBondContact O-CD2 3.41Å |
| 441 | A | 91.3 | Very high | 88.9 | Confident | 13 Ų | 13 | 58.6 Ų | 58.6 | 11% | 0.107 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 127.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | M411 F420 C422 I423 L429 | M411-A441 HydrophobicContact CE-CB 3.65Å; F420-A441 HydrophobicContact CE2-CB 4.05Å; F420-A441 HydrophobicContact CZ-CB 4.32Å; C422-A441 WeakPolarHBondContact CA-O 3.38Å; I423-A441 PolarHBondContact N-O 2.94Å; L429-A441 HydrophobicContact CD1-CB 3.61Å |
| 442 | Y | 92.6 | Very high | 89.4 | Confident | 29 Ų | 29 | 59.9 Ų | 59.9 | 11% | 0.114 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 135.5 | 179.2 | -61.2 | -93.7 | 0 | 0 | 0 | 111.1 | I423 I424 F434 Y435 V437 K440 | I423-Y442 HydrophobicContact CG2-CD1 3.85Å; I423-Y442 HydrophobicContact CG2-CE1 3.43Å; I423-Y442 VanDerWaalsContact CG2-CE1 3.43Å; I423-Y442 HydrophobicContact CG2-CE2 4.35Å; I423-Y442 HydrophobicContact CG2-CG 4.47Å; I424-Y442 HydrophobicContact CD1-CD1 3.8Å; I424-Y442 HydrophobicContact CD1-CE1 3.84Å; I424-Y442 HydrophobicContact CG1-CD1 4.03Å; I424-Y442 HydrophobicContact CG1-CE1 3.99Å; F434-Y442 WeakPolarHBondContact CA-O 3.19Å; Y435-Y442 PolarHBondContact N-O 3.03Å; Y435-Y442 PolarHBondContact O-N 3.29Å; V437-Y442 HydrophobicContact CB-CD2 4.18Å; V437-Y442 HydrophobicContact CB-CE2 3.87Å; V437-Y442 HydrophobicContact CG2-CD2 4.38Å; K440-Y442 HydrophobicContact CB-CD2 4.47Å; K440-Y442 HydrophobicContact CB-CE2 3.62Å; K440-Y442 WeakPolarHBondContact CD-OH 3.37Å; K440-Y442 WeakPolarHBondContact O-CD2 3.41Å |
| 443 | C | 93 | Very high | 89.7 | Confident | 15 Ų | 15 | 60 Ų | 60 | 10% | 0.101 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 154.3 | 168.4 | 90.5 | 0 | 0 | 0 | 0 | 110.2 | C422 L429 C446 Y447 | C422-C443 HydrophobicContact CB-CB 3.98Å; C422-C443 PolarHBondContact SG-N 3.46Å; L429-C443 HydrophobicContact CD2-CB 3.82Å; C443-C446 HydrophobicContact CB-CB 4Å; C443-C446 WeakPolarHBondContact CB-SG 3.46Å; C443-C446 CarbonylContact O-C 3.53Å; C443-C446 WeakPolarHBondContact O-CA 3.16Å; C443-C446 VanDerWaalsContact O-CB 3.25Å; C443-C446 WeakPolarHBondContact O-CB 3.48Å; C443-C446 PolarHBondContact O-N 3.27Å; C443-C446 WeakPolarHBondContact SG-CB 3.32Å; C443-C446 PolarHBondContact SG-N 3.06Å; C443-C446 CovalentContact SG-SG 2.05Å; C443-C446 PolarHBondContact SG-SG 3.47Å; C443-Y447 PolarHBondContact O-N 3.48Å |
| 444 | E | 90.2 | Very high | 90.1 | Very high | 45 Ų | 45 | 58.8 Ų | 58.8 | 21% | 0.21 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -50.2 | -55.4 | -178.8 | 178.3 | 154.2 | -155 | 0 | 0 | 113.9 | K204 P433 Y435 C446 Y447 I448 | K204-E444 IonicContact NZ-OE1 3.61Å; K204-E444 PolarHBondContact NZ-OE1 2.81Å; K204-E444 IonicContact NZ-OE2 3.7Å; K204-E444 PolarHBondContact NZ-OE2 3.41Å; P433-E444 WeakPolarHBondContact CG-OE2 3.45Å; Y435-E444 HydrophobicContact CE2-CB 4.02Å; Y435-E444 HydrophobicContact CE2-CG 4Å; E444-C446 VanDerWaalsContact C-N 3.29Å; E444-C446 PolarHBondContact O-N 3.36Å; E444-Y447 PolarHBondContact O-N 3.48Å; E444-I448 HydrophobicContact CG-CD1 3.69Å; E444-I448 WeakPolarHBondContact O-CB 3.43Å; E444-I448 WeakPolarHBondContact O-CD1 3.42Å; E444-I448 VanDerWaalsContact O-CG1 3.24Å; E444-I448 WeakPolarHBondContact O-CG1 3.38Å; E444-I448 PolarHBondContact O-N 2.9Å |
| 445 | P | 90.6 | Very high | 90.1 | Very high | 81 Ų | 81 | 60.8 Ų | 60.8 | 53% | 0.526 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -67.7 | -25.6 | 176.1 | 23.6 | -31 | 0 | 0 | 0 | 113.9 | N449 | P445-N449 WeakPolarHBondContact O-CB 3.34Å; P445-N449 PolarHBondContact O-N 3.35Å; P445-N449 PolarHBondContact O-ND2 3.18Å |
| 446 | C | 91.1 | Very high | 90.1 | Very high | 11 Ų | 11 | 64.2 Ų | 64.2 | 7% | 0.074 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -67.7 | -45.6 | 175.8 | -52.7 | 0 | 0 | 0 | 0 | 111.2 | C422 I424 C425 C443 E444 T450 | C422-C446 PolarHBondContact SG-SG 3.2Å; I424-C446 HydrophobicContact CB-CB 4.3Å; I424-C446 HydrophobicContact CD1-CB 4.26Å; C425-C446 PolarHBondContact SG-SG 2.89Å; C443-C446 HydrophobicContact CB-CB 4Å; C443-C446 WeakPolarHBondContact CB-SG 3.46Å; C443-C446 CarbonylContact O-C 3.53Å; C443-C446 WeakPolarHBondContact O-CA 3.16Å; C443-C446 VanDerWaalsContact O-CB 3.25Å; C443-C446 WeakPolarHBondContact O-CB 3.48Å; C443-C446 PolarHBondContact O-N 3.27Å; C443-C446 WeakPolarHBondContact SG-CB 3.32Å; C443-C446 PolarHBondContact SG-N 3.06Å; C443-C446 CovalentContact SG-SG 2.05Å; C443-C446 PolarHBondContact SG-SG 3.47Å; E444-C446 VanDerWaalsContact C-N 3.29Å; E444-C446 PolarHBondContact O-N 3.36Å; C446-T450 PolarHBondContact O-N 2.7Å; C446-T450 PolarHBondContact O-OG1 2.97Å |
| 447 | Y | 91.4 | Very high | 90.2 | Very high | 41 Ų | 41 | 64.2 Ų | 64.2 | 16% | 0.161 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -65.7 | -47.6 | 176.5 | 175.2 | -110.6 | 0 | 0 | 0 | 110.9 | A206 Y435 V437 C443 E444 N449 T450 L451 | A206-Y447 HydrophobicContact CB-CE1 4.05Å; A206-Y447 HydrophobicContact CB-CE2 4.07Å; A206-Y447 WeakPolarHBondContact CB-OH 3.35Å; Y435-Y447 AromaticContact CD1-CD1 3.47Å; Y435-Y447 HydrophobicContact CD1-CD1 3.47Å; Y435-Y447 VanDerWaalsContact CD1-CD1 3.47Å; Y435-Y447 AromaticContact CD1-CE1 3.57Å; Y435-Y447 HydrophobicContact CD1-CE1 3.57Å; Y435-Y447 HydrophobicContact CD1-CG 4.01Å; Y435-Y447 AromaticContact CD2-CD1 3.53Å; Y435-Y447 HydrophobicContact CD2-CD1 3.53Å; Y435-Y447 HydrophobicContact CD2-CE1 4.45Å; Y435-Y447 AromaticContact CD2-CG 3.74Å; Y435-Y447 HydrophobicContact CD2-CG 3.74Å; Y435-Y447 AromaticContact CE1-CD1 3.66Å; Y435-Y447 HydrophobicContact CE1-CD1 3.66Å; Y435-Y447 AromaticContact CE1-CE1 3.65Å; Y435-Y447 HydrophobicContact CE1-CE1 3.65Å; Y435-Y447 AromaticContact CE2-CD1 3.74Å; Y435-Y447 HydrophobicContact CE2-CD1 3.74Å; Y435-Y447 HydrophobicContact CE2-CG 4.37Å; Y435-Y447 AromaticContact CG-CD1 3.38Å; Y435-Y447 HydrophobicContact CG-CD1 3.38Å; Y435-Y447 HydrophobicContact CG-CD2 4.19Å; Y435-Y447 AromaticContact CG-CE1 3.97Å; Y435-Y447 HydrophobicContact CG-CE1 3.97Å; Y435-Y447 AromaticContact CG-CG 3.51Å; Y435-Y447 HydrophobicContact CG-CG 3.51Å; Y435-Y447 AromaticContact CZ-CD1 3.78Å; V437-Y447 HydrophobicContact CG2-CD2 4.14Å; V437-Y447 HydrophobicContact CG2-CE2 3.82Å; C443-Y447 PolarHBondContact O-N 3.48Å; E444-Y447 PolarHBondContact O-N 3.48Å; Y447-N449 VanDerWaalsContact C-N 3.29Å; Y447-N449 PolarHBondContact O-N 3.29Å; Y447-T450 WeakPolarHBondContact O-CA 3.26Å; Y447-T450 VanDerWaalsContact O-CB 3.3Å; Y447-T450 WeakPolarHBondContact O-CB 3.49Å; Y447-T450 PolarHBondContact O-N 2.85Å; Y447-L451 HydrophobicContact CE1-CD1 4.3Å; Y447-L451 HydrophobicContact CE1-CD2 4.08Å; Y447-L451 HydrophobicContact CE1-CG 4.45Å; Y447-L451 HydrophobicContact CE2-CD2 4.23Å; Y447-L451 PolarHBondContact O-N 2.84Å |
| 448 | I | 90 | Very high | 90.3 | Very high | 29 Ų | 29 | 66 Ų | 66 | 15% | 0.149 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -57.8 | -40.2 | 178.2 | -71.4 | 167.3 | 0 | 0 | 0 | 111.7 | E444 T450 L451 P460 M462 | E444-I448 HydrophobicContact CG-CD1 3.69Å; E444-I448 WeakPolarHBondContact O-CB 3.43Å; E444-I448 WeakPolarHBondContact O-CD1 3.42Å; E444-I448 VanDerWaalsContact O-CG1 3.24Å; E444-I448 WeakPolarHBondContact O-CG1 3.38Å; E444-I448 PolarHBondContact O-N 2.9Å; I448-T450 PolarHBondContact O-N 3.24Å; I448-L451 WeakPolarHBondContact O-CB 3.21Å; I448-L451 PolarHBondContact O-N 2.91Å; I448-P460 HydrophobicContact CG2-CB 4.02Å; I448-P460 HydrophobicContact CG2-CG 3.39Å; I448-P460 VanDerWaalsContact O-CB 3.24Å; I448-P460 WeakPolarHBondContact O-CB 3.34Å; I448-M462 HydrophobicContact CD1-CE 3.66Å; I448-M462 HydrophobicContact CD1-SD 3.83Å; I448-M462 HydrophobicContact CG1-CE 3.92Å; I448-M462 HydrophobicContact CG1-CG 4.45Å; I448-M462 HydrophobicContact CG1-SD 4Å |
| 449 | N | 88.1 | Confident | 90.5 | Very high | 123 Ų | 123 | 65.7 Ų | 65.7 | 66% | 0.658 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -10.7 | 174.6 | -74 | -21 | 0 | 0 | 0 | 114.5 | P445 Y447 | P445-N449 WeakPolarHBondContact O-CB 3.34Å; P445-N449 PolarHBondContact O-N 3.35Å; P445-N449 PolarHBondContact O-ND2 3.18Å; Y447-N449 VanDerWaalsContact C-N 3.29Å; Y447-N449 PolarHBondContact O-N 3.29Å |
| 450 | T | 87.2 | Confident | 90.9 | Very high | 86 Ų | 86 | 59.8 Ų | 59.8 | 53% | 0.528 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | -5.9 | 176.1 | -47 | 0 | 0 | 0 | 0 | 112 | C446 Y447 I448 | C446-T450 PolarHBondContact O-N 2.7Å; C446-T450 PolarHBondContact O-OG1 2.97Å; Y447-T450 WeakPolarHBondContact O-CA 3.26Å; Y447-T450 VanDerWaalsContact O-CB 3.3Å; Y447-T450 WeakPolarHBondContact O-CB 3.49Å; Y447-T450 PolarHBondContact O-N 2.85Å; I448-T450 PolarHBondContact O-N 3.24Å |
| 451 | L | 89.2 | Confident | 91 | Very high | 33 Ų | 33 | 56.1 Ų | 56.1 | 17% | 0.173 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -80.5 | 157.8 | 179.9 | -62.3 | 175.4 | 0 | 0 | 0 | 113 | Y447 I448 Q453 P460 M462 | Y447-L451 HydrophobicContact CE1-CD1 4.3Å; Y447-L451 HydrophobicContact CE1-CD2 4.08Å; Y447-L451 HydrophobicContact CE1-CG 4.45Å; Y447-L451 HydrophobicContact CE2-CD2 4.23Å; Y447-L451 PolarHBondContact O-N 2.84Å; I448-L451 WeakPolarHBondContact O-CB 3.21Å; I448-L451 PolarHBondContact O-N 2.91Å; L451-Q453 PolarHBondContact O-N 3.47Å; L451-P460 HydrophobicContact CB-CB 4.03Å; L451-M462 HydrophobicContact CD1-CG 3.91Å |
| 452 | E | 90.3 | Very high | 90.9 | Very high | 74 Ų | 74 | 60.8 Ų | 60.8 | 35% | 0.346 | 33% | 0.328 | S | S | . | . | P | Polyproline II helix | trans | -62.4 | 131 | 172 | -62.9 | -167.3 | 171 | 0 | 0 | 110.8 | I461 I465 R467 A472 | E452-I461 WeakPolarHBondContact O-CG1 3.49Å; E452-I461 PolarHBondContact O-N 2.92Å; E452-I465 HydrophobicContact CB-CD1 4.31Å; E452-I465 HydrophobicContact CG-CD1 4.44Å; E452-R467 IonicContact OE1-CZ 2.7Å; E452-R467 IonicContact OE1-NE 3.77Å; E452-R467 PolarHBondContact OE1-NE 3.21Å; E452-R467 IonicContact OE1-NH2 3.7Å; E452-R467 PolarHBondContact OE1-NH2 2.9Å; E452-R467 IonicContact OE2-CZ 3.96Å; E452-R467 IonicContact OE2-NE 2.68Å; E452-R467 PolarHBondContact OE2-NE 2.98Å; E452-R467 IonicContact OE2-NH2 3.69Å; E452-A472 HydrophobicContact CB-CB 4.05Å; E452-A472 WeakPolarHBondContact OE2-CB 3.5Å |
| 453 | Q | 92.5 | Very high | 90.5 | Very high | 119 Ų | 119 | 65 Ų | 65 | 56% | 0.556 | 35% | 0.348 | S | S | * | . | B | Isolated β-bridge | trans | -88.3 | 138.8 | 177.8 | -65 | 178.2 | 4 | 0 | 0 | 111 | L451 N455 | L451-Q453 PolarHBondContact O-N 3.47Å; Q453-N455 PolarHBondContact O-N 2.93Å |
| 454 | C | 93.6 | Very high | 90.3 | Very high | 1 Ų | 1 | 71 Ų | 71 | 1% | 0.007 | 37% | 0.369 | C | S | . | . | P | Polyproline II helix | trans | -71.8 | 125.9 | 176.8 | 173.6 | 0 | 0 | 0 | 0 | 111.6 | V456 C457 S458 K459 I461 A472 H474 C477 | C454-V456 PolarHBondContact O-N 3.15Å; C454-V456 PolarHBondContact SG-N 2.76Å; C454-C457 PolarHBondContact O-N 2.99Å; C454-S458 VanDerWaalsContact O-CA 3.29Å; C454-S458 WeakPolarHBondContact O-CA 3.43Å; C454-S458 PolarHBondContact O-N 2.84Å; C454-K459 PolarHBondContact N-O 3.05Å; C454-I461 HydrophobicContact CB-CD1 4.01Å; C454-I461 HydrophobicContact CB-CG1 3.85Å; C454-A472 WeakPolarHBondContact CA-O 3.41Å; C454-H474 VanDerWaalsContact CB-CE1 3.45Å; C454-H474 WeakPolarHBondContact CB-CE1 3.44Å; C454-H474 WeakPolarHBondContact CB-ND1 3.48Å; C454-C477 VanDerWaalsContact SG-CB 3.57Å |
| 455 | N | 91.5 | Very high | 90.3 | Very high | 79 Ų | 79 | 71 Ų | 71 | 42% | 0.422 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -16.8 | -179.1 | -179.9 | 102.5 | 0 | 0 | 0 | 114.4 | Q453 K471 A472 Y473 | Q453-N455 PolarHBondContact O-N 2.93Å; N455-K471 HydrophobicContact CB-CB 4.38Å; N455-K471 HydrophobicContact CB-CD 4.42Å; N455-K471 WeakPolarHBondContact OD1-CD 3.28Å; N455-K471 WeakPolarHBondContact OD1-CE 3.36Å; N455-K471 PolarHBondContact OD1-NZ 3.4Å; N455-A472 PolarHBondContact N-O 2.71Å; N455-Y473 HydrophobicContact CB-CE1 4.02Å |
| 456 | V | 91 | Very high | 90.3 | Very high | 86 Ų | 86 | 68.2 Ų | 68.2 | 52% | 0.521 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | -41.7 | -176.8 | 175.8 | 0 | 0 | 0 | 0 | 112.6 | C454 Y473 C477 | C454-V456 PolarHBondContact O-N 3.15Å; C454-V456 PolarHBondContact SG-N 2.76Å; V456-Y473 HydrophobicContact CG2-CD1 3.74Å; V456-Y473 HydrophobicContact CG2-CE1 3.75Å; V456-C477 HydrophobicContact CB-CB 4.06Å; V456-C477 HydrophobicContact CG1-CB 4.37Å; V456-C477 HydrophobicContact CG2-CB 4.45Å |
| 457 | C | 92.4 | Very high | 90.4 | Very high | 47 Ų | 47 | 75.6 Ų | 75.6 | 32% | 0.318 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.8 | 0.1 | -174.6 | 66.5 | 0 | 0 | 0 | 0 | 114.2 | C454 K459 H474 | C454-C457 PolarHBondContact O-N 2.99Å; C457-K459 PolarHBondContact O-N 3.49Å; C457-H474 VanDerWaalsContact SG-CE1 3.54Å; C457-H474 PolarHBondContact SG-ND1 3.26Å; C457-H474 VanDerWaalsContact SG-ND1 3.43Å |
| 458 | S | 91.4 | Very high | 90.2 | Very high | 88 Ų | 88 | 73.9 Ų | 73.9 | 62% | 0.615 | 37% | 0.371 | S | S | * | . | trans | 55.8 | 13.5 | -178.6 | -52.9 | 0 | 0 | 0 | 0 | 115.6 | C454 | C454-S458 VanDerWaalsContact O-CA 3.29Å; C454-S458 WeakPolarHBondContact O-CA 3.43Å; C454-S458 PolarHBondContact O-N 2.84Å | ||
| 459 | K | 90.9 | Very high | 90 | Very high | 142 Ų | 142 | 76.4 Ų | 76.4 | 62% | 0.617 | 39% | 0.388 | S | S | * | . | trans | -88.6 | 143.9 | 175.7 | -66.1 | 176.4 | -176.3 | -179.7 | 0 | 110.7 | C454 C457 | C454-K459 PolarHBondContact N-O 3.05Å; C457-K459 PolarHBondContact O-N 3.49Å | ||
| 460 | P | 92.1 | Very high | 90 | Very high | 34 Ų | 34 | 74.1 Ų | 74.1 | 22% | 0.221 | 39% | 0.393 | C | S | . | . | B | Isolated β-bridge | trans | -63.4 | 135.7 | 172.8 | 25.7 | -32.5 | 0 | 0 | 0 | 111.1 | I448 L451 M462 | I448-P460 HydrophobicContact CG2-CB 4.02Å; I448-P460 HydrophobicContact CG2-CG 3.39Å; I448-P460 VanDerWaalsContact O-CB 3.24Å; I448-P460 WeakPolarHBondContact O-CB 3.34Å; L451-P460 HydrophobicContact CB-CB 4.03Å; P460-M462 PolarHBondContact O-N 3.26Å |
| 461 | I | 91.6 | Very high | 90.1 | Very high | 3 Ų | 3 | 74.7 Ų | 74.7 | 2% | 0.015 | 39% | 0.388 | C | S | . | . | trans | -86.2 | 104.6 | -176 | -56.5 | 161.4 | 0 | 0 | 0 | 109.3 | E452 C454 I465 A472 | E452-I461 WeakPolarHBondContact O-CG1 3.49Å; E452-I461 PolarHBondContact O-N 2.92Å; C454-I461 HydrophobicContact CB-CD1 4.01Å; C454-I461 HydrophobicContact CB-CG1 3.85Å; I461-I465 HydrophobicContact CB-CG1 4.05Å; I461-I465 HydrophobicContact CD1-CG1 4.33Å; I461-I465 HydrophobicContact CD1-CG2 4.17Å; I461-I465 HydrophobicContact CG2-CB 4.46Å; I461-I465 HydrophobicContact CG2-CG1 3.69Å; I461-A472 HydrophobicContact CD1-CB 3.74Å | ||
| 462 | M | 87.6 | Confident | 90.3 | Very high | 111 Ų | 111 | 73.6 Ų | 73.6 | 55% | 0.547 | 38% | 0.384 | S | S | . | . | trans | -87.3 | -8 | 175 | -61.6 | 180 | 69.2 | 0 | 0 | 113.3 | I448 L451 P460 | I448-M462 HydrophobicContact CD1-CE 3.66Å; I448-M462 HydrophobicContact CD1-SD 3.83Å; I448-M462 HydrophobicContact CG1-CE 3.92Å; I448-M462 HydrophobicContact CG1-CG 4.45Å; I448-M462 HydrophobicContact CG1-SD 4Å; L451-M462 HydrophobicContact CD1-CG 3.91Å; P460-M462 PolarHBondContact O-N 3.26Å | ||
| 463 | E | 84.7 | Confident | 90.5 | Very high | 117 Ų | 117 | 70.4 Ų | 70.4 | 55% | 0.547 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -103.5 | -165.5 | -177.3 | -60.6 | 179.8 | 165.8 | 0 | 0 | 111.3 | I465 | E463-I465 PolarHBondContact O-N 2.91Š|
| 464 | R | 88.1 | Confident | 90.5 | Very high | 140 Ų | 140 | 66 Ų | 66 | 53% | 0.528 | 35% | 0.348 | S | S | . | . | P | Polyproline II helix | trans | -64 | 116.6 | 171.5 | -173.9 | 177.9 | 65.9 | 103.9 | 2.8 | 110.5 | L466 P475 D488 | R464-L466 PolarHBondContact O-N 3.01Å; R464-P475 WeakPolarHBondContact O-CD 3.44Å; R464-D488 IonicContact CZ-OD1 3.67Å; R464-D488 IonicContact CZ-OD2 3.6Å; R464-D488 IonicContact NH1-OD1 2.74Å; R464-D488 IonicContact NH2-OD1 3.72Å; R464-D488 PolarHBondContact NH2-OD1 3.38Å; R464-D488 IonicContact NH2-OD2 2.71Å; R464-D488 PolarHBondContact NH2-OD2 3.43Å |
| 465 | I | 90.6 | Very high | 90.4 | Very high | 45 Ų | 45 | 66.8 Ų | 66.8 | 23% | 0.231 | 35% | 0.353 | C | S | . | . | P | Polyproline II helix | trans | -71.1 | 125.1 | 176.4 | -58.4 | 168.3 | 0 | 0 | 0 | 109.9 | E452 I461 E463 R467 A472 | E452-I465 HydrophobicContact CB-CD1 4.31Å; E452-I465 HydrophobicContact CG-CD1 4.44Å; I461-I465 HydrophobicContact CB-CG1 4.05Å; I461-I465 HydrophobicContact CD1-CG1 4.33Å; I461-I465 HydrophobicContact CD1-CG2 4.17Å; I461-I465 HydrophobicContact CG2-CB 4.46Å; I461-I465 HydrophobicContact CG2-CG1 3.69Å; E463-I465 PolarHBondContact O-N 2.91Å; I465-R467 HydrophobicContact CG2-CG 4.06Å; I465-A472 HydrophobicContact CG2-CB 3.98Å |
| 466 | L | 92 | Very high | 90.4 | Very high | 23 Ų | 23 | 70.2 Ų | 70.2 | 12% | 0.12 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 130 | 160.9 | -69.1 | -175.9 | 0 | 0 | 0 | 109.5 | R464 A472 Y473 P475 F478 D488 | R464-L466 PolarHBondContact O-N 3.01Å; L466-A472 CarbonylContact O-C 3.55Å; L466-A472 WeakPolarHBondContact O-CA 3.01Å; L466-Y473 PolarHBondContact N-O 3.15Å; L466-Y473 PolarHBondContact O-N 3.21Å; L466-P475 HydrophobicContact CD1-CB 4.45Å; L466-F478 HydrophobicContact CD1-CB 3.7Å; L466-F478 HydrophobicContact CD1-CD1 3.74Å; L466-F478 HydrophobicContact CD1-CG 3.92Å; L466-D488 HydrophobicContact CD1-CB 4.26Å |
| 467 | R | 92 | Very high | 90.5 | Very high | 166 Ų | 166 | 67.4 Ų | 67.4 | 63% | 0.626 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 116.1 | 177.9 | -96.1 | 164.4 | 156.7 | -111.9 | 4.7 | 110.5 | E452 I465 K471 | E452-R467 IonicContact OE1-CZ 2.7Å; E452-R467 IonicContact OE1-NE 3.77Å; E452-R467 PolarHBondContact OE1-NE 3.21Å; E452-R467 IonicContact OE1-NH2 3.7Å; E452-R467 PolarHBondContact OE1-NH2 2.9Å; E452-R467 IonicContact OE2-CZ 3.96Å; E452-R467 IonicContact OE2-NE 2.68Å; E452-R467 PolarHBondContact OE2-NE 2.98Å; E452-R467 IonicContact OE2-NH2 3.69Å; I465-R467 HydrophobicContact CG2-CG 4.06Å; R467-K471 WeakPolarHBondContact CA-O 3.27Å |
| 468 | A | 87.6 | Confident | 90.5 | Very high | 6 Ų | 6 | 65.4 Ų | 65.4 | 5% | 0.05 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 139.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | G470 K471 Y473 F478 F492 | A468-G470 PolarHBondContact O-N 3.24Å; A468-K471 PolarHBondContact N-O 3.02Å; A468-K471 PolarHBondContact O-N 3.08Å; A468-K471 VanDerWaalsContact O-O 3.14Å; A468-Y473 HydrophobicContact CB-CD2 4.37Å; A468-Y473 HydrophobicContact CB-CE2 4.1Å; A468-F478 HydrophobicContact CB-CD2 4.37Å; A468-F478 HydrophobicContact CB-CE2 3.43Å; A468-F478 VanDerWaalsContact CB-CE2 3.43Å; A468-F478 HydrophobicContact CB-CZ 3.79Å; A468-F492 HydrophobicContact CB-CE2 4.05Å; A468-F492 HydrophobicContact CB-CZ 3.77Å |
| 469 | T | 86.8 | Confident | 90.7 | Very high | 82 Ų | 82 | 63.2 Ų | 63.2 | 50% | 0.503 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46.6 | 34.3 | -177.9 | 50 | 0 | 0 | 0 | 0 | 115.1 | K471 V494 | T469-K471 VanDerWaalsContact C-N 3.28Å; T469-K471 PolarHBondContact O-N 3Å; T469-V494 HydrophobicContact CG2-CB 4.13Å; T469-V494 HydrophobicContact CG2-CG1 4.25Å; T469-V494 HydrophobicContact CG2-CG2 3.76Å |
| 470 | G | 86.3 | Confident | 90.9 | Very high | 74 Ų | 74 | 56.4 Ų | 56.4 | 76% | 0.763 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.5 | 5.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | A468 | A468-G470 PolarHBondContact O-N 3.24Š|
| 471 | K | 90.9 | Very high | 90.9 | Very high | 98 Ų | 98 | 57.7 Ų | 57.7 | 43% | 0.426 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 152.4 | -177.5 | -68.6 | 176.1 | 165.8 | -149.8 | 0 | 111.6 | N455 R467 A468 T469 Y473 | N455-K471 HydrophobicContact CB-CB 4.38Å; N455-K471 HydrophobicContact CB-CD 4.42Å; N455-K471 WeakPolarHBondContact OD1-CD 3.28Å; N455-K471 WeakPolarHBondContact OD1-CE 3.36Å; N455-K471 PolarHBondContact OD1-NZ 3.4Å; R467-K471 WeakPolarHBondContact CA-O 3.27Å; A468-K471 PolarHBondContact N-O 3.02Å; A468-K471 PolarHBondContact O-N 3.08Å; A468-K471 VanDerWaalsContact O-O 3.14Å; T469-K471 VanDerWaalsContact C-N 3.28Å; T469-K471 PolarHBondContact O-N 3Å; K471-Y473 HydrophobicContact CB-CE2 3.55Å; K471-Y473 WeakPolarHBondContact O-CD2 3.37Å; K471-Y473 WeakPolarHBondContact O-CE2 3.35Å |
| 472 | A | 93.4 | Very high | 90.9 | Very high | 11 Ų | 11 | 62.5 Ų | 62.5 | 9% | 0.091 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 142.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | E452 C454 N455 I461 I465 L466 | E452-A472 HydrophobicContact CB-CB 4.05Å; E452-A472 WeakPolarHBondContact OE2-CB 3.5Å; C454-A472 WeakPolarHBondContact CA-O 3.41Å; N455-A472 PolarHBondContact N-O 2.71Å; I461-A472 HydrophobicContact CD1-CB 3.74Å; I465-A472 HydrophobicContact CG2-CB 3.98Å; L466-A472 CarbonylContact O-C 3.55Å; L466-A472 WeakPolarHBondContact O-CA 3.01Å |
| 473 | Y | 93.4 | Very high | 91.1 | Very high | 6 Ų | 6 | 59.9 Ų | 59.9 | 2% | 0.024 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 145.4 | -176.5 | -57 | -94.9 | 0 | 0 | 0 | 111.8 | N455 V456 L466 A468 K471 F478 I500 | N455-Y473 HydrophobicContact CB-CE1 4.02Å; V456-Y473 HydrophobicContact CG2-CD1 3.74Å; V456-Y473 HydrophobicContact CG2-CE1 3.75Å; L466-Y473 PolarHBondContact N-O 3.15Å; L466-Y473 PolarHBondContact O-N 3.21Å; A468-Y473 HydrophobicContact CB-CD2 4.37Å; A468-Y473 HydrophobicContact CB-CE2 4.1Å; K471-Y473 HydrophobicContact CB-CE2 3.55Å; K471-Y473 WeakPolarHBondContact O-CD2 3.37Å; K471-Y473 WeakPolarHBondContact O-CE2 3.35Å; Y473-F478 HydrophobicContact CD1-CD2 4.21Å; Y473-F478 AromaticContact CD2-CD2 3.97Å; Y473-F478 HydrophobicContact CD2-CD2 3.97Å; Y473-F478 HydrophobicContact CD2-CE2 4.43Å; Y473-F478 HydrophobicContact CE2-CD2 4.45Å; Y473-F478 AromaticContact CG-CD2 3.86Å; Y473-F478 HydrophobicContact CG-CD2 3.86Å; Y473-I500 HydrophobicContact CE1-CD1 3.91Å |
| 474 | H | 93.4 | Very high | 91.5 | Very high | 26 Ų | 26 | 60.8 Ų | 60.8 | 12% | 0.12 | 32% | 0.316 | C | S | . | . | trans | -69.2 | 152.2 | 160.3 | -60.4 | 95.7 | 0 | 0 | 0 | 110 | C454 C457 H476 C477 F478 | C454-H474 VanDerWaalsContact CB-CE1 3.45Å; C454-H474 WeakPolarHBondContact CB-CE1 3.44Å; C454-H474 WeakPolarHBondContact CB-ND1 3.48Å; C457-H474 VanDerWaalsContact SG-CE1 3.54Å; C457-H474 PolarHBondContact SG-ND1 3.26Å; C457-H474 VanDerWaalsContact SG-ND1 3.43Å; H474-H476 VanDerWaalsContact C-N 3.29Å; H474-H476 PolarHBondContact O-N 3.44Å; H474-C477 HydrophobicContact CB-CB 3.95Å; H474-C477 PolarHBondContact O-N 3.39Å; H474-F478 PolarHBondContact O-N 2.86Å | ||
| 475 | P | 91.4 | Very high | 91.7 | Very high | 18 Ų | 18 | 59.4 Ų | 59.4 | 12% | 0.117 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -52.4 | -44.4 | 174.2 | -27.1 | 36.1 | 0 | 0 | 0 | 113.2 | R464 L466 C477 F478 | R464-P475 WeakPolarHBondContact O-CD 3.44Å; L466-P475 HydrophobicContact CD1-CB 4.45Å; P475-C477 VanDerWaalsContact C-N 3.34Å; P475-C477 PolarHBondContact O-N 3.18Å; P475-F478 PolarHBondContact O-N 2.72Å |
| 476 | H | 90.6 | Very high | 91.8 | Very high | 151 Ų | 151 | 59.9 Ų | 59.9 | 70% | 0.699 | 32% | 0.319 | S | S | * | . | G | 310 helix | trans | -75.5 | -16.3 | 177.3 | -60.5 | -60.7 | 0 | 0 | 0 | 114.7 | H474 T479 | H474-H476 VanDerWaalsContact C-N 3.29Å; H474-H476 PolarHBondContact O-N 3.44Å; H476-T479 WeakPolarHBondContact O-CG2 3.44Å |
| 477 | C | 92.4 | Very high | 91.8 | Very high | 27 Ų | 27 | 59 Ų | 59 | 18% | 0.182 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -91.2 | -14.1 | 174.8 | -69.3 | 0 | 0 | 0 | 0 | 112.9 | C454 V456 H474 P475 T479 | C454-C477 VanDerWaalsContact SG-CB 3.57Å; V456-C477 HydrophobicContact CB-CB 4.06Å; V456-C477 HydrophobicContact CG1-CB 4.37Å; V456-C477 HydrophobicContact CG2-CB 4.45Å; H474-C477 HydrophobicContact CB-CB 3.95Å; H474-C477 PolarHBondContact O-N 3.39Å; P475-C477 VanDerWaalsContact C-N 3.34Å; P475-C477 PolarHBondContact O-N 3.18Å; C477-T479 PolarHBondContact O-N 3.17Å |
| 478 | F | 94.2 | Very high | 91.8 | Very high | 6 Ų | 6 | 54 Ų | 54 | 3% | 0.026 | 30% | 0.3 | C | S | . | . | trans | -88.4 | 76.4 | 179.9 | -169.6 | -112.7 | 0 | 0 | 0 | 110 | L466 A468 Y473 H474 P475 L487 F492 I500 | L466-F478 HydrophobicContact CD1-CB 3.7Å; L466-F478 HydrophobicContact CD1-CD1 3.74Å; L466-F478 HydrophobicContact CD1-CG 3.92Å; A468-F478 HydrophobicContact CB-CD2 4.37Å; A468-F478 HydrophobicContact CB-CE2 3.43Å; A468-F478 VanDerWaalsContact CB-CE2 3.43Å; A468-F478 HydrophobicContact CB-CZ 3.79Å; Y473-F478 HydrophobicContact CD1-CD2 4.21Å; Y473-F478 AromaticContact CD2-CD2 3.97Å; Y473-F478 HydrophobicContact CD2-CD2 3.97Å; Y473-F478 HydrophobicContact CD2-CE2 4.43Å; Y473-F478 HydrophobicContact CE2-CD2 4.45Å; Y473-F478 AromaticContact CG-CD2 3.86Å; Y473-F478 HydrophobicContact CG-CD2 3.86Å; H474-F478 PolarHBondContact O-N 2.86Å; P475-F478 PolarHBondContact O-N 2.72Å; F478-L487 HydrophobicContact CD1-CB 3.77Å; F478-L487 HydrophobicContact CE1-CB 3.62Å; F478-L487 PolarHBondContact O-N 2.9Å; F478-F492 AromaticContact CE1-CD1 3.78Å; F478-F492 HydrophobicContact CE1-CD1 3.78Å; F478-F492 AromaticContact CE1-CE1 3.91Å; F478-F492 HydrophobicContact CE1-CE1 3.91Å; F478-F492 HydrophobicContact CE1-CG 4.21Å; F478-F492 HydrophobicContact CE1-CZ 4.42Å; F478-F492 AromaticContact CZ-CD1 3.67Å; F478-F492 HydrophobicContact CZ-CD1 3.67Å; F478-F492 AromaticContact CZ-CD2 3.86Å; F478-F492 HydrophobicContact CZ-CD2 3.86Å; F478-F492 AromaticContact CZ-CE1 3.59Å; F478-F492 HydrophobicContact CZ-CE1 3.59Å; F478-F492 AromaticContact CZ-CE2 3.79Å; F478-F492 HydrophobicContact CZ-CE2 3.79Å; F478-F492 AromaticContact CZ-CG 3.82Å; F478-F492 HydrophobicContact CZ-CG 3.82Å; F478-F492 AromaticContact CZ-CZ 3.66Å; F478-F492 HydrophobicContact CZ-CZ 3.66Å; F478-I500 HydrophobicContact CD2-CD1 4.04Å; F478-I500 HydrophobicContact CE2-CD1 3.73Å; F478-I500 HydrophobicContact CE2-CG1 4.41Å; F478-I500 HydrophobicContact CE2-CG2 4.07Å; F478-I500 HydrophobicContact CZ-CG2 4.16Å | ||
| 479 | T | 94.9 | Very high | 91.8 | Very high | 41 Ų | 41 | 57.7 Ų | 57.7 | 25% | 0.252 | 34% | 0.338 | S | S | . | . | B | Isolated β-bridge | trans | -117.8 | 158.3 | -173.7 | 54.9 | 0 | 0 | 0 | 0 | 112.4 | H476 C477 H484 R485 | H476-T479 WeakPolarHBondContact O-CG2 3.44Å; C477-T479 PolarHBondContact O-N 3.17Å; T479-H484 WeakPolarHBondContact CG2-O 3.43Å; T479-R485 CarbonylContact C-O 3.6Å; T479-R485 VanDerWaalsContact CA-O 3.26Å; T479-R485 WeakPolarHBondContact CA-O 3.2Å |
| 480 | C | 94.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 33% | 0.327 | C | S | . | . | trans | -69.7 | 135.8 | 169.3 | 179.5 | 0 | 0 | 0 | 0 | 110.9 | M482 H484 R485 L487 C502 D505 | C480-M482 PolarHBondContact O-N 3.03Å; C480-M482 PolarHBondContact SG-N 3.45Å; C480-H484 WeakPolarHBondContact O-CA 3.46Å; C480-H484 PolarHBondContact O-N 3.45Å; C480-H484 PolarHBondContact O-ND1 2.87Å; C480-R485 PolarHBondContact N-O 3.32Å; C480-L487 HydrophobicContact CB-CD1 4.07Å; C480-L487 HydrophobicContact CB-CD2 4.18Å; C480-L487 HydrophobicContact CB-CG 4.39Å; C480-C502 HydrophobicContact CB-CB 4.41Å; C480-C502 PolarHBondContact SG-N 3.12Å; C480-C502 VanDerWaalsContact SG-N 3.39Å; C480-D505 PolarHBondContact SG-OD2 3.47Å; C480-D505 VanDerWaalsContact SG-OD2 3.34Å | ||
| 481 | V | 92.3 | Very high | 92 | Very high | 60 Ų | 60 | 57.1 Ų | 57.1 | 36% | 0.364 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -14.9 | 176.4 | -59 | 0 | 0 | 0 | 0 | 114.5 | H484 L499 I500 | V481-H484 PolarHBondContact O-CE1 3.25Å; V481-L499 HydrophobicContact CG1-CB 4.36Å; V481-L499 HydrophobicContact CG1-CD2 4.46Å; V481-L499 HydrophobicContact CG2-CB 4.25Å; V481-I500 PolarHBondContact N-O 3.38Å |
| 482 | M | 91.1 | Very high | 92.1 | Very high | 105 Ų | 105 | 56.2 Ų | 56.2 | 52% | 0.517 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | -55 | -177.8 | -64.9 | -66.3 | -61.9 | 0 | 0 | 112.6 | C480 D505 | C480-M482 PolarHBondContact O-N 3.03Å; C480-M482 PolarHBondContact SG-N 3.45Å; M482-D505 HydrophobicContact CB-CB 3.84Å; M482-D505 WeakPolarHBondContact CB-OD2 3.3Å; M482-D505 HydrophobicContact CG-CB 4.12Å |
| 483 | C | 93.4 | Very high | 92 | Very high | 55 Ų | 55 | 57.6 Ų | 57.6 | 37% | 0.372 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | -1.9 | -179.6 | 66.3 | 0 | 0 | 0 | 0 | 115.5 | R485 D505 | C483-R485 PolarHBondContact O-N 3.27Å; C483-D505 WeakPolarHBondContact CB-OD2 3.47Å; C483-D505 PolarHBondContact N-OD2 2.96Å; C483-D505 PolarHBondContact SG-OD2 3.35Å |
| 484 | H | 92.1 | Very high | 91.9 | Very high | 136 Ų | 136 | 58.3 Ų | 58.3 | 63% | 0.63 | 33% | 0.327 | S | S | * | . | trans | 55.9 | 6.7 | -178 | -57 | -39 | 0 | 0 | 0 | 117 | T479 C480 V481 S486 | T479-H484 WeakPolarHBondContact CG2-O 3.43Å; C480-H484 WeakPolarHBondContact O-CA 3.46Å; C480-H484 PolarHBondContact O-N 3.45Å; C480-H484 PolarHBondContact O-ND1 2.87Å; V481-H484 PolarHBondContact O-CE1 3.25Å; H484-S486 PolarHBondContact O-N 2.8Å | ||
| 485 | R | 92.4 | Very high | 91.7 | Very high | 112 Ų | 112 | 58.9 Ų | 58.9 | 42% | 0.423 | 33% | 0.331 | S | S | . | . | trans | -59.4 | 134.4 | 170.8 | -167.1 | -173.4 | -65 | 168.5 | 7.9 | 110 | T479 C480 C483 L487 I490 E504 | T479-R485 CarbonylContact C-O 3.6Å; T479-R485 VanDerWaalsContact CA-O 3.26Å; T479-R485 WeakPolarHBondContact CA-O 3.2Å; C480-R485 PolarHBondContact N-O 3.32Å; C483-R485 PolarHBondContact O-N 3.27Å; R485-L487 PolarHBondContact O-N 3.44Å; R485-I490 HydrophobicContact CG-CD1 4.37Å; R485-E504 IonicContact NH1-OE1 2.66Å; R485-E504 PolarHBondContact NH1-OE1 3.09Å; R485-E504 IonicContact NH1-OE2 3.88Å; R485-E504 IonicContact NH2-OE2 2.67Å | ||
| 486 | S | 92.9 | Very high | 91.5 | Very high | 55 Ų | 55 | 63.2 Ų | 63.2 | 39% | 0.385 | 37% | 0.369 | S | S | . | . | B | Isolated β-bridge | trans | -63.2 | 128.6 | 169.2 | 50.5 | 0 | 0 | 0 | 0 | 110.4 | H484 D488 I490 | H484-S486 PolarHBondContact O-N 2.8Å; S486-D488 VanDerWaalsContact C-N 3.3Å; S486-D488 PolarHBondContact O-N 2.74Å; S486-I490 WeakPolarHBondContact O-CD1 3.48Å |
| 487 | L | 92.6 | Very high | 91.3 | Very high | 3 Ų | 3 | 59.2 Ų | 59.2 | 2% | 0.016 | 37% | 0.368 | C | S | . | . | trans | -97.9 | 24.9 | -174.9 | -54.4 | 179.4 | 0 | 0 | 0 | 112.5 | F478 C480 R485 G489 I490 F492 I500 C502 | F478-L487 HydrophobicContact CD1-CB 3.77Å; F478-L487 HydrophobicContact CE1-CB 3.62Å; F478-L487 PolarHBondContact O-N 2.9Å; C480-L487 HydrophobicContact CB-CD1 4.07Å; C480-L487 HydrophobicContact CB-CD2 4.18Å; C480-L487 HydrophobicContact CB-CG 4.39Å; R485-L487 PolarHBondContact O-N 3.44Å; L487-G489 PolarHBondContact O-N 3.26Å; L487-I490 HydrophobicContact CD2-CB 4.46Å; L487-I490 HydrophobicContact CD2-CG2 4.3Å; L487-I490 PolarHBondContact O-N 3.34Å; L487-F492 HydrophobicContact CB-CB 4.44Å; L487-F492 HydrophobicContact CD1-CB 3.82Å; L487-I500 HydrophobicContact CD1-CG2 3.65Å; L487-C502 HydrophobicContact CD2-CB 3.72Å | ||
| 488 | D | 91 | Very high | 91.1 | Very high | 63 Ų | 63 | 60.1 Ų | 60.1 | 34% | 0.337 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | 118 | 176.4 | -168.7 | 11.3 | 0 | 0 | 0 | 110.3 | R464 L466 S486 I490 | R464-D488 IonicContact CZ-OD1 3.67Å; R464-D488 IonicContact CZ-OD2 3.6Å; R464-D488 IonicContact NH1-OD1 2.74Å; R464-D488 IonicContact NH2-OD1 3.72Å; R464-D488 PolarHBondContact NH2-OD1 3.38Å; R464-D488 IonicContact NH2-OD2 2.71Å; R464-D488 PolarHBondContact NH2-OD2 3.43Å; L466-D488 HydrophobicContact CD1-CB 4.26Å; S486-D488 VanDerWaalsContact C-N 3.3Å; S486-D488 PolarHBondContact O-N 2.74Å; D488-I490 PolarHBondContact O-N 3.44Å |
| 489 | G | 87.2 | Confident | 90.8 | Very high | 83 Ų | 83 | 64 Ų | 64 | 86% | 0.856 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.6 | -1.4 | -171.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | L487 | L487-G489 PolarHBondContact O-N 3.26Š|
| 490 | I | 89.4 | Confident | 90.7 | Very high | 53 Ų | 53 | 62.8 Ų | 62.8 | 27% | 0.272 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -97.8 | 132.7 | 179.7 | -56.2 | -174.7 | 0 | 0 | 0 | 109.2 | R485 S486 L487 D488 F492 | R485-I490 HydrophobicContact CG-CD1 4.37Å; S486-I490 WeakPolarHBondContact O-CD1 3.48Å; L487-I490 HydrophobicContact CD2-CB 4.46Å; L487-I490 HydrophobicContact CD2-CG2 4.3Å; L487-I490 PolarHBondContact O-N 3.34Å; D488-I490 PolarHBondContact O-N 3.44Å; I490-F492 PolarHBondContact O-N 3.3Å |
| 491 | P | 88.7 | Confident | 90.6 | Very high | 91 Ų | 91 | 62.8 Ų | 62.8 | 59% | 0.591 | 40% | 0.395 | S | S | * | . | trans | -65.8 | 132.7 | 177.4 | 29.7 | -36.4 | 0 | 0 | 0 | 110.8 | I503 | P491-I503 HydrophobicContact CB-CD1 3.77Å; P491-I503 HydrophobicContact CG-CD1 4.21Å | ||
| 492 | F | 92.4 | Very high | 90.6 | Very high | 79 Ų | 79 | 60 Ų | 60 | 35% | 0.346 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 165.8 | -171.9 | 70.3 | -89.1 | 0 | 0 | 0 | 111.1 | A468 F478 L487 I490 V494 I500 H501 | A468-F492 HydrophobicContact CB-CE2 4.05Å; A468-F492 HydrophobicContact CB-CZ 3.77Å; F478-F492 AromaticContact CE1-CD1 3.78Å; F478-F492 HydrophobicContact CE1-CD1 3.78Å; F478-F492 AromaticContact CE1-CE1 3.91Å; F478-F492 HydrophobicContact CE1-CE1 3.91Å; F478-F492 HydrophobicContact CE1-CG 4.21Å; F478-F492 HydrophobicContact CE1-CZ 4.42Å; F478-F492 AromaticContact CZ-CD1 3.67Å; F478-F492 HydrophobicContact CZ-CD1 3.67Å; F478-F492 AromaticContact CZ-CD2 3.86Å; F478-F492 HydrophobicContact CZ-CD2 3.86Å; F478-F492 AromaticContact CZ-CE1 3.59Å; F478-F492 HydrophobicContact CZ-CE1 3.59Å; F478-F492 AromaticContact CZ-CE2 3.79Å; F478-F492 HydrophobicContact CZ-CE2 3.79Å; F478-F492 AromaticContact CZ-CG 3.82Å; F478-F492 HydrophobicContact CZ-CG 3.82Å; F478-F492 AromaticContact CZ-CZ 3.66Å; F478-F492 HydrophobicContact CZ-CZ 3.66Å; L487-F492 HydrophobicContact CB-CB 4.44Å; L487-F492 HydrophobicContact CD1-CB 3.82Å; I490-F492 PolarHBondContact O-N 3.3Å; F492-V494 HydrophobicContact CD2-CG2 4.21Å; F492-V494 HydrophobicContact CE2-CG2 4.13Å; F492-I500 HydrophobicContact CD2-CG2 4.11Å; F492-H501 WeakPolarHBondContact CA-O 3.5Å |
| 493 | T | 91 | Very high | 90.6 | Very high | 40 Ų | 40 | 58.2 Ų | 58.2 | 25% | 0.245 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 166.2 | 173.3 | -174.8 | 0 | 0 | 0 | 0 | 110.6 | H501 F506 | T493-H501 HydrophobicContact CG2-CB 4.38Å; T493-H501 PolarHBondContact N-O 2.9Å; T493-H501 PolarHBondContact O-N 3.4Å; T493-H501 VanDerWaalsContact O-O 3.11Å; T493-F506 HydrophobicContact CG2-CB 3.49Å; T493-F506 VanDerWaalsContact CG2-CB 3.49Å; T493-F506 HydrophobicContact CG2-CD1 3.7Å; T493-F506 HydrophobicContact CG2-CD2 3.58Å; T493-F506 HydrophobicContact CG2-CE1 4.32Å; T493-F506 HydrophobicContact CG2-CE2 4.22Å; T493-F506 HydrophobicContact CG2-CG 3.29Å |
| 494 | V | 91.9 | Very high | 90.3 | Very high | 21 Ų | 21 | 60.7 Ų | 60.7 | 13% | 0.127 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 122 | -178.2 | -176.4 | 0 | 0 | 0 | 0 | 109.2 | T469 F492 G498 L499 I500 | T469-V494 HydrophobicContact CG2-CB 4.13Å; T469-V494 HydrophobicContact CG2-CG1 4.25Å; T469-V494 HydrophobicContact CG2-CG2 3.76Å; F492-V494 HydrophobicContact CD2-CG2 4.21Å; F492-V494 HydrophobicContact CE2-CG2 4.13Å; V494-G498 VanDerWaalsContact CG1-C 3.43Å; V494-L499 WeakPolarHBondContact CA-O 3.43Å; V494-I500 HydrophobicContact CG2-CG1 4.05Å |
| 495 | D | 89.8 | Confident | 90.3 | Very high | 38 Ų | 38 | 55.6 Ų | 55.6 | 20% | 0.203 | 35% | 0.353 | C | S | . | . | trans | -69.9 | 167.1 | -177.5 | -167.7 | 5.1 | 0 | 0 | 0 | 111.7 | G497 G498 L499 H501 F506 K509 F510 | D495-G497 PolarHBondContact O-N 3.23Å; D495-G497 VanDerWaalsContact O-N 3.16Å; D495-G498 PolarHBondContact O-N 3.07Å; D495-L499 PolarHBondContact N-O 3.45Å; D495-H501 IonicContact OD2-CE1 3.36Å; D495-F506 HydrophobicContact CB-CE2 4.31Å; D495-K509 IonicContact OD2-NZ 2.64Å; D495-F510 WeakPolarHBondContact OD2-CZ 3.45Å | ||
| 496 | A | 87.5 | Confident | 90.2 | Very high | 109 Ų | 109 | 52.4 Ų | 52.4 | 90% | 0.901 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -31.4 | -180 | 0 | 0 | 0 | 0 | 0 | 113 | G498 | A496-G498 PolarHBondContact O-N 3.03Š|
| 497 | G | 86.2 | Confident | 90 | Very high | 66 Ų | 66 | 52 Ų | 52 | 68% | 0.68 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | 7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | D495 L499 | D495-G497 PolarHBondContact O-N 3.23Å; D495-G497 VanDerWaalsContact O-N 3.16Å; G497-L499 VanDerWaalsContact C-N 3.27Å; G497-L499 PolarHBondContact O-N 3.34Å |
| 498 | G | 87 | Confident | 89.7 | Confident | 47 Ų | 47 | 58.1 Ų | 58.1 | 49% | 0.485 | 36% | 0.361 | S | S | . | . | S | Bend | trans | 75.6 | 9.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | V494 D495 A496 | V494-G498 VanDerWaalsContact CG1-C 3.43Å; D495-G498 PolarHBondContact O-N 3.07Å; A496-G498 PolarHBondContact O-N 3.03Å |
| 499 | L | 89.5 | Confident | 89.5 | Confident | 87 Ų | 87 | 60 Ų | 60 | 46% | 0.455 | 37% | 0.366 | S | S | . | . | trans | -85.5 | 131.7 | -177.8 | -61.3 | -179.7 | 0 | 0 | 0 | 111.9 | V481 V494 D495 G497 H501 | V481-L499 HydrophobicContact CG1-CB 4.36Å; V481-L499 HydrophobicContact CG1-CD2 4.46Å; V481-L499 HydrophobicContact CG2-CB 4.25Å; V494-L499 WeakPolarHBondContact CA-O 3.43Å; D495-L499 PolarHBondContact N-O 3.45Å; G497-L499 VanDerWaalsContact C-N 3.27Å; G497-L499 PolarHBondContact O-N 3.34Å; L499-H501 PolarHBondContact O-ND1 3.05Å | ||
| 500 | I | 91.4 | Very high | 89.5 | Confident | 15 Ų | 15 | 60.5 Ų | 60.5 | 8% | 0.077 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 125.7 | -175.7 | -56.8 | 155.8 | 0 | 0 | 0 | 110.3 | Y473 F478 V481 L487 F492 V494 | Y473-I500 HydrophobicContact CE1-CD1 3.91Å; F478-I500 HydrophobicContact CD2-CD1 4.04Å; F478-I500 HydrophobicContact CE2-CD1 3.73Å; F478-I500 HydrophobicContact CE2-CG1 4.41Å; F478-I500 HydrophobicContact CE2-CG2 4.07Å; F478-I500 HydrophobicContact CZ-CG2 4.16Å; V481-I500 PolarHBondContact N-O 3.38Å; L487-I500 HydrophobicContact CD1-CG2 3.65Å; F492-I500 HydrophobicContact CD2-CG2 4.11Å; V494-I500 HydrophobicContact CG2-CG1 4.05Å |
| 501 | H | 92.6 | Very high | 89.5 | Confident | 1 Ų | 1 | 58.8 Ų | 58.8 | 1% | 0.005 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 146.3 | 179 | -62.1 | 79.1 | 0 | 0 | 0 | 110.1 | F492 T493 D495 L499 F506 | F492-H501 WeakPolarHBondContact CA-O 3.5Å; T493-H501 HydrophobicContact CG2-CB 4.38Å; T493-H501 PolarHBondContact N-O 2.9Å; T493-H501 PolarHBondContact O-N 3.4Å; T493-H501 VanDerWaalsContact O-O 3.11Å; D495-H501 IonicContact OD2-CE1 3.36Å; L499-H501 PolarHBondContact O-ND1 3.05Å; H501-F506 HydrophobicContact CB-CB 3.95Å; H501-F506 HydrophobicContact CB-CD2 4.25Å |
| 502 | C | 93 | Very high | 89.6 | Confident | 2 Ų | 2 | 56.2 Ų | 56.2 | 1% | 0.014 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 157.7 | 159.8 | 64.9 | 0 | 0 | 0 | 0 | 109.3 | C480 L487 E504 D505 F506 | C480-C502 HydrophobicContact CB-CB 4.41Å; C480-C502 PolarHBondContact SG-N 3.12Å; C480-C502 VanDerWaalsContact SG-N 3.39Å; L487-C502 HydrophobicContact CD2-CB 3.72Å; C502-E504 VanDerWaalsContact C-N 3.25Å; C502-E504 PolarHBondContact O-N 2.97Å; C502-D505 PolarHBondContact O-N 2.82Å; C502-D505 PolarHBondContact SG-N 2.92Å; C502-D505 PolarHBondContact SG-OD2 2.94Å; C502-F506 WeakPolarHBondContact O-CB 3.44Å; C502-F506 PolarHBondContact O-N 3.24Å |
| 503 | I | 89.7 | Confident | 89.5 | Confident | 67 Ų | 67 | 58.6 Ų | 58.6 | 34% | 0.344 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62.1 | -35.9 | 179.2 | -67.4 | 179.7 | 0 | 0 | 0 | 111.3 | P491 F506 H507 | P491-I503 HydrophobicContact CB-CD1 3.77Å; P491-I503 HydrophobicContact CG-CD1 4.21Å; I503-F506 PolarHBondContact O-N 2.84Å; I503-H507 WeakPolarHBondContact CG2-CE1 3.46Å; I503-H507 WeakPolarHBondContact CG2-ND1 3.47Å; I503-H507 WeakPolarHBondContact O-CB 3.44Å; I503-H507 PolarHBondContact O-N 3.49Å |
| 504 | E | 88.1 | Confident | 89.6 | Confident | 107 Ų | 107 | 56.8 Ų | 56.8 | 50% | 0.5 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -55.9 | -58.6 | 176.1 | -63.4 | 167.3 | -144.3 | 0 | 0 | 112.1 | R485 C502 F506 H507 K508 | R485-E504 IonicContact NH1-OE1 2.66Å; R485-E504 PolarHBondContact NH1-OE1 3.09Å; R485-E504 IonicContact NH1-OE2 3.88Å; R485-E504 IonicContact NH2-OE2 2.67Å; C502-E504 VanDerWaalsContact C-N 3.25Å; C502-E504 PolarHBondContact O-N 2.97Å; E504-F506 VanDerWaalsContact C-N 3.35Å; E504-F506 PolarHBondContact O-N 3.35Å; E504-H507 PolarHBondContact O-N 3.17Å; E504-K508 VanDerWaalsContact O-CB 3.27Å; E504-K508 WeakPolarHBondContact O-CB 3.29Å; E504-K508 PolarHBondContact O-N 2.97Å |
| 505 | D | 91 | Very high | 89.6 | Confident | 29 Ų | 29 | 57.5 Ų | 57.5 | 16% | 0.155 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -67.8 | -34.6 | -178.7 | -75 | -38.5 | 0 | 0 | 0 | 112.3 | C480 M482 C483 C502 K508 K509 | C480-D505 PolarHBondContact SG-OD2 3.47Å; C480-D505 VanDerWaalsContact SG-OD2 3.34Å; M482-D505 HydrophobicContact CB-CB 3.84Å; M482-D505 WeakPolarHBondContact CB-OD2 3.3Å; M482-D505 HydrophobicContact CG-CB 4.12Å; C483-D505 WeakPolarHBondContact CB-OD2 3.47Å; C483-D505 PolarHBondContact N-OD2 2.96Å; C483-D505 PolarHBondContact SG-OD2 3.35Å; C502-D505 PolarHBondContact O-N 2.82Å; C502-D505 PolarHBondContact SG-N 2.92Å; C502-D505 PolarHBondContact SG-OD2 2.94Å; D505-K508 PolarHBondContact O-N 3.15Å; D505-K509 VanDerWaalsContact O-CB 3.28Å; D505-K509 WeakPolarHBondContact O-CB 3.33Å; D505-K509 PolarHBondContact O-N 3.47Å |
| 506 | F | 91.3 | Very high | 89.5 | Confident | 45 Ų | 45 | 58.9 Ų | 58.9 | 20% | 0.197 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -64.4 | -49.3 | 176.8 | -173 | -95 | 0 | 0 | 0 | 111.2 | T493 D495 H501 C502 I503 E504 K509 F510 | T493-F506 HydrophobicContact CG2-CB 3.49Å; T493-F506 VanDerWaalsContact CG2-CB 3.49Å; T493-F506 HydrophobicContact CG2-CD1 3.7Å; T493-F506 HydrophobicContact CG2-CD2 3.58Å; T493-F506 HydrophobicContact CG2-CE1 4.32Å; T493-F506 HydrophobicContact CG2-CE2 4.22Å; T493-F506 HydrophobicContact CG2-CG 3.29Å; D495-F506 HydrophobicContact CB-CE2 4.31Å; H501-F506 HydrophobicContact CB-CB 3.95Å; H501-F506 HydrophobicContact CB-CD2 4.25Å; C502-F506 WeakPolarHBondContact O-CB 3.44Å; C502-F506 PolarHBondContact O-N 3.24Å; I503-F506 PolarHBondContact O-N 2.84Å; E504-F506 VanDerWaalsContact C-N 3.35Å; E504-F506 PolarHBondContact O-N 3.35Å; F506-K509 PolarHBondContact O-N 3.25Å; F506-F510 HydrophobicContact CD1-CD2 4.31Å; F506-F510 AromaticContact CD2-CD2 3.46Å; F506-F510 HydrophobicContact CD2-CD2 3.46Å; F506-F510 VanDerWaalsContact CD2-CD2 3.46Å; F506-F510 AromaticContact CD2-CE2 3.62Å; F506-F510 HydrophobicContact CD2-CE2 3.62Å; F506-F510 HydrophobicContact CE1-CD2 4.26Å; F506-F510 AromaticContact CE2-CD2 3.41Å; F506-F510 HydrophobicContact CE2-CD2 3.41Å; F506-F510 VanDerWaalsContact CE2-CD2 3.41Å; F506-F510 AromaticContact CE2-CE2 3.5Å; F506-F510 HydrophobicContact CE2-CE2 3.5Å; F506-F510 HydrophobicContact CE2-CG 4.4Å; F506-F510 AromaticContact CG-CD2 3.93Å; F506-F510 HydrophobicContact CG-CD2 3.93Å; F506-F510 HydrophobicContact CG-CE2 4.48Å; F506-F510 AromaticContact CZ-CD2 3.83Å; F506-F510 HydrophobicContact CZ-CD2 3.83Å; F506-F510 HydrophobicContact CZ-CE2 4.3Å; F506-F510 HydrophobicContact CZ-CG 4.45Å; F506-F510 WeakPolarHBondContact O-CB 3.43Å; F506-F510 WeakPolarHBondContact O-CD2 3.4Å; F506-F510 PolarHBondContact O-N 3.41Å |
| 507 | H | 88.2 | Confident | 89.7 | Confident | 46 Ų | 46 | 56.3 Ų | 56.3 | 21% | 0.213 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.5 | -41.2 | 174.9 | -69.3 | 167 | 0 | 0 | 0 | 111.7 | I503 E504 K509 F510 A511 M522 | I503-H507 WeakPolarHBondContact CG2-CE1 3.46Å; I503-H507 WeakPolarHBondContact CG2-ND1 3.47Å; I503-H507 WeakPolarHBondContact O-CB 3.44Å; I503-H507 PolarHBondContact O-N 3.49Å; E504-H507 PolarHBondContact O-N 3.17Å; H507-K509 PolarHBondContact O-N 3.31Å; H507-F510 PolarHBondContact O-N 3.21Å; H507-A511 HydrophobicContact CB-CB 4.35Å; H507-A511 WeakPolarHBondContact O-CA 3.46Å; H507-A511 WeakPolarHBondContact O-CB 3.34Å; H507-A511 PolarHBondContact O-N 3.3Å; H507-M522 HydrophobicContact CB-CG 4.01Å; H507-M522 HydrophobicContact CB-SD 3.75Å |
| 508 | K | 87.1 | Confident | 89.9 | Confident | 132 Ų | 132 | 59.3 Ų | 59.3 | 57% | 0.574 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -59.1 | -30.5 | 176.5 | -172.3 | 175.1 | -177.9 | 178.6 | 0 | 113.7 | E504 D505 R513 | E504-K508 VanDerWaalsContact O-CB 3.27Å; E504-K508 WeakPolarHBondContact O-CB 3.29Å; E504-K508 PolarHBondContact O-N 2.97Å; D505-K508 PolarHBondContact O-N 3.15Å; K508-R513 PolarHBondContact O-NH2 2.9Å |
| 509 | K | 86.2 | Confident | 90.1 | Very high | 101 Ų | 101 | 62.6 Ų | 62.6 | 44% | 0.439 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -87.7 | -38.5 | 178.6 | -175.7 | 178.6 | 171.6 | -163.2 | 0 | 113.6 | D495 D505 F506 H507 | D495-K509 IonicContact OD2-NZ 2.64Å; D505-K509 VanDerWaalsContact O-CB 3.28Å; D505-K509 WeakPolarHBondContact O-CB 3.33Å; D505-K509 PolarHBondContact O-N 3.47Å; F506-K509 PolarHBondContact O-N 3.25Å; H507-K509 PolarHBondContact O-N 3.31Å |
| 510 | F | 87.2 | Confident | 90.2 | Very high | 94 Ų | 94 | 59.1 Ų | 59.1 | 41% | 0.412 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -119.4 | -8.7 | -167 | -62.1 | -68.5 | 0 | 0 | 0 | 115.9 | D495 F506 H507 | D495-F510 WeakPolarHBondContact OD2-CZ 3.45Å; F506-F510 HydrophobicContact CD1-CD2 4.31Å; F506-F510 AromaticContact CD2-CD2 3.46Å; F506-F510 HydrophobicContact CD2-CD2 3.46Å; F506-F510 VanDerWaalsContact CD2-CD2 3.46Å; F506-F510 AromaticContact CD2-CE2 3.62Å; F506-F510 HydrophobicContact CD2-CE2 3.62Å; F506-F510 HydrophobicContact CE1-CD2 4.26Å; F506-F510 AromaticContact CE2-CD2 3.41Å; F506-F510 HydrophobicContact CE2-CD2 3.41Å; F506-F510 VanDerWaalsContact CE2-CD2 3.41Å; F506-F510 AromaticContact CE2-CE2 3.5Å; F506-F510 HydrophobicContact CE2-CE2 3.5Å; F506-F510 HydrophobicContact CE2-CG 4.4Å; F506-F510 AromaticContact CG-CD2 3.93Å; F506-F510 HydrophobicContact CG-CD2 3.93Å; F506-F510 HydrophobicContact CG-CE2 4.48Å; F506-F510 AromaticContact CZ-CD2 3.83Å; F506-F510 HydrophobicContact CZ-CD2 3.83Å; F506-F510 HydrophobicContact CZ-CE2 4.3Å; F506-F510 HydrophobicContact CZ-CG 4.45Å; F506-F510 WeakPolarHBondContact O-CB 3.43Å; F506-F510 WeakPolarHBondContact O-CD2 3.4Å; F506-F510 PolarHBondContact O-N 3.41Å; H507-F510 PolarHBondContact O-N 3.21Å |
| 511 | A | 89.4 | Confident | 90.1 | Very high | 18 Ų | 18 | 58.6 Ų | 58.6 | 15% | 0.149 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -71 | 148.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | H507 P520 | H507-A511 HydrophobicContact CB-CB 4.35Å; H507-A511 WeakPolarHBondContact O-CA 3.46Å; H507-A511 WeakPolarHBondContact O-CB 3.34Å; H507-A511 PolarHBondContact O-N 3.3Å; A511-P520 HydrophobicContact CB-CB 4.03Å |
| 512 | P | 90.1 | Very high | 89.8 | Confident | 37 Ų | 37 | 63.1 Ų | 63.1 | 24% | 0.24 | 31% | 0.307 | C | S | . | . | trans | -58.5 | 145.6 | 172.6 | 24.9 | -33.5 | 0 | 0 | 0 | 110.8 | P520 I521 D539 | P512-P520 WeakPolarHBondContact O-CA 3.43Å; P512-I521 PolarHBondContact O-N 2.85Å; P512-D539 HydrophobicContact CB-CB 4.14Å; P512-D539 WeakPolarHBondContact CB-OD2 3.49Å | ||
| 513 | R | 92 | Very high | 89.2 | Confident | 129 Ų | 129 | 64.5 Ų | 64.5 | 49% | 0.487 | 32% | 0.316 | S | S | . | . | B | Isolated β-bridge | trans | -105.4 | 134.4 | -177.4 | -71.3 | 179.2 | 173.8 | -82.9 | -9.1 | 110.5 | K508 S515 K518 E519 | K508-R513 PolarHBondContact O-NH2 2.9Å; R513-S515 PolarHBondContact O-N 2.66Å; R513-K518 WeakPolarHBondContact CD-O 3.24Å; R513-K518 PolarHBondContact NH1-O 3.45Å; R513-E519 WeakPolarHBondContact CA-O 3.4Å |
| 514 | C | 92.9 | Very high | 88.7 | Confident | 1 Ų | 1 | 63.6 Ų | 63.6 | 1% | 0.007 | 32% | 0.319 | C | S | . | . | trans | -66 | 132.3 | 177.9 | 172 | 0 | 0 | 0 | 0 | 111.2 | V516 K518 E519 I521 D539 H541 C544 | C514-V516 PolarHBondContact O-N 3.3Å; C514-V516 VanDerWaalsContact O-N 3.15Å; C514-V516 PolarHBondContact SG-N 3.15Å; C514-K518 WeakPolarHBondContact O-CA 3.36Å; C514-K518 PolarHBondContact O-N 3.18Å; C514-E519 PolarHBondContact N-O 3.5Å; C514-I521 HydrophobicContact CB-CD1 4.23Å; C514-I521 HydrophobicContact CB-CG1 4.18Å; C514-D539 CarbonylContact C-O 3.59Å; C514-D539 VanDerWaalsContact CA-O 3.3Å; C514-D539 WeakPolarHBondContact CA-O 3.11Å; C514-H541 WeakPolarHBondContact CB-ND1 3.4Å; C514-C544 WeakPolarHBondContact SG-CB 3.43Å | ||
| 515 | S | 90.4 | Very high | 88 | Confident | 37 Ų | 37 | 65.2 Ų | 65.2 | 26% | 0.259 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -21.2 | 179.9 | -173.6 | 0 | 0 | 0 | 0 | 114 | R513 K518 D539 | R513-S515 PolarHBondContact O-N 2.66Å; S515-K518 WeakPolarHBondContact O-CE 3.28Å; S515-K518 PolarHBondContact O-NZ 3.02Å; S515-D539 PolarHBondContact N-O 3.3Å |
| 516 | V | 89.3 | Confident | 87.2 | Confident | 67 Ų | 67 | 68 Ų | 68 | 41% | 0.406 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | -64.8 | 178.7 | 179.7 | 0 | 0 | 0 | 0 | 111.4 | C514 F540 C544 | C514-V516 PolarHBondContact O-N 3.3Å; C514-V516 VanDerWaalsContact O-N 3.15Å; C514-V516 PolarHBondContact SG-N 3.15Å; V516-F540 HydrophobicContact CG2-CD1 3.89Å; V516-F540 HydrophobicContact CG2-CE1 3.87Å; V516-C544 HydrophobicContact CB-CB 4.09Å; V516-C544 HydrophobicContact CG2-CB 4.33Å |
| 517 | C | 91.4 | Very high | 86.5 | Confident | 55 Ų | 55 | 71.5 Ų | 71.5 | 37% | 0.372 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -7.7 | -173.3 | 64.3 | 0 | 0 | 0 | 0 | 114.9 | E519 H541 | C517-E519 PolarHBondContact O-N 2.89Å; C517-H541 PolarHBondContact SG-CE1 3.1Å; C517-H541 PolarHBondContact SG-ND1 3.47Å; C517-H541 VanDerWaalsContact SG-ND1 3.38Å |
| 518 | K | 90.5 | Very high | 85.5 | Confident | 128 Ų | 128 | 78.2 Ų | 78.2 | 56% | 0.557 | 42% | 0.422 | S | S | * | . | trans | 63.2 | -6.3 | -177.6 | -47 | -52.5 | -173 | -172.4 | 0 | 116.4 | R513 C514 S515 | R513-K518 WeakPolarHBondContact CD-O 3.24Å; R513-K518 PolarHBondContact NH1-O 3.45Å; C514-K518 WeakPolarHBondContact O-CA 3.36Å; C514-K518 PolarHBondContact O-N 3.18Å; S515-K518 WeakPolarHBondContact O-CE 3.28Å; S515-K518 PolarHBondContact O-NZ 3.02Å | ||
| 519 | E | 90.8 | Very high | 85.1 | Confident | 116 Ų | 116 | 75.4 Ų | 75.4 | 54% | 0.542 | 41% | 0.412 | S | S | . | . | trans | -68.8 | 152 | 172.4 | -68.6 | -53.4 | 147.4 | 0 | 0 | 112.7 | R513 C514 C517 H541 | R513-E519 WeakPolarHBondContact CA-O 3.4Å; C514-E519 PolarHBondContact N-O 3.5Å; C517-E519 PolarHBondContact O-N 2.89Å; E519-H541 PolarHBondContact O-CE1 3.28Å | ||
| 520 | P | 90.9 | Very high | 84.9 | Confident | 14 Ų | 14 | 71.8 Ų | 71.8 | 9% | 0.091 | 40% | 0.398 | C | S | . | . | B | Isolated β-bridge | trans | -68 | 146.6 | 176.7 | 29 | -32.6 | 0 | 0 | 0 | 111.6 | A511 P512 M522 H541 | A511-P520 HydrophobicContact CB-CB 4.03Å; P512-P520 WeakPolarHBondContact O-CA 3.43Å; P520-M522 HydrophobicContact CB-CG 4.1Å; P520-M522 HydrophobicContact CG-CG 4.11Å; P520-M522 HydrophobicContact CG-SD 4.37Å; P520-M522 PolarHBondContact O-N 2.87Å; P520-H541 PolarHBondContact O-NE2 2.86Å |
| 521 | I | 89.8 | Confident | 84.9 | Confident | 4 Ų | 4 | 71.1 Ų | 71.1 | 2% | 0.021 | 40% | 0.401 | C | S | . | . | trans | -91.2 | 85.4 | 176.2 | -51.1 | 168.6 | 0 | 0 | 0 | 107.9 | P512 C514 R532 D539 | P512-I521 PolarHBondContact O-N 2.85Å; C514-I521 HydrophobicContact CB-CD1 4.23Å; C514-I521 HydrophobicContact CB-CG1 4.18Å; I521-R532 HydrophobicContact CD1-CB 3.97Å; I521-R532 HydrophobicContact CG2-CB 3.84Å; I521-D539 HydrophobicContact CD1-CB 3.65Å | ||
| 522 | M | 85.6 | Confident | 84.9 | Confident | 96 Ų | 96 | 71.7 Ų | 71.7 | 47% | 0.473 | 40% | 0.4 | S | S | . | . | P | Polyproline II helix | trans | -90.8 | 152.3 | 178.5 | -55.8 | -159.5 | -57 | 0 | 0 | 111.1 | H507 P520 | H507-M522 HydrophobicContact CB-CG 4.01Å; H507-M522 HydrophobicContact CB-SD 3.75Å; P520-M522 HydrophobicContact CB-CG 4.1Å; P520-M522 HydrophobicContact CG-CG 4.11Å; P520-M522 HydrophobicContact CG-SD 4.37Å; P520-M522 PolarHBondContact O-N 2.87Å |
| 523 | P | 82.2 | Confident | 84.8 | Confident | 32 Ų | 32 | 71 Ų | 71 | 21% | 0.208 | 39% | 0.394 | C | S | . | . | P | Polyproline II helix | trans | -73.7 | 158.4 | 176.1 | 31.8 | -33.2 | 0 | 0 | 0 | 110.9 | E529 T530 | P523-E529 WeakPolarHBondContact CB-O 3.42Å; P523-T530 HydrophobicContact CB-CG2 3.8Å; P523-T530 HydrophobicContact CG-CG2 3.98Å |
| 524 | A | 78.3 | Confident | 84.7 | Confident | 47 Ų | 47 | 67.5 Ų | 67.5 | 39% | 0.388 | 39% | 0.386 | S | S | . | . | P | Polyproline II helix | trans | -65.9 | 147.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | G526 Q527 | A524-G526 PolarHBondContact O-N 3.3Å; A524-G526 VanDerWaalsContact O-N 3.09Å; A524-Q527 HydrophobicContact CB-CB 4.45Å; A524-Q527 HydrophobicContact CB-CG 4.26Å; A524-Q527 PolarHBondContact O-N 3.38Å |
| 525 | P | 73.6 | Confident | 84.4 | Confident | 141 Ų | 141 | 68.2 Ų | 68.2 | 92% | 0.916 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | 117.6 | 176.7 | -25.6 | 35.1 | 0 | 0 | 0 | 111.7 | ||
| 526 | G | 73.9 | Confident | 84.2 | Confident | 88 Ų | 88 | 69.9 Ų | 69.9 | 91% | 0.907 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94.3 | -0.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | A524 | A524-G526 PolarHBondContact O-N 3.3Å; A524-G526 VanDerWaalsContact O-N 3.09Å |
| 527 | Q | 76.1 | Confident | 84.1 | Confident | 118 Ų | 118 | 74.7 Ų | 74.7 | 55% | 0.551 | 42% | 0.421 | S | S | * | . | trans | -103.1 | 134 | 168.2 | -66.2 | -177.5 | -8 | 0 | 0 | 110.4 | A524 E529 | A524-Q527 HydrophobicContact CB-CB 4.45Å; A524-Q527 HydrophobicContact CB-CG 4.26Å; A524-Q527 PolarHBondContact O-N 3.38Å; Q527-E529 VanDerWaalsContact C-N 3.33Å | ||
| 528 | E | 68.9 | Low | 84 | Confident | 187 Ų | 187 | 77.1 Ų | 77.1 | 87% | 0.874 | 42% | 0.423 | S | S | * | . | trans | -83.8 | -9.8 | 176.1 | -61.2 | -168.6 | 159.6 | 0 | 0 | 113.1 | ||||
| 529 | E | 78.2 | Confident | 84.1 | Confident | 74 Ų | 74 | 72.7 Ų | 72.7 | 35% | 0.346 | 41% | 0.405 | S | S | . | . | trans | -113.1 | 136.5 | -169.4 | -171.3 | 145.9 | -101.5 | 0 | 0 | 112.3 | T16 P523 Q527 | T16-E529 WeakPolarHBondContact CB-OE1 3.44Å; T16-E529 HydrophobicContact CG2-CG 4.31Å; T16-E529 WeakPolarHBondContact CG2-OE2 3.48Å; P523-E529 WeakPolarHBondContact CB-O 3.42Å; Q527-E529 VanDerWaalsContact C-N 3.33Å | ||
| 530 | T | 81.9 | Confident | 84.1 | Confident | 25 Ų | 25 | 67.6 Ų | 67.6 | 15% | 0.153 | 38% | 0.381 | C | S | . | . | trans | -99.1 | 104.1 | 176.7 | 49.7 | 0 | 0 | 0 | 0 | 110.7 | P523 R532 | P523-T530 HydrophobicContact CB-CG2 3.8Å; P523-T530 HydrophobicContact CG-CG2 3.98Å; T530-R532 PolarHBondContact O-N 3.14Å | ||
| 531 | V | 86.4 | Confident | 84.1 | Confident | 79 Ų | 79 | 69.1 Ų | 69.1 | 48% | 0.479 | 39% | 0.387 | S | S | . | . | trans | -75.1 | 108.5 | 170 | -175.5 | 0 | 0 | 0 | 0 | 108.8 | V542 | V531-V542 HydrophobicContact CG1-CG2 3.76Š| ||
| 532 | R | 89.6 | Confident | 84.1 | Confident | 31 Ų | 31 | 70.8 Ų | 70.8 | 12% | 0.117 | 40% | 0.398 | C | S | . | . | trans | -131.4 | 145.7 | 172.4 | 77.8 | -172.8 | -158.7 | -104 | 5.7 | 110.9 | Q17 I521 T530 V534 D539 | Q17-R532 VanDerWaalsContact CD-NH1 3.33Å; Q17-R532 VanDerWaalsContact OE1-CZ 3.3Å; I521-R532 HydrophobicContact CD1-CB 3.97Å; I521-R532 HydrophobicContact CG2-CB 3.84Å; T530-R532 PolarHBondContact O-N 3.14Å; R532-V534 HydrophobicContact CG-CG2 4.47Å; R532-D539 WeakPolarHBondContact CD-OD1 3.48Å; R532-D539 IonicContact CZ-OD1 3.95Å; R532-D539 IonicContact NE-OD1 2.82Å; R532-D539 PolarHBondContact NE-OD1 2.82Å; R532-D539 IonicContact NH2-OD1 3.63Å | ||
| 533 | I | 88.8 | Confident | 84.2 | Confident | 22 Ų | 22 | 73.1 Ų | 73.1 | 11% | 0.113 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 131.8 | 178.1 | -58.9 | 176.6 | 0 | 0 | 0 | 107.8 | D539 F540 V542 Y545 S555 | I533-D539 CarbonylContact O-C 3.52Å; I533-D539 WeakPolarHBondContact O-CA 3.41Å; I533-F540 HydrophobicContact CB-CB 4.45Å; I533-F540 PolarHBondContact N-O 3.08Å; I533-F540 PolarHBondContact O-N 2.62Å; I533-V542 HydrophobicContact CD1-CG1 4.48Å; I533-V542 HydrophobicContact CD1-CG2 4.45Å; I533-Y545 HydrophobicContact CB-CD2 4.42Å; I533-Y545 HydrophobicContact CB-CG 4.26Å; I533-Y545 HydrophobicContact CD1-CD1 3.48Å; I533-Y545 VanDerWaalsContact CD1-CD1 3.48Å; I533-Y545 HydrophobicContact CD1-CE1 4.18Å; I533-Y545 HydrophobicContact CD1-CG 3.76Å; I533-Y545 HydrophobicContact CG2-CD1 3.88Å; I533-Y545 HydrophobicContact CG2-CD2 3.74Å; I533-Y545 HydrophobicContact CG2-CE1 3.79Å; I533-Y545 HydrophobicContact CG2-CE2 3.67Å; I533-Y545 HydrophobicContact CG2-CG 3.82Å; I533-S555 WeakPolarHBondContact CD1-OG 3.26Å |
| 534 | V | 89.6 | Confident | 84.6 | Confident | 55 Ų | 55 | 72.5 Ų | 72.5 | 33% | 0.333 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 122 | 178.9 | -175.2 | 0 | 0 | 0 | 0 | 108.5 | R532 R538 | R532-V534 HydrophobicContact CG-CG2 4.47Å; V534-R538 WeakPolarHBondContact CA-O 3.37Å |
| 535 | A | 86.9 | Confident | 85.1 | Confident | 16 Ų | 16 | 71 Ų | 71 | 13% | 0.132 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 140.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | D537 R538 F540 Y545 I569 | A535-D537 PolarHBondContact O-N 2.92Å; A535-R538 PolarHBondContact N-O 3.36Å; A535-R538 WeakPolarHBondContact O-CB 3.44Å; A535-R538 PolarHBondContact O-N 3.2Å; A535-F540 HydrophobicContact CB-CE2 4.22Å; A535-Y545 HydrophobicContact CB-CE2 3.86Å; A535-I569 HydrophobicContact CB-CD1 4.25Å |
| 536 | L | 86.1 | Confident | 85.9 | Confident | 72 Ų | 72 | 69.7 Ų | 69.7 | 38% | 0.377 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.7 | 42.3 | -176 | -67.6 | 177.4 | 0 | 0 | 0 | 113.3 | R538 P564 I569 | L536-R538 WeakPolarHBondContact O-CG 3.46Å; L536-R538 PolarHBondContact O-N 3.1Å; L536-R538 VanDerWaalsContact O-N 3.08Å; L536-P564 HydrophobicContact CD1-CB 3.87Å; L536-P564 HydrophobicContact CD2-CB 3.66Å; L536-P564 HydrophobicContact CD2-CG 4.41Å; L536-P564 HydrophobicContact CG-CB 3.91Å; L536-I569 HydrophobicContact CD1-CG1 3.94Å |
| 537 | D | 86.8 | Confident | 86.6 | Confident | 168 Ų | 168 | 65.5 Ų | 65.5 | 90% | 0.898 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.8 | 27.8 | -176.5 | -54.3 | -44.3 | 0 | 0 | 0 | 114.6 | A535 | A535-D537 PolarHBondContact O-N 2.92Š|
| 538 | R | 89.8 | Confident | 87.2 | Confident | 106 Ų | 106 | 64.8 Ų | 64.8 | 40% | 0.4 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 141.9 | 177.3 | -66.2 | 161.1 | -176 | 171.7 | 3.6 | 110.1 | V534 A535 L536 F540 G567 | V534-R538 WeakPolarHBondContact CA-O 3.37Å; A535-R538 PolarHBondContact N-O 3.36Å; A535-R538 WeakPolarHBondContact O-CB 3.44Å; A535-R538 PolarHBondContact O-N 3.2Å; L536-R538 WeakPolarHBondContact O-CG 3.46Å; L536-R538 PolarHBondContact O-N 3.1Å; L536-R538 VanDerWaalsContact O-N 3.08Å; R538-F540 HydrophobicContact CB-CE2 3.61Å; R538-F540 HydrophobicContact CB-CZ 3.75Å; R538-F540 WeakPolarHBondContact O-CD2 3.45Å; R538-F540 VanDerWaalsContact O-CE2 3.28Å; R538-F540 WeakPolarHBondContact O-CE2 3.34Å; R538-G567 PolarHBondContact NH1-O 2.94Å |
| 539 | D | 91.9 | Very high | 88.1 | Confident | 36 Ų | 36 | 59.5 Ų | 59.5 | 19% | 0.193 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 149.1 | 172.4 | -56.9 | -81.3 | 0 | 0 | 0 | 112.1 | P512 C514 S515 I521 R532 I533 | P512-D539 HydrophobicContact CB-CB 4.14Å; P512-D539 WeakPolarHBondContact CB-OD2 3.49Å; C514-D539 CarbonylContact C-O 3.59Å; C514-D539 VanDerWaalsContact CA-O 3.3Å; C514-D539 WeakPolarHBondContact CA-O 3.11Å; S515-D539 PolarHBondContact N-O 3.3Å; I521-D539 HydrophobicContact CD1-CB 3.65Å; R532-D539 WeakPolarHBondContact CD-OD1 3.48Å; R532-D539 IonicContact CZ-OD1 3.95Å; R532-D539 IonicContact NE-OD1 2.82Å; R532-D539 PolarHBondContact NE-OD1 2.82Å; R532-D539 IonicContact NH2-OD1 3.63Å; I533-D539 CarbonylContact O-C 3.52Å; I533-D539 WeakPolarHBondContact O-CA 3.41Å |
| 540 | F | 91.1 | Very high | 88.6 | Confident | 9 Ų | 9 | 59.6 Ų | 59.6 | 4% | 0.039 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 140 | 177.2 | -56.7 | -94.1 | 0 | 0 | 0 | 112.2 | V516 I533 A535 R538 Y545 I569 | V516-F540 HydrophobicContact CG2-CD1 3.89Å; V516-F540 HydrophobicContact CG2-CE1 3.87Å; I533-F540 HydrophobicContact CB-CB 4.45Å; I533-F540 PolarHBondContact N-O 3.08Å; I533-F540 PolarHBondContact O-N 2.62Å; A535-F540 HydrophobicContact CB-CE2 4.22Å; R538-F540 HydrophobicContact CB-CE2 3.61Å; R538-F540 HydrophobicContact CB-CZ 3.75Å; R538-F540 WeakPolarHBondContact O-CD2 3.45Å; R538-F540 VanDerWaalsContact O-CE2 3.28Å; R538-F540 WeakPolarHBondContact O-CE2 3.34Å; F540-Y545 HydrophobicContact CB-CD2 4.41Å; F540-Y545 HydrophobicContact CD2-CD2 4.22Å; F540-Y545 HydrophobicContact CG-CD2 4.23Å; F540-I569 HydrophobicContact CE1-CD1 4.04Å; F540-I569 HydrophobicContact CE2-CD1 3.72Å; F540-I569 HydrophobicContact CZ-CD1 3.34Å |
| 541 | H | 90.9 | Very high | 88.8 | Confident | 45 Ų | 45 | 60.5 Ų | 60.5 | 21% | 0.208 | 32% | 0.317 | C | S | . | . | trans | -63.7 | 149.6 | 158 | -56 | 95.1 | 0 | 0 | 0 | 109 | C514 C517 E519 P520 H543 C544 Y545 | C514-H541 WeakPolarHBondContact CB-ND1 3.4Å; C517-H541 PolarHBondContact SG-CE1 3.1Å; C517-H541 PolarHBondContact SG-ND1 3.47Å; C517-H541 VanDerWaalsContact SG-ND1 3.38Å; E519-H541 PolarHBondContact O-CE1 3.28Å; P520-H541 PolarHBondContact O-NE2 2.86Å; H541-H543 VanDerWaalsContact C-N 3.3Å; H541-H543 PolarHBondContact O-N 3.33Å; H541-C544 HydrophobicContact CB-CB 4.19Å; H541-C544 WeakPolarHBondContact O-CA 3.42Å; H541-C544 WeakPolarHBondContact O-CB 3.34Å; H541-C544 PolarHBondContact O-N 2.89Å; H541-Y545 PolarHBondContact O-N 3.04Å; H541-Y545 VanDerWaalsContact O-N 3.16Å | ||
| 542 | V | 88.9 | Confident | 88.8 | Confident | 40 Ų | 40 | 58.1 Ų | 58.1 | 24% | 0.242 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -50.4 | -47.7 | 178.9 | -176.9 | 0 | 0 | 0 | 0 | 112 | V531 I533 C544 Y545 | V531-V542 HydrophobicContact CG1-CG2 3.76Å; I533-V542 HydrophobicContact CD1-CG1 4.48Å; I533-V542 HydrophobicContact CD1-CG2 4.45Å; V542-C544 VanDerWaalsContact C-N 3.28Å; V542-C544 PolarHBondContact O-N 3.04Å; V542-Y545 PolarHBondContact O-N 3.16Å |
| 543 | H | 88.3 | Confident | 88.7 | Confident | 145 Ų | 145 | 60 Ų | 60 | 67% | 0.671 | 32% | 0.321 | S | S | * | . | G | 310 helix | trans | -74.5 | -11.2 | 179 | -47.7 | -55.5 | 0 | 0 | 0 | 115 | H541 | H541-H543 VanDerWaalsContact C-N 3.3Å; H541-H543 PolarHBondContact O-N 3.33Å |
| 544 | C | 89.9 | Confident | 88.4 | Confident | 18 Ų | 18 | 59.1 Ų | 59.1 | 12% | 0.122 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -93.6 | -11.4 | 173.5 | -73.7 | 0 | 0 | 0 | 0 | 112.7 | C514 V516 H541 V542 R546 | C514-C544 WeakPolarHBondContact SG-CB 3.43Å; V516-C544 HydrophobicContact CB-CB 4.09Å; V516-C544 HydrophobicContact CG2-CB 4.33Å; H541-C544 HydrophobicContact CB-CB 4.19Å; H541-C544 WeakPolarHBondContact O-CA 3.42Å; H541-C544 WeakPolarHBondContact O-CB 3.34Å; H541-C544 PolarHBondContact O-N 2.89Å; V542-C544 VanDerWaalsContact C-N 3.28Å; V542-C544 PolarHBondContact O-N 3.04Å; C544-R546 PolarHBondContact O-N 2.79Å; C544-R546 VanDerWaalsContact O-N 3.1Å |
| 545 | Y | 90.3 | Very high | 87.8 | Confident | 15 Ų | 15 | 59 Ų | 59 | 6% | 0.059 | 32% | 0.318 | C | S | . | . | trans | -83.9 | 82 | 178.3 | -172.5 | -118.4 | 0 | 0 | 0 | 110.6 | I533 A535 F540 H541 V542 L554 C562 I569 | I533-Y545 HydrophobicContact CB-CD2 4.42Å; I533-Y545 HydrophobicContact CB-CG 4.26Å; I533-Y545 HydrophobicContact CD1-CD1 3.48Å; I533-Y545 VanDerWaalsContact CD1-CD1 3.48Å; I533-Y545 HydrophobicContact CD1-CE1 4.18Å; I533-Y545 HydrophobicContact CD1-CG 3.76Å; I533-Y545 HydrophobicContact CG2-CD1 3.88Å; I533-Y545 HydrophobicContact CG2-CD2 3.74Å; I533-Y545 HydrophobicContact CG2-CE1 3.79Å; I533-Y545 HydrophobicContact CG2-CE2 3.67Å; I533-Y545 HydrophobicContact CG2-CG 3.82Å; A535-Y545 HydrophobicContact CB-CE2 3.86Å; F540-Y545 HydrophobicContact CB-CD2 4.41Å; F540-Y545 HydrophobicContact CD2-CD2 4.22Å; F540-Y545 HydrophobicContact CG-CD2 4.23Å; H541-Y545 PolarHBondContact O-N 3.04Å; H541-Y545 VanDerWaalsContact O-N 3.16Å; V542-Y545 PolarHBondContact O-N 3.16Å; Y545-L554 HydrophobicContact CD1-CB 3.65Å; Y545-L554 HydrophobicContact CE1-CB 3.54Å; Y545-L554 VanDerWaalsContact CE1-O 3.32Å; Y545-L554 WeakPolarHBondContact CE1-O 3.46Å; Y545-L554 HydrophobicContact CG-CB 4.38Å; Y545-L554 PolarHBondContact O-N 2.91Å; Y545-C562 VanDerWaalsContact OH-CB 3.26Å; Y545-C562 WeakPolarHBondContact OH-CB 3.46Å; Y545-C562 PolarHBondContact OH-SG 3.41Å; Y545-I569 HydrophobicContact CE2-CG2 4.28Å | ||
| 546 | R | 89.6 | Confident | 86.9 | Confident | 114 Ų | 114 | 65.5 Ų | 65.5 | 43% | 0.43 | 35% | 0.346 | S | S | . | . | B | Isolated β-bridge | trans | -133.5 | 155 | -175 | 61.9 | -178.8 | 178 | -118.6 | 3.3 | 112.3 | C544 E548 G551 G552 L553 | C544-R546 PolarHBondContact O-N 2.79Å; C544-R546 VanDerWaalsContact O-N 3.1Å; R546-E548 PolarHBondContact O-N 3.16Å; R546-G551 WeakPolarHBondContact CB-O 3.47Å; R546-G552 CarbonylContact C-O 3.53Å; R546-G552 VanDerWaalsContact CA-O 3.23Å; R546-G552 WeakPolarHBondContact CA-O 3.32Å; R546-G552 WeakPolarHBondContact CB-O 3.35Å; R546-L553 HydrophobicContact CB-CD2 4.42Å |
| 547 | C | 89.3 | Confident | 85.6 | Confident | 1 Ų | 1 | 64.3 Ų | 64.3 | 1% | 0.007 | 35% | 0.351 | C | S | . | . | trans | -61.5 | 129.7 | 173.2 | -178 | 0 | 0 | 0 | 0 | 110.6 | D549 C550 G551 G552 L554 C571 C574 | C547-D549 VanDerWaalsContact C-N 3.3Å; C547-D549 PolarHBondContact O-N 2.82Å; C547-C550 VanDerWaalsContact CB-SG 3.54Å; C547-G551 VanDerWaalsContact O-CA 3.29Å; C547-G551 WeakPolarHBondContact O-CA 3.23Å; C547-G551 PolarHBondContact O-N 3.11Å; C547-G552 PolarHBondContact N-O 3.25Å; C547-L554 HydrophobicContact CB-CD2 4.28Å; C547-C571 HydrophobicContact CB-CB 4.08Å; C547-C571 PolarHBondContact SG-N 3.33Å; C547-C574 VanDerWaalsContact SG-SG 3.67Å | ||
| 548 | E | 87.3 | Confident | 84.1 | Confident | 102 Ų | 102 | 64.2 Ų | 64.2 | 48% | 0.477 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -32 | 178.7 | -70.5 | 175.2 | -128.3 | 0 | 0 | 113 | R546 H568 I569 L570 | R546-E548 PolarHBondContact O-N 3.16Å; E548-H568 VanDerWaalsContact OE1-CA 3.24Å; E548-H568 WeakPolarHBondContact OE1-CA 3.37Å; E548-H568 IonicContact OE1-ND1 3.46Å; E548-H568 IonicContact OE2-CE1 3.03Å; E548-H568 IonicContact OE2-CG 3.68Å; E548-H568 IonicContact OE2-ND1 3.28Å; E548-H568 PolarHBondContact OE2-ND1 3.31Å; E548-I569 PolarHBondContact N-O 3.23Å; E548-I569 VanDerWaalsContact N-O 3.08Å; E548-I569 PolarHBondContact OE1-N 3.05Å; E548-L570 HydrophobicContact CB-CD2 4.39Å |
| 549 | D | 88.7 | Confident | 82.3 | Confident | 77 Ų | 77 | 64.6 Ų | 64.6 | 41% | 0.412 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -22.6 | -173.7 | -73.4 | 9.6 | 0 | 0 | 0 | 114.2 | C547 L570 C574 R578 | C547-D549 VanDerWaalsContact C-N 3.3Å; C547-D549 PolarHBondContact O-N 2.82Å; D549-L570 HydrophobicContact CB-CD2 4.1Å; D549-C574 HydrophobicContact CB-CB 3.79Å; D549-R578 IonicContact OD1-CZ 3.65Å; D549-R578 IonicContact OD1-NH2 3.66Å; D549-R578 PolarHBondContact OD1-NH2 2.87Å; D549-R578 IonicContact OD2-CZ 3.52Å; D549-R578 IonicContact OD2-NE 3.61Å; D549-R578 IonicContact OD2-NH2 2.63Å; D549-R578 PolarHBondContact OD2-NH2 2.87Å |
| 550 | C | 88.6 | Confident | 81 | Confident | 76 Ų | 76 | 67.3 Ų | 67.3 | 51% | 0.514 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -134.7 | -0.7 | -177 | 72.3 | 0 | 0 | 0 | 0 | 115.3 | C547 G552 | C547-C550 VanDerWaalsContact CB-SG 3.54Å; C550-G552 PolarHBondContact O-N 3.5Å |
| 551 | G | 86 | Confident | 80 | Confident | 43 Ų | 43 | 68.3 Ų | 68.3 | 44% | 0.443 | 39% | 0.385 | S | S | . | . | trans | 70.5 | -7.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | R546 C547 | R546-G551 WeakPolarHBondContact CB-O 3.47Å; C547-G551 VanDerWaalsContact O-CA 3.29Å; C547-G551 WeakPolarHBondContact O-CA 3.23Å; C547-G551 PolarHBondContact O-N 3.11Å | ||
| 552 | G | 86.2 | Confident | 79.6 | Confident | 29 Ų | 29 | 67.7 Ų | 67.7 | 30% | 0.299 | 39% | 0.385 | S | S | . | . | trans | -64.1 | 138.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | R546 C547 C550 | R546-G552 CarbonylContact C-O 3.53Å; R546-G552 VanDerWaalsContact CA-O 3.23Å; R546-G552 WeakPolarHBondContact CA-O 3.32Å; R546-G552 WeakPolarHBondContact CB-O 3.35Å; C547-G552 PolarHBondContact N-O 3.25Å; C550-G552 PolarHBondContact O-N 3.5Å | ||
| 553 | L | 86.8 | Confident | 79.5 | Confident | 70 Ų | 70 | 69.8 Ų | 69.8 | 37% | 0.366 | 39% | 0.389 | S | S | . | . | B | Isolated β-bridge | trans | -63.7 | 139.2 | 176.9 | -68.6 | 172.2 | 0 | 0 | 0 | 111 | R546 | R546-L553 HydrophobicContact CB-CD2 4.42Å |
| 554 | L | 83.9 | Confident | 79.3 | Confident | 4 Ų | 4 | 66.5 Ų | 66.5 | 2% | 0.021 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -104 | 8.8 | -179.2 | -61.7 | 174.1 | 0 | 0 | 0 | 112.7 | Y545 C547 C562 I569 C571 | Y545-L554 HydrophobicContact CD1-CB 3.65Å; Y545-L554 HydrophobicContact CE1-CB 3.54Å; Y545-L554 VanDerWaalsContact CE1-O 3.32Å; Y545-L554 WeakPolarHBondContact CE1-O 3.46Å; Y545-L554 HydrophobicContact CG-CB 4.38Å; Y545-L554 PolarHBondContact O-N 2.91Å; C547-L554 HydrophobicContact CB-CD2 4.28Å; L554-C562 HydrophobicContact CD1-CB 4.15Å; L554-I569 HydrophobicContact CD1-CG2 3.5Å; L554-I569 VanDerWaalsContact CD1-CG2 3.5Å; L554-C571 HydrophobicContact CD2-CB 3.59Å |
| 555 | S | 77.1 | Confident | 79.2 | Confident | 53 Ų | 53 | 67.1 Ų | 67.1 | 37% | 0.371 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -97 | -18.6 | -174.8 | -166.3 | 0 | 0 | 0 | 0 | 114.4 | I533 | I533-S555 WeakPolarHBondContact CD1-OG 3.26Š|
| 556 | E | 68 | Low | 78.9 | Confident | 152 Ų | 152 | 72.2 Ų | 72.2 | 71% | 0.71 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -139.8 | 134 | -174.5 | -67.9 | -178.7 | 121.5 | 0 | 0 | 110.5 | ||
| 557 | G | 57.4 | Low | 78.6 | Confident | 47 Ų | 47 | 68.5 Ų | 68.5 | 49% | 0.485 | 41% | 0.408 | S | S | . | . | S | Bend | trans | 120 | 126.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | N559 Q560 | G557-N559 PolarHBondContact O-N 3.33Å; G557-Q560 PolarHBondContact O-N 3.29Å; G557-Q560 VanDerWaalsContact O-N 3.11Å |
| 558 | D | 55 | Low | 78.4 | Confident | 167 Ų | 167 | 71.8 Ų | 71.8 | 89% | 0.893 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -7.5 | -163 | -46.5 | -52.7 | 0 | 0 | 0 | 116.8 | ||
| 559 | N | 52.4 | Low | 78.4 | Confident | 114 Ų | 114 | 67.3 Ų | 67.3 | 61% | 0.61 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -135.4 | 11.5 | -174.7 | -85.9 | -89.3 | 0 | 0 | 0 | 113.9 | G557 | G557-N559 PolarHBondContact O-N 3.33Š|
| 560 | Q | 64.8 | Low | 78.4 | Confident | 93 Ų | 93 | 63.6 Ų | 63.6 | 44% | 0.435 | 38% | 0.383 | S | S | . | . | trans | -118.4 | 41.1 | -170.6 | -64.4 | -169.4 | 86.7 | 0 | 0 | 114.4 | G557 | G557-Q560 PolarHBondContact O-N 3.29Å; G557-Q560 VanDerWaalsContact O-N 3.11Å | ||
| 561 | G | 70.3 | Confident | 78.4 | Confident | 30 Ų | 30 | 60.3 Ų | 60.3 | 31% | 0.309 | 36% | 0.36 | S | S | . | . | trans | -58.4 | 155.6 | 167.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y563 | G561-Y563 VanDerWaalsContact O-CD2 3.23Å; G561-Y563 WeakPolarHBondContact O-CD2 3.07Å; G561-Y563 VanDerWaalsContact O-CE2 3.31Å; G561-Y563 WeakPolarHBondContact O-CE2 3.32Å | ||
| 562 | C | 82.3 | Confident | 78.5 | Confident | 32 Ų | 32 | 62.9 Ų | 62.9 | 22% | 0.216 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 145.1 | 175.6 | 68.4 | 0 | 0 | 0 | 0 | 111.7 | Y545 L554 I569 | Y545-C562 VanDerWaalsContact OH-CB 3.26Å; Y545-C562 WeakPolarHBondContact OH-CB 3.46Å; Y545-C562 PolarHBondContact OH-SG 3.41Å; L554-C562 HydrophobicContact CD1-CB 4.15Å; C562-I569 HydrophobicContact CB-CG2 3.97Å |
| 563 | Y | 86.9 | Confident | 78.6 | Confident | 83 Ų | 83 | 66.5 Ų | 66.5 | 33% | 0.325 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 106.2 | 169.5 | -68.2 | -94.2 | 0 | 0 | 0 | 107.9 | G561 L570 K572 N575 | G561-Y563 VanDerWaalsContact O-CD2 3.23Å; G561-Y563 WeakPolarHBondContact O-CD2 3.07Å; G561-Y563 VanDerWaalsContact O-CE2 3.31Å; G561-Y563 WeakPolarHBondContact O-CE2 3.32Å; Y563-L570 PolarHBondContact N-O 2.87Å; Y563-L570 PolarHBondContact O-N 3.19Å; Y563-L570 VanDerWaalsContact O-N 3.16Å; Y563-K572 HydrophobicContact CD2-CB 4.07Å; Y563-K572 HydrophobicContact CE2-CB 3.58Å; Y563-K572 HydrophobicContact CE2-CD 4.47Å; Y563-K572 HydrophobicContact CE2-CG 3.87Å; Y563-N575 VanDerWaalsContact CB-ND2 3.33Å; Y563-N575 WeakPolarHBondContact CB-ND2 3.34Å; Y563-N575 HydrophobicContact CG-CB 4.26Å |
| 564 | P | 85.5 | Confident | 78.8 | Confident | 77 Ų | 77 | 64 Ų | 64 | 50% | 0.5 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 132.7 | 174 | 28.2 | -32.1 | 0 | 0 | 0 | 110.5 | L536 H568 | L536-P564 HydrophobicContact CD1-CB 3.87Å; L536-P564 HydrophobicContact CD2-CB 3.66Å; L536-P564 HydrophobicContact CD2-CG 4.41Å; L536-P564 HydrophobicContact CG-CB 3.91Å; P564-H568 WeakPolarHBondContact CA-O 3.37Å |
| 565 | L | 87.7 | Confident | 79.1 | Confident | 30 Ų | 30 | 64.8 Ų | 64.8 | 16% | 0.157 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 122.7 | 174 | -179.4 | 60.5 | 0 | 0 | 0 | 109.1 | G567 H568 L570 N575 R578 I579 L582 | L565-G567 PolarHBondContact O-N 3.01Å; L565-H568 PolarHBondContact N-O 3.3Å; L565-H568 WeakPolarHBondContact O-CB 3.29Å; L565-H568 PolarHBondContact O-N 3.43Å; L565-L570 HydrophobicContact CB-CD1 4.27Å; L565-L570 HydrophobicContact CD2-CD1 4.41Å; L565-N575 WeakPolarHBondContact CD2-OD1 3.41Å; L565-R578 HydrophobicContact CD2-CB 3.98Å; L565-R578 HydrophobicContact CD2-CG 3.75Å; L565-I579 HydrophobicContact CD2-CG1 3.86Å; L565-L582 HydrophobicContact CD2-CD1 4.24Å |
| 566 | D | 83.3 | Confident | 79.8 | Confident | 123 Ų | 123 | 64.5 Ų | 64.5 | 66% | 0.658 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | 30.7 | 178.7 | -51.4 | -36.5 | 0 | 0 | 0 | 114.8 | ||
| 567 | G | 82.8 | Confident | 80.8 | Confident | 35 Ų | 35 | 59.7 Ų | 59.7 | 36% | 0.361 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.8 | -0.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | R538 L565 | R538-G567 PolarHBondContact NH1-O 2.94Å; L565-G567 PolarHBondContact O-N 3.01Å |
| 568 | H | 85.2 | Confident | 82.4 | Confident | 70 Ų | 70 | 60.5 Ų | 60.5 | 32% | 0.324 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 151.2 | 171.7 | -61.9 | -85 | 0 | 0 | 0 | 111.9 | E548 P564 L565 L570 R578 | E548-H568 VanDerWaalsContact OE1-CA 3.24Å; E548-H568 WeakPolarHBondContact OE1-CA 3.37Å; E548-H568 IonicContact OE1-ND1 3.46Å; E548-H568 IonicContact OE2-CE1 3.03Å; E548-H568 IonicContact OE2-CG 3.68Å; E548-H568 IonicContact OE2-ND1 3.28Å; E548-H568 PolarHBondContact OE2-ND1 3.31Å; P564-H568 WeakPolarHBondContact CA-O 3.37Å; L565-H568 PolarHBondContact N-O 3.3Å; L565-H568 WeakPolarHBondContact O-CB 3.29Å; L565-H568 PolarHBondContact O-N 3.43Å; H568-L570 HydrophobicContact CB-CG 4.48Å; H568-R578 PolarHBondContact CD2-NH1 2.94Å |
| 569 | I | 87.4 | Confident | 84.1 | Confident | 8 Ų | 8 | 56 Ų | 56 | 4% | 0.041 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 112.7 | 177.2 | -52.8 | -176.7 | 0 | 0 | 0 | 109.7 | A535 L536 F540 Y545 E548 L554 C562 | A535-I569 HydrophobicContact CB-CD1 4.25Å; L536-I569 HydrophobicContact CD1-CG1 3.94Å; F540-I569 HydrophobicContact CE1-CD1 4.04Å; F540-I569 HydrophobicContact CE2-CD1 3.72Å; F540-I569 HydrophobicContact CZ-CD1 3.34Å; Y545-I569 HydrophobicContact CE2-CG2 4.28Å; E548-I569 PolarHBondContact N-O 3.23Å; E548-I569 VanDerWaalsContact N-O 3.08Å; E548-I569 PolarHBondContact OE1-N 3.05Å; L554-I569 HydrophobicContact CD1-CG2 3.5Å; L554-I569 VanDerWaalsContact CD1-CG2 3.5Å; C562-I569 HydrophobicContact CB-CG2 3.97Å |
| 570 | L | 87.9 | Confident | 85.9 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 152.9 | -174 | -58.7 | 176.9 | 0 | 0 | 0 | 112.1 | E548 D549 Y563 L565 H568 C574 N575 R578 | E548-L570 HydrophobicContact CB-CD2 4.39Å; D549-L570 HydrophobicContact CB-CD2 4.1Å; Y563-L570 PolarHBondContact N-O 2.87Å; Y563-L570 PolarHBondContact O-N 3.19Å; Y563-L570 VanDerWaalsContact O-N 3.16Å; L565-L570 HydrophobicContact CB-CD1 4.27Å; L565-L570 HydrophobicContact CD2-CD1 4.41Å; H568-L570 HydrophobicContact CB-CG 4.48Å; L570-C574 HydrophobicContact CB-CB 4.32Å; L570-C574 HydrophobicContact CD2-CB 4.32Å; L570-N575 HydrophobicContact CB-CB 4.03Å; L570-N575 HydrophobicContact CD1-CB 4.37Å; L570-R578 HydrophobicContact CD1-CB 4.29Å |
| 571 | C | 90.1 | Very high | 86.9 | Confident | 6 Ų | 6 | 58.7 Ų | 58.7 | 4% | 0.041 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 163.5 | 164.3 | 77.6 | 0 | 0 | 0 | 0 | 110.6 | C547 L554 T573 C574 N575 | C547-C571 HydrophobicContact CB-CB 4.08Å; C547-C571 PolarHBondContact SG-N 3.33Å; L554-C571 HydrophobicContact CD2-CB 3.59Å; C571-T573 PolarHBondContact O-N 3.02Å; C571-T573 VanDerWaalsContact O-N 3.15Å; C571-C574 PolarHBondContact O-N 3.34Å; C571-C574 PolarHBondContact SG-N 3.32Å; C571-N575 WeakPolarHBondContact O-CB 3.38Å; C571-N575 PolarHBondContact O-N 3.48Å |
| 572 | K | 87.8 | Confident | 87.7 | Confident | 98 Ų | 98 | 61.1 Ų | 61.1 | 43% | 0.426 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -45.4 | -46.5 | 177.5 | -167.7 | 173.8 | 179.4 | 177.4 | 0 | 113.3 | Y563 S576 | Y563-K572 HydrophobicContact CD2-CB 4.07Å; Y563-K572 HydrophobicContact CE2-CB 3.58Å; Y563-K572 HydrophobicContact CE2-CD 4.47Å; Y563-K572 HydrophobicContact CE2-CG 3.87Å; K572-S576 WeakPolarHBondContact O-CB 3.33Å; K572-S576 PolarHBondContact O-N 3.15Å; K572-S576 PolarHBondContact O-OG 3.33Å |
| 573 | T | 89.1 | Confident | 87.8 | Confident | 104 Ų | 104 | 63.5 Ų | 63.5 | 64% | 0.638 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -67 | -53.6 | -178.6 | -48 | 0 | 0 | 0 | 0 | 111.8 | C571 N575 S576 A577 | C571-T573 PolarHBondContact O-N 3.02Å; C571-T573 VanDerWaalsContact O-N 3.15Å; T573-N575 PolarHBondContact O-N 3.48Å; T573-S576 PolarHBondContact O-N 3.24Å; T573-S576 PolarHBondContact O-OG 3.02Å; T573-A577 PolarHBondContact O-N 3.46Å |
| 574 | C | 90.7 | Very high | 87.7 | Confident | 19 Ų | 19 | 62.2 Ų | 62.2 | 13% | 0.128 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63.5 | -40.1 | -179.3 | -65.2 | 0 | 0 | 0 | 0 | 112.2 | C547 D549 L570 C571 A577 R578 | C547-C574 VanDerWaalsContact SG-SG 3.67Å; D549-C574 HydrophobicContact CB-CB 3.79Å; L570-C574 HydrophobicContact CB-CB 4.32Å; L570-C574 HydrophobicContact CD2-CB 4.32Å; C571-C574 PolarHBondContact O-N 3.34Å; C571-C574 PolarHBondContact SG-N 3.32Å; C574-A577 PolarHBondContact O-N 3.11Å; C574-R578 PolarHBondContact O-N 3.22Å |
| 575 | N | 90.1 | Very high | 87.3 | Confident | 19 Ų | 19 | 65.3 Ų | 65.3 | 10% | 0.102 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -57.9 | -49.9 | 171.8 | -179.2 | 42.9 | 0 | 0 | 0 | 111.4 | Y563 L565 L570 C571 T573 A577 R578 I579 | Y563-N575 VanDerWaalsContact CB-ND2 3.33Å; Y563-N575 WeakPolarHBondContact CB-ND2 3.34Å; Y563-N575 HydrophobicContact CG-CB 4.26Å; L565-N575 WeakPolarHBondContact CD2-OD1 3.41Å; L570-N575 HydrophobicContact CB-CB 4.03Å; L570-N575 HydrophobicContact CD1-CB 4.37Å; C571-N575 WeakPolarHBondContact O-CB 3.38Å; C571-N575 PolarHBondContact O-N 3.48Å; T573-N575 PolarHBondContact O-N 3.48Å; N575-A577 PolarHBondContact O-N 2.93Å; N575-R578 PolarHBondContact O-N 3.25Å; N575-I579 WeakPolarHBondContact O-CG1 3.35Å; N575-I579 PolarHBondContact O-N 3.07Å; N575-I579 WeakPolarHBondContact OD1-CD1 3.23Å |
| 576 | S | 90.3 | Very high | 86.7 | Confident | 48 Ų | 48 | 66.9 Ų | 66.9 | 34% | 0.336 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61.9 | -32 | 179 | 77.7 | 0 | 0 | 0 | 0 | 113.2 | K572 T573 R580 | K572-S576 WeakPolarHBondContact O-CB 3.33Å; K572-S576 PolarHBondContact O-N 3.15Å; K572-S576 PolarHBondContact O-OG 3.33Å; T573-S576 PolarHBondContact O-N 3.24Å; T573-S576 PolarHBondContact O-OG 3.02Å; S576-R580 WeakPolarHBondContact O-CB 3.31Å; S576-R580 WeakPolarHBondContact O-CD 3.44Å; S576-R580 WeakPolarHBondContact O-CG 3.21Å; S576-R580 PolarHBondContact O-N 2.95Å |
| 577 | A | 90.1 | Very high | 86.2 | Confident | 50 Ų | 50 | 65 Ų | 65 | 41% | 0.413 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -72 | -46.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | T573 C574 N575 R580 V581 | T573-A577 PolarHBondContact O-N 3.46Å; C574-A577 PolarHBondContact O-N 3.11Å; N575-A577 PolarHBondContact O-N 2.93Å; A577-R580 PolarHBondContact O-N 2.88Å; A577-V581 WeakPolarHBondContact O-CG2 3.39Å; A577-V581 PolarHBondContact O-N 2.88Å |
| 578 | R | 90.3 | Very high | 85.5 | Confident | 64 Ų | 64 | 68.8 Ų | 68.8 | 24% | 0.242 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -62.3 | -44.8 | 178.4 | -172.8 | 167.9 | -64.9 | -171.1 | -2.1 | 111.7 | D549 L565 H568 L570 C574 N575 R580 V581 L582 | D549-R578 IonicContact OD1-CZ 3.65Å; D549-R578 IonicContact OD1-NH2 3.66Å; D549-R578 PolarHBondContact OD1-NH2 2.87Å; D549-R578 IonicContact OD2-CZ 3.52Å; D549-R578 IonicContact OD2-NE 3.61Å; D549-R578 IonicContact OD2-NH2 2.63Å; D549-R578 PolarHBondContact OD2-NH2 2.87Å; L565-R578 HydrophobicContact CD2-CB 3.98Å; L565-R578 HydrophobicContact CD2-CG 3.75Å; H568-R578 PolarHBondContact CD2-NH1 2.94Å; L570-R578 HydrophobicContact CD1-CB 4.29Å; C574-R578 PolarHBondContact O-N 3.22Å; N575-R578 PolarHBondContact O-N 3.25Å; R578-R580 PolarHBondContact O-N 3.27Å; R578-V581 PolarHBondContact O-N 3.09Å; R578-L582 HydrophobicContact CG-CD1 4.02Å; R578-L582 HydrophobicContact CG-CG 4.45Å; R578-L582 VanDerWaalsContact O-CG 3.32Å; R578-L582 WeakPolarHBondContact O-CG 3.2Å; R578-L582 PolarHBondContact O-N 2.91Å |
| 579 | I | 90.6 | Very high | 84.1 | Confident | 72 Ų | 72 | 72.9 Ų | 72.9 | 37% | 0.369 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -57.2 | -49.3 | 174 | -67.2 | 170.7 | 0 | 0 | 0 | 110.7 | L565 N575 V581 L582 T583 | L565-I579 HydrophobicContact CD2-CG1 3.86Å; N575-I579 WeakPolarHBondContact O-CG1 3.35Å; N575-I579 PolarHBondContact O-N 3.07Å; N575-I579 WeakPolarHBondContact OD1-CD1 3.23Å; I579-V581 VanDerWaalsContact C-N 3.31Å; I579-V581 PolarHBondContact O-N 3.21Å; I579-L582 PolarHBondContact O-N 3.18Å; I579-L582 VanDerWaalsContact O-N 3.15Å; I579-T583 PolarHBondContact O-N 3.26Å; I579-T583 PolarHBondContact O-OG1 2.89Å; I579-T583 VanDerWaalsContact O-OG1 3.09Å |
| 580 | R | 89.9 | Confident | 82.4 | Confident | 186 Ų | 186 | 82.6 Ų | 82.6 | 70% | 0.702 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -57.8 | -41.4 | 178.2 | -76.1 | 169.2 | -178.4 | -175.3 | 1 | 112.7 | S576 A577 R578 A584 | S576-R580 WeakPolarHBondContact O-CB 3.31Å; S576-R580 WeakPolarHBondContact O-CD 3.44Å; S576-R580 WeakPolarHBondContact O-CG 3.21Å; S576-R580 PolarHBondContact O-N 2.95Å; A577-R580 PolarHBondContact O-N 2.88Å; R578-R580 PolarHBondContact O-N 3.27Å; R580-A584 WeakPolarHBondContact O-CB 3.48Å; R580-A584 PolarHBondContact O-N 3.45Å |
| 581 | V | 87.4 | Confident | 82.1 | Confident | 79 Ų | 79 | 86.7 Ų | 86.7 | 48% | 0.479 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -67.8 | -39.3 | 177.2 | 172.2 | 0 | 0 | 0 | 0 | 111.8 | A577 R578 I579 K585 | A577-V581 WeakPolarHBondContact O-CG2 3.39Å; A577-V581 PolarHBondContact O-N 2.88Å; R578-V581 PolarHBondContact O-N 3.09Å; I579-V581 VanDerWaalsContact C-N 3.31Å; I579-V581 PolarHBondContact O-N 3.21Å; V581-K585 HydrophobicContact CG1-CD 4.41Å; V581-K585 WeakPolarHBondContact O-CG 3.4Å; V581-K585 PolarHBondContact O-N 3.35Å; V581-K585 VanDerWaalsContact O-N 3.11Å |
| 582 | L | 85.6 | Confident | 81.7 | Confident | 80 Ų | 80 | 90.9 Ų | 90.9 | 42% | 0.419 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.5 | -48.1 | 176.3 | -70.3 | 168.1 | 0 | 0 | 0 | 111.5 | L565 R578 I579 A584 K585 A586 | L565-L582 HydrophobicContact CD2-CD1 4.24Å; R578-L582 HydrophobicContact CG-CD1 4.02Å; R578-L582 HydrophobicContact CG-CG 4.45Å; R578-L582 VanDerWaalsContact O-CG 3.32Å; R578-L582 WeakPolarHBondContact O-CG 3.2Å; R578-L582 PolarHBondContact O-N 2.91Å; I579-L582 PolarHBondContact O-N 3.18Å; I579-L582 VanDerWaalsContact O-N 3.15Å; L582-A584 PolarHBondContact O-N 3.04Å; L582-K585 PolarHBondContact O-N 3.43Å; L582-A586 PolarHBondContact O-N 3.45Å |
| 583 | T | 85.7 | Confident | 81.3 | Confident | 83 Ų | 83 | 90.6 Ų | 90.6 | 51% | 0.509 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.2 | -40.9 | 177.2 | -52.3 | 0 | 0 | 0 | 0 | 112.2 | I579 K585 A586 S587 | I579-T583 PolarHBondContact O-N 3.26Å; I579-T583 PolarHBondContact O-OG1 2.89Å; I579-T583 VanDerWaalsContact O-OG1 3.09Å; T583-K585 PolarHBondContact O-N 3.27Å; T583-A586 PolarHBondContact O-N 2.98Å; T583-S587 PolarHBondContact O-N 2.74Å; T583-S587 PolarHBondContact O-OG 3.47Å |
| 584 | A | 84.4 | Confident | 80.9 | Confident | 56 Ų | 56 | 89.8 Ų | 89.8 | 46% | 0.463 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.3 | -40.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | R580 L582 S587 T588 | R580-A584 WeakPolarHBondContact O-CB 3.48Å; R580-A584 PolarHBondContact O-N 3.45Å; L582-A584 PolarHBondContact O-N 3.04Å; A584-S587 PolarHBondContact O-N 3.15Å; A584-T588 PolarHBondContact O-OG1 2.82Å |
| 585 | K | 76.9 | Confident | 80.3 | Confident | 141 Ų | 141 | 94.2 Ų | 94.2 | 61% | 0.613 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -65.4 | -44.5 | 174.6 | -74 | 177 | 177.2 | -172.6 | 0 | 112.2 | V581 L582 T583 S587 T588 | V581-K585 HydrophobicContact CG1-CD 4.41Å; V581-K585 WeakPolarHBondContact O-CG 3.4Å; V581-K585 PolarHBondContact O-N 3.35Å; V581-K585 VanDerWaalsContact O-N 3.11Å; L582-K585 PolarHBondContact O-N 3.43Å; T583-K585 PolarHBondContact O-N 3.27Å; K585-S587 PolarHBondContact O-N 3.22Å; K585-T588 PolarHBondContact O-N 3.11Å; K585-T588 PolarHBondContact O-OG1 3.42Å |
| 586 | A | 74.6 | Confident | 79.6 | Confident | 64 Ų | 64 | 99.2 Ų | 99.2 | 53% | 0.529 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -63.3 | -21 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | L582 T583 | L582-A586 PolarHBondContact O-N 3.45Å; T583-A586 PolarHBondContact O-N 2.98Å |
| 587 | S | 73.4 | Confident | 78.9 | Confident | 82 Ų | 82 | 102.9 Ų | 102.9 | 57% | 0.573 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.2 | 2.9 | 175.9 | -51.6 | 0 | 0 | 0 | 0 | 114 | T583 A584 K585 | T583-S587 PolarHBondContact O-N 2.74Å; T583-S587 PolarHBondContact O-OG 3.47Å; A584-S587 PolarHBondContact O-N 3.15Å; K585-S587 PolarHBondContact O-N 3.22Å |
| 588 | T | 67 | Low | 78 | Confident | 115 Ų | 115 | 106.9 Ų | 106.9 | 71% | 0.706 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -121.9 | 6.1 | 179.2 | 49.5 | 0 | 0 | 0 | 0 | 114 | A584 K585 | A584-T588 PolarHBondContact O-OG1 2.82Å; K585-T588 PolarHBondContact O-N 3.11Å; K585-T588 PolarHBondContact O-OG1 3.42Å |
| 589 | D | 57.4 | Low | 77 | Confident | 156 Ų | 156 | 110.5 Ų | 110.5 | 83% | 0.834 | 61% | 0.609 | S | S | * | * | trans | -112.1 | 29.3 | 175.9 | -126.9 | -32 | 0 | 0 | 0 | 110.4 | ||||
| 590 | L | 50.6 | Low | 75.7 | Confident | 212 Ų | 212 | 114 Ų | 114 | 100% | 1.11 | 63% | 0.631 | S | S | * | * | trans | -144.2 | 0 | -170.9 | -105.6 | 165.7 | 0 | 0 | 0 | 110.6 |
Retrieved 590 of 590 residues in 470.3 ms
(Link to these results)