| 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 | 41.4 | Very low | 49.7 | Very low | 244 Ų | 244 | 141.6 Ų | 141.6 | 100% | 1.202 | 85% | 0.846 | S | S | * | * | 0 | 107.2 | 0 | -63.1 | -179.1 | 86.9 | 0 | 0 | 106.3 | |||||
| 2 | S | 46.9 | Very low | 49.8 | Very low | 127 Ų | 127 | 139.1 Ų | 139.1 | 89% | 0.888 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -89 | 125.4 | -177.9 | -52.8 | 0 | 0 | 0 | 0 | 108.8 | ||
| 3 | S | 48 | Very low | 50.2 | Low | 114 Ų | 114 | 137.5 Ų | 137.5 | 80% | 0.797 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 142.4 | 173.4 | -54.6 | 0 | 0 | 0 | 0 | 110.1 | ||
| 4 | P | 53 | Low | 50 | Low | 123 Ų | 123 | 133.1 Ų | 133.1 | 80% | 0.799 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 140.6 | -179.2 | 31 | -32.8 | 0 | 0 | 0 | 111.4 | ||
| 5 | S | 47.7 | Very low | 50.2 | Low | 118 Ų | 118 | 133 Ų | 133 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -68 | 124.9 | 170 | 46.5 | 0 | 0 | 0 | 0 | 110.8 | ||
| 6 | L | 51 | Low | 49.9 | Very low | 163 Ų | 163 | 134.4 Ų | 134.4 | 85% | 0.853 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -68 | 145.4 | 173.8 | -68.8 | 166.8 | 0 | 0 | 0 | 111.4 | ||
| 7 | P | 55.7 | Low | 50.1 | Low | 120 Ų | 120 | 130.7 Ų | 130.7 | 78% | 0.779 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 127.4 | 177.8 | 30.6 | -29.7 | 0 | 0 | 0 | 110.8 | ||
| 8 | M | 53.7 | Low | 50.1 | Low | 176 Ų | 176 | 131.8 Ų | 131.8 | 87% | 0.867 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 133.9 | 169.9 | -76.6 | -75.8 | -72.8 | 0 | 0 | 110.1 | S10 | M8-S10 PolarHBondContact O-N 3.21Š|
| 9 | P | 46 | Very low | 50.5 | Low | 118 Ų | 118 | 134.9 Ų | 134.9 | 77% | 0.766 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 124.1 | 170 | 27.2 | -30.6 | 0 | 0 | 0 | 109.8 | ||
| 10 | S | 54.5 | Low | 50.7 | Low | 113 Ų | 113 | 137.8 Ų | 137.8 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 131 | 174 | 53.3 | 0 | 0 | 0 | 0 | 110.6 | M8 | M8-S10 PolarHBondContact O-N 3.21Š|
| 11 | L | 49.3 | Very low | 50.9 | Low | 142 Ų | 142 | 139 Ų | 139 | 74% | 0.743 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 145.9 | 169.3 | -74.4 | 157.7 | 0 | 0 | 0 | 111.1 | ||
| 12 | P | 50.3 | Low | 51.4 | Low | 111 Ų | 111 | 135 Ų | 135 | 72% | 0.721 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 137.1 | 174.6 | 25.8 | -32.5 | 0 | 0 | 0 | 109.9 | S14 | P12-S14 PolarHBondContact O-N 3.47Š|
| 13 | P | 55.4 | Low | 51.8 | Low | 119 Ų | 119 | 136.7 Ų | 136.7 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 124.8 | 180 | 25.7 | -31.9 | 0 | 0 | 0 | 109.4 | ||
| 14 | S | 47.2 | Very low | 51.8 | Low | 76 Ų | 76 | 139.5 Ų | 139.5 | 53% | 0.531 | 78% | 0.782 | S | S | . | * | P | Polyproline II helix | trans | -50.9 | 132.8 | 170.1 | 172.5 | 0 | 0 | 0 | 0 | 109.7 | P12 L16 A17 | P12-S14 PolarHBondContact O-N 3.47Å; S14-L16 PolarHBondContact O-N 3.38Å; S14-A17 PolarHBondContact O-N 3.44Å |
| 15 | P | 53.3 | Low | 52 | Low | 131 Ų | 131 | 140.2 Ų | 140.2 | 85% | 0.851 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.6 | 6.5 | -177.8 | 27.9 | -34.3 | 0 | 0 | 0 | 114.1 | ||
| 16 | L | 45.6 | Very low | 52.6 | Low | 156 Ų | 156 | 139.7 Ų | 139.7 | 82% | 0.817 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.3 | 7.9 | 174.2 | -89 | 128.9 | 0 | 0 | 0 | 113.8 | S14 M18 | S14-L16 PolarHBondContact O-N 3.38Å; L16-M18 VanDerWaalsContact C-N 3.33Å; L16-M18 PolarHBondContact O-N 3.27Å |
| 17 | A | 53.6 | Low | 52.9 | Low | 71 Ų | 71 | 139.7 Ų | 139.7 | 59% | 0.587 | 77% | 0.767 | S | S | * | * | trans | -71.5 | 91.7 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | S14 E19 | S14-A17 PolarHBondContact O-N 3.44Å; A17-E19 PolarHBondContact O-N 3.2Å | ||
| 18 | M | 49.6 | Very low | 52.8 | Low | 150 Ų | 150 | 141.9 Ų | 141.9 | 74% | 0.739 | 76% | 0.764 | S | S | * | * | trans | -56 | 104.6 | 159.6 | -89.2 | -111.5 | -66.3 | 0 | 0 | 108 | L16 Y20 | L16-M18 VanDerWaalsContact C-N 3.33Å; L16-M18 PolarHBondContact O-N 3.27Å; M18-Y20 HydrophobicContact CB-CD2 4.16Å; M18-Y20 HydrophobicContact CE-CD2 3.57Å; M18-Y20 HydrophobicContact CE-CE2 3.73Å; M18-Y20 PolarHBondContact O-N 2.97Å; M18-Y20 HydrophobicContact SD-CD2 3.8Å; M18-Y20 HydrophobicContact SD-CE2 3.73Å | ||
| 19 | E | 57 | Low | 52.5 | Low | 192 Ų | 192 | 142 Ų | 142 | 90% | 0.897 | 76% | 0.76 | S | S | * | * | trans | -56.9 | 88.3 | 165.5 | -80.5 | -177.6 | 149 | 0 | 0 | 109.2 | A17 | A17-E19 PolarHBondContact O-N 3.2Š| ||
| 20 | Y | 54.4 | Low | 52.5 | Low | 191 Ų | 191 | 144.9 Ų | 144.9 | 75% | 0.749 | 76% | 0.763 | S | S | * | * | trans | -138.9 | 37 | 173.4 | -90.8 | -76.8 | 0 | 0 | 0 | 111.3 | M18 | M18-Y20 HydrophobicContact CB-CD2 4.16Å; M18-Y20 HydrophobicContact CE-CD2 3.57Å; M18-Y20 HydrophobicContact CE-CE2 3.73Å; M18-Y20 PolarHBondContact O-N 2.97Å; M18-Y20 HydrophobicContact SD-CD2 3.8Å; M18-Y20 HydrophobicContact SD-CE2 3.73Å | ||
| 21 | L | 56.3 | Low | 52.1 | Low | 165 Ų | 165 | 145.7 Ų | 145.7 | 86% | 0.864 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -151.8 | 84.9 | 171.5 | -96.9 | 135 | 0 | 0 | 0 | 107.9 | ||
| 22 | N | 51.6 | Low | 52 | Low | 160 Ų | 160 | 148.4 Ų | 148.4 | 86% | 0.856 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -162.8 | -4.8 | 150.1 | -98.3 | -21.7 | 0 | 0 | 0 | 116.3 | ||
| 23 | D | 53.8 | Low | 51.6 | Low | 161 Ų | 161 | 147.7 Ų | 147.7 | 86% | 0.861 | 77% | 0.767 | S | S | * | * | trans | -114.2 | 40.9 | 177.4 | -75.2 | -10.3 | 0 | 0 | 0 | 114.2 | ||||
| 24 | F | 47.9 | Very low | 50.8 | Low | 173 Ų | 173 | 149.4 Ų | 149.4 | 76% | 0.759 | 77% | 0.769 | S | S | * | * | trans | -106.5 | 72.3 | 163.5 | -133.8 | -109.6 | 0 | 0 | 0 | 109 | L26 | F24-L26 HydrophobicContact CD1-CB 4.48Å; F24-L26 HydrophobicContact CD1-CD1 3.37Å; F24-L26 HydrophobicContact CD1-CD2 4.04Å; F24-L26 HydrophobicContact CD1-CG 3.31Å; F24-L26 HydrophobicContact CE1-CD1 3.6Å; F24-L26 HydrophobicContact CE1-CD2 3.7Å; F24-L26 HydrophobicContact CE1-CG 3.52Å; F24-L26 HydrophobicContact CG-CG 4.41Å; F24-L26 PolarHBondContact O-N 3.3Å | ||
| 25 | D | 58.8 | Low | 50.9 | Low | 138 Ų | 138 | 151.1 Ų | 151.1 | 74% | 0.738 | 78% | 0.777 | S | S | * | * | trans | -67.9 | 79.4 | 171.9 | -158.8 | 11.1 | 0 | 0 | 0 | 108.9 | L27 | D25-L27 PolarHBondContact O-N 3.42Š| ||
| 26 | L | 58.8 | Low | 50.6 | Low | 107 Ų | 107 | 149.8 Ų | 149.8 | 56% | 0.56 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | 11.1 | -178.6 | -95.1 | 176.4 | 0 | 0 | 0 | 114.1 | F24 | F24-L26 HydrophobicContact CD1-CB 4.48Å; F24-L26 HydrophobicContact CD1-CD1 3.37Å; F24-L26 HydrophobicContact CD1-CD2 4.04Å; F24-L26 HydrophobicContact CD1-CG 3.31Å; F24-L26 HydrophobicContact CE1-CD1 3.6Å; F24-L26 HydrophobicContact CE1-CD2 3.7Å; F24-L26 HydrophobicContact CE1-CG 3.52Å; F24-L26 HydrophobicContact CG-CG 4.41Å; F24-L26 PolarHBondContact O-N 3.3Å |
| 27 | L | 57.6 | Low | 50.6 | Low | 164 Ų | 164 | 148.4 Ų | 148.4 | 86% | 0.859 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.1 | 38.1 | -176.4 | -108.6 | 84.5 | 0 | 0 | 0 | 114.7 | D25 | D25-L27 PolarHBondContact O-N 3.42Š|
| 28 | K | 54.8 | Low | 50.1 | Low | 165 Ų | 165 | 153 Ų | 153 | 72% | 0.717 | 78% | 0.782 | S | S | * | * | trans | -131.4 | 62.1 | 158.6 | -156.2 | 158.7 | 71.9 | -173.9 | 0 | 113.4 | ||||
| 29 | F | 46.1 | Very low | 50.2 | Low | 180 Ų | 180 | 151 Ų | 151 | 79% | 0.789 | 78% | 0.781 | S | S | * | * | trans | -97 | 92.2 | 147.1 | -71.4 | -80.4 | 0 | 0 | 0 | 107.3 | V31 | F29-V31 PolarHBondContact O-N 3.04Š| ||
| 30 | E | 46.1 | Very low | 49.7 | Very low | 178 Ų | 178 | 147.5 Ų | 147.5 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | trans | -62.7 | 107.2 | 156.2 | -87 | -179.5 | 146.5 | 0 | 0 | 106.9 | K32 | E30-K32 VanDerWaalsContact C-N 3.29Å; E30-K32 PolarHBondContact O-N 3.36Å | ||
| 31 | V | 47.2 | Very low | 49 | Very low | 129 Ų | 129 | 144.8 Ų | 144.8 | 78% | 0.782 | 78% | 0.78 | S | S | * | * | trans | -63.4 | 99.1 | 160.6 | 170.7 | 0 | 0 | 0 | 0 | 106 | F29 S33 | F29-V31 PolarHBondContact O-N 3.04Å; V31-S33 VanDerWaalsContact C-N 3.3Å; V31-S33 PolarHBondContact O-N 3.43Å | ||
| 32 | K | 45.6 | Very low | 47.8 | Very low | 200 Ų | 200 | 143 Ų | 143 | 87% | 0.87 | 78% | 0.78 | S | S | * | * | trans | -69.1 | 92.1 | 171.9 | -156.5 | 168.7 | 179.6 | 173 | 0 | 107.3 | E30 D34 | E30-K32 VanDerWaalsContact C-N 3.29Å; E30-K32 PolarHBondContact O-N 3.36Å; K32-D34 PolarHBondContact O-N 2.97Å; K32-D34 VanDerWaalsContact O-N 3.11Å | ||
| 33 | S | 43.7 | Very low | 47 | Very low | 96 Ų | 96 | 139.5 Ų | 139.5 | 67% | 0.671 | 77% | 0.768 | S | S | * | * | trans | -67.7 | 99.9 | 168.8 | 49.8 | 0 | 0 | 0 | 0 | 108.4 | V31 T35 | V31-S33 VanDerWaalsContact C-N 3.3Å; V31-S33 PolarHBondContact O-N 3.43Å; S33-T35 PolarHBondContact O-N 3.36Å; S33-T35 VanDerWaalsContact O-N 3.1Å | ||
| 34 | D | 38.8 | Very low | 46 | Very low | 155 Ų | 155 | 142.4 Ų | 142.4 | 83% | 0.829 | 77% | 0.769 | S | S | * | * | trans | -75 | 93.4 | 168.8 | -157.4 | 4.6 | 0 | 0 | 0 | 107.7 | K32 | K32-D34 PolarHBondContact O-N 2.97Å; K32-D34 VanDerWaalsContact O-N 3.11Å | ||
| 35 | T | 47.5 | Very low | 45.9 | Very low | 111 Ų | 111 | 139.5 Ų | 139.5 | 68% | 0.681 | 77% | 0.767 | S | S | * | * | trans | -122.9 | 113.6 | 168.7 | -61.2 | 0 | 0 | 0 | 0 | 106.2 | S33 | S33-T35 PolarHBondContact O-N 3.36Å; S33-T35 VanDerWaalsContact O-N 3.1Å | ||
| 36 | P | 46.8 | Very low | 44.5 | Very low | 103 Ų | 103 | 142.3 Ų | 142.3 | 67% | 0.669 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 139.9 | -176.9 | 24.4 | -30.9 | 0 | 0 | 0 | 110.7 | ||
| 37 | P | 45.7 | Very low | 43.3 | Very low | 128 Ų | 128 | 143 Ų | 143 | 83% | 0.831 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -76 | 129.7 | -177.8 | 28.9 | -31.3 | 0 | 0 | 0 | 111.3 | ||
| 38 | L | 42.9 | Very low | 42.1 | Very low | 166 Ų | 166 | 139 Ų | 139 | 87% | 0.869 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 141.5 | 167 | -71.2 | 161.7 | 0 | 0 | 0 | 110.4 | ||
| 39 | P | 52.2 | Low | 41.6 | Very low | 110 Ų | 110 | 139.5 Ų | 139.5 | 71% | 0.714 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 158.9 | 175.7 | 30.7 | -32.8 | 0 | 0 | 0 | 112.5 | ||
| 40 | P | 47.4 | Very low | 42.1 | Very low | 118 Ų | 118 | 135.8 Ų | 135.8 | 77% | 0.766 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 151 | -170.8 | 29.8 | -35 | 0 | 0 | 0 | 112.9 | C42 | P40-C42 PolarHBondContact O-N 3.46Š|
| 41 | P | 40 | Very low | 41.5 | Very low | 133 Ų | 133 | 135.8 Ų | 135.8 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | trans | -81.3 | 114.6 | -179.6 | 30.9 | -30.9 | 0 | 0 | 0 | 111.3 | ||||
| 42 | C | 30.8 | Very low | 40.8 | Very low | 127 Ų | 127 | 136.3 Ų | 136.3 | 86% | 0.858 | 79% | 0.787 | S | S | * | * | trans | -74.2 | 135.5 | 152.9 | -89.8 | 0 | 0 | 0 | 0 | 109.4 | P40 | P40-C42 PolarHBondContact O-N 3.46Š| ||
| 43 | S | 35 | Very low | 41.1 | Very low | 87 Ų | 87 | 131.7 Ų | 131.7 | 61% | 0.608 | 78% | 0.777 | S | S | * | * | trans | -52.1 | 151.2 | 171.8 | 34.7 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 44 | Y | 32.8 | Very low | 40.6 | Very low | 223 Ų | 223 | 131.7 Ų | 131.7 | 88% | 0.875 | 78% | 0.777 | S | S | * | * | trans | 139.3 | 154 | 147.9 | -68.9 | -58.4 | 0 | 0 | 0 | 113.6 | ||||
| 45 | P | 44.6 | Very low | 40.4 | Very low | 112 Ų | 112 | 129.5 Ų | 129.5 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | trans | -108.6 | 159 | -136.2 | 40.3 | -34.8 | 0 | 0 | 0 | 116.3 | ||||
| 46 | K | 30 | Very low | 40 | Very low | 196 Ų | 196 | 129.4 Ų | 129.4 | 85% | 0.852 | 78% | 0.778 | S | S | * | * | trans | 57.1 | 131.2 | 133.2 | -160.2 | 154.9 | -175.4 | 171.4 | 0 | 121.3 | ||||
| 47 | S | 34.3 | Very low | 40.2 | Very low | 122 Ų | 122 | 129.1 Ų | 129.1 | 85% | 0.853 | 78% | 0.776 | S | S | * | * | trans | 93.1 | 133.5 | 148.1 | 69.7 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 48 | G | 32 | Very low | 39.6 | Very low | 81 Ų | 81 | 133 Ų | 133 | 84% | 0.835 | 78% | 0.775 | S | S | * | * | trans | 139.9 | 97.6 | 156.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 49 | L | 44.7 | Very low | 39.2 | Very low | 174 Ų | 174 | 130.9 Ų | 130.9 | 91% | 0.911 | 77% | 0.77 | S | S | * | * | trans | -81.7 | -170.2 | 171.6 | -144.9 | 83.4 | 0 | 0 | 0 | 110 | ||||
| 50 | P | 55.6 | Low | 38.4 | Very low | 102 Ų | 102 | 131.4 Ų | 131.4 | 66% | 0.662 | 78% | 0.776 | S | S | * | * | -116.2 | 176.5 | -121.4 | 39.8 | -20.2 | 0 | 0 | 0 | 113.5 | |||||
| 51 | H | 34.6 | Very low | 37.9 | Very low | 179 Ų | 179 | 133.3 Ų | 133.3 | 83% | 0.829 | 78% | 0.78 | S | S | * | * | trans | -176.7 | 134.6 | 133.6 | -130 | -93.9 | 0 | 0 | 0 | 113.9 | ||||
| 52 | D | 32.6 | Very low | 38.5 | Very low | 139 Ų | 139 | 131.6 Ų | 131.6 | 74% | 0.743 | 77% | 0.769 | S | S | * | * | trans | -46.4 | 179.2 | 152.6 | -113.5 | -32.5 | 0 | 0 | 0 | 114 | ||||
| 53 | P | 51 | Low | 39.3 | Very low | 103 Ų | 103 | 131.6 Ų | 131.6 | 67% | 0.669 | 77% | 0.767 | S | S | * | * | cis | -146.1 | -172 | 2.7 | 27.6 | -0.8 | 0 | 0 | 0 | 115.8 | ||||
| 54 | S | 33.8 | Very low | 39.7 | Very low | 97 Ų | 97 | 135.7 Ų | 135.7 | 68% | 0.678 | 78% | 0.776 | S | S | * | * | 108.7 | 126 | 128.6 | -152.3 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 55 | S | 34.7 | Very low | 39.6 | Very low | 108 Ų | 108 | 132.2 Ų | 132.2 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | trans | 71 | 120.9 | 141.5 | 34.9 | 0 | 0 | 0 | 0 | 124 | ||||
| 56 | S | 37.9 | Very low | 39.2 | Very low | 109 Ų | 109 | 131.4 Ų | 131.4 | 76% | 0.762 | 77% | 0.77 | S | S | * | * | trans | -42.1 | 167.8 | 146.5 | -153.3 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 57 | P | 51.4 | Low | 39.4 | Very low | 97 Ų | 97 | 128.3 Ų | 128.3 | 63% | 0.63 | 77% | 0.773 | S | S | * | * | cis | -154 | -176.2 | 24.2 | 41.6 | -17.8 | 0 | 0 | 0 | 118.6 | ||||
| 58 | Y | 32.4 | Very low | 39.6 | Very low | 209 Ų | 209 | 130.4 Ų | 130.4 | 82% | 0.82 | 77% | 0.773 | S | S | * | * | trans | 60.4 | 120.8 | 157.7 | -77.5 | -78 | 0 | 0 | 0 | 121.2 | ||||
| 59 | T | 34.9 | Very low | 39.7 | Very low | 122 Ų | 122 | 132.2 Ų | 132.2 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | 156.4 | 149.9 | 107.4 | 48.1 | 0 | 0 | 0 | 0 | 113 | |||||
| 60 | S | 35.3 | Very low | 39.4 | Very low | 121 Ų | 121 | 128.9 Ų | 128.9 | 85% | 0.846 | 77% | 0.765 | S | S | * | * | trans | 85.2 | 131.5 | 148.5 | 65.1 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 61 | N | 37.9 | Very low | 38.5 | Very low | 158 Ų | 158 | 129.8 Ų | 129.8 | 85% | 0.845 | 77% | 0.773 | S | S | * | * | trans | -88.7 | -175.2 | -169.7 | -145 | 24 | 0 | 0 | 0 | 111.1 | ||||
| 62 | P | 52.2 | Low | 39.1 | Very low | 98 Ų | 98 | 126.1 Ų | 126.1 | 64% | 0.636 | 77% | 0.766 | S | S | * | * | -98.1 | -176.3 | -120.3 | 39.7 | -23.3 | 0 | 0 | 0 | 114.6 | |||||
| 63 | P | 47 | Very low | 39.2 | Very low | 126 Ų | 126 | 130 Ų | 130 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | trans | -134 | 147.2 | 141.1 | 34.6 | -20.2 | 0 | 0 | 0 | 114.9 | ||||
| 64 | H | 43.9 | Very low | 38.7 | Very low | 174 Ų | 174 | 132.4 Ų | 132.4 | 81% | 0.806 | 78% | 0.779 | S | S | * | * | trans | -62.9 | 143 | 157.8 | -75 | -105.3 | 0 | 0 | 0 | 109.9 | ||||
| 65 | D | 30.5 | Very low | 38.9 | Very low | 149 Ų | 149 | 132.8 Ų | 132.8 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | -173.6 | 134.8 | 118.4 | -110.3 | -37.8 | 0 | 0 | 0 | 114.8 | |||||
| 66 | S | 36.3 | Very low | 39.1 | Very low | 96 Ų | 96 | 135.5 Ų | 135.5 | 67% | 0.671 | 79% | 0.786 | S | S | * | * | trans | 55 | 100.4 | 133 | -60.6 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 67 | S | 35.1 | Very low | 39.4 | Very low | 130 Ų | 130 | 135.8 Ų | 135.8 | 91% | 0.909 | 79% | 0.786 | S | S | * | * | trans | -81.9 | 113.3 | 161.3 | -17.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 68 | L | 37.1 | Very low | 39 | Very low | 166 Ų | 166 | 137.3 Ų | 137.3 | 87% | 0.869 | 80% | 0.795 | S | S | * | * | trans | -123.6 | 147.3 | 167.5 | -74.2 | 175.2 | 0 | 0 | 0 | 110.2 | ||||
| 69 | S | 34.4 | Very low | 39.2 | Very low | 120 Ų | 120 | 132.5 Ų | 132.5 | 84% | 0.839 | 79% | 0.793 | S | S | * | * | trans | 99.7 | 92.6 | 156.6 | -156.2 | 0 | 0 | 0 | 0 | 118 | ||||
| 70 | S | 39.8 | Very low | 39.4 | Very low | 104 Ų | 104 | 132.9 Ų | 132.9 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | trans | -71.2 | 143.4 | 156.7 | 48.5 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 71 | S | 35 | Very low | 39.7 | Very low | 120 Ų | 120 | 133.5 Ų | 133.5 | 84% | 0.839 | 80% | 0.796 | S | S | * | * | trans | -172.9 | 162.8 | 137.8 | -99.6 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 72 | P | 48 | Very low | 39.5 | Very low | 103 Ų | 103 | 134.1 Ų | 134.1 | 67% | 0.669 | 80% | 0.798 | S | S | * | * | trans | -108.1 | 171.4 | -134.2 | 41.4 | -36.6 | 0 | 0 | 0 | 114.3 | ||||
| 73 | Y | 33.7 | Very low | 38.6 | Very low | 219 Ų | 219 | 135.4 Ų | 135.4 | 86% | 0.859 | 81% | 0.809 | S | S | * | * | -178.9 | 123.3 | 124.2 | -116 | -95 | 0 | 0 | 0 | 110.4 | |||||
| 74 | N | 41 | Very low | 37.9 | Very low | 155 Ų | 155 | 136.8 Ų | 136.8 | 83% | 0.829 | 81% | 0.81 | S | S | * | * | trans | -131.3 | 118.1 | 174.1 | -174.8 | 20.8 | 0 | 0 | 0 | 105.9 | ||||
| 75 | S | 38.7 | Very low | 37.5 | Very low | 104 Ų | 104 | 133.1 Ų | 133.1 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | trans | -167.4 | 106.6 | 168.3 | -76.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 76 | L | 39 | Very low | 38 | Very low | 166 Ų | 166 | 134.3 Ų | 134.3 | 87% | 0.869 | 81% | 0.81 | S | S | * | * | trans | -115.5 | 143.1 | 158 | -76.3 | 169.7 | 0 | 0 | 0 | 108.1 | ||||
| 77 | P | 43.5 | Very low | 38.5 | Very low | 115 Ų | 115 | 135 Ų | 135 | 75% | 0.747 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 152.5 | -176.2 | 32 | -34.6 | 0 | 0 | 0 | 113.3 | ||
| 78 | P | 43.3 | Very low | 39.3 | Very low | 128 Ų | 128 | 134.4 Ų | 134.4 | 83% | 0.831 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 141.6 | 178.7 | 32 | -32.7 | 0 | 0 | 0 | 113.2 | ||
| 79 | S | 36.1 | Very low | 39.8 | Very low | 109 Ų | 109 | 132.6 Ų | 132.6 | 76% | 0.762 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 153.8 | 174.9 | -51.9 | 0 | 0 | 0 | 0 | 112.9 | ||
| 80 | P | 40.5 | Very low | 40.1 | Very low | 129 Ų | 129 | 132.5 Ų | 132.5 | 84% | 0.838 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 144.2 | -171.3 | 31 | -34.8 | 0 | 0 | 0 | 113.7 | ||
| 81 | T | 39.7 | Very low | 39.6 | Very low | 135 Ų | 135 | 131.4 Ų | 131.4 | 83% | 0.828 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -93.4 | 125.3 | 173.3 | 56.8 | 0 | 0 | 0 | 0 | 110.1 | ||
| 82 | L | 33.8 | Very low | 39.7 | Very low | 170 Ų | 170 | 131 Ų | 131 | 89% | 0.89 | 81% | 0.805 | S | S | * | * | trans | -113 | 115 | 163.5 | -72.5 | 174.7 | 0 | 0 | 0 | 109.2 | ||||
| 83 | S | 33.8 | Very low | 39 | Very low | 125 Ų | 125 | 131.4 Ų | 131.4 | 87% | 0.874 | 81% | 0.811 | S | S | * | * | trans | -153.8 | 107.9 | 157.4 | -77.8 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 84 | D | 32.3 | Very low | 39.1 | Very low | 156 Ų | 156 | 126.7 Ų | 126.7 | 83% | 0.834 | 81% | 0.81 | S | S | * | * | trans | -158.2 | 115.1 | 138.1 | -147.9 | 2.4 | 0 | 0 | 0 | 110.4 | ||||
| 85 | A | 34.9 | Very low | 38.9 | Very low | 96 Ų | 96 | 126.9 Ų | 126.9 | 79% | 0.793 | 81% | 0.809 | S | S | * | * | trans | -162.7 | 110.2 | 162.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 86 | H | 41.4 | Very low | 38.7 | Very low | 174 Ų | 174 | 127.5 Ų | 127.5 | 81% | 0.806 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 140.9 | 170.3 | -89.9 | -95.2 | 0 | 0 | 0 | 112.4 | ||
| 87 | P | 48.1 | Very low | 38.4 | Very low | 111 Ų | 111 | 125.2 Ų | 125.2 | 72% | 0.721 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -91.7 | 146.2 | 166.7 | 33.2 | -29.2 | 0 | 0 | 0 | 112.5 | ||
| 88 | P | 51.5 | Low | 37.8 | Very low | 117 Ų | 117 | 125 Ų | 125 | 76% | 0.76 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 168.7 | 169.6 | 33.3 | -33.6 | 0 | 0 | 0 | 112.3 | ||
| 89 | P | 48.1 | Very low | 37.4 | Very low | 128 Ų | 128 | 124.5 Ų | 124.5 | 83% | 0.831 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 155 | -168.6 | 31.2 | -34.9 | 0 | 0 | 0 | 114.4 | ||
| 90 | S | 39.4 | Very low | 37.2 | Very low | 118 Ų | 118 | 124.4 Ų | 124.4 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | trans | -44.9 | 138.7 | -174.4 | -48.6 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 91 | G | 29.7 | Very low | 36.9 | Very low | 81 Ų | 81 | 123.8 Ų | 123.8 | 84% | 0.835 | 81% | 0.81 | S | S | * | * | trans | -134 | 98.6 | 151.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 92 | S | 38.2 | Very low | 36.7 | Very low | 111 Ų | 111 | 123.7 Ų | 123.7 | 78% | 0.776 | 80% | 0.803 | S | S | * | * | trans | -88.8 | 120.9 | 178.7 | -54.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 93 | S | 31.7 | Very low | 36.8 | Very low | 113 Ų | 113 | 121 Ų | 121 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | trans | -136.5 | 91.9 | 153.9 | 57.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 94 | S | 37.3 | Very low | 36.8 | Very low | 120 Ų | 120 | 123.4 Ų | 123.4 | 84% | 0.839 | 79% | 0.793 | S | S | * | * | trans | -82.6 | 106.7 | 169.3 | -50.1 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 95 | I | 36.8 | Very low | 37.1 | Very low | 158 Ų | 158 | 121.5 Ų | 121.5 | 81% | 0.81 | 79% | 0.79 | S | S | * | * | trans | -100.1 | 122 | 160.1 | 50.5 | 166.5 | 0 | 0 | 0 | 108.3 | ||||
| 96 | S | 33.8 | Very low | 37 | Very low | 117 Ų | 117 | 124.4 Ų | 124.4 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | -65 | 125.6 | 174.6 | -57 | 0 | 0 | 0 | 0 | 110 | ||||
| 97 | S | 31.6 | Very low | 36.6 | Very low | 119 Ų | 119 | 121.5 Ų | 121.5 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | trans | -87.2 | 109 | 165.6 | -58.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 98 | S | 32.8 | Very low | 35.8 | Very low | 111 Ų | 111 | 123 Ų | 123 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | trans | -79 | 119.1 | 161.8 | -62.9 | 0 | 0 | 0 | 0 | 108.5 | S100 | S98-S100 PolarHBondContact O-N 2.97Š| ||
| 99 | S | 34.9 | Very low | 34.8 | Very low | 117 Ų | 117 | 122.5 Ų | 122.5 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | -69.5 | 123.5 | 172 | -60.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 100 | S | 30.5 | Very low | 33.9 | Very low | 106 Ų | 106 | 123.5 Ų | 123.5 | 74% | 0.741 | 79% | 0.788 | S | S | * | * | trans | -123.5 | 106.2 | 161.3 | -60 | 0 | 0 | 0 | 0 | 107.7 | S98 I102 | S98-S100 PolarHBondContact O-N 2.97Å; S100-I102 PolarHBondContact O-N 3.43Å | ||
| 101 | S | 35.1 | Very low | 33.5 | Very low | 117 Ų | 117 | 123.3 Ų | 123.3 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | -81 | 111.6 | 173.3 | -55.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 102 | I | 36 | Very low | 33.6 | Very low | 133 Ų | 133 | 128.2 Ų | 128.2 | 68% | 0.682 | 79% | 0.786 | S | S | * | * | trans | -102.3 | 109.3 | 168.1 | -59.7 | 170.3 | 0 | 0 | 0 | 106.5 | S100 F104 | S100-I102 PolarHBondContact O-N 3.43Å; I102-F104 HydrophobicContact CG2-CD2 4.33Å; I102-F104 HydrophobicContact CG2-CE2 3.92Å; I102-F104 HydrophobicContact CG2-CZ 4.05Å | ||
| 103 | S | 35.5 | Very low | 33.4 | Very low | 112 Ų | 112 | 129.1 Ų | 129.1 | 78% | 0.783 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 120.9 | 171.1 | -59.1 | 0 | 0 | 0 | 0 | 109 | ||
| 104 | F | 34.1 | Very low | 33.5 | Very low | 176 Ų | 176 | 128.6 Ų | 128.6 | 77% | 0.772 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -94.2 | 131.9 | 166.9 | -70.8 | -80.8 | 0 | 0 | 0 | 109.6 | I102 | I102-F104 HydrophobicContact CG2-CD2 4.33Å; I102-F104 HydrophobicContact CG2-CE2 3.92Å; I102-F104 HydrophobicContact CG2-CZ 4.05Å |
| 105 | P | 37.9 | Very low | 33.2 | Very low | 116 Ų | 116 | 126.8 Ų | 126.8 | 75% | 0.753 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 116 | 166.4 | 31.8 | -27.5 | 0 | 0 | 0 | 109.3 | ||
| 106 | L | 31.7 | Very low | 33 | Very low | 158 Ų | 158 | 127.3 Ų | 127.3 | 83% | 0.827 | 79% | 0.786 | S | S | * | * | trans | -93.5 | 101.5 | 163.6 | -71.3 | 173.5 | 0 | 0 | 0 | 108.2 | ||||
| 107 | S | 33 | Very low | 33.1 | Very low | 112 Ų | 112 | 127.3 Ų | 127.3 | 78% | 0.783 | 79% | 0.786 | S | S | * | * | trans | -80.7 | 109.4 | 161.4 | -64.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 108 | I | 32.1 | Very low | 33.1 | Very low | 143 Ų | 143 | 127.7 Ų | 127.7 | 73% | 0.733 | 79% | 0.788 | S | S | * | * | trans | -111.2 | 106.5 | 162.2 | -62.6 | 175.3 | 0 | 0 | 0 | 106.3 | N110 | I108-N110 PolarHBondContact O-N 2.87Š| ||
| 109 | S | 30 | Very low | 33 | Very low | 107 Ų | 107 | 125.7 Ų | 125.7 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | trans | -71.5 | 111.6 | 173.6 | -65.1 | 0 | 0 | 0 | 0 | 109.7 | S111 | S109-S111 PolarHBondContact O-N 3.5Š| ||
| 110 | N | 30.8 | Very low | 32.9 | Very low | 148 Ų | 148 | 125.7 Ų | 125.7 | 79% | 0.791 | 79% | 0.785 | S | S | * | * | trans | -80.3 | 105.8 | 160.5 | -98.6 | 17.4 | 0 | 0 | 0 | 108.6 | I108 F112 | I108-N110 PolarHBondContact O-N 2.87Å; N110-F112 PolarHBondContact O-N 3.13Å | ||
| 111 | S | 30 | Very low | 33.1 | Very low | 114 Ų | 114 | 130.1 Ų | 130.1 | 80% | 0.797 | 79% | 0.794 | S | S | * | * | trans | -88.5 | 96.4 | 166.3 | -69.2 | 0 | 0 | 0 | 0 | 109.4 | S109 | S109-S111 PolarHBondContact O-N 3.5Š| ||
| 112 | F | 32.9 | Very low | 32.9 | Very low | 184 Ų | 184 | 128.1 Ų | 128.1 | 81% | 0.807 | 79% | 0.792 | S | S | * | * | trans | -88.7 | 117.6 | 167.1 | -137.3 | -88.4 | 0 | 0 | 0 | 108.2 | N110 | N110-F112 PolarHBondContact O-N 3.13Š| ||
| 113 | T | 32.4 | Very low | 32.6 | Very low | 131 Ų | 131 | 128.9 Ų | 128.9 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | trans | -90.8 | 105.3 | 174.1 | 62.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 114 | S | 33.7 | Very low | 32.6 | Very low | 102 Ų | 102 | 129 Ų | 129 | 71% | 0.713 | 79% | 0.794 | S | S | * | * | trans | -134.8 | 92 | 161.4 | -69.4 | 0 | 0 | 0 | 0 | 108 | ||||
| 115 | G | 31.7 | Very low | 32.5 | Very low | 81 Ų | 81 | 129 Ų | 129 | 84% | 0.835 | 80% | 0.796 | S | S | * | * | trans | -95.2 | 111 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 116 | I | 33.1 | Very low | 32.2 | Very low | 169 Ų | 169 | 129 Ų | 129 | 87% | 0.867 | 80% | 0.799 | S | S | * | * | trans | -64.5 | 141.3 | 169.2 | 45.3 | 170.1 | 0 | 0 | 0 | 112.3 | ||||
| 117 | S | 34.6 | Very low | 32.3 | Very low | 118 Ų | 118 | 127 Ų | 127 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | trans | -73.7 | 129.2 | 173.2 | -53.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 118 | S | 32.7 | Very low | 33.1 | Very low | 126 Ų | 126 | 127.6 Ų | 127.6 | 88% | 0.881 | 80% | 0.799 | S | S | * | * | trans | -177 | 125.6 | 141.2 | -89.6 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 119 | G | 31.2 | Very low | 33 | Very low | 70 Ų | 70 | 125.2 Ų | 125.2 | 72% | 0.722 | 80% | 0.801 | S | S | * | * | 93.4 | 107.6 | 127.2 | 0 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 120 | S | 31.6 | Very low | 33.3 | Very low | 116 Ų | 116 | 129.4 Ų | 129.4 | 81% | 0.811 | 81% | 0.808 | S | S | * | * | trans | 90 | 114.3 | 135 | 65.6 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 121 | Q | 34.3 | Very low | 33.5 | Very low | 199 Ų | 199 | 126.5 Ų | 126.5 | 93% | 0.93 | 81% | 0.813 | S | S | * | * | trans | 72.4 | 111.4 | 138.6 | -69.2 | -173.6 | -4.1 | 0 | 0 | 121.3 | ||||
| 122 | G | 31.4 | Very low | 33.5 | Very low | 75 Ų | 75 | 124.1 Ų | 124.1 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | 106.2 | 94.1 | 106.9 | 0 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 123 | N | 30 | Very low | 33.8 | Very low | 150 Ų | 150 | 121.7 Ų | 121.7 | 80% | 0.802 | 81% | 0.81 | S | S | * | * | 90.2 | 131 | 126.6 | -143 | 38.7 | 0 | 0 | 0 | 122.8 | |||||
| 124 | V | 35.8 | Very low | 34 | Very low | 114 Ų | 114 | 124.5 Ų | 124.5 | 69% | 0.691 | 81% | 0.814 | S | S | * | * | trans | 66.6 | 108.7 | 152.6 | -70.5 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 125 | E | 32.6 | Very low | 34.1 | Very low | 175 Ų | 175 | 122.4 Ų | 122.4 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | 58.7 | 107.6 | 115.1 | -152.7 | 85.2 | 76.4 | 0 | 0 | 120.4 | |||||
| 126 | S | 30.1 | Very low | 34.7 | Very low | 117 Ų | 117 | 124.9 Ų | 124.9 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | 162.1 | 127.4 | 123.4 | 48.7 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 127 | S | 33.6 | Very low | 35.5 | Very low | 116 Ų | 116 | 122.5 Ų | 122.5 | 81% | 0.811 | 80% | 0.803 | S | S | * | * | trans | -99.9 | -175.7 | 167.4 | -69.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 128 | P | 51.2 | Low | 35.9 | Very low | 124 Ų | 124 | 122.9 Ų | 122.9 | 81% | 0.805 | 80% | 0.803 | S | S | * | * | cis | -130.5 | 166.2 | -42.9 | 30.5 | -13 | 0 | 0 | 0 | 111.7 | ||||
| 129 | A | 29 | Very low | 37.3 | Very low | 94 Ų | 94 | 119.6 Ų | 119.6 | 78% | 0.777 | 78% | 0.783 | S | S | * | * | trans | -156.4 | 123.3 | 157.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 130 | H | 37.2 | Very low | 39.4 | Very low | 194 Ų | 194 | 118.9 Ų | 118.9 | 90% | 0.898 | 77% | 0.767 | S | S | * | * | trans | 72.5 | 100.3 | 148.6 | -70.6 | -3.3 | 0 | 0 | 0 | 120.8 | ||||
| 131 | G | 34.4 | Very low | 41.3 | Very low | 87 Ų | 87 | 119.6 Ų | 119.6 | 90% | 0.897 | 76% | 0.761 | S | S | * | * | trans | -80.6 | 145 | 155.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 132 | G | 30.5 | Very low | 43 | Very low | 64 Ų | 64 | 117.2 Ų | 117.2 | 66% | 0.66 | 75% | 0.75 | S | S | * | * | trans | -133.7 | 152.1 | 161.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | Q134 | G132-Q134 PolarHBondContact O-N 3.38Š| ||
| 133 | P | 39.6 | Very low | 45 | Very low | 134 Ų | 134 | 117.3 Ų | 117.3 | 87% | 0.87 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 119.3 | -162.6 | 31 | -32 | 0 | 0 | 0 | 110.5 | G135 | P133-G135 PolarHBondContact O-N 3.45Š|
| 134 | Q | 35.9 | Very low | 47.6 | Very low | 190 Ų | 190 | 115.1 Ų | 115.1 | 89% | 0.888 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 118 | 162.7 | -74.3 | -174 | 10.7 | 0 | 0 | 107.8 | G132 | G132-Q134 PolarHBondContact O-N 3.38Š|
| 135 | G | 35.1 | Very low | 49.6 | Very low | 57 Ų | 57 | 114.7 Ų | 114.7 | 59% | 0.588 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 161.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | P133 T137 | P133-G135 PolarHBondContact O-N 3.45Å; G135-T137 PolarHBondContact O-N 3.17Å |
| 136 | P | 44.4 | Very low | 51.9 | Low | 133 Ų | 133 | 114.8 Ų | 114.8 | 86% | 0.864 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 128.7 | -172.9 | 27.8 | -31.6 | 0 | 0 | 0 | 109.9 | ||
| 137 | T | 50.3 | Low | 54.3 | Low | 119 Ų | 119 | 114.7 Ų | 114.7 | 73% | 0.73 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 144.8 | 170 | 47 | 0 | 0 | 0 | 0 | 111.1 | G135 A139 | G135-T137 PolarHBondContact O-N 3.17Å; T137-A139 PolarHBondContact O-N 3.24Å; T137-A139 VanDerWaalsContact O-N 3.09Å |
| 138 | P | 44.2 | Very low | 56.1 | Low | 127 Ų | 127 | 112 Ų | 112 | 83% | 0.825 | 68% | 0.681 | S | S | * | * | trans | -65.6 | 115.6 | 175.2 | 27.8 | -32.2 | 0 | 0 | 0 | 108.8 | S140 | P138-S140 PolarHBondContact O-N 3.01Š| ||
| 139 | A | 61.9 | Low | 57.1 | Low | 56 Ų | 56 | 108.5 Ų | 108.5 | 46% | 0.463 | 66% | 0.662 | S | S | . | * | trans | -54.1 | 136.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | T137 D143 | T137-A139 PolarHBondContact O-N 3.24Å; T137-A139 VanDerWaalsContact O-N 3.09Å; A139-D143 HydrophobicContact CB-CB 3.99Å | ||
| 140 | S | 74.3 | Confident | 59.1 | Low | 55 Ų | 55 | 108.4 Ų | 108.4 | 39% | 0.385 | 65% | 0.648 | S | S | . | * | trans | -62.4 | 154.6 | 179.2 | 71.6 | 0 | 0 | 0 | 0 | 109.7 | P138 E142 D143 L144 | P138-S140 PolarHBondContact O-N 3.01Å; S140-E142 PolarHBondContact O-N 2.76Å; S140-E142 VanDerWaalsContact O-N 3.09Å; S140-D143 PolarHBondContact N-OD2 3.36Å; S140-D143 VanDerWaalsContact N-OD2 3.08Å; S140-D143 WeakPolarHBondContact O-CB 3.43Å; S140-D143 PolarHBondContact O-N 3.44Å; S140-D143 VanDerWaalsContact OG-CG 3.24Å; S140-D143 PolarHBondContact OG-N 3.44Å; S140-D143 PolarHBondContact OG-OD2 2.97Å; S140-L144 PolarHBondContact O-N 3.15Å | ||
| 141 | L | 71.1 | Confident | 60.9 | Low | 131 Ų | 131 | 106.3 Ų | 106.3 | 69% | 0.686 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -53.8 | -32.6 | 178.7 | -179.8 | 64.3 | 0 | 0 | 0 | 111.8 | L144 I145 | L141-L144 PolarHBondContact O-N 2.9Å; L141-I145 HydrophobicContact CD1-CD1 4.48Å; L141-I145 HydrophobicContact CG-CD1 4.03Å; L141-I145 WeakPolarHBondContact O-CD1 3.42Å; L141-I145 VanDerWaalsContact O-CG1 3.24Å; L141-I145 WeakPolarHBondContact O-CG1 3.36Å; L141-I145 PolarHBondContact O-N 3.35Å |
| 142 | E | 69.6 | Low | 62.5 | Low | 149 Ų | 149 | 110.7 Ų | 110.7 | 70% | 0.696 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -66.1 | -38.6 | 175.6 | -66 | -178.6 | 177.5 | 0 | 0 | 112.3 | S140 I145 W146 | S140-E142 PolarHBondContact O-N 2.76Å; S140-E142 VanDerWaalsContact O-N 3.09Å; E142-I145 PolarHBondContact O-N 2.9Å; E142-W146 WeakPolarHBondContact O-CB 3.5Å; E142-W146 PolarHBondContact O-N 3.08Å |
| 143 | D | 75.3 | Confident | 64 | Low | 78 Ų | 78 | 114.8 Ų | 114.8 | 42% | 0.417 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -66.3 | -38.8 | 175.8 | -64.3 | -45.6 | 0 | 0 | 0 | 111.4 | A139 S140 W146 L147 | A139-D143 HydrophobicContact CB-CB 3.99Å; S140-D143 PolarHBondContact N-OD2 3.36Å; S140-D143 VanDerWaalsContact N-OD2 3.08Å; S140-D143 WeakPolarHBondContact O-CB 3.43Å; S140-D143 PolarHBondContact O-N 3.44Å; S140-D143 VanDerWaalsContact OG-CG 3.24Å; S140-D143 PolarHBondContact OG-N 3.44Å; S140-D143 PolarHBondContact OG-OD2 2.97Å; D143-W146 PolarHBondContact O-N 3.45Å; D143-L147 WeakPolarHBondContact O-CB 3.49Å; D143-L147 WeakPolarHBondContact O-CD1 3.37Å; D143-L147 PolarHBondContact O-N 2.94Å |
| 144 | L | 83.6 | Confident | 64.8 | Low | 104 Ų | 104 | 115.9 Ų | 115.9 | 55% | 0.545 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -66.6 | -39.1 | 176.1 | -74.5 | 167.6 | 0 | 0 | 0 | 111.8 | S140 L141 A148 | S140-L144 PolarHBondContact O-N 3.15Å; L141-L144 PolarHBondContact O-N 2.9Å; L144-A148 VanDerWaalsContact O-CB 3.28Å; L144-A148 WeakPolarHBondContact O-CB 3.4Å; L144-A148 PolarHBondContact O-N 2.95Å |
| 145 | I | 78.7 | Confident | 65.5 | Low | 105 Ų | 105 | 109.8 Ų | 109.8 | 54% | 0.538 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -65.9 | -42.5 | 175 | -68 | 164.1 | 0 | 0 | 0 | 110.2 | L141 E142 A148 A149 | L141-I145 HydrophobicContact CD1-CD1 4.48Å; L141-I145 HydrophobicContact CG-CD1 4.03Å; L141-I145 WeakPolarHBondContact O-CD1 3.42Å; L141-I145 VanDerWaalsContact O-CG1 3.24Å; L141-I145 WeakPolarHBondContact O-CG1 3.36Å; L141-I145 PolarHBondContact O-N 3.35Å; E142-I145 PolarHBondContact O-N 2.9Å; I145-A148 PolarHBondContact O-N 3.41Å; I145-A149 WeakPolarHBondContact O-CB 3.42Å; I145-A149 PolarHBondContact O-N 3.37Å |
| 146 | W | 80.3 | Confident | 66.3 | Low | 176 Ų | 176 | 110.3 Ų | 110.3 | 67% | 0.667 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -64.5 | -44.3 | 175.8 | -111.4 | 118.3 | 0 | 0 | 0 | 112.6 | E142 D143 A149 L150 | E142-W146 WeakPolarHBondContact O-CB 3.5Å; E142-W146 PolarHBondContact O-N 3.08Å; D143-W146 PolarHBondContact O-N 3.45Å; W146-A149 PolarHBondContact O-N 3.48Å; W146-L150 HydrophobicContact CE3-CD1 3.62Å; W146-L150 HydrophobicContact CZ3-CD1 3.62Å; W146-L150 PolarHBondContact O-N 2.87Å |
| 147 | L | 79.3 | Confident | 66.4 | Low | 116 Ų | 116 | 112.4 Ų | 112.4 | 61% | 0.607 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -64.5 | -41.1 | 177.3 | -97.5 | 74.7 | 0 | 0 | 0 | 111.8 | D143 L150 Q151 | D143-L147 WeakPolarHBondContact O-CB 3.49Å; D143-L147 WeakPolarHBondContact O-CD1 3.37Å; D143-L147 PolarHBondContact O-N 2.94Å; L147-L150 PolarHBondContact O-N 3.47Å; L147-Q151 WeakPolarHBondContact O-CB 3.22Å; L147-Q151 PolarHBondContact O-N 2.82Å |
| 148 | A | 73.4 | Confident | 65.7 | Low | 59 Ų | 59 | 113.6 Ų | 113.6 | 49% | 0.488 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -64.2 | -40.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L144 I145 Q151 Q152 | L144-A148 VanDerWaalsContact O-CB 3.28Å; L144-A148 WeakPolarHBondContact O-CB 3.4Å; L144-A148 PolarHBondContact O-N 2.95Å; I145-A148 PolarHBondContact O-N 3.41Å; A148-Q151 PolarHBondContact O-N 2.99Å; A148-Q152 PolarHBondContact O-N 2.77Å |
| 149 | A | 70.4 | Confident | 65.8 | Low | 50 Ų | 50 | 113.8 Ų | 113.8 | 41% | 0.413 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -64.5 | -40.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | I145 W146 Q151 Q152 Q153 | I145-A149 WeakPolarHBondContact O-CB 3.42Å; I145-A149 PolarHBondContact O-N 3.37Å; W146-A149 PolarHBondContact O-N 3.48Å; A149-Q151 VanDerWaalsContact C-N 3.34Å; A149-Q151 PolarHBondContact O-N 2.9Å; A149-Q152 PolarHBondContact O-N 3.48Å; A149-Q153 PolarHBondContact O-N 3.48Å |
| 150 | L | 72.6 | Confident | 64.6 | Low | 92 Ų | 92 | 114.5 Ų | 114.5 | 48% | 0.482 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -63.2 | -41.1 | 175.3 | -121.5 | 88.3 | 0 | 0 | 0 | 111.9 | W146 L147 Q152 Q153 F154 | W146-L150 HydrophobicContact CE3-CD1 3.62Å; W146-L150 HydrophobicContact CZ3-CD1 3.62Å; W146-L150 PolarHBondContact O-N 2.87Å; L147-L150 PolarHBondContact O-N 3.47Å; L150-Q152 VanDerWaalsContact C-N 3.28Å; L150-Q152 PolarHBondContact O-N 2.86Å; L150-Q153 PolarHBondContact O-N 2.79Å; L150-F154 PolarHBondContact O-N 3.27Å |
| 151 | Q | 73.9 | Confident | 63.2 | Low | 150 Ų | 150 | 118.3 Ų | 118.3 | 70% | 0.701 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -67.6 | -30.6 | 178.8 | -170.7 | 137.5 | 34.9 | 0 | 0 | 112.1 | L147 A148 A149 G155 | L147-Q151 WeakPolarHBondContact O-CB 3.22Å; L147-Q151 PolarHBondContact O-N 2.82Å; A148-Q151 PolarHBondContact O-N 2.99Å; A149-Q151 VanDerWaalsContact C-N 3.34Å; A149-Q151 PolarHBondContact O-N 2.9Å; Q151-G155 WeakPolarHBondContact O-CA 3.41Å; Q151-G155 PolarHBondContact O-N 2.99Å |
| 152 | Q | 67.9 | Low | 61.7 | Low | 179 Ų | 179 | 116.9 Ų | 116.9 | 84% | 0.836 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -76.1 | -25.1 | 176.3 | -155.4 | 166.5 | 77.4 | 0 | 0 | 112.7 | A148 A149 L150 | A148-Q152 PolarHBondContact O-N 2.77Å; A149-Q152 PolarHBondContact O-N 3.48Å; L150-Q152 VanDerWaalsContact C-N 3.28Å; L150-Q152 PolarHBondContact O-N 2.86Å |
| 153 | Q | 63.1 | Low | 60.7 | Low | 150 Ų | 150 | 116.2 Ų | 116.2 | 70% | 0.701 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -84 | -23 | 178.5 | -158.3 | 176.3 | -90.5 | 0 | 0 | 113.5 | A149 L150 | A149-Q153 PolarHBondContact O-N 3.48Å; L150-Q153 PolarHBondContact O-N 2.79Å |
| 154 | F | 55 | Low | 59.2 | Low | 158 Ų | 158 | 120.3 Ų | 120.3 | 69% | 0.693 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -123.6 | 4.2 | -178.3 | -66.9 | -77.3 | 0 | 0 | 0 | 114.6 | L150 G156 | L150-F154 PolarHBondContact O-N 3.27Å; F154-G156 PolarHBondContact O-N 2.78Å |
| 155 | G | 51 | Low | 57.2 | Low | 62 Ų | 62 | 124.1 Ų | 124.1 | 64% | 0.639 | 72% | 0.717 | S | S | * | * | trans | -81.7 | 32.1 | -173.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | Q151 | Q151-G155 WeakPolarHBondContact O-CA 3.41Å; Q151-G155 PolarHBondContact O-N 2.99Å | ||
| 156 | G | 51.7 | Low | 55.2 | Low | 67 Ų | 67 | 122.8 Ų | 122.8 | 69% | 0.691 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -100.8 | 98.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | F154 | F154-G156 PolarHBondContact O-N 2.78Š|
| 157 | E | 46.9 | Very low | 53.2 | Low | 178 Ų | 178 | 118.9 Ų | 118.9 | 83% | 0.832 | 73% | 0.734 | S | S | * | * | trans | 67.6 | 97.4 | 165.7 | -144.2 | -156.1 | -153.4 | 0 | 0 | 118.4 | ||||
| 158 | V | 35.6 | Very low | 51.1 | Low | 143 Ų | 143 | 121.9 Ų | 121.9 | 87% | 0.867 | 75% | 0.75 | S | S | * | * | trans | -145.6 | 122.3 | 141.4 | -176.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 159 | T | 45.5 | Very low | 49 | Very low | 132 Ų | 132 | 123.1 Ų | 123.1 | 81% | 0.81 | 77% | 0.768 | S | S | * | * | trans | -68.7 | 117.5 | 176.2 | 37.6 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 160 | G | 36.4 | Very low | 47.2 | Very low | 70 Ų | 70 | 124.5 Ų | 124.5 | 72% | 0.722 | 79% | 0.787 | S | S | * | * | trans | 92.3 | 166.9 | 152.3 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 161 | P | 45.6 | Very low | 45.7 | Very low | 135 Ų | 135 | 126.8 Ų | 126.8 | 88% | 0.877 | 80% | 0.804 | S | S | * | * | cis | -117.7 | 103.7 | -41.4 | 33.2 | -15.8 | 0 | 0 | 0 | 109.8 | ||||
| 162 | A | 39.6 | Very low | 44.5 | Very low | 101 Ų | 101 | 125.1 Ų | 125.1 | 84% | 0.835 | 81% | 0.806 | S | S | * | * | trans | -143.5 | 54.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 163 | T | 49.2 | Very low | 42.9 | Very low | 136 Ų | 136 | 124.6 Ų | 124.6 | 83% | 0.834 | 80% | 0.804 | S | S | * | * | trans | -109.2 | 80.4 | 165.2 | -46.6 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 164 | L | 43.3 | Very low | 41.7 | Very low | 164 Ų | 164 | 127.9 Ų | 127.9 | 86% | 0.859 | 81% | 0.81 | S | S | * | * | trans | -128.2 | 59.3 | 170.9 | -85.7 | -177.7 | 0 | 0 | 0 | 110.3 | ||||
| 165 | L | 42 | Very low | 40.6 | Very low | 184 Ų | 184 | 124 Ų | 124 | 96% | 0.963 | 82% | 0.815 | S | S | * | * | S | Bend | trans | -166.5 | 68 | 152.8 | -130.7 | 90.4 | 0 | 0 | 0 | 111.7 | ||
| 166 | G | 37.1 | Very low | 39.7 | Very low | 76 Ų | 76 | 128.9 Ų | 128.9 | 78% | 0.784 | 83% | 0.826 | S | S | * | * | trans | -166.7 | 43.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 167 | A | 38.4 | Very low | 39 | Very low | 94 Ų | 94 | 135 Ų | 135 | 78% | 0.777 | 83% | 0.828 | S | S | * | * | trans | -142.9 | 110.1 | 167.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 168 | L | 33.4 | Very low | 38.4 | Very low | 180 Ų | 180 | 133.3 Ų | 133.3 | 94% | 0.942 | 82% | 0.821 | S | S | * | * | trans | 176.5 | 104.4 | 140.9 | -91.7 | 174.3 | 0 | 0 | 0 | 110 | ||||
| 169 | G | 30.8 | Very low | 38.3 | Very low | 85 Ų | 85 | 137.6 Ų | 137.6 | 88% | 0.876 | 82% | 0.821 | S | S | * | * | trans | 65.7 | 129.1 | 149 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 170 | G | 31.7 | Very low | 37.6 | Very low | 78 Ų | 78 | 134.6 Ų | 134.6 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | cis | -174.9 | 158.2 | 9.9 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 171 | V | 40.4 | Very low | 38.2 | Very low | 140 Ų | 140 | 137.8 Ų | 137.8 | 85% | 0.848 | 83% | 0.825 | S | S | * | * | trans | -118.3 | 140.5 | 173.6 | 169 | 0 | 0 | 0 | 0 | 105 | ||||
| 172 | P | 49.5 | Very low | 37.6 | Very low | 115 Ų | 115 | 134.9 Ų | 134.9 | 75% | 0.747 | 82% | 0.82 | S | S | * | * | -145.9 | 152 | 89.7 | 37.2 | -16.8 | 0 | 0 | 0 | 113.2 | |||||
| 173 | E | 34.3 | Very low | 37.7 | Very low | 168 Ų | 168 | 138.4 Ų | 138.4 | 79% | 0.785 | 82% | 0.824 | S | S | * | * | -173.5 | 159.5 | 76.5 | -116.5 | -76.9 | 90.5 | 0 | 0 | 110.4 | |||||
| 174 | R | 38.7 | Very low | 37.1 | Very low | 220 Ų | 220 | 135 Ų | 135 | 83% | 0.83 | 82% | 0.816 | S | S | * | * | trans | -88.8 | 164 | -160.2 | -73.1 | 179 | 162.7 | -130.3 | 5 | 117.1 | ||||
| 175 | G | 30.7 | Very low | 37 | Very low | 77 Ų | 77 | 136.1 Ų | 136.1 | 79% | 0.794 | 81% | 0.814 | S | S | * | * | trans | 149.5 | 127.3 | 145.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 176 | D | 32.5 | Very low | 37.6 | Very low | 163 Ų | 163 | 133.8 Ų | 133.8 | 87% | 0.872 | 80% | 0.802 | S | S | * | * | cis | -157.7 | 165.1 | -0.4 | -153.3 | -23.6 | 0 | 0 | 0 | 107.1 | ||||
| 177 | R | 38 | Very low | 38.1 | Very low | 196 Ų | 196 | 130.9 Ų | 130.9 | 74% | 0.74 | 77% | 0.773 | S | S | * | * | trans | -72.5 | 142.3 | -166.3 | -130 | 174.1 | 174.9 | 143 | -0.7 | 112 | ||||
| 178 | E | 33.1 | Very low | 38.9 | Very low | 143 Ų | 143 | 131.4 Ų | 131.4 | 67% | 0.668 | 77% | 0.769 | S | S | * | * | 171 | 145.9 | 78.2 | -95.7 | -74.5 | 128.2 | 0 | 0 | 111.4 | |||||
| 179 | R | 34.1 | Very low | 39.9 | Very low | 232 Ų | 232 | 130.5 Ų | 130.5 | 88% | 0.875 | 76% | 0.76 | S | S | * | * | trans | 83 | 99.1 | 150 | -158.1 | 172.5 | -91.2 | -127.8 | -0.7 | 120.7 | ||||
| 180 | G | 31.7 | Very low | 41.2 | Very low | 70 Ų | 70 | 130.5 Ų | 130.5 | 72% | 0.722 | 74% | 0.74 | S | S | * | * | trans | -87.2 | -147.1 | 170 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 181 | P | 47.4 | Very low | 42.8 | Very low | 136 Ų | 136 | 129.8 Ų | 129.8 | 88% | 0.883 | 73% | 0.727 | S | S | * | * | cis | -115.8 | 142.1 | -26 | 36.1 | -21.3 | 0 | 0 | 0 | 111.4 | ||||
| 182 | G | 32.9 | Very low | 44.2 | Very low | 75 Ų | 75 | 127.2 Ų | 127.2 | 77% | 0.773 | 71% | 0.711 | S | S | * | * | trans | -146.4 | 109.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | G184 | G182-G184 PolarHBondContact O-N 3.45Š| ||
| 183 | N | 42.5 | Very low | 45.1 | Very low | 174 Ų | 174 | 127.4 Ų | 127.4 | 93% | 0.93 | 70% | 0.702 | S | S | * | * | trans | -53.2 | 96.1 | 173.6 | -86.1 | 15.7 | 0 | 0 | 0 | 110.3 | F185 | N183-F185 PolarHBondContact O-N 3.23Š| ||
| 184 | G | 35.8 | Very low | 46.6 | Very low | 64 Ų | 64 | 121.9 Ų | 121.9 | 66% | 0.66 | 69% | 0.685 | S | S | * | * | trans | -79.6 | 94 | 161.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | G182 L186 | G182-G184 PolarHBondContact O-N 3.45Å; G184-L186 VanDerWaalsContact C-N 3.3Å; G184-L186 PolarHBondContact O-N 3.34Å | ||
| 185 | F | 42.9 | Very low | 48.5 | Very low | 188 Ų | 188 | 117.3 Ų | 117.3 | 83% | 0.825 | 68% | 0.677 | S | S | * | * | trans | -60.2 | 97.7 | 159.4 | 179.8 | -96.8 | 0 | 0 | 0 | 106.9 | N183 G187 | N183-F185 PolarHBondContact O-N 3.23Å; F185-G187 PolarHBondContact O-N 3.02Å | ||
| 186 | L | 53.1 | Low | 50.4 | Low | 135 Ų | 135 | 119.2 Ų | 119.2 | 71% | 0.707 | 67% | 0.668 | S | S | * | * | trans | -66.3 | 112.8 | 174.5 | -76.2 | 154.2 | 0 | 0 | 0 | 107.4 | G184 | G184-L186 VanDerWaalsContact C-N 3.3Å; G184-L186 PolarHBondContact O-N 3.34Å | ||
| 187 | G | 48.9 | Very low | 52.1 | Low | 16 Ų | 16 | 116.5 Ų | 116.5 | 17% | 0.165 | 65% | 0.653 | C | S | . | * | trans | -60 | 148.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | F185 E189 D190 | F185-G187 PolarHBondContact O-N 3.02Å; G187-E189 PolarHBondContact O-N 3.08Å; G187-D190 PolarHBondContact O-N 3.29Å | ||
| 188 | C | 53.4 | Low | 53.5 | Low | 105 Ų | 105 | 110.9 Ų | 110.9 | 71% | 0.709 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -51.8 | -25.9 | -179.1 | -29.9 | 0 | 0 | 0 | 0 | 113 | V192 | C188-V192 WeakPolarHBondContact O-CG2 3.38Å; C188-V192 PolarHBondContact O-N 3.08Å |
| 189 | E | 55.3 | Low | 54.7 | Low | 160 Ų | 160 | 106.6 Ų | 106.6 | 75% | 0.748 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -65.1 | -40.3 | 178.2 | 63.8 | -149.1 | 149.8 | 0 | 0 | 113.2 | G187 V192 E193 | G187-E189 PolarHBondContact O-N 3.08Å; E189-V192 PolarHBondContact O-N 3.39Å; E189-E193 PolarHBondContact O-N 2.7Å; E189-E193 VanDerWaalsContact O-N 3.16Å |
| 190 | D | 58.4 | Low | 55.6 | Low | 86 Ų | 86 | 98 Ų | 98 | 46% | 0.46 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -77.8 | -29.4 | -175.7 | -139.7 | 3.7 | 0 | 0 | 0 | 111.4 | G187 E193 A194 | G187-D190 PolarHBondContact O-N 3.29Å; D190-E193 PolarHBondContact O-N 3.17Å; D190-A194 WeakPolarHBondContact O-CB 3.25Å; D190-A194 PolarHBondContact O-N 3.49Å |
| 191 | A | 64.5 | Low | 56.8 | Low | 63 Ų | 63 | 97.6 Ų | 97.6 | 52% | 0.521 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -69.2 | -33.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L195 | A191-L195 WeakPolarHBondContact O-CB 3.36Å; A191-L195 PolarHBondContact O-N 3.39Å |
| 192 | V | 69.4 | Low | 57.1 | Low | 86 Ų | 86 | 93.8 Ų | 93.8 | 52% | 0.521 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -71.4 | -39.1 | 175.1 | 172.4 | 0 | 0 | 0 | 0 | 110.5 | C188 E189 L195 L196 | C188-V192 WeakPolarHBondContact O-CG2 3.38Å; C188-V192 PolarHBondContact O-N 3.08Å; E189-V192 PolarHBondContact O-N 3.39Å; V192-L195 PolarHBondContact O-N 2.98Å; V192-L196 HydrophobicContact CG1-CD1 3.97Å; V192-L196 WeakPolarHBondContact O-CB 3.44Å; V192-L196 WeakPolarHBondContact O-CG 3.5Å; V192-L196 PolarHBondContact O-N 3.38Å |
| 193 | E | 68.3 | Low | 58.1 | Low | 119 Ų | 119 | 95 Ų | 95 | 56% | 0.556 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -68.7 | -38.8 | 176.7 | -162.2 | 165.1 | -174.2 | 0 | 0 | 111.9 | E189 D190 L195 L196 N197 | E189-E193 PolarHBondContact O-N 2.7Å; E189-E193 VanDerWaalsContact O-N 3.16Å; D190-E193 PolarHBondContact O-N 3.17Å; E193-L195 PolarHBondContact O-N 3.4Å; E193-L196 PolarHBondContact O-N 3.03Å; E193-N197 WeakPolarHBondContact O-CB 3.25Å; E193-N197 PolarHBondContact O-N 2.95Å; E193-N197 PolarHBondContact O-ND2 2.59Å |
| 194 | A | 67.9 | Low | 58.5 | Low | 52 Ų | 52 | 91.1 Ų | 91.1 | 43% | 0.43 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -64 | -37.7 | 171 | 0 | 0 | 0 | 0 | 0 | 112.6 | D190 S198 | D190-A194 WeakPolarHBondContact O-CB 3.25Å; D190-A194 PolarHBondContact O-N 3.49Å; A194-S198 VanDerWaalsContact O-CB 3.31Å; A194-S198 WeakPolarHBondContact O-CB 3.38Å; A194-S198 PolarHBondContact O-N 3.03Å; A194-S198 PolarHBondContact O-OG 2.93Å |
| 195 | L | 77.8 | Confident | 59.1 | Low | 124 Ų | 124 | 92.3 Ų | 92.3 | 65% | 0.649 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -69.4 | -40.9 | 176.8 | -174.3 | 65.2 | 0 | 0 | 0 | 111.9 | A191 V192 E193 S198 A199 | A191-L195 WeakPolarHBondContact O-CB 3.36Å; A191-L195 PolarHBondContact O-N 3.39Å; V192-L195 PolarHBondContact O-N 2.98Å; E193-L195 PolarHBondContact O-N 3.4Å; L195-S198 PolarHBondContact O-N 2.98Å; L195-A199 WeakPolarHBondContact O-CB 3.39Å; L195-A199 PolarHBondContact O-N 3.33Å |
| 196 | L | 71.2 | Confident | 59.2 | Low | 117 Ų | 117 | 90.7 Ų | 90.7 | 61% | 0.613 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -65.2 | -42 | 175.3 | -78.3 | 164.3 | 0 | 0 | 0 | 111.8 | V192 E193 A199 A200 | V192-L196 HydrophobicContact CG1-CD1 3.97Å; V192-L196 WeakPolarHBondContact O-CB 3.44Å; V192-L196 WeakPolarHBondContact O-CG 3.5Å; V192-L196 PolarHBondContact O-N 3.38Å; E193-L196 PolarHBondContact O-N 3.03Å; L196-A199 PolarHBondContact O-N 2.95Å; L196-A200 WeakPolarHBondContact O-CB 3.22Å; L196-A200 PolarHBondContact O-N 3.44Å |
| 197 | N | 66.9 | Low | 58.6 | Low | 106 Ų | 106 | 92.6 Ų | 92.6 | 57% | 0.567 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -67.4 | -36.2 | 175.4 | -80.2 | -32.7 | 0 | 0 | 0 | 112.4 | E193 A200 A201 | E193-N197 WeakPolarHBondContact O-CB 3.25Å; E193-N197 PolarHBondContact O-N 2.95Å; E193-N197 PolarHBondContact O-ND2 2.59Å; N197-A200 PolarHBondContact O-N 3.5Å; N197-A201 PolarHBondContact O-N 3.47Å |
| 198 | S | 67.4 | Low | 58 | Low | 77 Ų | 77 | 97.7 Ų | 97.7 | 54% | 0.538 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -67.6 | -38.8 | 174.9 | -59.3 | 0 | 0 | 0 | 0 | 112 | A194 L195 A201 A202 | A194-S198 VanDerWaalsContact O-CB 3.31Å; A194-S198 WeakPolarHBondContact O-CB 3.38Å; A194-S198 PolarHBondContact O-N 3.03Å; A194-S198 PolarHBondContact O-OG 2.93Å; L195-S198 PolarHBondContact O-N 2.98Å; S198-A201 PolarHBondContact O-N 3.13Å; S198-A202 PolarHBondContact O-N 3.35Å |
| 199 | A | 59.4 | Low | 57.1 | Low | 53 Ų | 53 | 95.8 Ų | 95.8 | 44% | 0.438 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -65.8 | -39.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L195 L196 A201 A202 V203 | L195-A199 WeakPolarHBondContact O-CB 3.39Å; L195-A199 PolarHBondContact O-N 3.33Å; L196-A199 PolarHBondContact O-N 2.95Å; A199-A201 VanDerWaalsContact C-N 3.35Å; A199-A201 PolarHBondContact O-N 3.48Å; A199-A202 PolarHBondContact O-N 3.47Å; A199-V203 WeakPolarHBondContact O-CG2 3.31Å; A199-V203 PolarHBondContact O-N 3.4Å; A199-V203 VanDerWaalsContact O-N 3.08Å |
| 200 | A | 53.3 | Low | 56.1 | Low | 53 Ų | 53 | 96.6 Ų | 96.6 | 44% | 0.438 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -64.9 | -36.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | L196 N197 S204 | L196-A200 WeakPolarHBondContact O-CB 3.22Å; L196-A200 PolarHBondContact O-N 3.44Å; N197-A200 PolarHBondContact O-N 3.5Å; A200-S204 PolarHBondContact O-N 3.12Å; A200-S204 PolarHBondContact O-OG 3.4Å |
| 201 | A | 54.9 | Low | 55 | Low | 61 Ų | 61 | 98 Ų | 98 | 50% | 0.504 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -69.8 | -38.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | N197 S198 A199 S204 S205 | N197-A201 PolarHBondContact O-N 3.47Å; S198-A201 PolarHBondContact O-N 3.13Å; A199-A201 VanDerWaalsContact C-N 3.35Å; A199-A201 PolarHBondContact O-N 3.48Å; A201-S204 PolarHBondContact O-N 3.44Å; A201-S205 PolarHBondContact O-N 2.92Å; A201-S205 VanDerWaalsContact O-N 3.08Å |
| 202 | A | 54.3 | Low | 53.6 | Low | 55 Ų | 55 | 103.7 Ų | 103.7 | 46% | 0.455 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -65.2 | -41.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | S198 A199 S204 S205 Q206 | S198-A202 PolarHBondContact O-N 3.35Å; A199-A202 PolarHBondContact O-N 3.47Å; A202-S204 VanDerWaalsContact C-N 3.31Å; A202-S204 PolarHBondContact O-N 3.27Å; A202-S205 PolarHBondContact O-N 2.94Å; A202-S205 PolarHBondContact O-OG 2.93Å; A202-Q206 PolarHBondContact O-N 3.39Å |
| 203 | V | 54.6 | Low | 51.9 | Low | 102 Ų | 102 | 104.1 Ų | 104.1 | 62% | 0.618 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -66.2 | -33.7 | 175.3 | 174.7 | 0 | 0 | 0 | 0 | 111.7 | A199 S205 Q206 | A199-V203 WeakPolarHBondContact O-CG2 3.31Å; A199-V203 PolarHBondContact O-N 3.4Å; A199-V203 VanDerWaalsContact O-N 3.08Å; V203-S205 VanDerWaalsContact C-N 3.33Å; V203-Q206 PolarHBondContact O-N 2.94Å |
| 204 | S | 51.3 | Low | 50 | Low | 91 Ų | 91 | 104 Ų | 104 | 64% | 0.636 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -72.8 | -24.7 | 176.2 | -59 | 0 | 0 | 0 | 0 | 113.2 | A200 A201 A202 | A200-S204 PolarHBondContact O-N 3.12Å; A200-S204 PolarHBondContact O-OG 3.4Å; A201-S204 PolarHBondContact O-N 3.44Å; A202-S204 VanDerWaalsContact C-N 3.31Å; A202-S204 PolarHBondContact O-N 3.27Å |
| 205 | S | 47.8 | Very low | 48.6 | Very low | 90 Ų | 90 | 109.3 Ų | 109.3 | 63% | 0.629 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -82.2 | -12 | 177.9 | 74.5 | 0 | 0 | 0 | 0 | 114.3 | A201 A202 V203 | A201-S205 PolarHBondContact O-N 2.92Å; A201-S205 VanDerWaalsContact O-N 3.08Å; A202-S205 PolarHBondContact O-N 2.94Å; A202-S205 PolarHBondContact O-OG 2.93Å; V203-S205 VanDerWaalsContact C-N 3.33Å |
| 206 | Q | 45 | Very low | 46.5 | Very low | 154 Ų | 154 | 108.5 Ų | 108.5 | 72% | 0.72 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.3 | -0.4 | -177.1 | -136.1 | 170.6 | 26 | 0 | 0 | 114.1 | A202 V203 | A202-Q206 PolarHBondContact O-N 3.39Å; V203-Q206 PolarHBondContact O-N 2.94Å |
| 207 | F | 40.6 | Very low | 45 | Very low | 174 Ų | 174 | 110.9 Ų | 110.9 | 76% | 0.763 | 68% | 0.684 | S | S | * | * | trans | -137.5 | 95.7 | 172.6 | -75 | -81.3 | 0 | 0 | 0 | 111.8 | ||||
| 208 | P | 37.1 | Very low | 43.6 | Very low | 123 Ų | 123 | 113.9 Ų | 113.9 | 80% | 0.799 | 70% | 0.699 | S | S | * | * | trans | -82.9 | 117.6 | 169.6 | -0.9 | 19.1 | 0 | 0 | 0 | 110.9 | ||||
| 209 | G | 33.9 | Very low | 42.1 | Very low | 66 Ų | 66 | 113.9 Ų | 113.9 | 68% | 0.68 | 71% | 0.711 | S | S | * | * | trans | 87.8 | 131.6 | 162.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 210 | L | 34.3 | Very low | 40.8 | Very low | 177 Ų | 177 | 118.5 Ų | 118.5 | 93% | 0.927 | 73% | 0.728 | S | S | * | * | cis | -150 | 118.8 | 41.5 | -70.6 | 163.5 | 0 | 0 | 0 | 110.6 | ||||
| 211 | S | 36.1 | Very low | 40 | Very low | 114 Ų | 114 | 121.5 Ų | 121.5 | 80% | 0.797 | 75% | 0.746 | S | S | * | * | trans | -101.2 | 116.5 | 149 | -71.1 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 212 | Q | 34.4 | Very low | 39 | Very low | 183 Ų | 183 | 123.2 Ų | 123.2 | 86% | 0.855 | 76% | 0.755 | S | S | * | * | trans | -175.6 | 117.8 | 140.8 | -105.4 | 170.1 | 85.9 | 0 | 0 | 112.3 | ||||
| 213 | S | 33.1 | Very low | 38.4 | Very low | 95 Ų | 95 | 126.8 Ų | 126.8 | 66% | 0.664 | 78% | 0.776 | S | S | * | * | trans | 34.9 | 122.6 | 135.3 | 58.8 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 214 | S | 29.4 | Very low | 37.5 | Very low | 116 Ų | 116 | 129.2 Ų | 129.2 | 81% | 0.811 | 79% | 0.786 | S | S | * | * | 172.1 | 148 | 102.9 | -77 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 215 | N | 38.8 | Very low | 36.9 | Very low | 165 Ų | 165 | 130.1 Ų | 130.1 | 88% | 0.882 | 79% | 0.792 | S | S | * | * | trans | -43 | 143.9 | 167.7 | -69 | -29.1 | 0 | 0 | 0 | 114.6 | ||||
| 216 | S | 32.7 | Very low | 36.2 | Very low | 106 Ų | 106 | 129.9 Ų | 129.9 | 74% | 0.741 | 80% | 0.803 | S | S | * | * | trans | -157 | 120.3 | 144.2 | 58.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 217 | N | 40.3 | Very low | 35.7 | Very low | 167 Ų | 167 | 126.1 Ų | 126.1 | 89% | 0.893 | 81% | 0.806 | S | S | * | * | trans | -51.5 | 136.1 | 160.6 | -77.7 | -47.7 | 0 | 0 | 0 | 110.7 | ||||
| 218 | L | 37.8 | Very low | 35.5 | Very low | 169 Ų | 169 | 125.2 Ų | 125.2 | 89% | 0.885 | 81% | 0.809 | S | S | * | * | trans | -106 | 105.9 | 164.1 | -70.8 | 174.5 | 0 | 0 | 0 | 108.7 | ||||
| 219 | G | 35.8 | Very low | 35.5 | Very low | 77 Ų | 77 | 127 Ų | 127 | 79% | 0.794 | 81% | 0.81 | S | S | * | * | trans | -76.7 | 136.6 | 163.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 220 | D | 30.6 | Very low | 35.4 | Very low | 150 Ų | 150 | 129.1 Ų | 129.1 | 80% | 0.802 | 82% | 0.815 | S | S | * | * | trans | -69.7 | 134.7 | 167.5 | 175.2 | 14.5 | 0 | 0 | 0 | 110.2 | ||||
| 221 | S | 36.4 | Very low | 35.5 | Very low | 116 Ų | 116 | 126 Ų | 126 | 81% | 0.811 | 81% | 0.807 | S | S | * | * | trans | -161.8 | 117.2 | 147 | -83.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 222 | S | 35.5 | Very low | 35.3 | Very low | 98 Ų | 98 | 128 Ų | 128 | 69% | 0.685 | 81% | 0.814 | S | S | * | * | trans | -47.7 | 145.4 | 160.6 | 52.6 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 223 | S | 40.3 | Very low | 35.3 | Very low | 130 Ų | 130 | 128.9 Ų | 128.9 | 91% | 0.909 | 82% | 0.815 | S | S | * | * | -168.4 | 149.5 | 124.6 | -88.6 | 0 | 0 | 0 | 0 | 113 | |||||
| 224 | D | 35.3 | Very low | 35.1 | Very low | 153 Ų | 153 | 128.7 Ų | 128.7 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | trans | -98.1 | 175.2 | -165.7 | 179.2 | 36.8 | 0 | 0 | 0 | 112.5 | ||||
| 225 | S | 39.8 | Very low | 35.4 | Very low | 110 Ų | 110 | 127.5 Ų | 127.5 | 77% | 0.769 | 82% | 0.817 | S | S | * | * | trans | 101.8 | 123.4 | 174.5 | -54.9 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 226 | G | 33.9 | Very low | 35.1 | Very low | 84 Ų | 84 | 126.5 Ų | 126.5 | 87% | 0.866 | 81% | 0.811 | S | S | * | * | cis | 118.9 | 120.5 | 22.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 227 | G | 34.1 | Very low | 35.1 | Very low | 75 Ų | 75 | 128.7 Ų | 128.7 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | trans | 149.6 | 116.9 | 173 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 228 | D | 35.5 | Very low | 34.8 | Very low | 155 Ų | 155 | 125 Ų | 125 | 83% | 0.829 | 80% | 0.798 | S | S | * | * | trans | -80.4 | -178.8 | -171.6 | -55.1 | -78.9 | 0 | 0 | 0 | 115.7 | ||||
| 229 | I | 36.5 | Very low | 34.6 | Very low | 161 Ų | 161 | 125.5 Ų | 125.5 | 83% | 0.826 | 80% | 0.796 | S | S | * | * | trans | 101.9 | 109.8 | 145.6 | -36 | -178.8 | 0 | 0 | 0 | 120.2 | ||||
| 230 | S | 32 | Very low | 34.5 | Very low | 111 Ų | 111 | 133.5 Ų | 133.5 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | trans | 72.4 | 131.5 | 136.4 | -160.4 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 231 | C | 36.3 | Very low | 35.1 | Very low | 112 Ų | 112 | 131.9 Ų | 131.9 | 76% | 0.757 | 80% | 0.799 | S | S | * | * | trans | -52.9 | 149.1 | 165.9 | -57.1 | 0 | 0 | 0 | 0 | 115 | ||||
| 232 | T | 33 | Very low | 35 | Very low | 155 Ų | 155 | 134.3 Ų | 134.3 | 95% | 0.951 | 80% | 0.803 | S | S | * | * | -168.5 | 176.1 | 127.9 | 34.7 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 233 | K | 33.7 | Very low | 34.9 | Very low | 201 Ų | 201 | 135.9 Ų | 135.9 | 87% | 0.874 | 81% | 0.808 | S | S | * | * | trans | -114.6 | 152.7 | -145.2 | 167.9 | -177.3 | 177.3 | 179.2 | 0 | 111.6 | ||||
| 234 | A | 30.2 | Very low | 34.4 | Very low | 92 Ų | 92 | 139.7 Ų | 139.7 | 76% | 0.76 | 81% | 0.808 | S | S | * | * | trans | 85.5 | 141.7 | 150.8 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 235 | A | 34.1 | Very low | 34.1 | Very low | 91 Ų | 91 | 139.6 Ų | 139.6 | 75% | 0.752 | 81% | 0.807 | S | S | * | * | trans | 90.5 | 95.9 | 145.5 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 236 | D | 32.5 | Very low | 33.6 | Very low | 143 Ų | 143 | 139.7 Ų | 139.7 | 77% | 0.765 | 81% | 0.808 | S | S | * | * | 27.8 | 120.8 | 115.5 | -97.1 | -48 | 0 | 0 | 0 | 120.5 | |||||
| 237 | M | 34.5 | Very low | 33.4 | Very low | 152 Ų | 152 | 140.8 Ų | 140.8 | 75% | 0.749 | 80% | 0.802 | S | S | * | * | 152.4 | 126.3 | 119.8 | -78.2 | -80.4 | 79.6 | 0 | 0 | 114.9 | |||||
| 238 | C | 33.8 | Very low | 33.4 | Very low | 90 Ų | 90 | 141.6 Ų | 141.6 | 61% | 0.608 | 80% | 0.802 | S | S | * | * | trans | 70.3 | 111.5 | 138.2 | -62.5 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 239 | H | 33.6 | Very low | 33.9 | Very low | 180 Ų | 180 | 140 Ų | 140 | 83% | 0.833 | 80% | 0.8 | S | S | * | * | 40.3 | 117.5 | 127.2 | -55.3 | -67.4 | 0 | 0 | 0 | 122.5 | |||||
| 240 | R | 33.8 | Very low | 34.7 | Very low | 244 Ų | 244 | 137.3 Ų | 137.3 | 92% | 0.921 | 79% | 0.793 | S | S | * | * | 163.7 | 159.3 | 97.3 | -112.4 | -167.5 | 168 | 172.4 | -3 | 111.5 | |||||
| 241 | P | 42 | Very low | 34.8 | Very low | 116 Ų | 116 | 138.1 Ų | 138.1 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | trans | -97.9 | 154.7 | -163.9 | 38.5 | -33.3 | 0 | 0 | 0 | 113.7 | ||||
| 242 | L | 35.4 | Very low | 34.9 | Very low | 168 Ų | 168 | 140.5 Ų | 140.5 | 88% | 0.88 | 80% | 0.797 | S | S | * | * | trans | -124.6 | 116.4 | 169.3 | -112 | 162.1 | 0 | 0 | 0 | 110.2 | ||||
| 243 | V | 32.1 | Very low | 36 | Very low | 131 Ų | 131 | 138.4 Ų | 138.4 | 79% | 0.794 | 79% | 0.787 | S | S | * | * | trans | -76.7 | 142.3 | 167.6 | -86.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 244 | F | 30.1 | Very low | 35.9 | Very low | 209 Ų | 209 | 137.2 Ų | 137.2 | 92% | 0.917 | 79% | 0.79 | S | S | * | * | trans | -139.6 | 134.6 | 158.4 | -140.9 | -95.7 | 0 | 0 | 0 | 111 | ||||
| 245 | L | 29.7 | Very low | 36 | Very low | 151 Ų | 151 | 135.9 Ų | 135.9 | 79% | 0.791 | 79% | 0.785 | S | S | * | * | trans | -100.2 | 167.9 | -176.4 | -97 | 150 | 0 | 0 | 0 | 110.8 | ||||
| 246 | S | 28.3 | Very low | 36 | Very low | 113 Ų | 113 | 136.2 Ų | 136.2 | 79% | 0.79 | 79% | 0.788 | S | S | * | * | trans | 79.7 | 142.7 | 163.5 | -92.1 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 247 | S | 30.1 | Very low | 36.9 | Very low | 107 Ų | 107 | 135.5 Ų | 135.5 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | cis | -173.2 | 146.4 | 10.8 | 35 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 248 | A | 34.2 | Very low | 36.9 | Very low | 92 Ų | 92 | 132.6 Ų | 132.6 | 76% | 0.76 | 79% | 0.791 | S | S | * | * | trans | -68.2 | 165.6 | 162.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 249 | P | 46.6 | Very low | 36.9 | Very low | 122 Ų | 122 | 133.3 Ų | 133.3 | 79% | 0.792 | 80% | 0.797 | S | S | * | * | -153.1 | -159.8 | 100.1 | 47.1 | -27.4 | 0 | 0 | 0 | 113.2 | |||||
| 250 | P | 53.9 | Low | 37.1 | Very low | 104 Ų | 104 | 131.5 Ų | 131.5 | 68% | 0.675 | 80% | 0.798 | S | S | * | * | -131.6 | -168.1 | -113.3 | 30.8 | -3.8 | 0 | 0 | 0 | 116.1 | |||||
| 251 | T | 32.3 | Very low | 38 | Very low | 127 Ų | 127 | 124.7 Ų | 124.7 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | trans | 80.6 | 142.2 | 159.8 | 67.7 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 252 | L | 38.8 | Very low | 37.7 | Very low | 162 Ų | 162 | 129.9 Ų | 129.9 | 85% | 0.848 | 79% | 0.792 | S | S | * | * | cis | -166.4 | 173.8 | -1 | -102.6 | 168.2 | 0 | 0 | 0 | 107.4 | ||||
| 253 | P | 55.9 | Low | 38.4 | Very low | 112 Ų | 112 | 127.2 Ų | 127.2 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | trans | -106.9 | 159.8 | -160.7 | 40.6 | -34.2 | 0 | 0 | 0 | 115.4 | ||||
| 254 | N | 32.1 | Very low | 38.9 | Very low | 176 Ų | 176 | 129.7 Ų | 129.7 | 94% | 0.941 | 79% | 0.787 | S | S | * | * | trans | -173.8 | 142.3 | 159 | -144.3 | 8.5 | 0 | 0 | 0 | 107.5 | ||||
| 255 | G | 31.6 | Very low | 39.2 | Very low | 64 Ų | 64 | 125.9 Ų | 125.9 | 66% | 0.66 | 78% | 0.783 | S | S | * | * | cis | 173.9 | 139.1 | 4.2 | 0 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 256 | A | 35.9 | Very low | 39.6 | Very low | 98 Ų | 98 | 126.9 Ų | 126.9 | 81% | 0.81 | 79% | 0.789 | S | S | * | * | trans | -73.1 | 161.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 257 | P | 50.7 | Low | 40.3 | Very low | 127 Ų | 127 | 126 Ų | 126 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | -149 | 159.1 | 88.4 | 34.3 | -14.2 | 0 | 0 | 0 | 117.5 | |||||
| 258 | A | 33.6 | Very low | 41.3 | Very low | 91 Ų | 91 | 126.6 Ų | 126.6 | 75% | 0.752 | 78% | 0.784 | S | S | * | * | trans | -0.6 | 140.9 | 154.5 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 259 | S | 34.4 | Very low | 41.5 | Very low | 106 Ų | 106 | 130.4 Ų | 130.4 | 74% | 0.741 | 79% | 0.786 | S | S | * | * | 166.7 | 116.4 | 96.5 | 62.1 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 260 | V | 37 | Very low | 41.3 | Very low | 141 Ų | 141 | 128.5 Ų | 128.5 | 86% | 0.855 | 79% | 0.789 | S | S | * | * | trans | 73 | 141.8 | 132.3 | -170.8 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 261 | P | 53.4 | Low | 40.4 | Very low | 102 Ų | 102 | 133.7 Ų | 133.7 | 66% | 0.662 | 80% | 0.795 | S | S | * | * | trans | -114.9 | 164.4 | -155.9 | 41 | -27.3 | 0 | 0 | 0 | 114.7 | ||||
| 262 | Y | 34.8 | Very low | 40.9 | Very low | 225 Ų | 225 | 136 Ų | 136 | 88% | 0.882 | 80% | 0.802 | S | S | * | * | trans | -175.5 | 163.8 | 160.2 | -107.9 | -65.2 | 0 | 0 | 0 | 111.7 | ||||
| 263 | P | 52.1 | Low | 41.1 | Very low | 111 Ų | 111 | 134.7 Ų | 134.7 | 72% | 0.721 | 79% | 0.791 | S | S | * | * | -120.4 | 176.4 | -89.1 | 43 | -30.9 | 0 | 0 | 0 | 115.8 | |||||
| 264 | Q | 42.3 | Very low | 40.7 | Very low | 183 Ų | 183 | 138.3 Ų | 138.3 | 86% | 0.855 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 153 | 167.1 | -65.6 | 179.8 | -64 | 0 | 0 | 113.9 | ||
| 265 | P | 36.6 | Very low | 41.1 | Very low | 129 Ų | 129 | 137.4 Ų | 137.4 | 84% | 0.838 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -101.9 | 138.7 | 156.4 | 32.8 | -25.6 | 0 | 0 | 0 | 113.3 | ||
| 266 | L | 37.8 | Very low | 41.6 | Very low | 172 Ų | 172 | 142.6 Ų | 142.6 | 90% | 0.901 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 154.5 | 177.7 | -74.7 | 113.3 | 0 | 0 | 0 | 113.8 | ||
| 267 | S | 43.4 | Very low | 41.8 | Very low | 96 Ų | 96 | 146.2 Ų | 146.2 | 67% | 0.671 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 152.2 | 166 | -168.3 | 0 | 0 | 0 | 0 | 113.2 | ||
| 268 | P | 50.9 | Low | 41.4 | Very low | 119 Ų | 119 | 147.3 Ų | 147.3 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -101.2 | 123.6 | 163.3 | 33 | -23.2 | 0 | 0 | 0 | 111.9 | ||
| 269 | Q | 37.9 | Very low | 41.7 | Very low | 171 Ų | 171 | 151.8 Ų | 151.8 | 80% | 0.799 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -66 | 152.5 | 166.5 | -109.1 | 70.1 | 0.3 | 0 | 0 | 111.9 | ||
| 270 | G | 43 | Very low | 42 | Very low | 82 Ų | 82 | 154.9 Ų | 154.9 | 85% | 0.845 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 154.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 271 | R | 34 | Very low | 42.6 | Very low | 213 Ų | 213 | 156.6 Ų | 156.6 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | trans | -134.9 | 110.4 | 169.9 | -173.5 | 177 | -113.6 | -147.3 | 2.8 | 108.7 | H273 | R271-H273 WeakPolarHBondContact CD-NE2 3.5Š| ||
| 272 | L | 42.8 | Very low | 42.3 | Very low | 177 Ų | 177 | 156.6 Ų | 156.6 | 93% | 0.927 | 79% | 0.794 | S | S | * | * | trans | -73.1 | 124.3 | 173 | -68.2 | 165.6 | 0 | 0 | 0 | 109.3 | ||||
| 273 | H | 42.1 | Very low | 42.9 | Very low | 133 Ų | 133 | 154.6 Ų | 154.6 | 62% | 0.616 | 79% | 0.792 | S | S | * | * | trans | -118.5 | 114 | 165.4 | -83.8 | -81.2 | 0 | 0 | 0 | 109.3 | R271 | R271-H273 WeakPolarHBondContact CD-NE2 3.5Š| ||
| 274 | H | 48.7 | Very low | 42.7 | Very low | 188 Ų | 188 | 157.4 Ų | 157.4 | 87% | 0.87 | 80% | 0.795 | S | S | * | * | trans | -71.9 | 118.9 | 168.2 | -122.2 | 67.8 | 0 | 0 | 0 | 108.4 | ||||
| 275 | H | 40.8 | Very low | 43.1 | Very low | 157 Ų | 157 | 154.3 Ų | 154.3 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | trans | -119.9 | 112.3 | 165.2 | -83.1 | -53.6 | 0 | 0 | 0 | 110.6 | ||||
| 276 | Q | 40.8 | Very low | 44.1 | Very low | 173 Ų | 173 | 156.3 Ų | 156.3 | 81% | 0.808 | 79% | 0.791 | S | S | * | * | trans | -75.8 | 111.9 | 174.2 | -169.7 | 165.4 | 12.4 | 0 | 0 | 108.3 | ||||
| 277 | H | 40.1 | Very low | 44.6 | Very low | 174 Ų | 174 | 157.1 Ų | 157.1 | 81% | 0.806 | 79% | 0.79 | S | S | * | * | trans | -86.5 | 112 | 176.3 | -81.5 | -73.1 | 0 | 0 | 0 | 110.4 | ||||
| 278 | H | 42.2 | Very low | 44.4 | Very low | 151 Ų | 151 | 156.4 Ų | 156.4 | 70% | 0.699 | 79% | 0.79 | S | S | * | * | trans | -75.6 | 125.7 | 163.1 | -83.6 | 4.2 | 0 | 0 | 0 | 110.1 | ||||
| 279 | H | 41.2 | Very low | 44 | Very low | 184 Ų | 184 | 157.6 Ų | 157.6 | 85% | 0.852 | 79% | 0.79 | S | S | * | * | trans | -82 | 111.1 | 167.1 | -84 | -42.2 | 0 | 0 | 0 | 110 | ||||
| 280 | H | 41 | Very low | 44.3 | Very low | 171 Ų | 171 | 157.4 Ų | 157.4 | 79% | 0.792 | 79% | 0.788 | S | S | * | * | trans | -115.2 | 113.9 | 159.8 | -80.3 | -47.3 | 0 | 0 | 0 | 109.5 | ||||
| 281 | H | 47.9 | Very low | 44.3 | Very low | 178 Ų | 178 | 161.4 Ų | 161.4 | 82% | 0.824 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -71 | 134 | 162.9 | -82.8 | -64.6 | 0 | 0 | 0 | 110.1 | ||
| 282 | P | 47.2 | Very low | 44.7 | Very low | 102 Ų | 102 | 159.9 Ų | 159.9 | 66% | 0.662 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -102.2 | 120.1 | 149.9 | 21.3 | -4.8 | 0 | 0 | 0 | 109.6 | ||
| 283 | H | 48.3 | Very low | 44.7 | Very low | 183 Ų | 183 | 158.8 Ų | 158.8 | 85% | 0.847 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 128.1 | 162.1 | -77.2 | -92.8 | 0 | 0 | 0 | 109.6 | ||
| 284 | H | 46.7 | Very low | 44.8 | Very low | 170 Ų | 170 | 160.8 Ų | 160.8 | 79% | 0.787 | 79% | 0.786 | S | S | * | * | trans | -105.3 | 136.9 | 164.1 | -79.7 | -76.8 | 0 | 0 | 0 | 110.4 | ||||
| 285 | P | 52.1 | Low | 44.4 | Very low | 118 Ų | 118 | 158.2 Ų | 158.2 | 77% | 0.766 | 77% | 0.774 | S | S | * | * | trans | -79.6 | 152.8 | -180 | 32.3 | -31.8 | 0 | 0 | 0 | 111.6 | H287 | P285-H287 PolarHBondContact O-N 3.17Š| ||
| 286 | M | 56.7 | Low | 44.5 | Very low | 170 Ų | 170 | 155.7 Ų | 155.7 | 84% | 0.837 | 77% | 0.774 | S | S | * | * | trans | -51.8 | 129 | 163.5 | -66.9 | -76.2 | 174 | 0 | 0 | 109.8 | ||||
| 287 | H | 48.9 | Very low | 44.3 | Very low | 189 Ų | 189 | 154.6 Ų | 154.6 | 88% | 0.875 | 77% | 0.769 | S | S | * | * | 167.4 | 145.3 | 129.7 | -92.6 | -75.7 | 0 | 0 | 0 | 112.7 | P285 | P285-H287 PolarHBondContact O-N 3.17Š| |||
| 288 | A | 39.6 | Very low | 44.3 | Very low | 81 Ų | 81 | 152.8 Ų | 152.8 | 67% | 0.669 | 77% | 0.77 | S | S | * | * | trans | 82.8 | 94.5 | 159.6 | 0 | 0 | 0 | 0 | 0 | 118.4 | H290 | A288-H290 PolarHBondContact O-N 2.72Š| ||
| 289 | N | 42.9 | Very low | 44.5 | Very low | 144 Ų | 144 | 152.2 Ų | 152.2 | 77% | 0.77 | 77% | 0.772 | S | S | * | * | trans | -42.5 | 104.2 | 145.8 | -89.3 | -1 | 0 | 0 | 0 | 110.4 | ||||
| 290 | H | 42.7 | Very low | 44.6 | Very low | 167 Ų | 167 | 150.4 Ų | 150.4 | 77% | 0.773 | 76% | 0.764 | S | S | * | * | trans | -108 | 98.9 | 150.5 | -92.7 | 44.4 | 0 | 0 | 0 | 106.7 | A288 H292 | A288-H290 PolarHBondContact O-N 2.72Å; H290-H292 VanDerWaalsContact C-N 3.27Å; H290-H292 PolarHBondContact O-N 2.9Å | ||
| 291 | H | 43 | Very low | 45 | Very low | 167 Ų | 167 | 146.4 Ų | 146.4 | 77% | 0.773 | 75% | 0.753 | S | S | * | * | trans | -63.8 | 91.5 | 164.6 | -80.4 | -63.8 | 0 | 0 | 0 | 108.5 | H293 | H291-H293 PolarHBondContact O-N 2.86Š| ||
| 292 | H | 42.3 | Very low | 44.7 | Very low | 181 Ų | 181 | 142.9 Ų | 142.9 | 84% | 0.838 | 75% | 0.747 | S | S | * | * | trans | -70.3 | 90.9 | 151.3 | -97.7 | 1.8 | 0 | 0 | 0 | 107.4 | H290 H294 | H290-H292 VanDerWaalsContact C-N 3.27Å; H290-H292 PolarHBondContact O-N 2.9Å; H292-H294 PolarHBondContact O-N 2.95Å | ||
| 293 | H | 42.7 | Very low | 44.9 | Very low | 153 Ų | 153 | 140.3 Ų | 140.3 | 71% | 0.708 | 74% | 0.739 | S | S | * | * | trans | -59.4 | 83.3 | 157.6 | -169 | 73 | 0 | 0 | 0 | 107.2 | H291 Q295 | H291-H293 PolarHBondContact O-N 2.86Å; H293-Q295 PolarHBondContact O-N 3.27Å | ||
| 294 | H | 43.9 | Very low | 45 | Very low | 176 Ų | 176 | 133 Ų | 133 | 82% | 0.815 | 71% | 0.707 | S | S | * | * | trans | -71.5 | 85 | 156.5 | -143.2 | 42 | 0 | 0 | 0 | 104.8 | H292 S296 | H292-H294 PolarHBondContact O-N 2.95Å; H294-S296 PolarHBondContact O-N 2.97Å | ||
| 295 | Q | 41.7 | Very low | 45.3 | Very low | 134 Ų | 134 | 128.3 Ų | 128.3 | 63% | 0.626 | 69% | 0.688 | S | S | * | * | trans | -48.7 | 95.1 | 159.3 | -170.2 | 173.9 | 49 | 0 | 0 | 105 | H293 Q297 | H293-Q295 PolarHBondContact O-N 3.27Å; Q295-Q297 PolarHBondContact O-N 2.69Å | ||
| 296 | S | 42.1 | Very low | 45.7 | Very low | 104 Ų | 104 | 130.6 Ų | 130.6 | 73% | 0.727 | 69% | 0.688 | S | S | * | * | trans | -54.8 | 95.1 | 159.8 | -68.5 | 0 | 0 | 0 | 0 | 103.7 | H294 V298 | H294-S296 PolarHBondContact O-N 2.97Å; S296-V298 PolarHBondContact O-N 2.79Å | ||
| 297 | Q | 37.5 | Very low | 46.4 | Very low | 150 Ų | 150 | 131 Ų | 131 | 70% | 0.701 | 68% | 0.681 | S | S | * | * | trans | -46.3 | 118.2 | 171.6 | -78.4 | -179.9 | 2.4 | 0 | 0 | 104.2 | Q295 N299 | Q295-Q297 PolarHBondContact O-N 2.69Å; Q297-N299 PolarHBondContact O-N 2.66Å | ||
| 298 | V | 40.7 | Very low | 48.1 | Very low | 135 Ų | 135 | 123 Ų | 123 | 82% | 0.818 | 64% | 0.643 | S | S | * | * | trans | -53.5 | 85 | 152.7 | 178.7 | 0 | 0 | 0 | 0 | 103.4 | S296 Q300 | S296-V298 PolarHBondContact O-N 2.79Å; V298-Q300 PolarHBondContact O-N 2.92Å | ||
| 299 | N | 45.9 | Very low | 50.7 | Low | 139 Ų | 139 | 121.6 Ų | 121.6 | 74% | 0.743 | 63% | 0.629 | S | S | * | * | trans | -70.2 | 91.9 | 173.5 | -150.5 | 15.6 | 0 | 0 | 0 | 101.3 | Q297 | Q297-N299 PolarHBondContact O-N 2.66Š| ||
| 300 | Q | 42.7 | Very low | 53.2 | Low | 146 Ų | 146 | 117.7 Ų | 117.7 | 68% | 0.682 | 61% | 0.608 | S | S | * | * | trans | -39.3 | 131.2 | 169.3 | -74.3 | -167.9 | 51.3 | 0 | 0 | 106.7 | V298 C302 | V298-Q300 PolarHBondContact O-N 2.92Å; Q300-C302 PolarHBondContact O-N 2.71Å | ||
| 301 | P | 50.4 | Low | 55.8 | Low | 88 Ų | 88 | 116.2 Ų | 116.2 | 57% | 0.571 | 60% | 0.601 | S | S | * | * | trans | -70.4 | 77.6 | 168.9 | 29.7 | -30 | 0 | 0 | 0 | 106.7 | G303 N305 | P301-G303 PolarHBondContact O-N 2.78Å; P301-N305 WeakPolarHBondContact CB-ND2 3.35Å | ||
| 302 | C | 41.1 | Very low | 58.3 | Low | 104 Ų | 104 | 113.3 Ų | 113.3 | 70% | 0.703 | 59% | 0.588 | S | S | * | * | trans | -66.8 | 102.1 | 175.9 | -139.5 | 0 | 0 | 0 | 0 | 106.5 | Q300 V304 | Q300-C302 PolarHBondContact O-N 2.71Å; C302-V304 VanDerWaalsContact C-N 3.27Å; C302-V304 WeakPolarHBondContact O-CG1 3.33Å; C302-V304 PolarHBondContact O-N 2.87Å | ||
| 303 | G | 50.2 | Low | 60.9 | Low | 48 Ų | 48 | 104.8 Ų | 104.8 | 50% | 0.495 | 55% | 0.548 | S | S | . | . | S | Bend | trans | 67.3 | -7.4 | 159.7 | 0 | 0 | 0 | 0 | 0 | 119.8 | P301 | P301-G303 PolarHBondContact O-N 2.78Š|
| 304 | V | 51.3 | Low | 63.5 | Low | 28 Ų | 28 | 99.9 Ų | 99.9 | 17% | 0.17 | 53% | 0.529 | C | S | . | . | S | Bend | trans | -96.1 | -17.2 | -168.3 | -65.5 | 0 | 0 | 0 | 0 | 114.6 | C302 E332 R335 | C302-V304 VanDerWaalsContact C-N 3.27Å; C302-V304 WeakPolarHBondContact O-CG1 3.33Å; C302-V304 PolarHBondContact O-N 2.87Å; V304-E332 HydrophobicContact CG1-CG 4.28Å; V304-R335 VanDerWaalsContact CG2-NH1 3.28Å; V304-R335 VanDerWaalsContact CG2-NH2 3.32Å |
| 305 | N | 53.1 | Low | 66 | Low | 72 Ų | 72 | 95.8 Ų | 95.8 | 39% | 0.385 | 52% | 0.521 | S | S | . | . | S | Bend | trans | -86.4 | -15.8 | 171.7 | -76.8 | -42.3 | 0 | 0 | 0 | 112.3 | P301 R307 K339 | P301-N305 WeakPolarHBondContact CB-ND2 3.35Å; N305-R307 VanDerWaalsContact C-N 3.35Å; N305-R307 PolarHBondContact O-N 2.93Å; N305-K339 PolarHBondContact OD1-NZ 3.47Å |
| 306 | E | 60.7 | Low | 68.7 | Low | 166 Ų | 166 | 90.6 Ų | 90.6 | 78% | 0.776 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -70.5 | -28.2 | -179.6 | -117.9 | 86.6 | -154.8 | 0 | 0 | 113.1 | ||
| 307 | R | 71 | Confident | 71.3 | Confident | 180 Ų | 180 | 88.6 Ų | 88.6 | 68% | 0.679 | 48% | 0.483 | S | S | * | . | S | Bend | trans | -74.7 | -27.1 | -173.8 | -77.2 | -149.2 | -169.3 | -128.9 | 6.8 | 114.5 | N305 | N305-R307 VanDerWaalsContact C-N 3.35Å; N305-R307 PolarHBondContact O-N 2.93Å |
| 308 | F | 85 | Confident | 74.2 | Confident | 20 Ų | 20 | 86.2 Ų | 86.2 | 9% | 0.088 | 48% | 0.478 | C | S | . | . | trans | -145.3 | 131.1 | 179.3 | -55.3 | -79.7 | 0 | 0 | 0 | 109.8 | L313 L316 H324 L336 | F308-L313 HydrophobicContact CB-CB 4.2Å; F308-L316 HydrophobicContact CD1-CD1 3.94Å; F308-L316 HydrophobicContact CE1-CD1 3.63Å; F308-L316 HydrophobicContact CZ-CD1 4.47Å; F308-H324 HydrophobicContact CE1-CB 4.12Å; F308-H324 HydrophobicContact CZ-CB 3.59Å; F308-L336 HydrophobicContact CD2-CD2 3.64Å; F308-L336 HydrophobicContact CE2-CD2 3.98Å | ||
| 309 | S | 94.4 | Very high | 76.9 | Confident | 51 Ų | 51 | 90.3 Ų | 90.3 | 36% | 0.357 | 48% | 0.479 | S | S | . | . | trans | -68 | 159.1 | 161.7 | 107.9 | 0 | 0 | 0 | 0 | 110.1 | E311 Q312 L313 | S309-E311 WeakPolarHBondContact CB-OE2 3.39Å; S309-E311 PolarHBondContact O-N 3.38Å; S309-E311 PolarHBondContact OG-N 2.79Å; S309-E311 PolarHBondContact OG-OE2 2.93Å; S309-Q312 PolarHBondContact O-N 3.14Å; S309-Q312 PolarHBondContact OG-N 3.09Å; S309-L313 WeakPolarHBondContact O-CB 3.27Å; S309-L313 PolarHBondContact O-N 3Å | ||
| 310 | D | 95.6 | Very high | 79.3 | Confident | 62 Ų | 62 | 86.8 Ų | 86.8 | 33% | 0.332 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -59.2 | -39.2 | -179.7 | -75.3 | 2.6 | 0 | 0 | 0 | 111.5 | L313 V314 K339 L343 | D310-L313 PolarHBondContact O-N 3.3Å; D310-V314 WeakPolarHBondContact O-CG2 3.42Å; D310-V314 PolarHBondContact O-N 2.9Å; D310-V314 VanDerWaalsContact O-N 3.07Å; D310-K339 WeakPolarHBondContact OD1-CE 3.49Å; D310-K339 IonicContact OD1-NZ 3.2Å; D310-K339 PolarHBondContact OD1-NZ 2.94Å; D310-L343 HydrophobicContact CB-CD1 3.72Å; D310-L343 HydrophobicContact CB-CD2 4.15Å |
| 311 | E | 95.7 | Very high | 81.8 | Confident | 136 Ų | 136 | 80.2 Ų | 80.2 | 64% | 0.636 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -64.7 | -45.2 | 177.8 | -60.5 | 70.5 | -153.6 | 0 | 0 | 111.3 | S309 S315 | S309-E311 WeakPolarHBondContact CB-OE2 3.39Å; S309-E311 PolarHBondContact O-N 3.38Å; S309-E311 PolarHBondContact OG-N 2.79Å; S309-E311 PolarHBondContact OG-OE2 2.93Å; E311-S315 WeakPolarHBondContact O-CB 3.27Å; E311-S315 PolarHBondContact O-N 3.07Å; E311-S315 VanDerWaalsContact O-N 3.14Å; E311-S315 PolarHBondContact O-OG 2.89Å |
| 312 | Q | 96.8 | Very high | 84 | Confident | 107 Ų | 107 | 79.6 Ų | 79.6 | 50% | 0.5 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -62.8 | -48.3 | 174.9 | -73.3 | -177.3 | -36.7 | 0 | 0 | 110.6 | S309 V314 S315 L316 | S309-Q312 PolarHBondContact O-N 3.14Å; S309-Q312 PolarHBondContact OG-N 3.09Å; Q312-V314 VanDerWaalsContact C-N 3.27Å; Q312-V314 PolarHBondContact O-N 3.24Å; Q312-S315 WeakPolarHBondContact CA-OG 3.29Å; Q312-S315 PolarHBondContact O-N 3.4Å; Q312-S315 VanDerWaalsContact O-N 3.09Å; Q312-S315 PolarHBondContact O-OG 3.24Å; Q312-L316 WeakPolarHBondContact O-CG 3.42Å; Q312-L316 PolarHBondContact O-N 3.46Å |
| 313 | L | 96.3 | Very high | 86.6 | Confident | 1 Ų | 1 | 81.1 Ų | 81.1 | 1% | 0.005 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -59.5 | -37.9 | -177.2 | -177 | 60.1 | 0 | 0 | 0 | 112.8 | F308 S309 D310 L321 L336 K339 R340 L343 | F308-L313 HydrophobicContact CB-CB 4.2Å; S309-L313 WeakPolarHBondContact O-CB 3.27Å; S309-L313 PolarHBondContact O-N 3Å; D310-L313 PolarHBondContact O-N 3.3Å; L313-L321 HydrophobicContact CD1-CD1 3.87Å; L313-L336 HydrophobicContact CD1-CD2 3.69Å; L313-L336 HydrophobicContact CD2-CD2 4.04Å; L313-K339 HydrophobicContact CD2-CB 4.19Å; L313-K339 HydrophobicContact CD2-CD 3.88Å; L313-K339 HydrophobicContact CD2-CG 3.96Å; L313-R340 HydrophobicContact CD1-CB 4.28Å; L313-R340 HydrophobicContact CD2-CB 4.17Å; L313-R340 HydrophobicContact CG-CB 3.95Å; L313-R340 HydrophobicContact CG-CG 4.28Å; L313-R340 VanDerWaalsContact O-CD 3.27Å; L313-R340 WeakPolarHBondContact O-CD 3.37Å; L313-R340 PolarHBondContact O-NE 3.37Å; L313-R340 VanDerWaalsContact O-NE 3.13Å; L313-L343 HydrophobicContact CD2-CD1 4.25Å |
| 314 | V | 97.4 | Very high | 88.6 | Confident | 51 Ų | 51 | 82.7 Ų | 82.7 | 31% | 0.309 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -69.5 | -42.8 | 176.3 | 171.9 | 0 | 0 | 0 | 0 | 111.6 | D310 Q312 R340 L343 K344 | D310-V314 WeakPolarHBondContact O-CG2 3.42Å; D310-V314 PolarHBondContact O-N 2.9Å; D310-V314 VanDerWaalsContact O-N 3.07Å; Q312-V314 VanDerWaalsContact C-N 3.27Å; Q312-V314 PolarHBondContact O-N 3.24Å; V314-R340 PolarHBondContact O-NH2 3.05Å; V314-L343 HydrophobicContact CG2-CB 3.36Å; V314-L343 HydrophobicContact CG2-CD1 4Å; V314-L343 HydrophobicContact CG2-CG 4.3Å; V314-K344 HydrophobicContact CG1-CG 4.08Å |
| 315 | S | 97.4 | Very high | 90.7 | Very high | 90 Ų | 90 | 82 Ų | 82 | 63% | 0.629 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -77.3 | -31.1 | -172.6 | 56 | 0 | 0 | 0 | 0 | 114.7 | E311 Q312 S317 | E311-S315 WeakPolarHBondContact O-CB 3.27Å; E311-S315 PolarHBondContact O-N 3.07Å; E311-S315 VanDerWaalsContact O-N 3.14Å; E311-S315 PolarHBondContact O-OG 2.89Å; Q312-S315 WeakPolarHBondContact CA-OG 3.29Å; Q312-S315 PolarHBondContact O-N 3.4Å; Q312-S315 VanDerWaalsContact O-N 3.09Å; Q312-S315 PolarHBondContact O-OG 3.24Å; S315-S317 PolarHBondContact O-N 3.34Å |
| 316 | L | 97.4 | Very high | 92.6 | Very high | 25 Ų | 25 | 88.5 Ų | 88.5 | 13% | 0.131 | 42% | 0.419 | C | S | . | . | S | Bend | trans | -53.1 | 135.3 | 179.2 | -72.8 | -171.5 | 0 | 0 | 0 | 112 | F308 Q312 E320 L321 R340 | F308-L316 HydrophobicContact CD1-CD1 3.94Å; F308-L316 HydrophobicContact CE1-CD1 3.63Å; F308-L316 HydrophobicContact CZ-CD1 4.47Å; Q312-L316 WeakPolarHBondContact O-CG 3.42Å; Q312-L316 PolarHBondContact O-N 3.46Å; L316-E320 HydrophobicContact CD2-CG 3.77Å; L316-E320 HydrophobicContact CG-CG 4.48Å; L316-L321 HydrophobicContact CB-CB 4.4Å; L316-L321 HydrophobicContact CD1-CD1 4.35Å; L316-R340 PolarHBondContact O-NH1 2.89Å; L316-R340 PolarHBondContact O-NH2 2.94Å |
| 317 | S | 97.5 | Very high | 94.1 | Very high | 62 Ų | 62 | 85 Ų | 85 | 43% | 0.434 | 43% | 0.427 | S | S | . | . | trans | -62.3 | 164.7 | 171.6 | 73.3 | 0 | 0 | 0 | 0 | 111.7 | S315 R319 E320 L321 | S315-S317 PolarHBondContact O-N 3.34Å; S317-R319 VanDerWaalsContact C-N 3.31Å; S317-R319 PolarHBondContact O-N 3.39Å; S317-E320 PolarHBondContact O-N 2.84Å; S317-E320 VanDerWaalsContact OG-CB 3.22Å; S317-E320 WeakPolarHBondContact OG-CB 3.41Å; S317-E320 PolarHBondContact OG-N 3.3Å; S317-E320 VanDerWaalsContact OG-N 3.13Å; S317-L321 WeakPolarHBondContact O-CB 3.33Å; S317-L321 PolarHBondContact O-N 3.16Å | ||
| 318 | V | 97.3 | Very high | 95.1 | Very high | 100 Ų | 100 | 77.9 Ų | 77.9 | 61% | 0.606 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -61.4 | -42 | 176 | 178.2 | 0 | 0 | 0 | 0 | 110.9 | E320 N322 | V318-E320 VanDerWaalsContact C-N 3.35Å; V318-E320 PolarHBondContact O-N 2.89Å; V318-N322 WeakPolarHBondContact O-CB 3.35Å; V318-N322 VanDerWaalsContact O-CG 3.25Å; V318-N322 PolarHBondContact O-N 3.35Å; V318-N322 PolarHBondContact O-ND2 3.26Å |
| 319 | R | 97.7 | Very high | 95.6 | Very high | 221 Ų | 221 | 80 Ų | 80 | 83% | 0.834 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -62.2 | -44.1 | 178.6 | -64.9 | 179.2 | 82.7 | -179.2 | 5.5 | 111.2 | S317 N322 R323 | S317-R319 VanDerWaalsContact C-N 3.31Å; S317-R319 PolarHBondContact O-N 3.39Å; R319-N322 PolarHBondContact O-N 3.4Å; R319-R323 PolarHBondContact O-N 2.64Å |
| 320 | E | 96.8 | Very high | 95.7 | Very high | 64 Ų | 64 | 85.7 Ų | 85.7 | 30% | 0.299 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -70.3 | -43.3 | -179.4 | -178.4 | 154.1 | -129.6 | 0 | 0 | 112.9 | L316 S317 V318 N322 R323 H324 | L316-E320 HydrophobicContact CD2-CG 3.77Å; L316-E320 HydrophobicContact CG-CG 4.48Å; S317-E320 PolarHBondContact O-N 2.84Å; S317-E320 VanDerWaalsContact OG-CB 3.22Å; S317-E320 WeakPolarHBondContact OG-CB 3.41Å; S317-E320 PolarHBondContact OG-N 3.3Å; S317-E320 VanDerWaalsContact OG-N 3.13Å; V318-E320 VanDerWaalsContact C-N 3.35Å; V318-E320 PolarHBondContact O-N 2.89Å; E320-N322 VanDerWaalsContact C-N 3.32Å; E320-N322 PolarHBondContact O-N 3.09Å; E320-R323 WeakPolarHBondContact O-CB 3.36Å; E320-R323 PolarHBondContact O-N 3.2Å; E320-R323 VanDerWaalsContact O-N 3.17Å; E320-R323 IonicContact OE1-CZ 3.92Å; E320-R323 IonicContact OE1-NH2 2.78Å; E320-R323 PolarHBondContact OE1-NH2 2.98Å; E320-H324 PolarHBondContact O-N 3.2Å; E320-H324 VanDerWaalsContact O-N 3.15Å; E320-H324 PolarHBondContact O-ND1 3.49Å |
| 321 | L | 95.6 | Very high | 95.7 | Very high | 8 Ų | 8 | 88.6 Ų | 88.6 | 4% | 0.042 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -57.5 | -48.7 | 172.3 | 178.3 | 62.6 | 0 | 0 | 0 | 110.2 | L313 L316 S317 R323 H324 L325 R340 | L313-L321 HydrophobicContact CD1-CD1 3.87Å; L316-L321 HydrophobicContact CB-CB 4.4Å; L316-L321 HydrophobicContact CD1-CD1 4.35Å; S317-L321 WeakPolarHBondContact O-CB 3.33Å; S317-L321 PolarHBondContact O-N 3.16Å; L321-R323 PolarHBondContact O-N 3.01Å; L321-H324 PolarHBondContact O-N 2.6Å; L321-H324 VanDerWaalsContact O-N 3.08Å; L321-L325 HydrophobicContact CD1-CD1 4.13Å; L321-L325 HydrophobicContact CD1-CD2 4.38Å; L321-L325 HydrophobicContact CD1-CG 4.09Å; L321-L325 HydrophobicContact CD2-CD1 4.37Å; L321-L325 HydrophobicContact CG-CD1 3.79Å; L321-L325 HydrophobicContact CG-CG 4.18Å; L321-L325 VanDerWaalsContact O-CG 3.25Å; L321-L325 WeakPolarHBondContact O-CG 3.34Å; L321-L325 PolarHBondContact O-N 3.34Å; L321-R340 VanDerWaalsContact CD2-NH1 3.32Å |
| 322 | N | 96 | Very high | 95.6 | Very high | 75 Ų | 75 | 84.1 Ų | 84.1 | 40% | 0.401 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -61.2 | -30.8 | 178.8 | -74.5 | -27.1 | 0 | 0 | 0 | 113.3 | V318 R319 E320 L325 | V318-N322 WeakPolarHBondContact O-CB 3.35Å; V318-N322 VanDerWaalsContact O-CG 3.25Å; V318-N322 PolarHBondContact O-N 3.35Å; V318-N322 PolarHBondContact O-ND2 3.26Å; R319-N322 PolarHBondContact O-N 3.4Å; E320-N322 VanDerWaalsContact C-N 3.32Å; E320-N322 PolarHBondContact O-N 3.09Å; N322-L325 PolarHBondContact O-N 3.38Å |
| 323 | R | 95.6 | Very high | 95.5 | Very high | 137 Ų | 137 | 80.3 Ų | 80.3 | 52% | 0.517 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -64.4 | -46.2 | 173 | -176.1 | 173.6 | 66.5 | -115.4 | 3.5 | 111.3 | R319 E320 L321 L325 R326 | R319-R323 PolarHBondContact O-N 2.64Å; E320-R323 WeakPolarHBondContact O-CB 3.36Å; E320-R323 PolarHBondContact O-N 3.2Å; E320-R323 VanDerWaalsContact O-N 3.17Å; E320-R323 IonicContact OE1-CZ 3.92Å; E320-R323 IonicContact OE1-NH2 2.78Å; E320-R323 PolarHBondContact OE1-NH2 2.98Å; L321-R323 PolarHBondContact O-N 3.01Å; R323-L325 VanDerWaalsContact C-N 3.29Å; R323-L325 PolarHBondContact O-N 2.96Å; R323-R326 PolarHBondContact O-N 2.9Å |
| 324 | H | 92.3 | Very high | 95.5 | Very high | 81 Ų | 81 | 84.4 Ų | 84.4 | 38% | 0.375 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -73.1 | -20.4 | 178.7 | -62.6 | 90.3 | 0 | 0 | 0 | 113.7 | F308 E320 L321 R326 | F308-H324 HydrophobicContact CE1-CB 4.12Å; F308-H324 HydrophobicContact CZ-CB 3.59Å; E320-H324 PolarHBondContact O-N 3.2Å; E320-H324 VanDerWaalsContact O-N 3.15Å; E320-H324 PolarHBondContact O-ND1 3.49Å; L321-H324 PolarHBondContact O-N 2.6Å; L321-H324 VanDerWaalsContact O-N 3.08Å; H324-R326 VanDerWaalsContact C-N 3.3Å |
| 325 | L | 94.1 | Very high | 95.4 | Very high | 14 Ų | 14 | 87.1 Ų | 87.1 | 7% | 0.073 | 45% | 0.448 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -3.4 | 175.6 | -67.3 | 177.2 | 0 | 0 | 0 | 113.6 | L321 N322 R323 G327 V328 V333 L336 | L321-L325 HydrophobicContact CD1-CD1 4.13Å; L321-L325 HydrophobicContact CD1-CD2 4.38Å; L321-L325 HydrophobicContact CD1-CG 4.09Å; L321-L325 HydrophobicContact CD2-CD1 4.37Å; L321-L325 HydrophobicContact CG-CD1 3.79Å; L321-L325 HydrophobicContact CG-CG 4.18Å; L321-L325 VanDerWaalsContact O-CG 3.25Å; L321-L325 WeakPolarHBondContact O-CG 3.34Å; L321-L325 PolarHBondContact O-N 3.34Å; N322-L325 PolarHBondContact O-N 3.38Å; R323-L325 VanDerWaalsContact C-N 3.29Å; R323-L325 PolarHBondContact O-N 2.96Å; L325-G327 PolarHBondContact O-N 3.34Å; L325-V328 WeakPolarHBondContact O-CB 3.43Å; L325-V328 PolarHBondContact O-N 3.41Å; L325-V333 HydrophobicContact CB-CG2 4.25Å; L325-V333 HydrophobicContact CD1-CG1 4.16Å; L325-V333 HydrophobicContact CD2-CG2 4.18Å; L325-L336 HydrophobicContact CD2-CB 4.35Å; L325-L336 HydrophobicContact CD2-CD1 3.9Å |
| 326 | R | 94.6 | Very high | 95.3 | Very high | 207 Ų | 207 | 83.2 Ų | 83.2 | 78% | 0.781 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | 130.6 | 175.2 | -68.6 | -175.1 | 179.4 | -95.4 | 3 | 110 | R323 H324 V328 | R323-R326 PolarHBondContact O-N 2.9Å; H324-R326 VanDerWaalsContact C-N 3.3Å; R326-V328 PolarHBondContact O-N 3.38Å |
| 327 | G | 91.4 | Very high | 95.2 | Very high | 92 Ų | 92 | 87.2 Ų | 87.2 | 95% | 0.948 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.1 | 2.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | L325 | L325-G327 PolarHBondContact O-N 3.34Š|
| 328 | V | 92.9 | Very high | 95.2 | Very high | 31 Ų | 31 | 89.8 Ų | 89.8 | 19% | 0.188 | 44% | 0.441 | C | S | . | . | trans | -83.8 | 144.1 | 172.8 | -179.8 | 0 | 0 | 0 | 0 | 109.6 | L325 R326 E332 V333 | L325-V328 WeakPolarHBondContact O-CB 3.43Å; L325-V328 PolarHBondContact O-N 3.41Å; R326-V328 PolarHBondContact O-N 3.38Å; V328-E332 HydrophobicContact CG1-CB 3.66Å; V328-E332 VanDerWaalsContact CG1-CD 3.49Å; V328-E332 HydrophobicContact CG1-CG 3.46Å; V328-E332 VanDerWaalsContact CG1-CG 3.46Å; V328-E332 WeakPolarHBondContact CG1-OE2 3.35Å; V328-V333 HydrophobicContact CB-CG2 4.07Å; V328-V333 HydrophobicContact CG1-CG2 4.01Å | ||
| 329 | S | 95.6 | Very high | 95.2 | Very high | 66 Ų | 66 | 87.5 Ų | 87.5 | 46% | 0.462 | 42% | 0.424 | S | S | . | . | trans | -61.9 | 150.3 | 178.7 | 70.2 | 0 | 0 | 0 | 0 | 112 | D331 E332 V333 | S329-D331 VanDerWaalsContact C-N 3.29Å; S329-D331 PolarHBondContact O-N 2.91Å; S329-E332 PolarHBondContact O-N 3.42Å; S329-E332 VanDerWaalsContact OG-CB 3.22Å; S329-E332 WeakPolarHBondContact OG-CB 3.32Å; S329-E332 PolarHBondContact OG-N 2.91Å; S329-V333 WeakPolarHBondContact O-CG2 3.33Å; S329-V333 PolarHBondContact O-N 3.22Å | ||
| 330 | K | 96.3 | Very high | 95.2 | Very high | 170 Ų | 170 | 78.3 Ų | 78.3 | 74% | 0.739 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -57.3 | -42 | -177.6 | -172.8 | -178.3 | 176.4 | -172.2 | 0 | 112.2 | E332 V333 V334 | K330-E332 VanDerWaalsContact C-N 3.35Å; K330-V333 WeakPolarHBondContact O-CB 3.38Å; K330-V333 PolarHBondContact O-N 3.27Å; K330-V334 WeakPolarHBondContact O-CG2 3.24Å; K330-V334 PolarHBondContact O-N 3.16Å |
| 331 | D | 95.8 | Very high | 95.2 | Very high | 123 Ų | 123 | 83.2 Ų | 83.2 | 66% | 0.658 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -67.4 | -37.8 | -178.7 | -60.8 | -29.4 | 0 | 0 | 0 | 111.8 | S329 V334 R335 | S329-D331 VanDerWaalsContact C-N 3.29Å; S329-D331 PolarHBondContact O-N 2.91Å; D331-V334 PolarHBondContact O-N 3.4Å; D331-R335 PolarHBondContact O-N 2.91Å |
| 332 | E | 93.4 | Very high | 95.3 | Very high | 41 Ų | 41 | 86.7 Ų | 86.7 | 19% | 0.192 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -69.2 | -39.9 | 175.9 | -179.8 | 171.4 | -171.2 | 0 | 0 | 112 | V304 V328 S329 K330 V334 R335 L336 | V304-E332 HydrophobicContact CG1-CG 4.28Å; V328-E332 HydrophobicContact CG1-CB 3.66Å; V328-E332 VanDerWaalsContact CG1-CD 3.49Å; V328-E332 HydrophobicContact CG1-CG 3.46Å; V328-E332 VanDerWaalsContact CG1-CG 3.46Å; V328-E332 WeakPolarHBondContact CG1-OE2 3.35Å; S329-E332 PolarHBondContact O-N 3.42Å; S329-E332 VanDerWaalsContact OG-CB 3.22Å; S329-E332 WeakPolarHBondContact OG-CB 3.32Å; S329-E332 PolarHBondContact OG-N 2.91Å; K330-E332 VanDerWaalsContact C-N 3.35Å; E332-V334 VanDerWaalsContact C-N 3.31Å; E332-V334 PolarHBondContact O-N 3.01Å; E332-R335 PolarHBondContact O-N 3.5Å; E332-L336 HydrophobicContact CG-CD1 3.83Å; E332-L336 WeakPolarHBondContact O-CB 3.34Å; E332-L336 PolarHBondContact O-N 3.29Å |
| 333 | V | 94.7 | Very high | 95.4 | Very high | 27 Ų | 27 | 84.6 Ų | 84.6 | 16% | 0.164 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -57.2 | -45.3 | 171.6 | 169.4 | 0 | 0 | 0 | 0 | 111.1 | L325 V328 S329 K330 L336 K337 | L325-V333 HydrophobicContact CB-CG2 4.25Å; L325-V333 HydrophobicContact CD1-CG1 4.16Å; L325-V333 HydrophobicContact CD2-CG2 4.18Å; V328-V333 HydrophobicContact CB-CG2 4.07Å; V328-V333 HydrophobicContact CG1-CG2 4.01Å; S329-V333 WeakPolarHBondContact O-CG2 3.33Å; S329-V333 PolarHBondContact O-N 3.22Å; K330-V333 WeakPolarHBondContact O-CB 3.38Å; K330-V333 PolarHBondContact O-N 3.27Å; V333-L336 PolarHBondContact O-N 3.17Å; V333-K337 HydrophobicContact CG1-CD 4.07Å; V333-K337 WeakPolarHBondContact O-CB 3.44Å; V333-K337 WeakPolarHBondContact O-CG 2.92Å; V333-K337 PolarHBondContact O-N 3.41Å |
| 334 | V | 95.9 | Very high | 95.6 | Very high | 87 Ų | 87 | 81.6 Ų | 81.6 | 53% | 0.527 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -62.2 | -47.7 | 178.1 | 171.3 | 0 | 0 | 0 | 0 | 110.5 | K330 D331 E332 L336 K337 Q338 | K330-V334 WeakPolarHBondContact O-CG2 3.24Å; K330-V334 PolarHBondContact O-N 3.16Å; D331-V334 PolarHBondContact O-N 3.4Å; E332-V334 VanDerWaalsContact C-N 3.31Å; E332-V334 PolarHBondContact O-N 3.01Å; V334-L336 PolarHBondContact O-N 3.48Å; V334-K337 PolarHBondContact O-N 3.41Å; V334-Q338 WeakPolarHBondContact O-CB 3.34Å; V334-Q338 PolarHBondContact O-N 2.98Å |
| 335 | R | 94.9 | Very high | 95.9 | Very high | 109 Ų | 109 | 81.7 Ų | 81.7 | 41% | 0.411 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -61.3 | -43.3 | 176.9 | -73.8 | -166.2 | -46.1 | 87.8 | 22.1 | 112.8 | V304 D331 E332 Q338 K339 | V304-R335 VanDerWaalsContact CG2-NH1 3.28Å; V304-R335 VanDerWaalsContact CG2-NH2 3.32Å; D331-R335 PolarHBondContact O-N 2.91Å; E332-R335 PolarHBondContact O-N 3.5Å; R335-Q338 PolarHBondContact O-N 3.48Å; R335-K339 VanDerWaalsContact O-CB 3.25Å; R335-K339 WeakPolarHBondContact O-CB 3.48Å; R335-K339 PolarHBondContact O-N 3.04Å |
| 336 | L | 95.4 | Very high | 96.1 | Very high | 8 Ų | 8 | 90.5 Ų | 90.5 | 4% | 0.042 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -63.7 | -42.5 | 178.3 | -93.7 | 144.9 | 0 | 0 | 0 | 112 | F308 L313 L325 E332 V333 V334 K339 R340 | F308-L336 HydrophobicContact CD2-CD2 3.64Å; F308-L336 HydrophobicContact CE2-CD2 3.98Å; L313-L336 HydrophobicContact CD1-CD2 3.69Å; L313-L336 HydrophobicContact CD2-CD2 4.04Å; L325-L336 HydrophobicContact CD2-CB 4.35Å; L325-L336 HydrophobicContact CD2-CD1 3.9Å; E332-L336 HydrophobicContact CG-CD1 3.83Å; E332-L336 WeakPolarHBondContact O-CB 3.34Å; E332-L336 PolarHBondContact O-N 3.29Å; V333-L336 PolarHBondContact O-N 3.17Å; V334-L336 PolarHBondContact O-N 3.48Å; L336-K339 PolarHBondContact O-N 2.92Å; L336-R340 VanDerWaalsContact O-CB 3.29Å; L336-R340 WeakPolarHBondContact O-CB 3.48Å; L336-R340 PolarHBondContact O-N 3.44Å |
| 337 | K | 95.8 | Very high | 96.2 | Very high | 109 Ų | 109 | 82 Ų | 82 | 47% | 0.474 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -64.4 | -43.2 | 175.1 | -75.9 | -179.8 | 175.3 | -179.2 | 0 | 111.7 | V333 V334 R340 R341 | V333-K337 HydrophobicContact CG1-CD 4.07Å; V333-K337 WeakPolarHBondContact O-CB 3.44Å; V333-K337 WeakPolarHBondContact O-CG 2.92Å; V333-K337 PolarHBondContact O-N 3.41Å; V334-K337 PolarHBondContact O-N 3.41Å; K337-R340 PolarHBondContact O-N 2.86Å; K337-R341 PolarHBondContact O-N 3.43Å |
| 338 | Q | 97.4 | Very high | 96.6 | Very high | 115 Ų | 115 | 83.9 Ų | 83.9 | 54% | 0.537 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -63.6 | -47.8 | 176.4 | -175.6 | 61.9 | 15.4 | 0 | 0 | 111.1 | V334 R335 R340 R341 T342 | V334-Q338 WeakPolarHBondContact O-CB 3.34Å; V334-Q338 PolarHBondContact O-N 2.98Å; R335-Q338 PolarHBondContact O-N 3.48Å; Q338-R340 VanDerWaalsContact C-N 3.32Å; Q338-R340 PolarHBondContact O-N 3.23Å; Q338-R341 WeakPolarHBondContact O-CB 3.48Å; Q338-R341 PolarHBondContact O-N 2.89Å; Q338-R341 VanDerWaalsContact O-N 3.12Å; Q338-T342 PolarHBondContact O-N 3.09Å; Q338-T342 PolarHBondContact O-OG1 3.48Å |
| 339 | K | 96.2 | Very high | 96.9 | Very high | 53 Ų | 53 | 84.5 Ų | 84.5 | 23% | 0.23 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -55.1 | -48.6 | 175.2 | -174 | -179.1 | 179.6 | -166.2 | 0 | 110.8 | N305 D310 L313 R335 L336 R341 T342 L343 | N305-K339 PolarHBondContact OD1-NZ 3.47Å; D310-K339 WeakPolarHBondContact OD1-CE 3.49Å; D310-K339 IonicContact OD1-NZ 3.2Å; D310-K339 PolarHBondContact OD1-NZ 2.94Å; L313-K339 HydrophobicContact CD2-CB 4.19Å; L313-K339 HydrophobicContact CD2-CD 3.88Å; L313-K339 HydrophobicContact CD2-CG 3.96Å; R335-K339 VanDerWaalsContact O-CB 3.25Å; R335-K339 WeakPolarHBondContact O-CB 3.48Å; R335-K339 PolarHBondContact O-N 3.04Å; L336-K339 PolarHBondContact O-N 2.92Å; K339-R341 VanDerWaalsContact C-N 3.35Å; K339-R341 PolarHBondContact O-N 2.8Å; K339-T342 PolarHBondContact O-N 3.18Å; K339-L343 HydrophobicContact CG-CD1 4.12Å; K339-L343 WeakPolarHBondContact O-CG 3.45Å; K339-L343 PolarHBondContact O-N 3.37Å |
| 340 | R | 97.6 | Very high | 97 | Very high | 28 Ų | 28 | 88.1 Ų | 88.1 | 11% | 0.106 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -58.6 | -43.5 | 176.5 | -175 | 173 | -179.1 | 179.3 | 3.9 | 112.4 | L313 V314 L316 L321 L336 K337 Q338 L343 K344 | L313-R340 HydrophobicContact CD1-CB 4.28Å; L313-R340 HydrophobicContact CD2-CB 4.17Å; L313-R340 HydrophobicContact CG-CB 3.95Å; L313-R340 HydrophobicContact CG-CG 4.28Å; L313-R340 VanDerWaalsContact O-CD 3.27Å; L313-R340 WeakPolarHBondContact O-CD 3.37Å; L313-R340 PolarHBondContact O-NE 3.37Å; L313-R340 VanDerWaalsContact O-NE 3.13Å; V314-R340 PolarHBondContact O-NH2 3.05Å; L316-R340 PolarHBondContact O-NH1 2.89Å; L316-R340 PolarHBondContact O-NH2 2.94Å; L321-R340 VanDerWaalsContact CD2-NH1 3.32Å; L336-R340 VanDerWaalsContact O-CB 3.29Å; L336-R340 WeakPolarHBondContact O-CB 3.48Å; L336-R340 PolarHBondContact O-N 3.44Å; K337-R340 PolarHBondContact O-N 2.86Å; Q338-R340 VanDerWaalsContact C-N 3.32Å; Q338-R340 PolarHBondContact O-N 3.23Å; R340-L343 PolarHBondContact O-N 3.44Å; R340-K344 HydrophobicContact CG-CD 4.5Å; R340-K344 WeakPolarHBondContact O-CG 3.49Å; R340-K344 PolarHBondContact O-N 2.97Å |
| 341 | R | 98.2 | Very high | 97.1 | Very high | 167 Ų | 167 | 83.1 Ų | 83.1 | 63% | 0.63 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -62.2 | -46.3 | 177.6 | -177.5 | 168.8 | -178.3 | 152.2 | -0.8 | 111.4 | K337 Q338 K339 L343 K344 N345 | K337-R341 PolarHBondContact O-N 3.43Å; Q338-R341 WeakPolarHBondContact O-CB 3.48Å; Q338-R341 PolarHBondContact O-N 2.89Å; Q338-R341 VanDerWaalsContact O-N 3.12Å; K339-R341 VanDerWaalsContact C-N 3.35Å; K339-R341 PolarHBondContact O-N 2.8Å; R341-L343 VanDerWaalsContact C-N 3.35Å; R341-L343 PolarHBondContact O-N 3.22Å; R341-K344 PolarHBondContact O-N 2.97Å; R341-N345 WeakPolarHBondContact O-CB 3.46Å; R341-N345 PolarHBondContact O-N 2.9Å |
| 342 | T | 98.3 | Very high | 97.3 | Very high | 81 Ų | 81 | 80.1 Ų | 80.1 | 50% | 0.497 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -59.6 | -45 | 176.8 | -58.6 | 0 | 0 | 0 | 0 | 111.6 | Q338 K339 N345 R346 | Q338-T342 PolarHBondContact O-N 3.09Å; Q338-T342 PolarHBondContact O-OG1 3.48Å; K339-T342 PolarHBondContact O-N 3.18Å; T342-N345 PolarHBondContact O-N 2.95Å; T342-R346 PolarHBondContact O-N 3.06Å |
| 343 | L | 98.2 | Very high | 97.5 | Very high | 31 Ų | 31 | 87.2 Ų | 87.2 | 16% | 0.162 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -65.2 | -42.1 | 178 | -69 | 171.7 | 0 | 0 | 0 | 112.6 | D310 L313 V314 K339 R340 R341 N345 R346 G347 | D310-L343 HydrophobicContact CB-CD1 3.72Å; D310-L343 HydrophobicContact CB-CD2 4.15Å; L313-L343 HydrophobicContact CD2-CD1 4.25Å; V314-L343 HydrophobicContact CG2-CB 3.36Å; V314-L343 HydrophobicContact CG2-CD1 4Å; V314-L343 HydrophobicContact CG2-CG 4.3Å; K339-L343 HydrophobicContact CG-CD1 4.12Å; K339-L343 WeakPolarHBondContact O-CG 3.45Å; K339-L343 PolarHBondContact O-N 3.37Å; R340-L343 PolarHBondContact O-N 3.44Å; R341-L343 VanDerWaalsContact C-N 3.35Å; R341-L343 PolarHBondContact O-N 3.22Å; L343-N345 PolarHBondContact O-N 3.41Å; L343-R346 WeakPolarHBondContact O-CB 3.45Å; L343-R346 PolarHBondContact O-N 3.35Å; L343-G347 PolarHBondContact O-N 3.26Å |
| 344 | K | 98.3 | Very high | 97.7 | Very high | 74 Ų | 74 | 92.2 Ų | 92.2 | 32% | 0.322 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -63.2 | -42 | 174.2 | -72.1 | -169.6 | 79 | 176.2 | 0 | 112 | V314 R340 R341 R346 G347 Y348 | V314-K344 HydrophobicContact CG1-CG 4.08Å; R340-K344 HydrophobicContact CG-CD 4.5Å; R340-K344 WeakPolarHBondContact O-CG 3.49Å; R340-K344 PolarHBondContact O-N 2.97Å; R341-K344 PolarHBondContact O-N 2.97Å; K344-R346 VanDerWaalsContact C-N 3.26Å; K344-R346 PolarHBondContact O-N 3.06Å; K344-G347 WeakPolarHBondContact O-CA 3.38Å; K344-G347 PolarHBondContact O-N 3.44Å; K344-G347 VanDerWaalsContact O-N 3.09Å; K344-Y348 HydrophobicContact CB-CE2 4.07Å; K344-Y348 VanDerWaalsContact CE-OH 3.27Å; K344-Y348 WeakPolarHBondContact CE-OH 3.4Å; K344-Y348 PolarHBondContact NZ-OH 2.98Å; K344-Y348 WeakPolarHBondContact O-CD2 3.43Å; K344-Y348 PolarHBondContact O-N 3.34Å |
| 345 | N | 98.4 | Very high | 97.9 | Very high | 83 Ų | 83 | 95.2 Ų | 95.2 | 44% | 0.444 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -62.1 | -35.2 | 176.4 | -77.2 | -2.6 | 0 | 0 | 0 | 112.4 | R341 T342 L343 G347 Y348 A349 | R341-N345 WeakPolarHBondContact O-CB 3.46Å; R341-N345 PolarHBondContact O-N 2.9Å; T342-N345 PolarHBondContact O-N 2.95Å; L343-N345 PolarHBondContact O-N 3.41Å; N345-G347 VanDerWaalsContact C-N 3.34Å; N345-Y348 PolarHBondContact O-N 2.97Å; N345-A349 WeakPolarHBondContact O-CB 3.44Å; N345-A349 PolarHBondContact O-N 3.37Å |
| 346 | R | 98.4 | Very high | 98.1 | Very high | 199 Ų | 199 | 99 Ų | 99 | 75% | 0.751 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -59.5 | -45.8 | 171.6 | -173.2 | 177.4 | -178.5 | 142.3 | 0.4 | 111.4 | T342 L343 K344 A349 Q350 | T342-R346 PolarHBondContact O-N 3.06Å; L343-R346 WeakPolarHBondContact O-CB 3.45Å; L343-R346 PolarHBondContact O-N 3.35Å; K344-R346 VanDerWaalsContact C-N 3.26Å; K344-R346 PolarHBondContact O-N 3.06Å; R346-A349 PolarHBondContact O-N 2.89Å; R346-Q350 PolarHBondContact O-N 3.23Å; R346-Q350 VanDerWaalsContact O-N 3.16Å |
| 347 | G | 98.3 | Very high | 98.2 | Very high | 29 Ų | 29 | 102.1 Ų | 102.1 | 30% | 0.299 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -61.6 | -44.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L343 K344 N345 A349 Q350 S351 | L343-G347 PolarHBondContact O-N 3.26Å; K344-G347 WeakPolarHBondContact O-CA 3.38Å; K344-G347 PolarHBondContact O-N 3.44Å; K344-G347 VanDerWaalsContact O-N 3.09Å; N345-G347 VanDerWaalsContact C-N 3.34Å; G347-A349 VanDerWaalsContact C-N 3.34Å; G347-A349 PolarHBondContact O-N 3.06Å; G347-Q350 WeakPolarHBondContact O-CB 3.46Å; G347-Q350 PolarHBondContact O-N 3.29Å; G347-Q350 VanDerWaalsContact O-N 3.17Å; G347-S351 PolarHBondContact O-N 2.96Å; G347-S351 PolarHBondContact O-OG 2.66Å |
| 348 | Y | 98.6 | Very high | 98.4 | Very high | 130 Ų | 130 | 101.7 Ų | 101.7 | 51% | 0.51 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -62.9 | -38.3 | 177.5 | -60.9 | -36.5 | 0 | 0 | 0 | 112.9 | K344 N345 Q350 S351 C352 | K344-Y348 HydrophobicContact CB-CE2 4.07Å; K344-Y348 VanDerWaalsContact CE-OH 3.27Å; K344-Y348 WeakPolarHBondContact CE-OH 3.4Å; K344-Y348 PolarHBondContact NZ-OH 2.98Å; K344-Y348 WeakPolarHBondContact O-CD2 3.43Å; K344-Y348 PolarHBondContact O-N 3.34Å; N345-Y348 PolarHBondContact O-N 2.97Å; Y348-Q350 VanDerWaalsContact C-N 3.34Å; Y348-S351 PolarHBondContact O-N 3.48Å; Y348-C352 VanDerWaalsContact O-CB 3.24Å; Y348-C352 WeakPolarHBondContact O-CB 3.31Å; Y348-C352 PolarHBondContact O-N 3.32Å |
| 349 | A | 98.6 | Very high | 98.4 | Very high | 45 Ų | 45 | 102 Ų | 102 | 37% | 0.372 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62.5 | -42.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | N345 R346 G347 C352 R353 | N345-A349 WeakPolarHBondContact O-CB 3.44Å; N345-A349 PolarHBondContact O-N 3.37Å; R346-A349 PolarHBondContact O-N 2.89Å; G347-A349 VanDerWaalsContact C-N 3.34Å; G347-A349 PolarHBondContact O-N 3.06Å; A349-C352 PolarHBondContact O-N 3.18Å; A349-R353 VanDerWaalsContact O-CG 3.31Å; A349-R353 WeakPolarHBondContact O-CG 3.38Å; A349-R353 PolarHBondContact O-N 2.97Å |
| 350 | Q | 98.6 | Very high | 98.6 | Very high | 142 Ų | 142 | 104.8 Ų | 104.8 | 66% | 0.664 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -62.6 | -49 | 174.9 | -173.4 | -178.9 | 2.2 | 0 | 0 | 111.5 | R346 G347 Y348 C352 R353 Y354 | R346-Q350 PolarHBondContact O-N 3.23Å; R346-Q350 VanDerWaalsContact O-N 3.16Å; G347-Q350 WeakPolarHBondContact O-CB 3.46Å; G347-Q350 PolarHBondContact O-N 3.29Å; G347-Q350 VanDerWaalsContact O-N 3.17Å; Y348-Q350 VanDerWaalsContact C-N 3.34Å; Q350-C352 VanDerWaalsContact C-N 3.3Å; Q350-C352 PolarHBondContact O-N 3.4Å; Q350-R353 PolarHBondContact O-N 3Å; Q350-Y354 WeakPolarHBondContact O-CB 3.23Å; Q350-Y354 PolarHBondContact O-N 3.48Å |
| 351 | S | 98.8 | Very high | 98.6 | Very high | 64 Ų | 64 | 107.9 Ų | 107.9 | 45% | 0.448 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.9 | -36.9 | 177.3 | -57.1 | 0 | 0 | 0 | 0 | 112.5 | G347 Y348 Y354 K355 | G347-S351 PolarHBondContact O-N 2.96Å; G347-S351 PolarHBondContact O-OG 2.66Å; Y348-S351 PolarHBondContact O-N 3.48Å; S351-Y354 PolarHBondContact O-N 3.17Å; S351-K355 WeakPolarHBondContact O-CB 3.28Å; S351-K355 WeakPolarHBondContact O-CG 3.43Å; S351-K355 PolarHBondContact O-N 3.28Å |
| 352 | C | 98.8 | Very high | 98.6 | Very high | 60 Ų | 60 | 102.3 Ų | 102.3 | 41% | 0.405 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.9 | -48.9 | 175.6 | -178.4 | 0 | 0 | 0 | 0 | 111.2 | Y348 A349 Q350 Y354 K355 R356 | Y348-C352 VanDerWaalsContact O-CB 3.24Å; Y348-C352 WeakPolarHBondContact O-CB 3.31Å; Y348-C352 PolarHBondContact O-N 3.32Å; A349-C352 PolarHBondContact O-N 3.18Å; Q350-C352 VanDerWaalsContact C-N 3.3Å; Q350-C352 PolarHBondContact O-N 3.4Å; C352-Y354 VanDerWaalsContact C-N 3.32Å; C352-Y354 PolarHBondContact O-N 3.43Å; C352-K355 PolarHBondContact O-N 3.43Å; C352-R356 WeakPolarHBondContact O-CB 3.24Å; C352-R356 WeakPolarHBondContact O-CG 3.49Å; C352-R356 PolarHBondContact O-N 3.37Å |
| 353 | R | 98.9 | Very high | 98.7 | Very high | 191 Ų | 191 | 102.6 Ų | 102.6 | 72% | 0.721 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -59.1 | -44.5 | 175.4 | -69.9 | 171.4 | -174.6 | -178.2 | 0.8 | 111.3 | A349 Q350 R356 L357 | A349-R353 VanDerWaalsContact O-CG 3.31Å; A349-R353 WeakPolarHBondContact O-CG 3.38Å; A349-R353 PolarHBondContact O-N 2.97Å; Q350-R353 PolarHBondContact O-N 3Å; R353-R356 PolarHBondContact O-N 3.25Å; R353-L357 VanDerWaalsContact O-CB 3.23Å; R353-L357 WeakPolarHBondContact O-CB 3.42Å; R353-L357 PolarHBondContact O-N 2.89Å |
| 354 | Y | 98.9 | Very high | 98.7 | Very high | 132 Ų | 132 | 105.2 Ų | 105.2 | 52% | 0.518 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.9 | -48.1 | 177.9 | -179.9 | -97.4 | 0 | 0 | 0 | 112.5 | Q350 S351 C352 R356 L357 Q358 | Q350-Y354 WeakPolarHBondContact O-CB 3.23Å; Q350-Y354 PolarHBondContact O-N 3.48Å; S351-Y354 PolarHBondContact O-N 3.17Å; C352-Y354 VanDerWaalsContact C-N 3.32Å; C352-Y354 PolarHBondContact O-N 3.43Å; Y354-R356 PolarHBondContact O-N 3.48Å; Y354-L357 WeakPolarHBondContact O-CB 3.39Å; Y354-L357 PolarHBondContact O-N 2.89Å; Y354-Q358 HydrophobicContact CD1-CG 4.32Å; Y354-Q358 HydrophobicContact CE1-CG 3.87Å; Y354-Q358 HydrophobicContact CE2-CG 4.35Å; Y354-Q358 PolarHBondContact O-N 2.89Å; Y354-Q358 PolarHBondContact OH-NE2 3.13Å |
| 355 | K | 98.9 | Very high | 98.7 | Very high | 149 Ų | 149 | 105.2 Ų | 105.2 | 65% | 0.648 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.2 | -42.6 | 178.3 | -74.2 | -178.3 | 179.5 | -173.2 | 0 | 112.3 | S351 C352 L357 Q358 H359 | S351-K355 WeakPolarHBondContact O-CB 3.28Å; S351-K355 WeakPolarHBondContact O-CG 3.43Å; S351-K355 PolarHBondContact O-N 3.28Å; C352-K355 PolarHBondContact O-N 3.43Å; K355-L357 VanDerWaalsContact C-N 3.31Å; K355-L357 PolarHBondContact O-N 2.94Å; K355-Q358 PolarHBondContact O-N 3.17Å; K355-H359 WeakPolarHBondContact O-CB 3.37Å; K355-H359 PolarHBondContact O-N 3.42Å |
| 356 | R | 98.8 | Very high | 98.7 | Very high | 188 Ų | 188 | 106.4 Ų | 106.4 | 71% | 0.709 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61.6 | -42.2 | 174.9 | -73.9 | 179.7 | 178.2 | -128.5 | -0.7 | 111.5 | C352 R353 Y354 H359 R360 | C352-R356 WeakPolarHBondContact O-CB 3.24Å; C352-R356 WeakPolarHBondContact O-CG 3.49Å; C352-R356 PolarHBondContact O-N 3.37Å; R353-R356 PolarHBondContact O-N 3.25Å; Y354-R356 PolarHBondContact O-N 3.48Å; R356-H359 PolarHBondContact O-N 3.36Å; R356-R360 WeakPolarHBondContact O-CB 3.18Å; R356-R360 PolarHBondContact O-N 3.47Å |
| 357 | L | 98.9 | Very high | 98.8 | Very high | 74 Ų | 74 | 104 Ų | 104 | 39% | 0.387 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.5 | -47 | 177.3 | -180 | 60.3 | 0 | 0 | 0 | 111.7 | R353 Y354 K355 R360 H361 | R353-L357 VanDerWaalsContact O-CB 3.23Å; R353-L357 WeakPolarHBondContact O-CB 3.42Å; R353-L357 PolarHBondContact O-N 2.89Å; Y354-L357 WeakPolarHBondContact O-CB 3.39Å; Y354-L357 PolarHBondContact O-N 2.89Å; K355-L357 VanDerWaalsContact C-N 3.31Å; K355-L357 PolarHBondContact O-N 2.94Å; L357-R360 PolarHBondContact O-N 2.75Å; L357-H361 WeakPolarHBondContact CD1-NE2 3.34Å; L357-H361 PolarHBondContact O-CD2 2.89Å; L357-H361 PolarHBondContact O-N 3.08Å |
| 358 | Q | 98.8 | Very high | 98.8 | Very high | 101 Ų | 101 | 108.8 Ų | 108.8 | 47% | 0.472 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.2 | -44.1 | 175.6 | -80.1 | -160.1 | -41.6 | 0 | 0 | 112.4 | Y354 K355 R360 H361 A362 | Y354-Q358 HydrophobicContact CD1-CG 4.32Å; Y354-Q358 HydrophobicContact CE1-CG 3.87Å; Y354-Q358 HydrophobicContact CE2-CG 4.35Å; Y354-Q358 PolarHBondContact O-N 2.89Å; Y354-Q358 PolarHBondContact OH-NE2 3.13Å; K355-Q358 PolarHBondContact O-N 3.17Å; Q358-R360 VanDerWaalsContact C-N 3.35Å; Q358-R360 PolarHBondContact O-N 2.96Å; Q358-H361 PolarHBondContact O-N 2.63Å; Q358-A362 PolarHBondContact O-N 3.44Å |
| 359 | H | 98.8 | Very high | 98.8 | Very high | 122 Ų | 122 | 106.7 Ų | 106.7 | 57% | 0.565 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.7 | -44.1 | 178 | -178.1 | 55.8 | 0 | 0 | 0 | 111.6 | K355 R356 H361 A362 L363 | K355-H359 WeakPolarHBondContact O-CB 3.37Å; K355-H359 PolarHBondContact O-N 3.42Å; R356-H359 PolarHBondContact O-N 3.36Å; H359-H361 PolarHBondContact O-N 3.36Å; H359-A362 PolarHBondContact O-N 3.3Å; H359-L363 WeakPolarHBondContact O-CG 3.34Å; H359-L363 PolarHBondContact O-N 3.09Å |
| 360 | R | 98.8 | Very high | 98.8 | Very high | 110 Ų | 110 | 108.5 Ų | 108.5 | 42% | 0.415 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -57.7 | -48.4 | 173.3 | -178.6 | -178.2 | 63.6 | 81.1 | -0.1 | 111.7 | R356 L357 Q358 A362 L363 E364 | R356-R360 WeakPolarHBondContact O-CB 3.18Å; R356-R360 PolarHBondContact O-N 3.47Å; L357-R360 PolarHBondContact O-N 2.75Å; Q358-R360 VanDerWaalsContact C-N 3.35Å; Q358-R360 PolarHBondContact O-N 2.96Å; R360-A362 VanDerWaalsContact C-N 3.32Å; R360-A362 PolarHBondContact O-N 2.9Å; R360-L363 PolarHBondContact O-N 3.3Å; R360-E364 HydrophobicContact CG-CG 4.45Å; R360-E364 WeakPolarHBondContact CG-OE1 3.36Å; R360-E364 IonicContact CZ-OE1 3.94Å; R360-E364 IonicContact CZ-OE2 2.64Å; R360-E364 IonicContact NH1-OE1 3.75Å; R360-E364 PolarHBondContact NH1-OE1 2.92Å; R360-E364 IonicContact NH1-OE2 3.25Å; R360-E364 PolarHBondContact NH1-OE2 2.94Å; R360-E364 WeakPolarHBondContact O-CG 3.38Å; R360-E364 PolarHBondContact O-N 3.32Å |
| 361 | H | 98.9 | Very high | 98.8 | Very high | 94 Ų | 94 | 104.3 Ų | 104.3 | 44% | 0.435 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.3 | -38.2 | 178.5 | -77.7 | -54 | 0 | 0 | 0 | 113.1 | L357 Q358 H359 E364 S365 | L357-H361 WeakPolarHBondContact CD1-NE2 3.34Å; L357-H361 PolarHBondContact O-CD2 2.89Å; L357-H361 PolarHBondContact O-N 3.08Å; Q358-H361 PolarHBondContact O-N 2.63Å; H359-H361 PolarHBondContact O-N 3.36Å; H361-E364 IonicContact ND1-OE2 2.67Å; H361-E364 PolarHBondContact ND1-OE2 3.01Å; H361-E364 PolarHBondContact O-N 3.39Å; H361-S365 PolarHBondContact O-N 2.83Å; H361-S365 PolarHBondContact O-OG 3.37Å |
| 362 | A | 98.8 | Very high | 98.8 | Very high | 50 Ų | 50 | 106.4 Ų | 106.4 | 41% | 0.413 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61 | -49.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111 | Q358 H359 R360 E364 S365 E366 | Q358-A362 PolarHBondContact O-N 3.44Å; H359-A362 PolarHBondContact O-N 3.3Å; R360-A362 VanDerWaalsContact C-N 3.32Å; R360-A362 PolarHBondContact O-N 2.9Å; A362-E364 VanDerWaalsContact C-N 3.33Å; A362-E364 PolarHBondContact O-N 3.19Å; A362-S365 PolarHBondContact O-N 2.99Å; A362-S365 PolarHBondContact O-OG 3.32Å; A362-E366 PolarHBondContact O-N 3.41Å |
| 363 | L | 98.8 | Very high | 98.8 | Very high | 87 Ų | 87 | 107.7 Ų | 107.7 | 46% | 0.455 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.1 | -38.4 | 176.7 | -67.2 | 175.7 | 0 | 0 | 0 | 112.6 | H359 R360 S365 E366 K367 | H359-L363 WeakPolarHBondContact O-CG 3.34Å; H359-L363 PolarHBondContact O-N 3.09Å; R360-L363 PolarHBondContact O-N 3.3Å; L363-S365 VanDerWaalsContact C-N 3.35Å; L363-E366 PolarHBondContact O-N 2.95Å; L363-K367 WeakPolarHBondContact O-CB 3.19Å; L363-K367 PolarHBondContact O-N 2.7Å |
| 364 | E | 98.8 | Very high | 98.8 | Very high | 86 Ų | 86 | 103.6 Ų | 103.6 | 40% | 0.402 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.7 | -40.3 | 175.1 | -76.2 | 168.7 | -179.8 | 0 | 0 | 112.2 | R360 H361 A362 H368 | R360-E364 HydrophobicContact CG-CG 4.45Å; R360-E364 WeakPolarHBondContact CG-OE1 3.36Å; R360-E364 IonicContact CZ-OE1 3.94Å; R360-E364 IonicContact CZ-OE2 2.64Å; R360-E364 IonicContact NH1-OE1 3.75Å; R360-E364 PolarHBondContact NH1-OE1 2.92Å; R360-E364 IonicContact NH1-OE2 3.25Å; R360-E364 PolarHBondContact NH1-OE2 2.94Å; R360-E364 WeakPolarHBondContact O-CG 3.38Å; R360-E364 PolarHBondContact O-N 3.32Å; H361-E364 IonicContact ND1-OE2 2.67Å; H361-E364 PolarHBondContact ND1-OE2 3.01Å; H361-E364 PolarHBondContact O-N 3.39Å; A362-E364 VanDerWaalsContact C-N 3.33Å; A362-E364 PolarHBondContact O-N 3.19Å; E364-H368 WeakPolarHBondContact O-CB 3.45Å; E364-H368 PolarHBondContact O-N 3.39Å |
| 365 | S | 98.8 | Very high | 98.8 | Very high | 74 Ų | 74 | 102.8 Ų | 102.8 | 52% | 0.517 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67.1 | -40.3 | 176.5 | 70 | 0 | 0 | 0 | 0 | 112.3 | H361 A362 L363 H368 L369 | H361-S365 PolarHBondContact O-N 2.83Å; H361-S365 PolarHBondContact O-OG 3.37Å; A362-S365 PolarHBondContact O-N 2.99Å; A362-S365 PolarHBondContact O-OG 3.32Å; L363-S365 VanDerWaalsContact C-N 3.35Å; S365-H368 PolarHBondContact O-N 3.32Å; S365-L369 PolarHBondContact O-N 3.38Å |
| 366 | E | 98.8 | Very high | 98.8 | Very high | 108 Ų | 108 | 101.7 Ų | 101.7 | 51% | 0.505 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66.1 | -45.6 | 176.2 | -175.7 | 177.9 | -173.9 | 0 | 0 | 111.3 | A362 L363 H368 L369 L370 | A362-E366 PolarHBondContact O-N 3.41Å; L363-E366 PolarHBondContact O-N 2.95Å; E366-H368 VanDerWaalsContact C-N 3.26Å; E366-H368 PolarHBondContact O-N 2.82Å; E366-L369 PolarHBondContact O-N 3.32Å; E366-L370 HydrophobicContact CG-CD1 4.09Å; E366-L370 HydrophobicContact CG-CG 4.47Å; E366-L370 WeakPolarHBondContact O-CG 3.36Å; E366-L370 PolarHBondContact O-N 3.45Å |
| 367 | K | 98.7 | Very high | 98.8 | Very high | 147 Ų | 147 | 98.3 Ų | 98.3 | 64% | 0.639 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -53.6 | -46.7 | 172.5 | 178.5 | -164.7 | 169.2 | 179.7 | 0 | 110.9 | L363 L370 T371 | L363-K367 WeakPolarHBondContact O-CB 3.19Å; L363-K367 PolarHBondContact O-N 2.7Å; K367-L370 PolarHBondContact O-N 3.3Å; K367-T371 WeakPolarHBondContact O-CB 3.39Å; K367-T371 PolarHBondContact O-N 3.43Å; K367-T371 PolarHBondContact O-OG1 2.97Å |
| 368 | H | 98.8 | Very high | 98.8 | Very high | 131 Ų | 131 | 100.4 Ų | 100.4 | 61% | 0.606 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.7 | -44.6 | -179.2 | -175.8 | 59.1 | 0 | 0 | 0 | 111.6 | E364 S365 E366 T371 Q372 | E364-H368 WeakPolarHBondContact O-CB 3.45Å; E364-H368 PolarHBondContact O-N 3.39Å; S365-H368 PolarHBondContact O-N 3.32Å; E366-H368 VanDerWaalsContact C-N 3.26Å; E366-H368 PolarHBondContact O-N 2.82Å; H368-T371 PolarHBondContact O-N 3.33Å; H368-Q372 PolarHBondContact O-N 3.48Å |
| 369 | L | 98.9 | Very high | 98.8 | Very high | 86 Ų | 86 | 99.6 Ų | 99.6 | 45% | 0.45 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60 | -47.8 | 176.2 | -179.5 | 65.1 | 0 | 0 | 0 | 112.1 | S365 E366 T371 Q372 Q373 | S365-L369 PolarHBondContact O-N 3.38Å; E366-L369 PolarHBondContact O-N 3.32Å; L369-T371 VanDerWaalsContact C-N 3.3Å; L369-T371 PolarHBondContact O-N 3.34Å; L369-Q372 WeakPolarHBondContact O-CB 3.39Å; L369-Q372 PolarHBondContact O-N 2.99Å; L369-Q373 WeakPolarHBondContact O-CG 3.44Å; L369-Q373 PolarHBondContact O-N 2.96Å |
| 370 | L | 98.8 | Very high | 98.8 | Very high | 83 Ų | 83 | 97.7 Ų | 97.7 | 44% | 0.435 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.3 | -37.8 | 179.2 | -70 | 174 | 0 | 0 | 0 | 111.8 | E366 K367 Q372 Q373 L374 | E366-L370 HydrophobicContact CG-CD1 4.09Å; E366-L370 HydrophobicContact CG-CG 4.47Å; E366-L370 WeakPolarHBondContact O-CG 3.36Å; E366-L370 PolarHBondContact O-N 3.45Å; K367-L370 PolarHBondContact O-N 3.3Å; L370-Q372 VanDerWaalsContact C-N 3.35Å; L370-Q373 PolarHBondContact O-N 3.26Å; L370-L374 WeakPolarHBondContact O-CG 3.4Å; L370-L374 PolarHBondContact O-N 3.24Å |
| 371 | T | 98.7 | Very high | 98.8 | Very high | 54 Ų | 54 | 97.3 Ų | 97.3 | 33% | 0.331 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.7 | -45.3 | 175.3 | -56.6 | 0 | 0 | 0 | 0 | 110.6 | K367 H368 L369 Q373 L374 E375 | K367-T371 WeakPolarHBondContact O-CB 3.39Å; K367-T371 PolarHBondContact O-N 3.43Å; K367-T371 PolarHBondContact O-OG1 2.97Å; H368-T371 PolarHBondContact O-N 3.33Å; L369-T371 VanDerWaalsContact C-N 3.3Å; L369-T371 PolarHBondContact O-N 3.34Å; T371-Q373 PolarHBondContact O-N 2.91Å; T371-L374 PolarHBondContact O-N 3Å; T371-E375 WeakPolarHBondContact O-CG 3.47Å; T371-E375 PolarHBondContact O-N 3.38Å |
| 372 | Q | 98.9 | Very high | 98.8 | Very high | 108 Ų | 108 | 95.8 Ų | 95.8 | 51% | 0.505 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.2 | -41.8 | 176 | -177.9 | 178.7 | 61.1 | 0 | 0 | 112.2 | H368 L369 L370 E375 Q376 | H368-Q372 PolarHBondContact O-N 3.48Å; L369-Q372 WeakPolarHBondContact O-CB 3.39Å; L369-Q372 PolarHBondContact O-N 2.99Å; L370-Q372 VanDerWaalsContact C-N 3.35Å; Q372-E375 PolarHBondContact O-N 3.32Å; Q372-Q376 WeakPolarHBondContact O-CB 3.24Å; Q372-Q376 PolarHBondContact O-N 3.14Å |
| 373 | Q | 98.8 | Very high | 98.8 | Very high | 86 Ų | 86 | 98.5 Ų | 98.5 | 40% | 0.402 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.5 | -41.8 | 176.2 | -71.2 | 177 | 5.3 | 0 | 0 | 112 | L369 L370 T371 Q376 L377 | L369-Q373 WeakPolarHBondContact O-CG 3.44Å; L369-Q373 PolarHBondContact O-N 2.96Å; L370-Q373 PolarHBondContact O-N 3.26Å; T371-Q373 PolarHBondContact O-N 2.91Å; Q373-Q376 PolarHBondContact O-N 3.32Å; Q373-L377 WeakPolarHBondContact O-CB 3.38Å; Q373-L377 WeakPolarHBondContact O-CG 3.46Å; Q373-L377 PolarHBondContact O-N 2.94Å |
| 374 | L | 98.8 | Very high | 98.8 | Very high | 105 Ų | 105 | 97.7 Ų | 97.7 | 55% | 0.55 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.2 | -42.4 | 175.4 | -75.3 | 173.6 | 0 | 0 | 0 | 111.9 | L370 T371 L377 Q378 | L370-L374 WeakPolarHBondContact O-CG 3.4Å; L370-L374 PolarHBondContact O-N 3.24Å; T371-L374 PolarHBondContact O-N 3Å; L374-L377 PolarHBondContact O-N 3.46Å; L374-Q378 WeakPolarHBondContact O-CB 3.47Å; L374-Q378 VanDerWaalsContact O-CG 3.24Å; L374-Q378 WeakPolarHBondContact O-CG 3.47Å; L374-Q378 PolarHBondContact O-N 3.48Å; L374-Q378 PolarHBondContact O-NE2 3.44Å; L374-Q378 VanDerWaalsContact O-NE2 3.14Å |
| 375 | E | 98.8 | Very high | 98.8 | Very high | 116 Ų | 116 | 96.5 Ų | 96.5 | 54% | 0.542 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.9 | -41.4 | 176.2 | -73 | 174.1 | -177.2 | 0 | 0 | 111.7 | T371 Q372 Q378 C379 | T371-E375 WeakPolarHBondContact O-CG 3.47Å; T371-E375 PolarHBondContact O-N 3.38Å; Q372-E375 PolarHBondContact O-N 3.32Å; E375-Q378 PolarHBondContact O-N 2.87Å; E375-C379 PolarHBondContact O-N 2.89Å; E375-C379 PolarHBondContact O-SG 3Å |
| 376 | Q | 98.8 | Very high | 98.8 | Very high | 125 Ų | 125 | 101.6 Ų | 101.6 | 58% | 0.584 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63 | -47.9 | 176.2 | -175.5 | 179.8 | -0.9 | 0 | 0 | 111.6 | Q372 Q373 Q378 C379 E380 | Q372-Q376 WeakPolarHBondContact O-CB 3.24Å; Q372-Q376 PolarHBondContact O-N 3.14Å; Q373-Q376 PolarHBondContact O-N 3.32Å; Q376-Q378 VanDerWaalsContact C-N 3.32Å; Q376-Q378 PolarHBondContact O-N 3.33Å; Q376-C379 WeakPolarHBondContact O-CB 3.42Å; Q376-C379 PolarHBondContact O-N 3.16Å; Q376-E380 PolarHBondContact O-N 2.84Å |
| 377 | L | 98.8 | Very high | 98.8 | Very high | 117 Ų | 117 | 100.1 Ų | 100.1 | 61% | 0.613 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -64.7 | -36 | 178.7 | -73.5 | 172.8 | 0 | 0 | 0 | 112.2 | Q373 L374 C379 E380 L381 | Q373-L377 WeakPolarHBondContact O-CB 3.38Å; Q373-L377 WeakPolarHBondContact O-CG 3.46Å; Q373-L377 PolarHBondContact O-N 2.94Å; L374-L377 PolarHBondContact O-N 3.46Å; L377-C379 VanDerWaalsContact C-N 3.35Å; L377-E380 PolarHBondContact O-N 3.33Å; L377-L381 WeakPolarHBondContact O-CB 3.37Å; L377-L381 PolarHBondContact O-N 3.05Å |
| 378 | Q | 98.8 | Very high | 98.8 | Very high | 118 Ų | 118 | 99.6 Ų | 99.6 | 55% | 0.551 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -63.9 | -39.8 | 173.5 | -78.3 | 173.9 | 75 | 0 | 0 | 112.3 | L374 E375 Q376 T382 | L374-Q378 WeakPolarHBondContact O-CB 3.47Å; L374-Q378 VanDerWaalsContact O-CG 3.24Å; L374-Q378 WeakPolarHBondContact O-CG 3.47Å; L374-Q378 PolarHBondContact O-N 3.48Å; L374-Q378 PolarHBondContact O-NE2 3.44Å; L374-Q378 VanDerWaalsContact O-NE2 3.14Å; E375-Q378 PolarHBondContact O-N 2.87Å; Q376-Q378 VanDerWaalsContact C-N 3.32Å; Q376-Q378 PolarHBondContact O-N 3.33Å; Q378-T382 WeakPolarHBondContact O-CB 3.21Å; Q378-T382 PolarHBondContact O-N 3.27Å; Q378-T382 PolarHBondContact O-OG1 3.42Å |
| 379 | C | 98.7 | Very high | 98.7 | Very high | 85 Ų | 85 | 97 Ų | 97 | 57% | 0.574 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -60.9 | -46.7 | 173.4 | -70.1 | 0 | 0 | 0 | 0 | 111.2 | E375 Q376 L377 T382 R383 | E375-C379 PolarHBondContact O-N 2.89Å; E375-C379 PolarHBondContact O-SG 3Å; Q376-C379 WeakPolarHBondContact O-CB 3.42Å; Q376-C379 PolarHBondContact O-N 3.16Å; L377-C379 VanDerWaalsContact C-N 3.35Å; C379-T382 PolarHBondContact O-N 3.05Å; C379-R383 PolarHBondContact O-N 3.11Å |
| 380 | E | 98.8 | Very high | 98.7 | Very high | 81 Ų | 81 | 95 Ų | 95 | 38% | 0.379 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -64.4 | -44.1 | 178.4 | -73 | -55 | 132.2 | 0 | 0 | 112.5 | Q376 L377 T382 R383 V384 | Q376-E380 PolarHBondContact O-N 2.84Å; L377-E380 PolarHBondContact O-N 3.33Å; E380-T382 VanDerWaalsContact C-N 3.3Å; E380-T382 PolarHBondContact O-N 2.96Å; E380-R383 WeakPolarHBondContact O-CB 3.4Å; E380-R383 PolarHBondContact O-N 3.02Å; E380-R383 VanDerWaalsContact O-N 3.16Å; E380-R383 IonicContact OE1-NE 2.95Å; E380-R383 IonicContact OE2-CZ 3.67Å; E380-R383 VanDerWaalsContact OE2-CZ 3.25Å; E380-R383 IonicContact OE2-NE 3.32Å; E380-R383 PolarHBondContact OE2-NE 3.2Å; E380-R383 IonicContact OE2-NH2 2.63Å; E380-R383 PolarHBondContact OE2-NH2 2.67Å; E380-V384 WeakPolarHBondContact O-CG2 3.41Å; E380-V384 PolarHBondContact O-N 3.19Å |
| 381 | L | 98.6 | Very high | 98.7 | Very high | 103 Ų | 103 | 98.2 Ų | 98.2 | 54% | 0.539 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -57.2 | -46.6 | 174.9 | 179.4 | 62.7 | 0 | 0 | 0 | 110.7 | L377 R383 V384 L385 | L377-L381 WeakPolarHBondContact O-CB 3.37Å; L377-L381 PolarHBondContact O-N 3.05Å; L381-R383 VanDerWaalsContact C-N 3.32Å; L381-R383 PolarHBondContact O-N 2.84Å; L381-V384 PolarHBondContact O-N 3.43Å; L381-L385 HydrophobicContact CD1-CD1 4.25Å; L381-L385 HydrophobicContact CD1-CG 4.21Å; L381-L385 HydrophobicContact CG-CD1 4Å; L381-L385 HydrophobicContact CG-CG 4.38Å; L381-L385 WeakPolarHBondContact O-CB 3.44Å; L381-L385 WeakPolarHBondContact O-CG 3.43Å; L381-L385 PolarHBondContact O-N 3.42Å |
| 382 | T | 98.8 | Very high | 98.7 | Very high | 61 Ų | 61 | 101.9 Ų | 101.9 | 37% | 0.374 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.7 | -40.9 | 178.2 | -58 | 0 | 0 | 0 | 0 | 111.7 | Q378 C379 E380 R386 | Q378-T382 WeakPolarHBondContact O-CB 3.21Å; Q378-T382 PolarHBondContact O-N 3.27Å; Q378-T382 PolarHBondContact O-OG1 3.42Å; C379-T382 PolarHBondContact O-N 3.05Å; E380-T382 VanDerWaalsContact C-N 3.3Å; E380-T382 PolarHBondContact O-N 2.96Å; T382-R386 WeakPolarHBondContact O-CG 3.39Å; T382-R386 PolarHBondContact O-N 2.86Å; T382-R386 VanDerWaalsContact O-N 3.14Å |
| 383 | R | 98.8 | Very high | 98.6 | Very high | 107 Ų | 107 | 99.1 Ų | 99.1 | 40% | 0.404 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.5 | -50.8 | 175.9 | -175.9 | -174.9 | 66.2 | 80.4 | -0.8 | 111.2 | C379 E380 L381 L385 R386 E387 | C379-R383 PolarHBondContact O-N 3.11Å; E380-R383 WeakPolarHBondContact O-CB 3.4Å; E380-R383 PolarHBondContact O-N 3.02Å; E380-R383 VanDerWaalsContact O-N 3.16Å; E380-R383 IonicContact OE1-NE 2.95Å; E380-R383 IonicContact OE2-CZ 3.67Å; E380-R383 VanDerWaalsContact OE2-CZ 3.25Å; E380-R383 IonicContact OE2-NE 3.32Å; E380-R383 PolarHBondContact OE2-NE 3.2Å; E380-R383 IonicContact OE2-NH2 2.63Å; E380-R383 PolarHBondContact OE2-NH2 2.67Å; L381-R383 VanDerWaalsContact C-N 3.32Å; L381-R383 PolarHBondContact O-N 2.84Å; R383-L385 PolarHBondContact O-N 2.75Å; R383-R386 WeakPolarHBondContact O-CB 3.01Å; R383-R386 PolarHBondContact O-N 2.85Å; R383-E387 IonicContact CZ-OE1 2.86Å; R383-E387 VanDerWaalsContact NH1-CD 3.27Å; R383-E387 IonicContact NH1-OE1 3.91Å; R383-E387 PolarHBondContact NH1-OE1 2.83Å; R383-E387 IonicContact NH1-OE2 2.75Å; R383-E387 PolarHBondContact NH1-OE2 3.4Å; R383-E387 PolarHBondContact O-N 3.26Å |
| 384 | V | 98.8 | Very high | 98.6 | Very high | 71 Ų | 71 | 102.8 Ų | 102.8 | 43% | 0.43 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.9 | -38.4 | -178.9 | 173.7 | 0 | 0 | 0 | 0 | 111.6 | E380 L381 R386 E387 R388 | E380-V384 WeakPolarHBondContact O-CG2 3.41Å; E380-V384 PolarHBondContact O-N 3.19Å; L381-V384 PolarHBondContact O-N 3.43Å; V384-R386 VanDerWaalsContact C-N 3.34Å; V384-R386 PolarHBondContact O-N 3.48Å; V384-E387 PolarHBondContact O-N 3.47Å; V384-R388 WeakPolarHBondContact O-CB 3.5Å; V384-R388 PolarHBondContact O-N 2.92Å |
| 385 | L | 98.7 | Very high | 98.5 | Very high | 61 Ų | 61 | 104.6 Ų | 104.6 | 32% | 0.319 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.7 | -43.4 | 174.4 | -72.8 | 173.5 | 0 | 0 | 0 | 111.6 | L381 R383 E387 R388 D389 | L381-L385 HydrophobicContact CD1-CD1 4.25Å; L381-L385 HydrophobicContact CD1-CG 4.21Å; L381-L385 HydrophobicContact CG-CD1 4Å; L381-L385 HydrophobicContact CG-CG 4.38Å; L381-L385 WeakPolarHBondContact O-CB 3.44Å; L381-L385 WeakPolarHBondContact O-CG 3.43Å; L381-L385 PolarHBondContact O-N 3.42Å; R383-L385 PolarHBondContact O-N 2.75Å; L385-E387 PolarHBondContact O-N 3.38Å; L385-R388 VanDerWaalsContact CD2-CZ 3.47Å; L385-R388 WeakPolarHBondContact O-CB 3.47Å; L385-R388 PolarHBondContact O-N 3.2Å; L385-D389 WeakPolarHBondContact O-CB 3.35Å; L385-D389 PolarHBondContact O-N 3.02Å |
| 386 | R | 98.8 | Very high | 98.3 | Very high | 180 Ų | 180 | 103 Ų | 103 | 68% | 0.679 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -62.6 | -41.6 | 175.1 | -71.4 | 173.5 | -177.5 | 163.5 | 2.9 | 112 | T382 R383 V384 D389 A390 | T382-R386 WeakPolarHBondContact O-CG 3.39Å; T382-R386 PolarHBondContact O-N 2.86Å; T382-R386 VanDerWaalsContact O-N 3.14Å; R383-R386 WeakPolarHBondContact O-CB 3.01Å; R383-R386 PolarHBondContact O-N 2.85Å; V384-R386 VanDerWaalsContact C-N 3.34Å; V384-R386 PolarHBondContact O-N 3.48Å; R386-D389 PolarHBondContact O-N 3.47Å; R386-A390 WeakPolarHBondContact O-CB 3.44Å; R386-A390 PolarHBondContact O-N 3.14Å |
| 387 | E | 98.7 | Very high | 98.1 | Very high | 77 Ų | 77 | 104 Ų | 104 | 36% | 0.36 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.2 | -48.3 | 176.2 | -73.3 | 171.5 | -169.7 | 0 | 0 | 111.4 | R383 V384 L385 D389 A390 Y391 | R383-E387 IonicContact CZ-OE1 2.86Å; R383-E387 VanDerWaalsContact NH1-CD 3.27Å; R383-E387 IonicContact NH1-OE1 3.91Å; R383-E387 PolarHBondContact NH1-OE1 2.83Å; R383-E387 IonicContact NH1-OE2 2.75Å; R383-E387 PolarHBondContact NH1-OE2 3.4Å; R383-E387 PolarHBondContact O-N 3.26Å; V384-E387 PolarHBondContact O-N 3.47Å; L385-E387 PolarHBondContact O-N 3.38Å; E387-D389 VanDerWaalsContact C-N 3.32Å; E387-D389 PolarHBondContact O-N 3.21Å; E387-A390 WeakPolarHBondContact O-CB 3.37Å; E387-A390 PolarHBondContact O-N 3.43Å; E387-Y391 HydrophobicContact CB-CE2 4.24Å; E387-Y391 WeakPolarHBondContact O-CD2 3.47Å; E387-Y391 PolarHBondContact O-N 2.92Å |
| 388 | R | 98.7 | Very high | 97.9 | Very high | 136 Ų | 136 | 104.6 Ų | 104.6 | 51% | 0.513 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -53.5 | -49.3 | 174.2 | 179.8 | -156.7 | 68.4 | -171.1 | -4.6 | 111.1 | V384 L385 A390 Y391 K392 | V384-R388 WeakPolarHBondContact O-CB 3.5Å; V384-R388 PolarHBondContact O-N 2.92Å; L385-R388 VanDerWaalsContact CD2-CZ 3.47Å; L385-R388 WeakPolarHBondContact O-CB 3.47Å; L385-R388 PolarHBondContact O-N 3.2Å; R388-A390 VanDerWaalsContact C-N 3.33Å; R388-A390 PolarHBondContact O-N 3.25Å; R388-Y391 PolarHBondContact O-N 3.5Å; R388-K392 WeakPolarHBondContact O-CB 3.47Å; R388-K392 PolarHBondContact O-N 3.1Å |
| 389 | D | 98.6 | Very high | 97.7 | Very high | 76 Ų | 76 | 103.8 Ų | 103.8 | 41% | 0.406 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66.6 | -36.5 | -178 | -67.2 | -14 | 0 | 0 | 0 | 111.7 | L385 R386 E387 K392 A393 | L385-D389 WeakPolarHBondContact O-CB 3.35Å; L385-D389 PolarHBondContact O-N 3.02Å; R386-D389 PolarHBondContact O-N 3.47Å; E387-D389 VanDerWaalsContact C-N 3.32Å; E387-D389 PolarHBondContact O-N 3.21Å; D389-K392 PolarHBondContact O-N 2.93Å; D389-A393 WeakPolarHBondContact O-CB 3.34Å; D389-A393 PolarHBondContact O-N 3.06Å |
| 390 | A | 98.6 | Very high | 97 | Very high | 44 Ų | 44 | 104.1 Ų | 104.1 | 36% | 0.364 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.7 | -43.3 | 173 | 0 | 0 | 0 | 0 | 0 | 112.1 | R386 E387 R388 A393 R394 | R386-A390 WeakPolarHBondContact O-CB 3.44Å; R386-A390 PolarHBondContact O-N 3.14Å; E387-A390 WeakPolarHBondContact O-CB 3.37Å; E387-A390 PolarHBondContact O-N 3.43Å; R388-A390 VanDerWaalsContact C-N 3.33Å; R388-A390 PolarHBondContact O-N 3.25Å; A390-A393 PolarHBondContact O-N 3.46Å; A390-R394 WeakPolarHBondContact O-CG 3.49Å; A390-R394 PolarHBondContact O-N 3.02Å; A390-R394 VanDerWaalsContact O-N 3.11Å |
| 391 | Y | 98.6 | Very high | 96 | Very high | 152 Ų | 152 | 105.6 Ų | 105.6 | 60% | 0.596 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -66.5 | -43.7 | 175.8 | -69.9 | -57.7 | 0 | 0 | 0 | 112.1 | E387 R388 A393 R394 Y395 | E387-Y391 HydrophobicContact CB-CE2 4.24Å; E387-Y391 WeakPolarHBondContact O-CD2 3.47Å; E387-Y391 PolarHBondContact O-N 2.92Å; R388-Y391 PolarHBondContact O-N 3.5Å; Y391-A393 VanDerWaalsContact C-N 3.33Å; Y391-A393 PolarHBondContact O-N 2.95Å; Y391-R394 PolarHBondContact O-N 3.26Å; Y391-R394 VanDerWaalsContact O-N 3.15Å; Y391-Y395 PolarHBondContact O-N 3.3Å |
| 392 | K | 98.1 | Very high | 94.4 | Very high | 131 Ų | 131 | 106.6 Ų | 106.6 | 57% | 0.57 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -57.1 | -47.4 | 174.5 | -173.7 | 177.8 | 179.8 | -179.6 | 0 | 110.9 | R388 D389 R394 Y395 E396 | R388-K392 WeakPolarHBondContact O-CB 3.47Å; R388-K392 PolarHBondContact O-N 3.1Å; D389-K392 PolarHBondContact O-N 2.93Å; K392-R394 VanDerWaalsContact C-N 3.3Å; K392-R394 PolarHBondContact O-N 2.95Å; K392-Y395 WeakPolarHBondContact O-CB 3.34Å; K392-Y395 PolarHBondContact O-N 3.15Å; K392-Y395 VanDerWaalsContact O-N 3.15Å; K392-E396 HydrophobicContact CG-CG 4.49Å; K392-E396 WeakPolarHBondContact O-CG 3.34Å; K392-E396 PolarHBondContact O-N 3.48Å |
| 393 | A | 97.7 | Very high | 92.4 | Very high | 50 Ų | 50 | 109.5 Ų | 109.5 | 41% | 0.413 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61.7 | -34.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | D389 A390 Y391 K397 | D389-A393 WeakPolarHBondContact O-CB 3.34Å; D389-A393 PolarHBondContact O-N 3.06Å; A390-A393 PolarHBondContact O-N 3.46Å; Y391-A393 VanDerWaalsContact C-N 3.33Å; Y391-A393 PolarHBondContact O-N 2.95Å; A393-K397 VanDerWaalsContact O-CG 3.29Å; A393-K397 WeakPolarHBondContact O-CG 3.39Å; A393-K397 PolarHBondContact O-N 3.36Å |
| 394 | R | 97.1 | Very high | 90.5 | Very high | 163 Ų | 163 | 107.4 Ų | 107.4 | 62% | 0.615 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -68.6 | -41.3 | 174 | -70.1 | 172.8 | -173.1 | -166.5 | 3.1 | 111.7 | A390 Y391 K392 K397 L398 | A390-R394 WeakPolarHBondContact O-CG 3.49Å; A390-R394 PolarHBondContact O-N 3.02Å; A390-R394 VanDerWaalsContact O-N 3.11Å; Y391-R394 PolarHBondContact O-N 3.26Å; Y391-R394 VanDerWaalsContact O-N 3.15Å; K392-R394 VanDerWaalsContact C-N 3.3Å; K392-R394 PolarHBondContact O-N 2.95Å; R394-K397 PolarHBondContact O-N 3.15Å; R394-L398 PolarHBondContact O-N 3.43Å |
| 395 | Y | 96.9 | Very high | 88.4 | Confident | 143 Ų | 143 | 109.1 Ų | 109.1 | 56% | 0.561 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -62.2 | -49.2 | 177.3 | 177 | -98.2 | 0 | 0 | 0 | 112.1 | Y391 K392 K397 L398 L399 | Y391-Y395 PolarHBondContact O-N 3.3Å; K392-Y395 WeakPolarHBondContact O-CB 3.34Å; K392-Y395 PolarHBondContact O-N 3.15Å; K392-Y395 VanDerWaalsContact O-N 3.15Å; Y395-K397 VanDerWaalsContact C-N 3.26Å; Y395-K397 PolarHBondContact O-N 3.33Å; Y395-L398 WeakPolarHBondContact O-CB 3.39Å; Y395-L398 PolarHBondContact O-N 3.11Å; Y395-L399 HydrophobicContact CE1-CD2 4.45Å; Y395-L399 PolarHBondContact O-N 3.43Å |
| 396 | E | 96.1 | Very high | 85.8 | Confident | 82 Ų | 82 | 110.2 Ų | 110.2 | 38% | 0.383 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -59.9 | -35 | 178.8 | -66.8 | -59.2 | 150.9 | 0 | 0 | 112.8 | K392 L399 S400 | K392-E396 HydrophobicContact CG-CG 4.49Å; K392-E396 WeakPolarHBondContact O-CG 3.34Å; K392-E396 PolarHBondContact O-N 3.48Å; E396-L399 PolarHBondContact O-N 3.41Å; E396-S400 WeakPolarHBondContact O-CB 3.29Å; E396-S400 PolarHBondContact O-N 2.97Å; E396-S400 PolarHBondContact O-OG 2.95Å |
| 397 | K | 94.8 | Very high | 83.1 | Confident | 145 Ų | 145 | 105.5 Ų | 105.5 | 63% | 0.63 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -63.1 | -42.3 | 174.4 | -75.4 | 173.4 | -177.1 | -176 | 0 | 112.1 | A393 R394 Y395 S400 T401 | A393-K397 VanDerWaalsContact O-CG 3.29Å; A393-K397 WeakPolarHBondContact O-CG 3.39Å; A393-K397 PolarHBondContact O-N 3.36Å; R394-K397 PolarHBondContact O-N 3.15Å; Y395-K397 VanDerWaalsContact C-N 3.26Å; Y395-K397 PolarHBondContact O-N 3.33Å; K397-S400 PolarHBondContact O-N 2.9Å; K397-T401 WeakPolarHBondContact O-CB 3.1Å; K397-T401 PolarHBondContact O-N 3.49Å; K397-T401 PolarHBondContact O-OG1 3.25Å |
| 398 | L | 94.5 | Very high | 80.6 | Confident | 130 Ų | 130 | 111.3 Ų | 111.3 | 68% | 0.681 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -66.9 | -41.8 | 177.4 | -67.9 | 173.5 | 0 | 0 | 0 | 111.2 | R394 Y395 S400 T401 N402 | R394-L398 PolarHBondContact O-N 3.43Å; Y395-L398 WeakPolarHBondContact O-CB 3.39Å; Y395-L398 PolarHBondContact O-N 3.11Å; L398-S400 VanDerWaalsContact C-N 3.35Å; L398-S400 PolarHBondContact O-N 3.42Å; L398-T401 PolarHBondContact O-N 2.9Å; L398-N402 PolarHBondContact O-N 3.49Å |
| 399 | L | 92.8 | Very high | 78 | Confident | 101 Ų | 101 | 109.4 Ų | 109.4 | 53% | 0.529 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -61.9 | -43.6 | 176.4 | -171.2 | 62.9 | 0 | 0 | 0 | 111.7 | Y395 E396 T401 N402 | Y395-L399 HydrophobicContact CE1-CD2 4.45Å; Y395-L399 PolarHBondContact O-N 3.43Å; E396-L399 PolarHBondContact O-N 3.41Å; L399-T401 VanDerWaalsContact C-N 3.3Å; L399-T401 PolarHBondContact O-N 2.8Å; L399-N402 PolarHBondContact O-N 3.34Å |
| 400 | S | 84.3 | Confident | 75.4 | Confident | 93 Ų | 93 | 110.6 Ų | 110.6 | 65% | 0.65 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -69.9 | -24.5 | 178.1 | -56.2 | 0 | 0 | 0 | 0 | 113.5 | E396 K397 L398 N402 | E396-S400 WeakPolarHBondContact O-CB 3.29Å; E396-S400 PolarHBondContact O-N 2.97Å; E396-S400 PolarHBondContact O-OG 2.95Å; K397-S400 PolarHBondContact O-N 2.9Å; L398-S400 VanDerWaalsContact C-N 3.35Å; L398-S400 PolarHBondContact O-N 3.42Å; S400-N402 VanDerWaalsContact C-N 3.29Å |
| 401 | T | 79.3 | Confident | 73.5 | Confident | 111 Ų | 111 | 113.8 Ų | 113.8 | 68% | 0.681 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | -1.1 | 179.9 | -54.8 | 0 | 0 | 0 | 0 | 112.3 | K397 L398 L399 P403 | K397-T401 WeakPolarHBondContact O-CB 3.1Å; K397-T401 PolarHBondContact O-N 3.49Å; K397-T401 PolarHBondContact O-OG1 3.25Å; L398-T401 PolarHBondContact O-N 2.9Å; L399-T401 VanDerWaalsContact C-N 3.3Å; L399-T401 PolarHBondContact O-N 2.8Å; T401-P403 WeakPolarHBondContact O-CD 3.33Å |
| 402 | N | 63.3 | Low | 71 | Confident | 124 Ų | 124 | 114.8 Ų | 114.8 | 66% | 0.663 | 69% | 0.69 | S | S | * | * | trans | -108.6 | 58.6 | 178 | -158.1 | 4.5 | 0 | 0 | 0 | 114.4 | L398 L399 S400 G404 | L398-N402 PolarHBondContact O-N 3.49Å; L399-N402 PolarHBondContact O-N 3.34Å; S400-N402 VanDerWaalsContact C-N 3.29Å; N402-G404 PolarHBondContact O-N 3.49Å | ||
| 403 | P | 57 | Low | 68.2 | Low | 123 Ų | 123 | 115.1 Ų | 115.1 | 80% | 0.799 | 70% | 0.703 | S | S | * | * | trans | -87.3 | 57.7 | 171.6 | 37.3 | -33.5 | 0 | 0 | 0 | 110.8 | T401 | T401-P403 WeakPolarHBondContact O-CD 3.33Š| ||
| 404 | G | 58.8 | Low | 65.9 | Low | 63 Ų | 63 | 124.3 Ų | 124.3 | 65% | 0.649 | 73% | 0.727 | S | S | * | * | trans | -147.8 | 38.9 | -163.3 | 0 | 0 | 0 | 0 | 0 | 117 | N402 | N402-G404 PolarHBondContact O-N 3.49Š| ||
| 405 | A | 54.7 | Low | 63.3 | Low | 107 Ų | 107 | 122.6 Ų | 122.6 | 88% | 0.884 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -155.5 | 81.8 | 160.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 406 | G | 45.4 | Very low | 61 | Low | 83 Ų | 83 | 121 Ų | 121 | 86% | 0.856 | 75% | 0.745 | S | S | * | * | S | Bend | trans | 121.5 | 101.9 | 149.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||
| 407 | G | 41.5 | Very low | 58.8 | Low | 81 Ų | 81 | 124.4 Ų | 124.4 | 84% | 0.835 | 77% | 0.766 | S | S | * | * | trans | 113.1 | 102 | 138.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 408 | E | 46.4 | Very low | 57.2 | Low | 199 Ų | 199 | 122.7 Ų | 122.7 | 93% | 0.93 | 77% | 0.77 | S | S | * | * | trans | -51.9 | 139.5 | 158.5 | -73.6 | 177.4 | 106.4 | 0 | 0 | 112.5 | ||||
| 409 | A | 43.8 | Very low | 55.4 | Low | 97 Ų | 97 | 122.6 Ų | 122.6 | 80% | 0.802 | 78% | 0.777 | S | S | * | * | 158.6 | 122.3 | 110.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 410 | A | 43.8 | Very low | 53.5 | Low | 101 Ų | 101 | 123.1 Ų | 123.1 | 84% | 0.835 | 79% | 0.789 | S | S | * | * | trans | 85.3 | 145.9 | 143.1 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 411 | P | 58.6 | Low | 52.7 | Low | 111 Ų | 111 | 124.1 Ų | 124.1 | 72% | 0.721 | 79% | 0.793 | S | S | * | * | trans | -112 | 163.6 | -167.3 | 41.9 | -29.2 | 0 | 0 | 0 | 114.8 | ||||
| 412 | Q | 46.3 | Very low | 52.1 | Low | 173 Ų | 173 | 124 Ų | 124 | 81% | 0.808 | 79% | 0.794 | S | S | * | * | trans | 77.3 | 121.5 | 160.7 | -45.4 | -164.5 | 14.7 | 0 | 0 | 118.7 | ||||
| 413 | T | 38.7 | Very low | 51.9 | Low | 138 Ų | 138 | 123.2 Ų | 123.2 | 85% | 0.847 | 80% | 0.796 | S | S | * | * | -171.9 | 141 | 98 | 28.1 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 414 | R | 49.3 | Very low | 51.7 | Low | 243 Ų | 243 | 124.1 Ų | 124.1 | 92% | 0.917 | 79% | 0.794 | S | S | * | * | trans | -62.9 | 129.3 | 174.9 | -67.6 | 169.7 | 164.6 | -166.1 | -4.8 | 110.5 | ||||
| 415 | T | 43.7 | Very low | 51.5 | Low | 127 Ų | 127 | 131.7 Ų | 131.7 | 78% | 0.779 | 80% | 0.804 | S | S | * | * | trans | -139.9 | 112.8 | 143.5 | 59.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 416 | S | 49.2 | Very low | 51.5 | Low | 110 Ų | 110 | 135.7 Ų | 135.7 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | trans | -48.4 | 129.7 | 165.5 | 46.7 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 417 | N | 49.3 | Very low | 51.7 | Low | 152 Ų | 152 | 142.4 Ų | 142.4 | 81% | 0.813 | 82% | 0.817 | S | S | * | * | trans | -145.3 | 135.8 | 148.4 | -90.9 | -40.2 | 0 | 0 | 0 | 109.1 | ||||
| 418 | P | 60 | Low | 52.2 | Low | 110 Ų | 110 | 145.5 Ų | 145.5 | 71% | 0.714 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 155.4 | -175.8 | 32.1 | -34.1 | 0 | 0 | 0 | 111.5 | S420 | P418-S420 PolarHBondContact O-N 3.17Š|
| 419 | P | 56.8 | Low | 52.5 | Low | 128 Ų | 128 | 142.7 Ų | 142.7 | 83% | 0.831 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 126.6 | 179.7 | 29.2 | -32.2 | 0 | 0 | 0 | 111.2 | ||
| 420 | S | 54.2 | Low | 53 | Low | 111 Ų | 111 | 145.2 Ų | 145.2 | 78% | 0.776 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 135.5 | 166.3 | -38.4 | 0 | 0 | 0 | 0 | 110.1 | P418 | P418-S420 PolarHBondContact O-N 3.17Š|
| 421 | P | 67.3 | Low | 53.6 | Low | 115 Ų | 115 | 147.8 Ų | 147.8 | 75% | 0.747 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 150.2 | 175.1 | 29.9 | -32.2 | 0 | 0 | 0 | 111 | ||
| 422 | P | 67 | Low | 53.3 | Low | 108 Ų | 108 | 150.1 Ų | 150.1 | 70% | 0.701 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 153.6 | 177.5 | 29 | -33.4 | 0 | 0 | 0 | 111.3 | D424 | P422-D424 PolarHBondContact O-N 3.02Š|
| 423 | P | 57.4 | Low | 53.7 | Low | 107 Ų | 107 | 148.6 Ų | 148.6 | 70% | 0.695 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 125.1 | 179.5 | 28.1 | -32 | 0 | 0 | 0 | 110.5 | Y425 | P423-Y425 PolarHBondContact O-N 3.37Å; P423-Y425 VanDerWaalsContact O-N 3.13Å |
| 424 | D | 53 | Low | 54.8 | Low | 143 Ų | 143 | 149.4 Ų | 149.4 | 77% | 0.765 | 81% | 0.814 | S | S | * | * | trans | -58.9 | 108.2 | 169.4 | -72.2 | -46.2 | 0 | 0 | 0 | 109.8 | P422 F426 | P422-D424 PolarHBondContact O-N 3.02Å; D424-F426 HydrophobicContact CB-CD2 4.47Å; D424-F426 HydrophobicContact CB-CE2 4.44Å; D424-F426 PolarHBondContact O-N 2.66Å | ||
| 425 | Y | 54.5 | Low | 55.2 | Low | 221 Ų | 221 | 142.2 Ų | 142.2 | 87% | 0.867 | 81% | 0.806 | S | S | * | * | trans | -82.6 | 103.4 | 157.7 | -82.2 | -86.9 | 0 | 0 | 0 | 107.4 | P423 | P423-Y425 PolarHBondContact O-N 3.37Å; P423-Y425 VanDerWaalsContact O-N 3.13Å | ||
| 426 | F | 56 | Low | 56.2 | Low | 191 Ų | 191 | 143.4 Ų | 143.4 | 84% | 0.838 | 81% | 0.808 | S | S | * | * | trans | -58 | 138.3 | 170.3 | -86.1 | -97.6 | 0 | 0 | 0 | 111.3 | D424 | D424-F426 HydrophobicContact CB-CD2 4.47Å; D424-F426 HydrophobicContact CB-CE2 4.44Å; D424-F426 PolarHBondContact O-N 2.66Å | ||
| 427 | L | 49.6 | Very low | 56.8 | Low | 225 Ų | 225 | 146.5 Ų | 146.5 | 100% | 1.178 | 81% | 0.811 | S | S | * | * | trans | -94 | 0 | 152.6 | -101 | 154.4 | 0 | 0 | 0 | 108.4 |
Retrieved 427 of 427 residues in 111.9 ms
(Link to these results)