| 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 | 42.1 | Very low | 45.6 | Very low | 244 Ų | 244 | 156.2 Ų | 156.2 | 100% | 1.202 | 85% | 0.846 | S | S | * | * | 0 | 166.3 | 0 | -78.4 | 179.4 | 166.9 | 0 | 0 | 108.7 | |||||
| 2 | A | 46.6 | Very low | 45.2 | Very low | 100 Ų | 100 | 153.1 Ų | 153.1 | 83% | 0.826 | 85% | 0.845 | S | S | * | * | trans | 65 | 110 | -163.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 3 | Q | 40.7 | Very low | 44.8 | Very low | 162 Ų | 162 | 150.8 Ų | 150.8 | 76% | 0.757 | 84% | 0.838 | S | S | * | * | trans | -125.6 | 129.3 | 176.4 | 176.3 | -171 | 24.3 | 0 | 0 | 106.4 | ||||
| 4 | F | 54.1 | Low | 44.5 | Very low | 205 Ų | 205 | 153.1 Ų | 153.1 | 90% | 0.899 | 84% | 0.839 | S | S | * | * | trans | -133.4 | 132.9 | 171.4 | -88.4 | -84.2 | 0 | 0 | 0 | 109.3 | ||||
| 5 | Q | 48.7 | Very low | 44.2 | Very low | 155 Ų | 155 | 152.7 Ų | 152.7 | 72% | 0.724 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -103 | 146.7 | 176.8 | -66.5 | -171.5 | -3 | 0 | 0 | 110.5 | ||
| 6 | P | 51.3 | Low | 44.2 | Very low | 126 Ų | 126 | 150.6 Ų | 150.6 | 82% | 0.818 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 139.8 | 169.1 | 32 | -33.1 | 0 | 0 | 0 | 111 | ||
| 7 | I | 55.2 | Low | 44.4 | Very low | 156 Ų | 156 | 146.9 Ų | 146.9 | 80% | 0.8 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -88.3 | 131.1 | 175.9 | -65.7 | 171.1 | 0 | 0 | 0 | 109.6 | ||
| 8 | S | 37.7 | Very low | 44.8 | Very low | 113 Ų | 113 | 148.4 Ų | 148.4 | 79% | 0.79 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 128.7 | 171.4 | -64.3 | 0 | 0 | 0 | 0 | 111.4 | ||
| 9 | L | 45 | Very low | 45.1 | Very low | 165 Ų | 165 | 149 Ų | 149 | 86% | 0.864 | 81% | 0.814 | S | S | * | * | trans | -116.6 | 100 | 171.5 | -95.3 | 166 | 0 | 0 | 0 | 110.4 | ||||
| 10 | S | 37.4 | Very low | 45.3 | Very low | 112 Ų | 112 | 145 Ų | 145 | 78% | 0.783 | 80% | 0.797 | S | S | * | * | trans | -106.8 | 100.3 | 176 | 53.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 11 | Q | 42.4 | Very low | 45.9 | Very low | 180 Ų | 180 | 142.6 Ų | 142.6 | 84% | 0.841 | 79% | 0.786 | S | S | * | * | trans | -136 | 117 | 162.9 | -78.6 | -168.8 | -5 | 0 | 0 | 110.1 | ||||
| 12 | S | 41.4 | Very low | 46.7 | Very low | 119 Ų | 119 | 138 Ų | 138 | 83% | 0.832 | 76% | 0.762 | S | S | * | * | trans | -90.9 | 107.2 | 173.4 | 51.8 | 0 | 0 | 0 | 0 | 110.1 | Q14 | S12-Q14 PolarHBondContact O-N 2.88Š| ||
| 13 | V | 39.5 | Very low | 47.4 | Very low | 124 Ų | 124 | 139.5 Ų | 139.5 | 75% | 0.752 | 75% | 0.752 | S | S | * | * | trans | -74.5 | 116.8 | 174.7 | -179.9 | 0 | 0 | 0 | 0 | 109.6 | L15 | V13-L15 HydrophobicContact CG1-CD1 4.27Å; V13-L15 PolarHBondContact O-N 2.86Å | ||
| 14 | Q | 40.3 | Very low | 48.6 | Very low | 183 Ų | 183 | 138.1 Ų | 138.1 | 86% | 0.855 | 75% | 0.745 | S | S | * | * | trans | -90.1 | 101.6 | -176.1 | -173.9 | 172 | -3.1 | 0 | 0 | 111 | S12 | S12-Q14 PolarHBondContact O-N 2.88Š| ||
| 15 | L | 40.9 | Very low | 49.2 | Very low | 146 Ų | 146 | 134.3 Ų | 134.3 | 76% | 0.764 | 73% | 0.73 | S | S | * | * | trans | -74.3 | 130.8 | 173.4 | -85.6 | 75.2 | 0 | 0 | 0 | 110.9 | V13 | V13-L15 HydrophobicContact CG1-CD1 4.27Å; V13-L15 PolarHBondContact O-N 2.86Å | ||
| 16 | P | 44 | Very low | 49.7 | Very low | 120 Ų | 120 | 134 Ų | 134 | 78% | 0.779 | 73% | 0.729 | S | S | * | * | trans | -74.7 | 131 | 170.7 | 30.1 | -33.1 | 0 | 0 | 0 | 111.1 | Q18 | P16-Q18 PolarHBondContact O-N 3.43Š| ||
| 17 | S | 47.1 | Very low | 50.3 | Low | 87 Ų | 87 | 133.8 Ų | 133.8 | 61% | 0.608 | 72% | 0.717 | S | S | * | * | trans | -81.1 | 108.2 | 179.3 | 48.2 | 0 | 0 | 0 | 0 | 111.7 | Q19 S20 | S17-Q19 PolarHBondContact O-N 2.91Å; S17-S20 PolarHBondContact O-N 3.41Å; S17-S20 PolarHBondContact O-OG 3.02Å | ||
| 18 | Q | 51.8 | Low | 50.5 | Low | 174 Ų | 174 | 132.6 Ų | 132.6 | 81% | 0.813 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.7 | -23.4 | -179.6 | -79.1 | -155.1 | 46.5 | 0 | 0 | 114.9 | P16 S20 V21 | P16-Q18 PolarHBondContact O-N 3.43Å; Q18-S20 PolarHBondContact O-N 3.12Å; Q18-V21 PolarHBondContact O-N 3.18Å |
| 19 | Q | 50.2 | Low | 51.3 | Low | 160 Ų | 160 | 132.9 Ų | 132.9 | 75% | 0.748 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -60.8 | -25.9 | -177.6 | -159.2 | 171.5 | 22.3 | 0 | 0 | 113.7 | S17 | S17-Q19 PolarHBondContact O-N 2.91Å |
| 20 | S | 50.5 | Low | 51.5 | Low | 69 Ų | 69 | 132 Ų | 132 | 48% | 0.483 | 70% | 0.695 | S | S | . | * | H | α-helix | trans | -69.5 | -46.7 | 176.1 | 54.7 | 0 | 0 | 0 | 0 | 112.8 | S17 Q18 Q22 Q23 Q24 | S17-S20 PolarHBondContact O-N 3.41Å; S17-S20 PolarHBondContact O-OG 3.02Å; Q18-S20 PolarHBondContact O-N 3.12Å; S20-Q22 PolarHBondContact O-N 3Å; S20-Q23 PolarHBondContact O-N 2.95Å; S20-Q24 PolarHBondContact O-N 3.07Å |
| 21 | V | 57.1 | Low | 52.3 | Low | 95 Ų | 95 | 134.4 Ų | 134.4 | 58% | 0.576 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -63.8 | -43.5 | -174.3 | -171.3 | 0 | 0 | 0 | 0 | 111.3 | Q18 Q23 Q24 Q25 | Q18-V21 PolarHBondContact O-N 3.18Å; V21-Q23 VanDerWaalsContact C-N 3.34Å; V21-Q23 PolarHBondContact O-N 3.41Å; V21-Q24 PolarHBondContact O-N 3.09Å; V21-Q25 PolarHBondContact O-N 3.48Å |
| 22 | Q | 57.8 | Low | 52.6 | Low | 146 Ų | 146 | 133.4 Ų | 133.4 | 68% | 0.682 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -66 | -35.4 | 179.2 | -169.8 | 173.2 | 70.9 | 0 | 0 | 112.3 | S20 Q26 | S20-Q22 PolarHBondContact O-N 3Å; Q22-Q26 PolarHBondContact O-N 3.48Å |
| 23 | Q | 63 | Low | 52.6 | Low | 133 Ų | 133 | 134.7 Ų | 134.7 | 62% | 0.621 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -72.7 | -30.7 | 176.5 | -168.9 | 173.2 | 96.2 | 0 | 0 | 112.4 | S20 V21 Q27 | S20-Q23 PolarHBondContact O-N 2.95Å; V21-Q23 VanDerWaalsContact C-N 3.34Å; V21-Q23 PolarHBondContact O-N 3.41Å; Q23-Q27 PolarHBondContact O-N 3.33Å |
| 24 | Q | 65.2 | Low | 52.4 | Low | 133 Ų | 133 | 134 Ų | 134 | 62% | 0.621 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -72.8 | -41.5 | 174.7 | -163.9 | 172.7 | 22 | 0 | 0 | 111.9 | S20 V21 Q26 Q27 Q28 | S20-Q24 PolarHBondContact O-N 3.07Å; V21-Q24 PolarHBondContact O-N 3.09Å; Q24-Q26 VanDerWaalsContact C-N 3.34Å; Q24-Q26 PolarHBondContact O-N 3.38Å; Q24-Q27 PolarHBondContact O-N 3.48Å; Q24-Q28 PolarHBondContact O-N 3.5Å |
| 25 | Q | 66.9 | Low | 52.1 | Low | 125 Ų | 125 | 130.1 Ų | 130.1 | 58% | 0.584 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -63.2 | -38.4 | 176.2 | -170.1 | 172.6 | 62.6 | 0 | 0 | 112.1 | V21 Q27 Q28 I29 | V21-Q25 PolarHBondContact O-N 3.48Å; Q25-Q27 VanDerWaalsContact C-N 3.3Å; Q25-Q27 PolarHBondContact O-N 3.12Å; Q25-Q28 PolarHBondContact O-N 3.06Å; Q25-I29 PolarHBondContact O-N 3.43Å |
| 26 | Q | 59.2 | Low | 51.8 | Low | 147 Ų | 147 | 131 Ų | 131 | 69% | 0.687 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -66.6 | -29.2 | 176.2 | -167.2 | 169.5 | 96.4 | 0 | 0 | 113 | Q22 Q24 L30 | Q22-Q26 PolarHBondContact O-N 3.48Å; Q24-Q26 VanDerWaalsContact C-N 3.34Å; Q24-Q26 PolarHBondContact O-N 3.38Å; Q26-L30 PolarHBondContact O-N 3.31Å |
| 27 | Q | 63.5 | Low | 51.5 | Low | 122 Ų | 122 | 135.7 Ų | 135.7 | 57% | 0.57 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -73.9 | -33.8 | 174.1 | -78 | -177.9 | 69.3 | 0 | 0 | 113.4 | Q23 Q24 Q25 Q31 | Q23-Q27 PolarHBondContact O-N 3.33Å; Q24-Q27 PolarHBondContact O-N 3.48Å; Q25-Q27 VanDerWaalsContact C-N 3.3Å; Q25-Q27 PolarHBondContact O-N 3.12Å; Q27-Q31 PolarHBondContact O-N 3.15Å |
| 28 | Q | 58.8 | Low | 50.9 | Low | 132 Ų | 132 | 139.6 Ų | 139.6 | 62% | 0.617 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -65.9 | -43.8 | 175.6 | -76.9 | -174.7 | -23.2 | 0 | 0 | 112.1 | Q24 Q25 L30 Q31 | Q24-Q28 PolarHBondContact O-N 3.5Å; Q25-Q28 PolarHBondContact O-N 3.06Å; Q28-L30 VanDerWaalsContact C-N 3.27Å; Q28-L30 PolarHBondContact O-N 2.8Å; Q28-Q31 PolarHBondContact O-N 3.42Å; Q28-Q31 VanDerWaalsContact O-N 3.12Å |
| 29 | I | 55.8 | Low | 50 | Low | 118 Ų | 118 | 138.8 Ų | 138.8 | 61% | 0.605 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -61.3 | -36.9 | 179.7 | -66.3 | 168.4 | 0 | 0 | 0 | 111.4 | Q25 Q31 | Q25-I29 PolarHBondContact O-N 3.43Å; I29-Q31 VanDerWaalsContact C-N 3.27Å; I29-Q31 PolarHBondContact O-N 3.25Å |
| 30 | L | 49.3 | Very low | 49.4 | Very low | 148 Ų | 148 | 138.8 Ų | 138.8 | 78% | 0.775 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76 | -10.7 | -179.8 | -150.7 | 73 | 0 | 0 | 0 | 113.9 | Q26 Q28 | Q26-L30 PolarHBondContact O-N 3.31Å; Q28-L30 VanDerWaalsContact C-N 3.27Å; Q28-L30 PolarHBondContact O-N 2.8Å |
| 31 | Q | 54.2 | Low | 48.9 | Very low | 161 Ų | 161 | 141.2 Ų | 141.2 | 75% | 0.752 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.4 | -11.1 | -174.8 | -148.3 | 169.4 | 115.4 | 0 | 0 | 113.9 | Q27 Q28 I29 | Q27-Q31 PolarHBondContact O-N 3.15Å; Q28-Q31 PolarHBondContact O-N 3.42Å; Q28-Q31 VanDerWaalsContact O-N 3.12Å; I29-Q31 VanDerWaalsContact C-N 3.27Å; I29-Q31 PolarHBondContact O-N 3.25Å |
| 32 | Q | 47.8 | Very low | 48 | Very low | 160 Ų | 160 | 141.8 Ų | 141.8 | 75% | 0.748 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -92.1 | 2.2 | -177 | -74.6 | -169.3 | -13.9 | 0 | 0 | 115.8 | P34 | Q32-P34 WeakPolarHBondContact O-CD 3.49Š|
| 33 | N | 41.8 | Very low | 46.8 | Very low | 146 Ų | 146 | 142.9 Ų | 142.9 | 78% | 0.781 | 72% | 0.721 | S | S | * | * | trans | -122.1 | 80.8 | -178.6 | -79.3 | -85.9 | 0 | 0 | 0 | 114.8 | ||||
| 34 | P | 34.4 | Very low | 45.8 | Very low | 108 Ų | 108 | 143.6 Ų | 143.6 | 70% | 0.701 | 73% | 0.728 | S | S | * | * | trans | -118.3 | 53.4 | 172.4 | 41.7 | -30.6 | 0 | 0 | 0 | 114.1 | Q32 | Q32-P34 WeakPolarHBondContact O-CD 3.49Š| ||
| 35 | C | 34.5 | Very low | 44.4 | Very low | 103 Ų | 103 | 145 Ų | 145 | 70% | 0.696 | 73% | 0.732 | S | S | * | * | trans | -123 | 108.8 | 165.5 | -67.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 36 | Q | 35.6 | Very low | 43 | Very low | 163 Ų | 163 | 145 Ų | 145 | 76% | 0.762 | 74% | 0.743 | S | S | * | * | 55.9 | 85 | 78.2 | -73.3 | -71.3 | 15.6 | 0 | 0 | 113.7 | |||||
| 37 | Y | 36.4 | Very low | 42 | Very low | 220 Ų | 220 | 144 Ų | 144 | 86% | 0.863 | 74% | 0.738 | S | S | * | * | trans | -136.8 | 102.2 | 156.1 | -78.4 | -72.9 | 0 | 0 | 0 | 109.7 | ||||
| 38 | Q | 34.4 | Very low | 40.7 | Very low | 169 Ų | 169 | 146.6 Ų | 146.6 | 79% | 0.79 | 75% | 0.748 | S | S | * | * | trans | -66 | 148.1 | 168.7 | -175 | 72.9 | 12.2 | 0 | 0 | 109.5 | ||||
| 39 | L | 34.2 | Very low | 39.5 | Very low | 157 Ų | 157 | 144.9 Ų | 144.9 | 82% | 0.822 | 75% | 0.75 | S | S | * | * | trans | -78 | 133 | 170.9 | -69.2 | 105.6 | 0 | 0 | 0 | 111.2 | ||||
| 40 | E | 38 | Very low | 38.5 | Very low | 160 Ų | 160 | 144.4 Ų | 144.4 | 75% | 0.748 | 76% | 0.758 | S | S | * | * | trans | -141.5 | 120.1 | 160.9 | -95 | -60.2 | 155.3 | 0 | 0 | 108.8 | C42 | E40-C42 PolarHBondContact O-N 2.63Š| ||
| 41 | P | 39.9 | Very low | 37.7 | Very low | 120 Ų | 120 | 145.6 Ų | 145.6 | 78% | 0.779 | 76% | 0.764 | S | S | * | * | trans | -91.9 | 89.1 | -178.5 | 34.6 | -31.8 | 0 | 0 | 0 | 111.9 | D43 | P41-D43 PolarHBondContact O-N 2.82Š| ||
| 42 | C | 37.2 | Very low | 36.7 | Very low | 107 Ų | 107 | 144.9 Ų | 144.9 | 72% | 0.723 | 76% | 0.764 | S | S | * | * | trans | -74.3 | 104.7 | 177.6 | -70.1 | 0 | 0 | 0 | 0 | 113.1 | E40 I44 | E40-C42 PolarHBondContact O-N 2.63Å; C42-I44 PolarHBondContact O-N 3.5Å | ||
| 43 | D | 31.8 | Very low | 36.3 | Very low | 168 Ų | 168 | 142.7 Ų | 142.7 | 90% | 0.898 | 76% | 0.763 | S | S | * | * | trans | -71.3 | 110.4 | 167.9 | -135.5 | -33.7 | 0 | 0 | 0 | 110.1 | P41 | P41-D43 PolarHBondContact O-N 2.82Š| ||
| 44 | I | 41.9 | Very low | 35.9 | Very low | 148 Ų | 148 | 140.8 Ų | 140.8 | 76% | 0.759 | 76% | 0.761 | S | S | * | * | trans | -123.8 | 104.4 | 176.1 | -59.1 | -175.6 | 0 | 0 | 0 | 110.8 | C42 | C42-I44 PolarHBondContact O-N 3.5Š| ||
| 45 | K | 37.1 | Very low | 36.1 | Very low | 163 Ų | 163 | 142.8 Ų | 142.8 | 71% | 0.709 | 77% | 0.765 | S | S | * | * | trans | -71.2 | 127.8 | 177 | 178.5 | -178.4 | -179.2 | 179.9 | 0 | 111.3 | ||||
| 46 | P | 37.6 | Very low | 35.9 | Very low | 125 Ų | 125 | 143.1 Ų | 143.1 | 81% | 0.812 | 77% | 0.768 | S | S | * | * | trans | -75.3 | 128.2 | 177.3 | 30.2 | -33.6 | 0 | 0 | 0 | 111.1 | ||||
| 47 | Q | 38.8 | Very low | 35.9 | Very low | 126 Ų | 126 | 144.1 Ų | 144.1 | 59% | 0.589 | 77% | 0.773 | S | S | * | * | trans | -143.6 | 149.1 | 166 | -66.8 | -159.3 | -62.1 | 0 | 0 | 111.4 | ||||
| 48 | F | 35.7 | Very low | 35.6 | Very low | 177 Ų | 177 | 139.9 Ų | 139.9 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | trans | 66.2 | 156.9 | 170 | -48.7 | -63.3 | 0 | 0 | 0 | 116.6 | ||||
| 49 | S | 33.4 | Very low | 35.8 | Very low | 96 Ų | 96 | 140.1 Ų | 140.1 | 67% | 0.671 | 78% | 0.776 | S | S | * | * | cis | -179.7 | 148.4 | -43.6 | -100 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 50 | S | 34.1 | Very low | 35.8 | Very low | 108 Ų | 108 | 139.9 Ų | 139.9 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | trans | 39.5 | 109.3 | 155.9 | 60.1 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 51 | L | 34.1 | Very low | 35.5 | Very low | 173 Ų | 173 | 137.4 Ų | 137.4 | 91% | 0.906 | 78% | 0.775 | S | S | * | * | trans | -158.1 | 113.9 | 134.3 | -109.4 | 162.6 | 0 | 0 | 0 | 109.6 | ||||
| 52 | I | 32.6 | Very low | 35.3 | Very low | 146 Ų | 146 | 136.8 Ų | 136.8 | 75% | 0.749 | 77% | 0.77 | S | S | * | * | trans | -113 | 119.9 | 176.1 | -61.2 | 172.4 | 0 | 0 | 0 | 107.6 | ||||
| 53 | P | 39.2 | Very low | 35.4 | Very low | 114 Ų | 114 | 138.8 Ų | 138.8 | 74% | 0.74 | 77% | 0.773 | S | S | * | * | trans | -90.3 | 98.6 | 167 | 5.1 | 14.3 | 0 | 0 | 0 | 109.6 | ||||
| 54 | S | 33.1 | Very low | 35.7 | Very low | 106 Ų | 106 | 137.4 Ų | 137.4 | 74% | 0.741 | 77% | 0.766 | S | S | * | * | trans | -76.1 | 123.1 | 166.4 | -62.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 55 | I | 38.8 | Very low | 35.7 | Very low | 150 Ų | 150 | 134.9 Ų | 134.9 | 77% | 0.769 | 76% | 0.761 | S | S | * | * | trans | -115.2 | 109.2 | 171 | -57.7 | 179.2 | 0 | 0 | 0 | 108.5 | ||||
| 56 | S | 30.4 | Very low | 35.8 | Very low | 110 Ų | 110 | 134 Ų | 134 | 77% | 0.769 | 76% | 0.764 | S | S | * | * | trans | -119.8 | 119.5 | 166.3 | -57.1 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 57 | Q | 36.3 | Very low | 36.2 | Very low | 184 Ų | 184 | 136.1 Ų | 136.1 | 86% | 0.86 | 77% | 0.769 | S | S | * | * | trans | -128.4 | 112.6 | 168.8 | -74.2 | -165.8 | -8.6 | 0 | 0 | 109.5 | ||||
| 58 | T | 30.2 | Very low | 36.2 | Very low | 131 Ų | 131 | 136.9 Ų | 136.9 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | trans | -87.7 | 124.4 | 176.5 | -31.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 59 | L | 38.2 | Very low | 36.5 | Very low | 174 Ų | 174 | 136.9 Ų | 136.9 | 91% | 0.911 | 78% | 0.781 | S | S | * | * | trans | -132.2 | 143.8 | 159.8 | -80.6 | 178.3 | 0 | 0 | 0 | 110.2 | ||||
| 60 | N | 32.7 | Very low | 36.7 | Very low | 151 Ų | 151 | 138.8 Ų | 138.8 | 81% | 0.807 | 78% | 0.784 | S | S | * | * | trans | -94.6 | -179.1 | -172.3 | -105.7 | -21 | 0 | 0 | 0 | 111.7 | ||||
| 61 | S | 33.3 | Very low | 36.7 | Very low | 108 Ų | 108 | 140.2 Ų | 140.2 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | trans | 84.1 | 140 | 163.6 | -54.7 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 62 | T | 35.2 | Very low | 36.9 | Very low | 107 Ų | 107 | 136.7 Ų | 136.7 | 66% | 0.656 | 77% | 0.772 | S | S | * | * | cis | -164.8 | 139.4 | -7.1 | -99.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 63 | N | 38.3 | Very low | 37 | Very low | 150 Ų | 150 | 138.6 Ų | 138.6 | 80% | 0.802 | 78% | 0.778 | S | S | * | * | trans | 60.6 | 166.6 | 163.8 | -69.5 | -11.8 | 0 | 0 | 0 | 118.7 | ||||
| 64 | N | 39.4 | Very low | 36.8 | Very low | 139 Ų | 139 | 137.2 Ų | 137.2 | 74% | 0.743 | 78% | 0.784 | S | S | * | * | cis | -166.4 | 173.5 | -40.3 | -168.7 | 12.8 | 0 | 0 | 0 | 107.6 | ||||
| 65 | S | 40.7 | Very low | 36.8 | Very low | 94 Ų | 94 | 135.4 Ų | 135.4 | 66% | 0.657 | 78% | 0.782 | S | S | * | * | trans | 73.8 | 84.8 | 163.4 | -57.1 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 66 | N | 40.6 | Very low | 36.5 | Very low | 144 Ų | 144 | 136.9 Ų | 136.9 | 77% | 0.77 | 79% | 0.79 | S | S | * | * | 13.7 | 132.6 | 121.5 | -51.9 | -16.6 | 0 | 0 | 0 | 118.3 | |||||
| 67 | N | 45.2 | Very low | 36.7 | Very low | 171 Ų | 171 | 135 Ų | 135 | 91% | 0.914 | 79% | 0.788 | S | S | * | * | -161.7 | 172.4 | 103.2 | -96.3 | -30.5 | 0 | 0 | 0 | 112.3 | |||||
| 68 | N | 38.5 | Very low | 36.6 | Very low | 142 Ų | 142 | 131.4 Ų | 131.4 | 76% | 0.759 | 78% | 0.783 | S | S | * | * | trans | -131.5 | -175.5 | -159.8 | -163.4 | -2.6 | 0 | 0 | 0 | 111.5 | ||||
| 69 | M | 41.9 | Very low | 36.9 | Very low | 176 Ų | 176 | 131.8 Ų | 131.8 | 87% | 0.867 | 79% | 0.785 | S | S | * | * | trans | 85.4 | 110.3 | -172.6 | -49.8 | -157.1 | -59.5 | 0 | 0 | 113.1 | ||||
| 70 | N | 37.4 | Very low | 36.7 | Very low | 137 Ų | 137 | 126.6 Ų | 126.6 | 73% | 0.733 | 77% | 0.774 | S | S | * | * | cis | 89.8 | 146.3 | 19.4 | -156.5 | 17.8 | 0 | 0 | 0 | 115.8 | ||||
| 71 | L | 35.1 | Very low | 36.6 | Very low | 137 Ų | 137 | 123.8 Ų | 123.8 | 72% | 0.717 | 77% | 0.772 | S | S | * | * | trans | 65.6 | 114.2 | -177.5 | -91.9 | 61.5 | 0 | 0 | 0 | 115.1 | ||||
| 72 | S | 38 | Very low | 36.5 | Very low | 99 Ų | 99 | 126 Ų | 126 | 69% | 0.692 | 77% | 0.774 | S | S | * | * | 91.2 | 155.8 | 68.3 | 81.1 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 73 | Q | 35 | Very low | 36.3 | Very low | 187 Ų | 187 | 127.9 Ų | 127.9 | 87% | 0.874 | 78% | 0.777 | S | S | * | * | cis | -159.3 | 141.9 | 6.6 | -156.1 | 175.5 | 0.6 | 0 | 0 | 110.8 | ||||
| 74 | G | 33.7 | Very low | 36 | Very low | 84 Ų | 84 | 126.6 Ų | 126.6 | 87% | 0.866 | 78% | 0.775 | S | S | * | * | trans | 72.9 | 167.8 | 165 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 75 | G | 34.1 | Very low | 35.9 | Very low | 68 Ų | 68 | 125.5 Ų | 125.5 | 70% | 0.701 | 77% | 0.773 | S | S | * | * | cis | 171.7 | 113.8 | -10.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 76 | I | 33.3 | Very low | 35.4 | Very low | 181 Ų | 181 | 129.1 Ų | 129.1 | 93% | 0.928 | 78% | 0.784 | S | S | * | * | trans | 52.9 | 112.1 | 143.7 | -43.6 | 170.1 | 0 | 0 | 0 | 118.8 | ||||
| 77 | G | 33.5 | Very low | 35 | Very low | 71 Ų | 71 | 129.1 Ų | 129.1 | 73% | 0.732 | 78% | 0.784 | S | S | * | * | trans | 158.3 | 90.3 | 167 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 78 | S | 34.5 | Very low | 34.7 | Very low | 108 Ų | 108 | 127.9 Ų | 127.9 | 76% | 0.755 | 78% | 0.778 | S | S | * | * | cis | 79.5 | 126.7 | 49.5 | -162.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 79 | V | 36.7 | Very low | 34.8 | Very low | 140 Ų | 140 | 127.8 Ų | 127.8 | 85% | 0.848 | 78% | 0.782 | S | S | * | * | trans | 63.5 | 131.4 | -177.3 | -156.9 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 80 | G | 32.8 | Very low | 34.4 | Very low | 65 Ų | 65 | 126.1 Ų | 126.1 | 67% | 0.67 | 78% | 0.782 | S | S | * | * | cis | 130.2 | 158 | -0.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 81 | A | 31.8 | Very low | 34.3 | Very low | 92 Ų | 92 | 125.2 Ų | 125.2 | 76% | 0.76 | 79% | 0.786 | S | S | * | * | trans | 74.2 | 131.6 | 166.9 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 82 | L | 30.9 | Very low | 34.3 | Very low | 154 Ų | 154 | 122.2 Ų | 122.2 | 81% | 0.806 | 79% | 0.788 | S | S | * | * | trans | 90.5 | 121.6 | 146.6 | -64.5 | 163.7 | 0 | 0 | 0 | 122.2 | ||||
| 83 | M | 30.1 | Very low | 34.4 | Very low | 146 Ų | 146 | 125.2 Ų | 125.2 | 72% | 0.719 | 80% | 0.795 | S | S | * | * | trans | 77.3 | 123.3 | 132.7 | -70.2 | 174 | 69.6 | 0 | 0 | 121.6 | ||||
| 84 | T | 32.9 | Very low | 34.5 | Very low | 124 Ų | 124 | 124 Ų | 124 | 76% | 0.761 | 79% | 0.794 | S | S | * | * | trans | 66.2 | 146.1 | 148.8 | 52 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 85 | T | 36.9 | Very low | 34.7 | Very low | 116 Ų | 116 | 127.7 Ų | 127.7 | 71% | 0.712 | 79% | 0.794 | S | S | * | * | cis | -144.2 | 148.5 | 31.6 | -61.3 | 0 | 0 | 0 | 0 | 111.7 | D87 | T85-D87 HydrophobicContact CG2-CB 4.26Š| ||
| 86 | L | 31.4 | Very low | 34.7 | Very low | 169 Ų | 169 | 130.6 Ų | 130.6 | 89% | 0.885 | 80% | 0.798 | S | S | * | * | trans | -95.5 | 113.3 | 157.8 | -88 | 170 | 0 | 0 | 0 | 107.7 | ||||
| 87 | D | 31.8 | Very low | 34.9 | Very low | 144 Ų | 144 | 128.5 Ų | 128.5 | 77% | 0.77 | 79% | 0.794 | S | S | * | * | trans | -163 | 171 | 158.7 | -118.7 | -44.2 | 0 | 0 | 0 | 111.1 | T85 | T85-D87 HydrophobicContact CG2-CB 4.26Š| ||
| 88 | N | 38.1 | Very low | 35 | Very low | 146 Ų | 146 | 131.5 Ų | 131.5 | 78% | 0.781 | 80% | 0.798 | S | S | * | * | trans | 66 | 92.8 | -174.5 | -60.5 | -29.1 | 0 | 0 | 0 | 116 | ||||
| 89 | V | 40.7 | Very low | 34.9 | Very low | 140 Ų | 140 | 129.6 Ų | 129.6 | 85% | 0.848 | 80% | 0.796 | S | S | * | * | -152.2 | 106.3 | 99.2 | -178.5 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 90 | V | 33.4 | Very low | 35 | Very low | 141 Ų | 141 | 131.6 Ų | 131.6 | 86% | 0.855 | 80% | 0.796 | S | S | * | * | trans | -139.8 | 98.6 | 164.1 | 177.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 91 | S | 36 | Very low | 35 | Very low | 117 Ų | 117 | 137.9 Ų | 137.9 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | trans | -175.3 | 136.9 | 157.4 | -87.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 92 | G | 33.9 | Very low | 35.2 | Very low | 74 Ų | 74 | 140.1 Ų | 140.1 | 76% | 0.763 | 81% | 0.809 | S | S | * | * | trans | 85.5 | 142.6 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 93 | I | 41.8 | Very low | 35.9 | Very low | 163 Ų | 163 | 138.6 Ų | 138.6 | 84% | 0.836 | 81% | 0.806 | S | S | * | * | cis | -133.4 | 131.6 | 4.5 | -65.7 | 167.8 | 0 | 0 | 0 | 109.1 | ||||
| 94 | N | 35.2 | Very low | 36.5 | Very low | 162 Ų | 162 | 137 Ų | 137 | 87% | 0.866 | 81% | 0.809 | S | S | * | * | trans | -84.4 | 120.7 | 168.6 | -64.8 | -23.2 | 0 | 0 | 0 | 109.7 | ||||
| 95 | N | 38.4 | Very low | 37.1 | Very low | 160 Ų | 160 | 137.9 Ų | 137.9 | 86% | 0.856 | 81% | 0.806 | S | S | * | * | trans | -157.1 | 152.7 | 141.5 | -136.6 | -17.7 | 0 | 0 | 0 | 113.2 | ||||
| 96 | V | 34.1 | Very low | 37.4 | Very low | 129 Ų | 129 | 137.1 Ų | 137.1 | 78% | 0.782 | 80% | 0.798 | S | S | * | * | trans | -108.8 | 117.8 | -173 | 176.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 97 | T | 37.9 | Very low | 38.4 | Very low | 138 Ų | 138 | 136.7 Ų | 136.7 | 85% | 0.847 | 79% | 0.791 | S | S | * | * | trans | -136 | 134.1 | 157.2 | -54.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 98 | T | 36.6 | Very low | 39.5 | Very low | 133 Ų | 133 | 132.6 Ų | 132.6 | 82% | 0.816 | 78% | 0.777 | S | S | * | * | trans | -65.9 | 135.6 | -174.1 | 47.6 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 99 | G | 31.7 | Very low | 40.2 | Very low | 69 Ų | 69 | 129.4 Ų | 129.4 | 71% | 0.711 | 76% | 0.76 | S | S | * | * | trans | 105.9 | 82.4 | 135.3 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 100 | Q | 38.3 | Very low | 40.9 | Very low | 181 Ų | 181 | 126 Ų | 126 | 85% | 0.846 | 74% | 0.74 | S | S | * | * | trans | -154.3 | 140.8 | 136.2 | -112.1 | 163.3 | 27.8 | 0 | 0 | 111.9 | V102 | Q100-V102 PolarHBondContact O-N 3.41Š| ||
| 101 | F | 32.4 | Very low | 41.6 | Very low | 197 Ų | 197 | 121.9 Ų | 121.9 | 86% | 0.864 | 72% | 0.72 | S | S | * | * | trans | -46 | 107.6 | -167.3 | -59.4 | -93.6 | 0 | 0 | 0 | 116.3 | T103 | F101-T103 PolarHBondContact O-N 3.45Š| ||
| 102 | V | 35.9 | Very low | 42.3 | Very low | 139 Ų | 139 | 120.2 Ų | 120.2 | 84% | 0.842 | 71% | 0.708 | S | S | * | * | trans | -83.9 | 94.8 | 156.7 | -176.3 | 0 | 0 | 0 | 0 | 107.7 | Q100 S104 | Q100-V102 PolarHBondContact O-N 3.41Å; V102-S104 PolarHBondContact O-N 2.91Å | ||
| 103 | T | 45.8 | Very low | 43 | Very low | 122 Ų | 122 | 124 Ų | 124 | 75% | 0.748 | 71% | 0.71 | S | S | * | * | trans | -67 | 123.2 | 173.3 | -53.2 | 0 | 0 | 0 | 0 | 109.3 | F101 M105 | F101-T103 PolarHBondContact O-N 3.45Å; T103-M105 PolarHBondContact O-N 3.32Å | ||
| 104 | S | 42.4 | Very low | 43.3 | Very low | 112 Ų | 112 | 123.2 Ų | 123.2 | 78% | 0.783 | 71% | 0.707 | S | S | * | * | trans | -56.9 | 112.1 | 178.3 | -51.7 | 0 | 0 | 0 | 0 | 110.9 | V102 N106 | V102-S104 PolarHBondContact O-N 2.91Å; S104-N106 PolarHBondContact O-N 3.26Å | ||
| 105 | M | 46.2 | Very low | 43.5 | Very low | 143 Ų | 143 | 122.7 Ų | 122.7 | 70% | 0.704 | 70% | 0.701 | S | S | * | * | trans | -59.2 | 133.5 | 175.4 | -172.6 | 173.1 | -69.2 | 0 | 0 | 109.4 | T103 D109 | T103-M105 PolarHBondContact O-N 3.32Å; M105-D109 HydrophobicContact CG-CB 3.76Å; M105-D109 HydrophobicContact SD-CB 4.28Å | ||
| 106 | N | 44.5 | Very low | 43.6 | Very low | 101 Ų | 101 | 122.2 Ų | 122.2 | 54% | 0.54 | 70% | 0.699 | S | S | . | * | trans | -74.1 | 147.5 | -168.9 | -168.4 | -21.7 | 0 | 0 | 0 | 109.8 | S104 A108 D109 V110 | S104-N106 PolarHBondContact O-N 3.26Å; N106-A108 HydrophobicContact CB-CB 4.4Å; N106-A108 PolarHBondContact O-N 3.37Å; N106-A108 VanDerWaalsContact O-N 3.08Å; N106-A108 PolarHBondContact OD1-N 3.13Å; N106-D109 VanDerWaalsContact CB-OD2 3.28Å; N106-D109 WeakPolarHBondContact CB-OD2 3.27Å; N106-D109 PolarHBondContact N-OD2 3.42Å; N106-D109 WeakPolarHBondContact O-CB 3.28Å; N106-D109 PolarHBondContact O-N 3.42Å; N106-V110 PolarHBondContact O-N 2.93Å | ||
| 107 | H | 50.5 | Low | 43.8 | Very low | 160 Ų | 160 | 122 Ų | 122 | 74% | 0.741 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -57.3 | -23.4 | 171.1 | -84.2 | -81.3 | 0 | 0 | 0 | 112.5 | V110 A111 | H107-V110 WeakPolarHBondContact O-CG2 3.49Å; H107-A111 WeakPolarHBondContact O-CB 3.45Å; H107-A111 PolarHBondContact O-N 3.31Å |
| 108 | A | 56.6 | Low | 43.7 | Very low | 58 Ų | 58 | 120.3 Ų | 120.3 | 48% | 0.479 | 69% | 0.694 | S | S | . | * | H | α-helix | trans | -62.9 | -36.4 | 169.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | N106 A111 S112 | N106-A108 HydrophobicContact CB-CB 4.4Å; N106-A108 PolarHBondContact O-N 3.37Å; N106-A108 VanDerWaalsContact O-N 3.08Å; N106-A108 PolarHBondContact OD1-N 3.13Å; A108-A111 PolarHBondContact O-N 2.86Å; A108-S112 PolarHBondContact O-N 3.1Å |
| 109 | D | 51.3 | Low | 44.1 | Very low | 79 Ų | 79 | 123.8 Ų | 123.8 | 42% | 0.422 | 70% | 0.698 | S | S | . | * | H | α-helix | trans | -73.2 | -44.4 | -176.8 | -55.7 | -46.4 | 0 | 0 | 0 | 110.6 | M105 N106 A111 S112 L113 | M105-D109 HydrophobicContact CG-CB 3.76Å; M105-D109 HydrophobicContact SD-CB 4.28Å; N106-D109 VanDerWaalsContact CB-OD2 3.28Å; N106-D109 WeakPolarHBondContact CB-OD2 3.27Å; N106-D109 PolarHBondContact N-OD2 3.42Å; N106-D109 WeakPolarHBondContact O-CB 3.28Å; N106-D109 PolarHBondContact O-N 3.42Å; D109-A111 VanDerWaalsContact C-N 3.34Å; D109-S112 WeakPolarHBondContact O-CB 3.48Å; D109-S112 PolarHBondContact O-N 3.42Å; D109-S112 PolarHBondContact O-OG 2.94Å; D109-L113 PolarHBondContact O-N 3.49Å |
| 110 | V | 56.8 | Low | 44.5 | Very low | 69 Ų | 69 | 131.1 Ų | 131.1 | 42% | 0.418 | 70% | 0.704 | S | S | . | * | H | α-helix | trans | -70.4 | -27.7 | 172.8 | -70.4 | 0 | 0 | 0 | 0 | 112.9 | N106 H107 S112 L113 L114 | N106-V110 PolarHBondContact O-N 2.93Å; H107-V110 WeakPolarHBondContact O-CG2 3.49Å; V110-S112 VanDerWaalsContact C-N 3.33Å; V110-L113 WeakPolarHBondContact O-CB 3.29Å; V110-L113 PolarHBondContact O-N 2.95Å; V110-L114 PolarHBondContact O-N 2.92Å |
| 111 | A | 48.1 | Very low | 44.7 | Very low | 53 Ų | 53 | 126.2 Ų | 126.2 | 44% | 0.438 | 69% | 0.694 | S | S | . | * | H | α-helix | trans | -66.5 | -34.7 | 168.9 | 0 | 0 | 0 | 0 | 0 | 112 | H107 A108 D109 L113 L114 M115 | H107-A111 WeakPolarHBondContact O-CB 3.45Å; H107-A111 PolarHBondContact O-N 3.31Å; A108-A111 PolarHBondContact O-N 2.86Å; D109-A111 VanDerWaalsContact C-N 3.34Å; A111-L113 PolarHBondContact O-N 3.42Å; A111-L114 PolarHBondContact O-N 2.9Å; A111-L114 VanDerWaalsContact O-N 3.13Å; A111-M115 WeakPolarHBondContact O-CG 3.44Å; A111-M115 PolarHBondContact O-N 2.97Å |
| 112 | S | 50.5 | Low | 46 | Very low | 82 Ų | 82 | 121.3 Ų | 121.3 | 57% | 0.573 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -62.5 | -30.4 | 174.1 | 85.7 | 0 | 0 | 0 | 0 | 112.7 | A108 D109 V110 L114 | A108-S112 PolarHBondContact O-N 3.1Å; D109-S112 WeakPolarHBondContact O-CB 3.48Å; D109-S112 PolarHBondContact O-N 3.42Å; D109-S112 PolarHBondContact O-OG 2.94Å; V110-S112 VanDerWaalsContact C-N 3.33Å; S112-L114 VanDerWaalsContact C-N 3.32Å |
| 113 | L | 49 | Very low | 48 | Very low | 153 Ų | 153 | 119.6 Ų | 119.6 | 80% | 0.801 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -74.4 | -21.4 | 176.9 | -150.1 | 77.3 | 0 | 0 | 0 | 113.3 | D109 V110 A111 | D109-L113 PolarHBondContact O-N 3.49Å; V110-L113 WeakPolarHBondContact O-CB 3.29Å; V110-L113 PolarHBondContact O-N 2.95Å; A111-L113 PolarHBondContact O-N 3.42Å |
| 114 | L | 46.4 | Very low | 49.9 | Very low | 147 Ų | 147 | 114.7 Ų | 114.7 | 77% | 0.77 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -100.7 | -1.8 | -179.5 | -71.6 | 170.2 | 0 | 0 | 0 | 113.5 | V110 A111 S112 N116 | V110-L114 PolarHBondContact O-N 2.92Å; A111-L114 PolarHBondContact O-N 2.9Å; A111-L114 VanDerWaalsContact O-N 3.13Å; S112-L114 VanDerWaalsContact C-N 3.32Å; L114-N116 PolarHBondContact O-N 3.43Å |
| 115 | M | 41 | Very low | 51.9 | Low | 151 Ų | 151 | 113.1 Ų | 113.1 | 74% | 0.744 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -72 | 117.2 | 171.5 | -60.3 | -144.2 | 80.9 | 0 | 0 | 109.6 | A111 | A111-M115 WeakPolarHBondContact O-CG 3.44Å; A111-M115 PolarHBondContact O-N 2.97Å |
| 116 | N | 39.2 | Very low | 53.7 | Low | 151 Ų | 151 | 110.6 Ų | 110.6 | 81% | 0.807 | 61% | 0.606 | S | S | * | * | trans | -46.2 | 135 | 172.7 | -91.7 | -51.2 | 0 | 0 | 0 | 110.6 | L114 S118 | L114-N116 PolarHBondContact O-N 3.43Å; N116-S118 PolarHBondContact O-N 3.33Å | ||
| 117 | P | 38.4 | Very low | 55.7 | Low | 124 Ų | 124 | 109.3 Ų | 109.3 | 81% | 0.805 | 60% | 0.599 | S | S | * | * | trans | -72.2 | 74.7 | 178.5 | 30.2 | -35.3 | 0 | 0 | 0 | 110.5 | K119 | P117-K119 PolarHBondContact O-N 3.12Š| ||
| 118 | S | 37 | Very low | 57.6 | Low | 103 Ų | 103 | 102 Ų | 102 | 72% | 0.72 | 57% | 0.566 | S | S | * | * | trans | -58.4 | 104 | -176.4 | -176.2 | 0 | 0 | 0 | 0 | 110.7 | N116 R120 | N116-S118 PolarHBondContact O-N 3.33Å; S118-R120 PolarHBondContact O-N 2.83Å | ||
| 119 | K | 44.8 | Very low | 59.2 | Low | 205 Ų | 205 | 99.4 Ų | 99.4 | 89% | 0.891 | 54% | 0.544 | S | S | * | . | trans | 20.9 | 46.4 | 169.9 | -62.5 | -174.7 | -179.5 | 179.9 | 0 | 116 | P117 A121 | P117-K119 PolarHBondContact O-N 3.12Å; K119-A121 VanDerWaalsContact C-N 3.26Å; K119-A121 PolarHBondContact O-N 3.26Å | ||
| 120 | R | 38.9 | Very low | 61 | Low | 224 Ų | 224 | 98.5 Ų | 98.5 | 85% | 0.845 | 54% | 0.536 | S | S | * | . | trans | -71.1 | 88 | 178.6 | -176.3 | 179.9 | -74.1 | 168.3 | -1.8 | 107.5 | S118 | S118-R120 PolarHBondContact O-N 2.83Š| ||
| 121 | A | 44 | Very low | 62.6 | Low | 78 Ų | 78 | 96.3 Ų | 96.3 | 65% | 0.645 | 52% | 0.523 | S | S | * | . | trans | -45.5 | 139.2 | -173.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | K119 T123 | K119-A121 VanDerWaalsContact C-N 3.26Å; K119-A121 PolarHBondContact O-N 3.26Å; A121-T123 VanDerWaalsContact C-N 3.25Å; A121-T123 PolarHBondContact O-N 3.4Å | ||
| 122 | E | 58.1 | Low | 64.8 | Low | 93 Ų | 93 | 93.8 Ų | 93.8 | 44% | 0.435 | 50% | 0.502 | S | S | . | . | trans | -61.2 | 84.1 | -169.1 | -75.2 | -160.1 | 69.2 | 0 | 0 | 113.6 | F124 R175 Q179 K183 | E122-F124 HydrophobicContact CB-CE2 4.43Å; E122-F124 PolarHBondContact O-N 2.93Å; E122-R175 IonicContact OE1-CZ 3.02Å; E122-R175 IonicContact OE1-NH1 3.16Å; E122-R175 PolarHBondContact OE1-NH1 3.43Å; E122-Q179 PolarHBondContact OE1-NE2 3.32Å; E122-Q179 VanDerWaalsContact OE1-NE2 3.07Å; E122-Q179 WeakPolarHBondContact OE2-CG 3.41Å; E122-Q179 PolarHBondContact OE2-NE2 3.03Å; E122-K183 PolarHBondContact O-NZ 3.41Å | ||
| 123 | T | 78.2 | Confident | 66.8 | Low | 103 Ų | 103 | 90.6 Ų | 90.6 | 63% | 0.632 | 48% | 0.478 | S | S | * | . | P | Polyproline II helix | trans | -72.8 | 117.1 | 169.5 | 41 | 0 | 0 | 0 | 0 | 106.6 | A121 R175 | A121-T123 VanDerWaalsContact C-N 3.25Å; A121-T123 PolarHBondContact O-N 3.4Å; T123-R175 PolarHBondContact O-NH2 2.96Å |
| 124 | F | 85.5 | Confident | 68.9 | Low | 20 Ų | 20 | 90 Ų | 90 | 9% | 0.088 | 47% | 0.47 | C | S | . | . | P | Polyproline II helix | trans | -90.6 | 135.8 | 166 | -73.5 | -133.9 | 0 | 0 | 0 | 105.4 | E122 E128 V129 M132 M165 R175 Q179 V180 K183 | E122-F124 HydrophobicContact CB-CE2 4.43Å; E122-F124 PolarHBondContact O-N 2.93Å; F124-E128 WeakPolarHBondContact CA-OE2 3.33Å; F124-E128 HydrophobicContact CB-CG 4.42Å; F124-E128 WeakPolarHBondContact CB-OE2 3.32Å; F124-E128 HydrophobicContact CD1-CG 4.03Å; F124-V129 HydrophobicContact CB-CG2 3.48Å; F124-V129 VanDerWaalsContact CB-CG2 3.48Å; F124-V129 HydrophobicContact CD1-CG2 4.37Å; F124-V129 HydrophobicContact CG-CG2 4.33Å; F124-M132 HydrophobicContact CD1-SD 4.47Å; F124-M132 HydrophobicContact CE1-SD 4.22Å; F124-M165 HydrophobicContact CD1-CE 4.16Å; F124-M165 HydrophobicContact CE1-CE 4.02Å; F124-R175 HydrophobicContact CE1-CG 4.02Å; F124-R175 HydrophobicContact CZ-CG 4.02Å; F124-Q179 HydrophobicContact CZ-CB 4.39Å; F124-V180 HydrophobicContact CE1-CG2 4.41Å; F124-K183 HydrophobicContact CB-CD 4.44Å; F124-K183 HydrophobicContact CD1-CB 4.39Å; F124-K183 HydrophobicContact CD1-CD 4.42Å; F124-K183 HydrophobicContact CD1-CG 3.85Å; F124-K183 HydrophobicContact CD2-CB 4.4Å; F124-K183 HydrophobicContact CD2-CD 3.65Å; F124-K183 HydrophobicContact CD2-CG 3.93Å; F124-K183 HydrophobicContact CE1-CB 3.91Å; F124-K183 HydrophobicContact CE1-CG 3.89Å; F124-K183 HydrophobicContact CE2-CB 3.91Å; F124-K183 HydrophobicContact CE2-CD 3.93Å; F124-K183 HydrophobicContact CE2-CG 3.96Å; F124-K183 HydrophobicContact CG-CD 3.92Å; F124-K183 HydrophobicContact CG-CG 3.87Å; F124-K183 HydrophobicContact CZ-CB 3.65Å; F124-K183 HydrophobicContact CZ-CD 4.43Å; F124-K183 HydrophobicContact CZ-CG 3.95Å |
| 125 | V | 85.7 | Confident | 71.1 | Confident | 79 Ų | 79 | 83.8 Ų | 83.8 | 48% | 0.479 | 44% | 0.436 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 150 | 176.2 | -176.2 | 0 | 0 | 0 | 0 | 108.8 | D127 E128 V129 | V125-D127 PolarHBondContact O-N 2.94Å; V125-E128 HydrophobicContact CB-CB 3.97Å; V125-E128 PolarHBondContact N-OE2 3.47Å; V125-E128 WeakPolarHBondContact O-CB 3.17Å; V125-E128 PolarHBondContact O-N 2.97Å; V125-E128 VanDerWaalsContact O-N 3.12Å; V125-V129 WeakPolarHBondContact O-CG2 3.42Å; V125-V129 PolarHBondContact O-N 2.89Å |
| 126 | I | 84 | Confident | 73.6 | Confident | 89 Ų | 89 | 76.6 Ų | 76.6 | 46% | 0.456 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -54.4 | -44.2 | -178 | -69.6 | 173.1 | 0 | 0 | 0 | 110.8 | V129 K130 | I126-V129 PolarHBondContact O-N 3.33Å; I126-K130 WeakPolarHBondContact O-CG 3.44Å; I126-K130 PolarHBondContact O-N 3.41Å |
| 127 | D | 86.2 | Confident | 76.1 | Confident | 74 Ų | 74 | 73 Ų | 73 | 40% | 0.396 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -77.2 | -26.4 | -179 | -53 | -58.6 | 0 | 0 | 0 | 113.6 | V125 V129 K130 V131 W169 | V125-D127 PolarHBondContact O-N 2.94Å; D127-V129 VanDerWaalsContact C-N 3.32Å; D127-K130 PolarHBondContact O-N 3.2Å; D127-K130 WeakPolarHBondContact OD1-CD 3.47Å; D127-K130 IonicContact OD1-NZ 3.34Å; D127-K130 PolarHBondContact OD1-NZ 3.41Å; D127-V131 WeakPolarHBondContact O-CG2 3.46Å; D127-V131 PolarHBondContact O-N 3Å; D127-W169 HydrophobicContact CB-CZ2 3.81Å |
| 128 | E | 89.8 | Confident | 78.6 | Confident | 7 Ų | 7 | 70.1 Ų | 70.1 | 3% | 0.033 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -61.1 | -42.2 | 165.8 | 178.7 | -172.9 | -171.2 | 0 | 0 | 110.3 | F124 V125 V131 M132 M165 R175 | F124-E128 WeakPolarHBondContact CA-OE2 3.33Å; F124-E128 HydrophobicContact CB-CG 4.42Å; F124-E128 WeakPolarHBondContact CB-OE2 3.32Å; F124-E128 HydrophobicContact CD1-CG 4.03Å; V125-E128 HydrophobicContact CB-CB 3.97Å; V125-E128 PolarHBondContact N-OE2 3.47Å; V125-E128 WeakPolarHBondContact O-CB 3.17Å; V125-E128 PolarHBondContact O-N 2.97Å; V125-E128 VanDerWaalsContact O-N 3.12Å; E128-V131 PolarHBondContact O-N 3.26Å; E128-M132 PolarHBondContact O-N 3.44Å; E128-M165 HydrophobicContact CG-CE 3.59Å; E128-R175 WeakPolarHBondContact OE1-CG 3.4Å; E128-R175 IonicContact OE1-CZ 3.91Å; E128-R175 IonicContact OE1-NE 2.74Å; E128-R175 PolarHBondContact OE1-NE 3.49Å; E128-R175 IonicContact OE1-NH2 2.76Å; E128-R175 PolarHBondContact OE1-NH2 3.42Å; E128-R175 VanDerWaalsContact OE1-NH2 3.15Å; E128-R175 IonicContact OE2-CZ 2.75Å; E128-R175 IonicContact OE2-NE 3.04Å; E128-R175 IonicContact OE2-NH2 2.74Å; E128-R175 PolarHBondContact OE2-NH2 3.32Å |
| 129 | V | 89.7 | Confident | 81.3 | Confident | 4 Ų | 4 | 66.9 Ų | 66.9 | 2% | 0.024 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -70.1 | -35.6 | 173.9 | -173.1 | 0 | 0 | 0 | 0 | 112 | F124 V125 I126 D127 V131 M132 L133 L187 T209 | F124-V129 HydrophobicContact CB-CG2 3.48Å; F124-V129 VanDerWaalsContact CB-CG2 3.48Å; F124-V129 HydrophobicContact CD1-CG2 4.37Å; F124-V129 HydrophobicContact CG-CG2 4.33Å; V125-V129 WeakPolarHBondContact O-CG2 3.42Å; V125-V129 PolarHBondContact O-N 2.89Å; I126-V129 PolarHBondContact O-N 3.33Å; D127-V129 VanDerWaalsContact C-N 3.32Å; V129-V131 VanDerWaalsContact C-N 3.29Å; V129-V131 PolarHBondContact O-N 3.06Å; V129-M132 HydrophobicContact CG1-CE 4.01Å; V129-M132 WeakPolarHBondContact O-CB 3.42Å; V129-M132 PolarHBondContact O-N 3.02Å; V129-L133 HydrophobicContact CG1-CD1 4.24Å; V129-L133 HydrophobicContact CG1-CG 4.25Å; V129-L133 VanDerWaalsContact O-CG 3.31Å; V129-L133 WeakPolarHBondContact O-CG 3.48Å; V129-L133 PolarHBondContact O-N 3.25Å; V129-L187 HydrophobicContact CG1-CD1 3.65Å; V129-T209 HydrophobicContact CB-CG2 4.21Å; V129-T209 HydrophobicContact CG1-CG2 3.48Å; V129-T209 VanDerWaalsContact CG1-CG2 3.48Å |
| 130 | K | 89.4 | Confident | 83.5 | Confident | 60 Ų | 60 | 60.1 Ų | 60.1 | 26% | 0.261 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -60.9 | -38.9 | 172.8 | -69.8 | 175.1 | -170.9 | 167.9 | 0 | 112.1 | I126 D127 K134 E208 | I126-K130 WeakPolarHBondContact O-CG 3.44Å; I126-K130 PolarHBondContact O-N 3.41Å; D127-K130 PolarHBondContact O-N 3.2Å; D127-K130 WeakPolarHBondContact OD1-CD 3.47Å; D127-K130 IonicContact OD1-NZ 3.34Å; D127-K130 PolarHBondContact OD1-NZ 3.41Å; K130-K134 WeakPolarHBondContact O-CG 3.45Å; K130-K134 PolarHBondContact O-N 2.85Å; K130-E208 WeakPolarHBondContact CE-OE1 3.37Å; K130-E208 WeakPolarHBondContact CE-OE2 3.44Å; K130-E208 IonicContact NZ-OE1 2.82Å; K130-E208 PolarHBondContact NZ-OE1 3.45Å; K130-E208 IonicContact NZ-OE2 3.97Å; K130-E208 PolarHBondContact NZ-OE2 3.17Å |
| 131 | V | 91.4 | Very high | 85.8 | Confident | 23 Ų | 23 | 55.8 Ų | 55.8 | 14% | 0.139 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65.2 | -47.9 | 172.3 | 170.6 | 0 | 0 | 0 | 0 | 110.8 | D127 E128 V129 L133 K134 E135 M165 R168 | D127-V131 WeakPolarHBondContact O-CG2 3.46Å; D127-V131 PolarHBondContact O-N 3Å; E128-V131 PolarHBondContact O-N 3.26Å; V129-V131 VanDerWaalsContact C-N 3.29Å; V129-V131 PolarHBondContact O-N 3.06Å; V131-L133 VanDerWaalsContact C-N 3.3Å; V131-L133 PolarHBondContact O-N 3.25Å; V131-K134 PolarHBondContact O-N 3.4Å; V131-K134 VanDerWaalsContact O-N 3.16Å; V131-E135 HydrophobicContact CG1-CG 4.38Å; V131-E135 PolarHBondContact O-N 3.03Å; V131-M165 HydrophobicContact CG1-CG 4Å; V131-R168 HydrophobicContact CG1-CB 4.19Å; V131-R168 HydrophobicContact CG1-CG 4.42Å |
| 132 | M | 93.2 | Very high | 88.1 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -52.9 | -46.2 | 177.3 | -170.8 | -174.4 | 83.9 | 0 | 0 | 112.2 | F124 E128 V129 E135 I136 V161 M165 V180 K183 W184 L187 | F124-M132 HydrophobicContact CD1-SD 4.47Å; F124-M132 HydrophobicContact CE1-SD 4.22Å; E128-M132 PolarHBondContact O-N 3.44Å; V129-M132 HydrophobicContact CG1-CE 4.01Å; V129-M132 WeakPolarHBondContact O-CB 3.42Å; V129-M132 PolarHBondContact O-N 3.02Å; M132-E135 PolarHBondContact O-N 3.5Å; M132-I136 HydrophobicContact CE-CD1 4.12Å; M132-I136 HydrophobicContact CG-CD1 3.78Å; M132-I136 WeakPolarHBondContact O-CB 3.49Å; M132-I136 WeakPolarHBondContact O-CG1 3.45Å; M132-I136 PolarHBondContact O-N 3.16Å; M132-I136 HydrophobicContact SD-CD1 4.48Å; M132-V161 HydrophobicContact CG-CG1 4.49Å; M132-M165 HydrophobicContact CB-CE 3.86Å; M132-M165 HydrophobicContact CB-SD 3.59Å; M132-M165 VanDerWaalsContact CB-SD 3.59Å; M132-M165 HydrophobicContact CG-CE 4.24Å; M132-M165 HydrophobicContact CG-SD 3.62Å; M132-V180 HydrophobicContact CG-CG1 3.87Å; M132-V180 HydrophobicContact SD-CG1 3.96Å; M132-K183 HydrophobicContact CE-CG 4.24Å; M132-K183 HydrophobicContact SD-CB 4.17Å; M132-K183 HydrophobicContact SD-CG 4.1Å; M132-W184 HydrophobicContact CE-CB 4.2Å; M132-W184 HydrophobicContact CE-CE3 4.49Å; M132-L187 HydrophobicContact CE-CD1 3.77Å |
| 133 | L | 92.6 | Very high | 89.7 | Confident | 14 Ų | 14 | 50.3 Ų | 50.3 | 7% | 0.073 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.8 | -40.4 | -180 | -67.1 | 172.7 | 0 | 0 | 0 | 112.4 | V129 V131 I136 E137 W184 A212 V213 | V129-L133 HydrophobicContact CG1-CD1 4.24Å; V129-L133 HydrophobicContact CG1-CG 4.25Å; V129-L133 VanDerWaalsContact O-CG 3.31Å; V129-L133 WeakPolarHBondContact O-CG 3.48Å; V129-L133 PolarHBondContact O-N 3.25Å; V131-L133 VanDerWaalsContact C-N 3.3Å; V131-L133 PolarHBondContact O-N 3.25Å; L133-I136 PolarHBondContact O-N 3.45Å; L133-E137 WeakPolarHBondContact O-CB 3.42Å; L133-E137 PolarHBondContact O-N 3.48Å; L133-W184 HydrophobicContact CD2-CE3 3.98Å; L133-W184 HydrophobicContact CD2-CZ3 3.61Å; L133-A212 HydrophobicContact CD1-CB 3.7Å; L133-V213 HydrophobicContact CD1-CG2 4.01Å; L133-V213 HydrophobicContact CD2-CG2 3.74Å |
| 134 | K | 92.6 | Very high | 90.2 | Very high | 142 Ų | 142 | 48.2 Ų | 48.2 | 62% | 0.617 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -63.9 | -42.6 | 176.2 | -71.6 | 174.8 | 179.3 | -176.8 | 0 | 112.5 | K130 V131 E137 A138 | K130-K134 WeakPolarHBondContact O-CG 3.45Å; K130-K134 PolarHBondContact O-N 2.85Å; V131-K134 PolarHBondContact O-N 3.4Å; V131-K134 VanDerWaalsContact O-N 3.16Å; K134-E137 PolarHBondContact O-N 3.43Å; K134-A138 PolarHBondContact O-N 3.41Å |
| 135 | E | 94.2 | Very high | 90.3 | Very high | 15 Ų | 15 | 48.7 Ų | 48.7 | 7% | 0.07 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -72.6 | -33.5 | 179.5 | -66.7 | -62 | 158.4 | 0 | 0 | 112.7 | V131 M132 E137 R139 V161 C164 R168 | V131-E135 HydrophobicContact CG1-CG 4.38Å; V131-E135 PolarHBondContact O-N 3.03Å; M132-E135 PolarHBondContact O-N 3.5Å; E135-E137 VanDerWaalsContact C-N 3.33Å; E135-R139 PolarHBondContact O-N 3.28Å; E135-R139 PolarHBondContact O-NH1 2.93Å; E135-R139 IonicContact OE2-CZ 3.15Å; E135-R139 IonicContact OE2-NH1 3.39Å; E135-R139 PolarHBondContact OE2-NH1 3Å; E135-V161 HydrophobicContact CB-CB 4.41Å; E135-V161 HydrophobicContact CB-CG1 3.98Å; E135-V161 HydrophobicContact CB-CG2 4.08Å; E135-C164 VanDerWaalsContact CD-CB 3.48Å; E135-C164 HydrophobicContact CG-CB 3.8Å; E135-R168 IonicContact OE1-CZ 3.15Å; E135-R168 IonicContact OE1-NE 2.66Å; E135-R168 PolarHBondContact OE1-NE 3.48Å; E135-R168 IonicContact OE1-NH2 2.68Å; E135-R168 PolarHBondContact OE1-NH2 3.03Å |
| 136 | I | 93.7 | Very high | 90.1 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.2 | -37.9 | 168.6 | -70 | 168.8 | 0 | 0 | 0 | 110.4 | M132 L133 R139 K140 L143 W158 V161 W184 F216 | M132-I136 HydrophobicContact CE-CD1 4.12Å; M132-I136 HydrophobicContact CG-CD1 3.78Å; M132-I136 WeakPolarHBondContact O-CB 3.49Å; M132-I136 WeakPolarHBondContact O-CG1 3.45Å; M132-I136 PolarHBondContact O-N 3.16Å; M132-I136 HydrophobicContact SD-CD1 4.48Å; L133-I136 PolarHBondContact O-N 3.45Å; I136-R139 CarbonylContact O-C 3.27Å; I136-R139 PolarHBondContact O-N 3.07Å; I136-K140 WeakPolarHBondContact O-CA 3.46Å; I136-K140 PolarHBondContact O-N 2.85Å; I136-L143 HydrophobicContact CB-CD1 4.28Å; I136-L143 HydrophobicContact CG1-CD1 4.19Å; I136-L143 HydrophobicContact CG2-CD1 4.14Å; I136-W158 HydrophobicContact CD1-CH2 3.87Å; I136-W158 HydrophobicContact CD1-CZ3 3.75Å; I136-W158 HydrophobicContact CG1-CH2 4.09Å; I136-W158 HydrophobicContact CG1-CZ3 3.82Å; I136-V161 HydrophobicContact CG1-CG1 4.19Å; I136-V161 HydrophobicContact CG1-CG2 4.28Å; I136-W184 HydrophobicContact CD1-CB 4.05Å; I136-W184 HydrophobicContact CD1-CD2 3.85Å; I136-W184 HydrophobicContact CD1-CE3 3.8Å; I136-W184 HydrophobicContact CD1-CG 3.98Å; I136-W184 HydrophobicContact CG2-CZ2 4.41Å; I136-F216 HydrophobicContact CG2-CE2 4.09Å; I136-F216 HydrophobicContact CG2-CZ 3.75Å |
| 137 | E | 90.4 | Very high | 90.1 | Very high | 77 Ų | 77 | 51.3 Ų | 51.3 | 36% | 0.36 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -67.1 | -43.2 | 178 | -159.9 | -170.1 | 160.2 | 0 | 0 | 112.8 | L133 K134 E135 R139 K140 F216 | L133-E137 WeakPolarHBondContact O-CB 3.42Å; L133-E137 PolarHBondContact O-N 3.48Å; K134-E137 PolarHBondContact O-N 3.43Å; E135-E137 VanDerWaalsContact C-N 3.33Å; E137-R139 PolarHBondContact O-N 3.45Å; E137-K140 HydrophobicContact CG-CD 3.84Å; E137-K140 VanDerWaalsContact CG-NZ 3.31Å; E137-K140 WeakPolarHBondContact O-CB 3.46Å; E137-K140 VanDerWaalsContact O-CD 3.24Å; E137-K140 WeakPolarHBondContact O-CD 3.44Å; E137-K140 WeakPolarHBondContact O-CE 3.32Å; E137-K140 WeakPolarHBondContact O-CG 3.36Å; E137-K140 PolarHBondContact O-N 2.95Å; E137-K140 IonicContact OE1-NZ 3.97Å; E137-K140 PolarHBondContact OE1-NZ 3.31Å; E137-F216 HydrophobicContact CB-CD2 4.3Å; E137-F216 HydrophobicContact CB-CE2 3.84Å; E137-F216 HydrophobicContact CG-CD2 4.2Å; E137-F216 HydrophobicContact CG-CE2 3.92Å |
| 138 | A | 92.1 | Very high | 90 | Very high | 62 Ų | 62 | 52.5 Ų | 52.5 | 51% | 0.512 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -55.5 | -36.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | K134 H141 | K134-A138 PolarHBondContact O-N 3.41Å; A138-H141 PolarHBondContact O-CE1 2.95Å; A138-H141 PolarHBondContact O-ND1 3.49Å |
| 139 | R | 93.1 | Very high | 89.7 | Confident | 36 Ų | 36 | 57 Ų | 57 | 14% | 0.136 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | 12.9 | -176.3 | -65 | 175.5 | -177 | 82.2 | -3.5 | 114.4 | E135 I136 E137 H141 I142 L143 E160 C164 | E135-R139 PolarHBondContact O-N 3.28Å; E135-R139 PolarHBondContact O-NH1 2.93Å; E135-R139 IonicContact OE2-CZ 3.15Å; E135-R139 IonicContact OE2-NH1 3.39Å; E135-R139 PolarHBondContact OE2-NH1 3Å; I136-R139 CarbonylContact O-C 3.27Å; I136-R139 PolarHBondContact O-N 3.07Å; E137-R139 PolarHBondContact O-N 3.45Å; R139-H141 PolarHBondContact O-N 3.31Å; R139-H141 VanDerWaalsContact O-N 3.12Å; R139-I142 PolarHBondContact O-N 3.12Å; R139-L143 HydrophobicContact CB-CD1 3.79Å; R139-L143 HydrophobicContact CB-CG 4.08Å; R139-L143 PolarHBondContact O-N 2.9Å; R139-E160 IonicContact CZ-OE2 3.92Å; R139-E160 VanDerWaalsContact CZ-OE2 3.29Å; R139-E160 IonicContact NE-OE2 2.96Å; R139-E160 PolarHBondContact NE-OE2 2.95Å; R139-E160 IonicContact NH2-OE2 3.81Å; R139-E160 PolarHBondContact NH2-OE2 2.93Å; R139-C164 PolarHBondContact NH2-SG 3.33Å |
| 140 | K | 90.5 | Very high | 89.6 | Confident | 62 Ų | 62 | 57.8 Ų | 57.8 | 27% | 0.27 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -55.9 | -34.5 | -173.6 | 63.8 | -167.2 | 159.5 | -169.4 | 0 | 114.1 | I136 E137 I142 L144 F216 H220 | I136-K140 WeakPolarHBondContact O-CA 3.46Å; I136-K140 PolarHBondContact O-N 2.85Å; E137-K140 HydrophobicContact CG-CD 3.84Å; E137-K140 VanDerWaalsContact CG-NZ 3.31Å; E137-K140 WeakPolarHBondContact O-CB 3.46Å; E137-K140 VanDerWaalsContact O-CD 3.24Å; E137-K140 WeakPolarHBondContact O-CD 3.44Å; E137-K140 WeakPolarHBondContact O-CE 3.32Å; E137-K140 WeakPolarHBondContact O-CG 3.36Å; E137-K140 PolarHBondContact O-N 2.95Å; E137-K140 IonicContact OE1-NZ 3.97Å; E137-K140 PolarHBondContact OE1-NZ 3.31Å; K140-I142 VanDerWaalsContact C-N 3.28Å; K140-I142 PolarHBondContact O-N 3.36Å; K140-L144 HydrophobicContact CB-CD1 3.97Å; K140-L144 HydrophobicContact CB-CG 4.26Å; K140-L144 VanDerWaalsContact O-CB 3.3Å; K140-L144 WeakPolarHBondContact O-CB 3.43Å; K140-L144 WeakPolarHBondContact O-CG 3.38Å; K140-L144 PolarHBondContact O-N 2.92Å; K140-F216 HydrophobicContact CB-CZ 4.34Å; K140-H220 VanDerWaalsContact CD-NE2 3.27Å; K140-H220 WeakPolarHBondContact CD-NE2 3.47Å; K140-H220 PolarHBondContact NZ-CE1 2.93Å; K140-H220 PolarHBondContact NZ-NE2 2.92Å |
| 141 | H | 87.8 | Confident | 89.6 | Confident | 134 Ų | 134 | 59.1 Ų | 59.1 | 62% | 0.62 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -64.1 | -27.7 | 177.9 | 62.4 | -85.2 | 0 | 0 | 0 | 113.5 | A138 R139 | A138-H141 PolarHBondContact O-CE1 2.95Å; A138-H141 PolarHBondContact O-ND1 3.49Å; R139-H141 PolarHBondContact O-N 3.31Å; R139-H141 VanDerWaalsContact O-N 3.12Å |
| 142 | I | 92 | Very high | 89.6 | Confident | 39 Ų | 39 | 66.8 Ų | 66.8 | 20% | 0.2 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -90.6 | -53.9 | 170.6 | -67.1 | 159.4 | 0 | 0 | 0 | 110.1 | R139 K140 L144 S145 L153 K154 A157 | R139-I142 PolarHBondContact O-N 3.12Å; K140-I142 VanDerWaalsContact C-N 3.28Å; K140-I142 PolarHBondContact O-N 3.36Å; I142-L144 PolarHBondContact O-N 3.36Å; I142-S145 WeakPolarHBondContact O-CB 3.44Å; I142-S145 PolarHBondContact O-N 3.34Å; I142-S145 PolarHBondContact O-OG 3.19Å; I142-L153 HydrophobicContact CG2-CB 3.81Å; I142-K154 HydrophobicContact CG2-CG 4.19Å; I142-K154 WeakPolarHBondContact O-CE 3.43Å; I142-A157 HydrophobicContact CB-CB 4.37Å; I142-A157 HydrophobicContact CG2-CB 3.78Å |
| 143 | L | 92.2 | Very high | 89.6 | Confident | 16 Ų | 16 | 71 Ų | 71 | 8% | 0.084 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -64.9 | -37.6 | -168.5 | -69.7 | 175.1 | 0 | 0 | 0 | 113.6 | I136 R139 A157 W158 V161 | I136-L143 HydrophobicContact CB-CD1 4.28Å; I136-L143 HydrophobicContact CG1-CD1 4.19Å; I136-L143 HydrophobicContact CG2-CD1 4.14Å; R139-L143 HydrophobicContact CB-CD1 3.79Å; R139-L143 HydrophobicContact CB-CG 4.08Å; R139-L143 PolarHBondContact O-N 2.9Å; L143-A157 HydrophobicContact CD2-CB 3.5Å; L143-A157 HydrophobicContact CG-CB 3.92Å; L143-W158 HydrophobicContact CD1-CH2 4.49Å; L143-W158 HydrophobicContact CD2-CD2 3.86Å; L143-W158 HydrophobicContact CD2-CE3 4.48Å; L143-W158 HydrophobicContact CD2-CG 4.04Å; L143-W158 HydrophobicContact CD2-CZ2 4.07Å; L143-V161 HydrophobicContact CD1-CG2 4.11Å |
| 144 | L | 88.1 | Confident | 89.7 | Confident | 59 Ų | 59 | 72 Ų | 72 | 31% | 0.309 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | -1.8 | -179 | -50.6 | -178.1 | 0 | 0 | 0 | 113.7 | K140 I142 W184 F216 H220 | K140-L144 HydrophobicContact CB-CD1 3.97Å; K140-L144 HydrophobicContact CB-CG 4.26Å; K140-L144 VanDerWaalsContact O-CB 3.3Å; K140-L144 WeakPolarHBondContact O-CB 3.43Å; K140-L144 WeakPolarHBondContact O-CG 3.38Å; K140-L144 PolarHBondContact O-N 2.92Å; I142-L144 PolarHBondContact O-N 3.36Å; L144-W184 HydrophobicContact CD2-CZ2 4.15Å; L144-F216 HydrophobicContact CD1-CE1 3.65Å; L144-F216 HydrophobicContact CD1-CZ 3.8Å; L144-F216 HydrophobicContact CD2-CE1 4.15Å; L144-F216 HydrophobicContact CD2-CZ 4.4Å; L144-F216 HydrophobicContact CG-CE1 4.43Å; L144-F216 HydrophobicContact CG-CZ 4.45Å; L144-H220 HydrophobicContact CD1-CB 3.75Å |
| 145 | S | 86.9 | Confident | 89.7 | Confident | 31 Ų | 31 | 73.9 Ų | 73.9 | 22% | 0.217 | 38% | 0.38 | C | S | . | . | trans | -62 | 137.9 | -176.5 | 63.1 | 0 | 0 | 0 | 0 | 111.8 | I142 T150 K154 | I142-S145 WeakPolarHBondContact O-CB 3.44Å; I142-S145 PolarHBondContact O-N 3.34Å; I142-S145 PolarHBondContact O-OG 3.19Å; S145-T150 WeakPolarHBondContact OG-CB 3.46Å; S145-T150 WeakPolarHBondContact OG-CG2 3.3Å; S145-T150 PolarHBondContact OG-OG1 2.68Å; S145-K154 VanDerWaalsContact O-CE 3.23Å; S145-K154 WeakPolarHBondContact O-CE 3.28Å; S145-K154 PolarHBondContact O-NZ 3.24Å; S145-K154 VanDerWaalsContact OG-CE 3.31Å; S145-K154 WeakPolarHBondContact OG-CE 3.3Å | ||
| 146 | L | 81.9 | Confident | 89.7 | Confident | 171 Ų | 171 | 79.6 Ų | 79.6 | 90% | 0.895 | 40% | 0.401 | S | S | * | . | trans | -80.8 | -19.2 | -179 | -63.2 | 177.3 | 0 | 0 | 0 | 113.3 | P148 | L146-P148 WeakPolarHBondContact O-CD 3.39Š| ||
| 147 | S | 84.6 | Confident | 89.8 | Confident | 52 Ų | 52 | 79.7 Ų | 79.7 | 36% | 0.364 | 40% | 0.401 | S | S | . | . | trans | -68.7 | 128.5 | -175.9 | 179.6 | 0 | 0 | 0 | 0 | 112.6 | S149 T150 K154 | S147-S149 PolarHBondContact O-N 2.95Å; S147-S149 PolarHBondContact OG-N 3.36Å; S147-S149 PolarHBondContact OG-OG 3.46Å; S147-T150 PolarHBondContact O-N 3.35Å; S147-T150 PolarHBondContact O-OG1 3.41Å; S147-K154 PolarHBondContact O-NZ 3.46Å | ||
| 148 | P | 83.1 | Confident | 90.1 | Very high | 98 Ų | 98 | 77.3 Ų | 77.3 | 64% | 0.636 | 39% | 0.389 | S | S | * | . | G | 310 helix | trans | -61.4 | -26.7 | 172.2 | -24.5 | 35.3 | 0 | 0 | 0 | 114.3 | L146 T150 N151 | L146-P148 WeakPolarHBondContact O-CD 3.39Å; P148-T150 PolarHBondContact O-N 3.22Å; P148-T150 VanDerWaalsContact O-N 3.1Å; P148-N151 WeakPolarHBondContact O-CB 3.46Å; P148-N151 PolarHBondContact O-N 2.96Å; P148-N151 PolarHBondContact O-ND2 3.03Å |
| 149 | S | 84.4 | Confident | 90.3 | Very high | 101 Ų | 101 | 79 Ų | 79 | 71% | 0.706 | 39% | 0.386 | S | S | * | . | G | 310 helix | trans | -59.7 | -25.3 | 179.4 | 65.4 | 0 | 0 | 0 | 0 | 113 | S147 N151 | S147-S149 PolarHBondContact O-N 2.95Å; S147-S149 PolarHBondContact OG-N 3.36Å; S147-S149 PolarHBondContact OG-OG 3.46Å; S149-N151 VanDerWaalsContact C-N 3.29Å; S149-N151 PolarHBondContact O-N 3.49Å |
| 150 | T | 87.5 | Confident | 90.5 | Very high | 22 Ų | 22 | 81.4 Ų | 81.4 | 14% | 0.135 | 40% | 0.399 | C | S | . | . | G | 310 helix | trans | -78.3 | -5 | 179.1 | 65.1 | 0 | 0 | 0 | 0 | 114 | S145 S147 P148 R152 L153 K154 | S145-T150 WeakPolarHBondContact OG-CB 3.46Å; S145-T150 WeakPolarHBondContact OG-CG2 3.3Å; S145-T150 PolarHBondContact OG-OG1 2.68Å; S147-T150 PolarHBondContact O-N 3.35Å; S147-T150 PolarHBondContact O-OG1 3.41Å; P148-T150 PolarHBondContact O-N 3.22Å; P148-T150 VanDerWaalsContact O-N 3.1Å; T150-R152 PolarHBondContact O-N 2.95Å; T150-R152 VanDerWaalsContact O-N 3.09Å; T150-L153 CarbonylContact O-C 3.53Å; T150-L153 WeakPolarHBondContact O-CA 3.49Å; T150-L153 WeakPolarHBondContact O-CB 3.32Å; T150-L153 PolarHBondContact O-N 2.72Å; T150-K154 PolarHBondContact O-N 3.46Å; T150-K154 WeakPolarHBondContact OG1-CE 3.47Å; T150-K154 PolarHBondContact OG1-NZ 2.95Å |
| 151 | N | 90 | Very high | 90.7 | Very high | 87 Ų | 87 | 78.5 Ų | 78.5 | 47% | 0.465 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -57.8 | -31.5 | -171.9 | -74.3 | -14.6 | 0 | 0 | 0 | 113.8 | P148 S149 R155 | P148-N151 WeakPolarHBondContact O-CB 3.46Å; P148-N151 PolarHBondContact O-N 2.96Å; P148-N151 PolarHBondContact O-ND2 3.03Å; S149-N151 VanDerWaalsContact C-N 3.29Å; S149-N151 PolarHBondContact O-N 3.49Å; N151-R155 PolarHBondContact O-N 3.19Å |
| 152 | R | 91.2 | Very high | 91 | Very high | 185 Ų | 185 | 72.5 Ų | 72.5 | 70% | 0.698 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -69.5 | -37.6 | 171.6 | -177.9 | 178.6 | 173.9 | -167 | -1.4 | 112.8 | T150 | T150-R152 PolarHBondContact O-N 2.95Å; T150-R152 VanDerWaalsContact O-N 3.09Å |
| 153 | L | 92.8 | Very high | 91.1 | Very high | 88 Ų | 88 | 74.4 Ų | 74.4 | 46% | 0.461 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -71.5 | -36.7 | 175.5 | -61.7 | 173.3 | 0 | 0 | 0 | 111.3 | I142 T150 R155 R156 A157 | I142-L153 HydrophobicContact CG2-CB 3.81Å; T150-L153 CarbonylContact O-C 3.53Å; T150-L153 WeakPolarHBondContact O-CA 3.49Å; T150-L153 WeakPolarHBondContact O-CB 3.32Å; T150-L153 PolarHBondContact O-N 2.72Å; L153-R155 PolarHBondContact O-N 3.44Å; L153-R156 PolarHBondContact O-N 3.08Å; L153-A157 WeakPolarHBondContact O-CB 3.21Å; L153-A157 PolarHBondContact O-N 3Å |
| 154 | K | 94.3 | Very high | 91.2 | Very high | 35 Ų | 35 | 75.1 Ų | 75.1 | 15% | 0.152 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -61.6 | -39.4 | 176 | -74.9 | 169.8 | 174.7 | 150.5 | 0 | 112.8 | I142 S145 S147 T150 A157 W158 | I142-K154 HydrophobicContact CG2-CG 4.19Å; I142-K154 WeakPolarHBondContact O-CE 3.43Å; S145-K154 VanDerWaalsContact O-CE 3.23Å; S145-K154 WeakPolarHBondContact O-CE 3.28Å; S145-K154 PolarHBondContact O-NZ 3.24Å; S145-K154 VanDerWaalsContact OG-CE 3.31Å; S145-K154 WeakPolarHBondContact OG-CE 3.3Å; S147-K154 PolarHBondContact O-NZ 3.46Å; T150-K154 PolarHBondContact O-N 3.46Å; T150-K154 WeakPolarHBondContact OG1-CE 3.47Å; T150-K154 PolarHBondContact OG1-NZ 2.95Å; K154-A157 PolarHBondContact O-N 2.93Å; K154-W158 PolarHBondContact O-N 3.42Å |
| 155 | R | 93.7 | Very high | 91.4 | Very high | 182 Ų | 182 | 72.6 Ų | 72.6 | 69% | 0.687 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -59.6 | -54.7 | 174.1 | -72.3 | -178.8 | -177.1 | 153.1 | 1 | 110.9 | N151 L153 A157 W158 E159 | N151-R155 PolarHBondContact O-N 3.19Å; L153-R155 PolarHBondContact O-N 3.44Å; R155-A157 VanDerWaalsContact C-N 3.32Å; R155-A157 PolarHBondContact O-N 3.34Å; R155-W158 PolarHBondContact O-N 3.18Å; R155-E159 VanDerWaalsContact C-OE1 3.32Å; R155-E159 WeakPolarHBondContact O-CG 3.48Å; R155-E159 PolarHBondContact O-N 3.25Å |
| 156 | R | 94.2 | Very high | 91.6 | Very high | 135 Ų | 135 | 71.6 Ų | 71.6 | 51% | 0.509 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -56 | -41.7 | 173.9 | -77 | -176.5 | 172.7 | 177 | -6.6 | 113.5 | L153 W158 E159 E160 | L153-R156 PolarHBondContact O-N 3.08Å; R156-W158 VanDerWaalsContact C-N 3.32Å; R156-W158 PolarHBondContact O-N 3.01Å; R156-E159 WeakPolarHBondContact CA-OE2 3.47Å; R156-E159 WeakPolarHBondContact O-CB 3.27Å; R156-E159 PolarHBondContact O-N 3.44Å; R156-E160 WeakPolarHBondContact O-CB 3.45Å; R156-E160 WeakPolarHBondContact O-CG 3.41Å; R156-E160 PolarHBondContact O-N 3.23Å |
| 157 | A | 95.5 | Very high | 92 | Very high | 1 Ų | 1 | 68.7 Ų | 68.7 | 1% | 0.008 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -66 | -32.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | I142 L143 L153 K154 R155 V161 | I142-A157 HydrophobicContact CB-CB 4.37Å; I142-A157 HydrophobicContact CG2-CB 3.78Å; L143-A157 HydrophobicContact CD2-CB 3.5Å; L143-A157 HydrophobicContact CG-CB 3.92Å; L153-A157 WeakPolarHBondContact O-CB 3.21Å; L153-A157 PolarHBondContact O-N 3Å; K154-A157 PolarHBondContact O-N 2.93Å; R155-A157 VanDerWaalsContact C-N 3.32Å; R155-A157 PolarHBondContact O-N 3.34Å; A157-V161 VanDerWaalsContact O-CG2 3.26Å; A157-V161 WeakPolarHBondContact O-CG2 3.33Å; A157-V161 PolarHBondContact O-N 3.42Å |
| 158 | W | 97.2 | Very high | 92.2 | Very high | 27 Ų | 27 | 73.4 Ų | 73.4 | 10% | 0.102 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -72.3 | -39.4 | 171 | -75.6 | 120.9 | 0 | 0 | 0 | 112.8 | I136 L143 K154 R155 R156 V161 A162 A177 V180 K181 W184 | I136-W158 HydrophobicContact CD1-CH2 3.87Å; I136-W158 HydrophobicContact CD1-CZ3 3.75Å; I136-W158 HydrophobicContact CG1-CH2 4.09Å; I136-W158 HydrophobicContact CG1-CZ3 3.82Å; L143-W158 HydrophobicContact CD1-CH2 4.49Å; L143-W158 HydrophobicContact CD2-CD2 3.86Å; L143-W158 HydrophobicContact CD2-CE3 4.48Å; L143-W158 HydrophobicContact CD2-CG 4.04Å; L143-W158 HydrophobicContact CD2-CZ2 4.07Å; K154-W158 PolarHBondContact O-N 3.42Å; R155-W158 PolarHBondContact O-N 3.18Å; R156-W158 VanDerWaalsContact C-N 3.32Å; R156-W158 PolarHBondContact O-N 3.01Å; W158-V161 PolarHBondContact O-N 3.47Å; W158-A162 PolarHBondContact O-N 3.44Å; W158-A177 HydrophobicContact CB-CB 4.08Å; W158-V180 HydrophobicContact CE3-CG1 3.97Å; W158-V180 HydrophobicContact CZ3-CG1 3.93Å; W158-K181 HydrophobicContact CD2-CB 3.93Å; W158-K181 HydrophobicContact CD2-CG 4.26Å; W158-K181 HydrophobicContact CE3-CB 4.17Å; W158-K181 HydrophobicContact CG-CB 4.33Å; W158-K181 HydrophobicContact CZ2-CB 4.45Å; W158-K181 HydrophobicContact CZ2-CG 4.19Å; W158-W184 HydrophobicContact CH2-CB 3.81Å; W158-W184 AromaticContact CH2-CD1 3.37Å; W158-W184 AromaticContact CH2-CG 3.62Å; W158-W184 HydrophobicContact CH2-CG 3.62Å; W158-W184 AromaticContact CZ2-CD1 3.68Å; W158-W184 HydrophobicContact CZ2-CG 4.36Å; W158-W184 HydrophobicContact CZ3-CB 4.29Å |
| 159 | E | 96.3 | Very high | 92.2 | Very high | 97 Ų | 97 | 72.8 Ų | 72.8 | 45% | 0.453 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -58 | -47.8 | 171.6 | -66.1 | 150.9 | -150.2 | 0 | 0 | 110.5 | R155 R156 A162 V163 A177 | R155-E159 VanDerWaalsContact C-OE1 3.32Å; R155-E159 WeakPolarHBondContact O-CG 3.48Å; R155-E159 PolarHBondContact O-N 3.25Å; R156-E159 WeakPolarHBondContact CA-OE2 3.47Å; R156-E159 WeakPolarHBondContact O-CB 3.27Å; R156-E159 PolarHBondContact O-N 3.44Å; E159-A162 PolarHBondContact O-N 2.89Å; E159-V163 WeakPolarHBondContact O-CG2 3.33Å; E159-V163 PolarHBondContact O-N 3.01Å; E159-A177 HydrophobicContact CG-CB 4.25Å |
| 160 | E | 95.7 | Very high | 91.9 | Very high | 88 Ų | 88 | 72.2 Ų | 72.2 | 41% | 0.411 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -62.6 | -43.3 | 176 | -77.6 | 179.9 | -129.9 | 0 | 0 | 113.1 | R139 R156 A162 V163 C164 | R139-E160 IonicContact CZ-OE2 3.92Å; R139-E160 VanDerWaalsContact CZ-OE2 3.29Å; R139-E160 IonicContact NE-OE2 2.96Å; R139-E160 PolarHBondContact NE-OE2 2.95Å; R139-E160 IonicContact NH2-OE2 3.81Å; R139-E160 PolarHBondContact NH2-OE2 2.93Å; R156-E160 WeakPolarHBondContact O-CB 3.45Å; R156-E160 WeakPolarHBondContact O-CG 3.41Å; R156-E160 PolarHBondContact O-N 3.23Å; E160-A162 VanDerWaalsContact C-N 3.3Å; E160-A162 PolarHBondContact O-N 2.89Å; E160-V163 PolarHBondContact O-N 3.34Å; E160-C164 WeakPolarHBondContact O-CB 3.38Å; E160-C164 PolarHBondContact O-N 2.94Å; E160-C164 PolarHBondContact O-SG 3.29Å; E160-C164 VanDerWaalsContact O-SG 3.33Å |
| 161 | V | 96.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 79.9 Ų | 79.9 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -59.8 | -44.1 | 175 | 171.9 | 0 | 0 | 0 | 0 | 110.2 | M132 E135 I136 L143 A157 W158 C164 M165 V180 | M132-V161 HydrophobicContact CG-CG1 4.49Å; E135-V161 HydrophobicContact CB-CB 4.41Å; E135-V161 HydrophobicContact CB-CG1 3.98Å; E135-V161 HydrophobicContact CB-CG2 4.08Å; I136-V161 HydrophobicContact CG1-CG1 4.19Å; I136-V161 HydrophobicContact CG1-CG2 4.28Å; L143-V161 HydrophobicContact CD1-CG2 4.11Å; A157-V161 VanDerWaalsContact O-CG2 3.26Å; A157-V161 WeakPolarHBondContact O-CG2 3.33Å; A157-V161 PolarHBondContact O-N 3.42Å; W158-V161 PolarHBondContact O-N 3.47Å; V161-C164 PolarHBondContact O-N 2.85Å; V161-M165 HydrophobicContact CG1-CG 4.42Å; V161-M165 HydrophobicContact CG1-SD 4.06Å; V161-M165 WeakPolarHBondContact O-CB 3.46Å; V161-M165 VanDerWaalsContact O-CG 3.27Å; V161-M165 WeakPolarHBondContact O-CG 3.31Å; V161-M165 PolarHBondContact O-N 3.27Å; V161-V180 HydrophobicContact CG1-CG1 3.7Å |
| 162 | A | 94.7 | Very high | 90.4 | Very high | 8 Ų | 8 | 77 Ų | 77 | 7% | 0.066 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -64.3 | -40.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | W158 E159 E160 M165 A166 V180 | W158-A162 PolarHBondContact O-N 3.44Å; E159-A162 PolarHBondContact O-N 2.89Å; E160-A162 VanDerWaalsContact C-N 3.3Å; E160-A162 PolarHBondContact O-N 2.89Å; A162-M165 PolarHBondContact O-N 3.46Å; A162-A166 WeakPolarHBondContact O-CB 3.46Å; A162-A166 PolarHBondContact O-N 2.94Å; A162-V180 HydrophobicContact CB-CG2 4.11Å |
| 163 | V | 93.6 | Very high | 89.9 | Confident | 80 Ų | 80 | 73.1 Ų | 73.1 | 49% | 0.485 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -65 | -46 | 174.3 | 170 | 0 | 0 | 0 | 0 | 111.4 | E159 E160 M165 A166 N167 | E159-V163 WeakPolarHBondContact O-CG2 3.33Å; E159-V163 PolarHBondContact O-N 3.01Å; E160-V163 PolarHBondContact O-N 3.34Å; V163-M165 VanDerWaalsContact C-N 3.32Å; V163-M165 PolarHBondContact O-N 3.02Å; V163-A166 PolarHBondContact O-N 3.44Å; V163-N167 WeakPolarHBondContact O-CB 3.41Å; V163-N167 PolarHBondContact O-N 2.82Å; V163-N167 PolarHBondContact O-OD1 2.82Å |
| 164 | C | 93.6 | Very high | 89.7 | Confident | 30 Ų | 30 | 77.8 Ų | 77.8 | 20% | 0.203 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -63.9 | -36.1 | 176.6 | -72 | 0 | 0 | 0 | 0 | 112.2 | E135 R139 E160 V161 R168 | E135-C164 VanDerWaalsContact CD-CB 3.48Å; E135-C164 HydrophobicContact CG-CB 3.8Å; R139-C164 PolarHBondContact NH2-SG 3.33Å; E160-C164 WeakPolarHBondContact O-CB 3.38Å; E160-C164 PolarHBondContact O-N 2.94Å; E160-C164 PolarHBondContact O-SG 3.29Å; E160-C164 VanDerWaalsContact O-SG 3.33Å; V161-C164 PolarHBondContact O-N 2.85Å; C164-R168 WeakPolarHBondContact O-CB 3.41Å; C164-R168 WeakPolarHBondContact O-CD 3.36Å; C164-R168 VanDerWaalsContact O-CG 3.27Å; C164-R168 WeakPolarHBondContact O-CG 3.33Å; C164-R168 PolarHBondContact O-N 2.68Å; C164-R168 VanDerWaalsContact O-N 3.15Å |
| 165 | M | 93.1 | Very high | 89.5 | Confident | 6 Ų | 6 | 77.8 Ų | 77.8 | 3% | 0.03 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -62.8 | -51 | 170.6 | -76.4 | 177.9 | 68.3 | 0 | 0 | 111.5 | F124 E128 V131 M132 V161 A162 V163 N167 R168 W169 V180 | F124-M165 HydrophobicContact CD1-CE 4.16Å; F124-M165 HydrophobicContact CE1-CE 4.02Å; E128-M165 HydrophobicContact CG-CE 3.59Å; V131-M165 HydrophobicContact CG1-CG 4Å; M132-M165 HydrophobicContact CB-CE 3.86Å; M132-M165 HydrophobicContact CB-SD 3.59Å; M132-M165 VanDerWaalsContact CB-SD 3.59Å; M132-M165 HydrophobicContact CG-CE 4.24Å; M132-M165 HydrophobicContact CG-SD 3.62Å; V161-M165 HydrophobicContact CG1-CG 4.42Å; V161-M165 HydrophobicContact CG1-SD 4.06Å; V161-M165 WeakPolarHBondContact O-CB 3.46Å; V161-M165 VanDerWaalsContact O-CG 3.27Å; V161-M165 WeakPolarHBondContact O-CG 3.31Å; V161-M165 PolarHBondContact O-N 3.27Å; A162-M165 PolarHBondContact O-N 3.46Å; V163-M165 VanDerWaalsContact C-N 3.32Å; V163-M165 PolarHBondContact O-N 3.02Å; M165-N167 VanDerWaalsContact C-N 3.31Å; M165-N167 PolarHBondContact O-N 3.34Å; M165-R168 CarbonylContact O-C 3.41Å; M165-R168 PolarHBondContact O-N 2.9Å; M165-R168 VanDerWaalsContact O-N 3.14Å; M165-W169 PolarHBondContact O-N 3.44Å; M165-V180 HydrophobicContact CE-CG2 4.28Å; M165-V180 HydrophobicContact SD-CG1 3.95Å; M165-V180 HydrophobicContact SD-CG2 3.69Å |
| 166 | A | 90.7 | Very high | 89.4 | Confident | 11 Ų | 11 | 72.6 Ų | 72.6 | 9% | 0.091 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -61.9 | -35.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113 | A162 V163 W169 R174 | A162-A166 WeakPolarHBondContact O-CB 3.46Å; A162-A166 PolarHBondContact O-N 2.94Å; V163-A166 PolarHBondContact O-N 3.44Å; A166-W169 CarbonylContact O-C 3.6Å; A166-W169 VanDerWaalsContact O-C 3.27Å; A166-W169 PolarHBondContact O-N 3.49Å; A166-R174 HydrophobicContact CB-CG 4.22Å |
| 167 | N | 90.6 | Very high | 89.5 | Confident | 110 Ų | 110 | 67.1 Ų | 67.1 | 59% | 0.588 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -71.7 | -29.2 | 176.8 | -67.8 | -6.5 | 0 | 0 | 0 | 112.6 | V163 M165 | V163-N167 WeakPolarHBondContact O-CB 3.41Å; V163-N167 PolarHBondContact O-N 2.82Å; V163-N167 PolarHBondContact O-OD1 2.82Å; M165-N167 VanDerWaalsContact C-N 3.31Å; M165-N167 PolarHBondContact O-N 3.34Å |
| 168 | R | 88.2 | Confident | 89.4 | Confident | 150 Ų | 150 | 72.4 Ų | 72.4 | 57% | 0.566 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -84.9 | -19.7 | 174.1 | -69.3 | 170.7 | -177.2 | -79.8 | 10.7 | 113.2 | V131 E135 C164 M165 P170 | V131-R168 HydrophobicContact CG1-CB 4.19Å; V131-R168 HydrophobicContact CG1-CG 4.42Å; E135-R168 IonicContact OE1-CZ 3.15Å; E135-R168 IonicContact OE1-NE 2.66Å; E135-R168 PolarHBondContact OE1-NE 3.48Å; E135-R168 IonicContact OE1-NH2 2.68Å; E135-R168 PolarHBondContact OE1-NH2 3.03Å; C164-R168 WeakPolarHBondContact O-CB 3.41Å; C164-R168 WeakPolarHBondContact O-CD 3.36Å; C164-R168 VanDerWaalsContact O-CG 3.27Å; C164-R168 WeakPolarHBondContact O-CG 3.33Å; C164-R168 PolarHBondContact O-N 2.68Å; C164-R168 VanDerWaalsContact O-N 3.15Å; M165-R168 CarbonylContact O-C 3.41Å; M165-R168 PolarHBondContact O-N 2.9Å; M165-R168 VanDerWaalsContact O-N 3.14Å; R168-P170 VanDerWaalsContact C-CD 3.49Å |
| 169 | W | 82.6 | Confident | 89.2 | Confident | 86 Ų | 86 | 73.8 Ų | 73.8 | 33% | 0.326 | 37% | 0.373 | S | S | . | . | trans | -127.4 | 65.4 | 179.4 | -80.2 | 88.8 | 0 | 0 | 0 | 111.7 | D127 M165 A166 H171 A172 | D127-W169 HydrophobicContact CB-CZ2 3.81Å; M165-W169 PolarHBondContact O-N 3.44Å; A166-W169 CarbonylContact O-C 3.6Å; A166-W169 VanDerWaalsContact O-C 3.27Å; A166-W169 PolarHBondContact O-N 3.49Å; W169-H171 PolarHBondContact O-N 2.66Å; W169-H171 VanDerWaalsContact O-N 3.12Å; W169-A172 HydrophobicContact CB-CB 4.02Å; W169-A172 HydrophobicContact CE3-CB 4.35Å; W169-A172 PolarHBondContact O-N 3.48Å; W169-A172 VanDerWaalsContact O-N 3.15Å | ||
| 170 | P | 78 | Confident | 89.1 | Confident | 89 Ų | 89 | 69.1 Ų | 69.1 | 58% | 0.578 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -17.5 | -176.8 | 27.8 | -36.5 | 0 | 0 | 0 | 114 | R168 | R168-P170 VanDerWaalsContact C-CD 3.49Š|
| 171 | H | 73.6 | Confident | 89 | Confident | 183 Ų | 183 | 68.3 Ų | 68.3 | 85% | 0.847 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.6 | -2.4 | 179.7 | -51.2 | -59.3 | 0 | 0 | 0 | 114 | W169 | W169-H171 PolarHBondContact O-N 2.66Å; W169-H171 VanDerWaalsContact O-N 3.12Å |
| 172 | A | 73.7 | Confident | 88.9 | Confident | 25 Ų | 25 | 74.9 Ų | 74.9 | 21% | 0.207 | 38% | 0.375 | C | S | . | . | S | Bend | trans | -97.5 | 155.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | W169 R174 | W169-A172 HydrophobicContact CB-CB 4.02Å; W169-A172 HydrophobicContact CE3-CB 4.35Å; W169-A172 PolarHBondContact O-N 3.48Å; W169-A172 VanDerWaalsContact O-N 3.15Å; A172-R174 PolarHBondContact O-N 3.02Å |
| 173 | P | 80.9 | Confident | 88.8 | Confident | 105 Ų | 105 | 76.7 Ų | 76.7 | 68% | 0.682 | 38% | 0.382 | S | S | * | . | trans | -54.3 | 124.3 | 167.3 | -24.4 | 34.7 | 0 | 0 | 0 | 110.7 | R175 | P173-R175 PolarHBondContact O-N 3.49Å; P173-R175 VanDerWaalsContact O-N 3.07Å | ||
| 174 | R | 87.6 | Confident | 88.8 | Confident | 185 Ų | 185 | 73.8 Ų | 73.8 | 70% | 0.698 | 36% | 0.362 | S | S | * | . | trans | -62.9 | 111.2 | -178 | -70.8 | -176.9 | 174.5 | -98.1 | -1.6 | 110.2 | A166 A172 | A166-R174 HydrophobicContact CB-CG 4.22Å; A172-R174 PolarHBondContact O-N 3.02Å | ||
| 175 | R | 89.8 | Confident | 88.7 | Confident | 36 Ų | 36 | 76.8 Ų | 76.8 | 14% | 0.136 | 37% | 0.373 | C | S | . | . | trans | -69.6 | 142.2 | 174.4 | -55.9 | -61.8 | -176 | 177.4 | -4.1 | 111 | E122 T123 F124 E128 P173 Q179 V180 | E122-R175 IonicContact OE1-CZ 3.02Å; E122-R175 IonicContact OE1-NH1 3.16Å; E122-R175 PolarHBondContact OE1-NH1 3.43Å; T123-R175 PolarHBondContact O-NH2 2.96Å; F124-R175 HydrophobicContact CE1-CG 4.02Å; F124-R175 HydrophobicContact CZ-CG 4.02Å; E128-R175 WeakPolarHBondContact OE1-CG 3.4Å; E128-R175 IonicContact OE1-CZ 3.91Å; E128-R175 IonicContact OE1-NE 2.74Å; E128-R175 PolarHBondContact OE1-NE 3.49Å; E128-R175 IonicContact OE1-NH2 2.76Å; E128-R175 PolarHBondContact OE1-NH2 3.42Å; E128-R175 VanDerWaalsContact OE1-NH2 3.15Å; E128-R175 IonicContact OE2-CZ 2.75Å; E128-R175 IonicContact OE2-NE 3.04Å; E128-R175 IonicContact OE2-NH2 2.74Å; E128-R175 PolarHBondContact OE2-NH2 3.32Å; P173-R175 PolarHBondContact O-N 3.49Å; P173-R175 VanDerWaalsContact O-N 3.07Å; R175-Q179 VanDerWaalsContact CA-OE1 3.32Å; R175-Q179 HydrophobicContact CB-CB 4.4Å; R175-V180 HydrophobicContact CB-CG2 3.74Å; R175-V180 HydrophobicContact CG-CG2 4.49Å | ||
| 176 | T | 92.9 | Very high | 88.6 | Confident | 72 Ų | 72 | 80.2 Ų | 80.2 | 44% | 0.442 | 39% | 0.391 | S | S | . | . | trans | -80.2 | 161.3 | 168 | 70.1 | 0 | 0 | 0 | 0 | 111.3 | D178 Q179 V180 | T176-D178 PolarHBondContact O-N 3.49Å; T176-Q179 PolarHBondContact O-N 3.41Å; T176-Q179 WeakPolarHBondContact OG1-CG 3.43Å; T176-Q179 PolarHBondContact OG1-N 2.92Å; T176-Q179 PolarHBondContact OG1-OE1 3.07Å; T176-V180 WeakPolarHBondContact O-CG2 3.4Å; T176-V180 PolarHBondContact O-N 3.41Å; T176-V180 VanDerWaalsContact O-N 3.09Å | ||
| 177 | A | 94.6 | Very high | 88.6 | Confident | 20 Ų | 20 | 80.6 Ų | 80.6 | 17% | 0.165 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -52.8 | -41 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | W158 E159 V180 K181 | W158-A177 HydrophobicContact CB-CB 4.08Å; E159-A177 HydrophobicContact CG-CB 4.25Å; A177-V180 PolarHBondContact O-N 3.02Å; A177-K181 VanDerWaalsContact O-CB 3.25Å; A177-K181 WeakPolarHBondContact O-CB 3.43Å; A177-K181 PolarHBondContact O-N 3.3Å |
| 178 | D | 93.9 | Very high | 88.4 | Confident | 113 Ų | 113 | 76 Ų | 76 | 60% | 0.604 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -71.8 | -35.1 | 179.7 | -64.3 | -68.7 | 0 | 0 | 0 | 113.4 | T176 K182 | T176-D178 PolarHBondContact O-N 3.49Å; D178-K182 WeakPolarHBondContact O-CB 3.26Å; D178-K182 PolarHBondContact O-N 2.76Å |
| 179 | Q | 93.1 | Very high | 88.4 | Confident | 55 Ų | 55 | 72 Ų | 72 | 26% | 0.257 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63.8 | -46.1 | 172.9 | -73.5 | 170.6 | -35.8 | 0 | 0 | 111.2 | E122 F124 R175 T176 K182 K183 | E122-Q179 PolarHBondContact OE1-NE2 3.32Å; E122-Q179 VanDerWaalsContact OE1-NE2 3.07Å; E122-Q179 WeakPolarHBondContact OE2-CG 3.41Å; E122-Q179 PolarHBondContact OE2-NE2 3.03Å; F124-Q179 HydrophobicContact CZ-CB 4.39Å; R175-Q179 VanDerWaalsContact CA-OE1 3.32Å; R175-Q179 HydrophobicContact CB-CB 4.4Å; T176-Q179 PolarHBondContact O-N 3.41Å; T176-Q179 WeakPolarHBondContact OG1-CG 3.43Å; T176-Q179 PolarHBondContact OG1-N 2.92Å; T176-Q179 PolarHBondContact OG1-OE1 3.07Å; Q179-K182 PolarHBondContact O-N 2.98Å; Q179-K183 WeakPolarHBondContact O-CB 3.41Å; Q179-K183 PolarHBondContact O-N 3.02Å |
| 180 | V | 94.3 | Very high | 88.6 | Confident | 0 Ų | 0 | 74.4 Ų | 74.4 | 0% | 0 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -61.4 | -48.2 | 176.2 | 173 | 0 | 0 | 0 | 0 | 111 | F124 M132 W158 V161 A162 M165 R175 T176 A177 K183 W184 | F124-V180 HydrophobicContact CE1-CG2 4.41Å; M132-V180 HydrophobicContact CG-CG1 3.87Å; M132-V180 HydrophobicContact SD-CG1 3.96Å; W158-V180 HydrophobicContact CE3-CG1 3.97Å; W158-V180 HydrophobicContact CZ3-CG1 3.93Å; V161-V180 HydrophobicContact CG1-CG1 3.7Å; A162-V180 HydrophobicContact CB-CG2 4.11Å; M165-V180 HydrophobicContact CE-CG2 4.28Å; M165-V180 HydrophobicContact SD-CG1 3.95Å; M165-V180 HydrophobicContact SD-CG2 3.69Å; R175-V180 HydrophobicContact CB-CG2 3.74Å; R175-V180 HydrophobicContact CG-CG2 4.49Å; T176-V180 WeakPolarHBondContact O-CG2 3.4Å; T176-V180 PolarHBondContact O-N 3.41Å; T176-V180 VanDerWaalsContact O-N 3.09Å; A177-V180 PolarHBondContact O-N 3.02Å; V180-K183 WeakPolarHBondContact O-CB 3.34Å; V180-K183 PolarHBondContact O-N 2.87Å; V180-W184 PolarHBondContact O-N 3.38Å |
| 181 | K | 94.4 | Very high | 88.8 | Confident | 71 Ų | 71 | 70.2 Ų | 70.2 | 31% | 0.309 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -60.5 | -49.7 | 176.6 | 179.4 | -166.1 | 159.7 | -154.8 | 0 | 111.7 | W158 A177 K183 W184 E185 | W158-K181 HydrophobicContact CD2-CB 3.93Å; W158-K181 HydrophobicContact CD2-CG 4.26Å; W158-K181 HydrophobicContact CE3-CB 4.17Å; W158-K181 HydrophobicContact CG-CB 4.33Å; W158-K181 HydrophobicContact CZ2-CB 4.45Å; W158-K181 HydrophobicContact CZ2-CG 4.19Å; A177-K181 VanDerWaalsContact O-CB 3.25Å; A177-K181 WeakPolarHBondContact O-CB 3.43Å; A177-K181 PolarHBondContact O-N 3.3Å; K181-K183 PolarHBondContact O-N 3.16Å; K181-W184 WeakPolarHBondContact O-CB 3.4Å; K181-W184 PolarHBondContact O-N 3.07Å; K181-W184 VanDerWaalsContact O-N 3.15Å; K181-E185 WeakPolarHBondContact CE-OE1 3.48Å; K181-E185 WeakPolarHBondContact CE-OE2 3.45Å; K181-E185 HydrophobicContact CG-CG 4.48Å; K181-E185 IonicContact NZ-OE1 3.83Å; K181-E185 WeakPolarHBondContact O-CG 3.4Å; K181-E185 PolarHBondContact O-N 3.14Å |
| 182 | K | 93.6 | Very high | 89.2 | Confident | 137 Ų | 137 | 65.6 Ų | 65.6 | 60% | 0.596 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -60 | -35.7 | 177.2 | -173.7 | 172.9 | -177.8 | 176.7 | 0 | 110.9 | D178 Q179 N186 | D178-K182 WeakPolarHBondContact O-CB 3.26Å; D178-K182 PolarHBondContact O-N 2.76Å; Q179-K182 PolarHBondContact O-N 2.98Å; K182-N186 VanDerWaalsContact O-CB 3.32Å; K182-N186 WeakPolarHBondContact O-CB 3.07Å; K182-N186 PolarHBondContact O-N 2.88Å; K182-N186 VanDerWaalsContact O-N 3.07Å; K182-N186 PolarHBondContact O-ND2 3.36Å |
| 183 | K | 92.6 | Very high | 89.6 | Confident | 47 Ų | 47 | 73 Ų | 73 | 20% | 0.204 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -66.2 | -46.9 | 173.9 | -171.5 | 67.3 | 169.7 | -150.4 | 0 | 112.2 | E122 F124 M132 Q179 V180 K181 N186 L187 | E122-K183 PolarHBondContact O-NZ 3.41Å; F124-K183 HydrophobicContact CB-CD 4.44Å; F124-K183 HydrophobicContact CD1-CB 4.39Å; F124-K183 HydrophobicContact CD1-CD 4.42Å; F124-K183 HydrophobicContact CD1-CG 3.85Å; F124-K183 HydrophobicContact CD2-CB 4.4Å; F124-K183 HydrophobicContact CD2-CD 3.65Å; F124-K183 HydrophobicContact CD2-CG 3.93Å; F124-K183 HydrophobicContact CE1-CB 3.91Å; F124-K183 HydrophobicContact CE1-CG 3.89Å; F124-K183 HydrophobicContact CE2-CB 3.91Å; F124-K183 HydrophobicContact CE2-CD 3.93Å; F124-K183 HydrophobicContact CE2-CG 3.96Å; F124-K183 HydrophobicContact CG-CD 3.92Å; F124-K183 HydrophobicContact CG-CG 3.87Å; F124-K183 HydrophobicContact CZ-CB 3.65Å; F124-K183 HydrophobicContact CZ-CD 4.43Å; F124-K183 HydrophobicContact CZ-CG 3.95Å; M132-K183 HydrophobicContact CE-CG 4.24Å; M132-K183 HydrophobicContact SD-CB 4.17Å; M132-K183 HydrophobicContact SD-CG 4.1Å; Q179-K183 WeakPolarHBondContact O-CB 3.41Å; Q179-K183 PolarHBondContact O-N 3.02Å; V180-K183 WeakPolarHBondContact O-CB 3.34Å; V180-K183 PolarHBondContact O-N 2.87Å; K181-K183 PolarHBondContact O-N 3.16Å; K183-N186 PolarHBondContact O-N 3.06Å; K183-L187 HydrophobicContact CG-CD1 4.4Å; K183-L187 WeakPolarHBondContact O-CG 3.36Å; K183-L187 PolarHBondContact O-N 2.87Å |
| 184 | W | 92.7 | Very high | 89.5 | Confident | 19 Ų | 19 | 70.8 Ų | 70.8 | 7% | 0.072 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -59.1 | -50.4 | 175.7 | 168.1 | -111.7 | 0 | 0 | 0 | 112.2 | M132 L133 I136 L144 W158 V180 K181 N186 L187 V188 F216 | M132-W184 HydrophobicContact CE-CB 4.2Å; M132-W184 HydrophobicContact CE-CE3 4.49Å; L133-W184 HydrophobicContact CD2-CE3 3.98Å; L133-W184 HydrophobicContact CD2-CZ3 3.61Å; I136-W184 HydrophobicContact CD1-CB 4.05Å; I136-W184 HydrophobicContact CD1-CD2 3.85Å; I136-W184 HydrophobicContact CD1-CE3 3.8Å; I136-W184 HydrophobicContact CD1-CG 3.98Å; I136-W184 HydrophobicContact CG2-CZ2 4.41Å; L144-W184 HydrophobicContact CD2-CZ2 4.15Å; W158-W184 HydrophobicContact CH2-CB 3.81Å; W158-W184 AromaticContact CH2-CD1 3.37Å; W158-W184 AromaticContact CH2-CG 3.62Å; W158-W184 HydrophobicContact CH2-CG 3.62Å; W158-W184 AromaticContact CZ2-CD1 3.68Å; W158-W184 HydrophobicContact CZ2-CG 4.36Å; W158-W184 HydrophobicContact CZ3-CB 4.29Å; V180-W184 PolarHBondContact O-N 3.38Å; K181-W184 WeakPolarHBondContact O-CB 3.4Å; K181-W184 PolarHBondContact O-N 3.07Å; K181-W184 VanDerWaalsContact O-N 3.15Å; W184-N186 VanDerWaalsContact C-N 3.29Å; W184-N186 PolarHBondContact O-N 3.12Å; W184-L187 PolarHBondContact O-N 3.1Å; W184-L187 VanDerWaalsContact O-N 3.15Å; W184-V188 HydrophobicContact CD2-CG2 3.71Å; W184-V188 VanDerWaalsContact CE2-CG2 3.44Å; W184-V188 HydrophobicContact CE3-CG2 3.87Å; W184-V188 HydrophobicContact CG-CG2 4.48Å; W184-V188 HydrophobicContact CH2-CG2 3.5Å; W184-V188 HydrophobicContact CZ2-CG2 3.36Å; W184-V188 HydrophobicContact CZ3-CG2 3.76Å; W184-V188 WeakPolarHBondContact O-CG2 3.34Å; W184-V188 PolarHBondContact O-N 3.21Å; W184-F216 AromaticContact CH2-CD1 3.55Å; W184-F216 HydrophobicContact CH2-CD1 3.55Å; W184-F216 AromaticContact CH2-CE1 3.42Å; W184-F216 HydrophobicContact CH2-CE1 3.42Å; W184-F216 VanDerWaalsContact CH2-CE1 3.42Å; W184-F216 HydrophobicContact CH2-CG 4.32Å; W184-F216 HydrophobicContact CH2-CZ 4.09Å; W184-F216 HydrophobicContact CZ2-CD1 4.28Å; W184-F216 AromaticContact CZ2-CE1 3.75Å; W184-F216 HydrophobicContact CZ2-CE1 3.75Å; W184-F216 HydrophobicContact CZ2-CZ 4.39Å; W184-F216 HydrophobicContact CZ3-CD1 4.47Å; W184-F216 HydrophobicContact CZ3-CE1 4.5Å |
| 185 | E | 92.5 | Very high | 89.1 | Confident | 92 Ų | 92 | 62.5 Ų | 62.5 | 43% | 0.43 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61 | -37.9 | 179.5 | -71.9 | 172.2 | 160.2 | 0 | 0 | 111.7 | K181 S189 | K181-E185 WeakPolarHBondContact CE-OE1 3.48Å; K181-E185 WeakPolarHBondContact CE-OE2 3.45Å; K181-E185 HydrophobicContact CG-CG 4.48Å; K181-E185 IonicContact NZ-OE1 3.83Å; K181-E185 WeakPolarHBondContact O-CG 3.4Å; K181-E185 PolarHBondContact O-N 3.14Å; E185-S189 WeakPolarHBondContact O-CB 3.5Å; E185-S189 PolarHBondContact O-N 3.36Å; E185-S189 PolarHBondContact O-OG 3.04Å |
| 186 | N | 90.5 | Very high | 88.7 | Confident | 79 Ų | 79 | 68.9 Ų | 68.9 | 42% | 0.422 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -64.1 | -45.8 | 172.3 | -89.7 | -68.1 | 0 | 0 | 0 | 113.1 | K182 K183 W184 S189 K190 | K182-N186 VanDerWaalsContact O-CB 3.32Å; K182-N186 WeakPolarHBondContact O-CB 3.07Å; K182-N186 PolarHBondContact O-N 2.88Å; K182-N186 VanDerWaalsContact O-N 3.07Å; K182-N186 PolarHBondContact O-ND2 3.36Å; K183-N186 PolarHBondContact O-N 3.06Å; W184-N186 VanDerWaalsContact C-N 3.29Å; W184-N186 PolarHBondContact O-N 3.12Å; N186-S189 PolarHBondContact O-N 2.92Å; N186-K190 WeakPolarHBondContact O-CB 3.02Å; N186-K190 WeakPolarHBondContact O-CG 3.35Å; N186-K190 PolarHBondContact O-N 2.74Å |
| 187 | L | 89.9 | Confident | 88 | Confident | 18 Ų | 18 | 68.3 Ų | 68.3 | 9% | 0.094 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63.2 | -49.7 | 177.6 | -72.7 | 170.2 | 0 | 0 | 0 | 111.2 | V129 M132 K183 W184 S189 K190 T191 T209 V213 | V129-L187 HydrophobicContact CG1-CD1 3.65Å; M132-L187 HydrophobicContact CE-CD1 3.77Å; K183-L187 HydrophobicContact CG-CD1 4.4Å; K183-L187 WeakPolarHBondContact O-CG 3.36Å; K183-L187 PolarHBondContact O-N 2.87Å; W184-L187 PolarHBondContact O-N 3.1Å; W184-L187 VanDerWaalsContact O-N 3.15Å; L187-S189 VanDerWaalsContact C-N 3.27Å; L187-S189 PolarHBondContact O-N 3.35Å; L187-K190 PolarHBondContact O-N 3.09Å; L187-T191 PolarHBondContact O-N 3.31Å; L187-T191 PolarHBondContact O-OG1 3.48Å; L187-T209 HydrophobicContact CD1-CG2 4.18Å; L187-T209 HydrophobicContact CD2-CG2 3.96Å; L187-V213 HydrophobicContact CB-CG2 4.15Å; L187-V213 HydrophobicContact CD1-CG2 4.31Å |
| 188 | V | 87.8 | Confident | 86.6 | Confident | 13 Ų | 13 | 69.7 Ų | 69.7 | 8% | 0.079 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -59 | -40 | 176.8 | 171.1 | 0 | 0 | 0 | 0 | 111.3 | W184 K192 L217 | W184-V188 HydrophobicContact CD2-CG2 3.71Å; W184-V188 VanDerWaalsContact CE2-CG2 3.44Å; W184-V188 HydrophobicContact CE3-CG2 3.87Å; W184-V188 HydrophobicContact CG-CG2 4.48Å; W184-V188 HydrophobicContact CH2-CG2 3.5Å; W184-V188 HydrophobicContact CZ2-CG2 3.36Å; W184-V188 HydrophobicContact CZ3-CG2 3.76Å; W184-V188 WeakPolarHBondContact O-CG2 3.34Å; W184-V188 PolarHBondContact O-N 3.21Å; V188-K192 HydrophobicContact CG1-CD 3.78Å; V188-K192 HydrophobicContact CG1-CG 4.28Å; V188-K192 VanDerWaalsContact O-CB 3.24Å; V188-K192 WeakPolarHBondContact O-CB 3.1Å; V188-K192 VanDerWaalsContact O-CG 3.27Å; V188-K192 WeakPolarHBondContact O-CG 3.41Å; V188-K192 PolarHBondContact O-N 3.02Å; V188-L217 HydrophobicContact CG1-CD1 4.21Å; V188-L217 HydrophobicContact CG1-CD2 4.14Å; V188-L217 HydrophobicContact CG2-CD1 4.39Å; V188-L217 HydrophobicContact CG2-CD2 4.27Å |
| 189 | S | 88.2 | Confident | 85 | Confident | 68 Ų | 68 | 70.4 Ų | 70.4 | 48% | 0.476 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -68.6 | -41.2 | 178.1 | -63 | 0 | 0 | 0 | 0 | 112.5 | E185 N186 L187 R193 | E185-S189 WeakPolarHBondContact O-CB 3.5Å; E185-S189 PolarHBondContact O-N 3.36Å; E185-S189 PolarHBondContact O-OG 3.04Å; N186-S189 PolarHBondContact O-N 2.92Å; L187-S189 VanDerWaalsContact C-N 3.27Å; L187-S189 PolarHBondContact O-N 3.35Å; S189-R193 VanDerWaalsContact O-CB 3.31Å; S189-R193 WeakPolarHBondContact O-CB 3.47Å; S189-R193 PolarHBondContact O-N 3.4Å |
| 190 | K | 85.3 | Confident | 83.6 | Confident | 136 Ų | 136 | 68.8 Ų | 68.8 | 59% | 0.591 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -63.3 | -46.7 | 173.9 | -74.5 | -178.5 | 179.4 | -169.6 | 0 | 111.3 | N186 L187 R193 K194 | N186-K190 WeakPolarHBondContact O-CB 3.02Å; N186-K190 WeakPolarHBondContact O-CG 3.35Å; N186-K190 PolarHBondContact O-N 2.74Å; L187-K190 PolarHBondContact O-N 3.09Å; K190-R193 WeakPolarHBondContact O-CB 3.48Å; K190-R193 PolarHBondContact O-N 3.17Å; K190-R193 VanDerWaalsContact O-N 3.14Å; K190-K194 PolarHBondContact O-N 3.47Å |
| 191 | T | 82.7 | Confident | 81.6 | Confident | 1 Ų | 1 | 72.5 Ų | 72.5 | 1% | 0.006 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -63.9 | -46.5 | 176.4 | -57.3 | 0 | 0 | 0 | 0 | 111.7 | L187 R193 K194 V195 W206 V213 M214 L217 | L187-T191 PolarHBondContact O-N 3.31Å; L187-T191 PolarHBondContact O-OG1 3.48Å; T191-R193 PolarHBondContact O-N 3.48Å; T191-K194 PolarHBondContact O-N 2.69Å; T191-V195 HydrophobicContact CG2-CG2 4.34Å; T191-V195 WeakPolarHBondContact O-CB 3.38Å; T191-V195 VanDerWaalsContact O-CG2 3.24Å; T191-V195 WeakPolarHBondContact O-CG2 3.38Å; T191-V195 PolarHBondContact O-N 3.08Å; T191-W206 HydrophobicContact CG2-CZ2 4.34Å; T191-V213 HydrophobicContact CG2-CG1 4.3Å; T191-V213 WeakPolarHBondContact OG1-CG1 3.46Å; T191-M214 HydrophobicContact CG2-CB 4.04Å; T191-L217 HydrophobicContact CG2-CD1 4.02Å |
| 192 | K | 82.2 | Confident | 79.7 | Confident | 86 Ų | 86 | 75.4 Ų | 75.4 | 37% | 0.374 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -65.1 | -18.3 | 174.1 | -73.7 | 177.8 | 179.8 | 173.8 | 0 | 113.7 | V188 R196 | V188-K192 HydrophobicContact CG1-CD 3.78Å; V188-K192 HydrophobicContact CG1-CG 4.28Å; V188-K192 VanDerWaalsContact O-CB 3.24Å; V188-K192 WeakPolarHBondContact O-CB 3.1Å; V188-K192 VanDerWaalsContact O-CG 3.27Å; V188-K192 WeakPolarHBondContact O-CG 3.41Å; V188-K192 PolarHBondContact O-N 3.02Å; K192-R196 WeakPolarHBondContact O-CG 3.21Å; K192-R196 PolarHBondContact O-N 2.74Å; K192-R196 PolarHBondContact O-NE 3.44Å |
| 193 | R | 83.1 | Confident | 77.3 | Confident | 179 Ų | 179 | 76.9 Ų | 76.9 | 68% | 0.675 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -80.2 | -50.7 | 170.5 | -167.7 | -177.9 | -69.8 | -177.3 | -2.8 | 110.4 | S189 K190 T191 V195 R196 A197 | S189-R193 VanDerWaalsContact O-CB 3.31Å; S189-R193 WeakPolarHBondContact O-CB 3.47Å; S189-R193 PolarHBondContact O-N 3.4Å; K190-R193 WeakPolarHBondContact O-CB 3.48Å; K190-R193 PolarHBondContact O-N 3.17Å; K190-R193 VanDerWaalsContact O-N 3.14Å; T191-R193 PolarHBondContact O-N 3.48Å; R193-V195 VanDerWaalsContact C-N 3.34Å; R193-V195 PolarHBondContact O-N 2.97Å; R193-R196 PolarHBondContact O-N 2.92Å; R193-R196 VanDerWaalsContact O-N 3.1Å; R193-A197 PolarHBondContact O-N 3.17Å |
| 194 | K | 78.4 | Confident | 75.2 | Confident | 59 Ų | 59 | 80.8 Ų | 80.8 | 26% | 0.257 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -55.9 | -45.3 | 174.6 | -74.8 | -156.4 | 171.7 | -159.5 | 0 | 112.3 | K190 T191 R196 A197 H199 D205 W206 | K190-K194 PolarHBondContact O-N 3.47Å; T191-K194 PolarHBondContact O-N 2.69Å; K194-R196 VanDerWaalsContact C-N 3.32Å; K194-R196 PolarHBondContact O-N 3.01Å; K194-A197 PolarHBondContact O-N 3.13Å; K194-A197 VanDerWaalsContact O-N 3.13Å; K194-H199 PolarHBondContact O-N 3.27Å; K194-D205 VanDerWaalsContact NZ-CB 3.32Å; K194-D205 PolarHBondContact NZ-O 3.48Å; K194-W206 HydrophobicContact CB-CH2 3.82Å; K194-W206 HydrophobicContact CB-CZ3 3.84Å; K194-W206 HydrophobicContact CD-CE3 3.99Å; K194-W206 HydrophobicContact CD-CH2 3.88Å; K194-W206 HydrophobicContact CD-CZ3 3.38Å; K194-W206 HydrophobicContact CG-CH2 4.44Å; K194-W206 HydrophobicContact CG-CZ3 4.23Å |
| 195 | V | 78.7 | Confident | 73.3 | Confident | 12 Ų | 12 | 86.1 Ų | 86.1 | 7% | 0.073 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -59.5 | -38.8 | 176.1 | 172.1 | 0 | 0 | 0 | 0 | 112.5 | T191 R193 I200 M214 R227 | T191-V195 HydrophobicContact CG2-CG2 4.34Å; T191-V195 WeakPolarHBondContact O-CB 3.38Å; T191-V195 VanDerWaalsContact O-CG2 3.24Å; T191-V195 WeakPolarHBondContact O-CG2 3.38Å; T191-V195 PolarHBondContact O-N 3.08Å; R193-V195 VanDerWaalsContact C-N 3.34Å; R193-V195 PolarHBondContact O-N 2.97Å; V195-I200 HydrophobicContact CB-CD1 4.15Å; V195-I200 HydrophobicContact CG1-CD1 4.16Å; V195-I200 HydrophobicContact CG2-CD1 3.88Å; V195-M214 HydrophobicContact CG2-CE 3.77Å; V195-R227 HydrophobicContact CG1-CB 3.99Å |
| 196 | R | 80.5 | Confident | 71.7 | Confident | 170 Ų | 170 | 84.4 Ų | 84.4 | 64% | 0.642 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -74 | -27 | 176.7 | -82.3 | -174.7 | -70.1 | 164.3 | -4.1 | 113.5 | K192 R193 K194 G198 | K192-R196 WeakPolarHBondContact O-CG 3.21Å; K192-R196 PolarHBondContact O-N 2.74Å; K192-R196 PolarHBondContact O-NE 3.44Å; R193-R196 PolarHBondContact O-N 2.92Å; R193-R196 VanDerWaalsContact O-N 3.1Å; K194-R196 VanDerWaalsContact C-N 3.32Å; K194-R196 PolarHBondContact O-N 3.01Å; R196-G198 PolarHBondContact O-N 2.83Å |
| 197 | A | 78.5 | Confident | 70.6 | Confident | 60 Ų | 60 | 84.5 Ų | 84.5 | 50% | 0.496 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | 2 | -180 | 0 | 0 | 0 | 0 | 0 | 113.5 | R193 K194 H199 | R193-A197 PolarHBondContact O-N 3.17Å; K194-A197 PolarHBondContact O-N 3.13Å; K194-A197 VanDerWaalsContact O-N 3.13Å; A197-H199 HydrophobicContact CB-CB 4.48Å; A197-H199 PolarHBondContact O-N 3.04Å; A197-H199 PolarHBondContact O-ND1 2.75Å |
| 198 | G | 66 | Low | 69.7 | Low | 49 Ų | 49 | 89.3 Ų | 89.3 | 51% | 0.505 | 46% | 0.456 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.3 | -0.7 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | R196 I200 | R196-G198 PolarHBondContact O-N 2.83Å; G198-I200 PolarHBondContact O-N 3.02Å |
| 199 | H | 61.1 | Low | 68.9 | Low | 128 Ų | 128 | 89.2 Ų | 89.2 | 59% | 0.593 | 46% | 0.455 | S | S | * | . | trans | -79.4 | 66.1 | -179.9 | -73.7 | 57.5 | 0 | 0 | 0 | 110.2 | K194 A197 W206 | K194-H199 PolarHBondContact O-N 3.27Å; A197-H199 HydrophobicContact CB-CB 4.48Å; A197-H199 PolarHBondContact O-N 3.04Å; A197-H199 PolarHBondContact O-ND1 2.75Å; H199-W206 WeakPolarHBondContact O-CZ3 3.31Å | ||
| 200 | I | 61.7 | Low | 68.2 | Low | 20 Ų | 20 | 86.9 Ų | 86.9 | 10% | 0.103 | 44% | 0.438 | C | S | . | . | trans | -116.9 | 50.7 | 170.2 | -45.2 | -174.8 | 0 | 0 | 0 | 108.2 | V195 G198 M214 Y228 S231 T232 | V195-I200 HydrophobicContact CB-CD1 4.15Å; V195-I200 HydrophobicContact CG1-CD1 4.16Å; V195-I200 HydrophobicContact CG2-CD1 3.88Å; G198-I200 PolarHBondContact O-N 3.02Å; I200-M214 HydrophobicContact CD1-CE 3.9Å; I200-M214 HydrophobicContact CG1-CE 4.17Å; I200-M214 HydrophobicContact CG2-CE 3.83Å; I200-M214 HydrophobicContact CG2-SD 4.38Å; I200-Y228 HydrophobicContact CD1-CD2 3.9Å; I200-Y228 HydrophobicContact CG2-CD2 4.09Å; I200-Y228 HydrophobicContact CG2-CE2 3.69Å; I200-S231 WeakPolarHBondContact CD1-OG 3.47Å; I200-T232 HydrophobicContact CB-CG2 4.36Å; I200-T232 HydrophobicContact CG2-CG2 3.63Å | ||
| 201 | T | 53.8 | Low | 67.6 | Low | 79 Ų | 79 | 82.4 Ų | 82.4 | 49% | 0.485 | 43% | 0.426 | S | S | . | . | trans | -84.3 | 136.6 | 163.7 | 47.9 | 0 | 0 | 0 | 0 | 108.4 | E203 | T201-E203 PolarHBondContact O-N 3.41Š| ||
| 202 | P | 54.7 | Low | 67.3 | Low | 132 Ų | 132 | 84.1 Ų | 84.1 | 86% | 0.857 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -76.2 | 6 | 179.3 | 32.2 | -36.5 | 0 | 0 | 0 | 113.6 | ||
| 203 | E | 43.4 | Very low | 67.1 | Low | 168 Ų | 168 | 80 Ų | 80 | 79% | 0.785 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -103.7 | -34.6 | -157.7 | -161.4 | 164.9 | -160.8 | 0 | 0 | 114.1 | T201 | T201-E203 PolarHBondContact O-N 3.41Š|
| 204 | L | 47.7 | Very low | 66.9 | Low | 128 Ų | 128 | 72 Ų | 72 | 67% | 0.67 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -131.7 | 145.9 | 179.9 | -102.6 | 72.7 | 0 | 0 | 0 | 112.5 | W206 | L204-W206 VanDerWaalsContact C-N 3.28Å; L204-W206 PolarHBondContact O-N 3.04Å; L204-W206 VanDerWaalsContact O-N 3.13Å |
| 205 | D | 52.1 | Low | 67 | Low | 132 Ų | 132 | 74.7 Ų | 74.7 | 71% | 0.706 | 41% | 0.406 | S | S | * | . | S | Bend | trans | 55.2 | 24.3 | 171.3 | -71 | 0.3 | 0 | 0 | 0 | 117.9 | K194 | K194-D205 VanDerWaalsContact NZ-CB 3.32Å; K194-D205 PolarHBondContact NZ-O 3.48Å |
| 206 | W | 59.1 | Low | 67 | Low | 55 Ų | 55 | 74.6 Ų | 74.6 | 21% | 0.208 | 40% | 0.404 | C | S | . | . | trans | -100.4 | 79.3 | 173.2 | -142.7 | -80 | 0 | 0 | 0 | 112.4 | T191 K194 H199 L204 N210 A211 M214 | T191-W206 HydrophobicContact CG2-CZ2 4.34Å; K194-W206 HydrophobicContact CB-CH2 3.82Å; K194-W206 HydrophobicContact CB-CZ3 3.84Å; K194-W206 HydrophobicContact CD-CE3 3.99Å; K194-W206 HydrophobicContact CD-CH2 3.88Å; K194-W206 HydrophobicContact CD-CZ3 3.38Å; K194-W206 HydrophobicContact CG-CH2 4.44Å; K194-W206 HydrophobicContact CG-CZ3 4.23Å; H199-W206 WeakPolarHBondContact O-CZ3 3.31Å; L204-W206 VanDerWaalsContact C-N 3.28Å; L204-W206 PolarHBondContact O-N 3.04Å; L204-W206 VanDerWaalsContact O-N 3.13Å; W206-N210 HydrophobicContact CD2-CB 4.42Å; W206-N210 HydrophobicContact CZ2-CB 4.04Å; W206-N210 PolarHBondContact NE1-O 2.89Å; W206-A211 VanDerWaalsContact NE1-CA 3.34Å; W206-M214 HydrophobicContact CH2-CE 3.29Å; W206-M214 HydrophobicContact CH2-SD 4.19Å; W206-M214 HydrophobicContact CZ2-CB 4.11Å; W206-M214 HydrophobicContact CZ2-CE 3.27Å; W206-M214 HydrophobicContact CZ2-CG 4.46Å; W206-M214 HydrophobicContact CZ2-SD 3.58Å; W206-M214 VanDerWaalsContact CZ2-SD 3.58Å; W206-M214 HydrophobicContact CZ3-CE 4.18Å | ||
| 207 | N | 68.6 | Low | 67 | Low | 82 Ų | 82 | 66.9 Ų | 66.9 | 44% | 0.439 | 38% | 0.376 | S | S | . | . | trans | -61.9 | 153.7 | 174.8 | 74.7 | 9.5 | 0 | 0 | 0 | 112 | T209 N210 A211 | N207-T209 PolarHBondContact O-N 2.99Å; N207-T209 VanDerWaalsContact O-N 3.14Å; N207-N210 WeakPolarHBondContact O-CB 3.32Å; N207-N210 PolarHBondContact O-N 3.46Å; N207-N210 VanDerWaalsContact OD1-CB 3.3Å; N207-N210 WeakPolarHBondContact OD1-CB 3.45Å; N207-N210 PolarHBondContact OD1-N 3.32Å; N207-N210 PolarHBondContact OD1-ND2 3.14Å; N207-N210 VanDerWaalsContact OD1-ND2 3.16Å; N207-A211 PolarHBondContact O-N 3.24Å; N207-A211 VanDerWaalsContact O-N 3.13Å | ||
| 208 | E | 70.1 | Confident | 67 | Low | 118 Ų | 118 | 65.1 Ų | 65.1 | 55% | 0.551 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -53 | -38.5 | -176.5 | -166.7 | -168.6 | 166.8 | 0 | 0 | 112.2 | K130 N210 A211 A212 | K130-E208 WeakPolarHBondContact CE-OE1 3.37Å; K130-E208 WeakPolarHBondContact CE-OE2 3.44Å; K130-E208 IonicContact NZ-OE1 2.82Å; K130-E208 PolarHBondContact NZ-OE1 3.45Å; K130-E208 IonicContact NZ-OE2 3.97Å; K130-E208 PolarHBondContact NZ-OE2 3.17Å; E208-N210 PolarHBondContact O-N 3.33Å; E208-A211 WeakPolarHBondContact O-CB 3.14Å; E208-A211 PolarHBondContact O-N 3.29Å; E208-A212 PolarHBondContact O-N 3.48Å |
| 209 | T | 70.3 | Confident | 67.7 | Low | 11 Ų | 11 | 67.6 Ų | 67.6 | 7% | 0.067 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -57.4 | -47.4 | 173.8 | -51 | 0 | 0 | 0 | 0 | 112.7 | V129 L187 N207 A211 A212 V213 | V129-T209 HydrophobicContact CB-CG2 4.21Å; V129-T209 HydrophobicContact CG1-CG2 3.48Å; V129-T209 VanDerWaalsContact CG1-CG2 3.48Å; L187-T209 HydrophobicContact CD1-CG2 4.18Å; L187-T209 HydrophobicContact CD2-CG2 3.96Å; N207-T209 PolarHBondContact O-N 2.99Å; N207-T209 VanDerWaalsContact O-N 3.14Å; T209-A211 VanDerWaalsContact C-N 3.29Å; T209-A211 PolarHBondContact O-N 2.82Å; T209-A212 PolarHBondContact O-N 3.32Å; T209-V213 VanDerWaalsContact O-CG2 3.25Å; T209-V213 WeakPolarHBondContact O-CG2 3.24Å; T209-V213 PolarHBondContact O-N 3.44Å |
| 210 | N | 73.3 | Confident | 68.5 | Low | 20 Ų | 20 | 64.7 Ų | 64.7 | 11% | 0.107 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -67.4 | -31.2 | 178 | -71.3 | -22.8 | 0 | 0 | 0 | 111.4 | W206 N207 E208 M214 | W206-N210 HydrophobicContact CD2-CB 4.42Å; W206-N210 HydrophobicContact CZ2-CB 4.04Å; W206-N210 PolarHBondContact NE1-O 2.89Å; N207-N210 WeakPolarHBondContact O-CB 3.32Å; N207-N210 PolarHBondContact O-N 3.46Å; N207-N210 VanDerWaalsContact OD1-CB 3.3Å; N207-N210 WeakPolarHBondContact OD1-CB 3.45Å; N207-N210 PolarHBondContact OD1-N 3.32Å; N207-N210 PolarHBondContact OD1-ND2 3.14Å; N207-N210 VanDerWaalsContact OD1-ND2 3.16Å; E208-N210 PolarHBondContact O-N 3.33Å; N210-M214 WeakPolarHBondContact O-CB 3.27Å; N210-M214 PolarHBondContact O-N 3.12Å |
| 211 | A | 73.6 | Confident | 69.3 | Low | 41 Ų | 41 | 65.2 Ų | 65.2 | 34% | 0.339 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -64.8 | -50.6 | 174 | 0 | 0 | 0 | 0 | 0 | 110.7 | W206 N207 E208 T209 V213 M214 Q215 | W206-A211 VanDerWaalsContact NE1-CA 3.34Å; N207-A211 PolarHBondContact O-N 3.24Å; N207-A211 VanDerWaalsContact O-N 3.13Å; E208-A211 WeakPolarHBondContact O-CB 3.14Å; E208-A211 PolarHBondContact O-N 3.29Å; T209-A211 VanDerWaalsContact C-N 3.29Å; T209-A211 PolarHBondContact O-N 2.82Å; A211-V213 PolarHBondContact O-N 3.45Å; A211-M214 PolarHBondContact O-N 2.92Å; A211-Q215 WeakPolarHBondContact O-CB 3.42Å; A211-Q215 PolarHBondContact O-N 2.87Å |
| 212 | A | 76.9 | Confident | 70.2 | Confident | 37 Ų | 37 | 65.9 Ų | 65.9 | 31% | 0.306 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -60 | -43 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L133 E208 T209 M214 Q215 F216 | L133-A212 HydrophobicContact CD1-CB 3.7Å; E208-A212 PolarHBondContact O-N 3.48Å; T209-A212 PolarHBondContact O-N 3.32Å; A212-M214 PolarHBondContact O-N 3Å; A212-Q215 PolarHBondContact O-N 2.87Å; A212-F216 VanDerWaalsContact O-CB 3.27Å; A212-F216 WeakPolarHBondContact O-CB 3.39Å; A212-F216 PolarHBondContact O-N 3.48Å |
| 213 | V | 78.2 | Confident | 71.1 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -63.9 | -38.7 | 175.3 | 172.9 | 0 | 0 | 0 | 0 | 111.8 | L133 L187 T191 T209 A211 L217 | L133-V213 HydrophobicContact CD1-CG2 4.01Å; L133-V213 HydrophobicContact CD2-CG2 3.74Å; L187-V213 HydrophobicContact CB-CG2 4.15Å; L187-V213 HydrophobicContact CD1-CG2 4.31Å; T191-V213 HydrophobicContact CG2-CG1 4.3Å; T191-V213 WeakPolarHBondContact OG1-CG1 3.46Å; T209-V213 VanDerWaalsContact O-CG2 3.25Å; T209-V213 WeakPolarHBondContact O-CG2 3.24Å; T209-V213 PolarHBondContact O-N 3.44Å; A211-V213 PolarHBondContact O-N 3.45Å; V213-L217 HydrophobicContact CG1-CD1 3.87Å; V213-L217 HydrophobicContact CG1-CG 4.37Å; V213-L217 WeakPolarHBondContact O-CB 3.27Å; V213-L217 WeakPolarHBondContact O-CG 3.5Å; V213-L217 PolarHBondContact O-N 2.88Å |
| 214 | M | 78.1 | Confident | 72.6 | Confident | 12 Ų | 12 | 55.9 Ų | 55.9 | 6% | 0.059 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -69.3 | -43.2 | 177 | 172.8 | 175.6 | -97 | 0 | 0 | 112.2 | T191 V195 I200 W206 N210 A211 A212 L217 T218 Y228 | T191-M214 HydrophobicContact CG2-CB 4.04Å; V195-M214 HydrophobicContact CG2-CE 3.77Å; I200-M214 HydrophobicContact CD1-CE 3.9Å; I200-M214 HydrophobicContact CG1-CE 4.17Å; I200-M214 HydrophobicContact CG2-CE 3.83Å; I200-M214 HydrophobicContact CG2-SD 4.38Å; W206-M214 HydrophobicContact CH2-CE 3.29Å; W206-M214 HydrophobicContact CH2-SD 4.19Å; W206-M214 HydrophobicContact CZ2-CB 4.11Å; W206-M214 HydrophobicContact CZ2-CE 3.27Å; W206-M214 HydrophobicContact CZ2-CG 4.46Å; W206-M214 HydrophobicContact CZ2-SD 3.58Å; W206-M214 VanDerWaalsContact CZ2-SD 3.58Å; W206-M214 HydrophobicContact CZ3-CE 4.18Å; N210-M214 WeakPolarHBondContact O-CB 3.27Å; N210-M214 PolarHBondContact O-N 3.12Å; A211-M214 PolarHBondContact O-N 2.92Å; A212-M214 PolarHBondContact O-N 3Å; M214-L217 PolarHBondContact O-N 2.65Å; M214-T218 HydrophobicContact CG-CG2 4.5Å; M214-T218 WeakPolarHBondContact O-CB 3.21Å; M214-T218 WeakPolarHBondContact O-CG2 3.17Å; M214-T218 PolarHBondContact O-N 3.08Å; M214-T218 PolarHBondContact O-OG1 3.37Å; M214-Y228 HydrophobicContact CE-CD2 3.8Å; M214-Y228 HydrophobicContact CE-CE2 3.81Å; M214-Y228 HydrophobicContact CG-CD2 4.19Å; M214-Y228 HydrophobicContact CG-CE2 4.02Å; M214-Y228 HydrophobicContact SD-CD2 3.88Å; M214-Y228 HydrophobicContact SD-CE2 3.36Å; M214-Y228 WeakPolarHBondContact SD-CE2 3.42Å |
| 215 | Q | 80 | Confident | 74.1 | Confident | 115 Ų | 115 | 57 Ų | 57 | 54% | 0.537 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -59.5 | -49.5 | 174.5 | -176.2 | 174.9 | 1.1 | 0 | 0 | 110.6 | A211 A212 L217 T218 Q219 | A211-Q215 WeakPolarHBondContact O-CB 3.42Å; A211-Q215 PolarHBondContact O-N 2.87Å; A212-Q215 PolarHBondContact O-N 2.87Å; Q215-L217 PolarHBondContact O-N 3.3Å; Q215-T218 PolarHBondContact O-N 2.94Å; Q215-T218 PolarHBondContact O-OG1 3.29Å; Q215-Q219 WeakPolarHBondContact O-CB 3.31Å; Q215-Q219 VanDerWaalsContact O-CG 3.26Å; Q215-Q219 WeakPolarHBondContact O-CG 3.43Å; Q215-Q219 PolarHBondContact O-N 3.22Å |
| 216 | F | 79.5 | Confident | 75.2 | Confident | 9 Ų | 9 | 56.3 Ų | 56.3 | 4% | 0.039 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -56.9 | -47.9 | 174.2 | -177 | -76.3 | 0 | 0 | 0 | 112.5 | I136 E137 K140 L144 W184 A212 T218 Q219 H220 | I136-F216 HydrophobicContact CG2-CE2 4.09Å; I136-F216 HydrophobicContact CG2-CZ 3.75Å; E137-F216 HydrophobicContact CB-CD2 4.3Å; E137-F216 HydrophobicContact CB-CE2 3.84Å; E137-F216 HydrophobicContact CG-CD2 4.2Å; E137-F216 HydrophobicContact CG-CE2 3.92Å; K140-F216 HydrophobicContact CB-CZ 4.34Å; L144-F216 HydrophobicContact CD1-CE1 3.65Å; L144-F216 HydrophobicContact CD1-CZ 3.8Å; L144-F216 HydrophobicContact CD2-CE1 4.15Å; L144-F216 HydrophobicContact CD2-CZ 4.4Å; L144-F216 HydrophobicContact CG-CE1 4.43Å; L144-F216 HydrophobicContact CG-CZ 4.45Å; W184-F216 AromaticContact CH2-CD1 3.55Å; W184-F216 HydrophobicContact CH2-CD1 3.55Å; W184-F216 AromaticContact CH2-CE1 3.42Å; W184-F216 HydrophobicContact CH2-CE1 3.42Å; W184-F216 VanDerWaalsContact CH2-CE1 3.42Å; W184-F216 HydrophobicContact CH2-CG 4.32Å; W184-F216 HydrophobicContact CH2-CZ 4.09Å; W184-F216 HydrophobicContact CZ2-CD1 4.28Å; W184-F216 AromaticContact CZ2-CE1 3.75Å; W184-F216 HydrophobicContact CZ2-CE1 3.75Å; W184-F216 HydrophobicContact CZ2-CZ 4.39Å; W184-F216 HydrophobicContact CZ3-CD1 4.47Å; W184-F216 HydrophobicContact CZ3-CE1 4.5Å; A212-F216 VanDerWaalsContact O-CB 3.27Å; A212-F216 WeakPolarHBondContact O-CB 3.39Å; A212-F216 PolarHBondContact O-N 3.48Å; F216-T218 PolarHBondContact O-N 3.24Å; F216-Q219 PolarHBondContact O-N 3Å; F216-H220 WeakPolarHBondContact O-CB 3.39Å; F216-H220 PolarHBondContact O-N 3.33Å |
| 217 | L | 81.1 | Confident | 75.9 | Confident | 9 Ų | 9 | 60.2 Ų | 60.2 | 5% | 0.047 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -68.5 | -32.7 | -179.3 | -74.3 | 172.8 | 0 | 0 | 0 | 112.9 | V188 T191 V213 M214 Q215 S221 V224 | V188-L217 HydrophobicContact CG1-CD1 4.21Å; V188-L217 HydrophobicContact CG1-CD2 4.14Å; V188-L217 HydrophobicContact CG2-CD1 4.39Å; V188-L217 HydrophobicContact CG2-CD2 4.27Å; T191-L217 HydrophobicContact CG2-CD1 4.02Å; V213-L217 HydrophobicContact CG1-CD1 3.87Å; V213-L217 HydrophobicContact CG1-CG 4.37Å; V213-L217 WeakPolarHBondContact O-CB 3.27Å; V213-L217 WeakPolarHBondContact O-CG 3.5Å; V213-L217 PolarHBondContact O-N 2.88Å; M214-L217 PolarHBondContact O-N 2.65Å; Q215-L217 PolarHBondContact O-N 3.3Å; L217-S221 WeakPolarHBondContact O-CA 3.3Å; L217-S221 WeakPolarHBondContact O-CB 3.32Å; L217-S221 PolarHBondContact O-N 2.93Å; L217-V224 HydrophobicContact CB-CB 4.39Å; L217-V224 HydrophobicContact CB-CG1 3.99Å |
| 218 | T | 78.3 | Confident | 76.1 | Confident | 22 Ų | 22 | 59.9 Ų | 59.9 | 14% | 0.135 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -77.9 | -26.5 | 175.9 | 52.4 | 0 | 0 | 0 | 0 | 112.6 | M214 Q215 F216 V224 R225 Y228 | M214-T218 HydrophobicContact CG-CG2 4.5Å; M214-T218 WeakPolarHBondContact O-CB 3.21Å; M214-T218 WeakPolarHBondContact O-CG2 3.17Å; M214-T218 PolarHBondContact O-N 3.08Å; M214-T218 PolarHBondContact O-OG1 3.37Å; Q215-T218 PolarHBondContact O-N 2.94Å; Q215-T218 PolarHBondContact O-OG1 3.29Å; F216-T218 PolarHBondContact O-N 3.24Å; T218-V224 HydrophobicContact CG2-CG1 4.22Å; T218-R225 WeakPolarHBondContact O-CB 3.27Å; T218-R225 WeakPolarHBondContact O-CD 3.49Å; T218-R225 WeakPolarHBondContact O-CG 3.45Å; T218-Y228 HydrophobicContact CG2-CD1 3.86Å; T218-Y228 HydrophobicContact CG2-CD2 4.27Å; T218-Y228 HydrophobicContact CG2-CG 3.63Å |
| 219 | Q | 80.9 | Confident | 76.1 | Confident | 102 Ų | 102 | 58.4 Ų | 58.4 | 48% | 0.477 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -75.8 | -34.4 | 170.1 | -72.4 | 170.7 | -26.4 | 0 | 0 | 112.9 | Q215 F216 | Q215-Q219 WeakPolarHBondContact O-CB 3.31Å; Q215-Q219 VanDerWaalsContact O-CG 3.26Å; Q215-Q219 WeakPolarHBondContact O-CG 3.43Å; Q215-Q219 PolarHBondContact O-N 3.22Å; F216-Q219 PolarHBondContact O-N 3Å |
| 220 | H | 77.4 | Confident | 76.1 | Confident | 67 Ų | 67 | 63 Ų | 63 | 31% | 0.31 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -120.8 | 4.4 | -167.8 | -58 | -33.9 | 0 | 0 | 0 | 115.7 | K140 L144 F216 | K140-H220 VanDerWaalsContact CD-NE2 3.27Å; K140-H220 WeakPolarHBondContact CD-NE2 3.47Å; K140-H220 PolarHBondContact NZ-CE1 2.93Å; K140-H220 PolarHBondContact NZ-NE2 2.92Å; L144-H220 HydrophobicContact CD1-CB 3.75Å; F216-H220 WeakPolarHBondContact O-CB 3.39Å; F216-H220 PolarHBondContact O-N 3.33Å |
| 221 | S | 77.2 | Confident | 75.7 | Confident | 30 Ų | 30 | 64 Ų | 64 | 21% | 0.21 | 34% | 0.335 | C | S | . | . | trans | -136.1 | 97.9 | 172.8 | -161.9 | 0 | 0 | 0 | 0 | 110.7 | L217 P223 V224 R225 | L217-S221 WeakPolarHBondContact O-CA 3.3Å; L217-S221 WeakPolarHBondContact O-CB 3.32Å; L217-S221 PolarHBondContact O-N 2.93Å; S221-P223 VanDerWaalsContact C-CD 3.43Å; S221-P223 VanDerWaalsContact C-N 3.31Å; S221-V224 WeakPolarHBondContact O-CA 3.49Å; S221-V224 PolarHBondContact O-N 2.86Å; S221-R225 PolarHBondContact O-N 3.45Å | ||
| 222 | P | 74.2 | Confident | 75.1 | Confident | 93 Ų | 93 | 64.7 Ų | 64.7 | 60% | 0.604 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -51.5 | -38.7 | -179.2 | -26.4 | 33.6 | 0 | 0 | 0 | 114.9 | V224 R225 L226 | P222-V224 VanDerWaalsContact C-N 3.28Å; P222-V224 PolarHBondContact O-N 2.74Å; P222-R225 WeakPolarHBondContact O-CB 3.47Å; P222-R225 PolarHBondContact O-N 2.84Å; P222-L226 WeakPolarHBondContact O-CG 3.45Å; P222-L226 PolarHBondContact O-N 3.05Å |
| 223 | P | 73.6 | Confident | 73.9 | Confident | 79 Ų | 79 | 66.8 Ų | 66.8 | 51% | 0.513 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -65 | -26.4 | 174.8 | -23.3 | 35.5 | 0 | 0 | 0 | 114.4 | S221 R227 | S221-P223 VanDerWaalsContact C-CD 3.43Å; S221-P223 VanDerWaalsContact C-N 3.31Å; P223-R227 WeakPolarHBondContact O-CG 3.49Å |
| 224 | V | 74.5 | Confident | 72.3 | Confident | 12 Ų | 12 | 71.4 Ų | 71.4 | 7% | 0.073 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -80.7 | -40.3 | 173.5 | -175.3 | 0 | 0 | 0 | 0 | 110.2 | L217 T218 S221 P222 L226 R227 Y228 | L217-V224 HydrophobicContact CB-CB 4.39Å; L217-V224 HydrophobicContact CB-CG1 3.99Å; T218-V224 HydrophobicContact CG2-CG1 4.22Å; S221-V224 WeakPolarHBondContact O-CA 3.49Å; S221-V224 PolarHBondContact O-N 2.86Å; P222-V224 VanDerWaalsContact C-N 3.28Å; P222-V224 PolarHBondContact O-N 2.74Å; V224-L226 PolarHBondContact O-N 3.16Å; V224-R227 PolarHBondContact O-N 3.48Å; V224-Y228 VanDerWaalsContact O-CB 3.31Å; V224-Y228 WeakPolarHBondContact O-CB 3.48Å; V224-Y228 PolarHBondContact O-N 3.25Å |
| 225 | R | 79.7 | Confident | 70.7 | Confident | 152 Ų | 152 | 75.7 Ų | 75.7 | 57% | 0.574 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -55.3 | -49.7 | 174.7 | -168.5 | 177.6 | 172.2 | 176.5 | -3.9 | 112 | T218 S221 P222 Y228 L229 | T218-R225 WeakPolarHBondContact O-CB 3.27Å; T218-R225 WeakPolarHBondContact O-CD 3.49Å; T218-R225 WeakPolarHBondContact O-CG 3.45Å; S221-R225 PolarHBondContact O-N 3.45Å; P222-R225 WeakPolarHBondContact O-CB 3.47Å; P222-R225 PolarHBondContact O-N 2.84Å; R225-Y228 PolarHBondContact O-N 2.9Å; R225-L229 HydrophobicContact CG-CD1 4.33Å; R225-L229 WeakPolarHBondContact O-CG 3.24Å; R225-L229 PolarHBondContact O-N 3.41Å |
| 226 | L | 74.2 | Confident | 68.9 | Low | 117 Ų | 117 | 77.2 Ų | 77.2 | 61% | 0.613 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -59.2 | -48.9 | 178.3 | -71.8 | 170.2 | 0 | 0 | 0 | 111.9 | P222 V224 Y228 L229 T230 | P222-L226 WeakPolarHBondContact O-CG 3.45Å; P222-L226 PolarHBondContact O-N 3.05Å; V224-L226 PolarHBondContact O-N 3.16Å; L226-Y228 PolarHBondContact O-N 3.29Å; L226-L229 PolarHBondContact O-N 3.48Å; L226-T230 PolarHBondContact O-N 3.19Å; L226-T230 VanDerWaalsContact O-N 3.09Å; L226-T230 PolarHBondContact O-OG1 2.71Å |
| 227 | R | 74.5 | Confident | 67.2 | Low | 137 Ų | 137 | 86.5 Ų | 86.5 | 52% | 0.517 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -63.2 | -42.8 | 179.3 | -71 | 178.6 | -173.1 | -159.4 | 0.1 | 112.4 | V195 P223 V224 L229 T230 S231 | V195-R227 HydrophobicContact CG1-CB 3.99Å; P223-R227 WeakPolarHBondContact O-CG 3.49Å; V224-R227 PolarHBondContact O-N 3.48Å; R227-L229 VanDerWaalsContact C-N 3.34Å; R227-L229 PolarHBondContact O-N 3.4Å; R227-T230 WeakPolarHBondContact CA-OG1 3.27Å; R227-T230 PolarHBondContact O-N 3.27Å; R227-T230 PolarHBondContact O-OG1 2.76Å; R227-S231 WeakPolarHBondContact O-CB 3.35Å; R227-S231 PolarHBondContact O-N 3.17Å; R227-S231 VanDerWaalsContact O-N 3.08Å; R227-S231 PolarHBondContact O-OG 3.3Å |
| 228 | Y | 71.9 | Confident | 65.1 | Low | 74 Ų | 74 | 92.8 Ų | 92.8 | 29% | 0.29 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59 | -44.4 | 176.9 | 179.1 | -103.4 | 0 | 0 | 0 | 111.6 | I200 M214 T218 V224 R225 L226 S231 T232 | I200-Y228 HydrophobicContact CD1-CD2 3.9Å; I200-Y228 HydrophobicContact CG2-CD2 4.09Å; I200-Y228 HydrophobicContact CG2-CE2 3.69Å; M214-Y228 HydrophobicContact CE-CD2 3.8Å; M214-Y228 HydrophobicContact CE-CE2 3.81Å; M214-Y228 HydrophobicContact CG-CD2 4.19Å; M214-Y228 HydrophobicContact CG-CE2 4.02Å; M214-Y228 HydrophobicContact SD-CD2 3.88Å; M214-Y228 HydrophobicContact SD-CE2 3.36Å; M214-Y228 WeakPolarHBondContact SD-CE2 3.42Å; T218-Y228 HydrophobicContact CG2-CD1 3.86Å; T218-Y228 HydrophobicContact CG2-CD2 4.27Å; T218-Y228 HydrophobicContact CG2-CG 3.63Å; V224-Y228 VanDerWaalsContact O-CB 3.31Å; V224-Y228 WeakPolarHBondContact O-CB 3.48Å; V224-Y228 PolarHBondContact O-N 3.25Å; R225-Y228 PolarHBondContact O-N 2.9Å; L226-Y228 PolarHBondContact O-N 3.29Å; Y228-S231 WeakPolarHBondContact CA-OG 3.4Å; Y228-S231 PolarHBondContact O-N 2.91Å; Y228-S231 PolarHBondContact O-OG 3.43Å; Y228-S231 VanDerWaalsContact O-OG 3.13Å; Y228-T232 HydrophobicContact CD2-CG2 3.99Å; Y228-T232 HydrophobicContact CE1-CG2 4.18Å; Y228-T232 HydrophobicContact CE2-CG2 3.57Å; Y228-T232 HydrophobicContact CG-CG2 4.47Å; Y228-T232 WeakPolarHBondContact O-CB 3.3Å; Y228-T232 WeakPolarHBondContact O-CG2 3.44Å; Y228-T232 PolarHBondContact O-N 2.95Å; Y228-T232 PolarHBondContact O-OG1 2.91Å |
| 229 | L | 71.8 | Confident | 63 | Low | 88 Ų | 88 | 100.1 Ų | 100.1 | 46% | 0.461 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.3 | -51.1 | 175.2 | -68.8 | 168 | 0 | 0 | 0 | 111.2 | R225 L226 R227 S231 T232 T233 | R225-L229 HydrophobicContact CG-CD1 4.33Å; R225-L229 WeakPolarHBondContact O-CG 3.24Å; R225-L229 PolarHBondContact O-N 3.41Å; L226-L229 PolarHBondContact O-N 3.48Å; R227-L229 VanDerWaalsContact C-N 3.34Å; R227-L229 PolarHBondContact O-N 3.4Å; L229-S231 PolarHBondContact O-N 3Å; L229-S231 VanDerWaalsContact O-N 3.08Å; L229-T232 PolarHBondContact O-N 3.13Å; L229-T232 PolarHBondContact O-OG1 3.38Å; L229-T233 PolarHBondContact O-N 3.46Å; L229-T233 PolarHBondContact O-OG1 2.96Å |
| 230 | T | 69.7 | Low | 60.7 | Low | 108 Ų | 108 | 98.1 Ų | 98.1 | 66% | 0.663 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -63.3 | -16.1 | 179.4 | 53.6 | 0 | 0 | 0 | 0 | 115 | L226 R227 T233 | L226-T230 PolarHBondContact O-N 3.19Å; L226-T230 VanDerWaalsContact O-N 3.09Å; L226-T230 PolarHBondContact O-OG1 2.71Å; R227-T230 WeakPolarHBondContact CA-OG1 3.27Å; R227-T230 PolarHBondContact O-N 3.27Å; R227-T230 PolarHBondContact O-OG1 2.76Å; T230-T233 PolarHBondContact O-OG1 3.41Å |
| 231 | S | 63.5 | Low | 58.6 | Low | 39 Ų | 39 | 102 Ų | 102 | 27% | 0.273 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -106.9 | -8.7 | 179.2 | 47 | 0 | 0 | 0 | 0 | 114.1 | I200 R227 Y228 L229 | I200-S231 WeakPolarHBondContact CD1-OG 3.47Å; R227-S231 WeakPolarHBondContact O-CB 3.35Å; R227-S231 PolarHBondContact O-N 3.17Å; R227-S231 VanDerWaalsContact O-N 3.08Å; R227-S231 PolarHBondContact O-OG 3.3Å; Y228-S231 WeakPolarHBondContact CA-OG 3.4Å; Y228-S231 PolarHBondContact O-N 2.91Å; Y228-S231 PolarHBondContact O-OG 3.43Å; Y228-S231 VanDerWaalsContact O-OG 3.13Å; L229-S231 PolarHBondContact O-N 3Å; L229-S231 VanDerWaalsContact O-N 3.08Å |
| 232 | T | 61.8 | Low | 56.7 | Low | 56 Ų | 56 | 107.7 Ų | 107.7 | 34% | 0.344 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -109.4 | -13.3 | 175.1 | 51.6 | 0 | 0 | 0 | 0 | 113.5 | I200 Y228 L229 P234 | I200-T232 HydrophobicContact CB-CG2 4.36Å; I200-T232 HydrophobicContact CG2-CG2 3.63Å; Y228-T232 HydrophobicContact CD2-CG2 3.99Å; Y228-T232 HydrophobicContact CE1-CG2 4.18Å; Y228-T232 HydrophobicContact CE2-CG2 3.57Å; Y228-T232 HydrophobicContact CG-CG2 4.47Å; Y228-T232 WeakPolarHBondContact O-CB 3.3Å; Y228-T232 WeakPolarHBondContact O-CG2 3.44Å; Y228-T232 PolarHBondContact O-N 2.95Å; Y228-T232 PolarHBondContact O-OG1 2.91Å; L229-T232 PolarHBondContact O-N 3.13Å; L229-T232 PolarHBondContact O-OG1 3.38Å; T232-P234 WeakPolarHBondContact O-CD 3.26Å |
| 233 | T | 51.2 | Low | 54.6 | Low | 82 Ų | 82 | 112 Ų | 112 | 50% | 0.503 | 60% | 0.598 | S | S | . | * | S | Bend | trans | -63.6 | 118.9 | 160.5 | 45.8 | 0 | 0 | 0 | 0 | 109.9 | L229 T230 | L229-T233 PolarHBondContact O-N 3.46Å; L229-T233 PolarHBondContact O-OG1 2.96Å; T230-T233 PolarHBondContact O-OG1 3.41Å |
| 234 | P | 45.3 | Very low | 52.8 | Low | 97 Ų | 97 | 113 Ų | 113 | 63% | 0.63 | 61% | 0.607 | S | S | * | * | trans | -60.9 | 154.2 | 167.5 | 27.6 | -34.1 | 0 | 0 | 0 | 109.9 | T232 L236 | T232-P234 WeakPolarHBondContact O-CD 3.26Å; P234-L236 PolarHBondContact O-N 3.28Å | ||
| 235 | S | 43.5 | Very low | 50.8 | Low | 101 Ų | 101 | 117 Ų | 117 | 71% | 0.706 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -72.8 | 35.2 | -163.4 | 49.5 | 0 | 0 | 0 | 0 | 116.4 | F237 N238 | S235-F237 PolarHBondContact O-N 3.21Å; S235-F237 VanDerWaalsContact O-N 3.16Å; S235-N238 WeakPolarHBondContact O-CB 3.22Å; S235-N238 PolarHBondContact O-N 2.93Å |
| 236 | L | 43 | Very low | 48.8 | Very low | 148 Ų | 148 | 115.4 Ų | 115.4 | 78% | 0.775 | 65% | 0.653 | S | S | * | * | G | 310 helix | trans | -62.9 | -17.6 | 177.4 | -67.4 | 172.3 | 0 | 0 | 0 | 113.9 | P234 N238 | P234-L236 PolarHBondContact O-N 3.28Å; L236-N238 VanDerWaalsContact C-N 3.34Å |
| 237 | F | 44.5 | Very low | 46.9 | Very low | 203 Ų | 203 | 114.9 Ų | 114.9 | 89% | 0.89 | 66% | 0.659 | S | S | * | * | G | 310 helix | trans | -86.3 | 3.5 | 171.9 | -79.2 | -75 | 0 | 0 | 0 | 114.5 | S235 L239 | S235-F237 PolarHBondContact O-N 3.21Å; S235-F237 VanDerWaalsContact O-N 3.16Å; F237-L239 VanDerWaalsContact C-N 3.3Å |
| 238 | N | 36.3 | Very low | 45.1 | Very low | 141 Ų | 141 | 114.5 Ų | 114.5 | 75% | 0.754 | 67% | 0.672 | S | S | * | * | G | 310 helix | trans | -92.6 | 13.6 | 175 | -146.6 | 7.6 | 0 | 0 | 0 | 113.2 | S235 L236 | S235-N238 WeakPolarHBondContact O-CB 3.22Å; S235-N238 PolarHBondContact O-N 2.93Å; L236-N238 VanDerWaalsContact C-N 3.34Å |
| 239 | L | 34.4 | Very low | 43.4 | Very low | 176 Ų | 176 | 116.5 Ų | 116.5 | 92% | 0.921 | 70% | 0.697 | S | S | * | * | trans | -103.6 | 74.1 | 173.7 | -131.9 | 75.4 | 0 | 0 | 0 | 109.2 | F237 | F237-L239 VanDerWaalsContact C-N 3.3Š| ||
| 240 | G | 32.9 | Very low | 41.8 | Very low | 60 Ų | 60 | 117 Ų | 117 | 62% | 0.619 | 71% | 0.708 | S | S | * | * | trans | -163.8 | 10.6 | -169.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | L242 | G240-L242 PolarHBondContact O-N 3.14Š| ||
| 241 | N | 32 | Very low | 40.7 | Very low | 150 Ų | 150 | 120.2 Ų | 120.2 | 80% | 0.802 | 72% | 0.718 | S | S | * | * | trans | -78.3 | 61.2 | 174.1 | -167.3 | 37.5 | 0 | 0 | 0 | 111.4 | ||||
| 242 | L | 37.4 | Very low | 39.5 | Very low | 148 Ų | 148 | 126.4 Ų | 126.4 | 78% | 0.775 | 75% | 0.746 | S | S | * | * | trans | -116.2 | 93.9 | 173.8 | -88 | 167.9 | 0 | 0 | 0 | 108.9 | G240 S244 | G240-L242 PolarHBondContact O-N 3.14Å; L242-S244 PolarHBondContact O-N 3.49Å | ||
| 243 | Q | 31.6 | Very low | 38.2 | Very low | 185 Ų | 185 | 128.8 Ų | 128.8 | 86% | 0.864 | 77% | 0.766 | S | S | * | * | trans | -72 | 70.6 | 168.9 | -68 | 178.6 | -19 | 0 | 0 | 109.9 | A245 | Q243-A245 PolarHBondContact O-N 2.88Å; Q243-A245 VanDerWaalsContact O-N 3.14Å | ||
| 244 | S | 34.4 | Very low | 37.5 | Very low | 100 Ų | 100 | 131.4 Ų | 131.4 | 70% | 0.699 | 78% | 0.781 | S | S | * | * | trans | -75.6 | 98 | 174.3 | -65.9 | 0 | 0 | 0 | 0 | 109.6 | L242 S246 | L242-S244 PolarHBondContact O-N 3.49Å; S244-S246 PolarHBondContact O-N 2.93Å | ||
| 245 | A | 32.8 | Very low | 36.9 | Very low | 94 Ų | 94 | 130.4 Ų | 130.4 | 78% | 0.777 | 78% | 0.781 | S | S | * | * | trans | -70.6 | 119.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q243 | Q243-A245 PolarHBondContact O-N 2.88Å; Q243-A245 VanDerWaalsContact O-N 3.14Å | ||
| 246 | S | 37.3 | Very low | 36.5 | Very low | 119 Ų | 119 | 129.4 Ų | 129.4 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | trans | -123.7 | 83.7 | 163 | 63.4 | 0 | 0 | 0 | 0 | 109.3 | S244 | S244-S246 PolarHBondContact O-N 2.93Š| ||
| 247 | S | 34.4 | Very low | 36.2 | Very low | 107 Ų | 107 | 126.6 Ų | 126.6 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | trans | -73.5 | 134.2 | -174.9 | -53 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 248 | T | 38.1 | Very low | 35.6 | Very low | 129 Ų | 129 | 121.6 Ų | 121.6 | 79% | 0.791 | 77% | 0.774 | S | S | * | * | trans | -168.3 | 131.3 | 135.1 | 21.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 249 | S | 36.2 | Very low | 35.5 | Very low | 115 Ų | 115 | 119.7 Ų | 119.7 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | trans | 54.4 | 133.7 | 160.8 | 46.5 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 250 | S | 38.3 | Very low | 35.6 | Very low | 99 Ų | 99 | 115.3 Ų | 115.3 | 69% | 0.692 | 77% | 0.767 | S | S | * | * | cis | -162.6 | 142 | 3.9 | 49.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 251 | M | 45.1 | Very low | 35.8 | Very low | 176 Ų | 176 | 119 Ų | 119 | 87% | 0.867 | 78% | 0.777 | S | S | * | * | trans | 52.9 | 119.7 | 144 | -66.6 | 179.6 | 173.4 | 0 | 0 | 118.2 | ||||
| 252 | L | 39.4 | Very low | 36 | Very low | 168 Ų | 168 | 116.1 Ų | 116.1 | 88% | 0.88 | 77% | 0.774 | S | S | * | * | cis | -146.7 | 152.8 | 29.9 | -81.3 | 109.2 | 0 | 0 | 0 | 114.3 | ||||
| 253 | S | 34.8 | Very low | 36 | Very low | 107 Ų | 107 | 114 Ų | 114 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | trans | -80.2 | -176.1 | 162 | -48.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 254 | T | 35 | Very low | 36.4 | Very low | 136 Ų | 136 | 110 Ų | 110 | 83% | 0.834 | 76% | 0.764 | S | S | * | * | cis | -162.8 | 178.8 | 15.5 | -18.6 | 0 | 0 | 0 | 0 | 106 | ||||
| 255 | A | 33.9 | Very low | 36.5 | Very low | 76 Ų | 76 | 110.5 Ų | 110.5 | 63% | 0.628 | 77% | 0.767 | S | S | * | * | cis | -155 | -172.5 | -0.4 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 256 | A | 35.2 | Very low | 36.8 | Very low | 80 Ų | 80 | 110.8 Ų | 110.8 | 66% | 0.661 | 76% | 0.764 | S | S | * | * | cis | -139.6 | -127.8 | -2.9 | 0 | 0 | 0 | 0 | 0 | 106.6 | M602 | A256-M602 HydrophobicContact CB-CE 3.94Š| ||
| 257 | A | 35.8 | Very low | 36.8 | Very low | 90 Ų | 90 | 109.8 Ų | 109.8 | 74% | 0.744 | 76% | 0.757 | S | S | * | * | cis | -167.7 | 157.2 | -18.1 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 258 | A | 32.3 | Very low | 37.1 | Very low | 97 Ų | 97 | 112.1 Ų | 112.1 | 80% | 0.802 | 76% | 0.758 | S | S | * | * | cis | -160.8 | 169 | -25.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 259 | A | 35.1 | Very low | 37 | Very low | 101 Ų | 101 | 112.7 Ų | 112.7 | 84% | 0.835 | 76% | 0.756 | S | S | * | * | trans | 102 | 133 | 163 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 260 | A | 35.6 | Very low | 36.8 | Very low | 85 Ų | 85 | 111.8 Ų | 111.8 | 70% | 0.702 | 75% | 0.748 | S | S | * | * | cis | -159.6 | 174.5 | -9.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 261 | V | 37.9 | Very low | 36.5 | Very low | 138 Ų | 138 | 112.4 Ų | 112.4 | 84% | 0.836 | 75% | 0.748 | S | S | * | * | trans | 52.5 | 109.3 | 163.5 | -76 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 262 | A | 35.5 | Very low | 36.1 | Very low | 88 Ų | 88 | 111.8 Ų | 111.8 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | 91.1 | 142.8 | 79.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 263 | S | 38.2 | Very low | 35.8 | Very low | 105 Ų | 105 | 106.7 Ų | 106.7 | 73% | 0.734 | 74% | 0.737 | S | S | * | * | cis | -161 | 163.9 | 2.1 | -119.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 264 | S | 38.3 | Very low | 35.9 | Very low | 101 Ų | 101 | 111.1 Ų | 111.1 | 71% | 0.706 | 74% | 0.743 | S | S | * | * | trans | 62 | 112.2 | 152.9 | -53.9 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 265 | S | 37.2 | Very low | 35.9 | Very low | 109 Ų | 109 | 111 Ų | 111 | 76% | 0.762 | 74% | 0.737 | S | S | * | * | 93.2 | 140.3 | 91.7 | 70.2 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 266 | S | 39.4 | Very low | 36.1 | Very low | 100 Ų | 100 | 115.6 Ų | 115.6 | 70% | 0.699 | 75% | 0.745 | S | S | * | * | cis | -169.7 | 150.5 | -3 | 44 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 267 | S | 36.2 | Very low | 36.4 | Very low | 98 Ų | 98 | 117.9 Ų | 117.9 | 69% | 0.685 | 75% | 0.745 | S | S | * | * | trans | 29.7 | 145.2 | 136.5 | 81.3 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 268 | M | 41.8 | Very low | 36.5 | Very low | 156 Ų | 156 | 120.4 Ų | 120.4 | 77% | 0.768 | 75% | 0.746 | S | S | * | * | cis | -156.3 | 171 | 22.6 | -71.1 | -171.3 | 170.3 | 0 | 0 | 112.2 | ||||
| 269 | N | 35.4 | Very low | 36.8 | Very low | 142 Ų | 142 | 121 Ų | 121 | 76% | 0.759 | 74% | 0.744 | S | S | * | * | trans | 39.1 | 149.5 | 132.5 | -66.5 | -6.3 | 0 | 0 | 0 | 123.2 | ||||
| 270 | C | 31.7 | Very low | 37 | Very low | 95 Ų | 95 | 123.3 Ų | 123.3 | 64% | 0.642 | 74% | 0.742 | S | S | * | * | cis | -171.7 | 155.9 | -14 | 54.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 271 | T | 33.4 | Very low | 37 | Very low | 112 Ų | 112 | 122.7 Ų | 122.7 | 69% | 0.687 | 73% | 0.733 | S | S | * | * | trans | 54.2 | 148.4 | 145.3 | 50.4 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 272 | N | 36.1 | Very low | 37.1 | Very low | 163 Ų | 163 | 127 Ų | 127 | 87% | 0.872 | 74% | 0.736 | S | S | * | * | trans | 74.7 | 143.1 | 167.7 | -53.1 | -20.4 | 0 | 0 | 0 | 116.1 | ||||
| 273 | G | 32.3 | Very low | 37.2 | Very low | 62 Ų | 62 | 126.1 Ų | 126.1 | 64% | 0.639 | 74% | 0.736 | S | S | * | * | cis | 159.6 | 162.5 | -7.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 274 | F | 36.7 | Very low | 37.2 | Very low | 200 Ų | 200 | 129.7 Ų | 129.7 | 88% | 0.877 | 75% | 0.746 | S | S | * | * | trans | 77.1 | 108.7 | 172.6 | -77.1 | -97.7 | 0 | 0 | 0 | 120.9 | ||||
| 275 | N | 36.5 | Very low | 37.1 | Very low | 132 Ų | 132 | 130.1 Ų | 130.1 | 71% | 0.706 | 75% | 0.749 | S | S | * | * | 25.2 | 134.1 | 124.6 | -57.8 | -26.3 | 0 | 0 | 0 | 121.8 | |||||
| 276 | H | 38.3 | Very low | 37.1 | Very low | 174 Ų | 174 | 132.2 Ų | 132.2 | 81% | 0.806 | 75% | 0.751 | S | S | * | * | -172.4 | 114 | 120.9 | -106.5 | -89 | 0 | 0 | 0 | 108.5 | |||||
| 277 | I | 40.2 | Very low | 37.1 | Very low | 128 Ų | 128 | 131.4 Ų | 131.4 | 66% | 0.656 | 75% | 0.745 | S | S | * | * | 79.5 | 117.4 | 88.2 | -72.6 | -172.3 | 0 | 0 | 0 | 116.2 | |||||
| 278 | N | 37.7 | Very low | 37.1 | Very low | 143 Ų | 143 | 133 Ų | 133 | 77% | 0.765 | 75% | 0.746 | S | S | * | * | trans | 56.7 | 154.2 | 158 | -66.4 | -9.6 | 0 | 0 | 0 | 119.1 | ||||
| 279 | S | 40.2 | Very low | 36.9 | Very low | 108 Ų | 108 | 134.9 Ų | 134.9 | 76% | 0.755 | 75% | 0.75 | S | S | * | * | cis | -150.7 | 164.5 | 28.2 | -49 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 280 | N | 37.9 | Very low | 37 | Very low | 150 Ų | 150 | 133.4 Ų | 133.4 | 80% | 0.802 | 74% | 0.742 | S | S | * | * | trans | -22.6 | 161.9 | 160.2 | -46.4 | -17.4 | 0 | 0 | 0 | 117.4 | ||||
| 281 | S | 36.3 | Very low | 37.1 | Very low | 73 Ų | 73 | 134.9 Ų | 134.9 | 51% | 0.51 | 74% | 0.744 | S | S | . | * | cis | -174.6 | 164.9 | 39.6 | -161.3 | 0 | 0 | 0 | 0 | 115 | ||||
| 282 | Y | 40.2 | Very low | 37.2 | Very low | 228 Ų | 228 | 133.8 Ų | 133.8 | 89% | 0.894 | 74% | 0.74 | S | S | * | * | trans | 67 | 143.1 | 169.4 | -40.7 | -64.7 | 0 | 0 | 0 | 115.5 | ||||
| 283 | G | 36.2 | Very low | 37.2 | Very low | 70 Ų | 70 | 136.8 Ų | 136.8 | 72% | 0.722 | 74% | 0.741 | S | S | * | * | cis | 132.1 | 125.2 | 11.1 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 284 | L | 40.1 | Very low | 37.4 | Very low | 180 Ų | 180 | 140.3 Ų | 140.3 | 94% | 0.942 | 75% | 0.745 | S | S | * | * | cis | -143.4 | 172.9 | 44.4 | -72.6 | 163.5 | 0 | 0 | 0 | 112.9 | ||||
| 285 | S | 35 | Very low | 37.3 | Very low | 110 Ų | 110 | 136.2 Ų | 136.2 | 77% | 0.769 | 74% | 0.737 | S | S | * | * | trans | -113.6 | 157.6 | -172.7 | -49.8 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 286 | N | 36.8 | Very low | 37.3 | Very low | 153 Ų | 153 | 135.7 Ų | 135.7 | 82% | 0.818 | 74% | 0.739 | S | S | * | * | trans | -166.9 | 109.7 | 135.4 | -96.4 | -4.9 | 0 | 0 | 0 | 107 | ||||
| 287 | S | 39.4 | Very low | 37.2 | Very low | 82 Ų | 82 | 133.1 Ų | 133.1 | 57% | 0.573 | 74% | 0.735 | S | S | * | * | 82.2 | 140.2 | 59.9 | 74.6 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 288 | N | 37.7 | Very low | 37.1 | Very low | 132 Ų | 132 | 133 Ų | 133 | 71% | 0.706 | 74% | 0.736 | S | S | * | * | cis | -172.8 | 140.3 | -21.4 | -106.9 | -7.7 | 0 | 0 | 0 | 107.5 | L290 | N288-L290 HydrophobicContact CB-CD1 4.36Š| ||
| 289 | F | 36.2 | Very low | 37.2 | Very low | 195 Ų | 195 | 132 Ų | 132 | 86% | 0.855 | 73% | 0.73 | S | S | * | * | trans | 174.5 | 99.4 | 142.1 | -117.4 | -96.4 | 0 | 0 | 0 | 105.9 | ||||
| 290 | L | 37.9 | Very low | 37.2 | Very low | 112 Ų | 112 | 133.8 Ų | 133.8 | 59% | 0.586 | 73% | 0.731 | S | S | * | * | 51.4 | 103.6 | 77.9 | -71.7 | 111.4 | 0 | 0 | 0 | 111.8 | N288 | N288-L290 HydrophobicContact CB-CD1 4.36Š| |||
| 291 | D | 33.8 | Very low | 37.5 | Very low | 126 Ų | 126 | 130.6 Ų | 130.6 | 67% | 0.674 | 72% | 0.721 | S | S | * | * | 90.8 | 115.8 | 71.6 | -86.7 | -56.3 | 0 | 0 | 0 | 111 | |||||
| 292 | S | 34.7 | Very low | 37.7 | Very low | 88 Ų | 88 | 134.6 Ų | 134.6 | 62% | 0.615 | 74% | 0.737 | S | S | * | * | 68.8 | 117.2 | 83 | -56.1 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 293 | Y | 37 | Very low | 37.7 | Very low | 227 Ų | 227 | 128.7 Ų | 128.7 | 89% | 0.89 | 73% | 0.729 | S | S | * | * | -169.6 | 110.9 | 123.3 | -96 | -59.1 | 0 | 0 | 0 | 113 | |||||
| 294 | N | 37.4 | Very low | 38.1 | Very low | 135 Ų | 135 | 129.9 Ų | 129.9 | 72% | 0.722 | 73% | 0.726 | S | S | * | * | trans | 29.4 | 121.7 | 139.7 | -152.1 | 11.3 | 0 | 0 | 0 | 121.7 | ||||
| 295 | T | 33.3 | Very low | 38.5 | Very low | 114 Ų | 114 | 127.9 Ų | 127.9 | 70% | 0.699 | 72% | 0.715 | S | S | * | * | trans | -11.6 | 133.6 | 139.9 | -2.6 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 296 | T | 37 | Very low | 38.8 | Very low | 122 Ų | 122 | 129 Ų | 129 | 75% | 0.748 | 71% | 0.712 | S | S | * | * | 179.6 | 126 | 109.3 | -70.3 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 297 | T | 36.3 | Very low | 39.3 | Very low | 119 Ų | 119 | 128.6 Ų | 128.6 | 73% | 0.73 | 71% | 0.709 | S | S | * | * | trans | -5.3 | 129.7 | 156 | -18.7 | 0 | 0 | 0 | 0 | 119 | ||||
| 298 | N | 37 | Very low | 39.4 | Very low | 127 Ų | 127 | 130.6 Ų | 130.6 | 68% | 0.679 | 71% | 0.713 | S | S | * | * | 155.5 | 158.6 | 87.8 | -151.3 | 6.2 | 0 | 0 | 0 | 114.3 | |||||
| 299 | N | 41 | Very low | 39.4 | Very low | 120 Ų | 120 | 129 Ų | 129 | 64% | 0.642 | 71% | 0.712 | S | S | * | * | trans | 63.6 | 112.1 | 157.1 | -69.8 | -23.4 | 0 | 0 | 0 | 122.2 | ||||
| 300 | N | 40.7 | Very low | 39.5 | Very low | 146 Ų | 146 | 124.3 Ų | 124.3 | 78% | 0.781 | 70% | 0.703 | S | S | * | * | 94.7 | 130.7 | 123.1 | -88.3 | -5.8 | 0 | 0 | 0 | 123.8 | |||||
| 301 | S | 42.8 | Very low | 39.6 | Very low | 84 Ų | 84 | 126.3 Ų | 126.3 | 59% | 0.587 | 71% | 0.713 | S | S | * | * | trans | 81 | 90.9 | 134.7 | -61.7 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 302 | N | 41 | Very low | 39.8 | Very low | 157 Ų | 157 | 129.8 Ų | 129.8 | 84% | 0.84 | 72% | 0.722 | S | S | * | * | 78.5 | 156.6 | 123.2 | -62.1 | -9.2 | 0 | 0 | 0 | 120.5 | |||||
| 303 | S | 41.1 | Very low | 40.3 | Very low | 104 Ų | 104 | 131.2 Ų | 131.2 | 73% | 0.727 | 73% | 0.73 | S | S | * | * | trans | 63.9 | 105.1 | -175.1 | -156.8 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 304 | S | 44.3 | Very low | 40.3 | Very low | 95 Ų | 95 | 126.5 Ų | 126.5 | 66% | 0.664 | 72% | 0.72 | S | S | * | * | 65 | 135.8 | 61.5 | 98.6 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 305 | I | 47.5 | Very low | 40.3 | Very low | 138 Ų | 138 | 127.4 Ų | 127.4 | 71% | 0.708 | 73% | 0.725 | S | S | * | * | cis | -154.5 | 142.1 | 27.6 | -143.4 | 153.9 | 0 | 0 | 0 | 113.5 | ||||
| 306 | N | 41.6 | Very low | 40.6 | Very low | 132 Ų | 132 | 129.2 Ų | 129.2 | 71% | 0.706 | 73% | 0.725 | S | S | * | * | trans | 62.7 | 154.6 | 152.4 | -70.9 | -6.5 | 0 | 0 | 0 | 121.2 | ||||
| 307 | I | 47.3 | Very low | 40.5 | Very low | 146 Ų | 146 | 132.5 Ų | 132.5 | 75% | 0.749 | 73% | 0.732 | S | S | * | * | cis | 138.7 | 101.3 | 44.6 | -65.4 | 150.9 | 0 | 0 | 0 | 112.6 | ||||
| 308 | N | 40.9 | Very low | 40.5 | Very low | 123 Ų | 123 | 132.7 Ų | 132.7 | 66% | 0.658 | 74% | 0.738 | S | S | * | * | cis | -158.6 | 163 | 4 | -168.8 | 15.5 | 0 | 0 | 0 | 111.2 | ||||
| 309 | S | 37.9 | Very low | 40.4 | Very low | 98 Ų | 98 | 130.9 Ų | 130.9 | 69% | 0.685 | 74% | 0.736 | S | S | * | * | trans | 63 | 145.7 | 146.8 | 60.5 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 310 | S | 38.9 | Very low | 40 | Very low | 97 Ų | 97 | 130.3 Ų | 130.3 | 68% | 0.678 | 74% | 0.741 | S | S | * | * | cis | -143.2 | 126.2 | 12.8 | 58.7 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 311 | I | 41.1 | Very low | 39.9 | Very low | 154 Ų | 154 | 131.7 Ų | 131.7 | 79% | 0.79 | 74% | 0.741 | S | S | * | * | trans | 50.4 | 95.3 | 134.1 | -47.1 | 173.1 | 0 | 0 | 0 | 117.6 | ||||
| 312 | F | 37.2 | Very low | 39.8 | Very low | 199 Ų | 199 | 135.6 Ų | 135.6 | 87% | 0.873 | 75% | 0.751 | S | S | * | * | -100.2 | 162.7 | 128.2 | -88.5 | -90.8 | 0 | 0 | 0 | 108.4 | |||||
| 313 | P | 44.4 | Very low | 39.6 | Very low | 119 Ų | 119 | 136.1 Ų | 136.1 | 77% | 0.773 | 75% | 0.754 | S | S | * | * | -124 | 117.6 | 119.8 | 33.5 | -29.8 | 0 | 0 | 0 | 111.9 | |||||
| 314 | N | 37.1 | Very low | 39.3 | Very low | 127 Ų | 127 | 136 Ų | 136 | 68% | 0.679 | 75% | 0.753 | S | S | * | * | trans | -69.9 | 132.5 | 158.6 | 179.2 | 7.6 | 0 | 0 | 0 | 108 | ||||
| 315 | N | 38.1 | Very low | 38.7 | Very low | 154 Ų | 154 | 138.1 Ų | 138.1 | 82% | 0.824 | 76% | 0.762 | S | S | * | * | trans | -128.3 | 119.1 | 166.6 | -162.8 | 11.4 | 0 | 0 | 0 | 109.3 | ||||
| 316 | Q | 38.7 | Very low | 38.3 | Very low | 152 Ų | 152 | 136.5 Ų | 136.5 | 71% | 0.71 | 76% | 0.763 | S | S | * | * | trans | -85.7 | 134.1 | -176.4 | -58.6 | 179.4 | 15.2 | 0 | 0 | 110.1 | ||||
| 317 | Q | 36.7 | Very low | 38.1 | Very low | 191 Ų | 191 | 139.7 Ų | 139.7 | 89% | 0.893 | 77% | 0.77 | S | S | * | * | trans | -151.9 | 108.1 | 149.5 | -118 | 169.4 | 22.2 | 0 | 0 | 111.4 | S319 | Q317-S319 PolarHBondContact O-N 3.16Š| ||
| 318 | S | 34.6 | Very low | 37.8 | Very low | 123 Ų | 123 | 137.7 Ų | 137.7 | 86% | 0.86 | 77% | 0.769 | S | S | * | * | trans | -71.5 | 122.4 | 174.8 | -53.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 319 | S | 35.1 | Very low | 37.7 | Very low | 89 Ų | 89 | 139 Ų | 139 | 62% | 0.622 | 78% | 0.776 | S | S | * | * | trans | -142.4 | 126.5 | 163 | 55.1 | 0 | 0 | 0 | 0 | 111.2 | Q317 | Q317-S319 PolarHBondContact O-N 3.16Š| ||
| 320 | S | 33.9 | Very low | 37.7 | Very low | 109 Ų | 109 | 143.5 Ų | 143.5 | 76% | 0.762 | 78% | 0.784 | S | S | * | * | trans | -78.9 | 121.8 | 174.2 | 175.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 321 | F | 37.6 | Very low | 37.8 | Very low | 175 Ų | 175 | 147.5 Ų | 147.5 | 77% | 0.768 | 79% | 0.794 | S | S | * | * | trans | -102.4 | 90 | 170 | -85.6 | -82.7 | 0 | 0 | 0 | 110.8 | ||||
| 322 | M | 41.6 | Very low | 37.7 | Very low | 165 Ų | 165 | 146 Ų | 146 | 81% | 0.813 | 79% | 0.787 | S | S | * | * | trans | -68.5 | 126.3 | 157.5 | -71.4 | -169.2 | 174.1 | 0 | 0 | 109.1 | S324 | M322-S324 VanDerWaalsContact C-N 3.25Å; M322-S324 PolarHBondContact O-N 3.13Å | ||
| 323 | L | 36.5 | Very low | 37.8 | Very low | 169 Ų | 169 | 144.3 Ų | 144.3 | 89% | 0.885 | 78% | 0.782 | S | S | * | * | trans | -73.7 | 81.2 | 169.5 | -84.7 | 77.1 | 0 | 0 | 0 | 110 | T325 | L323-T325 PolarHBondContact O-N 2.8Š| ||
| 324 | S | 33.9 | Very low | 37.8 | Very low | 101 Ų | 101 | 145.8 Ų | 145.8 | 71% | 0.706 | 78% | 0.784 | S | S | * | * | trans | -73.5 | 121.4 | 168.8 | -171.5 | 0 | 0 | 0 | 0 | 110.2 | M322 S326 | M322-S324 VanDerWaalsContact C-N 3.25Å; M322-S324 PolarHBondContact O-N 3.13Å; S324-S326 PolarHBondContact O-N 3.23Å; S324-S326 VanDerWaalsContact O-N 3.08Å | ||
| 325 | T | 32.7 | Very low | 38.1 | Very low | 139 Ų | 139 | 145.5 Ų | 145.5 | 85% | 0.853 | 78% | 0.782 | S | S | * | * | trans | -82.9 | 81.4 | -178.2 | 54.6 | 0 | 0 | 0 | 0 | 111.7 | L323 | L323-T325 PolarHBondContact O-N 2.8Š| ||
| 326 | S | 38.3 | Very low | 38.3 | Very low | 104 Ų | 104 | 146.3 Ų | 146.3 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | trans | -80.1 | 121.6 | 173.6 | -66.7 | 0 | 0 | 0 | 0 | 111.8 | S324 | S324-S326 PolarHBondContact O-N 3.23Å; S324-S326 VanDerWaalsContact O-N 3.08Å | ||
| 327 | K | 37.9 | Very low | 38.4 | Very low | 199 Ų | 199 | 145.9 Ų | 145.9 | 87% | 0.865 | 78% | 0.781 | S | S | * | * | trans | -68.5 | 126.5 | 163.4 | -76.9 | 179.5 | 172.9 | -178.7 | 0 | 109.4 | ||||
| 328 | S | 40.5 | Very low | 38.8 | Very low | 105 Ų | 105 | 142.8 Ų | 142.8 | 73% | 0.734 | 78% | 0.78 | S | S | * | * | trans | -102.6 | 110.9 | 156.5 | 45.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 329 | N | 38.7 | Very low | 39.4 | Very low | 150 Ų | 150 | 142.1 Ų | 142.1 | 80% | 0.802 | 78% | 0.776 | S | S | * | * | trans | -72.5 | 128.6 | 159.4 | -67.7 | -13.4 | 0 | 0 | 0 | 106.7 | ||||
| 330 | F | 37.8 | Very low | 39.8 | Very low | 193 Ų | 193 | 145 Ų | 145 | 85% | 0.846 | 78% | 0.784 | S | S | * | * | trans | -128.2 | 101.4 | 167.5 | -130.8 | -86.5 | 0 | 0 | 0 | 109.3 | ||||
| 331 | M | 41.1 | Very low | 40.6 | Very low | 181 Ų | 181 | 147.5 Ų | 147.5 | 89% | 0.892 | 79% | 0.789 | S | S | * | * | trans | -135.6 | 102.7 | 174.1 | -174.3 | 179.3 | -166.1 | 0 | 0 | 105.1 | ||||
| 332 | N | 38.8 | Very low | 40.9 | Very low | 121 Ų | 121 | 143.3 Ų | 143.3 | 65% | 0.647 | 78% | 0.781 | S | S | * | * | trans | -127.6 | 130.8 | 173.3 | -151.3 | 52.7 | 0 | 0 | 0 | 108.7 | D334 | N332-D334 PolarHBondContact ND2-OD2 3.22Š| ||
| 333 | Q | 40.9 | Very low | 41.3 | Very low | 164 Ų | 164 | 142.2 Ų | 142.2 | 77% | 0.766 | 78% | 0.779 | S | S | * | * | trans | -90 | 139.4 | 165.1 | -63.7 | 176.1 | -8.4 | 0 | 0 | 107.3 | ||||
| 334 | D | 44 | Very low | 41.7 | Very low | 150 Ų | 150 | 140.5 Ų | 140.5 | 80% | 0.802 | 77% | 0.771 | S | S | * | * | trans | -129.3 | 143.1 | 163.1 | -84.1 | -66.9 | 0 | 0 | 0 | 109.3 | N332 | N332-D334 PolarHBondContact ND2-OD2 3.22Š| ||
| 335 | N | 43.7 | Very low | 42 | Very low | 122 Ų | 122 | 141.4 Ų | 141.4 | 65% | 0.652 | 77% | 0.772 | S | S | * | * | trans | -147.4 | 127 | -147.9 | -163 | -1.6 | 0 | 0 | 0 | 112 | ||||
| 336 | K | 42.5 | Very low | 42.3 | Very low | 170 Ų | 170 | 140.6 Ų | 140.6 | 74% | 0.739 | 77% | 0.767 | S | S | * | * | trans | 74.2 | 141.5 | 157.4 | -84.6 | 166.4 | -175.6 | -179.1 | 0 | 122.7 | ||||
| 337 | N | 41 | Very low | 42.4 | Very low | 143 Ų | 143 | 141 Ų | 141 | 77% | 0.765 | 77% | 0.765 | S | S | * | * | trans | 85.9 | 99.5 | 136.5 | -73.4 | 13.4 | 0 | 0 | 0 | 122.8 | ||||
| 338 | S | 43.6 | Very low | 42.6 | Very low | 126 Ų | 126 | 137.4 Ų | 137.4 | 88% | 0.881 | 76% | 0.756 | S | S | * | * | -169.8 | 151.2 | 127.5 | -83.1 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 339 | S | 47.1 | Very low | 42.7 | Very low | 109 Ų | 109 | 138.3 Ų | 138.3 | 76% | 0.762 | 75% | 0.752 | S | S | * | * | cis | -156.2 | 158.6 | -12 | -179.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 340 | N | 44.1 | Very low | 43 | Very low | 150 Ų | 150 | 137 Ų | 137 | 80% | 0.802 | 75% | 0.746 | S | S | * | * | trans | -43.1 | 148.5 | -177 | -49.7 | -28.7 | 0 | 0 | 0 | 117.6 | ||||
| 341 | N | 50 | Low | 43.4 | Very low | 162 Ų | 162 | 134.6 Ų | 134.6 | 87% | 0.866 | 74% | 0.741 | S | S | * | * | -153.6 | 162.8 | 110.5 | -149.3 | -6.2 | 0 | 0 | 0 | 111.9 | |||||
| 342 | S | 45.1 | Very low | 43.4 | Very low | 86 Ų | 86 | 130.9 Ų | 130.9 | 60% | 0.601 | 73% | 0.733 | S | S | * | * | trans | -115.3 | 154.6 | -163.2 | -56.1 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 343 | N | 49 | Very low | 43.5 | Very low | 143 Ų | 143 | 130.7 Ų | 130.7 | 77% | 0.765 | 74% | 0.741 | S | S | * | * | 172.2 | 129 | 110.2 | -84.4 | -25.3 | 0 | 0 | 0 | 116.1 | |||||
| 344 | N | 44.3 | Very low | 43.7 | Very low | 132 Ų | 132 | 127.4 Ų | 127.4 | 71% | 0.706 | 74% | 0.736 | S | S | * | * | trans | 62.9 | 117.8 | 138.5 | -73.9 | 2.9 | 0 | 0 | 0 | 125.2 | ||||
| 345 | T | 41.4 | Very low | 43.7 | Very low | 121 Ų | 121 | 126.7 Ų | 126.7 | 74% | 0.742 | 73% | 0.732 | S | S | * | * | 66.5 | 143.8 | 127.9 | 61.8 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 346 | T | 39.3 | Very low | 43.6 | Very low | 121 Ų | 121 | 127 Ų | 127 | 74% | 0.742 | 73% | 0.734 | S | S | * | * | cis | -160.8 | 166.7 | -10.6 | -90.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 347 | T | 40.9 | Very low | 43.5 | Very low | 113 Ų | 113 | 125.3 Ų | 125.3 | 69% | 0.693 | 73% | 0.733 | S | S | * | * | trans | -55.6 | 167.9 | 176.2 | 57.3 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 348 | N | 41.2 | Very low | 43.4 | Very low | 123 Ų | 123 | 125.3 Ų | 125.3 | 66% | 0.658 | 74% | 0.739 | S | S | * | * | cis | -174.9 | 152.8 | 47.3 | -140.1 | 1.8 | 0 | 0 | 0 | 115.4 | ||||
| 349 | N | 42.5 | Very low | 43.1 | Very low | 124 Ų | 124 | 123.1 Ų | 123.1 | 66% | 0.663 | 74% | 0.736 | S | S | * | * | trans | 63.4 | 133 | 140.3 | -81.4 | -1 | 0 | 0 | 0 | 126.9 | ||||
| 350 | N | 45 | Very low | 42.9 | Very low | 124 Ų | 124 | 126.2 Ų | 126.2 | 66% | 0.663 | 74% | 0.738 | S | S | * | * | trans | 101.6 | 113.5 | 130.3 | -70.8 | 0.5 | 0 | 0 | 0 | 124.6 | ||||
| 351 | N | 45.8 | Very low | 42.9 | Very low | 142 Ų | 142 | 126 Ų | 126 | 76% | 0.759 | 74% | 0.736 | S | S | * | * | 95.7 | 130.2 | 122.2 | -78.3 | 0.8 | 0 | 0 | 0 | 125.5 | |||||
| 352 | S | 41 | Very low | 42.4 | Very low | 102 Ų | 102 | 121.9 Ų | 121.9 | 71% | 0.713 | 72% | 0.72 | S | S | * | * | trans | 88.7 | 110.8 | 138.8 | -65.6 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 353 | S | 41.8 | Very low | 42.2 | Very low | 117 Ų | 117 | 127.3 Ų | 127.3 | 82% | 0.818 | 73% | 0.733 | S | S | * | * | 46.7 | 138.7 | 115.7 | -62 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 354 | S | 45.1 | Very low | 41.7 | Very low | 96 Ų | 96 | 124 Ų | 124 | 67% | 0.671 | 73% | 0.733 | S | S | * | * | cis | -174 | 154.7 | 22.8 | 45.2 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 355 | N | 42.7 | Very low | 41.5 | Very low | 134 Ų | 134 | 124.4 Ų | 124.4 | 72% | 0.717 | 74% | 0.735 | S | S | * | * | trans | 59.8 | 112.8 | 135.9 | -62.8 | 3.2 | 0 | 0 | 0 | 124.6 | ||||
| 356 | N | 42.3 | Very low | 41.6 | Very low | 128 Ų | 128 | 127.5 Ų | 127.5 | 68% | 0.684 | 74% | 0.741 | S | S | * | * | 84.7 | 128.4 | 113.9 | -61.9 | -2.4 | 0 | 0 | 0 | 124.9 | |||||
| 357 | N | 41 | Very low | 41.6 | Very low | 136 Ų | 136 | 129.7 Ų | 129.7 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | trans | 83.1 | 104.8 | 135.1 | -66.2 | 1.1 | 0 | 0 | 0 | 123.3 | ||||
| 358 | T | 37.1 | Very low | 42.1 | Very low | 143 Ų | 143 | 128.2 Ų | 128.2 | 88% | 0.877 | 74% | 0.735 | S | S | * | * | 51 | 111.9 | 112.9 | -43.6 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 359 | G | 39.3 | Very low | 42.2 | Very low | 79 Ų | 79 | 129 Ų | 129 | 81% | 0.814 | 74% | 0.739 | S | S | * | * | trans | -165.8 | 113.9 | 169.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 360 | Q | 42.6 | Very low | 42.1 | Very low | 175 Ų | 175 | 129.4 Ų | 129.4 | 82% | 0.818 | 74% | 0.741 | S | S | * | * | trans | -55.8 | 158.1 | -177.6 | -100.1 | -179.7 | -10.7 | 0 | 0 | 119.9 | ||||
| 361 | L | 42.6 | Very low | 42.2 | Very low | 146 Ų | 146 | 129.9 Ų | 129.9 | 76% | 0.764 | 74% | 0.743 | S | S | * | * | trans | 64 | 151.6 | 147 | -61.3 | 161.7 | 0 | 0 | 0 | 119.5 | ||||
| 362 | S | 39.8 | Very low | 42 | Very low | 74 Ų | 74 | 129.7 Ų | 129.7 | 52% | 0.517 | 74% | 0.742 | S | S | . | * | cis | 164.8 | 154 | -24.8 | -176.8 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 363 | F | 41.2 | Very low | 41.9 | Very low | 200 Ų | 200 | 129 Ų | 129 | 88% | 0.877 | 74% | 0.738 | S | S | * | * | trans | 73.8 | 141.1 | 169.7 | -47.4 | -68.1 | 0 | 0 | 0 | 118.9 | ||||
| 364 | G | 38.3 | Very low | 42 | Very low | 75 Ų | 75 | 128.4 Ų | 128.4 | 77% | 0.773 | 73% | 0.733 | S | S | * | * | trans | 158.4 | 67.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 365 | N | 40.5 | Very low | 41.9 | Very low | 140 Ų | 140 | 128.9 Ų | 128.9 | 75% | 0.749 | 73% | 0.732 | S | S | * | * | trans | -54.8 | 150.4 | -178.2 | -43.2 | -23 | 0 | 0 | 0 | 114.6 | ||||
| 366 | H | 43.4 | Very low | 42.1 | Very low | 186 Ų | 186 | 129.9 Ų | 129.9 | 86% | 0.861 | 73% | 0.733 | S | S | * | * | -172.9 | 147.1 | 106.6 | -110.1 | -81.9 | 0 | 0 | 0 | 116.4 | |||||
| 367 | E | 39.9 | Very low | 42.3 | Very low | 167 Ų | 167 | 131.7 Ų | 131.7 | 78% | 0.78 | 74% | 0.737 | S | S | * | * | trans | -94.9 | -174.6 | 174.6 | -106.4 | -160 | 114.9 | 0 | 0 | 112 | ||||
| 368 | P | 50.2 | Low | 42.6 | Very low | 82 Ų | 82 | 133.1 Ų | 133.1 | 53% | 0.532 | 75% | 0.745 | S | S | . | * | cis | -141.2 | -148.3 | -36 | 38.2 | -17.1 | 0 | 0 | 0 | 112.8 | ||||
| 369 | N | 44.2 | Very low | 42.7 | Very low | 138 Ų | 138 | 133.7 Ų | 133.7 | 74% | 0.738 | 74% | 0.742 | S | S | * | * | trans | 85.5 | 143.2 | 166.6 | -53.4 | -46.3 | 0 | 0 | 0 | 116.3 | ||||
| 370 | N | 40.2 | Very low | 43.2 | Very low | 133 Ų | 133 | 136.9 Ų | 136.9 | 71% | 0.711 | 75% | 0.746 | S | S | * | * | cis | -160.5 | 141 | 34.2 | -127.4 | -7.3 | 0 | 0 | 0 | 115 | ||||
| 371 | L | 47.4 | Very low | 43.1 | Very low | 134 Ų | 134 | 134.9 Ų | 134.9 | 70% | 0.702 | 74% | 0.74 | S | S | * | * | trans | 60 | 146.5 | 136.7 | -70.6 | 168.9 | 0 | 0 | 0 | 126.1 | ||||
| 372 | N | 42.5 | Very low | 43 | Very low | 139 Ų | 139 | 136.7 Ų | 136.7 | 74% | 0.743 | 75% | 0.747 | S | S | * | * | trans | 77.6 | 144.1 | 150.1 | -67.6 | -4.5 | 0 | 0 | 0 | 121 | ||||
| 373 | S | 38.1 | Very low | 43.2 | Very low | 88 Ų | 88 | 137.9 Ų | 137.9 | 62% | 0.615 | 75% | 0.751 | S | S | * | * | cis | -174.5 | 148.7 | -18.7 | 50.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 374 | S | 42.8 | Very low | 42.9 | Very low | 103 Ų | 103 | 134.5 Ų | 134.5 | 72% | 0.72 | 74% | 0.743 | S | S | * | * | trans | 60.4 | 154.3 | 148.7 | 56.9 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 375 | T | 44.2 | Very low | 42.9 | Very low | 106 Ų | 106 | 138.9 Ų | 138.9 | 65% | 0.65 | 75% | 0.746 | S | S | * | * | cis | -153.7 | 145.7 | -0.4 | -2.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 376 | E | 46.5 | Very low | 43 | Very low | 156 Ų | 156 | 137.4 Ų | 137.4 | 73% | 0.729 | 74% | 0.743 | S | S | * | * | trans | 49.3 | 114.4 | 135.7 | -71.9 | 153.8 | -152.7 | 0 | 0 | 123.6 | ||||
| 377 | E | 47.6 | Very low | 42.8 | Very low | 166 Ų | 166 | 135.5 Ų | 135.5 | 78% | 0.776 | 74% | 0.739 | S | S | * | * | 62.2 | 124.5 | 119.4 | -63.6 | 172.1 | -153.5 | 0 | 0 | 122.4 | |||||
| 378 | N | 45.7 | Very low | 42.9 | Very low | 166 Ų | 166 | 133.7 Ų | 133.7 | 89% | 0.888 | 74% | 0.739 | S | S | * | * | -169 | 142.4 | 108.9 | -103.8 | -89.1 | 0 | 0 | 0 | 111.3 | |||||
| 379 | D | 40.7 | Very low | 42.5 | Very low | 155 Ų | 155 | 138.1 Ų | 138.1 | 83% | 0.829 | 75% | 0.752 | S | S | * | * | trans | -80.2 | 159.3 | 175.9 | -76.5 | -56.1 | 0 | 0 | 0 | 113.2 | ||||
| 380 | V | 49.2 | Very low | 42 | Very low | 146 Ų | 146 | 139.1 Ų | 139.1 | 89% | 0.885 | 76% | 0.758 | S | S | * | * | -157.2 | 129.2 | 123.8 | 164.3 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 381 | D | 39.9 | Very low | 42 | Very low | 132 Ų | 132 | 139.1 Ų | 139.1 | 71% | 0.706 | 76% | 0.763 | S | S | * | * | trans | -81.4 | 150.6 | 176.4 | -136.6 | -28.5 | 0 | 0 | 0 | 112.8 | ||||
| 382 | M | 41.4 | Very low | 41.6 | Very low | 184 Ų | 184 | 139.3 Ų | 139.3 | 91% | 0.906 | 77% | 0.77 | S | S | * | * | 177.6 | 169.2 | 118.8 | -96 | -159.2 | -158.5 | 0 | 0 | 114.4 | |||||
| 383 | T | 43.3 | Very low | 41.6 | Very low | 99 Ų | 99 | 139.3 Ų | 139.3 | 61% | 0.607 | 78% | 0.775 | S | S | * | * | trans | -133 | 178.8 | -152.2 | 50.9 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 384 | N | 34.5 | Very low | 41.6 | Very low | 130 Ų | 130 | 141.3 Ų | 141.3 | 70% | 0.695 | 78% | 0.783 | S | S | * | * | trans | 80.8 | 127.4 | 162 | -58.1 | -44 | 0 | 0 | 0 | 119.6 | ||||
| 385 | I | 39.7 | Very low | 41.6 | Very low | 166 Ų | 166 | 145.6 Ų | 145.6 | 85% | 0.851 | 79% | 0.792 | S | S | * | * | -159.2 | 99.2 | 99.7 | -91.3 | 153.4 | 0 | 0 | 0 | 106.4 | |||||
| 386 | T | 42.5 | Very low | 41.5 | Very low | 110 Ų | 110 | 144.2 Ų | 144.2 | 68% | 0.675 | 80% | 0.798 | S | S | * | * | 86.9 | 120 | 85.2 | -58.3 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 387 | N | 38.4 | Very low | 41.2 | Very low | 146 Ų | 146 | 141.3 Ų | 141.3 | 78% | 0.781 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -98 | 144.4 | 173.6 | -174.6 | 19.3 | 0 | 0 | 0 | 109.8 | ||
| 388 | V | 42.1 | Very low | 40.9 | Very low | 128 Ų | 128 | 139.2 Ų | 139.2 | 78% | 0.776 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -100.8 | 120.8 | -175.1 | -179.6 | 0 | 0 | 0 | 0 | 110.7 | ||
| 389 | Q | 40.9 | Very low | 40.6 | Very low | 175 Ų | 175 | 138.6 Ų | 138.6 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -101.5 | 153.6 | 172.8 | -72.9 | -174.8 | -49.2 | 0 | 0 | 111.8 | ||
| 390 | N | 35.1 | Very low | 40.8 | Very low | 160 Ų | 160 | 138 Ų | 138 | 86% | 0.856 | 80% | 0.804 | S | S | * | * | trans | -104.5 | 117.6 | 179.2 | -130.5 | 12 | 0 | 0 | 0 | 109.4 | ||||
| 391 | T | 40.4 | Very low | 40.3 | Very low | 133 Ų | 133 | 134.5 Ų | 134.5 | 82% | 0.816 | 80% | 0.797 | S | S | * | * | trans | -143.3 | 134.7 | 167.1 | 39.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 392 | T | 38.7 | Very low | 40.2 | Very low | 138 Ų | 138 | 135.5 Ų | 135.5 | 85% | 0.847 | 80% | 0.802 | S | S | * | * | trans | -127.1 | 120.7 | 180 | -47.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 393 | T | 42.2 | Very low | 40.1 | Very low | 138 Ų | 138 | 134.4 Ų | 134.4 | 85% | 0.847 | 80% | 0.798 | S | S | * | * | trans | -134.9 | 143.7 | 173.7 | -47.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 394 | V | 38.8 | Very low | 40.1 | Very low | 130 Ų | 130 | 135.7 Ų | 135.7 | 79% | 0.788 | 81% | 0.806 | S | S | * | * | trans | -83.8 | 144.6 | -165 | -177.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 395 | E | 42.4 | Very low | 40.3 | Very low | 194 Ų | 194 | 133.4 Ų | 133.4 | 91% | 0.907 | 81% | 0.813 | S | S | * | * | 173.3 | 151.5 | 129.9 | -95.2 | 172.5 | -158.9 | 0 | 0 | 110.3 | |||||
| 396 | G | 41.7 | Very low | 40.5 | Very low | 76 Ų | 76 | 130.6 Ų | 130.6 | 78% | 0.784 | 81% | 0.808 | S | S | * | * | trans | 160.3 | -4.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 397 | A | 39.3 | Very low | 40.7 | Very low | 96 Ų | 96 | 132 Ų | 132 | 79% | 0.793 | 82% | 0.816 | S | S | * | * | trans | 61.5 | 154.8 | 167 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 398 | S | 41 | Very low | 40.8 | Very low | 122 Ų | 122 | 131.3 Ų | 131.3 | 85% | 0.853 | 81% | 0.808 | S | S | * | * | trans | 63.3 | 147.2 | -179.5 | 69.4 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 399 | D | 40.1 | Very low | 41.2 | Very low | 153 Ų | 153 | 132.9 Ų | 132.9 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | cis | -133.9 | 173.3 | 0.5 | -156 | -3.3 | 0 | 0 | 0 | 112.1 | ||||
| 400 | V | 44.9 | Very low | 41.6 | Very low | 143 Ų | 143 | 127.8 Ų | 127.8 | 87% | 0.867 | 79% | 0.79 | S | S | * | * | trans | -89.6 | 123.1 | -169 | -178.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 401 | G | 38.8 | Very low | 42.3 | Very low | 72 Ų | 72 | 128.1 Ų | 128.1 | 74% | 0.742 | 79% | 0.785 | S | S | * | * | trans | -163 | 102.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 402 | N | 37.5 | Very low | 42.6 | Very low | 152 Ų | 152 | 128.5 Ų | 128.5 | 81% | 0.813 | 78% | 0.781 | S | S | * | * | trans | -99.6 | 104.9 | 179.4 | 178.5 | 24.6 | 0 | 0 | 0 | 111.1 | ||||
| 403 | I | 40.7 | Very low | 42.8 | Very low | 161 Ų | 161 | 126.8 Ų | 126.8 | 83% | 0.826 | 77% | 0.774 | S | S | * | * | trans | -134.1 | 131.4 | 171.7 | -60.9 | -177.1 | 0 | 0 | 0 | 110.5 | ||||
| 404 | T | 43.1 | Very low | 42.9 | Very low | 127 Ų | 127 | 124.2 Ų | 124.2 | 78% | 0.779 | 76% | 0.762 | S | S | * | * | trans | -86.2 | 135.5 | 178.5 | 51 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 405 | G | 38.2 | Very low | 43 | Very low | 81 Ų | 81 | 126.7 Ų | 126.7 | 84% | 0.835 | 76% | 0.763 | S | S | * | * | trans | 96.6 | 117.3 | 146.9 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 406 | S | 43.1 | Very low | 42.9 | Very low | 107 Ų | 107 | 120.2 Ų | 120.2 | 75% | 0.748 | 74% | 0.739 | S | S | * | * | trans | -163.6 | 118.6 | 134.5 | -175 | 0 | 0 | 0 | 0 | 108.6 | H408 | S406-H408 PolarHBondContact O-N 2.89Š| ||
| 407 | V | 47.3 | Very low | 43.2 | Very low | 139 Ų | 139 | 122 Ų | 122 | 84% | 0.842 | 74% | 0.736 | S | S | * | * | trans | -88.9 | 103.7 | 171.8 | -177.9 | 0 | 0 | 0 | 0 | 106.9 | E409 | V407-E409 PolarHBondContact O-N 3.5Å; V407-E409 VanDerWaalsContact O-N 3.09Å | ||
| 408 | H | 41.1 | Very low | 44 | Very low | 132 Ų | 132 | 124.2 Ų | 124.2 | 61% | 0.611 | 73% | 0.729 | S | S | * | * | trans | -72.1 | 104.5 | -171.6 | -142.7 | -83.2 | 0 | 0 | 0 | 110.9 | S406 S410 | S406-H408 PolarHBondContact O-N 2.89Å; H408-S410 PolarHBondContact CE1-OG 3.28Å; H408-S410 VanDerWaalsContact CE1-OG 3.31Å; H408-S410 PolarHBondContact ND1-OG 3.36Å; H408-S410 PolarHBondContact O-N 2.96Å | ||
| 409 | E | 48.9 | Very low | 44.1 | Very low | 161 Ų | 161 | 125.2 Ų | 125.2 | 75% | 0.752 | 72% | 0.724 | S | S | * | * | G | 310 helix | trans | -65.2 | -6.1 | -172.2 | -61.8 | -166.4 | 130.9 | 0 | 0 | 115.3 | V407 F411 L412 | V407-E409 PolarHBondContact O-N 3.5Å; V407-E409 VanDerWaalsContact O-N 3.09Å; E409-F411 PolarHBondContact O-N 2.94Å; E409-L412 PolarHBondContact O-N 2.96Å; E409-L412 VanDerWaalsContact O-N 3.1Å |
| 410 | S | 49.3 | Very low | 44.3 | Very low | 68 Ų | 68 | 126.4 Ų | 126.4 | 48% | 0.476 | 73% | 0.725 | S | S | . | * | G | 310 helix | trans | -59.3 | -13 | -175 | -50.4 | 0 | 0 | 0 | 0 | 115.6 | H408 L412 | H408-S410 PolarHBondContact CE1-OG 3.28Å; H408-S410 VanDerWaalsContact CE1-OG 3.31Å; H408-S410 PolarHBondContact ND1-OG 3.36Å; H408-S410 PolarHBondContact O-N 2.96Å; S410-L412 VanDerWaalsContact C-N 3.26Å; S410-L412 PolarHBondContact O-N 3.39Å |
| 411 | F | 50.2 | Low | 44 | Very low | 168 Ų | 168 | 124.1 Ų | 124.1 | 74% | 0.737 | 72% | 0.715 | S | S | * | * | G | 310 helix | trans | -72.7 | -12 | 174.6 | -74.3 | -77.4 | 0 | 0 | 0 | 114.5 | E409 S414 | E409-F411 PolarHBondContact O-N 2.94Å; F411-S414 PolarHBondContact O-OG 3.22Å; F411-S414 VanDerWaalsContact O-OG 3.12Å |
| 412 | L | 46.9 | Very low | 44.3 | Very low | 140 Ų | 140 | 130.1 Ų | 130.1 | 73% | 0.733 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -91.9 | -27 | 176.2 | -62.1 | -179.1 | 0 | 0 | 0 | 113.1 | E409 S410 S414 | E409-L412 PolarHBondContact O-N 2.96Å; E409-L412 VanDerWaalsContact O-N 3.1Å; S410-L412 VanDerWaalsContact C-N 3.26Å; S410-L412 PolarHBondContact O-N 3.39Å; L412-S414 VanDerWaalsContact C-N 3.27Å; L412-S414 PolarHBondContact O-N 2.85Å |
| 413 | S | 44.3 | Very low | 44.7 | Very low | 102 Ų | 102 | 129.1 Ų | 129.1 | 71% | 0.713 | 72% | 0.715 | S | S | * | * | G | 310 helix | trans | -72.7 | -16.5 | 180 | -48.8 | 0 | 0 | 0 | 0 | 114.1 | F415 | S413-F415 VanDerWaalsContact C-N 3.3Å; S413-F415 PolarHBondContact O-N 3.4Å |
| 414 | S | 42.9 | Very low | 44.5 | Very low | 84 Ų | 84 | 128.8 Ų | 128.8 | 59% | 0.587 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -77.7 | -8.3 | -178 | 53.1 | 0 | 0 | 0 | 0 | 114.4 | F411 L412 S416 | F411-S414 PolarHBondContact O-OG 3.22Å; F411-S414 VanDerWaalsContact O-OG 3.12Å; L412-S414 VanDerWaalsContact C-N 3.27Å; L412-S414 PolarHBondContact O-N 2.85Å; S414-S416 PolarHBondContact O-N 2.9Å |
| 415 | F | 42.2 | Very low | 44.6 | Very low | 183 Ų | 183 | 132.7 Ų | 132.7 | 80% | 0.803 | 72% | 0.721 | S | S | * | * | G | 310 helix | trans | -83.4 | 21.2 | 178.5 | -84.7 | -82.8 | 0 | 0 | 0 | 114.9 | S413 P417 | S413-F415 VanDerWaalsContact C-N 3.3Å; S413-F415 PolarHBondContact O-N 3.4Å; F415-P417 VanDerWaalsContact O-CD 3.28Å; F415-P417 WeakPolarHBondContact O-CD 3.41Å |
| 416 | S | 39.3 | Very low | 44.4 | Very low | 58 Ų | 58 | 132.5 Ų | 132.5 | 41% | 0.406 | 72% | 0.719 | S | S | . | * | trans | -92.5 | 104.9 | 168.6 | -176.9 | 0 | 0 | 0 | 0 | 110.9 | S414 F418 | S414-S416 PolarHBondContact O-N 2.9Å; S416-F418 PolarHBondContact O-N 3.25Å | ||
| 417 | P | 49.1 | Very low | 44.6 | Very low | 112 Ų | 112 | 134.7 Ų | 134.7 | 73% | 0.727 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.5 | 5.9 | -175.1 | 30.9 | -36.3 | 0 | 0 | 0 | 114.6 | F415 | F415-P417 VanDerWaalsContact O-CD 3.28Å; F415-P417 WeakPolarHBondContact O-CD 3.41Å |
| 418 | F | 55.6 | Low | 44.4 | Very low | 144 Ų | 144 | 133.8 Ų | 133.8 | 63% | 0.632 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.8 | -1.8 | -174.7 | -79.4 | -80.3 | 0 | 0 | 0 | 115.2 | S416 L450 | S416-F418 PolarHBondContact O-N 3.25Å; F418-L450 HydrophobicContact CE2-CD2 4.09Å; F418-L450 HydrophobicContact CZ-CD2 3.8Å |
| 419 | N | 43.2 | Very low | 44.1 | Very low | 142 Ų | 142 | 133.2 Ų | 133.2 | 76% | 0.759 | 73% | 0.73 | S | S | * | * | trans | -106.3 | 9.4 | -179.1 | -88.4 | -23.7 | 0 | 0 | 0 | 114.9 | ||||
| 420 | Q | 43.5 | Very low | 43.9 | Very low | 178 Ų | 178 | 131.4 Ų | 131.4 | 83% | 0.832 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -89.7 | 118.6 | 165.7 | -72.2 | -166.9 | 2.1 | 0 | 0 | 110.3 | F422 | Q420-F422 PolarHBondContact O-N 3.1Š|
| 421 | S | 39.3 | Very low | 43.8 | Very low | 95 Ų | 95 | 133.4 Ų | 133.4 | 66% | 0.664 | 74% | 0.739 | S | S | * | * | trans | -49.5 | 130.4 | -174.9 | -49.2 | 0 | 0 | 0 | 0 | 113.7 | I423 | S421-I423 PolarHBondContact O-N 3.36Š| ||
| 422 | F | 44.1 | Very low | 43.5 | Very low | 199 Ų | 199 | 133.9 Ų | 133.9 | 87% | 0.873 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -70.7 | 36.9 | 164.8 | -77.6 | -86.8 | 0 | 0 | 0 | 112.5 | Q420 | Q420-F422 PolarHBondContact O-N 3.1Š|
| 423 | I | 46.5 | Very low | 43.7 | Very low | 131 Ų | 131 | 131 Ų | 131 | 67% | 0.672 | 74% | 0.735 | S | S | * | * | trans | -129.1 | 83.1 | -168.8 | -50.9 | 175.8 | 0 | 0 | 0 | 108.5 | S421 | S421-I423 PolarHBondContact O-N 3.36Š| ||
| 424 | N | 35.9 | Very low | 44.1 | Very low | 153 Ų | 153 | 134.5 Ų | 134.5 | 82% | 0.818 | 74% | 0.738 | S | S | * | * | trans | 166.1 | 59.1 | 144.7 | -84.5 | -14.6 | 0 | 0 | 0 | 111.8 | ||||
| 425 | F | 46.6 | Very low | 44.2 | Very low | 209 Ų | 209 | 138.5 Ų | 138.5 | 92% | 0.917 | 74% | 0.741 | S | S | * | * | trans | -96.5 | 104.4 | 148.6 | -108.8 | -86.5 | 0 | 0 | 0 | 107.6 | L427 | F425-L427 PolarHBondContact O-N 3.5Å; F425-L427 VanDerWaalsContact O-N 3.1Å | ||
| 426 | G | 33.8 | Very low | 44.9 | Very low | 77 Ų | 77 | 134.5 Ų | 134.5 | 79% | 0.794 | 73% | 0.732 | S | S | * | * | trans | -69 | 104.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 427 | L | 46.3 | Very low | 45.8 | Very low | 153 Ų | 153 | 135.8 Ų | 135.8 | 80% | 0.801 | 74% | 0.737 | S | S | * | * | trans | -128.2 | 140.1 | 165.2 | -70.3 | 175.2 | 0 | 0 | 0 | 108.7 | F425 | F425-L427 PolarHBondContact O-N 3.5Å; F425-L427 VanDerWaalsContact O-N 3.1Å | ||
| 428 | P | 42.6 | Very low | 46.6 | Very low | 120 Ų | 120 | 137.1 Ų | 137.1 | 78% | 0.779 | 73% | 0.732 | S | S | * | * | trans | -67.7 | 137.3 | -173.6 | 26.9 | -34.4 | 0 | 0 | 0 | 112.3 | T430 | P428-T430 PolarHBondContact O-N 3.38Å; P428-T430 VanDerWaalsContact O-N 3.14Å | ||
| 429 | S | 36.1 | Very low | 47.6 | Very low | 121 Ų | 121 | 132.9 Ų | 132.9 | 85% | 0.846 | 72% | 0.72 | S | S | * | * | trans | -85.7 | 79.1 | -168.9 | 56.4 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 430 | T | 44.3 | Very low | 49.4 | Very low | 122 Ų | 122 | 134.4 Ų | 134.4 | 75% | 0.748 | 72% | 0.716 | S | S | * | * | trans | -148.7 | 80.4 | 167.3 | 51.9 | 0 | 0 | 0 | 0 | 113 | P428 | P428-T430 PolarHBondContact O-N 3.38Å; P428-T430 VanDerWaalsContact O-N 3.14Å | ||
| 431 | T | 46.9 | Very low | 51.2 | Low | 110 Ų | 110 | 129.6 Ų | 129.6 | 68% | 0.675 | 70% | 0.695 | S | S | * | * | trans | -179.8 | 110 | 147.7 | 16.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 432 | E | 43.5 | Very low | 53.5 | Low | 178 Ų | 178 | 128.7 Ų | 128.7 | 83% | 0.832 | 68% | 0.682 | S | S | * | * | trans | -88.2 | 174.5 | -169.6 | -59.1 | -172.5 | 138 | 0 | 0 | 113.7 | F434 | E432-F434 PolarHBondContact O-N 3.42Š| ||
| 433 | S | 52.5 | Low | 55.4 | Low | 80 Ų | 80 | 124.7 Ų | 124.7 | 56% | 0.559 | 67% | 0.666 | S | S | * | * | S | Bend | trans | 70.1 | -50 | 175.2 | 75.6 | 0 | 0 | 0 | 0 | 119 | T436 | S433-T436 PolarHBondContact O-OG1 3.03Š|
| 434 | F | 51 | Low | 57.4 | Low | 176 Ų | 176 | 124.2 Ų | 124.2 | 77% | 0.772 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -73.3 | -35.1 | -170 | -74.8 | -76.5 | 0 | 0 | 0 | 114.4 | E432 T436 | E432-F434 PolarHBondContact O-N 3.42Å; F434-T436 VanDerWaalsContact C-N 3.34Å; F434-T436 PolarHBondContact O-N 3.13Å |
| 435 | Y | 45.9 | Very low | 60 | Low | 168 Ų | 168 | 121.5 Ų | 121.5 | 66% | 0.659 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -69.8 | -26.1 | -176.9 | -71 | -76.2 | 0 | 0 | 0 | 114.1 | S439 | Y435-S439 WeakPolarHBondContact O-CB 3.25Å; Y435-S439 PolarHBondContact O-N 2.75Å |
| 436 | T | 55.9 | Low | 62.1 | Low | 98 Ų | 98 | 116.1 Ų | 116.1 | 60% | 0.601 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -73.8 | -39.4 | -177.5 | 55.8 | 0 | 0 | 0 | 0 | 112.2 | S433 F434 S439 R440 | S433-T436 PolarHBondContact O-OG1 3.03Å; F434-T436 VanDerWaalsContact C-N 3.34Å; F434-T436 PolarHBondContact O-N 3.13Å; T436-S439 PolarHBondContact O-N 2.93Å; T436-R440 WeakPolarHBondContact O-CB 3.33Å; T436-R440 PolarHBondContact O-N 2.82Å |
| 437 | T | 58.6 | Low | 64.9 | Low | 85 Ų | 85 | 120.3 Ų | 120.3 | 52% | 0.521 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -64.3 | -47.9 | 175.1 | -52.9 | 0 | 0 | 0 | 0 | 111.1 | S439 R440 D441 | T437-S439 VanDerWaalsContact C-N 3.32Å; T437-S439 PolarHBondContact O-N 3.01Å; T437-R440 WeakPolarHBondContact O-CB 3.4Å; T437-R440 PolarHBondContact O-N 2.94Å; T437-D441 PolarHBondContact O-N 3.23Å |
| 438 | F | 66.5 | Low | 67.1 | Low | 140 Ų | 140 | 118 Ų | 118 | 61% | 0.614 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -60.4 | -40.9 | 178.1 | -172.5 | -113.3 | 0 | 0 | 0 | 112.3 | R440 D441 I442 | F438-R440 PolarHBondContact O-N 2.96Å; F438-D441 PolarHBondContact O-N 3.19Å; F438-I442 HydrophobicContact CD1-CD1 3.81Å; F438-I442 HydrophobicContact CE1-CD1 3.47Å; F438-I442 VanDerWaalsContact CE1-CD1 3.47Å; F438-I442 HydrophobicContact CE2-CD1 4.3Å; F438-I442 HydrophobicContact CG-CD1 4.37Å; F438-I442 HydrophobicContact CZ-CD1 3.74Å; F438-I442 WeakPolarHBondContact O-CG1 3.49Å; F438-I442 PolarHBondContact O-N 2.81Å; F438-I442 VanDerWaalsContact O-N 3.12Å |
| 439 | S | 76.9 | Confident | 69.5 | Low | 56 Ų | 56 | 116.8 Ų | 116.8 | 39% | 0.392 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -60.3 | -43.4 | 172.6 | -174.1 | 0 | 0 | 0 | 0 | 112.2 | Y435 T436 T437 D441 I442 Q443 | Y435-S439 WeakPolarHBondContact O-CB 3.25Å; Y435-S439 PolarHBondContact O-N 2.75Å; T436-S439 PolarHBondContact O-N 2.93Å; T437-S439 VanDerWaalsContact C-N 3.32Å; T437-S439 PolarHBondContact O-N 3.01Å; S439-D441 PolarHBondContact O-N 2.89Å; S439-I442 PolarHBondContact O-N 3.46Å; S439-Q443 VanDerWaalsContact O-CG 3.31Å; S439-Q443 WeakPolarHBondContact O-CG 3.43Å; S439-Q443 PolarHBondContact O-N 3.46Å |
| 440 | R | 80.2 | Confident | 72.2 | Confident | 174 Ų | 174 | 114.7 Ų | 114.7 | 66% | 0.657 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -66.1 | -37.5 | -179.2 | -160.8 | 178.5 | -162 | 179.5 | 7.1 | 113 | T436 T437 F438 Q443 K444 | T436-R440 WeakPolarHBondContact O-CB 3.33Å; T436-R440 PolarHBondContact O-N 2.82Å; T437-R440 WeakPolarHBondContact O-CB 3.4Å; T437-R440 PolarHBondContact O-N 2.94Å; F438-R440 PolarHBondContact O-N 2.96Å; R440-Q443 PolarHBondContact O-N 3.44Å; R440-K444 WeakPolarHBondContact O-CG 3.15Å; R440-K444 PolarHBondContact O-N 3.43Å; R440-K444 VanDerWaalsContact O-N 3.07Å |
| 441 | D | 83.1 | Confident | 74.7 | Confident | 76 Ų | 76 | 114.9 Ų | 114.9 | 41% | 0.406 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -75.8 | -34.7 | 178.9 | -67.7 | -33.2 | 0 | 0 | 0 | 112.1 | T437 F438 S439 Q443 K444 E445 | T437-D441 PolarHBondContact O-N 3.23Å; F438-D441 PolarHBondContact O-N 3.19Å; S439-D441 PolarHBondContact O-N 2.89Å; D441-Q443 VanDerWaalsContact C-N 3.33Å; D441-Q443 PolarHBondContact O-N 2.86Å; D441-K444 PolarHBondContact O-N 2.94Å; D441-K444 WeakPolarHBondContact OD1-CE 3.45Å; D441-K444 IonicContact OD1-NZ 2.68Å; D441-K444 PolarHBondContact OD1-NZ 2.88Å; D441-E445 PolarHBondContact O-N 3.33Å |
| 442 | I | 87.1 | Confident | 76.9 | Confident | 77 Ų | 77 | 115.3 Ų | 115.3 | 40% | 0.395 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -61.6 | -41 | 167.7 | -70.8 | 170.4 | 0 | 0 | 0 | 111.2 | F438 S439 E445 L446 | F438-I442 HydrophobicContact CD1-CD1 3.81Å; F438-I442 HydrophobicContact CE1-CD1 3.47Å; F438-I442 VanDerWaalsContact CE1-CD1 3.47Å; F438-I442 HydrophobicContact CE2-CD1 4.3Å; F438-I442 HydrophobicContact CG-CD1 4.37Å; F438-I442 HydrophobicContact CZ-CD1 3.74Å; F438-I442 WeakPolarHBondContact O-CG1 3.49Å; F438-I442 PolarHBondContact O-N 2.81Å; F438-I442 VanDerWaalsContact O-N 3.12Å; S439-I442 PolarHBondContact O-N 3.46Å; I442-E445 PolarHBondContact O-N 3.41Å; I442-L446 HydrophobicContact CG2-CD1 3.85Å; I442-L446 HydrophobicContact CG2-CG 4.33Å; I442-L446 WeakPolarHBondContact O-CB 3.27Å; I442-L446 WeakPolarHBondContact O-CG 3.41Å; I442-L446 PolarHBondContact O-N 3.31Å |
| 443 | Q | 83.4 | Confident | 79.3 | Confident | 115 Ų | 115 | 111 Ų | 111 | 54% | 0.537 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.2 | -39.9 | 176.1 | -75.3 | 171 | -4 | 0 | 0 | 112.6 | S439 R440 D441 Y447 | S439-Q443 VanDerWaalsContact O-CG 3.31Å; S439-Q443 WeakPolarHBondContact O-CG 3.43Å; S439-Q443 PolarHBondContact O-N 3.46Å; R440-Q443 PolarHBondContact O-N 3.44Å; D441-Q443 VanDerWaalsContact C-N 3.33Å; D441-Q443 PolarHBondContact O-N 2.86Å; Q443-Y447 WeakPolarHBondContact O-CB 3.38Å; Q443-Y447 PolarHBondContact O-N 3.43Å |
| 444 | K | 89.3 | Confident | 81.3 | Confident | 120 Ų | 120 | 112.6 Ų | 112.6 | 52% | 0.522 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.7 | -46.2 | 173.2 | -69.1 | 170.1 | -168 | 164.9 | 0 | 111.7 | R440 D441 Y447 L448 | R440-K444 WeakPolarHBondContact O-CG 3.15Å; R440-K444 PolarHBondContact O-N 3.43Å; R440-K444 VanDerWaalsContact O-N 3.07Å; D441-K444 PolarHBondContact O-N 2.94Å; D441-K444 WeakPolarHBondContact OD1-CE 3.45Å; D441-K444 IonicContact OD1-NZ 2.68Å; D441-K444 PolarHBondContact OD1-NZ 2.88Å; K444-Y447 PolarHBondContact O-N 3.39Å; K444-L448 WeakPolarHBondContact O-CB 3.35Å; K444-L448 PolarHBondContact O-N 2.89Å |
| 445 | E | 88.8 | Confident | 83.4 | Confident | 96 Ų | 96 | 109.7 Ų | 109.7 | 45% | 0.449 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.8 | -45.1 | -179.5 | -179.4 | 58.2 | -158.4 | 0 | 0 | 111.3 | D441 I442 Y447 L448 Q449 | D441-E445 PolarHBondContact O-N 3.33Å; I442-E445 PolarHBondContact O-N 3.41Å; E445-Y447 VanDerWaalsContact C-N 3.33Å; E445-Y447 PolarHBondContact O-N 3.36Å; E445-L448 PolarHBondContact O-N 2.96Å; E445-Q449 WeakPolarHBondContact O-CB 3.5Å; E445-Q449 WeakPolarHBondContact O-CG 3.23Å; E445-Q449 PolarHBondContact O-N 3.25Å; E445-Q449 PolarHBondContact OE1-NE2 3.14Å |
| 446 | L | 91.3 | Very high | 85.8 | Confident | 96 Ų | 96 | 106.4 Ų | 106.4 | 50% | 0.503 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60 | -41.1 | 174.1 | -73.3 | 169.8 | 0 | 0 | 0 | 112.4 | I442 L450 | I442-L446 HydrophobicContact CG2-CD1 3.85Å; I442-L446 HydrophobicContact CG2-CG 4.33Å; I442-L446 WeakPolarHBondContact O-CB 3.27Å; I442-L446 WeakPolarHBondContact O-CG 3.41Å; I442-L446 PolarHBondContact O-N 3.31Å; L446-L450 VanDerWaalsContact O-CB 3.3Å; L446-L450 WeakPolarHBondContact O-CB 3.31Å; L446-L450 PolarHBondContact O-N 3.08Å |
| 447 | Y | 92 | Very high | 87.8 | Confident | 166 Ų | 166 | 108.5 Ų | 108.5 | 65% | 0.651 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -66.5 | -39.9 | 175.8 | -179.7 | -98.8 | 0 | 0 | 0 | 112.4 | Q443 K444 E445 L450 K451 | Q443-Y447 WeakPolarHBondContact O-CB 3.38Å; Q443-Y447 PolarHBondContact O-N 3.43Å; K444-Y447 PolarHBondContact O-N 3.39Å; E445-Y447 VanDerWaalsContact C-N 3.33Å; E445-Y447 PolarHBondContact O-N 3.36Å; Y447-L450 PolarHBondContact O-N 3.15Å; Y447-K451 WeakPolarHBondContact O-CB 3.46Å; Y447-K451 PolarHBondContact O-N 3.42Å |
| 448 | L | 93.7 | Very high | 89.3 | Confident | 103 Ų | 103 | 108.9 Ų | 108.9 | 54% | 0.539 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.6 | -43.7 | 177.2 | -175.6 | 60.9 | 0 | 0 | 0 | 111.6 | K444 E445 K451 Q452 | K444-L448 WeakPolarHBondContact O-CB 3.35Å; K444-L448 PolarHBondContact O-N 2.89Å; E445-L448 PolarHBondContact O-N 2.96Å; L448-K451 PolarHBondContact O-N 3.12Å; L448-Q452 PolarHBondContact O-N 2.93Å |
| 449 | Q | 92.5 | Very high | 90.6 | Very high | 95 Ų | 95 | 105 Ų | 105 | 44% | 0.444 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.9 | -43.7 | 173.6 | -71.5 | 179.2 | 14.3 | 0 | 0 | 111.6 | E445 K451 Q452 E453 | E445-Q449 WeakPolarHBondContact O-CB 3.5Å; E445-Q449 WeakPolarHBondContact O-CG 3.23Å; E445-Q449 PolarHBondContact O-N 3.25Å; E445-Q449 PolarHBondContact OE1-NE2 3.14Å; Q449-K451 VanDerWaalsContact C-N 3.35Å; Q449-K451 PolarHBondContact O-N 2.65Å; Q449-Q452 PolarHBondContact O-N 3.15Å; Q449-E453 WeakPolarHBondContact O-CB 3.37Å; Q449-E453 PolarHBondContact O-N 3.12Å |
| 450 | L | 93.8 | Very high | 91.5 | Very high | 77 Ų | 77 | 106.8 Ų | 106.8 | 40% | 0.403 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.1 | -39.9 | 176.7 | -175.6 | 66.3 | 0 | 0 | 0 | 112 | F418 L446 Y447 E453 H454 | F418-L450 HydrophobicContact CE2-CD2 4.09Å; F418-L450 HydrophobicContact CZ-CD2 3.8Å; L446-L450 VanDerWaalsContact O-CB 3.3Å; L446-L450 WeakPolarHBondContact O-CB 3.31Å; L446-L450 PolarHBondContact O-N 3.08Å; Y447-L450 PolarHBondContact O-N 3.15Å; L450-E453 PolarHBondContact O-N 3.28Å; L450-H454 WeakPolarHBondContact O-CB 3.46Å; L450-H454 PolarHBondContact O-N 2.81Å |
| 451 | K | 95 | Very high | 92.2 | Very high | 126 Ų | 126 | 103.2 Ų | 103.2 | 55% | 0.548 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.3 | -47.8 | 173.8 | -177.5 | -177.6 | 174.6 | -175 | 0 | 111.3 | Y447 L448 Q449 E453 H454 E455 | Y447-K451 WeakPolarHBondContact O-CB 3.46Å; Y447-K451 PolarHBondContact O-N 3.42Å; L448-K451 PolarHBondContact O-N 3.12Å; Q449-K451 VanDerWaalsContact C-N 3.35Å; Q449-K451 PolarHBondContact O-N 2.65Å; K451-E453 VanDerWaalsContact C-N 3.32Å; K451-E453 PolarHBondContact O-N 2.94Å; K451-H454 PolarHBondContact O-N 2.73Å; K451-E455 WeakPolarHBondContact O-CB 3.24Å; K451-E455 PolarHBondContact O-N 2.68Å |
| 452 | Q | 94.9 | Very high | 92.8 | Very high | 120 Ų | 120 | 105.8 Ų | 105.8 | 56% | 0.561 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -62.8 | -38.9 | 178 | -170.6 | -178.5 | 29.8 | 0 | 0 | 111.8 | L448 Q449 E455 L456 | L448-Q452 PolarHBondContact O-N 2.93Å; Q449-Q452 PolarHBondContact O-N 3.15Å; Q452-E455 PolarHBondContact O-N 3.03Å; Q452-L456 HydrophobicContact CG-CD1 4.35Å; Q452-L456 VanDerWaalsContact O-CG 3.32Å; Q452-L456 WeakPolarHBondContact O-CG 3.39Å; Q452-L456 PolarHBondContact O-N 3Å |
| 453 | E | 92.5 | Very high | 93.3 | Very high | 87 Ų | 87 | 107 Ų | 107 | 41% | 0.407 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.1 | -40.5 | 176.1 | -152.6 | -152.4 | 154.3 | 0 | 0 | 111.8 | Q449 L450 K451 L456 R457 | Q449-E453 WeakPolarHBondContact O-CB 3.37Å; Q449-E453 PolarHBondContact O-N 3.12Å; L450-E453 PolarHBondContact O-N 3.28Å; K451-E453 VanDerWaalsContact C-N 3.32Å; K451-E453 PolarHBondContact O-N 2.94Å; E453-L456 PolarHBondContact O-N 3.38Å; E453-R457 VanDerWaalsContact CD-NH2 3.31Å; E453-R457 WeakPolarHBondContact O-CB 3.31Å; E453-R457 WeakPolarHBondContact O-CG 3.46Å; E453-R457 PolarHBondContact O-N 3.32Å; E453-R457 IonicContact OE1-CZ 2.71Å; E453-R457 IonicContact OE1-NE 3.14Å; E453-R457 PolarHBondContact OE1-NE 3.47Å; E453-R457 IonicContact OE1-NH2 3.97Å; E453-R457 PolarHBondContact OE1-NH2 3.31Å; E453-R457 IonicContact OE2-CZ 3.29Å; E453-R457 IonicContact OE2-NE 2.75Å; E453-R457 IonicContact OE2-NH2 2.94Å; E453-R457 PolarHBondContact OE2-NH2 3.43Å |
| 454 | H | 95.9 | Very high | 93.9 | Very high | 114 Ų | 114 | 106.9 Ų | 106.9 | 53% | 0.528 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.2 | -45.7 | 174.2 | 179 | 81.3 | 0 | 0 | 0 | 111.8 | L450 K451 L456 R457 M458 | L450-H454 WeakPolarHBondContact O-CB 3.46Å; L450-H454 PolarHBondContact O-N 2.81Å; K451-H454 PolarHBondContact O-N 2.73Å; H454-L456 PolarHBondContact O-N 2.83Å; H454-R457 PolarHBondContact O-N 2.84Å; H454-M458 VanDerWaalsContact O-CG 3.32Å; H454-M458 WeakPolarHBondContact O-CG 3.36Å; H454-M458 PolarHBondContact O-N 3.09Å |
| 455 | E | 95.1 | Very high | 94.2 | Very high | 114 Ų | 114 | 108 Ų | 108 | 53% | 0.533 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -58 | -48.8 | 176.3 | -170.3 | 170.7 | 172.5 | 0 | 0 | 111.5 | K451 Q452 R457 M458 D459 | K451-E455 WeakPolarHBondContact O-CB 3.24Å; K451-E455 PolarHBondContact O-N 2.68Å; Q452-E455 PolarHBondContact O-N 3.03Å; E455-R457 PolarHBondContact O-N 2.82Å; E455-M458 PolarHBondContact O-N 3.31Å; E455-D459 PolarHBondContact O-N 3.39Å |
| 456 | L | 96.3 | Very high | 94.4 | Very high | 99 Ų | 99 | 108.5 Ų | 108.5 | 52% | 0.518 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.2 | -37.9 | 175.4 | -71 | 170.6 | 0 | 0 | 0 | 113.2 | Q452 E453 H454 D459 I460 | Q452-L456 HydrophobicContact CG-CD1 4.35Å; Q452-L456 VanDerWaalsContact O-CG 3.32Å; Q452-L456 WeakPolarHBondContact O-CG 3.39Å; Q452-L456 PolarHBondContact O-N 3Å; E453-L456 PolarHBondContact O-N 3.38Å; H454-L456 PolarHBondContact O-N 2.83Å; L456-D459 PolarHBondContact O-N 3.39Å; L456-I460 WeakPolarHBondContact O-CD1 3.44Å; L456-I460 VanDerWaalsContact O-CG1 3.27Å; L456-I460 WeakPolarHBondContact O-CG1 3.37Å; L456-I460 PolarHBondContact O-N 3.33Å |
| 457 | R | 96.2 | Very high | 94.6 | Very high | 142 Ų | 142 | 107.4 Ų | 107.4 | 54% | 0.536 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.8 | -41.7 | 174.4 | -74 | 167.9 | 178.3 | -151.9 | 11.2 | 111.4 | E453 H454 E455 I460 L461 | E453-R457 VanDerWaalsContact CD-NH2 3.31Å; E453-R457 WeakPolarHBondContact O-CB 3.31Å; E453-R457 WeakPolarHBondContact O-CG 3.46Å; E453-R457 PolarHBondContact O-N 3.32Å; E453-R457 IonicContact OE1-CZ 2.71Å; E453-R457 IonicContact OE1-NE 3.14Å; E453-R457 PolarHBondContact OE1-NE 3.47Å; E453-R457 IonicContact OE1-NH2 3.97Å; E453-R457 PolarHBondContact OE1-NH2 3.31Å; E453-R457 IonicContact OE2-CZ 3.29Å; E453-R457 IonicContact OE2-NE 2.75Å; E453-R457 IonicContact OE2-NH2 2.94Å; E453-R457 PolarHBondContact OE2-NH2 3.43Å; H454-R457 PolarHBondContact O-N 2.84Å; E455-R457 PolarHBondContact O-N 2.82Å; R457-I460 PolarHBondContact O-N 2.91Å; R457-L461 WeakPolarHBondContact O-CG 3.17Å; R457-L461 PolarHBondContact O-N 3.14Å; R457-L461 VanDerWaalsContact O-N 3.08Å |
| 458 | M | 90.6 | Very high | 94.7 | Very high | 94 Ų | 94 | 106 Ų | 106 | 46% | 0.463 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -68.3 | -35.8 | 177.5 | -67.4 | -64.4 | -82.8 | 0 | 0 | 112.4 | H454 E455 L461 R462 | H454-M458 VanDerWaalsContact O-CG 3.32Å; H454-M458 WeakPolarHBondContact O-CG 3.36Å; H454-M458 PolarHBondContact O-N 3.09Å; E455-M458 PolarHBondContact O-N 3.31Å; M458-L461 PolarHBondContact O-N 2.79Å; M458-L461 HydrophobicContact SD-CD1 4.2Å; M458-R462 PolarHBondContact O-N 2.98Å |
| 459 | D | 94.7 | Very high | 94.8 | Very high | 58 Ų | 58 | 104.8 Ų | 104.8 | 31% | 0.31 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.3 | -43.3 | 172.9 | -82.7 | 10.9 | 0 | 0 | 0 | 112.5 | E455 L456 L461 R462 L463 | E455-D459 PolarHBondContact O-N 3.39Å; L456-D459 PolarHBondContact O-N 3.39Å; D459-L461 VanDerWaalsContact C-N 3.35Å; D459-L461 PolarHBondContact O-N 3.26Å; D459-R462 WeakPolarHBondContact O-CB 3.43Å; D459-R462 PolarHBondContact O-N 3.02Å; D459-R462 IonicContact OD1-CZ 2.71Å; D459-R462 IonicContact OD1-NH1 2.76Å; D459-R462 PolarHBondContact OD1-NH1 2.92Å; D459-R462 IonicContact OD1-NH2 2.72Å; D459-R462 PolarHBondContact OD1-NH2 2.89Å; D459-L463 WeakPolarHBondContact O-CG 3.45Å; D459-L463 PolarHBondContact O-N 2.87Å |
| 460 | I | 95.5 | Very high | 95 | Very high | 94 Ų | 94 | 106 Ų | 106 | 48% | 0.482 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.5 | -44.9 | 174.3 | -71.2 | 163.9 | 0 | 0 | 0 | 110.8 | L456 R457 R462 L463 Q464 | L456-I460 WeakPolarHBondContact O-CD1 3.44Å; L456-I460 VanDerWaalsContact O-CG1 3.27Å; L456-I460 WeakPolarHBondContact O-CG1 3.37Å; L456-I460 PolarHBondContact O-N 3.33Å; R457-I460 PolarHBondContact O-N 2.91Å; I460-R462 VanDerWaalsContact C-N 3.32Å; I460-R462 PolarHBondContact O-N 2.91Å; I460-L463 PolarHBondContact O-N 2.94Å; I460-Q464 HydrophobicContact CG2-CG 4.44Å; I460-Q464 WeakPolarHBondContact O-CB 3.32Å; I460-Q464 VanDerWaalsContact O-CG 3.3Å; I460-Q464 WeakPolarHBondContact O-CG 3.36Å; I460-Q464 PolarHBondContact O-N 3.15Å |
| 461 | L | 94.8 | Very high | 95 | Very high | 98 Ų | 98 | 107.9 Ų | 107.9 | 51% | 0.513 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.5 | -37.9 | 176 | -71.4 | 168.3 | 0 | 0 | 0 | 112.2 | R457 M458 D459 Q464 K465 | R457-L461 WeakPolarHBondContact O-CG 3.17Å; R457-L461 PolarHBondContact O-N 3.14Å; R457-L461 VanDerWaalsContact O-N 3.08Å; M458-L461 PolarHBondContact O-N 2.79Å; M458-L461 HydrophobicContact SD-CD1 4.2Å; D459-L461 VanDerWaalsContact C-N 3.35Å; D459-L461 PolarHBondContact O-N 3.26Å; L461-Q464 PolarHBondContact O-N 3.42Å; L461-K465 WeakPolarHBondContact O-CB 3.45Å; L461-K465 PolarHBondContact O-N 3.4Å |
| 462 | R | 96 | Very high | 94.9 | Very high | 131 Ų | 131 | 105.2 Ų | 105.2 | 49% | 0.494 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.8 | -43.6 | 176.4 | -157.4 | -174.8 | -49.8 | 105 | 9.3 | 111.7 | M458 D459 I460 K465 Q466 | M458-R462 PolarHBondContact O-N 2.98Å; D459-R462 WeakPolarHBondContact O-CB 3.43Å; D459-R462 PolarHBondContact O-N 3.02Å; D459-R462 IonicContact OD1-CZ 2.71Å; D459-R462 IonicContact OD1-NH1 2.76Å; D459-R462 PolarHBondContact OD1-NH1 2.92Å; D459-R462 IonicContact OD1-NH2 2.72Å; D459-R462 PolarHBondContact OD1-NH2 2.89Å; I460-R462 VanDerWaalsContact C-N 3.32Å; I460-R462 PolarHBondContact O-N 2.91Å; R462-K465 PolarHBondContact O-N 3.04Å; R462-Q466 WeakPolarHBondContact O-CG 3.35Å; R462-Q466 PolarHBondContact O-N 3.03Å |
| 463 | L | 96.3 | Very high | 94.9 | Very high | 101 Ų | 101 | 104 Ų | 104 | 53% | 0.529 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.3 | -44.7 | 175.4 | -72.9 | 167.8 | 0 | 0 | 0 | 111.6 | D459 I460 K465 Q466 T467 | D459-L463 WeakPolarHBondContact O-CG 3.45Å; D459-L463 PolarHBondContact O-N 2.87Å; I460-L463 PolarHBondContact O-N 2.94Å; L463-K465 VanDerWaalsContact C-N 3.34Å; L463-K465 PolarHBondContact O-N 3.26Å; L463-Q466 PolarHBondContact O-N 2.89Å; L463-Q466 VanDerWaalsContact O-N 3.16Å; L463-T467 PolarHBondContact O-N 2.91Å; L463-T467 PolarHBondContact O-OG1 3.07Å |
| 464 | Q | 95.8 | Very high | 94.9 | Very high | 113 Ų | 113 | 105.7 Ų | 105.7 | 53% | 0.528 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58.3 | -44.1 | 174.9 | -75 | 173.5 | -12.3 | 0 | 0 | 111.9 | I460 L461 Q466 T467 W468 | I460-Q464 HydrophobicContact CG2-CG 4.44Å; I460-Q464 WeakPolarHBondContact O-CB 3.32Å; I460-Q464 VanDerWaalsContact O-CG 3.3Å; I460-Q464 WeakPolarHBondContact O-CG 3.36Å; I460-Q464 PolarHBondContact O-N 3.15Å; L461-Q464 PolarHBondContact O-N 3.42Å; Q464-Q466 PolarHBondContact O-N 3.15Å; Q464-T467 PolarHBondContact O-N 3.35Å; Q464-W468 WeakPolarHBondContact O-CB 3.4Å; Q464-W468 PolarHBondContact O-N 2.9Å |
| 465 | K | 96 | Very high | 94.8 | Very high | 145 Ų | 145 | 105.8 Ų | 105.8 | 63% | 0.63 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -60.4 | -42.6 | 174.7 | -176.6 | 176.7 | 180 | 176.9 | 0 | 112.2 | L461 R462 L463 L469 | L461-K465 WeakPolarHBondContact O-CB 3.45Å; L461-K465 PolarHBondContact O-N 3.4Å; R462-K465 PolarHBondContact O-N 3.04Å; L463-K465 VanDerWaalsContact C-N 3.34Å; L463-K465 PolarHBondContact O-N 3.26Å; K465-L469 HydrophobicContact CG-CD1 4.38Å; K465-L469 VanDerWaalsContact O-CG 3.32Å; K465-L469 WeakPolarHBondContact O-CG 3.33Å; K465-L469 PolarHBondContact O-N 2.92Å; K465-L469 VanDerWaalsContact O-N 3.07Å |
| 466 | Q | 94.3 | Very high | 94.7 | Very high | 106 Ų | 106 | 106.8 Ų | 106.8 | 50% | 0.495 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.9 | -44.7 | 175.4 | -73.9 | 175.2 | -26 | 0 | 0 | 112.1 | R462 L463 Q464 W468 L469 L470 | R462-Q466 WeakPolarHBondContact O-CG 3.35Å; R462-Q466 PolarHBondContact O-N 3.03Å; L463-Q466 PolarHBondContact O-N 2.89Å; L463-Q466 VanDerWaalsContact O-N 3.16Å; Q464-Q466 PolarHBondContact O-N 3.15Å; Q466-W468 VanDerWaalsContact C-N 3.35Å; Q466-W468 PolarHBondContact O-N 3.28Å; Q466-L469 PolarHBondContact O-N 3.07Å; Q466-L470 WeakPolarHBondContact O-CG 3.42Å; Q466-L470 PolarHBondContact O-N 3Å |
| 467 | T | 93.8 | Very high | 94.5 | Very high | 72 Ų | 72 | 108.6 Ų | 108.6 | 44% | 0.442 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60 | -43.2 | 176.4 | -55.2 | 0 | 0 | 0 | 0 | 111.8 | L463 Q464 L470 Q471 | L463-T467 PolarHBondContact O-N 2.91Å; L463-T467 PolarHBondContact O-OG1 3.07Å; Q464-T467 PolarHBondContact O-N 3.35Å; T467-L470 PolarHBondContact O-N 2.96Å; T467-Q471 WeakPolarHBondContact O-CG 3.43Å; T467-Q471 PolarHBondContact O-N 3.4Å |
| 468 | W | 95.6 | Very high | 94.1 | Very high | 136 Ų | 136 | 106.6 Ų | 106.6 | 52% | 0.515 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.3 | -41.5 | 176.6 | -179.2 | 83.8 | 0 | 0 | 0 | 112.5 | Q464 Q466 L470 Q471 M472 | Q464-W468 WeakPolarHBondContact O-CB 3.4Å; Q464-W468 PolarHBondContact O-N 2.9Å; Q466-W468 VanDerWaalsContact C-N 3.35Å; Q466-W468 PolarHBondContact O-N 3.28Å; W468-L470 PolarHBondContact O-N 2.83Å; W468-Q471 PolarHBondContact O-N 2.64Å; W468-M472 HydrophobicContact CD2-CG 4.13Å; W468-M472 HydrophobicContact CE3-CG 4.39Å; W468-M472 HydrophobicContact CH2-CG 4.16Å; W468-M472 HydrophobicContact CZ2-CG 3.87Å; W468-M472 HydrophobicContact CZ2-SD 4.31Å; W468-M472 HydrophobicContact CZ3-CG 4.41Å; W468-M472 WeakPolarHBondContact O-CB 3.49Å; W468-M472 WeakPolarHBondContact O-CG 3.48Å; W468-M472 PolarHBondContact O-N 3.25Å |
| 469 | L | 95.9 | Very high | 94.1 | Very high | 78 Ų | 78 | 107.9 Ų | 107.9 | 41% | 0.408 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.8 | -40.4 | 174.1 | -73.1 | 169.2 | 0 | 0 | 0 | 112.2 | K465 Q466 M472 N473 | K465-L469 HydrophobicContact CG-CD1 4.38Å; K465-L469 VanDerWaalsContact O-CG 3.32Å; K465-L469 WeakPolarHBondContact O-CG 3.33Å; K465-L469 PolarHBondContact O-N 2.92Å; K465-L469 VanDerWaalsContact O-N 3.07Å; Q466-L469 PolarHBondContact O-N 3.07Å; L469-M472 PolarHBondContact O-N 2.71Å; L469-N473 WeakPolarHBondContact O-CB 3.34Å; L469-N473 VanDerWaalsContact O-CG 3.27Å; L469-N473 PolarHBondContact O-N 3.15Å; L469-N473 PolarHBondContact O-ND2 3.25Å |
| 470 | L | 95.9 | Very high | 93.7 | Very high | 122 Ų | 122 | 107.6 Ų | 107.6 | 64% | 0.639 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.8 | -45.2 | 174.5 | -76.1 | 161.3 | 0 | 0 | 0 | 111.7 | Q466 T467 W468 N473 L474 | Q466-L470 WeakPolarHBondContact O-CG 3.42Å; Q466-L470 PolarHBondContact O-N 3Å; T467-L470 PolarHBondContact O-N 2.96Å; W468-L470 PolarHBondContact O-N 2.83Å; L470-N473 PolarHBondContact O-N 3.35Å; L470-L474 WeakPolarHBondContact O-CB 3.46Å; L470-L474 PolarHBondContact O-N 3.37Å |
| 471 | Q | 94.3 | Very high | 93.1 | Very high | 115 Ų | 115 | 108.8 Ų | 108.8 | 54% | 0.537 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.3 | -44.2 | 175 | -73.1 | 172.3 | -16.4 | 0 | 0 | 112 | T467 W468 N473 L474 F475 | T467-Q471 WeakPolarHBondContact O-CG 3.43Å; T467-Q471 PolarHBondContact O-N 3.4Å; W468-Q471 PolarHBondContact O-N 2.64Å; Q471-N473 PolarHBondContact O-N 3.36Å; Q471-L474 PolarHBondContact O-N 3.22Å; Q471-F475 WeakPolarHBondContact O-CB 3.11Å; Q471-F475 PolarHBondContact O-N 3.05Å |
| 472 | M | 92.8 | Very high | 92.6 | Very high | 70 Ų | 70 | 109.8 Ų | 109.8 | 35% | 0.345 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.2 | -39.2 | 175.8 | -77.3 | -67.2 | 105.4 | 0 | 0 | 112.7 | W468 L469 K476 | W468-M472 HydrophobicContact CD2-CG 4.13Å; W468-M472 HydrophobicContact CE3-CG 4.39Å; W468-M472 HydrophobicContact CH2-CG 4.16Å; W468-M472 HydrophobicContact CZ2-CG 3.87Å; W468-M472 HydrophobicContact CZ2-SD 4.31Å; W468-M472 HydrophobicContact CZ3-CG 4.41Å; W468-M472 WeakPolarHBondContact O-CB 3.49Å; W468-M472 WeakPolarHBondContact O-CG 3.48Å; W468-M472 PolarHBondContact O-N 3.25Å; L469-M472 PolarHBondContact O-N 2.71Å; M472-K476 WeakPolarHBondContact O-CB 3.34Å; M472-K476 VanDerWaalsContact O-CG 3.27Å; M472-K476 WeakPolarHBondContact O-CG 3.43Å; M472-K476 PolarHBondContact O-N 3.36Å |
| 473 | N | 94.1 | Very high | 91.7 | Very high | 94 Ų | 94 | 107.4 Ų | 107.4 | 50% | 0.503 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -70 | -38.4 | 176.6 | -72.7 | -18 | 0 | 0 | 0 | 112.1 | L469 L470 Q471 K476 K477 | L469-N473 WeakPolarHBondContact O-CB 3.34Å; L469-N473 VanDerWaalsContact O-CG 3.27Å; L469-N473 PolarHBondContact O-N 3.15Å; L469-N473 PolarHBondContact O-ND2 3.25Å; L470-N473 PolarHBondContact O-N 3.35Å; Q471-N473 PolarHBondContact O-N 3.36Å; N473-K476 PolarHBondContact O-N 3.05Å; N473-K477 PolarHBondContact O-N 3.4Å |
| 474 | L | 93.2 | Very high | 90.9 | Very high | 123 Ų | 123 | 105.8 Ų | 105.8 | 64% | 0.644 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.4 | -44.3 | 173.3 | -177.2 | 62.3 | 0 | 0 | 0 | 111.6 | L470 Q471 K477 M478 | L470-L474 WeakPolarHBondContact O-CB 3.46Å; L470-L474 PolarHBondContact O-N 3.37Å; Q471-L474 PolarHBondContact O-N 3.22Å; L474-K477 PolarHBondContact O-N 3.49Å; L474-M478 WeakPolarHBondContact O-CB 2.94Å; L474-M478 PolarHBondContact O-N 3.31Å |
| 475 | F | 93 | Very high | 90 | Very high | 117 Ų | 117 | 103.8 Ų | 103.8 | 51% | 0.513 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.1 | -42.2 | 176.1 | -176.3 | -100.6 | 0 | 0 | 0 | 112.3 | Q471 M478 K479 | Q471-F475 WeakPolarHBondContact O-CB 3.11Å; Q471-F475 PolarHBondContact O-N 3.05Å; F475-M478 HydrophobicContact CD2-CE 3.92Å; F475-M478 HydrophobicContact CE2-CE 4.11Å; F475-M478 PolarHBondContact O-N 3.09Å; F475-K479 WeakPolarHBondContact O-CB 3.25Å; F475-K479 PolarHBondContact O-N 3.1Å |
| 476 | K | 93.2 | Very high | 88.9 | Confident | 135 Ų | 135 | 103.2 Ų | 103.2 | 59% | 0.587 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -59.7 | -45.1 | 172.4 | -76.1 | 171.5 | -178 | 177.4 | 0 | 111.9 | M472 N473 K479 A480 | M472-K476 WeakPolarHBondContact O-CB 3.34Å; M472-K476 VanDerWaalsContact O-CG 3.27Å; M472-K476 WeakPolarHBondContact O-CG 3.43Å; M472-K476 PolarHBondContact O-N 3.36Å; N473-K476 PolarHBondContact O-N 3.05Å; K476-K479 PolarHBondContact O-N 3.32Å; K476-A480 WeakPolarHBondContact O-CB 3.14Å; K476-A480 PolarHBondContact O-N 2.71Å |
| 477 | K | 91.7 | Very high | 87.6 | Confident | 137 Ų | 137 | 106.5 Ų | 106.5 | 60% | 0.596 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -61 | -50.4 | 176.6 | -173.3 | -175.3 | 173.5 | -172.2 | 0 | 111.1 | N473 L474 K479 A480 E481 | N473-K477 PolarHBondContact O-N 3.4Å; L474-K477 PolarHBondContact O-N 3.49Å; K477-K479 VanDerWaalsContact C-N 3.3Å; K477-K479 PolarHBondContact O-N 2.8Å; K477-A480 WeakPolarHBondContact O-CB 3.37Å; K477-A480 PolarHBondContact O-N 3.48Å; K477-A480 VanDerWaalsContact O-N 3.12Å; K477-E481 WeakPolarHBondContact O-CB 3.35Å; K477-E481 PolarHBondContact O-N 2.81Å |
| 478 | M | 88.9 | Confident | 85.9 | Confident | 99 Ų | 99 | 107.5 Ų | 107.5 | 49% | 0.488 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -59 | -39.4 | 178.8 | -173.9 | -176.4 | 72.4 | 0 | 0 | 112.3 | L474 F475 E481 Q482 | L474-M478 WeakPolarHBondContact O-CB 2.94Å; L474-M478 PolarHBondContact O-N 3.31Å; F475-M478 HydrophobicContact CD2-CE 3.92Å; F475-M478 HydrophobicContact CE2-CE 4.11Å; F475-M478 PolarHBondContact O-N 3.09Å; M478-E481 PolarHBondContact O-N 3.23Å; M478-Q482 PolarHBondContact O-N 3.18Å |
| 479 | K | 89.4 | Confident | 83.7 | Confident | 122 Ų | 122 | 105 Ų | 105 | 53% | 0.53 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -67.6 | -41.8 | 174.8 | -173.3 | 175.4 | -179.8 | 179.7 | 0 | 112.1 | F475 K476 K477 E481 Q482 I483 | F475-K479 WeakPolarHBondContact O-CB 3.25Å; F475-K479 PolarHBondContact O-N 3.1Å; K476-K479 PolarHBondContact O-N 3.32Å; K477-K479 VanDerWaalsContact C-N 3.3Å; K477-K479 PolarHBondContact O-N 2.8Å; K479-E481 VanDerWaalsContact C-N 3.31Å; K479-E481 PolarHBondContact O-N 3.27Å; K479-Q482 PolarHBondContact O-N 3.46Å; K479-I483 HydrophobicContact CG-CD1 4.14Å; K479-I483 WeakPolarHBondContact O-CD1 3.28Å; K479-I483 VanDerWaalsContact O-CG1 3.29Å; K479-I483 WeakPolarHBondContact O-CG1 3.37Å; K479-I483 PolarHBondContact O-N 2.9Å |
| 480 | A | 87 | Confident | 81.8 | Confident | 52 Ų | 52 | 107.2 Ų | 107.2 | 43% | 0.43 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -62.6 | -39.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | K476 K477 I483 S484 | K476-A480 WeakPolarHBondContact O-CB 3.14Å; K476-A480 PolarHBondContact O-N 2.71Å; K477-A480 WeakPolarHBondContact O-CB 3.37Å; K477-A480 PolarHBondContact O-N 3.48Å; K477-A480 VanDerWaalsContact O-N 3.12Å; A480-I483 PolarHBondContact O-N 3.07Å; A480-S484 WeakPolarHBondContact O-CB 3.44Å; A480-S484 PolarHBondContact O-N 2.94Å; A480-S484 PolarHBondContact O-OG 3.44Å; A480-S484 VanDerWaalsContact O-OG 3.07Å |
| 481 | E | 83.9 | Confident | 79.5 | Confident | 118 Ų | 118 | 106.9 Ų | 106.9 | 55% | 0.551 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -69.4 | -37.6 | 178.9 | -163.5 | 168.9 | 156.7 | 0 | 0 | 112.6 | K477 M478 K479 S484 S485 | K477-E481 WeakPolarHBondContact O-CB 3.35Å; K477-E481 PolarHBondContact O-N 2.81Å; M478-E481 PolarHBondContact O-N 3.23Å; K479-E481 VanDerWaalsContact C-N 3.31Å; K479-E481 PolarHBondContact O-N 3.27Å; E481-S484 PolarHBondContact O-N 2.86Å; E481-S485 WeakPolarHBondContact O-CB 3.36Å; E481-S485 PolarHBondContact O-N 3.22Å; E481-S485 PolarHBondContact O-OG 2.93Å |
| 482 | Q | 82.8 | Confident | 77.4 | Confident | 119 Ų | 119 | 108.9 Ų | 108.9 | 56% | 0.556 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -61.6 | -43.3 | 167.9 | -79.1 | -171.3 | -2.1 | 0 | 0 | 112.2 | M478 K479 S485 L486 | M478-Q482 PolarHBondContact O-N 3.18Å; K479-Q482 PolarHBondContact O-N 3.46Å; Q482-S485 WeakPolarHBondContact CA-OG 3.4Å; Q482-S485 PolarHBondContact O-N 2.7Å; Q482-S485 PolarHBondContact O-OG 2.72Å; Q482-L486 WeakPolarHBondContact O-CG 3.33Å; Q482-L486 PolarHBondContact O-N 2.8Å; Q482-L486 VanDerWaalsContact O-N 3.13Å |
| 483 | I | 78.3 | Confident | 75.2 | Confident | 81 Ų | 81 | 114.3 Ų | 114.3 | 42% | 0.415 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -64.7 | -45.4 | 176.9 | -68 | 165.1 | 0 | 0 | 0 | 110.2 | K479 A480 S485 L486 F487 | K479-I483 HydrophobicContact CG-CD1 4.14Å; K479-I483 WeakPolarHBondContact O-CD1 3.28Å; K479-I483 VanDerWaalsContact O-CG1 3.29Å; K479-I483 WeakPolarHBondContact O-CG1 3.37Å; K479-I483 PolarHBondContact O-N 2.9Å; A480-I483 PolarHBondContact O-N 3.07Å; I483-S485 PolarHBondContact O-N 2.76Å; I483-L486 PolarHBondContact O-N 2.76Å; I483-F487 HydrophobicContact CG2-CD2 3.88Å; I483-F487 HydrophobicContact CG2-CE2 3.94Å; I483-F487 VanDerWaalsContact O-CD2 3.28Å; I483-F487 WeakPolarHBondContact O-CD2 3.43Å; I483-F487 PolarHBondContact O-N 2.64Å; I483-F487 VanDerWaalsContact O-N 3.15Å |
| 484 | S | 78.1 | Confident | 73.1 | Confident | 67 Ų | 67 | 117.7 Ų | 117.7 | 47% | 0.469 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -62.3 | -37.8 | 177.8 | -65.9 | 0 | 0 | 0 | 0 | 112.8 | A480 E481 F487 S488 | A480-S484 WeakPolarHBondContact O-CB 3.44Å; A480-S484 PolarHBondContact O-N 2.94Å; A480-S484 PolarHBondContact O-OG 3.44Å; A480-S484 VanDerWaalsContact O-OG 3.07Å; E481-S484 PolarHBondContact O-N 2.86Å; S484-F487 PolarHBondContact O-N 3.13Å; S484-S488 WeakPolarHBondContact O-CB 3.22Å; S484-S488 PolarHBondContact O-N 3.43Å; S484-S488 PolarHBondContact O-OG 3.29Å |
| 485 | S | 77.4 | Confident | 70.8 | Confident | 71 Ų | 71 | 118.6 Ų | 118.6 | 50% | 0.497 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -72.8 | -33 | 177.7 | 50.3 | 0 | 0 | 0 | 0 | 113.1 | E481 Q482 I483 F487 S488 | E481-S485 WeakPolarHBondContact O-CB 3.36Å; E481-S485 PolarHBondContact O-N 3.22Å; E481-S485 PolarHBondContact O-OG 2.93Å; Q482-S485 WeakPolarHBondContact CA-OG 3.4Å; Q482-S485 PolarHBondContact O-N 2.7Å; Q482-S485 PolarHBondContact O-OG 2.72Å; I483-S485 PolarHBondContact O-N 2.76Å; S485-F487 VanDerWaalsContact C-N 3.34Å; S485-S488 PolarHBondContact O-N 3.33Å |
| 486 | L | 72.6 | Confident | 68.5 | Low | 133 Ų | 133 | 119.1 Ų | 119.1 | 70% | 0.696 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -62.6 | -39 | 170.5 | -71.7 | 167.8 | 0 | 0 | 0 | 112.3 | Q482 I483 | Q482-L486 WeakPolarHBondContact O-CG 3.33Å; Q482-L486 PolarHBondContact O-N 2.8Å; Q482-L486 VanDerWaalsContact O-N 3.13Å; I483-L486 PolarHBondContact O-N 2.76Å |
| 487 | F | 67.5 | Low | 66.5 | Low | 175 Ų | 175 | 117.6 Ų | 117.6 | 77% | 0.768 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -88.3 | -17.1 | 178 | -71.6 | -66.7 | 0 | 0 | 0 | 114.9 | I483 S484 S485 S489 | I483-F487 HydrophobicContact CG2-CD2 3.88Å; I483-F487 HydrophobicContact CG2-CE2 3.94Å; I483-F487 VanDerWaalsContact O-CD2 3.28Å; I483-F487 WeakPolarHBondContact O-CD2 3.43Å; I483-F487 PolarHBondContact O-N 2.64Å; I483-F487 VanDerWaalsContact O-N 3.15Å; S484-F487 PolarHBondContact O-N 3.13Å; S485-F487 VanDerWaalsContact C-N 3.34Å; F487-S489 VanDerWaalsContact C-N 3.3Å |
| 488 | S | 58.4 | Low | 64.1 | Low | 93 Ų | 93 | 115.6 Ų | 115.6 | 65% | 0.65 | 65% | 0.649 | S | S | * | * | trans | -88.2 | 7.4 | 177.1 | -54.9 | 0 | 0 | 0 | 0 | 113.6 | S484 S485 | S484-S488 WeakPolarHBondContact O-CB 3.22Å; S484-S488 PolarHBondContact O-N 3.43Å; S484-S488 PolarHBondContact O-OG 3.29Å; S485-S488 PolarHBondContact O-N 3.33Å | ||
| 489 | S | 49.2 | Very low | 62 | Low | 83 Ų | 83 | 117.8 Ų | 117.8 | 58% | 0.58 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -66.3 | 123.6 | 170.4 | -69 | 0 | 0 | 0 | 0 | 109.2 | F487 S491 | F487-S489 VanDerWaalsContact C-N 3.3Å; S489-S491 PolarHBondContact O-N 3.38Å |
| 490 | P | 55.2 | Low | 60.1 | Low | 125 Ų | 125 | 117.9 Ų | 117.9 | 81% | 0.812 | 68% | 0.679 | S | S | * | * | trans | -66.5 | 109 | -175.5 | 26.1 | -33.6 | 0 | 0 | 0 | 110 | L492 | P490-L492 PolarHBondContact O-N 2.99Š| ||
| 491 | S | 49.4 | Very low | 58.3 | Low | 115 Ų | 115 | 120.9 Ų | 120.9 | 80% | 0.804 | 69% | 0.694 | S | S | * | * | trans | -58.4 | 134.6 | 175.1 | -168.4 | 0 | 0 | 0 | 0 | 109.7 | S489 M493 | S489-S491 PolarHBondContact O-N 3.38Å; S491-M493 PolarHBondContact O-N 3.17Å; S491-M493 VanDerWaalsContact O-N 3.12Å | ||
| 492 | L | 48.7 | Very low | 56.4 | Low | 157 Ų | 157 | 122.8 Ų | 122.8 | 82% | 0.822 | 71% | 0.707 | S | S | * | * | trans | -55.6 | 117.3 | -171 | -66.7 | 164.9 | 0 | 0 | 0 | 110.6 | P490 M494 | P490-L492 PolarHBondContact O-N 2.99Å; L492-M494 PolarHBondContact O-N 3.25Å | ||
| 493 | M | 47.8 | Very low | 54.6 | Low | 184 Ų | 184 | 123.2 Ų | 123.2 | 91% | 0.906 | 72% | 0.718 | S | S | * | * | trans | -63.9 | 102.2 | 168.8 | -77.2 | -174.6 | 68.1 | 0 | 0 | 108.7 | S491 N495 | S491-M493 PolarHBondContact O-N 3.17Å; S491-M493 VanDerWaalsContact O-N 3.12Å; M493-N495 PolarHBondContact O-N 3.44Å | ||
| 494 | M | 50.5 | Low | 52.8 | Low | 166 Ų | 166 | 125.3 Ų | 125.3 | 82% | 0.818 | 74% | 0.735 | S | S | * | * | trans | -55.3 | 102.1 | 171.1 | -75.5 | -78.7 | -153.4 | 0 | 0 | 109.2 | L492 T496 | L492-M494 PolarHBondContact O-N 3.25Å; M494-T496 HydrophobicContact CB-CG2 4.17Å; M494-T496 PolarHBondContact O-N 2.99Å | ||
| 495 | N | 43 | Very low | 51.3 | Low | 141 Ų | 141 | 128 Ų | 128 | 75% | 0.754 | 75% | 0.749 | S | S | * | * | trans | -78.3 | 72.9 | 178.3 | -171.1 | 19.8 | 0 | 0 | 0 | 110.3 | M493 T497 | M493-N495 PolarHBondContact O-N 3.44Å; N495-T497 PolarHBondContact O-N 3.08Å; N495-T497 PolarHBondContact OD1-OG1 3.48Å | ||
| 496 | T | 46.3 | Very low | 49.6 | Very low | 129 Ų | 129 | 130.4 Ų | 130.4 | 79% | 0.791 | 76% | 0.76 | S | S | * | * | trans | -75.5 | 64 | -178.8 | 54.4 | 0 | 0 | 0 | 0 | 111.9 | M494 | M494-T496 HydrophobicContact CB-CG2 4.17Å; M494-T496 PolarHBondContact O-N 2.99Å | ||
| 497 | T | 49.9 | Very low | 48.2 | Very low | 103 Ų | 103 | 129.6 Ų | 129.6 | 63% | 0.632 | 76% | 0.761 | S | S | * | * | trans | -100 | 100.8 | 176.9 | -59.9 | 0 | 0 | 0 | 0 | 110.2 | N495 | N495-T497 PolarHBondContact O-N 3.08Å; N495-T497 PolarHBondContact OD1-OG1 3.48Å | ||
| 498 | S | 42.8 | Very low | 47.2 | Very low | 95 Ų | 95 | 127.7 Ų | 127.7 | 66% | 0.664 | 76% | 0.764 | S | S | * | * | trans | 26.1 | 112.9 | 159.8 | 59.2 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 499 | V | 43.9 | Very low | 46.7 | Very low | 144 Ų | 144 | 128.6 Ų | 128.6 | 87% | 0.873 | 77% | 0.767 | S | S | * | * | trans | -50.2 | 130.9 | 163.7 | -78.5 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 500 | T | 50.7 | Low | 46.7 | Very low | 125 Ų | 125 | 131.4 Ų | 131.4 | 77% | 0.767 | 78% | 0.781 | S | S | * | * | trans | -140.4 | 101.5 | 161.2 | -52 | 0 | 0 | 0 | 0 | 109.1 | L502 | T500-L502 PolarHBondContact O-N 3.24Š| ||
| 501 | P | 47.7 | Very low | 46.4 | Very low | 114 Ų | 114 | 130.7 Ų | 130.7 | 74% | 0.74 | 78% | 0.777 | S | S | * | * | trans | -80.9 | 114.8 | -178.8 | 30.6 | -32.3 | 0 | 0 | 0 | 111.4 | ||||
| 502 | L | 44.5 | Very low | 46.1 | Very low | 159 Ų | 159 | 131 Ų | 131 | 83% | 0.832 | 77% | 0.774 | S | S | * | * | trans | -98.5 | 93.5 | 175 | -171.6 | 71.3 | 0 | 0 | 0 | 110.6 | T500 | T500-L502 PolarHBondContact O-N 3.24Š| ||
| 503 | T | 44.8 | Very low | 45.9 | Very low | 127 Ų | 127 | 129.6 Ų | 129.6 | 78% | 0.779 | 77% | 0.772 | S | S | * | * | trans | -96.3 | 115.4 | 173.4 | 45.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 504 | T | 40.8 | Very low | 45.9 | Very low | 126 Ų | 126 | 125.3 Ų | 125.3 | 77% | 0.773 | 77% | 0.766 | S | S | * | * | trans | -109.9 | 100.9 | -179.7 | -11.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 505 | T | 45.7 | Very low | 45.8 | Very low | 124 Ų | 124 | 123.1 Ų | 123.1 | 76% | 0.761 | 76% | 0.764 | S | S | * | * | trans | -146.5 | 107.5 | 175.5 | -2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 506 | T | 42.8 | Very low | 45.8 | Very low | 120 Ų | 120 | 122 Ų | 122 | 74% | 0.736 | 77% | 0.767 | S | S | * | * | trans | 49.8 | 83.4 | 140.3 | -41.5 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 507 | T | 43.6 | Very low | 45.9 | Very low | 117 Ų | 117 | 123.7 Ų | 123.7 | 72% | 0.718 | 77% | 0.768 | S | S | * | * | 35.4 | 145.1 | 128.3 | 54.2 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 508 | T | 46 | Very low | 45.7 | Very low | 135 Ų | 135 | 123.2 Ų | 123.2 | 83% | 0.828 | 77% | 0.769 | S | S | * | * | trans | 82.9 | 146.2 | 151.3 | 41.8 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 509 | P | 48.3 | Very low | 45.8 | Very low | 111 Ų | 111 | 124.2 Ų | 124.2 | 72% | 0.721 | 77% | 0.771 | S | S | * | * | trans | -139.4 | 170.3 | -135.1 | 42.6 | -24.9 | 0 | 0 | 0 | 117.2 | ||||
| 510 | T | 47.8 | Very low | 45.8 | Very low | 142 Ų | 142 | 122.9 Ų | 122.9 | 87% | 0.871 | 77% | 0.768 | S | S | * | * | trans | -170.6 | 161.2 | 130.9 | 15.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 511 | P | 48.5 | Very low | 45.5 | Very low | 111 Ų | 111 | 122.3 Ų | 122.3 | 72% | 0.721 | 77% | 0.769 | S | S | * | * | trans | -104.7 | -179.3 | -159.4 | 41 | -37.9 | 0 | 0 | 0 | 114.8 | ||||
| 512 | T | 45 | Very low | 45.1 | Very low | 122 Ų | 122 | 123.6 Ų | 123.6 | 75% | 0.748 | 78% | 0.775 | S | S | * | * | 175.2 | 123.4 | 121.1 | -73.7 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 513 | T | 44.6 | Very low | 45 | Very low | 127 Ų | 127 | 120.5 Ų | 120.5 | 78% | 0.779 | 77% | 0.772 | S | S | * | * | trans | 70.4 | 94.8 | 149.7 | -57.8 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 514 | A | 46.8 | Very low | 44.9 | Very low | 93 Ų | 93 | 120 Ų | 120 | 77% | 0.769 | 77% | 0.769 | S | S | * | * | 89.4 | 153.5 | 116.7 | 0 | 0 | 0 | 0 | 0 | 124.2 | |||||
| 515 | P | 48.5 | Very low | 44.8 | Very low | 121 Ų | 121 | 119.7 Ų | 119.7 | 79% | 0.786 | 77% | 0.767 | S | S | * | * | trans | -134.2 | 175.1 | -165.4 | 43.7 | -25.7 | 0 | 0 | 0 | 117 | ||||
| 516 | S | 42.9 | Very low | 44.6 | Very low | 116 Ų | 116 | 120 Ų | 120 | 81% | 0.811 | 77% | 0.769 | S | S | * | * | trans | 170.8 | 164.6 | 149.5 | 37.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 517 | M | 48.5 | Very low | 44.4 | Very low | 165 Ų | 165 | 120.1 Ų | 120.1 | 81% | 0.813 | 77% | 0.769 | S | S | * | * | cis | -166.3 | 166.2 | -36.2 | -103 | -160.3 | 74.8 | 0 | 0 | 109 | ||||
| 518 | S | 44.4 | Very low | 44.5 | Very low | 93 Ų | 93 | 120.8 Ų | 120.8 | 65% | 0.65 | 77% | 0.773 | S | S | * | * | trans | 73.3 | 156.2 | 155.6 | -60.4 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 519 | T | 47 | Very low | 44.3 | Very low | 117 Ų | 117 | 121.9 Ų | 121.9 | 72% | 0.718 | 77% | 0.774 | S | S | * | * | -179.3 | 156.2 | -50.7 | 30.9 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 520 | S | 43.1 | Very low | 44.7 | Very low | 115 Ų | 115 | 122.1 Ų | 122.1 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | 68.9 | 158.7 | 156.3 | -77.7 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 521 | S | 43.6 | Very low | 44.4 | Very low | 114 Ų | 114 | 122 Ų | 122 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | cis | -167.1 | 174.6 | -23 | 51.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 522 | V | 40.7 | Very low | 44.1 | Very low | 141 Ų | 141 | 121.7 Ų | 121.7 | 86% | 0.855 | 78% | 0.775 | S | S | * | * | trans | -86.9 | 147.4 | -169 | 172.8 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 523 | A | 41.4 | Very low | 44 | Very low | 93 Ų | 93 | 121.6 Ų | 121.6 | 77% | 0.769 | 78% | 0.779 | S | S | * | * | trans | -169.3 | 176.6 | 147 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 524 | T | 41.9 | Very low | 44.1 | Very low | 118 Ų | 118 | 123.5 Ų | 123.5 | 72% | 0.724 | 78% | 0.782 | S | S | * | * | -148.9 | 140.1 | -86.7 | -44.8 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 525 | T | 39.3 | Very low | 43.9 | Very low | 119 Ų | 119 | 125.9 Ų | 125.9 | 73% | 0.73 | 78% | 0.781 | S | S | * | * | trans | 26 | 131.1 | 158.1 | 57.2 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 526 | T | 41.7 | Very low | 43.7 | Very low | 131 Ų | 131 | 125.2 Ų | 125.2 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | 165.4 | 129.3 | 113.9 | 42.8 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 527 | T | 39.7 | Very low | 43.6 | Very low | 121 Ų | 121 | 126 Ų | 126 | 74% | 0.742 | 78% | 0.78 | S | S | * | * | 83.4 | 107.3 | 66.1 | -48.2 | 0 | 0 | 0 | 0 | 115 | |||||
| 528 | T | 44.5 | Very low | 43 | Very low | 131 Ų | 131 | 123.2 Ų | 123.2 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | trans | 168.1 | 112.3 | 135.4 | 40.1 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 529 | D | 42.5 | Very low | 42.5 | Very low | 158 Ų | 158 | 124.9 Ų | 124.9 | 85% | 0.845 | 78% | 0.782 | S | S | * | * | 53.5 | 158.2 | 127.4 | -69.8 | 12 | 0 | 0 | 0 | 126.3 | |||||
| 530 | P | 55.6 | Low | 42 | Very low | 116 Ų | 116 | 125.6 Ų | 125.6 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | trans | -132.1 | 174.4 | -149.1 | 44.2 | -28.6 | 0 | 0 | 0 | 118 | ||||
| 531 | V | 42 | Very low | 41.7 | Very low | 141 Ų | 141 | 125.9 Ų | 125.9 | 86% | 0.855 | 79% | 0.788 | S | S | * | * | trans | -151.8 | 128.8 | 164.6 | -120.6 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 532 | S | 41.8 | Very low | 41.6 | Very low | 103 Ų | 103 | 128.3 Ų | 128.3 | 72% | 0.72 | 79% | 0.79 | S | S | * | * | trans | 42.9 | 119.6 | 141.5 | 64.2 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 533 | S | 44.2 | Very low | 41.4 | Very low | 120 Ų | 120 | 126.5 Ų | 126.5 | 84% | 0.839 | 78% | 0.784 | S | S | * | * | 177.8 | 126.1 | 120.9 | 36.8 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 534 | M | 45.8 | Very low | 41.1 | Very low | 168 Ų | 168 | 127 Ų | 127 | 83% | 0.828 | 78% | 0.782 | S | S | * | * | cis | 92.3 | 122.5 | 43.5 | -80.7 | -164.5 | 69.4 | 0 | 0 | 115.7 | ||||
| 535 | N | 43.5 | Very low | 40.9 | Very low | 142 Ų | 142 | 128.8 Ų | 128.8 | 76% | 0.759 | 79% | 0.787 | S | S | * | * | trans | 103.5 | 95.7 | 173 | -57.3 | -17.7 | 0 | 0 | 0 | 114.7 | ||||
| 536 | S | 42.9 | Very low | 40.9 | Very low | 108 Ų | 108 | 129.1 Ų | 129.1 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | 86.2 | 108.6 | 55.3 | -64.8 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 537 | T | 40.9 | Very low | 40.9 | Very low | 133 Ų | 133 | 129.3 Ų | 129.3 | 82% | 0.816 | 79% | 0.79 | S | S | * | * | 177 | 132.3 | 113.1 | -68.6 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 538 | C | 35.9 | Very low | 40.7 | Very low | 106 Ų | 106 | 129.4 Ų | 129.4 | 72% | 0.716 | 79% | 0.791 | S | S | * | * | trans | -12.4 | 122.2 | 166.3 | -57.7 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 539 | T | 34.5 | Very low | 40.4 | Very low | 127 Ų | 127 | 129 Ų | 129 | 78% | 0.779 | 79% | 0.788 | S | S | * | * | 71.1 | 114.4 | 63.3 | 66.2 | 0 | 0 | 0 | 0 | 117 | |||||
| 540 | T | 36.9 | Very low | 40.6 | Very low | 132 Ų | 132 | 127.6 Ų | 127.6 | 81% | 0.81 | 79% | 0.785 | S | S | * | * | -164.1 | 119.8 | 127.1 | -71.8 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 541 | S | 35.9 | Very low | 39.7 | Very low | 122 Ų | 122 | 128.8 Ų | 128.8 | 85% | 0.853 | 79% | 0.785 | S | S | * | * | trans | -147.3 | 127.8 | 168 | 39.7 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 542 | I | 42.7 | Very low | 39.5 | Very low | 164 Ų | 164 | 131.6 Ų | 131.6 | 84% | 0.841 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -98.7 | 138.4 | -174.9 | -63.3 | 178.6 | 0 | 0 | 0 | 109.3 | ||
| 543 | S | 35.1 | Very low | 39.2 | Very low | 103 Ų | 103 | 132.8 Ų | 132.8 | 72% | 0.72 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 143.2 | -166.4 | -163.3 | 0 | 0 | 0 | 0 | 114.1 | ||
| 544 | S | 36.9 | Very low | 39.1 | Very low | 103 Ų | 103 | 133.5 Ų | 133.5 | 72% | 0.72 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 132.3 | 158.2 | -59.9 | 0 | 0 | 0 | 0 | 109.7 | ||
| 545 | N | 36.7 | Very low | 38.7 | Very low | 156 Ų | 156 | 130.1 Ų | 130.1 | 83% | 0.834 | 78% | 0.784 | S | S | * | * | trans | -103.5 | 114.2 | 163 | -82 | 1 | 0 | 0 | 0 | 108.6 | ||||
| 546 | T | 39.1 | Very low | 38.3 | Very low | 127 Ų | 127 | 131.1 Ų | 131.1 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | trans | -117.9 | 110 | 178.3 | -45.5 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 547 | T | 41.4 | Very low | 38 | Very low | 134 Ų | 134 | 131.9 Ų | 131.9 | 82% | 0.822 | 80% | 0.795 | S | S | * | * | trans | -76.4 | 128.5 | -177.8 | -46.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 548 | T | 35.5 | Very low | 37.6 | Very low | 123 Ų | 123 | 130.2 Ų | 130.2 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | trans | -61.3 | 139 | 179 | -47.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 549 | V | 39.9 | Very low | 37.8 | Very low | 122 Ų | 122 | 132.6 Ų | 132.6 | 74% | 0.739 | 79% | 0.793 | S | S | * | * | trans | -113.4 | 124.2 | 161.8 | 177.7 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 550 | T | 44.9 | Very low | 38 | Very low | 129 Ų | 129 | 133 Ų | 133 | 79% | 0.791 | 79% | 0.789 | S | S | * | * | trans | -83.6 | 128.9 | 172.6 | 42.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 551 | N | 37.4 | Very low | 38.2 | Very low | 141 Ų | 141 | 132.4 Ų | 132.4 | 75% | 0.754 | 79% | 0.787 | S | S | * | * | trans | -87.1 | 136.5 | 174.5 | -64.9 | -29.6 | 0 | 0 | 0 | 110.7 | ||||
| 552 | E | 37.9 | Very low | 38.6 | Very low | 200 Ų | 200 | 135.2 Ų | 135.2 | 94% | 0.935 | 78% | 0.784 | S | S | * | * | trans | -118 | 146.6 | 151.9 | -71.4 | -159 | 146.5 | 0 | 0 | 109.7 | ||||
| 553 | T | 36.3 | Very low | 38.2 | Very low | 128 Ų | 128 | 136.6 Ų | 136.6 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | trans | -117.4 | 124.1 | -165.4 | -62.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 554 | T | 40.4 | Very low | 38.3 | Very low | 135 Ų | 135 | 139.5 Ų | 139.5 | 83% | 0.828 | 79% | 0.791 | S | S | * | * | trans | -150.7 | 110.1 | 161.2 | -70.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 555 | S | 38.2 | Very low | 38.1 | Very low | 97 Ų | 97 | 140.5 Ų | 140.5 | 68% | 0.678 | 79% | 0.793 | S | S | * | * | trans | 45.1 | 102.8 | 140.9 | -53.1 | 0 | 0 | 0 | 0 | 122 | ||||
| 556 | N | 35.9 | Very low | 38.5 | Very low | 164 Ų | 164 | 138.9 Ų | 138.9 | 88% | 0.877 | 79% | 0.793 | S | S | * | * | 38.3 | 115.5 | 121.4 | -59.6 | -11.3 | 0 | 0 | 0 | 120.7 | |||||
| 557 | S | 35.6 | Very low | 38.3 | Very low | 124 Ų | 124 | 140.4 Ų | 140.4 | 87% | 0.867 | 80% | 0.797 | S | S | * | * | -152.8 | 151 | 118.1 | -166.2 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 558 | S | 32.4 | Very low | 38.1 | Very low | 97 Ų | 97 | 139.1 Ų | 139.1 | 68% | 0.678 | 79% | 0.793 | S | S | * | * | trans | -131 | 123.5 | -171.4 | 172.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 559 | I | 40.6 | Very low | 38.3 | Very low | 157 Ų | 157 | 141.6 Ų | 141.6 | 81% | 0.805 | 80% | 0.8 | S | S | * | * | trans | -135.3 | 119.5 | 170.6 | -59.3 | -177.9 | 0 | 0 | 0 | 109.2 | ||||
| 560 | I | 38.9 | Very low | 38 | Very low | 135 Ų | 135 | 140.1 Ų | 140.1 | 69% | 0.692 | 80% | 0.795 | S | S | * | * | trans | -115.6 | 117.7 | 177 | -61 | 170.7 | 0 | 0 | 0 | 109.1 | ||||
| 561 | P | 41.4 | Very low | 37.7 | Very low | 119 Ų | 119 | 142.1 Ų | 142.1 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 131.1 | 162.6 | -14.7 | 31 | 0 | 0 | 0 | 110.4 | ||
| 562 | K | 43.5 | Very low | 37.5 | Very low | 182 Ų | 182 | 142 Ų | 142 | 79% | 0.791 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -86.5 | 140 | -173.9 | -65.8 | 174.9 | -178.3 | 173.6 | 0 | 112.3 | L564 | K562-L564 PolarHBondContact O-N 2.85Š|
| 563 | K | 33.7 | Very low | 37.6 | Very low | 193 Ų | 193 | 141.2 Ų | 141.2 | 84% | 0.839 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 119.2 | 162.7 | -175.4 | 178.8 | -176.6 | 178.5 | 0 | 109 | ||
| 564 | L | 37.5 | Very low | 37.4 | Very low | 164 Ų | 164 | 144.8 Ų | 144.8 | 86% | 0.859 | 79% | 0.792 | S | S | * | * | trans | -104.4 | 120.2 | 174.5 | -90.1 | 165.8 | 0 | 0 | 0 | 110.5 | K562 | K562-L564 PolarHBondContact O-N 2.85Š| ||
| 565 | T | 33.3 | Very low | 37.2 | Very low | 124 Ų | 124 | 143.7 Ų | 143.7 | 76% | 0.761 | 79% | 0.79 | S | S | * | * | trans | -118.5 | 121.9 | 165.9 | 44.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 566 | S | 45.5 | Very low | 37.2 | Very low | 121 Ų | 121 | 148.1 Ų | 148.1 | 85% | 0.846 | 80% | 0.797 | S | S | * | * | trans | -123.1 | 137.3 | 166.8 | 47.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 567 | N | 34 | Very low | 37 | Very low | 159 Ų | 159 | 147.5 Ų | 147.5 | 85% | 0.85 | 79% | 0.788 | S | S | * | * | trans | -121.4 | 158.8 | 176 | -124.4 | 0.9 | 0 | 0 | 0 | 107.9 | ||||
| 568 | S | 36.7 | Very low | 37.3 | Very low | 108 Ų | 108 | 151.1 Ų | 151.1 | 76% | 0.755 | 79% | 0.792 | S | S | * | * | trans | 66.3 | 113.6 | 171.1 | -53.2 | 0 | 0 | 0 | 0 | 117 | ||||
| 569 | I | 41 | Very low | 37.4 | Very low | 174 Ų | 174 | 155.7 Ų | 155.7 | 89% | 0.892 | 80% | 0.803 | S | S | * | * | -157.2 | 136.8 | 103 | -94.4 | 153.1 | 0 | 0 | 0 | 108.1 | |||||
| 570 | S | 33.7 | Very low | 37.2 | Very low | 91 Ų | 91 | 152.1 Ų | 152.1 | 64% | 0.636 | 80% | 0.804 | S | S | * | * | trans | -103.2 | 136 | 174.7 | 51.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 571 | H | 37.7 | Very low | 36.8 | Very low | 172 Ų | 172 | 149.3 Ų | 149.3 | 80% | 0.796 | 81% | 0.809 | S | S | * | * | 170.9 | 152.7 | 124.5 | -95.4 | -69.3 | 0 | 0 | 0 | 114.2 | |||||
| 572 | L | 33.8 | Very low | 36.9 | Very low | 138 Ų | 138 | 153 Ų | 153 | 72% | 0.723 | 82% | 0.816 | S | S | * | * | trans | 76.6 | 118.9 | 150.9 | -111 | 64.9 | 0 | 0 | 0 | 122 | ||||
| 573 | K | 38.7 | Very low | 36.8 | Very low | 183 Ų | 183 | 153.4 Ų | 153.4 | 80% | 0.796 | 82% | 0.82 | S | S | * | * | trans | 38.2 | 110.3 | 139.3 | -66.1 | 176.6 | -179.6 | 177.1 | 0 | 117.9 | ||||
| 574 | K | 33.6 | Very low | 36.8 | Very low | 203 Ų | 203 | 153.5 Ų | 153.5 | 88% | 0.883 | 82% | 0.824 | S | S | * | * | 64.1 | 94.9 | 76.5 | -174.2 | -164.9 | 174.9 | 176 | 0 | 113.5 | |||||
| 575 | S | 36.3 | Very low | 36.8 | Very low | 112 Ų | 112 | 154.2 Ų | 154.2 | 78% | 0.783 | 82% | 0.823 | S | S | * | * | trans | -168 | 129.8 | 133.6 | 52.2 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 576 | K | 37.2 | Very low | 37 | Very low | 190 Ų | 190 | 156 Ų | 156 | 83% | 0.826 | 82% | 0.822 | S | S | * | * | trans | 76.3 | 143.4 | 142.3 | -136.6 | 173.7 | -176.5 | -164.5 | 0 | 121.8 | ||||
| 577 | E | 31.9 | Very low | 36.4 | Very low | 151 Ų | 151 | 159.8 Ų | 159.8 | 71% | 0.706 | 83% | 0.827 | S | S | * | * | trans | -62.8 | 158.1 | 173.7 | -49.3 | 103.9 | 147.9 | 0 | 0 | 113.7 | ||||
| 578 | E | 41.1 | Very low | 36.7 | Very low | 200 Ų | 200 | 158.4 Ų | 158.4 | 94% | 0.935 | 82% | 0.818 | S | S | * | * | trans | -144.7 | 147.7 | 138.4 | -141.8 | 157.1 | -131.2 | 0 | 0 | 109.5 | ||||
| 579 | E | 34.8 | Very low | 36.5 | Very low | 194 Ų | 194 | 162.4 Ų | 162.4 | 91% | 0.907 | 83% | 0.825 | S | S | * | * | trans | -99.2 | 162.5 | -173.4 | -66.6 | -176.1 | 106.1 | 0 | 0 | 112.4 | ||||
| 580 | G | 36.4 | Very low | 36.1 | Very low | 82 Ų | 82 | 158.1 Ų | 158.1 | 85% | 0.845 | 81% | 0.81 | S | S | * | * | trans | 158.2 | 109.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 581 | G | 31.7 | Very low | 36 | Very low | 76 Ų | 76 | 161.6 Ų | 161.6 | 78% | 0.784 | 82% | 0.816 | S | S | * | * | cis | 112.9 | 58.9 | -1.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 582 | E | 43.5 | Very low | 35.6 | Very low | 196 Ų | 196 | 159 Ų | 159 | 92% | 0.916 | 82% | 0.816 | S | S | * | * | trans | -130.2 | 156.3 | 166 | -72.2 | -170.2 | 170.1 | 0 | 0 | 110 | ||||
| 583 | E | 39.8 | Very low | 35.4 | Very low | 190 Ų | 190 | 159.2 Ų | 159.2 | 89% | 0.888 | 82% | 0.817 | S | S | * | * | trans | -112.4 | 177.7 | -143.4 | -59.6 | -170.1 | 110.3 | 0 | 0 | 115.4 | ||||
| 584 | E | 34.4 | Very low | 35.3 | Very low | 196 Ų | 196 | 157 Ų | 157 | 92% | 0.916 | 81% | 0.812 | S | S | * | * | trans | -71.6 | 122.3 | 166.3 | -60.9 | 176.4 | 127.8 | 0 | 0 | 108.5 | ||||
| 585 | Q | 37.8 | Very low | 35.4 | Very low | 179 Ų | 179 | 152 Ų | 152 | 84% | 0.836 | 80% | 0.802 | S | S | * | * | trans | -130.5 | 150.7 | 167.7 | -162.5 | 161.3 | 35.1 | 0 | 0 | 112.4 | ||||
| 586 | E | 37.3 | Very low | 35.1 | Very low | 161 Ų | 161 | 156.5 Ų | 156.5 | 75% | 0.752 | 81% | 0.808 | S | S | * | * | trans | -70.9 | 157.5 | -155.2 | -69.1 | 159.9 | 108.4 | 0 | 0 | 116.4 | I588 | E586-I588 PolarHBondContact O-N 3.13Š| ||
| 587 | E | 33.2 | Very low | 35 | Very low | 201 Ų | 201 | 154.8 Ų | 154.8 | 94% | 0.939 | 81% | 0.808 | S | S | * | * | trans | -51.3 | 90.4 | 157.1 | -178.1 | 165.7 | -130.3 | 0 | 0 | 111.9 | ||||
| 588 | I | 40.7 | Very low | 35 | Very low | 129 Ų | 129 | 152.6 Ų | 152.6 | 66% | 0.662 | 81% | 0.809 | S | S | * | * | trans | -106.8 | 101.4 | 166.7 | -57.1 | -178.2 | 0 | 0 | 0 | 109.5 | E586 S590 | E586-I588 PolarHBondContact O-N 3.13Å; I588-S590 PolarHBondContact O-N 2.95Å; I588-S590 VanDerWaalsContact O-N 3.12Å | ||
| 589 | E | 32.7 | Very low | 34.7 | Very low | 193 Ų | 193 | 151.2 Ų | 151.2 | 90% | 0.902 | 81% | 0.807 | S | S | * | * | trans | -69.5 | 99.1 | 164.3 | -178.8 | 173.4 | -147.8 | 0 | 0 | 109.1 | ||||
| 590 | S | 32.8 | Very low | 35 | Very low | 83 Ų | 83 | 147 Ų | 147 | 58% | 0.58 | 80% | 0.8 | S | S | * | * | trans | -150.3 | 111 | 172.4 | -84 | 0 | 0 | 0 | 0 | 114.7 | I588 | I588-S590 PolarHBondContact O-N 2.95Å; I588-S590 VanDerWaalsContact O-N 3.12Å | ||
| 591 | Q | 30.2 | Very low | 35.1 | Very low | 165 Ų | 165 | 148.7 Ų | 148.7 | 77% | 0.771 | 80% | 0.795 | S | S | * | * | trans | 51.1 | 104 | 139.3 | -54.9 | -174.8 | 38.2 | 0 | 0 | 117.8 | I593 | Q591-I593 PolarHBondContact O-N 2.93Š| ||
| 592 | C | 29.2 | Very low | 35.7 | Very low | 116 Ų | 116 | 151.5 Ų | 151.5 | 78% | 0.784 | 79% | 0.79 | S | S | * | * | trans | -66.5 | 95.6 | 159.6 | -172.4 | 0 | 0 | 0 | 0 | 109.7 | I594 | C592-I594 VanDerWaalsContact C-N 3.3Å; C592-I594 PolarHBondContact O-N 2.98Å | ||
| 593 | I | 30.8 | Very low | 36.1 | Very low | 144 Ų | 144 | 151 Ų | 151 | 74% | 0.738 | 79% | 0.785 | S | S | * | * | trans | -71.7 | 89.2 | 172.2 | -58.6 | 179.6 | 0 | 0 | 0 | 108.3 | Q591 S595 | Q591-I593 PolarHBondContact O-N 2.93Å; I593-S595 PolarHBondContact O-N 3.23Å | ||
| 594 | I | 35.9 | Very low | 36.7 | Very low | 137 Ų | 137 | 147.9 Ų | 147.9 | 70% | 0.703 | 78% | 0.781 | S | S | * | * | trans | -72.4 | 107.7 | 168.7 | -61.4 | 177.1 | 0 | 0 | 0 | 107.6 | C592 K596 | C592-I594 VanDerWaalsContact C-N 3.3Å; C592-I594 PolarHBondContact O-N 2.98Å; I594-K596 PolarHBondContact O-N 2.97Å | ||
| 595 | S | 35.3 | Very low | 36.9 | Very low | 97 Ų | 97 | 147.4 Ų | 147.4 | 68% | 0.678 | 78% | 0.779 | S | S | * | * | trans | -55.5 | 121.8 | 175 | -62.9 | 0 | 0 | 0 | 0 | 110.9 | I593 N597 | I593-S595 PolarHBondContact O-N 3.23Å; S595-N597 VanDerWaalsContact C-N 3.26Å; S595-N597 PolarHBondContact O-N 3.28Å | ||
| 596 | K | 31.4 | Very low | 37.2 | Very low | 206 Ų | 206 | 147.1 Ų | 147.1 | 90% | 0.896 | 78% | 0.783 | S | S | * | * | trans | -75.9 | 62.8 | -172.5 | -66.3 | -176.9 | 177.6 | 178.4 | 0 | 113.6 | I594 S598 | I594-K596 PolarHBondContact O-N 2.97Å; K596-S598 PolarHBondContact O-N 3.12Å; K596-S598 VanDerWaalsContact O-N 3.13Å | ||
| 597 | N | 35.2 | Very low | 37.3 | Very low | 155 Ų | 155 | 142.4 Ų | 142.4 | 83% | 0.829 | 78% | 0.777 | S | S | * | * | trans | -86.9 | 81.6 | 171 | -80.6 | 33.7 | 0 | 0 | 0 | 111.1 | S595 | S595-N597 VanDerWaalsContact C-N 3.26Å; S595-N597 PolarHBondContact O-N 3.28Å | ||
| 598 | S | 30.9 | Very low | 37.9 | Very low | 105 Ų | 105 | 137.9 Ų | 137.9 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | trans | -13 | 117.9 | 161.7 | 168.7 | 0 | 0 | 0 | 0 | 117.1 | K596 | K596-S598 PolarHBondContact O-N 3.12Å; K596-S598 VanDerWaalsContact O-N 3.13Å | ||
| 599 | L | 35.8 | Very low | 37.9 | Very low | 171 Ų | 171 | 139.3 Ų | 139.3 | 90% | 0.895 | 78% | 0.777 | S | S | * | * | trans | -161 | 121.6 | 145.3 | -105.3 | 150.6 | 0 | 0 | 0 | 109.1 | ||||
| 600 | S | 41.2 | Very low | 38.2 | Very low | 106 Ų | 106 | 133.5 Ų | 133.5 | 74% | 0.741 | 77% | 0.769 | S | S | * | * | trans | -89.4 | 144 | -167.6 | -53.9 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 601 | P | 38.5 | Very low | 38.6 | Very low | 116 Ų | 116 | 136.8 Ų | 136.8 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | trans | -72.4 | 129.3 | 163.4 | 31.1 | -32.3 | 0 | 0 | 0 | 110 | ||||
| 602 | M | 43.5 | Very low | 39.1 | Very low | 136 Ų | 136 | 135.7 Ų | 135.7 | 67% | 0.67 | 78% | 0.778 | S | S | * | * | trans | -97 | 108.1 | -173.4 | -177.2 | 165.7 | 59.8 | 0 | 0 | 111.3 | A256 | A256-M602 HydrophobicContact CB-CE 3.94Š| ||
| 603 | F | 52.2 | Low | 39.5 | Very low | 184 Ų | 184 | 137.3 Ų | 137.3 | 81% | 0.807 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -86.1 | 136.5 | 167.7 | -83.4 | -89 | 0 | 0 | 0 | 110.6 | ||
| 604 | P | 51.5 | Low | 40 | Very low | 125 Ų | 125 | 139.9 Ų | 139.9 | 81% | 0.812 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 135.3 | 167 | -16 | 30.7 | 0 | 0 | 0 | 111.2 | ||
| 605 | Q | 39.8 | Very low | 40.2 | Very low | 186 Ų | 186 | 139.7 Ų | 139.7 | 87% | 0.869 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -102.7 | 128.5 | 163.9 | -89.6 | -169.8 | -32 | 0 | 0 | 110 | ||
| 606 | D | 42.9 | Very low | 40.5 | Very low | 174 Ų | 174 | 139 Ų | 139 | 93% | 0.93 | 78% | 0.782 | S | S | * | * | trans | -160.8 | 133.5 | 150.6 | -93.5 | -41.4 | 0 | 0 | 0 | 106.5 | ||||
| 607 | G | 40 | Very low | 40.9 | Very low | 61 Ų | 61 | 136.8 Ų | 136.8 | 63% | 0.629 | 78% | 0.775 | S | S | * | * | cis | -178.8 | 161.2 | -8.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 608 | S | 45.4 | Very low | 41 | Very low | 106 Ų | 106 | 136.2 Ų | 136.2 | 74% | 0.741 | 77% | 0.768 | S | S | * | * | trans | 72.3 | 123 | 168.6 | 76.5 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 609 | N | 40 | Very low | 41.4 | Very low | 160 Ų | 160 | 136.7 Ų | 136.7 | 86% | 0.856 | 76% | 0.762 | S | S | * | * | trans | 55.2 | 123.7 | 130.2 | -49.1 | -11.6 | 0 | 0 | 0 | 121.2 | ||||
| 610 | G | 39.5 | Very low | 41.4 | Very low | 71 Ų | 71 | 134.9 Ų | 134.9 | 73% | 0.732 | 75% | 0.754 | S | S | * | * | cis | 152.9 | -179.7 | -9.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 611 | I | 42.3 | Very low | 41.3 | Very low | 151 Ų | 151 | 137.2 Ų | 137.2 | 77% | 0.774 | 76% | 0.757 | S | S | * | * | trans | 76.2 | 104.7 | 151.8 | -51.1 | -176.8 | 0 | 0 | 0 | 119.3 | ||||
| 612 | N | 39.8 | Very low | 41.5 | Very low | 142 Ų | 142 | 138.3 Ų | 138.3 | 76% | 0.759 | 76% | 0.756 | S | S | * | * | trans | 72.8 | 107.6 | 143.1 | -60.6 | 1 | 0 | 0 | 0 | 123.3 | ||||
| 613 | N | 37.1 | Very low | 41.3 | Very low | 151 Ų | 151 | 137.4 Ų | 137.4 | 81% | 0.807 | 75% | 0.754 | S | S | * | * | 0.7 | 139.4 | 124 | -50.6 | -6.7 | 0 | 0 | 0 | 118.4 | |||||
| 614 | H | 43 | Very low | 40.7 | Very low | 197 Ų | 197 | 134.1 Ų | 134.1 | 91% | 0.912 | 74% | 0.744 | S | S | * | * | -146.3 | 163 | 117.7 | -129.6 | -85.6 | 0 | 0 | 0 | 113.2 | |||||
| 615 | D | 39.4 | Very low | 40.2 | Very low | 133 Ų | 133 | 136.2 Ų | 136.2 | 71% | 0.711 | 74% | 0.743 | S | S | * | * | trans | -97.8 | 171.1 | -155.4 | -148 | -39.2 | 0 | 0 | 0 | 115 | ||||
| 616 | S | 41.3 | Very low | 40.1 | Very low | 82 Ų | 82 | 132.3 Ų | 132.3 | 57% | 0.573 | 74% | 0.735 | S | S | * | * | trans | 76.4 | 117.9 | 144.2 | -70.4 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 617 | Q | 39.5 | Very low | 39.9 | Very low | 160 Ų | 160 | 133.6 Ų | 133.6 | 75% | 0.748 | 73% | 0.727 | S | S | * | * | 79 | 121.9 | 122.9 | -69.6 | -174.9 | -30.6 | 0 | 0 | 123.6 | |||||
| 618 | Q | 38.1 | Very low | 39.9 | Very low | 144 Ų | 144 | 137 Ų | 137 | 67% | 0.673 | 73% | 0.73 | S | S | * | * | 90.8 | 137.5 | 125.4 | -77.7 | -170.4 | -82.9 | 0 | 0 | 124 | |||||
| 619 | D | 38.6 | Very low | 39.7 | Very low | 114 Ų | 114 | 137.5 Ų | 137.5 | 61% | 0.61 | 73% | 0.725 | S | S | * | * | trans | 71.5 | 114.7 | 141.8 | -65 | 9.6 | 0 | 0 | 0 | 122.4 | ||||
| 620 | N | 36.7 | Very low | 39.9 | Very low | 134 Ų | 134 | 136.1 Ų | 136.1 | 72% | 0.717 | 72% | 0.717 | S | S | * | * | 47.4 | 122.7 | 128.6 | -51.8 | -52.8 | 0 | 0 | 0 | 119.8 | |||||
| 621 | L | 39.2 | Very low | 40.2 | Very low | 154 Ų | 154 | 140.3 Ų | 140.3 | 81% | 0.806 | 72% | 0.717 | S | S | * | * | -179.8 | 140.7 | 98.3 | -91.7 | 170 | 0 | 0 | 0 | 113.9 | |||||
| 622 | L | 41.3 | Very low | 40.8 | Very low | 140 Ų | 140 | 139.5 Ų | 139.5 | 73% | 0.733 | 72% | 0.72 | S | S | * | * | trans | 26.9 | 141.3 | 144.3 | -94.9 | 64.4 | 0 | 0 | 0 | 124.4 | ||||
| 623 | N | 39.4 | Very low | 41.5 | Very low | 117 Ų | 117 | 137.2 Ų | 137.2 | 63% | 0.626 | 71% | 0.711 | S | S | * | * | 106.3 | 131.8 | 128.4 | -86.2 | 32.5 | 0 | 0 | 0 | 124 | |||||
| 624 | D | 40.3 | Very low | 42.3 | Very low | 115 Ų | 115 | 139.4 Ų | 139.4 | 62% | 0.615 | 71% | 0.714 | S | S | * | * | trans | 79.6 | 92.3 | 132.2 | -61 | -9.6 | 0 | 0 | 0 | 123.8 | ||||
| 625 | H | 41.8 | Very low | 42.8 | Very low | 168 Ų | 168 | 143.2 Ų | 143.2 | 78% | 0.778 | 73% | 0.727 | S | S | * | * | 86.7 | 141.5 | 109.2 | -90.5 | -6.5 | 0 | 0 | 0 | 122.8 | |||||
| 626 | C | 36.7 | Very low | 42.9 | Very low | 105 Ų | 105 | 143.7 Ų | 143.7 | 71% | 0.709 | 73% | 0.728 | S | S | * | * | trans | 74.1 | 151.4 | 146.8 | -74.5 | 0 | 0 | 0 | 0 | 120 | ||||
| 627 | R | 38.3 | Very low | 43 | Very low | 201 Ų | 201 | 146.9 Ų | 146.9 | 76% | 0.758 | 74% | 0.736 | S | S | * | * | cis | -171.1 | -180 | -31.4 | -145.6 | 174.6 | 82.3 | -179.6 | 6 | 108 | ||||
| 628 | L | 40.8 | Very low | 43.2 | Very low | 133 Ų | 133 | 146.2 Ų | 146.2 | 70% | 0.696 | 74% | 0.736 | S | S | * | * | trans | 80.2 | 145 | 164.9 | -56.1 | 170.5 | 0 | 0 | 0 | 117.3 | ||||
| 629 | N | 41.8 | Very low | 43.5 | Very low | 116 Ų | 116 | 146.4 Ų | 146.4 | 62% | 0.62 | 74% | 0.739 | S | S | * | * | cis | -169.2 | 164.8 | -33.2 | -125 | 51.6 | 0 | 0 | 0 | 111 | ||||
| 630 | N | 43.3 | Very low | 43.8 | Very low | 131 Ų | 131 | 148.4 Ų | 148.4 | 70% | 0.701 | 75% | 0.747 | S | S | * | * | trans | 66.5 | 134 | 163.5 | -55.3 | 4.8 | 0 | 0 | 0 | 117 | ||||
| 631 | E | 46.1 | Very low | 44.3 | Very low | 158 Ų | 158 | 149.3 Ų | 149.3 | 74% | 0.738 | 75% | 0.75 | S | S | * | * | cis | 108.9 | 114.2 | 17.6 | -175.7 | -177.2 | -167.2 | 0 | 0 | 113.2 | ||||
| 632 | T | 54.9 | Low | 44.7 | Very low | 134 Ų | 134 | 149 Ų | 149 | 82% | 0.822 | 75% | 0.745 | S | S | * | * | trans | -152.7 | 84.7 | 159.5 | -54.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 633 | T | 53.8 | Low | 44.9 | Very low | 95 Ų | 95 | 149.7 Ų | 149.7 | 58% | 0.583 | 75% | 0.746 | S | S | * | * | trans | 29.1 | 141.6 | 134.3 | 14.2 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 634 | K | 53.3 | Low | 45.4 | Very low | 197 Ų | 197 | 152.4 Ų | 152.4 | 86% | 0.857 | 76% | 0.756 | S | S | * | * | trans | 81.1 | 142.6 | 154.1 | -62.7 | 156.6 | -173.6 | 169.5 | 0 | 116.5 | ||||
| 635 | K | 53.6 | Low | 45.9 | Very low | 276 Ų | 276 | 155.8 Ų | 155.8 | 100% | 1.2 | 77% | 0.769 | S | S | * | * | cis | -140.3 | 0 | 4.7 | -164.9 | -175.7 | 178.7 | -172.6 | 0 | 111.2 |
Retrieved 635 of 635 residues in 234.6 ms
(Link to these results)