| 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 | 38.4 | Very low | 32.8 | Very low | 243 Ų | 243 | 150.4 Ų | 150.4 | 100% | 1.197 | 87% | 0.867 | S | S | * | * | 0 | 153.3 | 0 | -78.6 | 178 | 165.6 | 0 | 0 | 108.2 | |||||
| 2 | A | 31.7 | Very low | 32.9 | Very low | 89 Ų | 89 | 146.1 Ų | 146.1 | 74% | 0.736 | 86% | 0.863 | S | S | * | * | trans | 65.9 | 143.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 3 | M | 28.7 | Very low | 32.7 | Very low | 172 Ų | 172 | 153 Ų | 153 | 85% | 0.847 | 87% | 0.868 | S | S | * | * | cis | -140.6 | 133 | -20.4 | -63.5 | -162.4 | -174.4 | 0 | 0 | 106.1 | ||||
| 4 | V | 33 | Very low | 32.6 | Very low | 130 Ų | 130 | 159.1 Ų | 159.1 | 79% | 0.788 | 87% | 0.87 | S | S | * | * | 65.3 | 109.3 | 80.2 | -176.8 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 5 | T | 36.3 | Very low | 32.5 | Very low | 130 Ų | 130 | 155.3 Ų | 155.3 | 80% | 0.798 | 87% | 0.868 | S | S | * | * | trans | 51.8 | 130.7 | 159.7 | 57 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 6 | E | 32.6 | Very low | 32.5 | Very low | 195 Ų | 195 | 154.6 Ų | 154.6 | 91% | 0.911 | 87% | 0.869 | S | S | * | * | -156.3 | 164.5 | 103.6 | -117.3 | 177.4 | -170.1 | 0 | 0 | 112.6 | |||||
| 7 | M | 36.6 | Very low | 32.7 | Very low | 196 Ų | 196 | 150 Ų | 150 | 97% | 0.966 | 87% | 0.865 | S | S | * | * | trans | -107.6 | 138.2 | 178.7 | -71.1 | -177.7 | 173.5 | 0 | 0 | 110.9 | ||||
| 8 | G | 28.1 | Very low | 32.7 | Very low | 80 Ų | 80 | 151.1 Ų | 151.1 | 83% | 0.825 | 86% | 0.86 | S | S | * | * | trans | -142.7 | 111 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 9 | A | 33.8 | Very low | 32.9 | Very low | 85 Ų | 85 | 149.9 Ų | 149.9 | 70% | 0.702 | 86% | 0.86 | S | S | * | * | trans | -90.4 | 145.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L11 | A9-L11 HydrophobicContact CB-CD1 4.48Š| ||
| 10 | N | 31.6 | Very low | 32.7 | Very low | 171 Ų | 171 | 148.9 Ų | 148.9 | 91% | 0.914 | 85% | 0.851 | S | S | * | * | trans | -137.8 | 92.5 | 161.6 | -92.6 | -58.1 | 0 | 0 | 0 | 109.1 | ||||
| 11 | L | 30.4 | Very low | 33.1 | Very low | 163 Ų | 163 | 150 Ų | 150 | 85% | 0.853 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 121.7 | 167.5 | -82.6 | 90.7 | 0 | 0 | 0 | 109.4 | A9 | A9-L11 HydrophobicContact CB-CD1 4.48Š|
| 12 | A | 33.4 | Very low | 32.8 | Very low | 99 Ų | 99 | 145.7 Ų | 145.7 | 82% | 0.818 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 140.5 | 162.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||
| 13 | Y | 30.1 | Very low | 32.8 | Very low | 236 Ų | 236 | 149.2 Ų | 149.2 | 93% | 0.925 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 142.5 | -176.8 | -117.8 | -110.2 | 0 | 0 | 0 | 112.6 | ||
| 14 | R | 31.9 | Very low | 32.9 | Very low | 238 Ų | 238 | 145.4 Ų | 145.4 | 90% | 0.898 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -86 | 127.7 | 160.8 | -95.4 | -176 | 170.3 | 174.4 | -3.1 | 109.6 | ||
| 15 | A | 30.7 | Very low | 33.2 | Very low | 102 Ų | 102 | 146.5 Ų | 146.5 | 84% | 0.843 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -99.4 | 158.6 | 156.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||
| 16 | T | 33 | Very low | 33 | Very low | 144 Ų | 144 | 149.8 Ų | 149.8 | 88% | 0.883 | 82% | 0.821 | S | S | * | * | trans | -107.6 | 126.9 | -164.1 | 49.2 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 17 | G | 36.3 | Very low | 33.2 | Very low | 77 Ų | 77 | 149.1 Ų | 149.1 | 79% | 0.794 | 81% | 0.81 | S | S | * | * | trans | 94.9 | 88.5 | 140.9 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 18 | E | 31.8 | Very low | 33.3 | Very low | 169 Ų | 169 | 146.5 Ų | 146.5 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | trans | -144.7 | 144.9 | 140.2 | -80.4 | -150.9 | 126.6 | 0 | 0 | 109.9 | N20 | E18-N20 PolarHBondContact O-N 2.98Å; E18-N20 VanDerWaalsContact O-N 3.09Å | ||
| 19 | P | 36 | Very low | 33.8 | Very low | 130 Ų | 130 | 149.8 Ų | 149.8 | 84% | 0.844 | 78% | 0.784 | S | S | * | * | trans | -87.5 | 64.4 | -174 | 36.6 | -36.5 | 0 | 0 | 0 | 112.5 | H21 | P19-H21 PolarHBondContact O-N 3.47Å; P19-H21 VanDerWaalsContact O-N 3.11Å | ||
| 20 | N | 29.6 | Very low | 34.5 | Very low | 129 Ų | 129 | 150 Ų | 150 | 69% | 0.69 | 78% | 0.776 | S | S | * | * | trans | -68.8 | 109.1 | 175.8 | -103 | -48.8 | 0 | 0 | 0 | 111.3 | E18 L22 | E18-N20 PolarHBondContact O-N 2.98Å; E18-N20 VanDerWaalsContact O-N 3.09Å; N20-L22 PolarHBondContact O-N 2.9Å | ||
| 21 | H | 40.5 | Very low | 35.3 | Very low | 173 Ų | 173 | 144.9 Ų | 144.9 | 80% | 0.801 | 75% | 0.749 | S | S | * | * | trans | -76.2 | 54.1 | 179.7 | -167 | -73.4 | 0 | 0 | 0 | 112 | P19 Q23 | P19-H21 PolarHBondContact O-N 3.47Å; P19-H21 VanDerWaalsContact O-N 3.11Å; H21-Q23 VanDerWaalsContact C-N 3.34Å; H21-Q23 PolarHBondContact O-N 3.12Å | ||
| 22 | L | 33.1 | Very low | 36.5 | Very low | 151 Ų | 151 | 142.1 Ų | 142.1 | 79% | 0.791 | 73% | 0.734 | S | S | * | * | trans | -75.3 | 89.7 | 170.7 | -78.8 | 168.8 | 0 | 0 | 0 | 109.1 | N20 A24 | N20-L22 PolarHBondContact O-N 2.9Å; L22-A24 PolarHBondContact O-N 2.97Å | ||
| 23 | Q | 31.5 | Very low | 37.9 | Very low | 163 Ų | 163 | 140.1 Ų | 140.1 | 76% | 0.762 | 71% | 0.712 | S | S | * | * | trans | -57.4 | 100.8 | 172.5 | -175 | 178.4 | 18.8 | 0 | 0 | 109.1 | H21 Q25 | H21-Q23 VanDerWaalsContact C-N 3.34Å; H21-Q23 PolarHBondContact O-N 3.12Å; Q23-Q25 PolarHBondContact O-N 3.45Å | ||
| 24 | A | 30.4 | Very low | 39.7 | Very low | 92 Ų | 92 | 131.2 Ų | 131.2 | 76% | 0.76 | 69% | 0.687 | S | S | * | * | trans | -60.5 | 105.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | L22 R26 | L22-A24 PolarHBondContact O-N 2.97Å; A24-R26 PolarHBondContact O-N 3.22Å | ||
| 25 | Q | 40.4 | Very low | 41.7 | Very low | 153 Ų | 153 | 124.6 Ų | 124.6 | 72% | 0.715 | 67% | 0.67 | S | S | * | * | trans | -62.4 | 105.6 | 177.9 | -79.2 | -171.2 | -24.3 | 0 | 0 | 109 | Q23 W27 | Q23-Q25 PolarHBondContact O-N 3.45Å; Q25-W27 PolarHBondContact O-N 3.19Å | ||
| 26 | R | 31.9 | Very low | 43.8 | Very low | 200 Ų | 200 | 125 Ų | 125 | 76% | 0.755 | 65% | 0.654 | S | S | * | * | trans | -78.4 | 77.6 | 176.9 | -173.8 | -179.5 | -171.3 | 160.3 | 2.1 | 108 | A24 Y28 | A24-R26 PolarHBondContact O-N 3.22Å; R26-Y28 WeakPolarHBondContact O-CD2 3.43Å; R26-Y28 VanDerWaalsContact O-CE2 3.27Å; R26-Y28 WeakPolarHBondContact O-CE2 3.4Å; R26-Y28 PolarHBondContact O-N 2.91Å | ||
| 27 | W | 35.2 | Very low | 46 | Very low | 181 Ų | 181 | 124 Ų | 124 | 69% | 0.686 | 64% | 0.639 | S | S | * | * | trans | -48 | 112.8 | 174.8 | -68.4 | 82.8 | 0 | 0 | 0 | 109.5 | Q25 | Q25-W27 PolarHBondContact O-N 3.19Š| ||
| 28 | Y | 38.7 | Very low | 48.2 | Very low | 140 Ų | 140 | 123.5 Ų | 123.5 | 55% | 0.549 | 62% | 0.624 | S | S | . | * | trans | -80.2 | 142.8 | -178.5 | -65.8 | -95.3 | 0 | 0 | 0 | 108.5 | R26 T30 D31 | R26-Y28 WeakPolarHBondContact O-CD2 3.43Å; R26-Y28 VanDerWaalsContact O-CE2 3.27Å; R26-Y28 WeakPolarHBondContact O-CE2 3.4Å; R26-Y28 PolarHBondContact O-N 2.91Å; Y28-T30 WeakPolarHBondContact CB-OG1 3.4Å; Y28-T30 PolarHBondContact O-N 3.43Å; Y28-T30 VanDerWaalsContact O-N 3.09Å; Y28-D31 WeakPolarHBondContact CB-OD2 3.23Å; Y28-D31 PolarHBondContact N-OD2 3.06Å; Y28-D31 VanDerWaalsContact N-OD2 3.14Å; Y28-D31 PolarHBondContact O-N 3.2Å | ||
| 29 | H | 39.8 | Very low | 50.8 | Low | 150 Ų | 150 | 122 Ų | 122 | 69% | 0.694 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -59.2 | -25.4 | -179.2 | -170.1 | -52.7 | 0 | 0 | 0 | 112 | D31 T33 | H29-D31 VanDerWaalsContact C-N 3.31Å; H29-D31 PolarHBondContact O-N 3.04Å; H29-T33 PolarHBondContact O-N 3.41Å; H29-T33 PolarHBondContact O-OG1 3.43Å; H29-T33 VanDerWaalsContact O-OG1 3.05Å |
| 30 | T | 47.4 | Very low | 53.2 | Low | 88 Ų | 88 | 119.7 Ų | 119.7 | 54% | 0.54 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -55.1 | -43.5 | 170.8 | 41.1 | 0 | 0 | 0 | 0 | 112.8 | Y28 T33 A34 | Y28-T30 WeakPolarHBondContact CB-OG1 3.4Å; Y28-T30 PolarHBondContact O-N 3.43Å; Y28-T30 VanDerWaalsContact O-N 3.09Å; T30-T33 VanDerWaalsContact C-OG1 3.32Å; T30-T33 WeakPolarHBondContact CA-OG1 3.37Å; T30-T33 PolarHBondContact O-N 3.18Å; T30-T33 PolarHBondContact O-OG1 3.16Å; T30-A34 WeakPolarHBondContact O-CB 3.25Å; T30-A34 PolarHBondContact O-N 3.45Å |
| 31 | D | 50.3 | Low | 56 | Low | 65 Ų | 65 | 116.3 Ų | 116.3 | 35% | 0.348 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -77.1 | -37.5 | -167 | -40.7 | -21.9 | 0 | 0 | 0 | 109.5 | Y28 H29 A34 N35 | Y28-D31 WeakPolarHBondContact CB-OD2 3.23Å; Y28-D31 PolarHBondContact N-OD2 3.06Å; Y28-D31 VanDerWaalsContact N-OD2 3.14Å; Y28-D31 PolarHBondContact O-N 3.2Å; H29-D31 VanDerWaalsContact C-N 3.31Å; H29-D31 PolarHBondContact O-N 3.04Å; D31-A34 PolarHBondContact O-N 3.1Å; D31-N35 VanDerWaalsContact O-CB 3.3Å; D31-N35 WeakPolarHBondContact O-CB 3.36Å; D31-N35 PolarHBondContact O-N 3.45Å; D31-N35 PolarHBondContact O-ND2 3.01Å |
| 32 | I | 55.2 | Low | 58.2 | Low | 104 Ų | 104 | 114.9 Ų | 114.9 | 53% | 0.533 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -61.8 | -44.9 | 170.3 | -58.2 | 176.2 | 0 | 0 | 0 | 110.2 | H36 | I32-H36 VanDerWaalsContact O-CB 3.28Å; I32-H36 WeakPolarHBondContact O-CB 3.37Å; I32-H36 PolarHBondContact O-N 3.38Å |
| 33 | T | 62.8 | Low | 60.9 | Low | 57 Ų | 57 | 111 Ų | 111 | 35% | 0.35 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -67.7 | -38.4 | 177.9 | 44.7 | 0 | 0 | 0 | 0 | 113.3 | H29 T30 H36 Q37 | H29-T33 PolarHBondContact O-N 3.41Å; H29-T33 PolarHBondContact O-OG1 3.43Å; H29-T33 VanDerWaalsContact O-OG1 3.05Å; T30-T33 VanDerWaalsContact C-OG1 3.32Å; T30-T33 WeakPolarHBondContact CA-OG1 3.37Å; T30-T33 PolarHBondContact O-N 3.18Å; T30-T33 PolarHBondContact O-OG1 3.16Å; T33-H36 PolarHBondContact O-N 3.03Å; T33-Q37 WeakPolarHBondContact O-CB 3.32Å; T33-Q37 VanDerWaalsContact O-CG 3.23Å; T33-Q37 WeakPolarHBondContact O-CG 3.47Å; T33-Q37 PolarHBondContact O-N 2.78Å |
| 34 | A | 67.3 | Low | 63.7 | Low | 49 Ų | 49 | 105.7 Ų | 105.7 | 41% | 0.405 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66.8 | -45.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | T30 D31 H36 Q37 S38 | T30-A34 WeakPolarHBondContact O-CB 3.25Å; T30-A34 PolarHBondContact O-N 3.45Å; D31-A34 PolarHBondContact O-N 3.1Å; A34-H36 VanDerWaalsContact C-N 3.3Å; A34-H36 PolarHBondContact O-N 3.1Å; A34-Q37 PolarHBondContact O-N 3.06Å; A34-S38 PolarHBondContact O-N 2.75Å; A34-S38 PolarHBondContact O-OG 3.03Å |
| 35 | N | 72.9 | Confident | 66.6 | Low | 100 Ų | 100 | 102.1 Ų | 102.1 | 54% | 0.535 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.8 | -32.7 | 176.6 | -70.1 | -18.8 | 0 | 0 | 0 | 112.4 | D31 S38 Y39 | D31-N35 VanDerWaalsContact O-CB 3.3Å; D31-N35 WeakPolarHBondContact O-CB 3.36Å; D31-N35 PolarHBondContact O-N 3.45Å; D31-N35 PolarHBondContact O-ND2 3.01Å; N35-S38 PolarHBondContact O-OG 3.33Å; N35-Y39 WeakPolarHBondContact O-CB 3.34Å; N35-Y39 PolarHBondContact O-N 3.32Å; N35-Y39 VanDerWaalsContact O-N 3.12Å |
| 36 | H | 75.2 | Confident | 69 | Low | 111 Ų | 111 | 98 Ų | 98 | 51% | 0.514 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -69.6 | -41.6 | 173 | -173.9 | 54.3 | 0 | 0 | 0 | 111.8 | I32 T33 A34 Y39 L40 | I32-H36 VanDerWaalsContact O-CB 3.28Å; I32-H36 WeakPolarHBondContact O-CB 3.37Å; I32-H36 PolarHBondContact O-N 3.38Å; T33-H36 PolarHBondContact O-N 3.03Å; A34-H36 VanDerWaalsContact C-N 3.3Å; A34-H36 PolarHBondContact O-N 3.1Å; H36-Y39 PolarHBondContact O-N 2.83Å; H36-L40 WeakPolarHBondContact O-CG 3.41Å; H36-L40 PolarHBondContact O-N 2.87Å |
| 37 | Q | 80 | Confident | 71.8 | Confident | 121 Ų | 121 | 91.2 Ų | 91.2 | 57% | 0.565 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -63.8 | -44.3 | 176.7 | -75.6 | 167.1 | -7 | 0 | 0 | 112.4 | T33 A34 L40 L41 | T33-Q37 WeakPolarHBondContact O-CB 3.32Å; T33-Q37 VanDerWaalsContact O-CG 3.23Å; T33-Q37 WeakPolarHBondContact O-CG 3.47Å; T33-Q37 PolarHBondContact O-N 2.78Å; A34-Q37 PolarHBondContact O-N 3.06Å; Q37-L40 PolarHBondContact O-N 3.33Å; Q37-L41 PolarHBondContact O-N 3.03Å |
| 38 | S | 82.4 | Confident | 74.5 | Confident | 67 Ų | 67 | 83.9 Ų | 83.9 | 47% | 0.469 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -67.1 | -35.1 | 176.6 | 62.7 | 0 | 0 | 0 | 0 | 112.5 | A34 N35 K42 | A34-S38 PolarHBondContact O-N 2.75Å; A34-S38 PolarHBondContact O-OG 3.03Å; N35-S38 PolarHBondContact O-OG 3.33Å; S38-K42 WeakPolarHBondContact O-CB 3.11Å; S38-K42 PolarHBondContact O-N 3.39Å |
| 39 | Y | 85.8 | Confident | 77 | Confident | 138 Ų | 138 | 84 Ų | 84 | 54% | 0.541 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -64.3 | -43.4 | 171.7 | -176.6 | -95.5 | 0 | 0 | 0 | 112.4 | N35 H36 K42 Q43 | N35-Y39 WeakPolarHBondContact O-CB 3.34Å; N35-Y39 PolarHBondContact O-N 3.32Å; N35-Y39 VanDerWaalsContact O-N 3.12Å; H36-Y39 PolarHBondContact O-N 2.83Å; Y39-K42 PolarHBondContact O-N 2.89Å; Y39-Q43 HydrophobicContact CD1-CG 4.32Å; Y39-Q43 HydrophobicContact CE1-CG 3.92Å; Y39-Q43 WeakPolarHBondContact O-CG 3.49Å; Y39-Q43 PolarHBondContact O-N 3.19Å; Y39-Q43 PolarHBondContact OH-NE2 2.94Å |
| 40 | L | 87.4 | Confident | 79.4 | Confident | 82 Ų | 82 | 83 Ų | 83 | 43% | 0.429 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -63.7 | -44.6 | 176.3 | -73 | 172.2 | 0 | 0 | 0 | 112.1 | H36 Q37 K42 Q43 L44 | H36-L40 WeakPolarHBondContact O-CG 3.41Å; H36-L40 PolarHBondContact O-N 2.87Å; Q37-L40 PolarHBondContact O-N 3.33Å; L40-K42 VanDerWaalsContact C-N 3.34Å; L40-K42 PolarHBondContact O-N 3.08Å; L40-Q43 PolarHBondContact O-N 3.05Å; L40-Q43 VanDerWaalsContact O-N 3.16Å; L40-L44 WeakPolarHBondContact O-CG 3.35Å; L40-L44 PolarHBondContact O-N 3.42Å |
| 41 | L | 86.9 | Confident | 81.4 | Confident | 57 Ų | 57 | 84.2 Ų | 84.2 | 30% | 0.298 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -57.5 | -45.9 | 174.4 | -84.8 | 162.5 | 0 | 0 | 0 | 111.6 | Q37 Q43 L44 D45 Y114 | Q37-L41 PolarHBondContact O-N 3.03Å; L41-Q43 VanDerWaalsContact C-N 3.3Å; L41-Q43 PolarHBondContact O-N 3.36Å; L41-L44 PolarHBondContact O-N 3.13Å; L41-L44 VanDerWaalsContact O-N 3.13Å; L41-D45 PolarHBondContact O-N 2.95Å; L41-Y114 CarbonylContact C-O 3.41Å |
| 42 | K | 87.7 | Confident | 83.2 | Confident | 144 Ų | 144 | 84.9 Ų | 84.9 | 63% | 0.626 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -61.9 | -33.4 | 175.9 | -171.2 | 168.2 | -174.7 | 168.4 | 0 | 113.5 | S38 Y39 L40 N46 | S38-K42 WeakPolarHBondContact O-CB 3.11Å; S38-K42 PolarHBondContact O-N 3.39Å; Y39-K42 PolarHBondContact O-N 2.89Å; L40-K42 VanDerWaalsContact C-N 3.34Å; L40-K42 PolarHBondContact O-N 3.08Å; K42-N46 PolarHBondContact O-N 3.09Å; K42-N46 VanDerWaalsContact O-N 3.15Å; K42-N46 PolarHBondContact O-ND2 2.69Å |
| 43 | Q | 89.6 | Confident | 84.7 | Confident | 68 Ų | 68 | 87.7 Ų | 87.7 | 32% | 0.318 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -72.3 | -37.6 | 173.5 | -68.6 | -65.2 | -5.2 | 0 | 0 | 112.4 | Y39 L40 L41 D45 N46 Q47 | Y39-Q43 HydrophobicContact CD1-CG 4.32Å; Y39-Q43 HydrophobicContact CE1-CG 3.92Å; Y39-Q43 WeakPolarHBondContact O-CG 3.49Å; Y39-Q43 PolarHBondContact O-N 3.19Å; Y39-Q43 PolarHBondContact OH-NE2 2.94Å; L40-Q43 PolarHBondContact O-N 3.05Å; L40-Q43 VanDerWaalsContact O-N 3.16Å; L41-Q43 VanDerWaalsContact C-N 3.3Å; L41-Q43 PolarHBondContact O-N 3.36Å; Q43-D45 VanDerWaalsContact C-N 3.33Å; Q43-N46 PolarHBondContact O-N 2.99Å; Q43-Q47 WeakPolarHBondContact O-CG 3.32Å; Q43-Q47 PolarHBondContact O-N 3.1Å |
| 44 | L | 90.6 | Very high | 85.9 | Confident | 53 Ų | 53 | 86.1 Ų | 86.1 | 28% | 0.277 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -66.6 | -33.8 | 173.4 | -69.8 | 168.2 | 0 | 0 | 0 | 112.1 | L40 L41 Q47 R48 H68 V71 Y114 | L40-L44 WeakPolarHBondContact O-CG 3.35Å; L40-L44 PolarHBondContact O-N 3.42Å; L41-L44 PolarHBondContact O-N 3.13Å; L41-L44 VanDerWaalsContact O-N 3.13Å; L44-Q47 PolarHBondContact O-N 3.4Å; L44-R48 WeakPolarHBondContact O-CB 3.08Å; L44-R48 PolarHBondContact O-N 3.28Å; L44-H68 PolarHBondContact O-CE1 3.47Å; L44-V71 HydrophobicContact CD1-CG2 4.11Å; L44-Y114 HydrophobicContact CB-CD1 4.15Å; L44-Y114 HydrophobicContact CB-CE1 4.1Å |
| 45 | D | 90.8 | Very high | 86.8 | Confident | 17 Ų | 17 | 86.5 Ų | 86.5 | 9% | 0.091 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -67.6 | -43.7 | 173.9 | -166.5 | 39.4 | 0 | 0 | 0 | 112.1 | L41 Q43 Q47 R48 R49 Y114 | L41-D45 PolarHBondContact O-N 2.95Å; Q43-D45 VanDerWaalsContact C-N 3.33Å; D45-Q47 VanDerWaalsContact C-N 3.28Å; D45-Q47 PolarHBondContact O-N 2.9Å; D45-R48 WeakPolarHBondContact O-CB 3.41Å; D45-R48 PolarHBondContact O-N 3.23Å; D45-R48 IonicContact OD1-CZ 2.85Å; D45-R48 VanDerWaalsContact OD1-CZ 3.24Å; D45-R48 IonicContact OD1-NE 3.17Å; D45-R48 PolarHBondContact OD1-NE 3.37Å; D45-R48 IonicContact OD1-NH2 2.78Å; D45-R48 PolarHBondContact OD1-NH2 3.16Å; D45-R49 WeakPolarHBondContact O-CG 3.27Å; D45-R49 PolarHBondContact O-N 3.04Å; D45-R49 IonicContact OD1-CZ 3.32Å; D45-R49 IonicContact OD1-NE 2.7Å; D45-R49 PolarHBondContact OD1-NE 2.83Å; D45-R49 IonicContact OD1-NH2 3.49Å; D45-R49 IonicContact OD2-CZ 3.06Å; D45-R49 IonicContact OD2-NE 3.21Å; D45-R49 PolarHBondContact OD2-NE 3Å; D45-R49 IonicContact OD2-NH2 2.7Å; D45-R49 PolarHBondContact OD2-NH2 2.9Å; D45-Y114 HydrophobicContact CB-CD1 4.25Å |
| 46 | N | 91.3 | Very high | 87.6 | Confident | 65 Ų | 65 | 81.8 Ų | 81.8 | 35% | 0.348 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -57.7 | -41.6 | 172.8 | -73.5 | -24.1 | 0 | 0 | 0 | 111.7 | K42 Q43 Q50 | K42-N46 PolarHBondContact O-N 3.09Å; K42-N46 VanDerWaalsContact O-N 3.15Å; K42-N46 PolarHBondContact O-ND2 2.69Å; Q43-N46 PolarHBondContact O-N 2.99Å; N46-Q50 WeakPolarHBondContact O-CB 3.43Å; N46-Q50 VanDerWaalsContact O-CG 3.25Å; N46-Q50 WeakPolarHBondContact O-CG 3.14Å; N46-Q50 PolarHBondContact O-N 3.08Å; N46-Q50 VanDerWaalsContact O-N 3.15Å |
| 47 | Q | 91.2 | Very high | 88.3 | Confident | 59 Ų | 59 | 77.9 Ų | 77.9 | 28% | 0.276 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -65.5 | -44.6 | 176.4 | -72 | 169.2 | 22.9 | 0 | 0 | 111.6 | Q43 L44 D45 R49 Q50 E51 L52 | Q43-Q47 WeakPolarHBondContact O-CG 3.32Å; Q43-Q47 PolarHBondContact O-N 3.1Å; L44-Q47 PolarHBondContact O-N 3.4Å; D45-Q47 VanDerWaalsContact C-N 3.28Å; D45-Q47 PolarHBondContact O-N 2.9Å; Q47-R49 PolarHBondContact O-N 2.97Å; Q47-Q50 CarbonylContact O-C 3.56Å; Q47-Q50 PolarHBondContact O-N 3.25Å; Q47-Q50 VanDerWaalsContact O-N 3.1Å; Q47-E51 PolarHBondContact O-N 3.47Å; Q47-E51 VanDerWaalsContact O-N 3.08Å; Q47-L52 HydrophobicContact CB-CB 4.28Å; Q47-L52 PolarHBondContact O-N 3.17Å |
| 48 | R | 92.1 | Very high | 88.8 | Confident | 26 Ų | 26 | 72.2 Ų | 72.2 | 10% | 0.098 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -56.8 | -48.8 | 174.4 | -179.5 | -169 | 66.2 | 122.8 | -5.3 | 111.6 | L44 D45 Q50 E51 L110 D111 Y114 | L44-R48 WeakPolarHBondContact O-CB 3.08Å; L44-R48 PolarHBondContact O-N 3.28Å; D45-R48 WeakPolarHBondContact O-CB 3.41Å; D45-R48 PolarHBondContact O-N 3.23Å; D45-R48 IonicContact OD1-CZ 2.85Å; D45-R48 VanDerWaalsContact OD1-CZ 3.24Å; D45-R48 IonicContact OD1-NE 3.17Å; D45-R48 PolarHBondContact OD1-NE 3.37Å; D45-R48 IonicContact OD1-NH2 2.78Å; D45-R48 PolarHBondContact OD1-NH2 3.16Å; R48-Q50 PolarHBondContact O-N 3Å; R48-E51 WeakPolarHBondContact O-CA 3.47Å; R48-E51 PolarHBondContact O-N 3Å; R48-L110 VanDerWaalsContact NH1-CD2 3.34Å; R48-D111 IonicContact CZ-OD1 3.81Å; R48-D111 IonicContact NH1-OD1 2.72Å; R48-D111 PolarHBondContact NH1-OD1 3.39Å; R48-D111 VanDerWaalsContact NH2-CG 3.34Å; R48-D111 IonicContact NH2-OD1 3.6Å; R48-D111 PolarHBondContact NH2-OD1 3.46Å; R48-D111 IonicContact NH2-OD2 3.9Å; R48-D111 PolarHBondContact NH2-OD2 3.02Å; R48-Y114 HydrophobicContact CB-CD1 4.42Å; R48-Y114 HydrophobicContact CB-CE1 4.08Å |
| 49 | R | 89.6 | Confident | 89.2 | Confident | 144 Ų | 144 | 72 Ų | 72 | 54% | 0.543 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -69 | -13.3 | 179.4 | -65 | -175.2 | -158.7 | -90.7 | 0.3 | 113.6 | D45 Q47 D111 | D45-R49 WeakPolarHBondContact O-CG 3.27Å; D45-R49 PolarHBondContact O-N 3.04Å; D45-R49 IonicContact OD1-CZ 3.32Å; D45-R49 IonicContact OD1-NE 2.7Å; D45-R49 PolarHBondContact OD1-NE 2.83Å; D45-R49 IonicContact OD1-NH2 3.49Å; D45-R49 IonicContact OD2-CZ 3.06Å; D45-R49 IonicContact OD2-NE 3.21Å; D45-R49 PolarHBondContact OD2-NE 3Å; D45-R49 IonicContact OD2-NH2 2.7Å; D45-R49 PolarHBondContact OD2-NH2 2.9Å; Q47-R49 PolarHBondContact O-N 2.97Å; R49-D111 IonicContact CZ-OD2 2.62Å; R49-D111 IonicContact NH1-OD2 2.68Å; R49-D111 PolarHBondContact NH1-OD2 2.84Å; R49-D111 IonicContact NH2-OD2 2.8Å; R49-D111 PolarHBondContact NH2-OD2 3.47Å |
| 50 | Q | 91.6 | Very high | 89.5 | Confident | 127 Ų | 127 | 65.4 Ų | 65.4 | 59% | 0.593 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.6 | 6 | 170.9 | -66.7 | 171.7 | 19.2 | 0 | 0 | 112.5 | N46 Q47 R48 L52 | N46-Q50 WeakPolarHBondContact O-CB 3.43Å; N46-Q50 VanDerWaalsContact O-CG 3.25Å; N46-Q50 WeakPolarHBondContact O-CG 3.14Å; N46-Q50 PolarHBondContact O-N 3.08Å; N46-Q50 VanDerWaalsContact O-N 3.15Å; Q47-Q50 CarbonylContact O-C 3.56Å; Q47-Q50 PolarHBondContact O-N 3.25Å; Q47-Q50 VanDerWaalsContact O-N 3.1Å; R48-Q50 PolarHBondContact O-N 3Å; Q50-L52 HydrophobicContact CB-CD1 4.07Å; Q50-L52 HydrophobicContact CB-CG 3.88Å; Q50-L52 PolarHBondContact O-N 2.9Å; Q50-L52 VanDerWaalsContact O-N 3.09Å |
| 51 | E | 88.5 | Confident | 89.4 | Confident | 115 Ų | 115 | 67.2 Ų | 67.2 | 54% | 0.537 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.2 | 15.9 | -174.6 | -49.1 | -165.7 | 131.5 | 0 | 0 | 115.3 | Q47 R48 K66 | Q47-E51 PolarHBondContact O-N 3.47Å; Q47-E51 VanDerWaalsContact O-N 3.08Å; R48-E51 WeakPolarHBondContact O-CA 3.47Å; R48-E51 PolarHBondContact O-N 3Å; E51-K66 HydrophobicContact CB-CD 4.19Å; E51-K66 HydrophobicContact CG-CD 4.13Å; E51-K66 VanDerWaalsContact OE1-CD 3.29Å; E51-K66 WeakPolarHBondContact OE1-CD 3.42Å; E51-K66 VanDerWaalsContact OE1-CE 3.29Å; E51-K66 WeakPolarHBondContact OE1-CE 3.32Å; E51-K66 IonicContact OE1-NZ 3.71Å; E51-K66 PolarHBondContact OE1-NZ 3.06Å; E51-K66 IonicContact OE2-NZ 2.73Å; E51-K66 PolarHBondContact OE2-NZ 2.7Å |
| 52 | L | 87.7 | Confident | 89.2 | Confident | 78 Ų | 78 | 67.7 Ų | 67.7 | 41% | 0.408 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | 139.3 | 179.7 | -61.1 | 177.8 | 0 | 0 | 0 | 110.4 | Q47 Q50 C54 H68 | Q47-L52 HydrophobicContact CB-CB 4.28Å; Q47-L52 PolarHBondContact O-N 3.17Å; Q50-L52 HydrophobicContact CB-CD1 4.07Å; Q50-L52 HydrophobicContact CB-CG 3.88Å; Q50-L52 PolarHBondContact O-N 2.9Å; Q50-L52 VanDerWaalsContact O-N 3.09Å; L52-C54 PolarHBondContact O-N 2.7Å; L52-C54 PolarHBondContact O-SG 2.85Å; L52-C54 VanDerWaalsContact O-SG 3.41Å; L52-H68 PolarHBondContact O-NE2 2.78Å |
| 53 | F | 86.3 | Confident | 89.3 | Confident | 164 Ų | 164 | 65.3 Ų | 65.3 | 72% | 0.719 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.3 | 19.3 | 175.6 | -51.9 | -70.2 | 0 | 0 | 0 | 116.1 | D55 H68 | F53-D55 PolarHBondContact O-N 3.49Å; F53-H68 PolarHBondContact O-CD2 2.83Å; F53-H68 VanDerWaalsContact O-CD2 3.32Å |
| 54 | C | 88.3 | Confident | 89.4 | Confident | 23 Ų | 23 | 66.2 Ų | 66.2 | 16% | 0.155 | 33% | 0.333 | C | S | . | . | trans | -77.6 | 101.4 | 178.3 | -69.1 | 0 | 0 | 0 | 0 | 110.9 | L52 K66 | L52-C54 PolarHBondContact O-N 2.7Å; L52-C54 PolarHBondContact O-SG 2.85Å; L52-C54 VanDerWaalsContact O-SG 3.41Å; C54-K66 HydrophobicContact CB-CB 3.89Å | ||
| 55 | D | 87.8 | Confident | 89.5 | Confident | 58 Ų | 58 | 64.8 Ų | 64.8 | 31% | 0.31 | 33% | 0.325 | S | S | . | . | trans | -97.1 | 3.8 | -177.9 | 67.1 | -37.7 | 0 | 0 | 0 | 113.9 | F53 A67 H68 R69 P93 V94 | F53-D55 PolarHBondContact O-N 3.49Å; D55-A67 PolarHBondContact N-O 3.47Å; D55-H68 WeakPolarHBondContact OD1-CA 3.39Å; D55-R69 VanDerWaalsContact CG-CB 3.41Å; D55-R69 VanDerWaalsContact OD1-CB 3.22Å; D55-R69 WeakPolarHBondContact OD1-CB 3.06Å; D55-R69 PolarHBondContact OD1-N 2.97Å; D55-R69 WeakPolarHBondContact OD2-CB 3.5Å; D55-R69 WeakPolarHBondContact OD2-CD 3.42Å; D55-P93 WeakPolarHBondContact O-CA 3.38Å; D55-V94 PolarHBondContact O-N 2.96Å | ||
| 56 | C | 88.4 | Confident | 89.5 | Confident | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 135 | 176.4 | -174.8 | 0 | 0 | 0 | 0 | 111.9 | A67 R69 V94 | C56-A67 WeakPolarHBondContact CB-O 3.29Å; C56-A67 PolarHBondContact N-O 2.83Å; C56-A67 PolarHBondContact O-N 3.48Å; C56-R69 HydrophobicContact CB-CB 4.12Å; C56-V94 WeakPolarHBondContact CA-O 3.47Å; C56-V94 PolarHBondContact SG-O 2.87Å |
| 57 | N | 90.3 | Very high | 89.5 | Confident | 30 Ų | 30 | 64.2 Ų | 64.2 | 16% | 0.16 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 122.9 | 174.6 | -79.9 | -22.8 | 0 | 0 | 0 | 109.2 | L64 P93 V94 S95 T96 | N57-L64 HydrophobicContact CB-CD1 3.81Å; N57-P93 VanDerWaalsContact ND2-CG 3.28Å; N57-P93 WeakPolarHBondContact ND2-CG 3.43Å; N57-V94 PolarHBondContact N-O 3.39Å; N57-S95 CarbonylContact O-C 3.48Å; N57-S95 VanDerWaalsContact O-CA 3.29Å; N57-S95 WeakPolarHBondContact O-CA 3.38Å; N57-T96 PolarHBondContact O-N 2.96Å; N57-T96 PolarHBondContact O-OG1 3.13Å |
| 58 | V | 90.7 | Very high | 89.5 | Confident | 1 Ų | 1 | 62 Ų | 62 | 1% | 0.006 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 120.2 | 174.7 | 178.2 | 0 | 0 | 0 | 0 | 108.6 | V60 F65 L72 F79 T96 F98 F106 | V58-V60 HydrophobicContact CG1-CG2 3.98Å; V58-F65 HydrophobicContact CB-CB 4.33Å; V58-F65 PolarHBondContact N-O 3.24Å; V58-F65 PolarHBondContact O-N 3.33Å; V58-L72 HydrophobicContact CG2-CD1 3.92Å; V58-F79 HydrophobicContact CG2-CE1 4.02Å; V58-F79 HydrophobicContact CG2-CZ 4.2Å; V58-T96 WeakPolarHBondContact CA-O 3.42Å; V58-F98 HydrophobicContact CG1-CD2 3.6Å; V58-F98 HydrophobicContact CG1-CE2 3.59Å; V58-F106 HydrophobicContact CB-CE1 4.15Å; V58-F106 HydrophobicContact CB-CZ 4.12Å; V58-F106 HydrophobicContact CG1-CE1 3.73Å; V58-F106 HydrophobicContact CG1-CE2 4.25Å; V58-F106 HydrophobicContact CG1-CZ 3.58Å; V58-F106 HydrophobicContact CG2-CZ 4.32Å |
| 59 | L | 90.6 | Very high | 89.4 | Confident | 63 Ų | 63 | 63.4 Ų | 63.4 | 33% | 0.33 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 131.1 | 172.1 | -66.6 | 91 | 0 | 0 | 0 | 109.2 | Q63 L64 T96 S97 F98 | L59-Q63 CarbonylContact C-O 3.56Å; L59-Q63 WeakPolarHBondContact CA-O 3.27Å; L59-L64 HydrophobicContact CD1-CD1 4.1Å; L59-L64 HydrophobicContact CG-CD1 4.09Å; L59-T96 PolarHBondContact N-O 3.05Å; L59-S97 CarbonylContact O-C 3.57Å; L59-S97 VanDerWaalsContact O-CA 3.32Å; L59-S97 WeakPolarHBondContact O-CA 3.44Å; L59-F98 PolarHBondContact O-N 3.48Å |
| 60 | V | 91.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 116.6 | 174.2 | -171.9 | 0 | 0 | 0 | 0 | 107.6 | V58 G62 Q63 F65 F98 F101 P103 F106 | V58-V60 HydrophobicContact CG1-CG2 3.98Å; V60-G62 PolarHBondContact O-N 3.04Å; V60-Q63 PolarHBondContact N-O 3.47Å; V60-Q63 WeakPolarHBondContact O-CB 3.35Å; V60-Q63 PolarHBondContact O-N 3.18Å; V60-F65 HydrophobicContact CB-CD2 4.45Å; V60-F65 HydrophobicContact CB-CE2 4.04Å; V60-F65 HydrophobicContact CG2-CD2 4.03Å; V60-F65 HydrophobicContact CG2-CE2 4Å; V60-F98 WeakPolarHBondContact CA-O 3.31Å; V60-F98 HydrophobicContact CG1-CB 4.5Å; V60-F98 HydrophobicContact CG2-CB 4.37Å; V60-F98 HydrophobicContact CG2-CD2 4.34Å; V60-F101 HydrophobicContact CG1-CD2 3.85Å; V60-F101 HydrophobicContact CG1-CE2 3.83Å; V60-F101 WeakPolarHBondContact CG1-O 3.45Å; V60-F101 HydrophobicContact CG2-CE2 4.07Å; V60-P103 HydrophobicContact CG1-CG 4.29Å; V60-F106 HydrophobicContact CG1-CB 4.35Å; V60-F106 HydrophobicContact CG2-CB 3.94Å; V60-F106 HydrophobicContact CG2-CD1 3.69Å; V60-F106 HydrophobicContact CG2-CD2 4.28Å; V60-F106 HydrophobicContact CG2-CE1 4.27Å; V60-F106 HydrophobicContact CG2-CG 3.69Å |
| 61 | E | 86.6 | Confident | 89.3 | Confident | 119 Ų | 119 | 57.3 Ų | 57.3 | 56% | 0.556 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.1 | 31.6 | -176.6 | -57.7 | -174.6 | 167.8 | 0 | 0 | 113.8 | F98 P103 | E61-F98 PolarHBondContact N-O 3.34Å; E61-P103 HydrophobicContact CB-CG 4.07Å; E61-P103 VanDerWaalsContact OE2-CD 3.27Å; E61-P103 WeakPolarHBondContact OE2-CD 3.37Å |
| 62 | G | 82.7 | Confident | 89.4 | Confident | 67 Ų | 67 | 51.9 Ų | 51.9 | 69% | 0.691 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.3 | -12.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | V60 | V60-G62 PolarHBondContact O-N 3.04Š|
| 63 | Q | 89.8 | Confident | 89.6 | Confident | 94 Ų | 94 | 51.5 Ų | 51.5 | 44% | 0.439 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 127.4 | 173.6 | -177 | 169.4 | -26.3 | 0 | 0 | 111.1 | L59 V60 F65 P103 | L59-Q63 CarbonylContact C-O 3.56Å; L59-Q63 WeakPolarHBondContact CA-O 3.27Å; V60-Q63 PolarHBondContact N-O 3.47Å; V60-Q63 WeakPolarHBondContact O-CB 3.35Å; V60-Q63 PolarHBondContact O-N 3.18Å; Q63-F65 HydrophobicContact CB-CE2 4.04Å; Q63-F65 HydrophobicContact CG-CD2 4.41Å; Q63-F65 HydrophobicContact CG-CE2 3.7Å; Q63-F65 HydrophobicContact CG-CZ 3.85Å; Q63-F65 WeakPolarHBondContact O-CD2 3.29Å; Q63-P103 HydrophobicContact CB-CB 4.26Å; Q63-P103 HydrophobicContact CB-CG 4.28Å |
| 64 | L | 90.7 | Very high | 89.7 | Confident | 87 Ų | 87 | 46.8 Ų | 46.8 | 46% | 0.455 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 129.9 | -179.3 | 178.3 | 64.3 | 0 | 0 | 0 | 112.1 | N57 L59 | N57-L64 HydrophobicContact CB-CD1 3.81Å; L59-L64 HydrophobicContact CD1-CD1 4.1Å; L59-L64 HydrophobicContact CG-CD1 4.09Å |
| 65 | F | 92.1 | Very high | 89.8 | Confident | 23 Ų | 23 | 48.2 Ų | 48.2 | 10% | 0.101 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 124.5 | 173.3 | -63.2 | -88.9 | 0 | 0 | 0 | 110 | V58 V60 Q63 P103 F106 T107 L110 | V58-F65 HydrophobicContact CB-CB 4.33Å; V58-F65 PolarHBondContact N-O 3.24Å; V58-F65 PolarHBondContact O-N 3.33Å; V60-F65 HydrophobicContact CB-CD2 4.45Å; V60-F65 HydrophobicContact CB-CE2 4.04Å; V60-F65 HydrophobicContact CG2-CD2 4.03Å; V60-F65 HydrophobicContact CG2-CE2 4Å; Q63-F65 HydrophobicContact CB-CE2 4.04Å; Q63-F65 HydrophobicContact CG-CD2 4.41Å; Q63-F65 HydrophobicContact CG-CE2 3.7Å; Q63-F65 HydrophobicContact CG-CZ 3.85Å; Q63-F65 WeakPolarHBondContact O-CD2 3.29Å; F65-P103 HydrophobicContact CE2-CB 4.28Å; F65-P103 HydrophobicContact CZ-CB 4.15Å; F65-F106 HydrophobicContact CB-CD1 4.4Å; F65-F106 HydrophobicContact CB-CE1 3.9Å; F65-F106 HydrophobicContact CD1-CD1 4.16Å; F65-F106 HydrophobicContact CD1-CE1 4.37Å; F65-F106 AromaticContact CD2-CD1 3.66Å; F65-F106 HydrophobicContact CD2-CD1 3.66Å; F65-F106 AromaticContact CD2-CE1 3.97Å; F65-F106 HydrophobicContact CD2-CE1 3.97Å; F65-F106 HydrophobicContact CE1-CD1 4.34Å; F65-F106 AromaticContact CE2-CD1 3.86Å; F65-F106 HydrophobicContact CE2-CD1 3.86Å; F65-F106 AromaticContact CG-CD1 3.81Å; F65-F106 HydrophobicContact CG-CD1 3.81Å; F65-F106 AromaticContact CG-CE1 3.82Å; F65-F106 HydrophobicContact CG-CE1 3.82Å; F65-F106 HydrophobicContact CZ-CD1 4.18Å; F65-T107 HydrophobicContact CE1-CG2 3.61Å; F65-T107 HydrophobicContact CZ-CG2 3.82Å; F65-L110 HydrophobicContact CB-CD2 4.23Å; F65-L110 HydrophobicContact CD1-CD2 4.01Å; F65-L110 HydrophobicContact CG-CD2 4.46Å |
| 66 | K | 91.4 | Very high | 90.1 | Very high | 69 Ų | 69 | 45.6 Ų | 45.6 | 30% | 0.3 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 138.1 | 173.8 | -63.7 | -173.7 | -170.4 | 156.8 | 0 | 110.5 | E51 C54 | E51-K66 HydrophobicContact CB-CD 4.19Å; E51-K66 HydrophobicContact CG-CD 4.13Å; E51-K66 VanDerWaalsContact OE1-CD 3.29Å; E51-K66 WeakPolarHBondContact OE1-CD 3.42Å; E51-K66 VanDerWaalsContact OE1-CE 3.29Å; E51-K66 WeakPolarHBondContact OE1-CE 3.32Å; E51-K66 IonicContact OE1-NZ 3.71Å; E51-K66 PolarHBondContact OE1-NZ 3.06Å; E51-K66 IonicContact OE2-NZ 2.73Å; E51-K66 PolarHBondContact OE2-NZ 2.7Å; C54-K66 HydrophobicContact CB-CB 3.89Å |
| 67 | A | 92.1 | Very high | 90.1 | Very high | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.008 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 161.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | D55 C56 L72 L110 | D55-A67 PolarHBondContact N-O 3.47Å; C56-A67 WeakPolarHBondContact CB-O 3.29Å; C56-A67 PolarHBondContact N-O 2.83Å; C56-A67 PolarHBondContact O-N 3.48Å; A67-L72 HydrophobicContact CB-CD1 3.81Å; A67-L72 HydrophobicContact CB-CD2 4.47Å; A67-L72 HydrophobicContact CB-CG 4.11Å; A67-L110 HydrophobicContact CB-CD1 4.4Å |
| 68 | H | 91.2 | Very high | 90.1 | Very high | 14 Ų | 14 | 47.1 Ų | 47.1 | 7% | 0.065 | 27% | 0.273 | C | S | . | . | trans | -77.8 | 120.7 | 167.6 | -48.4 | 90.1 | 0 | 0 | 0 | 110.3 | L44 L52 F53 D55 N70 V71 L72 Y114 | L44-H68 PolarHBondContact O-CE1 3.47Å; L52-H68 PolarHBondContact O-NE2 2.78Å; F53-H68 PolarHBondContact O-CD2 2.83Å; F53-H68 VanDerWaalsContact O-CD2 3.32Å; D55-H68 WeakPolarHBondContact OD1-CA 3.39Å; H68-N70 VanDerWaalsContact C-N 3.27Å; H68-N70 PolarHBondContact O-N 3.3Å; H68-V71 HydrophobicContact CB-CB 4.33Å; H68-V71 HydrophobicContact CB-CG2 3.88Å; H68-V71 PolarHBondContact O-N 2.86Å; H68-V71 VanDerWaalsContact O-N 3.1Å; H68-L72 PolarHBondContact O-N 3.17Å; H68-Y114 WeakPolarHBondContact CB-OH 3.47Å; H68-Y114 PolarHBondContact N-OH 3.41Å; H68-Y114 AromaticContact ND1-CE1 3.5Å; H68-Y114 WeakPolarHBondContact ND1-CE1 3.35Å; H68-Y114 AromaticContact ND1-CZ 3.66Å; H68-Y114 PolarHBondContact ND1-OH 3.39Å | ||
| 69 | R | 88.7 | Confident | 90.1 | Very high | 54 Ų | 54 | 47.1 Ų | 47.1 | 20% | 0.204 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -50.6 | -44.7 | 176.2 | -177.4 | -174.5 | 178.4 | 156.1 | 1.1 | 112.5 | D55 C56 V71 L72 F73 L83 G86 | D55-R69 VanDerWaalsContact CG-CB 3.41Å; D55-R69 VanDerWaalsContact OD1-CB 3.22Å; D55-R69 WeakPolarHBondContact OD1-CB 3.06Å; D55-R69 PolarHBondContact OD1-N 2.97Å; D55-R69 WeakPolarHBondContact OD2-CB 3.5Å; D55-R69 WeakPolarHBondContact OD2-CD 3.42Å; C56-R69 HydrophobicContact CB-CB 4.12Å; R69-V71 VanDerWaalsContact C-N 3.29Å; R69-V71 PolarHBondContact O-N 2.95Å; R69-L72 PolarHBondContact O-N 2.86Å; R69-F73 WeakPolarHBondContact O-CB 3.32Å; R69-F73 PolarHBondContact O-N 2.8Å; R69-L83 HydrophobicContact CG-CB 4.12Å; R69-L83 HydrophobicContact CG-CD1 3.99Å; R69-L83 HydrophobicContact CG-CD2 4.36Å; R69-L83 HydrophobicContact CG-CG 4.37Å; R69-L83 PolarHBondContact NE-O 2.89Å; R69-L83 PolarHBondContact NH2-O 3.09Å; R69-G86 VanDerWaalsContact CZ-O 3.22Å; R69-G86 PolarHBondContact NH1-O 2.77Å; R69-G86 PolarHBondContact NH2-O 3.25Å |
| 70 | N | 88.7 | Confident | 90 | Very high | 124 Ų | 124 | 48.7 Ų | 48.7 | 66% | 0.663 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -61.7 | -35.5 | -178.6 | -71.5 | -37.7 | 0 | 0 | 0 | 112.8 | H68 G74 | H68-N70 VanDerWaalsContact C-N 3.27Å; H68-N70 PolarHBondContact O-N 3.3Å; N70-G74 PolarHBondContact O-N 2.8Å; N70-G74 VanDerWaalsContact O-N 3.13Å |
| 71 | V | 91 | Very high | 89.8 | Confident | 20 Ų | 20 | 52.6 Ų | 52.6 | 12% | 0.121 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -74.4 | -45.2 | 179.6 | -177.6 | 0 | 0 | 0 | 0 | 110 | L44 H68 R69 G74 S75 I113 Y114 | L44-V71 HydrophobicContact CD1-CG2 4.11Å; H68-V71 HydrophobicContact CB-CB 4.33Å; H68-V71 HydrophobicContact CB-CG2 3.88Å; H68-V71 PolarHBondContact O-N 2.86Å; H68-V71 VanDerWaalsContact O-N 3.1Å; R69-V71 VanDerWaalsContact C-N 3.29Å; R69-V71 PolarHBondContact O-N 2.95Å; V71-G74 PolarHBondContact O-N 3.09Å; V71-S75 WeakPolarHBondContact O-CB 3.39Å; V71-S75 PolarHBondContact O-N 3.47Å; V71-S75 VanDerWaalsContact O-N 3.1Å; V71-S75 PolarHBondContact O-OG 3.36Å; V71-I113 HydrophobicContact CG1-CG2 3.54Å; V71-Y114 HydrophobicContact CB-CE1 4.38Å; V71-Y114 HydrophobicContact CB-CE2 4.46Å; V71-Y114 HydrophobicContact CG1-CD2 4.44Å; V71-Y114 HydrophobicContact CG1-CE1 4.1Å; V71-Y114 HydrophobicContact CG1-CE2 3.96Å; V71-Y114 HydrophobicContact CG2-CE1 4.21Å |
| 72 | L | 91.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.3 | -43.8 | 174.7 | -64 | -176.5 | 0 | 0 | 0 | 112.4 | V58 A67 H68 R69 G74 S75 S76 F79 L83 L110 I113 | V58-L72 HydrophobicContact CG2-CD1 3.92Å; A67-L72 HydrophobicContact CB-CD1 3.81Å; A67-L72 HydrophobicContact CB-CD2 4.47Å; A67-L72 HydrophobicContact CB-CG 4.11Å; H68-L72 PolarHBondContact O-N 3.17Å; R69-L72 PolarHBondContact O-N 2.86Å; L72-G74 VanDerWaalsContact C-N 3.28Å; L72-G74 PolarHBondContact O-N 3.3Å; L72-S75 PolarHBondContact O-N 3.43Å; L72-S76 PolarHBondContact O-N 3.02Å; L72-F79 HydrophobicContact CB-CB 4.05Å; L72-F79 HydrophobicContact CB-CD1 4.44Å; L72-F79 HydrophobicContact CB-CD2 4.03Å; L72-F79 HydrophobicContact CB-CG 3.94Å; L72-F79 HydrophobicContact CD1-CD1 4.32Å; L72-F79 HydrophobicContact CD1-CE1 4.2Å; L72-F79 HydrophobicContact CD1-CE2 4.47Å; L72-F79 HydrophobicContact CD1-CZ 4.29Å; L72-F79 HydrophobicContact CD2-CD2 4.18Å; L72-F79 HydrophobicContact CD2-CE2 4.07Å; L72-F79 HydrophobicContact CG-CD2 4.49Å; L72-F79 WeakPolarHBondContact O-CB 3.38Å; L72-L83 HydrophobicContact CB-CD1 3.94Å; L72-L110 HydrophobicContact CD2-CD1 4.01Å; L72-I113 HydrophobicContact CD2-CD1 4.09Å; L72-I113 HydrophobicContact CD2-CG2 4.45Å |
| 73 | F | 91.1 | Very high | 89.7 | Confident | 71 Ų | 71 | 46.4 Ų | 46.4 | 31% | 0.311 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.1 | -32 | 177.7 | -177.9 | -84.7 | 0 | 0 | 0 | 113 | R69 R80 L83 | R69-F73 WeakPolarHBondContact O-CB 3.32Å; R69-F73 PolarHBondContact O-N 2.8Å; F73-R80 HydrophobicContact CD1-CG 3.86Å; F73-R80 HydrophobicContact CD2-CB 4.24Å; F73-R80 HydrophobicContact CD2-CG 3.65Å; F73-R80 HydrophobicContact CE1-CG 3.67Å; F73-R80 HydrophobicContact CE2-CB 4.38Å; F73-R80 HydrophobicContact CE2-CG 3.45Å; F73-R80 VanDerWaalsContact CE2-CG 3.45Å; F73-R80 HydrophobicContact CG-CB 4.48Å; F73-R80 HydrophobicContact CG-CG 3.84Å; F73-R80 HydrophobicContact CZ-CG 3.47Å; F73-R80 VanDerWaalsContact CZ-CG 3.47Å; F73-R80 WeakPolarHBondContact O-CG 3.38Å; F73-L83 HydrophobicContact CD2-CB 4.18Å |
| 74 | G | 88.8 | Confident | 89.1 | Confident | 65 Ų | 65 | 44.8 Ų | 44.8 | 67% | 0.67 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -77 | -37.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | N70 V71 L72 | N70-G74 PolarHBondContact O-N 2.8Å; N70-G74 VanDerWaalsContact O-N 3.13Å; V71-G74 PolarHBondContact O-N 3.09Å; L72-G74 VanDerWaalsContact C-N 3.28Å; L72-G74 PolarHBondContact O-N 3.3Å |
| 75 | S | 90.7 | Very high | 87.8 | Confident | 52 Ų | 52 | 46 Ų | 46 | 36% | 0.364 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -90.6 | -15.7 | -169 | -62.6 | 0 | 0 | 0 | 0 | 115.6 | V71 L72 | V71-S75 WeakPolarHBondContact O-CB 3.39Å; V71-S75 PolarHBondContact O-N 3.47Å; V71-S75 VanDerWaalsContact O-N 3.1Å; V71-S75 PolarHBondContact O-OG 3.36Å; L72-S75 PolarHBondContact O-N 3.43Å |
| 76 | S | 92.4 | Very high | 85.9 | Confident | 3 Ų | 3 | 46.5 Ų | 46.5 | 2% | 0.021 | 26% | 0.262 | C | S | . | . | trans | -139.3 | 129.8 | -174.6 | 158.9 | 0 | 0 | 0 | 0 | 111.9 | L72 Y78 F79 R80 L135 | L72-S76 PolarHBondContact O-N 3.02Å; S76-Y78 PolarHBondContact O-N 3.47Å; S76-Y78 PolarHBondContact OG-N 3.01Å; S76-F79 PolarHBondContact O-N 3.37Å; S76-F79 PolarHBondContact OG-N 2.66Å; S76-R80 WeakPolarHBondContact O-CB 3.5Å; S76-R80 PolarHBondContact O-N 2.68Å; S76-L135 WeakPolarHBondContact CB-O 3.45Å; S76-L135 PolarHBondContact OG-O 3.24Å | ||
| 77 | G | 88.9 | Confident | 83.8 | Confident | 28 Ų | 28 | 47 Ų | 47 | 29% | 0.289 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62.3 | -33.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | R80 M81 | G77-R80 WeakPolarHBondContact O-CB 3.22Å; G77-R80 PolarHBondContact O-N 2.97Å; G77-M81 PolarHBondContact O-N 3.49Å |
| 78 | Y | 91.1 | Very high | 81.7 | Confident | 35 Ų | 35 | 54 Ų | 54 | 14% | 0.137 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -72.1 | -48.8 | 177.7 | -176.5 | -82 | 0 | 0 | 0 | 112.3 | S76 R80 M81 L82 F98 Y134 L135 | S76-Y78 PolarHBondContact O-N 3.47Å; S76-Y78 PolarHBondContact OG-N 3.01Å; Y78-R80 PolarHBondContact O-N 2.89Å; Y78-M81 HydrophobicContact CD2-CE 3.96Å; Y78-M81 HydrophobicContact CE2-CE 3.84Å; Y78-M81 WeakPolarHBondContact O-CA 3.32Å; Y78-M81 WeakPolarHBondContact O-CB 3.49Å; Y78-M81 PolarHBondContact O-N 2.85Å; Y78-L82 HydrophobicContact CD1-CD1 4.27Å; Y78-L82 HydrophobicContact CD1-CG 4.28Å; Y78-L82 HydrophobicContact CE1-CD1 3.44Å; Y78-L82 VanDerWaalsContact CE1-CD1 3.44Å; Y78-L82 HydrophobicContact CE1-CD2 4.35Å; Y78-L82 HydrophobicContact CE1-CG 3.7Å; Y78-L82 PolarHBondContact O-N 3.37Å; Y78-F98 HydrophobicContact CD1-CE1 4.39Å; Y78-F98 HydrophobicContact CD1-CZ 4.46Å; Y78-F98 AromaticContact CE1-CE1 3.51Å; Y78-F98 HydrophobicContact CE1-CE1 3.51Å; Y78-F98 AromaticContact CE1-CZ 3.8Å; Y78-F98 HydrophobicContact CE1-CZ 3.8Å; Y78-Y134 HydrophobicContact CD1-CE1 4.47Å; Y78-Y134 HydrophobicContact CD2-CE1 4.28Å; Y78-Y134 HydrophobicContact CE1-CE1 4.03Å; Y78-Y134 AromaticContact CE2-CE1 3.79Å; Y78-Y134 HydrophobicContact CE2-CE1 3.79Å; Y78-Y134 AromaticContact CE2-CZ 3.94Å; Y78-Y134 AromaticContact CZ-CE1 3.66Å; Y78-Y134 AromaticContact CZ-CZ 3.94Å; Y78-Y134 PolarHBondContact OH-OH 2.76Å; Y78-Y134 VanDerWaalsContact OH-OH 3.09Å; Y78-L135 HydrophobicContact CD1-CD2 3.93Å; Y78-L135 HydrophobicContact CG-CD2 4.4Å; Y78-L135 PolarHBondContact N-O 3.38Å |
| 79 | F | 90.3 | Very high | 79.9 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -61.1 | -34.1 | 173.1 | -79.2 | -57.2 | 0 | 0 | 0 | 111.3 | V58 L72 S76 M81 L82 L83 F98 F106 L135 | V58-F79 HydrophobicContact CG2-CE1 4.02Å; V58-F79 HydrophobicContact CG2-CZ 4.2Å; L72-F79 HydrophobicContact CB-CB 4.05Å; L72-F79 HydrophobicContact CB-CD1 4.44Å; L72-F79 HydrophobicContact CB-CD2 4.03Å; L72-F79 HydrophobicContact CB-CG 3.94Å; L72-F79 HydrophobicContact CD1-CD1 4.32Å; L72-F79 HydrophobicContact CD1-CE1 4.2Å; L72-F79 HydrophobicContact CD1-CE2 4.47Å; L72-F79 HydrophobicContact CD1-CZ 4.29Å; L72-F79 HydrophobicContact CD2-CD2 4.18Å; L72-F79 HydrophobicContact CD2-CE2 4.07Å; L72-F79 HydrophobicContact CG-CD2 4.49Å; L72-F79 WeakPolarHBondContact O-CB 3.38Å; S76-F79 PolarHBondContact O-N 3.37Å; S76-F79 PolarHBondContact OG-N 2.66Å; F79-M81 PolarHBondContact O-N 2.76Å; F79-L82 PolarHBondContact O-N 2.79Å; F79-L83 HydrophobicContact CB-CD1 4.06Å; F79-L83 HydrophobicContact CD1-CD1 4.3Å; F79-L83 WeakPolarHBondContact O-CB 3.25Å; F79-L83 VanDerWaalsContact O-CG 3.25Å; F79-L83 WeakPolarHBondContact O-CG 3.39Å; F79-L83 PolarHBondContact O-N 3.45Å; F79-F98 AromaticContact CE1-CE2 3.78Å; F79-F98 HydrophobicContact CE1-CE2 3.78Å; F79-F98 AromaticContact CE1-CZ 3.8Å; F79-F98 HydrophobicContact CE1-CZ 3.8Å; F79-F98 AromaticContact CZ-CE2 3.96Å; F79-F98 HydrophobicContact CZ-CE2 3.96Å; F79-F98 HydrophobicContact CZ-CZ 4.17Å; F79-F106 HydrophobicContact CE2-CE2 4.16Å; F79-F106 AromaticContact CZ-CE2 3.9Å; F79-F106 HydrophobicContact CZ-CE2 3.9Å; F79-F106 HydrophobicContact CZ-CZ 4.07Å; F79-L135 HydrophobicContact CD2-CD2 4.27Å; F79-L135 HydrophobicContact CE2-CD1 4.31Å; F79-L135 HydrophobicContact CE2-CD2 3.85Å; F79-L135 HydrophobicContact CZ-CD2 4.14Å |
| 80 | R | 88.3 | Confident | 78 | Confident | 97 Ų | 97 | 65.6 Ų | 65.6 | 37% | 0.366 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -62.2 | -28.1 | 172.9 | -150.5 | 177 | 79.3 | 91.2 | 3.9 | 113.8 | F73 S76 G77 Y78 S84 T322 | F73-R80 HydrophobicContact CD1-CG 3.86Å; F73-R80 HydrophobicContact CD2-CB 4.24Å; F73-R80 HydrophobicContact CD2-CG 3.65Å; F73-R80 HydrophobicContact CE1-CG 3.67Å; F73-R80 HydrophobicContact CE2-CB 4.38Å; F73-R80 HydrophobicContact CE2-CG 3.45Å; F73-R80 VanDerWaalsContact CE2-CG 3.45Å; F73-R80 HydrophobicContact CG-CB 4.48Å; F73-R80 HydrophobicContact CG-CG 3.84Å; F73-R80 HydrophobicContact CZ-CG 3.47Å; F73-R80 VanDerWaalsContact CZ-CG 3.47Å; F73-R80 WeakPolarHBondContact O-CG 3.38Å; S76-R80 WeakPolarHBondContact O-CB 3.5Å; S76-R80 PolarHBondContact O-N 2.68Å; G77-R80 WeakPolarHBondContact O-CB 3.22Å; G77-R80 PolarHBondContact O-N 2.97Å; Y78-R80 PolarHBondContact O-N 2.89Å; R80-S84 WeakPolarHBondContact O-CB 3.22Å; R80-S84 PolarHBondContact O-OG 3.1Å; R80-T322 VanDerWaalsContact NH2-CG2 3.3Å; R80-T322 PolarHBondContact NH2-OG1 3.41Å |
| 81 | M | 87.7 | Confident | 76.4 | Confident | 81 Ų | 81 | 64.8 Ų | 64.8 | 40% | 0.399 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -80.8 | -43 | 176 | 178.4 | -171.2 | 71.7 | 0 | 0 | 112.4 | G77 Y78 F79 S84 H85 | G77-M81 PolarHBondContact O-N 3.49Å; Y78-M81 HydrophobicContact CD2-CE 3.96Å; Y78-M81 HydrophobicContact CE2-CE 3.84Å; Y78-M81 WeakPolarHBondContact O-CA 3.32Å; Y78-M81 WeakPolarHBondContact O-CB 3.49Å; Y78-M81 PolarHBondContact O-N 2.85Å; F79-M81 PolarHBondContact O-N 2.76Å; M81-S84 PolarHBondContact O-OG 3.15Å; M81-S84 VanDerWaalsContact O-OG 3.06Å; M81-H85 PolarHBondContact O-CE1 3.23Å; M81-H85 PolarHBondContact O-ND1 3.47Å |
| 82 | L | 84.3 | Confident | 74.9 | Confident | 55 Ų | 55 | 71.1 Ų | 71.1 | 29% | 0.288 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -66.8 | -55 | 175.4 | -67 | -167.7 | 0 | 0 | 0 | 110.9 | Y78 F79 S84 H85 T96 F98 | Y78-L82 HydrophobicContact CD1-CD1 4.27Å; Y78-L82 HydrophobicContact CD1-CG 4.28Å; Y78-L82 HydrophobicContact CE1-CD1 3.44Å; Y78-L82 VanDerWaalsContact CE1-CD1 3.44Å; Y78-L82 HydrophobicContact CE1-CD2 4.35Å; Y78-L82 HydrophobicContact CE1-CG 3.7Å; Y78-L82 PolarHBondContact O-N 3.37Å; F79-L82 PolarHBondContact O-N 2.79Å; L82-S84 PolarHBondContact O-N 3.08Å; L82-S84 VanDerWaalsContact O-N 3.09Å; L82-H85 PolarHBondContact O-N 2.96Å; L82-H85 VanDerWaalsContact O-N 3.16Å; L82-T96 HydrophobicContact CB-CG2 4.44Å; L82-T96 HydrophobicContact CD1-CG2 3.74Å; L82-F98 HydrophobicContact CD1-CZ 4.12Å |
| 83 | L | 82.7 | Confident | 73.6 | Confident | 1 Ų | 1 | 73.3 Ų | 73.3 | 1% | 0.005 | 44% | 0.436 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | 0.2 | -170.7 | -54.9 | 172.4 | 0 | 0 | 0 | 113.4 | R69 L72 F73 F79 V94 | R69-L83 HydrophobicContact CG-CB 4.12Å; R69-L83 HydrophobicContact CG-CD1 3.99Å; R69-L83 HydrophobicContact CG-CD2 4.36Å; R69-L83 HydrophobicContact CG-CG 4.37Å; R69-L83 PolarHBondContact NE-O 2.89Å; R69-L83 PolarHBondContact NH2-O 3.09Å; L72-L83 HydrophobicContact CB-CD1 3.94Å; F73-L83 HydrophobicContact CD2-CB 4.18Å; F79-L83 HydrophobicContact CB-CD1 4.06Å; F79-L83 HydrophobicContact CD1-CD1 4.3Å; F79-L83 WeakPolarHBondContact O-CB 3.25Å; F79-L83 VanDerWaalsContact O-CG 3.25Å; F79-L83 WeakPolarHBondContact O-CG 3.39Å; F79-L83 PolarHBondContact O-N 3.45Å; L83-V94 HydrophobicContact CD2-CB 4.32Å; L83-V94 HydrophobicContact CD2-CG1 3.73Å |
| 84 | S | 78.6 | Confident | 72.8 | Confident | 60 Ų | 60 | 71.5 Ų | 71.5 | 42% | 0.42 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -9.1 | 168.5 | 67.6 | 0 | 0 | 0 | 0 | 114.3 | R80 M81 L82 | R80-S84 WeakPolarHBondContact O-CB 3.22Å; R80-S84 PolarHBondContact O-OG 3.1Å; M81-S84 PolarHBondContact O-OG 3.15Å; M81-S84 VanDerWaalsContact O-OG 3.06Å; L82-S84 PolarHBondContact O-N 3.08Å; L82-S84 VanDerWaalsContact O-N 3.09Å |
| 85 | H | 61.8 | Low | 72.1 | Confident | 114 Ų | 114 | 72.5 Ų | 72.5 | 53% | 0.528 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104 | -27.5 | -172.9 | -68.4 | 92.9 | 0 | 0 | 0 | 114.6 | M81 L82 A87 | M81-H85 PolarHBondContact O-CE1 3.23Å; M81-H85 PolarHBondContact O-ND1 3.47Å; L82-H85 PolarHBondContact O-N 2.96Å; L82-H85 VanDerWaalsContact O-N 3.16Å; H85-A87 PolarHBondContact O-N 2.67Å |
| 86 | G | 53.1 | Low | 71.7 | Confident | 33 Ų | 33 | 70.9 Ų | 70.9 | 34% | 0.34 | 42% | 0.415 | S | S | . | . | trans | -85.4 | 80.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | R69 | R69-G86 VanDerWaalsContact CZ-O 3.22Å; R69-G86 PolarHBondContact NH1-O 2.77Å; R69-G86 PolarHBondContact NH2-O 3.25Å | ||
| 87 | A | 47.5 | Very low | 71.3 | Confident | 80 Ų | 80 | 75 Ų | 75 | 66% | 0.661 | 44% | 0.444 | S | S | * | . | trans | -135.4 | 25.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | H85 | H85-A87 PolarHBondContact O-N 2.67Š| ||
| 88 | D | 48.2 | Very low | 71.1 | Confident | 146 Ų | 146 | 73.9 Ų | 73.9 | 78% | 0.781 | 43% | 0.431 | S | S | * | . | S | Bend | trans | -80.1 | 145.2 | 163.2 | -60.5 | -50.6 | 0 | 0 | 0 | 109.3 | N90 | D88-N90 PolarHBondContact O-N 3.21Š|
| 89 | D | 51.8 | Low | 70.7 | Confident | 174 Ų | 174 | 80.3 Ų | 80.3 | 93% | 0.93 | 46% | 0.462 | S | S | * | . | S | Bend | trans | -73.3 | 39 | -165.2 | -68.3 | -61.7 | 0 | 0 | 0 | 116 | ||
| 90 | N | 50.3 | Low | 70.4 | Confident | 139 Ų | 139 | 84.5 Ų | 84.5 | 74% | 0.743 | 49% | 0.488 | S | S | * | . | trans | -90.9 | 131.6 | 168.8 | -87.1 | -16 | 0 | 0 | 0 | 110.9 | D88 E92 | D88-N90 PolarHBondContact O-N 3.21Å; N90-E92 PolarHBondContact O-N 3.3Å | ||
| 91 | A | 55.5 | Low | 70.4 | Confident | 107 Ų | 107 | 80.5 Ų | 80.5 | 88% | 0.884 | 47% | 0.473 | S | S | * | . | trans | -76.5 | 19 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 92 | E | 58.8 | Low | 70.6 | Confident | 152 Ų | 152 | 77.9 Ų | 77.9 | 71% | 0.71 | 46% | 0.462 | S | S | * | . | S | Bend | trans | -87.5 | 135.7 | -179.5 | -69.3 | -61.4 | 144.3 | 0 | 0 | 110.9 | N90 V94 | N90-E92 PolarHBondContact O-N 3.3Å; E92-V94 PolarHBondContact O-N 3.37Å |
| 93 | P | 63.8 | Low | 71 | Confident | 46 Ų | 46 | 76 Ų | 76 | 30% | 0.299 | 45% | 0.454 | S | S | . | . | trans | -64 | 131.5 | 179.6 | 26.3 | -34.7 | 0 | 0 | 0 | 111.2 | D55 N57 S95 | D55-P93 WeakPolarHBondContact O-CA 3.38Å; N57-P93 VanDerWaalsContact ND2-CG 3.28Å; N57-P93 WeakPolarHBondContact ND2-CG 3.43Å; P93-S95 PolarHBondContact O-N 2.88Å | ||
| 94 | V | 73.8 | Confident | 71.4 | Confident | 34 Ų | 34 | 81.5 Ų | 81.5 | 21% | 0.206 | 48% | 0.483 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 109.6 | -173 | -179.3 | 0 | 0 | 0 | 0 | 109.9 | D55 C56 N57 L83 E92 | D55-V94 PolarHBondContact O-N 2.96Å; C56-V94 WeakPolarHBondContact CA-O 3.47Å; C56-V94 PolarHBondContact SG-O 2.87Å; N57-V94 PolarHBondContact N-O 3.39Å; L83-V94 HydrophobicContact CD2-CB 4.32Å; L83-V94 HydrophobicContact CD2-CG1 3.73Å; E92-V94 PolarHBondContact O-N 3.37Å |
| 95 | S | 75.7 | Confident | 72.1 | Confident | 86 Ų | 86 | 79 Ų | 79 | 60% | 0.601 | 47% | 0.465 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89 | 138.4 | -179.4 | 55 | 0 | 0 | 0 | 0 | 112.4 | N57 P93 | N57-S95 CarbonylContact O-C 3.48Å; N57-S95 VanDerWaalsContact O-CA 3.29Å; N57-S95 WeakPolarHBondContact O-CA 3.38Å; P93-S95 PolarHBondContact O-N 2.88Å |
| 96 | T | 80.4 | Confident | 73.6 | Confident | 18 Ų | 18 | 73.6 Ų | 73.6 | 11% | 0.11 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 146.8 | 175.8 | 55.8 | 0 | 0 | 0 | 0 | 109.1 | N57 V58 L59 L82 | N57-T96 PolarHBondContact O-N 2.96Å; N57-T96 PolarHBondContact O-OG1 3.13Å; V58-T96 WeakPolarHBondContact CA-O 3.42Å; L59-T96 PolarHBondContact N-O 3.05Å; L82-T96 HydrophobicContact CB-CG2 4.44Å; L82-T96 HydrophobicContact CD1-CG2 3.74Å |
| 97 | S | 84.6 | Confident | 75.5 | Confident | 89 Ų | 89 | 74.2 Ų | 74.2 | 62% | 0.622 | 44% | 0.437 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 144.6 | -175.9 | 55.8 | 0 | 0 | 0 | 0 | 113 | L59 | L59-S97 CarbonylContact O-C 3.57Å; L59-S97 VanDerWaalsContact O-CA 3.32Å; L59-S97 WeakPolarHBondContact O-CA 3.44Å |
| 98 | F | 85.5 | Confident | 77.7 | Confident | 5 Ų | 5 | 71.9 Ų | 71.9 | 2% | 0.022 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 136.8 | -178.1 | -60.4 | -71.7 | 0 | 0 | 0 | 111.9 | V58 L59 V60 E61 Y78 F79 L82 F101 Y134 | V58-F98 HydrophobicContact CG1-CD2 3.6Å; V58-F98 HydrophobicContact CG1-CE2 3.59Å; L59-F98 PolarHBondContact O-N 3.48Å; V60-F98 WeakPolarHBondContact CA-O 3.31Å; V60-F98 HydrophobicContact CG1-CB 4.5Å; V60-F98 HydrophobicContact CG2-CB 4.37Å; V60-F98 HydrophobicContact CG2-CD2 4.34Å; E61-F98 PolarHBondContact N-O 3.34Å; Y78-F98 HydrophobicContact CD1-CE1 4.39Å; Y78-F98 HydrophobicContact CD1-CZ 4.46Å; Y78-F98 AromaticContact CE1-CE1 3.51Å; Y78-F98 HydrophobicContact CE1-CE1 3.51Å; Y78-F98 AromaticContact CE1-CZ 3.8Å; Y78-F98 HydrophobicContact CE1-CZ 3.8Å; F79-F98 AromaticContact CE1-CE2 3.78Å; F79-F98 HydrophobicContact CE1-CE2 3.78Å; F79-F98 AromaticContact CE1-CZ 3.8Å; F79-F98 HydrophobicContact CE1-CZ 3.8Å; F79-F98 AromaticContact CZ-CE2 3.96Å; F79-F98 HydrophobicContact CZ-CE2 3.96Å; F79-F98 HydrophobicContact CZ-CZ 4.17Å; L82-F98 HydrophobicContact CD1-CZ 4.12Å; F98-F101 HydrophobicContact CB-CE1 4.39Å; F98-F101 HydrophobicContact CB-CE2 4.08Å; F98-F101 HydrophobicContact CB-CZ 3.79Å; F98-F101 HydrophobicContact CD1-CE1 4.31Å; F98-F101 HydrophobicContact CD1-CZ 4.03Å; F98-F101 HydrophobicContact CD2-CZ 4.16Å; F98-F101 HydrophobicContact CG-CE1 4.37Å; F98-F101 HydrophobicContact CG-CE2 4.36Å; F98-F101 AromaticContact CG-CZ 3.7Å; F98-F101 HydrophobicContact CG-CZ 3.7Å; F98-Y134 AromaticContact CD1-CE1 3.91Å; F98-Y134 HydrophobicContact CD1-CE1 3.91Å; F98-Y134 AromaticContact CE1-CE1 3.83Å; F98-Y134 HydrophobicContact CE1-CE1 3.83Å |
| 99 | E | 83.3 | Confident | 79.9 | Confident | 170 Ų | 170 | 64.9 Ų | 64.9 | 79% | 0.794 | 38% | 0.378 | S | S | * | . | trans | -132.4 | 24 | 179 | -60.2 | 176.6 | 177.2 | 0 | 0 | 110.3 | ||||
| 100 | V | 82.9 | Confident | 81.8 | Confident | 87 Ų | 87 | 56.7 Ų | 56.7 | 53% | 0.527 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -112 | -14.1 | -167.8 | -172.9 | 0 | 0 | 0 | 0 | 112.5 | Y134 | V100-Y134 HydrophobicContact CB-CE2 4.37Å; V100-Y134 HydrophobicContact CG1-CD2 3.84Å; V100-Y134 HydrophobicContact CG1-CE2 4.01Å; V100-Y134 HydrophobicContact CG1-CG 4.4Å; V100-Y134 HydrophobicContact CG2-CE2 3.99Å |
| 101 | F | 88.7 | Confident | 83.8 | Confident | 13 Ų | 13 | 52.3 Ų | 52.3 | 6% | 0.057 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -155.4 | 153.3 | -178.8 | 46 | -103.3 | 0 | 0 | 0 | 109.9 | V60 F98 T105 F106 A131 Y134 L135 | V60-F101 HydrophobicContact CG1-CD2 3.85Å; V60-F101 HydrophobicContact CG1-CE2 3.83Å; V60-F101 WeakPolarHBondContact CG1-O 3.45Å; V60-F101 HydrophobicContact CG2-CE2 4.07Å; F98-F101 HydrophobicContact CB-CE1 4.39Å; F98-F101 HydrophobicContact CB-CE2 4.08Å; F98-F101 HydrophobicContact CB-CZ 3.79Å; F98-F101 HydrophobicContact CD1-CE1 4.31Å; F98-F101 HydrophobicContact CD1-CZ 4.03Å; F98-F101 HydrophobicContact CD2-CZ 4.16Å; F98-F101 HydrophobicContact CG-CE1 4.37Å; F98-F101 HydrophobicContact CG-CE2 4.36Å; F98-F101 AromaticContact CG-CZ 3.7Å; F98-F101 HydrophobicContact CG-CZ 3.7Å; F101-T105 HydrophobicContact CB-CG2 4.31Å; F101-F106 HydrophobicContact CD2-CB 4.09Å; F101-F106 HydrophobicContact CE2-CB 3.87Å; F101-F106 AromaticContact CE2-CD2 3.63Å; F101-F106 HydrophobicContact CE2-CD2 3.63Å; F101-F106 HydrophobicContact CE2-CG 4.04Å; F101-F106 HydrophobicContact CZ-CD2 4.14Å; F101-A131 HydrophobicContact CB-CB 3.91Å; F101-A131 HydrophobicContact CD1-CB 3.79Å; F101-A131 HydrophobicContact CG-CB 3.85Å; F101-Y134 AromaticContact CE1-CD1 3.91Å; F101-Y134 HydrophobicContact CE1-CD1 3.91Å; F101-Y134 HydrophobicContact CE1-CE1 4.34Å; F101-L135 HydrophobicContact CE1-CG 4.49Å; F101-L135 HydrophobicContact CZ-CD1 4.44Å |
| 102 | S | 90.6 | Very high | 85.5 | Confident | 26 Ų | 26 | 49.4 Ų | 49.4 | 18% | 0.182 | 28% | 0.278 | C | S | . | . | trans | -63.6 | 149.3 | -178.4 | 52.6 | 0 | 0 | 0 | 0 | 112.7 | D104 T105 F106 E127 | S102-D104 PolarHBondContact O-N 3.16Å; S102-T105 PolarHBondContact O-N 3.12Å; S102-T105 VanDerWaalsContact O-N 3.17Å; S102-T105 VanDerWaalsContact OG-CB 3.32Å; S102-T105 WeakPolarHBondContact OG-CB 3.49Å; S102-T105 PolarHBondContact OG-N 3.39Å; S102-T105 PolarHBondContact OG-OG1 3.04Å; S102-T105 VanDerWaalsContact OG-OG1 3.1Å; S102-F106 PolarHBondContact O-N 3.32Å; S102-E127 PolarHBondContact OG-OE2 3.39Å | ||
| 103 | P | 92.6 | Very high | 87.1 | Confident | 17 Ų | 17 | 42.5 Ų | 42.5 | 11% | 0.11 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -55.1 | -37.7 | 172.7 | -26.8 | 34.2 | 0 | 0 | 0 | 112.5 | V60 E61 Q63 F65 F106 T107 | V60-P103 HydrophobicContact CG1-CG 4.29Å; E61-P103 HydrophobicContact CB-CG 4.07Å; E61-P103 VanDerWaalsContact OE2-CD 3.27Å; E61-P103 WeakPolarHBondContact OE2-CD 3.37Å; Q63-P103 HydrophobicContact CB-CB 4.26Å; Q63-P103 HydrophobicContact CB-CG 4.28Å; F65-P103 HydrophobicContact CE2-CB 4.28Å; F65-P103 HydrophobicContact CZ-CB 4.15Å; P103-F106 CarbonylContact O-C 3.59Å; P103-F106 WeakPolarHBondContact O-CB 3.43Å; P103-F106 PolarHBondContact O-N 2.97Å; P103-F106 VanDerWaalsContact O-N 3.16Å; P103-T107 WeakPolarHBondContact O-CG2 3.24Å; P103-T107 PolarHBondContact O-N 2.84Å |
| 104 | D | 91.9 | Very high | 88.4 | Confident | 116 Ų | 116 | 40.3 Ų | 40.3 | 62% | 0.62 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -61.3 | -47.6 | 176.7 | -66.3 | -32.3 | 0 | 0 | 0 | 111.6 | S102 F106 T107 V108 | S102-D104 PolarHBondContact O-N 3.16Å; D104-F106 VanDerWaalsContact C-N 3.27Å; D104-F106 PolarHBondContact O-N 2.99Å; D104-T107 WeakPolarHBondContact O-CB 3.25Å; D104-T107 PolarHBondContact O-N 2.68Å; D104-T107 PolarHBondContact O-OG1 2.85Å; D104-V108 PolarHBondContact O-N 3Å |
| 105 | T | 93.5 | Very high | 89 | Confident | 6 Ų | 6 | 41.3 Ų | 41.3 | 4% | 0.037 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60 | -37.7 | 173.6 | -75.1 | 0 | 0 | 0 | 0 | 111.7 | F101 S102 V108 I109 E127 V128 A131 | F101-T105 HydrophobicContact CB-CG2 4.31Å; S102-T105 PolarHBondContact O-N 3.12Å; S102-T105 VanDerWaalsContact O-N 3.17Å; S102-T105 VanDerWaalsContact OG-CB 3.32Å; S102-T105 WeakPolarHBondContact OG-CB 3.49Å; S102-T105 PolarHBondContact OG-N 3.39Å; S102-T105 PolarHBondContact OG-OG1 3.04Å; S102-T105 VanDerWaalsContact OG-OG1 3.1Å; T105-V108 PolarHBondContact O-N 3.06Å; T105-I109 HydrophobicContact CG2-CD1 4.28Å; T105-I109 PolarHBondContact O-N 3.45Å; T105-E127 HydrophobicContact CG2-CB 4.31Å; T105-E127 WeakPolarHBondContact OG1-CB 3.34Å; T105-E127 PolarHBondContact OG1-OE2 2.87Å; T105-V128 HydrophobicContact CG2-CG2 4.36Å; T105-A131 HydrophobicContact CG2-CB 3.56Å |
| 106 | F | 93.7 | Very high | 89.5 | Confident | 1 Ų | 1 | 39.6 Ų | 39.6 | 0% | 0.004 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -67.2 | -34.6 | 173.6 | -169.5 | -109.6 | 0 | 0 | 0 | 112.9 | V58 V60 F65 F79 F101 S102 P103 D104 V108 I109 L110 L135 | V58-F106 HydrophobicContact CB-CE1 4.15Å; V58-F106 HydrophobicContact CB-CZ 4.12Å; V58-F106 HydrophobicContact CG1-CE1 3.73Å; V58-F106 HydrophobicContact CG1-CE2 4.25Å; V58-F106 HydrophobicContact CG1-CZ 3.58Å; V58-F106 HydrophobicContact CG2-CZ 4.32Å; V60-F106 HydrophobicContact CG1-CB 4.35Å; V60-F106 HydrophobicContact CG2-CB 3.94Å; V60-F106 HydrophobicContact CG2-CD1 3.69Å; V60-F106 HydrophobicContact CG2-CD2 4.28Å; V60-F106 HydrophobicContact CG2-CE1 4.27Å; V60-F106 HydrophobicContact CG2-CG 3.69Å; F65-F106 HydrophobicContact CB-CD1 4.4Å; F65-F106 HydrophobicContact CB-CE1 3.9Å; F65-F106 HydrophobicContact CD1-CD1 4.16Å; F65-F106 HydrophobicContact CD1-CE1 4.37Å; F65-F106 AromaticContact CD2-CD1 3.66Å; F65-F106 HydrophobicContact CD2-CD1 3.66Å; F65-F106 AromaticContact CD2-CE1 3.97Å; F65-F106 HydrophobicContact CD2-CE1 3.97Å; F65-F106 HydrophobicContact CE1-CD1 4.34Å; F65-F106 AromaticContact CE2-CD1 3.86Å; F65-F106 HydrophobicContact CE2-CD1 3.86Å; F65-F106 AromaticContact CG-CD1 3.81Å; F65-F106 HydrophobicContact CG-CD1 3.81Å; F65-F106 AromaticContact CG-CE1 3.82Å; F65-F106 HydrophobicContact CG-CE1 3.82Å; F65-F106 HydrophobicContact CZ-CD1 4.18Å; F79-F106 HydrophobicContact CE2-CE2 4.16Å; F79-F106 AromaticContact CZ-CE2 3.9Å; F79-F106 HydrophobicContact CZ-CE2 3.9Å; F79-F106 HydrophobicContact CZ-CZ 4.07Å; F101-F106 HydrophobicContact CD2-CB 4.09Å; F101-F106 HydrophobicContact CE2-CB 3.87Å; F101-F106 AromaticContact CE2-CD2 3.63Å; F101-F106 HydrophobicContact CE2-CD2 3.63Å; F101-F106 HydrophobicContact CE2-CG 4.04Å; F101-F106 HydrophobicContact CZ-CD2 4.14Å; S102-F106 PolarHBondContact O-N 3.32Å; P103-F106 CarbonylContact O-C 3.59Å; P103-F106 WeakPolarHBondContact O-CB 3.43Å; P103-F106 PolarHBondContact O-N 2.97Å; P103-F106 VanDerWaalsContact O-N 3.16Å; D104-F106 VanDerWaalsContact C-N 3.27Å; D104-F106 PolarHBondContact O-N 2.99Å; F106-V108 PolarHBondContact O-N 3.26Å; F106-I109 PolarHBondContact O-N 2.92Å; F106-L110 HydrophobicContact CE1-CB 4.32Å; F106-L110 HydrophobicContact CE1-CD2 4.06Å; F106-L110 VanDerWaalsContact O-CB 3.27Å; F106-L110 WeakPolarHBondContact O-CB 3.45Å; F106-L110 PolarHBondContact O-N 2.96Å; F106-L135 HydrophobicContact CE2-CD1 4.48Å |
| 107 | T | 93.1 | Very high | 89.8 | Confident | 46 Ų | 46 | 45.6 Ų | 45.6 | 28% | 0.282 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62.2 | -42.7 | 176.2 | 74.4 | 0 | 0 | 0 | 0 | 111.7 | F65 P103 D104 I109 L110 D111 | F65-T107 HydrophobicContact CE1-CG2 3.61Å; F65-T107 HydrophobicContact CZ-CG2 3.82Å; P103-T107 WeakPolarHBondContact O-CG2 3.24Å; P103-T107 PolarHBondContact O-N 2.84Å; D104-T107 WeakPolarHBondContact O-CB 3.25Å; D104-T107 PolarHBondContact O-N 2.68Å; D104-T107 PolarHBondContact O-OG1 2.85Å; T107-I109 PolarHBondContact O-N 2.9Å; T107-L110 PolarHBondContact O-N 3.12Å; T107-D111 WeakPolarHBondContact O-CB 3.34Å; T107-D111 PolarHBondContact O-N 3.47Å |
| 108 | V | 93.4 | Very high | 90.1 | Very high | 31 Ų | 31 | 42.1 Ų | 42.1 | 19% | 0.188 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.8 | -42.5 | 177.7 | 176.4 | 0 | 0 | 0 | 0 | 110.8 | D104 T105 F106 F112 L118 V128 | D104-V108 PolarHBondContact O-N 3Å; T105-V108 PolarHBondContact O-N 3.06Å; F106-V108 PolarHBondContact O-N 3.26Å; V108-F112 WeakPolarHBondContact O-CB 3.49Å; V108-F112 PolarHBondContact O-N 3.19Å; V108-L118 HydrophobicContact CG1-CD1 3.86Å; V108-V128 HydrophobicContact CB-CG2 4.37Å; V108-V128 HydrophobicContact CG1-CG2 4.03Å |
| 109 | I | 93.5 | Very high | 90.2 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -68.8 | -40.5 | 177.2 | -68 | 173.9 | 0 | 0 | 0 | 111.4 | T105 F106 T107 F112 I113 V128 A131 L135 M137 | T105-I109 HydrophobicContact CG2-CD1 4.28Å; T105-I109 PolarHBondContact O-N 3.45Å; F106-I109 PolarHBondContact O-N 2.92Å; T107-I109 PolarHBondContact O-N 2.9Å; I109-F112 PolarHBondContact O-N 3.25Å; I109-I113 HydrophobicContact CG2-CD1 4.03Å; I109-I113 VanDerWaalsContact O-CG1 3.25Å; I109-I113 WeakPolarHBondContact O-CG1 3.29Å; I109-I113 PolarHBondContact O-N 3.13Å; I109-V128 HydrophobicContact CG1-CG1 4.29Å; I109-A131 HydrophobicContact CD1-CB 3.54Å; I109-L135 HydrophobicContact CD1-CD1 4.28Å; I109-L135 HydrophobicContact CG2-CD1 4.01Å; I109-M137 HydrophobicContact CG2-CE 4.17Å; I109-M137 HydrophobicContact CG2-SD 3.67Å |
| 110 | L | 92.6 | Very high | 90.6 | Very high | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -69.2 | -44.1 | 179.8 | -173.9 | 63.4 | 0 | 0 | 0 | 111.6 | R48 F65 A67 L72 F106 T107 F112 I113 Y114 | R48-L110 VanDerWaalsContact NH1-CD2 3.34Å; F65-L110 HydrophobicContact CB-CD2 4.23Å; F65-L110 HydrophobicContact CD1-CD2 4.01Å; F65-L110 HydrophobicContact CG-CD2 4.46Å; A67-L110 HydrophobicContact CB-CD1 4.4Å; L72-L110 HydrophobicContact CD2-CD1 4.01Å; F106-L110 HydrophobicContact CE1-CB 4.32Å; F106-L110 HydrophobicContact CE1-CD2 4.06Å; F106-L110 VanDerWaalsContact O-CB 3.27Å; F106-L110 WeakPolarHBondContact O-CB 3.45Å; F106-L110 PolarHBondContact O-N 2.96Å; T107-L110 PolarHBondContact O-N 3.12Å; L110-F112 VanDerWaalsContact C-N 3.33Å; L110-F112 PolarHBondContact O-N 2.87Å; L110-I113 WeakPolarHBondContact O-CB 3.28Å; L110-I113 PolarHBondContact O-N 2.92Å; L110-I113 VanDerWaalsContact O-N 3.16Å; L110-Y114 HydrophobicContact CD1-CD2 4.07Å; L110-Y114 HydrophobicContact CD1-CE2 3.81Å; L110-Y114 WeakPolarHBondContact O-CD2 3.42Å; L110-Y114 PolarHBondContact O-N 3.4Å |
| 111 | D | 91.5 | Very high | 90.9 | Very high | 47 Ų | 47 | 38.2 Ų | 38.2 | 25% | 0.251 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -69.6 | -30.5 | 176.9 | -82.8 | 37.2 | 0 | 0 | 0 | 111.2 | R48 R49 T107 Y114 S115 | R48-D111 IonicContact CZ-OD1 3.81Å; R48-D111 IonicContact NH1-OD1 2.72Å; R48-D111 PolarHBondContact NH1-OD1 3.39Å; R48-D111 VanDerWaalsContact NH2-CG 3.34Å; R48-D111 IonicContact NH2-OD1 3.6Å; R48-D111 PolarHBondContact NH2-OD1 3.46Å; R48-D111 IonicContact NH2-OD2 3.9Å; R48-D111 PolarHBondContact NH2-OD2 3.02Å; R49-D111 IonicContact CZ-OD2 2.62Å; R49-D111 IonicContact NH1-OD2 2.68Å; R49-D111 PolarHBondContact NH1-OD2 2.84Å; R49-D111 IonicContact NH2-OD2 2.8Å; R49-D111 PolarHBondContact NH2-OD2 3.47Å; T107-D111 WeakPolarHBondContact O-CB 3.34Å; T107-D111 PolarHBondContact O-N 3.47Å; D111-Y114 PolarHBondContact O-N 3.15Å; D111-S115 VanDerWaalsContact O-CB 3.22Å; D111-S115 WeakPolarHBondContact O-CB 3.46Å; D111-S115 PolarHBondContact O-N 3.4Å; D111-S115 PolarHBondContact O-OG 3.31Å |
| 112 | F | 92.1 | Very high | 90.8 | Very high | 46 Ų | 46 | 42.7 Ų | 42.7 | 20% | 0.202 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.4 | -44.2 | 165.8 | 166.5 | -100.1 | 0 | 0 | 0 | 112.9 | V108 I109 L110 Y114 S115 G116 Q117 L118 M137 V140 | V108-F112 WeakPolarHBondContact O-CB 3.49Å; V108-F112 PolarHBondContact O-N 3.19Å; I109-F112 PolarHBondContact O-N 3.25Å; L110-F112 VanDerWaalsContact C-N 3.33Å; L110-F112 PolarHBondContact O-N 2.87Å; F112-Y114 PolarHBondContact O-N 3.04Å; F112-S115 PolarHBondContact O-N 2.95Å; F112-G116 WeakPolarHBondContact O-CA 3.5Å; F112-G116 PolarHBondContact O-N 3.15Å; F112-Q117 VanDerWaalsContact CA-O 3.22Å; F112-Q117 WeakPolarHBondContact CA-O 3.47Å; F112-Q117 WeakPolarHBondContact CB-O 3.45Å; F112-L118 HydrophobicContact CB-CB 4.44Å; F112-L118 HydrophobicContact CB-CD1 3.62Å; F112-L118 HydrophobicContact CD2-CB 3.74Å; F112-L118 HydrophobicContact CD2-CD1 4.21Å; F112-L118 HydrophobicContact CE2-CB 4.4Å; F112-L118 HydrophobicContact CG-CB 4.29Å; F112-L118 HydrophobicContact CG-CD1 3.88Å; F112-M137 HydrophobicContact CD1-CE 4.1Å; F112-M137 HydrophobicContact CE1-CE 4.05Å; F112-V140 HydrophobicContact CD1-CG2 3.7Å; F112-V140 HydrophobicContact CE1-CG2 3.28Å; F112-V140 HydrophobicContact CZ-CG2 3.84Å |
| 113 | I | 91.7 | Very high | 90.7 | Very high | 8 Ų | 8 | 48.6 Ų | 48.6 | 4% | 0.041 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.1 | -30.1 | 179.1 | -76.7 | 168.7 | 0 | 0 | 0 | 112.2 | V71 L72 I109 L110 M137 | V71-I113 HydrophobicContact CG1-CG2 3.54Å; L72-I113 HydrophobicContact CD2-CD1 4.09Å; L72-I113 HydrophobicContact CD2-CG2 4.45Å; I109-I113 HydrophobicContact CG2-CD1 4.03Å; I109-I113 VanDerWaalsContact O-CG1 3.25Å; I109-I113 WeakPolarHBondContact O-CG1 3.29Å; I109-I113 PolarHBondContact O-N 3.13Å; L110-I113 WeakPolarHBondContact O-CB 3.28Å; L110-I113 PolarHBondContact O-N 2.92Å; L110-I113 VanDerWaalsContact O-N 3.16Å; I113-M137 HydrophobicContact CD1-CE 3.8Å; I113-M137 HydrophobicContact CD1-SD 4.28Å; I113-M137 HydrophobicContact CG1-CE 3.66Å |
| 114 | Y | 91.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -102.1 | -22.1 | -177.4 | -80.5 | -92.7 | 0 | 0 | 0 | 114.9 | L41 L44 D45 R48 H68 V71 L110 D111 F112 | L41-Y114 CarbonylContact C-O 3.41Å; L44-Y114 HydrophobicContact CB-CD1 4.15Å; L44-Y114 HydrophobicContact CB-CE1 4.1Å; D45-Y114 HydrophobicContact CB-CD1 4.25Å; R48-Y114 HydrophobicContact CB-CD1 4.42Å; R48-Y114 HydrophobicContact CB-CE1 4.08Å; H68-Y114 WeakPolarHBondContact CB-OH 3.47Å; H68-Y114 PolarHBondContact N-OH 3.41Å; H68-Y114 AromaticContact ND1-CE1 3.5Å; H68-Y114 WeakPolarHBondContact ND1-CE1 3.35Å; H68-Y114 AromaticContact ND1-CZ 3.66Å; H68-Y114 PolarHBondContact ND1-OH 3.39Å; V71-Y114 HydrophobicContact CB-CE1 4.38Å; V71-Y114 HydrophobicContact CB-CE2 4.46Å; V71-Y114 HydrophobicContact CG1-CD2 4.44Å; V71-Y114 HydrophobicContact CG1-CE1 4.1Å; V71-Y114 HydrophobicContact CG1-CE2 3.96Å; V71-Y114 HydrophobicContact CG2-CE1 4.21Å; L110-Y114 HydrophobicContact CD1-CD2 4.07Å; L110-Y114 HydrophobicContact CD1-CE2 3.81Å; L110-Y114 WeakPolarHBondContact O-CD2 3.42Å; L110-Y114 PolarHBondContact O-N 3.4Å; D111-Y114 PolarHBondContact O-N 3.15Å; F112-Y114 PolarHBondContact O-N 3.04Å |
| 115 | S | 87.7 | Confident | 90.7 | Very high | 55 Ų | 55 | 43.7 Ų | 43.7 | 39% | 0.385 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -104.5 | -25.9 | 178.9 | 68.5 | 0 | 0 | 0 | 0 | 114.3 | D111 F112 Q117 | D111-S115 VanDerWaalsContact O-CB 3.22Å; D111-S115 WeakPolarHBondContact O-CB 3.46Å; D111-S115 PolarHBondContact O-N 3.4Å; D111-S115 PolarHBondContact O-OG 3.31Å; F112-S115 PolarHBondContact O-N 2.95Å; S115-Q117 PolarHBondContact OG-N 2.99Å; S115-Q117 PolarHBondContact OG-O 2.98Å |
| 116 | G | 85.6 | Confident | 90.7 | Very high | 50 Ų | 50 | 48.9 Ų | 48.9 | 52% | 0.515 | 28% | 0.277 | S | S | . | . | S | Bend | trans | 75.5 | 4.1 | -166.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | F112 | F112-G116 WeakPolarHBondContact O-CA 3.5Å; F112-G116 PolarHBondContact O-N 3.15Å |
| 117 | Q | 86 | Confident | 90.6 | Very high | 144 Ų | 144 | 53.5 Ų | 53.5 | 67% | 0.673 | 30% | 0.299 | S | S | * | . | trans | -110.6 | 137.7 | -179 | -59.9 | -176 | -51.5 | 0 | 0 | 110.1 | F112 S115 | F112-Q117 VanDerWaalsContact CA-O 3.22Å; F112-Q117 WeakPolarHBondContact CA-O 3.47Å; F112-Q117 WeakPolarHBondContact CB-O 3.45Å; S115-Q117 PolarHBondContact OG-N 2.99Å; S115-Q117 PolarHBondContact OG-O 2.98Å | ||
| 118 | L | 91.1 | Very high | 90.7 | Very high | 15 Ų | 15 | 51.3 Ų | 51.3 | 8% | 0.079 | 29% | 0.285 | C | S | . | . | trans | -124.1 | 106.2 | -175.8 | -171.2 | 75 | 0 | 0 | 0 | 110.2 | V108 F112 L120 V128 V140 Y143 | V108-L118 HydrophobicContact CG1-CD1 3.86Å; F112-L118 HydrophobicContact CB-CB 4.44Å; F112-L118 HydrophobicContact CB-CD1 3.62Å; F112-L118 HydrophobicContact CD2-CB 3.74Å; F112-L118 HydrophobicContact CD2-CD1 4.21Å; F112-L118 HydrophobicContact CE2-CB 4.4Å; F112-L118 HydrophobicContact CG-CB 4.29Å; F112-L118 HydrophobicContact CG-CD1 3.88Å; L118-L120 HydrophobicContact CD2-CD1 4.05Å; L118-L120 HydrophobicContact CD2-CD2 3.78Å; L118-L120 HydrophobicContact CD2-CG 3.81Å; L118-L120 HydrophobicContact CG-CD2 3.97Å; L118-L120 HydrophobicContact CG-CG 4.01Å; L118-L120 PolarHBondContact O-N 3.32Å; L118-V128 HydrophobicContact CD1-CG1 4.15Å; L118-V128 HydrophobicContact CD2-CG1 4.39Å; L118-V140 HydrophobicContact CD1-CG1 4.49Å; L118-V140 HydrophobicContact CD2-CG1 3.82Å; L118-Y143 HydrophobicContact CB-CD1 4.48Å; L118-Y143 HydrophobicContact CB-CE1 4.43Å; L118-Y143 HydrophobicContact CD2-CD1 3.82Å; L118-Y143 HydrophobicContact CD2-CE1 4.44Å | ||
| 119 | D | 87.9 | Confident | 90.7 | Very high | 131 Ų | 131 | 52.1 Ų | 52.1 | 70% | 0.701 | 29% | 0.288 | S | S | * | . | trans | -79.2 | 85.6 | -177.5 | -67.6 | -26.9 | 0 | 0 | 0 | 110.9 | N124 | D119-N124 PolarHBondContact O-ND2 3.22Š| ||
| 120 | L | 91.5 | Very high | 90.8 | Very high | 26 Ų | 26 | 55.4 Ų | 55.4 | 14% | 0.136 | 31% | 0.311 | C | S | . | . | trans | -87.6 | 143.6 | 176.8 | -67.9 | -172.2 | 0 | 0 | 0 | 113.1 | L118 N124 V125 V128 Y143 C144 F147 | L118-L120 HydrophobicContact CD2-CD1 4.05Å; L118-L120 HydrophobicContact CD2-CD2 3.78Å; L118-L120 HydrophobicContact CD2-CG 3.81Å; L118-L120 HydrophobicContact CG-CD2 3.97Å; L118-L120 HydrophobicContact CG-CG 4.01Å; L118-L120 PolarHBondContact O-N 3.32Å; L120-N124 WeakPolarHBondContact CA-OD1 3.45Å; L120-V125 HydrophobicContact CD1-CG2 3.9Å; L120-V125 HydrophobicContact CD2-CB 4.33Å; L120-V125 HydrophobicContact CD2-CG2 4.21Å; L120-V128 HydrophobicContact CD2-CB 4.13Å; L120-V128 HydrophobicContact CD2-CG1 3.9Å; L120-V128 HydrophobicContact CD2-CG2 4.42Å; L120-Y143 HydrophobicContact CD1-CD1 3.58Å; L120-Y143 HydrophobicContact CD1-CE1 3.87Å; L120-Y143 HydrophobicContact CG-CD1 4.3Å; L120-Y143 HydrophobicContact CG-CE1 4.3Å; L120-C144 HydrophobicContact CD1-CB 4.38Å; L120-F147 HydrophobicContact CB-CD1 4.31Å; L120-F147 HydrophobicContact CB-CD2 3.8Å; L120-F147 HydrophobicContact CB-CE1 4.28Å; L120-F147 HydrophobicContact CB-CE2 3.77Å; L120-F147 HydrophobicContact CB-CG 4.08Å; L120-F147 HydrophobicContact CB-CZ 4.01Å; L120-F147 HydrophobicContact CD1-CB 3.73Å; L120-F147 HydrophobicContact CD1-CD1 4.32Å; L120-F147 HydrophobicContact CD1-CD2 4.14Å; L120-F147 HydrophobicContact CD1-CG 3.82Å | ||
| 121 | S | 89.7 | Confident | 90.8 | Very high | 23 Ų | 23 | 55.4 Ų | 55.4 | 16% | 0.161 | 31% | 0.311 | C | S | . | . | trans | -136.6 | 165.3 | 175.1 | 75.6 | 0 | 0 | 0 | 0 | 110.5 | H123 N124 V125 | S121-H123 PolarHBondContact O-N 3.37Å; S121-H123 PolarHBondContact OG-CD2 3.31Å; S121-H123 PolarHBondContact OG-CE1 3.36Å; S121-H123 PolarHBondContact OG-N 2.95Å; S121-H123 PolarHBondContact OG-ND1 3.25Å; S121-H123 PolarHBondContact OG-NE2 3.1Å; S121-N124 PolarHBondContact N-OD1 3.41Å; S121-N124 PolarHBondContact O-N 3.27Å; S121-N124 PolarHBondContact O-OD1 3.36Å; S121-N124 VanDerWaalsContact OG-CG 3.28Å; S121-N124 PolarHBondContact OG-N 3.2Å; S121-N124 PolarHBondContact OG-OD1 3.27Å; S121-V125 WeakPolarHBondContact O-CB 3.45Å; S121-V125 WeakPolarHBondContact O-CG1 3.25Å; S121-V125 PolarHBondContact O-N 3.5Å; S121-V125 VanDerWaalsContact O-N 3.13Å | ||
| 122 | S | 85.7 | Confident | 91 | Very high | 108 Ų | 108 | 53.1 Ų | 53.1 | 76% | 0.755 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -19.3 | 174 | 52.5 | 0 | 0 | 0 | 0 | 114.1 | ||
| 123 | H | 88.2 | Confident | 91.1 | Very high | 150 Ų | 150 | 54.5 Ų | 54.5 | 69% | 0.694 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | -38.1 | 177 | 56.1 | -99.7 | 0 | 0 | 0 | 113.1 | S121 | S121-H123 PolarHBondContact O-N 3.37Å; S121-H123 PolarHBondContact OG-CD2 3.31Å; S121-H123 PolarHBondContact OG-CE1 3.36Å; S121-H123 PolarHBondContact OG-N 2.95Å; S121-H123 PolarHBondContact OG-ND1 3.25Å; S121-H123 PolarHBondContact OG-NE2 3.1Å |
| 124 | N | 92.6 | Very high | 91.2 | Very high | 24 Ų | 24 | 58 Ų | 58 | 13% | 0.128 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -21.1 | -174.6 | 78.7 | 5.1 | 0 | 0 | 0 | 114.3 | D119 L120 S121 I126 E127 V128 | D119-N124 PolarHBondContact O-ND2 3.22Å; L120-N124 WeakPolarHBondContact CA-OD1 3.45Å; S121-N124 PolarHBondContact N-OD1 3.41Å; S121-N124 PolarHBondContact O-N 3.27Å; S121-N124 PolarHBondContact O-OD1 3.36Å; S121-N124 VanDerWaalsContact OG-CG 3.28Å; S121-N124 PolarHBondContact OG-N 3.2Å; S121-N124 PolarHBondContact OG-OD1 3.27Å; N124-I126 PolarHBondContact O-N 2.75Å; N124-I126 VanDerWaalsContact O-N 3.09Å; N124-E127 PolarHBondContact O-N 3.01Å; N124-E127 VanDerWaalsContact O-N 3.08Å; N124-V128 HydrophobicContact CB-CG2 4.25Å; N124-V128 WeakPolarHBondContact O-CG2 3.46Å; N124-V128 PolarHBondContact O-N 3.4Å |
| 125 | V | 93.3 | Very high | 91.3 | Very high | 6 Ų | 6 | 58 Ų | 58 | 4% | 0.036 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61 | -30.1 | -167.6 | 64.7 | 0 | 0 | 0 | 0 | 113.9 | L120 S121 M129 C144 F147 I148 | L120-V125 HydrophobicContact CD1-CG2 3.9Å; L120-V125 HydrophobicContact CD2-CB 4.33Å; L120-V125 HydrophobicContact CD2-CG2 4.21Å; S121-V125 WeakPolarHBondContact O-CB 3.45Å; S121-V125 WeakPolarHBondContact O-CG1 3.25Å; S121-V125 PolarHBondContact O-N 3.5Å; S121-V125 VanDerWaalsContact O-N 3.13Å; V125-M129 WeakPolarHBondContact O-CB 3.21Å; V125-M129 PolarHBondContact O-N 2.62Å; V125-C144 HydrophobicContact CG2-CB 3.75Å; V125-F147 HydrophobicContact CB-CD1 4.12Å; V125-F147 HydrophobicContact CB-CE1 4.24Å; V125-F147 HydrophobicContact CG1-CD1 4.25Å; V125-F147 HydrophobicContact CG1-CE1 4.24Å; V125-F147 HydrophobicContact CG2-CD1 3.89Å; V125-I148 HydrophobicContact CG1-CD1 4.42Å; V125-I148 HydrophobicContact CG1-CG1 4.07Å; V125-I148 HydrophobicContact CG2-CD1 4.07Å; V125-I148 HydrophobicContact CG2-CG1 3.96Å |
| 126 | I | 91.8 | Very high | 91.6 | Very high | 115 Ų | 115 | 60 Ų | 60 | 59% | 0.59 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -73 | -43.4 | 178.3 | -57.3 | 178.6 | 0 | 0 | 0 | 111 | N124 M129 S130 | N124-I126 PolarHBondContact O-N 2.75Å; N124-I126 VanDerWaalsContact O-N 3.09Å; I126-M129 PolarHBondContact O-N 3.25Å; I126-S130 PolarHBondContact O-N 3.37Å; I126-S130 PolarHBondContact O-OG 3.01Å |
| 127 | E | 93.1 | Very high | 92 | Very high | 97 Ų | 97 | 58.1 Ų | 58.1 | 45% | 0.453 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -69 | -44.3 | 176.8 | -63.6 | -173.4 | -164.1 | 0 | 0 | 111.6 | S102 T105 N124 M129 S130 A131 | S102-E127 PolarHBondContact OG-OE2 3.39Å; T105-E127 HydrophobicContact CG2-CB 4.31Å; T105-E127 WeakPolarHBondContact OG1-CB 3.34Å; T105-E127 PolarHBondContact OG1-OE2 2.87Å; N124-E127 PolarHBondContact O-N 3.01Å; N124-E127 VanDerWaalsContact O-N 3.08Å; E127-M129 VanDerWaalsContact C-N 3.28Å; E127-M129 PolarHBondContact O-N 2.97Å; E127-S130 PolarHBondContact O-N 3.3Å; E127-S130 PolarHBondContact O-OG 3.49Å; E127-A131 WeakPolarHBondContact O-CB 3.47Å; E127-A131 PolarHBondContact O-N 3.31Å |
| 128 | V | 94.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61.4 | -38.3 | 174.5 | 176.3 | 0 | 0 | 0 | 0 | 110.7 | T105 V108 I109 L118 L120 N124 A132 V140 | T105-V128 HydrophobicContact CG2-CG2 4.36Å; V108-V128 HydrophobicContact CB-CG2 4.37Å; V108-V128 HydrophobicContact CG1-CG2 4.03Å; I109-V128 HydrophobicContact CG1-CG1 4.29Å; L118-V128 HydrophobicContact CD1-CG1 4.15Å; L118-V128 HydrophobicContact CD2-CG1 4.39Å; L120-V128 HydrophobicContact CD2-CB 4.13Å; L120-V128 HydrophobicContact CD2-CG1 3.9Å; L120-V128 HydrophobicContact CD2-CG2 4.42Å; N124-V128 HydrophobicContact CB-CG2 4.25Å; N124-V128 WeakPolarHBondContact O-CG2 3.46Å; N124-V128 PolarHBondContact O-N 3.4Å; V128-A132 WeakPolarHBondContact O-CB 3.42Å; V128-A132 PolarHBondContact O-N 3.49Å; V128-V140 HydrophobicContact CG1-CG1 4.19Å |
| 129 | M | 93.9 | Very high | 92.2 | Very high | 48 Ų | 48 | 62.8 Ų | 62.8 | 24% | 0.236 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -69.6 | -37.8 | 175.7 | -175.5 | 171.5 | 58.3 | 0 | 0 | 113.1 | V125 I126 E127 S133 C144 K145 I148 | V125-M129 WeakPolarHBondContact O-CB 3.21Å; V125-M129 PolarHBondContact O-N 2.62Å; I126-M129 PolarHBondContact O-N 3.25Å; E127-M129 VanDerWaalsContact C-N 3.28Å; E127-M129 PolarHBondContact O-N 2.97Å; M129-S133 WeakPolarHBondContact O-CB 3.35Å; M129-S133 PolarHBondContact O-N 3.29Å; M129-C144 HydrophobicContact CB-CB 3.82Å; M129-C144 HydrophobicContact CG-CB 4.06Å; M129-C144 HydrophobicContact SD-CB 4.15Å; M129-K145 HydrophobicContact SD-CG 4.11Å; M129-I148 HydrophobicContact CE-CD1 3.75Å; M129-I148 HydrophobicContact SD-CD1 4.13Å |
| 130 | S | 94.6 | Very high | 92.4 | Very high | 69 Ų | 69 | 56.7 Ų | 56.7 | 48% | 0.483 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -71.4 | -44 | 178.2 | 69.5 | 0 | 0 | 0 | 0 | 111.5 | I126 E127 S133 Y134 | I126-S130 PolarHBondContact O-N 3.37Å; I126-S130 PolarHBondContact O-OG 3.01Å; E127-S130 PolarHBondContact O-N 3.3Å; E127-S130 PolarHBondContact O-OG 3.49Å; S130-S133 VanDerWaalsContact O-CB 3.32Å; S130-S133 WeakPolarHBondContact O-CB 3.49Å; S130-S133 PolarHBondContact O-N 2.97Å; S130-S133 VanDerWaalsContact O-N 3.17Å; S130-Y134 PolarHBondContact O-N 3.42Å |
| 131 | A | 94.1 | Very high | 92.5 | Very high | 1 Ų | 1 | 56.5 Ų | 56.5 | 1% | 0.008 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.6 | -39.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112 | F101 T105 I109 E127 S133 Y134 L135 | F101-A131 HydrophobicContact CB-CB 3.91Å; F101-A131 HydrophobicContact CD1-CB 3.79Å; F101-A131 HydrophobicContact CG-CB 3.85Å; T105-A131 HydrophobicContact CG2-CB 3.56Å; I109-A131 HydrophobicContact CD1-CB 3.54Å; E127-A131 WeakPolarHBondContact O-CB 3.47Å; E127-A131 PolarHBondContact O-N 3.31Å; A131-S133 VanDerWaalsContact C-N 3.31Å; A131-S133 PolarHBondContact O-N 3.01Å; A131-Y134 PolarHBondContact O-N 3.2Å; A131-L135 WeakPolarHBondContact O-CB 3.35Å; A131-L135 WeakPolarHBondContact O-CG 3.42Å; A131-L135 PolarHBondContact O-N 3.06Å |
| 132 | A | 94.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.5 | -33.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | V128 Q136 M137 V140 I141 | V128-A132 WeakPolarHBondContact O-CB 3.42Å; V128-A132 PolarHBondContact O-N 3.49Å; A132-Q136 PolarHBondContact O-N 2.98Å; A132-M137 HydrophobicContact CB-CB 4.28Å; A132-M137 PolarHBondContact O-N 3.16Å; A132-V140 HydrophobicContact CB-CB 3.86Å; A132-V140 HydrophobicContact CB-CG1 3.49Å; A132-V140 VanDerWaalsContact CB-CG1 3.49Å; A132-I141 HydrophobicContact CB-CG1 3.92Å |
| 133 | S | 94.8 | Very high | 92.9 | Very high | 74 Ų | 74 | 59.5 Ų | 59.5 | 52% | 0.517 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -65.4 | -47.2 | 172.2 | -166.5 | 0 | 0 | 0 | 0 | 111.4 | M129 S130 A131 L135 Q136 | M129-S133 WeakPolarHBondContact O-CB 3.35Å; M129-S133 PolarHBondContact O-N 3.29Å; S130-S133 VanDerWaalsContact O-CB 3.32Å; S130-S133 WeakPolarHBondContact O-CB 3.49Å; S130-S133 PolarHBondContact O-N 2.97Å; S130-S133 VanDerWaalsContact O-N 3.17Å; A131-S133 VanDerWaalsContact C-N 3.31Å; A131-S133 PolarHBondContact O-N 3.01Å; S133-L135 PolarHBondContact O-N 3.09Å; S133-Q136 PolarHBondContact O-N 3.02Å; S133-Q136 VanDerWaalsContact O-N 3.12Å |
| 134 | Y | 93.8 | Very high | 93.2 | Very high | 82 Ų | 82 | 52.4 Ų | 52.4 | 32% | 0.322 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -58.8 | -46.4 | 174.7 | -176.2 | -86.2 | 0 | 0 | 0 | 112 | Y78 F98 V100 F101 S130 A131 Q136 | Y78-Y134 HydrophobicContact CD1-CE1 4.47Å; Y78-Y134 HydrophobicContact CD2-CE1 4.28Å; Y78-Y134 HydrophobicContact CE1-CE1 4.03Å; Y78-Y134 AromaticContact CE2-CE1 3.79Å; Y78-Y134 HydrophobicContact CE2-CE1 3.79Å; Y78-Y134 AromaticContact CE2-CZ 3.94Å; Y78-Y134 AromaticContact CZ-CE1 3.66Å; Y78-Y134 AromaticContact CZ-CZ 3.94Å; Y78-Y134 PolarHBondContact OH-OH 2.76Å; Y78-Y134 VanDerWaalsContact OH-OH 3.09Å; F98-Y134 AromaticContact CD1-CE1 3.91Å; F98-Y134 HydrophobicContact CD1-CE1 3.91Å; F98-Y134 AromaticContact CE1-CE1 3.83Å; F98-Y134 HydrophobicContact CE1-CE1 3.83Å; V100-Y134 HydrophobicContact CB-CE2 4.37Å; V100-Y134 HydrophobicContact CG1-CD2 3.84Å; V100-Y134 HydrophobicContact CG1-CE2 4.01Å; V100-Y134 HydrophobicContact CG1-CG 4.4Å; V100-Y134 HydrophobicContact CG2-CE2 3.99Å; F101-Y134 AromaticContact CE1-CD1 3.91Å; F101-Y134 HydrophobicContact CE1-CD1 3.91Å; F101-Y134 HydrophobicContact CE1-CE1 4.34Å; S130-Y134 PolarHBondContact O-N 3.42Å; A131-Y134 PolarHBondContact O-N 3.2Å; Y134-Q136 PolarHBondContact O-N 3.39Å |
| 135 | L | 93.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | 2.5 | 178.2 | -64.9 | 174.2 | 0 | 0 | 0 | 113.9 | S76 Y78 F79 F101 F106 I109 A131 S133 M137 | S76-L135 WeakPolarHBondContact CB-O 3.45Å; S76-L135 PolarHBondContact OG-O 3.24Å; Y78-L135 HydrophobicContact CD1-CD2 3.93Å; Y78-L135 HydrophobicContact CG-CD2 4.4Å; Y78-L135 PolarHBondContact N-O 3.38Å; F79-L135 HydrophobicContact CD2-CD2 4.27Å; F79-L135 HydrophobicContact CE2-CD1 4.31Å; F79-L135 HydrophobicContact CE2-CD2 3.85Å; F79-L135 HydrophobicContact CZ-CD2 4.14Å; F101-L135 HydrophobicContact CE1-CG 4.49Å; F101-L135 HydrophobicContact CZ-CD1 4.44Å; F106-L135 HydrophobicContact CE2-CD1 4.48Å; I109-L135 HydrophobicContact CD1-CD1 4.28Å; I109-L135 HydrophobicContact CG2-CD1 4.01Å; A131-L135 WeakPolarHBondContact O-CB 3.35Å; A131-L135 WeakPolarHBondContact O-CG 3.42Å; A131-L135 PolarHBondContact O-N 3.06Å; S133-L135 PolarHBondContact O-N 3.09Å; L135-M137 VanDerWaalsContact C-N 3.32Å; L135-M137 HydrophobicContact CB-CG 3.97Å; L135-M137 HydrophobicContact CB-SD 4.02Å; L135-M137 HydrophobicContact CD1-SD 4.33Å; L135-M137 PolarHBondContact O-N 3.21Å |
| 136 | Q | 93.9 | Very high | 93.1 | Very high | 98 Ų | 98 | 59.5 Ų | 59.5 | 46% | 0.458 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.7 | 37.4 | 178.3 | -54.5 | 176.6 | 4.1 | 0 | 0 | 114 | A132 S133 Y134 N138 | A132-Q136 PolarHBondContact O-N 2.98Å; S133-Q136 PolarHBondContact O-N 3.02Å; S133-Q136 VanDerWaalsContact O-N 3.12Å; Y134-Q136 PolarHBondContact O-N 3.39Å; Q136-N138 PolarHBondContact O-N 3.16Å |
| 137 | M | 93.4 | Very high | 93.2 | Very high | 9 Ų | 9 | 56.5 Ų | 56.5 | 4% | 0.044 | 29% | 0.288 | C | S | . | . | trans | -94.8 | 70.8 | -175.4 | -64.7 | -177.7 | 72.3 | 0 | 0 | 111.7 | I109 F112 I113 A132 L135 N139 V140 I141 | I109-M137 HydrophobicContact CG2-CE 4.17Å; I109-M137 HydrophobicContact CG2-SD 3.67Å; F112-M137 HydrophobicContact CD1-CE 4.1Å; F112-M137 HydrophobicContact CE1-CE 4.05Å; I113-M137 HydrophobicContact CD1-CE 3.8Å; I113-M137 HydrophobicContact CD1-SD 4.28Å; I113-M137 HydrophobicContact CG1-CE 3.66Å; A132-M137 HydrophobicContact CB-CB 4.28Å; A132-M137 PolarHBondContact O-N 3.16Å; L135-M137 VanDerWaalsContact C-N 3.32Å; L135-M137 HydrophobicContact CB-CG 3.97Å; L135-M137 HydrophobicContact CB-SD 4.02Å; L135-M137 HydrophobicContact CD1-SD 4.33Å; L135-M137 PolarHBondContact O-N 3.21Å; M137-N139 PolarHBondContact O-N 3.12Å; M137-V140 HydrophobicContact CB-CB 4.16Å; M137-V140 HydrophobicContact CB-CG2 4.08Å; M137-V140 HydrophobicContact CE-CG2 3.94Å; M137-V140 WeakPolarHBondContact O-CB 3.14Å; M137-V140 PolarHBondContact O-N 3.23Å; M137-I141 WeakPolarHBondContact O-CG1 3.05Å; M137-I141 PolarHBondContact O-N 3.31Å; M137-I141 VanDerWaalsContact O-N 3.12Å | ||
| 138 | N | 92.3 | Very high | 93.1 | Very high | 120 Ų | 120 | 54.2 Ų | 54.2 | 64% | 0.642 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -48.8 | -37.3 | -173 | -67.4 | -48.5 | 0 | 0 | 0 | 115.4 | Q136 I141 S142 | Q136-N138 PolarHBondContact O-N 3.16Å; N138-I141 PolarHBondContact O-N 2.95Å; N138-S142 PolarHBondContact O-N 3.4Å |
| 139 | N | 89.9 | Confident | 92.9 | Very high | 138 Ų | 138 | 59.2 Ų | 59.2 | 74% | 0.738 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -66.8 | -41.7 | 179.6 | -63.1 | -4 | 0 | 0 | 0 | 111.9 | M137 S142 Y143 | M137-N139 PolarHBondContact O-N 3.12Å; N139-S142 PolarHBondContact O-N 3.05Å; N139-Y143 PolarHBondContact O-N 2.95Å |
| 140 | V | 92.6 | Very high | 92.6 | Very high | 2 Ų | 2 | 59.5 Ų | 59.5 | 1% | 0.012 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64.5 | -43.9 | 175.2 | 178 | 0 | 0 | 0 | 0 | 109.9 | F112 L118 V128 A132 M137 S142 Y143 C144 | F112-V140 HydrophobicContact CD1-CG2 3.7Å; F112-V140 HydrophobicContact CE1-CG2 3.28Å; F112-V140 HydrophobicContact CZ-CG2 3.84Å; L118-V140 HydrophobicContact CD1-CG1 4.49Å; L118-V140 HydrophobicContact CD2-CG1 3.82Å; V128-V140 HydrophobicContact CG1-CG1 4.19Å; A132-V140 HydrophobicContact CB-CB 3.86Å; A132-V140 HydrophobicContact CB-CG1 3.49Å; A132-V140 VanDerWaalsContact CB-CG1 3.49Å; M137-V140 HydrophobicContact CB-CB 4.16Å; M137-V140 HydrophobicContact CB-CG2 4.08Å; M137-V140 HydrophobicContact CE-CG2 3.94Å; M137-V140 WeakPolarHBondContact O-CB 3.14Å; M137-V140 PolarHBondContact O-N 3.23Å; V140-S142 VanDerWaalsContact C-N 3.27Å; V140-S142 PolarHBondContact O-N 3.42Å; V140-Y143 PolarHBondContact O-N 3.31Å; V140-Y143 VanDerWaalsContact O-N 3.13Å; V140-C144 PolarHBondContact O-N 3.06Å; V140-C144 PolarHBondContact O-SG 3.33Å; V140-C144 VanDerWaalsContact O-SG 3.34Å |
| 141 | I | 93.3 | Very high | 92.1 | Very high | 22 Ų | 22 | 58.8 Ų | 58.8 | 11% | 0.113 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60.1 | -36.9 | 176.9 | -57.6 | 167.8 | 0 | 0 | 0 | 111.5 | A132 M137 N138 K145 | A132-I141 HydrophobicContact CB-CG1 3.92Å; M137-I141 WeakPolarHBondContact O-CG1 3.05Å; M137-I141 PolarHBondContact O-N 3.31Å; M137-I141 VanDerWaalsContact O-N 3.12Å; N138-I141 PolarHBondContact O-N 2.95Å; I141-K145 HydrophobicContact CG2-CD 4.24Å; I141-K145 WeakPolarHBondContact O-CD 3.38Å; I141-K145 VanDerWaalsContact O-CG 3.24Å; I141-K145 WeakPolarHBondContact O-CG 3.39Å; I141-K145 PolarHBondContact O-N 2.96Å |
| 142 | S | 92.4 | Very high | 91.3 | Very high | 60 Ų | 60 | 64.2 Ų | 64.2 | 42% | 0.42 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -66.1 | -49.4 | 173 | -159.6 | 0 | 0 | 0 | 0 | 111.1 | N138 N139 V140 C144 K145 D146 | N138-S142 PolarHBondContact O-N 3.4Å; N139-S142 PolarHBondContact O-N 3.05Å; V140-S142 VanDerWaalsContact C-N 3.27Å; V140-S142 PolarHBondContact O-N 3.42Å; S142-C144 PolarHBondContact O-N 3.16Å; S142-K145 WeakPolarHBondContact O-CB 3.22Å; S142-K145 PolarHBondContact O-N 2.96Å; S142-D146 VanDerWaalsContact O-CG 3.28Å; S142-D146 PolarHBondContact O-N 3.1Å; S142-D146 VanDerWaalsContact O-OD2 3.05Å; S142-D146 PolarHBondContact OG-OD2 3.13Å |
| 143 | Y | 92.2 | Very high | 89.9 | Confident | 135 Ų | 135 | 69.1 Ų | 69.1 | 53% | 0.529 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -60.2 | -42.2 | -178.5 | -165.2 | -89.6 | 0 | 0 | 0 | 112.3 | L118 L120 N139 V140 K145 D146 F147 | L118-Y143 HydrophobicContact CB-CD1 4.48Å; L118-Y143 HydrophobicContact CB-CE1 4.43Å; L118-Y143 HydrophobicContact CD2-CD1 3.82Å; L118-Y143 HydrophobicContact CD2-CE1 4.44Å; L120-Y143 HydrophobicContact CD1-CD1 3.58Å; L120-Y143 HydrophobicContact CD1-CE1 3.87Å; L120-Y143 HydrophobicContact CG-CD1 4.3Å; L120-Y143 HydrophobicContact CG-CE1 4.3Å; N139-Y143 PolarHBondContact O-N 2.95Å; V140-Y143 PolarHBondContact O-N 3.31Å; V140-Y143 VanDerWaalsContact O-N 3.13Å; Y143-K145 PolarHBondContact O-N 3.18Å; Y143-D146 PolarHBondContact O-N 3.32Å; Y143-F147 WeakPolarHBondContact O-CB 3.46Å; Y143-F147 PolarHBondContact O-N 2.85Å |
| 144 | C | 93.9 | Very high | 88.2 | Confident | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -61.2 | -42 | 172.4 | -63.8 | 0 | 0 | 0 | 0 | 112.5 | L120 V125 M129 V140 S142 D146 F147 I148 | L120-C144 HydrophobicContact CD1-CB 4.38Å; V125-C144 HydrophobicContact CG2-CB 3.75Å; M129-C144 HydrophobicContact CB-CB 3.82Å; M129-C144 HydrophobicContact CG-CB 4.06Å; M129-C144 HydrophobicContact SD-CB 4.15Å; V140-C144 PolarHBondContact O-N 3.06Å; V140-C144 PolarHBondContact O-SG 3.33Å; V140-C144 VanDerWaalsContact O-SG 3.34Å; S142-C144 PolarHBondContact O-N 3.16Å; C144-D146 VanDerWaalsContact C-N 3.35Å; C144-F147 PolarHBondContact O-N 3.36Å; C144-I148 WeakPolarHBondContact O-CD1 3.42Å; C144-I148 VanDerWaalsContact O-CG1 3.25Å; C144-I148 WeakPolarHBondContact O-CG1 3.35Å; C144-I148 PolarHBondContact O-N 2.89Å |
| 145 | K | 92.3 | Very high | 86.3 | Confident | 111 Ų | 111 | 69.5 Ų | 69.5 | 48% | 0.483 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -63.9 | -40.5 | 176.2 | -75.7 | 169.2 | -178.9 | 175.8 | 0 | 112 | M129 I141 S142 Y143 I148 K149 | M129-K145 HydrophobicContact SD-CG 4.11Å; I141-K145 HydrophobicContact CG2-CD 4.24Å; I141-K145 WeakPolarHBondContact O-CD 3.38Å; I141-K145 VanDerWaalsContact O-CG 3.24Å; I141-K145 WeakPolarHBondContact O-CG 3.39Å; I141-K145 PolarHBondContact O-N 2.96Å; S142-K145 WeakPolarHBondContact O-CB 3.22Å; S142-K145 PolarHBondContact O-N 2.96Å; Y143-K145 PolarHBondContact O-N 3.18Å; K145-I148 PolarHBondContact O-N 3.47Å; K145-K149 VanDerWaalsContact O-CG 3.31Å; K145-K149 WeakPolarHBondContact O-CG 3.48Å; K145-K149 PolarHBondContact O-N 3.06Å |
| 146 | D | 91.5 | Very high | 84.2 | Confident | 68 Ų | 68 | 72.1 Ų | 72.1 | 36% | 0.364 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -74.3 | -31.7 | -178.4 | -61.9 | -38.2 | 0 | 0 | 0 | 111.6 | S142 Y143 C144 K149 S150 | S142-D146 VanDerWaalsContact O-CG 3.28Å; S142-D146 PolarHBondContact O-N 3.1Å; S142-D146 VanDerWaalsContact O-OD2 3.05Å; S142-D146 PolarHBondContact OG-OD2 3.13Å; Y143-D146 PolarHBondContact O-N 3.32Å; C144-D146 VanDerWaalsContact C-N 3.35Å; D146-K149 IonicContact OD1-NZ 3.2Å; D146-K149 PolarHBondContact OD1-NZ 3.46Å; D146-S150 PolarHBondContact O-N 3.39Å; D146-S150 PolarHBondContact O-OG 2.87Å |
| 147 | F | 92.9 | Very high | 82.1 | Confident | 52 Ų | 52 | 74.7 Ų | 74.7 | 23% | 0.228 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -65.7 | -41.4 | 167.6 | -178.4 | -85.2 | 0 | 0 | 0 | 112.9 | L120 V125 Y143 C144 S150 S151 | L120-F147 HydrophobicContact CB-CD1 4.31Å; L120-F147 HydrophobicContact CB-CD2 3.8Å; L120-F147 HydrophobicContact CB-CE1 4.28Å; L120-F147 HydrophobicContact CB-CE2 3.77Å; L120-F147 HydrophobicContact CB-CG 4.08Å; L120-F147 HydrophobicContact CB-CZ 4.01Å; L120-F147 HydrophobicContact CD1-CB 3.73Å; L120-F147 HydrophobicContact CD1-CD1 4.32Å; L120-F147 HydrophobicContact CD1-CD2 4.14Å; L120-F147 HydrophobicContact CD1-CG 3.82Å; V125-F147 HydrophobicContact CB-CD1 4.12Å; V125-F147 HydrophobicContact CB-CE1 4.24Å; V125-F147 HydrophobicContact CG1-CD1 4.25Å; V125-F147 HydrophobicContact CG1-CE1 4.24Å; V125-F147 HydrophobicContact CG2-CD1 3.89Å; Y143-F147 WeakPolarHBondContact O-CB 3.46Å; Y143-F147 PolarHBondContact O-N 2.85Å; C144-F147 PolarHBondContact O-N 3.36Å; F147-S150 PolarHBondContact O-OG 2.78Å; F147-S150 VanDerWaalsContact O-OG 3.08Å; F147-S151 WeakPolarHBondContact O-CB 3.39Å; F147-S151 PolarHBondContact O-N 3.18Å; F147-S151 PolarHBondContact O-OG 3.23Å |
| 148 | I | 91.7 | Very high | 80.1 | Confident | 50 Ų | 50 | 81.3 Ų | 81.3 | 26% | 0.256 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -65.3 | -43.8 | 175.6 | -70.3 | 163.5 | 0 | 0 | 0 | 110.4 | V125 M129 C144 K145 S151 L152 | V125-I148 HydrophobicContact CG1-CD1 4.42Å; V125-I148 HydrophobicContact CG1-CG1 4.07Å; V125-I148 HydrophobicContact CG2-CD1 4.07Å; V125-I148 HydrophobicContact CG2-CG1 3.96Å; M129-I148 HydrophobicContact CE-CD1 3.75Å; M129-I148 HydrophobicContact SD-CD1 4.13Å; C144-I148 WeakPolarHBondContact O-CD1 3.42Å; C144-I148 VanDerWaalsContact O-CG1 3.25Å; C144-I148 WeakPolarHBondContact O-CG1 3.35Å; C144-I148 PolarHBondContact O-N 2.89Å; K145-I148 PolarHBondContact O-N 3.47Å; I148-S151 PolarHBondContact O-N 2.72Å; I148-L152 HydrophobicContact CG2-CD1 3.92Å; I148-L152 WeakPolarHBondContact O-CG 3.46Å; I148-L152 PolarHBondContact O-N 3.46Å; I148-L152 VanDerWaalsContact O-N 3.1Å |
| 149 | K | 89.9 | Confident | 77.9 | Confident | 105 Ų | 105 | 80.9 Ų | 80.9 | 46% | 0.457 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -58 | -53 | 174.3 | -71.2 | 170.4 | -160.5 | 163.9 | 0 | 111.6 | K145 D146 S151 L152 E153 | K145-K149 VanDerWaalsContact O-CG 3.31Å; K145-K149 WeakPolarHBondContact O-CG 3.48Å; K145-K149 PolarHBondContact O-N 3.06Å; D146-K149 IonicContact OD1-NZ 3.2Å; D146-K149 PolarHBondContact OD1-NZ 3.46Å; K149-S151 VanDerWaalsContact C-N 3.28Å; K149-S151 PolarHBondContact O-N 2.8Å; K149-L152 CarbonylContact O-C 3.6Å; K149-L152 PolarHBondContact O-N 3.4Å; K149-E153 WeakPolarHBondContact O-CB 3.36Å; K149-E153 WeakPolarHBondContact O-CG 3.35Å; K149-E153 PolarHBondContact O-N 3.35Å |
| 150 | S | 88 | Confident | 75.6 | Confident | 54 Ų | 54 | 81.5 Ų | 81.5 | 38% | 0.378 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -62.7 | -36.8 | -177.1 | 62.8 | 0 | 0 | 0 | 0 | 112.2 | D146 F147 L152 E153 I154 | D146-S150 PolarHBondContact O-N 3.39Å; D146-S150 PolarHBondContact O-OG 2.87Å; F147-S150 PolarHBondContact O-OG 2.78Å; F147-S150 VanDerWaalsContact O-OG 3.08Å; S150-L152 VanDerWaalsContact C-N 3.33Å; S150-L152 PolarHBondContact O-N 3.4Å; S150-E153 PolarHBondContact O-N 3.5Å; S150-I154 WeakPolarHBondContact O-CD1 3.43Å; S150-I154 VanDerWaalsContact O-CG1 3.23Å; S150-I154 WeakPolarHBondContact O-CG1 3.36Å; S150-I154 PolarHBondContact O-N 2.83Å |
| 151 | S | 83.8 | Confident | 73.4 | Confident | 53 Ų | 53 | 86.7 Ų | 86.7 | 37% | 0.371 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -61.4 | -38.7 | 173.3 | -57.9 | 0 | 0 | 0 | 0 | 112.7 | F147 I148 K149 | F147-S151 WeakPolarHBondContact O-CB 3.39Å; F147-S151 PolarHBondContact O-N 3.18Å; F147-S151 PolarHBondContact O-OG 3.23Å; I148-S151 PolarHBondContact O-N 2.72Å; K149-S151 VanDerWaalsContact C-N 3.28Å; K149-S151 PolarHBondContact O-N 2.8Å |
| 152 | L | 76.7 | Confident | 71 | Confident | 115 Ų | 115 | 94 Ų | 94 | 60% | 0.602 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -79.4 | -35.1 | 177.6 | -66.5 | 169.6 | 0 | 0 | 0 | 112.7 | I148 K149 S150 I154 S155 A156 | I148-L152 HydrophobicContact CG2-CD1 3.92Å; I148-L152 WeakPolarHBondContact O-CG 3.46Å; I148-L152 PolarHBondContact O-N 3.46Å; I148-L152 VanDerWaalsContact O-N 3.1Å; K149-L152 CarbonylContact O-C 3.6Å; K149-L152 PolarHBondContact O-N 3.4Å; S150-L152 VanDerWaalsContact C-N 3.33Å; S150-L152 PolarHBondContact O-N 3.4Å; L152-I154 PolarHBondContact O-N 2.86Å; L152-S155 WeakPolarHBondContact O-CB 3.08Å; L152-S155 PolarHBondContact O-N 2.99Å; L152-A156 PolarHBondContact O-N 3.35Å |
| 153 | E | 65.6 | Low | 68.2 | Low | 104 Ų | 104 | 100.5 Ų | 100.5 | 49% | 0.486 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -70.2 | -19.1 | 175 | -74.4 | 176.4 | -148.5 | 0 | 0 | 113.1 | K149 S150 K157 | K149-E153 WeakPolarHBondContact O-CB 3.36Å; K149-E153 WeakPolarHBondContact O-CG 3.35Å; K149-E153 PolarHBondContact O-N 3.35Å; S150-E153 PolarHBondContact O-N 3.5Å; E153-K157 WeakPolarHBondContact O-CD 3.47Å; E153-K157 WeakPolarHBondContact O-CG 3.48Å |
| 154 | I | 59.3 | Low | 65.2 | Low | 103 Ų | 103 | 102.4 Ų | 102.4 | 53% | 0.528 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -71 | -50.6 | 166.9 | -71.8 | 161.4 | 0 | 0 | 0 | 109.5 | S150 L152 A156 K157 E158 | S150-I154 WeakPolarHBondContact O-CD1 3.43Å; S150-I154 VanDerWaalsContact O-CG1 3.23Å; S150-I154 WeakPolarHBondContact O-CG1 3.36Å; S150-I154 PolarHBondContact O-N 2.83Å; L152-I154 PolarHBondContact O-N 2.86Å; I154-A156 VanDerWaalsContact C-N 3.35Å; I154-A156 PolarHBondContact O-N 3.37Å; I154-K157 PolarHBondContact O-N 3.35Å; I154-K157 VanDerWaalsContact O-N 3.1Å; I154-E158 PolarHBondContact O-N 2.84Å |
| 155 | S | 53.6 | Low | 62.2 | Low | 60 Ų | 60 | 106.2 Ų | 106.2 | 42% | 0.42 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -55 | -49 | 175.5 | -167.5 | 0 | 0 | 0 | 0 | 111.7 | L152 K157 E158 D159 | L152-S155 WeakPolarHBondContact O-CB 3.08Å; L152-S155 PolarHBondContact O-N 2.99Å; S155-K157 PolarHBondContact O-N 2.78Å; S155-E158 PolarHBondContact O-N 3.19Å; S155-D159 PolarHBondContact O-N 3.34Å; S155-D159 VanDerWaalsContact O-N 3.12Å; S155-D159 VanDerWaalsContact O-OD2 3.13Å |
| 156 | A | 49.3 | Very low | 59.1 | Low | 56 Ų | 56 | 109.2 Ų | 109.2 | 46% | 0.463 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -61.7 | -18.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | L152 I154 | L152-A156 PolarHBondContact O-N 3.35Å; I154-A156 VanDerWaalsContact C-N 3.35Å; I154-A156 PolarHBondContact O-N 3.37Å |
| 157 | K | 50 | Low | 56.1 | Low | 151 Ų | 151 | 111.5 Ų | 111.5 | 66% | 0.657 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -89.1 | -13.2 | 174.3 | -75 | 169.8 | -175 | 155.4 | 0 | 113.6 | E153 I154 S155 | E153-K157 WeakPolarHBondContact O-CD 3.47Å; E153-K157 WeakPolarHBondContact O-CG 3.48Å; I154-K157 PolarHBondContact O-N 3.35Å; I154-K157 VanDerWaalsContact O-N 3.1Å; S155-K157 PolarHBondContact O-N 2.78Å |
| 158 | E | 51 | Low | 52.9 | Low | 149 Ų | 149 | 118.3 Ų | 118.3 | 70% | 0.696 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -90.5 | -31.4 | 171.8 | -62.9 | -175.1 | 170.7 | 0 | 0 | 111 | I154 S155 | I154-E158 PolarHBondContact O-N 2.84Å; S155-E158 PolarHBondContact O-N 3.19Å |
| 159 | D | 45.5 | Very low | 50 | Low | 111 Ų | 111 | 123.1 Ų | 123.1 | 59% | 0.594 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -69 | -31.5 | 177.9 | -68.9 | -52 | 0 | 0 | 0 | 114 | S155 V161 H162 | S155-D159 PolarHBondContact O-N 3.34Å; S155-D159 VanDerWaalsContact O-N 3.12Å; S155-D159 VanDerWaalsContact O-OD2 3.13Å; D159-V161 PolarHBondContact O-N 2.94Å; D159-H162 PolarHBondContact O-N 3.47Å |
| 160 | D | 42.1 | Very low | 46.9 | Very low | 151 Ų | 151 | 122.7 Ų | 122.7 | 81% | 0.807 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75 | 10.9 | -170.1 | -132.4 | 5.6 | 0 | 0 | 0 | 114.9 | ||
| 161 | V | 47 | Very low | 44 | Very low | 110 Ų | 110 | 130.1 Ų | 130.1 | 67% | 0.667 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.9 | -14.9 | -178 | -174.2 | 0 | 0 | 0 | 0 | 112.9 | D159 | D159-V161 PolarHBondContact O-N 2.94Š|
| 162 | H | 41.5 | Very low | 41.9 | Very low | 177 Ų | 177 | 133.7 Ų | 133.7 | 82% | 0.819 | 70% | 0.702 | S | S | * | * | trans | -130 | 50.7 | -172.2 | -92.6 | -63.3 | 0 | 0 | 0 | 115.8 | D159 | D159-H162 PolarHBondContact O-N 3.47Š| ||
| 163 | Y | 33.4 | Very low | 39.6 | Very low | 196 Ų | 196 | 137.8 Ų | 137.8 | 77% | 0.769 | 72% | 0.718 | S | S | * | * | trans | -130.6 | 78.1 | 159.9 | -156 | -95.2 | 0 | 0 | 0 | 114.1 | ||||
| 164 | L | 30.7 | Very low | 37.7 | Very low | 174 Ų | 174 | 137.7 Ų | 137.7 | 91% | 0.911 | 74% | 0.735 | S | S | * | * | trans | -105.9 | 105.5 | 157.4 | -74.5 | -179.4 | 0 | 0 | 0 | 109.4 | ||||
| 165 | S | 30.6 | Very low | 36.1 | Very low | 80 Ų | 80 | 136.4 Ų | 136.4 | 56% | 0.559 | 75% | 0.748 | S | S | * | * | trans | -68.6 | 137.2 | 177.2 | -177.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 166 | L | 26.8 | Very low | 35 | Very low | 174 Ų | 174 | 144.4 Ų | 144.4 | 91% | 0.911 | 77% | 0.769 | S | S | * | * | trans | -143.1 | 90.9 | 171.3 | -76.7 | -179.1 | 0 | 0 | 0 | 111.6 | ||||
| 167 | S | 27.9 | Very low | 33.9 | Very low | 116 Ų | 116 | 148.9 Ų | 148.9 | 81% | 0.811 | 78% | 0.78 | S | S | * | * | trans | -157.6 | 68.2 | 157.7 | 68.9 | 0 | 0 | 0 | 0 | 113 | ||||
| 168 | E | 27.1 | Very low | 32.9 | Very low | 195 Ų | 195 | 147.9 Ų | 147.9 | 91% | 0.911 | 78% | 0.782 | S | S | * | * | trans | -139.5 | 129.8 | 161.1 | -156.5 | 161.7 | -145.2 | 0 | 0 | 111.1 | ||||
| 169 | N | 30.4 | Very low | 31.8 | Very low | 151 Ų | 151 | 147.4 Ų | 147.4 | 81% | 0.807 | 78% | 0.784 | S | S | * | * | trans | -99.1 | 117.1 | -172.8 | -85 | -31.6 | 0 | 0 | 0 | 111 | ||||
| 170 | S | 25.6 | Very low | 31 | Very low | 96 Ų | 96 | 145.6 Ų | 145.6 | 67% | 0.671 | 78% | 0.784 | S | S | * | * | trans | -159.9 | 108 | 152.3 | 37.7 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 171 | Y | 26.4 | Very low | 30.6 | Very low | 211 Ų | 211 | 146.2 Ų | 146.2 | 83% | 0.827 | 79% | 0.786 | S | S | * | * | trans | 37.8 | 142.8 | 139.2 | -32.1 | -62.9 | 0 | 0 | 0 | 121.9 | ||||
| 172 | P | 40 | Very low | 29.7 | Very low | 128 Ų | 128 | 146.7 Ų | 146.7 | 83% | 0.831 | 79% | 0.785 | S | S | * | * | trans | -93.4 | 159.6 | -162.7 | 37.9 | -37.5 | 0 | 0 | 0 | 115.3 | ||||
| 173 | Q | 28.8 | Very low | 29.2 | Very low | 200 Ų | 200 | 145.4 Ų | 145.4 | 94% | 0.935 | 78% | 0.779 | S | S | * | * | trans | -138.3 | 153.1 | 154.8 | -163.5 | 141.5 | -15.6 | 0 | 0 | 110.7 | ||||
| 174 | A | 25.5 | Very low | 29.1 | Very low | 102 Ų | 102 | 144 Ų | 144 | 84% | 0.843 | 78% | 0.78 | S | S | * | * | trans | -114.9 | 161.6 | -156.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 175 | G | 25.8 | Very low | 29 | Very low | 77 Ų | 77 | 140.3 Ų | 140.3 | 79% | 0.794 | 77% | 0.774 | S | S | * | * | trans | 114.5 | 136.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 176 | R | 28.6 | Very low | 28.8 | Very low | 228 Ų | 228 | 141.1 Ų | 141.1 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | cis | -157.1 | 165.5 | 3.6 | -164.5 | 171.5 | -176.8 | 175 | -0.5 | 110.7 | ||||
| 177 | E | 27.3 | Very low | 28.8 | Very low | 150 Ų | 150 | 139.9 Ų | 139.9 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | trans | -59.2 | 165.7 | 172.2 | -46 | 100.4 | 146.9 | 0 | 0 | 111.8 | ||||
| 178 | D | 28.2 | Very low | 28.8 | Very low | 129 Ų | 129 | 139.6 Ų | 139.6 | 69% | 0.69 | 78% | 0.783 | S | S | * | * | cis | -166 | 163.5 | 24.3 | -148.9 | -2.4 | 0 | 0 | 0 | 113.8 | ||||
| 179 | N | 29.1 | Very low | 28.9 | Very low | 139 Ų | 139 | 137.3 Ų | 137.3 | 74% | 0.743 | 78% | 0.783 | S | S | * | * | trans | 39 | 155.7 | 155.1 | -72.5 | -51.6 | 0 | 0 | 0 | 123.5 | ||||
| 180 | A | 29.2 | Very low | 29 | Very low | 73 Ų | 73 | 135.3 Ų | 135.3 | 60% | 0.603 | 78% | 0.781 | S | S | * | * | cis | 168.1 | 170.1 | -30 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 181 | I | 33.1 | Very low | 29.6 | Very low | 165 Ų | 165 | 136.4 Ų | 136.4 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | trans | 73.3 | 134 | 168.7 | -61.9 | 170.7 | 0 | 0 | 0 | 115.3 | ||||
| 182 | D | 28.3 | Very low | 29.8 | Very low | 120 Ų | 120 | 132.4 Ų | 132.4 | 64% | 0.642 | 79% | 0.785 | S | S | * | * | cis | -165.6 | -161.1 | -23.6 | -162.8 | -102.3 | 0 | 0 | 0 | 108.5 | ||||
| 183 | H | 31.4 | Very low | 29.4 | Very low | 150 Ų | 150 | 132.5 Ų | 132.5 | 69% | 0.694 | 79% | 0.789 | S | S | * | * | trans | 79.5 | 90.4 | 160.5 | -66.2 | 4.3 | 0 | 0 | 0 | 119.4 | ||||
| 184 | Q | 30.7 | Very low | 29.5 | Very low | 167 Ų | 167 | 126.9 Ų | 126.9 | 78% | 0.78 | 78% | 0.777 | S | S | * | * | 52.3 | 137.1 | 109.7 | -66.4 | 174.5 | 42.8 | 0 | 0 | 119.7 | |||||
| 185 | A | 27.4 | Very low | 29.7 | Very low | 96 Ų | 96 | 128.4 Ų | 128.4 | 79% | 0.793 | 77% | 0.77 | S | S | * | * | cis | -158.6 | 168.7 | -3.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 186 | A | 28.2 | Very low | 29.8 | Very low | 97 Ų | 97 | 136 Ų | 136 | 80% | 0.802 | 78% | 0.775 | S | S | * | * | trans | -95.4 | 142.1 | -176 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 187 | T | 26 | Very low | 29.9 | Very low | 148 Ų | 148 | 130.2 Ų | 130.2 | 91% | 0.908 | 77% | 0.765 | S | S | * | * | trans | -146.7 | 142.8 | 150.8 | 25 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 188 | S | 28.3 | Very low | 29.8 | Very low | 110 Ų | 110 | 131.5 Ų | 131.5 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | trans | -84.1 | 141.8 | -176.1 | 53.6 | 0 | 0 | 0 | 0 | 114 | ||||
| 189 | T | 28.6 | Very low | 29.7 | Very low | 147 Ų | 147 | 132 Ų | 132 | 90% | 0.902 | 77% | 0.774 | S | S | * | * | trans | -162.8 | 152.3 | 135.6 | 14.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 190 | S | 32.6 | Very low | 29.5 | Very low | 109 Ų | 109 | 130.1 Ų | 130.1 | 76% | 0.762 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 171.2 | 177.1 | -33.1 | 0 | 0 | 0 | 0 | 112.5 | ||
| 191 | P | 38.1 | Very low | 29.5 | Very low | 119 Ų | 119 | 131.1 Ų | 131.1 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 160.2 | -165.6 | 33.2 | -36.3 | 0 | 0 | 0 | 114.6 | ||
| 192 | P | 30.3 | Very low | 29.2 | Very low | 126 Ų | 126 | 134.8 Ų | 134.8 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 120.3 | 177.6 | 32.7 | -32.9 | 0 | 0 | 0 | 112.7 | ||
| 193 | S | 32.6 | Very low | 29.9 | Very low | 130 Ų | 130 | 134.2 Ų | 134.2 | 91% | 0.909 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 134.5 | 159.3 | -62.6 | 0 | 0 | 0 | 0 | 109.9 | ||
| 194 | A | 30.6 | Very low | 29.5 | Very low | 83 Ų | 83 | 136.7 Ų | 136.7 | 69% | 0.686 | 79% | 0.791 | S | S | * | * | trans | -132.7 | 114.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 195 | L | 28.4 | Very low | 29.2 | Very low | 133 Ų | 133 | 134.4 Ų | 134.4 | 70% | 0.696 | 79% | 0.794 | S | S | * | * | trans | 59.1 | 138.2 | 138.5 | -56.8 | 165.6 | 0 | 0 | 0 | 117.9 | ||||
| 196 | W | 29.6 | Very low | 29 | Very low | 238 Ų | 238 | 135.5 Ų | 135.5 | 90% | 0.902 | 80% | 0.796 | S | S | * | * | cis | -135.3 | 134.1 | 33.2 | -70.5 | 73.9 | 0 | 0 | 0 | 113.8 | ||||
| 197 | T | 28.9 | Very low | 28.8 | Very low | 106 Ų | 106 | 140.3 Ų | 140.3 | 65% | 0.65 | 79% | 0.793 | S | S | * | * | trans | -104.9 | 139.7 | 155.9 | 50.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 198 | H | 27.1 | Very low | 28.8 | Very low | 176 Ų | 176 | 142.8 Ų | 142.8 | 82% | 0.815 | 79% | 0.787 | S | S | * | * | -165.6 | 121.6 | 117.7 | -115.1 | -70.5 | 0 | 0 | 0 | 113.8 | |||||
| 199 | D | 24.2 | Very low | 28.6 | Very low | 141 Ų | 141 | 145.1 Ų | 145.1 | 75% | 0.754 | 79% | 0.79 | S | S | * | * | trans | -87.1 | 163.9 | 152.8 | 178.2 | 26.7 | 0 | 0 | 0 | 109.1 | ||||
| 200 | S | 27 | Very low | 28.5 | Very low | 99 Ų | 99 | 144 Ų | 144 | 69% | 0.692 | 78% | 0.783 | S | S | * | * | trans | -147.4 | 67.6 | 174.8 | -69.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 201 | S | 28.3 | Very low | 28.1 | Very low | 94 Ų | 94 | 147.9 Ų | 147.9 | 66% | 0.657 | 79% | 0.786 | S | S | * | * | trans | 34.5 | 114 | 142 | 62.8 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 202 | R | 27.5 | Very low | 27.5 | Very low | 242 Ų | 242 | 150.6 Ų | 150.6 | 91% | 0.913 | 79% | 0.789 | S | S | * | * | 82.2 | 168.8 | 86.4 | -112.4 | -160.4 | 167.1 | -167.5 | -1.2 | 114.6 | |||||
| 203 | P | 41.6 | Very low | 27.4 | Very low | 107 Ų | 107 | 152.2 Ų | 152.2 | 70% | 0.695 | 79% | 0.79 | S | S | * | * | -127.1 | 176.1 | -121.9 | 41.8 | -24.7 | 0 | 0 | 0 | 115.4 | |||||
| 204 | Q | 24 | Very low | 27 | Very low | 202 Ų | 202 | 152.8 Ų | 152.8 | 94% | 0.944 | 78% | 0.783 | S | S | * | * | trans | -141.5 | 155 | 157.6 | -108.1 | 178.8 | 8.9 | 0 | 0 | 112 | ||||
| 205 | S | 23.4 | Very low | 27 | Very low | 120 Ų | 120 | 157.6 Ų | 157.6 | 84% | 0.839 | 80% | 0.796 | S | S | * | * | trans | -139.3 | 136 | -177.8 | 178.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 206 | S | 23.1 | Very low | 26.9 | Very low | 118 Ų | 118 | 158.5 Ų | 158.5 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | trans | -152.6 | 171.7 | 161.3 | -162.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 207 | R | 25.6 | Very low | 26.9 | Very low | 199 Ų | 199 | 151.4 Ų | 151.4 | 75% | 0.751 | 79% | 0.794 | S | S | * | * | trans | -113.8 | -176.5 | -160.5 | -54 | 174.9 | -173.5 | 154.6 | 0 | 112.8 | ||||
| 208 | Y | 24.7 | Very low | 26.9 | Very low | 199 Ų | 199 | 150.4 Ų | 150.4 | 78% | 0.78 | 80% | 0.796 | S | S | * | * | trans | 80.4 | 143.9 | 170.9 | -52.2 | -75.7 | 0 | 0 | 0 | 114.5 | ||||
| 209 | L | 25 | Very low | 26.9 | Very low | 159 Ų | 159 | 147.8 Ų | 147.8 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | cis | -146.8 | 155.5 | 3.9 | -134.1 | 173.3 | 0 | 0 | 0 | 110.5 | ||||
| 210 | V | 26.7 | Very low | 27.1 | Very low | 125 Ų | 125 | 148.2 Ų | 148.2 | 76% | 0.758 | 79% | 0.793 | S | S | * | * | trans | -78.6 | 138.5 | 173.7 | 174.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 211 | K | 22.7 | Very low | 27.2 | Very low | 190 Ų | 190 | 151.1 Ų | 151.1 | 83% | 0.826 | 79% | 0.794 | S | S | * | * | trans | -159.1 | 114.8 | 149.3 | -130.4 | 178.7 | -178.1 | -176.6 | 0 | 113 | ||||
| 212 | E | 26.8 | Very low | 27.3 | Very low | 176 Ų | 176 | 152.6 Ų | 152.6 | 82% | 0.822 | 79% | 0.79 | S | S | * | * | trans | -83.5 | 159.6 | 155.6 | -61.4 | 178.6 | 139.6 | 0 | 0 | 109.4 | ||||
| 213 | L | 28 | Very low | 27.1 | Very low | 159 Ų | 159 | 146.9 Ų | 146.9 | 83% | 0.832 | 78% | 0.778 | S | S | * | * | trans | -165.7 | 134.9 | 148.2 | -103.2 | -177 | 0 | 0 | 0 | 109.4 | ||||
| 214 | D | 25 | Very low | 26.4 | Very low | 143 Ų | 143 | 148.8 Ų | 148.8 | 77% | 0.765 | 78% | 0.781 | S | S | * | * | trans | -73.7 | 164.1 | 177.2 | -50 | -89.1 | 0 | 0 | 0 | 113.6 | ||||
| 215 | L | 30.3 | Very low | 26.5 | Very low | 184 Ų | 184 | 144.4 Ų | 144.4 | 96% | 0.963 | 77% | 0.773 | S | S | * | * | trans | -150.8 | 140 | 143 | -141 | 73.4 | 0 | 0 | 0 | 110.1 | ||||
| 216 | D | 25.9 | Very low | 26.5 | Very low | 152 Ų | 152 | 144 Ų | 144 | 81% | 0.813 | 77% | 0.77 | S | S | * | * | trans | -137.7 | 159.6 | -161.4 | -170.2 | 17.1 | 0 | 0 | 0 | 113 | ||||
| 217 | A | 29.3 | Very low | 27.2 | Very low | 89 Ų | 89 | 144.2 Ų | 144.2 | 74% | 0.736 | 77% | 0.769 | S | S | * | * | trans | 63.6 | 163.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 218 | A | 28.5 | Very low | 27.3 | Very low | 85 Ų | 85 | 143.5 Ų | 143.5 | 70% | 0.702 | 77% | 0.774 | S | S | * | * | cis | -149 | 133.6 | 3.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 219 | V | 28.4 | Very low | 27.9 | Very low | 120 Ų | 120 | 138.8 Ų | 138.8 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | 95.4 | 123.3 | 86.9 | 165.9 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 220 | L | 28.5 | Very low | 27.9 | Very low | 150 Ų | 150 | 136.2 Ų | 136.2 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | trans | 159.7 | 109.1 | 141.9 | -85.4 | 178.1 | 0 | 0 | 0 | 107 | ||||
| 221 | K | 28.6 | Very low | 27.9 | Very low | 161 Ų | 161 | 139.7 Ų | 139.7 | 70% | 0.7 | 77% | 0.771 | S | S | * | * | 64.4 | 133.5 | 74 | -69.9 | -176.5 | 164.5 | -114.7 | 0 | 113.5 | |||||
| 222 | Q | 29.6 | Very low | 28.1 | Very low | 124 Ų | 124 | 138.8 Ų | 138.8 | 58% | 0.579 | 77% | 0.77 | S | S | * | * | cis | -165.8 | 158.3 | -4.4 | -124.8 | 172.8 | -93.8 | 0 | 0 | 109.6 | ||||
| 223 | D | 23.6 | Very low | 28 | Very low | 122 Ų | 122 | 137.8 Ų | 137.8 | 65% | 0.652 | 77% | 0.765 | S | S | * | * | trans | 59 | 162.3 | 146.9 | -58.1 | -17.5 | 0 | 0 | 0 | 121.2 | ||||
| 224 | L | 27.3 | Very low | 27.7 | Very low | 147 Ų | 147 | 134.9 Ų | 134.9 | 77% | 0.77 | 76% | 0.758 | S | S | * | * | cis | -170.5 | 163.7 | -43.7 | -116.2 | 168.7 | 0 | 0 | 0 | 108.5 | ||||
| 225 | S | 24.9 | Very low | 28.8 | Very low | 110 Ų | 110 | 133.1 Ų | 133.1 | 77% | 0.769 | 75% | 0.754 | S | S | * | * | trans | 81.7 | 141.8 | 159.5 | -52.9 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 226 | S | 25.1 | Very low | 28.5 | Very low | 113 Ų | 113 | 132.2 Ų | 132.2 | 79% | 0.79 | 75% | 0.745 | S | S | * | * | trans | -98.5 | -172.2 | 165.5 | -46.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 227 | P | 37.8 | Very low | 28.5 | Very low | 122 Ų | 122 | 131.1 Ų | 131.1 | 79% | 0.792 | 74% | 0.744 | S | S | * | * | cis | -140.8 | -166.8 | 3.6 | 43.3 | -21.8 | 0 | 0 | 0 | 117.1 | ||||
| 228 | Q | 26.2 | Very low | 28.3 | Very low | 183 Ų | 183 | 135.4 Ų | 135.4 | 86% | 0.855 | 75% | 0.748 | S | S | * | * | trans | -18.7 | 174.2 | 159.4 | -101.6 | -176.6 | -12.2 | 0 | 0 | 121.9 | ||||
| 229 | P | 37.5 | Very low | 28.1 | Very low | 100 Ų | 100 | 137.9 Ų | 137.9 | 65% | 0.649 | 76% | 0.755 | S | S | * | * | cis | -143.7 | 176 | -0.6 | 37.9 | -16.4 | 0 | 0 | 0 | 119.2 | ||||
| 230 | S | 25.1 | Very low | 27.9 | Very low | 105 Ų | 105 | 139.8 Ų | 139.8 | 73% | 0.734 | 76% | 0.76 | S | S | * | * | trans | 44.2 | 140.4 | 141 | 66.3 | 0 | 0 | 0 | 0 | 125.7 | ||||
| 231 | Q | 27.6 | Very low | 28.8 | Very low | 199 Ų | 199 | 137.8 Ų | 137.8 | 93% | 0.93 | 76% | 0.756 | S | S | * | * | trans | -154.9 | 178.3 | 152.7 | -114.4 | 173.3 | 44.8 | 0 | 0 | 113.5 | ||||
| 232 | Q | 26.9 | Very low | 28.4 | Very low | 171 Ų | 171 | 137.6 Ų | 137.6 | 80% | 0.799 | 76% | 0.762 | S | S | * | * | trans | -141.6 | 168.4 | -156.7 | -53.6 | 171.3 | -58.1 | 0 | 0 | 116.9 | ||||
| 233 | H | 25.1 | Very low | 28.2 | Very low | 154 Ų | 154 | 135.4 Ų | 135.4 | 71% | 0.713 | 77% | 0.766 | S | S | * | * | trans | 81.6 | 116.8 | 144.4 | -88.9 | -65.5 | 0 | 0 | 0 | 125.4 | ||||
| 234 | S | 21.2 | Very low | 28.4 | Very low | 98 Ų | 98 | 139.2 Ų | 139.2 | 69% | 0.685 | 78% | 0.78 | S | S | * | * | 59.3 | 168.3 | 121.4 | -64.8 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 235 | P | 46.9 | Very low | 28.4 | Very low | 106 Ų | 106 | 140.5 Ų | 140.5 | 69% | 0.688 | 78% | 0.782 | S | S | * | * | cis | -110.6 | -140.9 | -1.3 | 29.9 | -7.2 | 0 | 0 | 0 | 112 | ||||
| 236 | E | 24 | Very low | 28.7 | Very low | 166 Ų | 166 | 140.5 Ų | 140.5 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | cis | -166.2 | -178.4 | -0.5 | -141.7 | 150.7 | 73.2 | 0 | 0 | 107.7 | ||||
| 237 | V | 26.6 | Very low | 28.7 | Very low | 129 Ų | 129 | 142.3 Ų | 142.3 | 78% | 0.782 | 78% | 0.775 | S | S | * | * | cis | -139.6 | -126.4 | 6.7 | -160.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 238 | E | 24.8 | Very low | 28.1 | Very low | 178 Ų | 178 | 145.3 Ų | 145.3 | 83% | 0.832 | 78% | 0.776 | S | S | * | * | trans | -141.4 | 160.2 | -171 | -60.6 | -170.5 | 132.5 | 0 | 0 | 115.9 | ||||
| 239 | V | 23.9 | Very low | 28 | Very low | 138 Ų | 138 | 140.6 Ų | 140.6 | 84% | 0.836 | 77% | 0.768 | S | S | * | * | 159.1 | 150.6 | 126.6 | 163 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 240 | L | 24.4 | Very low | 27.6 | Very low | 160 Ų | 160 | 147.2 Ų | 147.2 | 84% | 0.838 | 78% | 0.78 | S | S | * | * | trans | -126.1 | -178.1 | -171 | -83.8 | 173.3 | 0 | 0 | 0 | 111.6 | ||||
| 241 | P | 47.8 | Very low | 28.1 | Very low | 107 Ų | 107 | 147.7 Ų | 147.7 | 70% | 0.695 | 78% | 0.78 | S | S | * | * | cis | -128.6 | -173.6 | -19.2 | 38 | -20.1 | 0 | 0 | 0 | 113.3 | ||||
| 242 | D | 20.8 | Very low | 27.9 | Very low | 157 Ų | 157 | 149.5 Ų | 149.5 | 84% | 0.84 | 78% | 0.779 | S | S | * | * | 175.7 | 167.9 | 103 | -135.3 | -26.7 | 0 | 0 | 0 | 115.3 | |||||
| 243 | A | 25.4 | Very low | 27.8 | Very low | 79 Ų | 79 | 145 Ų | 145 | 65% | 0.653 | 77% | 0.771 | S | S | * | * | trans | 74.9 | 92.5 | 158.5 | 0 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 244 | E | 26.1 | Very low | 27.8 | Very low | 202 Ų | 202 | 146.4 Ų | 146.4 | 94% | 0.944 | 78% | 0.777 | S | S | * | * | trans | 66 | 110.9 | 132.3 | -53 | -154.1 | 119.8 | 0 | 0 | 124.9 | ||||
| 245 | E | 27.5 | Very low | 28.1 | Very low | 174 Ų | 174 | 153.7 Ų | 153.7 | 81% | 0.813 | 79% | 0.79 | S | S | * | * | trans | -147.4 | 135.3 | 147.8 | -175.4 | -171.6 | -132 | 0 | 0 | 110.5 | ||||
| 246 | P | 31.1 | Very low | 27.3 | Very low | 109 Ų | 109 | 159.6 Ų | 159.6 | 71% | 0.708 | 80% | 0.799 | S | S | * | * | trans | -101.1 | 130.8 | 166.2 | 35.4 | -28.5 | 0 | 0 | 0 | 111.9 | ||||
| 247 | Q | 25.7 | Very low | 27.5 | Very low | 152 Ų | 152 | 163.8 Ų | 163.8 | 71% | 0.71 | 81% | 0.807 | S | S | * | * | 59.9 | 134.4 | 64.6 | -60.8 | -176.7 | 40.6 | 0 | 0 | 113.3 | |||||
| 248 | F | 25.2 | Very low | 27.6 | Very low | 185 Ų | 185 | 167.3 Ų | 167.3 | 81% | 0.811 | 81% | 0.812 | S | S | * | * | cis | -167.8 | 172.2 | 2.7 | -115.3 | -34.1 | 0 | 0 | 0 | 108.5 | ||||
| 249 | A | 23.4 | Very low | 27.7 | Very low | 83 Ų | 83 | 162.5 Ų | 162.5 | 69% | 0.686 | 81% | 0.811 | S | S | * | * | cis | -160.6 | -137.4 | -1.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 250 | R | 30.1 | Very low | 28 | Very low | 239 Ų | 239 | 161.2 Ų | 161.2 | 90% | 0.902 | 81% | 0.814 | S | S | * | * | trans | -135.6 | -166.6 | 170.8 | -77.5 | -179.6 | 152.6 | -169.3 | -4.7 | 107 | ||||
| 251 | P | 35.1 | Very low | 28.2 | Very low | 115 Ų | 115 | 157.1 Ų | 157.1 | 75% | 0.747 | 81% | 0.811 | S | S | * | * | cis | -148.5 | -174.1 | 6 | 41.9 | -19.1 | 0 | 0 | 0 | 119.2 | ||||
| 252 | R | 22.7 | Very low | 27.5 | Very low | 238 Ų | 238 | 162.2 Ų | 162.2 | 90% | 0.898 | 82% | 0.822 | S | S | * | * | trans | 91.1 | 123.4 | 139.1 | -114.2 | -173 | 175.6 | 172.7 | -1 | 123.7 | ||||
| 253 | A | 24.9 | Very low | 27.9 | Very low | 76 Ų | 76 | 166.3 Ų | 166.3 | 63% | 0.628 | 83% | 0.826 | S | S | * | * | trans | 74.7 | 122.4 | 132.9 | 0 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 254 | E | 26.7 | Very low | 28.4 | Very low | 183 Ų | 183 | 172.2 Ų | 172.2 | 86% | 0.855 | 84% | 0.837 | S | S | * | * | trans | 61.8 | 118.8 | 136.5 | -61.8 | -178.1 | 135.6 | 0 | 0 | 122.5 | ||||
| 255 | R | 27.2 | Very low | 28.6 | Very low | 251 Ų | 251 | 168.8 Ų | 168.8 | 95% | 0.947 | 83% | 0.832 | S | S | * | * | -166.5 | 150.5 | 118.4 | -104 | 157 | -163.2 | -122.9 | 0.5 | 114 | |||||
| 256 | R | 29.3 | Very low | 28.5 | Very low | 231 Ų | 231 | 170.4 Ų | 170.4 | 87% | 0.872 | 83% | 0.832 | S | S | * | * | trans | -60.9 | 151.2 | 174.3 | -67.3 | 168.5 | 164.8 | 166.1 | -6.3 | 112.4 | ||||
| 257 | R | 29.1 | Very low | 28.4 | Very low | 253 Ų | 253 | 170.5 Ų | 170.5 | 96% | 0.955 | 83% | 0.834 | S | S | * | * | trans | -130.3 | 126 | 142.5 | -80.6 | -169.5 | 169.8 | 173.6 | -2.1 | 111.4 | ||||
| 258 | K | 27.9 | Very low | 28.6 | Very low | 203 Ų | 203 | 171 Ų | 171 | 88% | 0.883 | 84% | 0.838 | S | S | * | * | trans | -88.5 | 165.3 | 161.6 | -76.5 | -175.9 | 171.2 | -173.7 | 0 | 108.7 | ||||
| 259 | G | 27.3 | Very low | 29.1 | Very low | 78 Ų | 78 | 173.6 Ų | 173.6 | 80% | 0.804 | 84% | 0.843 | S | S | * | * | trans | 120.2 | 96.8 | 147.2 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 260 | A | 31 | Very low | 29.7 | Very low | 110 Ų | 110 | 174.4 Ų | 174.4 | 91% | 0.909 | 84% | 0.843 | S | S | * | * | trans | -77.4 | 137.6 | 163 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 261 | G | 26.9 | Very low | 30.3 | Very low | 75 Ų | 75 | 166.4 Ų | 166.4 | 77% | 0.773 | 82% | 0.824 | S | S | * | * | trans | -119.3 | 106.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | R263 | G261-R263 PolarHBondContact O-N 3.29Š| ||
| 262 | K | 33.4 | Very low | 31 | Very low | 214 Ų | 214 | 165.3 Ų | 165.3 | 93% | 0.93 | 82% | 0.816 | S | S | * | * | trans | -68.3 | 125.9 | 175.5 | -65.4 | -175.7 | 177.9 | -174.9 | 0 | 109.8 | ||||
| 263 | R | 29 | Very low | 32 | Very low | 242 Ų | 242 | 159.2 Ų | 159.2 | 91% | 0.913 | 80% | 0.801 | S | S | * | * | trans | -111.6 | 130.6 | 163.4 | -80.4 | -175.1 | 164 | -172.6 | -5.9 | 109 | G261 | G261-R263 PolarHBondContact O-N 3.29Š| ||
| 264 | K | 36.3 | Very low | 32.8 | Very low | 203 Ų | 203 | 162.3 Ų | 162.3 | 88% | 0.883 | 80% | 0.802 | S | S | * | * | trans | -82.6 | 141.3 | 171.7 | -63.7 | -177.9 | 177.5 | -175.6 | 0 | 109.3 | ||||
| 265 | P | 30.5 | Very low | 33.8 | Very low | 131 Ų | 131 | 155.9 Ų | 155.9 | 85% | 0.851 | 78% | 0.78 | S | S | * | * | trans | -72.1 | 155.9 | 161.7 | 32 | -33.2 | 0 | 0 | 0 | 110.5 | ||||
| 266 | Y | 26 | Very low | 35 | Very low | 208 Ų | 208 | 148.9 Ų | 148.9 | 82% | 0.816 | 76% | 0.761 | S | S | * | * | trans | -105.6 | 131.4 | 173.4 | -170.9 | -89.3 | 0 | 0 | 0 | 108.2 | M268 | Y266-M268 HydrophobicContact CE1-CE 4.28Š| ||
| 267 | C | 28.7 | Very low | 35.9 | Very low | 110 Ų | 110 | 140.7 Ų | 140.7 | 74% | 0.743 | 74% | 0.743 | S | S | * | * | trans | -89.5 | 130.6 | -175.1 | -176.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 268 | M | 29.1 | Very low | 37 | Very low | 162 Ų | 162 | 132.9 Ų | 132.9 | 80% | 0.798 | 72% | 0.719 | S | S | * | * | trans | -100.2 | 145.7 | 162.7 | -81.1 | -64.3 | -177.3 | 0 | 0 | 110 | Y266 | Y266-M268 HydrophobicContact CE1-CE 4.28Š| ||
| 269 | R | 36 | Very low | 38.2 | Very low | 241 Ų | 241 | 129.6 Ų | 129.6 | 91% | 0.909 | 71% | 0.707 | S | S | * | * | trans | -105.1 | 92.2 | -154.1 | -174.7 | -178.4 | -179.3 | -165.3 | 0.6 | 111.4 | ||||
| 270 | S | 35.9 | Very low | 39.3 | Very low | 99 Ų | 99 | 131.3 Ų | 131.3 | 69% | 0.692 | 69% | 0.694 | S | S | * | * | trans | -72.4 | 165 | 166.5 | 53.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 271 | S | 44 | Very low | 40.2 | Very low | 72 Ų | 72 | 128.8 Ų | 128.8 | 50% | 0.503 | 67% | 0.673 | S | S | . | * | trans | -60.8 | 140.1 | 177.6 | -167.8 | 0 | 0 | 0 | 0 | 111.3 | D273 | S271-D273 VanDerWaalsContact C-N 3.28Å; S271-D273 PolarHBondContact O-N 2.94Å | ||
| 272 | T | 50 | Low | 41.3 | Very low | 92 Ų | 92 | 133.4 Ų | 133.4 | 56% | 0.564 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -65.9 | -32.9 | -179.8 | 38.4 | 0 | 0 | 0 | 0 | 112.5 | A275 L276 | T272-A275 PolarHBondContact O-N 3.45Å; T272-L276 VanDerWaalsContact O-CG 3.3Å; T272-L276 WeakPolarHBondContact O-CG 3.32Å; T272-L276 PolarHBondContact O-N 2.85Å |
| 273 | D | 42.7 | Very low | 42.1 | Very low | 109 Ų | 109 | 125.6 Ų | 125.6 | 58% | 0.583 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -85.3 | -34.9 | -158.2 | -52.9 | -10.5 | 0 | 0 | 0 | 111.6 | S271 A277 | S271-D273 VanDerWaalsContact C-N 3.28Å; S271-D273 PolarHBondContact O-N 2.94Å; D273-A277 WeakPolarHBondContact O-CB 3.45Å; D273-A277 PolarHBondContact O-N 2.97Å |
| 274 | E | 41.9 | Very low | 43.2 | Very low | 141 Ų | 141 | 118.1 Ų | 118.1 | 66% | 0.659 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -64.5 | -40.7 | 166.7 | -83.1 | -169.5 | 105 | 0 | 0 | 112 | L276 A277 I278 | E274-L276 VanDerWaalsContact C-N 3.35Å; E274-L276 PolarHBondContact O-N 2.95Å; E274-A277 PolarHBondContact O-N 3.43Å; E274-I278 WeakPolarHBondContact O-CB 3.3Å; E274-I278 VanDerWaalsContact O-CG1 3.28Å; E274-I278 WeakPolarHBondContact O-CG1 3.23Å; E274-I278 PolarHBondContact O-N 2.75Å |
| 275 | A | 47.8 | Very low | 44 | Very low | 48 Ų | 48 | 113.1 Ų | 113.1 | 40% | 0.397 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -63.2 | -43.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | T272 Q279 | T272-A275 PolarHBondContact O-N 3.45Å; A275-Q279 WeakPolarHBondContact O-CB 3.32Å; A275-Q279 PolarHBondContact O-N 2.9Å |
| 276 | L | 51.9 | Low | 44.9 | Very low | 105 Ų | 105 | 109 Ų | 109 | 55% | 0.55 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -63.2 | -48.3 | 174.2 | -71.9 | 168.5 | 0 | 0 | 0 | 111.7 | T272 E274 I278 Q279 E280 | T272-L276 VanDerWaalsContact O-CG 3.3Å; T272-L276 WeakPolarHBondContact O-CG 3.32Å; T272-L276 PolarHBondContact O-N 2.85Å; E274-L276 VanDerWaalsContact C-N 3.35Å; E274-L276 PolarHBondContact O-N 2.95Å; L276-I278 VanDerWaalsContact C-N 3.35Å; L276-I278 PolarHBondContact O-N 3.24Å; L276-Q279 CarbonylContact O-C 3.54Å; L276-Q279 PolarHBondContact O-N 3.39Å; L276-Q279 VanDerWaalsContact O-N 3.14Å; L276-E280 WeakPolarHBondContact O-CB 3.34Å; L276-E280 PolarHBondContact O-N 3.31Å |
| 277 | A | 49.5 | Very low | 46.3 | Very low | 58 Ų | 58 | 105.2 Ų | 105.2 | 48% | 0.479 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -61.1 | -39.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113 | D273 E274 A281 | D273-A277 WeakPolarHBondContact O-CB 3.45Å; D273-A277 PolarHBondContact O-N 2.97Å; E274-A277 PolarHBondContact O-N 3.43Å; A277-A281 WeakPolarHBondContact O-CB 3.48Å; A277-A281 PolarHBondContact O-N 3.09Å |
| 278 | I | 51.9 | Low | 47.6 | Very low | 90 Ų | 90 | 106.2 Ų | 106.2 | 46% | 0.462 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -69.1 | -38.2 | 175.5 | -67.7 | 167 | 0 | 0 | 0 | 111 | E274 L276 R282 | E274-I278 WeakPolarHBondContact O-CB 3.3Å; E274-I278 VanDerWaalsContact O-CG1 3.28Å; E274-I278 WeakPolarHBondContact O-CG1 3.23Å; E274-I278 PolarHBondContact O-N 2.75Å; L276-I278 VanDerWaalsContact C-N 3.35Å; L276-I278 PolarHBondContact O-N 3.24Å; I278-R282 WeakPolarHBondContact O-CB 3.28Å; I278-R282 VanDerWaalsContact O-CG 3.24Å; I278-R282 WeakPolarHBondContact O-CG 3.45Å; I278-R282 PolarHBondContact O-N 3.09Å |
| 279 | Q | 52.8 | Low | 48.5 | Very low | 134 Ų | 134 | 99.6 Ų | 99.6 | 63% | 0.626 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -70.6 | -34.7 | 178.1 | -172.4 | 165.7 | -7.4 | 0 | 0 | 112.2 | A275 L276 S283 | A275-Q279 WeakPolarHBondContact O-CB 3.32Å; A275-Q279 PolarHBondContact O-N 2.9Å; L276-Q279 CarbonylContact O-C 3.54Å; L276-Q279 PolarHBondContact O-N 3.39Å; L276-Q279 VanDerWaalsContact O-N 3.14Å; Q279-S283 PolarHBondContact O-N 2.89Å |
| 280 | E | 50.3 | Low | 49.4 | Very low | 113 Ų | 113 | 92 Ų | 92 | 53% | 0.528 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -73.7 | -42.1 | 175.1 | -172.2 | 173.2 | -164.7 | 0 | 0 | 112.2 | L276 R282 S283 Q284 | L276-E280 WeakPolarHBondContact O-CB 3.34Å; L276-E280 PolarHBondContact O-N 3.31Å; E280-R282 VanDerWaalsContact C-N 3.27Å; E280-R282 PolarHBondContact O-N 3.23Å; E280-S283 WeakPolarHBondContact CA-OG 3.44Å; E280-S283 PolarHBondContact O-N 3.01Å; E280-S283 PolarHBondContact O-OG 2.86Å; E280-Q284 WeakPolarHBondContact O-CB 3.47Å; E280-Q284 WeakPolarHBondContact O-CG 3.48Å; E280-Q284 PolarHBondContact O-N 3.48Å |
| 281 | A | 50.3 | Low | 50.5 | Low | 57 Ų | 57 | 94 Ų | 94 | 47% | 0.471 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.4 | -40.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | A277 T285 | A277-A281 WeakPolarHBondContact O-CB 3.48Å; A277-A281 PolarHBondContact O-N 3.09Å; A281-T285 WeakPolarHBondContact O-CG2 3.32Å; A281-T285 PolarHBondContact O-N 3.48Å; A281-T285 VanDerWaalsContact O-N 3.15Å; A281-T285 PolarHBondContact O-OG1 3.21Å |
| 282 | R | 49.7 | Very low | 50.9 | Low | 173 Ų | 173 | 95.5 Ų | 95.5 | 65% | 0.653 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.3 | -49.9 | 173 | -75.8 | 174 | -174.5 | -164.5 | 4.7 | 111.7 | I278 E280 Q284 T285 A286 | I278-R282 WeakPolarHBondContact O-CB 3.28Å; I278-R282 VanDerWaalsContact O-CG 3.24Å; I278-R282 WeakPolarHBondContact O-CG 3.45Å; I278-R282 PolarHBondContact O-N 3.09Å; E280-R282 VanDerWaalsContact C-N 3.27Å; E280-R282 PolarHBondContact O-N 3.23Å; R282-Q284 PolarHBondContact O-N 3.3Å; R282-T285 PolarHBondContact O-N 2.99Å; R282-T285 VanDerWaalsContact O-N 3.13Å; R282-T285 PolarHBondContact O-OG1 2.61Å; R282-A286 PolarHBondContact O-N 2.85Å |
| 283 | S | 49.5 | Very low | 50.7 | Low | 49 Ų | 49 | 92.7 Ų | 92.7 | 34% | 0.343 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.2 | -40.5 | -178.5 | 69.6 | 0 | 0 | 0 | 0 | 112.1 | Q279 E280 T285 A286 Q287 | Q279-S283 PolarHBondContact O-N 2.89Å; E280-S283 WeakPolarHBondContact CA-OG 3.44Å; E280-S283 PolarHBondContact O-N 3.01Å; E280-S283 PolarHBondContact O-OG 2.86Å; S283-T285 VanDerWaalsContact C-N 3.35Å; S283-T285 PolarHBondContact O-N 2.88Å; S283-A286 PolarHBondContact O-N 3.47Å; S283-Q287 WeakPolarHBondContact O-CB 3.41Å; S283-Q287 VanDerWaalsContact O-CG 3.27Å; S283-Q287 WeakPolarHBondContact O-CG 3.47Å; S283-Q287 PolarHBondContact O-N 3.01Å |
| 284 | Q | 52.8 | Low | 51.3 | Low | 86 Ų | 86 | 91.5 Ų | 91.5 | 40% | 0.402 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.3 | -36.8 | 174.3 | -69.3 | -179.1 | 24.8 | 0 | 0 | 112.7 | E280 R282 K288 | E280-Q284 WeakPolarHBondContact O-CB 3.47Å; E280-Q284 WeakPolarHBondContact O-CG 3.48Å; E280-Q284 PolarHBondContact O-N 3.48Å; R282-Q284 PolarHBondContact O-N 3.3Å; Q284-K288 WeakPolarHBondContact O-CB 3.46Å; Q284-K288 WeakPolarHBondContact O-CG 3.4Å; Q284-K288 PolarHBondContact O-N 3.24Å; Q284-K288 VanDerWaalsContact O-N 3.12Å |
| 285 | T | 52.3 | Low | 51.8 | Low | 97 Ų | 97 | 90.2 Ų | 90.2 | 60% | 0.595 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -72.9 | -31.1 | 173.5 | 59.1 | 0 | 0 | 0 | 0 | 113.3 | A281 R282 S283 A289 | A281-T285 WeakPolarHBondContact O-CG2 3.32Å; A281-T285 PolarHBondContact O-N 3.48Å; A281-T285 VanDerWaalsContact O-N 3.15Å; A281-T285 PolarHBondContact O-OG1 3.21Å; R282-T285 PolarHBondContact O-N 2.99Å; R282-T285 VanDerWaalsContact O-N 3.13Å; R282-T285 PolarHBondContact O-OG1 2.61Å; S283-T285 VanDerWaalsContact C-N 3.35Å; S283-T285 PolarHBondContact O-N 2.88Å; T285-A289 WeakPolarHBondContact O-CB 3.46Å; T285-A289 PolarHBondContact O-N 3.18Å; T285-A289 VanDerWaalsContact O-N 3.13Å |
| 286 | A | 50.2 | Low | 51.9 | Low | 46 Ų | 46 | 89.9 Ų | 89.9 | 38% | 0.38 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -70.6 | -45 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | R282 S283 A289 D290 | R282-A286 PolarHBondContact O-N 2.85Å; S283-A286 PolarHBondContact O-N 3.47Å; A286-A289 WeakPolarHBondContact O-CB 3.4Å; A286-A289 PolarHBondContact O-N 3.34Å; A286-D290 PolarHBondContact O-N 3.03Å |
| 287 | Q | 55.4 | Low | 51.7 | Low | 127 Ų | 127 | 89.2 Ų | 89.2 | 59% | 0.593 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -59.5 | -48.7 | 175.9 | -74 | 167.3 | -11.6 | 0 | 0 | 111.8 | S283 A289 D290 E291 | S283-Q287 WeakPolarHBondContact O-CB 3.41Å; S283-Q287 VanDerWaalsContact O-CG 3.27Å; S283-Q287 WeakPolarHBondContact O-CG 3.47Å; S283-Q287 PolarHBondContact O-N 3.01Å; Q287-A289 VanDerWaalsContact C-N 3.26Å; Q287-A289 PolarHBondContact O-N 3.1Å; Q287-D290 PolarHBondContact O-N 3.13Å; Q287-E291 VanDerWaalsContact O-CB 3.32Å; Q287-E291 WeakPolarHBondContact O-CB 3.34Å; Q287-E291 PolarHBondContact O-N 2.87Å |
| 288 | K | 55.4 | Low | 52 | Low | 132 Ų | 132 | 92.6 Ų | 92.6 | 57% | 0.574 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.6 | -30.3 | 176.2 | -74 | 171 | -179.7 | 168.2 | 0 | 113.2 | Q284 L292 | Q284-K288 WeakPolarHBondContact O-CB 3.46Å; Q284-K288 WeakPolarHBondContact O-CG 3.4Å; Q284-K288 PolarHBondContact O-N 3.24Å; Q284-K288 VanDerWaalsContact O-N 3.12Å; K288-L292 WeakPolarHBondContact O-CD1 3.27Å; K288-L292 WeakPolarHBondContact O-CG 3.41Å |
| 289 | A | 48 | Very low | 52.1 | Low | 23 Ų | 23 | 91.3 Ų | 91.3 | 19% | 0.19 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -69.2 | -53.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | T285 A286 Q287 E291 L292 Y293 | T285-A289 WeakPolarHBondContact O-CB 3.46Å; T285-A289 PolarHBondContact O-N 3.18Å; T285-A289 VanDerWaalsContact O-N 3.13Å; A286-A289 WeakPolarHBondContact O-CB 3.4Å; A286-A289 PolarHBondContact O-N 3.34Å; Q287-A289 VanDerWaalsContact C-N 3.26Å; Q287-A289 PolarHBondContact O-N 3.1Å; A289-E291 VanDerWaalsContact C-N 3.31Å; A289-E291 PolarHBondContact O-N 3.36Å; A289-L292 CarbonylContact O-C 3.57Å; A289-L292 WeakPolarHBondContact O-CA 3.49Å; A289-L292 WeakPolarHBondContact O-CB 3.27Å; A289-L292 PolarHBondContact O-N 3.43Å; A289-Y293 HydrophobicContact CB-CD2 4.28Å; A289-Y293 HydrophobicContact CB-CE2 4.19Å; A289-Y293 WeakPolarHBondContact O-CD2 3.43Å; A289-Y293 PolarHBondContact O-N 3.13Å |
| 290 | D | 54.3 | Low | 52.1 | Low | 80 Ų | 80 | 89.8 Ų | 89.8 | 43% | 0.428 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -69.1 | -25.9 | -173.8 | -71.4 | -28.3 | 0 | 0 | 0 | 113.6 | A286 Q287 Y293 A294 K332 | A286-D290 PolarHBondContact O-N 3.03Å; Q287-D290 PolarHBondContact O-N 3.13Å; D290-Y293 PolarHBondContact O-N 3.15Å; D290-A294 WeakPolarHBondContact O-CB 3.06Å; D290-A294 PolarHBondContact O-N 3.12Å; D290-K332 IonicContact OD1-NZ 3.75Å; D290-K332 PolarHBondContact OD1-NZ 3.27Å |
| 291 | E | 59.2 | Low | 52.1 | Low | 142 Ų | 142 | 85.9 Ų | 85.9 | 66% | 0.664 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -62.5 | -40.5 | 166.3 | -174.6 | 174.4 | -154.1 | 0 | 0 | 111.9 | Q287 A289 A294 | Q287-E291 VanDerWaalsContact O-CB 3.32Å; Q287-E291 WeakPolarHBondContact O-CB 3.34Å; Q287-E291 PolarHBondContact O-N 2.87Å; A289-E291 VanDerWaalsContact C-N 3.31Å; A289-E291 PolarHBondContact O-N 3.36Å; E291-A294 PolarHBondContact O-N 3.42Å |
| 292 | L | 52.6 | Low | 52.2 | Low | 103 Ų | 103 | 85.4 Ų | 85.4 | 54% | 0.539 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -70.4 | -42.1 | 172.2 | -65.9 | 168.4 | 0 | 0 | 0 | 111.6 | K288 A289 A294 T295 | K288-L292 WeakPolarHBondContact O-CD1 3.27Å; K288-L292 WeakPolarHBondContact O-CG 3.41Å; A289-L292 CarbonylContact O-C 3.57Å; A289-L292 WeakPolarHBondContact O-CA 3.49Å; A289-L292 WeakPolarHBondContact O-CB 3.27Å; A289-L292 PolarHBondContact O-N 3.43Å; L292-A294 VanDerWaalsContact C-N 3.25Å; L292-A294 PolarHBondContact O-N 2.91Å; L292-T295 PolarHBondContact O-N 2.82Å; L292-T295 PolarHBondContact O-OG1 2.82Å |
| 293 | Y | 47.1 | Very low | 52.2 | Low | 34 Ų | 34 | 82.2 Ų | 82.2 | 13% | 0.133 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -66.2 | -24.1 | 176 | -72.5 | -79.2 | 0 | 0 | 0 | 112.7 | A289 D290 T295 L296 K332 L335 E341 | A289-Y293 HydrophobicContact CB-CD2 4.28Å; A289-Y293 HydrophobicContact CB-CE2 4.19Å; A289-Y293 WeakPolarHBondContact O-CD2 3.43Å; A289-Y293 PolarHBondContact O-N 3.13Å; D290-Y293 PolarHBondContact O-N 3.15Å; Y293-T295 VanDerWaalsContact C-N 3.25Å; Y293-T295 PolarHBondContact O-N 3.19Å; Y293-L296 HydrophobicContact CD1-CD1 3.71Å; Y293-L296 HydrophobicContact CE1-CD1 4.17Å; Y293-L296 WeakPolarHBondContact O-CB 3.21Å; Y293-L296 PolarHBondContact O-N 2.89Å; Y293-K332 HydrophobicContact CD1-CG 4.46Å; Y293-K332 HydrophobicContact CE1-CG 4.03Å; Y293-L335 HydrophobicContact CD1-CD1 4.34Å; Y293-L335 HydrophobicContact CE1-CB 4.13Å; Y293-L335 HydrophobicContact CE1-CD1 4.03Å; Y293-E341 PolarHBondContact OH-OE2 3.27Å |
| 294 | A | 54.3 | Low | 52 | Low | 84 Ų | 84 | 80.4 Ų | 80.4 | 69% | 0.694 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -20.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | D290 E291 L292 L296 | D290-A294 WeakPolarHBondContact O-CB 3.06Å; D290-A294 PolarHBondContact O-N 3.12Å; E291-A294 PolarHBondContact O-N 3.42Å; L292-A294 VanDerWaalsContact C-N 3.25Å; L292-A294 PolarHBondContact O-N 2.91Å; A294-L296 VanDerWaalsContact C-N 3.32Å |
| 295 | T | 51.9 | Low | 51.8 | Low | 114 Ų | 114 | 83.9 Ų | 83.9 | 70% | 0.699 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -7.9 | 174.1 | 68.8 | 0 | 0 | 0 | 0 | 113.7 | L292 Y293 | L292-T295 PolarHBondContact O-N 2.82Å; L292-T295 PolarHBondContact O-OG1 2.82Å; Y293-T295 VanDerWaalsContact C-N 3.25Å; Y293-T295 PolarHBondContact O-N 3.19Å |
| 296 | L | 50.6 | Low | 51.7 | Low | 40 Ų | 40 | 85.3 Ų | 85.3 | 21% | 0.209 | 49% | 0.485 | C | S | . | . | S | Bend | trans | -88.3 | 141.2 | -179.1 | -61.5 | -179.4 | 0 | 0 | 0 | 111.1 | Y293 A294 T298 F320 L335 | Y293-L296 HydrophobicContact CD1-CD1 3.71Å; Y293-L296 HydrophobicContact CE1-CD1 4.17Å; Y293-L296 WeakPolarHBondContact O-CB 3.21Å; Y293-L296 PolarHBondContact O-N 2.89Å; A294-L296 VanDerWaalsContact C-N 3.32Å; L296-T298 PolarHBondContact O-N 2.62Å; L296-F320 HydrophobicContact CD2-CE2 3.83Å; L296-F320 HydrophobicContact CD2-CZ 3.68Å; L296-L335 HydrophobicContact CD1-CD1 4.17Å |
| 297 | P | 48.4 | Very low | 51.7 | Low | 92 Ų | 92 | 87.5 Ų | 87.5 | 60% | 0.597 | 49% | 0.49 | S | S | * | . | trans | -52.4 | 135.9 | 173.6 | -27 | 34.9 | 0 | 0 | 0 | 112 | I299 | P297-I299 PolarHBondContact O-N 3.09Š| ||
| 298 | T | 54.9 | Low | 51.6 | Low | 128 Ų | 128 | 92 Ų | 92 | 79% | 0.785 | 51% | 0.508 | S | S | * | . | trans | -45.1 | 131.3 | -178 | -51.8 | 0 | 0 | 0 | 0 | 111.2 | L296 V300 | L296-T298 PolarHBondContact O-N 2.62Å; T298-V300 VanDerWaalsContact C-N 3.33Å; T298-V300 WeakPolarHBondContact O-CG2 3.37Å; T298-V300 PolarHBondContact O-N 3.11Å | ||
| 299 | I | 53.7 | Low | 51.4 | Low | 63 Ų | 63 | 89.8 Ų | 89.8 | 32% | 0.323 | 50% | 0.502 | S | S | . | . | trans | -67.6 | 90.9 | -177 | -60 | 175.7 | 0 | 0 | 0 | 109.6 | P297 G301 F316 L331 | P297-I299 PolarHBondContact O-N 3.09Å; I299-G301 PolarHBondContact O-N 3Å; I299-G301 VanDerWaalsContact O-N 3.1Å; I299-F316 HydrophobicContact CG2-CD1 3.88Å; I299-L331 HydrophobicContact CG2-CD2 3.64Å | ||
| 300 | V | 52.6 | Low | 51.9 | Low | 103 Ų | 103 | 95.6 Ų | 95.6 | 62% | 0.624 | 54% | 0.538 | S | S | * | . | trans | -68.6 | 106.7 | 175.8 | -175.4 | 0 | 0 | 0 | 0 | 109 | T298 V302 | T298-V300 VanDerWaalsContact C-N 3.33Å; T298-V300 WeakPolarHBondContact O-CG2 3.37Å; T298-V300 PolarHBondContact O-N 3.11Å; V300-V302 HydrophobicContact CG1-CG2 4.21Å; V300-V302 PolarHBondContact O-N 2.84Å | ||
| 301 | G | 50.1 | Low | 52 | Low | 31 Ų | 31 | 97.7 Ų | 97.7 | 32% | 0.32 | 55% | 0.549 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 118.5 | 163.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | I299 | I299-G301 PolarHBondContact O-N 3Å; I299-G301 VanDerWaalsContact O-N 3.1Å |
| 302 | V | 54.1 | Low | 51.7 | Low | 47 Ų | 47 | 95.1 Ų | 95.1 | 29% | 0.285 | 54% | 0.544 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 114.1 | 178.5 | -179.5 | 0 | 0 | 0 | 0 | 107.8 | V300 G304 R315 K317 | V300-V302 HydrophobicContact CG1-CG2 4.21Å; V300-V302 PolarHBondContact O-N 2.84Å; V302-G304 PolarHBondContact O-N 2.93Å; V302-R315 PolarHBondContact N-O 3.21Å; V302-K317 HydrophobicContact CG2-CD 4.19Å; V302-K317 HydrophobicContact CG2-CG 4.31Å |
| 303 | V | 48 | Very low | 52.1 | Low | 106 Ų | 106 | 92.8 Ų | 92.8 | 64% | 0.642 | 54% | 0.537 | S | S | * | . | trans | -70.1 | 87.8 | 170.2 | -177.9 | 0 | 0 | 0 | 0 | 107.9 | M314 | V303-M314 HydrophobicContact CG2-SD 3.83Š| ||
| 304 | G | 45.9 | Very low | 52.9 | Low | 10 Ų | 10 | 96.1 Ų | 96.1 | 10% | 0.103 | 56% | 0.555 | C | S | . | * | trans | -94.4 | 121.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112 | V302 F306 | V302-G304 PolarHBondContact O-N 2.93Å; G304-F306 PolarHBondContact O-N 2.92Å | ||
| 305 | L | 49.9 | Very low | 53.9 | Low | 159 Ų | 159 | 94.2 Ų | 94.2 | 83% | 0.832 | 53% | 0.53 | S | S | * | . | trans | -68.8 | 25.3 | 158.9 | -66.2 | 170.2 | 0 | 0 | 0 | 112.3 | N307 | L305-N307 PolarHBondContact O-N 2.98Š| ||
| 306 | F | 48.2 | Very low | 55.2 | Low | 128 Ų | 128 | 90.1 Ų | 90.1 | 56% | 0.561 | 50% | 0.502 | S | S | * | . | trans | -77.2 | 66 | 174.8 | -69.8 | -72.4 | 0 | 0 | 0 | 110.8 | G304 R315 | G304-F306 PolarHBondContact O-N 2.92Å; F306-R315 PolarHBondContact O-NH2 2.92Å | ||
| 307 | N | 50.4 | Low | 56.6 | Low | 92 Ų | 92 | 92 Ų | 92 | 49% | 0.492 | 51% | 0.509 | S | S | . | . | S | Bend | trans | 174.8 | 156.6 | 148.4 | -92.6 | -4.3 | 0 | 0 | 0 | 109.5 | L305 D309 R315 | L305-N307 PolarHBondContact O-N 2.98Å; N307-D309 HydrophobicContact CB-CB 3.97Å; N307-D309 VanDerWaalsContact CB-CG 3.47Å; N307-D309 WeakPolarHBondContact CB-OD2 3.28Å; N307-D309 PolarHBondContact ND2-OD2 3.14Å; N307-D309 PolarHBondContact O-N 3.02Å; N307-R315 PolarHBondContact ND2-NH2 2.83Å |
| 308 | K | 55 | Low | 58.2 | Low | 221 Ų | 221 | 88.1 Ų | 88.1 | 96% | 0.961 | 48% | 0.484 | S | S | * | . | S | Bend | trans | -76.4 | 41.4 | 162 | -63 | -178.6 | 179.7 | 178.9 | 0 | 111.4 | ||
| 309 | D | 49.9 | Very low | 59.2 | Low | 85 Ų | 85 | 85.6 Ų | 85.6 | 46% | 0.455 | 47% | 0.469 | S | S | . | . | trans | -92.3 | 128.5 | 173.8 | -67.4 | -30 | 0 | 0 | 0 | 107.9 | N307 N311 R315 | N307-D309 HydrophobicContact CB-CB 3.97Å; N307-D309 VanDerWaalsContact CB-CG 3.47Å; N307-D309 WeakPolarHBondContact CB-OD2 3.28Å; N307-D309 PolarHBondContact ND2-OD2 3.14Å; N307-D309 PolarHBondContact O-N 3.02Å; D309-N311 PolarHBondContact O-N 3.09Å; D309-R315 IonicContact OD2-NH2 2.97Å | ||
| 310 | P | 58.3 | Low | 60.2 | Low | 145 Ų | 145 | 87.7 Ų | 87.7 | 94% | 0.942 | 48% | 0.476 | S | S | * | . | S | Bend | trans | -75.2 | 21.5 | -172.8 | 31.8 | -37.6 | 0 | 0 | 0 | 114.8 | ||
| 311 | N | 57.3 | Low | 61.5 | Low | 125 Ų | 125 | 85.2 Ų | 85.2 | 67% | 0.668 | 46% | 0.463 | S | S | * | . | S | Bend | trans | -151.4 | 116 | 178.1 | -168.9 | -4.3 | 0 | 0 | 0 | 109.8 | D309 S313 | D309-N311 PolarHBondContact O-N 3.09Å; N311-S313 PolarHBondContact O-N 3.05Å; N311-S313 VanDerWaalsContact O-N 3.14Å |
| 312 | P | 53.5 | Low | 62.9 | Low | 87 Ų | 87 | 87.8 Ų | 87.8 | 57% | 0.565 | 47% | 0.473 | S | S | * | . | trans | -67.1 | 112.2 | -174.8 | 26.6 | -34.4 | 0 | 0 | 0 | 111.8 | ||||
| 313 | S | 60.5 | Low | 64.1 | Low | 55 Ų | 55 | 89.8 Ų | 89.8 | 39% | 0.385 | 48% | 0.479 | S | S | . | . | trans | -99.6 | 120.9 | 179.2 | -176.8 | 0 | 0 | 0 | 0 | 110.5 | N311 | N311-S313 PolarHBondContact O-N 3.05Å; N311-S313 VanDerWaalsContact O-N 3.14Å | ||
| 314 | M | 62.6 | Low | 65.7 | Low | 103 Ų | 103 | 88.2 Ų | 88.2 | 51% | 0.507 | 47% | 0.47 | S | S | . | . | trans | -54.2 | 135.3 | 175.1 | -77.2 | -110.9 | -86.6 | 0 | 0 | 111.9 | V303 | V303-M314 HydrophobicContact CG2-SD 3.83Š| ||
| 315 | R | 76.5 | Confident | 67.4 | Low | 44 Ų | 44 | 88.6 Ų | 88.6 | 17% | 0.166 | 47% | 0.47 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 143 | 179 | -64.3 | 179.3 | -166.4 | -146.3 | 8.7 | 111.1 | V302 F306 N307 D309 V325 | V302-R315 PolarHBondContact N-O 3.21Å; F306-R315 PolarHBondContact O-NH2 2.92Å; N307-R315 PolarHBondContact ND2-NH2 2.83Å; D309-R315 IonicContact OD2-NH2 2.97Å; R315-V325 WeakPolarHBondContact CA-O 3.42Å |
| 316 | F | 78.6 | Confident | 68.8 | Low | 28 Ų | 28 | 87.6 Ų | 87.6 | 12% | 0.123 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 122.7 | -179.5 | -54.6 | -90.1 | 0 | 0 | 0 | 108.5 | I299 T324 V325 R327 K328 L331 | I299-F316 HydrophobicContact CG2-CD1 3.88Å; F316-T324 WeakPolarHBondContact O-CA 3.46Å; F316-V325 HydrophobicContact CB-CG2 4.01Å; F316-V325 PolarHBondContact N-O 2.92Å; F316-V325 PolarHBondContact O-N 3.22Å; F316-R327 VanDerWaalsContact CD2-C 3.41Å; F316-K328 HydrophobicContact CD1-CB 4.39Å; F316-K328 HydrophobicContact CE1-CB 4.03Å; F316-K328 HydrophobicContact CE1-CG 4.34Å; F316-K328 HydrophobicContact CE2-CB 4.27Å; F316-K328 VanDerWaalsContact CE2-N 3.33Å; F316-K328 HydrophobicContact CZ-CB 3.97Å; F316-L331 HydrophobicContact CB-CB 4.28Å; F316-L331 HydrophobicContact CB-CD2 3.79Å |
| 317 | K | 79.6 | Confident | 70.3 | Confident | 79 Ų | 79 | 87.6 Ų | 87.6 | 34% | 0.343 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 145.3 | 175.3 | -58.7 | -169.5 | 177 | -178 | 0 | 109.5 | V302 T324 L331 | V302-K317 HydrophobicContact CG2-CD 4.19Å; V302-K317 HydrophobicContact CG2-CG 4.31Å; K317-T324 HydrophobicContact CB-CG2 4.48Å; K317-T324 HydrophobicContact CG-CG2 3.97Å; K317-L331 WeakPolarHBondContact O-CD2 3.41Å |
| 318 | C | 82.5 | Confident | 71.6 | Confident | 12 Ų | 12 | 89.4 Ų | 89.4 | 8% | 0.081 | 46% | 0.459 | C | S | . | . | trans | -77.2 | 135.6 | 168.8 | -175.6 | 0 | 0 | 0 | 0 | 110.4 | F320 C321 H323 L331 H334 | C318-F320 PolarHBondContact O-N 2.82Å; C318-F320 PolarHBondContact SG-N 2.89Å; C318-F320 VanDerWaalsContact SG-N 3.4Å; C318-C321 WeakPolarHBondContact CB-O 3.28Å; C318-H323 PolarHBondContact N-O 3.46Å; C318-L331 HydrophobicContact CB-CD1 3.9Å; C318-H334 WeakPolarHBondContact CB-NE2 3.41Å; C318-H334 PolarHBondContact SG-CD2 2.99Å; C318-H334 PolarHBondContact SG-NE2 3.24Å | ||
| 319 | P | 76.4 | Confident | 72.7 | Confident | 74 Ų | 74 | 81.4 Ų | 81.4 | 48% | 0.481 | 43% | 0.434 | S | S | . | . | S | Bend | trans | -69.9 | -19.1 | 174 | 28 | -34.8 | 0 | 0 | 0 | 113.3 | L335 | P319-L335 HydrophobicContact CG-CD2 4.31Š|
| 320 | F | 74 | Confident | 74.2 | Confident | 107 Ų | 107 | 78.4 Ų | 78.4 | 47% | 0.469 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -106.2 | -7.1 | -174 | -58.3 | -61.6 | 0 | 0 | 0 | 114.9 | L296 C318 L335 H338 | L296-F320 HydrophobicContact CD2-CE2 3.83Å; L296-F320 HydrophobicContact CD2-CZ 3.68Å; C318-F320 PolarHBondContact O-N 2.82Å; C318-F320 PolarHBondContact SG-N 2.89Å; C318-F320 VanDerWaalsContact SG-N 3.4Å; F320-L335 HydrophobicContact CD2-CD2 3.9Å; F320-L335 HydrophobicContact CE2-CD2 4.14Å; F320-H338 WeakPolarHBondContact CB-CE1 3.43Å; F320-H338 WeakPolarHBondContact CB-ND1 3.2Å; F320-H338 HydrophobicContact CD2-CB 4.07Å |
| 321 | C | 80.8 | Confident | 75.3 | Confident | 52 Ų | 52 | 71.5 Ų | 71.5 | 35% | 0.351 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -162.6 | 169.7 | 172.1 | 70.1 | 0 | 0 | 0 | 0 | 112.3 | C318 H323 H334 H338 | C318-C321 WeakPolarHBondContact CB-O 3.28Å; C321-H323 PolarHBondContact O-N 3.06Å; C321-H323 VanDerWaalsContact SG-CB 3.54Å; C321-H334 VanDerWaalsContact SG-CE1 3.54Å; C321-H334 PolarHBondContact SG-NE2 3.36Å; C321-H338 PolarHBondContact SG-NE2 3.43Å |
| 322 | T | 79.6 | Confident | 76.4 | Confident | 85 Ų | 85 | 69.1 Ų | 69.1 | 52% | 0.521 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -71.4 | 17.6 | -178.5 | 67.5 | 0 | 0 | 0 | 0 | 114.8 | R80 | R80-T322 VanDerWaalsContact NH2-CG2 3.3Å; R80-T322 PolarHBondContact NH2-OG1 3.41Å |
| 323 | H | 77.8 | Confident | 77.7 | Confident | 89 Ų | 89 | 68.9 Ų | 68.9 | 41% | 0.412 | 35% | 0.345 | S | S | . | . | trans | -81.5 | 128 | -178.7 | -167.1 | -85.9 | 0 | 0 | 0 | 110.4 | C318 C321 V325 H334 | C318-H323 PolarHBondContact N-O 3.46Å; C321-H323 PolarHBondContact O-N 3.06Å; C321-H323 VanDerWaalsContact SG-CB 3.54Å; H323-V325 VanDerWaalsContact CE1-CG1 3.42Å; H323-V325 WeakPolarHBondContact CE1-CG1 3.33Å; H323-H334 AromaticContact CG-CE1 3.61Å; H323-H334 AromaticContact CG-ND1 3.75Å; H323-H334 AromaticContact ND1-CE1 3.89Å; H323-H334 AromaticContact ND1-CG 3.97Å; H323-H334 AromaticContact ND1-ND1 3.61Å | ||
| 324 | T | 82.1 | Confident | 78.7 | Confident | 72 Ų | 72 | 67.5 Ų | 67.5 | 44% | 0.442 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 143.3 | 179.1 | 70.8 | 0 | 0 | 0 | 0 | 110.5 | F316 K317 | F316-T324 WeakPolarHBondContact O-CA 3.46Å; K317-T324 HydrophobicContact CB-CG2 4.48Å; K317-T324 HydrophobicContact CG-CG2 3.97Å |
| 325 | V | 81 | Confident | 79.6 | Confident | 18 Ų | 18 | 62.8 Ų | 62.8 | 11% | 0.109 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 156.9 | -176.9 | -62.5 | 0 | 0 | 0 | 0 | 111.9 | R315 F316 H323 R327 D330 L331 | R315-V325 WeakPolarHBondContact CA-O 3.42Å; F316-V325 HydrophobicContact CB-CG2 4.01Å; F316-V325 PolarHBondContact N-O 2.92Å; F316-V325 PolarHBondContact O-N 3.22Å; H323-V325 VanDerWaalsContact CE1-CG1 3.42Å; H323-V325 WeakPolarHBondContact CE1-CG1 3.33Å; V325-R327 WeakPolarHBondContact CG2-O 3.4Å; V325-D330 HydrophobicContact CB-CB 3.86Å; V325-D330 HydrophobicContact CG1-CB 4.09Å; V325-D330 HydrophobicContact CG2-CB 4.05Å; V325-L331 HydrophobicContact CG2-CB 3.7Å |
| 326 | K | 80.8 | Confident | 79.9 | Confident | 138 Ų | 138 | 63.1 Ų | 63.1 | 60% | 0.6 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -82.2 | -13.4 | -178.6 | -61.1 | -170.6 | 177.7 | -169.9 | 0 | 114.5 | ||
| 327 | R | 79.8 | Confident | 79.9 | Confident | 128 Ų | 128 | 65.9 Ų | 65.9 | 48% | 0.483 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -138.1 | 145.2 | -177.7 | -55.1 | -179.4 | -64.4 | 166.3 | 2.7 | 112.4 | F316 V325 A329 D330 L331 | F316-R327 VanDerWaalsContact CD2-C 3.41Å; V325-R327 WeakPolarHBondContact CG2-O 3.4Å; R327-A329 VanDerWaalsContact C-N 3.29Å; R327-A329 PolarHBondContact O-N 3.01Å; R327-D330 HydrophobicContact CB-CB 4.49Å; R327-D330 WeakPolarHBondContact CB-OD2 3.47Å; R327-D330 IonicContact CZ-OD1 3.9Å; R327-D330 IonicContact CZ-OD2 2.78Å; R327-D330 IonicContact NE-OD1 2.63Å; R327-D330 IonicContact NE-OD2 2.9Å; R327-D330 PolarHBondContact NE-OD2 2.94Å; R327-D330 IonicContact NH2-OD1 3.73Å; R327-D330 PolarHBondContact NH2-OD1 3.46Å; R327-D330 IonicContact NH2-OD2 3.8Å; R327-D330 PolarHBondContact NH2-OD2 3.09Å; R327-D330 WeakPolarHBondContact O-CB 3.38Å; R327-D330 PolarHBondContact O-N 3.04Å; R327-D330 VanDerWaalsContact O-N 3.08Å; R327-L331 PolarHBondContact O-N 3.26Å |
| 328 | K | 76.6 | Confident | 79.7 | Confident | 131 Ų | 131 | 65.9 Ų | 65.9 | 57% | 0.57 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -57.2 | -39.3 | 176.7 | -166 | 176.5 | -178.6 | 179.9 | 0 | 112.2 | F316 D330 L331 K332 | F316-K328 HydrophobicContact CD1-CB 4.39Å; F316-K328 HydrophobicContact CE1-CB 4.03Å; F316-K328 HydrophobicContact CE1-CG 4.34Å; F316-K328 HydrophobicContact CE2-CB 4.27Å; F316-K328 VanDerWaalsContact CE2-N 3.33Å; F316-K328 HydrophobicContact CZ-CB 3.97Å; K328-D330 PolarHBondContact O-N 3.24Å; K328-L331 WeakPolarHBondContact O-CB 3.36Å; K328-L331 PolarHBondContact O-N 3.36Å; K328-L331 VanDerWaalsContact O-N 3.09Å; K328-K332 PolarHBondContact O-N 2.94Å |
| 329 | A | 78.8 | Confident | 79.5 | Confident | 53 Ų | 53 | 68.4 Ų | 68.4 | 44% | 0.438 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -63.2 | -38.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | R327 L331 K332 R333 | R327-A329 VanDerWaalsContact C-N 3.29Å; R327-A329 PolarHBondContact O-N 3.01Å; A329-L331 PolarHBondContact O-N 2.89Å; A329-K332 PolarHBondContact O-N 2.89Å; A329-R333 WeakPolarHBondContact O-CB 3.41Å; A329-R333 PolarHBondContact O-N 2.9Å |
| 330 | D | 81.4 | Confident | 79.5 | Confident | 21 Ų | 21 | 67.4 Ų | 67.4 | 11% | 0.112 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -65.8 | -28 | 174.2 | -65.2 | -48 | 0 | 0 | 0 | 111.3 | V325 R327 K328 R333 H334 | V325-D330 HydrophobicContact CB-CB 3.86Å; V325-D330 HydrophobicContact CG1-CB 4.09Å; V325-D330 HydrophobicContact CG2-CB 4.05Å; R327-D330 HydrophobicContact CB-CB 4.49Å; R327-D330 WeakPolarHBondContact CB-OD2 3.47Å; R327-D330 IonicContact CZ-OD1 3.9Å; R327-D330 IonicContact CZ-OD2 2.78Å; R327-D330 IonicContact NE-OD1 2.63Å; R327-D330 IonicContact NE-OD2 2.9Å; R327-D330 PolarHBondContact NE-OD2 2.94Å; R327-D330 IonicContact NH2-OD1 3.73Å; R327-D330 PolarHBondContact NH2-OD1 3.46Å; R327-D330 IonicContact NH2-OD2 3.8Å; R327-D330 PolarHBondContact NH2-OD2 3.09Å; R327-D330 WeakPolarHBondContact O-CB 3.38Å; R327-D330 PolarHBondContact O-N 3.04Å; R327-D330 VanDerWaalsContact O-N 3.08Å; K328-D330 PolarHBondContact O-N 3.24Å; D330-R333 IonicContact OD1-CZ 3.45Å; D330-R333 IonicContact OD1-NH1 3.24Å; D330-R333 PolarHBondContact OD1-NH1 3.31Å; D330-R333 IonicContact OD1-NH2 2.68Å; D330-R333 PolarHBondContact OD1-NH2 3.34Å; D330-H334 WeakPolarHBondContact O-CB 3.33Å; D330-H334 PolarHBondContact O-N 3.49Å |
| 331 | L | 81.4 | Confident | 79.6 | Confident | 1 Ų | 1 | 64.4 Ų | 64.4 | 1% | 0.005 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -77.8 | -46.8 | 174.8 | -177.7 | 57.2 | 0 | 0 | 0 | 112.1 | I299 F316 K317 C318 V325 R327 K328 A329 R333 H334 L335 | I299-L331 HydrophobicContact CG2-CD2 3.64Å; F316-L331 HydrophobicContact CB-CB 4.28Å; F316-L331 HydrophobicContact CB-CD2 3.79Å; K317-L331 WeakPolarHBondContact O-CD2 3.41Å; C318-L331 HydrophobicContact CB-CD1 3.9Å; V325-L331 HydrophobicContact CG2-CB 3.7Å; R327-L331 PolarHBondContact O-N 3.26Å; K328-L331 WeakPolarHBondContact O-CB 3.36Å; K328-L331 PolarHBondContact O-N 3.36Å; K328-L331 VanDerWaalsContact O-N 3.09Å; A329-L331 PolarHBondContact O-N 2.89Å; L331-R333 PolarHBondContact O-N 2.8Å; L331-H334 HydrophobicContact CD1-CB 4.42Å; L331-H334 CarbonylContact O-C 3.53Å; L331-H334 WeakPolarHBondContact O-CA 3.33Å; L331-H334 WeakPolarHBondContact O-CB 3.46Å; L331-H334 PolarHBondContact O-N 3.08Å; L331-L335 HydrophobicContact CD1-CG 4.24Å; L331-L335 HydrophobicContact CG-CD1 4.41Å; L331-L335 HydrophobicContact CG-CG 4.4Å; L331-L335 WeakPolarHBondContact O-CG 3.46Å; L331-L335 PolarHBondContact O-N 2.9Å |
| 332 | K | 80.8 | Confident | 79.5 | Confident | 75 Ų | 75 | 68.3 Ų | 68.3 | 33% | 0.326 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -58.8 | -33.8 | 174.7 | -164.1 | 171.8 | -173.6 | 177.7 | 0 | 111.1 | D290 Y293 K328 A329 | D290-K332 IonicContact OD1-NZ 3.75Å; D290-K332 PolarHBondContact OD1-NZ 3.27Å; Y293-K332 HydrophobicContact CD1-CG 4.46Å; Y293-K332 HydrophobicContact CE1-CG 4.03Å; K328-K332 PolarHBondContact O-N 2.94Å; A329-K332 PolarHBondContact O-N 2.89Å |
| 333 | R | 80.2 | Confident | 79.5 | Confident | 82 Ų | 82 | 67.1 Ų | 67.1 | 31% | 0.309 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -70.6 | -33.7 | 170.6 | -170.1 | -178.7 | 69 | -117.4 | -8 | 113.7 | A329 D330 L331 R355 | A329-R333 WeakPolarHBondContact O-CB 3.41Å; A329-R333 PolarHBondContact O-N 2.9Å; D330-R333 IonicContact OD1-CZ 3.45Å; D330-R333 IonicContact OD1-NH1 3.24Å; D330-R333 PolarHBondContact OD1-NH1 3.31Å; D330-R333 IonicContact OD1-NH2 2.68Å; D330-R333 PolarHBondContact OD1-NH2 3.34Å; L331-R333 PolarHBondContact O-N 2.8Å; R333-R355 HydrophobicContact CG-CG 4.16Å |
| 334 | H | 81.9 | Confident | 79.7 | Confident | 26 Ų | 26 | 66 Ų | 66 | 12% | 0.12 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -71.8 | -42.8 | 176.6 | 168.2 | 82.4 | 0 | 0 | 0 | 111.9 | C318 C321 H323 D330 L331 R336 C337 H338 | C318-H334 WeakPolarHBondContact CB-NE2 3.41Å; C318-H334 PolarHBondContact SG-CD2 2.99Å; C318-H334 PolarHBondContact SG-NE2 3.24Å; C321-H334 VanDerWaalsContact SG-CE1 3.54Å; C321-H334 PolarHBondContact SG-NE2 3.36Å; H323-H334 AromaticContact CG-CE1 3.61Å; H323-H334 AromaticContact CG-ND1 3.75Å; H323-H334 AromaticContact ND1-CE1 3.89Å; H323-H334 AromaticContact ND1-CG 3.97Å; H323-H334 AromaticContact ND1-ND1 3.61Å; D330-H334 WeakPolarHBondContact O-CB 3.33Å; D330-H334 PolarHBondContact O-N 3.49Å; L331-H334 HydrophobicContact CD1-CB 4.42Å; L331-H334 CarbonylContact O-C 3.53Å; L331-H334 WeakPolarHBondContact O-CA 3.33Å; L331-H334 WeakPolarHBondContact O-CB 3.46Å; L331-H334 PolarHBondContact O-N 3.08Å; H334-R336 PolarHBondContact O-N 2.92Å; H334-C337 PolarHBondContact O-N 2.81Å; H334-C337 PolarHBondContact O-SG 3Å; H334-H338 AromaticContact NE2-CD2 3.89Å; H334-H338 AromaticContact NE2-NE2 3.57Å |
| 335 | L | 80.9 | Confident | 79.4 | Confident | 4 Ų | 4 | 65.7 Ų | 65.7 | 2% | 0.021 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -53.4 | -28.6 | 178.6 | -72.1 | 171.3 | 0 | 0 | 0 | 113.5 | Y293 L296 P319 F320 L331 C337 H338 T339 | Y293-L335 HydrophobicContact CD1-CD1 4.34Å; Y293-L335 HydrophobicContact CE1-CB 4.13Å; Y293-L335 HydrophobicContact CE1-CD1 4.03Å; L296-L335 HydrophobicContact CD1-CD1 4.17Å; P319-L335 HydrophobicContact CG-CD2 4.31Å; F320-L335 HydrophobicContact CD2-CD2 3.9Å; F320-L335 HydrophobicContact CE2-CD2 4.14Å; L331-L335 HydrophobicContact CD1-CG 4.24Å; L331-L335 HydrophobicContact CG-CD1 4.41Å; L331-L335 HydrophobicContact CG-CG 4.4Å; L331-L335 WeakPolarHBondContact O-CG 3.46Å; L331-L335 PolarHBondContact O-N 2.9Å; L335-C337 PolarHBondContact O-N 2.8Å; L335-C337 VanDerWaalsContact O-N 3.09Å; L335-H338 WeakPolarHBondContact O-CA 3.25Å; L335-H338 WeakPolarHBondContact O-CB 3.28Å; L335-H338 PolarHBondContact O-N 3.21Å; L335-T339 PolarHBondContact O-N 2.74Å; L335-T339 PolarHBondContact O-OG1 3.04Å |
| 336 | R | 82.1 | Confident | 79.3 | Confident | 51 Ų | 51 | 65 Ų | 65 | 19% | 0.192 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -17.7 | 172.5 | -61.1 | -179.1 | -174.1 | 172.1 | -0 | 115 | H334 T339 G340 E341 Y344 T354 | H334-R336 PolarHBondContact O-N 2.92Å; R336-T339 WeakPolarHBondContact CA-OG1 3.2Å; R336-G340 PolarHBondContact O-N 3.14Å; R336-E341 HydrophobicContact CB-CB 4.38Å; R336-E341 HydrophobicContact CG-CB 4.27Å; R336-E341 PolarHBondContact O-N 2.82Å; R336-Y344 PolarHBondContact NH1-OH 2.8Å; R336-T354 PolarHBondContact NH1-O 3.32Å |
| 337 | C | 79.3 | Confident | 79 | Confident | 85 Ų | 85 | 67.2 Ų | 67.2 | 57% | 0.574 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | -20.4 | 171.2 | 76.8 | 0 | 0 | 0 | 0 | 113.4 | H334 L335 | H334-C337 PolarHBondContact O-N 2.81Å; H334-C337 PolarHBondContact O-SG 3Å; L335-C337 PolarHBondContact O-N 2.8Å; L335-C337 VanDerWaalsContact O-N 3.09Å |
| 338 | H | 76.2 | Confident | 78.4 | Confident | 79 Ų | 79 | 63.8 Ų | 63.8 | 37% | 0.366 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | -40.7 | 174.4 | -67.5 | -81.8 | 0 | 0 | 0 | 111.5 | F320 C321 H334 L335 G340 | F320-H338 WeakPolarHBondContact CB-CE1 3.43Å; F320-H338 WeakPolarHBondContact CB-ND1 3.2Å; F320-H338 HydrophobicContact CD2-CB 4.07Å; C321-H338 PolarHBondContact SG-NE2 3.43Å; H334-H338 AromaticContact NE2-CD2 3.89Å; H334-H338 AromaticContact NE2-NE2 3.57Å; L335-H338 WeakPolarHBondContact O-CA 3.25Å; L335-H338 WeakPolarHBondContact O-CB 3.28Å; L335-H338 PolarHBondContact O-N 3.21Å; H338-G340 VanDerWaalsContact C-N 3.29Å; H338-G340 PolarHBondContact O-N 3.32Å |
| 339 | T | 76.8 | Confident | 78.3 | Confident | 66 Ų | 66 | 59.8 Ų | 59.8 | 41% | 0.405 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -76.9 | -12.5 | 175.6 | 61.5 | 0 | 0 | 0 | 0 | 113.7 | L335 R336 E341 | L335-T339 PolarHBondContact O-N 2.74Å; L335-T339 PolarHBondContact O-OG1 3.04Å; R336-T339 WeakPolarHBondContact CA-OG1 3.2Å; T339-E341 PolarHBondContact O-N 2.89Å; T339-E341 VanDerWaalsContact OG1-CG 3.32Å; T339-E341 WeakPolarHBondContact OG1-CG 3.4Å; T339-E341 PolarHBondContact OG1-OE2 3.25Å |
| 340 | G | 77 | Confident | 78.2 | Confident | 52 Ų | 52 | 63.4 Ų | 63.4 | 54% | 0.536 | 34% | 0.338 | S | S | . | . | trans | 70.8 | 5.8 | -177 | 0 | 0 | 0 | 0 | 0 | 114.7 | R336 H338 R342 | R336-G340 PolarHBondContact O-N 3.14Å; H338-G340 VanDerWaalsContact C-N 3.29Å; H338-G340 PolarHBondContact O-N 3.32Å; G340-R342 WeakPolarHBondContact O-CG 3.47Å; G340-R342 PolarHBondContact O-N 2.8Å | ||
| 341 | E | 75.7 | Confident | 77.8 | Confident | 45 Ų | 45 | 65.6 Ų | 65.6 | 21% | 0.21 | 35% | 0.347 | C | S | . | . | trans | -61.8 | 121.2 | -175 | -75.8 | 178.8 | 134.6 | 0 | 0 | 113 | Y293 R336 T339 P343 | Y293-E341 PolarHBondContact OH-OE2 3.27Å; R336-E341 HydrophobicContact CB-CB 4.38Å; R336-E341 HydrophobicContact CG-CB 4.27Å; R336-E341 PolarHBondContact O-N 2.82Å; T339-E341 PolarHBondContact O-N 2.89Å; T339-E341 VanDerWaalsContact OG1-CG 3.32Å; T339-E341 WeakPolarHBondContact OG1-CG 3.4Å; T339-E341 PolarHBondContact OG1-OE2 3.25Å; E341-P343 VanDerWaalsContact C-CD 3.46Å; E341-P343 VanDerWaalsContact O-CD 3.28Å; E341-P343 WeakPolarHBondContact O-CD 3.41Å | ||
| 342 | R | 79.1 | Confident | 77.9 | Confident | 133 Ų | 133 | 72.4 Ų | 72.4 | 50% | 0.502 | 37% | 0.373 | S | S | . | . | trans | -120.7 | 76 | 177.6 | -64.5 | 166.8 | 80.7 | 141.2 | 3.6 | 109.7 | G340 Y344 R352 F353 T354 | G340-R342 WeakPolarHBondContact O-CG 3.47Å; G340-R342 PolarHBondContact O-N 2.8Å; R342-Y344 VanDerWaalsContact C-N 3.31Å; R342-Y344 PolarHBondContact O-N 3.42Å; R342-R352 HydrophobicContact CB-CB 3.62Å; R342-R352 VanDerWaalsContact CZ-O 3.26Å; R342-R352 PolarHBondContact NE-O 2.72Å; R342-R352 PolarHBondContact NH2-O 2.73Å; R342-R352 PolarHBondContact O-NE 2.88Å; R342-R352 PolarHBondContact O-NH2 3.16Å; R342-F353 CarbonylContact C-O 3.57Å; R342-F353 VanDerWaalsContact C-O 3.27Å; R342-F353 VanDerWaalsContact CA-O 3.28Å; R342-F353 WeakPolarHBondContact CA-O 3.49Å; R342-T354 HydrophobicContact CG-CG2 3.82Å | ||
| 343 | P | 79.3 | Confident | 77.9 | Confident | 60 Ų | 60 | 70.5 Ų | 70.5 | 39% | 0.39 | 36% | 0.364 | S | S | . | . | trans | -77.3 | -9.2 | -171.4 | 30.7 | -35.7 | 0 | 0 | 0 | 114.4 | E341 P345 | E341-P343 VanDerWaalsContact C-CD 3.46Å; E341-P343 VanDerWaalsContact O-CD 3.28Å; E341-P343 WeakPolarHBondContact O-CD 3.41Å; P343-P345 WeakPolarHBondContact O-CD 3.44Å | ||
| 344 | Y | 83.1 | Confident | 78 | Confident | 66 Ų | 66 | 68.7 Ų | 68.7 | 26% | 0.259 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 92.4 | -178 | -52.3 | -76.2 | 0 | 0 | 0 | 111.4 | R336 R342 R352 F353 T354 R355 L356 | R336-Y344 PolarHBondContact NH1-OH 2.8Å; R342-Y344 VanDerWaalsContact C-N 3.31Å; R342-Y344 PolarHBondContact O-N 3.42Å; Y344-R352 CarbonylContact O-C 3.59Å; Y344-R352 WeakPolarHBondContact O-CA 3.15Å; Y344-F353 WeakPolarHBondContact CD2-O 3.28Å; Y344-F353 PolarHBondContact N-O 3.38Å; Y344-F353 VanDerWaalsContact N-O 3.16Å; Y344-F353 PolarHBondContact O-N 2.72Å; Y344-T354 WeakPolarHBondContact CE2-O 2.94Å; Y344-R355 VanDerWaalsContact CE2-CA 3.48Å; Y344-L356 HydrophobicContact CD1-CB 4.14Å; Y344-L356 HydrophobicContact CD1-CD1 3.92Å; Y344-L356 HydrophobicContact CE1-CB 3.96Å; Y344-L356 HydrophobicContact CE1-CD1 4.26Å |
| 345 | P | 76.3 | Confident | 77.9 | Confident | 66 Ų | 66 | 71.4 Ų | 71.4 | 43% | 0.429 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 144.1 | 171.9 | 32.2 | -35.1 | 0 | 0 | 0 | 112 | P343 K351 R352 L359 | P343-P345 WeakPolarHBondContact O-CD 3.44Å; P345-K351 CarbonylContact C-O 3.53Å; P345-R352 HydrophobicContact CB-CG 4.33Å; P345-L359 WeakPolarHBondContact O-CD2 3.11Å |
| 346 | C | 77.8 | Confident | 77.9 | Confident | 2 Ų | 2 | 75 Ų | 75 | 1% | 0.014 | 39% | 0.39 | C | S | . | . | trans | -84.8 | 112.8 | 165.9 | -176.4 | 0 | 0 | 0 | 0 | 109.6 | A348 C349 N350 K351 F353 L359 | C346-A348 PolarHBondContact O-N 3.18Å; C346-A348 VanDerWaalsContact O-N 3.14Å; C346-C349 PolarHBondContact O-N 2.78Å; C346-N350 WeakPolarHBondContact O-CA 3.43Å; C346-N350 PolarHBondContact O-N 2.74Å; C346-K351 PolarHBondContact N-O 3.14Å; C346-F353 HydrophobicContact CB-CE2 4.33Å; C346-L359 HydrophobicContact CB-CD1 3.52Å | ||
| 347 | Q | 74.5 | Confident | 77.9 | Confident | 186 Ų | 186 | 77.3 Ų | 77.3 | 87% | 0.869 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -25.3 | -179.8 | -70.1 | 169.1 | -36.7 | 0 | 0 | 113.3 | ||
| 348 | A | 67.6 | Low | 78 | Confident | 55 Ų | 55 | 77.1 Ų | 77.1 | 46% | 0.455 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -5.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | C346 F363 H367 | C346-A348 PolarHBondContact O-N 3.18Å; C346-A348 VanDerWaalsContact O-N 3.14Å; A348-F363 HydrophobicContact CB-CE2 4.11Å; A348-H367 HydrophobicContact CB-CB 4.46Å; A348-H367 WeakPolarHBondContact CB-ND1 2.96Å; A348-H367 PolarHBondContact O-CE1 3.36Å |
| 349 | C | 75.1 | Confident | 78.3 | Confident | 48 Ų | 48 | 74.6 Ų | 74.6 | 32% | 0.324 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -157.1 | 13.9 | 173.4 | 68 | 0 | 0 | 0 | 0 | 115.3 | C346 K351 H362 H367 | C346-C349 PolarHBondContact O-N 2.78Å; C349-K351 PolarHBondContact O-N 2.9Å; C349-H362 PolarHBondContact SG-NE2 3.02Å; C349-H367 PolarHBondContact SG-NE2 3.23Å |
| 350 | N | 75.7 | Confident | 78.5 | Confident | 129 Ų | 129 | 78.9 Ų | 78.9 | 69% | 0.69 | 39% | 0.392 | S | S | * | . | trans | 53.3 | 9.6 | -178.7 | -64.4 | -38.1 | 0 | 0 | 0 | 117 | C346 R352 | C346-N350 WeakPolarHBondContact O-CA 3.43Å; C346-N350 PolarHBondContact O-N 2.74Å; N350-R352 PolarHBondContact O-N 2.96Å | ||
| 351 | K | 74.1 | Confident | 78.6 | Confident | 67 Ų | 67 | 79.5 Ų | 79.5 | 29% | 0.291 | 39% | 0.388 | S | S | . | . | trans | -66.1 | 128.9 | 174.1 | -73.4 | -173.3 | 174.7 | -170 | 0 | 111.5 | P345 C346 C349 F353 | P345-K351 CarbonylContact C-O 3.53Å; C346-K351 PolarHBondContact N-O 3.14Å; C349-K351 PolarHBondContact O-N 2.9Å; K351-F353 HydrophobicContact CB-CE2 3.76Å; K351-F353 HydrophobicContact CB-CZ 4.06Å; K351-F353 WeakPolarHBondContact O-CD2 3.46Å; K351-F353 VanDerWaalsContact O-CE2 3.28Å; K351-F353 WeakPolarHBondContact O-CE2 3.24Å | ||
| 352 | R | 82.1 | Confident | 78.8 | Confident | 144 Ų | 144 | 78.4 Ų | 78.4 | 54% | 0.543 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 140.7 | -178 | -55.6 | -178.9 | 65 | 156.5 | 2.1 | 112.2 | R342 Y344 P345 N350 | R342-R352 HydrophobicContact CB-CB 3.62Å; R342-R352 VanDerWaalsContact CZ-O 3.26Å; R342-R352 PolarHBondContact NE-O 2.72Å; R342-R352 PolarHBondContact NH2-O 2.73Å; R342-R352 PolarHBondContact O-NE 2.88Å; R342-R352 PolarHBondContact O-NH2 3.16Å; Y344-R352 CarbonylContact O-C 3.59Å; Y344-R352 WeakPolarHBondContact O-CA 3.15Å; P345-R352 HydrophobicContact CB-CG 4.33Å; N350-R352 PolarHBondContact O-N 2.96Å |
| 353 | F | 82 | Confident | 78.7 | Confident | 35 Ų | 35 | 75.6 Ų | 75.6 | 15% | 0.154 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 152.5 | -178.6 | -61.8 | -91.1 | 0 | 0 | 0 | 111.7 | R342 Y344 C346 K351 H358 L359 H362 | R342-F353 CarbonylContact C-O 3.57Å; R342-F353 VanDerWaalsContact C-O 3.27Å; R342-F353 VanDerWaalsContact CA-O 3.28Å; R342-F353 WeakPolarHBondContact CA-O 3.49Å; Y344-F353 WeakPolarHBondContact CD2-O 3.28Å; Y344-F353 PolarHBondContact N-O 3.38Å; Y344-F353 VanDerWaalsContact N-O 3.16Å; Y344-F353 PolarHBondContact O-N 2.72Å; C346-F353 HydrophobicContact CB-CE2 4.33Å; K351-F353 HydrophobicContact CB-CE2 3.76Å; K351-F353 HydrophobicContact CB-CZ 4.06Å; K351-F353 WeakPolarHBondContact O-CD2 3.46Å; K351-F353 VanDerWaalsContact O-CE2 3.28Å; K351-F353 WeakPolarHBondContact O-CE2 3.24Å; F353-H358 HydrophobicContact CB-CB 4.4Å; F353-H358 HydrophobicContact CD1-CB 3.91Å; F353-H358 HydrophobicContact CG-CB 4.45Å; F353-L359 HydrophobicContact CB-CB 4.34Å; F353-L359 HydrophobicContact CD2-CB 4.07Å; F353-L359 HydrophobicContact CD2-CD1 4.01Å; F353-L359 HydrophobicContact CE2-CD1 4.21Å; F353-L359 HydrophobicContact CG-CB 4.31Å; F353-H362 HydrophobicContact CE1-CB 4.07Å; F353-H362 HydrophobicContact CE2-CB 4.24Å; F353-H362 AromaticContact CE2-CD2 3.25Å; F353-H362 WeakPolarHBondContact CE2-CD2 3.43Å; F353-H362 AromaticContact CE2-CG 3.91Å; F353-H362 AromaticContact CE2-NE2 3.99Å; F353-H362 HydrophobicContact CZ-CB 3.69Å; F353-H362 AromaticContact CZ-CD2 3.2Å; F353-H362 WeakPolarHBondContact CZ-CD2 3.43Å; F353-H362 AromaticContact CZ-CG 3.41Å; F353-H362 VanDerWaalsContact CZ-CG 3.41Å; F353-H362 AromaticContact CZ-NE2 3.89Å |
| 354 | T | 80.8 | Confident | 78.5 | Confident | 43 Ų | 43 | 76.3 Ų | 76.3 | 26% | 0.264 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -79.7 | -18.9 | 177.6 | 52.3 | 0 | 0 | 0 | 0 | 113.2 | R336 R342 Y344 | R336-T354 PolarHBondContact NH1-O 3.32Å; R342-T354 HydrophobicContact CG-CG2 3.82Å; Y344-T354 WeakPolarHBondContact CE2-O 2.94Å |
| 355 | R | 81.6 | Confident | 77.8 | Confident | 84 Ų | 84 | 76.2 Ų | 76.2 | 32% | 0.317 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -140.2 | 144.3 | -176.7 | -53.8 | -175.5 | -172.9 | 176.9 | 5.4 | 112 | R333 Y344 E357 H358 L359 | R333-R355 HydrophobicContact CG-CG 4.16Å; Y344-R355 VanDerWaalsContact CE2-CA 3.48Å; R355-E357 VanDerWaalsContact C-N 3.32Å; R355-E357 HydrophobicContact CB-CG 3.95Å; R355-E357 WeakPolarHBondContact CD-OE1 3.37Å; R355-E357 IonicContact CZ-OE1 2.76Å; R355-E357 IonicContact NE-OE1 2.79Å; R355-E357 IonicContact NH1-OE1 3.52Å; R355-E357 PolarHBondContact NH1-OE1 2.98Å; R355-E357 PolarHBondContact O-N 2.94Å; R355-H358 PolarHBondContact O-N 2.96Å; R355-L359 PolarHBondContact O-N 3.14Å |
| 356 | L | 80.8 | Confident | 77.4 | Confident | 79 Ų | 79 | 75 Ų | 75 | 41% | 0.414 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -62.5 | -36.1 | 177 | -172.8 | 66.4 | 0 | 0 | 0 | 112.5 | Y344 H358 L359 R360 | Y344-L356 HydrophobicContact CD1-CB 4.14Å; Y344-L356 HydrophobicContact CD1-CD1 3.92Å; Y344-L356 HydrophobicContact CE1-CB 3.96Å; Y344-L356 HydrophobicContact CE1-CD1 4.26Å; L356-H358 VanDerWaalsContact C-N 3.29Å; L356-H358 PolarHBondContact O-N 3.38Å; L356-L359 HydrophobicContact CD1-CD2 4.42Å; L356-L359 PolarHBondContact O-N 3.05Å; L356-R360 WeakPolarHBondContact O-CB 3.22Å; L356-R360 PolarHBondContact O-N 3.25Å |
| 357 | E | 80.6 | Confident | 77 | Confident | 99 Ų | 99 | 77.9 Ų | 77.9 | 46% | 0.463 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -60.1 | -37.1 | 176.9 | 73 | -165.8 | -179.1 | 0 | 0 | 112.7 | R355 S361 | R355-E357 VanDerWaalsContact C-N 3.32Å; R355-E357 HydrophobicContact CB-CG 3.95Å; R355-E357 WeakPolarHBondContact CD-OE1 3.37Å; R355-E357 IonicContact CZ-OE1 2.76Å; R355-E357 IonicContact NE-OE1 2.79Å; R355-E357 IonicContact NH1-OE1 3.52Å; R355-E357 PolarHBondContact NH1-OE1 2.98Å; R355-E357 PolarHBondContact O-N 2.94Å; E357-S361 WeakPolarHBondContact O-CB 3.42Å; E357-S361 PolarHBondContact O-N 3.49Å |
| 358 | H | 81 | Confident | 76.6 | Confident | 81 Ų | 81 | 73.3 Ų | 73.3 | 38% | 0.375 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -75.4 | -35.8 | 177.7 | -61.1 | -23 | 0 | 0 | 0 | 111.5 | F353 R355 L356 H362 | F353-H358 HydrophobicContact CB-CB 4.4Å; F353-H358 HydrophobicContact CD1-CB 3.91Å; F353-H358 HydrophobicContact CG-CB 4.45Å; R355-H358 PolarHBondContact O-N 2.96Å; L356-H358 VanDerWaalsContact C-N 3.29Å; L356-H358 PolarHBondContact O-N 3.38Å; H358-H362 WeakPolarHBondContact O-CB 3.36Å; H358-H362 PolarHBondContact O-N 2.97Å |
| 359 | L | 84.4 | Confident | 75.9 | Confident | 27 Ų | 27 | 73.9 Ų | 73.9 | 14% | 0.141 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -63.3 | -47.2 | 170.2 | 172.2 | 58.8 | 0 | 0 | 0 | 111 | P345 C346 F353 R355 L356 H362 F363 | P345-L359 WeakPolarHBondContact O-CD2 3.11Å; C346-L359 HydrophobicContact CB-CD1 3.52Å; F353-L359 HydrophobicContact CB-CB 4.34Å; F353-L359 HydrophobicContact CD2-CB 4.07Å; F353-L359 HydrophobicContact CD2-CD1 4.01Å; F353-L359 HydrophobicContact CE2-CD1 4.21Å; F353-L359 HydrophobicContact CG-CB 4.31Å; R355-L359 PolarHBondContact O-N 3.14Å; L356-L359 HydrophobicContact CD1-CD2 4.42Å; L356-L359 PolarHBondContact O-N 3.05Å; L359-H362 PolarHBondContact O-N 2.83Å; L359-F363 WeakPolarHBondContact O-CB 3.3Å; L359-F363 PolarHBondContact O-N 3.41Å |
| 360 | R | 80.1 | Confident | 74.9 | Confident | 155 Ų | 155 | 80.6 Ų | 80.6 | 59% | 0.585 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -59.1 | -50.3 | 178.4 | -172.3 | -173.3 | -65.6 | 169.7 | -1.9 | 111.4 | L356 H362 F363 E364 | L356-R360 WeakPolarHBondContact O-CB 3.22Å; L356-R360 PolarHBondContact O-N 3.25Å; R360-H362 PolarHBondContact O-N 3.48Å; R360-F363 PolarHBondContact O-N 3.24Å; R360-E364 WeakPolarHBondContact O-CB 3.4Å; R360-E364 PolarHBondContact O-N 2.83Å |
| 361 | S | 78.8 | Confident | 74 | Confident | 66 Ų | 66 | 80.8 Ų | 80.8 | 46% | 0.462 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -62.4 | -40.3 | 177 | 177.8 | 0 | 0 | 0 | 0 | 112.2 | E357 T365 | E357-S361 WeakPolarHBondContact O-CB 3.42Å; E357-S361 PolarHBondContact O-N 3.49Å; S361-T365 WeakPolarHBondContact O-CB 3.38Å; S361-T365 VanDerWaalsContact O-CG2 3.31Å; S361-T365 WeakPolarHBondContact O-CG2 3.49Å; S361-T365 PolarHBondContact O-N 3.23Å; S361-T365 PolarHBondContact O-OG1 3.36Å |
| 362 | H | 79.8 | Confident | 73.7 | Confident | 22 Ų | 22 | 78 Ų | 78 | 10% | 0.102 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -61.9 | -43.7 | 173.5 | 169 | 47.2 | 0 | 0 | 0 | 112 | C349 F353 H358 L359 R360 T365 I366 H367 | C349-H362 PolarHBondContact SG-NE2 3.02Å; F353-H362 HydrophobicContact CE1-CB 4.07Å; F353-H362 HydrophobicContact CE2-CB 4.24Å; F353-H362 AromaticContact CE2-CD2 3.25Å; F353-H362 WeakPolarHBondContact CE2-CD2 3.43Å; F353-H362 AromaticContact CE2-CG 3.91Å; F353-H362 AromaticContact CE2-NE2 3.99Å; F353-H362 HydrophobicContact CZ-CB 3.69Å; F353-H362 AromaticContact CZ-CD2 3.2Å; F353-H362 WeakPolarHBondContact CZ-CD2 3.43Å; F353-H362 AromaticContact CZ-CG 3.41Å; F353-H362 VanDerWaalsContact CZ-CG 3.41Å; F353-H362 AromaticContact CZ-NE2 3.89Å; H358-H362 WeakPolarHBondContact O-CB 3.36Å; H358-H362 PolarHBondContact O-N 2.97Å; L359-H362 PolarHBondContact O-N 2.83Å; R360-H362 PolarHBondContact O-N 3.48Å; H362-T365 PolarHBondContact O-N 2.99Å; H362-T365 PolarHBondContact O-OG1 3.31Å; H362-I366 WeakPolarHBondContact ND1-CG1 3.47Å; H362-I366 VanDerWaalsContact O-CB 3.25Å; H362-I366 WeakPolarHBondContact O-CB 3.47Å; H362-I366 WeakPolarHBondContact O-CG1 3.36Å; H362-I366 PolarHBondContact O-N 2.96Å; H362-H367 AromaticContact CE1-NE2 3.84Å; H362-H367 AromaticContact NE2-NE2 3.75Å |
| 363 | F | 77.3 | Confident | 73.2 | Confident | 74 Ų | 74 | 74 Ų | 74 | 33% | 0.325 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -64.1 | -50.6 | 178.6 | -163.1 | -108.3 | 0 | 0 | 0 | 111.1 | A348 L359 R360 T365 I366 H367 Q368 | A348-F363 HydrophobicContact CB-CE2 4.11Å; L359-F363 WeakPolarHBondContact O-CB 3.3Å; L359-F363 PolarHBondContact O-N 3.41Å; R360-F363 PolarHBondContact O-N 3.24Å; F363-T365 VanDerWaalsContact C-N 3.28Å; F363-T365 PolarHBondContact O-N 3.23Å; F363-I366 PolarHBondContact O-N 2.95Å; F363-H367 HydrophobicContact CD2-CB 3.78Å; F363-H367 HydrophobicContact CE2-CB 3.88Å; F363-H367 HydrophobicContact CG-CB 4.35Å; F363-H367 CarbonylContact O-C 3.57Å; F363-H367 WeakPolarHBondContact O-CA 3.42Å; F363-H367 PolarHBondContact O-N 3.45Å; F363-Q368 HydrophobicContact CD1-CB 3.74Å; F363-Q368 HydrophobicContact CE1-CB 3.73Å; F363-Q368 HydrophobicContact CE1-CG 4.32Å; F363-Q368 PolarHBondContact O-N 2.92Å |
| 364 | E | 74.3 | Confident | 73 | Confident | 74 Ų | 74 | 72.3 Ų | 72.3 | 35% | 0.346 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -67.6 | -20.9 | -179.9 | -168.2 | 171 | -155.2 | 0 | 0 | 114.2 | R360 Q368 R370 | R360-E364 WeakPolarHBondContact O-CB 3.4Å; R360-E364 PolarHBondContact O-N 2.83Å; E364-Q368 VanDerWaalsContact O-O 3.05Å; E364-R370 HydrophobicContact CG-CB 4.41Å; E364-R370 VanDerWaalsContact OE1-CD 3.22Å; E364-R370 WeakPolarHBondContact OE1-CD 3.14Å; E364-R370 IonicContact OE1-NH1 3.54Å |
| 365 | T | 68.4 | Low | 72.8 | Confident | 64 Ų | 64 | 76.2 Ų | 76.2 | 39% | 0.393 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -99.6 | -19.7 | 178 | 56.8 | 0 | 0 | 0 | 0 | 115 | S361 H362 F363 L372 | S361-T365 WeakPolarHBondContact O-CB 3.38Å; S361-T365 VanDerWaalsContact O-CG2 3.31Å; S361-T365 WeakPolarHBondContact O-CG2 3.49Å; S361-T365 PolarHBondContact O-N 3.23Å; S361-T365 PolarHBondContact O-OG1 3.36Å; H362-T365 PolarHBondContact O-N 2.99Å; H362-T365 PolarHBondContact O-OG1 3.31Å; F363-T365 VanDerWaalsContact C-N 3.28Å; F363-T365 PolarHBondContact O-N 3.23Å; T365-L372 WeakPolarHBondContact O-CD2 3.45Å |
| 366 | I | 69.8 | Low | 72.5 | Confident | 42 Ų | 42 | 77.9 Ų | 77.9 | 22% | 0.215 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -117 | -32.7 | -175.9 | -55.8 | -60.8 | 0 | 0 | 0 | 113.2 | H362 F363 | H362-I366 WeakPolarHBondContact ND1-CG1 3.47Å; H362-I366 VanDerWaalsContact O-CB 3.25Å; H362-I366 WeakPolarHBondContact O-CB 3.47Å; H362-I366 WeakPolarHBondContact O-CG1 3.36Å; H362-I366 PolarHBondContact O-N 2.96Å; F363-I366 PolarHBondContact O-N 2.95Å |
| 367 | H | 68.9 | Low | 72.4 | Confident | 61 Ų | 61 | 76.2 Ų | 76.2 | 28% | 0.282 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.1 | -36.3 | -168.9 | -65.5 | -72.9 | 0 | 0 | 0 | 114.8 | A348 C349 H362 F363 | A348-H367 HydrophobicContact CB-CB 4.46Å; A348-H367 WeakPolarHBondContact CB-ND1 2.96Å; A348-H367 PolarHBondContact O-CE1 3.36Å; C349-H367 PolarHBondContact SG-NE2 3.23Å; H362-H367 AromaticContact CE1-NE2 3.84Å; H362-H367 AromaticContact NE2-NE2 3.75Å; F363-H367 HydrophobicContact CD2-CB 3.78Å; F363-H367 HydrophobicContact CE2-CB 3.88Å; F363-H367 HydrophobicContact CG-CB 4.35Å; F363-H367 CarbonylContact O-C 3.57Å; F363-H367 WeakPolarHBondContact O-CA 3.42Å; F363-H367 PolarHBondContact O-N 3.45Å |
| 368 | Q | 65.8 | Low | 72.1 | Confident | 91 Ų | 91 | 79.8 Ų | 79.8 | 43% | 0.425 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -114.9 | 85.5 | -175.2 | -174.9 | 165.8 | 65.1 | 0 | 0 | 109.4 | F363 E364 R370 | F363-Q368 HydrophobicContact CD1-CB 3.74Å; F363-Q368 HydrophobicContact CE1-CB 3.73Å; F363-Q368 HydrophobicContact CE1-CG 4.32Å; F363-Q368 PolarHBondContact O-N 2.92Å; E364-Q368 VanDerWaalsContact O-O 3.05Å; Q368-R370 PolarHBondContact O-N 3.12Å |
| 369 | A | 52.4 | Low | 71.9 | Confident | 67 Ų | 67 | 81 Ų | 81 | 55% | 0.554 | 38% | 0.379 | S | S | * | . | trans | -60.4 | 108.5 | -166.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | L372 | A369-L372 HydrophobicContact CB-CG 4.35Š| ||
| 370 | R | 54.3 | Low | 71.2 | Confident | 188 Ų | 188 | 86.1 Ų | 86.1 | 71% | 0.709 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -109.5 | -43 | 156.4 | -87.7 | 177.7 | 159.8 | 177.5 | -4.2 | 112.9 | E364 Q368 | E364-R370 HydrophobicContact CG-CB 4.41Å; E364-R370 VanDerWaalsContact OE1-CD 3.22Å; E364-R370 WeakPolarHBondContact OE1-CD 3.14Å; E364-R370 IonicContact OE1-NH1 3.54Å; Q368-R370 PolarHBondContact O-N 3.12Å |
| 371 | K | 57.1 | Low | 70.7 | Confident | 133 Ų | 133 | 79.6 Ų | 79.6 | 58% | 0.578 | 38% | 0.38 | S | S | * | . | trans | -146.9 | 99.7 | 166.2 | -60.8 | -171.7 | 179.8 | 175.8 | 0 | 109.5 | V373 | K371-V373 HydrophobicContact CB-CG2 3.94Å; K371-V373 PolarHBondContact O-N 2.99Å | ||
| 372 | L | 66.6 | Low | 70.4 | Confident | 8 Ų | 8 | 80 Ų | 80 | 4% | 0.042 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 125.7 | 162.5 | -59.9 | 173.8 | 0 | 0 | 0 | 107 | T365 A369 Q380 V381 E383 | T365-L372 WeakPolarHBondContact O-CD2 3.45Å; A369-L372 HydrophobicContact CB-CG 4.35Å; L372-Q380 CarbonylContact O-C 3.57Å; L372-Q380 WeakPolarHBondContact O-CA 3.35Å; L372-V381 WeakPolarHBondContact CB-O 3.46Å; L372-V381 PolarHBondContact O-N 3.09Å; L372-E383 HydrophobicContact CD1-CG 3.6Å |
| 373 | V | 71.9 | Confident | 69.6 | Low | 61 Ų | 61 | 85.1 Ų | 85.1 | 37% | 0.37 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 135.2 | -171.7 | 174 | 0 | 0 | 0 | 0 | 110.7 | K371 R375 R379 Q380 | K371-V373 HydrophobicContact CB-CG2 3.94Å; K371-V373 PolarHBondContact O-N 2.99Å; V373-R375 PolarHBondContact O-N 2.93Å; V373-R379 WeakPolarHBondContact CA-O 3.38Å; V373-Q380 HydrophobicContact CG2-CG 4.49Å |
| 374 | C | 78.4 | Confident | 68.8 | Low | 0 Ų | 0 | 90.5 Ų | 90.5 | 0% | 0 | 43% | 0.43 | C | S | . | . | trans | -70.3 | 121.7 | 175.6 | 175.9 | 0 | 0 | 0 | 0 | 110.6 | K376 C377 K378 R379 V381 C399 | C374-K376 PolarHBondContact O-N 2.63Å; C374-K376 VanDerWaalsContact O-N 3.15Å; C374-C377 VanDerWaalsContact CB-SG 3.56Å; C374-C377 PolarHBondContact SG-SG 2.78Å; C374-K378 VanDerWaalsContact O-CA 3.26Å; C374-K378 WeakPolarHBondContact O-CA 3.34Å; C374-K378 PolarHBondContact O-N 3.23Å; C374-R379 PolarHBondContact N-O 3.47Å; C374-V381 HydrophobicContact CB-CG2 3.82Å; C374-V381 VanDerWaalsContact N-CG2 3.34Å; C374-C399 HydrophobicContact CB-CB 4.24Å; C374-C399 PolarHBondContact SG-N 2.92Å; C374-C399 VanDerWaalsContact SG-N 3.39Å; C374-C399 VanDerWaalsContact SG-SG 3.69Å | ||
| 375 | R | 77.8 | Confident | 68.6 | Low | 124 Ų | 124 | 89 Ų | 89 | 47% | 0.468 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -30.3 | -179.4 | -173.2 | -179 | 169.9 | -146.1 | -9.5 | 113.7 | V373 E391 Y396 R397 | V373-R375 PolarHBondContact O-N 2.93Å; R375-E391 IonicContact CZ-OE2 3.18Å; R375-E391 IonicContact NH1-OE2 2.72Å; R375-E391 PolarHBondContact NH1-OE2 3.21Å; R375-E391 IonicContact NH2-OE2 3.42Å; R375-Y396 HydrophobicContact CB-CD2 3.44Å; R375-Y396 VanDerWaalsContact CB-CD2 3.44Å; R375-Y396 HydrophobicContact CB-CE2 4.03Å; R375-Y396 HydrophobicContact CB-CG 4.15Å; R375-Y396 HydrophobicContact CG-CD2 3.96Å; R375-Y396 HydrophobicContact CG-CE2 4.39Å; R375-Y396 HydrophobicContact CG-CG 4.36Å; R375-Y396 VanDerWaalsContact NH1-CZ 3.33Å; R375-R397 PolarHBondContact N-O 3.49Å |
| 376 | K | 74.8 | Confident | 68.8 | Low | 120 Ų | 120 | 86 Ų | 86 | 52% | 0.522 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -67.4 | 179 | -71.2 | -155 | 174 | -168.9 | 0 | 112.5 | C374 K378 M398 C402 T406 | C374-K376 PolarHBondContact O-N 2.63Å; C374-K376 VanDerWaalsContact O-N 3.15Å; K376-K378 PolarHBondContact O-N 3.02Å; K376-M398 HydrophobicContact CD-CE 4.1Å; K376-M398 HydrophobicContact CG-CE 4.29Å; K376-C402 HydrophobicContact CB-CB 4.46Å; K376-T406 HydrophobicContact CD-CG2 4.17Å |
| 377 | C | 78.3 | Confident | 68.8 | Low | 43 Ų | 43 | 90 Ų | 90 | 29% | 0.291 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -1.9 | -172.6 | 67.8 | 0 | 0 | 0 | 0 | 115.1 | C374 R379 C402 | C374-C377 VanDerWaalsContact CB-SG 3.56Å; C374-C377 PolarHBondContact SG-SG 2.78Å; C377-R379 PolarHBondContact O-N 2.72Å; C377-R379 PolarHBondContact SG-NE 2.99Å; C377-C402 VanDerWaalsContact SG-SG 3.66Å |
| 378 | K | 75 | Confident | 69.1 | Low | 174 Ų | 174 | 90 Ų | 90 | 76% | 0.757 | 43% | 0.426 | S | S | * | . | trans | 56.7 | 6.6 | -179.4 | -57.9 | 179.1 | -177.1 | 174.3 | 0 | 116.1 | C374 K376 | C374-K378 VanDerWaalsContact O-CA 3.26Å; C374-K378 WeakPolarHBondContact O-CA 3.34Å; C374-K378 PolarHBondContact O-N 3.23Å; K376-K378 PolarHBondContact O-N 3.02Å | ||
| 379 | R | 75.6 | Confident | 69.5 | Low | 107 Ų | 107 | 86.7 Ų | 86.7 | 40% | 0.404 | 41% | 0.412 | S | S | . | . | trans | -64 | 147.7 | 170.6 | -70.6 | -177 | -83.5 | 165.9 | -6.9 | 110.3 | V373 C374 C377 V381 E401 | V373-R379 WeakPolarHBondContact CA-O 3.38Å; C374-R379 PolarHBondContact N-O 3.47Å; C377-R379 PolarHBondContact O-N 2.72Å; C377-R379 PolarHBondContact SG-NE 2.99Å; R379-V381 WeakPolarHBondContact O-CG2 3.39Å; R379-E401 IonicContact CZ-OE1 3.82Å; R379-E401 IonicContact CZ-OE2 3.18Å; R379-E401 IonicContact NH1-OE1 2.9Å; R379-E401 PolarHBondContact NH1-OE1 3.35Å; R379-E401 IonicContact NH1-OE2 2.78Å; R379-E401 PolarHBondContact NH1-OE2 3.43Å; R379-E401 IonicContact NH2-OE1 3.92Å; R379-E401 IonicContact NH2-OE2 2.67Å; R379-E401 PolarHBondContact NH2-OE2 3.1Å | ||
| 380 | Q | 69.8 | Low | 70.2 | Confident | 135 Ų | 135 | 86.7 Ų | 86.7 | 63% | 0.631 | 41% | 0.407 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 150.6 | 165.6 | -68.5 | -176.6 | 86.3 | 0 | 0 | 109.5 | L372 V373 | L372-Q380 CarbonylContact O-C 3.57Å; L372-Q380 WeakPolarHBondContact O-CA 3.35Å; V373-Q380 HydrophobicContact CG2-CG 4.49Å |
| 381 | V | 70.1 | Confident | 70.9 | Confident | 17 Ų | 17 | 82.6 Ų | 82.6 | 10% | 0.103 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 162.3 | -172.6 | -154.5 | 0 | 0 | 0 | 0 | 108.2 | L372 C374 R379 S385 C399 | L372-V381 WeakPolarHBondContact CB-O 3.46Å; L372-V381 PolarHBondContact O-N 3.09Å; C374-V381 HydrophobicContact CB-CG2 3.82Å; C374-V381 VanDerWaalsContact N-CG2 3.34Å; R379-V381 WeakPolarHBondContact O-CG2 3.39Å; V381-S385 VanDerWaalsContact CG1-O 3.32Å; V381-S385 WeakPolarHBondContact CG1-O 3.25Å; V381-S385 VanDerWaalsContact CG1-OG 3.31Å; V381-S385 WeakPolarHBondContact CG1-OG 3.39Å; V381-C399 HydrophobicContact CG1-CB 3.99Å; V381-C399 HydrophobicContact CG2-CB 4.23Å |
| 382 | T | 71.3 | Confident | 71.7 | Confident | 75 Ų | 75 | 79.9 Ų | 79.9 | 46% | 0.46 | 41% | 0.406 | S | S | . | . | trans | -109.7 | 173.9 | 169.8 | 63.9 | 0 | 0 | 0 | 0 | 110.1 | Q384 S385 G386 | T382-Q384 PolarHBondContact O-N 3.28Å; T382-S385 PolarHBondContact N-OG 2.95Å; T382-S385 PolarHBondContact O-N 3.13Å; T382-S385 PolarHBondContact OG1-N 3.06Å; T382-S385 PolarHBondContact OG1-OG 3.03Å; T382-G386 PolarHBondContact O-N 3.15Å | ||
| 383 | E | 63.3 | Low | 71.4 | Confident | 130 Ų | 130 | 88.2 Ų | 88.2 | 61% | 0.607 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -33.6 | 176.7 | -60.4 | -166.6 | 137 | 0 | 0 | 112.5 | L372 | L372-E383 HydrophobicContact CD1-CG 3.6Š|
| 384 | Q | 61.8 | Low | 70.4 | Confident | 187 Ų | 187 | 93.2 Ų | 93.2 | 87% | 0.874 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -37.2 | 176.8 | -63.2 | 172.1 | -8.1 | 0 | 0 | 113 | T382 | T382-Q384 PolarHBondContact O-N 3.28Š|
| 385 | S | 70.3 | Confident | 70 | Confident | 42 Ų | 42 | 100.1 Ų | 100.1 | 29% | 0.294 | 49% | 0.488 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91 | 2.9 | -174.4 | 56.2 | 0 | 0 | 0 | 0 | 114.6 | V381 T382 C399 T400 | V381-S385 VanDerWaalsContact CG1-O 3.32Å; V381-S385 WeakPolarHBondContact CG1-O 3.25Å; V381-S385 VanDerWaalsContact CG1-OG 3.31Å; V381-S385 WeakPolarHBondContact CG1-OG 3.39Å; T382-S385 PolarHBondContact N-OG 2.95Å; T382-S385 PolarHBondContact O-N 3.13Å; T382-S385 PolarHBondContact OG1-N 3.06Å; T382-S385 PolarHBondContact OG1-OG 3.03Å; S385-C399 VanDerWaalsContact O-CA 3.29Å; S385-C399 WeakPolarHBondContact O-CA 3.37Å; S385-T400 PolarHBondContact O-N 3.46Å |
| 386 | G | 71.3 | Confident | 69.6 | Low | 1 Ų | 1 | 95.6 Ų | 95.6 | 1% | 0.01 | 47% | 0.471 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 124.2 | 178 | 0 | 0 | 0 | 0 | 0 | 116.1 | T382 R397 M398 | T382-G386 PolarHBondContact O-N 3.15Å; G386-R397 VanDerWaalsContact O-CD 3.31Å; G386-R397 WeakPolarHBondContact O-CD 3.48Å; G386-R397 WeakPolarHBondContact O-CG 3.5Å; G386-R397 PolarHBondContact O-NH1 2.65Å; G386-M398 CarbonylContact C-O 3.27Å; G386-M398 VanDerWaalsContact C-O 3.29Å; G386-M398 WeakPolarHBondContact CA-O 3.43Å |
| 387 | R | 70.9 | Confident | 69.6 | Low | 127 Ų | 127 | 91.4 Ų | 91.4 | 48% | 0.479 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 157.7 | 179.1 | -53.7 | -177.1 | 177.6 | 174.8 | -2.3 | 111.5 | V389 R397 M398 I403 D410 | R387-V389 PolarHBondContact O-N 2.85Å; R387-R397 WeakPolarHBondContact O-CA 3.35Å; R387-R397 WeakPolarHBondContact O-CG 3.3Å; R387-M398 PolarHBondContact N-O 3Å; R387-M398 PolarHBondContact O-N 3.04Å; R387-I403 HydrophobicContact CB-CD1 3.73Å; R387-I403 HydrophobicContact CG-CD1 4.06Å; R387-D410 IonicContact CZ-OD1 3.72Å; R387-D410 IonicContact CZ-OD2 2.72Å; R387-D410 IonicContact NH1-OD1 2.67Å; R387-D410 PolarHBondContact NH1-OD1 3.41Å; R387-D410 IonicContact NH1-OD2 3.73Å; R387-D410 PolarHBondContact NH1-OD2 2.87Å |
| 388 | V | 73.8 | Confident | 69.6 | Low | 61 Ų | 61 | 89.4 Ų | 89.4 | 37% | 0.37 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 100.5 | 175.3 | 179.5 | 0 | 0 | 0 | 0 | 109.2 | R395 Y396 R397 | V388-R395 HydrophobicContact CG1-CB 3.97Å; V388-Y396 CarbonylContact C-O 3.56Å; V388-Y396 WeakPolarHBondContact CA-O 3.31Å; V388-R397 HydrophobicContact CG2-CB 4.49Å; V388-R397 HydrophobicContact CG2-CG 4.31Å |
| 389 | V | 74.4 | Confident | 70 | Confident | 21 Ų | 21 | 81.5 Ų | 81.5 | 13% | 0.127 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 140.8 | 177.6 | -179.4 | 0 | 0 | 0 | 0 | 109.9 | R387 R395 Y396 M398 I403 | R387-V389 PolarHBondContact O-N 2.85Å; V389-R395 WeakPolarHBondContact O-CA 3.43Å; V389-Y396 HydrophobicContact CB-CE2 4.38Å; V389-Y396 PolarHBondContact N-O 3.45Å; V389-Y396 PolarHBondContact O-N 3.44Å; V389-M398 HydrophobicContact CB-SD 4.1Å; V389-M398 HydrophobicContact CG1-SD 4.38Å; V389-M398 HydrophobicContact CG2-CB 4.15Å; V389-M398 HydrophobicContact CG2-CG 4.18Å; V389-M398 HydrophobicContact CG2-SD 3.74Å; V389-I403 HydrophobicContact CG2-CD1 4.34Å; V389-I403 HydrophobicContact CG2-CG1 4.02Å |
| 390 | C | 68 | Low | 70.1 | Confident | 67 Ų | 67 | 79.1 Ų | 79.1 | 45% | 0.453 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 110.4 | 178.1 | -60.9 | 0 | 0 | 0 | 0 | 110 | R395 | C390-R395 HydrophobicContact CB-CG 4.35Å; C390-R395 WeakPolarHBondContact SG-CD 3.49Å; C390-R395 VanDerWaalsContact SG-CG 3.53Å |
| 391 | E | 68.8 | Low | 70.6 | Confident | 102 Ų | 102 | 77 Ų | 77 | 48% | 0.477 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 85.5 | 179.3 | -174 | -176.8 | -138.7 | 0 | 0 | 107.7 | R375 L393 R394 Y396 | R375-E391 IonicContact CZ-OE2 3.18Å; R375-E391 IonicContact NH1-OE2 2.72Å; R375-E391 PolarHBondContact NH1-OE2 3.21Å; R375-E391 IonicContact NH2-OE2 3.42Å; E391-L393 PolarHBondContact O-N 2.8Å; E391-R394 PolarHBondContact N-O 2.97Å; E391-R394 PolarHBondContact O-N 3.28Å; E391-Y396 HydrophobicContact CB-CE1 3.67Å |
| 392 | G | 72.8 | Confident | 71 | Confident | 76 Ų | 76 | 76.3 Ų | 76.3 | 78% | 0.784 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.2 | -120.8 | -168.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | R394 | G392-R394 PolarHBondContact O-N 2.83Š|
| 393 | L | 60.3 | Low | 71.3 | Confident | 182 Ų | 182 | 73.4 Ų | 73.4 | 95% | 0.953 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -9.7 | 178.6 | -65.1 | 173.4 | 0 | 0 | 0 | 114.4 | E391 | E391-L393 PolarHBondContact O-N 2.8Š|
| 394 | R | 50.8 | Low | 71.9 | Confident | 167 Ų | 167 | 74.6 Ų | 74.6 | 63% | 0.63 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 117.4 | -174.3 | -60.6 | -179.4 | -175.2 | -108.4 | 3 | 110.6 | E391 G392 Y396 | E391-R394 PolarHBondContact N-O 2.97Å; E391-R394 PolarHBondContact O-N 3.28Å; G392-R394 PolarHBondContact O-N 2.83Å; R394-Y396 HydrophobicContact CB-CD1 4.5Å |
| 395 | R | 69.9 | Low | 72.5 | Confident | 145 Ų | 145 | 72.4 Ų | 72.4 | 55% | 0.547 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 133.1 | 169.7 | -52.8 | -162.5 | -176.8 | 165.5 | -1.3 | 110.5 | V388 V389 C390 | V388-R395 HydrophobicContact CG1-CB 3.97Å; V389-R395 WeakPolarHBondContact O-CA 3.43Å; C390-R395 HydrophobicContact CB-CG 4.35Å; C390-R395 WeakPolarHBondContact SG-CD 3.49Å; C390-R395 VanDerWaalsContact SG-CG 3.53Å |
| 396 | Y | 70.8 | Confident | 72.5 | Confident | 28 Ų | 28 | 72.5 Ų | 72.5 | 11% | 0.11 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.7 | 152.6 | -178.5 | 57.2 | -86.7 | 0 | 0 | 0 | 111.8 | R375 V388 V389 E391 R394 M398 | R375-Y396 HydrophobicContact CB-CD2 3.44Å; R375-Y396 VanDerWaalsContact CB-CD2 3.44Å; R375-Y396 HydrophobicContact CB-CE2 4.03Å; R375-Y396 HydrophobicContact CB-CG 4.15Å; R375-Y396 HydrophobicContact CG-CD2 3.96Å; R375-Y396 HydrophobicContact CG-CE2 4.39Å; R375-Y396 HydrophobicContact CG-CG 4.36Å; R375-Y396 VanDerWaalsContact NH1-CZ 3.33Å; V388-Y396 CarbonylContact C-O 3.56Å; V388-Y396 WeakPolarHBondContact CA-O 3.31Å; V389-Y396 HydrophobicContact CB-CE2 4.38Å; V389-Y396 PolarHBondContact N-O 3.45Å; V389-Y396 PolarHBondContact O-N 3.44Å; E391-Y396 HydrophobicContact CB-CE1 3.67Å; R394-Y396 HydrophobicContact CB-CD1 4.5Å; Y396-M398 HydrophobicContact CD2-CG 3.86Å; Y396-M398 HydrophobicContact CD2-SD 4.29Å; Y396-M398 HydrophobicContact CE2-CG 3.58Å; Y396-M398 HydrophobicContact CE2-SD 3.42Å; Y396-M398 WeakPolarHBondContact CE2-SD 3.35Å |
| 397 | R | 74.9 | Confident | 72.1 | Confident | 32 Ų | 32 | 75.3 Ų | 75.3 | 12% | 0.121 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 140.1 | 179.6 | -151 | 178.7 | -78 | -109.2 | 16 | 111.4 | R375 G386 R387 V388 | R375-R397 PolarHBondContact N-O 3.49Å; G386-R397 VanDerWaalsContact O-CD 3.31Å; G386-R397 WeakPolarHBondContact O-CD 3.48Å; G386-R397 WeakPolarHBondContact O-CG 3.5Å; G386-R397 PolarHBondContact O-NH1 2.65Å; R387-R397 WeakPolarHBondContact O-CA 3.35Å; R387-R397 WeakPolarHBondContact O-CG 3.3Å; V388-R397 HydrophobicContact CG2-CB 4.49Å; V388-R397 HydrophobicContact CG2-CG 4.31Å |
| 398 | M | 78.4 | Confident | 71.6 | Confident | 1 Ų | 1 | 71.9 Ų | 71.9 | 1% | 0.005 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 149.2 | 170.9 | -72.3 | 176.4 | 56.4 | 0 | 0 | 109.1 | K376 G386 R387 V389 Y396 C402 I403 T406 | K376-M398 HydrophobicContact CD-CE 4.1Å; K376-M398 HydrophobicContact CG-CE 4.29Å; G386-M398 CarbonylContact C-O 3.27Å; G386-M398 VanDerWaalsContact C-O 3.29Å; G386-M398 WeakPolarHBondContact CA-O 3.43Å; R387-M398 PolarHBondContact N-O 3Å; R387-M398 PolarHBondContact O-N 3.04Å; V389-M398 HydrophobicContact CB-SD 4.1Å; V389-M398 HydrophobicContact CG1-SD 4.38Å; V389-M398 HydrophobicContact CG2-CB 4.15Å; V389-M398 HydrophobicContact CG2-CG 4.18Å; V389-M398 HydrophobicContact CG2-SD 3.74Å; Y396-M398 HydrophobicContact CD2-CG 3.86Å; Y396-M398 HydrophobicContact CD2-SD 4.29Å; Y396-M398 HydrophobicContact CE2-CG 3.58Å; Y396-M398 HydrophobicContact CE2-SD 3.42Å; Y396-M398 WeakPolarHBondContact CE2-SD 3.35Å; M398-C402 HydrophobicContact CE-CB 3.86Å; M398-C402 WeakPolarHBondContact CE-O 3.35Å; M398-I403 HydrophobicContact CB-CD1 4.07Å; M398-I403 HydrophobicContact CB-CG1 3.63Å; M398-I403 HydrophobicContact CE-CG1 4.18Å; M398-T406 HydrophobicContact CE-CG2 4.03Å |
| 399 | C | 83.1 | Confident | 70.4 | Confident | 9 Ų | 9 | 77.6 Ų | 77.6 | 6% | 0.061 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 156 | 170.1 | 60 | 0 | 0 | 0 | 0 | 111.2 | C374 V381 S385 E401 C402 I403 | C374-C399 HydrophobicContact CB-CB 4.24Å; C374-C399 PolarHBondContact SG-N 2.92Å; C374-C399 VanDerWaalsContact SG-N 3.39Å; C374-C399 VanDerWaalsContact SG-SG 3.69Å; V381-C399 HydrophobicContact CG1-CB 3.99Å; V381-C399 HydrophobicContact CG2-CB 4.23Å; S385-C399 VanDerWaalsContact O-CA 3.29Å; S385-C399 WeakPolarHBondContact O-CA 3.37Å; C399-E401 VanDerWaalsContact C-N 3.33Å; C399-E401 PolarHBondContact O-N 3.28Å; C399-C402 PolarHBondContact O-N 3.31Å; C399-C402 VanDerWaalsContact O-N 3.1Å; C399-C402 VanDerWaalsContact SG-SG 3.64Å; C399-I403 WeakPolarHBondContact O-CG1 2.92Å; C399-I403 PolarHBondContact O-N 3.24Å |
| 400 | T | 78.2 | Confident | 69.3 | Low | 57 Ų | 57 | 81.7 Ų | 81.7 | 35% | 0.35 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -49.6 | -48 | 179.6 | 44 | 0 | 0 | 0 | 0 | 113.4 | S385 C402 I403 Q404 | S385-T400 PolarHBondContact O-N 3.46Å; T400-C402 PolarHBondContact O-N 3.21Å; T400-I403 WeakPolarHBondContact O-CB 3.29Å; T400-I403 PolarHBondContact O-N 3Å; T400-I403 VanDerWaalsContact O-N 3.13Å; T400-Q404 WeakPolarHBondContact O-CG 3.32Å; T400-Q404 PolarHBondContact O-N 3.48Å |
| 401 | E | 79.3 | Confident | 67.9 | Low | 91 Ų | 91 | 86.3 Ų | 86.3 | 43% | 0.425 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -53 | -53.3 | 175.7 | -64.3 | 169 | -130.2 | 0 | 0 | 111.6 | R379 C399 I403 Q404 E405 | R379-E401 IonicContact CZ-OE1 3.82Å; R379-E401 IonicContact CZ-OE2 3.18Å; R379-E401 IonicContact NH1-OE1 2.9Å; R379-E401 PolarHBondContact NH1-OE1 3.35Å; R379-E401 IonicContact NH1-OE2 2.78Å; R379-E401 PolarHBondContact NH1-OE2 3.43Å; R379-E401 IonicContact NH2-OE1 3.92Å; R379-E401 IonicContact NH2-OE2 2.67Å; R379-E401 PolarHBondContact NH2-OE2 3.1Å; C399-E401 VanDerWaalsContact C-N 3.33Å; C399-E401 PolarHBondContact O-N 3.28Å; E401-I403 VanDerWaalsContact C-N 3.25Å; E401-I403 PolarHBondContact O-N 3.39Å; E401-Q404 PolarHBondContact O-N 3.3Å; E401-E405 WeakPolarHBondContact O-CG 3.31Å; E401-E405 PolarHBondContact O-N 3.48Å |
| 402 | C | 78.2 | Confident | 66.7 | Low | 2 Ų | 2 | 86.2 Ų | 86.2 | 1% | 0.014 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -70.2 | -20.2 | -178.7 | -70.6 | 0 | 0 | 0 | 0 | 113.7 | K376 C377 M398 C399 T400 E405 T406 | K376-C402 HydrophobicContact CB-CB 4.46Å; C377-C402 VanDerWaalsContact SG-SG 3.66Å; M398-C402 HydrophobicContact CE-CB 3.86Å; M398-C402 WeakPolarHBondContact CE-O 3.35Å; C399-C402 PolarHBondContact O-N 3.31Å; C399-C402 VanDerWaalsContact O-N 3.1Å; C399-C402 VanDerWaalsContact SG-SG 3.64Å; T400-C402 PolarHBondContact O-N 3.21Å; C402-E405 WeakPolarHBondContact CA-OE2 3.38Å; C402-E405 PolarHBondContact SG-OE2 2.93Å; C402-T406 WeakPolarHBondContact O-CG2 3.26Å; C402-T406 PolarHBondContact O-N 2.91Å; C402-T406 PolarHBondContact O-OG1 3Å |
| 403 | I | 78.2 | Confident | 65.7 | Low | 14 Ų | 14 | 90.2 Ų | 90.2 | 7% | 0.072 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -72.5 | -47.2 | 172.8 | -67.9 | 161.7 | 0 | 0 | 0 | 109.2 | R387 V389 M398 C399 T400 E401 T406 G407 C408 | R387-I403 HydrophobicContact CB-CD1 3.73Å; R387-I403 HydrophobicContact CG-CD1 4.06Å; V389-I403 HydrophobicContact CG2-CD1 4.34Å; V389-I403 HydrophobicContact CG2-CG1 4.02Å; M398-I403 HydrophobicContact CB-CD1 4.07Å; M398-I403 HydrophobicContact CB-CG1 3.63Å; M398-I403 HydrophobicContact CE-CG1 4.18Å; C399-I403 WeakPolarHBondContact O-CG1 2.92Å; C399-I403 PolarHBondContact O-N 3.24Å; T400-I403 WeakPolarHBondContact O-CB 3.29Å; T400-I403 PolarHBondContact O-N 3Å; T400-I403 VanDerWaalsContact O-N 3.13Å; E401-I403 VanDerWaalsContact C-N 3.25Å; E401-I403 PolarHBondContact O-N 3.39Å; I403-T406 WeakPolarHBondContact CA-OG1 3.45Å; I403-T406 CarbonylContact O-C 3.29Å; I403-T406 WeakPolarHBondContact O-CA 3.31Å; I403-T406 PolarHBondContact O-N 2.79Å; I403-T406 PolarHBondContact O-OG1 3.48Å; I403-G407 PolarHBondContact O-N 2.83Å; I403-G407 VanDerWaalsContact O-N 3.12Å; I403-C408 HydrophobicContact CG2-CB 4.42Å; I403-C408 WeakPolarHBondContact CG2-O 3.4Å |
| 404 | Q | 76.1 | Confident | 64.5 | Low | 154 Ų | 154 | 88.4 Ų | 88.4 | 72% | 0.72 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -60.3 | -43.9 | 175.5 | -68.8 | 168.6 | -16.8 | 0 | 0 | 111.5 | T400 E401 T406 G407 | T400-Q404 WeakPolarHBondContact O-CG 3.32Å; T400-Q404 PolarHBondContact O-N 3.48Å; E401-Q404 PolarHBondContact O-N 3.3Å; Q404-T406 PolarHBondContact O-N 3.36Å; Q404-T406 VanDerWaalsContact O-N 3.09Å; Q404-G407 PolarHBondContact O-N 3.05Å |
| 405 | E | 74.3 | Confident | 63.8 | Low | 141 Ų | 141 | 83.8 Ų | 83.8 | 66% | 0.659 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -24.5 | 171.6 | -72.8 | 172.4 | 167.3 | 0 | 0 | 113.8 | E401 C402 | E401-E405 WeakPolarHBondContact O-CG 3.31Å; E401-E405 PolarHBondContact O-N 3.48Å; C402-E405 WeakPolarHBondContact CA-OE2 3.38Å; C402-E405 PolarHBondContact SG-OE2 2.93Å |
| 406 | T | 69.6 | Low | 62.2 | Low | 44 Ų | 44 | 85.4 Ų | 85.4 | 27% | 0.27 | 48% | 0.475 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103 | -7 | -177.9 | 49.5 | 0 | 0 | 0 | 0 | 115.4 | K376 M398 C402 I403 Q404 C408 | K376-T406 HydrophobicContact CD-CG2 4.17Å; M398-T406 HydrophobicContact CE-CG2 4.03Å; C402-T406 WeakPolarHBondContact O-CG2 3.26Å; C402-T406 PolarHBondContact O-N 2.91Å; C402-T406 PolarHBondContact O-OG1 3Å; I403-T406 WeakPolarHBondContact CA-OG1 3.45Å; I403-T406 CarbonylContact O-C 3.29Å; I403-T406 WeakPolarHBondContact O-CA 3.31Å; I403-T406 PolarHBondContact O-N 2.79Å; I403-T406 PolarHBondContact O-OG1 3.48Å; Q404-T406 PolarHBondContact O-N 3.36Å; Q404-T406 VanDerWaalsContact O-N 3.09Å; T406-C408 PolarHBondContact O-N 3.37Å |
| 407 | G | 64.1 | Low | 60.4 | Low | 60 Ų | 60 | 93.8 Ų | 93.8 | 62% | 0.619 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.8 | 22.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | I403 Q404 E409 | I403-G407 PolarHBondContact O-N 2.83Å; I403-G407 VanDerWaalsContact O-N 3.12Å; Q404-G407 PolarHBondContact O-N 3.05Å; G407-E409 VanDerWaalsContact C-N 3.26Å; G407-E409 PolarHBondContact O-N 3.14Å |
| 408 | C | 59.3 | Low | 58.2 | Low | 56 Ų | 56 | 95.9 Ų | 95.9 | 38% | 0.378 | 55% | 0.547 | S | S | . | . | trans | -83.9 | 68.5 | 177.7 | -62.9 | 0 | 0 | 0 | 0 | 110.7 | I403 T406 | I403-C408 HydrophobicContact CG2-CB 4.42Å; I403-C408 WeakPolarHBondContact CG2-O 3.4Å; T406-C408 PolarHBondContact O-N 3.37Å | ||
| 409 | E | 49.9 | Very low | 55.8 | Low | 180 Ų | 180 | 101 Ų | 101 | 84% | 0.841 | 59% | 0.59 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 160 | 169 | -59.8 | -156 | 144.8 | 0 | 0 | 111.3 | G407 | G407-E409 VanDerWaalsContact C-N 3.26Å; G407-E409 PolarHBondContact O-N 3.14Å |
| 410 | D | 50.5 | Low | 53.1 | Low | 108 Ų | 108 | 106.2 Ų | 106.2 | 58% | 0.578 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 133.4 | -156.2 | -51.6 | -77.3 | 0 | 0 | 0 | 113.9 | R387 | R387-D410 IonicContact CZ-OD1 3.72Å; R387-D410 IonicContact CZ-OD2 2.72Å; R387-D410 IonicContact NH1-OD1 2.67Å; R387-D410 PolarHBondContact NH1-OD1 3.41Å; R387-D410 IonicContact NH1-OD2 3.73Å; R387-D410 PolarHBondContact NH1-OD2 2.87Å |
| 411 | L | 39 | Very low | 50.9 | Low | 163 Ų | 163 | 112.3 Ų | 112.3 | 85% | 0.853 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -94.5 | 128.5 | 155.5 | -73.1 | 175.5 | 0 | 0 | 0 | 108.5 | ||
| 412 | P | 42.5 | Very low | 48.5 | Very low | 101 Ų | 101 | 116.5 Ų | 116.5 | 66% | 0.656 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 147 | -180 | -25.2 | 34.5 | 0 | 0 | 0 | 113.5 | D414 | P412-D414 WeakPolarHBondContact CB-OD2 3.22Š|
| 413 | I | 53.2 | Low | 46.7 | Very low | 159 Ų | 159 | 121.1 Ų | 121.1 | 82% | 0.815 | 70% | 0.7 | S | S | * | * | trans | -98.1 | 73.8 | 162.8 | -54 | 179.4 | 0 | 0 | 0 | 107 | ||||
| 414 | D | 35.4 | Very low | 44.2 | Very low | 144 Ų | 144 | 124.6 Ų | 124.6 | 77% | 0.77 | 73% | 0.731 | S | S | * | * | trans | -92.9 | 147.1 | 171.5 | -82.4 | -49.7 | 0 | 0 | 0 | 111.2 | P412 | P412-D414 WeakPolarHBondContact CB-OD2 3.22Š| ||
| 415 | G | 35.1 | Very low | 42 | Very low | 70 Ų | 70 | 125.1 Ų | 125.1 | 72% | 0.722 | 74% | 0.738 | S | S | * | * | trans | 93.2 | 69 | 164.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 416 | L | 36.9 | Very low | 40.1 | Very low | 180 Ų | 180 | 126.3 Ų | 126.3 | 94% | 0.942 | 75% | 0.748 | S | S | * | * | trans | -174.5 | 69.8 | 131.5 | -100.8 | 162.7 | 0 | 0 | 0 | 112 | ||||
| 417 | E | 32 | Very low | 38.2 | Very low | 203 Ų | 203 | 132.3 Ų | 132.3 | 95% | 0.949 | 78% | 0.777 | S | S | * | * | trans | -117.3 | 140.7 | 157.1 | -69.4 | -170 | 146.2 | 0 | 0 | 108.3 | ||||
| 418 | G | 29.4 | Very low | 36.5 | Very low | 76 Ų | 76 | 132.6 Ų | 132.6 | 78% | 0.784 | 78% | 0.78 | S | S | * | * | trans | 154.2 | 88.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 419 | A | 27.5 | Very low | 35.1 | Very low | 110 Ų | 110 | 136.8 Ų | 136.8 | 91% | 0.909 | 80% | 0.804 | S | S | * | * | trans | 64 | 149.7 | 172 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 420 | S | 27.5 | Very low | 34.1 | Very low | 118 Ų | 118 | 135.7 Ų | 135.7 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | cis | -126.3 | 155.8 | 5.2 | 56.7 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 421 | E | 32.1 | Very low | 33.3 | Very low | 185 Ų | 185 | 134.1 Ų | 134.1 | 86% | 0.864 | 81% | 0.814 | S | S | * | * | trans | -87 | 152 | -177 | -57.7 | 162.5 | 119.5 | 0 | 0 | 113.2 | ||||
| 422 | E | 28 | Very low | 32.9 | Very low | 178 Ų | 178 | 135.8 Ų | 135.8 | 83% | 0.832 | 82% | 0.817 | S | S | * | * | trans | 164.7 | 156.2 | 142.1 | -90.5 | -74.3 | 83.9 | 0 | 0 | 108.9 | ||||
| 423 | P | 40.4 | Very low | 32.9 | Very low | 100 Ų | 100 | 140.4 Ų | 140.4 | 65% | 0.649 | 83% | 0.83 | S | S | * | * | -131 | -173.4 | -126.9 | 42 | -25.9 | 0 | 0 | 0 | 115.7 | |||||
| 424 | A | 26.5 | Very low | 31.8 | Very low | 87 Ų | 87 | 142.5 Ų | 142.5 | 72% | 0.719 | 84% | 0.836 | S | S | * | * | trans | 73.1 | 152.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 425 | L | 29.7 | Very low | 32 | Very low | 164 Ų | 164 | 143.8 Ų | 143.8 | 86% | 0.859 | 84% | 0.843 | S | S | * | * | cis | -116.1 | 132.3 | 15.6 | -70.8 | 157.7 | 0 | 0 | 0 | 113.7 | ||||
| 426 | L | 33.4 | Very low | 31.7 | Very low | 167 Ų | 167 | 143.1 Ų | 143.1 | 87% | 0.874 | 84% | 0.836 | S | S | * | * | trans | -76.2 | 136.5 | 150.2 | -74.6 | 164.9 | 0 | 0 | 0 | 108.4 | ||||
| 427 | L | 29.7 | Very low | 31.9 | Very low | 169 Ų | 169 | 143.1 Ų | 143.1 | 89% | 0.885 | 84% | 0.837 | S | S | * | * | trans | -116.1 | 124 | 152.7 | -86.3 | 169.6 | 0 | 0 | 0 | 107.1 | ||||
| 428 | G | 29.3 | Very low | 31.8 | Very low | 66 Ų | 66 | 139.1 Ų | 139.1 | 68% | 0.68 | 83% | 0.827 | S | S | * | * | trans | -71.5 | 158.5 | -169.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 429 | V | 28.7 | Very low | 31.9 | Very low | 144 Ų | 144 | 144.1 Ų | 144.1 | 87% | 0.873 | 83% | 0.83 | S | S | * | * | trans | -122.1 | 100.6 | 152.1 | 177 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 430 | D | 28.7 | Very low | 31.9 | Very low | 157 Ų | 157 | 149.5 Ų | 149.5 | 84% | 0.84 | 83% | 0.826 | S | S | * | * | trans | -64.5 | 136.3 | 166.3 | -53.6 | -47.7 | 0 | 0 | 0 | 107.5 | ||||
| 431 | G | 34.6 | Very low | 31.9 | Very low | 76 Ų | 76 | 148.4 Ų | 148.4 | 78% | 0.784 | 82% | 0.818 | S | S | * | * | trans | -84.9 | 119.7 | -169.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 432 | E | 29.7 | Very low | 31.8 | Very low | 197 Ų | 197 | 149.2 Ų | 149.2 | 92% | 0.921 | 81% | 0.814 | S | S | * | * | trans | -130.4 | 140.3 | 156.4 | -84.5 | 179.2 | 169.2 | 0 | 0 | 109.2 | ||||
| 433 | E | 42.9 | Very low | 31.9 | Very low | 199 Ų | 199 | 148.8 Ų | 148.8 | 93% | 0.93 | 82% | 0.816 | S | S | * | * | trans | -96.9 | 122.3 | -177.9 | -59.7 | 179.4 | 140.2 | 0 | 0 | 109.9 | ||||
| 434 | E | 30.8 | Very low | 31.6 | Very low | 202 Ų | 202 | 148 Ų | 148 | 94% | 0.944 | 81% | 0.81 | S | S | * | * | trans | -153.5 | 148 | 160.2 | -134.9 | 175.6 | -161.6 | 0 | 0 | 112.3 | ||||
| 435 | D | 39.1 | Very low | 31.8 | Very low | 172 Ų | 172 | 148.9 Ų | 148.9 | 92% | 0.92 | 81% | 0.806 | S | S | * | * | trans | -71.4 | 133.9 | -176.8 | -81.7 | -58.8 | 0 | 0 | 0 | 112.6 | ||||
| 436 | G | 29.3 | Very low | 31.9 | Very low | 56 Ų | 56 | 148.7 Ų | 148.7 | 58% | 0.577 | 81% | 0.806 | S | S | * | * | trans | -177.8 | 103.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | T438 | G436-T438 PolarHBondContact O-N 2.67Å; G436-T438 PolarHBondContact O-OG1 2.9Å; G436-T438 VanDerWaalsContact O-OG1 3.11Å | ||
| 437 | D | 41 | Very low | 32.2 | Very low | 180 Ų | 180 | 147.1 Ų | 147.1 | 96% | 0.963 | 80% | 0.798 | S | S | * | * | trans | -62.1 | 87.4 | 177.6 | -138.3 | -20.1 | 0 | 0 | 0 | 111.6 | ||||
| 438 | T | 28.9 | Very low | 32.7 | Very low | 119 Ų | 119 | 147 Ų | 147 | 73% | 0.73 | 80% | 0.799 | S | S | * | * | trans | -113.6 | 99.8 | -172.2 | -55.3 | 0 | 0 | 0 | 0 | 111.5 | G436 R440 | G436-T438 PolarHBondContact O-N 2.67Å; G436-T438 PolarHBondContact O-OG1 2.9Å; G436-T438 VanDerWaalsContact O-OG1 3.11Å; T438-R440 PolarHBondContact O-N 2.78Å | ||
| 439 | Q | 31.7 | Very low | 33.5 | Very low | 181 Ų | 181 | 150 Ų | 150 | 85% | 0.846 | 80% | 0.799 | S | S | * | * | trans | -63.1 | 88.9 | 175.3 | -175.6 | 177.2 | -6.4 | 0 | 0 | 111.1 | S441 | Q439-S441 VanDerWaalsContact C-N 3.33Å; Q439-S441 PolarHBondContact O-N 2.73Å | ||
| 440 | R | 28.6 | Very low | 34.2 | Very low | 223 Ų | 223 | 151 Ų | 151 | 84% | 0.842 | 80% | 0.799 | S | S | * | * | trans | -67.6 | 85.9 | -175.8 | -156.1 | 161.8 | -173.9 | 154.6 | -1.4 | 111.5 | T438 W442 | T438-R440 PolarHBondContact O-N 2.78Å; R440-W442 PolarHBondContact O-N 3.23Å | ||
| 441 | S | 27.6 | Very low | 34.7 | Very low | 94 Ų | 94 | 148.4 Ų | 148.4 | 66% | 0.657 | 80% | 0.799 | S | S | * | * | trans | -70.7 | 116.7 | -176.8 | -170.8 | 0 | 0 | 0 | 0 | 111.2 | Q439 L443 | Q439-S441 VanDerWaalsContact C-N 3.33Å; Q439-S441 PolarHBondContact O-N 2.73Å; S441-L443 PolarHBondContact O-N 2.85Å; S441-L443 VanDerWaalsContact O-N 3.14Å | ||
| 442 | W | 28.9 | Very low | 35 | Very low | 202 Ų | 202 | 153.5 Ų | 153.5 | 77% | 0.765 | 80% | 0.802 | S | S | * | * | trans | -76.6 | 95.7 | 167.5 | -70.2 | 97.3 | 0 | 0 | 0 | 109 | R440 V444 | R440-W442 PolarHBondContact O-N 3.23Å; W442-V444 VanDerWaalsContact C-N 3.26Å; W442-V444 PolarHBondContact O-N 2.86Å | ||
| 443 | L | 30.7 | Very low | 35.1 | Very low | 170 Ų | 170 | 151.7 Ų | 151.7 | 89% | 0.89 | 80% | 0.799 | S | S | * | * | trans | -64.9 | 88.1 | 167.3 | -85.8 | 164.7 | 0 | 0 | 0 | 109.5 | S441 | S441-L443 PolarHBondContact O-N 2.85Å; S441-L443 VanDerWaalsContact O-N 3.14Å | ||
| 444 | V | 33.4 | Very low | 34.8 | Very low | 84 Ų | 84 | 147.6 Ų | 147.6 | 51% | 0.509 | 79% | 0.792 | S | S | . | * | trans | -92.7 | 127.9 | 160.6 | -178.2 | 0 | 0 | 0 | 0 | 106.6 | W442 D446 | W442-V444 VanDerWaalsContact C-N 3.26Å; W442-V444 PolarHBondContact O-N 2.86Å; V444-D446 PolarHBondContact O-N 3.38Å | ||
| 445 | T | 31 | Very low | 35.2 | Very low | 104 Ų | 104 | 141.6 Ų | 141.6 | 64% | 0.638 | 78% | 0.784 | S | S | * | * | trans | -69.2 | 114.1 | 175.1 | 43.4 | 0 | 0 | 0 | 0 | 110.3 | D447 | T445-D447 VanDerWaalsContact CB-OD2 3.3Å; T445-D447 WeakPolarHBondContact CB-OD2 3.45Å; T445-D447 PolarHBondContact O-N 2.79Å | ||
| 446 | D | 32.1 | Very low | 35 | Very low | 160 Ų | 160 | 138 Ų | 138 | 86% | 0.856 | 78% | 0.778 | S | S | * | * | trans | -77.4 | 51 | 172 | -69.6 | -49 | 0 | 0 | 0 | 111 | V444 | V444-D446 PolarHBondContact O-N 3.38Š| ||
| 447 | D | 39.8 | Very low | 35.2 | Very low | 134 Ų | 134 | 142.6 Ų | 142.6 | 72% | 0.717 | 79% | 0.79 | S | S | * | * | trans | -107.7 | 66 | -175.6 | -72.4 | -69.9 | 0 | 0 | 0 | 110.9 | T445 | T445-D447 VanDerWaalsContact CB-OD2 3.3Å; T445-D447 WeakPolarHBondContact CB-OD2 3.45Å; T445-D447 PolarHBondContact O-N 2.79Å | ||
| 448 | D | 40 | Very low | 34.8 | Very low | 167 Ų | 167 | 142.4 Ų | 142.4 | 89% | 0.893 | 79% | 0.788 | S | S | * | * | trans | -153.6 | 24.4 | 177.2 | -131.6 | -14.3 | 0 | 0 | 0 | 112.6 | ||||
| 449 | D | 46 | Very low | 35 | Very low | 130 Ų | 130 | 144 Ų | 144 | 70% | 0.695 | 79% | 0.79 | S | S | * | * | trans | -133.3 | 35.8 | -172 | -123.3 | -17.9 | 0 | 0 | 0 | 112.6 | ||||
| 450 | L | 42.4 | Very low | 35.2 | Very low | 165 Ų | 165 | 142.8 Ų | 142.8 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | trans | -130.1 | 93.5 | 169.8 | -75.5 | 179.5 | 0 | 0 | 0 | 111.8 | ||||
| 451 | A | 39.6 | Very low | 35.4 | Very low | 101 Ų | 101 | 140.8 Ų | 140.8 | 84% | 0.835 | 79% | 0.788 | S | S | * | * | trans | -113.1 | 106.4 | 156.1 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 452 | E | 41.4 | Very low | 35.6 | Very low | 184 Ų | 184 | 144.9 Ų | 144.9 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | trans | -71.4 | 130.9 | 175.5 | -61.5 | -177.4 | 147 | 0 | 0 | 109.4 | ||||
| 453 | D | 32.1 | Very low | 35.9 | Very low | 158 Ų | 158 | 141 Ų | 141 | 85% | 0.845 | 80% | 0.795 | S | S | * | * | trans | -137.6 | 78.9 | 174.4 | -161.2 | -6.2 | 0 | 0 | 0 | 108.5 | G455 | D453-G455 PolarHBondContact O-N 3.43Š| ||
| 454 | S | 36.7 | Very low | 36.1 | Very low | 114 Ų | 114 | 142 Ų | 142 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | trans | -86 | 89.6 | 179.8 | 57.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 455 | G | 39.8 | Very low | 36.5 | Very low | 75 Ų | 75 | 145 Ų | 145 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | trans | -61.9 | 140 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | D453 | D453-G455 PolarHBondContact O-N 3.43Š| ||
| 456 | A | 33.9 | Very low | 36.8 | Very low | 96 Ų | 96 | 145.2 Ų | 145.2 | 79% | 0.793 | 82% | 0.815 | S | S | * | * | trans | -143.2 | 145.4 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 457 | D | 34.2 | Very low | 37.3 | Very low | 154 Ų | 154 | 144.9 Ų | 144.9 | 82% | 0.824 | 81% | 0.813 | S | S | * | * | trans | -69.2 | 145.5 | -161.1 | -57.1 | -75.1 | 0 | 0 | 0 | 115.5 | I459 | D457-I459 PolarHBondContact O-N 2.82Š| ||
| 458 | L | 32.8 | Very low | 37.6 | Very low | 175 Ų | 175 | 147.1 Ų | 147.1 | 92% | 0.916 | 82% | 0.819 | S | S | * | * | trans | -79.5 | 100 | 159.1 | -71.9 | 172.1 | 0 | 0 | 0 | 108.9 | ||||
| 459 | I | 32.5 | Very low | 37.7 | Very low | 152 Ų | 152 | 146.6 Ų | 146.6 | 78% | 0.779 | 81% | 0.811 | S | S | * | * | trans | -80.4 | 117.4 | 164.3 | -64.2 | 179.7 | 0 | 0 | 0 | 108 | D457 | D457-I459 PolarHBondContact O-N 2.82Š| ||
| 460 | I | 36 | Very low | 37.6 | Very low | 157 Ų | 157 | 146.8 Ų | 146.8 | 81% | 0.805 | 81% | 0.811 | S | S | * | * | trans | -70.4 | 128.5 | 166.8 | -60 | 168.4 | 0 | 0 | 0 | 107.2 | ||||
| 461 | Q | 32.4 | Very low | 37.5 | Very low | 180 Ų | 180 | 150.5 Ų | 150.5 | 84% | 0.841 | 82% | 0.824 | S | S | * | * | trans | -118.3 | 143.7 | 163.7 | -168.6 | 161.8 | -6.6 | 0 | 0 | 108.9 | ||||
| 462 | E | 32.6 | Very low | 37.4 | Very low | 181 Ų | 181 | 153 Ų | 153 | 85% | 0.846 | 82% | 0.824 | S | S | * | * | trans | -78.5 | 162.2 | -163.4 | -65.4 | 167.1 | 126.3 | 0 | 0 | 112.7 | ||||
| 463 | V | 35.1 | Very low | 37.2 | Very low | 120 Ų | 120 | 151.3 Ų | 151.3 | 73% | 0.727 | 82% | 0.822 | S | S | * | * | trans | -86 | 117.1 | 178.4 | -172.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 464 | E | 34 | Very low | 37.5 | Very low | 190 Ų | 190 | 150.9 Ų | 150.9 | 89% | 0.888 | 82% | 0.821 | S | S | * | * | trans | -109 | 99.2 | 159.5 | -71 | -169.3 | 135.7 | 0 | 0 | 108.1 | S466 | E464-S466 PolarHBondContact O-N 3.11Š| ||
| 465 | D | 41.2 | Very low | 37.5 | Very low | 147 Ų | 147 | 153.1 Ų | 153.1 | 79% | 0.786 | 82% | 0.822 | S | S | * | * | trans | -71.4 | 121.2 | 168.3 | -71.7 | -47.8 | 0 | 0 | 0 | 108.9 | ||||
| 466 | S | 38.5 | Very low | 37.4 | Very low | 110 Ų | 110 | 158 Ų | 158 | 77% | 0.769 | 83% | 0.825 | S | S | * | * | trans | -153.9 | 140.5 | 166.6 | -75.7 | 0 | 0 | 0 | 0 | 110.7 | E464 | E464-S466 PolarHBondContact O-N 3.11Š| ||
| 467 | D | 42.5 | Very low | 37.6 | Very low | 153 Ų | 153 | 162.1 Ų | 162.1 | 82% | 0.818 | 83% | 0.827 | S | S | * | * | trans | -49.6 | 152.3 | -178.8 | -47 | -71.5 | 0 | 0 | 0 | 112.7 | ||||
| 468 | E | 45 | Very low | 37.9 | Very low | 181 Ų | 181 | 162.7 Ų | 162.7 | 85% | 0.846 | 83% | 0.827 | S | S | * | * | -166.7 | 149.4 | 75.6 | -87.4 | -177.3 | 146.6 | 0 | 0 | 114.3 | |||||
| 469 | E | 43.5 | Very low | 38.3 | Very low | 156 Ų | 156 | 161.8 Ų | 161.8 | 73% | 0.729 | 82% | 0.821 | S | S | * | * | trans | 33.8 | 129.7 | 140.3 | -67.4 | -144.8 | 122.3 | 0 | 0 | 124.4 | ||||
| 470 | L | 43.8 | Very low | 38.7 | Very low | 133 Ų | 133 | 162.6 Ų | 162.6 | 70% | 0.696 | 82% | 0.824 | S | S | * | * | trans | 70.4 | 145.4 | 141.2 | -59.1 | 165.4 | 0 | 0 | 0 | 117.6 | ||||
| 471 | Q | 40.3 | Very low | 39 | Very low | 243 Ų | 243 | 163.1 Ų | 163.1 | 100% | 1.136 | 83% | 0.826 | S | S | * | * | cis | -150.8 | 0 | 20.1 | -153.4 | 159.1 | 53.5 | 0 | 0 | 112.6 |
Retrieved 471 of 471 residues in 2196.4 ms
(Link to these results)