| 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 | L | 50.5 | Low | 54.8 | Low | 231 Ų | 231 | 163.6 Ų | 163.6 | 100% | 1.209 | 85% | 0.847 | S | S | * | * | 0 | 75.4 | 0 | -65.1 | 168.5 | 0 | 0 | 0 | 110.3 | |||||
| 2 | K | 59.6 | Low | 54.8 | Low | 217 Ų | 217 | 164.3 Ų | 164.3 | 94% | 0.943 | 84% | 0.843 | S | S | * | * | trans | -126.1 | 84.3 | 174 | -78.8 | -174.2 | 177.6 | -179.4 | 0 | 108.2 | ||||
| 3 | A | 56.6 | Low | 54.8 | Low | 92 Ų | 92 | 162.5 Ų | 162.5 | 76% | 0.76 | 83% | 0.829 | S | S | * | * | trans | -156.9 | 43.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 4 | L | 57 | Low | 55.2 | Low | 175 Ų | 175 | 162.3 Ų | 162.3 | 92% | 0.916 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -129.1 | 19.6 | 179.1 | -66.5 | 178.4 | 0 | 0 | 0 | 114.7 | ||
| 5 | N | 58.3 | Low | 55.9 | Low | 158 Ų | 158 | 166.7 Ų | 166.7 | 85% | 0.845 | 82% | 0.816 | S | S | * | * | S | Bend | trans | -123.7 | 7.9 | -171.9 | -111.6 | -43.9 | 0 | 0 | 0 | 116.4 | ||
| 6 | Q | 57.3 | Low | 56.7 | Low | 199 Ų | 199 | 162.3 Ų | 162.3 | 93% | 0.93 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -121.9 | 10.3 | -173 | -64.1 | -173.8 | 46 | 0 | 0 | 115 | ||
| 7 | G | 50.5 | Low | 57.5 | Low | 65 Ų | 65 | 159.1 Ų | 159.1 | 67% | 0.67 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -108.2 | -21.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 8 | S | 53.7 | Low | 58.7 | Low | 99 Ų | 99 | 155.3 Ų | 155.3 | 69% | 0.692 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -86.1 | -34.6 | -167.6 | -176.9 | 0 | 0 | 0 | 0 | 113.7 | R10 R11 | S8-R10 PolarHBondContact O-N 3.02Å; S8-R11 PolarHBondContact O-N 3.39Å |
| 9 | L | 50.3 | Low | 59.8 | Low | 151 Ų | 151 | 151.5 Ų | 151.5 | 79% | 0.791 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.4 | -12.7 | -170.9 | -114.1 | 146 | 0 | 0 | 0 | 115.2 | ||
| 10 | R | 54.2 | Low | 61 | Low | 211 Ų | 211 | 148.3 Ų | 148.3 | 80% | 0.796 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.1 | -3.7 | -177.8 | -68.4 | -168.5 | 163 | -164.4 | -4.8 | 114.4 | S8 R14 | S8-R10 PolarHBondContact O-N 3.02Å; R10-R14 PolarHBondContact O-NH1 3.21Å |
| 11 | R | 55.4 | Low | 62 | Low | 202 Ų | 202 | 144.5 Ų | 144.5 | 76% | 0.762 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.7 | -35.9 | -179.9 | -155 | 175.7 | -177.1 | 126.8 | -0 | 112.2 | S8 | S8-R11 PolarHBondContact O-N 3.39Š|
| 12 | E | 54 | Low | 63.6 | Low | 172 Ų | 172 | 137.8 Ų | 137.8 | 80% | 0.804 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | -32.5 | -173.4 | -157.4 | 62.8 | -152.8 | 0 | 0 | 113.9 | ||
| 13 | E | 55.4 | Low | 64.7 | Low | 140 Ų | 140 | 131.2 Ų | 131.2 | 65% | 0.654 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.2 | 24.9 | -177.7 | -152.8 | 179.7 | -163.7 | 0 | 0 | 112.9 | R15 | E13-R15 PolarHBondContact O-N 3.3Å; E13-R15 VanDerWaalsContact O-N 3.11Å |
| 14 | R | 59.8 | Low | 66 | Low | 160 Ų | 160 | 134.3 Ų | 134.3 | 60% | 0.604 | 65% | 0.653 | S | S | * | * | trans | -77.8 | 99.2 | 163.5 | -77.8 | -168.9 | 165.4 | 100.6 | -7.6 | 106.4 | R10 H16 | R10-R14 PolarHBondContact O-NH1 3.21Å; R14-H16 PolarHBondContact O-CD2 3.36Å; R14-H16 PolarHBondContact O-N 3.45Å; R14-H16 PolarHBondContact O-NE2 3.47Å | ||
| 15 | R | 65.9 | Low | 67.3 | Low | 229 Ų | 229 | 132.2 Ų | 132.2 | 86% | 0.864 | 64% | 0.639 | S | S | * | * | trans | -50.1 | 112.4 | 158.9 | -63.1 | -173.5 | 179.2 | -164.1 | -0.6 | 105.3 | E13 P17 | E13-R15 PolarHBondContact O-N 3.3Å; E13-R15 VanDerWaalsContact O-N 3.11Å; R15-P17 WeakPolarHBondContact O-CD 3.33Å | ||
| 16 | H | 68.9 | Low | 68.5 | Low | 96 Ų | 96 | 129.6 Ų | 129.6 | 44% | 0.444 | 62% | 0.624 | S | S | . | * | trans | -88.1 | 88.7 | -176.6 | -73.3 | -77 | 0 | 0 | 0 | 107.1 | R14 D18 L19 | R14-H16 PolarHBondContact O-CD2 3.36Å; R14-H16 PolarHBondContact O-N 3.45Å; R14-H16 PolarHBondContact O-NE2 3.47Å; H16-D18 VanDerWaalsContact CA-OD1 3.24Å; H16-D18 WeakPolarHBondContact CA-OD1 3.38Å; H16-D18 VanDerWaalsContact CB-OD1 3.25Å; H16-D18 WeakPolarHBondContact CB-OD1 3.34Å; H16-D18 IonicContact ND1-OD1 3.94Å; H16-D18 PolarHBondContact O-N 2.77Å; H16-D18 VanDerWaalsContact O-N 3.13Å; H16-L19 HydrophobicContact CB-CB 4.18Å; H16-L19 HydrophobicContact CB-CD1 3.54Å; H16-L19 HydrophobicContact CB-CG 3.64Å; H16-L19 PolarHBondContact O-N 3.09Å | ||
| 17 | P | 70.2 | Confident | 69.7 | Low | 107 Ų | 107 | 124 Ų | 124 | 70% | 0.695 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.7 | -21.5 | -176.2 | 29.8 | -38.9 | 0 | 0 | 0 | 112.2 | R15 L19 P21 | R15-P17 WeakPolarHBondContact O-CD 3.33Å; P17-L19 VanDerWaalsContact C-N 3.34Å; P17-P21 VanDerWaalsContact O-CD 3.23Å; P17-P21 WeakPolarHBondContact O-CD 3.39Å |
| 18 | D | 78.9 | Confident | 71.2 | Confident | 92 Ų | 92 | 125.7 Ų | 125.7 | 49% | 0.492 | 60% | 0.598 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.9 | -24.5 | 174.8 | 55.8 | -42 | 0 | 0 | 0 | 113.6 | H16 P21 I22 | H16-D18 VanDerWaalsContact CA-OD1 3.24Å; H16-D18 WeakPolarHBondContact CA-OD1 3.38Å; H16-D18 VanDerWaalsContact CB-OD1 3.25Å; H16-D18 WeakPolarHBondContact CB-OD1 3.34Å; H16-D18 IonicContact ND1-OD1 3.94Å; H16-D18 PolarHBondContact O-N 2.77Å; H16-D18 VanDerWaalsContact O-N 3.13Å; D18-P21 WeakPolarHBondContact O-CD 3.14Å; D18-P21 WeakPolarHBondContact O-CG 3.45Å; D18-I22 WeakPolarHBondContact O-CD1 3.46Å; D18-I22 WeakPolarHBondContact O-CG1 3.35Å |
| 19 | L | 80 | Confident | 72.5 | Confident | 82 Ų | 82 | 125.9 Ų | 125.9 | 43% | 0.429 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -76.6 | -27.6 | 176.8 | -69.1 | 179.4 | 0 | 0 | 0 | 112.9 | H16 P17 I22 L23 | H16-L19 HydrophobicContact CB-CB 4.18Å; H16-L19 HydrophobicContact CB-CD1 3.54Å; H16-L19 HydrophobicContact CB-CG 3.64Å; H16-L19 PolarHBondContact O-N 3.09Å; P17-L19 VanDerWaalsContact C-N 3.34Å; L19-I22 PolarHBondContact O-N 3.15Å; L19-L23 WeakPolarHBondContact O-CB 3.07Å; L19-L23 VanDerWaalsContact O-CG 3.24Å; L19-L23 WeakPolarHBondContact O-CG 3.38Å; L19-L23 PolarHBondContact O-N 3.48Å |
| 20 | E | 82.8 | Confident | 74.1 | Confident | 87 Ų | 87 | 119.8 Ų | 119.8 | 41% | 0.407 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -58.4 | -52.9 | -178.2 | -153.2 | -72.9 | 159.4 | 0 | 0 | 113.2 | I22 L23 R24 | E20-I22 VanDerWaalsContact C-N 3.31Å; E20-I22 PolarHBondContact O-N 2.63Å; E20-L23 PolarHBondContact O-N 2.7Å; E20-R24 PolarHBondContact O-N 2.92Å; E20-R24 IonicContact OE1-CZ 3.06Å; E20-R24 IonicContact OE1-NE 2.63Å; E20-R24 PolarHBondContact OE1-NE 2.95Å; E20-R24 IonicContact OE1-NH2 2.77Å; E20-R24 PolarHBondContact OE1-NH2 3.2Å; E20-R24 WeakPolarHBondContact OE2-CD 3.3Å; E20-R24 IonicContact OE2-CZ 3.31Å; E20-R24 VanDerWaalsContact OE2-CZ 3.31Å; E20-R24 IonicContact OE2-NE 3.09Å; E20-R24 PolarHBondContact OE2-NE 3.03Å; E20-R24 VanDerWaalsContact OE2-NE 3.09Å; E20-R24 IonicContact OE2-NH2 3.45Å; E20-R24 PolarHBondContact OE2-NH2 2.97Å |
| 21 | P | 83.8 | Confident | 75.4 | Confident | 70 Ų | 70 | 114.2 Ų | 114.2 | 46% | 0.455 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -65.1 | -34.8 | 178.5 | 24.3 | -34.1 | 0 | 0 | 0 | 112.5 | P17 D18 R24 Q25 | P17-P21 VanDerWaalsContact O-CD 3.23Å; P17-P21 WeakPolarHBondContact O-CD 3.39Å; D18-P21 WeakPolarHBondContact O-CD 3.14Å; D18-P21 WeakPolarHBondContact O-CG 3.45Å; P21-R24 PolarHBondContact O-N 3.24Å; P21-Q25 WeakPolarHBondContact O-CB 3.43Å; P21-Q25 PolarHBondContact O-N 2.69Å |
| 22 | I | 82.6 | Confident | 76.5 | Confident | 90 Ų | 90 | 111.5 Ų | 111.5 | 46% | 0.462 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -66.1 | -46.5 | 178.1 | -62.7 | 171.7 | 0 | 0 | 0 | 110.2 | D18 L19 E20 Q25 L26 | D18-I22 WeakPolarHBondContact O-CD1 3.46Å; D18-I22 WeakPolarHBondContact O-CG1 3.35Å; L19-I22 PolarHBondContact O-N 3.15Å; E20-I22 VanDerWaalsContact C-N 3.31Å; E20-I22 PolarHBondContact O-N 2.63Å; I22-Q25 PolarHBondContact O-N 3.12Å; I22-L26 HydrophobicContact CG2-CD1 4.17Å; I22-L26 WeakPolarHBondContact O-CG 3.4Å; I22-L26 PolarHBondContact O-N 3.16Å |
| 23 | L | 82.8 | Confident | 77.6 | Confident | 78 Ų | 78 | 107.2 Ų | 107.2 | 41% | 0.408 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -61.9 | -48.7 | 175.7 | -71.1 | 173 | 0 | 0 | 0 | 110.5 | L19 E20 Q25 L26 F27 | L19-L23 WeakPolarHBondContact O-CB 3.07Å; L19-L23 VanDerWaalsContact O-CG 3.24Å; L19-L23 WeakPolarHBondContact O-CG 3.38Å; L19-L23 PolarHBondContact O-N 3.48Å; E20-L23 PolarHBondContact O-N 2.7Å; L23-Q25 VanDerWaalsContact C-N 3.27Å; L23-Q25 PolarHBondContact O-N 3.17Å; L23-L26 WeakPolarHBondContact O-CB 3.03Å; L23-L26 PolarHBondContact O-N 3.04Å; L23-L26 VanDerWaalsContact O-N 3.17Å; L23-F27 WeakPolarHBondContact O-CD2 3.26Å; L23-F27 PolarHBondContact O-N 3.47Å |
| 24 | R | 84.4 | Confident | 78.8 | Confident | 158 Ų | 158 | 106.3 Ų | 106.3 | 60% | 0.596 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -53.5 | -45.8 | 175.5 | -81.4 | -167.6 | -174.8 | 169 | 19.9 | 112.2 | E20 P21 F27 S28 | E20-R24 PolarHBondContact O-N 2.92Å; E20-R24 IonicContact OE1-CZ 3.06Å; E20-R24 IonicContact OE1-NE 2.63Å; E20-R24 PolarHBondContact OE1-NE 2.95Å; E20-R24 IonicContact OE1-NH2 2.77Å; E20-R24 PolarHBondContact OE1-NH2 3.2Å; E20-R24 WeakPolarHBondContact OE2-CD 3.3Å; E20-R24 IonicContact OE2-CZ 3.31Å; E20-R24 VanDerWaalsContact OE2-CZ 3.31Å; E20-R24 IonicContact OE2-NE 3.09Å; E20-R24 PolarHBondContact OE2-NE 3.03Å; E20-R24 VanDerWaalsContact OE2-NE 3.09Å; E20-R24 IonicContact OE2-NH2 3.45Å; E20-R24 PolarHBondContact OE2-NH2 2.97Å; P21-R24 PolarHBondContact O-N 3.24Å; R24-F27 PolarHBondContact O-N 3.35Å; R24-S28 WeakPolarHBondContact O-CB 3.39Å; R24-S28 PolarHBondContact O-N 2.87Å; R24-S28 PolarHBondContact O-OG 3.38Å |
| 25 | Q | 84.8 | Confident | 79.8 | Confident | 131 Ų | 131 | 100.7 Ų | 100.7 | 61% | 0.612 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.4 | -46.4 | 179.7 | -175.4 | 174 | -19.3 | 0 | 0 | 111.3 | P21 I22 L23 F27 S28 T29 | P21-Q25 WeakPolarHBondContact O-CB 3.43Å; P21-Q25 PolarHBondContact O-N 2.69Å; I22-Q25 PolarHBondContact O-N 3.12Å; L23-Q25 VanDerWaalsContact C-N 3.27Å; L23-Q25 PolarHBondContact O-N 3.17Å; Q25-F27 VanDerWaalsContact C-N 3.26Å; Q25-F27 PolarHBondContact O-N 3.18Å; Q25-S28 PolarHBondContact O-N 3.32Å; Q25-S28 VanDerWaalsContact O-N 3.08Å; Q25-T29 HydrophobicContact CG-CG2 4.2Å; Q25-T29 PolarHBondContact O-N 3.34Å; Q25-T29 PolarHBondContact O-OG1 3.44Å |
| 26 | L | 83.6 | Confident | 80.7 | Confident | 102 Ų | 102 | 95 Ų | 95 | 53% | 0.534 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -55.7 | -40.5 | 175.9 | -75.9 | 167.9 | 0 | 0 | 0 | 112.1 | I22 L23 S30 | I22-L26 HydrophobicContact CG2-CD1 4.17Å; I22-L26 WeakPolarHBondContact O-CG 3.4Å; I22-L26 PolarHBondContact O-N 3.16Å; L23-L26 WeakPolarHBondContact O-CB 3.03Å; L23-L26 PolarHBondContact O-N 3.04Å; L23-L26 VanDerWaalsContact O-N 3.17Å; L26-S30 WeakPolarHBondContact O-CB 3.49Å; L26-S30 PolarHBondContact O-N 2.9Å; L26-S30 VanDerWaalsContact O-N 3.15Å; L26-S30 PolarHBondContact O-OG 3.29Å |
| 27 | F | 81.2 | Confident | 81.7 | Confident | 82 Ų | 82 | 92.6 Ų | 92.6 | 36% | 0.36 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -75 | -31.8 | 176.7 | -75 | -73 | 0 | 0 | 0 | 113.5 | L23 R24 Q25 S30 L35 F44 | L23-F27 WeakPolarHBondContact O-CD2 3.26Å; L23-F27 PolarHBondContact O-N 3.47Å; R24-F27 PolarHBondContact O-N 3.35Å; Q25-F27 VanDerWaalsContact C-N 3.26Å; Q25-F27 PolarHBondContact O-N 3.18Å; F27-S30 WeakPolarHBondContact CA-OG 3.44Å; F27-S30 PolarHBondContact O-OG 2.92Å; F27-L35 HydrophobicContact CD1-CD1 4.31Å; F27-L35 HydrophobicContact CD1-CD2 3.28Å; F27-L35 HydrophobicContact CD1-CG 4.42Å; F27-L35 HydrophobicContact CE1-CD2 3.53Å; F27-L35 HydrophobicContact CG-CD2 4.47Å; F27-F44 HydrophobicContact CE1-CE2 4.27Å; F27-F44 HydrophobicContact CE2-CE1 4.5Å; F27-F44 HydrophobicContact CE2-CZ 4.07Å; F27-F44 HydrophobicContact CZ-CD2 4.29Å; F27-F44 HydrophobicContact CZ-CE1 4.12Å; F27-F44 AromaticContact CZ-CE2 3.57Å; F27-F44 HydrophobicContact CZ-CE2 3.57Å; F27-F44 AromaticContact CZ-CZ 3.48Å; F27-F44 HydrophobicContact CZ-CZ 3.48Å; F27-F44 VanDerWaalsContact CZ-CZ 3.48Å |
| 28 | S | 81.5 | Confident | 82.6 | Confident | 100 Ų | 100 | 94.8 Ų | 94.8 | 70% | 0.699 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -77.1 | -30.9 | -179.1 | -56.7 | 0 | 0 | 0 | 0 | 112.8 | R24 Q25 | R24-S28 WeakPolarHBondContact O-CB 3.39Å; R24-S28 PolarHBondContact O-N 2.87Å; R24-S28 PolarHBondContact O-OG 3.38Å; Q25-S28 PolarHBondContact O-N 3.32Å; Q25-S28 VanDerWaalsContact O-N 3.08Å |
| 29 | T | 83.1 | Confident | 82.9 | Confident | 103 Ų | 103 | 98.7 Ų | 98.7 | 63% | 0.632 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -100.6 | -8.6 | -178.5 | 63.5 | 0 | 0 | 0 | 0 | 113.4 | Q25 | Q25-T29 HydrophobicContact CG-CG2 4.2Å; Q25-T29 PolarHBondContact O-N 3.34Å; Q25-T29 PolarHBondContact O-OG1 3.44Å |
| 30 | S | 82.5 | Confident | 83.2 | Confident | 24 Ų | 24 | 95.7 Ų | 95.7 | 17% | 0.168 | 50% | 0.498 | C | S | . | . | S | Bend | trans | -76.5 | 142.9 | -178.8 | 46 | 0 | 0 | 0 | 0 | 112.1 | L26 F27 L35 | L26-S30 WeakPolarHBondContact O-CB 3.49Å; L26-S30 PolarHBondContact O-N 2.9Å; L26-S30 VanDerWaalsContact O-N 3.15Å; L26-S30 PolarHBondContact O-OG 3.29Å; F27-S30 WeakPolarHBondContact CA-OG 3.44Å; F27-S30 PolarHBondContact O-OG 2.92Å; S30-L35 WeakPolarHBondContact OG-CD2 3.22Å |
| 31 | P | 81.6 | Confident | 83.4 | Confident | 94 Ų | 94 | 97.7 Ų | 97.7 | 61% | 0.61 | 50% | 0.502 | S | S | * | . | trans | -61 | 140.8 | 170.4 | -22.7 | 33.3 | 0 | 0 | 0 | 111.4 | A33 F34 L35 | P31-A33 PolarHBondContact O-N 3.08Å; P31-F34 VanDerWaalsContact O-CB 3.3Å; P31-F34 WeakPolarHBondContact O-CB 3.48Å; P31-F34 PolarHBondContact O-N 3.35Å; P31-L35 PolarHBondContact O-N 3.34Å | ||
| 32 | Q | 77.9 | Confident | 83.5 | Confident | 145 Ų | 145 | 97 Ų | 97 | 68% | 0.678 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -49.6 | -37.4 | 177.7 | -161.2 | 96.9 | -12.7 | 0 | 0 | 112.5 | F34 L35 Q36 | Q32-F34 VanDerWaalsContact C-N 3.28Å; Q32-F34 PolarHBondContact O-N 3.29Å; Q32-L35 PolarHBondContact O-N 2.88Å; Q32-L35 VanDerWaalsContact O-N 3.16Å; Q32-Q36 HydrophobicContact CG-CG 4.47Å; Q32-Q36 WeakPolarHBondContact O-CG 3.31Å; Q32-Q36 PolarHBondContact O-N 2.97Å |
| 33 | A | 77.3 | Confident | 83.6 | Confident | 81 Ų | 81 | 98.3 Ų | 98.3 | 67% | 0.669 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -60.9 | -34.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | P31 S37 | P31-A33 PolarHBondContact O-N 3.08Å; A33-S37 PolarHBondContact O-N 2.93Å |
| 34 | F | 81.7 | Confident | 83.5 | Confident | 121 Ų | 121 | 98.8 Ų | 98.8 | 53% | 0.531 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67.8 | -42.9 | 175.1 | 178.6 | -101.6 | 0 | 0 | 0 | 110.9 | P31 Q32 Q36 S37 V40 | P31-F34 VanDerWaalsContact O-CB 3.3Å; P31-F34 WeakPolarHBondContact O-CB 3.48Å; P31-F34 PolarHBondContact O-N 3.35Å; Q32-F34 VanDerWaalsContact C-N 3.28Å; Q32-F34 PolarHBondContact O-N 3.29Å; F34-Q36 VanDerWaalsContact C-N 3.32Å; F34-Q36 PolarHBondContact O-N 3Å; F34-S37 WeakPolarHBondContact O-CB 3.35Å; F34-S37 PolarHBondContact O-N 3.04Å; F34-V40 HydrophobicContact CD1-CG2 4.49Å; F34-V40 HydrophobicContact CD2-CG2 4.28Å; F34-V40 HydrophobicContact CE1-CG2 4.14Å; F34-V40 HydrophobicContact CE2-CG2 3.92Å; F34-V40 HydrophobicContact CZ-CG2 3.84Å; F34-V40 WeakPolarHBondContact O-CG2 3.35Å |
| 35 | L | 80.6 | Confident | 83.3 | Confident | 43 Ų | 43 | 99.7 Ų | 99.7 | 23% | 0.225 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -68.4 | -30.8 | 178 | -58.6 | -173.8 | 0 | 0 | 0 | 113.2 | F27 S30 P31 Q32 S37 R41 | F27-L35 HydrophobicContact CD1-CD1 4.31Å; F27-L35 HydrophobicContact CD1-CD2 3.28Å; F27-L35 HydrophobicContact CD1-CG 4.42Å; F27-L35 HydrophobicContact CE1-CD2 3.53Å; F27-L35 HydrophobicContact CG-CD2 4.47Å; S30-L35 WeakPolarHBondContact OG-CD2 3.22Å; P31-L35 PolarHBondContact O-N 3.34Å; Q32-L35 PolarHBondContact O-N 2.88Å; Q32-L35 VanDerWaalsContact O-N 3.16Å; L35-S37 VanDerWaalsContact C-N 3.3Å; L35-R41 WeakPolarHBondContact O-CG 3.39Å |
| 36 | Q | 84.8 | Confident | 83 | Confident | 108 Ų | 108 | 96.4 Ų | 96.4 | 51% | 0.505 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -81.3 | -9.8 | 175.6 | -64.7 | -56.7 | -32.6 | 0 | 0 | 113.3 | Q32 F34 H38 | Q32-Q36 HydrophobicContact CG-CG 4.47Å; Q32-Q36 WeakPolarHBondContact O-CG 3.31Å; Q32-Q36 PolarHBondContact O-N 2.97Å; F34-Q36 VanDerWaalsContact C-N 3.32Å; F34-Q36 PolarHBondContact O-N 3Å; Q36-H38 PolarHBondContact O-N 3.17Å |
| 37 | S | 89.2 | Confident | 82.4 | Confident | 47 Ų | 47 | 95.3 Ų | 95.3 | 33% | 0.329 | 49% | 0.489 | S | S | . | . | trans | -57.4 | 129.6 | 178.4 | 177.6 | 0 | 0 | 0 | 0 | 111.4 | A33 F34 L35 K39 V40 R41 | A33-S37 PolarHBondContact O-N 2.93Å; F34-S37 WeakPolarHBondContact O-CB 3.35Å; F34-S37 PolarHBondContact O-N 3.04Å; L35-S37 VanDerWaalsContact C-N 3.3Å; S37-K39 PolarHBondContact O-N 3.15Å; S37-K39 PolarHBondContact OG-N 3.49Å; S37-V40 PolarHBondContact O-N 3.47Å; S37-V40 VanDerWaalsContact O-N 3.12Å; S37-R41 WeakPolarHBondContact O-CG 3.14Å; S37-R41 PolarHBondContact O-N 3.33Å | ||
| 38 | H | 88.7 | Confident | 81.7 | Confident | 153 Ų | 153 | 94.1 Ų | 94.1 | 71% | 0.708 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -54.6 | -37.9 | 177.1 | 178.4 | -101.1 | 0 | 0 | 0 | 112.1 | Q36 R41 S42 | Q36-H38 PolarHBondContact O-N 3.17Å; H38-R41 PolarHBondContact O-N 3.34Å; H38-S42 WeakPolarHBondContact O-CB 3.29Å; H38-S42 PolarHBondContact O-N 3.39Å |
| 39 | K | 86.8 | Confident | 80.5 | Confident | 173 Ų | 173 | 92.2 Ų | 92.2 | 75% | 0.752 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -64.1 | -44.3 | 179.7 | -170.3 | 176 | -177.9 | -179.8 | 0 | 111.8 | S37 F43 | S37-K39 PolarHBondContact O-N 3.15Å; S37-K39 PolarHBondContact OG-N 3.49Å; K39-F43 WeakPolarHBondContact O-CB 3.41Å; K39-F43 PolarHBondContact O-N 3.47Å |
| 40 | V | 85.4 | Confident | 79.2 | Confident | 20 Ų | 20 | 93.4 Ų | 93.4 | 12% | 0.121 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -66 | -49.1 | 178.1 | 176.8 | 0 | 0 | 0 | 0 | 109.8 | F34 S37 S42 F43 F44 | F34-V40 HydrophobicContact CD1-CG2 4.49Å; F34-V40 HydrophobicContact CD2-CG2 4.28Å; F34-V40 HydrophobicContact CE1-CG2 4.14Å; F34-V40 HydrophobicContact CE2-CG2 3.92Å; F34-V40 HydrophobicContact CZ-CG2 3.84Å; F34-V40 WeakPolarHBondContact O-CG2 3.35Å; S37-V40 PolarHBondContact O-N 3.47Å; S37-V40 VanDerWaalsContact O-N 3.12Å; V40-S42 VanDerWaalsContact C-N 3.33Å; V40-S42 PolarHBondContact O-N 3.16Å; V40-F43 PolarHBondContact O-N 2.87Å; V40-F44 HydrophobicContact CG1-CD2 3.93Å; V40-F44 HydrophobicContact CG1-CE2 3.84Å; V40-F44 VanDerWaalsContact O-CD2 3.22Å; V40-F44 WeakPolarHBondContact O-CD2 3.14Å; V40-F44 PolarHBondContact O-N 3.04Å; V40-F44 VanDerWaalsContact O-N 3.16Å |
| 41 | R | 86.4 | Confident | 78 | Confident | 128 Ų | 128 | 95.4 Ų | 95.4 | 48% | 0.483 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.2 | -38.7 | 178.7 | -67 | 177.8 | 65 | 158.3 | -1.4 | 112.9 | L35 S37 H38 R45 | L35-R41 WeakPolarHBondContact O-CG 3.39Å; S37-R41 WeakPolarHBondContact O-CG 3.14Å; S37-R41 PolarHBondContact O-N 3.33Å; H38-R41 PolarHBondContact O-N 3.34Å; R41-R45 WeakPolarHBondContact O-CB 3.23Å; R41-R45 PolarHBondContact O-N 2.81Å; R41-R45 VanDerWaalsContact O-N 3.13Å |
| 42 | S | 85.8 | Confident | 76.7 | Confident | 56 Ų | 56 | 96 Ų | 96 | 39% | 0.392 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -67.6 | -43.9 | 178.2 | -171.6 | 0 | 0 | 0 | 0 | 111.5 | H38 V40 F44 R45 S46 | H38-S42 WeakPolarHBondContact O-CB 3.29Å; H38-S42 PolarHBondContact O-N 3.39Å; V40-S42 VanDerWaalsContact C-N 3.33Å; V40-S42 PolarHBondContact O-N 3.16Å; S42-F44 PolarHBondContact O-N 3.38Å; S42-R45 PolarHBondContact O-N 3.49Å; S42-S46 PolarHBondContact O-N 3.11Å; S42-S46 PolarHBondContact O-OG 3.21Å |
| 43 | F | 85.9 | Confident | 75.4 | Confident | 118 Ų | 118 | 94.6 Ų | 94.6 | 52% | 0.518 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -57.7 | -49.8 | 176.5 | 177.4 | -98.3 | 0 | 0 | 0 | 112.6 | K39 V40 R45 S46 I47 | K39-F43 WeakPolarHBondContact O-CB 3.41Å; K39-F43 PolarHBondContact O-N 3.47Å; V40-F43 PolarHBondContact O-N 2.87Å; F43-R45 VanDerWaalsContact C-N 3.3Å; F43-R45 PolarHBondContact O-N 3.38Å; F43-S46 PolarHBondContact O-N 3.32Å; F43-S46 PolarHBondContact O-OG 3.47Å; F43-I47 HydrophobicContact CD1-CD1 3.7Å; F43-I47 HydrophobicContact CD2-CD1 4.29Å; F43-I47 HydrophobicContact CE1-CD1 3.29Å; F43-I47 HydrophobicContact CE2-CD1 3.94Å; F43-I47 HydrophobicContact CG-CD1 4.19Å; F43-I47 HydrophobicContact CZ-CD1 3.45Å; F43-I47 VanDerWaalsContact CZ-CD1 3.45Å; F43-I47 WeakPolarHBondContact O-CD1 3.32Å; F43-I47 VanDerWaalsContact O-CG1 3.31Å; F43-I47 WeakPolarHBondContact O-CG1 3.47Å; F43-I47 PolarHBondContact O-N 2.97Å |
| 44 | F | 81.4 | Confident | 74.1 | Confident | 88 Ų | 88 | 94.9 Ų | 94.9 | 39% | 0.386 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -68.7 | -29.3 | 178.6 | -73.8 | -72 | 0 | 0 | 0 | 112.9 | F27 V40 S42 S48 | F27-F44 HydrophobicContact CE1-CE2 4.27Å; F27-F44 HydrophobicContact CE2-CE1 4.5Å; F27-F44 HydrophobicContact CE2-CZ 4.07Å; F27-F44 HydrophobicContact CZ-CD2 4.29Å; F27-F44 HydrophobicContact CZ-CE1 4.12Å; F27-F44 AromaticContact CZ-CE2 3.57Å; F27-F44 HydrophobicContact CZ-CE2 3.57Å; F27-F44 AromaticContact CZ-CZ 3.48Å; F27-F44 HydrophobicContact CZ-CZ 3.48Å; F27-F44 VanDerWaalsContact CZ-CZ 3.48Å; V40-F44 HydrophobicContact CG1-CD2 3.93Å; V40-F44 HydrophobicContact CG1-CE2 3.84Å; V40-F44 VanDerWaalsContact O-CD2 3.22Å; V40-F44 WeakPolarHBondContact O-CD2 3.14Å; V40-F44 PolarHBondContact O-N 3.04Å; V40-F44 VanDerWaalsContact O-N 3.16Å; S42-F44 PolarHBondContact O-N 3.38Å; F44-S48 PolarHBondContact O-N 3.4Å; F44-S48 VanDerWaalsContact O-N 3.15Å |
| 45 | R | 80 | Confident | 72.6 | Confident | 176 Ų | 176 | 94.4 Ų | 94.4 | 66% | 0.664 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -69.9 | -40.9 | 174 | -170.9 | -173.2 | -61 | -128 | 2.3 | 112.3 | R41 S42 F43 S48 S49 | R41-R45 WeakPolarHBondContact O-CB 3.23Å; R41-R45 PolarHBondContact O-N 2.81Å; R41-R45 VanDerWaalsContact O-N 3.13Å; S42-R45 PolarHBondContact O-N 3.49Å; F43-R45 VanDerWaalsContact C-N 3.3Å; F43-R45 PolarHBondContact O-N 3.38Å; R45-S48 PolarHBondContact O-N 2.85Å; R45-S49 PolarHBondContact O-N 3.08Å; R45-S49 VanDerWaalsContact O-N 3.11Å |
| 46 | S | 78 | Confident | 71.2 | Confident | 63 Ų | 63 | 100.4 Ų | 100.4 | 44% | 0.441 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.3 | -41.4 | 179.4 | 61.5 | 0 | 0 | 0 | 0 | 111.4 | S42 F43 S48 S49 E50 | S42-S46 PolarHBondContact O-N 3.11Å; S42-S46 PolarHBondContact O-OG 3.21Å; F43-S46 PolarHBondContact O-N 3.32Å; F43-S46 PolarHBondContact O-OG 3.47Å; S46-S48 VanDerWaalsContact C-N 3.34Å; S46-S48 PolarHBondContact O-N 3.29Å; S46-S49 WeakPolarHBondContact O-CB 3.44Å; S46-S49 PolarHBondContact O-N 3.11Å; S46-E50 PolarHBondContact O-N 3.17Å; S46-E50 VanDerWaalsContact O-N 3.1Å |
| 47 | I | 71.8 | Confident | 69.6 | Low | 78 Ų | 78 | 100.3 Ų | 100.3 | 40% | 0.4 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.6 | -38.9 | 176.1 | -61.9 | 165.5 | 0 | 0 | 0 | 111.3 | F43 S49 E50 S51 | F43-I47 HydrophobicContact CD1-CD1 3.7Å; F43-I47 HydrophobicContact CD2-CD1 4.29Å; F43-I47 HydrophobicContact CE1-CD1 3.29Å; F43-I47 HydrophobicContact CE2-CD1 3.94Å; F43-I47 HydrophobicContact CG-CD1 4.19Å; F43-I47 HydrophobicContact CZ-CD1 3.45Å; F43-I47 VanDerWaalsContact CZ-CD1 3.45Å; F43-I47 WeakPolarHBondContact O-CD1 3.32Å; F43-I47 VanDerWaalsContact O-CG1 3.31Å; F43-I47 WeakPolarHBondContact O-CG1 3.47Å; F43-I47 PolarHBondContact O-N 2.97Å; I47-S49 VanDerWaalsContact C-N 3.29Å; I47-S49 PolarHBondContact O-N 2.88Å; I47-E50 PolarHBondContact O-N 2.87Å; I47-S51 PolarHBondContact O-N 3.31Å; I47-S51 PolarHBondContact O-OG 3.13Å |
| 48 | S | 64.5 | Low | 67.6 | Low | 58 Ų | 58 | 103.5 Ų | 103.5 | 41% | 0.406 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.7 | -35.2 | 174.4 | -172.7 | 0 | 0 | 0 | 0 | 112.6 | F44 R45 S46 S51 Q52 | F44-S48 PolarHBondContact O-N 3.4Å; F44-S48 VanDerWaalsContact O-N 3.15Å; R45-S48 PolarHBondContact O-N 2.85Å; S46-S48 VanDerWaalsContact C-N 3.34Å; S46-S48 PolarHBondContact O-N 3.29Å; S48-S51 WeakPolarHBondContact CA-OG 3.47Å; S48-S51 PolarHBondContact O-OG 3.04Å; S48-Q52 WeakPolarHBondContact O-CB 3.45Å; S48-Q52 VanDerWaalsContact O-CG 3.29Å; S48-Q52 WeakPolarHBondContact O-CG 3.38Å; S48-Q52 PolarHBondContact O-N 3.42Å; S48-Q52 VanDerWaalsContact O-N 3.08Å |
| 49 | S | 57.5 | Low | 65.9 | Low | 59 Ų | 59 | 101.2 Ų | 101.2 | 41% | 0.413 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -70.5 | -41 | 177.4 | -168.7 | 0 | 0 | 0 | 0 | 111.8 | R45 S46 I47 Q52 H53 | R45-S49 PolarHBondContact O-N 3.08Å; R45-S49 VanDerWaalsContact O-N 3.11Å; S46-S49 WeakPolarHBondContact O-CB 3.44Å; S46-S49 PolarHBondContact O-N 3.11Å; I47-S49 VanDerWaalsContact C-N 3.29Å; I47-S49 PolarHBondContact O-N 2.88Å; S49-Q52 PolarHBondContact O-N 2.82Å; S49-H53 PolarHBondContact O-N 3Å |
| 50 | E | 56.5 | Low | 64 | Low | 129 Ų | 129 | 95.9 Ų | 95.9 | 60% | 0.603 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -69.2 | -38.6 | -180 | -159.6 | 173.4 | 170 | 0 | 0 | 112 | S46 I47 H53 N54 | S46-E50 PolarHBondContact O-N 3.17Å; S46-E50 VanDerWaalsContact O-N 3.1Å; I47-E50 PolarHBondContact O-N 2.87Å; E50-H53 PolarHBondContact O-N 3.34Å; E50-N54 WeakPolarHBondContact O-CB 3.24Å; E50-N54 PolarHBondContact O-N 2.95Å; E50-N54 PolarHBondContact O-ND2 2.88Å |
| 51 | S | 56.4 | Low | 62.3 | Low | 65 Ų | 65 | 98.1 Ų | 98.1 | 46% | 0.455 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66 | -37.7 | 170.7 | 58.5 | 0 | 0 | 0 | 0 | 112.9 | I47 S48 N54 F55 | I47-S51 PolarHBondContact O-N 3.31Å; I47-S51 PolarHBondContact O-OG 3.13Å; S48-S51 WeakPolarHBondContact CA-OG 3.47Å; S48-S51 PolarHBondContact O-OG 3.04Å; S51-N54 PolarHBondContact O-N 2.88Å; S51-F55 VanDerWaalsContact O-CB 3.26Å; S51-F55 WeakPolarHBondContact O-CB 3.39Å; S51-F55 PolarHBondContact O-N 3.2Å |
| 52 | Q | 54.7 | Low | 60.5 | Low | 108 Ų | 108 | 97 Ų | 97 | 51% | 0.505 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -68.4 | -36.6 | 173.5 | -78.5 | -175.7 | -7.1 | 0 | 0 | 112.6 | S48 S49 R56 | S48-Q52 WeakPolarHBondContact O-CB 3.45Å; S48-Q52 VanDerWaalsContact O-CG 3.29Å; S48-Q52 WeakPolarHBondContact O-CG 3.38Å; S48-Q52 PolarHBondContact O-N 3.42Å; S48-Q52 VanDerWaalsContact O-N 3.08Å; S49-Q52 PolarHBondContact O-N 2.82Å; Q52-R56 WeakPolarHBondContact O-CB 3.29Å; Q52-R56 PolarHBondContact O-N 3.5Å |
| 53 | H | 50.8 | Low | 58.2 | Low | 115 Ų | 115 | 102.4 Ų | 102.4 | 53% | 0.532 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.8 | -43.5 | 173.5 | -96.5 | -77.9 | 0 | 0 | 0 | 111.6 | S49 E50 R56 L57 | S49-H53 PolarHBondContact O-N 3Å; E50-H53 PolarHBondContact O-N 3.34Å; H53-R56 PolarHBondContact O-N 3.41Å; H53-L57 VanDerWaalsContact O-CB 3.31Å; H53-L57 WeakPolarHBondContact O-CB 3.46Å; H53-L57 WeakPolarHBondContact O-CG 3.35Å; H53-L57 PolarHBondContact O-N 3.5Å |
| 54 | N | 48.7 | Very low | 56.2 | Low | 86 Ų | 86 | 103.1 Ų | 103.1 | 46% | 0.46 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65 | -41.2 | 175 | -79.6 | -64.8 | 0 | 0 | 0 | 112.4 | E50 S51 L57 Q58 | E50-N54 WeakPolarHBondContact O-CB 3.24Å; E50-N54 PolarHBondContact O-N 2.95Å; E50-N54 PolarHBondContact O-ND2 2.88Å; S51-N54 PolarHBondContact O-N 2.88Å; N54-L57 PolarHBondContact O-N 3.34Å; N54-Q58 WeakPolarHBondContact O-CB 3.31Å; N54-Q58 VanDerWaalsContact O-CG 3.29Å; N54-Q58 WeakPolarHBondContact O-CG 3.28Å; N54-Q58 PolarHBondContact O-N 3.49Å |
| 55 | F | 51.7 | Low | 54.4 | Low | 112 Ų | 112 | 105.8 Ų | 105.8 | 49% | 0.491 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -65.3 | -37.8 | 173.6 | -177.6 | -109.2 | 0 | 0 | 0 | 112.5 | S51 K59 | S51-F55 VanDerWaalsContact O-CB 3.26Å; S51-F55 WeakPolarHBondContact O-CB 3.39Å; S51-F55 PolarHBondContact O-N 3.2Å; F55-K59 HydrophobicContact CD1-CD 4.04Å; F55-K59 HydrophobicContact CE1-CD 3.6Å; F55-K59 HydrophobicContact CE2-CD 4.48Å; F55-K59 HydrophobicContact CZ-CD 3.87Å; F55-K59 WeakPolarHBondContact O-CB 3.46Å; F55-K59 WeakPolarHBondContact O-CG 3.18Å; F55-K59 PolarHBondContact O-N 2.88Å |
| 56 | R | 50.6 | Low | 52.4 | Low | 169 Ų | 169 | 100.9 Ų | 100.9 | 64% | 0.638 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -71.1 | -36.5 | 176.9 | -159.8 | -177.5 | -61.6 | -115.4 | 5.1 | 111.5 | Q52 H53 K59 S60 | Q52-R56 WeakPolarHBondContact O-CB 3.29Å; Q52-R56 PolarHBondContact O-N 3.5Å; H53-R56 PolarHBondContact O-N 3.41Å; R56-K59 PolarHBondContact O-N 2.98Å; R56-S60 WeakPolarHBondContact O-CB 3.35Å; R56-S60 PolarHBondContact O-N 3.36Å; R56-S60 PolarHBondContact O-OG 3.39Å; R56-S60 VanDerWaalsContact O-OG 3.11Å |
| 57 | L | 50.3 | Low | 51 | Low | 106 Ų | 106 | 104.9 Ų | 104.9 | 56% | 0.555 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -68.3 | -42.7 | 173.1 | -73.3 | 166.9 | 0 | 0 | 0 | 112.1 | H53 N54 S60 A61 | H53-L57 VanDerWaalsContact O-CB 3.31Å; H53-L57 WeakPolarHBondContact O-CB 3.46Å; H53-L57 WeakPolarHBondContact O-CG 3.35Å; H53-L57 PolarHBondContact O-N 3.5Å; N54-L57 PolarHBondContact O-N 3.34Å; L57-S60 VanDerWaalsContact CA-OG 3.28Å; L57-S60 WeakPolarHBondContact CA-OG 3.37Å; L57-S60 PolarHBondContact O-N 3.36Å; L57-S60 PolarHBondContact O-OG 3.34Å; L57-A61 WeakPolarHBondContact O-CB 3.41Å; L57-A61 PolarHBondContact O-N 2.84Å |
| 58 | Q | 48.6 | Very low | 49.8 | Very low | 113 Ų | 113 | 108.6 Ų | 108.6 | 53% | 0.528 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -62.9 | -41.9 | 172.6 | -76.8 | 179 | -12.8 | 0 | 0 | 111.4 | N54 A61 V62 | N54-Q58 WeakPolarHBondContact O-CB 3.31Å; N54-Q58 VanDerWaalsContact O-CG 3.29Å; N54-Q58 WeakPolarHBondContact O-CG 3.28Å; N54-Q58 PolarHBondContact O-N 3.49Å; Q58-A61 PolarHBondContact O-N 2.92Å; Q58-V62 WeakPolarHBondContact O-CG2 2.89Å; Q58-V62 PolarHBondContact O-N 3.4Å |
| 59 | K | 51.6 | Low | 48.5 | Very low | 105 Ų | 105 | 110.7 Ų | 110.7 | 46% | 0.457 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -66.2 | -42.9 | 172.8 | -82.2 | -177.5 | 165.3 | -178.3 | 0 | 112.6 | F55 R56 A61 V62 Y63 | F55-K59 HydrophobicContact CD1-CD 4.04Å; F55-K59 HydrophobicContact CE1-CD 3.6Å; F55-K59 HydrophobicContact CE2-CD 4.48Å; F55-K59 HydrophobicContact CZ-CD 3.87Å; F55-K59 WeakPolarHBondContact O-CB 3.46Å; F55-K59 WeakPolarHBondContact O-CG 3.18Å; F55-K59 PolarHBondContact O-N 2.88Å; R56-K59 PolarHBondContact O-N 2.98Å; K59-A61 VanDerWaalsContact C-N 3.27Å; K59-A61 PolarHBondContact O-N 3.33Å; K59-V62 PolarHBondContact O-N 3.49Å; K59-Y63 WeakPolarHBondContact O-CD2 3.25Å; K59-Y63 PolarHBondContact O-N 2.95Å |
| 60 | S | 46.9 | Very low | 48 | Very low | 61 Ų | 61 | 117.1 Ų | 117.1 | 43% | 0.427 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -66.1 | -29.6 | 178.2 | 58.5 | 0 | 0 | 0 | 0 | 113 | R56 L57 V62 Y63 | R56-S60 WeakPolarHBondContact O-CB 3.35Å; R56-S60 PolarHBondContact O-N 3.36Å; R56-S60 PolarHBondContact O-OG 3.39Å; R56-S60 VanDerWaalsContact O-OG 3.11Å; L57-S60 VanDerWaalsContact CA-OG 3.28Å; L57-S60 WeakPolarHBondContact CA-OG 3.37Å; L57-S60 PolarHBondContact O-N 3.36Å; L57-S60 PolarHBondContact O-OG 3.34Å; S60-V62 VanDerWaalsContact C-N 3.27Å; S60-V62 PolarHBondContact O-N 2.82Å; S60-Y63 PolarHBondContact O-N 2.93Å |
| 61 | A | 51.2 | Low | 46.8 | Very low | 68 Ų | 68 | 117.7 Ų | 117.7 | 56% | 0.562 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -70.7 | -22 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113 | L57 Q58 K59 V64 | L57-A61 WeakPolarHBondContact O-CB 3.41Å; L57-A61 PolarHBondContact O-N 2.84Å; Q58-A61 PolarHBondContact O-N 2.92Å; K59-A61 VanDerWaalsContact C-N 3.27Å; K59-A61 PolarHBondContact O-N 3.33Å; A61-V64 WeakPolarHBondContact O-CG2 3.24Å |
| 62 | V | 47.6 | Very low | 46.3 | Very low | 103 Ų | 103 | 120.6 Ų | 120.6 | 62% | 0.624 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -87.4 | -25.1 | 172.5 | 176.3 | 0 | 0 | 0 | 0 | 111.6 | Q58 K59 S60 V64 D65 | Q58-V62 WeakPolarHBondContact O-CG2 2.89Å; Q58-V62 PolarHBondContact O-N 3.4Å; K59-V62 PolarHBondContact O-N 3.49Å; S60-V62 VanDerWaalsContact C-N 3.27Å; S60-V62 PolarHBondContact O-N 2.82Å; V62-V64 VanDerWaalsContact C-N 3.3Å; V62-V64 PolarHBondContact O-N 2.85Å; V62-D65 PolarHBondContact O-N 3.1Å |
| 63 | Y | 37.6 | Very low | 45.4 | Very low | 171 Ų | 171 | 119.6 Ų | 119.6 | 67% | 0.671 | 65% | 0.647 | S | S | * | * | G | 310 helix | trans | -77 | -5.1 | -179.3 | -98.3 | -82.8 | 0 | 0 | 0 | 115.4 | K59 S60 D65 | K59-Y63 WeakPolarHBondContact O-CD2 3.25Å; K59-Y63 PolarHBondContact O-N 2.95Å; S60-Y63 PolarHBondContact O-N 2.93Å; Y63-D65 PolarHBondContact O-N 3.13Å |
| 64 | V | 43.4 | Very low | 45 | Very low | 132 Ų | 132 | 121.2 Ų | 121.2 | 80% | 0.8 | 66% | 0.664 | S | S | * | * | G | 310 helix | trans | -80.6 | -2.9 | 170.6 | -67.3 | 0 | 0 | 0 | 0 | 113.6 | A61 V62 | A61-V64 WeakPolarHBondContact O-CG2 3.24Å; V62-V64 VanDerWaalsContact C-N 3.3Å; V62-V64 PolarHBondContact O-N 2.85Å |
| 65 | D | 44.8 | Very low | 44.4 | Very low | 145 Ų | 145 | 122.3 Ų | 122.3 | 78% | 0.775 | 67% | 0.67 | S | S | * | * | G | 310 helix | trans | -116.3 | 15.3 | 175.9 | -164.1 | 33.4 | 0 | 0 | 0 | 113.5 | V62 Y63 | V62-D65 PolarHBondContact O-N 3.1Å; Y63-D65 PolarHBondContact O-N 3.13Å |
| 66 | S | 36.9 | Very low | 44.3 | Very low | 72 Ų | 72 | 125.8 Ų | 125.8 | 50% | 0.503 | 69% | 0.685 | S | S | . | * | trans | -143.7 | 77.5 | 176.4 | -58.9 | 0 | 0 | 0 | 0 | 110.2 | L68 | S66-L68 VanDerWaalsContact C-N 3.28Å; S66-L68 PolarHBondContact O-N 3.11Å | ||
| 67 | T | 49.3 | Very low | 43.9 | Very low | 147 Ų | 147 | 127.6 Ų | 127.6 | 90% | 0.902 | 69% | 0.692 | S | S | * | * | trans | -59.1 | 98.6 | 146.7 | 35.3 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 68 | L | 46.1 | Very low | 43.3 | Very low | 157 Ų | 157 | 131.1 Ų | 131.1 | 82% | 0.822 | 71% | 0.705 | S | S | * | * | trans | -179 | 135.5 | 134.2 | -159.7 | 57.9 | 0 | 0 | 0 | 110.6 | S66 | S66-L68 VanDerWaalsContact C-N 3.28Å; S66-L68 PolarHBondContact O-N 3.11Å | ||
| 69 | S | 37.5 | Very low | 42.9 | Very low | 102 Ų | 102 | 135.4 Ų | 135.4 | 71% | 0.713 | 75% | 0.745 | S | S | * | * | trans | 76.4 | 70.9 | 168.6 | -62.6 | 0 | 0 | 0 | 0 | 117 | D71 | S69-D71 PolarHBondContact O-N 2.9Š| ||
| 70 | Q | 46.7 | Very low | 42.4 | Very low | 193 Ų | 193 | 136.9 Ų | 136.9 | 90% | 0.902 | 76% | 0.76 | S | S | * | * | trans | -60.2 | 117.4 | 130.2 | -77.2 | 176.5 | -33.3 | 0 | 0 | 108.1 | ||||
| 71 | D | 31.6 | Very low | 42.2 | Very low | 142 Ų | 142 | 140.9 Ų | 140.9 | 76% | 0.759 | 78% | 0.777 | S | S | * | * | trans | -129.9 | 96.8 | 150.6 | -151.1 | -53.7 | 0 | 0 | 0 | 107.7 | S69 S73 | S69-D71 PolarHBondContact O-N 2.9Å; D71-S73 PolarHBondContact O-N 3.4Å | ||
| 72 | C | 45.9 | Very low | 41.7 | Very low | 126 Ų | 126 | 144.9 Ų | 144.9 | 85% | 0.851 | 79% | 0.789 | S | S | * | * | trans | -75.9 | 103.6 | 166.2 | -77.8 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 73 | S | 36.6 | Very low | 41.4 | Very low | 87 Ų | 87 | 147.4 Ų | 147.4 | 61% | 0.608 | 80% | 0.799 | S | S | * | * | trans | -138.5 | 87 | 161.5 | -161.4 | 0 | 0 | 0 | 0 | 110.5 | D71 D75 | D71-S73 PolarHBondContact O-N 3.4Å; S73-D75 VanDerWaalsContact C-N 3.26Å; S73-D75 PolarHBondContact O-N 2.93Å | ||
| 74 | V | 41.1 | Very low | 41.6 | Very low | 148 Ų | 148 | 145.9 Ų | 145.9 | 90% | 0.897 | 81% | 0.807 | S | S | * | * | trans | -87.5 | 77.6 | 156 | -179.7 | 0 | 0 | 0 | 0 | 105.8 | K76 | V74-K76 PolarHBondContact O-N 3.04Š| ||
| 75 | D | 35.9 | Very low | 41.5 | Very low | 109 Ų | 109 | 146.9 Ų | 146.9 | 58% | 0.583 | 81% | 0.807 | S | S | * | * | trans | -73.8 | 111.4 | 165.9 | -151.2 | -105.1 | 0 | 0 | 0 | 107.4 | S73 R77 | S73-D75 VanDerWaalsContact C-N 3.26Å; S73-D75 PolarHBondContact O-N 2.93Å; D75-R77 PolarHBondContact O-N 3.28Å; D75-R77 IonicContact OD1-CZ 3.75Å; D75-R77 IonicContact OD1-NE 3.56Å; D75-R77 IonicContact OD1-NH2 3.02Å; D75-R77 PolarHBondContact OD1-NH2 3.05Å | ||
| 76 | K | 50.4 | Low | 41.2 | Very low | 185 Ų | 185 | 147 Ų | 147 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | trans | -53.4 | 117.6 | 156.8 | -77.1 | 177.4 | 174.6 | 178.2 | 0 | 107.4 | V74 | V74-K76 PolarHBondContact O-N 3.04Š| ||
| 77 | R | 41 | Very low | 41.6 | Very low | 207 Ų | 207 | 152.8 Ų | 152.8 | 78% | 0.781 | 83% | 0.833 | S | S | * | * | trans | 175 | 122.3 | 137.3 | -97.6 | 167.9 | -58.5 | 174.5 | 8.2 | 112 | D75 | D75-R77 PolarHBondContact O-N 3.28Å; D75-R77 IonicContact OD1-CZ 3.75Å; D75-R77 IonicContact OD1-NE 3.56Å; D75-R77 IonicContact OD1-NH2 3.02Å; D75-R77 PolarHBondContact OD1-NH2 3.05Å | ||
| 78 | H | 39.6 | Very low | 40.9 | Very low | 180 Ų | 180 | 153.3 Ų | 153.3 | 83% | 0.833 | 83% | 0.827 | S | S | * | * | trans | 50.2 | 109.6 | 138.5 | -118.7 | 79.1 | 0 | 0 | 0 | 119.2 | ||||
| 79 | C | 38.7 | Very low | 40.5 | Very low | 203 Ų | 203 | 152.9 Ų | 152.9 | 100% | 1.372 | 83% | 0.828 | S | S | * | * | -158.1 | 0 | 116.1 | -97 | 0 | 0 | 0 | 0 | 108.3 |
Retrieved 79 of 79 residues in 75.2 ms
(Link to these results)