| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 42.2 | Very low | 47.1 | Very low | 247 Ų | 247 | 160.4 Ų | 160.4 | 100% | 1.217 | 86% | 0.857 | S | S | * | * | 0 | 89 | 0 | -155.7 | 170.9 | 178.1 | 0 | 0 | 105.7 | |||||
| 2 | I | 38.3 | Very low | 47.9 | Very low | 159 Ų | 159 | 156.9 Ų | 156.9 | 82% | 0.815 | 84% | 0.837 | S | S | * | * | trans | -129.6 | 124.2 | -167.7 | -67.2 | 176.5 | 0 | 0 | 0 | 109 | ||||
| 3 | D | 40.4 | Very low | 47.9 | Very low | 142 Ų | 142 | 154.3 Ų | 154.3 | 76% | 0.759 | 83% | 0.834 | S | S | * | * | trans | 51.7 | 100 | 157.1 | -76.5 | -41.1 | 0 | 0 | 0 | 121.9 | ||||
| 4 | Q | 46.3 | Very low | 48.5 | Very low | 204 Ų | 204 | 154.1 Ų | 154.1 | 95% | 0.953 | 83% | 0.83 | S | S | * | * | trans | -87.1 | 94.1 | 137.7 | -80.5 | -179.8 | -63.7 | 0 | 0 | 109.3 | ||||
| 5 | K | 49.1 | Very low | 49.1 | Very low | 196 Ų | 196 | 148 Ų | 148 | 85% | 0.852 | 80% | 0.797 | S | S | * | * | trans | -162.7 | 136.6 | 154.6 | -149.6 | 166.8 | 179.9 | 177.3 | 0 | 111.9 | ||||
| 6 | A | 47.7 | Very low | 49.3 | Very low | 94 Ų | 94 | 145.4 Ų | 145.4 | 78% | 0.777 | 80% | 0.802 | S | S | * | * | trans | 90.5 | 63.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 7 | Q | 46.1 | Very low | 49.8 | Very low | 209 Ų | 209 | 149.1 Ų | 149.1 | 98% | 0.977 | 81% | 0.808 | S | S | * | * | trans | -93.8 | 84.3 | 142.6 | -83.6 | -175.2 | -34.2 | 0 | 0 | 109.3 | ||||
| 8 | N | 48.5 | Very low | 50.2 | Low | 146 Ų | 146 | 143.2 Ų | 143.2 | 78% | 0.781 | 78% | 0.78 | S | S | * | * | trans | -83.1 | 139.9 | 145.9 | -128.9 | -28.4 | 0 | 0 | 0 | 103.2 | ||||
| 9 | I | 52.4 | Low | 50.2 | Low | 144 Ų | 144 | 144.1 Ų | 144.1 | 74% | 0.738 | 78% | 0.784 | S | S | * | * | S | Bend | -166.5 | 130.8 | 53.7 | -43.1 | 173.3 | 0 | 0 | 0 | 107.3 | |||
| 10 | S | 55.7 | Low | 50.4 | Low | 100 Ų | 100 | 144 Ų | 144 | 70% | 0.699 | 78% | 0.78 | S | S | * | * | trans | 42.7 | 78.6 | 161.7 | 69.4 | 0 | 0 | 0 | 0 | 119.4 | I12 | S10-I12 VanDerWaalsContact C-N 3.34Å; S10-I12 PolarHBondContact O-N 3.5Å | ||
| 11 | S | 51.6 | Low | 50.2 | Low | 123 Ų | 123 | 147.6 Ų | 147.6 | 86% | 0.86 | 78% | 0.782 | S | S | * | * | trans | -89.9 | 71.9 | 162.7 | 57.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 12 | I | 56 | Low | 50.4 | Low | 119 Ų | 119 | 139.5 Ų | 139.5 | 61% | 0.61 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 122.3 | 161.4 | -51.9 | 171.7 | 0 | 0 | 0 | 106 | S10 I14 | S10-I12 VanDerWaalsContact C-N 3.34Å; S10-I12 PolarHBondContact O-N 3.5Å; I12-I14 PolarHBondContact O-N 3.31Å |
| 13 | P | 48 | Very low | 51.3 | Low | 123 Ų | 123 | 136.9 Ų | 136.9 | 80% | 0.799 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 134.3 | -178.9 | 24.4 | -31.6 | 0 | 0 | 0 | 111.1 | ||
| 14 | I | 56.2 | Low | 52.7 | Low | 152 Ų | 152 | 132.3 Ų | 132.3 | 78% | 0.779 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -92.8 | 126.2 | -178.7 | -58 | 170.3 | 0 | 0 | 0 | 108.4 | I12 | I12-I14 PolarHBondContact O-N 3.31Š|
| 15 | D | 57.7 | Low | 54.3 | Low | 62 Ų | 62 | 127.1 Ų | 127.1 | 33% | 0.332 | 69% | 0.691 | S | S | . | * | P | Polyproline II helix | trans | -76 | 124.7 | 175.7 | 58.5 | -50.4 | 0 | 0 | 0 | 111.3 | F17 S18 I22 | D15-F17 PolarHBondContact O-N 3.3Å; D15-F17 VanDerWaalsContact O-N 3.13Å; D15-S18 WeakPolarHBondContact OD2-CB 3.41Å; D15-S18 PolarHBondContact OD2-OG 3.35Å; D15-I22 WeakPolarHBondContact OD2-CD1 3.3Å |
| 16 | A | 53.2 | Low | 55.8 | Low | 106 Ų | 106 | 126.6 Ų | 126.6 | 88% | 0.876 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.1 | -3.3 | -172 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 17 | F | 56.5 | Low | 57.4 | Low | 209 Ų | 209 | 125.8 Ų | 125.8 | 92% | 0.917 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.6 | -20.4 | -173.4 | -150.1 | -97.1 | 0 | 0 | 0 | 113.7 | D15 | D15-F17 PolarHBondContact O-N 3.3Å; D15-F17 VanDerWaalsContact O-N 3.13Å |
| 18 | S | 57.8 | Low | 59.2 | Low | 42 Ų | 42 | 118 Ų | 118 | 29% | 0.294 | 63% | 0.633 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -113.2 | -27.7 | -164.5 | -44.7 | 0 | 0 | 0 | 0 | 116.2 | D15 M20 | D15-S18 WeakPolarHBondContact OD2-CB 3.41Å; D15-S18 PolarHBondContact OD2-OG 3.35Å; S18-M20 PolarHBondContact O-N 3.39Å |
| 19 | N | 50.9 | Low | 61 | Low | 160 Ų | 160 | 112.9 Ų | 112.9 | 86% | 0.856 | 61% | 0.605 | S | S | * | * | trans | 40.4 | 32 | -166.9 | -88.1 | -55.3 | 0 | 0 | 0 | 114.3 | ||||
| 20 | M | 53.8 | Low | 62.6 | Low | 143 Ų | 143 | 113.1 Ų | 113.1 | 70% | 0.704 | 61% | 0.605 | S | S | * | * | S | Bend | trans | -122.7 | 132.4 | 169.9 | -75.2 | -169.7 | -79.1 | 0 | 0 | 106.6 | S18 I22 | S18-M20 PolarHBondContact O-N 3.39Å; M20-I22 VanDerWaalsContact C-N 3.35Å; M20-I22 WeakPolarHBondContact O-CG1 3.47Å; M20-I22 PolarHBondContact O-N 3.19Å |
| 21 | R | 46.3 | Very low | 64.1 | Low | 220 Ų | 220 | 111.9 Ų | 111.9 | 83% | 0.83 | 60% | 0.596 | S | S | * | * | trans | -61.9 | 94.7 | 174.1 | -171.4 | -171.7 | -59.1 | -98.8 | 0.1 | 108.2 | T23 | R21-T23 HydrophobicContact CG-CG2 4.08Å; R21-T23 PolarHBondContact O-N 3.35Å | ||
| 22 | I | 46.8 | Very low | 65.8 | Low | 77 Ų | 77 | 106.3 Ų | 106.3 | 40% | 0.395 | 56% | 0.557 | S | S | . | * | trans | -79.2 | 64 | 173.7 | -51.5 | -174 | 0 | 0 | 0 | 108.8 | D15 M20 S24 T27 | D15-I22 WeakPolarHBondContact OD2-CD1 3.3Å; M20-I22 VanDerWaalsContact C-N 3.35Å; M20-I22 WeakPolarHBondContact O-CG1 3.47Å; M20-I22 PolarHBondContact O-N 3.19Å; I22-S24 PolarHBondContact O-N 3.07Å; I22-T27 WeakPolarHBondContact CG2-OG1 3.5Å | ||
| 23 | T | 55.4 | Low | 67.4 | Low | 104 Ų | 104 | 105.1 Ų | 105.1 | 64% | 0.638 | 55% | 0.549 | S | S | * | . | trans | -78.4 | 55.4 | 146.5 | 47.6 | 0 | 0 | 0 | 0 | 107.8 | R21 | R21-T23 HydrophobicContact CG-CG2 4.08Å; R21-T23 PolarHBondContact O-N 3.35Å | ||
| 24 | S | 70.3 | Confident | 69.3 | Low | 45 Ų | 45 | 104.6 Ų | 104.6 | 32% | 0.315 | 53% | 0.531 | S | S | . | . | trans | -84.4 | 140.7 | -170.8 | -177.8 | 0 | 0 | 0 | 0 | 110.6 | I22 W26 T27 F28 | I22-S24 PolarHBondContact O-N 3.07Å; S24-W26 PolarHBondContact O-N 3.45Å; S24-W26 PolarHBondContact OG-N 2.96Å; S24-T27 WeakPolarHBondContact O-CA 3.45Å; S24-T27 WeakPolarHBondContact O-CB 3.42Å; S24-T27 PolarHBondContact O-N 3.47Å; S24-F28 PolarHBondContact O-N 3.14Å; S24-F28 VanDerWaalsContact O-N 3.15Å | ||
| 25 | I | 80 | Confident | 70.8 | Confident | 96 Ų | 96 | 101.6 Ų | 101.6 | 49% | 0.492 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -46.7 | -35.6 | 169.7 | -69.1 | 164.7 | 0 | 0 | 0 | 110.5 | F28 L29 L106 | I25-F28 WeakPolarHBondContact O-CB 3.42Å; I25-F28 PolarHBondContact O-N 3.09Å; I25-L29 HydrophobicContact CG2-CD1 3.99Å; I25-L29 HydrophobicContact CG2-CG 4.33Å; I25-L29 VanDerWaalsContact O-CG 3.32Å; I25-L29 WeakPolarHBondContact O-CG 3.24Å; I25-L29 PolarHBondContact O-N 3.44Å; I25-L106 HydrophobicContact CD1-CD2 4.41Å; I25-L106 HydrophobicContact CG2-CD1 3.76Å; I25-L106 HydrophobicContact CG2-CD2 3.77Å; I25-L106 HydrophobicContact CG2-CG 4.42Å |
| 26 | W | 80.1 | Confident | 72.3 | Confident | 185 Ų | 185 | 99.3 Ų | 99.3 | 70% | 0.701 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.4 | -44.2 | 174.7 | -85.2 | 116.2 | 0 | 0 | 0 | 114 | S24 F28 L29 M30 | S24-W26 PolarHBondContact O-N 3.45Å; S24-W26 PolarHBondContact OG-N 2.96Å; W26-F28 VanDerWaalsContact C-N 3.28Å; W26-F28 PolarHBondContact O-N 3.43Å; W26-L29 PolarHBondContact O-N 3.14Å; W26-M30 WeakPolarHBondContact O-CB 3.27Å; W26-M30 WeakPolarHBondContact O-CG 3.33Å; W26-M30 PolarHBondContact O-N 3.37Å |
| 27 | T | 82.1 | Confident | 74.1 | Confident | 77 Ų | 77 | 99.5 Ų | 99.5 | 47% | 0.472 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.3 | -37.7 | 177.2 | -46.3 | 0 | 0 | 0 | 0 | 110.8 | I22 S24 S31 | I22-T27 WeakPolarHBondContact CG2-OG1 3.5Å; S24-T27 WeakPolarHBondContact O-CA 3.45Å; S24-T27 WeakPolarHBondContact O-CB 3.42Å; S24-T27 PolarHBondContact O-N 3.47Å; T27-S31 PolarHBondContact O-N 3.2Å; T27-S31 VanDerWaalsContact O-N 3.13Å |
| 28 | F | 84.7 | Confident | 75.7 | Confident | 46 Ų | 46 | 92.3 Ų | 92.3 | 20% | 0.202 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -65 | -46.1 | 172.8 | 174.2 | -104.2 | 0 | 0 | 0 | 112.1 | S24 I25 W26 M30 S31 I32 M102 F103 L106 | S24-F28 PolarHBondContact O-N 3.14Å; S24-F28 VanDerWaalsContact O-N 3.15Å; I25-F28 WeakPolarHBondContact O-CB 3.42Å; I25-F28 PolarHBondContact O-N 3.09Å; W26-F28 VanDerWaalsContact C-N 3.28Å; W26-F28 PolarHBondContact O-N 3.43Å; F28-M30 VanDerWaalsContact C-N 3.29Å; F28-M30 PolarHBondContact O-N 3.17Å; F28-S31 PolarHBondContact O-N 2.92Å; F28-S31 VanDerWaalsContact O-N 3.16Å; F28-S31 PolarHBondContact O-OG 2.93Å; F28-I32 HydrophobicContact CD1-CD1 4.36Å; F28-I32 HydrophobicContact CE1-CD1 3.92Å; F28-I32 HydrophobicContact CZ-CD1 4.29Å; F28-I32 WeakPolarHBondContact O-CG1 3.4Å; F28-I32 PolarHBondContact O-N 3.42Å; F28-M102 HydrophobicContact CB-CE 4.24Å; F28-M102 HydrophobicContact CD1-CE 3.76Å; F28-M102 HydrophobicContact CD2-CE 3.22Å; F28-M102 HydrophobicContact CE1-CE 3.84Å; F28-M102 HydrophobicContact CE1-CG 4.41Å; F28-M102 HydrophobicContact CE2-CE 3.32Å; F28-M102 HydrophobicContact CG-CE 3.45Å; F28-M102 VanDerWaalsContact CG-CE 3.45Å; F28-M102 HydrophobicContact CZ-CE 3.63Å; F28-F103 HydrophobicContact CE1-CB 4.41Å; F28-F103 HydrophobicContact CZ-CB 3.98Å; F28-F103 HydrophobicContact CZ-CD2 4.34Å; F28-L106 HydrophobicContact CD1-CD1 3.8Å; F28-L106 HydrophobicContact CE1-CD1 4.03Å |
| 29 | L | 85.9 | Confident | 77.4 | Confident | 37 Ų | 37 | 90.4 Ų | 90.4 | 19% | 0.194 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -64.3 | -34.8 | 178.3 | -71.1 | 173.3 | 0 | 0 | 0 | 112.7 | I25 W26 S31 I32 W34 V107 | I25-L29 HydrophobicContact CG2-CD1 3.99Å; I25-L29 HydrophobicContact CG2-CG 4.33Å; I25-L29 VanDerWaalsContact O-CG 3.32Å; I25-L29 WeakPolarHBondContact O-CG 3.24Å; I25-L29 PolarHBondContact O-N 3.44Å; W26-L29 PolarHBondContact O-N 3.14Å; L29-S31 VanDerWaalsContact C-N 3.32Å; L29-I32 HydrophobicContact CD2-CD1 3.94Å; L29-I32 PolarHBondContact O-N 3.33Å; L29-W34 HydrophobicContact CD2-CZ2 4.26Å; L29-W34 PolarHBondContact O-NE1 3.04Å; L29-V107 HydrophobicContact CD2-CG2 3.94Å |
| 30 | M | 86.1 | Confident | 79.4 | Confident | 149 Ų | 149 | 87.4 Ų | 87.4 | 73% | 0.734 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -72.2 | -24.6 | 175.8 | -74 | -64 | -62.6 | 0 | 0 | 113.2 | W26 F28 I32 | W26-M30 WeakPolarHBondContact O-CB 3.27Å; W26-M30 WeakPolarHBondContact O-CG 3.33Å; W26-M30 PolarHBondContact O-N 3.37Å; F28-M30 VanDerWaalsContact C-N 3.29Å; F28-M30 PolarHBondContact O-N 3.17Å; M30-I32 VanDerWaalsContact C-N 3.32Å |
| 31 | S | 85.8 | Confident | 81.3 | Confident | 75 Ų | 75 | 82.9 Ų | 82.9 | 52% | 0.524 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -80.3 | -14.7 | 177 | 73.8 | 0 | 0 | 0 | 0 | 113.2 | T27 F28 L29 | T27-S31 PolarHBondContact O-N 3.2Å; T27-S31 VanDerWaalsContact O-N 3.13Å; F28-S31 PolarHBondContact O-N 2.92Å; F28-S31 VanDerWaalsContact O-N 3.16Å; F28-S31 PolarHBondContact O-OG 2.93Å; L29-S31 VanDerWaalsContact C-N 3.32Å |
| 32 | I | 88.3 | Confident | 83.5 | Confident | 6 Ų | 6 | 73.7 Ų | 73.7 | 3% | 0.031 | 40% | 0.397 | C | S | . | . | S | Bend | trans | -67.9 | 134.5 | 175.8 | -64.2 | 167.4 | 0 | 0 | 0 | 110.2 | F28 L29 M30 W34 L39 Y96 F103 V107 | F28-I32 HydrophobicContact CD1-CD1 4.36Å; F28-I32 HydrophobicContact CE1-CD1 3.92Å; F28-I32 HydrophobicContact CZ-CD1 4.29Å; F28-I32 WeakPolarHBondContact O-CG1 3.4Å; F28-I32 PolarHBondContact O-N 3.42Å; L29-I32 HydrophobicContact CD2-CD1 3.94Å; L29-I32 PolarHBondContact O-N 3.33Å; M30-I32 VanDerWaalsContact C-N 3.32Å; I32-W34 HydrophobicContact CB-CZ2 4.14Å; I32-W34 HydrophobicContact CD1-CH2 4.42Å; I32-W34 HydrophobicContact CD1-CZ2 4.03Å; I32-W34 HydrophobicContact CG2-CD2 4.04Å; I32-W34 HydrophobicContact CG2-CE3 4.41Å; I32-W34 HydrophobicContact CG2-CG 4.46Å; I32-W34 HydrophobicContact CG2-CH2 4.48Å; I32-W34 HydrophobicContact CG2-CZ2 4.11Å; I32-W34 PolarHBondContact O-N 3.31Å; I32-W34 VanDerWaalsContact O-N 3.13Å; I32-W34 PolarHBondContact O-NE1 2.98Å; I32-L39 HydrophobicContact CG2-CD1 3.68Å; I32-Y96 HydrophobicContact CB-CE1 4.31Å; I32-Y96 HydrophobicContact CG1-CD1 4.29Å; I32-Y96 HydrophobicContact CG1-CE1 4.22Å; I32-Y96 HydrophobicContact CG2-CD1 4.49Å; I32-Y96 HydrophobicContact CG2-CE1 4Å; I32-F103 HydrophobicContact CD1-CD2 3.82Å; I32-F103 HydrophobicContact CD1-CE2 3.9Å; I32-F103 HydrophobicContact CG1-CD2 4.47Å; I32-F103 HydrophobicContact CG2-CE2 4.42Å; I32-V107 HydrophobicContact CD1-CG2 4Å |
| 33 | Q | 88.5 | Confident | 85.7 | Confident | 94 Ų | 94 | 75.4 Ų | 75.4 | 44% | 0.439 | 41% | 0.406 | S | S | . | . | trans | -86.7 | 81.9 | 179.2 | -62.4 | -69.7 | -27.9 | 0 | 0 | 110.1 | S35 E36 L39 F94 Y96 | Q33-S35 PolarHBondContact O-N 2.95Å; Q33-E36 HydrophobicContact CB-CG 4.46Å; Q33-E36 PolarHBondContact O-N 2.83Å; Q33-E36 VanDerWaalsContact O-N 3.15Å; Q33-L39 VanDerWaalsContact O-CD1 3.27Å; Q33-L39 WeakPolarHBondContact O-CD1 3.27Å; Q33-F94 HydrophobicContact CB-CE2 4.4Å; Q33-F94 HydrophobicContact CG-CD2 4.1Å; Q33-F94 HydrophobicContact CG-CE2 3.74Å; Q33-F94 HydrophobicContact CG-CZ 4.37Å; Q33-Y96 WeakPolarHBondContact CB-OH 3.28Å; Q33-Y96 PolarHBondContact N-OH 3.3Å | ||
| 34 | W | 88 | Confident | 87.6 | Confident | 111 Ų | 111 | 72.1 Ų | 72.1 | 42% | 0.42 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -9.5 | -177.3 | -60.6 | 98.2 | 0 | 0 | 0 | 115.5 | L29 I32 E36 I40 V107 | L29-W34 HydrophobicContact CD2-CZ2 4.26Å; L29-W34 PolarHBondContact O-NE1 3.04Å; I32-W34 HydrophobicContact CB-CZ2 4.14Å; I32-W34 HydrophobicContact CD1-CH2 4.42Å; I32-W34 HydrophobicContact CD1-CZ2 4.03Å; I32-W34 HydrophobicContact CG2-CD2 4.04Å; I32-W34 HydrophobicContact CG2-CE3 4.41Å; I32-W34 HydrophobicContact CG2-CG 4.46Å; I32-W34 HydrophobicContact CG2-CH2 4.48Å; I32-W34 HydrophobicContact CG2-CZ2 4.11Å; I32-W34 PolarHBondContact O-N 3.31Å; I32-W34 VanDerWaalsContact O-N 3.13Å; I32-W34 PolarHBondContact O-NE1 2.98Å; W34-E36 VanDerWaalsContact C-N 3.26Å; W34-E36 PolarHBondContact O-N 3.36Å; W34-I40 WeakPolarHBondContact O-CG1 3.5Å; W34-V107 HydrophobicContact CH2-CG1 3.99Å; W34-V107 HydrophobicContact CH2-CG2 4.13Å; W34-V107 HydrophobicContact CZ3-CG1 4.08Å |
| 35 | S | 88.8 | Confident | 88.8 | Confident | 90 Ų | 90 | 73 Ų | 73 | 63% | 0.629 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | -9.4 | 175.6 | 58.2 | 0 | 0 | 0 | 0 | 113.8 | Q33 | Q33-S35 PolarHBondContact O-N 2.95Š|
| 36 | E | 88.9 | Confident | 89.5 | Confident | 13 Ų | 13 | 69 Ų | 69 | 6% | 0.061 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -67.6 | 131 | 177.6 | -64.5 | -157.1 | 126 | 0 | 0 | 111.6 | Q33 W34 W38 L39 I40 K93 Y96 | Q33-E36 HydrophobicContact CB-CG 4.46Å; Q33-E36 PolarHBondContact O-N 2.83Å; Q33-E36 VanDerWaalsContact O-N 3.15Å; W34-E36 VanDerWaalsContact C-N 3.26Å; W34-E36 PolarHBondContact O-N 3.36Å; E36-W38 VanDerWaalsContact C-N 3.26Å; E36-W38 PolarHBondContact O-N 2.85Å; E36-W38 VanDerWaalsContact O-N 3.14Å; E36-W38 PolarHBondContact OE2-NE1 3.19Å; E36-L39 HydrophobicContact CB-CD1 4.16Å; E36-L39 HydrophobicContact CB-CG 4.4Å; E36-L39 WeakPolarHBondContact O-CB 3.41Å; E36-L39 PolarHBondContact O-N 3.35Å; E36-I40 PolarHBondContact O-N 3.34Å; E36-I40 VanDerWaalsContact O-N 3.15Å; E36-K93 VanDerWaalsContact OE1-CB 3.28Å; E36-K93 WeakPolarHBondContact OE1-CB 3.44Å; E36-K93 WeakPolarHBondContact OE1-CG 3.31Å; E36-K93 PolarHBondContact OE1-N 3.37Å; E36-Y96 VanDerWaalsContact OE2-CE2 3.23Å; E36-Y96 WeakPolarHBondContact OE2-CE2 3.44Å |
| 37 | P | 91.4 | Very high | 90.2 | Very high | 111 Ų | 111 | 63 Ų | 63 | 72% | 0.721 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -56.5 | -35.6 | -174 | -28.2 | 34.8 | 0 | 0 | 0 | 114.7 | I40 G41 | P37-I40 PolarHBondContact O-N 2.87Å; P37-G41 PolarHBondContact O-N 3.45Å |
| 38 | W | 90.4 | Very high | 90.7 | Very high | 58 Ų | 58 | 63.8 Ų | 63.8 | 22% | 0.22 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -70.8 | -33.3 | 179.8 | 73.3 | -89.7 | 0 | 0 | 0 | 112.3 | E36 G41 L42 F91 Y96 F97 F103 | E36-W38 VanDerWaalsContact C-N 3.26Å; E36-W38 PolarHBondContact O-N 2.85Å; E36-W38 VanDerWaalsContact O-N 3.14Å; E36-W38 PolarHBondContact OE2-NE1 3.19Å; W38-G41 PolarHBondContact O-N 3.49Å; W38-L42 HydrophobicContact CZ3-CD2 4.48Å; W38-L42 PolarHBondContact O-N 2.73Å; W38-F91 VanDerWaalsContact CD1-O 3.23Å; W38-F91 HydrophobicContact CD2-CD2 4.03Å; W38-F91 HydrophobicContact CD2-CE2 4.22Å; W38-F91 HydrophobicContact CE3-CE2 4.44Å; W38-F91 HydrophobicContact CG-CD2 4.1Å; W38-F91 HydrophobicContact CH2-CE2 4.45Å; W38-F91 HydrophobicContact CZ2-CE2 4.27Å; W38-Y96 HydrophobicContact CH2-CD2 4.18Å; W38-Y96 AromaticContact CZ2-CD2 3.55Å; W38-Y96 HydrophobicContact CZ2-CD2 3.55Å; W38-Y96 AromaticContact CZ2-CE2 3.86Å; W38-Y96 HydrophobicContact CZ2-CE2 3.86Å; W38-Y96 HydrophobicContact CZ2-CG 4.43Å; W38-F97 AromaticContact CH2-CE2 3.91Å; W38-F97 HydrophobicContact CH2-CE2 3.91Å; W38-F97 AromaticContact CH2-CZ 3.74Å; W38-F97 HydrophobicContact CH2-CZ 3.74Å; W38-F97 HydrophobicContact CZ2-CE2 4.47Å; W38-F97 HydrophobicContact CZ3-CE2 4.43Å; W38-F97 AromaticContact CZ3-CZ 3.93Å; W38-F97 HydrophobicContact CZ3-CZ 3.93Å; W38-F103 AromaticContact CH2-CE1 3.67Å; W38-F103 HydrophobicContact CH2-CE1 3.67Å; W38-F103 HydrophobicContact CH2-CE2 4.46Å; W38-F103 AromaticContact CH2-CZ 3.51Å; W38-F103 HydrophobicContact CH2-CZ 3.51Å; W38-F103 HydrophobicContact CZ3-CE1 4.07Å; W38-F103 HydrophobicContact CZ3-CZ 4.03Å |
| 39 | L | 92.4 | Very high | 91.1 | Very high | 2 Ų | 2 | 61.9 Ų | 61.9 | 1% | 0.01 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -68.6 | -39.1 | 173.3 | -74.8 | 173.2 | 0 | 0 | 0 | 111.4 | I32 Q33 E36 G41 L42 L43 F103 | I32-L39 HydrophobicContact CG2-CD1 3.68Å; Q33-L39 VanDerWaalsContact O-CD1 3.27Å; Q33-L39 WeakPolarHBondContact O-CD1 3.27Å; E36-L39 HydrophobicContact CB-CD1 4.16Å; E36-L39 HydrophobicContact CB-CG 4.4Å; E36-L39 WeakPolarHBondContact O-CB 3.41Å; E36-L39 PolarHBondContact O-N 3.35Å; L39-G41 VanDerWaalsContact C-N 3.3Å; L39-L42 HydrophobicContact CD2-CD2 4.43Å; L39-L42 WeakPolarHBondContact O-CB 3.5Å; L39-L42 PolarHBondContact O-N 3.26Å; L39-L43 PolarHBondContact O-N 2.85Å; L39-F103 HydrophobicContact CD2-CE2 3.98Å; L39-F103 HydrophobicContact CD2-CZ 3.53Å |
| 40 | I | 92.7 | Very high | 91.3 | Very high | 97 Ų | 97 | 64 Ų | 64 | 50% | 0.497 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62.8 | -42.4 | 173.2 | -61.2 | 168.5 | 0 | 0 | 0 | 109.8 | W34 E36 P37 L42 L43 G44 | W34-I40 WeakPolarHBondContact O-CG1 3.5Å; E36-I40 PolarHBondContact O-N 3.34Å; E36-I40 VanDerWaalsContact O-N 3.15Å; P37-I40 PolarHBondContact O-N 2.87Å; I40-L42 VanDerWaalsContact C-N 3.31Å; I40-L42 PolarHBondContact O-N 3.42Å; I40-L43 PolarHBondContact O-N 3.42Å; I40-G44 PolarHBondContact O-N 3.44Å |
| 41 | G | 93.9 | Very high | 91.6 | Very high | 47 Ų | 47 | 61.4 Ų | 61.4 | 49% | 0.485 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -57.6 | -42.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | P37 W38 L39 G44 F45 | P37-G41 PolarHBondContact O-N 3.45Å; W38-G41 PolarHBondContact O-N 3.49Å; L39-G41 VanDerWaalsContact C-N 3.3Å; G41-G44 PolarHBondContact O-N 2.94Å; G41-F45 WeakPolarHBondContact O-CB 3.37Å; G41-F45 PolarHBondContact O-N 2.98Å |
| 42 | L | 93.7 | Very high | 91.8 | Very high | 28 Ų | 28 | 59.3 Ų | 59.3 | 15% | 0.147 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63.5 | -44 | 176 | 177.8 | 61.3 | 0 | 0 | 0 | 112.3 | W38 L39 I40 G44 F45 H46 V107 Y108 | W38-L42 HydrophobicContact CZ3-CD2 4.48Å; W38-L42 PolarHBondContact O-N 2.73Å; L39-L42 HydrophobicContact CD2-CD2 4.43Å; L39-L42 WeakPolarHBondContact O-CB 3.5Å; L39-L42 PolarHBondContact O-N 3.26Å; I40-L42 VanDerWaalsContact C-N 3.31Å; I40-L42 PolarHBondContact O-N 3.42Å; L42-G44 VanDerWaalsContact C-N 3.34Å; L42-G44 PolarHBondContact O-N 3.07Å; L42-F45 HydrophobicContact CD1-CD1 4.18Å; L42-F45 WeakPolarHBondContact O-CB 3.28Å; L42-F45 PolarHBondContact O-N 3.22Å; L42-H46 WeakPolarHBondContact CD1-NE2 3.41Å; L42-H46 PolarHBondContact O-CD2 3.22Å; L42-H46 PolarHBondContact O-N 2.94Å; L42-V107 HydrophobicContact CD2-CG1 3.73Å; L42-Y108 HydrophobicContact CD1-CD2 3.86Å |
| 43 | L | 93.3 | Very high | 91.8 | Very high | 113 Ų | 113 | 59.1 Ų | 59.1 | 59% | 0.592 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -63.4 | -41.6 | 175.1 | -175.2 | 62.5 | 0 | 0 | 0 | 111.5 | L39 I40 F45 H46 A47 | L39-L43 PolarHBondContact O-N 2.85Å; I40-L43 PolarHBondContact O-N 3.42Å; L43-F45 VanDerWaalsContact C-N 3.34Å; L43-F45 PolarHBondContact O-N 2.78Å; L43-H46 PolarHBondContact O-N 2.75Å; L43-A47 PolarHBondContact O-N 3.05Å |
| 44 | G | 95.1 | Very high | 91.8 | Very high | 35 Ų | 35 | 58.7 Ų | 58.7 | 36% | 0.361 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -59.7 | -43 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | I40 G41 L42 H46 A47 V48 | I40-G44 PolarHBondContact O-N 3.44Å; G41-G44 PolarHBondContact O-N 2.94Å; L42-G44 VanDerWaalsContact C-N 3.34Å; L42-G44 PolarHBondContact O-N 3.07Å; G44-H46 PolarHBondContact O-N 2.93Å; G44-A47 WeakPolarHBondContact O-CB 3.17Å; G44-A47 PolarHBondContact O-N 3.13Å; G44-V48 WeakPolarHBondContact O-CG2 3.3Å; G44-V48 PolarHBondContact O-N 3.01Å |
| 45 | F | 95.1 | Very high | 91.8 | Very high | 63 Ų | 63 | 59.1 Ų | 59.1 | 28% | 0.276 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -57.4 | -46.4 | 173.3 | 164.5 | -101.9 | 0 | 0 | 0 | 111.6 | G41 L42 L43 A47 V48 C49 M73 Y108 L112 | G41-F45 WeakPolarHBondContact O-CB 3.37Å; G41-F45 PolarHBondContact O-N 2.98Å; L42-F45 HydrophobicContact CD1-CD1 4.18Å; L42-F45 WeakPolarHBondContact O-CB 3.28Å; L42-F45 PolarHBondContact O-N 3.22Å; L43-F45 VanDerWaalsContact C-N 3.34Å; L43-F45 PolarHBondContact O-N 2.78Å; F45-A47 PolarHBondContact O-N 2.88Å; F45-V48 PolarHBondContact O-N 3.33Å; F45-C49 VanDerWaalsContact CE2-SG 3.51Å; F45-C49 WeakPolarHBondContact CZ-SG 3.45Å; F45-C49 PolarHBondContact O-N 2.93Å; F45-C49 PolarHBondContact O-SG 2.89Å; F45-M73 HydrophobicContact CE2-CE 4.3Å; F45-M73 HydrophobicContact CE2-SD 4.35Å; F45-M73 HydrophobicContact CZ-CE 4.2Å; F45-M73 HydrophobicContact CZ-SD 3.69Å; F45-Y108 HydrophobicContact CE1-CE2 4.17Å; F45-L112 HydrophobicContact CE1-CD1 4.5Å; F45-L112 HydrophobicContact CE1-CD2 3.79Å; F45-L112 HydrophobicContact CZ-CD2 4.09Å |
| 46 | H | 94.3 | Very high | 91.7 | Very high | 13 Ų | 13 | 55.7 Ų | 55.7 | 6% | 0.06 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62.6 | -39.5 | 175.6 | -68.6 | -56.9 | 0 | 0 | 0 | 113 | L42 L43 G44 V48 C49 L50 V107 Y108 | L42-H46 WeakPolarHBondContact CD1-NE2 3.41Å; L42-H46 PolarHBondContact O-CD2 3.22Å; L42-H46 PolarHBondContact O-N 2.94Å; L43-H46 PolarHBondContact O-N 2.75Å; G44-H46 PolarHBondContact O-N 2.93Å; H46-V48 VanDerWaalsContact C-N 3.34Å; H46-V48 PolarHBondContact O-N 3.35Å; H46-C49 WeakPolarHBondContact O-CB 3.16Å; H46-C49 PolarHBondContact O-N 3.37Å; H46-L50 PolarHBondContact O-N 3.23Å; H46-V107 PolarHBondContact NE2-O 3.4Å; H46-Y108 PolarHBondContact CE1-O 3.42Å |
| 47 | A | 93.9 | Very high | 91.2 | Very high | 58 Ų | 58 | 60.8 Ų | 60.8 | 48% | 0.479 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.5 | -41.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L43 G44 F45 L50 L51 | L43-A47 PolarHBondContact O-N 3.05Å; G44-A47 WeakPolarHBondContact O-CB 3.17Å; G44-A47 PolarHBondContact O-N 3.13Å; F45-A47 PolarHBondContact O-N 2.88Å; A47-L50 PolarHBondContact O-N 3.43Å; A47-L51 VanDerWaalsContact O-CB 3.32Å; A47-L51 WeakPolarHBondContact O-CB 3.4Å; A47-L51 PolarHBondContact O-N 2.88Å |
| 48 | V | 93.7 | Very high | 90.5 | Very high | 94 Ų | 94 | 66.2 Ų | 66.2 | 57% | 0.57 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -64.2 | -40.9 | 174.2 | 171.7 | 0 | 0 | 0 | 0 | 111 | G44 F45 H46 L51 A52 | G44-V48 WeakPolarHBondContact O-CG2 3.3Å; G44-V48 PolarHBondContact O-N 3.01Å; F45-V48 PolarHBondContact O-N 3.33Å; H46-V48 VanDerWaalsContact C-N 3.34Å; H46-V48 PolarHBondContact O-N 3.35Å; V48-L51 PolarHBondContact O-N 2.98Å; V48-A52 WeakPolarHBondContact O-CB 3.39Å; V48-A52 PolarHBondContact O-N 3.41Å |
| 49 | C | 91.9 | Very high | 90.3 | Very high | 6 Ų | 6 | 69.9 Ų | 69.9 | 4% | 0.041 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -61.8 | -44.3 | 176.3 | -67 | 0 | 0 | 0 | 0 | 112 | F45 H46 T53 Q66 M70 | F45-C49 VanDerWaalsContact CE2-SG 3.51Å; F45-C49 WeakPolarHBondContact CZ-SG 3.45Å; F45-C49 PolarHBondContact O-N 2.93Å; F45-C49 PolarHBondContact O-SG 2.89Å; H46-C49 WeakPolarHBondContact O-CB 3.16Å; H46-C49 PolarHBondContact O-N 3.37Å; C49-T53 WeakPolarHBondContact O-CB 3.44Å; C49-T53 PolarHBondContact O-N 2.96Å; C49-T53 PolarHBondContact O-OG1 3.2Å; C49-Q66 PolarHBondContact O-NE2 3.5Å; C49-M70 HydrophobicContact CB-CE 3.59Å; C49-M70 WeakPolarHBondContact SG-CE 3.35Å |
| 50 | L | 91 | Very high | 89.9 | Confident | 82 Ų | 82 | 77 Ų | 77 | 43% | 0.429 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -62.4 | -50.6 | 174.4 | -80.4 | 163.2 | 0 | 0 | 0 | 110.5 | H46 A47 A52 T53 L54 N115 | H46-L50 PolarHBondContact O-N 3.23Å; A47-L50 PolarHBondContact O-N 3.43Å; L50-A52 VanDerWaalsContact C-N 3.35Å; L50-A52 PolarHBondContact O-N 2.85Å; L50-T53 WeakPolarHBondContact O-CA 3.24Å; L50-T53 VanDerWaalsContact O-CB 3.3Å; L50-T53 WeakPolarHBondContact O-CB 3.32Å; L50-T53 PolarHBondContact O-N 3.29Å; L50-L54 WeakPolarHBondContact O-CG 3.3Å; L50-L54 PolarHBondContact O-N 2.92Å; L50-N115 WeakPolarHBondContact CD2-OD1 3.44Å; L50-N115 WeakPolarHBondContact CG-OD1 3.33Å |
| 51 | L | 91.9 | Very high | 89.6 | Confident | 93 Ų | 93 | 82.4 Ų | 82.4 | 49% | 0.487 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -60.4 | -44.7 | 179.6 | -177.2 | 61.6 | 0 | 0 | 0 | 111.6 | A47 V48 T53 L54 L55 | A47-L51 VanDerWaalsContact O-CB 3.32Å; A47-L51 WeakPolarHBondContact O-CB 3.4Å; A47-L51 PolarHBondContact O-N 2.88Å; V48-L51 PolarHBondContact O-N 2.98Å; L51-T53 VanDerWaalsContact C-N 3.29Å; L51-T53 PolarHBondContact O-N 3.46Å; L51-L54 WeakPolarHBondContact O-CB 3.27Å; L51-L54 PolarHBondContact O-N 3.18Å; L51-L54 VanDerWaalsContact O-N 3.08Å; L51-L55 HydrophobicContact CD1-CD1 4.08Å; L51-L55 HydrophobicContact CD1-CD2 4.49Å; L51-L55 HydrophobicContact CD1-CG 4.04Å; L51-L55 HydrophobicContact CD2-CD1 4.42Å; L51-L55 HydrophobicContact CG-CD1 3.85Å; L51-L55 HydrophobicContact CG-CG 4.22Å; L51-L55 WeakPolarHBondContact O-CB 3.48Å; L51-L55 VanDerWaalsContact O-CG 3.3Å; L51-L55 WeakPolarHBondContact O-CG 3.43Å; L51-L55 PolarHBondContact O-N 3.39Å |
| 52 | A | 89.6 | Confident | 89.4 | Confident | 31 Ų | 31 | 83.8 Ų | 83.8 | 26% | 0.256 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -57.1 | -44.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | V48 L50 L54 L55 T56 | V48-A52 WeakPolarHBondContact O-CB 3.39Å; V48-A52 PolarHBondContact O-N 3.41Å; L50-A52 VanDerWaalsContact C-N 3.35Å; L50-A52 PolarHBondContact O-N 2.85Å; A52-L54 VanDerWaalsContact C-N 3.3Å; A52-L54 PolarHBondContact O-N 3.12Å; A52-L55 PolarHBondContact O-N 2.98Å; A52-T56 VanDerWaalsContact O-CB 3.3Å; A52-T56 WeakPolarHBondContact O-CB 3.23Å; A52-T56 WeakPolarHBondContact O-CG2 3.34Å; A52-T56 PolarHBondContact O-N 3.37Å; A52-T56 PolarHBondContact O-OG1 2.88Å |
| 53 | T | 89.3 | Confident | 89.3 | Confident | 3 Ų | 3 | 82.9 Ų | 82.9 | 2% | 0.018 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -60.1 | -38.8 | 175.2 | -56 | 0 | 0 | 0 | 0 | 112.1 | C49 L50 L51 R57 Q66 I118 I119 | C49-T53 WeakPolarHBondContact O-CB 3.44Å; C49-T53 PolarHBondContact O-N 2.96Å; C49-T53 PolarHBondContact O-OG1 3.2Å; L50-T53 WeakPolarHBondContact O-CA 3.24Å; L50-T53 VanDerWaalsContact O-CB 3.3Å; L50-T53 WeakPolarHBondContact O-CB 3.32Å; L50-T53 PolarHBondContact O-N 3.29Å; L51-T53 VanDerWaalsContact C-N 3.29Å; L51-T53 PolarHBondContact O-N 3.46Å; T53-R57 WeakPolarHBondContact O-CG 3.3Å; T53-Q66 PolarHBondContact OG1-NE2 2.98Å; T53-I118 HydrophobicContact CG2-CG2 4.48Å; T53-I119 HydrophobicContact CG2-CD1 4.17Å; T53-I119 HydrophobicContact CG2-CG1 3.65Å |
| 54 | L | 87.9 | Confident | 89.1 | Confident | 85 Ų | 85 | 79.8 Ų | 79.8 | 45% | 0.445 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -71.1 | -43.2 | 178.5 | -64.1 | 179.8 | 0 | 0 | 0 | 112.3 | L50 L51 A52 R57 | L50-L54 WeakPolarHBondContact O-CG 3.3Å; L50-L54 PolarHBondContact O-N 2.92Å; L51-L54 WeakPolarHBondContact O-CB 3.27Å; L51-L54 PolarHBondContact O-N 3.18Å; L51-L54 VanDerWaalsContact O-N 3.08Å; A52-L54 VanDerWaalsContact C-N 3.3Å; A52-L54 PolarHBondContact O-N 3.12Å; L54-R57 WeakPolarHBondContact O-CD 3.48Å; L54-R57 VanDerWaalsContact O-CG 3.23Å; L54-R57 WeakPolarHBondContact O-CG 3.38Å |
| 55 | L | 88.3 | Confident | 89 | Confident | 120 Ų | 120 | 81.8 Ų | 81.8 | 63% | 0.628 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -73.2 | -36 | -178.1 | -66.5 | 177.5 | 0 | 0 | 0 | 112 | L51 A52 R57 | L51-L55 HydrophobicContact CD1-CD1 4.08Å; L51-L55 HydrophobicContact CD1-CD2 4.49Å; L51-L55 HydrophobicContact CD1-CG 4.04Å; L51-L55 HydrophobicContact CD2-CD1 4.42Å; L51-L55 HydrophobicContact CG-CD1 3.85Å; L51-L55 HydrophobicContact CG-CG 4.22Å; L51-L55 WeakPolarHBondContact O-CB 3.48Å; L51-L55 VanDerWaalsContact O-CG 3.3Å; L51-L55 WeakPolarHBondContact O-CG 3.43Å; L51-L55 PolarHBondContact O-N 3.39Å; A52-L55 PolarHBondContact O-N 2.98Å; L55-R57 VanDerWaalsContact C-N 3.25Å; L55-R57 PolarHBondContact O-N 2.86Å |
| 56 | T | 86.1 | Confident | 88.8 | Confident | 18 Ų | 18 | 79.8 Ų | 79.8 | 11% | 0.11 | 39% | 0.389 | C | S | . | . | G | 310 helix | trans | -81.1 | 1.7 | -178 | 63.5 | 0 | 0 | 0 | 0 | 113.8 | A52 R58 F59 V62 Q66 | A52-T56 VanDerWaalsContact O-CB 3.3Å; A52-T56 WeakPolarHBondContact O-CB 3.23Å; A52-T56 WeakPolarHBondContact O-CG2 3.34Å; A52-T56 PolarHBondContact O-N 3.37Å; A52-T56 PolarHBondContact O-OG1 2.88Å; T56-R58 PolarHBondContact O-N 2.77Å; T56-F59 CarbonylContact O-C 3.57Å; T56-F59 PolarHBondContact O-N 3.41Å; T56-V62 HydrophobicContact CG2-CB 4.2Å; T56-V62 HydrophobicContact CG2-CG1 3.49Å; T56-V62 VanDerWaalsContact CG2-CG1 3.49Å; T56-Q66 PolarHBondContact OG1-OE1 2.73Å |
| 57 | R | 78.6 | Confident | 88.8 | Confident | 120 Ų | 120 | 81.5 Ų | 81.5 | 45% | 0.453 | 40% | 0.396 | S | S | . | . | G | 310 helix | trans | -52.6 | -22.7 | 177.6 | -74.2 | -178.3 | 176.5 | -176.9 | -3.3 | 115.2 | T53 L54 L55 L122 | T53-R57 WeakPolarHBondContact O-CG 3.3Å; L54-R57 WeakPolarHBondContact O-CD 3.48Å; L54-R57 VanDerWaalsContact O-CG 3.23Å; L54-R57 WeakPolarHBondContact O-CG 3.38Å; L55-R57 VanDerWaalsContact C-N 3.25Å; L55-R57 PolarHBondContact O-N 2.86Å; R57-L122 HydrophobicContact CG-CD1 4.24Å |
| 58 | R | 78.5 | Confident | 88.8 | Confident | 225 Ų | 225 | 83.9 Ų | 83.9 | 85% | 0.849 | 40% | 0.401 | S | S | * | . | G | 310 helix | trans | -90.6 | -22.7 | 176 | -69.7 | -172.5 | 177.9 | 167 | 0.2 | 113.4 | T56 | T56-R58 PolarHBondContact O-N 2.77Š|
| 59 | F | 85.3 | Confident | 88.8 | Confident | 135 Ų | 135 | 82.5 Ų | 82.5 | 59% | 0.592 | 39% | 0.392 | S | S | * | . | trans | -110.5 | 83.5 | -171.9 | -61.7 | -74.2 | 0 | 0 | 0 | 111.5 | T56 R61 V62 Q63 | T56-F59 CarbonylContact O-C 3.57Å; T56-F59 PolarHBondContact O-N 3.41Å; F59-R61 VanDerWaalsContact C-N 3.26Å; F59-R61 PolarHBondContact O-N 2.87Å; F59-R61 VanDerWaalsContact O-N 3.13Å; F59-V62 HydrophobicContact CB-CB 4.13Å; F59-V62 HydrophobicContact CB-CG2 3.97Å; F59-V62 PolarHBondContact O-N 2.95Å; F59-Q63 PolarHBondContact O-N 3.07Å; F59-Q63 VanDerWaalsContact O-N 3.07Å | ||
| 60 | Y | 83.3 | Confident | 88.9 | Confident | 151 Ų | 151 | 82.7 Ų | 82.7 | 59% | 0.592 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -47.4 | -43.5 | -179.9 | 153 | -101.9 | 0 | 0 | 0 | 114 | V62 Q63 I64 | Y60-V62 PolarHBondContact O-N 3.39Å; Y60-Q63 WeakPolarHBondContact O-CB 3.44Å; Y60-Q63 PolarHBondContact O-N 3.37Å; Y60-I64 HydrophobicContact CD1-CD1 4.18Å; Y60-I64 HydrophobicContact CD2-CD1 3.91Å; Y60-I64 HydrophobicContact CD2-CG1 4.14Å; Y60-I64 HydrophobicContact CE1-CD1 3.58Å; Y60-I64 HydrophobicContact CE2-CD1 3.26Å; Y60-I64 HydrophobicContact CE2-CG1 3.76Å; Y60-I64 HydrophobicContact CG-CD1 4.34Å; Y60-I64 WeakPolarHBondContact O-CG1 3.46Å; Y60-I64 PolarHBondContact O-N 3.35Å; Y60-I64 VanDerWaalsContact OH-CD1 3.28Å; Y60-I64 WeakPolarHBondContact OH-CD1 3.42Å |
| 61 | R | 87.4 | Confident | 89.1 | Confident | 211 Ų | 211 | 82 Ų | 82 | 80% | 0.796 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -63 | -41.3 | -178.8 | -63.1 | 179.3 | 71.4 | -178.2 | 2.4 | 112.5 | F59 Q63 I64 C65 | F59-R61 VanDerWaalsContact C-N 3.26Å; F59-R61 PolarHBondContact O-N 2.87Å; F59-R61 VanDerWaalsContact O-N 3.13Å; R61-Q63 VanDerWaalsContact C-N 3.34Å; R61-I64 PolarHBondContact O-N 3.2Å; R61-C65 PolarHBondContact O-N 2.77Å |
| 62 | V | 89.4 | Confident | 89.2 | Confident | 76 Ų | 76 | 81.4 Ų | 81.4 | 46% | 0.461 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -68.4 | -39.7 | 177.4 | -178.6 | 0 | 0 | 0 | 0 | 109.8 | T56 F59 Y60 I64 C65 Q66 | T56-V62 HydrophobicContact CG2-CB 4.2Å; T56-V62 HydrophobicContact CG2-CG1 3.49Å; T56-V62 VanDerWaalsContact CG2-CG1 3.49Å; F59-V62 HydrophobicContact CB-CB 4.13Å; F59-V62 HydrophobicContact CB-CG2 3.97Å; F59-V62 PolarHBondContact O-N 2.95Å; Y60-V62 PolarHBondContact O-N 3.39Å; V62-I64 VanDerWaalsContact C-N 3.29Å; V62-I64 PolarHBondContact O-N 2.98Å; V62-C65 PolarHBondContact O-N 2.97Å; V62-Q66 WeakPolarHBondContact O-CB 3.46Å; V62-Q66 PolarHBondContact O-N 2.84Å |
| 63 | Q | 90.7 | Very high | 89.4 | Confident | 8 Ų | 8 | 82.4 Ų | 82.4 | 4% | 0.037 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -62.7 | -34.7 | 177.7 | -157.9 | -178.2 | 0.6 | 0 | 0 | 112.4 | F59 Y60 R61 F67 I119 W123 | F59-Q63 PolarHBondContact O-N 3.07Å; F59-Q63 VanDerWaalsContact O-N 3.07Å; Y60-Q63 WeakPolarHBondContact O-CB 3.44Å; Y60-Q63 PolarHBondContact O-N 3.37Å; R61-Q63 VanDerWaalsContact C-N 3.34Å; Q63-F67 WeakPolarHBondContact O-CB 3.38Å; Q63-F67 PolarHBondContact O-N 3.35Å; Q63-I119 HydrophobicContact CG-CD1 4.48Å; Q63-I119 HydrophobicContact CG-CG1 4.17Å; Q63-I119 HydrophobicContact CG-CG2 3.79Å; Q63-W123 HydrophobicContact CB-CZ2 4.3Å; Q63-W123 HydrophobicContact CG-CZ2 4.19Å |
| 64 | I | 90.2 | Very high | 89.7 | Confident | 49 Ų | 49 | 83.8 Ų | 83.8 | 25% | 0.251 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -65.7 | -48.2 | 173 | -64.9 | 162.9 | 0 | 0 | 0 | 111 | Y60 R61 V62 Q66 F67 L68 W123 | Y60-I64 HydrophobicContact CD1-CD1 4.18Å; Y60-I64 HydrophobicContact CD2-CD1 3.91Å; Y60-I64 HydrophobicContact CD2-CG1 4.14Å; Y60-I64 HydrophobicContact CE1-CD1 3.58Å; Y60-I64 HydrophobicContact CE2-CD1 3.26Å; Y60-I64 HydrophobicContact CE2-CG1 3.76Å; Y60-I64 HydrophobicContact CG-CD1 4.34Å; Y60-I64 WeakPolarHBondContact O-CG1 3.46Å; Y60-I64 PolarHBondContact O-N 3.35Å; Y60-I64 VanDerWaalsContact OH-CD1 3.28Å; Y60-I64 WeakPolarHBondContact OH-CD1 3.42Å; R61-I64 PolarHBondContact O-N 3.2Å; V62-I64 VanDerWaalsContact C-N 3.29Å; V62-I64 PolarHBondContact O-N 2.98Å; I64-Q66 VanDerWaalsContact C-N 3.27Å; I64-Q66 PolarHBondContact O-N 3.14Å; I64-F67 WeakPolarHBondContact O-CB 3.37Å; I64-F67 PolarHBondContact O-N 3.35Å; I64-L68 HydrophobicContact CG2-CD1 4.03Å; I64-L68 HydrophobicContact CG2-CG 4.32Å; I64-L68 WeakPolarHBondContact O-CG 3.2Å; I64-L68 PolarHBondContact O-N 3.34Å; I64-W123 HydrophobicContact CB-CH2 4.38Å; I64-W123 HydrophobicContact CB-CZ2 4.33Å; I64-W123 HydrophobicContact CG1-CH2 3.88Å; I64-W123 HydrophobicContact CG1-CZ2 3.69Å |
| 65 | C | 92.6 | Very high | 89.9 | Confident | 77 Ų | 77 | 89.4 Ų | 89.4 | 52% | 0.52 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -57.9 | -45.5 | 177.7 | -178.3 | 0 | 0 | 0 | 0 | 110.3 | R61 V62 F67 L68 V69 | R61-C65 PolarHBondContact O-N 2.77Å; V62-C65 PolarHBondContact O-N 2.97Å; C65-F67 PolarHBondContact O-N 3.39Å; C65-L68 PolarHBondContact O-N 2.9Å; C65-V69 VanDerWaalsContact O-CG2 3.3Å; C65-V69 WeakPolarHBondContact O-CG2 3.3Å; C65-V69 PolarHBondContact O-N 3.16Å |
| 66 | Q | 91.4 | Very high | 90.2 | Very high | 20 Ų | 20 | 85.4 Ų | 85.4 | 9% | 0.093 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -59.5 | -45.7 | 175.3 | -172.7 | 174 | -15.8 | 0 | 0 | 112 | C49 T53 T56 V62 I64 L68 V69 M70 | C49-Q66 PolarHBondContact O-NE2 3.5Å; T53-Q66 PolarHBondContact OG1-NE2 2.98Å; T56-Q66 PolarHBondContact OG1-OE1 2.73Å; V62-Q66 WeakPolarHBondContact O-CB 3.46Å; V62-Q66 PolarHBondContact O-N 2.84Å; I64-Q66 VanDerWaalsContact C-N 3.27Å; I64-Q66 PolarHBondContact O-N 3.14Å; Q66-L68 PolarHBondContact O-N 3.23Å; Q66-V69 PolarHBondContact O-N 3.39Å; Q66-M70 HydrophobicContact CG-CE 4.09Å; Q66-M70 HydrophobicContact CG-CG 4.5Å; Q66-M70 WeakPolarHBondContact O-CG 3.35Å; Q66-M70 PolarHBondContact O-N 3.31Å |
| 67 | F | 93.8 | Very high | 90.5 | Very high | 49 Ų | 49 | 84.8 Ų | 84.8 | 22% | 0.215 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -58.3 | -47.9 | 175.9 | 174.3 | -96.2 | 0 | 0 | 0 | 112.2 | Q63 I64 C65 V69 M70 V71 T116 I119 V120 W123 | Q63-F67 WeakPolarHBondContact O-CB 3.38Å; Q63-F67 PolarHBondContact O-N 3.35Å; I64-F67 WeakPolarHBondContact O-CB 3.37Å; I64-F67 PolarHBondContact O-N 3.35Å; C65-F67 PolarHBondContact O-N 3.39Å; F67-V69 VanDerWaalsContact C-N 3.32Å; F67-V69 PolarHBondContact O-N 3.08Å; F67-M70 PolarHBondContact O-N 3.47Å; F67-V71 HydrophobicContact CD1-CG2 4.33Å; F67-V71 HydrophobicContact CD2-CG2 4.34Å; F67-V71 HydrophobicContact CE1-CG2 3.91Å; F67-V71 HydrophobicContact CE2-CG2 3.92Å; F67-V71 HydrophobicContact CZ-CG2 3.69Å; F67-V71 WeakPolarHBondContact O-CG2 3.31Å; F67-V71 PolarHBondContact O-N 3.38Å; F67-T116 HydrophobicContact CD2-CG2 4.16Å; F67-T116 HydrophobicContact CE2-CG2 4.36Å; F67-I119 HydrophobicContact CB-CG2 4.28Å; F67-I119 HydrophobicContact CD2-CG2 4.29Å; F67-V120 HydrophobicContact CD2-CG2 4.29Å; F67-V120 HydrophobicContact CE2-CG2 3.71Å; F67-V120 HydrophobicContact CZ-CG2 4.39Å; F67-W123 HydrophobicContact CB-CH2 3.79Å; F67-W123 HydrophobicContact CB-CZ2 4.37Å; F67-W123 HydrophobicContact CD1-CH2 4.17Å; F67-W123 HydrophobicContact CD1-CZ3 4.38Å; F67-W123 AromaticContact CG-CH2 3.91Å; F67-W123 HydrophobicContact CG-CH2 3.91Å; F67-W123 HydrophobicContact CG-CZ3 4.27Å |
| 68 | L | 94.4 | Very high | 91.2 | Very high | 108 Ų | 108 | 85.9 Ų | 85.9 | 57% | 0.565 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -61.5 | -41.7 | 178.9 | -68.5 | 174 | 0 | 0 | 0 | 111.8 | I64 C65 Q66 V71 C72 | I64-L68 HydrophobicContact CG2-CD1 4.03Å; I64-L68 HydrophobicContact CG2-CG 4.32Å; I64-L68 WeakPolarHBondContact O-CG 3.2Å; I64-L68 PolarHBondContact O-N 3.34Å; C65-L68 PolarHBondContact O-N 2.9Å; Q66-L68 PolarHBondContact O-N 3.23Å; L68-V71 PolarHBondContact O-N 3.45Å; L68-C72 VanDerWaalsContact O-CB 3.28Å; L68-C72 WeakPolarHBondContact O-CB 3.45Å; L68-C72 PolarHBondContact O-N 2.85Å |
| 69 | V | 93.8 | Very high | 91.9 | Very high | 66 Ų | 66 | 82.6 Ų | 82.6 | 40% | 0.4 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62.4 | -46.6 | 175.8 | 170.7 | 0 | 0 | 0 | 0 | 110.9 | C65 Q66 F67 V71 C72 M73 | C65-V69 VanDerWaalsContact O-CG2 3.3Å; C65-V69 WeakPolarHBondContact O-CG2 3.3Å; C65-V69 PolarHBondContact O-N 3.16Å; Q66-V69 PolarHBondContact O-N 3.39Å; F67-V69 VanDerWaalsContact C-N 3.32Å; F67-V69 PolarHBondContact O-N 3.08Å; V69-V71 PolarHBondContact O-N 2.91Å; V69-C72 PolarHBondContact O-N 2.94Å; V69-M73 HydrophobicContact CG1-CE 3.66Å; V69-M73 HydrophobicContact CG1-SD 4.01Å; V69-M73 WeakPolarHBondContact O-CB 3.16Å; V69-M73 WeakPolarHBondContact O-CG 3.32Å; V69-M73 PolarHBondContact O-N 2.9Å |
| 70 | M | 93.8 | Very high | 92.2 | Very high | 10 Ų | 10 | 79.5 Ų | 79.5 | 5% | 0.049 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -62.1 | -43.3 | 178.9 | -66.5 | -63.4 | 165.9 | 0 | 0 | 112.2 | C49 Q66 F67 M73 V74 L112 T116 | C49-M70 HydrophobicContact CB-CE 3.59Å; C49-M70 WeakPolarHBondContact SG-CE 3.35Å; Q66-M70 HydrophobicContact CG-CE 4.09Å; Q66-M70 HydrophobicContact CG-CG 4.5Å; Q66-M70 WeakPolarHBondContact O-CG 3.35Å; Q66-M70 PolarHBondContact O-N 3.31Å; F67-M70 PolarHBondContact O-N 3.47Å; M70-M73 WeakPolarHBondContact O-CB 3.41Å; M70-M73 PolarHBondContact O-N 3.48Å; M70-V74 WeakPolarHBondContact O-CG2 3.35Å; M70-V74 PolarHBondContact O-N 2.95Å; M70-L112 HydrophobicContact CE-CD2 4.47Å; M70-L112 HydrophobicContact SD-CD2 3.31Å; M70-L112 WeakPolarHBondContact SD-CD2 3.49Å; M70-L112 HydrophobicContact SD-CG 4.48Å; M70-T116 HydrophobicContact CB-CG2 3.49Å; M70-T116 VanDerWaalsContact CB-CG2 3.49Å; M70-T116 HydrophobicContact CG-CG2 4.28Å |
| 71 | V | 94.6 | Very high | 92.7 | Very high | 67 Ų | 67 | 72.7 Ų | 72.7 | 41% | 0.406 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -65.4 | -42 | 177.9 | 172.2 | 0 | 0 | 0 | 0 | 110.9 | F67 L68 V69 M73 V74 Y75 T116 | F67-V71 HydrophobicContact CD1-CG2 4.33Å; F67-V71 HydrophobicContact CD2-CG2 4.34Å; F67-V71 HydrophobicContact CE1-CG2 3.91Å; F67-V71 HydrophobicContact CE2-CG2 3.92Å; F67-V71 HydrophobicContact CZ-CG2 3.69Å; F67-V71 WeakPolarHBondContact O-CG2 3.31Å; F67-V71 PolarHBondContact O-N 3.38Å; L68-V71 PolarHBondContact O-N 3.45Å; V69-V71 PolarHBondContact O-N 2.91Å; V71-M73 VanDerWaalsContact C-N 3.34Å; V71-M73 PolarHBondContact O-N 3.49Å; V71-V74 PolarHBondContact O-N 3.33Å; V71-Y75 WeakPolarHBondContact O-CB 3.48Å; V71-Y75 PolarHBondContact O-N 3.33Å; V71-T116 HydrophobicContact CG2-CG2 4.34Å |
| 72 | C | 94.8 | Very high | 93 | Very high | 80 Ų | 80 | 67.7 Ų | 67.7 | 54% | 0.541 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61.7 | -42.8 | 175.9 | -176.6 | 0 | 0 | 0 | 0 | 111.7 | L68 V69 Y75 S76 | L68-C72 VanDerWaalsContact O-CB 3.28Å; L68-C72 WeakPolarHBondContact O-CB 3.45Å; L68-C72 PolarHBondContact O-N 2.85Å; V69-C72 PolarHBondContact O-N 2.94Å; C72-Y75 WeakPolarHBondContact O-CB 3.33Å; C72-Y75 PolarHBondContact O-N 3.43Å; C72-S76 PolarHBondContact O-N 2.94Å; C72-S76 PolarHBondContact O-OG 3.23Å |
| 73 | M | 93.8 | Very high | 93.1 | Very high | 53 Ų | 53 | 66.6 Ų | 66.6 | 26% | 0.261 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -58.5 | -50.3 | 174.8 | -82 | 176.9 | 177.9 | 0 | 0 | 112.2 | F45 V69 M70 V71 Y75 S76 A77 Y108 L112 | F45-M73 HydrophobicContact CE2-CE 4.3Å; F45-M73 HydrophobicContact CE2-SD 4.35Å; F45-M73 HydrophobicContact CZ-CE 4.2Å; F45-M73 HydrophobicContact CZ-SD 3.69Å; V69-M73 HydrophobicContact CG1-CE 3.66Å; V69-M73 HydrophobicContact CG1-SD 4.01Å; V69-M73 WeakPolarHBondContact O-CB 3.16Å; V69-M73 WeakPolarHBondContact O-CG 3.32Å; V69-M73 PolarHBondContact O-N 2.9Å; M70-M73 WeakPolarHBondContact O-CB 3.41Å; M70-M73 PolarHBondContact O-N 3.48Å; V71-M73 VanDerWaalsContact C-N 3.34Å; V71-M73 PolarHBondContact O-N 3.49Å; M73-Y75 VanDerWaalsContact C-N 3.31Å; M73-Y75 PolarHBondContact O-N 2.94Å; M73-S76 WeakPolarHBondContact CA-OG 3.31Å; M73-S76 CarbonylContact O-C 3.59Å; M73-S76 PolarHBondContact O-N 3.25Å; M73-S76 VanDerWaalsContact O-N 3.16Å; M73-S76 PolarHBondContact O-OG 3.23Å; M73-A77 PolarHBondContact O-N 3.49Å; M73-A77 VanDerWaalsContact O-N 3.17Å; M73-Y108 VanDerWaalsContact CB-OH 3.28Å; M73-Y108 WeakPolarHBondContact CB-OH 3.28Å; M73-L112 HydrophobicContact CB-CD1 4.34Å |
| 74 | V | 94.6 | Very high | 93.1 | Very high | 32 Ų | 32 | 67 Ų | 67 | 19% | 0.194 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62 | -40.1 | 177.4 | 173.8 | 0 | 0 | 0 | 0 | 111.3 | M70 V71 S76 A77 L112 L113 | M70-V74 WeakPolarHBondContact O-CG2 3.35Å; M70-V74 PolarHBondContact O-N 2.95Å; V71-V74 PolarHBondContact O-N 3.33Å; V74-S76 VanDerWaalsContact C-N 3.31Å; V74-S76 PolarHBondContact O-N 2.84Å; V74-A77 WeakPolarHBondContact O-CB 3.47Å; V74-A77 PolarHBondContact O-N 3.07Å; V74-A77 VanDerWaalsContact O-N 3.15Å; V74-L112 HydrophobicContact CG2-CB 3.66Å; V74-L112 HydrophobicContact CG2-CD1 4.06Å; V74-L113 HydrophobicContact CG1-CD1 4.49Å; V74-L113 HydrophobicContact CG1-CD2 4.1Å; V74-L113 HydrophobicContact CG1-CG 4.23Å; V74-L113 HydrophobicContact CG2-CD2 4.39Å; V74-L113 HydrophobicContact CG2-CG 4.29Å |
| 75 | Y | 93.5 | Very high | 93.2 | Very high | 203 Ų | 203 | 66 Ų | 66 | 80% | 0.796 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -61.4 | -40.7 | 175.4 | 176.1 | -102.1 | 0 | 0 | 0 | 112 | V71 C72 M73 A77 | V71-Y75 WeakPolarHBondContact O-CB 3.48Å; V71-Y75 PolarHBondContact O-N 3.33Å; C72-Y75 WeakPolarHBondContact O-CB 3.33Å; C72-Y75 PolarHBondContact O-N 3.43Å; M73-Y75 VanDerWaalsContact C-N 3.31Å; M73-Y75 PolarHBondContact O-N 2.94Å; Y75-A77 PolarHBondContact O-N 2.87Å |
| 76 | S | 93.4 | Very high | 93.1 | Very high | 36 Ų | 36 | 69.7 Ų | 69.7 | 25% | 0.252 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -0.8 | 177 | 65.1 | 0 | 0 | 0 | 0 | 114.6 | C72 M73 V74 E78 Y79 L80 | C72-S76 PolarHBondContact O-N 2.94Å; C72-S76 PolarHBondContact O-OG 3.23Å; M73-S76 WeakPolarHBondContact CA-OG 3.31Å; M73-S76 CarbonylContact O-C 3.59Å; M73-S76 PolarHBondContact O-N 3.25Å; M73-S76 VanDerWaalsContact O-N 3.16Å; M73-S76 PolarHBondContact O-OG 3.23Å; V74-S76 VanDerWaalsContact C-N 3.31Å; V74-S76 PolarHBondContact O-N 2.84Å; S76-E78 VanDerWaalsContact C-N 3.32Å; S76-E78 PolarHBondContact O-N 3.02Å; S76-Y79 PolarHBondContact O-N 3.45Å; S76-L80 WeakPolarHBondContact O-CG 3.36Å; S76-L80 PolarHBondContact O-N 3.25Å |
| 77 | A | 93.2 | Very high | 93 | Very high | 5 Ų | 5 | 72.9 Ų | 72.9 | 4% | 0.041 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -61.4 | -37.4 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | M73 V74 Y75 L80 N81 I104 Y108 S109 | M73-A77 PolarHBondContact O-N 3.49Å; M73-A77 VanDerWaalsContact O-N 3.17Å; V74-A77 WeakPolarHBondContact O-CB 3.47Å; V74-A77 PolarHBondContact O-N 3.07Å; V74-A77 VanDerWaalsContact O-N 3.15Å; Y75-A77 PolarHBondContact O-N 2.87Å; A77-L80 PolarHBondContact O-N 3.21Å; A77-N81 VanDerWaalsContact O-CB 3.27Å; A77-N81 WeakPolarHBondContact O-CB 3.34Å; A77-N81 PolarHBondContact O-N 2.95Å; A77-I104 HydrophobicContact CB-CG1 4.06Å; A77-Y108 HydrophobicContact CB-CD1 3.98Å; A77-Y108 HydrophobicContact CB-CE1 4Å; A77-S109 WeakPolarHBondContact CB-OG 3.22Å |
| 78 | E | 92.9 | Very high | 92.8 | Very high | 143 Ų | 143 | 73.3 Ų | 73.3 | 67% | 0.668 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -63.1 | -49 | 176.8 | -175.8 | 174 | -172.2 | 0 | 0 | 111.1 | S76 L80 N81 E82 | S76-E78 VanDerWaalsContact C-N 3.32Å; S76-E78 PolarHBondContact O-N 3.02Å; E78-L80 PolarHBondContact O-N 3.44Å; E78-N81 WeakPolarHBondContact O-CB 3.49Å; E78-N81 PolarHBondContact O-N 3.27Å; E78-N81 VanDerWaalsContact O-N 3.12Å; E78-E82 PolarHBondContact O-N 3.29Å |
| 79 | Y | 92.8 | Very high | 92.5 | Very high | 156 Ų | 156 | 77.8 Ų | 77.8 | 61% | 0.612 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -60.8 | -43.7 | 175.9 | 179.2 | -103.2 | 0 | 0 | 0 | 112.3 | S76 N81 E82 V83 | S76-Y79 PolarHBondContact O-N 3.45Å; Y79-N81 VanDerWaalsContact C-N 3.27Å; Y79-N81 PolarHBondContact O-N 3.05Å; Y79-E82 PolarHBondContact O-N 3.03Å; Y79-V83 HydrophobicContact CD1-CG2 4.33Å; Y79-V83 HydrophobicContact CD2-CG2 4.49Å; Y79-V83 HydrophobicContact CE1-CG2 3.88Å; Y79-V83 HydrophobicContact CE2-CG2 4.04Å; Y79-V83 WeakPolarHBondContact O-CG2 3.42Å; Y79-V83 PolarHBondContact O-N 2.94Å |
| 80 | L | 91.8 | Very high | 92.2 | Very high | 69 Ų | 69 | 79.9 Ų | 79.9 | 36% | 0.361 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -60.6 | -39.6 | 175.2 | -73.1 | 174.8 | 0 | 0 | 0 | 111.6 | S76 A77 E78 A84 Y108 | S76-L80 WeakPolarHBondContact O-CG 3.36Å; S76-L80 PolarHBondContact O-N 3.25Å; A77-L80 PolarHBondContact O-N 3.21Å; E78-L80 PolarHBondContact O-N 3.44Å; L80-A84 WeakPolarHBondContact O-CB 3.33Å; L80-A84 PolarHBondContact O-N 3.46Å; L80-Y108 HydrophobicContact CD1-CE1 4.19Å |
| 81 | N | 94.1 | Very high | 91.7 | Very high | 8 Ų | 8 | 83.2 Ų | 83.2 | 4% | 0.043 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -65.7 | -41.7 | 177.1 | 173.9 | 83.9 | 0 | 0 | 0 | 112.3 | A77 E78 Y79 A84 A85 F97 D98 I104 | A77-N81 VanDerWaalsContact O-CB 3.27Å; A77-N81 WeakPolarHBondContact O-CB 3.34Å; A77-N81 PolarHBondContact O-N 2.95Å; E78-N81 WeakPolarHBondContact O-CB 3.49Å; E78-N81 PolarHBondContact O-N 3.27Å; E78-N81 VanDerWaalsContact O-N 3.12Å; Y79-N81 VanDerWaalsContact C-N 3.27Å; Y79-N81 PolarHBondContact O-N 3.05Å; N81-A84 PolarHBondContact O-N 3.5Å; N81-A85 WeakPolarHBondContact O-CB 3.37Å; N81-A85 PolarHBondContact O-N 3.46Å; N81-F97 HydrophobicContact CB-CD1 4.27Å; N81-F97 WeakPolarHBondContact OD1-CB 3.49Å; N81-F97 WeakPolarHBondContact OD1-CD1 3.39Å; N81-D98 PolarHBondContact ND2-O 3.45Å; N81-I104 HydrophobicContact CB-CB 3.97Å; N81-I104 HydrophobicContact CB-CG1 4.29Å; N81-I104 HydrophobicContact CB-CG2 3.62Å |
| 82 | E | 93.1 | Very high | 91.3 | Very high | 106 Ų | 106 | 80.3 Ų | 80.3 | 50% | 0.495 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62.2 | -49.2 | 174.2 | -69.4 | -178 | 164.3 | 0 | 0 | 111.8 | E78 Y79 A84 A85 M86 | E78-E82 PolarHBondContact O-N 3.29Å; Y79-E82 PolarHBondContact O-N 3.03Å; E82-A84 VanDerWaalsContact C-N 3.3Å; E82-A84 PolarHBondContact O-N 2.84Å; E82-A85 CarbonylContact O-C 3.57Å; E82-A85 PolarHBondContact O-N 3.31Å; E82-A85 VanDerWaalsContact O-N 3.17Å; E82-M86 WeakPolarHBondContact O-CG 3.5Å; E82-M86 PolarHBondContact O-N 3.29Å |
| 83 | V | 92.3 | Very high | 90.7 | Very high | 54 Ų | 54 | 84.9 Ų | 84.9 | 33% | 0.327 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -62.3 | -40.1 | 179.1 | 173.5 | 0 | 0 | 0 | 0 | 111.2 | Y79 M86 N87 | Y79-V83 HydrophobicContact CD1-CG2 4.33Å; Y79-V83 HydrophobicContact CD2-CG2 4.49Å; Y79-V83 HydrophobicContact CE1-CG2 3.88Å; Y79-V83 HydrophobicContact CE2-CG2 4.04Å; Y79-V83 WeakPolarHBondContact O-CG2 3.42Å; Y79-V83 PolarHBondContact O-N 2.94Å; V83-M86 PolarHBondContact O-N 3.42Å; V83-N87 WeakPolarHBondContact O-CB 3.34Å; V83-N87 PolarHBondContact O-N 3.2Å; V83-N87 PolarHBondContact O-ND2 2.91Å |
| 84 | A | 90.2 | Very high | 90.3 | Very high | 15 Ų | 15 | 87.5 Ų | 87.5 | 12% | 0.124 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -69.2 | -36.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L80 N81 E82 M86 N87 W88 F91 F97 | L80-A84 WeakPolarHBondContact O-CB 3.33Å; L80-A84 PolarHBondContact O-N 3.46Å; N81-A84 PolarHBondContact O-N 3.5Å; E82-A84 VanDerWaalsContact C-N 3.3Å; E82-A84 PolarHBondContact O-N 2.84Å; A84-M86 VanDerWaalsContact C-N 3.32Å; A84-M86 PolarHBondContact O-N 2.9Å; A84-N87 CarbonylContact O-C 3.59Å; A84-N87 PolarHBondContact O-N 2.88Å; A84-W88 VanDerWaalsContact O-CA 3.29Å; A84-W88 WeakPolarHBondContact O-CA 3.42Å; A84-W88 WeakPolarHBondContact O-CB 3.47Å; A84-W88 PolarHBondContact O-N 3.5Å; A84-F91 HydrophobicContact CB-CE1 4.35Å; A84-F91 HydrophobicContact CB-CZ 3.9Å; A84-F97 HydrophobicContact CB-CB 4.41Å; A84-F97 HydrophobicContact CB-CD1 3.61Å; A84-F97 HydrophobicContact CB-CD2 3.6Å; A84-F97 HydrophobicContact CB-CE1 3.65Å; A84-F97 HydrophobicContact CB-CE2 3.69Å; A84-F97 HydrophobicContact CB-CG 3.58Å; A84-F97 HydrophobicContact CB-CZ 3.69Å |
| 85 | A | 91.8 | Very high | 90 | Very high | 28 Ų | 28 | 91.4 Ų | 91.4 | 23% | 0.231 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -69.3 | -26.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | N81 E82 F97 | N81-A85 WeakPolarHBondContact O-CB 3.37Å; N81-A85 PolarHBondContact O-N 3.46Å; E82-A85 CarbonylContact O-C 3.57Å; E82-A85 PolarHBondContact O-N 3.31Å; E82-A85 VanDerWaalsContact O-N 3.17Å; A85-F97 HydrophobicContact CB-CB 3.7Å |
| 86 | M | 90.9 | Very high | 89.7 | Confident | 155 Ų | 155 | 82.8 Ų | 82.8 | 76% | 0.764 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -78 | -35.8 | 172.7 | -69.7 | 177.8 | 70.1 | 0 | 0 | 112 | E82 V83 A84 | E82-M86 WeakPolarHBondContact O-CG 3.5Å; E82-M86 PolarHBondContact O-N 3.29Å; V83-M86 PolarHBondContact O-N 3.42Å; A84-M86 VanDerWaalsContact C-N 3.32Å; A84-M86 PolarHBondContact O-N 2.9Å |
| 87 | N | 89.7 | Confident | 89.5 | Confident | 88 Ų | 88 | 81.5 Ų | 81.5 | 47% | 0.471 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -107.5 | 12.7 | -171.9 | -63.8 | -60.3 | 0 | 0 | 0 | 114.5 | V83 A84 R89 S90 F91 | V83-N87 WeakPolarHBondContact O-CB 3.34Å; V83-N87 PolarHBondContact O-N 3.2Å; V83-N87 PolarHBondContact O-ND2 2.91Å; A84-N87 CarbonylContact O-C 3.59Å; A84-N87 PolarHBondContact O-N 2.88Å; N87-R89 PolarHBondContact O-N 2.98Å; N87-S90 WeakPolarHBondContact O-CB 2.97Å; N87-S90 PolarHBondContact O-N 2.99Å; N87-F91 WeakPolarHBondContact O-CD1 3.32Å; N87-F91 WeakPolarHBondContact O-CE1 3.48Å |
| 88 | W | 88.6 | Confident | 89.2 | Confident | 57 Ų | 57 | 83.6 Ų | 83.6 | 22% | 0.216 | 40% | 0.4 | C | S | . | . | G | 310 helix | trans | -50.9 | -40.6 | -171.9 | 67.4 | -89.2 | 0 | 0 | 0 | 113.2 | A84 S90 F91 S92 Q95 | A84-W88 VanDerWaalsContact O-CA 3.29Å; A84-W88 WeakPolarHBondContact O-CA 3.42Å; A84-W88 WeakPolarHBondContact O-CB 3.47Å; A84-W88 PolarHBondContact O-N 3.5Å; W88-S90 PolarHBondContact O-N 2.79Å; W88-F91 VanDerWaalsContact CA-CE1 3.47Å; W88-F91 PolarHBondContact O-N 3.21Å; W88-F91 VanDerWaalsContact O-N 3.12Å; W88-S92 PolarHBondContact O-N 3.37Å; W88-S92 VanDerWaalsContact O-O 3.06Å; W88-S92 PolarHBondContact O-OG 2.99Å; W88-S92 VanDerWaalsContact O-OG 3.1Å; W88-Q95 HydrophobicContact CD2-CB 3.97Å; W88-Q95 HydrophobicContact CD2-CG 4.29Å; W88-Q95 HydrophobicContact CE3-CB 4.28Å; W88-Q95 HydrophobicContact CG-CB 4.23Å; W88-Q95 HydrophobicContact CG-CG 4.07Å |
| 89 | R | 88.7 | Confident | 88.9 | Confident | 203 Ų | 203 | 82.5 Ų | 82.5 | 77% | 0.766 | 41% | 0.408 | S | S | * | . | G | 310 helix | trans | -60.3 | -21.4 | -179.8 | -63.6 | -174.1 | -180 | -174.8 | 1.3 | 114.4 | N87 | N87-R89 PolarHBondContact O-N 2.98Š|
| 90 | S | 87.2 | Confident | 88.4 | Confident | 110 Ų | 110 | 81.4 Ų | 81.4 | 77% | 0.769 | 41% | 0.413 | S | S | * | . | G | 310 helix | trans | -79.4 | -23.3 | -179.3 | -172.5 | 0 | 0 | 0 | 0 | 113.1 | N87 W88 | N87-S90 WeakPolarHBondContact O-CB 2.97Å; N87-S90 PolarHBondContact O-N 2.99Å; W88-S90 PolarHBondContact O-N 2.79Å |
| 91 | F | 83.7 | Confident | 88.2 | Confident | 79 Ų | 79 | 78.6 Ų | 78.6 | 35% | 0.346 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -135.9 | -22.2 | -170.3 | 68.9 | -93.1 | 0 | 0 | 0 | 114.4 | W38 A84 N87 W88 F97 | W38-F91 VanDerWaalsContact CD1-O 3.23Å; W38-F91 HydrophobicContact CD2-CD2 4.03Å; W38-F91 HydrophobicContact CD2-CE2 4.22Å; W38-F91 HydrophobicContact CE3-CE2 4.44Å; W38-F91 HydrophobicContact CG-CD2 4.1Å; W38-F91 HydrophobicContact CH2-CE2 4.45Å; W38-F91 HydrophobicContact CZ2-CE2 4.27Å; A84-F91 HydrophobicContact CB-CE1 4.35Å; A84-F91 HydrophobicContact CB-CZ 3.9Å; N87-F91 WeakPolarHBondContact O-CD1 3.32Å; N87-F91 WeakPolarHBondContact O-CE1 3.48Å; W88-F91 VanDerWaalsContact CA-CE1 3.47Å; W88-F91 PolarHBondContact O-N 3.21Å; W88-F91 VanDerWaalsContact O-N 3.12Å; F91-F97 AromaticContact CE2-CE2 3.63Å; F91-F97 HydrophobicContact CE2-CE2 3.63Å; F91-F97 HydrophobicContact CE2-CZ 4.25Å; F91-F97 HydrophobicContact CZ-CD2 4.06Å; F91-F97 AromaticContact CZ-CE2 3.49Å; F91-F97 HydrophobicContact CZ-CE2 3.49Å; F91-F97 VanDerWaalsContact CZ-CE2 3.49Å; F91-F97 HydrophobicContact CZ-CZ 4.24Å |
| 92 | S | 85.9 | Confident | 88 | Confident | 7 Ų | 7 | 82 Ų | 82 | 5% | 0.049 | 42% | 0.417 | C | S | . | . | trans | -124.2 | 146.6 | 178.8 | 68.3 | 0 | 0 | 0 | 0 | 111.6 | W88 F94 | W88-S92 PolarHBondContact O-N 3.37Å; W88-S92 VanDerWaalsContact O-O 3.06Å; W88-S92 PolarHBondContact O-OG 2.99Å; W88-S92 VanDerWaalsContact O-OG 3.1Å; S92-F94 VanDerWaalsContact C-N 3.32Å; S92-F94 WeakPolarHBondContact CB-O 2.9Å; S92-F94 PolarHBondContact OG-O 3.48Å | ||
| 93 | K | 82.8 | Confident | 87.9 | Confident | 176 Ų | 176 | 77 Ų | 77 | 77% | 0.765 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -77.9 | -24 | 173.9 | -64.6 | 176 | 179.5 | 176.4 | 0 | 111.9 | E36 | E36-K93 VanDerWaalsContact OE1-CB 3.28Å; E36-K93 WeakPolarHBondContact OE1-CB 3.44Å; E36-K93 WeakPolarHBondContact OE1-CG 3.31Å; E36-K93 PolarHBondContact OE1-N 3.37Å |
| 94 | F | 85.6 | Confident | 87.8 | Confident | 107 Ų | 107 | 75.2 Ų | 75.2 | 47% | 0.469 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -121 | 151.2 | -179.1 | -56.3 | -85.4 | 0 | 0 | 0 | 111 | Q33 S92 Y96 | Q33-F94 HydrophobicContact CB-CE2 4.4Å; Q33-F94 HydrophobicContact CG-CD2 4.1Å; Q33-F94 HydrophobicContact CG-CE2 3.74Å; Q33-F94 HydrophobicContact CG-CZ 4.37Å; S92-F94 VanDerWaalsContact C-N 3.32Å; S92-F94 WeakPolarHBondContact CB-O 2.9Å; S92-F94 PolarHBondContact OG-O 3.48Å; F94-Y96 HydrophobicContact CB-CD2 4.42Å; F94-Y96 HydrophobicContact CB-CE1 4.3Å; F94-Y96 HydrophobicContact CB-CE2 3.79Å; F94-Y96 WeakPolarHBondContact CD2-OH 3.44Å; F94-Y96 WeakPolarHBondContact O-CD2 3.47Å; F94-Y96 PolarHBondContact O-N 2.93Å |
| 95 | Q | 87.2 | Confident | 87.9 | Confident | 114 Ų | 114 | 77.2 Ų | 77.2 | 53% | 0.533 | 40% | 0.395 | S | S | . | . | trans | -87.4 | 95.4 | 176.5 | -171.8 | -178.8 | -36.7 | 0 | 0 | 109.8 | W88 F97 | W88-Q95 HydrophobicContact CD2-CB 3.97Å; W88-Q95 HydrophobicContact CD2-CG 4.29Å; W88-Q95 HydrophobicContact CE3-CB 4.28Å; W88-Q95 HydrophobicContact CG-CB 4.23Å; W88-Q95 HydrophobicContact CG-CG 4.07Å; Q95-F97 PolarHBondContact NE2-O 2.91Å | ||
| 96 | Y | 87.4 | Confident | 87.9 | Confident | 22 Ų | 22 | 77.3 Ų | 77.3 | 9% | 0.086 | 39% | 0.392 | C | S | . | . | trans | -84.2 | -26.9 | 177.1 | -62.8 | -74.5 | 0 | 0 | 0 | 113.6 | I32 Q33 E36 W38 F94 F103 | I32-Y96 HydrophobicContact CB-CE1 4.31Å; I32-Y96 HydrophobicContact CG1-CD1 4.29Å; I32-Y96 HydrophobicContact CG1-CE1 4.22Å; I32-Y96 HydrophobicContact CG2-CD1 4.49Å; I32-Y96 HydrophobicContact CG2-CE1 4Å; Q33-Y96 WeakPolarHBondContact CB-OH 3.28Å; Q33-Y96 PolarHBondContact N-OH 3.3Å; E36-Y96 VanDerWaalsContact OE2-CE2 3.23Å; E36-Y96 WeakPolarHBondContact OE2-CE2 3.44Å; W38-Y96 HydrophobicContact CH2-CD2 4.18Å; W38-Y96 AromaticContact CZ2-CD2 3.55Å; W38-Y96 HydrophobicContact CZ2-CD2 3.55Å; W38-Y96 AromaticContact CZ2-CE2 3.86Å; W38-Y96 HydrophobicContact CZ2-CE2 3.86Å; W38-Y96 HydrophobicContact CZ2-CG 4.43Å; F94-Y96 HydrophobicContact CB-CD2 4.42Å; F94-Y96 HydrophobicContact CB-CE1 4.3Å; F94-Y96 HydrophobicContact CB-CE2 3.79Å; F94-Y96 WeakPolarHBondContact CD2-OH 3.44Å; F94-Y96 WeakPolarHBondContact O-CD2 3.47Å; F94-Y96 PolarHBondContact O-N 2.93Å; Y96-F103 HydrophobicContact CD1-CD2 4.25Å; Y96-F103 HydrophobicContact CD1-CE2 4.39Å; Y96-F103 HydrophobicContact CG-CD2 4.28Å; Y96-F103 HydrophobicContact CG-CE2 4.32Å; Y96-F103 WeakPolarHBondContact O-CB 3.21Å | ||
| 97 | F | 90 | Very high | 87.9 | Confident | 10 Ų | 10 | 70.6 Ų | 70.6 | 4% | 0.044 | 36% | 0.359 | C | S | . | . | trans | -88.3 | 127.3 | -174.6 | -54.6 | -87.7 | 0 | 0 | 0 | 109.9 | W38 N81 A84 A85 F91 Q95 F103 I104 | W38-F97 AromaticContact CH2-CE2 3.91Å; W38-F97 HydrophobicContact CH2-CE2 3.91Å; W38-F97 AromaticContact CH2-CZ 3.74Å; W38-F97 HydrophobicContact CH2-CZ 3.74Å; W38-F97 HydrophobicContact CZ2-CE2 4.47Å; W38-F97 HydrophobicContact CZ3-CE2 4.43Å; W38-F97 AromaticContact CZ3-CZ 3.93Å; W38-F97 HydrophobicContact CZ3-CZ 3.93Å; N81-F97 HydrophobicContact CB-CD1 4.27Å; N81-F97 WeakPolarHBondContact OD1-CB 3.49Å; N81-F97 WeakPolarHBondContact OD1-CD1 3.39Å; A84-F97 HydrophobicContact CB-CB 4.41Å; A84-F97 HydrophobicContact CB-CD1 3.61Å; A84-F97 HydrophobicContact CB-CD2 3.6Å; A84-F97 HydrophobicContact CB-CE1 3.65Å; A84-F97 HydrophobicContact CB-CE2 3.69Å; A84-F97 HydrophobicContact CB-CG 3.58Å; A84-F97 HydrophobicContact CB-CZ 3.69Å; A85-F97 HydrophobicContact CB-CB 3.7Å; F91-F97 AromaticContact CE2-CE2 3.63Å; F91-F97 HydrophobicContact CE2-CE2 3.63Å; F91-F97 HydrophobicContact CE2-CZ 4.25Å; F91-F97 HydrophobicContact CZ-CD2 4.06Å; F91-F97 AromaticContact CZ-CE2 3.49Å; F91-F97 HydrophobicContact CZ-CE2 3.49Å; F91-F97 VanDerWaalsContact CZ-CE2 3.49Å; F91-F97 HydrophobicContact CZ-CZ 4.24Å; Q95-F97 PolarHBondContact NE2-O 2.91Å; F97-F103 AromaticContact CD1-CD1 3.98Å; F97-F103 HydrophobicContact CD1-CD1 3.98Å; F97-F103 AromaticContact CE1-CD1 3.62Å; F97-F103 HydrophobicContact CE1-CD1 3.62Å; F97-F103 AromaticContact CE1-CE1 3.72Å; F97-F103 HydrophobicContact CE1-CE1 3.72Å; F97-F103 HydrophobicContact CE2-CE1 4.47Å; F97-F103 AromaticContact CZ-CD1 3.96Å; F97-F103 HydrophobicContact CZ-CD1 3.96Å; F97-F103 AromaticContact CZ-CE1 3.7Å; F97-F103 HydrophobicContact CZ-CE1 3.7Å; F97-I104 HydrophobicContact CE1-CD1 4.01Å | ||
| 98 | D | 86.4 | Confident | 88.1 | Confident | 48 Ų | 48 | 67.5 Ų | 67.5 | 26% | 0.257 | 34% | 0.341 | S | S | . | . | trans | -132.6 | 166.3 | -176.2 | 77.3 | -38.8 | 0 | 0 | 0 | 110.8 | N81 N100 G101 M102 | N81-D98 PolarHBondContact ND2-O 3.45Å; D98-N100 PolarHBondContact O-N 3.14Å; D98-N100 WeakPolarHBondContact OD2-CB 3.36Å; D98-N100 PolarHBondContact OD2-ND2 3.44Å; D98-G101 PolarHBondContact O-N 3.4Å; D98-G101 WeakPolarHBondContact OD1-CA 3.33Å; D98-G101 PolarHBondContact OD1-N 2.95Å; D98-M102 PolarHBondContact OD1-N 2.9Å | ||
| 99 | S | 86.4 | Confident | 88.4 | Confident | 121 Ų | 121 | 65.2 Ų | 65.2 | 85% | 0.846 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -22.9 | -179.9 | 56.8 | 0 | 0 | 0 | 0 | 113.4 | G101 | S99-G101 VanDerWaalsContact C-N 3.29Š|
| 100 | N | 83.3 | Confident | 88.6 | Confident | 133 Ų | 133 | 59 Ų | 59 | 71% | 0.711 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -12.6 | 175.8 | -49.6 | -66.4 | 0 | 0 | 0 | 112.4 | D98 M102 | D98-N100 PolarHBondContact O-N 3.14Å; D98-N100 WeakPolarHBondContact OD2-CB 3.36Å; D98-N100 PolarHBondContact OD2-ND2 3.44Å; N100-M102 PolarHBondContact O-N 3.09Å |
| 101 | G | 87 | Confident | 88.8 | Confident | 10 Ų | 10 | 55.5 Ų | 55.5 | 10% | 0.103 | 29% | 0.29 | C | S | . | . | trans | 61.9 | 28.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | D98 S99 F103 I104 S105 | D98-G101 PolarHBondContact O-N 3.4Å; D98-G101 WeakPolarHBondContact OD1-CA 3.33Å; D98-G101 PolarHBondContact OD1-N 2.95Å; S99-G101 VanDerWaalsContact C-N 3.29Å; G101-F103 VanDerWaalsContact C-N 3.35Å; G101-F103 PolarHBondContact O-N 3.19Å; G101-I104 WeakPolarHBondContact O-CG2 3.39Å; G101-I104 PolarHBondContact O-N 3.33Å; G101-S105 WeakPolarHBondContact O-CB 3.43Å; G101-S105 PolarHBondContact O-N 3.49Å | ||
| 102 | M | 88.9 | Confident | 89.3 | Confident | 79 Ų | 79 | 51.8 Ų | 51.8 | 39% | 0.389 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -64.1 | -43.1 | -173 | -173.6 | 176.7 | 66.2 | 0 | 0 | 111 | F28 D98 N100 L106 | F28-M102 HydrophobicContact CB-CE 4.24Å; F28-M102 HydrophobicContact CD1-CE 3.76Å; F28-M102 HydrophobicContact CD2-CE 3.22Å; F28-M102 HydrophobicContact CE1-CE 3.84Å; F28-M102 HydrophobicContact CE1-CG 4.41Å; F28-M102 HydrophobicContact CE2-CE 3.32Å; F28-M102 HydrophobicContact CG-CE 3.45Å; F28-M102 VanDerWaalsContact CG-CE 3.45Å; F28-M102 HydrophobicContact CZ-CE 3.63Å; D98-M102 PolarHBondContact OD1-N 2.9Å; N100-M102 PolarHBondContact O-N 3.09Å; M102-L106 HydrophobicContact CG-CD1 3.86Å; M102-L106 WeakPolarHBondContact O-CB 3.49Å; M102-L106 VanDerWaalsContact O-CG 3.27Å; M102-L106 WeakPolarHBondContact O-CG 3.39Å; M102-L106 PolarHBondContact O-N 3.45Å; M102-L106 VanDerWaalsContact O-N 3.12Å |
| 103 | F | 91.1 | Very high | 89.7 | Confident | 1 Ų | 1 | 55.1 Ų | 55.1 | 0% | 0.004 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.8 | -54.7 | 176.1 | 174.9 | -96.2 | 0 | 0 | 0 | 112.2 | F28 I32 W38 L39 Y96 F97 G101 S105 L106 V107 | F28-F103 HydrophobicContact CE1-CB 4.41Å; F28-F103 HydrophobicContact CZ-CB 3.98Å; F28-F103 HydrophobicContact CZ-CD2 4.34Å; I32-F103 HydrophobicContact CD1-CD2 3.82Å; I32-F103 HydrophobicContact CD1-CE2 3.9Å; I32-F103 HydrophobicContact CG1-CD2 4.47Å; I32-F103 HydrophobicContact CG2-CE2 4.42Å; W38-F103 AromaticContact CH2-CE1 3.67Å; W38-F103 HydrophobicContact CH2-CE1 3.67Å; W38-F103 HydrophobicContact CH2-CE2 4.46Å; W38-F103 AromaticContact CH2-CZ 3.51Å; W38-F103 HydrophobicContact CH2-CZ 3.51Å; W38-F103 HydrophobicContact CZ3-CE1 4.07Å; W38-F103 HydrophobicContact CZ3-CZ 4.03Å; L39-F103 HydrophobicContact CD2-CE2 3.98Å; L39-F103 HydrophobicContact CD2-CZ 3.53Å; Y96-F103 HydrophobicContact CD1-CD2 4.25Å; Y96-F103 HydrophobicContact CD1-CE2 4.39Å; Y96-F103 HydrophobicContact CG-CD2 4.28Å; Y96-F103 HydrophobicContact CG-CE2 4.32Å; Y96-F103 WeakPolarHBondContact O-CB 3.21Å; F97-F103 AromaticContact CD1-CD1 3.98Å; F97-F103 HydrophobicContact CD1-CD1 3.98Å; F97-F103 AromaticContact CE1-CD1 3.62Å; F97-F103 HydrophobicContact CE1-CD1 3.62Å; F97-F103 AromaticContact CE1-CE1 3.72Å; F97-F103 HydrophobicContact CE1-CE1 3.72Å; F97-F103 HydrophobicContact CE2-CE1 4.47Å; F97-F103 AromaticContact CZ-CD1 3.96Å; F97-F103 HydrophobicContact CZ-CD1 3.96Å; F97-F103 AromaticContact CZ-CE1 3.7Å; F97-F103 HydrophobicContact CZ-CE1 3.7Å; G101-F103 VanDerWaalsContact C-N 3.35Å; G101-F103 PolarHBondContact O-N 3.19Å; F103-S105 PolarHBondContact O-N 3.06Å; F103-L106 PolarHBondContact O-N 3.21Å; F103-V107 HydrophobicContact CD2-CB 4.4Å; F103-V107 HydrophobicContact CD2-CG2 3.85Å; F103-V107 HydrophobicContact CE2-CB 3.99Å; F103-V107 HydrophobicContact CE2-CG1 4.19Å; F103-V107 HydrophobicContact CE2-CG2 3.66Å; F103-V107 HydrophobicContact CZ-CB 4.03Å; F103-V107 HydrophobicContact CZ-CG1 4.04Å; F103-V107 HydrophobicContact CZ-CG2 4.23Å; F103-V107 WeakPolarHBondContact O-CB 3.46Å; F103-V107 PolarHBondContact O-N 2.82Å |
| 104 | I | 91.9 | Very high | 90.2 | Very high | 16 Ų | 16 | 51.4 Ų | 51.4 | 8% | 0.082 | 28% | 0.279 | C | S | . | . | I | π-helix | trans | -62.9 | -36.2 | -176.1 | -162.9 | 73.1 | 0 | 0 | 0 | 110.7 | A77 N81 F97 G101 Y108 S109 | A77-I104 HydrophobicContact CB-CG1 4.06Å; N81-I104 HydrophobicContact CB-CB 3.97Å; N81-I104 HydrophobicContact CB-CG1 4.29Å; N81-I104 HydrophobicContact CB-CG2 3.62Å; F97-I104 HydrophobicContact CE1-CD1 4.01Å; G101-I104 WeakPolarHBondContact O-CG2 3.39Å; G101-I104 PolarHBondContact O-N 3.33Å; I104-Y108 HydrophobicContact CD1-CD1 3.87Å; I104-Y108 HydrophobicContact CD1-CG 3.78Å; I104-Y108 HydrophobicContact CG1-CD1 3.94Å; I104-Y108 HydrophobicContact CG1-CG 4.25Å; I104-Y108 CarbonylContact O-C 3.57Å; I104-Y108 WeakPolarHBondContact O-CA 3.35Å; I104-Y108 WeakPolarHBondContact O-CB 3.38Å; I104-Y108 PolarHBondContact O-N 2.91Å; I104-S109 PolarHBondContact O-N 3.16Å |
| 105 | S | 91.8 | Very high | 90.5 | Very high | 57 Ų | 57 | 46.5 Ų | 46.5 | 40% | 0.399 | 26% | 0.257 | S | S | . | . | I | π-helix | trans | -65.6 | -50.7 | 178.9 | -176.5 | 0 | 0 | 0 | 0 | 111.1 | G101 F103 S109 I110 | G101-S105 WeakPolarHBondContact O-CB 3.43Å; G101-S105 PolarHBondContact O-N 3.49Å; F103-S105 PolarHBondContact O-N 3.06Å; S105-S109 WeakPolarHBondContact O-CB 3.12Å; S105-S109 PolarHBondContact O-N 3.46Å; S105-I110 WeakPolarHBondContact O-CG1 3.33Å; S105-I110 PolarHBondContact O-N 3.31Å |
| 106 | L | 90.6 | Very high | 90.8 | Very high | 31 Ų | 31 | 41.5 Ų | 41.5 | 16% | 0.162 | 24% | 0.235 | C | C | . | . | I | π-helix | trans | -71.3 | -45.5 | -175.6 | -70 | 171.8 | 0 | 0 | 0 | 113.2 | I25 F28 M102 F103 I110 | I25-L106 HydrophobicContact CD1-CD2 4.41Å; I25-L106 HydrophobicContact CG2-CD1 3.76Å; I25-L106 HydrophobicContact CG2-CD2 3.77Å; I25-L106 HydrophobicContact CG2-CG 4.42Å; F28-L106 HydrophobicContact CD1-CD1 3.8Å; F28-L106 HydrophobicContact CE1-CD1 4.03Å; M102-L106 HydrophobicContact CG-CD1 3.86Å; M102-L106 WeakPolarHBondContact O-CB 3.49Å; M102-L106 VanDerWaalsContact O-CG 3.27Å; M102-L106 WeakPolarHBondContact O-CG 3.39Å; M102-L106 PolarHBondContact O-N 3.45Å; M102-L106 VanDerWaalsContact O-N 3.12Å; F103-L106 PolarHBondContact O-N 3.21Å; L106-I110 HydrophobicContact CD2-CD1 3.69Å |
| 107 | V | 92.3 | Very high | 91.1 | Very high | 13 Ų | 13 | 45.4 Ų | 45.4 | 8% | 0.079 | 26% | 0.256 | C | S | . | . | I | π-helix | trans | -91.6 | -33.8 | -169.6 | -175.6 | 0 | 0 | 0 | 0 | 111.5 | L29 I32 W34 L42 H46 F103 P111 | L29-V107 HydrophobicContact CD2-CG2 3.94Å; I32-V107 HydrophobicContact CD1-CG2 4Å; W34-V107 HydrophobicContact CH2-CG1 3.99Å; W34-V107 HydrophobicContact CH2-CG2 4.13Å; W34-V107 HydrophobicContact CZ3-CG1 4.08Å; L42-V107 HydrophobicContact CD2-CG1 3.73Å; H46-V107 PolarHBondContact NE2-O 3.4Å; F103-V107 HydrophobicContact CD2-CB 4.4Å; F103-V107 HydrophobicContact CD2-CG2 3.85Å; F103-V107 HydrophobicContact CE2-CB 3.99Å; F103-V107 HydrophobicContact CE2-CG1 4.19Å; F103-V107 HydrophobicContact CE2-CG2 3.66Å; F103-V107 HydrophobicContact CZ-CB 4.03Å; F103-V107 HydrophobicContact CZ-CG1 4.04Å; F103-V107 HydrophobicContact CZ-CG2 4.23Å; F103-V107 WeakPolarHBondContact O-CB 3.46Å; F103-V107 PolarHBondContact O-N 2.82Å; V107-P111 WeakPolarHBondContact O-CG 3.38Å |
| 108 | Y | 93.6 | Very high | 91.2 | Very high | 23 Ų | 23 | 48.2 Ų | 48.2 | 9% | 0.09 | 27% | 0.271 | C | S | . | . | I | π-helix | trans | -100.5 | -55.8 | -179.1 | 175.1 | -99.9 | 0 | 0 | 0 | 112.1 | L42 F45 H46 M73 A77 L80 I104 L112 | L42-Y108 HydrophobicContact CD1-CD2 3.86Å; F45-Y108 HydrophobicContact CE1-CE2 4.17Å; H46-Y108 PolarHBondContact CE1-O 3.42Å; M73-Y108 VanDerWaalsContact CB-OH 3.28Å; M73-Y108 WeakPolarHBondContact CB-OH 3.28Å; A77-Y108 HydrophobicContact CB-CD1 3.98Å; A77-Y108 HydrophobicContact CB-CE1 4Å; L80-Y108 HydrophobicContact CD1-CE1 4.19Å; I104-Y108 HydrophobicContact CD1-CD1 3.87Å; I104-Y108 HydrophobicContact CD1-CG 3.78Å; I104-Y108 HydrophobicContact CG1-CD1 3.94Å; I104-Y108 HydrophobicContact CG1-CG 4.25Å; I104-Y108 CarbonylContact O-C 3.57Å; I104-Y108 WeakPolarHBondContact O-CA 3.35Å; I104-Y108 WeakPolarHBondContact O-CB 3.38Å; I104-Y108 PolarHBondContact O-N 2.91Å; Y108-L112 HydrophobicContact CD1-CD1 3.99Å; Y108-L112 HydrophobicContact CD2-CD1 4.01Å; Y108-L112 HydrophobicContact CE1-CD1 3.75Å; Y108-L112 HydrophobicContact CE2-CD1 3.78Å; Y108-L112 HydrophobicContact CG-CD1 4.12Å; Y108-L112 WeakPolarHBondContact O-CD1 3.37Å; Y108-L112 WeakPolarHBondContact O-CG 3.19Å |
| 109 | S | 93.6 | Very high | 91.4 | Very high | 10 Ų | 10 | 46 Ų | 46 | 7% | 0.07 | 26% | 0.259 | C | S | . | . | I | π-helix | trans | -72.9 | -44.4 | -170.8 | -59.4 | 0 | 0 | 0 | 0 | 113.7 | A77 I104 S105 L112 L113 | A77-S109 WeakPolarHBondContact CB-OG 3.22Å; I104-S109 PolarHBondContact O-N 3.16Å; S105-S109 WeakPolarHBondContact O-CB 3.12Å; S105-S109 PolarHBondContact O-N 3.46Å; S109-L112 PolarHBondContact O-N 3.11Å; S109-L113 WeakPolarHBondContact O-CB 3.45Å; S109-L113 WeakPolarHBondContact O-CG 3.41Å; S109-L113 PolarHBondContact O-N 3.48Å |
| 110 | I | 93.3 | Very high | 91.7 | Very high | 71 Ų | 71 | 43 Ų | 43 | 36% | 0.364 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -59 | -50.3 | -177.2 | -72.9 | 178.3 | 0 | 0 | 0 | 112.4 | S105 L106 L112 L113 L114 | S105-I110 WeakPolarHBondContact O-CG1 3.33Å; S105-I110 PolarHBondContact O-N 3.31Å; L106-I110 HydrophobicContact CD2-CD1 3.69Å; I110-L112 VanDerWaalsContact C-N 3.26Å; I110-L112 PolarHBondContact O-N 2.86Å; I110-L113 PolarHBondContact O-N 3.37Å; I110-L114 HydrophobicContact CG2-CD1 4.05Å; I110-L114 HydrophobicContact CG2-CG 4.35Å; I110-L114 WeakPolarHBondContact O-CG 3.43Å; I110-L114 PolarHBondContact O-N 2.88Å |
| 111 | P | 93 | Very high | 92.1 | Very high | 38 Ų | 38 | 38.4 Ų | 38.4 | 25% | 0.247 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.7 | -34.5 | 177.1 | -26.1 | 35.9 | 0 | 0 | 0 | 113.4 | V107 N115 | V107-P111 WeakPolarHBondContact O-CG 3.38Å; P111-N115 PolarHBondContact O-N 3.2Å; P111-N115 VanDerWaalsContact O-N 3.11Å; P111-N115 PolarHBondContact O-ND2 2.9Å |
| 112 | L | 93.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -69 | -44.5 | 175.3 | -64.6 | 171 | 0 | 0 | 0 | 111.3 | F45 M70 M73 V74 Y108 S109 I110 L114 N115 T116 | F45-L112 HydrophobicContact CE1-CD1 4.5Å; F45-L112 HydrophobicContact CE1-CD2 3.79Å; F45-L112 HydrophobicContact CZ-CD2 4.09Å; M70-L112 HydrophobicContact CE-CD2 4.47Å; M70-L112 HydrophobicContact SD-CD2 3.31Å; M70-L112 WeakPolarHBondContact SD-CD2 3.49Å; M70-L112 HydrophobicContact SD-CG 4.48Å; M73-L112 HydrophobicContact CB-CD1 4.34Å; V74-L112 HydrophobicContact CG2-CB 3.66Å; V74-L112 HydrophobicContact CG2-CD1 4.06Å; Y108-L112 HydrophobicContact CD1-CD1 3.99Å; Y108-L112 HydrophobicContact CD2-CD1 4.01Å; Y108-L112 HydrophobicContact CE1-CD1 3.75Å; Y108-L112 HydrophobicContact CE2-CD1 3.78Å; Y108-L112 HydrophobicContact CG-CD1 4.12Å; Y108-L112 WeakPolarHBondContact O-CD1 3.37Å; Y108-L112 WeakPolarHBondContact O-CG 3.19Å; S109-L112 PolarHBondContact O-N 3.11Å; I110-L112 VanDerWaalsContact C-N 3.26Å; I110-L112 PolarHBondContact O-N 2.86Å; L112-L114 PolarHBondContact O-N 3.32Å; L112-N115 WeakPolarHBondContact O-CB 3.36Å; L112-N115 PolarHBondContact O-N 2.68Å; L112-N115 VanDerWaalsContact O-N 3.16Å; L112-T116 WeakPolarHBondContact O-CG2 3.46Å; L112-T116 PolarHBondContact O-N 3.07Å |
| 113 | L | 93.8 | Very high | 92.3 | Very high | 77 Ų | 77 | 39.1 Ų | 39.1 | 40% | 0.403 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -60.6 | -44.6 | 176 | -74.3 | 171.9 | 0 | 0 | 0 | 111.3 | V74 S109 I110 N115 T116 I117 | V74-L113 HydrophobicContact CG1-CD1 4.49Å; V74-L113 HydrophobicContact CG1-CD2 4.1Å; V74-L113 HydrophobicContact CG1-CG 4.23Å; V74-L113 HydrophobicContact CG2-CD2 4.39Å; V74-L113 HydrophobicContact CG2-CG 4.29Å; S109-L113 WeakPolarHBondContact O-CB 3.45Å; S109-L113 WeakPolarHBondContact O-CG 3.41Å; S109-L113 PolarHBondContact O-N 3.48Å; I110-L113 PolarHBondContact O-N 3.37Å; L113-N115 VanDerWaalsContact C-N 3.3Å; L113-N115 PolarHBondContact O-N 3.29Å; L113-T116 WeakPolarHBondContact CA-OG1 3.27Å; L113-T116 PolarHBondContact O-N 3.44Å; L113-T116 VanDerWaalsContact O-N 3.07Å; L113-T116 PolarHBondContact O-OG1 3.17Å; L113-I117 WeakPolarHBondContact O-CG1 3.47Å; L113-I117 PolarHBondContact O-N 3.31Å |
| 114 | L | 93.3 | Very high | 92.3 | Very high | 98 Ų | 98 | 42.2 Ų | 42.2 | 51% | 0.513 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -58 | -43.1 | 174.3 | -71.1 | 175 | 0 | 0 | 0 | 111.7 | I110 L112 T116 I117 I118 | I110-L114 HydrophobicContact CG2-CD1 4.05Å; I110-L114 HydrophobicContact CG2-CG 4.35Å; I110-L114 WeakPolarHBondContact O-CG 3.43Å; I110-L114 PolarHBondContact O-N 2.88Å; L112-L114 PolarHBondContact O-N 3.32Å; L114-T116 PolarHBondContact O-N 3.44Å; L114-I117 PolarHBondContact O-N 3.15Å; L114-I118 VanDerWaalsContact O-CG1 3.31Å; L114-I118 WeakPolarHBondContact O-CG1 3.32Å; L114-I118 PolarHBondContact O-N 3.24Å |
| 115 | N | 92.6 | Very high | 92.1 | Very high | 4 Ų | 4 | 49.4 Ų | 49.4 | 2% | 0.021 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.1 | -45.5 | 172.9 | -84.7 | -58.7 | 0 | 0 | 0 | 112.1 | L50 P111 L112 L113 I117 I118 I119 | L50-N115 WeakPolarHBondContact CD2-OD1 3.44Å; L50-N115 WeakPolarHBondContact CG-OD1 3.33Å; P111-N115 PolarHBondContact O-N 3.2Å; P111-N115 VanDerWaalsContact O-N 3.11Å; P111-N115 PolarHBondContact O-ND2 2.9Å; L112-N115 WeakPolarHBondContact O-CB 3.36Å; L112-N115 PolarHBondContact O-N 2.68Å; L112-N115 VanDerWaalsContact O-N 3.16Å; L113-N115 VanDerWaalsContact C-N 3.3Å; L113-N115 PolarHBondContact O-N 3.29Å; N115-I117 VanDerWaalsContact C-N 3.34Å; N115-I117 PolarHBondContact O-N 3.15Å; N115-I118 PolarHBondContact O-N 3.32Å; N115-I119 WeakPolarHBondContact O-CG1 3.29Å; N115-I119 PolarHBondContact O-N 3.16Å |
| 116 | T | 93.3 | Very high | 91.9 | Very high | 10 Ų | 10 | 54.3 Ų | 54.3 | 6% | 0.061 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.4 | -37.7 | 178.2 | 63.4 | 0 | 0 | 0 | 0 | 112.6 | F67 M70 V71 L112 L113 L114 I119 V120 | F67-T116 HydrophobicContact CD2-CG2 4.16Å; F67-T116 HydrophobicContact CE2-CG2 4.36Å; M70-T116 HydrophobicContact CB-CG2 3.49Å; M70-T116 VanDerWaalsContact CB-CG2 3.49Å; M70-T116 HydrophobicContact CG-CG2 4.28Å; V71-T116 HydrophobicContact CG2-CG2 4.34Å; L112-T116 WeakPolarHBondContact O-CG2 3.46Å; L112-T116 PolarHBondContact O-N 3.07Å; L113-T116 WeakPolarHBondContact CA-OG1 3.27Å; L113-T116 PolarHBondContact O-N 3.44Å; L113-T116 VanDerWaalsContact O-N 3.07Å; L113-T116 PolarHBondContact O-OG1 3.17Å; L114-T116 PolarHBondContact O-N 3.44Å; T116-I119 WeakPolarHBondContact O-CB 3.45Å; T116-I119 PolarHBondContact O-N 3.42Å; T116-V120 WeakPolarHBondContact O-CG2 3.08Å; T116-V120 PolarHBondContact O-N 2.9Å |
| 117 | I | 93.9 | Very high | 91.8 | Very high | 103 Ų | 103 | 56.8 Ų | 56.8 | 53% | 0.528 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -63.4 | -43.1 | 175.9 | -69 | 166.1 | 0 | 0 | 0 | 110.4 | L113 L114 N115 I119 V120 A121 | L113-I117 WeakPolarHBondContact O-CG1 3.47Å; L113-I117 PolarHBondContact O-N 3.31Å; L114-I117 PolarHBondContact O-N 3.15Å; N115-I117 VanDerWaalsContact C-N 3.34Å; N115-I117 PolarHBondContact O-N 3.15Å; I117-I119 VanDerWaalsContact C-N 3.32Å; I117-I119 PolarHBondContact O-N 3.45Å; I117-V120 PolarHBondContact O-N 3.12Å; I117-A121 WeakPolarHBondContact O-CB 3.42Å; I117-A121 PolarHBondContact O-N 3.04Å |
| 118 | I | 90.9 | Very high | 91.7 | Very high | 70 Ų | 70 | 62 Ų | 62 | 36% | 0.359 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60.7 | -43.3 | 176.2 | -67.6 | 164.3 | 0 | 0 | 0 | 110.8 | T53 L114 N115 A121 L122 | T53-I118 HydrophobicContact CG2-CG2 4.48Å; L114-I118 VanDerWaalsContact O-CG1 3.31Å; L114-I118 WeakPolarHBondContact O-CG1 3.32Å; L114-I118 PolarHBondContact O-N 3.24Å; N115-I118 PolarHBondContact O-N 3.32Å; I118-A121 PolarHBondContact O-N 2.91Å; I118-L122 HydrophobicContact CG2-CD1 4.11Å; I118-L122 WeakPolarHBondContact O-CB 3.18Å; I118-L122 WeakPolarHBondContact O-CG 3.39Å; I118-L122 PolarHBondContact O-N 3.02Å |
| 119 | I | 91.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -59.6 | -50.1 | 176.4 | -71.9 | 167.5 | 0 | 0 | 0 | 110.9 | T53 Q63 F67 N115 T116 I117 A121 L122 W123 | T53-I119 HydrophobicContact CG2-CD1 4.17Å; T53-I119 HydrophobicContact CG2-CG1 3.65Å; Q63-I119 HydrophobicContact CG-CD1 4.48Å; Q63-I119 HydrophobicContact CG-CG1 4.17Å; Q63-I119 HydrophobicContact CG-CG2 3.79Å; F67-I119 HydrophobicContact CB-CG2 4.28Å; F67-I119 HydrophobicContact CD2-CG2 4.29Å; N115-I119 WeakPolarHBondContact O-CG1 3.29Å; N115-I119 PolarHBondContact O-N 3.16Å; T116-I119 WeakPolarHBondContact O-CB 3.45Å; T116-I119 PolarHBondContact O-N 3.42Å; I117-I119 VanDerWaalsContact C-N 3.32Å; I117-I119 PolarHBondContact O-N 3.45Å; I119-A121 PolarHBondContact O-N 3.27Å; I119-L122 WeakPolarHBondContact O-CB 3.41Å; I119-L122 PolarHBondContact O-N 2.85Å; I119-W123 HydrophobicContact CG2-CD2 4.06Å; I119-W123 HydrophobicContact CG2-CE3 4.41Å; I119-W123 HydrophobicContact CG2-CH2 4.03Å; I119-W123 HydrophobicContact CG2-CZ2 3.63Å; I119-W123 HydrophobicContact CG2-CZ3 4.4Å; I119-W123 PolarHBondContact O-N 3.15Å |
| 120 | V | 92.6 | Very high | 91.1 | Very high | 59 Ų | 59 | 67.4 Ų | 67.4 | 36% | 0.358 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.3 | -44.9 | -179.9 | 171.5 | 0 | 0 | 0 | 0 | 110.8 | F67 T116 I117 L122 W123 V124 | F67-V120 HydrophobicContact CD2-CG2 4.29Å; F67-V120 HydrophobicContact CE2-CG2 3.71Å; F67-V120 HydrophobicContact CZ-CG2 4.39Å; T116-V120 WeakPolarHBondContact O-CG2 3.08Å; T116-V120 PolarHBondContact O-N 2.9Å; I117-V120 PolarHBondContact O-N 3.12Å; V120-L122 VanDerWaalsContact C-N 3.35Å; V120-L122 PolarHBondContact O-N 2.73Å; V120-W123 WeakPolarHBondContact O-CB 3.27Å; V120-W123 PolarHBondContact O-N 3.46Å; V120-W123 VanDerWaalsContact O-N 3.14Å; V120-V124 HydrophobicContact CG1-CG2 4.35Å; V120-V124 WeakPolarHBondContact O-CG2 3.33Å; V120-V124 PolarHBondContact O-N 2.97Å |
| 121 | A | 91.4 | Very high | 90.8 | Very high | 37 Ų | 37 | 68.7 Ų | 68.7 | 31% | 0.306 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -57.3 | -48.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111 | I117 I118 I119 W123 V124 Y125 | I117-A121 WeakPolarHBondContact O-CB 3.42Å; I117-A121 PolarHBondContact O-N 3.04Å; I118-A121 PolarHBondContact O-N 2.91Å; I119-A121 PolarHBondContact O-N 3.27Å; A121-W123 VanDerWaalsContact C-N 3.31Å; A121-W123 PolarHBondContact O-N 2.95Å; A121-V124 PolarHBondContact O-N 3.05Å; A121-V124 VanDerWaalsContact O-N 3.16Å; A121-Y125 HydrophobicContact CB-CD2 4.47Å; A121-Y125 HydrophobicContact CB-CE2 4.1Å; A121-Y125 WeakPolarHBondContact O-CD2 3.15Å; A121-Y125 PolarHBondContact O-N 2.91Å |
| 122 | L | 89.4 | Confident | 90.7 | Very high | 49 Ų | 49 | 72.3 Ų | 72.3 | 26% | 0.257 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -57.5 | -41.8 | 175.8 | -76.1 | 168.9 | 0 | 0 | 0 | 112.4 | R57 I118 I119 V120 Y125 R126 | R57-L122 HydrophobicContact CG-CD1 4.24Å; I118-L122 HydrophobicContact CG2-CD1 4.11Å; I118-L122 WeakPolarHBondContact O-CB 3.18Å; I118-L122 WeakPolarHBondContact O-CG 3.39Å; I118-L122 PolarHBondContact O-N 3.02Å; I119-L122 WeakPolarHBondContact O-CB 3.41Å; I119-L122 PolarHBondContact O-N 2.85Å; V120-L122 VanDerWaalsContact C-N 3.35Å; V120-L122 PolarHBondContact O-N 2.73Å; L122-Y125 PolarHBondContact O-N 2.9Å; L122-R126 WeakPolarHBondContact O-CB 3.45Å; L122-R126 WeakPolarHBondContact O-CG 3.28Å; L122-R126 PolarHBondContact O-N 2.88Å |
| 123 | W | 90.4 | Very high | 90.5 | Very high | 55 Ų | 55 | 78 Ų | 78 | 21% | 0.208 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -63.8 | -43.1 | 175.7 | -70.9 | -9.5 | 0 | 0 | 0 | 112.7 | Q63 I64 F67 I119 V120 A121 R126 T127 | Q63-W123 HydrophobicContact CB-CZ2 4.3Å; Q63-W123 HydrophobicContact CG-CZ2 4.19Å; I64-W123 HydrophobicContact CB-CH2 4.38Å; I64-W123 HydrophobicContact CB-CZ2 4.33Å; I64-W123 HydrophobicContact CG1-CH2 3.88Å; I64-W123 HydrophobicContact CG1-CZ2 3.69Å; F67-W123 HydrophobicContact CB-CH2 3.79Å; F67-W123 HydrophobicContact CB-CZ2 4.37Å; F67-W123 HydrophobicContact CD1-CH2 4.17Å; F67-W123 HydrophobicContact CD1-CZ3 4.38Å; F67-W123 AromaticContact CG-CH2 3.91Å; F67-W123 HydrophobicContact CG-CH2 3.91Å; F67-W123 HydrophobicContact CG-CZ3 4.27Å; I119-W123 HydrophobicContact CG2-CD2 4.06Å; I119-W123 HydrophobicContact CG2-CE3 4.41Å; I119-W123 HydrophobicContact CG2-CH2 4.03Å; I119-W123 HydrophobicContact CG2-CZ2 3.63Å; I119-W123 HydrophobicContact CG2-CZ3 4.4Å; I119-W123 PolarHBondContact O-N 3.15Å; V120-W123 WeakPolarHBondContact O-CB 3.27Å; V120-W123 PolarHBondContact O-N 3.46Å; V120-W123 VanDerWaalsContact O-N 3.14Å; A121-W123 VanDerWaalsContact C-N 3.31Å; A121-W123 PolarHBondContact O-N 2.95Å; W123-R126 PolarHBondContact O-N 3.06Å; W123-T127 VanDerWaalsContact O-CB 3.31Å; W123-T127 WeakPolarHBondContact O-CB 3.37Å; W123-T127 PolarHBondContact O-N 3.13Å; W123-T127 PolarHBondContact O-OG1 2.9Å |
| 124 | V | 91.3 | Very high | 90.2 | Very high | 66 Ų | 66 | 78.9 Ų | 78.9 | 40% | 0.4 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -59.9 | -50.8 | 177.2 | 171.5 | 0 | 0 | 0 | 0 | 109.8 | V120 A121 R126 T127 F128 | V120-V124 HydrophobicContact CG1-CG2 4.35Å; V120-V124 WeakPolarHBondContact O-CG2 3.33Å; V120-V124 PolarHBondContact O-N 2.97Å; A121-V124 PolarHBondContact O-N 3.05Å; A121-V124 VanDerWaalsContact O-N 3.16Å; V124-R126 PolarHBondContact O-N 3.36Å; V124-T127 PolarHBondContact O-N 3.5Å; V124-F128 HydrophobicContact CG1-CD2 3.6Å; V124-F128 HydrophobicContact CG1-CE2 3.37Å; V124-F128 WeakPolarHBondContact O-CD2 3.41Å; V124-F128 PolarHBondContact O-N 3.17Å |
| 125 | Y | 88.9 | Confident | 90.1 | Very high | 166 Ų | 166 | 80 Ų | 80 | 65% | 0.651 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -56.9 | -47.2 | 176.3 | -69.4 | -65.1 | 0 | 0 | 0 | 112.2 | A121 L122 T127 F128 S129 | A121-Y125 HydrophobicContact CB-CD2 4.47Å; A121-Y125 HydrophobicContact CB-CE2 4.1Å; A121-Y125 WeakPolarHBondContact O-CD2 3.15Å; A121-Y125 PolarHBondContact O-N 2.91Å; L122-Y125 PolarHBondContact O-N 2.9Å; Y125-T127 PolarHBondContact O-N 3.37Å; Y125-F128 PolarHBondContact O-N 2.79Å; Y125-S129 PolarHBondContact O-N 3.38Å; Y125-S129 PolarHBondContact O-OG 3.45Å; Y125-S129 VanDerWaalsContact O-OG 3.12Å |
| 126 | R | 86.6 | Confident | 89.9 | Confident | 160 Ų | 160 | 83.8 Ų | 83.8 | 60% | 0.604 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -62.1 | -41.3 | 178.4 | -72 | -72.3 | -168.5 | -175.8 | 2 | 112.6 | L122 W123 V124 S129 T130 | L122-R126 WeakPolarHBondContact O-CB 3.45Å; L122-R126 WeakPolarHBondContact O-CG 3.28Å; L122-R126 PolarHBondContact O-N 2.88Å; W123-R126 PolarHBondContact O-N 3.06Å; V124-R126 PolarHBondContact O-N 3.36Å; R126-S129 PolarHBondContact O-N 3.06Å; R126-T130 WeakPolarHBondContact O-CB 3.37Å; R126-T130 PolarHBondContact O-N 2.87Å; R126-T130 PolarHBondContact O-OG1 2.96Å |
| 127 | T | 88.4 | Confident | 89.8 | Confident | 84 Ų | 84 | 86.9 Ų | 86.9 | 52% | 0.515 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -64.7 | -44.5 | 179.6 | -58.1 | 0 | 0 | 0 | 0 | 110.4 | W123 V124 Y125 T130 M131 | W123-T127 VanDerWaalsContact O-CB 3.31Å; W123-T127 WeakPolarHBondContact O-CB 3.37Å; W123-T127 PolarHBondContact O-N 3.13Å; W123-T127 PolarHBondContact O-OG1 2.9Å; V124-T127 PolarHBondContact O-N 3.5Å; Y125-T127 PolarHBondContact O-N 3.37Å; T127-T130 PolarHBondContact O-N 3Å; T127-M131 VanDerWaalsContact O-CB 3.32Å; T127-M131 WeakPolarHBondContact O-CB 3.23Å; T127-M131 PolarHBondContact O-N 3.39Å |
| 128 | F | 90.3 | Very high | 89.6 | Confident | 122 Ų | 122 | 87.5 Ų | 87.5 | 54% | 0.535 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -61.8 | -47.9 | 174.6 | -79.8 | -63.3 | 0 | 0 | 0 | 112.2 | V124 Y125 T130 M131 I132 | V124-F128 HydrophobicContact CG1-CD2 3.6Å; V124-F128 HydrophobicContact CG1-CE2 3.37Å; V124-F128 WeakPolarHBondContact O-CD2 3.41Å; V124-F128 PolarHBondContact O-N 3.17Å; Y125-F128 PolarHBondContact O-N 2.79Å; F128-T130 VanDerWaalsContact C-N 3.33Å; F128-T130 PolarHBondContact O-N 3.29Å; F128-M131 PolarHBondContact O-N 3.12Å; F128-I132 VanDerWaalsContact O-CG1 3.27Å; F128-I132 WeakPolarHBondContact O-CG1 3.36Å; F128-I132 PolarHBondContact O-N 3.1Å |
| 129 | S | 87.8 | Confident | 89.7 | Confident | 75 Ų | 75 | 90 Ų | 90 | 52% | 0.524 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -58.9 | -44.6 | 177.5 | -58.7 | 0 | 0 | 0 | 0 | 112.1 | Y125 R126 I132 E133 | Y125-S129 PolarHBondContact O-N 3.38Å; Y125-S129 PolarHBondContact O-OG 3.45Å; Y125-S129 VanDerWaalsContact O-OG 3.12Å; R126-S129 PolarHBondContact O-N 3.06Å; S129-I132 PolarHBondContact O-N 2.68Å; S129-E133 WeakPolarHBondContact O-CB 3.27Å; S129-E133 PolarHBondContact O-N 3.42Å |
| 130 | T | 86.9 | Confident | 89.6 | Confident | 72 Ų | 72 | 97.2 Ų | 97.2 | 44% | 0.442 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.8 | -41.3 | 178.4 | -52.8 | 0 | 0 | 0 | 0 | 111.1 | R126 T127 F128 E133 L134 | R126-T130 WeakPolarHBondContact O-CB 3.37Å; R126-T130 PolarHBondContact O-N 2.87Å; R126-T130 PolarHBondContact O-OG1 2.96Å; T127-T130 PolarHBondContact O-N 3Å; F128-T130 VanDerWaalsContact C-N 3.33Å; F128-T130 PolarHBondContact O-N 3.29Å; T130-E133 PolarHBondContact O-N 2.9Å; T130-L134 HydrophobicContact CG2-CD1 4.1Å; T130-L134 HydrophobicContact CG2-CG 4.36Å; T130-L134 WeakPolarHBondContact O-CB 3.37Å; T130-L134 VanDerWaalsContact O-CG 3.24Å; T130-L134 WeakPolarHBondContact O-CG 3.37Å; T130-L134 PolarHBondContact O-N 2.89Å |
| 131 | M | 87.6 | Confident | 89.6 | Confident | 98 Ų | 98 | 102.8 Ų | 102.8 | 48% | 0.483 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.5 | -43.5 | 177.3 | -174 | -178.5 | -63.9 | 0 | 0 | 111.7 | T127 F128 E133 L134 K135 | T127-M131 VanDerWaalsContact O-CB 3.32Å; T127-M131 WeakPolarHBondContact O-CB 3.23Å; T127-M131 PolarHBondContact O-N 3.39Å; F128-M131 PolarHBondContact O-N 3.12Å; M131-E133 VanDerWaalsContact C-N 3.34Å; M131-L134 PolarHBondContact O-N 3.31Å; M131-K135 HydrophobicContact CG-CG 4.49Å; M131-K135 WeakPolarHBondContact O-CB 3.11Å; M131-K135 VanDerWaalsContact O-CG 3.24Å; M131-K135 WeakPolarHBondContact O-CG 3.4Å; M131-K135 PolarHBondContact O-N 2.89Å |
| 132 | I | 90.1 | Very high | 89.5 | Confident | 113 Ų | 113 | 107.2 Ų | 107.2 | 58% | 0.579 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.6 | -44.4 | 176.5 | -68.1 | 165 | 0 | 0 | 0 | 110.3 | F128 S129 K135 T136 | F128-I132 VanDerWaalsContact O-CG1 3.27Å; F128-I132 WeakPolarHBondContact O-CG1 3.36Å; F128-I132 PolarHBondContact O-N 3.1Å; S129-I132 PolarHBondContact O-N 2.68Å; I132-K135 PolarHBondContact O-N 3.12Å; I132-T136 WeakPolarHBondContact O-CB 3.32Å; I132-T136 PolarHBondContact O-N 3.39Å; I132-T136 PolarHBondContact O-OG1 3.47Å |
| 133 | E | 89.9 | Confident | 89.6 | Confident | 119 Ų | 119 | 107 Ų | 107 | 56% | 0.556 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.1 | -46.5 | 176.5 | -172.7 | 178.5 | 177.6 | 0 | 0 | 111.7 | S129 T130 M131 K135 T136 L137 | S129-E133 WeakPolarHBondContact O-CB 3.27Å; S129-E133 PolarHBondContact O-N 3.42Å; T130-E133 PolarHBondContact O-N 2.9Å; M131-E133 VanDerWaalsContact C-N 3.34Å; E133-K135 PolarHBondContact O-N 3.45Å; E133-T136 WeakPolarHBondContact O-CB 3.4Å; E133-T136 PolarHBondContact O-N 3.31Å; E133-L137 HydrophobicContact CG-CD1 4.2Å; E133-L137 WeakPolarHBondContact O-CB 3.36Å; E133-L137 WeakPolarHBondContact O-CG 3.49Å; E133-L137 PolarHBondContact O-N 2.82Å |
| 134 | L | 88.5 | Confident | 89.5 | Confident | 96 Ų | 96 | 113.2 Ų | 113.2 | 50% | 0.503 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61.9 | -42.7 | 177.4 | -72 | 174.8 | 0 | 0 | 0 | 112.2 | T130 M131 T136 L137 Q138 | T130-L134 HydrophobicContact CG2-CD1 4.1Å; T130-L134 HydrophobicContact CG2-CG 4.36Å; T130-L134 WeakPolarHBondContact O-CB 3.37Å; T130-L134 VanDerWaalsContact O-CG 3.24Å; T130-L134 WeakPolarHBondContact O-CG 3.37Å; T130-L134 PolarHBondContact O-N 2.89Å; M131-L134 PolarHBondContact O-N 3.31Å; L134-T136 VanDerWaalsContact C-N 3.32Å; L134-T136 PolarHBondContact O-N 3.42Å; L134-L137 PolarHBondContact O-N 2.97Å; L134-Q138 WeakPolarHBondContact O-CB 3.5Å; L134-Q138 VanDerWaalsContact O-CG 3.27Å; L134-Q138 WeakPolarHBondContact O-CG 3.44Å; L134-Q138 PolarHBondContact O-N 3.47Å |
| 135 | K | 89.7 | Confident | 89.4 | Confident | 122 Ų | 122 | 119.1 Ų | 119.1 | 53% | 0.53 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -61.9 | -41.9 | 175 | -72.1 | -72.2 | -176.7 | -176.8 | 0 | 111.2 | M131 I132 E133 Q138 L139 | M131-K135 HydrophobicContact CG-CG 4.49Å; M131-K135 WeakPolarHBondContact O-CB 3.11Å; M131-K135 VanDerWaalsContact O-CG 3.24Å; M131-K135 WeakPolarHBondContact O-CG 3.4Å; M131-K135 PolarHBondContact O-N 2.89Å; I132-K135 PolarHBondContact O-N 3.12Å; E133-K135 PolarHBondContact O-N 3.45Å; K135-Q138 PolarHBondContact O-N 2.94Å; K135-L139 WeakPolarHBondContact O-CG 3.49Å; K135-L139 PolarHBondContact O-N 3.31Å |
| 136 | T | 89.6 | Confident | 89.3 | Confident | 84 Ų | 84 | 116 Ų | 116 | 52% | 0.515 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63.3 | -44.1 | 176.7 | -54.6 | 0 | 0 | 0 | 0 | 111.3 | I132 E133 L134 L139 K140 | I132-T136 WeakPolarHBondContact O-CB 3.32Å; I132-T136 PolarHBondContact O-N 3.39Å; I132-T136 PolarHBondContact O-OG1 3.47Å; E133-T136 WeakPolarHBondContact O-CB 3.4Å; E133-T136 PolarHBondContact O-N 3.31Å; L134-T136 VanDerWaalsContact C-N 3.32Å; L134-T136 PolarHBondContact O-N 3.42Å; T136-L139 PolarHBondContact O-N 3.45Å; T136-K140 WeakPolarHBondContact O-CB 3.48Å; T136-K140 PolarHBondContact O-N 2.99Å |
| 137 | L | 90.8 | Very high | 89.3 | Confident | 74 Ų | 74 | 115 Ų | 115 | 39% | 0.387 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -66.7 | -38.4 | 176.6 | -70.7 | 174.2 | 0 | 0 | 0 | 112.4 | E133 L134 K140 R141 | E133-L137 HydrophobicContact CG-CD1 4.2Å; E133-L137 WeakPolarHBondContact O-CB 3.36Å; E133-L137 WeakPolarHBondContact O-CG 3.49Å; E133-L137 PolarHBondContact O-N 2.82Å; L134-L137 PolarHBondContact O-N 2.97Å; L137-K140 PolarHBondContact O-N 2.92Å; L137-R141 WeakPolarHBondContact O-CB 3.32Å; L137-R141 VanDerWaalsContact O-CG 3.3Å; L137-R141 WeakPolarHBondContact O-CG 3.4Å; L137-R141 PolarHBondContact O-N 2.78Å |
| 138 | Q | 90.4 | Very high | 88.9 | Confident | 116 Ų | 116 | 114.3 Ų | 114.3 | 54% | 0.542 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -62.3 | -45.9 | 174.8 | -78.3 | 179.1 | -18.6 | 0 | 0 | 111.5 | L134 K135 R141 K142 | L134-Q138 WeakPolarHBondContact O-CB 3.5Å; L134-Q138 VanDerWaalsContact O-CG 3.27Å; L134-Q138 WeakPolarHBondContact O-CG 3.44Å; L134-Q138 PolarHBondContact O-N 3.47Å; K135-Q138 PolarHBondContact O-N 2.94Å; Q138-R141 PolarHBondContact O-N 3.21Å; Q138-K142 WeakPolarHBondContact O-CB 3.35Å; Q138-K142 PolarHBondContact O-N 3.38Å |
| 139 | L | 91.6 | Very high | 88.4 | Confident | 123 Ų | 123 | 116.7 Ų | 116.7 | 64% | 0.644 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -61.3 | -45.7 | 176.1 | -73.5 | 168 | 0 | 0 | 0 | 111.4 | K135 T136 R141 K142 A143 | K135-L139 WeakPolarHBondContact O-CG 3.49Å; K135-L139 PolarHBondContact O-N 3.31Å; T136-L139 PolarHBondContact O-N 3.45Å; L139-R141 VanDerWaalsContact C-N 3.34Å; L139-R141 PolarHBondContact O-N 3.28Å; L139-K142 PolarHBondContact O-N 3.16Å; L139-A143 PolarHBondContact O-N 3Å |
| 140 | K | 90.2 | Very high | 87.7 | Confident | 151 Ų | 151 | 121.6 Ų | 121.6 | 66% | 0.657 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -61.4 | -40.5 | 177 | -169.6 | 173.8 | -176.6 | 176.1 | 0 | 112.4 | T136 L137 R144 | T136-K140 WeakPolarHBondContact O-CB 3.48Å; T136-K140 PolarHBondContact O-N 2.99Å; L137-K140 PolarHBondContact O-N 2.92Å; K140-R144 PolarHBondContact O-N 3.13Å; K140-R144 VanDerWaalsContact O-N 3.14Å |
| 141 | R | 91 | Very high | 86.8 | Confident | 176 Ų | 176 | 124.1 Ų | 124.1 | 66% | 0.664 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -66.2 | -39.6 | 175.2 | -76 | 177 | -179.2 | -175.9 | 1.7 | 112 | L137 Q138 L139 R145 | L137-R141 WeakPolarHBondContact O-CB 3.32Å; L137-R141 VanDerWaalsContact O-CG 3.3Å; L137-R141 WeakPolarHBondContact O-CG 3.4Å; L137-R141 PolarHBondContact O-N 2.78Å; Q138-R141 PolarHBondContact O-N 3.21Å; L139-R141 VanDerWaalsContact C-N 3.34Å; L139-R141 PolarHBondContact O-N 3.28Å; R141-R145 WeakPolarHBondContact O-CG 3.46Å; R141-R145 PolarHBondContact O-N 2.85Å; R141-R145 VanDerWaalsContact O-N 3.17Å |
| 142 | K | 90.8 | Very high | 85.2 | Confident | 131 Ų | 131 | 128.5 Ų | 128.5 | 57% | 0.57 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -65 | -47.7 | 177.5 | -168.9 | 179 | 177.4 | -172.8 | 0 | 111.3 | Q138 L139 R144 R145 E146 | Q138-K142 WeakPolarHBondContact O-CB 3.35Å; Q138-K142 PolarHBondContact O-N 3.38Å; L139-K142 PolarHBondContact O-N 3.16Å; K142-R144 VanDerWaalsContact C-N 3.33Å; K142-R144 PolarHBondContact O-N 3.27Å; K142-R145 PolarHBondContact O-N 2.88Å; K142-R145 VanDerWaalsContact O-N 3.14Å; K142-E146 VanDerWaalsContact CE-OE1 3.27Å; K142-E146 WeakPolarHBondContact CE-OE1 3.46Å; K142-E146 PolarHBondContact O-N 3.15Å |
| 143 | A | 89.9 | Confident | 85 | Confident | 44 Ų | 44 | 129.3 Ų | 129.3 | 36% | 0.364 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -58.9 | -41.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L139 R145 E146 Q147 | L139-A143 PolarHBondContact O-N 3Å; A143-R145 PolarHBondContact O-N 3.45Å; A143-E146 PolarHBondContact O-N 2.85Å; A143-Q147 WeakPolarHBondContact O-CG 3.4Å; A143-Q147 PolarHBondContact O-N 3.39Å |
| 144 | R | 89.3 | Confident | 84.7 | Confident | 186 Ų | 186 | 129.8 Ų | 129.8 | 70% | 0.702 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -63.5 | -39 | 176.1 | -176.9 | 179 | -82.5 | -117.5 | 0.1 | 112.6 | K140 K142 Q147 S148 | K140-R144 PolarHBondContact O-N 3.13Å; K140-R144 VanDerWaalsContact O-N 3.14Å; K142-R144 VanDerWaalsContact C-N 3.33Å; K142-R144 PolarHBondContact O-N 3.27Å; R144-Q147 PolarHBondContact O-N 3.05Å; R144-S148 PolarHBondContact O-N 2.93Å |
| 145 | R | 88.9 | Confident | 84.5 | Confident | 190 Ų | 190 | 131.7 Ų | 131.7 | 72% | 0.717 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -66.2 | -38.9 | 176.1 | -72.4 | 176.2 | 178.3 | -173.7 | -1.7 | 111.9 | R141 K142 A143 K149 | R141-R145 WeakPolarHBondContact O-CG 3.46Å; R141-R145 PolarHBondContact O-N 2.85Å; R141-R145 VanDerWaalsContact O-N 3.17Å; K142-R145 PolarHBondContact O-N 2.88Å; K142-R145 VanDerWaalsContact O-N 3.14Å; A143-R145 PolarHBondContact O-N 3.45Å; R145-K149 PolarHBondContact O-N 3.34Å |
| 146 | E | 87.6 | Confident | 84.2 | Confident | 101 Ų | 101 | 132.2 Ų | 132.2 | 47% | 0.472 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -69.6 | -34.6 | 176.7 | -71.1 | 175.4 | -170 | 0 | 0 | 112.5 | K142 A143 K150 | K142-E146 VanDerWaalsContact CE-OE1 3.27Å; K142-E146 WeakPolarHBondContact CE-OE1 3.46Å; K142-E146 PolarHBondContact O-N 3.15Å; A143-E146 PolarHBondContact O-N 2.85Å; E146-K150 WeakPolarHBondContact O-CG 3.42Å; E146-K150 PolarHBondContact O-N 2.88Å |
| 147 | Q | 85.1 | Confident | 83.8 | Confident | 137 Ų | 137 | 135.3 Ų | 135.3 | 64% | 0.64 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -66.4 | -45.1 | 172.6 | -73.7 | 178.2 | 0.6 | 0 | 0 | 112 | A143 R144 K149 K150 T151 | A143-Q147 WeakPolarHBondContact O-CG 3.4Å; A143-Q147 PolarHBondContact O-N 3.39Å; R144-Q147 PolarHBondContact O-N 3.05Å; Q147-K149 VanDerWaalsContact C-N 3.3Å; Q147-K149 PolarHBondContact O-N 2.84Å; Q147-K150 PolarHBondContact O-N 2.64Å; Q147-K150 VanDerWaalsContact O-N 3.09Å; Q147-T151 PolarHBondContact O-N 3.13Å; Q147-T151 PolarHBondContact O-OG1 3.24Å |
| 148 | S | 81.8 | Confident | 83.4 | Confident | 70 Ų | 70 | 139.3 Ų | 139.3 | 49% | 0.49 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -58.9 | -40.4 | 177.1 | -166.6 | 0 | 0 | 0 | 0 | 112.3 | R144 K150 T151 D152 | R144-S148 PolarHBondContact O-N 2.93Å; S148-K150 PolarHBondContact O-N 3.21Å; S148-T151 PolarHBondContact O-N 2.88Å; S148-D152 PolarHBondContact O-N 3.46Å |
| 149 | K | 79.8 | Confident | 82.9 | Confident | 172 Ų | 172 | 141 Ų | 141 | 75% | 0.748 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -69.1 | -15.6 | 177.5 | -77.9 | -171.1 | 175.1 | -165.6 | 0 | 115.2 | R145 Q147 | R145-K149 PolarHBondContact O-N 3.34Å; Q147-K149 VanDerWaalsContact C-N 3.3Å; Q147-K149 PolarHBondContact O-N 2.84Å |
| 150 | K | 72.5 | Confident | 82.2 | Confident | 179 Ų | 179 | 142.4 Ų | 142.4 | 78% | 0.778 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -94.8 | -11.7 | 177.5 | -73.4 | -178.2 | 180 | -174.3 | 0 | 112.6 | E146 Q147 S148 | E146-K150 WeakPolarHBondContact O-CG 3.42Å; E146-K150 PolarHBondContact O-N 2.88Å; Q147-K150 PolarHBondContact O-N 2.64Å; Q147-K150 VanDerWaalsContact O-N 3.09Å; S148-K150 PolarHBondContact O-N 3.21Å |
| 151 | T | 68.7 | Low | 81.5 | Confident | 125 Ų | 125 | 141.7 Ų | 141.7 | 77% | 0.767 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -98 | -18.4 | -178.7 | -60.8 | 0 | 0 | 0 | 0 | 112.4 | Q147 S148 | Q147-T151 PolarHBondContact O-N 3.13Å; Q147-T151 PolarHBondContact O-OG1 3.24Å; S148-T151 PolarHBondContact O-N 2.88Å |
| 152 | D | 53.3 | Low | 80.7 | Confident | 189 Ų | 189 | 138.5 Ų | 138.5 | 100% | 1.011 | 66% | 0.66 | S | S | * | * | trans | -88.7 | 0 | 167.1 | -60.2 | -34.5 | 0 | 0 | 0 | 110.9 | S148 | S148-D152 PolarHBondContact O-N 3.46Š|
Retrieved 152 of 152 residues in 87 ms
(Link to these results)