| 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 | 52 | Low | 63.5 | Low | 244 Ų | 244 | 179 Ų | 179 | 100% | 1.202 | 84% | 0.842 | S | S | * | * | 0 | 121.8 | 0 | -60.9 | -178.2 | -158.2 | 0 | 0 | 107.7 | |||||
| 2 | S | 65.7 | Low | 62.8 | Low | 115 Ų | 115 | 173.2 Ų | 173.2 | 80% | 0.804 | 84% | 0.836 | S | S | * | * | trans | -88.4 | 117.1 | -167.4 | -178.6 | 0 | 0 | 0 | 0 | 111.4 | R4 | S2-R4 PolarHBondContact O-N 2.8Š| ||
| 3 | I | 65.5 | Low | 61.8 | Low | 154 Ų | 154 | 165.4 Ų | 165.4 | 79% | 0.79 | 83% | 0.828 | S | S | * | * | trans | -85 | 96 | 179.1 | -56.6 | 169.6 | 0 | 0 | 0 | 107.7 | R5 | I3-R5 PolarHBondContact O-N 3.47Š| ||
| 4 | R | 71 | Confident | 60.9 | Low | 235 Ų | 235 | 164.1 Ų | 164.1 | 89% | 0.887 | 82% | 0.818 | S | S | * | * | trans | -70.2 | 97.1 | 169.1 | -64.6 | -172.8 | -159.6 | -144.2 | 4.3 | 108.3 | S2 G6 | S2-R4 PolarHBondContact O-N 2.8Å; R4-G6 PolarHBondContact O-N 2.83Å | ||
| 5 | R | 68.9 | Low | 60.5 | Low | 229 Ų | 229 | 164.7 Ų | 164.7 | 86% | 0.864 | 83% | 0.826 | S | S | * | * | trans | -65.1 | 86 | 164.4 | -83 | 178.9 | 163.5 | 163 | -5.3 | 108.4 | I3 I7 | I3-R5 PolarHBondContact O-N 3.47Å; R5-I7 VanDerWaalsContact C-N 3.33Å; R5-I7 PolarHBondContact O-N 3.14Å | ||
| 6 | G | 68.6 | Low | 60.2 | Low | 67 Ų | 67 | 159.1 Ų | 159.1 | 69% | 0.691 | 82% | 0.822 | S | S | * | * | trans | -69 | 93 | 167.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | R4 R8 | R4-G6 PolarHBondContact O-N 2.83Å; G6-R8 PolarHBondContact O-N 2.99Å | ||
| 7 | I | 64.6 | Low | 59.9 | Low | 156 Ų | 156 | 157.5 Ų | 157.5 | 80% | 0.8 | 83% | 0.828 | S | S | * | * | trans | -69.9 | 86.6 | 162.9 | -57.2 | 171.2 | 0 | 0 | 0 | 105.3 | R5 R9 | R5-I7 VanDerWaalsContact C-N 3.33Å; R5-I7 PolarHBondContact O-N 3.14Å; I7-R9 PolarHBondContact O-N 3.44Å | ||
| 8 | R | 66.8 | Low | 59.8 | Low | 235 Ų | 235 | 152.4 Ų | 152.4 | 89% | 0.887 | 82% | 0.82 | S | S | * | * | trans | -67.1 | 96.7 | 163.2 | -77.1 | -171.1 | -175.7 | -171.1 | 2 | 105.8 | G6 S10 | G6-R8 PolarHBondContact O-N 2.99Å; R8-S10 PolarHBondContact O-N 2.76Å | ||
| 9 | R | 62 | Low | 59.9 | Low | 217 Ų | 217 | 151.8 Ų | 151.8 | 82% | 0.819 | 81% | 0.813 | S | S | * | * | trans | -49.4 | 103.8 | 168 | -174.9 | -178.1 | -69.2 | -152.4 | -1.1 | 107.3 | I7 R11 | I7-R9 PolarHBondContact O-N 3.44Å; R9-R11 VanDerWaalsContact C-N 3.32Å; R9-R11 PolarHBondContact O-N 3.37Å | ||
| 10 | S | 59.5 | Low | 60.9 | Low | 101 Ų | 101 | 149.3 Ų | 149.3 | 71% | 0.706 | 80% | 0.799 | S | S | * | * | trans | -59.4 | 100.7 | 165.1 | -54.8 | 0 | 0 | 0 | 0 | 106.6 | R8 S12 | R8-S10 PolarHBondContact O-N 2.76Å; S10-S12 PolarHBondContact O-N 3.4Å | ||
| 11 | R | 53.6 | Low | 62.1 | Low | 216 Ų | 216 | 148.4 Ų | 148.4 | 82% | 0.815 | 79% | 0.792 | S | S | * | * | trans | -70.9 | 76.3 | 153.1 | -85 | -172.7 | 175.1 | -168.5 | -0.3 | 105.8 | R9 G13 | R9-R11 VanDerWaalsContact C-N 3.32Å; R9-R11 PolarHBondContact O-N 3.37Å; R11-G13 VanDerWaalsContact C-N 3.32Å | ||
| 12 | S | 55.4 | Low | 64 | Low | 109 Ų | 109 | 139.7 Ų | 139.7 | 76% | 0.762 | 76% | 0.755 | S | S | * | * | trans | -96.6 | 73.2 | 163.1 | 53.1 | 0 | 0 | 0 | 0 | 105.9 | S10 | S10-S12 PolarHBondContact O-N 3.4Š| ||
| 13 | G | 50.6 | Low | 65.2 | Low | 72 Ų | 72 | 137 Ų | 137 | 74% | 0.742 | 74% | 0.74 | S | S | * | * | trans | -149.3 | 5.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | R11 | R11-G13 VanDerWaalsContact C-N 3.32Š| ||
| 14 | E | 49.2 | Very low | 66.4 | Low | 147 Ų | 147 | 132.6 Ų | 132.6 | 69% | 0.687 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -119 | 140.8 | 163.2 | -82.9 | 160.2 | 97 | 0 | 0 | 104.6 | ||
| 15 | D | 54.9 | Low | 67.5 | Low | 174 Ų | 174 | 124.5 Ų | 124.5 | 93% | 0.93 | 69% | 0.694 | S | S | * | * | S | Bend | trans | 103.2 | 85.3 | -178.3 | -50.9 | -22.6 | 0 | 0 | 0 | 114.5 | ||
| 16 | G | 54.5 | Low | 68.8 | Low | 75 Ų | 75 | 116.9 Ų | 116.9 | 77% | 0.773 | 68% | 0.676 | S | S | * | * | S | Bend | trans | 165.9 | -21.2 | 156.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | G18 | G16-G18 PolarHBondContact O-N 3.39Š|
| 17 | S | 55 | Low | 70.1 | Confident | 132 Ų | 132 | 117.5 Ų | 117.5 | 92% | 0.923 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -101.2 | 66.6 | -173.7 | 68.7 | 0 | 0 | 0 | 0 | 112.6 | ||
| 18 | G | 59.8 | Low | 71.5 | Confident | 65 Ų | 65 | 114.1 Ų | 114.1 | 67% | 0.67 | 65% | 0.646 | S | S | * | * | trans | -171.2 | 62.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | G16 D20 | G16-G18 PolarHBondContact O-N 3.39Å; G18-D20 VanDerWaalsContact C-N 3.34Å; G18-D20 PolarHBondContact O-N 3.26Å | ||
| 19 | M | 60.5 | Low | 72.9 | Confident | 142 Ų | 142 | 107.8 Ų | 107.8 | 70% | 0.7 | 63% | 0.626 | S | S | * | * | trans | -51.7 | 114.5 | 156.4 | -78.2 | 179.4 | 75.6 | 0 | 0 | 105 | M21 | M19-M21 PolarHBondContact O-N 2.81Š| ||
| 20 | D | 80.4 | Confident | 74.6 | Confident | 100 Ų | 100 | 103.4 Ų | 103.4 | 54% | 0.535 | 62% | 0.615 | S | S | . | * | trans | -51.1 | 118 | 177.3 | -176.9 | -6.7 | 0 | 0 | 0 | 106.7 | G18 S22 A23 L24 | G18-D20 VanDerWaalsContact C-N 3.34Å; G18-D20 PolarHBondContact O-N 3.26Å; D20-S22 PolarHBondContact O-N 3Å; D20-S22 VanDerWaalsContact OD1-CB 3.29Å; D20-S22 WeakPolarHBondContact OD1-CB 3.31Å; D20-S22 PolarHBondContact OD1-N 3.26Å; D20-S22 PolarHBondContact OD1-OG 3.23Å; D20-S22 PolarHBondContact OD2-OG 3.48Å; D20-A23 HydrophobicContact CB-CB 4.39Å; D20-A23 WeakPolarHBondContact O-CB 3.32Å; D20-A23 PolarHBondContact O-N 3.46Å; D20-L24 PolarHBondContact O-N 3.39Å | ||
| 21 | M | 86.7 | Confident | 76.3 | Confident | 131 Ų | 131 | 107.2 Ų | 107.2 | 65% | 0.645 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -55.4 | -25.2 | -179.5 | -72.5 | -66.6 | -66.9 | 0 | 0 | 110.5 | M19 L24 T25 | M19-M21 PolarHBondContact O-N 2.81Å; M21-L24 HydrophobicContact SD-CD2 4.35Å; M21-T25 WeakPolarHBondContact O-CB 3.47Å; M21-T25 PolarHBondContact O-N 3.48Å; M21-T25 PolarHBondContact O-OG1 2.97Å |
| 22 | S | 90.9 | Very high | 78.3 | Confident | 62 Ų | 62 | 101.7 Ų | 101.7 | 43% | 0.434 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -61.1 | -48 | 171.8 | 82.6 | 0 | 0 | 0 | 0 | 111.9 | D20 L24 T25 S26 | D20-S22 PolarHBondContact O-N 3Å; D20-S22 VanDerWaalsContact OD1-CB 3.29Å; D20-S22 WeakPolarHBondContact OD1-CB 3.31Å; D20-S22 PolarHBondContact OD1-N 3.26Å; D20-S22 PolarHBondContact OD1-OG 3.23Å; D20-S22 PolarHBondContact OD2-OG 3.48Å; S22-L24 PolarHBondContact O-N 2.81Å; S22-T25 WeakPolarHBondContact O-CB 3.4Å; S22-T25 PolarHBondContact O-N 3.3Å; S22-S26 PolarHBondContact O-N 2.89Å; S22-S26 PolarHBondContact O-OG 2.75Å |
| 23 | A | 91 | Very high | 80.2 | Confident | 57 Ų | 57 | 103 Ų | 103 | 47% | 0.471 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -65.9 | -39.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112 | D20 L27 | D20-A23 HydrophobicContact CB-CB 4.39Å; D20-A23 WeakPolarHBondContact O-CB 3.32Å; D20-A23 PolarHBondContact O-N 3.46Å; A23-L27 WeakPolarHBondContact O-CB 3.49Å; A23-L27 PolarHBondContact O-N 2.86Å |
| 24 | L | 91.3 | Very high | 82.3 | Confident | 63 Ų | 63 | 103 Ų | 103 | 33% | 0.33 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -63 | -43.9 | 173.7 | 178.9 | 61.6 | 0 | 0 | 0 | 111.2 | D20 M21 S22 L27 I28 | D20-L24 PolarHBondContact O-N 3.39Å; M21-L24 HydrophobicContact SD-CD2 4.35Å; S22-L24 PolarHBondContact O-N 2.81Å; L24-L27 PolarHBondContact O-N 3.04Å; L24-I28 HydrophobicContact CD1-CD1 4.13Å; L24-I28 HydrophobicContact CD1-CG1 4.47Å; L24-I28 HydrophobicContact CG-CD1 3.99Å; L24-I28 VanDerWaalsContact O-CG1 3.3Å; L24-I28 WeakPolarHBondContact O-CG1 3.38Å; L24-I28 PolarHBondContact O-N 3.48Å |
| 25 | T | 93.8 | Very high | 84.5 | Confident | 64 Ų | 64 | 98.8 Ų | 98.8 | 39% | 0.393 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -62.1 | -47.1 | 178.3 | -56.7 | 0 | 0 | 0 | 0 | 110.9 | M21 S22 L27 I28 E29 | M21-T25 WeakPolarHBondContact O-CB 3.47Å; M21-T25 PolarHBondContact O-N 3.48Å; M21-T25 PolarHBondContact O-OG1 2.97Å; S22-T25 WeakPolarHBondContact O-CB 3.4Å; S22-T25 PolarHBondContact O-N 3.3Å; T25-L27 VanDerWaalsContact C-N 3.33Å; T25-L27 PolarHBondContact O-N 3.48Å; T25-I28 WeakPolarHBondContact O-CB 3.32Å; T25-I28 PolarHBondContact O-N 2.79Å; T25-I28 VanDerWaalsContact O-N 3.12Å; T25-E29 WeakPolarHBondContact O-CG 3.46Å; T25-E29 PolarHBondContact O-N 3.07Å |
| 26 | S | 95.2 | Very high | 86.5 | Confident | 70 Ų | 70 | 94.4 Ų | 94.4 | 49% | 0.49 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -60.2 | -41 | 177.2 | -61.5 | 0 | 0 | 0 | 0 | 112.6 | S22 I28 E29 E30 | S22-S26 PolarHBondContact O-N 2.89Å; S22-S26 PolarHBondContact O-OG 2.75Å; S26-I28 VanDerWaalsContact C-N 3.32Å; S26-I28 PolarHBondContact O-N 2.87Å; S26-E29 PolarHBondContact O-N 3.32Å; S26-E30 WeakPolarHBondContact O-CB 3.31Å; S26-E30 PolarHBondContact O-N 2.95Å |
| 27 | L | 96 | Very high | 88.2 | Confident | 79 Ų | 79 | 94 Ų | 94 | 41% | 0.414 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64.2 | -37.6 | 176.1 | -176.4 | 69.1 | 0 | 0 | 0 | 112 | A23 L24 T25 R31 | A23-L27 WeakPolarHBondContact O-CB 3.49Å; A23-L27 PolarHBondContact O-N 2.86Å; L24-L27 PolarHBondContact O-N 3.04Å; T25-L27 VanDerWaalsContact C-N 3.33Å; T25-L27 PolarHBondContact O-N 3.48Å; L27-R31 WeakPolarHBondContact O-CG 3.44Å; L27-R31 PolarHBondContact O-N 2.89Å; L27-R31 VanDerWaalsContact O-N 3.11Å |
| 28 | I | 95.4 | Very high | 90.2 | Very high | 85 Ų | 85 | 91.6 Ų | 91.6 | 44% | 0.436 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -67.4 | -46.3 | 176.3 | -69.8 | 165.7 | 0 | 0 | 0 | 110.3 | L24 T25 S26 E30 R31 I32 | L24-I28 HydrophobicContact CD1-CD1 4.13Å; L24-I28 HydrophobicContact CD1-CG1 4.47Å; L24-I28 HydrophobicContact CG-CD1 3.99Å; L24-I28 VanDerWaalsContact O-CG1 3.3Å; L24-I28 WeakPolarHBondContact O-CG1 3.38Å; L24-I28 PolarHBondContact O-N 3.48Å; T25-I28 WeakPolarHBondContact O-CB 3.32Å; T25-I28 PolarHBondContact O-N 2.79Å; T25-I28 VanDerWaalsContact O-N 3.12Å; S26-I28 VanDerWaalsContact C-N 3.32Å; S26-I28 PolarHBondContact O-N 2.87Å; I28-E30 PolarHBondContact O-N 2.72Å; I28-R31 PolarHBondContact O-N 2.94Å; I28-I32 HydrophobicContact CG2-CD1 3.72Å; I28-I32 HydrophobicContact CG2-CG1 4.38Å; I28-I32 VanDerWaalsContact O-CG1 3.31Å; I28-I32 WeakPolarHBondContact O-CG1 3.36Å; I28-I32 PolarHBondContact O-N 3.48Å |
| 29 | E | 96.2 | Very high | 91.9 | Very high | 102 Ų | 102 | 95.5 Ų | 95.5 | 48% | 0.477 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -59.4 | -45.1 | 177.3 | -72.9 | 176.6 | 174.9 | 0 | 0 | 111.8 | T25 S26 R31 I32 Q33 | T25-E29 WeakPolarHBondContact O-CG 3.46Å; T25-E29 PolarHBondContact O-N 3.07Å; S26-E29 PolarHBondContact O-N 3.32Å; E29-R31 VanDerWaalsContact C-N 3.34Å; E29-R31 PolarHBondContact O-N 3.34Å; E29-I32 PolarHBondContact O-N 3.4Å; E29-Q33 WeakPolarHBondContact O-CB 3.3Å; E29-Q33 VanDerWaalsContact O-CG 3.3Å; E29-Q33 WeakPolarHBondContact O-CG 3.37Å; E29-Q33 PolarHBondContact O-N 3.32Å |
| 30 | E | 95.9 | Very high | 93.6 | Very high | 125 Ų | 125 | 91.2 Ų | 91.2 | 58% | 0.584 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -58.4 | -45.6 | 175.7 | -174.9 | -172.9 | 175.2 | 0 | 0 | 111.3 | S26 I28 I32 Q33 A34 | S26-E30 WeakPolarHBondContact O-CB 3.31Å; S26-E30 PolarHBondContact O-N 2.95Å; I28-E30 PolarHBondContact O-N 2.72Å; E30-I32 PolarHBondContact O-N 3.24Å; E30-Q33 PolarHBondContact O-N 3.2Å; E30-A34 WeakPolarHBondContact O-CB 3.49Å; E30-A34 PolarHBondContact O-N 3.01Å |
| 31 | R | 95.9 | Very high | 94.4 | Very high | 182 Ų | 182 | 89.2 Ų | 89.2 | 69% | 0.687 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.2 | -39 | 178 | -77.1 | -173.2 | 177.1 | -130.7 | 0.7 | 112.8 | L27 I28 E29 A35 | L27-R31 WeakPolarHBondContact O-CG 3.44Å; L27-R31 PolarHBondContact O-N 2.89Å; L27-R31 VanDerWaalsContact O-N 3.11Å; I28-R31 PolarHBondContact O-N 2.94Å; E29-R31 VanDerWaalsContact C-N 3.34Å; E29-R31 PolarHBondContact O-N 3.34Å; R31-A35 WeakPolarHBondContact O-CB 3.46Å; R31-A35 PolarHBondContact O-N 2.85Å; R31-A35 VanDerWaalsContact O-N 3.08Å |
| 32 | I | 95.8 | Very high | 94.9 | Very high | 99 Ų | 99 | 85.5 Ų | 85.5 | 51% | 0.508 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.8 | -48.5 | 175.2 | -69 | 167.8 | 0 | 0 | 0 | 109.4 | I28 E29 E30 A34 A35 V36 | I28-I32 HydrophobicContact CG2-CD1 3.72Å; I28-I32 HydrophobicContact CG2-CG1 4.38Å; I28-I32 VanDerWaalsContact O-CG1 3.31Å; I28-I32 WeakPolarHBondContact O-CG1 3.36Å; I28-I32 PolarHBondContact O-N 3.48Å; E29-I32 PolarHBondContact O-N 3.4Å; E30-I32 PolarHBondContact O-N 3.24Å; I32-A34 VanDerWaalsContact C-N 3.33Å; I32-A34 PolarHBondContact O-N 3.01Å; I32-A35 PolarHBondContact O-N 3.45Å; I32-A35 VanDerWaalsContact O-N 3.1Å; I32-V36 HydrophobicContact CG2-CG2 4.24Å; I32-V36 VanDerWaalsContact O-CG2 3.25Å; I32-V36 WeakPolarHBondContact O-CG2 3.26Å; I32-V36 PolarHBondContact O-N 3.25Å |
| 33 | Q | 95.6 | Very high | 95.2 | Very high | 138 Ų | 138 | 85.7 Ų | 85.7 | 65% | 0.645 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -59.7 | -43.1 | 178.7 | -72.4 | 176.1 | 7.4 | 0 | 0 | 112.2 | E29 E30 A35 V36 | E29-Q33 WeakPolarHBondContact O-CB 3.3Å; E29-Q33 VanDerWaalsContact O-CG 3.3Å; E29-Q33 WeakPolarHBondContact O-CG 3.37Å; E29-Q33 PolarHBondContact O-N 3.32Å; E30-Q33 PolarHBondContact O-N 3.2Å; Q33-A35 VanDerWaalsContact C-N 3.28Å; Q33-A35 PolarHBondContact O-N 2.93Å; Q33-V36 PolarHBondContact O-N 3.42Å |
| 34 | A | 95 | Very high | 95.5 | Very high | 70 Ų | 70 | 85.8 Ų | 85.8 | 58% | 0.579 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63 | -32.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | E30 I32 P38 | E30-A34 WeakPolarHBondContact O-CB 3.49Å; E30-A34 PolarHBondContact O-N 3.01Å; I32-A34 VanDerWaalsContact C-N 3.33Å; I32-A34 PolarHBondContact O-N 3.01Å; A34-P38 WeakPolarHBondContact O-CD 3.3Å |
| 35 | A | 94.1 | Very high | 95.9 | Very high | 60 Ų | 60 | 88.6 Ų | 88.6 | 50% | 0.496 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -80.8 | -27 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | R31 I32 Q33 P38 F39 | R31-A35 WeakPolarHBondContact O-CB 3.46Å; R31-A35 PolarHBondContact O-N 2.85Å; R31-A35 VanDerWaalsContact O-N 3.08Å; I32-A35 PolarHBondContact O-N 3.45Å; I32-A35 VanDerWaalsContact O-N 3.1Å; Q33-A35 VanDerWaalsContact C-N 3.28Å; Q33-A35 PolarHBondContact O-N 2.93Å; A35-P38 WeakPolarHBondContact O-CD 3.49Å; A35-P38 WeakPolarHBondContact O-CG 3.47Å; A35-F39 PolarHBondContact O-N 2.93Å |
| 36 | V | 96.7 | Very high | 96.1 | Very high | 82 Ų | 82 | 91 Ų | 91 | 50% | 0.497 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.2 | -40.1 | -178.6 | 167.5 | 0 | 0 | 0 | 0 | 111.9 | I32 Q33 F39 A40 | I32-V36 HydrophobicContact CG2-CG2 4.24Å; I32-V36 VanDerWaalsContact O-CG2 3.25Å; I32-V36 WeakPolarHBondContact O-CG2 3.26Å; I32-V36 PolarHBondContact O-N 3.25Å; Q33-V36 PolarHBondContact O-N 3.42Å; V36-F39 PolarHBondContact O-N 3.22Å; V36-A40 WeakPolarHBondContact O-CB 3.36Å; V36-A40 PolarHBondContact O-N 2.93Å |
| 37 | A | 91.8 | Very high | 96.1 | Very high | 67 Ų | 67 | 91 Ų | 91 | 55% | 0.554 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -59.6 | -52.9 | -179 | 0 | 0 | 0 | 0 | 0 | 114.4 | F39 A40 S41 | A37-F39 VanDerWaalsContact C-N 3.29Å; A37-F39 PolarHBondContact O-N 2.88Å; A37-A40 PolarHBondContact O-N 3.01Å; A37-S41 PolarHBondContact O-N 3.34Å |
| 38 | P | 95.9 | Very high | 96.2 | Very high | 81 Ų | 81 | 92.1 Ų | 92.1 | 53% | 0.526 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.6 | -34.4 | 177.4 | 24.6 | -33.5 | 0 | 0 | 0 | 112.1 | A34 A35 S41 A42 | A34-P38 WeakPolarHBondContact O-CD 3.3Å; A35-P38 WeakPolarHBondContact O-CD 3.49Å; A35-P38 WeakPolarHBondContact O-CG 3.47Å; P38-S41 PolarHBondContact O-N 3.16Å; P38-A42 WeakPolarHBondContact O-CB 3.41Å; P38-A42 PolarHBondContact O-N 3.15Å |
| 39 | F | 95.8 | Very high | 96.3 | Very high | 146 Ų | 146 | 91.5 Ų | 91.5 | 64% | 0.64 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.9 | -46.5 | 174.8 | -178.7 | -100.6 | 0 | 0 | 0 | 111.9 | A35 V36 A37 S41 A42 V43 | A35-F39 PolarHBondContact O-N 2.93Å; V36-F39 PolarHBondContact O-N 3.22Å; A37-F39 VanDerWaalsContact C-N 3.29Å; A37-F39 PolarHBondContact O-N 2.88Å; F39-S41 VanDerWaalsContact C-N 3.31Å; F39-S41 PolarHBondContact O-N 3.44Å; F39-A42 PolarHBondContact O-N 3.04Å; F39-V43 HydrophobicContact CD1-CG2 4.26Å; F39-V43 HydrophobicContact CE1-CG2 3.84Å; F39-V43 HydrophobicContact CE2-CG2 4.25Å; F39-V43 HydrophobicContact CZ-CG2 3.83Å; F39-V43 WeakPolarHBondContact O-CG2 3.44Å; F39-V43 PolarHBondContact O-N 3.34Å |
| 40 | A | 96.1 | Very high | 96.3 | Very high | 52 Ų | 52 | 90.7 Ų | 90.7 | 43% | 0.43 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.7 | -40 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | V36 A37 V43 A44 | V36-A40 WeakPolarHBondContact O-CB 3.36Å; V36-A40 PolarHBondContact O-N 2.93Å; A37-A40 PolarHBondContact O-N 3.01Å; A40-V43 PolarHBondContact O-N 3.46Å; A40-A44 WeakPolarHBondContact O-CB 3.47Å; A40-A44 PolarHBondContact O-N 2.99Å |
| 41 | S | 97.1 | Very high | 96.3 | Very high | 59 Ų | 59 | 92.4 Ų | 92.4 | 41% | 0.413 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.7 | -49.2 | 174.3 | -163.6 | 0 | 0 | 0 | 0 | 111.6 | A37 P38 F39 V43 A44 E45 | A37-S41 PolarHBondContact O-N 3.34Å; P38-S41 PolarHBondContact O-N 3.16Å; F39-S41 VanDerWaalsContact C-N 3.31Å; F39-S41 PolarHBondContact O-N 3.44Å; S41-V43 VanDerWaalsContact C-N 3.3Å; S41-V43 PolarHBondContact O-N 2.98Å; S41-A44 WeakPolarHBondContact O-CB 3.49Å; S41-A44 PolarHBondContact O-N 3.33Å; S41-A44 VanDerWaalsContact O-N 3.11Å; S41-E45 WeakPolarHBondContact O-CG 3.49Å; S41-E45 PolarHBondContact O-N 2.57Å; S41-E45 PolarHBondContact OG-OE1 2.92Å |
| 42 | A | 97.3 | Very high | 96.2 | Very high | 53 Ų | 53 | 88.9 Ų | 88.9 | 44% | 0.438 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -59.8 | -40.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | P38 F39 L46 | P38-A42 WeakPolarHBondContact O-CB 3.41Å; P38-A42 PolarHBondContact O-N 3.15Å; F39-A42 PolarHBondContact O-N 3.04Å; A42-L46 WeakPolarHBondContact O-CB 3.11Å; A42-L46 PolarHBondContact O-N 2.97Å |
| 43 | V | 98.1 | Very high | 96 | Very high | 66 Ų | 66 | 91.9 Ų | 91.9 | 40% | 0.4 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.4 | -40.4 | 175.7 | 171.7 | 0 | 0 | 0 | 0 | 111.5 | F39 A40 S41 T47 | F39-V43 HydrophobicContact CD1-CG2 4.26Å; F39-V43 HydrophobicContact CE1-CG2 3.84Å; F39-V43 HydrophobicContact CE2-CG2 4.25Å; F39-V43 HydrophobicContact CZ-CG2 3.83Å; F39-V43 WeakPolarHBondContact O-CG2 3.44Å; F39-V43 PolarHBondContact O-N 3.34Å; A40-V43 PolarHBondContact O-N 3.46Å; S41-V43 VanDerWaalsContact C-N 3.3Å; S41-V43 PolarHBondContact O-N 2.98Å; V43-T47 VanDerWaalsContact O-CB 3.32Å; V43-T47 WeakPolarHBondContact O-CB 3.35Å; V43-T47 PolarHBondContact O-N 2.88Å; V43-T47 PolarHBondContact O-OG1 3.25Å |
| 44 | A | 97.6 | Very high | 95.8 | Very high | 59 Ų | 59 | 88.2 Ų | 88.2 | 49% | 0.488 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.4 | -45 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | A40 S41 T47 Q48 | A40-A44 WeakPolarHBondContact O-CB 3.47Å; A40-A44 PolarHBondContact O-N 2.99Å; S41-A44 WeakPolarHBondContact O-CB 3.49Å; S41-A44 PolarHBondContact O-N 3.33Å; S41-A44 VanDerWaalsContact O-N 3.11Å; A44-T47 PolarHBondContact O-N 2.92Å; A44-Q48 WeakPolarHBondContact O-CB 3.4Å; A44-Q48 PolarHBondContact O-N 3.41Å |
| 45 | E | 97.8 | Very high | 95.5 | Very high | 122 Ų | 122 | 88.2 Ų | 88.2 | 57% | 0.57 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -61.6 | -46.9 | 176.4 | -73.3 | 171.3 | -145.1 | 0 | 0 | 111.7 | S41 T47 Q48 E49 | S41-E45 WeakPolarHBondContact O-CG 3.49Å; S41-E45 PolarHBondContact O-N 2.57Å; S41-E45 PolarHBondContact OG-OE1 2.92Å; E45-T47 VanDerWaalsContact C-N 3.33Å; E45-T47 PolarHBondContact O-N 3.11Å; E45-Q48 PolarHBondContact O-N 3.04Å; E45-E49 PolarHBondContact O-N 3.3Å |
| 46 | L | 98 | Very high | 95.1 | Very high | 115 Ų | 115 | 88.3 Ų | 88.3 | 60% | 0.602 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -60.4 | -44.4 | 176.3 | 178.6 | 61.3 | 0 | 0 | 0 | 111.4 | A42 Q48 E49 V50 | A42-L46 WeakPolarHBondContact O-CB 3.11Å; A42-L46 PolarHBondContact O-N 2.97Å; L46-Q48 VanDerWaalsContact C-N 3.31Å; L46-Q48 PolarHBondContact O-N 3.01Å; L46-E49 PolarHBondContact O-N 2.75Å; L46-V50 HydrophobicContact CD1-CG2 4.18Å; L46-V50 HydrophobicContact CG-CG2 4.45Å; L46-V50 WeakPolarHBondContact O-CB 3.45Å; L46-V50 VanDerWaalsContact O-CG2 3.3Å; L46-V50 WeakPolarHBondContact O-CG2 3.32Å; L46-V50 PolarHBondContact O-N 3.06Å |
| 47 | T | 97.1 | Very high | 94.7 | Very high | 68 Ų | 68 | 90.4 Ų | 90.4 | 42% | 0.417 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.7 | -41.1 | 178 | -60.1 | 0 | 0 | 0 | 0 | 111.2 | V43 A44 E45 R51 | V43-T47 VanDerWaalsContact O-CB 3.32Å; V43-T47 WeakPolarHBondContact O-CB 3.35Å; V43-T47 PolarHBondContact O-N 2.88Å; V43-T47 PolarHBondContact O-OG1 3.25Å; A44-T47 PolarHBondContact O-N 2.92Å; E45-T47 VanDerWaalsContact C-N 3.33Å; E45-T47 PolarHBondContact O-N 3.11Å; T47-R51 WeakPolarHBondContact O-CB 3.32Å; T47-R51 PolarHBondContact O-N 2.85Å |
| 48 | Q | 97.3 | Very high | 94.4 | Very high | 103 Ų | 103 | 91.9 Ų | 91.9 | 48% | 0.481 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.7 | -43.2 | 176.7 | -171.7 | -175.8 | 2.4 | 0 | 0 | 111.5 | A44 E45 L46 R51 K52 | A44-Q48 WeakPolarHBondContact O-CB 3.4Å; A44-Q48 PolarHBondContact O-N 3.41Å; E45-Q48 PolarHBondContact O-N 3.04Å; L46-Q48 VanDerWaalsContact C-N 3.31Å; L46-Q48 PolarHBondContact O-N 3.01Å; Q48-R51 PolarHBondContact O-N 3.35Å; Q48-K52 WeakPolarHBondContact O-CG 3.38Å; Q48-K52 PolarHBondContact O-N 3.43Å |
| 49 | E | 96.8 | Very high | 93.9 | Very high | 72 Ų | 72 | 94.1 Ų | 94.1 | 34% | 0.336 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.5 | -43.3 | 179.1 | -174.7 | 58 | -157.4 | 0 | 0 | 111.8 | E45 L46 R51 K52 R53 | E45-E49 PolarHBondContact O-N 3.3Å; L46-E49 PolarHBondContact O-N 2.75Å; E49-R51 VanDerWaalsContact C-N 3.3Å; E49-R51 PolarHBondContact O-N 3.4Å; E49-K52 PolarHBondContact O-N 3.4Å; E49-R53 WeakPolarHBondContact O-CG 3.36Å; E49-R53 PolarHBondContact O-N 3.07Å; E49-R53 IonicContact OE1-CZ 3.47Å; E49-R53 IonicContact OE1-NE 2.89Å; E49-R53 PolarHBondContact OE1-NE 3.31Å; E49-R53 IonicContact OE1-NH2 3.2Å; E49-R53 PolarHBondContact OE1-NH2 3.1Å |
| 50 | V | 96.6 | Very high | 93.3 | Very high | 86 Ų | 86 | 97 Ų | 97 | 52% | 0.521 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59 | -43.1 | 173.5 | 170.5 | 0 | 0 | 0 | 0 | 110.8 | L46 R53 S54 | L46-V50 HydrophobicContact CD1-CG2 4.18Å; L46-V50 HydrophobicContact CG-CG2 4.45Å; L46-V50 WeakPolarHBondContact O-CB 3.45Å; L46-V50 VanDerWaalsContact O-CG2 3.3Å; L46-V50 WeakPolarHBondContact O-CG2 3.32Å; L46-V50 PolarHBondContact O-N 3.06Å; V50-R53 PolarHBondContact O-N 2.91Å; V50-S54 WeakPolarHBondContact O-CB 3.43Å; V50-S54 PolarHBondContact O-N 3.08Å; V50-S54 PolarHBondContact O-OG 2.88Å |
| 51 | R | 95.1 | Very high | 92.6 | Very high | 161 Ų | 161 | 98.8 Ų | 98.8 | 61% | 0.608 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64.5 | -42.3 | 176.7 | -171.4 | -176.4 | -63.3 | 154.3 | 1.8 | 112.3 | T47 Q48 E49 R53 S54 V55 | T47-R51 WeakPolarHBondContact O-CB 3.32Å; T47-R51 PolarHBondContact O-N 2.85Å; Q48-R51 PolarHBondContact O-N 3.35Å; E49-R51 VanDerWaalsContact C-N 3.3Å; E49-R51 PolarHBondContact O-N 3.4Å; R51-R53 VanDerWaalsContact C-N 3.32Å; R51-R53 PolarHBondContact O-N 2.96Å; R51-S54 WeakPolarHBondContact CA-OG 3.25Å; R51-S54 PolarHBondContact O-N 3.37Å; R51-S54 PolarHBondContact O-OG 2.88Å; R51-V55 WeakPolarHBondContact O-CB 3.09Å; R51-V55 VanDerWaalsContact O-CG2 3.26Å; R51-V55 WeakPolarHBondContact O-CG2 3.33Å; R51-V55 PolarHBondContact O-N 3.31Å |
| 52 | K | 94.2 | Very high | 91.8 | Very high | 107 Ų | 107 | 100.3 Ų | 100.3 | 47% | 0.465 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.7 | -44 | 175.8 | -74.7 | 173.1 | -178.7 | 171.6 | 0 | 111.1 | Q48 E49 S56 | Q48-K52 WeakPolarHBondContact O-CG 3.38Å; Q48-K52 PolarHBondContact O-N 3.43Å; E49-K52 PolarHBondContact O-N 3.4Å; K52-S56 WeakPolarHBondContact O-CB 3.37Å; K52-S56 PolarHBondContact O-N 3.23Å; K52-S56 PolarHBondContact O-OG 3.26Å |
| 53 | R | 92.4 | Very high | 90.2 | Very high | 163 Ų | 163 | 100.4 Ų | 100.4 | 62% | 0.615 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -67.3 | -42.4 | 178.6 | -70.7 | -178.2 | -171.5 | -174.6 | 1.8 | 112.3 | E49 V50 R51 S56 Q57 | E49-R53 WeakPolarHBondContact O-CG 3.36Å; E49-R53 PolarHBondContact O-N 3.07Å; E49-R53 IonicContact OE1-CZ 3.47Å; E49-R53 IonicContact OE1-NE 2.89Å; E49-R53 PolarHBondContact OE1-NE 3.31Å; E49-R53 IonicContact OE1-NH2 3.2Å; E49-R53 PolarHBondContact OE1-NH2 3.1Å; V50-R53 PolarHBondContact O-N 2.91Å; R51-R53 VanDerWaalsContact C-N 3.32Å; R51-R53 PolarHBondContact O-N 2.96Å; R53-S56 PolarHBondContact O-N 3.44Å; R53-Q57 VanDerWaalsContact O-CB 3.3Å; R53-Q57 WeakPolarHBondContact O-CB 3.41Å; R53-Q57 PolarHBondContact O-N 3.49Å |
| 54 | S | 91.5 | Very high | 88.3 | Confident | 60 Ų | 60 | 101.5 Ų | 101.5 | 42% | 0.42 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.3 | -41.5 | 178.4 | 66.7 | 0 | 0 | 0 | 0 | 112 | V50 R51 Q57 Q58 | V50-S54 WeakPolarHBondContact O-CB 3.43Å; V50-S54 PolarHBondContact O-N 3.08Å; V50-S54 PolarHBondContact O-OG 2.88Å; R51-S54 WeakPolarHBondContact CA-OG 3.25Å; R51-S54 PolarHBondContact O-N 3.37Å; R51-S54 PolarHBondContact O-OG 2.88Å; S54-Q57 PolarHBondContact O-N 3.33Å; S54-Q58 WeakPolarHBondContact O-CB 3.3Å; S54-Q58 PolarHBondContact O-N 3.45Å |
| 55 | V | 89.2 | Confident | 86.4 | Confident | 71 Ų | 71 | 106.7 Ų | 106.7 | 43% | 0.43 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.8 | -45.1 | 173.7 | 172.4 | 0 | 0 | 0 | 0 | 110.9 | R51 Q57 Q58 Q59 | R51-V55 WeakPolarHBondContact O-CB 3.09Å; R51-V55 VanDerWaalsContact O-CG2 3.26Å; R51-V55 WeakPolarHBondContact O-CG2 3.33Å; R51-V55 PolarHBondContact O-N 3.31Å; V55-Q57 VanDerWaalsContact C-N 3.34Å; V55-Q57 PolarHBondContact O-N 2.87Å; V55-Q58 PolarHBondContact O-N 3.1Å; V55-Q59 HydrophobicContact CG1-CG 4.47Å; V55-Q59 WeakPolarHBondContact O-CB 3.46Å; V55-Q59 VanDerWaalsContact O-CG 3.31Å; V55-Q59 WeakPolarHBondContact O-CG 3.36Å; V55-Q59 PolarHBondContact O-N 3.11Å |
| 56 | S | 85.6 | Confident | 84.1 | Confident | 61 Ų | 61 | 110 Ų | 110 | 43% | 0.427 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63.6 | -40.3 | 178.2 | -56.6 | 0 | 0 | 0 | 0 | 111.9 | K52 R53 Q59 R60 | K52-S56 WeakPolarHBondContact O-CB 3.37Å; K52-S56 PolarHBondContact O-N 3.23Å; K52-S56 PolarHBondContact O-OG 3.26Å; R53-S56 PolarHBondContact O-N 3.44Å; S56-Q59 PolarHBondContact O-N 3.39Å; S56-R60 VanDerWaalsContact O-CG 3.32Å; S56-R60 WeakPolarHBondContact O-CG 3.31Å; S56-R60 PolarHBondContact O-N 2.91Å |
| 57 | Q | 87.5 | Confident | 81.8 | Confident | 127 Ų | 127 | 107.3 Ų | 107.3 | 59% | 0.593 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -66.1 | -43.7 | 176.2 | -175.4 | 176.7 | -0.5 | 0 | 0 | 111.2 | R53 S54 V55 Q59 R60 I61 | R53-Q57 VanDerWaalsContact O-CB 3.3Å; R53-Q57 WeakPolarHBondContact O-CB 3.41Å; R53-Q57 PolarHBondContact O-N 3.49Å; S54-Q57 PolarHBondContact O-N 3.33Å; V55-Q57 VanDerWaalsContact C-N 3.34Å; V55-Q57 PolarHBondContact O-N 2.87Å; Q57-Q59 VanDerWaalsContact C-N 3.35Å; Q57-Q59 PolarHBondContact O-N 3.04Å; Q57-R60 PolarHBondContact O-N 3.12Å; Q57-I61 HydrophobicContact CG-CD1 4.1Å; Q57-I61 WeakPolarHBondContact O-CG1 3.45Å; Q57-I61 PolarHBondContact O-N 3.04Å |
| 58 | Q | 86 | Confident | 79.5 | Confident | 98 Ų | 98 | 110.5 Ų | 110.5 | 46% | 0.458 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -63.3 | -40.7 | 176.5 | -169.5 | 66 | 54.2 | 0 | 0 | 111.9 | S54 V55 R60 I61 N62 | S54-Q58 WeakPolarHBondContact O-CB 3.3Å; S54-Q58 PolarHBondContact O-N 3.45Å; V55-Q58 PolarHBondContact O-N 3.1Å; Q58-R60 VanDerWaalsContact C-N 3.32Å; Q58-R60 PolarHBondContact O-N 3.39Å; Q58-I61 PolarHBondContact O-N 3.36Å; Q58-N62 PolarHBondContact NE2-ND2 3.47Å; Q58-N62 PolarHBondContact NE2-OD1 2.93Å; Q58-N62 WeakPolarHBondContact O-CB 3.47Å; Q58-N62 PolarHBondContact O-N 2.9Å |
| 59 | Q | 85.3 | Confident | 77.3 | Confident | 127 Ų | 127 | 114.2 Ų | 114.2 | 59% | 0.593 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -63.2 | -38.1 | 175 | -75.9 | 176 | -14.3 | 0 | 0 | 112.1 | V55 S56 Q57 G63 | V55-Q59 HydrophobicContact CG1-CG 4.47Å; V55-Q59 WeakPolarHBondContact O-CB 3.46Å; V55-Q59 VanDerWaalsContact O-CG 3.31Å; V55-Q59 WeakPolarHBondContact O-CG 3.36Å; V55-Q59 PolarHBondContact O-N 3.11Å; S56-Q59 PolarHBondContact O-N 3.39Å; Q57-Q59 VanDerWaalsContact C-N 3.35Å; Q57-Q59 PolarHBondContact O-N 3.04Å; Q59-G63 WeakPolarHBondContact O-CA 3.3Å; Q59-G63 PolarHBondContact O-N 3.36Å |
| 60 | R | 81.8 | Confident | 75.1 | Confident | 206 Ų | 206 | 114.4 Ų | 114.4 | 78% | 0.777 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -66.1 | -37.7 | 174.4 | -72.7 | 177 | 69 | 177.1 | 2.3 | 112.4 | S56 Q57 Q58 S64 | S56-R60 VanDerWaalsContact O-CG 3.32Å; S56-R60 WeakPolarHBondContact O-CG 3.31Å; S56-R60 PolarHBondContact O-N 2.91Å; Q57-R60 PolarHBondContact O-N 3.12Å; Q58-R60 VanDerWaalsContact C-N 3.32Å; Q58-R60 PolarHBondContact O-N 3.39Å; R60-S64 WeakPolarHBondContact O-CB 3.5Å; R60-S64 PolarHBondContact O-N 2.89Å |
| 61 | I | 81.7 | Confident | 72.6 | Confident | 91 Ų | 91 | 121.1 Ų | 121.1 | 47% | 0.467 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -68.4 | -51.8 | 177 | -66.5 | 164.1 | 0 | 0 | 0 | 109.8 | Q57 Q58 S64 | Q57-I61 HydrophobicContact CG-CD1 4.1Å; Q57-I61 WeakPolarHBondContact O-CG1 3.45Å; Q57-I61 PolarHBondContact O-N 3.04Å; Q58-I61 PolarHBondContact O-N 3.36Å; I61-S64 PolarHBondContact O-N 3.2Å |
| 62 | N | 80.1 | Confident | 70.3 | Confident | 90 Ų | 90 | 126 Ų | 126 | 48% | 0.481 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -73.5 | -35.4 | -175.5 | -65.8 | 1.6 | 0 | 0 | 0 | 113.1 | Q58 S64 E65 | Q58-N62 PolarHBondContact NE2-ND2 3.47Å; Q58-N62 PolarHBondContact NE2-OD1 2.93Å; Q58-N62 WeakPolarHBondContact O-CB 3.47Å; Q58-N62 PolarHBondContact O-N 2.9Å; N62-S64 PolarHBondContact O-N 2.94Å; N62-E65 PolarHBondContact O-N 3.47Å |
| 63 | G | 64.3 | Low | 68.2 | Low | 56 Ų | 56 | 124.9 Ų | 124.9 | 58% | 0.577 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.4 | -10.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q59 E65 | Q59-G63 WeakPolarHBondContact O-CA 3.3Å; Q59-G63 PolarHBondContact O-N 3.36Å; G63-E65 VanDerWaalsContact C-N 3.33Å |
| 64 | S | 58.8 | Low | 66 | Low | 88 Ų | 88 | 126.6 Ų | 126.6 | 62% | 0.615 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.1 | -17.2 | 174 | -169.2 | 0 | 0 | 0 | 0 | 112.8 | R60 I61 N62 | R60-S64 WeakPolarHBondContact O-CB 3.5Å; R60-S64 PolarHBondContact O-N 2.89Å; I61-S64 PolarHBondContact O-N 3.2Å; N62-S64 PolarHBondContact O-N 2.94Å |
| 65 | E | 56.4 | Low | 64.2 | Low | 169 Ų | 169 | 132.6 Ų | 132.6 | 79% | 0.79 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.1 | -9.8 | -174.8 | -66.6 | -168.5 | 140.2 | 0 | 0 | 114.1 | N62 G63 | N62-E65 PolarHBondContact O-N 3.47Å; G63-E65 VanDerWaalsContact C-N 3.33Å |
| 66 | E | 51.2 | Low | 62.5 | Low | 191 Ų | 191 | 138.3 Ų | 138.3 | 89% | 0.893 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.5 | 4 | 172.6 | -65.3 | -169 | 159.8 | 0 | 0 | 113.1 | D68 | E66-D68 PolarHBondContact O-N 3.19Š|
| 67 | G | 49.3 | Very low | 61.2 | Low | 58 Ų | 58 | 141.1 Ų | 141.1 | 60% | 0.598 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -99.2 | 77.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 68 | D | 48.8 | Very low | 59.8 | Low | 136 Ų | 136 | 142 Ų | 142 | 73% | 0.727 | 72% | 0.722 | S | S | * | * | trans | 68.3 | 91.4 | 152 | -142.3 | -2.3 | 0 | 0 | 0 | 117.6 | E66 S70 | E66-D68 PolarHBondContact O-N 3.19Å; D68-S70 PolarHBondContact O-N 2.87Å; D68-S70 VanDerWaalsContact OD1-CB 3.31Å; D68-S70 WeakPolarHBondContact OD1-CB 3.44Å | ||
| 69 | D | 50.2 | Low | 58.5 | Low | 181 Ų | 181 | 142.7 Ų | 142.7 | 97% | 0.968 | 74% | 0.735 | S | S | * | * | trans | -68.8 | 51.4 | 162.9 | -150.6 | 3 | 0 | 0 | 0 | 111.1 | ||||
| 70 | S | 50.9 | Low | 57.3 | Low | 75 Ų | 75 | 143.1 Ų | 143.1 | 52% | 0.524 | 74% | 0.742 | S | S | . | * | trans | -130.6 | 109.1 | 178.4 | -140.8 | 0 | 0 | 0 | 0 | 111.4 | D68 | D68-S70 PolarHBondContact O-N 2.87Å; D68-S70 VanDerWaalsContact OD1-CB 3.31Å; D68-S70 WeakPolarHBondContact OD1-CB 3.44Å | ||
| 71 | R | 44.7 | Very low | 56.1 | Low | 228 Ų | 228 | 144 Ų | 144 | 86% | 0.86 | 75% | 0.745 | S | S | * | * | trans | 84.1 | 73.7 | 165.8 | -54.8 | -179.8 | 175.8 | -169.8 | -2.3 | 115.8 | A73 | R71-A73 PolarHBondContact O-N 3.15Š| ||
| 72 | R | 45.4 | Very low | 55 | Low | 264 Ų | 264 | 143.3 Ų | 143.3 | 100% | 0.996 | 75% | 0.753 | S | S | * | * | trans | -37.4 | 80.8 | 130.9 | -158.9 | -177.7 | -150.1 | -134.6 | 6.6 | 111.6 | ||||
| 73 | A | 50.2 | Low | 54.2 | Low | 82 Ų | 82 | 142.7 Ų | 142.7 | 68% | 0.678 | 76% | 0.76 | S | S | * | * | trans | -115.7 | 134.1 | 160.6 | 0 | 0 | 0 | 0 | 0 | 107.4 | R71 E75 | R71-A73 PolarHBondContact O-N 3.15Å; A73-E75 PolarHBondContact O-N 2.69Å; A73-E75 VanDerWaalsContact O-N 3.14Å | ||
| 74 | E | 47 | Very low | 54.3 | Low | 200 Ų | 200 | 146.8 Ų | 146.8 | 94% | 0.935 | 77% | 0.769 | S | S | * | * | trans | -64.1 | 105.7 | -165.2 | -59.6 | 167.9 | 140.5 | 0 | 0 | 112.4 | ||||
| 75 | E | 53.9 | Low | 55 | Low | 186 Ų | 186 | 146.9 Ų | 146.9 | 87% | 0.869 | 76% | 0.763 | S | S | * | * | trans | -121.4 | 112.4 | 153.5 | -93.3 | -173.7 | 159.7 | 0 | 0 | 108.9 | A73 C77 | A73-E75 PolarHBondContact O-N 2.69Å; A73-E75 VanDerWaalsContact O-N 3.14Å; E75-C77 PolarHBondContact O-N 3.01Å | ||
| 76 | K | 53.5 | Low | 55.6 | Low | 191 Ų | 191 | 143.7 Ų | 143.7 | 83% | 0.83 | 75% | 0.75 | S | S | * | * | trans | -58.2 | 83.1 | 168.6 | -78.5 | 164.7 | 172.8 | 169.5 | 0 | 108.8 | M78 | K76-M78 VanDerWaalsContact C-N 3.3Å; K76-M78 HydrophobicContact CB-CE 4.35Å; K76-M78 PolarHBondContact O-N 2.99Å | ||
| 77 | C | 58.7 | Low | 56.6 | Low | 120 Ų | 120 | 138.4 Ų | 138.4 | 81% | 0.811 | 74% | 0.735 | S | S | * | * | trans | -70.9 | 95.6 | 163.4 | -163.8 | 0 | 0 | 0 | 0 | 106.4 | E75 P79 | E75-C77 PolarHBondContact O-N 3.01Å; C77-P79 WeakPolarHBondContact O-CD 3.5Å | ||
| 78 | M | 58.3 | Low | 57.7 | Low | 144 Ų | 144 | 145 Ų | 145 | 71% | 0.709 | 74% | 0.742 | S | S | * | * | trans | -55.9 | 121.6 | 174.7 | -74.7 | -75 | 152.6 | 0 | 0 | 107.9 | K76 N80 | K76-M78 VanDerWaalsContact C-N 3.3Å; K76-M78 HydrophobicContact CB-CE 4.35Å; K76-M78 PolarHBondContact O-N 2.99Å; M78-N80 PolarHBondContact O-N 3Å | ||
| 79 | P | 56.9 | Low | 58.8 | Low | 113 Ų | 113 | 143.2 Ų | 143.2 | 73% | 0.734 | 73% | 0.731 | S | S | * | * | trans | -59 | 132.2 | 176.7 | 24 | -31.7 | 0 | 0 | 0 | 108.2 | C77 R81 | C77-P79 WeakPolarHBondContact O-CD 3.5Å; P79-R81 PolarHBondContact O-N 2.68Å | ||
| 80 | N | 60.1 | Low | 59.7 | Low | 137 Ų | 137 | 142.5 Ų | 142.5 | 73% | 0.733 | 72% | 0.722 | S | S | * | * | trans | -67.8 | 76.9 | -172.4 | -146.7 | 13.4 | 0 | 0 | 0 | 109.3 | M78 A82 A83 | M78-N80 PolarHBondContact O-N 3Å; N80-A82 PolarHBondContact O-N 3.02Å; N80-A83 PolarHBondContact O-N 2.93Å | ||
| 81 | R | 58.5 | Low | 60.3 | Low | 223 Ų | 223 | 141.8 Ų | 141.8 | 84% | 0.842 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.2 | -13.8 | -173.6 | -157.5 | 179.2 | -175.9 | -178.7 | 0.9 | 113.3 | P79 A83 | P79-R81 PolarHBondContact O-N 2.68Å; R81-A83 VanDerWaalsContact C-N 3.33Å |
| 82 | A | 58.5 | Low | 61.1 | Low | 78 Ų | 78 | 136 Ų | 136 | 65% | 0.645 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.4 | -22.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | N80 | N80-A82 PolarHBondContact O-N 3.02Š|
| 83 | A | 63.3 | Low | 61.9 | Low | 77 Ų | 77 | 131.2 Ų | 131.2 | 64% | 0.636 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74 | -27.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113 | N80 R81 | N80-A83 PolarHBondContact O-N 2.93Å; R81-A83 VanDerWaalsContact C-N 3.33Å |
| 84 | D | 65.4 | Low | 62.4 | Low | 142 Ų | 142 | 133.7 Ų | 133.7 | 76% | 0.759 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100 | 8.3 | -179.4 | -61.9 | -42 | 0 | 0 | 0 | 112.8 | L86 | D84-L86 PolarHBondContact O-N 2.99Š|
| 85 | D | 72.9 | Confident | 63.2 | Low | 90 Ų | 90 | 129.6 Ų | 129.6 | 48% | 0.481 | 72% | 0.715 | S | S | . | * | trans | -80.7 | 84.9 | 175 | -168.1 | -0.1 | 0 | 0 | 0 | 110.3 | S87 | D85-S87 VanDerWaalsContact C-N 3.26Å; D85-S87 WeakPolarHBondContact OD1-CB 3.34Å; D85-S87 PolarHBondContact OD1-N 3.32Å; D85-S87 VanDerWaalsContact OD1-N 3.15Å; D85-S87 PolarHBondContact OD1-OG 2.9Å | ||
| 86 | L | 69.4 | Low | 63.8 | Low | 101 Ų | 101 | 130.2 Ų | 130.2 | 53% | 0.529 | 74% | 0.741 | S | S | . | * | trans | -90 | 17.8 | 173.2 | -57.9 | 179.8 | 0 | 0 | 0 | 112.3 | D84 W88 I89 | D84-L86 PolarHBondContact O-N 2.99Å; L86-W88 PolarHBondContact O-N 2.96Å; L86-I89 HydrophobicContact CB-CD1 4.08Å; L86-I89 HydrophobicContact CB-CG1 4.34Å; L86-I89 HydrophobicContact CD1-CD1 4.34Å; L86-I89 HydrophobicContact CD2-CD1 3.81Å; L86-I89 HydrophobicContact CG-CD1 4.29Å; L86-I89 WeakPolarHBondContact O-CB 3.29Å; L86-I89 PolarHBondContact O-N 2.91Å | ||
| 87 | S | 72.3 | Confident | 64.3 | Low | 81 Ų | 81 | 127.2 Ų | 127.2 | 57% | 0.566 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59 | -20.2 | 178.6 | 60.4 | 0 | 0 | 0 | 0 | 113.6 | D85 I89 | D85-S87 VanDerWaalsContact C-N 3.26Å; D85-S87 WeakPolarHBondContact OD1-CB 3.34Å; D85-S87 PolarHBondContact OD1-N 3.32Å; D85-S87 VanDerWaalsContact OD1-N 3.15Å; D85-S87 PolarHBondContact OD1-OG 2.9Å; S87-I89 VanDerWaalsContact C-N 3.32Å |
| 88 | W | 72.5 | Confident | 64.6 | Low | 195 Ų | 195 | 127.6 Ų | 127.6 | 74% | 0.739 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.2 | -18.8 | 173.3 | 68 | -92 | 0 | 0 | 0 | 113.9 | L86 | L86-W88 PolarHBondContact O-N 2.96Š|
| 89 | I | 72.1 | Confident | 64.9 | Low | 99 Ų | 99 | 126.7 Ų | 126.7 | 51% | 0.508 | 73% | 0.733 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.6 | -33.9 | 178.4 | -61.4 | -175.5 | 0 | 0 | 0 | 110.7 | L86 S87 G91 | L86-I89 HydrophobicContact CB-CD1 4.08Å; L86-I89 HydrophobicContact CB-CG1 4.34Å; L86-I89 HydrophobicContact CD1-CD1 4.34Å; L86-I89 HydrophobicContact CD2-CD1 3.81Å; L86-I89 HydrophobicContact CG-CD1 4.29Å; L86-I89 WeakPolarHBondContact O-CB 3.29Å; L86-I89 PolarHBondContact O-N 2.91Å; S87-I89 VanDerWaalsContact C-N 3.32Å; I89-G91 PolarHBondContact O-N 2.91Å |
| 90 | E | 69.2 | Low | 65.4 | Low | 166 Ų | 166 | 127.5 Ų | 127.5 | 78% | 0.776 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -81.8 | 76.8 | 179 | -150.7 | 161.9 | -146.9 | 0 | 0 | 108.9 | S92 | E90-S92 PolarHBondContact O-N 2.99Å; E90-S92 VanDerWaalsContact O-N 3.07Å |
| 91 | G | 63 | Low | 65.7 | Low | 60 Ų | 60 | 126.9 Ų | 126.9 | 62% | 0.619 | 73% | 0.733 | S | S | * | * | trans | -51 | 116.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109 | I89 D93 | I89-G91 PolarHBondContact O-N 2.91Å; G91-D93 PolarHBondContact O-N 2.86Å; G91-D93 VanDerWaalsContact O-N 3.1Å | ||
| 92 | S | 62.7 | Low | 66.2 | Low | 106 Ų | 106 | 120.5 Ų | 120.5 | 74% | 0.741 | 73% | 0.726 | S | S | * | * | trans | -56.4 | 117.3 | -179.3 | -53.8 | 0 | 0 | 0 | 0 | 109.8 | E90 T94 | E90-S92 PolarHBondContact O-N 2.99Å; E90-S92 VanDerWaalsContact O-N 3.07Å; S92-T94 VanDerWaalsContact C-N 3.35Å; S92-T94 PolarHBondContact O-N 3.01Å | ||
| 93 | D | 60.8 | Low | 66.8 | Low | 164 Ų | 164 | 123.5 Ų | 123.5 | 88% | 0.877 | 73% | 0.732 | S | S | * | * | trans | -58.7 | 97.7 | 166.7 | -80.9 | -40.6 | 0 | 0 | 0 | 108.8 | G91 S95 | G91-D93 PolarHBondContact O-N 2.86Å; G91-D93 VanDerWaalsContact O-N 3.1Å; D93-S95 PolarHBondContact O-N 3.29Å | ||
| 94 | T | 61.3 | Low | 67 | Low | 134 Ų | 134 | 127.1 Ų | 127.1 | 82% | 0.822 | 74% | 0.739 | S | S | * | * | trans | -88.6 | 81.3 | 164.3 | 60.5 | 0 | 0 | 0 | 0 | 108.1 | S92 | S92-T94 VanDerWaalsContact C-N 3.35Å; S92-T94 PolarHBondContact O-N 3.01Å | ||
| 95 | S | 64.5 | Low | 67.2 | Low | 114 Ų | 114 | 125.8 Ų | 125.8 | 80% | 0.797 | 74% | 0.738 | S | S | * | * | trans | -121.4 | 102.1 | 156.7 | -75.6 | 0 | 0 | 0 | 0 | 108.1 | D93 | D93-S95 PolarHBondContact O-N 3.29Š| ||
| 96 | S | 65.6 | Low | 66.7 | Low | 200 Ų | 200 | 129.1 Ų | 129.1 | 100% | 1.399 | 76% | 0.761 | S | S | * | * | trans | -76.6 | 0 | 157.1 | -72.3 | 0 | 0 | 0 | 0 | 110.3 |
Retrieved 96 of 96 residues in 104.9 ms
(Link to these results)