| 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 | 32.4 | Very low | 52.5 | Low | 244 Ų | 244 | 157.2 Ų | 157.2 | 100% | 1.202 | 85% | 0.851 | S | S | * | * | 0 | 110.9 | 0 | -76.5 | 173 | 166 | 0 | 0 | 107.9 | Q3 | M1-Q3 PolarHBondContact O-N 3.45Š| |||
| 2 | V | 44.4 | Very low | 53.3 | Low | 144 Ų | 144 | 163 Ų | 163 | 87% | 0.873 | 85% | 0.851 | S | S | * | * | trans | -77.1 | 113.1 | -178.3 | 169.7 | 0 | 0 | 0 | 0 | 108.3 | A4 | V2-A4 PolarHBondContact O-N 3.41Š| ||
| 3 | Q | 44 | Very low | 53.8 | Low | 190 Ų | 190 | 155.2 Ų | 155.2 | 89% | 0.888 | 83% | 0.834 | S | S | * | * | trans | -74.8 | 102.6 | 165.7 | -78.3 | -167.2 | 40.3 | 0 | 0 | 107.8 | M1 S5 | M1-Q3 PolarHBondContact O-N 3.45Å; Q3-S5 PolarHBondContact O-N 3.16Å | ||
| 4 | A | 48.1 | Very low | 54.4 | Low | 92 Ų | 92 | 151.4 Ų | 151.4 | 76% | 0.76 | 83% | 0.826 | S | S | * | * | trans | -66.2 | 101.9 | 166.4 | 0 | 0 | 0 | 0 | 0 | 107.7 | V2 G6 | V2-A4 PolarHBondContact O-N 3.41Å; A4-G6 VanDerWaalsContact C-N 3.31Å; A4-G6 PolarHBondContact O-N 3.48Å | ||
| 5 | S | 54.4 | Low | 55.3 | Low | 113 Ų | 113 | 154.7 Ų | 154.7 | 79% | 0.79 | 83% | 0.829 | S | S | * | * | trans | -62.8 | 95.4 | 170.8 | 47.1 | 0 | 0 | 0 | 0 | 108.3 | Q3 H7 | Q3-S5 PolarHBondContact O-N 3.16Å; S5-H7 PolarHBondContact O-N 2.98Å | ||
| 6 | G | 56.1 | Low | 55.9 | Low | 72 Ų | 72 | 156 Ų | 156 | 74% | 0.742 | 83% | 0.831 | S | S | * | * | trans | -64.8 | 79.6 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | A4 R8 | A4-G6 VanDerWaalsContact C-N 3.31Å; A4-G6 PolarHBondContact O-N 3.48Å; G6-R8 VanDerWaalsContact C-N 3.25Å; G6-R8 PolarHBondContact O-N 2.91Å | ||
| 7 | H | 53.2 | Low | 56.6 | Low | 171 Ų | 171 | 151.9 Ų | 151.9 | 79% | 0.792 | 81% | 0.813 | S | S | * | * | trans | -67.9 | 92.5 | 169.3 | -163.7 | 72.3 | 0 | 0 | 0 | 106.9 | S5 R9 | S5-H7 PolarHBondContact O-N 2.98Å; H7-R9 PolarHBondContact O-N 3.48Å | ||
| 8 | R | 59.1 | Low | 57.6 | Low | 231 Ų | 231 | 147 Ų | 147 | 87% | 0.872 | 79% | 0.793 | S | S | * | * | trans | -46.2 | 112.3 | 171.5 | -80 | -173.1 | 163.8 | -147.8 | -2.5 | 107.3 | G6 S10 | G6-R8 VanDerWaalsContact C-N 3.25Å; G6-R8 PolarHBondContact O-N 2.91Å; R8-S10 PolarHBondContact O-N 2.64Å | ||
| 9 | R | 61.6 | Low | 58.6 | Low | 232 Ų | 232 | 149.7 Ų | 149.7 | 88% | 0.875 | 79% | 0.79 | S | S | * | * | trans | -48.1 | 109.4 | 169.1 | -77.4 | -178.7 | 176.6 | 102.3 | -0.7 | 106.6 | H7 T11 | H7-R9 PolarHBondContact O-N 3.48Å; R9-T11 VanDerWaalsContact C-N 3.28Å; R9-T11 PolarHBondContact O-N 3.38Å | ||
| 10 | S | 63.1 | Low | 59.6 | Low | 105 Ų | 105 | 146.2 Ų | 146.2 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | trans | -60 | 98.4 | 170.9 | 177.8 | 0 | 0 | 0 | 0 | 106.2 | R8 R12 | R8-S10 PolarHBondContact O-N 2.64Å; S10-R12 PolarHBondContact O-N 3.3Å | ||
| 11 | T | 61.1 | Low | 60.4 | Low | 135 Ų | 135 | 142.1 Ų | 142.1 | 83% | 0.828 | 76% | 0.759 | S | S | * | * | trans | -68.1 | 81.7 | 161.8 | -27.4 | 0 | 0 | 0 | 0 | 104 | R9 G13 | R9-T11 VanDerWaalsContact C-N 3.28Å; R9-T11 PolarHBondContact O-N 3.38Å; T11-G13 PolarHBondContact O-N 2.85Å | ||
| 12 | R | 62.5 | Low | 62.6 | Low | 227 Ų | 227 | 133.5 Ų | 133.5 | 86% | 0.857 | 72% | 0.717 | S | S | * | * | trans | -53.5 | 98.7 | 172.2 | 177.9 | -179.4 | 177.8 | -179.9 | -0.3 | 105 | S10 S14 | S10-R12 PolarHBondContact O-N 3.3Å; R12-S14 PolarHBondContact O-N 3.19Å | ||
| 13 | G | 59.8 | Low | 64.3 | Low | 61 Ų | 61 | 128.6 Ų | 128.6 | 63% | 0.629 | 69% | 0.692 | S | S | * | * | trans | -53.5 | 104.4 | -173.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | T11 K15 | T11-G13 PolarHBondContact O-N 2.85Å; G13-K15 PolarHBondContact O-N 3.04Å | ||
| 14 | S | 62.4 | Low | 66.2 | Low | 103 Ų | 103 | 126 Ų | 126 | 72% | 0.72 | 68% | 0.678 | S | S | * | * | trans | -60.4 | 109.5 | 167 | -176.7 | 0 | 0 | 0 | 0 | 104.3 | R12 M16 | R12-S14 PolarHBondContact O-N 3.19Å; S14-M16 PolarHBondContact O-N 2.92Å | ||
| 15 | K | 66.7 | Low | 67.6 | Low | 201 Ų | 201 | 125.9 Ų | 125.9 | 87% | 0.874 | 66% | 0.663 | S | S | * | * | trans | -63.5 | 93.4 | 173.6 | -75.6 | 176.1 | 176.6 | 171.7 | 0 | 105.6 | G13 V17 | G13-K15 PolarHBondContact O-N 3.04Å; K15-V17 PolarHBondContact O-N 3.15Å; K15-V17 VanDerWaalsContact O-N 3.1Å | ||
| 16 | M | 66 | Low | 68.7 | Low | 175 Ų | 175 | 125.8 Ų | 125.8 | 86% | 0.862 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 119.3 | 173 | -76.9 | 179.1 | 68 | 0 | 0 | 106.6 | S14 S18 | S14-M16 PolarHBondContact O-N 2.92Å; M16-S18 PolarHBondContact O-N 3.41Å |
| 17 | V | 66.6 | Low | 69.9 | Low | 86 Ų | 86 | 126.6 Ų | 126.6 | 52% | 0.521 | 64% | 0.635 | S | S | . | * | P | Polyproline II helix | trans | -52.2 | 127.5 | 174.2 | 169.8 | 0 | 0 | 0 | 0 | 107.1 | K15 W19 V21 I22 | K15-V17 PolarHBondContact O-N 3.15Å; K15-V17 VanDerWaalsContact O-N 3.1Å; V17-W19 PolarHBondContact O-N 3.22Å; V17-V21 HydrophobicContact CG1-CB 3.57Å; V17-V21 HydrophobicContact CG1-CG1 3.46Å; V17-V21 VanDerWaalsContact CG1-CG1 3.46Å; V17-V21 HydrophobicContact CG1-CG2 4.47Å; V17-I22 HydrophobicContact CG1-CG1 4.07Å |
| 18 | S | 74.8 | Confident | 71.1 | Confident | 64 Ų | 64 | 122.9 Ų | 122.9 | 45% | 0.448 | 62% | 0.62 | S | S | . | * | P | Polyproline II helix | trans | -53.4 | 139.5 | -177.1 | 61.6 | 0 | 0 | 0 | 0 | 110.1 | M16 S20 V21 I22 | M16-S18 PolarHBondContact O-N 3.41Å; S18-S20 PolarHBondContact O-N 3Å; S18-V21 WeakPolarHBondContact O-CB 3.39Å; S18-V21 PolarHBondContact O-N 2.92Å; S18-V21 VanDerWaalsContact OG-CG2 3.29Å; S18-V21 WeakPolarHBondContact OG-CG2 3.35Å; S18-I22 PolarHBondContact O-N 3.38Å |
| 19 | W | 77.8 | Confident | 71.7 | Confident | 198 Ų | 198 | 116.2 Ų | 116.2 | 75% | 0.75 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -48.1 | -37.3 | 178.3 | -176.4 | -107.7 | 0 | 0 | 0 | 113 | V17 V21 I22 A23 | V17-W19 PolarHBondContact O-N 3.22Å; W19-V21 VanDerWaalsContact C-N 3.29Å; W19-V21 PolarHBondContact O-N 3.43Å; W19-I22 WeakPolarHBondContact O-CB 3.45Å; W19-I22 PolarHBondContact O-N 3.39Å; W19-I22 VanDerWaalsContact O-N 3.15Å; W19-A23 PolarHBondContact O-N 2.92Å |
| 20 | S | 77.2 | Confident | 72.4 | Confident | 79 Ų | 79 | 111.4 Ų | 111.4 | 55% | 0.552 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -59.6 | -34.3 | 177 | -41.7 | 0 | 0 | 0 | 0 | 113.9 | S18 K24 | S18-S20 PolarHBondContact O-N 3Å; S20-K24 WeakPolarHBondContact O-CG 3.37Å; S20-K24 PolarHBondContact O-N 3.47Å |
| 21 | V | 76.9 | Confident | 73.2 | Confident | 62 Ų | 62 | 113.6 Ų | 113.6 | 38% | 0.376 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -76.1 | -38 | 177.3 | 170.6 | 0 | 0 | 0 | 0 | 110.3 | V17 S18 W19 K24 I25 | V17-V21 HydrophobicContact CG1-CB 3.57Å; V17-V21 HydrophobicContact CG1-CG1 3.46Å; V17-V21 VanDerWaalsContact CG1-CG1 3.46Å; V17-V21 HydrophobicContact CG1-CG2 4.47Å; S18-V21 WeakPolarHBondContact O-CB 3.39Å; S18-V21 PolarHBondContact O-N 2.92Å; S18-V21 VanDerWaalsContact OG-CG2 3.29Å; S18-V21 WeakPolarHBondContact OG-CG2 3.35Å; W19-V21 VanDerWaalsContact C-N 3.29Å; W19-V21 PolarHBondContact O-N 3.43Å; V21-K24 PolarHBondContact O-N 3.38Å; V21-I25 HydrophobicContact CG1-CD1 3.78Å; V21-I25 HydrophobicContact CG1-CG1 4.43Å; V21-I25 WeakPolarHBondContact O-CD1 3.29Å; V21-I25 VanDerWaalsContact O-CG1 3.22Å; V21-I25 WeakPolarHBondContact O-CG1 3.47Å; V21-I25 PolarHBondContact O-N 3.03Å |
| 22 | I | 79.6 | Confident | 74.1 | Confident | 63 Ų | 63 | 113.1 Ų | 113.1 | 32% | 0.323 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -63 | -45.7 | 175.6 | -57.8 | 178.4 | 0 | 0 | 0 | 110.4 | V17 S18 W19 K24 I25 Q26 | V17-I22 HydrophobicContact CG1-CG1 4.07Å; S18-I22 PolarHBondContact O-N 3.38Å; W19-I22 WeakPolarHBondContact O-CB 3.45Å; W19-I22 PolarHBondContact O-N 3.39Å; W19-I22 VanDerWaalsContact O-N 3.15Å; I22-K24 PolarHBondContact O-N 2.97Å; I22-I25 PolarHBondContact O-N 2.98Å; I22-Q26 WeakPolarHBondContact O-CG 3.5Å; I22-Q26 PolarHBondContact O-N 3.37Å |
| 23 | A | 80 | Confident | 74.8 | Confident | 40 Ų | 40 | 107.7 Ų | 107.7 | 33% | 0.331 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -60.1 | -43.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | W19 I25 Q26 E27 | W19-A23 PolarHBondContact O-N 2.92Å; A23-I25 PolarHBondContact O-N 3.25Å; A23-Q26 PolarHBondContact O-N 3Å; A23-E27 WeakPolarHBondContact O-CB 3.45Å; A23-E27 PolarHBondContact O-N 3.46Å |
| 24 | K | 82.8 | Confident | 75.6 | Confident | 137 Ų | 137 | 109.2 Ų | 109.2 | 60% | 0.596 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -62.2 | -41.9 | 175 | -78.2 | 178.3 | 176.3 | -178.1 | 0 | 112.5 | S20 V21 I22 E27 I28 | S20-K24 WeakPolarHBondContact O-CG 3.37Å; S20-K24 PolarHBondContact O-N 3.47Å; V21-K24 PolarHBondContact O-N 3.38Å; I22-K24 PolarHBondContact O-N 2.97Å; K24-E27 PolarHBondContact O-N 3.37Å; K24-I28 WeakPolarHBondContact O-CD1 3.41Å; K24-I28 WeakPolarHBondContact O-CG1 3.35Å; K24-I28 PolarHBondContact O-N 2.91Å |
| 25 | I | 77.8 | Confident | 76.4 | Confident | 89 Ų | 89 | 113.5 Ų | 113.5 | 46% | 0.456 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -63.4 | -44.3 | 177.2 | -70.2 | 164.9 | 0 | 0 | 0 | 110 | V21 I22 A23 I28 L29 | V21-I25 HydrophobicContact CG1-CD1 3.78Å; V21-I25 HydrophobicContact CG1-CG1 4.43Å; V21-I25 WeakPolarHBondContact O-CD1 3.29Å; V21-I25 VanDerWaalsContact O-CG1 3.22Å; V21-I25 WeakPolarHBondContact O-CG1 3.47Å; V21-I25 PolarHBondContact O-N 3.03Å; I22-I25 PolarHBondContact O-N 2.98Å; A23-I25 PolarHBondContact O-N 3.25Å; I25-I28 PolarHBondContact O-N 3.41Å; I25-L29 HydrophobicContact CG2-CD1 3.74Å; I25-L29 HydrophobicContact CG2-CG 4.3Å; I25-L29 WeakPolarHBondContact O-CB 3.47Å; I25-L29 VanDerWaalsContact O-CG 3.23Å; I25-L29 WeakPolarHBondContact O-CG 3.36Å; I25-L29 PolarHBondContact O-N 2.91Å |
| 26 | Q | 77.3 | Confident | 77.2 | Confident | 111 Ų | 111 | 110 Ų | 110 | 52% | 0.519 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62 | -44.2 | 176.4 | -74.5 | 176.8 | -32.2 | 0 | 0 | 112.1 | I22 A23 I28 L29 Q30 | I22-Q26 WeakPolarHBondContact O-CG 3.5Å; I22-Q26 PolarHBondContact O-N 3.37Å; A23-Q26 PolarHBondContact O-N 3Å; Q26-I28 PolarHBondContact O-N 3.31Å; Q26-L29 PolarHBondContact O-N 3.48Å; Q26-Q30 WeakPolarHBondContact O-CB 3.46Å; Q26-Q30 WeakPolarHBondContact O-CG 3.46Å; Q26-Q30 PolarHBondContact O-N 3.36Å |
| 27 | E | 82.8 | Confident | 77.8 | Confident | 89 Ų | 89 | 108.1 Ų | 108.1 | 42% | 0.416 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.5 | -42.8 | 177.4 | -171.3 | -173.7 | 169.7 | 0 | 0 | 111.9 | A23 K24 R31 | A23-E27 WeakPolarHBondContact O-CB 3.45Å; A23-E27 PolarHBondContact O-N 3.46Å; K24-E27 PolarHBondContact O-N 3.37Å; E27-R31 WeakPolarHBondContact O-CB 3.42Å; E27-R31 WeakPolarHBondContact O-CG 3.44Å; E27-R31 PolarHBondContact O-N 3Å; E27-R31 IonicContact OE1-CZ 3.09Å; E27-R31 IonicContact OE1-NE 3.86Å; E27-R31 IonicContact OE1-NH1 3.38Å; E27-R31 PolarHBondContact OE1-NH1 2.98Å; E27-R31 IonicContact OE1-NH2 2.64Å; E27-R31 PolarHBondContact OE1-NH2 2.96Å |
| 28 | I | 78.3 | Confident | 78.5 | Confident | 93 Ų | 93 | 108.7 Ų | 108.7 | 48% | 0.477 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.7 | -44.6 | 177.1 | -67.9 | 164.9 | 0 | 0 | 0 | 110.8 | K24 I25 Q26 R31 K32 | K24-I28 WeakPolarHBondContact O-CD1 3.41Å; K24-I28 WeakPolarHBondContact O-CG1 3.35Å; K24-I28 PolarHBondContact O-N 2.91Å; I25-I28 PolarHBondContact O-N 3.41Å; Q26-I28 PolarHBondContact O-N 3.31Å; I28-R31 PolarHBondContact O-N 2.78Å; I28-K32 HydrophobicContact CG2-CD 4.42Å; I28-K32 WeakPolarHBondContact O-CG 3.48Å; I28-K32 PolarHBondContact O-N 2.86Å |
| 29 | L | 70.8 | Confident | 78.9 | Confident | 90 Ų | 90 | 108.3 Ų | 108.3 | 47% | 0.471 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.3 | -44.8 | 178.1 | -73 | 171.4 | 0 | 0 | 0 | 111.2 | I25 Q26 R31 K32 M33 | I25-L29 HydrophobicContact CG2-CD1 3.74Å; I25-L29 HydrophobicContact CG2-CG 4.3Å; I25-L29 WeakPolarHBondContact O-CB 3.47Å; I25-L29 VanDerWaalsContact O-CG 3.23Å; I25-L29 WeakPolarHBondContact O-CG 3.36Å; I25-L29 PolarHBondContact O-N 2.91Å; Q26-L29 PolarHBondContact O-N 3.48Å; L29-R31 PolarHBondContact O-N 2.83Å; L29-K32 PolarHBondContact O-N 2.94Å; L29-M33 WeakPolarHBondContact O-CG 3.47Å; L29-M33 PolarHBondContact O-N 3.21Å |
| 30 | Q | 75.6 | Confident | 79.1 | Confident | 131 Ų | 131 | 105.4 Ų | 105.4 | 61% | 0.612 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.2 | -43.3 | 176.3 | -74.1 | -152.6 | -23.2 | 0 | 0 | 112 | Q26 K32 M33 V34 | Q26-Q30 WeakPolarHBondContact O-CB 3.46Å; Q26-Q30 WeakPolarHBondContact O-CG 3.46Å; Q26-Q30 PolarHBondContact O-N 3.36Å; Q30-K32 VanDerWaalsContact C-N 3.32Å; Q30-K32 PolarHBondContact O-N 3.45Å; Q30-M33 HydrophobicContact CG-CE 4.36Å; Q30-M33 PolarHBondContact O-N 3.1Å; Q30-V34 WeakPolarHBondContact O-CB 3.22Å; Q30-V34 WeakPolarHBondContact O-CG2 3.46Å; Q30-V34 PolarHBondContact O-N 2.76Å |
| 31 | R | 80.9 | Confident | 79.1 | Confident | 152 Ų | 152 | 107.1 Ų | 107.1 | 57% | 0.574 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.6 | -37.4 | 176 | -77.2 | -179.3 | 178.2 | 160.2 | 8.3 | 113.1 | E27 I28 L29 R35 | E27-R31 WeakPolarHBondContact O-CB 3.42Å; E27-R31 WeakPolarHBondContact O-CG 3.44Å; E27-R31 PolarHBondContact O-N 3Å; E27-R31 IonicContact OE1-CZ 3.09Å; E27-R31 IonicContact OE1-NE 3.86Å; E27-R31 IonicContact OE1-NH1 3.38Å; E27-R31 PolarHBondContact OE1-NH1 2.98Å; E27-R31 IonicContact OE1-NH2 2.64Å; E27-R31 PolarHBondContact OE1-NH2 2.96Å; I28-R31 PolarHBondContact O-N 2.78Å; L29-R31 PolarHBondContact O-N 2.83Å; R31-R35 VanDerWaalsContact O-CG 3.29Å; R31-R35 WeakPolarHBondContact O-CG 3.22Å; R31-R35 PolarHBondContact O-N 3.04Å |
| 32 | K | 79.3 | Confident | 79.1 | Confident | 124 Ų | 124 | 108.7 Ų | 108.7 | 54% | 0.539 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -68.1 | -49.8 | 176 | -76.7 | -176.7 | 173.2 | -173.5 | 0 | 111.5 | I28 L29 Q30 V34 R35 E36 | I28-K32 HydrophobicContact CG2-CD 4.42Å; I28-K32 WeakPolarHBondContact O-CG 3.48Å; I28-K32 PolarHBondContact O-N 2.86Å; L29-K32 PolarHBondContact O-N 2.94Å; Q30-K32 VanDerWaalsContact C-N 3.32Å; Q30-K32 PolarHBondContact O-N 3.45Å; K32-V34 VanDerWaalsContact C-N 3.32Å; K32-V34 PolarHBondContact O-N 2.88Å; K32-R35 PolarHBondContact O-N 3.2Å; K32-R35 VanDerWaalsContact O-N 3.11Å; K32-E36 PolarHBondContact O-N 2.98Å |
| 33 | M | 77.7 | Confident | 78.9 | Confident | 113 Ų | 113 | 109.2 Ų | 109.2 | 56% | 0.557 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -60.3 | -40.2 | 177.9 | -69.4 | -171.5 | -59.2 | 0 | 0 | 112.1 | L29 Q30 R35 E36 F37 | L29-M33 WeakPolarHBondContact O-CG 3.47Å; L29-M33 PolarHBondContact O-N 3.21Å; Q30-M33 HydrophobicContact CG-CE 4.36Å; Q30-M33 PolarHBondContact O-N 3.1Å; M33-R35 VanDerWaalsContact C-N 3.34Å; M33-R35 PolarHBondContact O-N 3.42Å; M33-E36 PolarHBondContact O-N 2.81Å; M33-F37 WeakPolarHBondContact O-CB 3.23Å; M33-F37 PolarHBondContact O-N 2.8Å |
| 34 | V | 76.9 | Confident | 78.6 | Confident | 93 Ų | 93 | 111.3 Ų | 111.3 | 56% | 0.564 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -64.5 | -38.1 | 176.3 | 169.5 | 0 | 0 | 0 | 0 | 111.7 | Q30 K32 L38 | Q30-V34 WeakPolarHBondContact O-CB 3.22Å; Q30-V34 WeakPolarHBondContact O-CG2 3.46Å; Q30-V34 PolarHBondContact O-N 2.76Å; K32-V34 VanDerWaalsContact C-N 3.32Å; K32-V34 PolarHBondContact O-N 2.88Å; V34-L38 WeakPolarHBondContact O-CB 3.35Å; V34-L38 PolarHBondContact O-N 3.48Å |
| 35 | R | 78.4 | Confident | 78 | Confident | 193 Ų | 193 | 110.4 Ų | 110.4 | 73% | 0.728 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -70.3 | -43.5 | 177.7 | -76.3 | 176.7 | 177 | -162.4 | -0.9 | 112.2 | R31 K32 M33 L38 A39 | R31-R35 VanDerWaalsContact O-CG 3.29Å; R31-R35 WeakPolarHBondContact O-CG 3.22Å; R31-R35 PolarHBondContact O-N 3.04Å; K32-R35 PolarHBondContact O-N 3.2Å; K32-R35 VanDerWaalsContact O-N 3.11Å; M33-R35 VanDerWaalsContact C-N 3.34Å; M33-R35 PolarHBondContact O-N 3.42Å; R35-L38 PolarHBondContact O-N 3.04Å; R35-A39 WeakPolarHBondContact O-CB 3.38Å; R35-A39 PolarHBondContact O-N 3.47Å |
| 36 | E | 83.9 | Confident | 77.7 | Confident | 128 Ų | 128 | 108.6 Ų | 108.6 | 60% | 0.598 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.2 | -46.4 | 176.4 | -73 | 169.7 | -171.9 | 0 | 0 | 110.6 | K32 M33 L38 A39 E40 | K32-E36 PolarHBondContact O-N 2.98Å; M33-E36 PolarHBondContact O-N 2.81Å; E36-L38 PolarHBondContact O-N 3.47Å; E36-A39 PolarHBondContact O-N 2.97Å; E36-E40 WeakPolarHBondContact O-CB 3.34Å; E36-E40 PolarHBondContact O-N 2.75Å |
| 37 | F | 79 | Confident | 77.2 | Confident | 136 Ų | 136 | 110.1 Ų | 110.1 | 60% | 0.596 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -58.7 | -46.1 | 173.8 | 177 | -99 | 0 | 0 | 0 | 112.3 | M33 A39 E40 F41 | M33-F37 WeakPolarHBondContact O-CB 3.23Å; M33-F37 PolarHBondContact O-N 2.8Å; F37-A39 VanDerWaalsContact C-N 3.33Å; F37-A39 PolarHBondContact O-N 2.89Å; F37-E40 PolarHBondContact O-N 2.87Å; F37-F41 WeakPolarHBondContact O-CB 3.35Å; F37-F41 PolarHBondContact O-N 2.85Å |
| 38 | L | 80.1 | Confident | 76.4 | Confident | 98 Ų | 98 | 112.3 Ų | 112.3 | 51% | 0.513 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -65.2 | -38.3 | 178.4 | -174.8 | 65.2 | 0 | 0 | 0 | 111.5 | V34 R35 E36 M42 | V34-L38 WeakPolarHBondContact O-CB 3.35Å; V34-L38 PolarHBondContact O-N 3.48Å; R35-L38 PolarHBondContact O-N 3.04Å; E36-L38 PolarHBondContact O-N 3.47Å; L38-M42 HydrophobicContact CD1-CG 4.29Å; L38-M42 HydrophobicContact CG-CG 4.36Å; L38-M42 VanDerWaalsContact O-CB 3.23Å; L38-M42 WeakPolarHBondContact O-CB 3.29Å; L38-M42 WeakPolarHBondContact O-CG 3.42Å; L38-M42 PolarHBondContact O-N 3.29Å |
| 39 | A | 84 | Confident | 75.4 | Confident | 55 Ų | 55 | 116.3 Ų | 116.3 | 46% | 0.455 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -66.3 | -42.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | R35 E36 F37 S43 | R35-A39 WeakPolarHBondContact O-CB 3.38Å; R35-A39 PolarHBondContact O-N 3.47Å; E36-A39 PolarHBondContact O-N 2.97Å; F37-A39 VanDerWaalsContact C-N 3.33Å; F37-A39 PolarHBondContact O-N 2.89Å; A39-S43 VanDerWaalsContact O-CB 3.29Å; A39-S43 WeakPolarHBondContact O-CB 3.17Å; A39-S43 PolarHBondContact O-N 3.47Å; A39-S43 PolarHBondContact O-OG 3.1Å |
| 40 | E | 81.1 | Confident | 74.7 | Confident | 137 Ų | 137 | 119.4 Ų | 119.4 | 64% | 0.64 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -68.3 | -41.8 | 177.4 | -170.6 | 169.3 | -172.2 | 0 | 0 | 111.7 | E36 F37 S43 T44 | E36-E40 WeakPolarHBondContact O-CB 3.34Å; E36-E40 PolarHBondContact O-N 2.75Å; F37-E40 PolarHBondContact O-N 2.87Å; E40-S43 PolarHBondContact O-N 3.11Å; E40-T44 WeakPolarHBondContact O-CB 3.23Å; E40-T44 PolarHBondContact O-N 3.42Å; E40-T44 PolarHBondContact O-OG1 3.18Å |
| 41 | F | 77.6 | Confident | 73.5 | Confident | 115 Ų | 115 | 116 Ų | 116 | 50% | 0.504 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -62.1 | -48.7 | 173.1 | -178 | -96.4 | 0 | 0 | 0 | 111.7 | F37 S43 T44 Y45 | F37-F41 WeakPolarHBondContact O-CB 3.35Å; F37-F41 PolarHBondContact O-N 2.85Å; F41-S43 VanDerWaalsContact C-N 3.33Å; F41-S43 PolarHBondContact O-N 2.88Å; F41-T44 PolarHBondContact O-N 3.4Å; F41-Y45 VanDerWaalsContact O-CB 3.27Å; F41-Y45 WeakPolarHBondContact O-CB 3.39Å; F41-Y45 PolarHBondContact O-N 3.48Å |
| 42 | M | 77.9 | Confident | 71.9 | Confident | 95 Ų | 95 | 113.6 Ų | 113.6 | 47% | 0.468 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -62.7 | -39.8 | 177 | -74.1 | -66.2 | -61.4 | 0 | 0 | 111.7 | L38 Y45 V46 | L38-M42 HydrophobicContact CD1-CG 4.29Å; L38-M42 HydrophobicContact CG-CG 4.36Å; L38-M42 VanDerWaalsContact O-CB 3.23Å; L38-M42 WeakPolarHBondContact O-CB 3.29Å; L38-M42 WeakPolarHBondContact O-CG 3.42Å; L38-M42 PolarHBondContact O-N 3.29Å; M42-Y45 PolarHBondContact O-N 3.39Å; M42-V46 VanDerWaalsContact O-CB 3.23Å; M42-V46 WeakPolarHBondContact O-CB 3.46Å; M42-V46 WeakPolarHBondContact O-CG2 3.47Å; M42-V46 PolarHBondContact O-N 3.26Å |
| 43 | S | 73.8 | Confident | 70.4 | Confident | 74 Ų | 74 | 115.2 Ų | 115.2 | 52% | 0.517 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -65.7 | -39.5 | 177.4 | -58.7 | 0 | 0 | 0 | 0 | 111.8 | A39 E40 F41 M47 | A39-S43 VanDerWaalsContact O-CB 3.29Å; A39-S43 WeakPolarHBondContact O-CB 3.17Å; A39-S43 PolarHBondContact O-N 3.47Å; A39-S43 PolarHBondContact O-OG 3.1Å; E40-S43 PolarHBondContact O-N 3.11Å; F41-S43 VanDerWaalsContact C-N 3.33Å; F41-S43 PolarHBondContact O-N 2.88Å; S43-M47 WeakPolarHBondContact O-CB 3.35Å; S43-M47 PolarHBondContact O-N 3.36Å |
| 44 | T | 73.9 | Confident | 69.3 | Low | 84 Ų | 84 | 118.3 Ų | 118.3 | 52% | 0.515 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -70.6 | -42.3 | 176 | -53.7 | 0 | 0 | 0 | 0 | 111.5 | E40 F41 M47 M48 | E40-T44 WeakPolarHBondContact O-CB 3.23Å; E40-T44 PolarHBondContact O-N 3.42Å; E40-T44 PolarHBondContact O-OG1 3.18Å; F41-T44 PolarHBondContact O-N 3.4Å; T44-M47 PolarHBondContact O-N 3.32Å; T44-M48 VanDerWaalsContact O-CB 3.25Å; T44-M48 WeakPolarHBondContact O-CB 3.45Å; T44-M48 PolarHBondContact O-N 2.91Å |
| 45 | Y | 71.6 | Confident | 67.7 | Low | 118 Ų | 118 | 124 Ų | 124 | 46% | 0.463 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -63.9 | -42.1 | 176.5 | -179 | -99.4 | 0 | 0 | 0 | 111.7 | F41 M42 M48 R49 | F41-Y45 VanDerWaalsContact O-CB 3.27Å; F41-Y45 WeakPolarHBondContact O-CB 3.39Å; F41-Y45 PolarHBondContact O-N 3.48Å; M42-Y45 PolarHBondContact O-N 3.39Å; Y45-M48 PolarHBondContact O-N 2.83Å; Y45-R49 WeakPolarHBondContact O-CB 3.4Å; Y45-R49 PolarHBondContact O-N 2.91Å |
| 46 | V | 70.7 | Confident | 66.2 | Low | 52 Ų | 52 | 118.3 Ų | 118.3 | 32% | 0.315 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -67.2 | -44.2 | 174.5 | 170.1 | 0 | 0 | 0 | 0 | 110.4 | M42 M48 R49 E50 | M42-V46 VanDerWaalsContact O-CB 3.23Å; M42-V46 WeakPolarHBondContact O-CB 3.46Å; M42-V46 WeakPolarHBondContact O-CG2 3.47Å; M42-V46 PolarHBondContact O-N 3.26Å; V46-M48 VanDerWaalsContact C-N 3.31Å; V46-M48 PolarHBondContact O-N 3Å; V46-R49 CarbonylContact O-C 3.56Å; V46-R49 PolarHBondContact O-N 3.16Å; V46-R49 VanDerWaalsContact O-N 3.16Å; V46-E50 HydrophobicContact CG1-CG 4.05Å; V46-E50 WeakPolarHBondContact CG1-OE2 3.23Å; V46-E50 WeakPolarHBondContact O-CA 3.18Å; V46-E50 WeakPolarHBondContact O-CB 3.12Å; V46-E50 PolarHBondContact O-N 2.99Å |
| 47 | M | 66.4 | Low | 64.4 | Low | 142 Ų | 142 | 117 Ų | 117 | 70% | 0.7 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -62.3 | -36.4 | 174.7 | -173 | 180 | -67.8 | 0 | 0 | 112.8 | S43 T44 G51 | S43-M47 WeakPolarHBondContact O-CB 3.35Å; S43-M47 PolarHBondContact O-N 3.36Å; T44-M47 PolarHBondContact O-N 3.32Å; M47-G51 VanDerWaalsContact O-CA 3.25Å; M47-G51 WeakPolarHBondContact O-CA 3.18Å; M47-G51 PolarHBondContact O-N 3.49Å |
| 48 | M | 67.1 | Low | 63.1 | Low | 136 Ų | 136 | 114 Ų | 114 | 67% | 0.67 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -70.5 | -38.9 | 174 | -169 | 174.4 | -175.5 | 0 | 0 | 111.2 | T44 Y45 V46 D52 | T44-M48 VanDerWaalsContact O-CB 3.25Å; T44-M48 WeakPolarHBondContact O-CB 3.45Å; T44-M48 PolarHBondContact O-N 2.91Å; Y45-M48 PolarHBondContact O-N 2.83Å; V46-M48 VanDerWaalsContact C-N 3.31Å; V46-M48 PolarHBondContact O-N 3Å; M48-D52 VanDerWaalsContact O-CG 3.28Å; M48-D52 PolarHBondContact O-N 2.76Å |
| 49 | R | 56.6 | Low | 61.8 | Low | 176 Ų | 176 | 117.8 Ų | 117.8 | 66% | 0.664 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -81.7 | -27.6 | -178.6 | -166.5 | -174.8 | -178.6 | -158.4 | 1.6 | 114.3 | Y45 V46 | Y45-R49 WeakPolarHBondContact O-CB 3.4Å; Y45-R49 PolarHBondContact O-N 2.91Å; V46-R49 CarbonylContact O-C 3.56Å; V46-R49 PolarHBondContact O-N 3.16Å; V46-R49 VanDerWaalsContact O-N 3.16Å |
| 50 | E | 55.7 | Low | 60.2 | Low | 155 Ų | 155 | 122.5 Ų | 122.5 | 72% | 0.724 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -95.5 | -17.6 | 175.4 | -70.9 | 174.2 | 172.5 | 0 | 0 | 111.8 | V46 | V46-E50 HydrophobicContact CG1-CG 4.05Å; V46-E50 WeakPolarHBondContact CG1-OE2 3.23Å; V46-E50 WeakPolarHBondContact O-CA 3.18Å; V46-E50 WeakPolarHBondContact O-CB 3.12Å; V46-E50 PolarHBondContact O-N 2.99Å |
| 51 | G | 50.8 | Low | 58.9 | Low | 59 Ų | 59 | 117 Ų | 117 | 61% | 0.608 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -83.3 | -16.3 | 169.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | M47 D53 | M47-G51 VanDerWaalsContact O-CA 3.25Å; M47-G51 WeakPolarHBondContact O-CA 3.18Å; M47-G51 PolarHBondContact O-N 3.49Å; G51-D53 VanDerWaalsContact C-N 3.3Å; G51-D53 PolarHBondContact O-N 3.45Å; G51-D53 VanDerWaalsContact O-N 3.08Å |
| 52 | D | 47.8 | Very low | 57.7 | Low | 103 Ų | 103 | 116 Ų | 116 | 55% | 0.551 | 62% | 0.621 | S | S | * | * | trans | -79.9 | 80.4 | 165.8 | -73.5 | -30.7 | 0 | 0 | 0 | 109.6 | M48 W54 | M48-D52 VanDerWaalsContact O-CG 3.28Å; M48-D52 PolarHBondContact O-N 2.76Å; D52-W54 PolarHBondContact O-N 3.39Å; D52-W54 VanDerWaalsContact O-N 3.13Å | ||
| 53 | D | 48.3 | Very low | 56.6 | Low | 157 Ų | 157 | 116.2 Ų | 116.2 | 84% | 0.84 | 63% | 0.631 | S | S | * | * | trans | -54.2 | 117.8 | 142.9 | -112.5 | -22.6 | 0 | 0 | 0 | 106.8 | G51 F55 | G51-D53 VanDerWaalsContact C-N 3.3Å; G51-D53 PolarHBondContact O-N 3.45Å; G51-D53 VanDerWaalsContact O-N 3.08Å; D53-F55 PolarHBondContact O-N 2.92Å | ||
| 54 | W | 52.9 | Low | 55.7 | Low | 178 Ų | 178 | 118.4 Ų | 118.4 | 67% | 0.674 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -57.6 | 68.2 | -178.4 | -92.3 | 81.6 | 0 | 0 | 0 | 113.6 | D52 S61 | D52-W54 PolarHBondContact O-N 3.39Å; D52-W54 VanDerWaalsContact O-N 3.13Å; W54-S61 VanDerWaalsContact CZ3-CB 3.4Å |
| 55 | F | 44.7 | Very low | 54.9 | Low | 212 Ų | 212 | 120.5 Ų | 120.5 | 93% | 0.93 | 64% | 0.635 | S | S | * | * | trans | -143.1 | 58.7 | -179.6 | -130.3 | -87.8 | 0 | 0 | 0 | 112.6 | D53 | D53-F55 PolarHBondContact O-N 2.92Š| ||
| 56 | G | 47.3 | Very low | 54.4 | Low | 74 Ų | 74 | 116.4 Ų | 116.4 | 76% | 0.763 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -164.9 | -12.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 119 | ||
| 57 | V | 45.1 | Very low | 54 | Low | 101 Ų | 101 | 118.4 Ų | 118.4 | 61% | 0.612 | 64% | 0.637 | S | S | * | * | trans | -121.8 | 80.3 | 175.7 | -174.2 | 0 | 0 | 0 | 0 | 109.2 | E59 E60 S61 | V57-E59 VanDerWaalsContact C-N 3.33Å; V57-E59 PolarHBondContact O-N 3.45Å; V57-E60 HydrophobicContact CG1-CB 4.19Å; V57-S61 PolarHBondContact O-OG 2.93Å | ||
| 58 | G | 51.7 | Low | 53.6 | Low | 73 Ų | 73 | 120.3 Ų | 120.3 | 75% | 0.753 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.3 | 4.9 | -170 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||
| 59 | E | 53.6 | Low | 53.4 | Low | 177 Ų | 177 | 121.4 Ų | 121.4 | 83% | 0.827 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.1 | -30.1 | -179.3 | -86.3 | -178.5 | 115.5 | 0 | 0 | 115.8 | V57 S61 T62 | V57-E59 VanDerWaalsContact C-N 3.33Å; V57-E59 PolarHBondContact O-N 3.45Å; E59-S61 VanDerWaalsContact C-N 3.34Å; E59-S61 PolarHBondContact O-N 3.1Å; E59-T62 PolarHBondContact O-OG1 2.86Å |
| 60 | E | 50.3 | Low | 53.9 | Low | 155 Ų | 155 | 116.3 Ų | 116.3 | 72% | 0.724 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | -14 | -174.8 | -138.5 | 175.3 | 152.7 | 0 | 0 | 114 | V57 | V57-E60 HydrophobicContact CG1-CB 4.19Š|
| 61 | S | 52.2 | Low | 54.3 | Low | 20 Ų | 20 | 114.5 Ų | 114.5 | 14% | 0.14 | 62% | 0.617 | C | S | . | * | H | α-helix | trans | -95.6 | -7.1 | -169 | 57.2 | 0 | 0 | 0 | 0 | 115.1 | W54 V57 E59 R65 | W54-S61 VanDerWaalsContact CZ3-CB 3.4Å; V57-S61 PolarHBondContact O-OG 2.93Å; E59-S61 VanDerWaalsContact C-N 3.34Å; E59-S61 PolarHBondContact O-N 3.1Å; S61-R65 WeakPolarHBondContact O-CB 3.33Å; S61-R65 PolarHBondContact O-N 3.22Å; S61-R65 VanDerWaalsContact O-N 3.1Å |
| 62 | T | 53.6 | Low | 54.7 | Low | 96 Ų | 96 | 114 Ų | 114 | 59% | 0.589 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -73 | -40.2 | 175.7 | 54.1 | 0 | 0 | 0 | 0 | 111.3 | E59 R65 G66 | E59-T62 PolarHBondContact O-OG1 2.86Å; T62-R65 PolarHBondContact O-N 3.36Å; T62-G66 PolarHBondContact O-N 3.45Å |
| 63 | C | 54.8 | Low | 55.6 | Low | 99 Ų | 99 | 110.9 Ų | 110.9 | 67% | 0.669 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -63.2 | -47.8 | 176.8 | -70.8 | 0 | 0 | 0 | 0 | 112.1 | G66 L67 | C63-G66 PolarHBondContact O-N 3.47Å; C63-L67 WeakPolarHBondContact O-CB 3.09Å; C63-L67 PolarHBondContact O-N 2.89Å |
| 64 | L | 54.9 | Low | 56.2 | Low | 120 Ų | 120 | 111.4 Ų | 111.4 | 63% | 0.628 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -69.8 | -36.6 | 179.5 | -68.4 | 174.9 | 0 | 0 | 0 | 112.3 | G66 L67 W68 | L64-G66 VanDerWaalsContact C-N 3.35Å; L64-L67 PolarHBondContact O-N 2.82Å; L64-W68 WeakPolarHBondContact O-CB 3.39Å; L64-W68 PolarHBondContact O-N 2.89Å |
| 65 | R | 57.4 | Low | 56.5 | Low | 128 Ų | 128 | 107.3 Ų | 107.3 | 48% | 0.483 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -67.9 | -35.3 | 174.8 | -162.6 | -174.7 | -57.2 | -101.4 | 4.3 | 111.8 | S61 T62 K69 | S61-R65 WeakPolarHBondContact O-CB 3.33Å; S61-R65 PolarHBondContact O-N 3.22Å; S61-R65 VanDerWaalsContact O-N 3.1Å; T62-R65 PolarHBondContact O-N 3.36Å; R65-K69 WeakPolarHBondContact O-CB 3.12Å; R65-K69 PolarHBondContact O-N 2.9Å; R65-K69 VanDerWaalsContact O-N 3.1Å |
| 66 | G | 60 | Low | 57.2 | Low | 32 Ų | 32 | 101 Ų | 101 | 33% | 0.33 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -67.9 | -42.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | T62 C63 L64 K69 T70 | T62-G66 PolarHBondContact O-N 3.45Å; C63-G66 PolarHBondContact O-N 3.47Å; L64-G66 VanDerWaalsContact C-N 3.35Å; G66-K69 PolarHBondContact O-N 3.43Å; G66-T70 WeakPolarHBondContact O-CB 3.27Å; G66-T70 PolarHBondContact O-N 2.85Å; G66-T70 PolarHBondContact O-OG1 3.1Å |
| 67 | L | 62 | Low | 57.8 | Low | 94 Ų | 94 | 102.5 Ų | 102.5 | 49% | 0.492 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64.4 | -46.7 | 177.1 | -170.6 | 65.1 | 0 | 0 | 0 | 111.2 | C63 L64 K69 T70 E71 | C63-L67 WeakPolarHBondContact O-CB 3.09Å; C63-L67 PolarHBondContact O-N 2.89Å; L64-L67 PolarHBondContact O-N 2.82Å; L67-K69 PolarHBondContact O-N 3.38Å; L67-T70 PolarHBondContact O-N 3.48Å; L67-T70 VanDerWaalsContact O-N 3.16Å; L67-E71 WeakPolarHBondContact O-CB 3.12Å; L67-E71 PolarHBondContact O-N 2.83Å |
| 68 | W | 59.6 | Low | 58.6 | Low | 182 Ų | 182 | 104.1 Ų | 104.1 | 69% | 0.689 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -61.4 | -42 | 176.5 | -176.4 | -99.4 | 0 | 0 | 0 | 113.1 | L64 T70 E71 S72 | L64-W68 WeakPolarHBondContact O-CB 3.39Å; L64-W68 PolarHBondContact O-N 2.89Å; W68-T70 VanDerWaalsContact C-N 3.34Å; W68-T70 PolarHBondContact O-N 2.94Å; W68-E71 PolarHBondContact O-N 2.84Å; W68-S72 VanDerWaalsContact O-CB 3.23Å; W68-S72 WeakPolarHBondContact O-CB 3.15Å; W68-S72 PolarHBondContact O-N 3.46Å; W68-S72 PolarHBondContact O-OG 3.45Å; W68-S72 VanDerWaalsContact O-OG 3.1Å |
| 69 | K | 61.4 | Low | 59 | Low | 158 Ų | 158 | 107.6 Ų | 107.6 | 69% | 0.687 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -61.9 | -41.7 | 173.9 | -87.4 | -172.4 | 174.8 | -176 | 0 | 111.8 | R65 G66 L67 G73 | R65-K69 WeakPolarHBondContact O-CB 3.12Å; R65-K69 PolarHBondContact O-N 2.9Å; R65-K69 VanDerWaalsContact O-N 3.1Å; G66-K69 PolarHBondContact O-N 3.43Å; L67-K69 PolarHBondContact O-N 3.38Å; K69-G73 PolarHBondContact O-N 2.81Å |
| 70 | T | 67 | Low | 59.1 | Low | 70 Ų | 70 | 104.2 Ų | 104.2 | 43% | 0.429 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -69.7 | -40.8 | -179.7 | -52 | 0 | 0 | 0 | 0 | 111.6 | G66 L67 W68 G73 R74 | G66-T70 WeakPolarHBondContact O-CB 3.27Å; G66-T70 PolarHBondContact O-N 2.85Å; G66-T70 PolarHBondContact O-OG1 3.1Å; L67-T70 PolarHBondContact O-N 3.48Å; L67-T70 VanDerWaalsContact O-N 3.16Å; W68-T70 VanDerWaalsContact C-N 3.34Å; W68-T70 PolarHBondContact O-N 2.94Å; T70-G73 PolarHBondContact O-N 2.9Å; T70-R74 VanDerWaalsContact CG2-NH2 3.27Å; T70-R74 WeakPolarHBondContact O-CG 3.42Å; T70-R74 PolarHBondContact O-N 3.5Å |
| 71 | E | 63.9 | Low | 59.3 | Low | 116 Ų | 116 | 106.1 Ų | 106.1 | 54% | 0.542 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -71.2 | -41.5 | 179.7 | -153.7 | 173.3 | 124.1 | 0 | 0 | 111.9 | L67 W68 G73 R74 L75 | L67-E71 WeakPolarHBondContact O-CB 3.12Å; L67-E71 PolarHBondContact O-N 2.83Å; W68-E71 PolarHBondContact O-N 2.84Å; E71-G73 PolarHBondContact O-N 3.3Å; E71-R74 PolarHBondContact O-N 2.92Å; E71-L75 PolarHBondContact O-N 2.87Å |
| 72 | S | 59.8 | Low | 59.5 | Low | 50 Ų | 50 | 108.8 Ų | 108.8 | 35% | 0.35 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -63.4 | -39.1 | 172.1 | -71.2 | 0 | 0 | 0 | 0 | 112.5 | W68 L75 C76 | W68-S72 VanDerWaalsContact O-CB 3.23Å; W68-S72 WeakPolarHBondContact O-CB 3.15Å; W68-S72 PolarHBondContact O-N 3.46Å; W68-S72 PolarHBondContact O-OG 3.45Å; W68-S72 VanDerWaalsContact O-OG 3.1Å; S72-L75 PolarHBondContact O-N 3.46Å; S72-C76 WeakPolarHBondContact O-CB 3.23Å; S72-C76 PolarHBondContact O-N 2.88Å |
| 73 | G | 66.3 | Low | 59.5 | Low | 36 Ų | 36 | 113.2 Ų | 113.2 | 37% | 0.371 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -63.1 | -41.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | K69 T70 E71 C76 Q77 | K69-G73 PolarHBondContact O-N 2.81Å; T70-G73 PolarHBondContact O-N 2.9Å; E71-G73 PolarHBondContact O-N 3.3Å; G73-C76 PolarHBondContact O-N 3.39Å; G73-Q77 WeakPolarHBondContact O-CG 3.2Å; G73-Q77 PolarHBondContact O-N 2.8Å |
| 74 | R | 62.1 | Low | 59.6 | Low | 168 Ų | 168 | 118.6 Ų | 118.6 | 63% | 0.634 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -65.4 | -40.9 | 175 | -77.7 | -171 | -102.8 | -128.6 | 6 | 112.5 | T70 E71 Q77 Q78 | T70-R74 VanDerWaalsContact CG2-NH2 3.27Å; T70-R74 WeakPolarHBondContact O-CG 3.42Å; T70-R74 PolarHBondContact O-N 3.5Å; E71-R74 PolarHBondContact O-N 2.92Å; R74-Q77 PolarHBondContact O-N 3.48Å; R74-Q78 WeakPolarHBondContact O-CB 3.29Å; R74-Q78 PolarHBondContact O-N 3.32Å |
| 75 | L | 58.7 | Low | 59.3 | Low | 92 Ų | 92 | 126.8 Ų | 126.8 | 48% | 0.482 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -67.1 | -38.5 | 176.8 | -164.3 | 75.3 | 0 | 0 | 0 | 112 | E71 S72 Q78 K79 | E71-L75 PolarHBondContact O-N 2.87Å; S72-L75 PolarHBondContact O-N 3.46Å; L75-Q78 PolarHBondContact O-N 3.22Å; L75-K79 WeakPolarHBondContact O-CG 3.25Å; L75-K79 PolarHBondContact O-N 3.28Å |
| 76 | C | 59.2 | Low | 59.4 | Low | 80 Ų | 80 | 126.7 Ų | 126.7 | 54% | 0.541 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -65.7 | -43.6 | 176.5 | -165.9 | 0 | 0 | 0 | 0 | 111.6 | S72 G73 K79 M80 | S72-C76 WeakPolarHBondContact O-CB 3.23Å; S72-C76 PolarHBondContact O-N 2.88Å; G73-C76 PolarHBondContact O-N 3.39Å; C76-K79 PolarHBondContact O-N 2.7Å; C76-M80 WeakPolarHBondContact O-CG 3.2Å; C76-M80 PolarHBondContact O-N 2.83Å |
| 77 | Q | 60.4 | Low | 59.3 | Low | 105 Ų | 105 | 131.7 Ų | 131.7 | 49% | 0.491 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -61 | -48 | 172.5 | -72.1 | -74.6 | 19.2 | 0 | 0 | 111 | G73 R74 K79 M80 W81 | G73-Q77 WeakPolarHBondContact O-CG 3.2Å; G73-Q77 PolarHBondContact O-N 2.8Å; R74-Q77 PolarHBondContact O-N 3.48Å; Q77-K79 VanDerWaalsContact C-N 3.27Å; Q77-K79 PolarHBondContact O-N 3.42Å; Q77-M80 WeakPolarHBondContact O-CB 3.25Å; Q77-M80 PolarHBondContact O-N 2.69Å; Q77-W81 PolarHBondContact O-N 3.16Å |
| 78 | Q | 61.3 | Low | 59.2 | Low | 136 Ų | 136 | 133.8 Ų | 133.8 | 64% | 0.636 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -57.8 | -39.3 | 179.5 | -165.1 | 179.8 | 85.6 | 0 | 0 | 112.4 | R74 L75 W81 A82 | R74-Q78 WeakPolarHBondContact O-CB 3.29Å; R74-Q78 PolarHBondContact O-N 3.32Å; L75-Q78 PolarHBondContact O-N 3.22Å; Q78-W81 PolarHBondContact O-N 3.38Å; Q78-A82 WeakPolarHBondContact O-CB 3.47Å; Q78-A82 PolarHBondContact O-N 2.8Å |
| 79 | K | 60.1 | Low | 59.2 | Low | 145 Ų | 145 | 130.9 Ų | 130.9 | 63% | 0.63 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -69.6 | -35.9 | 174.4 | -74.5 | -174.9 | 178.2 | -175.6 | 0 | 113.3 | L75 C76 Q77 A82 K83 | L75-K79 WeakPolarHBondContact O-CG 3.25Å; L75-K79 PolarHBondContact O-N 3.28Å; C76-K79 PolarHBondContact O-N 2.7Å; Q77-K79 VanDerWaalsContact C-N 3.27Å; Q77-K79 PolarHBondContact O-N 3.42Å; K79-A82 PolarHBondContact O-N 3.36Å; K79-K83 WeakPolarHBondContact O-CB 3.04Å; K79-K83 PolarHBondContact O-N 2.73Å; K79-K83 VanDerWaalsContact O-N 3.16Å |
| 80 | M | 55.1 | Low | 59 | Low | 106 Ų | 106 | 129.3 Ų | 129.3 | 52% | 0.522 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -65.6 | -40.7 | 173.6 | -75.6 | -116.4 | -69.8 | 0 | 0 | 112.2 | C76 Q77 K83 | C76-M80 WeakPolarHBondContact O-CG 3.2Å; C76-M80 PolarHBondContact O-N 2.83Å; Q77-M80 WeakPolarHBondContact O-CB 3.25Å; Q77-M80 PolarHBondContact O-N 2.69Å; M80-K83 PolarHBondContact O-N 3.13Å |
| 81 | W | 54.6 | Low | 58.5 | Low | 196 Ų | 196 | 133.2 Ų | 133.2 | 74% | 0.742 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -68.6 | -36.4 | 175.7 | -78.4 | 95.7 | 0 | 0 | 0 | 112.5 | Q77 Q78 K83 | Q77-W81 PolarHBondContact O-N 3.16Å; Q78-W81 PolarHBondContact O-N 3.38Å; W81-K83 VanDerWaalsContact C-N 3.3Å; W81-K83 PolarHBondContact O-N 3.08Å |
| 82 | A | 56.5 | Low | 58.1 | Low | 75 Ų | 75 | 134.4 Ų | 134.4 | 62% | 0.62 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -70.3 | -23.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q78 K79 | Q78-A82 WeakPolarHBondContact O-CB 3.47Å; Q78-A82 PolarHBondContact O-N 2.8Å; K79-A82 PolarHBondContact O-N 3.36Å |
| 83 | K | 55.3 | Low | 58 | Low | 189 Ų | 189 | 140.9 Ų | 140.9 | 82% | 0.822 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.3 | -5.3 | -179.4 | -164.2 | 161.9 | -175.1 | 177.7 | 0 | 113.9 | K79 M80 W81 | K79-K83 WeakPolarHBondContact O-CB 3.04Å; K79-K83 PolarHBondContact O-N 2.73Å; K79-K83 VanDerWaalsContact O-N 3.16Å; M80-K83 PolarHBondContact O-N 3.13Å; W81-K83 VanDerWaalsContact C-N 3.3Å; W81-K83 PolarHBondContact O-N 3.08Å |
| 84 | R | 55.8 | Low | 57.3 | Low | 212 Ų | 212 | 149.7 Ų | 149.7 | 80% | 0.8 | 67% | 0.668 | S | S | * | * | trans | -107.7 | 11.3 | -178.8 | -153.6 | -173.8 | -77.5 | -174.8 | -5 | 113.3 | ||||
| 85 | R | 48.4 | Very low | 56.8 | Low | 292 Ų | 292 | 148 Ų | 148 | 100% | 1.102 | 67% | 0.672 | S | S | * | * | trans | -117.5 | 0 | 172.8 | -164.4 | -172.9 | -104.7 | 165.2 | -5.9 | 108.4 |
Retrieved 85 of 85 residues in 28 ms
(Link to these results)