| 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 | 46.5 | Very low | 46.3 | Very low | 231 Ų | 231 | 149.6 Ų | 149.6 | 100% | 1.138 | 84% | 0.835 | S | S | * | * | 0 | 116.3 | 0 | -70.8 | 174.1 | 178.5 | 0 | 0 | 105.9 | |||||
| 2 | E | 43.1 | Very low | 46.8 | Very low | 184 Ų | 184 | 148.5 Ų | 148.5 | 86% | 0.86 | 84% | 0.835 | S | S | * | * | trans | 46.7 | 107.7 | 156 | -67.8 | 159.4 | 132.6 | 0 | 0 | 117.5 | ||||
| 3 | E | 40.8 | Very low | 46.9 | Very low | 182 Ų | 182 | 151.3 Ų | 151.3 | 85% | 0.85 | 84% | 0.838 | S | S | * | * | 54.2 | 118.2 | 64.5 | -68.6 | -160.6 | 169.6 | 0 | 0 | 115.9 | |||||
| 4 | T | 51.2 | Low | 46.8 | Very low | 131 Ų | 131 | 146.7 Ų | 146.7 | 80% | 0.804 | 83% | 0.829 | S | S | * | * | trans | 129 | 144.6 | 151.7 | 46.9 | 0 | 0 | 0 | 0 | 113 | ||||
| 5 | E | 49.7 | Very low | 46.9 | Very low | 163 Ų | 163 | 152.5 Ų | 152.5 | 76% | 0.762 | 83% | 0.832 | S | S | * | * | cis | -165.1 | 139.2 | -24.6 | -123.1 | -173 | 130.2 | 0 | 0 | 106.2 | ||||
| 6 | N | 44 | Very low | 46.8 | Very low | 132 Ų | 132 | 152 Ų | 152 | 71% | 0.706 | 83% | 0.829 | S | S | * | * | trans | 26.4 | 123.7 | 145 | -66.2 | -31.6 | 0 | 0 | 0 | 121.4 | ||||
| 7 | N | 48 | Very low | 46.6 | Very low | 172 Ų | 172 | 150.8 Ų | 150.8 | 92% | 0.92 | 83% | 0.834 | S | S | * | * | -157.5 | 128.6 | 124.8 | -98.8 | -44.9 | 0 | 0 | 0 | 112.2 | |||||
| 8 | S | 39.8 | Very low | 46.6 | Very low | 118 Ų | 118 | 147.3 Ų | 147.3 | 83% | 0.825 | 82% | 0.822 | S | S | * | * | trans | -86.2 | 138.1 | -176.1 | 63.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 9 | A | 46.9 | Very low | 46.6 | Very low | 92 Ų | 92 | 144.1 Ų | 144.1 | 76% | 0.76 | 83% | 0.825 | S | S | * | * | trans | -156.7 | 129.5 | 146.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 10 | P | 51.6 | Low | 47 | Very low | 124 Ų | 124 | 143.4 Ų | 143.4 | 81% | 0.805 | 82% | 0.817 | S | S | * | * | trans | -86.5 | 146.1 | -174.3 | 33.5 | -31.7 | 0 | 0 | 0 | 112.1 | ||||
| 11 | P | 48.4 | Very low | 47.4 | Very low | 117 Ų | 117 | 143 Ų | 143 | 76% | 0.76 | 81% | 0.812 | S | S | * | * | trans | -83.3 | 125.2 | 179.5 | 32 | -30.9 | 0 | 0 | 0 | 112.5 | ||||
| 12 | T | 51.5 | Low | 47.9 | Very low | 136 Ų | 136 | 143 Ų | 143 | 83% | 0.834 | 80% | 0.8 | S | S | * | * | trans | 46.1 | 115.8 | 137.3 | 27.5 | 0 | 0 | 0 | 0 | 121 | A14 | T12-A14 PolarHBondContact O-N 2.99Š| ||
| 13 | Q | 48 | Very low | 48.7 | Very low | 185 Ų | 185 | 137.5 Ų | 137.5 | 86% | 0.864 | 78% | 0.779 | S | S | * | * | trans | -65.4 | 107.7 | 167.9 | -63.5 | 175.5 | -0.5 | 0 | 0 | 111.7 | R15 | Q13-R15 PolarHBondContact O-N 3.11Š| ||
| 14 | A | 46.2 | Very low | 49.6 | Very low | 87 Ų | 87 | 136.8 Ų | 136.8 | 72% | 0.719 | 77% | 0.773 | S | S | * | * | trans | -78.3 | 108.3 | 162.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | T12 D16 | T12-A14 PolarHBondContact O-N 2.99Å; A14-D16 PolarHBondContact O-N 2.65Å | ||
| 15 | R | 48.5 | Very low | 50.2 | Low | 233 Ų | 233 | 135.4 Ų | 135.4 | 88% | 0.879 | 76% | 0.76 | S | S | * | * | trans | -81.6 | 90.6 | 168.6 | -87.6 | -166.9 | 172.1 | 177.9 | -0.7 | 109.3 | Q13 S17 | Q13-R15 PolarHBondContact O-N 3.11Å; R15-S17 PolarHBondContact O-N 3.49Å | ||
| 16 | D | 44.7 | Very low | 50.8 | Low | 145 Ų | 145 | 129.6 Ų | 129.6 | 78% | 0.775 | 74% | 0.737 | S | S | * | * | trans | -83.9 | 100.2 | 165.4 | -73.6 | -32.2 | 0 | 0 | 0 | 110.1 | A14 S18 | A14-D16 PolarHBondContact O-N 2.65Å; D16-S18 VanDerWaalsContact C-N 3.28Å; D16-S18 PolarHBondContact O-N 3.36Å | ||
| 17 | S | 43.1 | Very low | 51.5 | Low | 132 Ų | 132 | 131 Ų | 131 | 92% | 0.923 | 74% | 0.744 | S | S | * | * | trans | -72.6 | 82.7 | 166.2 | -165.1 | 0 | 0 | 0 | 0 | 108.9 | R15 | R15-S17 PolarHBondContact O-N 3.49Š| ||
| 18 | S | 46.8 | Very low | 52.2 | Low | 87 Ų | 87 | 125.2 Ų | 125.2 | 61% | 0.608 | 72% | 0.724 | S | S | * | * | trans | -121.4 | 111.1 | 161 | 58.8 | 0 | 0 | 0 | 0 | 108.4 | D16 I20 | D16-S18 VanDerWaalsContact C-N 3.28Å; D16-S18 PolarHBondContact O-N 3.36Å; S18-I20 PolarHBondContact O-N 3.39Å | ||
| 19 | G | 47 | Very low | 53.4 | Low | 86 Ų | 86 | 132.1 Ų | 132.1 | 89% | 0.887 | 73% | 0.732 | S | S | * | * | trans | -69.6 | 63.7 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | L21 | G19-L21 PolarHBondContact O-N 2.95Š| ||
| 20 | I | 53.8 | Low | 54 | Low | 130 Ų | 130 | 136.5 Ų | 136.5 | 67% | 0.667 | 73% | 0.734 | S | S | * | * | trans | -91.3 | 97.7 | 167 | -77.4 | 158.8 | 0 | 0 | 0 | 107.5 | S18 R22 | S18-I20 PolarHBondContact O-N 3.39Å; I20-R22 HydrophobicContact CG2-CG 4.06Å; I20-R22 PolarHBondContact O-N 2.91Å | ||
| 21 | L | 56.9 | Low | 54.4 | Low | 136 Ų | 136 | 135.2 Ų | 135.2 | 71% | 0.712 | 73% | 0.725 | S | S | * | * | trans | -58.9 | 102.5 | 163.6 | -117.8 | 91.3 | 0 | 0 | 0 | 107.1 | G19 T23 | G19-L21 PolarHBondContact O-N 2.95Å; L21-T23 PolarHBondContact O-N 3.18Å; L21-T23 PolarHBondContact O-OG1 3.31Å | ||
| 22 | R | 55.9 | Low | 54.9 | Low | 232 Ų | 232 | 132.7 Ų | 132.7 | 88% | 0.875 | 71% | 0.711 | S | S | * | * | trans | -73.8 | 70.7 | 173.7 | -71.7 | -173.9 | 169.9 | -178.6 | -2.2 | 109.8 | I20 K24 | I20-R22 HydrophobicContact CG2-CG 4.06Å; I20-R22 PolarHBondContact O-N 2.91Å; R22-K24 PolarHBondContact O-N 3.05Å; R22-K24 VanDerWaalsContact O-N 3.16Å | ||
| 23 | T | 59.9 | Low | 55.2 | Low | 68 Ų | 68 | 130.7 Ų | 130.7 | 42% | 0.417 | 69% | 0.694 | S | S | . | * | trans | -72.4 | 98.7 | 161.3 | 12.4 | 0 | 0 | 0 | 0 | 107.7 | L21 I25 | L21-T23 PolarHBondContact O-N 3.18Å; L21-T23 PolarHBondContact O-OG1 3.31Å; T23-I25 PolarHBondContact O-N 3.04Å | ||
| 24 | K | 60.1 | Low | 56 | Low | 166 Ų | 166 | 126.9 Ų | 126.9 | 72% | 0.722 | 68% | 0.678 | S | S | * | * | trans | -68.1 | 102.1 | 168.6 | -96.3 | -171.6 | 173.8 | -177.9 | 0 | 108.4 | R22 I34 | R22-K24 PolarHBondContact O-N 3.05Å; R22-K24 VanDerWaalsContact O-N 3.16Å; K24-I34 HydrophobicContact CB-CD1 4.29Å | ||
| 25 | I | 62.6 | Low | 56.8 | Low | 103 Ų | 103 | 128 Ų | 128 | 53% | 0.528 | 67% | 0.67 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -91 | 111.7 | 169.8 | -53.7 | 169.7 | 0 | 0 | 0 | 106.7 | T23 L27 | T23-I25 PolarHBondContact O-N 3.04Å; I25-L27 HydrophobicContact CG2-CG 4.37Å; I25-L27 PolarHBondContact O-N 3.07Å |
| 26 | S | 63.1 | Low | 57.7 | Low | 40 Ų | 40 | 120.3 Ų | 120.3 | 28% | 0.28 | 65% | 0.65 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -80.5 | 99.5 | 174.9 | -26.6 | 0 | 0 | 0 | 0 | 107.9 | G28 P31 S32 I34 | S26-G28 PolarHBondContact O-N 3.41Å; S26-P31 VanDerWaalsContact O-CA 3.32Å; S26-P31 WeakPolarHBondContact O-CA 3.12Å; S26-S32 PolarHBondContact N-O 3.41Å; S26-S32 PolarHBondContact O-N 3.32Å; S26-S32 PolarHBondContact OG-O 3.44Å; S26-I34 WeakPolarHBondContact OG-CD1 3.39Å; S26-I34 WeakPolarHBondContact OG-CG1 3.46Å |
| 27 | L | 58.1 | Low | 59 | Low | 163 Ų | 163 | 118.4 Ų | 118.4 | 85% | 0.853 | 64% | 0.635 | S | S | * | * | trans | -78.1 | 71.6 | 173 | -72.9 | 153.3 | 0 | 0 | 0 | 109.5 | I25 | I25-L27 HydrophobicContact CG2-CG 4.37Å; I25-L27 PolarHBondContact O-N 3.07Å | ||
| 28 | G | 64.2 | Low | 60.3 | Low | 49 Ų | 49 | 121.3 Ų | 121.3 | 51% | 0.505 | 63% | 0.628 | S | S | . | * | S | Bend | trans | -101 | -176.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112 | S26 K30 | S26-G28 PolarHBondContact O-N 3.41Å; G28-K30 CarbonylContact O-C 3.58Å; G28-K30 PolarHBondContact O-N 3.18Å |
| 29 | R | 64.1 | Low | 61.5 | Low | 263 Ų | 263 | 125.3 Ų | 125.3 | 99% | 0.992 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -55.7 | -20.5 | 172.4 | -71.7 | -175.1 | -174.2 | 166.5 | 2 | 113.5 | ||
| 30 | K | 59.7 | Low | 62.8 | Low | 184 Ų | 184 | 125.5 Ų | 125.5 | 80% | 0.8 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -127 | 107.9 | 164.7 | -72.1 | 179.1 | 178.8 | 174.5 | 0 | 107.1 | G28 S32 | G28-K30 CarbonylContact O-C 3.58Å; G28-K30 PolarHBondContact O-N 3.18Å; K30-S32 PolarHBondContact O-N 3.03Å; K30-S32 VanDerWaalsContact O-N 3.09Å |
| 31 | P | 60.6 | Low | 63.8 | Low | 97 Ų | 97 | 128 Ų | 128 | 63% | 0.63 | 63% | 0.626 | S | S | * | * | trans | -63.5 | 115 | 176.2 | 25.1 | -31.5 | 0 | 0 | 0 | 108.8 | S26 | S26-P31 VanDerWaalsContact O-CA 3.32Å; S26-P31 WeakPolarHBondContact O-CA 3.12Å | ||
| 32 | S | 57.2 | Low | 64.6 | Low | 65 Ų | 65 | 128.4 Ų | 128.4 | 46% | 0.455 | 63% | 0.629 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -110.3 | 119.3 | 170.9 | 65.1 | 0 | 0 | 0 | 0 | 109 | S26 K30 I34 | S26-S32 PolarHBondContact N-O 3.41Å; S26-S32 PolarHBondContact O-N 3.32Å; S26-S32 PolarHBondContact OG-O 3.44Å; K30-S32 PolarHBondContact O-N 3.03Å; K30-S32 VanDerWaalsContact O-N 3.09Å; S32-I34 PolarHBondContact O-N 3.49Å |
| 33 | I | 59 | Low | 65.5 | Low | 93 Ų | 93 | 126.5 Ų | 126.5 | 48% | 0.477 | 63% | 0.63 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -77.1 | 108.6 | 167.2 | -65 | 170.5 | 0 | 0 | 0 | 105.4 | M35 | I33-M35 WeakPolarHBondContact CG2-O 3.41Å; I33-M35 PolarHBondContact O-N 3.18Å |
| 34 | I | 65.2 | Low | 66.4 | Low | 105 Ų | 105 | 130.6 Ų | 130.6 | 54% | 0.538 | 65% | 0.649 | S | S | . | * | S | Bend | trans | -66.8 | -20 | -173.5 | -68.1 | 165.2 | 0 | 0 | 0 | 111.8 | K24 S26 S32 | K24-I34 HydrophobicContact CB-CD1 4.29Å; S26-I34 WeakPolarHBondContact OG-CD1 3.39Å; S26-I34 WeakPolarHBondContact OG-CG1 3.46Å; S32-I34 PolarHBondContact O-N 3.49Å |
| 35 | M | 61.6 | Low | 67.3 | Low | 111 Ų | 111 | 127.6 Ų | 127.6 | 55% | 0.547 | 65% | 0.646 | S | S | . | * | S | Bend | trans | -142.3 | 117.1 | 176.7 | -81.4 | -70.7 | -70.4 | 0 | 0 | 109.7 | I33 F37 | I33-M35 WeakPolarHBondContact CG2-O 3.41Å; I33-M35 PolarHBondContact O-N 3.18Å; M35-F37 PolarHBondContact O-N 3.21Å |
| 36 | P | 68.6 | Low | 68.2 | Low | 72 Ų | 72 | 128.3 Ų | 128.3 | 47% | 0.468 | 66% | 0.66 | S | S | . | * | P | Polyproline II helix | trans | -57.7 | 141 | 174.9 | 24.2 | -31.1 | 0 | 0 | 0 | 109 | Y38 M40 | P36-Y38 PolarHBondContact O-N 3.46Å; P36-M40 HydrophobicContact CB-CE 4.41Å |
| 37 | F | 70.6 | Confident | 69.3 | Low | 104 Ų | 104 | 131.8 Ų | 131.8 | 46% | 0.456 | 68% | 0.675 | S | S | . | * | P | Polyproline II helix | trans | -60.1 | 138.7 | 178.9 | 56.4 | -100 | 0 | 0 | 0 | 109.8 | M35 L39 M40 | M35-F37 PolarHBondContact O-N 3.21Å; F37-L39 PolarHBondContact O-N 3.38Å; F37-M40 HydrophobicContact CD1-CB 3.76Å; F37-M40 HydrophobicContact CD1-CE 4.06Å; F37-M40 HydrophobicContact CD1-CG 4.09Å; F37-M40 HydrophobicContact CD1-SD 3.72Å; F37-M40 HydrophobicContact CD2-CB 3.46Å; F37-M40 VanDerWaalsContact CD2-CB 3.46Å; F37-M40 HydrophobicContact CD2-CG 4.22Å; F37-M40 HydrophobicContact CE1-CB 3.57Å; F37-M40 HydrophobicContact CE1-CE 3.83Å; F37-M40 HydrophobicContact CE1-CG 3.39Å; F37-M40 HydrophobicContact CE1-SD 2.9Å; F37-M40 WeakPolarHBondContact CE1-SD 3.32Å; F37-M40 HydrophobicContact CE2-CB 3.18Å; F37-M40 HydrophobicContact CE2-CG 3.48Å; F37-M40 VanDerWaalsContact CE2-CG 3.48Å; F37-M40 HydrophobicContact CE2-SD 4.19Å; F37-M40 HydrophobicContact CG-CB 3.74Å; F37-M40 HydrophobicContact CG-CG 4.49Å; F37-M40 HydrophobicContact CZ-CB 3.26Å; F37-M40 HydrophobicContact CZ-CE 4.46Å; F37-M40 HydrophobicContact CZ-CG 3.01Å; F37-M40 HydrophobicContact CZ-SD 3.19Å; F37-M40 WeakPolarHBondContact CZ-SD 3.42Å; F37-M40 PolarHBondContact O-N 2.65Å |
| 38 | Y | 70.5 | Confident | 70.5 | Confident | 194 Ų | 194 | 128.6 Ų | 128.6 | 76% | 0.761 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55 | 118.7 | 170.4 | -67.8 | -87 | 0 | 0 | 0 | 107 | P36 | P36-Y38 PolarHBondContact O-N 3.46Š|
| 39 | L | 73.5 | Confident | 71.7 | Confident | 171 Ų | 171 | 129.2 Ų | 129.2 | 90% | 0.895 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 100.7 | -12.7 | -170.7 | -55 | 171.8 | 0 | 0 | 0 | 117.1 | F37 K41 | F37-L39 PolarHBondContact O-N 3.38Å; L39-K41 PolarHBondContact O-N 2.69Å; L39-K41 VanDerWaalsContact O-N 3.09Å |
| 40 | M | 73.6 | Confident | 72.9 | Confident | 90 Ų | 90 | 120.1 Ų | 120.1 | 44% | 0.443 | 63% | 0.63 | S | S | . | * | trans | -77.5 | 100.7 | 165.4 | -138.9 | 169 | 45.9 | 0 | 0 | 107.5 | P36 F37 | P36-M40 HydrophobicContact CB-CE 4.41Å; F37-M40 HydrophobicContact CD1-CB 3.76Å; F37-M40 HydrophobicContact CD1-CE 4.06Å; F37-M40 HydrophobicContact CD1-CG 4.09Å; F37-M40 HydrophobicContact CD1-SD 3.72Å; F37-M40 HydrophobicContact CD2-CB 3.46Å; F37-M40 VanDerWaalsContact CD2-CB 3.46Å; F37-M40 HydrophobicContact CD2-CG 4.22Å; F37-M40 HydrophobicContact CE1-CB 3.57Å; F37-M40 HydrophobicContact CE1-CE 3.83Å; F37-M40 HydrophobicContact CE1-CG 3.39Å; F37-M40 HydrophobicContact CE1-SD 2.9Å; F37-M40 WeakPolarHBondContact CE1-SD 3.32Å; F37-M40 HydrophobicContact CE2-CB 3.18Å; F37-M40 HydrophobicContact CE2-CG 3.48Å; F37-M40 VanDerWaalsContact CE2-CG 3.48Å; F37-M40 HydrophobicContact CE2-SD 4.19Å; F37-M40 HydrophobicContact CG-CB 3.74Å; F37-M40 HydrophobicContact CG-CG 4.49Å; F37-M40 HydrophobicContact CZ-CB 3.26Å; F37-M40 HydrophobicContact CZ-CE 4.46Å; F37-M40 HydrophobicContact CZ-CG 3.01Å; F37-M40 HydrophobicContact CZ-SD 3.19Å; F37-M40 WeakPolarHBondContact CZ-SD 3.42Å; F37-M40 PolarHBondContact O-N 2.65Å | ||
| 41 | K | 73.9 | Confident | 74.3 | Confident | 183 Ų | 183 | 115.8 Ų | 115.8 | 80% | 0.796 | 64% | 0.637 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 144.1 | 164.7 | -65.7 | -179 | 179.5 | 179 | 0 | 107.8 | L39 | L39-K41 PolarHBondContact O-N 2.69Å; L39-K41 VanDerWaalsContact O-N 3.09Å |
| 42 | N | 73.5 | Confident | 75.8 | Confident | 144 Ų | 144 | 116.6 Ų | 116.6 | 77% | 0.77 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -50.4 | 146.3 | 167.4 | -66.5 | 24.9 | 0 | 0 | 0 | 109.1 | L44 | N42-L44 PolarHBondContact O-N 3.31Š|
| 43 | E | 76.8 | Confident | 77.4 | Confident | 192 Ų | 192 | 116.1 Ų | 116.1 | 90% | 0.897 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -49.8 | 132.9 | 180 | -62.9 | -151.8 | 177.6 | 0 | 0 | 110.8 | ||
| 44 | L | 77.2 | Confident | 79 | Confident | 154 Ų | 154 | 115.8 Ų | 115.8 | 81% | 0.806 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 141.8 | -178.4 | -71.4 | 163.6 | 0 | 0 | 0 | 109 | N42 S46 | N42-L44 PolarHBondContact O-N 3.31Å; L44-S46 PolarHBondContact O-N 3.02Å |
| 45 | P | 80.1 | Confident | 80.3 | Confident | 102 Ų | 102 | 114.8 Ų | 114.8 | 66% | 0.662 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 128.9 | 175.1 | 23.5 | -32.4 | 0 | 0 | 0 | 109.6 | N47 | P45-N47 PolarHBondContact O-N 3.35Š|
| 46 | S | 81.2 | Confident | 81.8 | Confident | 118 Ų | 118 | 112.1 Ų | 112.1 | 83% | 0.825 | 62% | 0.618 | S | S | * | * | trans | -65 | 104 | 176.2 | 175.6 | 0 | 0 | 0 | 0 | 109.2 | L44 | L44-S46 PolarHBondContact O-N 3.02Š| ||
| 47 | N | 85.1 | Confident | 82.9 | Confident | 113 Ų | 113 | 111.7 Ų | 111.7 | 60% | 0.604 | 62% | 0.617 | S | S | * | * | trans | -78.8 | 130.6 | 170.2 | -69 | -55.4 | 0 | 0 | 0 | 108.8 | P45 I49 | P45-N47 PolarHBondContact O-N 3.35Å; N47-I49 PolarHBondContact O-N 2.9Å | ||
| 48 | P | 85.1 | Confident | 83.9 | Confident | 97 Ų | 97 | 111.8 Ų | 111.8 | 63% | 0.63 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -63.8 | -24.5 | 177.7 | 26.5 | -33.8 | 0 | 0 | 0 | 111.7 | ||
| 49 | I | 89.5 | Confident | 85 | Confident | 62 Ų | 62 | 109 Ų | 109 | 32% | 0.318 | 60% | 0.604 | S | S | . | * | trans | -94.1 | 113.4 | 178.2 | -56.9 | 172.2 | 0 | 0 | 0 | 108.8 | N47 M53 L55 Y58 Y59 | N47-I49 PolarHBondContact O-N 2.9Å; I49-M53 HydrophobicContact CB-CE 4.12Å; I49-M53 HydrophobicContact CG1-CE 3.95Å; I49-M53 HydrophobicContact CG2-CE 4.06Å; I49-L55 HydrophobicContact CG2-CD2 3.49Å; I49-L55 VanDerWaalsContact CG2-CD2 3.49Å; I49-Y58 HydrophobicContact CD1-CD1 4.37Å; I49-Y58 HydrophobicContact CD1-CE1 3.73Å; I49-Y58 HydrophobicContact CG1-CD1 4.32Å; I49-Y58 HydrophobicContact CG1-CE1 3.71Å; I49-Y59 WeakPolarHBondContact CD1-OH 3.5Å | ||
| 50 | T | 88.2 | Confident | 85.9 | Confident | 72 Ų | 72 | 103.6 Ų | 103.6 | 44% | 0.442 | 59% | 0.59 | S | S | . | * | trans | -107.7 | 153.3 | 173.8 | 49.6 | 0 | 0 | 0 | 0 | 110 | S52 M53 | T50-S52 PolarHBondContact O-N 3.36Å; T50-S52 VanDerWaalsContact O-N 3.1Å; T50-S52 PolarHBondContact OG1-OG 3.07Å; T50-M53 WeakPolarHBondContact O-CB 3.31Å; T50-M53 PolarHBondContact O-N 3.32Å; T50-M53 VanDerWaalsContact O-N 3.07Å | ||
| 51 | G | 89 | Confident | 86.9 | Confident | 93 Ų | 93 | 103.7 Ų | 103.7 | 96% | 0.959 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.1 | -15 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 52 | S | 91.5 | Very high | 87.8 | Confident | 113 Ų | 113 | 97.7 Ų | 97.7 | 79% | 0.79 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.3 | -10 | 175.9 | 49.8 | 0 | 0 | 0 | 0 | 114.1 | T50 | T50-S52 PolarHBondContact O-N 3.36Å; T50-S52 VanDerWaalsContact O-N 3.1Å; T50-S52 PolarHBondContact OG1-OG 3.07Å |
| 53 | M | 92 | Very high | 88.5 | Confident | 56 Ų | 56 | 97.8 Ų | 97.8 | 28% | 0.276 | 56% | 0.564 | S | S | . | * | S | Bend | trans | -86.9 | 137.2 | -176.8 | -169.4 | 165 | 63 | 0 | 0 | 111.2 | I49 T50 L55 Y58 | I49-M53 HydrophobicContact CB-CE 4.12Å; I49-M53 HydrophobicContact CG1-CE 3.95Å; I49-M53 HydrophobicContact CG2-CE 4.06Å; T50-M53 WeakPolarHBondContact O-CB 3.31Å; T50-M53 PolarHBondContact O-N 3.32Å; T50-M53 VanDerWaalsContact O-N 3.07Å; M53-L55 PolarHBondContact O-N 3.18Å; M53-Y58 HydrophobicContact CE-CD1 3.96Å; M53-Y58 HydrophobicContact CE-CD2 3.15Å; M53-Y58 HydrophobicContact CE-CE1 4.3Å; M53-Y58 HydrophobicContact CE-CE2 3.55Å; M53-Y58 HydrophobicContact CE-CG 3.37Å; M53-Y58 HydrophobicContact SD-CD2 3.42Å; M53-Y58 WeakPolarHBondContact SD-CD2 3.36Å; M53-Y58 HydrophobicContact SD-CE2 4.05Å; M53-Y58 HydrophobicContact SD-CG 4.01Å |
| 54 | N | 92.4 | Very high | 89.1 | Confident | 85 Ų | 85 | 90.5 Ų | 90.5 | 46% | 0.455 | 54% | 0.536 | S | S | . | . | trans | -68.9 | 106 | 170.4 | -176.8 | -1.5 | 0 | 0 | 0 | 109.7 | L56 S57 Y58 | N54-L56 VanDerWaalsContact C-N 3.28Å; N54-L56 PolarHBondContact O-N 2.96Å; N54-L56 WeakPolarHBondContact OD1-CB 3.4Å; N54-L56 PolarHBondContact OD1-N 2.74Å; N54-S57 PolarHBondContact ND2-OG 3.37Å; N54-S57 PolarHBondContact O-N 2.98Å; N54-Y58 WeakPolarHBondContact O-CB 3.46Å; N54-Y58 PolarHBondContact O-N 3.08Å | ||
| 55 | L | 93.2 | Very high | 89.6 | Confident | 84 Ų | 84 | 89.6 Ų | 89.6 | 44% | 0.44 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.4 | -31.3 | -179.6 | -60.2 | -179.9 | 0 | 0 | 0 | 112.5 | I49 M53 S57 Y58 Y59 | I49-L55 HydrophobicContact CG2-CD2 3.49Å; I49-L55 VanDerWaalsContact CG2-CD2 3.49Å; M53-L55 PolarHBondContact O-N 3.18Å; L55-S57 VanDerWaalsContact C-N 3.34Å; L55-Y58 PolarHBondContact O-N 3.47Å; L55-Y59 HydrophobicContact CB-CD2 4.42Å; L55-Y59 HydrophobicContact CD2-CE2 4.47Å; L55-Y59 VanDerWaalsContact O-CD2 3.22Å; L55-Y59 WeakPolarHBondContact O-CD2 3.44Å; L55-Y59 PolarHBondContact O-N 3.36Å |
| 56 | L | 92.3 | Very high | 90.1 | Very high | 56 Ų | 56 | 88.5 Ų | 88.5 | 29% | 0.293 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.2 | -45.5 | 177.4 | -82.2 | 65 | 0 | 0 | 0 | 109.9 | N54 G60 L61 W65 | N54-L56 VanDerWaalsContact C-N 3.28Å; N54-L56 PolarHBondContact O-N 2.96Å; N54-L56 WeakPolarHBondContact OD1-CB 3.4Å; N54-L56 PolarHBondContact OD1-N 2.74Å; L56-G60 CarbonylContact O-C 3.27Å; L56-G60 PolarHBondContact O-N 3.13Å; L56-G60 VanDerWaalsContact O-N 3.11Å; L56-L61 PolarHBondContact O-N 3.37Å; L56-W65 HydrophobicContact CD2-CB 3.76Å; L56-W65 HydrophobicContact CD2-CD2 3.82Å; L56-W65 HydrophobicContact CD2-CE3 4.38Å; L56-W65 HydrophobicContact CD2-CG 3.49Å; L56-W65 VanDerWaalsContact CD2-CG 3.49Å |
| 57 | S | 91.4 | Very high | 90.3 | Very high | 62 Ų | 62 | 88.9 Ų | 88.9 | 43% | 0.434 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -71.8 | -38.9 | 177.7 | -54 | 0 | 0 | 0 | 0 | 112.8 | N54 L55 Y59 G60 D62 | N54-S57 PolarHBondContact ND2-OG 3.37Å; N54-S57 PolarHBondContact O-N 2.98Å; L55-S57 VanDerWaalsContact C-N 3.34Å; S57-Y59 VanDerWaalsContact C-N 3.3Å; S57-Y59 PolarHBondContact O-N 2.94Å; S57-G60 PolarHBondContact O-N 3.13Å; S57-G60 VanDerWaalsContact O-N 3.11Å; S57-D62 WeakPolarHBondContact CA-OD2 3.16Å; S57-D62 VanDerWaalsContact CB-OD2 3.26Å; S57-D62 WeakPolarHBondContact CB-OD2 3.49Å; S57-D62 PolarHBondContact N-OD2 3.18Å; S57-D62 PolarHBondContact OG-OD2 3.28Å |
| 58 | Y | 92.5 | Very high | 90.2 | Very high | 106 Ų | 106 | 88.9 Ų | 88.9 | 42% | 0.416 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.8 | -39.9 | 177.3 | -179.3 | -100.8 | 0 | 0 | 0 | 112.8 | I49 M53 N54 L55 | I49-Y58 HydrophobicContact CD1-CD1 4.37Å; I49-Y58 HydrophobicContact CD1-CE1 3.73Å; I49-Y58 HydrophobicContact CG1-CD1 4.32Å; I49-Y58 HydrophobicContact CG1-CE1 3.71Å; M53-Y58 HydrophobicContact CE-CD1 3.96Å; M53-Y58 HydrophobicContact CE-CD2 3.15Å; M53-Y58 HydrophobicContact CE-CE1 4.3Å; M53-Y58 HydrophobicContact CE-CE2 3.55Å; M53-Y58 HydrophobicContact CE-CG 3.37Å; M53-Y58 HydrophobicContact SD-CD2 3.42Å; M53-Y58 WeakPolarHBondContact SD-CD2 3.36Å; M53-Y58 HydrophobicContact SD-CE2 4.05Å; M53-Y58 HydrophobicContact SD-CG 4.01Å; N54-Y58 WeakPolarHBondContact O-CB 3.46Å; N54-Y58 PolarHBondContact O-N 3.08Å; L55-Y58 PolarHBondContact O-N 3.47Å |
| 59 | Y | 93.7 | Very high | 90 | Very high | 135 Ų | 135 | 87.2 Ų | 87.2 | 53% | 0.529 | 48% | 0.483 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | 4.8 | 177 | -67.8 | -68.4 | 0 | 0 | 0 | 113.9 | I49 L55 S57 L61 | I49-Y59 WeakPolarHBondContact CD1-OH 3.5Å; L55-Y59 HydrophobicContact CB-CD2 4.42Å; L55-Y59 HydrophobicContact CD2-CE2 4.47Å; L55-Y59 VanDerWaalsContact O-CD2 3.22Å; L55-Y59 WeakPolarHBondContact O-CD2 3.44Å; L55-Y59 PolarHBondContact O-N 3.36Å; S57-Y59 VanDerWaalsContact C-N 3.3Å; S57-Y59 PolarHBondContact O-N 2.94Å; Y59-L61 PolarHBondContact O-N 3.06Å |
| 60 | G | 92.4 | Very high | 89.4 | Confident | 59 Ų | 59 | 88.6 Ų | 88.6 | 61% | 0.608 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.2 | 24.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | L56 S57 | L56-G60 CarbonylContact O-C 3.27Å; L56-G60 PolarHBondContact O-N 3.13Å; L56-G60 VanDerWaalsContact O-N 3.11Å; S57-G60 PolarHBondContact O-N 3.13Å; S57-G60 VanDerWaalsContact O-N 3.11Å |
| 61 | L | 94.2 | Very high | 88.6 | Confident | 92 Ų | 92 | 90.3 Ų | 90.3 | 48% | 0.482 | 50% | 0.497 | S | S | . | . | trans | -87.9 | -3.4 | -175.8 | -62.3 | 177 | 0 | 0 | 0 | 113.9 | L56 Y59 H63 A64 W65 | L56-L61 PolarHBondContact O-N 3.37Å; Y59-L61 PolarHBondContact O-N 3.06Å; L61-H63 VanDerWaalsContact C-N 3.26Å; L61-H63 PolarHBondContact O-N 3.21Å; L61-A64 PolarHBondContact O-N 3.41Å; L61-W65 WeakPolarHBondContact O-CB 3.48Å; L61-W65 PolarHBondContact O-N 2.95Å | ||
| 62 | D | 92 | Very high | 87.4 | Confident | 56 Ų | 56 | 95.9 Ų | 95.9 | 30% | 0.299 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -52.8 | -42.6 | -178.9 | -75.5 | -61 | 0 | 0 | 0 | 112.9 | S57 N66 | S57-D62 WeakPolarHBondContact CA-OD2 3.16Å; S57-D62 VanDerWaalsContact CB-OD2 3.26Å; S57-D62 WeakPolarHBondContact CB-OD2 3.49Å; S57-D62 PolarHBondContact N-OD2 3.18Å; S57-D62 PolarHBondContact OG-OD2 3.28Å; D62-N66 WeakPolarHBondContact O-CB 3.25Å; D62-N66 VanDerWaalsContact O-CG 3.3Å; D62-N66 PolarHBondContact O-N 3.47Å; D62-N66 PolarHBondContact O-ND2 3.04Å |
| 63 | H | 89.7 | Confident | 86 | Confident | 146 Ų | 146 | 100 Ų | 100 | 68% | 0.676 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -67.7 | -41 | 178.9 | -174.6 | -80 | 0 | 0 | 0 | 112.1 | L61 K67 | L61-H63 VanDerWaalsContact C-N 3.26Å; L61-H63 PolarHBondContact O-N 3.21Å; H63-K67 WeakPolarHBondContact O-CB 3.43Å; H63-K67 PolarHBondContact O-N 2.94Å |
| 64 | A | 88.6 | Confident | 84.6 | Confident | 39 Ų | 39 | 100.5 Ų | 100.5 | 32% | 0.322 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.5 | -46.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111 | L61 N66 K67 F68 | L61-A64 PolarHBondContact O-N 3.41Å; A64-N66 PolarHBondContact O-N 3.17Å; A64-K67 PolarHBondContact O-N 3.4Å; A64-F68 HydrophobicContact CB-CD2 4.38Å; A64-F68 WeakPolarHBondContact O-CB 3.49Å; A64-F68 WeakPolarHBondContact O-CD2 3.42Å; A64-F68 PolarHBondContact O-N 3Å |
| 65 | W | 88.5 | Confident | 83.1 | Confident | 135 Ų | 135 | 104.7 Ų | 104.7 | 51% | 0.511 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -57 | -47.9 | 175.3 | 177.8 | -94.1 | 0 | 0 | 0 | 111.7 | L56 L61 K67 F68 C69 | L56-W65 HydrophobicContact CD2-CB 3.76Å; L56-W65 HydrophobicContact CD2-CD2 3.82Å; L56-W65 HydrophobicContact CD2-CE3 4.38Å; L56-W65 HydrophobicContact CD2-CG 3.49Å; L56-W65 VanDerWaalsContact CD2-CG 3.49Å; L61-W65 WeakPolarHBondContact O-CB 3.48Å; L61-W65 PolarHBondContact O-N 2.95Å; W65-K67 VanDerWaalsContact C-N 3.33Å; W65-K67 PolarHBondContact O-N 3.39Å; W65-F68 PolarHBondContact O-N 3.43Å; W65-C69 HydrophobicContact CD2-CB 3.76Å; W65-C69 HydrophobicContact CE3-CB 3.94Å; W65-C69 HydrophobicContact CG-CB 4.31Å; W65-C69 HydrophobicContact CH2-CB 4.12Å; W65-C69 HydrophobicContact CZ2-CB 3.95Å; W65-C69 HydrophobicContact CZ3-CB 4.11Å; W65-C69 VanDerWaalsContact CZ3-SG 3.58Å; W65-C69 WeakPolarHBondContact O-CA 3.47Å; W65-C69 VanDerWaalsContact O-CB 3.23Å; W65-C69 WeakPolarHBondContact O-CB 3.4Å; W65-C69 PolarHBondContact O-N 3.2Å |
| 66 | N | 88.9 | Confident | 82 | Confident | 80 Ų | 80 | 105.3 Ų | 105.3 | 43% | 0.428 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.6 | -38.7 | 178.3 | -76.9 | -38.2 | 0 | 0 | 0 | 112.6 | D62 A64 N70 | D62-N66 WeakPolarHBondContact O-CB 3.25Å; D62-N66 VanDerWaalsContact O-CG 3.3Å; D62-N66 PolarHBondContact O-N 3.47Å; D62-N66 PolarHBondContact O-ND2 3.04Å; A64-N66 PolarHBondContact O-N 3.17Å; N66-N70 WeakPolarHBondContact O-CB 3.33Å; N66-N70 PolarHBondContact OD1-ND2 2.71Å |
| 67 | K | 85.1 | Confident | 81 | Confident | 126 Ų | 126 | 106.6 Ų | 106.6 | 55% | 0.548 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -69.2 | -43.4 | 178.7 | -169.8 | 177.7 | -179 | -176.9 | 0 | 112.4 | H63 A64 W65 | H63-K67 WeakPolarHBondContact O-CB 3.43Å; H63-K67 PolarHBondContact O-N 2.94Å; A64-K67 PolarHBondContact O-N 3.4Å; W65-K67 VanDerWaalsContact C-N 3.33Å; W65-K67 PolarHBondContact O-N 3.39Å |
| 68 | F | 83 | Confident | 80.1 | Confident | 112 Ų | 112 | 108.1 Ų | 108.1 | 49% | 0.491 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -100.5 | -16.7 | -168.9 | -64.2 | -67.2 | 0 | 0 | 0 | 115.4 | A64 W65 L74 | A64-F68 HydrophobicContact CB-CD2 4.38Å; A64-F68 WeakPolarHBondContact O-CB 3.49Å; A64-F68 WeakPolarHBondContact O-CD2 3.42Å; A64-F68 PolarHBondContact O-N 3Å; W65-F68 PolarHBondContact O-N 3.43Å; F68-L74 HydrophobicContact CB-CD1 4.3Å; F68-L74 HydrophobicContact CD1-CD1 4.4Å; F68-L74 WeakPolarHBondContact O-CD1 3.1Å |
| 69 | C | 82 | Confident | 79.3 | Confident | 62 Ų | 62 | 104.9 Ų | 104.9 | 42% | 0.419 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -117.3 | -30 | -175.3 | -59.3 | 0 | 0 | 0 | 0 | 113.3 | W65 N71 | W65-C69 HydrophobicContact CD2-CB 3.76Å; W65-C69 HydrophobicContact CE3-CB 3.94Å; W65-C69 HydrophobicContact CG-CB 4.31Å; W65-C69 HydrophobicContact CH2-CB 4.12Å; W65-C69 HydrophobicContact CZ2-CB 3.95Å; W65-C69 HydrophobicContact CZ3-CB 4.11Å; W65-C69 VanDerWaalsContact CZ3-SG 3.58Å; W65-C69 WeakPolarHBondContact O-CA 3.47Å; W65-C69 VanDerWaalsContact O-CB 3.23Å; W65-C69 WeakPolarHBondContact O-CB 3.4Å; W65-C69 PolarHBondContact O-N 3.2Å; C69-N71 VanDerWaalsContact C-N 3.31Å; C69-N71 PolarHBondContact O-N 3.28Å |
| 70 | N | 77.3 | Confident | 78.5 | Confident | 92 Ų | 92 | 101.3 Ų | 101.3 | 49% | 0.492 | 52% | 0.516 | S | S | . | . | S | Bend | trans | -73.3 | -25.3 | 177.7 | -68.1 | 7.4 | 0 | 0 | 0 | 112.6 | N66 K72 | N66-N70 WeakPolarHBondContact O-CB 3.33Å; N66-N70 PolarHBondContact OD1-ND2 2.71Å; N70-K72 PolarHBondContact O-N 3.14Å |
| 71 | N | 70.7 | Confident | 77.9 | Confident | 108 Ų | 108 | 104.7 Ų | 104.7 | 58% | 0.578 | 51% | 0.514 | S | S | * | . | trans | -82.7 | 95.6 | 174.8 | -82.2 | -25.2 | 0 | 0 | 0 | 110.5 | C69 K73 L74 | C69-N71 VanDerWaalsContact C-N 3.31Å; C69-N71 PolarHBondContact O-N 3.28Å; N71-K73 PolarHBondContact O-N 2.85Å; N71-L74 HydrophobicContact CB-CD1 4.03Å; N71-L74 HydrophobicContact CB-CG 4.22Å; N71-L74 PolarHBondContact O-N 3.36Å | ||
| 72 | K | 63.7 | Low | 77.2 | Confident | 209 Ų | 209 | 104.2 Ų | 104.2 | 91% | 0.909 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | 1.4 | 180 | -62 | -177.4 | -179.9 | -178.5 | 0 | 116 | N70 | N70-K72 PolarHBondContact O-N 3.14Š|
| 73 | K | 63.3 | Low | 76.5 | Confident | 200 Ų | 200 | 106.7 Ų | 106.7 | 87% | 0.87 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.6 | 20.6 | -173.4 | -65.1 | -172.4 | 179.4 | 179.4 | 0 | 114.1 | N71 K75 | N71-K73 PolarHBondContact O-N 2.85Å; K73-K75 PolarHBondContact O-N 3.44Å |
| 74 | L | 61.6 | Low | 76.1 | Confident | 67 Ų | 67 | 107.2 Ų | 107.2 | 35% | 0.351 | 54% | 0.537 | S | S | . | . | trans | -74.9 | 79.2 | 176.1 | -76.8 | 162.4 | 0 | 0 | 0 | 111.3 | F68 N71 E76 | F68-L74 HydrophobicContact CB-CD1 4.3Å; F68-L74 HydrophobicContact CD1-CD1 4.4Å; F68-L74 WeakPolarHBondContact O-CD1 3.1Å; N71-L74 HydrophobicContact CB-CD1 4.03Å; N71-L74 HydrophobicContact CB-CG 4.22Å; N71-L74 PolarHBondContact O-N 3.36Å; L74-E76 HydrophobicContact CD2-CG 3.76Å; L74-E76 WeakPolarHBondContact CD2-OE1 3.4Å | ||
| 75 | K | 61.4 | Low | 75.6 | Confident | 172 Ų | 172 | 109.5 Ų | 109.5 | 75% | 0.748 | 54% | 0.543 | S | S | * | . | trans | -111.1 | 67.9 | 154.9 | -166.3 | -179 | 178.9 | -173.4 | 0 | 106.3 | K73 E77 | K73-K75 PolarHBondContact O-N 3.44Å; K75-E77 PolarHBondContact O-N 3.49Å; K75-E77 VanDerWaalsContact O-N 3.1Å | ||
| 76 | E | 69 | Low | 75.1 | Confident | 97 Ų | 97 | 109 Ų | 109 | 45% | 0.453 | 56% | 0.557 | S | S | . | * | trans | -71.1 | 101.8 | 172.1 | -71.3 | 178.1 | 174.2 | 0 | 0 | 107.2 | L74 A80 F81 | L74-E76 HydrophobicContact CD2-CG 3.76Å; L74-E76 WeakPolarHBondContact CD2-OE1 3.4Å; E76-A80 HydrophobicContact CB-CB 4.31Å; E76-F81 HydrophobicContact CB-CE2 3.86Å; E76-F81 HydrophobicContact CB-CZ 4.15Å; E76-F81 WeakPolarHBondContact OE2-CZ 3.39Å | ||
| 77 | E | 71.2 | Confident | 74.2 | Confident | 83 Ų | 83 | 108 Ų | 108 | 39% | 0.388 | 57% | 0.566 | S | S | . | * | trans | -60.2 | 150.7 | 163.9 | -73.2 | 178.6 | 178 | 0 | 0 | 108.5 | K75 S79 A80 D90 | K75-E77 PolarHBondContact O-N 3.49Å; K75-E77 VanDerWaalsContact O-N 3.1Å; E77-S79 VanDerWaalsContact CB-OG 3.26Å; E77-S79 WeakPolarHBondContact CB-OG 3.47Å; E77-S79 PolarHBondContact O-N 3.35Å; E77-S79 VanDerWaalsContact O-N 3.12Å; E77-A80 WeakPolarHBondContact O-CB 3.18Å; E77-A80 PolarHBondContact O-N 3.2Å; E77-D90 WeakPolarHBondContact CB-OD1 3.32Å | ||
| 78 | L | 73.6 | Confident | 73.5 | Confident | 94 Ų | 94 | 107.9 Ų | 107.9 | 49% | 0.492 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -56.8 | -30.7 | 179 | -175.8 | 62.3 | 0 | 0 | 0 | 110.7 | A80 F81 I89 D90 | L78-A80 PolarHBondContact O-N 2.77Å; L78-F81 HydrophobicContact CD1-CD2 4.41Å; L78-F81 PolarHBondContact O-N 2.82Å; L78-I89 HydrophobicContact CD2-CG2 3.82Å; L78-I89 HydrophobicContact CG-CG2 4.26Å; L78-D90 WeakPolarHBondContact CA-OD1 2.95Å; L78-D90 VanDerWaalsContact CB-OD1 3.3Å; L78-D90 WeakPolarHBondContact CB-OD1 3.5Å; L78-D90 PolarHBondContact N-OD1 2.84Å |
| 79 | S | 74.8 | Confident | 73 | Confident | 38 Ų | 38 | 104.6 Ų | 104.6 | 27% | 0.266 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -54.2 | -30.9 | 169.6 | 54.7 | 0 | 0 | 0 | 0 | 114.3 | E77 F81 M82 D90 | E77-S79 VanDerWaalsContact CB-OG 3.26Å; E77-S79 WeakPolarHBondContact CB-OG 3.47Å; E77-S79 PolarHBondContact O-N 3.35Å; E77-S79 VanDerWaalsContact O-N 3.12Å; S79-F81 VanDerWaalsContact C-N 3.27Å; S79-F81 PolarHBondContact O-N 3.07Å; S79-M82 CarbonylContact O-C 3.33Å; S79-M82 PolarHBondContact O-N 3.06Å; S79-M82 VanDerWaalsContact O-N 3.15Å; S79-D90 VanDerWaalsContact CB-OD2 3.28Å; S79-D90 WeakPolarHBondContact CB-OD2 3.26Å; S79-D90 PolarHBondContact N-OD1 3.33Å; S79-D90 PolarHBondContact OG-OD2 2.93Å |
| 80 | A | 77 | Confident | 72.4 | Confident | 60 Ų | 60 | 104.3 Ų | 104.3 | 50% | 0.496 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -66.4 | -28 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | E76 E77 L78 M82 | E76-A80 HydrophobicContact CB-CB 4.31Å; E77-A80 WeakPolarHBondContact O-CB 3.18Å; E77-A80 PolarHBondContact O-N 3.2Å; L78-A80 PolarHBondContact O-N 2.77Å; A80-M82 VanDerWaalsContact C-N 3.35Å |
| 81 | F | 79.5 | Confident | 71.8 | Confident | 130 Ų | 130 | 103.1 Ų | 103.1 | 57% | 0.57 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -81.9 | -14.7 | 175.8 | -62.3 | -84.9 | 0 | 0 | 0 | 113 | E76 L78 S79 P83 | E76-F81 HydrophobicContact CB-CE2 3.86Å; E76-F81 HydrophobicContact CB-CZ 4.15Å; E76-F81 WeakPolarHBondContact OE2-CZ 3.39Å; L78-F81 HydrophobicContact CD1-CD2 4.41Å; L78-F81 PolarHBondContact O-N 2.82Å; S79-F81 VanDerWaalsContact C-N 3.27Å; S79-F81 PolarHBondContact O-N 3.07Å; F81-P83 VanDerWaalsContact C-CD 3.45Å |
| 82 | M | 79.8 | Confident | 71.7 | Confident | 83 Ų | 83 | 102.3 Ų | 102.3 | 41% | 0.409 | 56% | 0.564 | S | S | . | * | trans | -128.7 | 61.8 | -178.1 | -60 | -165.1 | 77.2 | 0 | 0 | 111.5 | S79 A80 N84 L85 I89 | S79-M82 CarbonylContact O-C 3.33Å; S79-M82 PolarHBondContact O-N 3.06Å; S79-M82 VanDerWaalsContact O-N 3.15Å; A80-M82 VanDerWaalsContact C-N 3.35Å; M82-N84 PolarHBondContact O-N 3.05Å; M82-L85 HydrophobicContact CB-CB 4.04Å; M82-L85 HydrophobicContact CE-CB 4.12Å; M82-L85 HydrophobicContact CE-CD1 4.4Å; M82-L85 HydrophobicContact CE-CD2 3.78Å; M82-L85 HydrophobicContact CE-CG 4.31Å; M82-L85 PolarHBondContact O-N 2.85Å; M82-L85 VanDerWaalsContact O-N 3.09Å; M82-L85 HydrophobicContact SD-CD2 4.1Å; M82-I89 HydrophobicContact CB-CD1 3.75Å; M82-I89 HydrophobicContact CG-CD1 4.39Å; M82-I89 HydrophobicContact SD-CD1 4.11Å | ||
| 83 | P | 77.1 | Confident | 71.6 | Confident | 107 Ų | 107 | 95.6 Ų | 95.6 | 70% | 0.695 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.7 | -21.7 | -175.2 | 25.8 | -35.5 | 0 | 0 | 0 | 113.6 | F81 | F81-P83 VanDerWaalsContact C-CD 3.45Š|
| 84 | N | 81.8 | Confident | 72.1 | Confident | 157 Ų | 157 | 90.2 Ų | 90.2 | 84% | 0.84 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.2 | -3 | -177.2 | -60.5 | -38.2 | 0 | 0 | 0 | 113.8 | M82 P86 | M82-N84 PolarHBondContact O-N 3.05Å; N84-P86 WeakPolarHBondContact O-CD 3.19Å |
| 85 | L | 79 | Confident | 72.9 | Confident | 88 Ų | 88 | 92.1 Ų | 92.1 | 46% | 0.461 | 55% | 0.552 | S | S | . | * | trans | -97.1 | 115.7 | -177.5 | -163 | 79.8 | 0 | 0 | 0 | 110.2 | M82 G87 I89 | M82-L85 HydrophobicContact CB-CB 4.04Å; M82-L85 HydrophobicContact CE-CB 4.12Å; M82-L85 HydrophobicContact CE-CD1 4.4Å; M82-L85 HydrophobicContact CE-CD2 3.78Å; M82-L85 HydrophobicContact CE-CG 4.31Å; M82-L85 PolarHBondContact O-N 2.85Å; M82-L85 VanDerWaalsContact O-N 3.09Å; M82-L85 HydrophobicContact SD-CD2 4.1Å; L85-G87 PolarHBondContact O-N 3.15Å; L85-I89 HydrophobicContact CB-CD1 3.91Å; L85-I89 HydrophobicContact CD2-CD1 3.59Å; L85-I89 HydrophobicContact CD2-CG1 4.11Å; L85-I89 HydrophobicContact CG-CD1 4.23Å | ||
| 86 | P | 77.4 | Confident | 73.7 | Confident | 124 Ų | 124 | 93.2 Ų | 93.2 | 81% | 0.805 | 55% | 0.551 | S | S | * | * | trans | -71.6 | 125.2 | 174.2 | 29 | -32.8 | 0 | 0 | 0 | 110 | N84 | N84-P86 WeakPolarHBondContact O-CD 3.19Š| ||
| 87 | G | 70.7 | Confident | 74.2 | Confident | 59 Ų | 59 | 95.3 Ų | 95.3 | 61% | 0.608 | 56% | 0.561 | S | S | * | * | S | Bend | trans | 146.9 | 161.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112.7 | L85 I89 | L85-G87 PolarHBondContact O-N 3.15Å; G87-I89 PolarHBondContact O-N 3.22Å |
| 88 | N | 69.2 | Low | 74.6 | Confident | 124 Ų | 124 | 95.9 Ų | 95.9 | 66% | 0.663 | 57% | 0.566 | S | S | * | * | trans | -85.8 | 94.1 | 169.7 | -176.3 | 28.1 | 0 | 0 | 0 | 108.6 | D90 | N88-D90 VanDerWaalsContact C-N 3.32Š| ||
| 89 | I | 72.9 | Confident | 75 | Confident | 42 Ų | 42 | 97.1 Ų | 97.1 | 22% | 0.215 | 57% | 0.572 | C | S | . | * | trans | -86.1 | -12.8 | -175.1 | -38.4 | 167.3 | 0 | 0 | 0 | 110.8 | L78 M82 L85 G87 A91 | L78-I89 HydrophobicContact CD2-CG2 3.82Å; L78-I89 HydrophobicContact CG-CG2 4.26Å; M82-I89 HydrophobicContact CB-CD1 3.75Å; M82-I89 HydrophobicContact CG-CD1 4.39Å; M82-I89 HydrophobicContact SD-CD1 4.11Å; L85-I89 HydrophobicContact CB-CD1 3.91Å; L85-I89 HydrophobicContact CD2-CD1 3.59Å; L85-I89 HydrophobicContact CD2-CG1 4.11Å; L85-I89 HydrophobicContact CG-CD1 4.23Å; G87-I89 PolarHBondContact O-N 3.22Å; I89-A91 PolarHBondContact O-N 3.32Å | ||
| 90 | D | 69.3 | Low | 75.3 | Confident | 57 Ų | 57 | 102 Ų | 102 | 31% | 0.305 | 59% | 0.591 | S | S | . | * | trans | -76.1 | 6.1 | -173.1 | -59.5 | -49.4 | 0 | 0 | 0 | 113.8 | E77 L78 S79 N88 A92 | E77-D90 WeakPolarHBondContact CB-OD1 3.32Å; L78-D90 WeakPolarHBondContact CA-OD1 2.95Å; L78-D90 VanDerWaalsContact CB-OD1 3.3Å; L78-D90 WeakPolarHBondContact CB-OD1 3.5Å; L78-D90 PolarHBondContact N-OD1 2.84Å; S79-D90 VanDerWaalsContact CB-OD2 3.28Å; S79-D90 WeakPolarHBondContact CB-OD2 3.26Å; S79-D90 PolarHBondContact N-OD1 3.33Å; S79-D90 PolarHBondContact OG-OD2 2.93Å; N88-D90 VanDerWaalsContact C-N 3.32Å; D90-A92 PolarHBondContact O-N 2.96Å | ||
| 91 | A | 65.9 | Low | 75.4 | Confident | 67 Ų | 67 | 107.1 Ų | 107.1 | 55% | 0.554 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -89.9 | 102.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | I89 | I89-A91 PolarHBondContact O-N 3.32Š|
| 92 | A | 67.4 | Low | 75.2 | Confident | 90 Ų | 90 | 105.2 Ų | 105.2 | 74% | 0.744 | 60% | 0.603 | S | S | * | * | trans | 13.3 | 119.9 | 162.7 | 0 | 0 | 0 | 0 | 0 | 120 | D90 | D90-A92 PolarHBondContact O-N 2.96Š| ||
| 93 | G | 61.1 | Low | 74.8 | Confident | 69 Ų | 69 | 105.1 Ų | 105.1 | 71% | 0.711 | 61% | 0.608 | S | S | * | * | trans | -79.9 | 124.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115 | L95 | G93-L95 PolarHBondContact O-N 3.09Š| ||
| 94 | S | 74.1 | Confident | 74.4 | Confident | 87 Ų | 87 | 108.6 Ų | 108.6 | 61% | 0.608 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.6 | -3.1 | 168.1 | 54.6 | 0 | 0 | 0 | 0 | 113.8 | R96 Q97 L98 | S94-R96 PolarHBondContact O-N 3.15Å; S94-Q97 WeakPolarHBondContact O-CB 3.28Å; S94-Q97 PolarHBondContact O-N 3.41Å; S94-L98 PolarHBondContact O-N 2.97Å |
| 95 | L | 78.5 | Confident | 73.3 | Confident | 107 Ų | 107 | 105.2 Ų | 105.2 | 56% | 0.56 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -59.8 | -33.1 | -173.3 | -170 | 66 | 0 | 0 | 0 | 112.9 | G93 Q97 L98 I99 | G93-L95 PolarHBondContact O-N 3.09Å; L95-Q97 VanDerWaalsContact C-N 3.28Å; L95-Q97 PolarHBondContact O-N 3.29Å; L95-L98 HydrophobicContact CD1-CB 4.47Å; L95-L98 HydrophobicContact CD1-CD2 4.07Å; L95-L98 WeakPolarHBondContact O-CB 3.3Å; L95-L98 PolarHBondContact O-N 3.11Å; L95-L98 VanDerWaalsContact O-N 3.11Å; L95-I99 HydrophobicContact CD2-CD1 4.42Å; L95-I99 HydrophobicContact CG-CD1 4.01Å; L95-I99 HydrophobicContact CG-CG1 4.37Å; L95-I99 WeakPolarHBondContact O-CG1 3.34Å; L95-I99 PolarHBondContact O-N 3.42Å |
| 96 | R | 78.7 | Confident | 72.3 | Confident | 195 Ų | 195 | 104.5 Ų | 104.5 | 74% | 0.736 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -57.1 | -42.1 | 174.4 | -74 | -174.9 | -179.5 | -100.6 | 0.9 | 112 | S94 L98 I99 E100 | S94-R96 PolarHBondContact O-N 3.15Å; R96-L98 VanDerWaalsContact C-N 3.31Å; R96-L98 PolarHBondContact O-N 3.37Å; R96-I99 PolarHBondContact O-N 3.39Å; R96-E100 WeakPolarHBondContact O-CB 3.4Å; R96-E100 VanDerWaalsContact O-CG 3.31Å; R96-E100 WeakPolarHBondContact O-CG 3.42Å; R96-E100 PolarHBondContact O-N 2.85Å |
| 97 | Q | 79.3 | Confident | 71.4 | Confident | 140 Ų | 140 | 107.1 Ų | 107.1 | 65% | 0.654 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -66.9 | -35.7 | 178 | -63.7 | 177.8 | -9.9 | 0 | 0 | 111.8 | S94 L95 K101 | S94-Q97 WeakPolarHBondContact O-CB 3.28Å; S94-Q97 PolarHBondContact O-N 3.41Å; L95-Q97 VanDerWaalsContact C-N 3.28Å; L95-Q97 PolarHBondContact O-N 3.29Å; Q97-K101 PolarHBondContact O-N 3.46Å |
| 98 | L | 79.9 | Confident | 71.3 | Confident | 95 Ų | 95 | 112.4 Ų | 112.4 | 50% | 0.497 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -69.7 | -34.2 | 176.3 | -165.5 | 72.4 | 0 | 0 | 0 | 112.1 | S94 L95 R96 K101 P102 P103 | S94-L98 PolarHBondContact O-N 2.97Å; L95-L98 HydrophobicContact CD1-CB 4.47Å; L95-L98 HydrophobicContact CD1-CD2 4.07Å; L95-L98 WeakPolarHBondContact O-CB 3.3Å; L95-L98 PolarHBondContact O-N 3.11Å; L95-L98 VanDerWaalsContact O-N 3.11Å; R96-L98 VanDerWaalsContact C-N 3.31Å; R96-L98 PolarHBondContact O-N 3.37Å; L98-K101 CarbonylContact O-C 3.56Å; L98-K101 VanDerWaalsContact O-C 3.27Å; L98-P102 VanDerWaalsContact O-CA 3.25Å; L98-P102 WeakPolarHBondContact O-CA 3.32Å; L98-P103 HydrophobicContact CD1-CG 4.1Å |
| 99 | I | 81.2 | Confident | 71.4 | Confident | 120 Ų | 120 | 114 Ų | 114 | 62% | 0.615 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -71.9 | -45.6 | 175.2 | -66.8 | 164.8 | 0 | 0 | 0 | 110.6 | L95 R96 K101 | L95-I99 HydrophobicContact CD2-CD1 4.42Å; L95-I99 HydrophobicContact CG-CD1 4.01Å; L95-I99 HydrophobicContact CG-CG1 4.37Å; L95-I99 WeakPolarHBondContact O-CG1 3.34Å; L95-I99 PolarHBondContact O-N 3.42Å; R96-I99 PolarHBondContact O-N 3.39Å; I99-K101 VanDerWaalsContact C-N 3.34Å |
| 100 | E | 82.4 | Confident | 71.4 | Confident | 141 Ų | 141 | 118.1 Ų | 118.1 | 66% | 0.659 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -66.4 | -36.9 | -179.9 | -75.2 | 171.3 | -168.3 | 0 | 0 | 112.4 | R96 | R96-E100 WeakPolarHBondContact O-CB 3.4Å; R96-E100 VanDerWaalsContact O-CG 3.31Å; R96-E100 WeakPolarHBondContact O-CG 3.42Å; R96-E100 PolarHBondContact O-N 2.85Å |
| 101 | K | 79.4 | Confident | 71.7 | Confident | 167 Ų | 167 | 120.9 Ų | 120.9 | 73% | 0.726 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -127.1 | 80.9 | 177.7 | -65 | -178.1 | -177.2 | -179.5 | 0 | 107.5 | Q97 L98 I99 | Q97-K101 PolarHBondContact O-N 3.46Å; L98-K101 CarbonylContact O-C 3.56Å; L98-K101 VanDerWaalsContact O-C 3.27Å; I99-K101 VanDerWaalsContact C-N 3.34Å |
| 102 | P | 74.7 | Confident | 72.1 | Confident | 91 Ų | 91 | 122.8 Ų | 122.8 | 59% | 0.591 | 68% | 0.679 | S | S | * | * | trans | -54.6 | 131.8 | 172.1 | 24.4 | -32.3 | 0 | 0 | 0 | 106.8 | L98 I104 | L98-P102 VanDerWaalsContact O-CA 3.25Å; L98-P102 WeakPolarHBondContact O-CA 3.32Å; P102-I104 PolarHBondContact O-N 3.35Å | ||
| 103 | P | 69.9 | Low | 72.8 | Confident | 81 Ų | 81 | 120.1 Ų | 120.1 | 53% | 0.526 | 66% | 0.66 | S | S | . | * | trans | -53.2 | 139.2 | 173.3 | 24.1 | -31.1 | 0 | 0 | 0 | 106.6 | L98 C105 | L98-P103 HydrophobicContact CD1-CG 4.1Å; P103-C105 WeakPolarHBondContact O-CB 3.45Å; P103-C105 PolarHBondContact O-N 3.1Å | ||
| 104 | I | 68.7 | Low | 73.5 | Confident | 179 Ų | 179 | 121.6 Ų | 121.6 | 92% | 0.918 | 66% | 0.659 | S | S | * | * | trans | -66.1 | 79.3 | -178.8 | -55.8 | 167.8 | 0 | 0 | 0 | 107 | P102 G106 | P102-I104 PolarHBondContact O-N 3.35Å; I104-G106 PolarHBondContact O-N 2.81Å | ||
| 105 | C | 59.3 | Low | 73.8 | Confident | 86 Ų | 86 | 121.4 Ų | 121.4 | 58% | 0.581 | 66% | 0.663 | S | S | * | * | trans | -97.2 | 74.4 | -169.4 | -159.4 | 0 | 0 | 0 | 0 | 106.4 | P103 K107 | P103-C105 WeakPolarHBondContact O-CB 3.45Å; P103-C105 PolarHBondContact O-N 3.1Å; C105-K107 VanDerWaalsContact C-N 3.3Å; C105-K107 PolarHBondContact SG-O 3.27Å | ||
| 106 | G | 59.3 | Low | 73.9 | Confident | 74 Ų | 74 | 121.9 Ų | 121.9 | 76% | 0.763 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -86.7 | -3.5 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | I104 | I104-G106 PolarHBondContact O-N 2.81Š|
| 107 | K | 58 | Low | 74 | Confident | 179 Ų | 179 | 115.1 Ų | 115.1 | 78% | 0.778 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -144.6 | 129.3 | -179.5 | -57.2 | -179.5 | -174.9 | -178.3 | 0 | 106.9 | C105 | C105-K107 VanDerWaalsContact C-N 3.3Å; C105-K107 PolarHBondContact SG-O 3.27Å |
| 108 | E | 68.9 | Low | 74 | Confident | 170 Ų | 170 | 112.3 Ų | 112.3 | 79% | 0.794 | 64% | 0.635 | S | S | * | * | trans | -34.9 | 144.9 | 169.1 | -171.3 | 176.8 | -171.6 | 0 | 0 | 111.8 | L110 | E108-L110 VanDerWaalsContact C-N 3.29Å; E108-L110 PolarHBondContact O-N 3.12Å | ||
| 109 | I | 70.8 | Confident | 73.8 | Confident | 156 Ų | 156 | 111.4 Ų | 111.4 | 80% | 0.8 | 65% | 0.648 | S | S | * | * | trans | -60.9 | 97.5 | 173.4 | -58.6 | 172.1 | 0 | 0 | 0 | 106.6 | ||||
| 110 | L | 73.3 | Confident | 73.8 | Confident | 129 Ų | 129 | 112.8 Ų | 112.8 | 68% | 0.675 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -60 | 125.2 | 179.3 | -74.1 | 167.9 | 0 | 0 | 0 | 107.5 | E108 L112 | E108-L110 VanDerWaalsContact C-N 3.29Å; E108-L110 PolarHBondContact O-N 3.12Å; L110-L112 PolarHBondContact O-N 2.85Å; L110-L112 VanDerWaalsContact O-N 3.17Å |
| 111 | P | 74.4 | Confident | 73.8 | Confident | 115 Ų | 115 | 114.8 Ų | 114.8 | 75% | 0.747 | 65% | 0.652 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 124.8 | 176.8 | 24.3 | -32 | 0 | 0 | 0 | 108.2 | G113 | P111-G113 PolarHBondContact O-N 3Š|
| 112 | L | 75.8 | Confident | 73.6 | Confident | 108 Ų | 108 | 114.6 Ų | 114.6 | 57% | 0.565 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 129.8 | -179.9 | -65.7 | 173.4 | 0 | 0 | 0 | 109.7 | L110 E116 T117 | L110-L112 PolarHBondContact O-N 2.85Å; L110-L112 VanDerWaalsContact O-N 3.17Å; L112-E116 WeakPolarHBondContact CA-OE2 3.34Å; L112-E116 HydrophobicContact CB-CB 4.28Å; L112-E116 WeakPolarHBondContact CB-OE2 3.25Å; L112-E116 HydrophobicContact CD2-CB 4.43Å; L112-E116 WeakPolarHBondContact CD2-OE2 3.46Å; L112-T117 HydrophobicContact CB-CG2 4.47Å |
| 113 | G | 80.3 | Confident | 73.7 | Confident | 34 Ų | 34 | 118 Ų | 118 | 35% | 0.351 | 67% | 0.67 | S | S | . | * | P | Polyproline II helix | trans | -68.5 | 159.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112 | P111 A115 E116 T117 | P111-G113 PolarHBondContact O-N 3Å; G113-A115 PolarHBondContact O-N 3.19Å; G113-A115 VanDerWaalsContact O-N 3.11Å; G113-E116 PolarHBondContact N-OE2 2.72Å; G113-E116 PolarHBondContact O-N 2.86Å; G113-T117 PolarHBondContact O-N 2.98Å; G113-T117 VanDerWaalsContact O-N 3.15Å |
| 114 | S | 77.4 | Confident | 73.6 | Confident | 100 Ų | 100 | 120.5 Ų | 120.5 | 70% | 0.699 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.9 | -33.6 | 178.8 | 58.2 | 0 | 0 | 0 | 0 | 113 | T117 V118 | S114-T117 PolarHBondContact O-N 3.33Å; S114-T117 PolarHBondContact O-OG1 3.45Å; S114-V118 WeakPolarHBondContact O-CG2 3.13Å |
| 115 | A | 80 | Confident | 73.7 | Confident | 82 Ų | 82 | 115 Ų | 115 | 68% | 0.678 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.2 | -37.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | G113 V118 | G113-A115 PolarHBondContact O-N 3.19Å; G113-A115 VanDerWaalsContact O-N 3.11Å; A115-V118 WeakPolarHBondContact O-CB 3.13Å; A115-V118 WeakPolarHBondContact O-CG2 3.45Å; A115-V118 PolarHBondContact O-N 2.87Å |
| 116 | E | 80.3 | Confident | 74.2 | Confident | 117 Ų | 117 | 116.3 Ų | 116.3 | 55% | 0.547 | 68% | 0.684 | S | S | . | * | G | 310 helix | trans | -75.3 | -30.8 | 178.9 | -62.1 | 171.9 | 149.7 | 0 | 0 | 111 | L112 G113 V118 | L112-E116 WeakPolarHBondContact CA-OE2 3.34Å; L112-E116 HydrophobicContact CB-CB 4.28Å; L112-E116 WeakPolarHBondContact CB-OE2 3.25Å; L112-E116 HydrophobicContact CD2-CB 4.43Å; L112-E116 WeakPolarHBondContact CD2-OE2 3.46Å; G113-E116 PolarHBondContact N-OE2 2.72Å; G113-E116 PolarHBondContact O-N 2.86Å; E116-V118 PolarHBondContact O-N 3.32Å |
| 117 | T | 81.1 | Confident | 74.5 | Confident | 53 Ų | 53 | 117 Ų | 117 | 33% | 0.325 | 67% | 0.673 | S | S | . | * | G | 310 helix | trans | -71.2 | -10.9 | 176 | 68 | 0 | 0 | 0 | 0 | 114.1 | L112 G113 S114 G119 F120 | L112-T117 HydrophobicContact CB-CG2 4.47Å; G113-T117 PolarHBondContact O-N 2.98Å; G113-T117 VanDerWaalsContact O-N 3.15Å; S114-T117 PolarHBondContact O-N 3.33Å; S114-T117 PolarHBondContact O-OG1 3.45Å; T117-G119 PolarHBondContact O-N 2.99Å; T117-F120 WeakPolarHBondContact O-CB 3.46Å; T117-F120 PolarHBondContact O-N 2.86Å |
| 118 | V | 78.6 | Confident | 74.8 | Confident | 81 Ų | 81 | 111 Ų | 111 | 49% | 0.491 | 65% | 0.654 | S | S | . | * | G | 310 helix | trans | -60 | -34.1 | 179.1 | 178.2 | 0 | 0 | 0 | 0 | 111.3 | S114 A115 E116 F120 R121 | S114-V118 WeakPolarHBondContact O-CG2 3.13Å; A115-V118 WeakPolarHBondContact O-CB 3.13Å; A115-V118 WeakPolarHBondContact O-CG2 3.45Å; A115-V118 PolarHBondContact O-N 2.87Å; E116-V118 PolarHBondContact O-N 3.32Å; V118-F120 PolarHBondContact O-N 2.87Å; V118-R121 WeakPolarHBondContact O-CB 3.22Å; V118-R121 PolarHBondContact O-N 3.33Å; V118-R121 VanDerWaalsContact O-N 3.09Å |
| 119 | G | 76.2 | Confident | 74.4 | Confident | 76 Ų | 76 | 109.9 Ų | 109.9 | 78% | 0.784 | 65% | 0.653 | S | S | * | * | G | 310 helix | trans | -64.6 | -16.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | T117 | T117-G119 PolarHBondContact O-N 2.99Š|
| 120 | F | 81.9 | Confident | 73.9 | Confident | 149 Ų | 149 | 106.8 Ų | 106.8 | 65% | 0.654 | 63% | 0.634 | S | S | * | * | G | 310 helix | trans | -89.9 | -4.8 | 176.3 | -62.2 | -93.9 | 0 | 0 | 0 | 113.1 | T117 V118 L122 | T117-F120 WeakPolarHBondContact O-CB 3.46Å; T117-F120 PolarHBondContact O-N 2.86Å; V118-F120 PolarHBondContact O-N 2.87Å; F120-L122 PolarHBondContact O-N 3.21Å |
| 121 | R | 81.2 | Confident | 73.5 | Confident | 184 Ų | 184 | 105.3 Ų | 105.3 | 69% | 0.694 | 63% | 0.627 | S | S | * | * | trans | -73.7 | 99.4 | 178 | -64.5 | -178.6 | -178.4 | -83.2 | -2.2 | 109.5 | V118 | V118-R121 WeakPolarHBondContact O-CB 3.22Å; V118-R121 PolarHBondContact O-N 3.33Å; V118-R121 VanDerWaalsContact O-N 3.09Å | ||
| 122 | L | 75.9 | Confident | 72.9 | Confident | 163 Ų | 163 | 101.3 Ų | 101.3 | 85% | 0.853 | 60% | 0.601 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 128.2 | 173.5 | -60.2 | 177.3 | 0 | 0 | 0 | 109.6 | F120 | F120-L122 PolarHBondContact O-N 3.21Š|
| 123 | L | 75.7 | Confident | 72 | Confident | 161 Ų | 161 | 98.4 Ų | 98.4 | 84% | 0.843 | 59% | 0.589 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 136.8 | 168.5 | -67.2 | 172.3 | 0 | 0 | 0 | 108.9 | G125 | L123-G125 PolarHBondContact O-N 3.46Å; L123-G125 VanDerWaalsContact O-N 3.08Å |
| 124 | P | 69.3 | Low | 71.3 | Confident | 134 Ų | 134 | 100.2 Ų | 100.2 | 87% | 0.87 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -62.3 | 116.9 | 175.5 | 25.5 | -32.2 | 0 | 0 | 0 | 109.3 | ||
| 125 | G | 71.1 | Confident | 70.9 | Confident | 63 Ų | 63 | 101.6 Ų | 101.6 | 65% | 0.649 | 59% | 0.585 | S | S | * | * | trans | -168 | 148.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | L123 V127 | L123-G125 PolarHBondContact O-N 3.46Å; L123-G125 VanDerWaalsContact O-N 3.08Å; G125-V127 PolarHBondContact O-N 3.44Å | ||
| 126 | S | 69.3 | Low | 70.2 | Confident | 115 Ų | 115 | 106 Ų | 106 | 80% | 0.804 | 58% | 0.584 | S | S | * | * | trans | -59.6 | 125.2 | 170.7 | 60 | 0 | 0 | 0 | 0 | 107.9 | S128 | S126-S128 PolarHBondContact O-N 2.84Š| ||
| 127 | V | 65 | Low | 69.4 | Low | 88 Ų | 88 | 103.7 Ų | 103.7 | 53% | 0.533 | 58% | 0.576 | S | S | . | * | trans | -54.1 | 109.5 | 169.3 | -177.1 | 0 | 0 | 0 | 0 | 106.2 | G125 L131 | G125-V127 PolarHBondContact O-N 3.44Å; V127-L131 HydrophobicContact CG1-CB 3.47Å; V127-L131 VanDerWaalsContact CG1-CB 3.47Å | ||
| 128 | S | 63.6 | Low | 68.6 | Low | 54 Ų | 54 | 108 Ų | 108 | 38% | 0.378 | 59% | 0.59 | S | S | . | * | trans | -55 | 148 | -176.5 | 61.2 | 0 | 0 | 0 | 0 | 108.9 | S126 F130 L131 S132 | S126-S128 PolarHBondContact O-N 2.84Å; S128-F130 CarbonylContact O-C 3.55Å; S128-F130 PolarHBondContact O-N 3.26Å; S128-L131 PolarHBondContact O-N 3.04Å; S128-S132 PolarHBondContact O-N 3.44Å | ||
| 129 | D | 61 | Low | 68 | Low | 145 Ų | 145 | 107.7 Ų | 107.7 | 78% | 0.775 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -48.5 | -29.6 | 178.9 | -74.7 | -35.4 | 0 | 0 | 0 | 111.7 | C133 | D129-C133 WeakPolarHBondContact O-CB 3.41Å; D129-C133 PolarHBondContact O-N 3.41Å |
| 130 | F | 61.5 | Low | 67.3 | Low | 92 Ų | 92 | 105.6 Ų | 105.6 | 40% | 0.404 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -66.7 | -50.1 | 174.3 | -174.3 | -109 | 0 | 0 | 0 | 113.9 | S128 S132 C133 I134 | S128-F130 CarbonylContact O-C 3.55Å; S128-F130 PolarHBondContact O-N 3.26Å; F130-S132 VanDerWaalsContact C-N 3.33Å; F130-C133 CarbonylContact O-C 3.56Å; F130-C133 WeakPolarHBondContact O-CB 3.47Å; F130-C133 PolarHBondContact O-N 2.81Å; F130-C133 VanDerWaalsContact O-N 3.16Å; F130-I134 HydrophobicContact CD1-CD1 3.7Å; F130-I134 HydrophobicContact CE1-CD1 3.2Å; F130-I134 HydrophobicContact CE1-CG1 4.25Å; F130-I134 HydrophobicContact CE2-CD1 4.2Å; F130-I134 HydrophobicContact CG-CD1 4.4Å; F130-I134 HydrophobicContact CZ-CD1 3.49Å; F130-I134 VanDerWaalsContact CZ-CD1 3.49Å; F130-I134 HydrophobicContact CZ-CG1 4.23Å; F130-I134 WeakPolarHBondContact O-CG1 3.09Å; F130-I134 PolarHBondContact O-N 3.16Å |
| 131 | L | 63.3 | Low | 66.3 | Low | 98 Ų | 98 | 106.3 Ų | 106.3 | 51% | 0.513 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -66.9 | -37.1 | 176.9 | -76.6 | 168.8 | 0 | 0 | 0 | 111.4 | V127 S128 C133 I134 Q135 | V127-L131 HydrophobicContact CG1-CB 3.47Å; V127-L131 VanDerWaalsContact CG1-CB 3.47Å; S128-L131 PolarHBondContact O-N 3.04Å; L131-C133 VanDerWaalsContact C-N 3.29Å; L131-C133 PolarHBondContact O-N 2.79Å; L131-I134 PolarHBondContact O-N 3.12Å; L131-Q135 WeakPolarHBondContact O-CB 3.36Å; L131-Q135 PolarHBondContact O-N 2.76Å |
| 132 | S | 62.9 | Low | 65.4 | Low | 30 Ų | 30 | 103.9 Ų | 103.9 | 21% | 0.21 | 56% | 0.564 | C | S | . | * | H | α-helix | trans | -62.4 | -39.4 | 171.3 | -176.4 | 0 | 0 | 0 | 0 | 111.3 | S128 F130 R136 | S128-S132 PolarHBondContact O-N 3.44Å; F130-S132 VanDerWaalsContact C-N 3.33Å; S132-R136 WeakPolarHBondContact O-CB 3.32Å; S132-R136 WeakPolarHBondContact O-CG 3.34Å; S132-R136 PolarHBondContact O-N 3.36Å; S132-R136 PolarHBondContact OG-NH1 3.43Å |
| 133 | C | 57.5 | Low | 64.5 | Low | 47 Ų | 47 | 97.3 Ų | 97.3 | 32% | 0.318 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -67.9 | -41.7 | 175.8 | -164.7 | 0 | 0 | 0 | 0 | 111.7 | D129 F130 L131 R136 L137 | D129-C133 WeakPolarHBondContact O-CB 3.41Å; D129-C133 PolarHBondContact O-N 3.41Å; F130-C133 CarbonylContact O-C 3.56Å; F130-C133 WeakPolarHBondContact O-CB 3.47Å; F130-C133 PolarHBondContact O-N 2.81Å; F130-C133 VanDerWaalsContact O-N 3.16Å; L131-C133 VanDerWaalsContact C-N 3.29Å; L131-C133 PolarHBondContact O-N 2.79Å; C133-R136 PolarHBondContact O-N 3.49Å; C133-L137 VanDerWaalsContact O-CB 3.32Å; C133-L137 WeakPolarHBondContact O-CB 3.38Å; C133-L137 VanDerWaalsContact O-CG 3.22Å; C133-L137 WeakPolarHBondContact O-CG 2.96Å; C133-L137 PolarHBondContact O-N 3.45Å |
| 134 | I | 65.6 | Low | 63.4 | Low | 73 Ų | 73 | 92.9 Ų | 92.9 | 37% | 0.374 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.2 | -45.2 | 175.1 | -71.3 | 171.9 | 0 | 0 | 0 | 110.7 | F130 L131 R136 L137 F138 | F130-I134 HydrophobicContact CD1-CD1 3.7Å; F130-I134 HydrophobicContact CE1-CD1 3.2Å; F130-I134 HydrophobicContact CE1-CG1 4.25Å; F130-I134 HydrophobicContact CE2-CD1 4.2Å; F130-I134 HydrophobicContact CG-CD1 4.4Å; F130-I134 HydrophobicContact CZ-CD1 3.49Å; F130-I134 VanDerWaalsContact CZ-CD1 3.49Å; F130-I134 HydrophobicContact CZ-CG1 4.23Å; F130-I134 WeakPolarHBondContact O-CG1 3.09Å; F130-I134 PolarHBondContact O-N 3.16Å; L131-I134 PolarHBondContact O-N 3.12Å; I134-R136 VanDerWaalsContact C-N 3.32Å; I134-R136 PolarHBondContact O-N 2.79Å; I134-L137 CarbonylContact O-C 3.57Å; I134-L137 WeakPolarHBondContact O-CB 2.84Å; I134-L137 PolarHBondContact O-N 2.94Å; I134-L137 VanDerWaalsContact O-N 3.12Å; I134-F138 WeakPolarHBondContact O-CB 3.08Å; I134-F138 PolarHBondContact O-N 3.21Å |
| 135 | Q | 67.1 | Low | 62.9 | Low | 128 Ų | 128 | 94.4 Ų | 94.4 | 60% | 0.598 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.7 | -41.9 | 178.1 | -169 | 169.9 | 10.2 | 0 | 0 | 111.1 | L131 F138 V139 | L131-Q135 WeakPolarHBondContact O-CB 3.36Å; L131-Q135 PolarHBondContact O-N 2.76Å; Q135-F138 PolarHBondContact O-N 2.93Å; Q135-V139 VanDerWaalsContact O-CG2 3.32Å; Q135-V139 WeakPolarHBondContact O-CG2 3.45Å; Q135-V139 PolarHBondContact O-N 3.02Å |
| 136 | R | 66.6 | Low | 62 | Low | 174 Ų | 174 | 100.2 Ų | 100.2 | 66% | 0.657 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.6 | -38.5 | 171.7 | -76.1 | -176 | -177.3 | 116.7 | 1 | 112.7 | S132 C133 I134 A140 | S132-R136 WeakPolarHBondContact O-CB 3.32Å; S132-R136 WeakPolarHBondContact O-CG 3.34Å; S132-R136 PolarHBondContact O-N 3.36Å; S132-R136 PolarHBondContact OG-NH1 3.43Å; C133-R136 PolarHBondContact O-N 3.49Å; I134-R136 VanDerWaalsContact C-N 3.32Å; I134-R136 PolarHBondContact O-N 2.79Å; R136-A140 WeakPolarHBondContact O-CB 3.44Å; R136-A140 PolarHBondContact O-N 3.09Å |
| 137 | L | 63.6 | Low | 61.2 | Low | 70 Ų | 70 | 99.7 Ų | 99.7 | 37% | 0.366 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.1 | -42.3 | 176.7 | -79.8 | 163.7 | 0 | 0 | 0 | 111 | C133 I134 A140 F141 | C133-L137 VanDerWaalsContact O-CB 3.32Å; C133-L137 WeakPolarHBondContact O-CB 3.38Å; C133-L137 VanDerWaalsContact O-CG 3.22Å; C133-L137 WeakPolarHBondContact O-CG 2.96Å; C133-L137 PolarHBondContact O-N 3.45Å; I134-L137 CarbonylContact O-C 3.57Å; I134-L137 WeakPolarHBondContact O-CB 2.84Å; I134-L137 PolarHBondContact O-N 2.94Å; I134-L137 VanDerWaalsContact O-N 3.12Å; L137-A140 CarbonylContact O-C 3.57Å; L137-A140 PolarHBondContact O-N 3.05Å; L137-F141 WeakPolarHBondContact O-CB 3.43Å; L137-F141 PolarHBondContact O-N 3.06Å |
| 138 | F | 63.6 | Low | 60.5 | Low | 142 Ų | 142 | 102 Ų | 102 | 62% | 0.623 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62 | -48.7 | 177.2 | -170.1 | -97.5 | 0 | 0 | 0 | 110.8 | I134 Q135 A140 F141 Q142 | I134-F138 WeakPolarHBondContact O-CB 3.08Å; I134-F138 PolarHBondContact O-N 3.21Å; Q135-F138 PolarHBondContact O-N 2.93Å; F138-A140 VanDerWaalsContact C-N 3.34Å; F138-A140 PolarHBondContact O-N 3.05Å; F138-F141 PolarHBondContact O-N 3.45Å; F138-Q142 WeakPolarHBondContact O-CB 3.36Å; F138-Q142 PolarHBondContact O-N 3.4Å |
| 139 | V | 66.7 | Low | 60 | Low | 76 Ų | 76 | 104.8 Ų | 104.8 | 46% | 0.461 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61 | -42.7 | 174.1 | 174.3 | 0 | 0 | 0 | 0 | 111 | Q135 F141 Q142 I143 | Q135-V139 VanDerWaalsContact O-CG2 3.32Å; Q135-V139 WeakPolarHBondContact O-CG2 3.45Å; Q135-V139 PolarHBondContact O-N 3.02Å; V139-F141 PolarHBondContact O-N 3.26Å; V139-Q142 PolarHBondContact O-N 3.21Å; V139-I143 HydrophobicContact CG1-CD1 3.57Å; V139-I143 WeakPolarHBondContact O-CB 3.47Å; V139-I143 VanDerWaalsContact O-CD1 3.25Å; V139-I143 WeakPolarHBondContact O-CD1 3.42Å; V139-I143 WeakPolarHBondContact O-CG1 3.23Å; V139-I143 PolarHBondContact O-N 3.03Å |
| 140 | A | 61.3 | Low | 59.1 | Low | 32 Ų | 32 | 108 Ų | 108 | 26% | 0.264 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -72.6 | -22.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | R136 L137 F138 R148 | R136-A140 WeakPolarHBondContact O-CB 3.44Å; R136-A140 PolarHBondContact O-N 3.09Å; L137-A140 CarbonylContact O-C 3.57Å; L137-A140 PolarHBondContact O-N 3.05Å; F138-A140 VanDerWaalsContact C-N 3.34Å; F138-A140 PolarHBondContact O-N 3.05Å; A140-R148 PolarHBondContact O-NH2 3.4Å |
| 141 | F | 61.3 | Low | 58.4 | Low | 164 Ų | 164 | 107.5 Ų | 107.5 | 72% | 0.719 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -80.8 | -31 | 172.8 | -123.4 | -92.4 | 0 | 0 | 0 | 111.5 | L137 F138 V139 I143 | L137-F141 WeakPolarHBondContact O-CB 3.43Å; L137-F141 PolarHBondContact O-N 3.06Å; F138-F141 PolarHBondContact O-N 3.45Å; V139-F141 PolarHBondContact O-N 3.26Å; F141-I143 PolarHBondContact O-N 3.08Å |
| 142 | Q | 62 | Low | 57.5 | Low | 133 Ų | 133 | 109 Ų | 109 | 62% | 0.621 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -75.1 | -15.2 | 174.5 | -151.6 | 92.7 | 17 | 0 | 0 | 112.7 | F138 V139 P144 | F138-Q142 WeakPolarHBondContact O-CB 3.36Å; F138-Q142 PolarHBondContact O-N 3.4Å; V139-Q142 PolarHBondContact O-N 3.21Å; Q142-P144 WeakPolarHBondContact O-CD 3.17Å |
| 143 | I | 56.4 | Low | 56.2 | Low | 25 Ų | 25 | 109.9 Ų | 109.9 | 13% | 0.128 | 55% | 0.547 | C | S | . | . | S | Bend | trans | -102.3 | 101 | -177.2 | -70.7 | 167.4 | 0 | 0 | 0 | 109.7 | V139 F141 Y147 R148 | V139-I143 HydrophobicContact CG1-CD1 3.57Å; V139-I143 WeakPolarHBondContact O-CB 3.47Å; V139-I143 VanDerWaalsContact O-CD1 3.25Å; V139-I143 WeakPolarHBondContact O-CD1 3.42Å; V139-I143 WeakPolarHBondContact O-CG1 3.23Å; V139-I143 PolarHBondContact O-N 3.03Å; F141-I143 PolarHBondContact O-N 3.08Å; I143-Y147 VanDerWaalsContact CA-CE2 3.5Å; I143-Y147 HydrophobicContact CB-CD2 3.86Å; I143-Y147 HydrophobicContact CB-CE2 4.03Å; I143-Y147 HydrophobicContact CG1-CD2 4.22Å; I143-Y147 HydrophobicContact CG1-CE2 4.46Å; I143-Y147 HydrophobicContact CG2-CD2 3.15Å; I143-Y147 HydrophobicContact CG2-CE2 3.78Å; I143-Y147 HydrophobicContact CG2-CG 3.97Å; I143-R148 HydrophobicContact CG2-CG 3.93Å |
| 144 | P | 52.5 | Low | 55.5 | Low | 68 Ų | 68 | 113.8 Ų | 113.8 | 44% | 0.442 | 57% | 0.571 | S | S | . | * | trans | -51.7 | 151.7 | 166.4 | -30.3 | 29 | 0 | 0 | 0 | 114 | Q142 E146 Y147 | Q142-P144 WeakPolarHBondContact O-CD 3.17Å; P144-E146 PolarHBondContact O-N 2.97Å; P144-Y147 HydrophobicContact CB-CE1 3.69Å; P144-Y147 HydrophobicContact CB-CE2 4.02Å; P144-Y147 WeakPolarHBondContact CB-OH 3.04Å; P144-Y147 WeakPolarHBondContact CD-OH 3.44Å; P144-Y147 HydrophobicContact CG-CE1 4.35Å; P144-Y147 HydrophobicContact CG-CE2 4.05Å; P144-Y147 VanDerWaalsContact CG-CZ 3.48Å; P144-Y147 WeakPolarHBondContact CG-OH 3.32Å; P144-Y147 VanDerWaalsContact N-CZ 3.33Å; P144-Y147 WeakPolarHBondContact O-CD1 3.49Å; P144-Y147 WeakPolarHBondContact O-CD2 3.06Å; P144-Y147 WeakPolarHBondContact O-CE1 3.48Å; P144-Y147 WeakPolarHBondContact O-CE2 3.45Å; P144-Y147 VanDerWaalsContact O-CG 3.31Å; P144-Y147 PolarHBondContact O-N 3.44Å | ||
| 145 | E | 58.4 | Low | 54.3 | Low | 166 Ų | 166 | 115 Ų | 115 | 78% | 0.776 | 59% | 0.586 | S | S | * | * | G | 310 helix | trans | -57.7 | -26.3 | -158.3 | -163.7 | 164.8 | -165.3 | 0 | 0 | 114.1 | Y147 | E145-Y147 PolarHBondContact O-N 2.8Å; E145-Y147 VanDerWaalsContact O-N 3.15Å |
| 146 | E | 53.4 | Low | 52.9 | Low | 184 Ų | 184 | 116.2 Ų | 116.2 | 86% | 0.86 | 60% | 0.597 | S | S | * | * | G | 310 helix | trans | -69.4 | -8.6 | -176 | -58.7 | -179.8 | -161.2 | 0 | 0 | 114.5 | P144 | P144-E146 PolarHBondContact O-N 2.97Š|
| 147 | Y | 51 | Low | 51.5 | Low | 105 Ų | 105 | 112.1 Ų | 112.1 | 41% | 0.412 | 60% | 0.6 | S | S | . | * | G | 310 helix | trans | -127.4 | 11.7 | -175.4 | 24 | -73.4 | 0 | 0 | 0 | 113.9 | I143 P144 E145 T149 | I143-Y147 VanDerWaalsContact CA-CE2 3.5Å; I143-Y147 HydrophobicContact CB-CD2 3.86Å; I143-Y147 HydrophobicContact CB-CE2 4.03Å; I143-Y147 HydrophobicContact CG1-CD2 4.22Å; I143-Y147 HydrophobicContact CG1-CE2 4.46Å; I143-Y147 HydrophobicContact CG2-CD2 3.15Å; I143-Y147 HydrophobicContact CG2-CE2 3.78Å; I143-Y147 HydrophobicContact CG2-CG 3.97Å; P144-Y147 HydrophobicContact CB-CE1 3.69Å; P144-Y147 HydrophobicContact CB-CE2 4.02Å; P144-Y147 WeakPolarHBondContact CB-OH 3.04Å; P144-Y147 WeakPolarHBondContact CD-OH 3.44Å; P144-Y147 HydrophobicContact CG-CE1 4.35Å; P144-Y147 HydrophobicContact CG-CE2 4.05Å; P144-Y147 VanDerWaalsContact CG-CZ 3.48Å; P144-Y147 WeakPolarHBondContact CG-OH 3.32Å; P144-Y147 VanDerWaalsContact N-CZ 3.33Å; P144-Y147 WeakPolarHBondContact O-CD1 3.49Å; P144-Y147 WeakPolarHBondContact O-CD2 3.06Å; P144-Y147 WeakPolarHBondContact O-CE1 3.48Å; P144-Y147 WeakPolarHBondContact O-CE2 3.45Å; P144-Y147 VanDerWaalsContact O-CG 3.31Å; P144-Y147 PolarHBondContact O-N 3.44Å; E145-Y147 PolarHBondContact O-N 2.8Å; E145-Y147 VanDerWaalsContact O-N 3.15Å; Y147-T149 PolarHBondContact O-N 2.92Å; Y147-T149 VanDerWaalsContact O-N 3.14Å |
| 148 | R | 51.7 | Low | 50.3 | Low | 136 Ų | 136 | 113.5 Ų | 113.5 | 51% | 0.513 | 62% | 0.622 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -70.1 | -2.6 | 177.4 | -78.7 | -170.1 | 174.8 | 179.6 | 0.7 | 115.1 | A140 I143 | A140-R148 PolarHBondContact O-NH2 3.4Å; I143-R148 HydrophobicContact CG2-CG 3.93Å |
| 149 | T | 52.7 | Low | 49.3 | Very low | 112 Ų | 112 | 114.3 Ų | 114.3 | 69% | 0.687 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | -10.1 | -176.2 | 34.9 | 0 | 0 | 0 | 0 | 114.8 | Y147 | Y147-T149 PolarHBondContact O-N 2.92Å; Y147-T149 VanDerWaalsContact O-N 3.14Å |
| 150 | W | 41.7 | Very low | 48.3 | Very low | 212 Ų | 212 | 120 Ų | 120 | 80% | 0.803 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -112.3 | 1.4 | -171.9 | -67.7 | -20 | 0 | 0 | 0 | 116.6 | ||
| 151 | S | 47.9 | Very low | 47.4 | Very low | 83 Ų | 83 | 127.8 Ų | 127.8 | 58% | 0.58 | 68% | 0.679 | S | S | * | * | trans | -99.3 | 8 | 179.8 | -10.2 | 0 | 0 | 0 | 0 | 114.9 | G153 | S151-G153 VanDerWaalsContact C-N 3.31Å; S151-G153 PolarHBondContact O-N 3.38Å | ||
| 152 | V | 44.4 | Very low | 46.6 | Very low | 130 Ų | 130 | 129.4 Ų | 129.4 | 79% | 0.788 | 69% | 0.686 | S | S | * | * | trans | -91.6 | 72.4 | 166.7 | -170.6 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 153 | G | 35 | Very low | 45.6 | Very low | 48 Ų | 48 | 134.7 Ų | 134.7 | 50% | 0.495 | 70% | 0.7 | S | S | . | * | trans | -53.6 | 135.6 | 162.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | S151 S155 | S151-G153 VanDerWaalsContact C-N 3.31Å; S151-G153 PolarHBondContact O-N 3.38Å; G153-S155 PolarHBondContact O-N 3.21Å | ||
| 154 | P | 42.8 | Very low | 44.8 | Very low | 128 Ų | 128 | 142.9 Ų | 142.9 | 83% | 0.831 | 74% | 0.735 | S | S | * | * | trans | -70.3 | 78.1 | -177.4 | 30 | -34.2 | 0 | 0 | 0 | 109.5 | N156 | P154-N156 PolarHBondContact O-N 3.44Š| ||
| 155 | S | 40.3 | Very low | 44.2 | Very low | 98 Ų | 98 | 151.5 Ų | 151.5 | 69% | 0.685 | 76% | 0.758 | S | S | * | * | trans | -69.6 | 114.7 | 164.6 | 67.2 | 0 | 0 | 0 | 0 | 107.4 | G153 | G153-S155 PolarHBondContact O-N 3.21Š| ||
| 156 | N | 37.3 | Very low | 43.1 | Very low | 155 Ų | 155 | 153.3 Ų | 153.3 | 83% | 0.829 | 76% | 0.764 | S | S | * | * | S | Bend | trans | 83.5 | 68.9 | 165.5 | -39.2 | -52.9 | 0 | 0 | 0 | 117.3 | P154 | P154-N156 PolarHBondContact O-N 3.44Š|
| 157 | A | 37.7 | Very low | 42.4 | Very low | 87 Ų | 87 | 152.5 Ų | 152.5 | 72% | 0.719 | 76% | 0.76 | S | S | * | * | trans | -155.7 | -7.8 | 156.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 158 | A | 38.5 | Very low | 41.7 | Very low | 99 Ų | 99 | 156.3 Ų | 156.3 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | G | 310 helix | trans | -83.3 | -15.9 | -172.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 159 | D | 43 | Very low | 40.9 | Very low | 159 Ų | 159 | 156.8 Ų | 156.8 | 85% | 0.85 | 79% | 0.794 | S | S | * | * | G | 310 helix | trans | -101.3 | 16.7 | -173.1 | -117.7 | -33.4 | 0 | 0 | 0 | 116.2 | ||
| 160 | K | 43.9 | Very low | 40.3 | Very low | 196 Ų | 196 | 158.6 Ų | 158.6 | 85% | 0.852 | 80% | 0.798 | S | S | * | * | G | 310 helix | trans | -111.6 | 2.3 | 172.5 | -80.6 | -175.9 | 177.2 | 178.4 | 0 | 114.7 | ||
| 161 | K | 44 | Very low | 40.3 | Very low | 195 Ų | 195 | 156.6 Ų | 156.6 | 85% | 0.848 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -98.6 | -1.5 | -177.8 | -141.9 | 172.7 | -177.8 | -179.8 | 0 | 114.7 | ||
| 162 | K | 43.4 | Very low | 39.8 | Very low | 199 Ų | 199 | 156.2 Ų | 156.2 | 87% | 0.865 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -102.2 | 4.4 | 179.2 | -141.5 | 175.2 | -177.4 | -179.5 | 0 | 115.5 | ||
| 163 | R | 41 | Very low | 39.6 | Very low | 244 Ų | 244 | 157.8 Ų | 157.8 | 92% | 0.921 | 82% | 0.815 | S | S | * | * | S | Bend | trans | -113.2 | 14.8 | 179.3 | -105.5 | -178.3 | 165.4 | -168.1 | -4.6 | 115.6 | ||
| 164 | K | 41 | Very low | 39.8 | Very low | 196 Ų | 196 | 164.4 Ų | 164.4 | 85% | 0.852 | 83% | 0.833 | S | S | * | * | S | Bend | trans | -115.4 | 16.5 | -177.6 | -119.9 | -173.8 | 179.2 | -166.9 | 0 | 115.8 | ||
| 165 | R | 40.2 | Very low | 39.6 | Very low | 250 Ų | 250 | 161.9 Ų | 161.9 | 94% | 0.943 | 83% | 0.83 | S | S | * | * | S | Bend | trans | -113.6 | 38.7 | 176.6 | -72.8 | -171.9 | 171.2 | 178.6 | -3.5 | 113.4 | ||
| 166 | K | 35.2 | Very low | 40.1 | Very low | 204 Ų | 204 | 162.8 Ų | 162.8 | 89% | 0.887 | 83% | 0.834 | S | S | * | * | S | Bend | trans | -144.9 | 58.9 | 174.8 | -152.1 | 178.9 | -172.9 | -175.2 | 0 | 110.3 | ||
| 167 | H | 37.9 | Very low | 40.8 | Very low | 167 Ų | 167 | 164.3 Ų | 164.3 | 77% | 0.773 | 84% | 0.836 | S | S | * | * | trans | -162.3 | 65 | 161.6 | -158.6 | -78.3 | 0 | 0 | 0 | 108.8 | ||||
| 168 | E | 36.8 | Very low | 41.5 | Very low | 185 Ų | 185 | 168.7 Ų | 168.7 | 86% | 0.864 | 84% | 0.842 | S | S | * | * | trans | -129.8 | 133.6 | 164.5 | -157.7 | 172.2 | 179.6 | 0 | 0 | 104.7 | ||||
| 169 | N | 34.4 | Very low | 42.4 | Very low | 145 Ų | 145 | 169.7 Ų | 169.7 | 78% | 0.775 | 83% | 0.833 | S | S | * | * | trans | 83.4 | 76.2 | -161 | -61 | -10.5 | 0 | 0 | 0 | 115.7 | ||||
| 170 | I | 40.7 | Very low | 43.1 | Very low | 151 Ų | 151 | 165.2 Ų | 165.2 | 77% | 0.774 | 82% | 0.818 | S | S | * | * | -145.2 | 112.4 | 121.4 | -60.4 | -167.6 | 0 | 0 | 0 | 106.6 | |||||
| 171 | L | 41.3 | Very low | 44 | Very low | 169 Ų | 169 | 161.7 Ų | 161.7 | 89% | 0.885 | 81% | 0.805 | S | S | * | * | trans | -71.9 | 154.5 | 167.8 | -74.5 | 150.1 | 0 | 0 | 0 | 110.2 | ||||
| 172 | G | 36.9 | Very low | 45.2 | Very low | 76 Ų | 76 | 158.8 Ų | 158.8 | 78% | 0.784 | 79% | 0.792 | S | S | * | * | trans | 112.7 | 125 | 178.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 173 | D | 40.4 | Very low | 46.1 | Very low | 162 Ų | 162 | 158.3 Ų | 158.3 | 87% | 0.866 | 79% | 0.785 | S | S | * | * | cis | -168.3 | 153.5 | 29.8 | -177.2 | 26.4 | 0 | 0 | 0 | 107.1 | ||||
| 174 | E | 38.5 | Very low | 47.4 | Very low | 188 Ų | 188 | 149.4 Ų | 149.4 | 88% | 0.879 | 76% | 0.764 | S | S | * | * | trans | -83.6 | 142.8 | -173.1 | -62.6 | -162 | 126.6 | 0 | 0 | 112.8 | ||||
| 175 | G | 40 | Very low | 48.9 | Very low | 74 Ų | 74 | 146.4 Ų | 146.4 | 76% | 0.763 | 75% | 0.751 | S | S | * | * | trans | 114 | 153.4 | 157.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 176 | P | 50.1 | Low | 50.3 | Low | 117 Ų | 117 | 143 Ų | 143 | 76% | 0.76 | 74% | 0.738 | S | S | * | * | cis | -120.4 | 166.4 | -32.6 | 31.9 | -13.6 | 0 | 0 | 0 | 112.4 | E178 | P176-E178 VanDerWaalsContact C-N 3.29Å; P176-E178 PolarHBondContact O-N 3.05Å | ||
| 177 | E | 52.3 | Low | 52 | Low | 188 Ų | 188 | 138.6 Ų | 138.6 | 88% | 0.879 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.8 | -2.3 | -161.1 | -127.4 | 174.4 | 157.9 | 0 | 0 | 118.7 | ||
| 178 | E | 53.2 | Low | 53.7 | Low | 179 Ų | 179 | 138.5 Ų | 138.5 | 84% | 0.836 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | -20 | -172.4 | -72.5 | -166.7 | 145.1 | 0 | 0 | 115 | P176 | P176-E178 VanDerWaalsContact C-N 3.29Å; P176-E178 PolarHBondContact O-N 3.05Å |
| 179 | D | 55.8 | Low | 55.6 | Low | 119 Ų | 119 | 137.5 Ų | 137.5 | 64% | 0.636 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -84.1 | -11.2 | -179.7 | -99.4 | -45.6 | 0 | 0 | 0 | 113.9 | R183 | D179-R183 WeakPolarHBondContact O-CB 3.39Å; D179-R183 PolarHBondContact O-N 3.29Å; D179-R183 VanDerWaalsContact O-N 3.11Å |
| 180 | A | 58.4 | Low | 57.5 | Low | 65 Ų | 65 | 135.1 Ų | 135.1 | 54% | 0.537 | 70% | 0.697 | S | S | . | * | H | α-helix | trans | -66.5 | -40.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | R183 A184 | A180-R183 PolarHBondContact O-N 3.22Å; A180-A184 WeakPolarHBondContact O-CB 3.43Å; A180-A184 PolarHBondContact O-N 3.47Å |
| 181 | E | 63.7 | Low | 59.2 | Low | 122 Ų | 122 | 134.5 Ų | 134.5 | 57% | 0.57 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -70.1 | -38.7 | -178 | -158.6 | -167.9 | 156 | 0 | 0 | 111.7 | R183 A184 K185 | E181-R183 VanDerWaalsContact C-N 3.33Å; E181-R183 PolarHBondContact O-N 3.4Å; E181-A184 PolarHBondContact O-N 3.19Å; E181-K185 WeakPolarHBondContact O-CG 3.35Å; E181-K185 PolarHBondContact O-N 2.99Å; E181-K185 WeakPolarHBondContact OE1-CE 3.26Å; E181-K185 IonicContact OE1-NZ 2.69Å; E181-K185 PolarHBondContact OE1-NZ 3.03Å |
| 182 | K | 68.2 | Low | 60.9 | Low | 134 Ų | 134 | 131.2 Ų | 131.2 | 58% | 0.583 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -67.7 | -35.4 | 177 | -144.6 | 172.8 | -169.6 | 172.5 | 0 | 111.1 | R186 | K182-R186 VanDerWaalsContact O-CG 3.32Å; K182-R186 WeakPolarHBondContact O-CG 3.03Å; K182-R186 PolarHBondContact O-N 2.94Å |
| 183 | R | 62.3 | Low | 62.8 | Low | 190 Ų | 190 | 135.8 Ų | 135.8 | 72% | 0.717 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -71 | -40.7 | 174.9 | -149.1 | 173.7 | -170.4 | -171.8 | 4.4 | 111.9 | D179 A180 E181 R186 L187 | D179-R183 WeakPolarHBondContact O-CB 3.39Å; D179-R183 PolarHBondContact O-N 3.29Å; D179-R183 VanDerWaalsContact O-N 3.11Å; A180-R183 PolarHBondContact O-N 3.22Å; E181-R183 VanDerWaalsContact C-N 3.33Å; E181-R183 PolarHBondContact O-N 3.4Å; R183-R186 PolarHBondContact O-N 2.93Å; R183-L187 WeakPolarHBondContact O-CG 3.22Å; R183-L187 PolarHBondContact O-N 3.01Å |
| 184 | A | 69.3 | Low | 64.5 | Low | 57 Ų | 57 | 135.5 Ų | 135.5 | 47% | 0.471 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -63.8 | -43.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | A180 E181 R186 L187 K188 | A180-A184 WeakPolarHBondContact O-CB 3.43Å; A180-A184 PolarHBondContact O-N 3.47Å; E181-A184 PolarHBondContact O-N 3.19Å; A184-R186 VanDerWaalsContact C-N 3.32Å; A184-R186 PolarHBondContact O-N 2.97Å; A184-L187 PolarHBondContact O-N 3.19Å; A184-K188 PolarHBondContact O-N 3.32Å |
| 185 | K | 71.5 | Confident | 66.4 | Low | 133 Ų | 133 | 131 Ų | 131 | 58% | 0.578 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -61.9 | -37.2 | 174.9 | -76.3 | 176.4 | -175.7 | 164 | 0 | 112.4 | E181 K189 | E181-K185 WeakPolarHBondContact O-CG 3.35Å; E181-K185 PolarHBondContact O-N 2.99Å; E181-K185 WeakPolarHBondContact OE1-CE 3.26Å; E181-K185 IonicContact OE1-NZ 2.69Å; E181-K185 PolarHBondContact OE1-NZ 3.03Å; K185-K189 WeakPolarHBondContact O-CB 3.45Å; K185-K189 PolarHBondContact O-N 3.03Å |
| 186 | R | 69.6 | Low | 68.1 | Low | 179 Ų | 179 | 133.7 Ų | 133.7 | 68% | 0.675 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -67 | -42.9 | 175.5 | -75.9 | 176.3 | 178.5 | -171 | 1 | 112.4 | K182 R183 A184 K189 E190 | K182-R186 VanDerWaalsContact O-CG 3.32Å; K182-R186 WeakPolarHBondContact O-CG 3.03Å; K182-R186 PolarHBondContact O-N 2.94Å; R183-R186 PolarHBondContact O-N 2.93Å; A184-R186 VanDerWaalsContact C-N 3.32Å; A184-R186 PolarHBondContact O-N 2.97Å; R186-K189 PolarHBondContact O-N 3.44Å; R186-E190 PolarHBondContact O-N 3.2Å |
| 187 | L | 71.8 | Confident | 69.3 | Low | 111 Ų | 111 | 134.5 Ų | 134.5 | 58% | 0.581 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -63.8 | -43.6 | 177.7 | -72 | 169.6 | 0 | 0 | 0 | 112 | R183 A184 K189 E190 E191 | R183-L187 WeakPolarHBondContact O-CG 3.22Å; R183-L187 PolarHBondContact O-N 3.01Å; A184-L187 PolarHBondContact O-N 3.19Å; L187-K189 PolarHBondContact O-N 3.1Å; L187-E190 PolarHBondContact O-N 3.22Å; L187-E191 PolarHBondContact O-N 2.66Å |
| 188 | K | 73.8 | Confident | 70.5 | Confident | 165 Ų | 165 | 133 Ų | 133 | 72% | 0.717 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -62.8 | -40.2 | 177.8 | -158.9 | 173 | -174.9 | 177.3 | 0 | 112.2 | A184 E190 E191 E192 | A184-K188 PolarHBondContact O-N 3.32Å; K188-E190 VanDerWaalsContact C-N 3.35Å; K188-E190 PolarHBondContact O-N 2.85Å; K188-E191 PolarHBondContact O-N 3.38Å; K188-E192 PolarHBondContact O-N 2.99Å |
| 189 | K | 75 | Confident | 71.5 | Confident | 163 Ų | 163 | 130.9 Ų | 130.9 | 71% | 0.709 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -67.4 | -32.4 | 175.6 | -168 | 172.9 | -176.5 | 174.6 | 0 | 112.7 | K185 R186 L187 R193 | K185-K189 WeakPolarHBondContact O-CB 3.45Å; K185-K189 PolarHBondContact O-N 3.03Å; R186-K189 PolarHBondContact O-N 3.44Å; L187-K189 PolarHBondContact O-N 3.1Å; K189-R193 PolarHBondContact O-N 3.28Å |
| 190 | E | 75.8 | Confident | 72.5 | Confident | 95 Ų | 95 | 132.4 Ų | 132.4 | 44% | 0.444 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -73.2 | -38.9 | 176.6 | -166.1 | 179.2 | 164.2 | 0 | 0 | 112.3 | R186 L187 K188 R193 R194 | R186-E190 PolarHBondContact O-N 3.2Å; L187-E190 PolarHBondContact O-N 3.22Å; K188-E190 VanDerWaalsContact C-N 3.35Å; K188-E190 PolarHBondContact O-N 2.85Å; E190-R193 PolarHBondContact O-N 3.06Å; E190-R194 WeakPolarHBondContact O-CG 3.24Å; E190-R194 PolarHBondContact O-N 3.03Å; E190-R194 IonicContact OE1-CZ 3.35Å; E190-R194 IonicContact OE1-NE 3.31Å; E190-R194 PolarHBondContact OE1-NE 3Å; E190-R194 IonicContact OE1-NH2 2.65Å; E190-R194 PolarHBondContact OE1-NH2 3.04Å |
| 191 | E | 74.6 | Confident | 73.3 | Confident | 138 Ų | 138 | 135.5 Ų | 135.5 | 65% | 0.645 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -63.8 | -45.4 | 177.4 | -171.1 | 165.9 | -156.6 | 0 | 0 | 112.2 | L187 K188 R193 R194 E195 | L187-E191 PolarHBondContact O-N 2.66Å; K188-E191 PolarHBondContact O-N 3.38Å; E191-R193 VanDerWaalsContact C-N 3.29Å; E191-R193 PolarHBondContact O-N 3.23Å; E191-R194 WeakPolarHBondContact O-CB 3.4Å; E191-R194 PolarHBondContact O-N 2.86Å; E191-R194 VanDerWaalsContact O-N 3.07Å; E191-E195 PolarHBondContact O-N 3.01Å |
| 192 | E | 78.4 | Confident | 73.8 | Confident | 101 Ų | 101 | 133.5 Ų | 133.5 | 47% | 0.472 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -60.8 | -38.4 | 176.6 | -162.2 | -163 | 149 | 0 | 0 | 111.9 | K188 E195 K196 | K188-E192 PolarHBondContact O-N 2.99Å; E192-E195 PolarHBondContact O-N 3.43Å; E192-K196 WeakPolarHBondContact O-CG 3.43Å; E192-K196 PolarHBondContact O-N 3.35Å; E192-K196 VanDerWaalsContact OE1-CE 3.31Å; E192-K196 WeakPolarHBondContact OE1-CE 3.4Å; E192-K196 IonicContact OE1-NZ 2.65Å; E192-K196 PolarHBondContact OE1-NZ 3.36Å |
| 193 | R | 77.3 | Confident | 74.1 | Confident | 171 Ų | 171 | 134.7 Ų | 134.7 | 65% | 0.645 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -68.5 | -34.8 | 176.4 | -166 | 177.7 | 171.8 | -159.6 | -1.2 | 111.7 | K189 E190 E191 K197 | K189-R193 PolarHBondContact O-N 3.28Å; E190-R193 PolarHBondContact O-N 3.06Å; E191-R193 VanDerWaalsContact C-N 3.29Å; E191-R193 PolarHBondContact O-N 3.23Å; R193-K197 WeakPolarHBondContact O-CG 3.13Å; R193-K197 PolarHBondContact O-N 2.86Å |
| 194 | R | 76.1 | Confident | 74.6 | Confident | 156 Ų | 156 | 132.9 Ų | 132.9 | 59% | 0.589 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -69 | -39.3 | 173.7 | -72 | 174.5 | -178.4 | -162.3 | 2 | 111.2 | E190 E191 K197 K198 | E190-R194 WeakPolarHBondContact O-CG 3.24Å; E190-R194 PolarHBondContact O-N 3.03Å; E190-R194 IonicContact OE1-CZ 3.35Å; E190-R194 IonicContact OE1-NE 3.31Å; E190-R194 PolarHBondContact OE1-NE 3Å; E190-R194 IonicContact OE1-NH2 2.65Å; E190-R194 PolarHBondContact OE1-NH2 3.04Å; E191-R194 WeakPolarHBondContact O-CB 3.4Å; E191-R194 PolarHBondContact O-N 2.86Å; E191-R194 VanDerWaalsContact O-N 3.07Å; R194-K197 PolarHBondContact O-N 3.38Å; R194-K198 WeakPolarHBondContact O-CG 3.46Å; R194-K198 PolarHBondContact O-N 2.69Å |
| 195 | E | 77 | Confident | 74.5 | Confident | 94 Ų | 94 | 137.6 Ų | 137.6 | 44% | 0.439 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -67.9 | -43.8 | 177.8 | -157.5 | -169.9 | 148.3 | 0 | 0 | 112.3 | E191 E192 K197 K198 K199 | E191-E195 PolarHBondContact O-N 3.01Å; E192-E195 PolarHBondContact O-N 3.43Å; E195-K197 VanDerWaalsContact C-N 3.3Å; E195-K197 PolarHBondContact O-N 3.35Å; E195-K198 PolarHBondContact O-N 2.71Å; E195-K198 VanDerWaalsContact O-N 3.13Å; E195-K199 PolarHBondContact O-N 3.05Å; E195-K199 WeakPolarHBondContact OE1-CE 3.38Å; E195-K199 IonicContact OE1-NZ 2.74Å; E195-K199 PolarHBondContact OE1-NZ 3.47Å |
| 196 | K | 75.3 | Confident | 74.5 | Confident | 130 Ų | 130 | 137.5 Ų | 137.5 | 57% | 0.565 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -58.2 | -40.2 | 172.6 | -77.1 | 172.5 | 171.3 | 165.9 | 0 | 112 | E192 K200 | E192-K196 WeakPolarHBondContact O-CG 3.43Å; E192-K196 PolarHBondContact O-N 3.35Å; E192-K196 VanDerWaalsContact OE1-CE 3.31Å; E192-K196 WeakPolarHBondContact OE1-CE 3.4Å; E192-K196 IonicContact OE1-NZ 2.65Å; E192-K196 PolarHBondContact OE1-NZ 3.36Å; K196-K200 PolarHBondContact O-N 3.44Å; K196-K200 VanDerWaalsContact O-N 3.13Å |
| 197 | K | 76 | Confident | 74.4 | Confident | 135 Ų | 135 | 133.5 Ų | 133.5 | 59% | 0.587 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -65.9 | -40.4 | 174.2 | -78 | -179.1 | 178.7 | -176.4 | 0 | 112.6 | R193 R194 E195 K200 K201 | R193-K197 WeakPolarHBondContact O-CG 3.13Å; R193-K197 PolarHBondContact O-N 2.86Å; R194-K197 PolarHBondContact O-N 3.38Å; E195-K197 VanDerWaalsContact C-N 3.3Å; E195-K197 PolarHBondContact O-N 3.35Å; K197-K200 PolarHBondContact O-N 3.21Å; K197-K201 PolarHBondContact O-N 3.25Å; K197-K201 VanDerWaalsContact O-N 3.08Å |
| 198 | K | 76.9 | Confident | 74.2 | Confident | 156 Ų | 156 | 134.1 Ų | 134.1 | 68% | 0.678 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -62.1 | -47.8 | 175 | -76 | 179.5 | 178.9 | 178.4 | 0 | 111.3 | R194 E195 K200 K201 D202 | R194-K198 WeakPolarHBondContact O-CG 3.46Å; R194-K198 PolarHBondContact O-N 2.69Å; E195-K198 PolarHBondContact O-N 2.71Å; E195-K198 VanDerWaalsContact O-N 3.13Å; K198-K200 VanDerWaalsContact C-N 3.35Å; K198-K200 PolarHBondContact O-N 2.93Å; K198-K201 PolarHBondContact O-N 3.37Å; K198-D202 WeakPolarHBondContact O-CB 3.48Å; K198-D202 PolarHBondContact O-N 2.76Å |
| 199 | K | 75.7 | Confident | 73.8 | Confident | 135 Ų | 135 | 129.9 Ų | 129.9 | 59% | 0.587 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -59 | -40.8 | 177.3 | -72 | 177.7 | -177.4 | 165.8 | 0 | 112.5 | E195 D202 K203 | E195-K199 PolarHBondContact O-N 3.05Å; E195-K199 WeakPolarHBondContact OE1-CE 3.38Å; E195-K199 IonicContact OE1-NZ 2.74Å; E195-K199 PolarHBondContact OE1-NZ 3.47Å; K199-D202 PolarHBondContact O-N 3.11Å; K199-K203 PolarHBondContact O-N 3.02Å |
| 200 | K | 76.7 | Confident | 73.4 | Confident | 151 Ų | 151 | 129.6 Ų | 129.6 | 66% | 0.657 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -67.6 | -38.3 | 176.2 | -166.3 | 172.4 | -176.1 | 174.9 | 0 | 112.9 | K196 K197 K198 D202 K204 | K196-K200 PolarHBondContact O-N 3.44Å; K196-K200 VanDerWaalsContact O-N 3.13Å; K197-K200 PolarHBondContact O-N 3.21Å; K198-K200 VanDerWaalsContact C-N 3.35Å; K198-K200 PolarHBondContact O-N 2.93Å; K200-D202 VanDerWaalsContact C-N 3.35Å; K200-K204 PolarHBondContact O-N 3.11Å |
| 201 | K | 75.4 | Confident | 73.3 | Confident | 130 Ų | 130 | 129.5 Ų | 129.5 | 57% | 0.565 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -66.9 | -37.7 | 175.8 | -166.9 | 178.2 | -178.7 | 179.4 | 0 | 111.3 | K197 K198 K204 R205 | K197-K201 PolarHBondContact O-N 3.25Å; K197-K201 VanDerWaalsContact O-N 3.08Å; K198-K201 PolarHBondContact O-N 3.37Å; K201-K204 PolarHBondContact O-N 3.3Å; K201-R205 WeakPolarHBondContact O-CG 3.45Å; K201-R205 PolarHBondContact O-N 3.3Å |
| 202 | D | 72.3 | Confident | 73.1 | Confident | 80 Ų | 80 | 123.9 Ų | 123.9 | 43% | 0.428 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -71.4 | -39.3 | -179.5 | -153.4 | 43.4 | 0 | 0 | 0 | 112.4 | K198 K199 K200 K204 R205 K206 | K198-D202 WeakPolarHBondContact O-CB 3.48Å; K198-D202 PolarHBondContact O-N 2.76Å; K199-D202 PolarHBondContact O-N 3.11Å; K200-D202 VanDerWaalsContact C-N 3.35Å; D202-K204 VanDerWaalsContact C-N 3.33Å; D202-K204 PolarHBondContact O-N 3.09Å; D202-R205 PolarHBondContact O-N 3.07Å; D202-R205 VanDerWaalsContact O-N 3.17Å; D202-K206 WeakPolarHBondContact O-CG 3.49Å; D202-K206 PolarHBondContact O-N 2.9Å; D202-K206 IonicContact OD2-NZ 3.85Å |
| 203 | K | 76 | Confident | 72.8 | Confident | 159 Ų | 159 | 122.6 Ų | 122.6 | 69% | 0.691 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -60 | -41.1 | 171.6 | -162.7 | 171.4 | -175.8 | 176.9 | 0 | 111.9 | K199 K206 V207 | K199-K203 PolarHBondContact O-N 3.02Å; K203-K206 PolarHBondContact O-N 3.35Å; K203-V207 WeakPolarHBondContact O-CG2 3.22Å; K203-V207 PolarHBondContact O-N 3.11Å |
| 204 | K | 71.9 | Confident | 72.6 | Confident | 151 Ų | 151 | 119.7 Ų | 119.7 | 66% | 0.657 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -64.7 | -39 | 174.2 | -74.7 | -171.1 | 175.4 | -167.2 | 0 | 112.7 | K200 K201 D202 V207 H208 | K200-K204 PolarHBondContact O-N 3.11Å; K201-K204 PolarHBondContact O-N 3.3Å; D202-K204 VanDerWaalsContact C-N 3.33Å; D202-K204 PolarHBondContact O-N 3.09Å; K204-V207 PolarHBondContact O-N 3.18Å; K204-H208 WeakPolarHBondContact O-CB 3.33Å; K204-H208 PolarHBondContact O-N 3.05Å |
| 205 | R | 67.3 | Low | 72.6 | Confident | 156 Ų | 156 | 117.5 Ų | 117.5 | 59% | 0.589 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -66.1 | -40.5 | 176.9 | -75.2 | 178.2 | 175.4 | -121.6 | -9 | 112.3 | K201 D202 V207 H208 C209 | K201-R205 WeakPolarHBondContact O-CG 3.45Å; K201-R205 PolarHBondContact O-N 3.3Å; D202-R205 PolarHBondContact O-N 3.07Å; D202-R205 VanDerWaalsContact O-N 3.17Å; R205-V207 PolarHBondContact O-N 3.1Å; R205-H208 PolarHBondContact O-N 3.19Å; R205-C209 VanDerWaalsContact O-CB 3.25Å; R205-C209 WeakPolarHBondContact O-CB 3.4Å; R205-C209 PolarHBondContact O-N 3.39Å |
| 206 | K | 71.6 | Confident | 72.4 | Confident | 131 Ų | 131 | 115 Ų | 115 | 57% | 0.57 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -62.4 | -40.9 | 175.4 | -71.2 | 178.9 | -176.6 | -179.5 | 0 | 112.1 | D202 K203 K210 | D202-K206 WeakPolarHBondContact O-CG 3.49Å; D202-K206 PolarHBondContact O-N 2.9Å; D202-K206 IonicContact OD2-NZ 3.85Å; K203-K206 PolarHBondContact O-N 3.35Å; K206-K210 WeakPolarHBondContact O-CG 3.41Å; K206-K210 PolarHBondContact O-N 3.45Å |
| 207 | V | 68.5 | Low | 72.5 | Confident | 96 Ų | 96 | 113.5 Ų | 113.5 | 58% | 0.582 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -66.1 | -46.2 | 175.5 | 175.9 | 0 | 0 | 0 | 0 | 111.3 | K203 K204 R205 C209 K210 L211 | K203-V207 WeakPolarHBondContact O-CG2 3.22Å; K203-V207 PolarHBondContact O-N 3.11Å; K204-V207 PolarHBondContact O-N 3.18Å; R205-V207 PolarHBondContact O-N 3.1Å; V207-C209 VanDerWaalsContact C-N 3.33Å; V207-C209 PolarHBondContact O-N 3.35Å; V207-K210 PolarHBondContact O-N 3.38Å; V207-L211 PolarHBondContact O-N 3.36Å |
| 208 | H | 66.5 | Low | 72.6 | Confident | 124 Ų | 124 | 109 Ų | 109 | 57% | 0.574 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -62.2 | -41.1 | 177.9 | -172 | 68.3 | 0 | 0 | 0 | 112 | K204 R205 L211 C212 | K204-H208 WeakPolarHBondContact O-CB 3.33Å; K204-H208 PolarHBondContact O-N 3.05Å; R205-H208 PolarHBondContact O-N 3.19Å; H208-L211 PolarHBondContact O-N 2.99Å; H208-C212 WeakPolarHBondContact O-CB 3.49Å; H208-C212 PolarHBondContact O-N 2.93Å; H208-C212 PolarHBondContact O-SG 3.44Å; H208-C212 VanDerWaalsContact O-SG 3.33Å |
| 209 | C | 65.5 | Low | 72.6 | Confident | 76 Ų | 76 | 108.7 Ų | 108.7 | 51% | 0.514 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.3 | -45 | 177.3 | -169.9 | 0 | 0 | 0 | 0 | 111.8 | R205 V207 L211 C212 V213 | R205-C209 VanDerWaalsContact O-CB 3.25Å; R205-C209 WeakPolarHBondContact O-CB 3.4Å; R205-C209 PolarHBondContact O-N 3.39Å; V207-C209 VanDerWaalsContact C-N 3.33Å; V207-C209 PolarHBondContact O-N 3.35Å; C209-L211 VanDerWaalsContact C-N 3.35Å; C209-L211 PolarHBondContact O-N 2.92Å; C209-C212 PolarHBondContact O-N 3.23Å; C209-V213 VanDerWaalsContact O-CG2 3.32Å; C209-V213 WeakPolarHBondContact O-CG2 3.48Å; C209-V213 PolarHBondContact O-N 2.88Å |
| 210 | K | 67.6 | Low | 72.6 | Confident | 156 Ų | 156 | 107 Ų | 107 | 68% | 0.678 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -60 | -42.6 | 175 | -74.5 | -175.9 | 178.4 | -170.2 | 0 | 112.4 | K206 V207 V213 L214 | K206-K210 WeakPolarHBondContact O-CG 3.41Å; K206-K210 PolarHBondContact O-N 3.45Å; V207-K210 PolarHBondContact O-N 3.38Å; K210-V213 PolarHBondContact O-N 2.72Å; K210-L214 PolarHBondContact O-N 3.4Å; K210-L214 VanDerWaalsContact O-N 3.09Å |
| 211 | L | 72.1 | Confident | 72.6 | Confident | 93 Ų | 93 | 105.9 Ų | 105.9 | 49% | 0.487 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67.1 | -38.1 | 178.4 | -171.4 | 65.8 | 0 | 0 | 0 | 112.3 | V207 H208 C209 K215 | V207-L211 PolarHBondContact O-N 3.36Å; H208-L211 PolarHBondContact O-N 2.99Å; C209-L211 VanDerWaalsContact C-N 3.35Å; C209-L211 PolarHBondContact O-N 2.92Å; L211-K215 PolarHBondContact O-N 2.92Å; L211-K215 VanDerWaalsContact O-N 3.11Å |
| 212 | C | 71.3 | Confident | 72.6 | Confident | 21 Ų | 21 | 104.4 Ų | 104.4 | 14% | 0.142 | 52% | 0.519 | C | S | . | . | H | α-helix | trans | -65.2 | -42 | 174.7 | -74.4 | 0 | 0 | 0 | 0 | 112.2 | H208 C209 K215 A216 | H208-C212 WeakPolarHBondContact O-CB 3.49Å; H208-C212 PolarHBondContact O-N 2.93Å; H208-C212 PolarHBondContact O-SG 3.44Å; H208-C212 VanDerWaalsContact O-SG 3.33Å; C209-C212 PolarHBondContact O-N 3.23Å; C212-K215 PolarHBondContact O-N 3.38Å; C212-A216 WeakPolarHBondContact O-CB 3.32Å; C212-A216 PolarHBondContact O-N 3.26Å |
| 213 | V | 71.4 | Confident | 72.7 | Confident | 74 Ų | 74 | 107.1 Ų | 107.1 | 45% | 0.448 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.1 | -44.5 | 177.8 | 172.2 | 0 | 0 | 0 | 0 | 111.2 | C209 K210 K215 A216 I217 | C209-V213 VanDerWaalsContact O-CG2 3.32Å; C209-V213 WeakPolarHBondContact O-CG2 3.48Å; C209-V213 PolarHBondContact O-N 2.88Å; K210-V213 PolarHBondContact O-N 2.72Å; V213-K215 PolarHBondContact O-N 2.76Å; V213-A216 PolarHBondContact O-N 3.42Å; V213-I217 HydrophobicContact CG1-CD1 3.87Å; V213-I217 HydrophobicContact CG1-CG1 4.48Å; V213-I217 WeakPolarHBondContact O-CG1 3.41Å; V213-I217 PolarHBondContact O-N 3.15Å |
| 214 | L | 74 | Confident | 72.6 | Confident | 109 Ų | 109 | 103 Ų | 103 | 57% | 0.571 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.6 | -41.8 | 176.7 | -77.5 | 162.6 | 0 | 0 | 0 | 112.4 | K210 I217 G218 | K210-L214 PolarHBondContact O-N 3.4Å; K210-L214 VanDerWaalsContact O-N 3.09Å; L214-I217 PolarHBondContact O-N 3.2Å; L214-G218 PolarHBondContact O-N 3.32Å |
| 215 | K | 76.4 | Confident | 72.6 | Confident | 110 Ų | 110 | 99.7 Ų | 99.7 | 48% | 0.478 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.3 | -45.4 | 173.7 | -79.6 | -177.7 | 173.6 | 178 | 0 | 111.5 | L211 C212 V213 I217 G218 Y219 | L211-K215 PolarHBondContact O-N 2.92Å; L211-K215 VanDerWaalsContact O-N 3.11Å; C212-K215 PolarHBondContact O-N 3.38Å; V213-K215 PolarHBondContact O-N 2.76Å; K215-I217 VanDerWaalsContact C-N 3.34Å; K215-I217 PolarHBondContact O-N 3.27Å; K215-G218 PolarHBondContact O-N 3.39Å; K215-Y219 HydrophobicContact CB-CD2 4.48Å; K215-Y219 HydrophobicContact CB-CE2 4.33Å; K215-Y219 WeakPolarHBondContact O-CD2 3.39Å; K215-Y219 PolarHBondContact O-N 2.98Å |
| 216 | A | 72.4 | Confident | 72.7 | Confident | 43 Ų | 43 | 98 Ų | 98 | 36% | 0.355 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.6 | -42 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | C212 V213 Y219 L220 | C212-A216 WeakPolarHBondContact O-CB 3.32Å; C212-A216 PolarHBondContact O-N 3.26Å; V213-A216 PolarHBondContact O-N 3.42Å; A216-Y219 PolarHBondContact O-N 3.26Å; A216-L220 WeakPolarHBondContact O-CB 3.42Å; A216-L220 PolarHBondContact O-N 2.94Å |
| 217 | I | 77.7 | Confident | 72.8 | Confident | 98 Ų | 98 | 98.8 Ų | 98.8 | 50% | 0.503 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.7 | -44.5 | 174.9 | -66.2 | 165.9 | 0 | 0 | 0 | 110.7 | V213 L214 K215 Y219 L220 H221 | V213-I217 HydrophobicContact CG1-CD1 3.87Å; V213-I217 HydrophobicContact CG1-CG1 4.48Å; V213-I217 WeakPolarHBondContact O-CG1 3.41Å; V213-I217 PolarHBondContact O-N 3.15Å; L214-I217 PolarHBondContact O-N 3.2Å; K215-I217 VanDerWaalsContact C-N 3.34Å; K215-I217 PolarHBondContact O-N 3.27Å; I217-Y219 PolarHBondContact O-N 3.47Å; I217-L220 PolarHBondContact O-N 3.48Å; I217-H221 PolarHBondContact O-N 3.45Å |
| 218 | G | 77.6 | Confident | 72.7 | Confident | 41 Ų | 41 | 100.8 Ų | 100.8 | 42% | 0.423 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.7 | -43.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L214 K215 H221 L222 | L214-G218 PolarHBondContact O-N 3.32Å; K215-G218 PolarHBondContact O-N 3.39Å; G218-H221 PolarHBondContact O-N 2.9Å; G218-L222 WeakPolarHBondContact O-CB 3.31Å; G218-L222 PolarHBondContact O-N 2.94Å |
| 219 | Y | 77.8 | Confident | 72.7 | Confident | 148 Ų | 148 | 97.2 Ų | 97.2 | 58% | 0.58 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -65.7 | -38.6 | 175 | -76.2 | -68 | 0 | 0 | 0 | 112.5 | K215 A216 I217 H221 L222 F223 | K215-Y219 HydrophobicContact CB-CD2 4.48Å; K215-Y219 HydrophobicContact CB-CE2 4.33Å; K215-Y219 WeakPolarHBondContact O-CD2 3.39Å; K215-Y219 PolarHBondContact O-N 2.98Å; A216-Y219 PolarHBondContact O-N 3.26Å; I217-Y219 PolarHBondContact O-N 3.47Å; Y219-H221 VanDerWaalsContact C-N 3.34Å; Y219-L222 PolarHBondContact O-N 3.33Å; Y219-F223 VanDerWaalsContact O-CB 3.22Å; Y219-F223 WeakPolarHBondContact O-CB 3.42Å; Y219-F223 PolarHBondContact O-N 3.32Å |
| 220 | L | 75.5 | Confident | 72.4 | Confident | 101 Ų | 101 | 100.8 Ų | 100.8 | 53% | 0.529 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.8 | -41.5 | 178.3 | -161.9 | 72.7 | 0 | 0 | 0 | 111.1 | A216 I217 F223 T224 | A216-L220 WeakPolarHBondContact O-CB 3.42Å; A216-L220 PolarHBondContact O-N 2.94Å; I217-L220 PolarHBondContact O-N 3.48Å; L220-F223 PolarHBondContact O-N 2.86Å; L220-T224 WeakPolarHBondContact O-CG2 3.14Å; L220-T224 PolarHBondContact O-N 3.11Å; L220-T224 PolarHBondContact O-OG1 3.21Å |
| 221 | H | 75.4 | Confident | 72 | Confident | 127 Ų | 127 | 98.6 Ų | 98.6 | 59% | 0.588 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -67.5 | -39.5 | 177 | -130.7 | -84.7 | 0 | 0 | 0 | 112.3 | I217 G218 Y219 F223 T224 F225 | I217-H221 PolarHBondContact O-N 3.45Å; G218-H221 PolarHBondContact O-N 2.9Å; Y219-H221 VanDerWaalsContact C-N 3.34Å; H221-F223 VanDerWaalsContact C-N 3.32Å; H221-T224 WeakPolarHBondContact CA-OG1 3.49Å; H221-T224 PolarHBondContact O-OG1 3.02Å; H221-T224 VanDerWaalsContact O-OG1 3.04Å; H221-F225 WeakPolarHBondContact O-CB 3.25Å; H221-F225 PolarHBondContact O-N 3.41Å |
| 222 | L | 76.2 | Confident | 71 | Confident | 98 Ų | 98 | 102.3 Ų | 102.3 | 51% | 0.513 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.3 | -38.2 | 175 | -167.7 | 69.2 | 0 | 0 | 0 | 111.3 | G218 Y219 F226 | G218-L222 WeakPolarHBondContact O-CB 3.31Å; G218-L222 PolarHBondContact O-N 2.94Å; Y219-L222 PolarHBondContact O-N 3.33Å; L222-F226 HydrophobicContact CG-CD2 4.43Å; L222-F226 WeakPolarHBondContact O-CB 3.47Å; L222-F226 PolarHBondContact O-N 3.17Å |
| 223 | F | 74.1 | Confident | 70.2 | Confident | 137 Ų | 137 | 106.8 Ų | 106.8 | 60% | 0.601 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -70.8 | -44.6 | 178.9 | -171.1 | -95.9 | 0 | 0 | 0 | 112.4 | Y219 L220 H221 F225 F226 K227 | Y219-F223 VanDerWaalsContact O-CB 3.22Å; Y219-F223 WeakPolarHBondContact O-CB 3.42Å; Y219-F223 PolarHBondContact O-N 3.32Å; L220-F223 PolarHBondContact O-N 2.86Å; H221-F223 VanDerWaalsContact C-N 3.32Å; F223-F225 VanDerWaalsContact C-N 3.28Å; F223-F225 PolarHBondContact O-N 2.9Å; F223-F226 PolarHBondContact O-N 2.93Å; F223-K227 WeakPolarHBondContact O-CB 3.33Å; F223-K227 PolarHBondContact O-N 3.07Å |
| 224 | T | 72.9 | Confident | 69.2 | Low | 73 Ų | 73 | 111 Ų | 111 | 45% | 0.448 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62.5 | -39.1 | 174.2 | 48.1 | 0 | 0 | 0 | 0 | 111.1 | L220 H221 K227 F228 | L220-T224 WeakPolarHBondContact O-CG2 3.14Å; L220-T224 PolarHBondContact O-N 3.11Å; L220-T224 PolarHBondContact O-OG1 3.21Å; H221-T224 WeakPolarHBondContact CA-OG1 3.49Å; H221-T224 PolarHBondContact O-OG1 3.02Å; H221-T224 VanDerWaalsContact O-OG1 3.04Å; T224-K227 PolarHBondContact O-N 3.5Å; T224-F228 WeakPolarHBondContact O-CB 3.28Å; T224-F228 PolarHBondContact O-N 2.62Å |
| 225 | F | 72.2 | Confident | 68.1 | Low | 81 Ų | 81 | 111 Ų | 111 | 36% | 0.355 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.6 | -47 | 175.6 | -170.6 | -109.8 | 0 | 0 | 0 | 112.6 | H221 F223 K227 F228 S229 F256 | H221-F225 WeakPolarHBondContact O-CB 3.25Å; H221-F225 PolarHBondContact O-N 3.41Å; F223-F225 VanDerWaalsContact C-N 3.28Å; F223-F225 PolarHBondContact O-N 2.9Å; F225-K227 VanDerWaalsContact C-N 3.31Å; F225-K227 PolarHBondContact O-N 3.49Å; F225-F228 PolarHBondContact O-N 3.31Å; F225-S229 PolarHBondContact O-N 3.44Å; F225-S229 PolarHBondContact O-OG 3.19Å; F225-F256 HydrophobicContact CD1-CZ 4.28Å; F225-F256 AromaticContact CE1-CE1 3.81Å; F225-F256 HydrophobicContact CE1-CE1 3.81Å; F225-F256 AromaticContact CE1-CE2 3.54Å; F225-F256 HydrophobicContact CE1-CE2 3.54Å; F225-F256 AromaticContact CE1-CZ 3.05Å; F225-F256 HydrophobicContact CE1-CZ 3.05Å; F225-F256 AromaticContact CE2-CE2 3.97Å; F225-F256 HydrophobicContact CE2-CE2 3.97Å; F225-F256 HydrophobicContact CE2-CZ 4.33Å; F225-F256 AromaticContact CZ-CD2 3.9Å; F225-F256 HydrophobicContact CZ-CD2 3.9Å; F225-F256 AromaticContact CZ-CE1 3.89Å; F225-F256 HydrophobicContact CZ-CE1 3.89Å; F225-F256 AromaticContact CZ-CE2 3.06Å; F225-F256 HydrophobicContact CZ-CE2 3.06Å; F225-F256 AromaticContact CZ-CZ 3.09Å; F225-F256 HydrophobicContact CZ-CZ 3.09Å |
| 226 | F | 71 | Confident | 66.8 | Low | 120 Ų | 120 | 113.6 Ų | 113.6 | 53% | 0.526 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -60 | -41.5 | 174.3 | -106.9 | -91 | 0 | 0 | 0 | 112.1 | L222 F223 S229 F230 | L222-F226 HydrophobicContact CG-CD2 4.43Å; L222-F226 WeakPolarHBondContact O-CB 3.47Å; L222-F226 PolarHBondContact O-N 3.17Å; F223-F226 PolarHBondContact O-N 2.93Å; F226-S229 PolarHBondContact O-N 3.12Å; F226-F230 HydrophobicContact CD1-CD2 4.3Å; F226-F230 HydrophobicContact CD1-CE2 4.17Å; F226-F230 HydrophobicContact CE1-CE2 4.49Å; F226-F230 WeakPolarHBondContact O-CB 3.16Å; F226-F230 WeakPolarHBondContact O-CD2 3.32Å; F226-F230 PolarHBondContact O-N 3.15Å |
| 227 | K | 72.4 | Confident | 65.6 | Low | 148 Ų | 148 | 117.3 Ų | 117.3 | 64% | 0.643 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -67.1 | -37.4 | 178.5 | -161.6 | 175.3 | -177.5 | 167.7 | 0 | 111.9 | F223 T224 F225 H231 | F223-K227 WeakPolarHBondContact O-CB 3.33Å; F223-K227 PolarHBondContact O-N 3.07Å; T224-K227 PolarHBondContact O-N 3.5Å; F225-K227 VanDerWaalsContact C-N 3.31Å; F225-K227 PolarHBondContact O-N 3.49Å; K227-H231 VanDerWaalsContact O-CB 3.32Å; K227-H231 WeakPolarHBondContact O-CB 3.2Å; K227-H231 PolarHBondContact O-N 3.24Å |
| 228 | F | 66.5 | Low | 64.1 | Low | 138 Ų | 138 | 118.2 Ų | 118.2 | 61% | 0.605 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -69.7 | -42 | 177.1 | -142.5 | -93.1 | 0 | 0 | 0 | 111.5 | T224 F225 F230 H231 W232 | T224-F228 WeakPolarHBondContact O-CB 3.28Å; T224-F228 PolarHBondContact O-N 2.62Å; F225-F228 PolarHBondContact O-N 3.31Å; F228-F230 PolarHBondContact O-N 2.76Å; F228-H231 PolarHBondContact O-N 3.2Å; F228-W232 HydrophobicContact CD1-CE3 4.42Å; F228-W232 AromaticContact CE1-CE3 3.81Å; F228-W232 HydrophobicContact CE1-CE3 3.81Å; F228-W232 HydrophobicContact CE1-CZ3 4.12Å; F228-W232 WeakPolarHBondContact O-CB 3.48Å; F228-W232 PolarHBondContact O-N 2.85Å |
| 229 | S | 66.2 | Low | 63.1 | Low | 49 Ų | 49 | 120.4 Ų | 120.4 | 34% | 0.343 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -62.1 | -41.2 | 173.7 | -72 | 0 | 0 | 0 | 0 | 112.5 | F225 F226 C233 | F225-S229 PolarHBondContact O-N 3.44Å; F225-S229 PolarHBondContact O-OG 3.19Å; F226-S229 PolarHBondContact O-N 3.12Å; S229-C233 WeakPolarHBondContact O-CB 3.38Å; S229-C233 PolarHBondContact O-N 3.29Å |
| 230 | F | 58.9 | Low | 62 | Low | 151 Ų | 151 | 120.6 Ų | 120.6 | 66% | 0.662 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -67.9 | -39.4 | 175.8 | -98.6 | -90.6 | 0 | 0 | 0 | 112.7 | F226 F228 F234 | F226-F230 HydrophobicContact CD1-CD2 4.3Å; F226-F230 HydrophobicContact CD1-CE2 4.17Å; F226-F230 HydrophobicContact CE1-CE2 4.49Å; F226-F230 WeakPolarHBondContact O-CB 3.16Å; F226-F230 WeakPolarHBondContact O-CD2 3.32Å; F226-F230 PolarHBondContact O-N 3.15Å; F228-F230 PolarHBondContact O-N 2.76Å; F230-F234 PolarHBondContact O-N 3.49Å |
| 231 | H | 59 | Low | 61.1 | Low | 111 Ų | 111 | 118.9 Ų | 118.9 | 51% | 0.514 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -71.1 | -37.9 | 178.4 | -166.6 | -93.1 | 0 | 0 | 0 | 111.9 | K227 F228 F234 L235 | K227-H231 VanDerWaalsContact O-CB 3.32Å; K227-H231 WeakPolarHBondContact O-CB 3.2Å; K227-H231 PolarHBondContact O-N 3.24Å; F228-H231 PolarHBondContact O-N 3.2Å; H231-F234 PolarHBondContact O-N 3.29Å; H231-F234 VanDerWaalsContact O-N 3.12Å; H231-L235 VanDerWaalsContact CE1-CD1 3.46Å; H231-L235 WeakPolarHBondContact CE1-CD1 3.46Å; H231-L235 PolarHBondContact O-N 3.09Å |
| 232 | W | 52.6 | Low | 59.8 | Low | 171 Ų | 171 | 121.4 Ų | 121.4 | 65% | 0.648 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -67.3 | -37.9 | 176.2 | -156.9 | -81.9 | 0 | 0 | 0 | 112.1 | F228 F234 L235 | F228-W232 HydrophobicContact CD1-CE3 4.42Å; F228-W232 AromaticContact CE1-CE3 3.81Å; F228-W232 HydrophobicContact CE1-CE3 3.81Å; F228-W232 HydrophobicContact CE1-CZ3 4.12Å; F228-W232 WeakPolarHBondContact O-CB 3.48Å; F228-W232 PolarHBondContact O-N 2.85Å; W232-F234 PolarHBondContact O-N 2.84Å; W232-F234 VanDerWaalsContact O-N 3.15Å; W232-L235 PolarHBondContact O-N 3.17Å |
| 233 | C | 53 | Low | 58.5 | Low | 115 Ų | 115 | 122 Ų | 122 | 78% | 0.777 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63 | -15.8 | 171.4 | -84.2 | 0 | 0 | 0 | 0 | 114 | S229 | S229-C233 WeakPolarHBondContact O-CB 3.38Å; S229-C233 PolarHBondContact O-N 3.29Å |
| 234 | F | 51.8 | Low | 57.3 | Low | 163 Ų | 163 | 125.1 Ų | 125.1 | 72% | 0.715 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.5 | -11 | -175.4 | -140.8 | -91 | 0 | 0 | 0 | 114 | F230 H231 W232 | F230-F234 PolarHBondContact O-N 3.49Å; H231-F234 PolarHBondContact O-N 3.29Å; H231-F234 VanDerWaalsContact O-N 3.12Å; W232-F234 PolarHBondContact O-N 2.84Å; W232-F234 VanDerWaalsContact O-N 3.15Å |
| 235 | L | 49.8 | Very low | 56 | Low | 109 Ų | 109 | 131.8 Ų | 131.8 | 57% | 0.571 | 67% | 0.665 | S | S | * | * | trans | -101 | 1.2 | -169 | -136.6 | 77.6 | 0 | 0 | 0 | 115.6 | H231 W232 N237 | H231-L235 VanDerWaalsContact CE1-CD1 3.46Å; H231-L235 WeakPolarHBondContact CE1-CD1 3.46Å; H231-L235 PolarHBondContact O-N 3.09Å; W232-L235 PolarHBondContact O-N 3.17Å; L235-N237 PolarHBondContact O-N 3.06Å | ||
| 236 | E | 50.3 | Low | 54.8 | Low | 164 Ų | 164 | 136.6 Ų | 136.6 | 77% | 0.766 | 69% | 0.686 | S | S | * | * | trans | -89.2 | 82.9 | 175.6 | -148.9 | 146.3 | -153.3 | 0 | 0 | 109 | ||||
| 237 | N | 46.5 | Very low | 53.4 | Low | 121 Ų | 121 | 135.6 Ų | 135.6 | 65% | 0.647 | 69% | 0.694 | S | S | * | * | trans | -86.8 | 104 | 172.4 | -78.4 | -55.4 | 0 | 0 | 0 | 109.2 | L235 | L235-N237 PolarHBondContact O-N 3.06Š| ||
| 238 | D | 47.4 | Very low | 52.2 | Low | 117 Ų | 117 | 132.6 Ų | 132.6 | 63% | 0.626 | 70% | 0.697 | S | S | * | * | trans | -64.8 | 145.6 | 152.2 | -70 | -44.6 | 0 | 0 | 0 | 108.4 | D240 G241 | D238-D240 PolarHBondContact O-N 3.4Å; D238-G241 PolarHBondContact O-N 2.9Å | ||
| 239 | G | 55.4 | Low | 51.1 | Low | 87 Ų | 87 | 133 Ų | 133 | 90% | 0.897 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58 | 11.2 | -169.6 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||
| 240 | D | 54.7 | Low | 49.9 | Very low | 152 Ų | 152 | 137.9 Ų | 137.9 | 81% | 0.813 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.1 | 4.8 | -176.8 | -73.6 | -35.7 | 0 | 0 | 0 | 114.8 | D238 K242 | D238-D240 PolarHBondContact O-N 3.4Å; D240-K242 VanDerWaalsContact C-N 3.29Å; D240-K242 PolarHBondContact O-N 3.5Å; D240-K242 VanDerWaalsContact O-N 3.16Å |
| 241 | G | 56.3 | Low | 49.6 | Very low | 64 Ų | 64 | 136 Ų | 136 | 66% | 0.66 | 73% | 0.733 | S | S | * | * | trans | 65.7 | 21 | 168.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | D238 | D238-G241 PolarHBondContact O-N 2.9Š| ||
| 242 | K | 48.9 | Very low | 49 | Very low | 181 Ų | 181 | 133.4 Ų | 133.4 | 79% | 0.787 | 74% | 0.736 | S | S | * | * | trans | -112.1 | 124.6 | 174 | -81.9 | 179.1 | 179.4 | 172.4 | 0 | 111.4 | D240 R244 | D240-K242 VanDerWaalsContact C-N 3.29Å; D240-K242 PolarHBondContact O-N 3.5Å; D240-K242 VanDerWaalsContact O-N 3.16Å; K242-R244 PolarHBondContact O-N 3.33Å | ||
| 243 | P | 49.4 | Very low | 48.8 | Very low | 111 Ų | 111 | 129.7 Ų | 129.7 | 72% | 0.721 | 74% | 0.736 | S | S | * | * | trans | -69.3 | 121.9 | 175.3 | 27.7 | -32.1 | 0 | 0 | 0 | 110.2 | ||||
| 244 | R | 48 | Very low | 48.5 | Very low | 202 Ų | 202 | 134.6 Ų | 134.6 | 76% | 0.762 | 74% | 0.738 | S | S | * | * | trans | -90 | 125.6 | 167.2 | -78.7 | -167.9 | -174.2 | -162.7 | 5.2 | 109.8 | K242 F246 | K242-R244 PolarHBondContact O-N 3.33Å; R244-F246 PolarHBondContact O-N 3.44Å | ||
| 245 | F | 46.7 | Very low | 48.5 | Very low | 213 Ų | 213 | 133.2 Ų | 133.2 | 93% | 0.934 | 74% | 0.737 | S | S | * | * | trans | -70.2 | 109.1 | 160.9 | -103.8 | -95.8 | 0 | 0 | 0 | 108.3 | S247 | F245-S247 PolarHBondContact O-N 2.7Š| ||
| 246 | F | 46.6 | Very low | 48.5 | Very low | 182 Ų | 182 | 132.7 Ų | 132.7 | 80% | 0.798 | 73% | 0.731 | S | S | * | * | trans | -79.4 | 115.2 | 166.5 | -115.1 | -91.3 | 0 | 0 | 0 | 109 | R244 A248 | R244-F246 PolarHBondContact O-N 3.44Å; F246-A248 PolarHBondContact O-N 3.26Å | ||
| 247 | S | 41.3 | Very low | 48.7 | Very low | 98 Ų | 98 | 131.8 Ų | 131.8 | 69% | 0.685 | 73% | 0.726 | S | S | * | * | trans | -63.8 | 119.4 | 166.6 | -178.1 | 0 | 0 | 0 | 0 | 108.2 | F245 N249 | F245-S247 PolarHBondContact O-N 2.7Å; S247-N249 PolarHBondContact O-N 3.44Å | ||
| 248 | A | 47.4 | Very low | 48.9 | Very low | 86 Ų | 86 | 133.6 Ų | 133.6 | 71% | 0.711 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -65.6 | 90.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | F246 | F246-A248 PolarHBondContact O-N 3.26Š|
| 249 | N | 43.9 | Very low | 49.3 | Very low | 147 Ų | 147 | 133.2 Ų | 133.2 | 79% | 0.786 | 73% | 0.726 | S | S | * | * | trans | -144.1 | -2.4 | 169.2 | -100.4 | -18.1 | 0 | 0 | 0 | 116.4 | S247 | S247-N249 PolarHBondContact O-N 3.44Š| ||
| 250 | D | 40.7 | Very low | 49.3 | Very low | 151 Ų | 151 | 131.8 Ų | 131.8 | 81% | 0.807 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -124.5 | 116.5 | -177.4 | -101.8 | -40.7 | 0 | 0 | 0 | 114.5 | G252 | D250-G252 VanDerWaalsContact C-N 3.31Å; D250-G252 PolarHBondContact O-N 3.49Å |
| 251 | S | 52 | Low | 49.2 | Very low | 111 Ų | 111 | 128.2 Ų | 128.2 | 78% | 0.776 | 68% | 0.684 | S | S | * | * | S | Bend | trans | 64.2 | -27.5 | 156 | 69.8 | 0 | 0 | 0 | 0 | 121 | C253 | S251-C253 PolarHBondContact O-N 3.04Š|
| 252 | G | 47.3 | Very low | 49.2 | Very low | 56 Ų | 56 | 129.5 Ų | 129.5 | 58% | 0.577 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.8 | -24.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 116 | D250 R254 | D250-G252 VanDerWaalsContact C-N 3.31Å; D250-G252 PolarHBondContact O-N 3.49Å; G252-R254 PolarHBondContact O-N 3.47Å |
| 253 | C | 48.3 | Very low | 49.5 | Very low | 94 Ų | 94 | 126 Ų | 126 | 64% | 0.635 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -75.7 | -18.7 | -173.2 | -62.6 | 0 | 0 | 0 | 0 | 114.3 | S251 F256 | S251-C253 PolarHBondContact O-N 3.04Å; C253-F256 VanDerWaalsContact O-CB 3.28Å; C253-F256 WeakPolarHBondContact O-CB 3.47Å; C253-F256 PolarHBondContact O-N 2.87Å |
| 254 | R | 46.8 | Very low | 49.7 | Very low | 218 Ų | 218 | 125.6 Ų | 125.6 | 82% | 0.823 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -75.8 | -26.2 | -175.3 | -67.7 | -168.3 | -170 | -145.9 | 4.5 | 113.9 | G252 F256 | G252-R254 PolarHBondContact O-N 3.47Å; R254-F256 VanDerWaalsContact C-N 3.26Å |
| 255 | L | 51.7 | Low | 49.9 | Very low | 134 Ų | 134 | 120.9 Ų | 120.9 | 70% | 0.702 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -72.5 | -24.5 | 170.5 | -111.5 | 99.3 | 0 | 0 | 0 | 112.3 | F258 L259 | L255-F258 PolarHBondContact O-N 2.93Å; L255-L259 PolarHBondContact O-N 3.03Å |
| 256 | F | 49.7 | Very low | 49.8 | Very low | 98 Ų | 98 | 113 Ų | 113 | 43% | 0.43 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -75.4 | -35.9 | -173.5 | -158.9 | -94.8 | 0 | 0 | 0 | 112.9 | F225 C253 R254 F258 T260 | F225-F256 HydrophobicContact CD1-CZ 4.28Å; F225-F256 AromaticContact CE1-CE1 3.81Å; F225-F256 HydrophobicContact CE1-CE1 3.81Å; F225-F256 AromaticContact CE1-CE2 3.54Å; F225-F256 HydrophobicContact CE1-CE2 3.54Å; F225-F256 AromaticContact CE1-CZ 3.05Å; F225-F256 HydrophobicContact CE1-CZ 3.05Å; F225-F256 AromaticContact CE2-CE2 3.97Å; F225-F256 HydrophobicContact CE2-CE2 3.97Å; F225-F256 HydrophobicContact CE2-CZ 4.33Å; F225-F256 AromaticContact CZ-CD2 3.9Å; F225-F256 HydrophobicContact CZ-CD2 3.9Å; F225-F256 AromaticContact CZ-CE1 3.89Å; F225-F256 HydrophobicContact CZ-CE1 3.89Å; F225-F256 AromaticContact CZ-CE2 3.06Å; F225-F256 HydrophobicContact CZ-CE2 3.06Å; F225-F256 AromaticContact CZ-CZ 3.09Å; F225-F256 HydrophobicContact CZ-CZ 3.09Å; C253-F256 VanDerWaalsContact O-CB 3.28Å; C253-F256 WeakPolarHBondContact O-CB 3.47Å; C253-F256 PolarHBondContact O-N 2.87Å; R254-F256 VanDerWaalsContact C-N 3.26Å; F256-F258 VanDerWaalsContact C-N 3.3Å; F256-T260 HydrophobicContact CD1-CG2 4.43Å; F256-T260 HydrophobicContact CE1-CG2 4.45Å; F256-T260 PolarHBondContact O-N 3.31Å; F256-T260 PolarHBondContact O-OG1 3.49Å |
| 257 | E | 52.8 | Low | 49.8 | Very low | 145 Ų | 145 | 108.2 Ų | 108.2 | 68% | 0.678 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -67.4 | -31.2 | 172.1 | -72.1 | -152.9 | 150.6 | 0 | 0 | 112.3 | T260 T261 | E257-T260 PolarHBondContact O-OG1 3.09Å; E257-T261 VanDerWaalsContact O-CB 3.24Å; E257-T261 WeakPolarHBondContact O-CB 3.19Å; E257-T261 PolarHBondContact O-N 3.16Å; E257-T261 PolarHBondContact O-OG1 3.23Å |
| 258 | F | 51.5 | Low | 50.1 | Low | 158 Ų | 158 | 108 Ų | 108 | 69% | 0.693 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -71.5 | -40.7 | 179.3 | -111.8 | -90.4 | 0 | 0 | 0 | 112.7 | L255 F256 T262 | L255-F258 PolarHBondContact O-N 2.93Å; F256-F258 VanDerWaalsContact C-N 3.3Å; F258-T262 PolarHBondContact O-N 3.28Å; F258-T262 PolarHBondContact O-OG1 2.79Å |
| 259 | L | 55.4 | Low | 50 | Low | 109 Ų | 109 | 112.6 Ų | 112.6 | 57% | 0.571 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -75.3 | -39.2 | 179.4 | -93.3 | 86.5 | 0 | 0 | 0 | 113.1 | L255 T262 I263 | L255-L259 PolarHBondContact O-N 3.03Å; L259-T262 PolarHBondContact O-N 3.36Å; L259-I263 WeakPolarHBondContact O-CG1 2.9Å; L259-I263 PolarHBondContact O-N 3.01Å |
| 260 | T | 56.5 | Low | 50.1 | Low | 57 Ų | 57 | 116.7 Ų | 116.7 | 35% | 0.35 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -67.9 | -39.3 | 179.5 | 44.2 | 0 | 0 | 0 | 0 | 111.9 | F256 E257 T262 I263 V264 | F256-T260 HydrophobicContact CD1-CG2 4.43Å; F256-T260 HydrophobicContact CE1-CG2 4.45Å; F256-T260 PolarHBondContact O-N 3.31Å; F256-T260 PolarHBondContact O-OG1 3.49Å; E257-T260 PolarHBondContact O-OG1 3.09Å; T260-T262 VanDerWaalsContact C-N 3.32Å; T260-T262 PolarHBondContact O-N 3.02Å; T260-I263 PolarHBondContact O-N 2.96Å; T260-V264 VanDerWaalsContact O-CG2 3.32Å; T260-V264 WeakPolarHBondContact O-CG2 3.32Å; T260-V264 PolarHBondContact O-N 3.22Å |
| 261 | T | 52.6 | Low | 50.2 | Low | 78 Ų | 78 | 116.4 Ų | 116.4 | 48% | 0.479 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -64.6 | -35.9 | 175.8 | -57 | 0 | 0 | 0 | 0 | 112 | E257 L265 | E257-T261 VanDerWaalsContact O-CB 3.24Å; E257-T261 WeakPolarHBondContact O-CB 3.19Å; E257-T261 PolarHBondContact O-N 3.16Å; E257-T261 PolarHBondContact O-OG1 3.23Å; T261-L265 HydrophobicContact CG2-CD1 3.65Å; T261-L265 WeakPolarHBondContact O-CB 3.08Å; T261-L265 WeakPolarHBondContact O-CD1 3.21Å; T261-L265 WeakPolarHBondContact O-CG 3.49Å; T261-L265 PolarHBondContact O-N 3.16Å; T261-L265 VanDerWaalsContact O-N 3.1Å |
| 262 | T | 55.2 | Low | 49.6 | Very low | 91 Ų | 91 | 119.9 Ų | 119.9 | 56% | 0.558 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -72.9 | -36.3 | -179.2 | -50.3 | 0 | 0 | 0 | 0 | 112.7 | F258 L259 T260 G266 | F258-T262 PolarHBondContact O-N 3.28Å; F258-T262 PolarHBondContact O-OG1 2.79Å; L259-T262 PolarHBondContact O-N 3.36Å; T260-T262 VanDerWaalsContact C-N 3.32Å; T260-T262 PolarHBondContact O-N 3.02Å; T262-G266 PolarHBondContact O-N 3.3Å |
| 263 | I | 55.3 | Low | 49.7 | Very low | 107 Ų | 107 | 123.1 Ų | 123.1 | 55% | 0.549 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -74.5 | -36.2 | 179.4 | -65.5 | 168.7 | 0 | 0 | 0 | 111.5 | L259 T260 S267 | L259-I263 WeakPolarHBondContact O-CG1 2.9Å; L259-I263 PolarHBondContact O-N 3.01Å; T260-I263 PolarHBondContact O-N 2.96Å; I263-S267 PolarHBondContact O-OG 3.42Å |
| 264 | V | 54.2 | Low | 49.8 | Very low | 102 Ų | 102 | 124.6 Ų | 124.6 | 62% | 0.618 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -71.7 | -38.7 | 177.3 | 175.6 | 0 | 0 | 0 | 0 | 111.5 | T260 | T260-V264 VanDerWaalsContact O-CG2 3.32Å; T260-V264 WeakPolarHBondContact O-CG2 3.32Å; T260-V264 PolarHBondContact O-N 3.22Å |
| 265 | L | 52.3 | Low | 49.9 | Very low | 103 Ų | 103 | 119.4 Ų | 119.4 | 54% | 0.539 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -77.2 | -25.2 | 176.7 | -74.6 | 164.3 | 0 | 0 | 0 | 113.8 | T261 S267 T268 | T261-L265 HydrophobicContact CG2-CD1 3.65Å; T261-L265 WeakPolarHBondContact O-CB 3.08Å; T261-L265 WeakPolarHBondContact O-CD1 3.21Å; T261-L265 WeakPolarHBondContact O-CG 3.49Å; T261-L265 PolarHBondContact O-N 3.16Å; T261-L265 VanDerWaalsContact O-N 3.1Å; L265-S267 VanDerWaalsContact C-N 3.32Å; L265-T268 PolarHBondContact O-OG1 3.28Å |
| 266 | G | 45 | Very low | 49.8 | Very low | 49 Ų | 49 | 118.5 Ų | 118.5 | 51% | 0.505 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -70.5 | -27.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | T262 | T262-G266 PolarHBondContact O-N 3.3Å |
| 267 | S | 45.9 | Very low | 49.9 | Very low | 80 Ų | 80 | 119.8 Ų | 119.8 | 56% | 0.559 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -86 | -21.9 | -176 | -62.8 | 0 | 0 | 0 | 0 | 113.8 | I263 L265 | I263-S267 PolarHBondContact O-OG 3.42Å; L265-S267 VanDerWaalsContact C-N 3.32Å |
| 268 | T | 48.2 | Very low | 49.7 | Very low | 94 Ų | 94 | 118.1 Ų | 118.1 | 58% | 0.577 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -83.1 | -19.1 | 179.8 | 48.4 | 0 | 0 | 0 | 0 | 113.3 | L265 | L265-T268 PolarHBondContact O-OG1 3.28Å |
| 269 | K | 45.4 | Very low | 49.5 | Very low | 183 Ų | 183 | 115.3 Ų | 115.3 | 80% | 0.796 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | -4 | 178.7 | -75.8 | -177.5 | 176.5 | 179.5 | 0 | 115.5 | ||
| 270 | R | 44.8 | Very low | 49.1 | Very low | 232 Ų | 232 | 115.8 Ų | 115.8 | 88% | 0.875 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.6 | 9.2 | 176.8 | -100.2 | -175.7 | -157.3 | -156.6 | 5.8 | 114.7 | ||
| 271 | L | 44.3 | Very low | 48.5 | Very low | 146 Ų | 146 | 120.7 Ų | 120.7 | 76% | 0.764 | 68% | 0.675 | S | S | * | * | trans | -124.8 | 60.6 | 178.9 | -75.5 | 159 | 0 | 0 | 0 | 109.8 | ||||
| 272 | S | 38.5 | Very low | 48.1 | Very low | 183 Ų | 183 | 124.5 Ų | 124.5 | 100% | 1.28 | 69% | 0.693 | S | S | * | * | trans | -138 | 0 | 158 | -179.1 | 0 | 0 | 0 | 0 | 108.1 |
Retrieved 272 of 272 residues in 119 ms
(Link to these results)