| 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 | 47.5 | Very low | 57.3 | Low | 233 Ų | 233 | 163.2 Ų | 163.2 | 100% | 1.148 | 86% | 0.861 | S | S | * | * | 0 | 86.2 | 0 | -60.8 | -55.2 | 171.8 | 0 | 0 | 106.4 | |||||
| 2 | D | 55.7 | Low | 56.5 | Low | 142 Ų | 142 | 156.2 Ų | 156.2 | 76% | 0.759 | 86% | 0.857 | S | S | * | * | trans | -95.3 | 130.1 | -168 | -104.3 | -85.6 | 0 | 0 | 0 | 112.3 | T4 | D2-T4 VanDerWaalsContact C-N 3.28Å; D2-T4 PolarHBondContact O-N 3.37Å; D2-T4 PolarHBondContact OD1-OG1 3.19Å | ||
| 3 | P | 76.2 | Confident | 55.8 | Low | 124 Ų | 124 | 150.3 Ų | 150.3 | 81% | 0.805 | 86% | 0.855 | S | S | * | * | trans | -84.7 | 29.4 | 176.9 | 33.2 | -33.9 | 0 | 0 | 0 | 115.1 | L5 | P3-L5 PolarHBondContact O-N 3.48Š| ||
| 4 | T | 61.2 | Low | 55 | Low | 108 Ų | 108 | 144.9 Ų | 144.9 | 66% | 0.663 | 85% | 0.848 | S | S | * | * | trans | -73.6 | 38.5 | -171.5 | -45.8 | 0 | 0 | 0 | 0 | 115.6 | D2 | D2-T4 VanDerWaalsContact C-N 3.28Å; D2-T4 PolarHBondContact O-N 3.37Å; D2-T4 PolarHBondContact OD1-OG1 3.19Å | ||
| 5 | L | 60 | Low | 54 | Low | 164 Ų | 164 | 141.1 Ų | 141.1 | 86% | 0.859 | 85% | 0.852 | S | S | * | * | trans | -145.3 | 62.7 | -179.7 | -69.9 | 178.2 | 0 | 0 | 0 | 115 | P3 | P3-L5 PolarHBondContact O-N 3.48Š| ||
| 6 | R | 55.7 | Low | 53.6 | Low | 255 Ų | 255 | 140 Ų | 140 | 96% | 0.962 | 85% | 0.853 | S | S | * | * | trans | -145.1 | 63.1 | 156.1 | -74.8 | -160.1 | 111.6 | 105.5 | -0.7 | 112.3 | ||||
| 7 | A | 51.1 | Low | 52.9 | Low | 98 Ų | 98 | 136.5 Ų | 136.5 | 81% | 0.81 | 85% | 0.851 | S | S | * | * | trans | -133.8 | 79.9 | 165.2 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 8 | V | 60.6 | Low | 52.4 | Low | 128 Ų | 128 | 133.1 Ų | 133.1 | 78% | 0.776 | 85% | 0.848 | S | S | * | * | trans | -160.1 | 125 | 166.7 | 132.3 | 0 | 0 | 0 | 0 | 108 | ||||
| 9 | L | 56.2 | Low | 52 | Low | 163 Ų | 163 | 130.8 Ų | 130.8 | 85% | 0.853 | 84% | 0.842 | S | S | * | * | trans | 72.9 | 87.8 | 164.8 | -59.5 | 154.6 | 0 | 0 | 0 | 118.6 | ||||
| 10 | S | 54 | Low | 51.6 | Low | 125 Ų | 125 | 136.1 Ų | 136.1 | 87% | 0.874 | 84% | 0.844 | S | S | * | * | trans | -150.9 | 64.9 | 139.9 | -162.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 11 | R | 52.6 | Low | 51.4 | Low | 255 Ų | 255 | 133.5 Ų | 133.5 | 96% | 0.962 | 84% | 0.844 | S | S | * | * | trans | -103.4 | 117.3 | 161.6 | -104.6 | 164.7 | 78.1 | -164.3 | 6.3 | 107.2 | ||||
| 12 | G | 46.7 | Very low | 51.1 | Low | 79 Ų | 79 | 126.1 Ų | 126.1 | 81% | 0.814 | 83% | 0.827 | S | S | * | * | trans | 130.1 | 135.4 | 164.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 13 | G | 48 | Very low | 50.2 | Low | 80 Ų | 80 | 123 Ų | 123 | 83% | 0.825 | 83% | 0.829 | S | S | * | * | trans | 137.5 | 99.4 | 160.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 14 | G | 44.1 | Very low | 48.4 | Very low | 74 Ų | 74 | 121.3 Ų | 121.3 | 76% | 0.763 | 83% | 0.834 | S | S | * | * | trans | -61.6 | 143.9 | -173 | 0 | 0 | 0 | 0 | 0 | 115.8 | S16 | G14-S16 VanDerWaalsContact C-N 3.29Å; G14-S16 PolarHBondContact O-N 3.2Å | ||
| 15 | G | 41.2 | Very low | 47.5 | Very low | 88 Ų | 88 | 119.3 Ų | 119.3 | 91% | 0.907 | 84% | 0.835 | S | S | * | * | trans | -72.1 | 76.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | G17 | G15-G17 VanDerWaalsContact C-N 3.26Å; G15-G17 PolarHBondContact O-N 3.29Å | ||
| 16 | S | 46.5 | Very low | 47.4 | Very low | 124 Ų | 124 | 114.5 Ų | 114.5 | 87% | 0.867 | 83% | 0.825 | S | S | * | * | trans | -83.5 | 69.6 | 160.6 | -64.1 | 0 | 0 | 0 | 0 | 109.3 | G14 | G14-S16 VanDerWaalsContact C-N 3.29Å; G14-S16 PolarHBondContact O-N 3.2Å | ||
| 17 | G | 41.8 | Very low | 47.9 | Very low | 80 Ų | 80 | 107.1 Ų | 107.1 | 83% | 0.825 | 82% | 0.819 | S | S | * | * | trans | -117.4 | 62.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | G15 | G15-G17 VanDerWaalsContact C-N 3.26Å; G15-G17 PolarHBondContact O-N 3.29Å | ||
| 18 | G | 44.6 | Very low | 49.5 | Very low | 76 Ų | 76 | 109.4 Ų | 109.4 | 78% | 0.784 | 81% | 0.812 | S | S | * | * | trans | -130.7 | 24.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 19 | A | 44.6 | Very low | 50.9 | Low | 89 Ų | 89 | 107.1 Ų | 107.1 | 74% | 0.736 | 79% | 0.79 | S | S | * | * | trans | -92.8 | 109.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | G21 | A19-G21 PolarHBondContact O-N 2.76Š| ||
| 20 | R | 44.3 | Very low | 52.6 | Low | 237 Ų | 237 | 103.2 Ų | 103.2 | 89% | 0.894 | 76% | 0.764 | S | S | * | * | trans | 33.4 | 87.9 | 145.3 | -60.4 | 173.6 | 164.7 | 179 | -5.5 | 115.2 | G22 | R20-G22 PolarHBondContact O-N 3.24Š| ||
| 21 | G | 46 | Very low | 54.2 | Low | 82 Ų | 82 | 98.7 Ų | 98.7 | 85% | 0.845 | 74% | 0.737 | S | S | * | * | trans | -60.6 | 114.3 | 143 | 0 | 0 | 0 | 0 | 0 | 105.7 | A19 | A19-G21 PolarHBondContact O-N 2.76Š| ||
| 22 | G | 42.3 | Very low | 56.1 | Low | 77 Ų | 77 | 87.4 Ų | 87.4 | 79% | 0.794 | 70% | 0.697 | S | S | * | * | cis | 69.2 | 101.7 | 28.2 | 0 | 0 | 0 | 0 | 0 | 106.9 | R20 | R20-G22 PolarHBondContact O-N 3.24Š| ||
| 23 | G | 37.5 | Very low | 58.3 | Low | 77 Ų | 77 | 88.8 Ų | 88.8 | 79% | 0.794 | 68% | 0.677 | S | S | * | * | cis | -174.7 | 141.1 | -2.6 | 0 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 24 | G | 37.7 | Very low | 60.3 | Low | 88 Ų | 88 | 91.3 Ų | 91.3 | 91% | 0.907 | 67% | 0.665 | S | S | * | * | S | Bend | trans | 88.6 | 103.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 25 | G | 41.7 | Very low | 62.5 | Low | 66 Ų | 66 | 91.9 Ų | 91.9 | 68% | 0.68 | 65% | 0.645 | S | S | * | * | S | Bend | trans | 101 | 96 | 157 | 0 | 0 | 0 | 0 | 0 | 117.2 | H28 | G25-H28 PolarHBondContact O-CE1 3.38Š|
| 26 | G | 57.5 | Low | 64.8 | Low | 64 Ų | 64 | 94.1 Ų | 94.1 | 66% | 0.66 | 64% | 0.643 | S | S | * | * | S | Bend | trans | 88.9 | 133.4 | 164.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | H28 | G26-H28 PolarHBondContact O-N 3.27Å; G26-H28 PolarHBondContact O-ND1 3.33Å |
| 27 | A | 67 | Low | 66.7 | Low | 99 Ų | 99 | 98.1 Ų | 98.1 | 82% | 0.818 | 64% | 0.639 | S | S | * | * | trans | -67.8 | 97.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 28 | H | 85.4 | Confident | 69 | Low | 147 Ų | 147 | 95.9 Ų | 95.9 | 68% | 0.681 | 62% | 0.617 | S | S | * | * | P | Polyproline II helix | trans | -92 | 131.1 | 174.9 | -67.1 | 83.3 | 0 | 0 | 0 | 110.6 | G25 G26 | G25-H28 PolarHBondContact O-CE1 3.38Å; G26-H28 PolarHBondContact O-N 3.27Å; G26-H28 PolarHBondContact O-ND1 3.33Å |
| 29 | Y | 90 | Very high | 71.3 | Confident | 79 Ų | 79 | 96.6 Ų | 96.6 | 31% | 0.31 | 60% | 0.596 | S | S | . | * | P | Polyproline II helix | trans | -81.2 | 146.8 | 176.5 | -61 | -78.9 | 0 | 0 | 0 | 112 | G31 V32 P61 V62 A65 N83 F84 | Y29-G31 PolarHBondContact O-N 3.27Å; Y29-V32 PolarHBondContact O-N 2.82Å; Y29-P61 HydrophobicContact CD2-CB 3.87Å; Y29-P61 HydrophobicContact CE2-CB 3.87Å; Y29-P61 HydrophobicContact CE2-CG 4.25Å; Y29-V62 HydrophobicContact CE2-CG2 4.44Å; Y29-A65 HydrophobicContact CD1-CB 4.05Å; Y29-A65 HydrophobicContact CD2-CB 4.34Å; Y29-A65 HydrophobicContact CG-CB 3.76Å; Y29-N83 HydrophobicContact CD1-CB 4.33Å; Y29-F84 HydrophobicContact CD1-CZ 4.34Å; Y29-F84 HydrophobicContact CE1-CE1 4.17Å; Y29-F84 HydrophobicContact CE1-CZ 4Å |
| 30 | R | 90.3 | Very high | 73.6 | Confident | 82 Ų | 82 | 94.6 Ų | 94.6 | 31% | 0.309 | 57% | 0.569 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -60.7 | 131.5 | 177 | -173.6 | -178 | 177.3 | -109.5 | -17.1 | 110 | V32 Y68 K81 N83 | R30-V32 PolarHBondContact O-N 3.3Å; R30-Y68 HydrophobicContact CB-CE1 4.18Å; R30-Y68 HydrophobicContact CG-CD1 4.49Å; R30-Y68 HydrophobicContact CG-CE1 3.64Å; R30-Y68 PolarHBondContact NE-OH 3.15Å; R30-Y68 PolarHBondContact NH1-OH 2.71Å; R30-Y68 VanDerWaalsContact NH1-OH 3.14Å; R30-Y68 PolarHBondContact NH2-OH 3.25Å; R30-Y68 WeakPolarHBondContact O-CD1 3.4Å; R30-K81 PolarHBondContact NH1-O 3.1Å; R30-N83 WeakPolarHBondContact CA-OD1 3.38Å; R30-N83 WeakPolarHBondContact CB-OD1 3.33Å; R30-N83 PolarHBondContact N-OD1 2.83Å; R30-N83 PolarHBondContact O-ND2 2.95Å |
| 31 | G | 89.5 | Confident | 75.9 | Confident | 29 Ų | 29 | 83.8 Ų | 83.8 | 30% | 0.299 | 53% | 0.53 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.8 | -4.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y29 T42 | Y29-G31 PolarHBondContact O-N 3.27Å; G31-T42 WeakPolarHBondContact O-CA 3.49Å; G31-T42 PolarHBondContact O-OG1 3.41Å |
| 32 | V | 92.2 | Very high | 78.2 | Confident | 19 Ų | 19 | 80 Ų | 80 | 12% | 0.115 | 49% | 0.491 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 126.5 | -178.4 | -175.3 | 0 | 0 | 0 | 0 | 110.3 | Y29 R30 Y40 A64 A65 | Y29-V32 PolarHBondContact O-N 2.82Å; R30-V32 PolarHBondContact O-N 3.3Å; V32-Y40 HydrophobicContact CG1-CD1 3.81Å; V32-Y40 HydrophobicContact CG1-CG 4.24Å; V32-A64 HydrophobicContact CB-CB 4.38Å; V32-A64 HydrophobicContact CG1-CB 3.81Å; V32-A64 HydrophobicContact CG2-CB 3.66Å; V32-A65 HydrophobicContact CG2-CB 4Å |
| 33 | R | 92.2 | Very high | 80.6 | Confident | 107 Ų | 107 | 79.2 Ų | 79.2 | 40% | 0.404 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 140.9 | 171.9 | 64.5 | -179.6 | 178.4 | 110.3 | -3.6 | 110.6 | Y40 A41 | R33-Y40 WeakPolarHBondContact O-CA 3.41Å; R33-A41 HydrophobicContact CG-CB 3.96Å; R33-A41 PolarHBondContact N-O 3.07Å; R33-A41 PolarHBondContact O-N 2.99Å |
| 34 | K | 90.8 | Very high | 83.1 | Confident | 133 Ų | 133 | 75.9 Ų | 75.9 | 58% | 0.578 | 43% | 0.431 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 124 | 175.5 | -167.8 | 176 | -177.9 | -178.7 | 0 | 109.8 | Y40 | K34-Y40 HydrophobicContact CB-CD1 4.3Å; K34-Y40 HydrophobicContact CB-CE1 4.12Å; K34-Y40 HydrophobicContact CD-CE1 4.07Å; K34-Y40 HydrophobicContact CG-CD1 4.4Å; K34-Y40 HydrophobicContact CG-CE1 3.93Å |
| 35 | R | 90.4 | Very high | 85.7 | Confident | 87 Ų | 87 | 79.4 Ų | 79.4 | 33% | 0.328 | 42% | 0.416 | S | S | . | . | trans | -82 | 151.7 | 171.8 | -162.5 | 88.7 | -144.5 | -115 | 13.1 | 108.5 | W37 G38 R39 L180 | R35-W37 HydrophobicContact CB-CB 4.41Å; R35-W37 HydrophobicContact CG-CB 4.1Å; R35-W37 PolarHBondContact O-N 3.19Å; R35-W37 VanDerWaalsContact O-N 3.12Å; R35-G38 PolarHBondContact O-N 2.85Å; R35-R39 PolarHBondContact N-O 3.09Å; R35-L180 PolarHBondContact NH1-O 3.01Å | ||
| 36 | P | 88.5 | Confident | 87.9 | Confident | 135 Ų | 135 | 77.2 Ų | 77.2 | 88% | 0.877 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -22.6 | 169 | 20.9 | -35.3 | 0 | 0 | 0 | 113.8 | G38 | P36-G38 PolarHBondContact O-N 3.38Š|
| 37 | W | 86.5 | Confident | 89.2 | Confident | 207 Ų | 207 | 78.8 Ų | 78.8 | 78% | 0.784 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -11.4 | 171.1 | -174.2 | -112.3 | 0 | 0 | 0 | 114.1 | R35 | R35-W37 HydrophobicContact CB-CB 4.41Å; R35-W37 HydrophobicContact CG-CB 4.1Å; R35-W37 PolarHBondContact O-N 3.19Å; R35-W37 VanDerWaalsContact O-N 3.12Å |
| 38 | G | 89.6 | Confident | 90 | Very high | 34 Ų | 34 | 85.2 Ų | 85.2 | 35% | 0.351 | 39% | 0.391 | S | S | . | . | S | Bend | trans | 95.2 | -16.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115 | R35 P36 | R35-G38 PolarHBondContact O-N 2.85Å; P36-G38 PolarHBondContact O-N 3.38Å |
| 39 | R | 93.1 | Very high | 90.1 | Very high | 91 Ų | 91 | 84.7 Ų | 84.7 | 34% | 0.343 | 39% | 0.387 | S | S | . | . | P | Polyproline II helix | trans | -78.3 | 155 | 176.7 | -60.2 | -171.6 | 86.8 | -174.5 | 6.8 | 112.8 | R35 D59 | R35-R39 PolarHBondContact N-O 3.09Å; R39-D59 IonicContact CZ-OD1 3.27Å; R39-D59 VanDerWaalsContact CZ-OD1 3.27Å; R39-D59 IonicContact NE-OD1 2.84Å; R39-D59 PolarHBondContact NE-OD1 3.38Å; R39-D59 IonicContact NH2-OD1 2.86Å; R39-D59 PolarHBondContact NH2-OD1 3.4Å; R39-D59 IonicContact NH2-OD2 3.68Å |
| 40 | Y | 93 | Very high | 90 | Very high | 47 Ų | 47 | 89.1 Ų | 89.1 | 18% | 0.184 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 118.5 | -179.9 | -61.3 | -84.1 | 0 | 0 | 0 | 109.9 | V32 R33 K34 T57 F58 D59 P61 | V32-Y40 HydrophobicContact CG1-CD1 3.81Å; V32-Y40 HydrophobicContact CG1-CG 4.24Å; R33-Y40 WeakPolarHBondContact O-CA 3.41Å; K34-Y40 HydrophobicContact CB-CD1 4.3Å; K34-Y40 HydrophobicContact CB-CE1 4.12Å; K34-Y40 HydrophobicContact CD-CE1 4.07Å; K34-Y40 HydrophobicContact CG-CD1 4.4Å; K34-Y40 HydrophobicContact CG-CE1 3.93Å; Y40-T57 CarbonylContact O-C 3.52Å; Y40-T57 WeakPolarHBondContact O-CA 3.39Å; Y40-F58 PolarHBondContact N-O 3.05Å; Y40-F58 PolarHBondContact O-N 3.13Å; Y40-D59 WeakPolarHBondContact CD2-O 3.42Å; Y40-D59 WeakPolarHBondContact CE2-O 3.34Å; Y40-P61 HydrophobicContact CD1-CB 3.86Å; Y40-P61 HydrophobicContact CD2-CB 4.44Å; Y40-P61 HydrophobicContact CE1-CB 3.75Å; Y40-P61 HydrophobicContact CE1-CG 4.31Å; Y40-P61 HydrophobicContact CE2-CB 4.35Å; Y40-P61 HydrophobicContact CE2-CG 4.35Å; Y40-P61 HydrophobicContact CG-CB 4.21Å |
| 41 | A | 92.8 | Very high | 89.9 | Confident | 9 Ų | 9 | 89 Ų | 89 | 7% | 0.074 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 143.1 | 175 | 0 | 0 | 0 | 0 | 0 | 110.1 | R33 T57 | R33-A41 HydrophobicContact CG-CB 3.96Å; R33-A41 PolarHBondContact N-O 3.07Å; R33-A41 PolarHBondContact O-N 2.99Å; A41-T57 HydrophobicContact CB-CG2 4.15Å |
| 42 | T | 93.7 | Very high | 90 | Very high | 2 Ų | 2 | 95.6 Ų | 95.6 | 1% | 0.012 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 135.5 | 175.3 | -178.5 | 0 | 0 | 0 | 0 | 111.6 | G31 L55 G56 F58 A64 A67 | G31-T42 WeakPolarHBondContact O-CA 3.49Å; G31-T42 PolarHBondContact O-OG1 3.41Å; T42-L55 HydrophobicContact CG2-CB 3.87Å; T42-L55 HydrophobicContact CG2-CD1 4.34Å; T42-L55 WeakPolarHBondContact O-CB 3.29Å; T42-L55 PolarHBondContact O-N 3.26Å; T42-G56 PolarHBondContact N-O 2.94Å; T42-G56 PolarHBondContact O-N 2.89Å; T42-F58 HydrophobicContact CG2-CD2 3.56Å; T42-F58 HydrophobicContact CG2-CE2 3.22Å; T42-F58 HydrophobicContact CG2-CZ 4.4Å; T42-A64 HydrophobicContact CG2-CB 4.27Å; T42-A64 PolarHBondContact OG1-O 3.01Å; T42-A67 HydrophobicContact CG2-CB 4.16Å |
| 43 | E | 92.6 | Very high | 90 | Very high | 61 Ų | 61 | 97.8 Ų | 97.8 | 29% | 0.285 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 152.4 | 179.2 | 67.3 | -178.9 | -138.6 | 0 | 0 | 109.3 | R52 V53 Y68 | E43-R52 IonicContact OE1-NH1 3.02Å; E43-R52 PolarHBondContact OE1-NH1 3.26Å; E43-V53 CarbonylContact C-O 3.57Å; E43-V53 VanDerWaalsContact CA-O 3.29Å; E43-V53 WeakPolarHBondContact CA-O 3.46Å; E43-V53 WeakPolarHBondContact CB-O 3.15Å; E43-Y68 VanDerWaalsContact O-CE2 3.27Å; E43-Y68 WeakPolarHBondContact O-CE2 3.39Å |
| 44 | I | 91.7 | Very high | 89.9 | Confident | 8 Ų | 8 | 99 Ų | 99 | 4% | 0.041 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 140.4 | 177.9 | -169.3 | 156.3 | 0 | 0 | 0 | 111 | R52 V53 L55 Y68 A71 A72 L75 | I44-R52 WeakPolarHBondContact O-CA 3.33Å; I44-V53 HydrophobicContact CG2-CB 3.87Å; I44-V53 PolarHBondContact N-O 3.36Å; I44-V53 PolarHBondContact O-N 3.45Å; I44-L55 HydrophobicContact CB-CD1 4.25Å; I44-L55 HydrophobicContact CG2-CD1 4.33Å; I44-L55 HydrophobicContact CG2-CD2 3.93Å; I44-L55 HydrophobicContact CG2-CG 4.22Å; I44-Y68 HydrophobicContact CB-CD2 4.43Å; I44-Y68 HydrophobicContact CB-CE2 4.07Å; I44-Y68 HydrophobicContact CD1-CE2 4.28Å; I44-Y68 HydrophobicContact CG1-CE2 4.07Å; I44-A71 HydrophobicContact CD1-CB 3.96Å; I44-A71 HydrophobicContact CG2-CB 4.31Å; I44-A72 HydrophobicContact CD1-CB 3.99Å; I44-L75 HydrophobicContact CB-CD1 4.31Å; I44-L75 HydrophobicContact CD1-CD1 3.45Å; I44-L75 VanDerWaalsContact CD1-CD1 3.45Å; I44-L75 HydrophobicContact CD1-CG 4.47Å; I44-L75 HydrophobicContact CG1-CD1 3.68Å; I44-L75 HydrophobicContact CG2-CD1 3.68Å |
| 45 | R | 91.7 | Very high | 90 | Very high | 162 Ų | 162 | 95.3 Ų | 95.3 | 61% | 0.611 | 44% | 0.436 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 125.4 | 178.3 | -179.8 | 177.6 | -179.8 | -106.7 | 0.2 | 110 | ||
| 46 | D | 86.8 | Confident | 90.2 | Very high | 20 Ų | 20 | 91.7 Ų | 91.7 | 11% | 0.107 | 43% | 0.425 | C | S | . | . | trans | -95.1 | 127.4 | 172.6 | -73.4 | -32.5 | 0 | 0 | 0 | 111.2 | W48 K49 K50 T51 L75 | D46-W48 VanDerWaalsContact C-N 3.27Å; D46-W48 PolarHBondContact O-N 3.3Å; D46-K49 HydrophobicContact CB-CB 4.01Å; D46-K49 HydrophobicContact CB-CG 4.44Å; D46-K50 WeakPolarHBondContact O-CA 3.49Å; D46-K50 PolarHBondContact O-N 2.84Å; D46-T51 PolarHBondContact N-O 3.04Å; D46-L75 WeakPolarHBondContact OD1-CD1 3.32Å | ||
| 47 | P | 84.7 | Confident | 90.5 | Very high | 96 Ų | 96 | 87.4 Ų | 87.4 | 62% | 0.623 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -31.1 | 175.7 | 28 | -33.4 | 0 | 0 | 0 | 111.8 | ||
| 48 | W | 85.6 | Confident | 90.8 | Very high | 234 Ų | 234 | 79.3 Ų | 79.3 | 89% | 0.886 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -54.4 | -178.5 | -171.3 | -103.9 | 0 | 0 | 0 | 112.2 | D46 K50 | D46-W48 VanDerWaalsContact C-N 3.27Å; D46-W48 PolarHBondContact O-N 3.3Å; W48-K50 VanDerWaalsContact C-N 3.28Å; W48-K50 PolarHBondContact O-N 3.45Å |
| 49 | K | 86.6 | Confident | 91 | Very high | 137 Ų | 137 | 82.6 Ų | 82.6 | 60% | 0.596 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -18.6 | -178.4 | -62.5 | -179.2 | 179.6 | 172.6 | 0 | 113 | D46 T51 | D46-K49 HydrophobicContact CB-CB 4.01Å; D46-K49 HydrophobicContact CB-CG 4.44Å; K49-T51 PolarHBondContact O-N 2.89Å; K49-T51 PolarHBondContact O-OG1 2.86Å; K49-T51 VanDerWaalsContact O-OG1 3.13Å |
| 50 | K | 88.1 | Confident | 91.1 | Very high | 171 Ų | 171 | 81.3 Ų | 81.3 | 74% | 0.743 | 38% | 0.379 | S | S | * | . | trans | 55.8 | 12.6 | -173 | -58.2 | 176.1 | -177.5 | 175.2 | 0 | 114.1 | D46 W48 | D46-K50 WeakPolarHBondContact O-CA 3.49Å; D46-K50 PolarHBondContact O-N 2.84Å; W48-K50 VanDerWaalsContact C-N 3.28Å; W48-K50 PolarHBondContact O-N 3.45Å | ||
| 51 | T | 88.6 | Confident | 91 | Very high | 79 Ų | 79 | 81 Ų | 81 | 49% | 0.485 | 38% | 0.383 | S | S | . | . | trans | -97.8 | 147 | -179.7 | -51.4 | 0 | 0 | 0 | 0 | 110.1 | D46 K49 | D46-T51 PolarHBondContact N-O 3.04Å; K49-T51 PolarHBondContact O-N 2.89Å; K49-T51 PolarHBondContact O-OG1 2.86Å; K49-T51 VanDerWaalsContact O-OG1 3.13Å | ||
| 52 | R | 91.8 | Very high | 91 | Very high | 169 Ų | 169 | 83.4 Ų | 83.4 | 64% | 0.638 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 131.9 | 168.7 | -59.8 | -178.7 | -174.6 | -141.5 | 9 | 108.6 | E43 I44 | E43-R52 IonicContact OE1-NH1 3.02Å; E43-R52 PolarHBondContact OE1-NH1 3.26Å; I44-R52 WeakPolarHBondContact O-CA 3.33Å |
| 53 | V | 90.4 | Very high | 91 | Very high | 65 Ų | 65 | 87.5 Ų | 87.5 | 39% | 0.394 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 118.3 | 175.3 | -179.1 | 0 | 0 | 0 | 0 | 107.6 | E43 I44 L55 | E43-V53 CarbonylContact C-O 3.57Å; E43-V53 VanDerWaalsContact CA-O 3.29Å; E43-V53 WeakPolarHBondContact CA-O 3.46Å; E43-V53 WeakPolarHBondContact CB-O 3.15Å; I44-V53 HydrophobicContact CG2-CB 3.87Å; I44-V53 PolarHBondContact N-O 3.36Å; I44-V53 PolarHBondContact O-N 3.45Å; V53-L55 HydrophobicContact CG1-CD2 4.41Å |
| 54 | W | 91.9 | Very high | 91 | Very high | 133 Ų | 133 | 84.6 Ų | 84.6 | 50% | 0.504 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 123.7 | 172.4 | 176.4 | 51.5 | 0 | 0 | 0 | 109 | G56 T57 L180 | W54-G56 PolarHBondContact NE1-O 2.95Å; W54-T57 HydrophobicContact CZ2-CG2 4.24Å; W54-L180 HydrophobicContact CH2-CD1 3.4Å; W54-L180 VanDerWaalsContact CH2-CD1 3.4Å; W54-L180 HydrophobicContact CZ2-CD1 3.56Å; W54-L180 HydrophobicContact CZ3-CD1 4.4Å |
| 55 | L | 92.6 | Very high | 91.1 | Very high | 54 Ų | 54 | 84.2 Ų | 84.2 | 28% | 0.283 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | -33.9 | -177.5 | -61.3 | 177.1 | 0 | 0 | 0 | 111.5 | T42 I44 V53 Y68 A71 | T42-L55 HydrophobicContact CG2-CB 3.87Å; T42-L55 HydrophobicContact CG2-CD1 4.34Å; T42-L55 WeakPolarHBondContact O-CB 3.29Å; T42-L55 PolarHBondContact O-N 3.26Å; I44-L55 HydrophobicContact CB-CD1 4.25Å; I44-L55 HydrophobicContact CG2-CD1 4.33Å; I44-L55 HydrophobicContact CG2-CD2 3.93Å; I44-L55 HydrophobicContact CG2-CG 4.22Å; V53-L55 HydrophobicContact CG1-CD2 4.41Å; L55-Y68 HydrophobicContact CD1-CD2 4.22Å; L55-A71 HydrophobicContact CD1-CB 3.68Å; L55-A71 HydrophobicContact CD2-CB 3.58Å; L55-A71 HydrophobicContact CG-CB 4.29Å |
| 56 | G | 93.8 | Very high | 91.2 | Very high | 11 Ų | 11 | 79.8 Ų | 79.8 | 11% | 0.113 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 152.8 | -174.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | T42 W54 | T42-G56 PolarHBondContact N-O 2.94Å; T42-G56 PolarHBondContact O-N 2.89Å; W54-G56 PolarHBondContact NE1-O 2.95Å |
| 57 | T | 94.7 | Very high | 91.5 | Very high | 45 Ų | 45 | 80 Ų | 80 | 28% | 0.276 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 133.1 | 170.9 | 54.6 | 0 | 0 | 0 | 0 | 108.7 | Y40 A41 W54 | Y40-T57 CarbonylContact O-C 3.52Å; Y40-T57 WeakPolarHBondContact O-CA 3.39Å; A41-T57 HydrophobicContact CB-CG2 4.15Å; W54-T57 HydrophobicContact CZ2-CG2 4.24Å |
| 58 | F | 93.9 | Very high | 91.9 | Very high | 37 Ų | 37 | 76 Ų | 76 | 16% | 0.162 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 155.2 | -173.9 | -58.9 | -84.4 | 0 | 0 | 0 | 109.8 | Y40 T42 E63 A64 A67 | Y40-F58 PolarHBondContact N-O 3.05Å; Y40-F58 PolarHBondContact O-N 3.13Å; T42-F58 HydrophobicContact CG2-CD2 3.56Å; T42-F58 HydrophobicContact CG2-CE2 3.22Å; T42-F58 HydrophobicContact CG2-CZ 4.4Å; F58-E63 HydrophobicContact CB-CB 4.38Å; F58-E63 HydrophobicContact CB-CG 4.41Å; F58-E63 HydrophobicContact CD1-CB 4.32Å; F58-E63 VanDerWaalsContact CD1-CD 3.4Å; F58-E63 HydrophobicContact CD1-CG 3.51Å; F58-E63 HydrophobicContact CE1-CG 4.05Å; F58-E63 HydrophobicContact CG-CG 4.17Å; F58-A64 HydrophobicContact CB-CB 4Å; F58-A64 HydrophobicContact CD2-CB 3.79Å; F58-A64 HydrophobicContact CG-CB 4.16Å; F58-A67 HydrophobicContact CE1-CB 4.27Å; F58-A67 HydrophobicContact CE2-CB 3.65Å; F58-A67 HydrophobicContact CZ-CB 3.45Å; F58-A67 VanDerWaalsContact CZ-CB 3.45Å |
| 59 | D | 93.5 | Very high | 92.3 | Very high | 104 Ų | 104 | 65 Ų | 65 | 56% | 0.556 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -86.5 | -24.4 | -178.2 | -56.4 | -40.2 | 0 | 0 | 0 | 111.2 | R39 Y40 | R39-D59 IonicContact CZ-OD1 3.27Å; R39-D59 VanDerWaalsContact CZ-OD1 3.27Å; R39-D59 IonicContact NE-OD1 2.84Å; R39-D59 PolarHBondContact NE-OD1 3.38Å; R39-D59 IonicContact NH2-OD1 2.86Å; R39-D59 PolarHBondContact NH2-OD1 3.4Å; R39-D59 IonicContact NH2-OD2 3.68Å; Y40-D59 WeakPolarHBondContact CD2-O 3.42Å; Y40-D59 WeakPolarHBondContact CE2-O 3.34Å |
| 60 | T | 93.9 | Very high | 92.5 | Very high | 64 Ų | 64 | 61.8 Ų | 61.8 | 39% | 0.393 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -109.7 | 145.5 | 175.4 | 75.3 | 0 | 0 | 0 | 0 | 112.2 | V62 E63 A64 | T60-V62 VanDerWaalsContact C-N 3.27Å; T60-V62 PolarHBondContact O-N 3.41Å; T60-E63 WeakPolarHBondContact OG1-CB 3.34Å; T60-E63 PolarHBondContact OG1-N 3.28Å; T60-E63 VanDerWaalsContact OG1-N 3.1Å; T60-A64 PolarHBondContact O-N 2.86Å |
| 61 | P | 92.3 | Very high | 92.7 | Very high | 39 Ų | 39 | 54.4 Ų | 54.4 | 25% | 0.253 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -69.3 | -29.6 | 176.4 | 28.3 | -33.5 | 0 | 0 | 0 | 111.9 | Y29 Y40 A65 | Y29-P61 HydrophobicContact CD2-CB 3.87Å; Y29-P61 HydrophobicContact CE2-CB 3.87Å; Y29-P61 HydrophobicContact CE2-CG 4.25Å; Y40-P61 HydrophobicContact CD1-CB 3.86Å; Y40-P61 HydrophobicContact CD2-CB 4.44Å; Y40-P61 HydrophobicContact CE1-CB 3.75Å; Y40-P61 HydrophobicContact CE1-CG 4.31Å; Y40-P61 HydrophobicContact CE2-CB 4.35Å; Y40-P61 HydrophobicContact CE2-CG 4.35Å; Y40-P61 HydrophobicContact CG-CB 4.21Å; P61-A65 WeakPolarHBondContact O-CB 3.27Å; P61-A65 PolarHBondContact O-N 3.39Å |
| 62 | V | 92.7 | Very high | 92.9 | Very high | 60 Ų | 60 | 50.9 Ų | 50.9 | 36% | 0.364 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -67.4 | -47.5 | 179.1 | 177.6 | 0 | 0 | 0 | 0 | 110.6 | Y29 T60 A65 L66 F84 | Y29-V62 HydrophobicContact CE2-CG2 4.44Å; T60-V62 VanDerWaalsContact C-N 3.27Å; T60-V62 PolarHBondContact O-N 3.41Å; V62-A65 WeakPolarHBondContact O-CB 3.32Å; V62-A65 PolarHBondContact O-N 3.12Å; V62-L66 HydrophobicContact CG1-CD1 4.28Å; V62-L66 WeakPolarHBondContact O-CG 3.15Å; V62-L66 PolarHBondContact O-N 3.45Å; V62-F84 HydrophobicContact CG1-CE1 4.45Å; V62-F84 HydrophobicContact CG1-CZ 3.86Å |
| 63 | E | 92.8 | Very high | 92.8 | Very high | 89 Ų | 89 | 45.9 Ų | 45.9 | 42% | 0.416 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -63.6 | -42.4 | 177.2 | -172.9 | -175.7 | -171.7 | 0 | 0 | 111.8 | F58 T60 A65 L66 A67 | F58-E63 HydrophobicContact CB-CB 4.38Å; F58-E63 HydrophobicContact CB-CG 4.41Å; F58-E63 HydrophobicContact CD1-CB 4.32Å; F58-E63 VanDerWaalsContact CD1-CD 3.4Å; F58-E63 HydrophobicContact CD1-CG 3.51Å; F58-E63 HydrophobicContact CE1-CG 4.05Å; F58-E63 HydrophobicContact CG-CG 4.17Å; T60-E63 WeakPolarHBondContact OG1-CB 3.34Å; T60-E63 PolarHBondContact OG1-N 3.28Å; T60-E63 VanDerWaalsContact OG1-N 3.1Å; E63-A65 VanDerWaalsContact C-N 3.27Å; E63-A65 PolarHBondContact O-N 3.24Å; E63-L66 PolarHBondContact O-N 2.89Å; E63-A67 PolarHBondContact O-N 2.77Å |
| 64 | A | 93.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58.5 | -40.3 | 174 | 0 | 0 | 0 | 0 | 0 | 112.4 | V32 T42 F58 T60 Y68 | V32-A64 HydrophobicContact CB-CB 4.38Å; V32-A64 HydrophobicContact CG1-CB 3.81Å; V32-A64 HydrophobicContact CG2-CB 3.66Å; T42-A64 HydrophobicContact CG2-CB 4.27Å; T42-A64 PolarHBondContact OG1-O 3.01Å; F58-A64 HydrophobicContact CB-CB 4Å; F58-A64 HydrophobicContact CD2-CB 3.79Å; F58-A64 HydrophobicContact CG-CB 4.16Å; T60-A64 PolarHBondContact O-N 2.86Å; A64-Y68 PolarHBondContact O-N 3.02Å; A64-Y68 VanDerWaalsContact O-N 3.1Å |
| 65 | A | 93 | Very high | 92.5 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -70.6 | -35.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y29 V32 P61 V62 E63 Y68 D69 N83 F84 | Y29-A65 HydrophobicContact CD1-CB 4.05Å; Y29-A65 HydrophobicContact CD2-CB 4.34Å; Y29-A65 HydrophobicContact CG-CB 3.76Å; V32-A65 HydrophobicContact CG2-CB 4Å; P61-A65 WeakPolarHBondContact O-CB 3.27Å; P61-A65 PolarHBondContact O-N 3.39Å; V62-A65 WeakPolarHBondContact O-CB 3.32Å; V62-A65 PolarHBondContact O-N 3.12Å; E63-A65 VanDerWaalsContact C-N 3.27Å; E63-A65 PolarHBondContact O-N 3.24Å; A65-Y68 WeakPolarHBondContact O-CB 3.32Å; A65-Y68 PolarHBondContact O-N 2.88Å; A65-D69 VanDerWaalsContact O-CG 3.3Å; A65-D69 PolarHBondContact O-N 3.06Å; A65-N83 HydrophobicContact CB-CB 4.37Å; A65-F84 HydrophobicContact CB-CE2 3.53Å; A65-F84 HydrophobicContact CB-CZ 3.96Å |
| 66 | L | 93.4 | Very high | 92.3 | Very high | 68 Ų | 68 | 49.5 Ų | 49.5 | 36% | 0.356 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -66.2 | -43.1 | 173.8 | -73.2 | 170.5 | 0 | 0 | 0 | 111.5 | V62 E63 Y68 D69 C70 F84 | V62-L66 HydrophobicContact CG1-CD1 4.28Å; V62-L66 WeakPolarHBondContact O-CG 3.15Å; V62-L66 PolarHBondContact O-N 3.45Å; E63-L66 PolarHBondContact O-N 2.89Å; L66-Y68 VanDerWaalsContact C-N 3.27Å; L66-Y68 PolarHBondContact O-N 3.37Å; L66-D69 PolarHBondContact O-N 2.75Å; L66-C70 PolarHBondContact O-N 3.32Å; L66-C70 PolarHBondContact O-SG 2.97Å; L66-C70 VanDerWaalsContact O-SG 3.35Å; L66-F84 HydrophobicContact CD2-CD2 3.47Å; L66-F84 VanDerWaalsContact CD2-CD2 3.47Å; L66-F84 HydrophobicContact CD2-CE2 3.78Å; L66-F84 HydrophobicContact CD2-CG 4.21Å; L66-F84 HydrophobicContact CG-CD2 3.99Å; L66-F84 HydrophobicContact CG-CE2 3.75Å |
| 67 | A | 93.1 | Very high | 92 | Very high | 25 Ų | 25 | 50.5 Ų | 50.5 | 21% | 0.207 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59.6 | -41.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | T42 F58 E63 A71 | T42-A67 HydrophobicContact CG2-CB 4.16Å; F58-A67 HydrophobicContact CE1-CB 4.27Å; F58-A67 HydrophobicContact CE2-CB 3.65Å; F58-A67 HydrophobicContact CZ-CB 3.45Å; F58-A67 VanDerWaalsContact CZ-CB 3.45Å; E63-A67 PolarHBondContact O-N 2.77Å; A67-A71 PolarHBondContact O-N 3.05Å; A67-A71 VanDerWaalsContact O-N 3.1Å |
| 68 | Y | 94 | Very high | 91.4 | Very high | 13 Ų | 13 | 53.7 Ų | 53.7 | 5% | 0.051 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.3 | -44 | 173.9 | -172.4 | -100.6 | 0 | 0 | 0 | 112.7 | R30 E43 I44 L55 A64 A65 L66 A71 A72 | R30-Y68 HydrophobicContact CB-CE1 4.18Å; R30-Y68 HydrophobicContact CG-CD1 4.49Å; R30-Y68 HydrophobicContact CG-CE1 3.64Å; R30-Y68 PolarHBondContact NE-OH 3.15Å; R30-Y68 PolarHBondContact NH1-OH 2.71Å; R30-Y68 VanDerWaalsContact NH1-OH 3.14Å; R30-Y68 PolarHBondContact NH2-OH 3.25Å; R30-Y68 WeakPolarHBondContact O-CD1 3.4Å; E43-Y68 VanDerWaalsContact O-CE2 3.27Å; E43-Y68 WeakPolarHBondContact O-CE2 3.39Å; I44-Y68 HydrophobicContact CB-CD2 4.43Å; I44-Y68 HydrophobicContact CB-CE2 4.07Å; I44-Y68 HydrophobicContact CD1-CE2 4.28Å; I44-Y68 HydrophobicContact CG1-CE2 4.07Å; L55-Y68 HydrophobicContact CD1-CD2 4.22Å; A64-Y68 PolarHBondContact O-N 3.02Å; A64-Y68 VanDerWaalsContact O-N 3.1Å; A65-Y68 WeakPolarHBondContact O-CB 3.32Å; A65-Y68 PolarHBondContact O-N 2.88Å; L66-Y68 VanDerWaalsContact C-N 3.27Å; L66-Y68 PolarHBondContact O-N 3.37Å; Y68-A71 PolarHBondContact O-N 3.41Å; Y68-A72 VanDerWaalsContact O-CB 3.29Å; Y68-A72 WeakPolarHBondContact O-CB 3.47Å; Y68-A72 PolarHBondContact O-N 3.4Å |
| 69 | D | 92.9 | Very high | 91 | Very high | 3 Ų | 3 | 61.1 Ų | 61.1 | 2% | 0.016 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -66.4 | -40.7 | -179.6 | -75 | -9.9 | 0 | 0 | 0 | 112.4 | A65 L66 A72 R73 T82 N83 F84 | A65-D69 VanDerWaalsContact O-CG 3.3Å; A65-D69 PolarHBondContact O-N 3.06Å; L66-D69 PolarHBondContact O-N 2.75Å; D69-A72 PolarHBondContact O-N 3.38Å; D69-R73 VanDerWaalsContact O-CG 3.29Å; D69-R73 WeakPolarHBondContact O-CG 3.29Å; D69-R73 PolarHBondContact O-N 2.86Å; D69-T82 HydrophobicContact CB-CG2 3.75Å; D69-T82 WeakPolarHBondContact OD1-CA 3.01Å; D69-T82 VanDerWaalsContact OD1-CB 3.28Å; D69-T82 WeakPolarHBondContact OD1-CB 3.23Å; D69-N83 VanDerWaalsContact CG-N 3.28Å; D69-N83 PolarHBondContact OD1-N 3.2Å; D69-N83 PolarHBondContact OD1-ND2 3.17Å; D69-N83 PolarHBondContact OD2-N 3.1Å; D69-F84 VanDerWaalsContact OD2-CD2 3.27Å; D69-F84 WeakPolarHBondContact OD2-CD2 3.38Å; D69-F84 PolarHBondContact OD2-N 3Å |
| 70 | C | 92 | Very high | 90.7 | Very high | 68 Ų | 68 | 56.8 Ų | 56.8 | 46% | 0.459 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -57.5 | -51.8 | 172.4 | -71.9 | 0 | 0 | 0 | 0 | 110.9 | L66 A72 R73 T74 | L66-C70 PolarHBondContact O-N 3.32Å; L66-C70 PolarHBondContact O-SG 2.97Å; L66-C70 VanDerWaalsContact O-SG 3.35Å; C70-A72 VanDerWaalsContact C-N 3.34Å; C70-A72 PolarHBondContact O-N 3.42Å; C70-R73 PolarHBondContact O-N 3.42Å; C70-T74 PolarHBondContact O-N 2.91Å; C70-T74 VanDerWaalsContact O-N 3.1Å; C70-T74 PolarHBondContact O-OG1 3.02Å |
| 71 | A | 92.3 | Very high | 90.4 | Very high | 17 Ų | 17 | 60.5 Ų | 60.5 | 14% | 0.14 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -63 | -40.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | I44 L55 A67 Y68 R73 T74 L75 | I44-A71 HydrophobicContact CD1-CB 3.96Å; I44-A71 HydrophobicContact CG2-CB 4.31Å; L55-A71 HydrophobicContact CD1-CB 3.68Å; L55-A71 HydrophobicContact CD2-CB 3.58Å; L55-A71 HydrophobicContact CG-CB 4.29Å; A67-A71 PolarHBondContact O-N 3.05Å; A67-A71 VanDerWaalsContact O-N 3.1Å; Y68-A71 PolarHBondContact O-N 3.41Å; A71-R73 VanDerWaalsContact C-N 3.32Å; A71-R73 PolarHBondContact O-N 3.2Å; A71-T74 PolarHBondContact O-N 3.23Å; A71-L75 WeakPolarHBondContact O-CG 3.34Å; A71-L75 PolarHBondContact O-N 2.99Å |
| 72 | A | 91.7 | Very high | 90.3 | Very high | 4 Ų | 4 | 60.7 Ų | 60.7 | 3% | 0.033 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63.1 | -38.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | I44 Y68 D69 C70 L75 R76 A80 | I44-A72 HydrophobicContact CD1-CB 3.99Å; Y68-A72 VanDerWaalsContact O-CB 3.29Å; Y68-A72 WeakPolarHBondContact O-CB 3.47Å; Y68-A72 PolarHBondContact O-N 3.4Å; D69-A72 PolarHBondContact O-N 3.38Å; C70-A72 VanDerWaalsContact C-N 3.34Å; C70-A72 PolarHBondContact O-N 3.42Å; A72-L75 PolarHBondContact O-N 3.14Å; A72-R76 WeakPolarHBondContact O-CB 3.24Å; A72-R76 PolarHBondContact O-N 3.45Å; A72-A80 VanDerWaalsContact C-CB 3.48Å; A72-A80 HydrophobicContact CB-CB 4.11Å; A72-A80 VanDerWaalsContact O-CB 3.24Å; A72-A80 WeakPolarHBondContact O-CB 3.36Å |
| 73 | R | 90.2 | Very high | 90.2 | Very high | 64 Ų | 64 | 60.1 Ų | 60.1 | 24% | 0.242 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -66.1 | -39.9 | 174.1 | -70.9 | 173.8 | -162.8 | -156.8 | 4.7 | 111.7 | D69 C70 A71 L75 G77 A80 T82 A89 | D69-R73 VanDerWaalsContact O-CG 3.29Å; D69-R73 WeakPolarHBondContact O-CG 3.29Å; D69-R73 PolarHBondContact O-N 2.86Å; C70-R73 PolarHBondContact O-N 3.42Å; A71-R73 VanDerWaalsContact C-N 3.32Å; A71-R73 PolarHBondContact O-N 3.2Å; R73-L75 VanDerWaalsContact C-N 3.35Å; R73-G77 CarbonylContact O-C 3.57Å; R73-G77 WeakPolarHBondContact O-CA 3.29Å; R73-G77 PolarHBondContact O-N 2.92Å; R73-A80 HydrophobicContact CG-CB 4.18Å; R73-T82 HydrophobicContact CG-CG2 4.18Å; R73-A89 VanDerWaalsContact CZ-CB 3.46Å |
| 74 | T | 89.5 | Confident | 90 | Very high | 121 Ų | 121 | 57.5 Ų | 57.5 | 74% | 0.742 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -65.6 | -37.5 | 175.8 | -53.2 | 0 | 0 | 0 | 0 | 112.2 | C70 A71 | C70-T74 PolarHBondContact O-N 2.91Å; C70-T74 VanDerWaalsContact O-N 3.1Å; C70-T74 PolarHBondContact O-OG1 3.02Å; A71-T74 PolarHBondContact O-N 3.23Å |
| 75 | L | 87.2 | Confident | 89.4 | Confident | 69 Ų | 69 | 61.1 Ų | 61.1 | 36% | 0.361 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -84.8 | -36.2 | -175.8 | -65.8 | 173.8 | 0 | 0 | 0 | 114.2 | I44 D46 A71 A72 R73 | I44-L75 HydrophobicContact CB-CD1 4.31Å; I44-L75 HydrophobicContact CD1-CD1 3.45Å; I44-L75 VanDerWaalsContact CD1-CD1 3.45Å; I44-L75 HydrophobicContact CD1-CG 4.47Å; I44-L75 HydrophobicContact CG1-CD1 3.68Å; I44-L75 HydrophobicContact CG2-CD1 3.68Å; D46-L75 WeakPolarHBondContact OD1-CD1 3.32Å; A71-L75 WeakPolarHBondContact O-CG 3.34Å; A71-L75 PolarHBondContact O-N 2.99Å; A72-L75 PolarHBondContact O-N 3.14Å; R73-L75 VanDerWaalsContact C-N 3.35Å |
| 76 | R | 87.8 | Confident | 88.1 | Confident | 138 Ų | 138 | 63.9 Ų | 63.9 | 52% | 0.521 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -109.5 | -10.7 | -176.7 | -157.4 | -179.4 | -58.4 | -170.9 | -5.5 | 113.7 | A72 A80 | A72-R76 WeakPolarHBondContact O-CB 3.24Å; A72-R76 PolarHBondContact O-N 3.45Å; R76-A80 HydrophobicContact CB-CB 4.08Å |
| 77 | G | 87.1 | Confident | 86.6 | Confident | 32 Ų | 32 | 65.7 Ų | 65.7 | 33% | 0.33 | 37% | 0.371 | S | S | . | . | G | 310 helix | trans | 80.7 | -159.4 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | R73 K79 A80 | R73-G77 CarbonylContact O-C 3.57Å; R73-G77 WeakPolarHBondContact O-CA 3.29Å; R73-G77 PolarHBondContact O-N 2.92Å; G77-K79 PolarHBondContact O-N 3.17Å; G77-K79 VanDerWaalsContact O-N 3.1Å; G77-A80 VanDerWaalsContact O-CB 3.29Å; G77-A80 WeakPolarHBondContact O-CB 3.09Å; G77-A80 PolarHBondContact O-N 2.89Å; G77-A80 VanDerWaalsContact O-N 3.11Å |
| 78 | A | 83.5 | Confident | 84.9 | Confident | 112 Ų | 112 | 69.7 Ų | 69.7 | 93% | 0.926 | 39% | 0.385 | S | S | * | . | G | 310 helix | trans | -60.6 | -22 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | A80 | A78-A80 VanDerWaalsContact C-N 3.27Å; A78-A80 PolarHBondContact O-N 2.96Å |
| 79 | K | 84.3 | Confident | 83.1 | Confident | 194 Ų | 194 | 69.9 Ų | 69.9 | 84% | 0.843 | 39% | 0.39 | S | S | * | . | G | 310 helix | trans | -90 | 16.9 | 179.3 | -57.8 | -178.1 | 73.2 | 171.1 | 0 | 113 | G77 | G77-K79 PolarHBondContact O-N 3.17Å; G77-K79 VanDerWaalsContact O-N 3.1Å |
| 80 | A | 88.3 | Confident | 81.5 | Confident | 12 Ų | 12 | 72.2 Ų | 72.2 | 10% | 0.099 | 41% | 0.409 | C | S | . | . | trans | -64.1 | 133.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | A72 R73 R76 G77 A78 T82 | A72-A80 VanDerWaalsContact C-CB 3.48Å; A72-A80 HydrophobicContact CB-CB 4.11Å; A72-A80 VanDerWaalsContact O-CB 3.24Å; A72-A80 WeakPolarHBondContact O-CB 3.36Å; R73-A80 HydrophobicContact CG-CB 4.18Å; R76-A80 HydrophobicContact CB-CB 4.08Å; G77-A80 VanDerWaalsContact O-CB 3.29Å; G77-A80 WeakPolarHBondContact O-CB 3.09Å; G77-A80 PolarHBondContact O-N 2.89Å; G77-A80 VanDerWaalsContact O-N 3.11Å; A78-A80 VanDerWaalsContact C-N 3.27Å; A78-A80 PolarHBondContact O-N 2.96Å; A80-T82 HydrophobicContact CB-CG2 4.25Å; A80-T82 PolarHBondContact O-N 3.37Å; A80-T82 VanDerWaalsContact O-N 3.17Å | ||
| 81 | K | 87.5 | Confident | 79.9 | Confident | 143 Ų | 143 | 74 Ų | 74 | 62% | 0.622 | 41% | 0.411 | S | S | * | . | trans | -75.8 | 105 | 171.7 | -172.9 | 172.2 | -176.2 | 176 | 0 | 109.2 | R30 | R30-K81 PolarHBondContact NH1-O 3.1Š| ||
| 82 | T | 90.7 | Very high | 78.6 | Confident | 43 Ų | 43 | 75.5 Ų | 75.5 | 26% | 0.264 | 42% | 0.423 | S | S | . | . | trans | -109 | 163.5 | -176.3 | 46.1 | 0 | 0 | 0 | 0 | 111.1 | D69 R73 A80 F84 | D69-T82 HydrophobicContact CB-CG2 3.75Å; D69-T82 WeakPolarHBondContact OD1-CA 3.01Å; D69-T82 VanDerWaalsContact OD1-CB 3.28Å; D69-T82 WeakPolarHBondContact OD1-CB 3.23Å; R73-T82 HydrophobicContact CG-CG2 4.18Å; A80-T82 HydrophobicContact CB-CG2 4.25Å; A80-T82 PolarHBondContact O-N 3.37Å; A80-T82 VanDerWaalsContact O-N 3.17Å; T82-F84 PolarHBondContact OG1-O 3.34Å | ||
| 83 | N | 90.2 | Very high | 77.3 | Confident | 48 Ų | 48 | 80.6 Ų | 80.6 | 26% | 0.257 | 45% | 0.447 | S | S | . | . | S | Bend | trans | -80.1 | -39.7 | 175.5 | -66.8 | -61.9 | 0 | 0 | 0 | 111.3 | Y29 R30 A65 D69 | Y29-N83 HydrophobicContact CD1-CB 4.33Å; R30-N83 WeakPolarHBondContact CA-OD1 3.38Å; R30-N83 WeakPolarHBondContact CB-OD1 3.33Å; R30-N83 PolarHBondContact N-OD1 2.83Å; R30-N83 PolarHBondContact O-ND2 2.95Å; A65-N83 HydrophobicContact CB-CB 4.37Å; D69-N83 VanDerWaalsContact CG-N 3.28Å; D69-N83 PolarHBondContact OD1-N 3.2Å; D69-N83 PolarHBondContact OD1-ND2 3.17Å; D69-N83 PolarHBondContact OD2-N 3.1Å |
| 84 | F | 87.2 | Confident | 76.2 | Confident | 34 Ų | 34 | 83 Ų | 83 | 15% | 0.149 | 46% | 0.461 | C | S | . | . | S | Bend | trans | -105 | 144.6 | -178.3 | -55.6 | -73.7 | 0 | 0 | 0 | 111.7 | Y29 V62 A65 L66 D69 T82 | Y29-F84 HydrophobicContact CD1-CZ 4.34Å; Y29-F84 HydrophobicContact CE1-CE1 4.17Å; Y29-F84 HydrophobicContact CE1-CZ 4Å; V62-F84 HydrophobicContact CG1-CE1 4.45Å; V62-F84 HydrophobicContact CG1-CZ 3.86Å; A65-F84 HydrophobicContact CB-CE2 3.53Å; A65-F84 HydrophobicContact CB-CZ 3.96Å; L66-F84 HydrophobicContact CD2-CD2 3.47Å; L66-F84 VanDerWaalsContact CD2-CD2 3.47Å; L66-F84 HydrophobicContact CD2-CE2 3.78Å; L66-F84 HydrophobicContact CD2-CG 4.21Å; L66-F84 HydrophobicContact CG-CD2 3.99Å; L66-F84 HydrophobicContact CG-CE2 3.75Å; D69-F84 VanDerWaalsContact OD2-CD2 3.27Å; D69-F84 WeakPolarHBondContact OD2-CD2 3.38Å; D69-F84 PolarHBondContact OD2-N 3Å; T82-F84 PolarHBondContact OG1-O 3.34Å |
| 85 | P | 82 | Confident | 75.3 | Confident | 76 Ų | 76 | 83.1 Ų | 83.1 | 49% | 0.494 | 45% | 0.453 | S | S | . | . | trans | -57.6 | 149.3 | 175 | 24.6 | -32.5 | 0 | 0 | 0 | 110.6 | D87 H88 | P85-D87 PolarHBondContact O-N 3.35Å; P85-H88 PolarHBondContact O-N 3.4Å; P85-H88 VanDerWaalsContact O-N 3.11Å | ||
| 86 | A | 65.9 | Low | 74.6 | Confident | 58 Ų | 58 | 88 Ų | 88 | 48% | 0.479 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -51.8 | -31.6 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | H88 A89 A90 | A86-H88 VanDerWaalsContact C-N 3.29Å; A86-H88 PolarHBondContact O-N 3.1Å; A86-A89 PolarHBondContact O-N 3.21Å; A86-A90 WeakPolarHBondContact O-CB 3.21Å; A86-A90 PolarHBondContact O-N 3.35Å |
| 87 | D | 60.8 | Low | 74 | Confident | 105 Ų | 105 | 86.8 Ų | 86.8 | 56% | 0.561 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -53.6 | -39.5 | -179.8 | -54.6 | -44.9 | 0 | 0 | 0 | 112.8 | P85 A89 Q91 | P85-D87 PolarHBondContact O-N 3.35Å; D87-A89 PolarHBondContact O-N 3.1Å; D87-Q91 WeakPolarHBondContact O-CA 3.3Å; D87-Q91 WeakPolarHBondContact O-CB 3.27Å; D87-Q91 WeakPolarHBondContact O-CG 3.37Å; D87-Q91 PolarHBondContact O-N 3.28Å |
| 88 | H | 57.5 | Low | 73.3 | Confident | 109 Ų | 109 | 94.1 Ų | 94.1 | 51% | 0.505 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -67.7 | -38.9 | -179.2 | -83.6 | -70.5 | 0 | 0 | 0 | 113.5 | P85 A86 A92 | P85-H88 PolarHBondContact O-N 3.4Å; P85-H88 VanDerWaalsContact O-N 3.11Å; A86-H88 VanDerWaalsContact C-N 3.29Å; A86-H88 PolarHBondContact O-N 3.1Å; H88-A92 WeakPolarHBondContact O-CB 3.46Å; H88-A92 PolarHBondContact O-N 3.43Å |
| 89 | A | 56.6 | Low | 72.5 | Confident | 18 Ų | 18 | 94.5 Ų | 94.5 | 15% | 0.149 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -86.7 | -26.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | R73 A86 D87 Q93 | R73-A89 VanDerWaalsContact CZ-CB 3.46Å; A86-A89 PolarHBondContact O-N 3.21Å; D87-A89 PolarHBondContact O-N 3.1Å; A89-Q93 WeakPolarHBondContact O-CB 3.27Å; A89-Q93 VanDerWaalsContact O-CG 3.23Å; A89-Q93 WeakPolarHBondContact O-CG 3.28Å; A89-Q93 PolarHBondContact O-N 3.43Å |
| 90 | A | 59.3 | Low | 71.7 | Confident | 51 Ų | 51 | 95 Ų | 95 | 42% | 0.421 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -66 | -45 | 166.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | A86 Q93 Q94 | A86-A90 WeakPolarHBondContact O-CB 3.21Å; A86-A90 PolarHBondContact O-N 3.35Å; A90-Q93 PolarHBondContact O-N 3.37Å; A90-Q94 WeakPolarHBondContact O-CB 3.37Å; A90-Q94 PolarHBondContact O-N 3.42Å |
| 91 | Q | 59.5 | Low | 70.5 | Confident | 105 Ų | 105 | 99.1 Ų | 99.1 | 49% | 0.491 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63 | -42.7 | 174.8 | -75.3 | 174.8 | -2.5 | 0 | 0 | 111.7 | D87 Q93 Q94 Q95 | D87-Q91 WeakPolarHBondContact O-CA 3.3Å; D87-Q91 WeakPolarHBondContact O-CB 3.27Å; D87-Q91 WeakPolarHBondContact O-CG 3.37Å; D87-Q91 PolarHBondContact O-N 3.28Å; Q91-Q93 PolarHBondContact O-N 2.96Å; Q91-Q94 PolarHBondContact O-N 2.99Å; Q91-Q95 WeakPolarHBondContact O-CA 3.5Å; Q91-Q95 WeakPolarHBondContact O-CB 3.38Å; Q91-Q95 PolarHBondContact O-N 2.96Å |
| 92 | A | 63.3 | Low | 69.3 | Low | 49 Ų | 49 | 94.8 Ų | 94.8 | 41% | 0.405 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.1 | -43.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | H88 R96 | H88-A92 WeakPolarHBondContact O-CB 3.46Å; H88-A92 PolarHBondContact O-N 3.43Å; A92-R96 WeakPolarHBondContact O-CG 3.11Å; A92-R96 PolarHBondContact O-N 2.81Å |
| 93 | Q | 66.1 | Low | 67.8 | Low | 112 Ų | 112 | 97 Ų | 97 | 52% | 0.523 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.5 | -46.2 | 175.6 | -73 | -73.7 | -51 | 0 | 0 | 111.7 | A89 A90 Q91 Q95 R96 Q97 | A89-Q93 WeakPolarHBondContact O-CB 3.27Å; A89-Q93 VanDerWaalsContact O-CG 3.23Å; A89-Q93 WeakPolarHBondContact O-CG 3.28Å; A89-Q93 PolarHBondContact O-N 3.43Å; A90-Q93 PolarHBondContact O-N 3.37Å; Q91-Q93 PolarHBondContact O-N 2.96Å; Q93-Q95 VanDerWaalsContact C-N 3.3Å; Q93-Q95 PolarHBondContact O-N 2.86Å; Q93-R96 CarbonylContact O-C 3.59Å; Q93-R96 PolarHBondContact O-N 3.43Å; Q93-Q97 WeakPolarHBondContact O-CG 3.37Å; Q93-Q97 PolarHBondContact O-N 3.1Å |
| 94 | Q | 66.9 | Low | 65.9 | Low | 115 Ų | 115 | 101.1 Ų | 101.1 | 54% | 0.537 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.4 | -37.2 | 177.6 | -170.9 | -177.4 | 7.8 | 0 | 0 | 110.8 | A90 Q91 Q97 R98 | A90-Q94 WeakPolarHBondContact O-CB 3.37Å; A90-Q94 PolarHBondContact O-N 3.42Å; Q91-Q94 PolarHBondContact O-N 2.99Å; Q94-Q97 CarbonylContact O-C 3.59Å; Q94-Q97 PolarHBondContact O-N 2.89Å; Q94-R98 WeakPolarHBondContact O-CB 3.28Å; Q94-R98 VanDerWaalsContact O-CG 3.26Å; Q94-R98 WeakPolarHBondContact O-CG 3.14Å; Q94-R98 PolarHBondContact O-N 2.86Å |
| 95 | Q | 70.5 | Confident | 64.3 | Low | 122 Ų | 122 | 107 Ų | 107 | 57% | 0.57 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -68.6 | -40.4 | 175.1 | -171.5 | 161.5 | 5.7 | 0 | 0 | 110.9 | Q91 Q93 Q97 R98 L99 | Q91-Q95 WeakPolarHBondContact O-CA 3.5Å; Q91-Q95 WeakPolarHBondContact O-CB 3.38Å; Q91-Q95 PolarHBondContact O-N 2.96Å; Q93-Q95 VanDerWaalsContact C-N 3.3Å; Q93-Q95 PolarHBondContact O-N 2.86Å; Q95-Q97 VanDerWaalsContact C-N 3.34Å; Q95-Q97 PolarHBondContact O-N 3.24Å; Q95-R98 PolarHBondContact O-N 3.19Å; Q95-L99 HydrophobicContact CG-CD1 4.16Å; Q95-L99 HydrophobicContact CG-CG 4.5Å; Q95-L99 WeakPolarHBondContact O-CB 3.29Å; Q95-L99 WeakPolarHBondContact O-CG 3.35Å; Q95-L99 PolarHBondContact O-N 2.8Å |
| 96 | R | 72.5 | Confident | 62.9 | Low | 172 Ų | 172 | 114 Ų | 114 | 65% | 0.649 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -62.4 | -40.4 | 170.5 | -71.4 | -174.5 | 96.5 | 158 | 8.5 | 112.1 | A92 Q93 R100 | A92-R96 WeakPolarHBondContact O-CG 3.11Å; A92-R96 PolarHBondContact O-N 2.81Å; Q93-R96 CarbonylContact O-C 3.59Å; Q93-R96 PolarHBondContact O-N 3.43Å; R96-R100 VanDerWaalsContact O-CB 3.3Å; R96-R100 WeakPolarHBondContact O-CB 3.49Å; R96-R100 VanDerWaalsContact O-CG 3.32Å; R96-R100 WeakPolarHBondContact O-CG 3.09Å; R96-R100 PolarHBondContact O-N 3.32Å |
| 97 | Q | 73.9 | Confident | 62.4 | Low | 113 Ų | 113 | 119.7 Ų | 119.7 | 53% | 0.528 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -67.1 | -41.5 | 175 | -71.6 | 179.9 | 4.6 | 0 | 0 | 111.7 | Q93 Q94 Q95 R100 L101 | Q93-Q97 WeakPolarHBondContact O-CG 3.37Å; Q93-Q97 PolarHBondContact O-N 3.1Å; Q94-Q97 CarbonylContact O-C 3.59Å; Q94-Q97 PolarHBondContact O-N 2.89Å; Q95-Q97 VanDerWaalsContact C-N 3.34Å; Q95-Q97 PolarHBondContact O-N 3.24Å; Q97-R100 PolarHBondContact O-N 3.03Å; Q97-L101 WeakPolarHBondContact O-CB 3.27Å; Q97-L101 VanDerWaalsContact O-CG 3.27Å; Q97-L101 WeakPolarHBondContact O-CG 3.49Å; Q97-L101 PolarHBondContact O-N 2.84Å |
| 98 | R | 73.7 | Confident | 62.4 | Low | 186 Ų | 186 | 119.8 Ų | 119.8 | 70% | 0.702 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -62.2 | -44.6 | 174.9 | -78.3 | -177 | 78.2 | -178.8 | 5 | 111.4 | Q94 Q95 R100 L101 A102 | Q94-R98 WeakPolarHBondContact O-CB 3.28Å; Q94-R98 VanDerWaalsContact O-CG 3.26Å; Q94-R98 WeakPolarHBondContact O-CG 3.14Å; Q94-R98 PolarHBondContact O-N 2.86Å; Q95-R98 PolarHBondContact O-N 3.19Å; R98-R100 VanDerWaalsContact C-N 3.33Å; R98-L101 PolarHBondContact O-N 3.31Å; R98-A102 VanDerWaalsContact O-CB 3.28Å; R98-A102 WeakPolarHBondContact O-CB 3.48Å; R98-A102 PolarHBondContact O-N 3.49Å |
| 99 | L | 66.6 | Low | 62.6 | Low | 120 Ų | 120 | 119.3 Ų | 119.3 | 63% | 0.628 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -69.6 | -30.7 | 176.6 | -67.1 | 171.3 | 0 | 0 | 0 | 112.1 | Q95 P103 | Q95-L99 HydrophobicContact CG-CD1 4.16Å; Q95-L99 HydrophobicContact CG-CG 4.5Å; Q95-L99 WeakPolarHBondContact O-CB 3.29Å; Q95-L99 WeakPolarHBondContact O-CG 3.35Å; Q95-L99 PolarHBondContact O-N 2.8Å; L99-P103 WeakPolarHBondContact O-CD 3.33Å |
| 100 | R | 67.5 | Low | 62.7 | Low | 203 Ų | 203 | 124.5 Ų | 124.5 | 77% | 0.766 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -70.5 | -33.1 | 171.6 | -84.2 | -175.6 | 171.5 | -173.4 | -2.4 | 113.3 | R96 Q97 R98 P103 | R96-R100 VanDerWaalsContact O-CB 3.3Å; R96-R100 WeakPolarHBondContact O-CB 3.49Å; R96-R100 VanDerWaalsContact O-CG 3.32Å; R96-R100 WeakPolarHBondContact O-CG 3.09Å; R96-R100 PolarHBondContact O-N 3.32Å; Q97-R100 PolarHBondContact O-N 3.03Å; R98-R100 VanDerWaalsContact C-N 3.33Å; R100-P103 VanDerWaalsContact O-CD 3.27Å; R100-P103 WeakPolarHBondContact O-CD 3.26Å |
| 101 | L | 63.1 | Low | 62.6 | Low | 99 Ų | 99 | 131.8 Ų | 131.8 | 52% | 0.518 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -92.4 | -16.3 | -179.7 | -67 | 167.7 | 0 | 0 | 0 | 113 | Q97 R98 P103 L104 | Q97-L101 WeakPolarHBondContact O-CB 3.27Å; Q97-L101 VanDerWaalsContact O-CG 3.27Å; Q97-L101 WeakPolarHBondContact O-CG 3.49Å; Q97-L101 PolarHBondContact O-N 2.84Å; R98-L101 PolarHBondContact O-N 3.31Å; L101-P103 VanDerWaalsContact C-N 3.32Å; L101-L104 HydrophobicContact CD2-CD1 4.03Å; L101-L104 WeakPolarHBondContact O-CB 3.07Å; L101-L104 PolarHBondContact O-N 3.33Å |
| 102 | A | 61.1 | Low | 62.4 | Low | 53 Ų | 53 | 133.2 Ų | 133.2 | 44% | 0.438 | 65% | 0.648 | S | S | . | * | G | 310 helix | trans | -54.5 | -35.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | R98 L104 | R98-A102 VanDerWaalsContact O-CB 3.28Å; R98-A102 WeakPolarHBondContact O-CB 3.48Å; R98-A102 PolarHBondContact O-N 3.49Å; A102-L104 PolarHBondContact O-N 2.98Å |
| 103 | P | 59.2 | Low | 62 | Low | 89 Ų | 89 | 135.2 Ų | 135.2 | 58% | 0.578 | 66% | 0.655 | S | S | * | * | G | 310 helix | trans | -69.4 | -20 | 177.3 | -14.9 | 29.7 | 0 | 0 | 0 | 113.2 | L99 R100 L101 | L99-P103 WeakPolarHBondContact O-CD 3.33Å; R100-P103 VanDerWaalsContact O-CD 3.27Å; R100-P103 WeakPolarHBondContact O-CD 3.26Å; L101-P103 VanDerWaalsContact C-N 3.32Å |
| 104 | L | 51.9 | Low | 61.4 | Low | 135 Ų | 135 | 133.7 Ų | 133.7 | 71% | 0.707 | 66% | 0.656 | S | S | * | * | G | 310 helix | trans | -84.6 | -11.7 | -175.2 | -60.3 | -178.2 | 0 | 0 | 0 | 113.6 | L101 A102 | L101-L104 HydrophobicContact CD2-CD1 4.03Å; L101-L104 WeakPolarHBondContact O-CB 3.07Å; L101-L104 PolarHBondContact O-N 3.33Å; A102-L104 PolarHBondContact O-N 2.98Å |
| 105 | L | 52.1 | Low | 60.2 | Low | 158 Ų | 158 | 137 Ų | 137 | 83% | 0.827 | 67% | 0.67 | S | S | * | * | G | 310 helix | trans | -102.6 | 0.1 | -177.3 | -91.5 | 137.7 | 0 | 0 | 0 | 113.9 | ||
| 106 | R | 54 | Low | 59.3 | Low | 222 Ų | 222 | 135 Ų | 135 | 84% | 0.838 | 68% | 0.682 | S | S | * | * | trans | -135 | 46.7 | -171.5 | -151.3 | 176.9 | 173.6 | -178.8 | -2.7 | 112.4 | P108 | R106-P108 WeakPolarHBondContact O-CD 3.41Š| ||
| 107 | Q | 55.6 | Low | 58.6 | Low | 178 Ų | 178 | 130.5 Ų | 130.5 | 83% | 0.832 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 117.7 | 156.3 | -67 | -162.1 | -67.6 | 0 | 0 | 107.5 | ||
| 108 | P | 58.9 | Low | 57.3 | Low | 106 Ų | 106 | 129.5 Ų | 129.5 | 69% | 0.688 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 141.1 | 169.4 | 26.8 | -31.5 | 0 | 0 | 0 | 108.3 | R106 | R106-P108 WeakPolarHBondContact O-CD 3.41Š|
| 109 | P | 63.1 | Low | 56.1 | Low | 99 Ų | 99 | 125.6 Ų | 125.6 | 64% | 0.643 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 142.4 | 173.6 | 25.8 | -33.6 | 0 | 0 | 0 | 108.9 | R111 | P109-R111 PolarHBondContact O-N 2.91Š|
| 110 | P | 58.8 | Low | 55.3 | Low | 127 Ų | 127 | 123.7 Ų | 123.7 | 83% | 0.825 | 68% | 0.676 | S | S | * | * | trans | -56.4 | 114.6 | 175.8 | 23.4 | -32 | 0 | 0 | 0 | 108.3 | H112 | P110-H112 PolarHBondContact O-N 3.29Š| ||
| 111 | R | 55.7 | Low | 54.3 | Low | 204 Ų | 204 | 121.7 Ų | 121.7 | 77% | 0.77 | 68% | 0.675 | S | S | * | * | trans | -83.3 | 101 | 174.1 | -74.1 | -174.7 | 163.8 | 176.9 | -5.3 | 107.2 | P109 V113 | P109-R111 PolarHBondContact O-N 2.91Å; R111-V113 PolarHBondContact O-N 3.24Å | ||
| 112 | H | 56.6 | Low | 53.8 | Low | 135 Ų | 135 | 120.2 Ų | 120.2 | 63% | 0.625 | 67% | 0.67 | S | S | * | * | trans | -67.5 | 114 | 165.4 | -130.6 | -137 | 0 | 0 | 0 | 108 | P110 D119 | P110-H112 PolarHBondContact O-N 3.29Å; H112-D119 IonicContact CE1-OD1 2.75Å; H112-D119 PolarHBondContact CE1-OD1 3.4Å; H112-D119 IonicContact CE1-OD2 3.52Å; H112-D119 IonicContact CG-OD1 3.9Å; H112-D119 IonicContact ND1-OD1 3Å; H112-D119 PolarHBondContact ND1-OD1 3.05Å; H112-D119 IonicContact NE2-OD1 3.54Å | ||
| 113 | V | 55 | Low | 53.4 | Low | 92 Ų | 92 | 124.5 Ų | 124.5 | 56% | 0.558 | 69% | 0.685 | S | S | * | * | trans | -113.1 | 105.3 | 170.4 | -91.6 | 0 | 0 | 0 | 0 | 106.9 | R111 V122 | R111-V113 PolarHBondContact O-N 3.24Å; V113-V122 HydrophobicContact CG2-CG2 4.39Å | ||
| 114 | S | 52.1 | Low | 52.8 | Low | 80 Ų | 80 | 124.1 Ų | 124.1 | 56% | 0.559 | 68% | 0.684 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -84 | 120.9 | 173.7 | -164.9 | 0 | 0 | 0 | 0 | 108.5 | ||
| 115 | F | 43.4 | Very low | 53 | Low | 185 Ų | 185 | 122 Ų | 122 | 81% | 0.811 | 68% | 0.679 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -119 | 117.6 | 172.5 | -160.2 | -91.8 | 0 | 0 | 0 | 108 | G117 V118 | F115-G117 PolarHBondContact O-N 3.4Å; F115-V118 PolarHBondContact O-N 2.82Å |
| 116 | G | 51.2 | Low | 53.1 | Low | 80 Ų | 80 | 117.7 Ų | 117.7 | 83% | 0.825 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 66.6 | 25.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | V118 | G116-V118 VanDerWaalsContact C-N 3.34Š|
| 117 | G | 57.1 | Low | 53.1 | Low | 76 Ų | 76 | 113.6 Ų | 113.6 | 78% | 0.784 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 80.7 | 12 | 179 | 0 | 0 | 0 | 0 | 0 | 114.7 | F115 | F115-G117 PolarHBondContact O-N 3.4Š|
| 118 | V | 47.7 | Very low | 52.5 | Low | 93 Ų | 93 | 114.7 Ų | 114.7 | 56% | 0.564 | 66% | 0.657 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -112.8 | 123.2 | 173.4 | -130.7 | 0 | 0 | 0 | 0 | 108.8 | F115 G116 V120 | F115-V118 PolarHBondContact O-N 2.82Å; G116-V118 VanDerWaalsContact C-N 3.34Å; V118-V120 PolarHBondContact O-N 2.82Å |
| 119 | D | 47.8 | Very low | 52 | Low | 103 Ų | 103 | 115.4 Ų | 115.4 | 55% | 0.551 | 65% | 0.651 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -80.5 | 109.2 | 171 | -94 | -44.5 | 0 | 0 | 0 | 109.6 | H112 | H112-D119 IonicContact CE1-OD1 2.75Å; H112-D119 PolarHBondContact CE1-OD1 3.4Å; H112-D119 IonicContact CE1-OD2 3.52Å; H112-D119 IonicContact CG-OD1 3.9Å; H112-D119 IonicContact ND1-OD1 3Å; H112-D119 PolarHBondContact ND1-OD1 3.05Å; H112-D119 IonicContact NE2-OD1 3.54Å |
| 120 | V | 48.6 | Very low | 51.3 | Low | 81 Ų | 81 | 116 Ų | 116 | 49% | 0.491 | 66% | 0.658 | S | S | . | * | trans | -105.9 | 116 | 176.9 | -172.7 | 0 | 0 | 0 | 0 | 108.1 | V118 V122 | V118-V120 PolarHBondContact O-N 2.82Å; V120-V122 VanDerWaalsContact C-N 3.32Å; V120-V122 HydrophobicContact CB-CG2 4.37Å; V120-V122 HydrophobicContact CG1-CG2 4.03Å; V120-V122 PolarHBondContact O-N 2.77Å | ||
| 121 | H | 47 | Very low | 50.5 | Low | 161 Ų | 161 | 115.8 Ų | 115.8 | 75% | 0.745 | 65% | 0.654 | S | S | * | * | trans | -69.7 | 92.7 | 168.6 | -166.2 | 126.7 | 0 | 0 | 0 | 108.3 | D123 | H121-D123 PolarHBondContact O-N 3.17Š| ||
| 122 | V | 52.8 | Low | 50.2 | Low | 68 Ų | 68 | 111.2 Ų | 111.2 | 41% | 0.412 | 65% | 0.652 | S | S | . | * | trans | -83.1 | 98 | 173.4 | -175.4 | 0 | 0 | 0 | 0 | 107.9 | V113 V120 C124 | V113-V122 HydrophobicContact CG2-CG2 4.39Å; V120-V122 VanDerWaalsContact C-N 3.32Å; V120-V122 HydrophobicContact CB-CG2 4.37Å; V120-V122 HydrophobicContact CG1-CG2 4.03Å; V120-V122 PolarHBondContact O-N 2.77Å; V122-C124 VanDerWaalsContact C-N 3.33Å; V122-C124 PolarHBondContact O-N 3Å | ||
| 123 | D | 52.9 | Low | 49.5 | Very low | 142 Ų | 142 | 112.3 Ų | 112.3 | 76% | 0.759 | 66% | 0.662 | S | S | * | * | trans | -60.4 | 101.9 | 160.8 | -142.1 | -67.1 | 0 | 0 | 0 | 106.1 | H121 P125 | H121-D123 PolarHBondContact O-N 3.17Å; D123-P125 WeakPolarHBondContact O-CD 3.06Å | ||
| 124 | C | 47.4 | Very low | 48.8 | Very low | 81 Ų | 81 | 115.8 Ų | 115.8 | 55% | 0.547 | 67% | 0.672 | S | S | . | * | P | Polyproline II helix | trans | -61.1 | 121.1 | -164.8 | -77.5 | 0 | 0 | 0 | 0 | 110.9 | V122 T126 | V122-C124 VanDerWaalsContact C-N 3.33Å; V122-C124 PolarHBondContact O-N 3Å; C124-T126 PolarHBondContact O-N 2.8Å |
| 125 | P | 55.5 | Low | 48.7 | Very low | 92 Ų | 92 | 118.6 Ų | 118.6 | 60% | 0.597 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 123 | 174.2 | 31.3 | -30.2 | 0 | 0 | 0 | 108.4 | D123 H129 | D123-P125 WeakPolarHBondContact O-CD 3.06Å; P125-H129 WeakPolarHBondContact CA-NE2 3.09Å |
| 126 | T | 54.5 | Low | 49.7 | Very low | 67 Ų | 67 | 115.8 Ų | 115.8 | 41% | 0.411 | 68% | 0.684 | S | S | . | * | P | Polyproline II helix | trans | -73.7 | 146.3 | 169 | 32.7 | 0 | 0 | 0 | 0 | 109 | C124 W128 H129 | C124-T126 PolarHBondContact O-N 2.8Å; T126-W128 HydrophobicContact CG2-CZ2 4.29Å; T126-W128 PolarHBondContact O-N 3.27Å; T126-H129 PolarHBondContact N-CD2 3.11Å; T126-H129 PolarHBondContact N-NE2 3.1Å; T126-H129 PolarHBondContact O-CD2 2.94Å; T126-H129 PolarHBondContact O-N 3.42Å |
| 127 | P | 52.8 | Low | 49.9 | Very low | 135 Ų | 135 | 121 Ų | 121 | 88% | 0.877 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -72.4 | 34.8 | -176.8 | 28.7 | -33.3 | 0 | 0 | 0 | 114.3 | ||
| 128 | W | 44.3 | Very low | 49.6 | Very low | 201 Ų | 201 | 123.7 Ų | 123.7 | 76% | 0.761 | 69% | 0.688 | S | S | * | * | trans | -146.5 | 48.4 | 174 | 40 | -76.9 | 0 | 0 | 0 | 109.8 | T126 S130 | T126-W128 HydrophobicContact CG2-CZ2 4.29Å; T126-W128 PolarHBondContact O-N 3.27Å; W128-S130 PolarHBondContact O-N 3.45Å | ||
| 129 | H | 48.6 | Very low | 49.4 | Very low | 121 Ų | 121 | 124.1 Ų | 124.1 | 56% | 0.56 | 70% | 0.702 | S | S | * | * | trans | -74.7 | 105.1 | 173.7 | -92.9 | -85.2 | 0 | 0 | 0 | 111.3 | P125 T126 | P125-H129 WeakPolarHBondContact CA-NE2 3.09Å; T126-H129 PolarHBondContact N-CD2 3.11Å; T126-H129 PolarHBondContact N-NE2 3.1Å; T126-H129 PolarHBondContact O-CD2 2.94Å; T126-H129 PolarHBondContact O-N 3.42Å | ||
| 130 | S | 46.8 | Very low | 49.4 | Very low | 112 Ų | 112 | 123.5 Ų | 123.5 | 78% | 0.783 | 71% | 0.711 | S | S | * | * | trans | -69.4 | 120 | 146.4 | -68.2 | 0 | 0 | 0 | 0 | 107.9 | W128 C132 | W128-S130 PolarHBondContact O-N 3.45Å; S130-C132 PolarHBondContact O-N 3.19Å | ||
| 131 | V | 43.5 | Very low | 49 | Very low | 123 Ų | 123 | 124.4 Ų | 124.4 | 75% | 0.745 | 73% | 0.727 | S | S | * | * | trans | -59.3 | 117.5 | 169.4 | 168 | 0 | 0 | 0 | 0 | 108.5 | L133 | V131-L133 HydrophobicContact CG1-CD1 4.39Å; V131-L133 HydrophobicContact CG1-CG 3.93Å | ||
| 132 | C | 49.6 | Very low | 49.2 | Very low | 108 Ų | 108 | 121.3 Ų | 121.3 | 73% | 0.73 | 73% | 0.729 | S | S | * | * | trans | -118.2 | 96.8 | 161.4 | -153.1 | 0 | 0 | 0 | 0 | 107.3 | S130 Q134 | S130-C132 PolarHBondContact O-N 3.19Å; C132-Q134 PolarHBondContact O-N 3.49Å | ||
| 133 | L | 40.1 | Very low | 49.2 | Very low | 158 Ų | 158 | 122.9 Ų | 122.9 | 83% | 0.827 | 75% | 0.749 | S | S | * | * | trans | -69.3 | 107.3 | 167 | -68.9 | 163.7 | 0 | 0 | 0 | 107 | V131 | V131-L133 HydrophobicContact CG1-CD1 4.39Å; V131-L133 HydrophobicContact CG1-CG 3.93Å | ||
| 134 | Q | 42.1 | Very low | 49.5 | Very low | 164 Ų | 164 | 120.7 Ų | 120.7 | 77% | 0.766 | 75% | 0.751 | S | S | * | * | trans | -128.3 | 104.2 | 160.3 | -132.8 | 144.2 | 68.1 | 0 | 0 | 107.9 | C132 T136 | C132-Q134 PolarHBondContact O-N 3.49Å; Q134-T136 PolarHBondContact O-N 3.35Å | ||
| 135 | T | 50 | Low | 50.1 | Low | 139 Ų | 139 | 122.7 Ų | 122.7 | 85% | 0.853 | 76% | 0.763 | S | S | * | * | trans | -61.5 | 117.8 | 172.2 | -156.3 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 136 | T | 62.4 | Low | 50.4 | Low | 127 Ų | 127 | 126 Ų | 126 | 78% | 0.779 | 78% | 0.775 | S | S | * | * | trans | -113 | 110.5 | 165.7 | 34.2 | 0 | 0 | 0 | 0 | 107.4 | Q134 T138 | Q134-T136 PolarHBondContact O-N 3.35Å; T136-T138 PolarHBondContact O-N 3.03Å | ||
| 137 | Q | 56.7 | Low | 50.9 | Low | 190 Ų | 190 | 128 Ų | 128 | 89% | 0.888 | 79% | 0.789 | S | S | * | * | trans | -57.7 | 115.5 | -178.7 | -158.4 | 169.4 | 89.6 | 0 | 0 | 109.9 | A139 | Q137-A139 PolarHBondContact O-N 2.98Š| ||
| 138 | T | 49.6 | Very low | 51.2 | Low | 131 Ų | 131 | 127.7 Ų | 127.7 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | trans | -68 | 106.9 | 171.4 | -69 | 0 | 0 | 0 | 0 | 109.1 | T136 A140 | T136-T138 PolarHBondContact O-N 3.03Å; T138-A140 PolarHBondContact O-N 2.77Å | ||
| 139 | A | 44.3 | Very low | 52 | Low | 103 Ų | 103 | 124.7 Ų | 124.7 | 85% | 0.851 | 79% | 0.789 | S | S | * | * | trans | -77.6 | 102.4 | 165.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | Q137 | Q137-A139 PolarHBondContact O-N 2.98Š| ||
| 140 | A | 47.6 | Very low | 52.5 | Low | 90 Ų | 90 | 123.1 Ų | 123.1 | 74% | 0.744 | 80% | 0.796 | S | S | * | * | trans | -78.3 | 143.9 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | T138 | T138-A140 PolarHBondContact O-N 2.77Š| ||
| 141 | A | 40.7 | Very low | 53.3 | Low | 100 Ų | 100 | 122.9 Ų | 122.9 | 83% | 0.826 | 79% | 0.792 | S | S | * | * | trans | -50.2 | 147.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 142 | A | 51.3 | Low | 54 | Low | 95 Ų | 95 | 125 Ų | 125 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | 174.4 | 122.3 | 128.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 143 | A | 52.4 | Low | 54.6 | Low | 101 Ų | 101 | 125.2 Ų | 125.2 | 84% | 0.835 | 80% | 0.796 | S | S | * | * | trans | 66.3 | 127.3 | 132.2 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 144 | A | 59.4 | Low | 54.9 | Low | 97 Ų | 97 | 126 Ų | 126 | 80% | 0.802 | 80% | 0.8 | S | S | * | * | trans | 101.2 | 148.3 | 135 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 145 | P | 59.9 | Low | 55.5 | Low | 123 Ų | 123 | 122.8 Ų | 122.8 | 80% | 0.799 | 80% | 0.802 | S | S | * | * | trans | -108.5 | 172.3 | -142.6 | 40.2 | -31.4 | 0 | 0 | 0 | 117 | ||||
| 146 | L | 62.4 | Low | 55.7 | Low | 162 Ų | 162 | 121.8 Ų | 121.8 | 85% | 0.848 | 80% | 0.801 | S | S | * | * | trans | -27.6 | 160.5 | 167.3 | -62.1 | 170.3 | 0 | 0 | 0 | 116.3 | ||||
| 147 | P | 63.8 | Low | 55.3 | Low | 109 Ų | 109 | 124.2 Ų | 124.2 | 71% | 0.708 | 80% | 0.803 | S | S | * | * | cis | -157.7 | 175.5 | 40.3 | 43.3 | -20.5 | 0 | 0 | 0 | 119.9 | ||||
| 148 | T | 60.7 | Low | 55.6 | Low | 127 Ų | 127 | 120.6 Ų | 120.6 | 78% | 0.779 | 80% | 0.796 | S | S | * | * | trans | 63.4 | 128.7 | 139.8 | -66 | 0 | 0 | 0 | 0 | 122 | ||||
| 149 | T | 60 | Low | 56.1 | Low | 139 Ų | 139 | 120.1 Ų | 120.1 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | trans | 143.2 | 132.4 | 145.8 | -65.8 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 150 | A | 59.2 | Low | 56.8 | Low | 87 Ų | 87 | 120.5 Ų | 120.5 | 72% | 0.719 | 79% | 0.792 | S | S | * | * | cis | -168.4 | 167 | -14.2 | 0 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 151 | P | 64.4 | Low | 57.3 | Low | 108 Ų | 108 | 122.7 Ų | 122.7 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | trans | -112.4 | 166.5 | -165.5 | 42.1 | -33.3 | 0 | 0 | 0 | 115.8 | ||||
| 152 | M | 57.9 | Low | 57.7 | Low | 166 Ų | 166 | 122.7 Ų | 122.7 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | 75.6 | 168.9 | 158.7 | -57.3 | -64.4 | 112.4 | 0 | 0 | 118.5 | ||||
| 153 | P | 61.1 | Low | 57.5 | Low | 114 Ų | 114 | 126.3 Ų | 126.3 | 74% | 0.74 | 80% | 0.801 | S | S | * | * | cis | -138.4 | 164.5 | -15.8 | 19.6 | 6.2 | 0 | 0 | 0 | 117 | ||||
| 154 | L | 47.9 | Very low | 57.1 | Low | 173 Ų | 173 | 126.2 Ų | 126.2 | 91% | 0.906 | 80% | 0.801 | S | S | * | * | trans | 20.1 | 120.3 | 130.3 | -159.9 | 71.8 | 0 | 0 | 0 | 121.9 | ||||
| 155 | A | 54.4 | Low | 56.5 | Low | 97 Ų | 97 | 129.1 Ų | 129.1 | 80% | 0.802 | 80% | 0.802 | S | S | * | * | trans | -159.1 | 116.1 | 151.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 156 | S | 53.5 | Low | 55.8 | Low | 118 Ų | 118 | 132.6 Ų | 132.6 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | 99.2 | 121.7 | 75 | -170.1 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 157 | E | 53.7 | Low | 55.2 | Low | 178 Ų | 178 | 133.3 Ų | 133.3 | 83% | 0.832 | 81% | 0.811 | S | S | * | * | trans | -69.3 | -164 | 178 | -49 | -156.9 | 113.8 | 0 | 0 | 112.4 | ||||
| 158 | P | 64.1 | Low | 54.2 | Low | 115 Ų | 115 | 131 Ų | 131 | 75% | 0.747 | 81% | 0.808 | S | S | * | * | cis | -146.5 | -164.7 | 7.9 | 47 | -23.8 | 0 | 0 | 0 | 115 | ||||
| 159 | P | 59.7 | Low | 54 | Low | 120 Ų | 120 | 131.8 Ų | 131.8 | 78% | 0.779 | 81% | 0.812 | S | S | * | * | trans | -101.3 | 163.1 | -154.4 | 40.5 | -36.1 | 0 | 0 | 0 | 116.9 | ||||
| 160 | S | 57.9 | Low | 52.9 | Low | 111 Ų | 111 | 128.8 Ų | 128.8 | 78% | 0.776 | 81% | 0.808 | S | S | * | * | trans | -157.8 | 118 | 162.2 | -89.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 161 | T | 58 | Low | 52.4 | Low | 137 Ų | 137 | 136.6 Ų | 136.6 | 84% | 0.84 | 82% | 0.819 | S | S | * | * | 79.4 | 96.5 | 95.2 | -40.8 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 162 | A | 50.5 | Low | 51.5 | Low | 100 Ų | 100 | 136.8 Ų | 136.8 | 83% | 0.826 | 82% | 0.824 | S | S | * | * | trans | -165.4 | 113.2 | 146.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 163 | L | 46.5 | Very low | 51.2 | Low | 170 Ų | 170 | 140.4 Ų | 140.4 | 89% | 0.89 | 83% | 0.828 | S | S | * | * | trans | -68.2 | 133.2 | 162.7 | -85.2 | 162 | 0 | 0 | 0 | 109.5 | ||||
| 164 | A | 44.4 | Very low | 50.7 | Low | 100 Ų | 100 | 140 Ų | 140 | 83% | 0.826 | 83% | 0.834 | S | S | * | * | trans | -151.3 | 108.9 | 157.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 165 | L | 47.4 | Very low | 50.7 | Low | 158 Ų | 158 | 134.9 Ų | 134.9 | 83% | 0.827 | 82% | 0.824 | S | S | * | * | trans | -80.7 | 128.8 | 159.1 | -78 | 104.6 | 0 | 0 | 0 | 107.5 | ||||
| 166 | E | 44.9 | Very low | 50.9 | Low | 195 Ų | 195 | 135.4 Ų | 135.4 | 91% | 0.911 | 81% | 0.812 | S | S | * | * | trans | -164.1 | 148.2 | 144.6 | -112.9 | -169.6 | 119.1 | 0 | 0 | 112.4 | ||||
| 167 | L | 48.9 | Very low | 51.1 | Low | 178 Ų | 178 | 136 Ų | 136 | 93% | 0.932 | 81% | 0.813 | S | S | * | * | trans | -72.5 | 139.9 | -175.6 | -65.1 | 138.2 | 0 | 0 | 0 | 110.7 | ||||
| 168 | G | 43.3 | Very low | 51 | Low | 61 Ų | 61 | 132.8 Ų | 132.8 | 63% | 0.629 | 80% | 0.797 | S | S | * | * | trans | 170.5 | 112.2 | 168.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 169 | T | 56.7 | Low | 50.6 | Low | 143 Ų | 143 | 132 Ų | 132 | 88% | 0.877 | 79% | 0.786 | S | S | * | * | trans | 65.6 | 101.2 | 135.5 | 56.2 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 170 | G | 37.4 | Very low | 50.6 | Low | 75 Ų | 75 | 129.8 Ų | 129.8 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | 44.8 | 91.1 | 118.4 | 0 | 0 | 0 | 0 | 0 | 117.9 | S172 | G170-S172 PolarHBondContact O-N 2.74Š| |||
| 171 | R | 47.8 | Very low | 50.7 | Low | 251 Ų | 251 | 129.2 Ų | 129.2 | 95% | 0.947 | 76% | 0.756 | S | S | * | * | trans | -89.9 | 97.4 | 166.3 | -155.4 | 165.9 | -171 | 172.3 | 2.1 | 110 | R173 | R171-R173 PolarHBondContact O-N 2.72Š| ||
| 172 | S | 45.8 | Very low | 50.4 | Low | 113 Ų | 113 | 129.5 Ų | 129.5 | 79% | 0.79 | 75% | 0.748 | S | S | * | * | trans | -43.3 | 113.6 | 167.8 | -59.6 | 0 | 0 | 0 | 0 | 111.5 | G170 A174 | G170-S172 PolarHBondContact O-N 2.74Å; S172-A174 PolarHBondContact O-N 3.43Å | ||
| 173 | R | 51.5 | Low | 49.9 | Very low | 241 Ų | 241 | 128 Ų | 128 | 91% | 0.909 | 74% | 0.735 | S | S | * | * | trans | -70.3 | 120.1 | 146.8 | -88.6 | 179.7 | 153.7 | 151.2 | -3.9 | 105.4 | R171 G175 | R171-R173 PolarHBondContact O-N 2.72Å; R173-G175 VanDerWaalsContact C-N 3.28Å; R173-G175 PolarHBondContact O-N 3.33Å | ||
| 174 | A | 50 | Low | 50.1 | Low | 106 Ų | 106 | 125.5 Ų | 125.5 | 88% | 0.876 | 73% | 0.729 | S | S | * | * | trans | -50.4 | 96.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | S172 | S172-A174 PolarHBondContact O-N 3.43Š| ||
| 175 | G | 48.2 | Very low | 50.4 | Low | 66 Ų | 66 | 126.5 Ų | 126.5 | 68% | 0.68 | 73% | 0.73 | S | S | * | * | trans | -72 | 141 | 170.3 | 0 | 0 | 0 | 0 | 0 | 107.9 | R173 | R173-G175 VanDerWaalsContact C-N 3.28Å; R173-G175 PolarHBondContact O-N 3.33Å | ||
| 176 | L | 58.5 | Low | 50.4 | Low | 108 Ų | 108 | 128.3 Ų | 128.3 | 57% | 0.565 | 75% | 0.754 | S | S | * | * | trans | -48 | 138.3 | 167.7 | -71.7 | 161 | 0 | 0 | 0 | 108.5 | F178 | L176-F178 HydrophobicContact CB-CE1 4.36Å; L176-F178 HydrophobicContact CB-CZ 4.46Å; L176-F178 HydrophobicContact CD2-CE1 4.35Å; L176-F178 HydrophobicContact CD2-CZ 4.28Å; L176-F178 PolarHBondContact O-N 2.72Å | ||
| 177 | P | 58.8 | Low | 50.7 | Low | 129 Ų | 129 | 125 Ų | 125 | 84% | 0.838 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -67 | 8.7 | -176.6 | 26.5 | -33.1 | 0 | 0 | 0 | 113.9 | ||
| 178 | F | 51.4 | Low | 50.8 | Low | 112 Ų | 112 | 122.2 Ų | 122.2 | 49% | 0.491 | 74% | 0.736 | S | S | . | * | S | Bend | trans | -141.2 | 120.2 | 177.1 | 54.7 | -85.9 | 0 | 0 | 0 | 109.2 | L176 L180 | L176-F178 HydrophobicContact CB-CE1 4.36Å; L176-F178 HydrophobicContact CB-CZ 4.46Å; L176-F178 HydrophobicContact CD2-CE1 4.35Å; L176-F178 HydrophobicContact CD2-CZ 4.28Å; L176-F178 PolarHBondContact O-N 2.72Å; F178-L180 HydrophobicContact CD2-CD1 4.36Å; F178-L180 HydrophobicContact CD2-CD2 3.54Å; F178-L180 HydrophobicContact CD2-CG 3.55Å; F178-L180 HydrophobicContact CE2-CD1 3.82Å; F178-L180 HydrophobicContact CE2-CD2 3.53Å; F178-L180 HydrophobicContact CE2-CG 3.51Å; F178-L180 PolarHBondContact O-N 3.22Å |
| 179 | D | 55.3 | Low | 51.2 | Low | 98 Ų | 98 | 125.6 Ų | 125.6 | 52% | 0.524 | 74% | 0.742 | S | S | . | * | trans | -73.7 | 107.4 | 164.9 | -176 | -7.1 | 0 | 0 | 0 | 108.3 | N181 E182 | D179-N181 PolarHBondContact O-N 3.43Å; D179-N181 VanDerWaalsContact O-N 3.09Å; D179-N181 WeakPolarHBondContact OD1-CB 3.5Å; D179-N181 PolarHBondContact OD1-N 3.11Å; D179-E182 HydrophobicContact CB-CB 4.08Å; D179-E182 PolarHBondContact O-N 2.98Å; D179-E182 VanDerWaalsContact O-N 3.07Å | ||
| 180 | L | 60.3 | Low | 50.9 | Low | 74 Ų | 74 | 124.6 Ų | 124.6 | 39% | 0.387 | 73% | 0.734 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -65.4 | -6.2 | 177.9 | -75 | 170.2 | 0 | 0 | 0 | 113.9 | R35 W54 F178 | R35-L180 PolarHBondContact NH1-O 3.01Å; W54-L180 HydrophobicContact CH2-CD1 3.4Å; W54-L180 VanDerWaalsContact CH2-CD1 3.4Å; W54-L180 HydrophobicContact CZ2-CD1 3.56Å; W54-L180 HydrophobicContact CZ3-CD1 4.4Å; F178-L180 HydrophobicContact CD2-CD1 4.36Å; F178-L180 HydrophobicContact CD2-CD2 3.54Å; F178-L180 HydrophobicContact CD2-CG 3.55Å; F178-L180 HydrophobicContact CE2-CD1 3.82Å; F178-L180 HydrophobicContact CE2-CD2 3.53Å; F178-L180 HydrophobicContact CE2-CG 3.51Å; F178-L180 PolarHBondContact O-N 3.22Å |
| 181 | N | 59.3 | Low | 51.7 | Low | 98 Ų | 98 | 127.7 Ų | 127.7 | 52% | 0.524 | 73% | 0.732 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -100 | -11.9 | 173 | -67.3 | -58.5 | 0 | 0 | 0 | 113.7 | D179 | D179-N181 PolarHBondContact O-N 3.43Å; D179-N181 VanDerWaalsContact O-N 3.09Å; D179-N181 WeakPolarHBondContact OD1-CB 3.5Å; D179-N181 PolarHBondContact OD1-N 3.11Å |
| 182 | E | 51.7 | Low | 52 | Low | 144 Ų | 144 | 119.5 Ų | 119.5 | 67% | 0.673 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -72.5 | 132.9 | 173.8 | -153.6 | 156.8 | 152 | 0 | 0 | 109.3 | D179 | D179-E182 HydrophobicContact CB-CB 4.08Å; D179-E182 PolarHBondContact O-N 2.98Å; D179-E182 VanDerWaalsContact O-N 3.07Å |
| 183 | A | 40.3 | Very low | 52.5 | Low | 68 Ų | 68 | 119.9 Ų | 119.9 | 56% | 0.562 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -69 | 143.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | S185 | A183-S185 PolarHBondContact O-N 2.88Å; A183-S185 VanDerWaalsContact O-N 3.1Å |
| 184 | P | 49.6 | Very low | 52.5 | Low | 118 Ų | 118 | 110.6 Ų | 110.6 | 77% | 0.766 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 122.9 | 167.2 | 26.2 | -32.2 | 0 | 0 | 0 | 107.6 | C186 | P184-C186 PolarHBondContact O-N 3.26Š|
| 185 | S | 51.8 | Low | 52.7 | Low | 120 Ų | 120 | 111 Ų | 111 | 84% | 0.839 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 131.9 | 167.1 | -176.7 | 0 | 0 | 0 | 0 | 107.8 | A183 | A183-S185 PolarHBondContact O-N 2.88Å; A183-S185 VanDerWaalsContact O-N 3.1Å |
| 186 | C | 47.5 | Very low | 53.2 | Low | 197 Ų | 197 | 115.1 Ų | 115.1 | 100% | 1.331 | 68% | 0.682 | S | S | * | * | trans | -52.9 | 0 | -180 | -49 | 0 | 0 | 0 | 0 | 112.8 | P184 | P184-C186 PolarHBondContact O-N 3.26Š|
Retrieved 186 of 186 residues in 69.6 ms
(Link to these results)