| 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 | 47.3 | Very low | 58.2 | Low | 241 Ų | 241 | 171.7 Ų | 171.7 | 100% | 1.187 | 85% | 0.854 | S | S | * | * | 0 | 108.2 | 0 | -63.5 | -178.9 | -172.4 | 0 | 0 | 108.4 | |||||
| 2 | R | 56.1 | Low | 58.4 | Low | 253 Ų | 253 | 171.8 Ų | 171.8 | 96% | 0.955 | 85% | 0.85 | S | S | * | * | trans | -130.7 | 112.2 | 172.8 | -77.3 | -171.3 | 170.5 | -160.9 | -2 | 107.5 | ||||
| 3 | Q | 56.2 | Low | 58.3 | Low | 195 Ų | 195 | 171.1 Ų | 171.1 | 91% | 0.911 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 132.1 | -176.7 | -59.5 | -169.7 | 21.1 | 0 | 0 | 109.4 | ||
| 4 | R | 68.7 | Low | 58.1 | Low | 242 Ų | 242 | 170.8 Ų | 170.8 | 91% | 0.913 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -72 | 136.7 | 174.2 | -104.9 | 177.9 | 162.5 | -168.4 | -4.8 | 109.3 | ||
| 5 | P | 67.3 | Low | 58.2 | Low | 112 Ų | 112 | 170.3 Ų | 170.3 | 73% | 0.727 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 153.3 | 173 | 27.4 | -32.2 | 0 | 0 | 0 | 111.2 | ||
| 6 | P | 62.8 | Low | 58 | Low | 101 Ų | 101 | 168.7 Ų | 168.7 | 66% | 0.656 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 156.6 | 179.3 | 29.9 | -33.5 | 0 | 0 | 0 | 110.9 | T8 | P6-T8 PolarHBondContact O-N 2.93Š|
| 7 | P | 59.9 | Low | 57.7 | Low | 138 Ų | 138 | 167.5 Ų | 167.5 | 90% | 0.896 | 81% | 0.806 | S | S | * | * | trans | -69.6 | 104.8 | -179 | 28.2 | -31.6 | 0 | 0 | 0 | 109.9 | ||||
| 8 | T | 60 | Low | 57.1 | Low | 123 Ų | 123 | 162.3 Ų | 162.3 | 76% | 0.755 | 80% | 0.804 | S | S | * | * | trans | -78.9 | 126.3 | 174.9 | 9.1 | 0 | 0 | 0 | 0 | 110.8 | P6 | P6-T8 PolarHBondContact O-N 2.93Š| ||
| 9 | T | 56.7 | Low | 56.5 | Low | 116 Ų | 116 | 157.2 Ų | 157.2 | 71% | 0.712 | 80% | 0.797 | S | S | * | * | trans | 78.5 | 85.5 | 146.5 | -35.7 | 0 | 0 | 0 | 0 | 115.4 | R11 | T9-R11 PolarHBondContact O-N 3.32Š| ||
| 10 | V | 52.7 | Low | 56.1 | Low | 128 Ų | 128 | 158.2 Ų | 158.2 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | trans | -3.6 | 94.6 | 133 | -177.4 | 0 | 0 | 0 | 0 | 111.3 | Q12 | V10-Q12 VanDerWaalsContact C-N 3.33Å; V10-Q12 PolarHBondContact O-N 2.84Å | ||
| 11 | R | 53 | Low | 56 | Low | 240 Ų | 240 | 159.7 Ų | 159.7 | 91% | 0.906 | 80% | 0.796 | S | S | * | * | trans | -71 | 99.1 | 172.1 | -145.2 | 179.1 | 176.3 | -173.6 | -2.9 | 105.6 | T9 H13 | T9-R11 PolarHBondContact O-N 3.32Å; R11-H13 PolarHBondContact O-N 2.78Å | ||
| 12 | Q | 60.5 | Low | 56.1 | Low | 172 Ų | 172 | 157.6 Ų | 157.6 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | trans | -50.4 | 109.4 | 175.1 | -68.7 | 178.9 | 1.8 | 0 | 0 | 107.5 | V10 Q14 | V10-Q12 VanDerWaalsContact C-N 3.33Å; V10-Q12 PolarHBondContact O-N 2.84Å; Q12-Q14 PolarHBondContact O-N 2.97Å | ||
| 13 | H | 56.4 | Low | 55.7 | Low | 163 Ų | 163 | 154.4 Ų | 154.4 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | trans | -70.5 | 91.1 | 167.4 | -128.2 | -72 | 0 | 0 | 0 | 105.2 | R11 R15 | R11-H13 PolarHBondContact O-N 2.78Å; H13-R15 PolarHBondContact O-N 2.91Å | ||
| 14 | Q | 55.4 | Low | 55.8 | Low | 167 Ų | 167 | 148.6 Ų | 148.6 | 78% | 0.78 | 77% | 0.765 | S | S | * | * | trans | -59.9 | 91.9 | 159.6 | -130.7 | 173.6 | 25.4 | 0 | 0 | 104.8 | Q12 D16 | Q12-Q14 PolarHBondContact O-N 2.97Å; Q14-D16 PolarHBondContact O-N 3.39Å | ||
| 15 | R | 59.9 | Low | 55.1 | Low | 164 Ų | 164 | 142.3 Ų | 142.3 | 62% | 0.619 | 76% | 0.755 | S | S | * | * | trans | -84.3 | 96 | 165.4 | -72.2 | -171.4 | -178.5 | -170.6 | 1.3 | 104.9 | H13 Y17 | H13-R15 PolarHBondContact O-N 2.91Å; R15-Y17 HydrophobicContact CB-CD2 3.62Å; R15-Y17 HydrophobicContact CB-CE2 3.4Å; R15-Y17 VanDerWaalsContact CD-CE2 3.46Å; R15-Y17 WeakPolarHBondContact CD-OH 3.2Å; R15-Y17 HydrophobicContact CG-CE2 4.07Å; R15-Y17 PolarHBondContact NH1-OH 2.91Å; R15-Y17 PolarHBondContact O-N 2.67Å | ||
| 16 | D | 55.8 | Low | 54.1 | Low | 144 Ų | 144 | 142.7 Ų | 142.7 | 77% | 0.77 | 76% | 0.761 | S | S | * | * | trans | -52.9 | 89.6 | 156.7 | -74.9 | -82.3 | 0 | 0 | 0 | 108.5 | Q14 G18 | Q14-D16 PolarHBondContact O-N 3.39Å; D16-G18 PolarHBondContact O-N 2.73Å | ||
| 17 | Y | 53.1 | Low | 53.5 | Low | 148 Ų | 148 | 143.7 Ų | 143.7 | 58% | 0.58 | 76% | 0.757 | S | S | * | * | trans | -89.7 | 61.4 | 161.6 | -73.7 | -75.1 | 0 | 0 | 0 | 107.9 | R15 Y20 | R15-Y17 HydrophobicContact CB-CD2 3.62Å; R15-Y17 HydrophobicContact CB-CE2 3.4Å; R15-Y17 VanDerWaalsContact CD-CE2 3.46Å; R15-Y17 WeakPolarHBondContact CD-OH 3.2Å; R15-Y17 HydrophobicContact CG-CE2 4.07Å; R15-Y17 PolarHBondContact NH1-OH 2.91Å; R15-Y17 PolarHBondContact O-N 2.67Å; Y17-Y20 HydrophobicContact CD1-CE1 4.41Å; Y17-Y20 WeakPolarHBondContact CD1-OH 3.39Å | ||
| 18 | G | 46.3 | Very low | 53.5 | Low | 75 Ų | 75 | 142.3 Ų | 142.3 | 77% | 0.773 | 75% | 0.745 | S | S | * | * | trans | -94.6 | 107 | 162 | 0 | 0 | 0 | 0 | 0 | 107.9 | D16 | D16-G18 PolarHBondContact O-N 2.73Š| ||
| 19 | G | 45.6 | Very low | 53.2 | Low | 64 Ų | 64 | 141.8 Ų | 141.8 | 66% | 0.66 | 74% | 0.744 | S | S | * | * | trans | 124.6 | 79.6 | 163.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 20 | Y | 49.3 | Very low | 52.9 | Low | 178 Ų | 178 | 145.7 Ų | 145.7 | 70% | 0.698 | 75% | 0.746 | S | S | * | * | trans | -152.6 | 119.7 | 133.5 | 19.3 | -95.7 | 0 | 0 | 0 | 107.4 | Y17 | Y17-Y20 HydrophobicContact CD1-CE1 4.41Å; Y17-Y20 WeakPolarHBondContact CD1-OH 3.39Å | ||
| 21 | E | 52.3 | Low | 52.8 | Low | 190 Ų | 190 | 150.6 Ų | 150.6 | 89% | 0.888 | 75% | 0.75 | S | S | * | * | trans | -56.3 | 144.6 | 179.3 | -61.3 | 175.2 | 100.9 | 0 | 0 | 110.5 | E23 | E21-E23 PolarHBondContact O-N 3.1Š| ||
| 22 | E | 49.9 | Very low | 52.7 | Low | 196 Ų | 196 | 150.9 Ų | 150.9 | 92% | 0.916 | 75% | 0.751 | S | S | * | * | trans | -9.6 | 90.2 | 164.2 | -162.7 | 168.4 | 100.1 | 0 | 0 | 114.1 | A24 | E22-A24 PolarHBondContact O-N 2.86Š| ||
| 23 | E | 47.9 | Very low | 52.5 | Low | 186 Ų | 186 | 145.1 Ų | 145.1 | 87% | 0.869 | 74% | 0.739 | S | S | * | * | trans | -69.2 | 99.6 | 176.5 | -153.8 | 175.5 | 111.1 | 0 | 0 | 107 | E21 | E21-E23 PolarHBondContact O-N 3.1Š| ||
| 24 | A | 59.4 | Low | 52.6 | Low | 74 Ų | 74 | 149.3 Ų | 149.3 | 61% | 0.612 | 75% | 0.748 | S | S | * | * | trans | -42 | 140.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111 | E22 S26 | E22-A24 PolarHBondContact O-N 2.86Å; A24-S26 PolarHBondContact O-N 2.81Å | ||
| 25 | P | 52.3 | Low | 52.8 | Low | 109 Ų | 109 | 146.1 Ų | 146.1 | 71% | 0.708 | 74% | 0.739 | S | S | * | * | trans | -54.8 | 117.8 | 173.9 | 22.8 | -30.1 | 0 | 0 | 0 | 107.4 | E27 | P25-E27 PolarHBondContact O-N 2.82Š| ||
| 26 | S | 46.2 | Very low | 52.7 | Low | 121 Ų | 121 | 143.4 Ų | 143.4 | 85% | 0.846 | 74% | 0.737 | S | S | * | * | trans | -60.5 | 75.5 | 169.9 | -169.8 | 0 | 0 | 0 | 0 | 108 | A24 V28 | A24-S26 PolarHBondContact O-N 2.81Å; S26-V28 PolarHBondContact O-N 2.91Å | ||
| 27 | E | 51 | Low | 52.8 | Low | 122 Ų | 122 | 141.6 Ų | 141.6 | 57% | 0.57 | 72% | 0.723 | S | S | * | * | trans | -84.7 | 81.5 | -176.6 | -155.2 | 174.4 | 162.3 | 0 | 0 | 106.9 | P25 R30 | P25-E27 PolarHBondContact O-N 2.82Å; E27-R30 IonicContact OE1-CZ 3.05Å; E27-R30 IonicContact OE1-NH1 3.09Å; E27-R30 PolarHBondContact OE1-NH1 2.64Å; E27-R30 VanDerWaalsContact OE1-NH1 3.09Å; E27-R30 IonicContact OE1-NH2 2.64Å; E27-R30 PolarHBondContact OE1-NH2 3.09Å | ||
| 28 | V | 60.6 | Low | 53.4 | Low | 108 Ų | 108 | 137.3 Ų | 137.3 | 66% | 0.655 | 71% | 0.714 | S | S | * | * | trans | 6.1 | 123.2 | 155.1 | -164.1 | 0 | 0 | 0 | 0 | 113.1 | S26 R30 | S26-V28 PolarHBondContact O-N 2.91Å; V28-R30 PolarHBondContact O-N 2.84Å | ||
| 29 | P | 52.7 | Low | 54.7 | Low | 112 Ų | 112 | 142.6 Ų | 142.6 | 73% | 0.727 | 71% | 0.711 | S | S | * | * | trans | -55.2 | 109.9 | 177.3 | 20.6 | -29 | 0 | 0 | 0 | 108.2 | R31 | P29-R31 PolarHBondContact O-N 2.67Š| ||
| 30 | R | 51.5 | Low | 55.8 | Low | 199 Ų | 199 | 141 Ų | 141 | 75% | 0.751 | 69% | 0.687 | S | S | * | * | trans | -65.7 | 71.8 | 170.2 | -72.6 | -164.6 | 173.5 | 113.9 | -1.2 | 107.5 | E27 V28 R32 | E27-R30 IonicContact OE1-CZ 3.05Å; E27-R30 IonicContact OE1-NH1 3.09Å; E27-R30 PolarHBondContact OE1-NH1 2.64Å; E27-R30 VanDerWaalsContact OE1-NH1 3.09Å; E27-R30 IonicContact OE1-NH2 2.64Å; E27-R30 PolarHBondContact OE1-NH2 3.09Å; V28-R30 PolarHBondContact O-N 2.84Å; R30-R32 PolarHBondContact O-N 3.36Å | ||
| 31 | R | 49.7 | Very low | 56.5 | Low | 230 Ų | 230 | 137.5 Ų | 137.5 | 87% | 0.868 | 69% | 0.686 | S | S | * | * | trans | -62.4 | 96.6 | 157.2 | -76.8 | -151.7 | 179.2 | -134.3 | 3 | 104.6 | P29 G33 | P29-R31 PolarHBondContact O-N 2.67Å; R31-G33 PolarHBondContact O-N 2.92Å | ||
| 32 | R | 51.7 | Low | 57.2 | Low | 246 Ų | 246 | 130.6 Ų | 130.6 | 93% | 0.928 | 65% | 0.653 | S | S | * | * | trans | -62.1 | 63.8 | 154.9 | -75.4 | -176 | 173.9 | -163.8 | -0.8 | 107.8 | R30 R34 | R30-R32 PolarHBondContact O-N 3.36Å; R32-R34 PolarHBondContact O-N 2.84Å | ||
| 33 | G | 54.5 | Low | 57.9 | Low | 52 Ų | 52 | 126.3 Ų | 126.3 | 54% | 0.536 | 63% | 0.629 | S | S | . | * | trans | -71 | 117.4 | 161.8 | 0 | 0 | 0 | 0 | 0 | 105.3 | R31 V35 | R31-G33 PolarHBondContact O-N 2.92Å; G33-V35 VanDerWaalsContact C-N 3.35Å; G33-V35 PolarHBondContact O-N 2.96Å | ||
| 34 | R | 59.2 | Low | 58.7 | Low | 251 Ų | 251 | 127 Ų | 127 | 95% | 0.947 | 62% | 0.623 | S | S | * | * | trans | -54.4 | 109.2 | 162.1 | -77.7 | -178.4 | -179.4 | -112.6 | 2.2 | 105.7 | R32 D36 | R32-R34 PolarHBondContact O-N 2.84Å; R34-D36 PolarHBondContact O-N 2.91Å; R34-D36 VanDerWaalsContact O-N 3.1Å | ||
| 35 | V | 59.4 | Low | 58.8 | Low | 100 Ų | 100 | 126.1 Ų | 126.1 | 61% | 0.606 | 61% | 0.609 | S | S | * | * | trans | -65.6 | 113.1 | 170.9 | 179.4 | 0 | 0 | 0 | 0 | 105.2 | G33 F37 | G33-V35 VanDerWaalsContact C-N 3.35Å; G33-V35 PolarHBondContact O-N 2.96Å; V35-F37 HydrophobicContact CB-CD2 4.28Å; V35-F37 HydrophobicContact CB-CE1 4.37Å; V35-F37 HydrophobicContact CB-CE2 3.68Å; V35-F37 HydrophobicContact CB-CZ 3.74Å; V35-F37 HydrophobicContact CG1-CD1 3.98Å; V35-F37 HydrophobicContact CG1-CD2 4.18Å; V35-F37 HydrophobicContact CG1-CE1 3.48Å; V35-F37 VanDerWaalsContact CG1-CE1 3.48Å; V35-F37 HydrophobicContact CG1-CE2 3.7Å; V35-F37 HydrophobicContact CG1-CG 4.32Å; V35-F37 HydrophobicContact CG1-CZ 3.33Å; V35-F37 VanDerWaalsContact O-CD2 3.32Å; V35-F37 WeakPolarHBondContact O-CD2 3.32Å; V35-F37 PolarHBondContact O-N 2.95Å; V35-F37 VanDerWaalsContact O-N 3.15Å | ||
| 36 | D | 57.9 | Low | 59.3 | Low | 106 Ų | 106 | 124.5 Ų | 124.5 | 57% | 0.567 | 59% | 0.593 | S | S | * | * | trans | -76.2 | 104.7 | 177.2 | -167.8 | -2.1 | 0 | 0 | 0 | 108.8 | R34 S38 | R34-D36 PolarHBondContact O-N 2.91Å; R34-D36 VanDerWaalsContact O-N 3.1Å; D36-S38 WeakPolarHBondContact OD1-CA 2.95Å; D36-S38 WeakPolarHBondContact OD1-CB 3.45Å; D36-S38 PolarHBondContact OD1-N 2.95Å; D36-S38 PolarHBondContact OD1-OG 3.15Å; D36-S38 PolarHBondContact OD2-OG 3.09Å | ||
| 37 | F | 58.6 | Low | 60 | Low | 107 Ų | 107 | 122 Ų | 122 | 47% | 0.469 | 57% | 0.568 | S | S | . | * | trans | -89 | 16.3 | 174.4 | -67.8 | -64.4 | 0 | 0 | 0 | 112 | V35 W39 L40 | V35-F37 HydrophobicContact CB-CD2 4.28Å; V35-F37 HydrophobicContact CB-CE1 4.37Å; V35-F37 HydrophobicContact CB-CE2 3.68Å; V35-F37 HydrophobicContact CB-CZ 3.74Å; V35-F37 HydrophobicContact CG1-CD1 3.98Å; V35-F37 HydrophobicContact CG1-CD2 4.18Å; V35-F37 HydrophobicContact CG1-CE1 3.48Å; V35-F37 VanDerWaalsContact CG1-CE1 3.48Å; V35-F37 HydrophobicContact CG1-CE2 3.7Å; V35-F37 HydrophobicContact CG1-CG 4.32Å; V35-F37 HydrophobicContact CG1-CZ 3.33Å; V35-F37 VanDerWaalsContact O-CD2 3.32Å; V35-F37 WeakPolarHBondContact O-CD2 3.32Å; V35-F37 PolarHBondContact O-N 2.95Å; V35-F37 VanDerWaalsContact O-N 3.15Å; F37-W39 PolarHBondContact O-N 2.89Å; F37-W39 VanDerWaalsContact O-N 3.09Å; F37-L40 HydrophobicContact CB-CD1 3.98Å; F37-L40 HydrophobicContact CD1-CD1 3.59Å; F37-L40 HydrophobicContact CD1-CG 4.49Å; F37-L40 HydrophobicContact CE1-CD1 4.47Å; F37-L40 HydrophobicContact CG-CD1 4.1Å; F37-L40 WeakPolarHBondContact O-CB 3.43Å; F37-L40 PolarHBondContact O-N 2.91Å | ||
| 38 | S | 65.4 | Low | 60.5 | Low | 58 Ų | 58 | 119.3 Ų | 119.3 | 41% | 0.406 | 56% | 0.558 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -57.6 | -22.8 | -179.8 | 55.6 | 0 | 0 | 0 | 0 | 114.2 | D36 | D36-S38 WeakPolarHBondContact OD1-CA 2.95Å; D36-S38 WeakPolarHBondContact OD1-CB 3.45Å; D36-S38 PolarHBondContact OD1-N 2.95Å; D36-S38 PolarHBondContact OD1-OG 3.15Å; D36-S38 PolarHBondContact OD2-OG 3.09Å |
| 39 | W | 73.1 | Confident | 60.4 | Low | 185 Ų | 185 | 117 Ų | 117 | 70% | 0.701 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | -10.8 | 177.5 | 73.3 | -89.6 | 0 | 0 | 0 | 114.3 | F37 | F37-W39 PolarHBondContact O-N 2.89Å; F37-W39 VanDerWaalsContact O-N 3.09Å |
| 40 | L | 69.5 | Low | 60.8 | Low | 32 Ų | 32 | 119 Ų | 119 | 17% | 0.168 | 55% | 0.547 | C | S | . | . | trans | -79.8 | 129.3 | -178.2 | -73.1 | 173.9 | 0 | 0 | 0 | 110.9 | F37 F42 R43 I46 | F37-L40 HydrophobicContact CB-CD1 3.98Å; F37-L40 HydrophobicContact CD1-CD1 3.59Å; F37-L40 HydrophobicContact CD1-CG 4.49Å; F37-L40 HydrophobicContact CE1-CD1 4.47Å; F37-L40 HydrophobicContact CG-CD1 4.1Å; F37-L40 WeakPolarHBondContact O-CB 3.43Å; F37-L40 PolarHBondContact O-N 2.91Å; L40-F42 PolarHBondContact O-N 3Å; L40-R43 WeakPolarHBondContact O-CB 3.48Å; L40-R43 PolarHBondContact O-N 2.85Å; L40-I46 HydrophobicContact CD1-CD1 4.24Å | ||
| 41 | P | 64.3 | Low | 61.2 | Low | 103 Ų | 103 | 119.5 Ų | 119.5 | 67% | 0.669 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -12.6 | 176.8 | 25.2 | -32.1 | 0 | 0 | 0 | 113.3 | ||
| 42 | F | 66 | Low | 61.4 | Low | 46 Ų | 46 | 111.4 Ų | 111.4 | 20% | 0.202 | 54% | 0.537 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.5 | 13.2 | 179.4 | -33.4 | -73.1 | 0 | 0 | 0 | 112.7 | L40 R44 D45 I46 Q63 V67 | L40-F42 PolarHBondContact O-N 3Å; F42-R44 PolarHBondContact O-N 2.84Å; F42-D45 WeakPolarHBondContact O-CB 3.34Å; F42-D45 PolarHBondContact O-N 2.9Å; F42-I46 PolarHBondContact O-N 3.09Å; F42-I46 VanDerWaalsContact O-N 3.11Å; F42-Q63 HydrophobicContact CE1-CG 4.29Å; F42-V67 HydrophobicContact CZ-CG2 4.22Å |
| 43 | R | 66 | Low | 61.3 | Low | 106 Ų | 106 | 104.3 Ų | 104.3 | 40% | 0.4 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -52.2 | -41.2 | 179.4 | -175.8 | -153.3 | 170.4 | 153.9 | -0.6 | 111.2 | L40 D45 I46 E47 | L40-R43 WeakPolarHBondContact O-CB 3.48Å; L40-R43 PolarHBondContact O-N 2.85Å; R43-D45 VanDerWaalsContact C-N 3.32Å; R43-D45 PolarHBondContact O-N 3.42Å; R43-I46 PolarHBondContact O-N 3.47Å; R43-E47 WeakPolarHBondContact CD-OE2 3.41Å; R43-E47 HydrophobicContact CG-CG 4.39Å; R43-E47 IonicContact CZ-OE1 3.33Å; R43-E47 IonicContact CZ-OE2 3.98Å; R43-E47 IonicContact NE-OE1 2.91Å; R43-E47 PolarHBondContact NE-OE1 3.2Å; R43-E47 IonicContact NE-OE2 3.09Å; R43-E47 PolarHBondContact NE-OE2 3.06Å; R43-E47 VanDerWaalsContact NE-OE2 3.09Å; R43-E47 IonicContact NH2-OE1 2.89Å; R43-E47 PolarHBondContact NH2-OE1 3.31Å; R43-E47 WeakPolarHBondContact O-CB 3.32Å; R43-E47 WeakPolarHBondContact O-CG 3.24Å; R43-E47 PolarHBondContact O-N 3.03Å |
| 44 | R | 63.5 | Low | 61.1 | Low | 199 Ų | 199 | 107.2 Ų | 107.2 | 75% | 0.751 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.5 | -36.8 | 179.3 | -127 | 169.7 | -177.5 | 167.6 | -1.4 | 112.6 | F42 N48 | F42-R44 PolarHBondContact O-N 2.84Å; R44-N48 VanDerWaalsContact O-CB 3.24Å; R44-N48 WeakPolarHBondContact O-CB 3.47Å; R44-N48 PolarHBondContact O-N 3.11Å |
| 45 | D | 62 | Low | 60.7 | Low | 57 Ų | 57 | 102 Ų | 102 | 31% | 0.305 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -71.3 | -39.2 | 177.9 | -57.4 | -49.7 | 0 | 0 | 0 | 111.4 | F42 R43 N48 C49 L60 | F42-D45 WeakPolarHBondContact O-CB 3.34Å; F42-D45 PolarHBondContact O-N 2.9Å; R43-D45 VanDerWaalsContact C-N 3.32Å; R43-D45 PolarHBondContact O-N 3.42Å; D45-N48 PolarHBondContact O-N 3.04Å; D45-C49 VanDerWaalsContact O-CB 3.23Å; D45-C49 WeakPolarHBondContact O-CB 3.36Å; D45-C49 PolarHBondContact O-N 2.81Å; D45-L60 HydrophobicContact CB-CD1 4.17Å; D45-L60 HydrophobicContact CB-CD2 4.48Å |
| 46 | I | 62 | Low | 60.4 | Low | 75 Ų | 75 | 103 Ų | 103 | 39% | 0.385 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -67.7 | -43.3 | 174.7 | -61.2 | 168.2 | 0 | 0 | 0 | 110.5 | L40 F42 R43 C49 M50 | L40-I46 HydrophobicContact CD1-CD1 4.24Å; F42-I46 PolarHBondContact O-N 3.09Å; F42-I46 VanDerWaalsContact O-N 3.11Å; R43-I46 PolarHBondContact O-N 3.47Å; I46-C49 PolarHBondContact O-N 3.01Å; I46-M50 HydrophobicContact CG2-CE 4.24Å; I46-M50 WeakPolarHBondContact O-CB 3.36Å; I46-M50 WeakPolarHBondContact O-CG 3.48Å; I46-M50 PolarHBondContact O-N 3.45Å |
| 47 | E | 62.1 | Low | 59.8 | Low | 69 Ų | 69 | 101.2 Ų | 101.2 | 32% | 0.322 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.9 | -37.7 | 176 | -77.1 | 175.2 | 142.1 | 0 | 0 | 111.9 | R43 R51 | R43-E47 WeakPolarHBondContact CD-OE2 3.41Å; R43-E47 HydrophobicContact CG-CG 4.39Å; R43-E47 IonicContact CZ-OE1 3.33Å; R43-E47 IonicContact CZ-OE2 3.98Å; R43-E47 IonicContact NE-OE1 2.91Å; R43-E47 PolarHBondContact NE-OE1 3.2Å; R43-E47 IonicContact NE-OE2 3.09Å; R43-E47 PolarHBondContact NE-OE2 3.06Å; R43-E47 VanDerWaalsContact NE-OE2 3.09Å; R43-E47 IonicContact NH2-OE1 2.89Å; R43-E47 PolarHBondContact NH2-OE1 3.31Å; R43-E47 WeakPolarHBondContact O-CB 3.32Å; R43-E47 WeakPolarHBondContact O-CG 3.24Å; R43-E47 PolarHBondContact O-N 3.03Å; E47-R51 VanDerWaalsContact O-CB 3.24Å; E47-R51 WeakPolarHBondContact O-CB 3.14Å; E47-R51 WeakPolarHBondContact O-CG 3.16Å; E47-R51 PolarHBondContact O-N 3.47Å |
| 48 | N | 61.7 | Low | 59.2 | Low | 65 Ų | 65 | 99.7 Ų | 99.7 | 35% | 0.348 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -69.4 | -41.4 | 174.8 | -79.1 | -9.3 | 0 | 0 | 0 | 112.2 | R44 D45 R51 G52 N53 | R44-N48 VanDerWaalsContact O-CB 3.24Å; R44-N48 WeakPolarHBondContact O-CB 3.47Å; R44-N48 PolarHBondContact O-N 3.11Å; D45-N48 PolarHBondContact O-N 3.04Å; N48-R51 CarbonylContact O-C 3.59Å; N48-R51 PolarHBondContact O-N 2.55Å; N48-G52 PolarHBondContact O-N 3.27Å; N48-N53 PolarHBondContact O-N 3.17Å; N48-N53 VanDerWaalsContact O-N 3.09Å |
| 49 | C | 57.2 | Low | 58.6 | Low | 60 Ų | 60 | 98.5 Ų | 98.5 | 41% | 0.405 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -59.5 | -48.9 | 173 | -178.1 | 0 | 0 | 0 | 0 | 111.2 | D45 I46 R51 G52 | D45-C49 VanDerWaalsContact O-CB 3.23Å; D45-C49 WeakPolarHBondContact O-CB 3.36Å; D45-C49 PolarHBondContact O-N 2.81Å; I46-C49 PolarHBondContact O-N 3.01Å; C49-R51 VanDerWaalsContact C-N 3.25Å; C49-R51 PolarHBondContact O-N 3.19Å; C49-G52 PolarHBondContact O-N 3.09Å |
| 50 | M | 62.4 | Low | 57.6 | Low | 154 Ų | 154 | 92.7 Ų | 92.7 | 76% | 0.759 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.5 | -23.9 | 175.8 | -72.4 | -158.2 | -67.5 | 0 | 0 | 113.7 | I46 G52 | I46-M50 HydrophobicContact CG2-CE 4.24Å; I46-M50 WeakPolarHBondContact O-CB 3.36Å; I46-M50 WeakPolarHBondContact O-CG 3.48Å; I46-M50 PolarHBondContact O-N 3.45Å; M50-G52 VanDerWaalsContact C-N 3.33Å |
| 51 | R | 59.6 | Low | 56.7 | Low | 208 Ų | 208 | 95.3 Ų | 95.3 | 79% | 0.785 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -1 | 176.2 | -85 | 176.5 | 165.4 | -109.1 | -0.3 | 113.8 | E47 N48 C49 N53 | E47-R51 VanDerWaalsContact O-CB 3.24Å; E47-R51 WeakPolarHBondContact O-CB 3.14Å; E47-R51 WeakPolarHBondContact O-CG 3.16Å; E47-R51 PolarHBondContact O-N 3.47Å; N48-R51 CarbonylContact O-C 3.59Å; N48-R51 PolarHBondContact O-N 2.55Å; C49-R51 VanDerWaalsContact C-N 3.25Å; C49-R51 PolarHBondContact O-N 3.19Å; R51-N53 PolarHBondContact O-N 3.18Å |
| 52 | G | 52.9 | Low | 56 | Low | 60 Ų | 60 | 93.1 Ų | 93.1 | 62% | 0.619 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.5 | 21.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | N48 C49 M50 V54 | N48-G52 PolarHBondContact O-N 3.27Å; C49-G52 PolarHBondContact O-N 3.09Å; M50-G52 VanDerWaalsContact C-N 3.33Å; G52-V54 PolarHBondContact O-N 3.23Å |
| 53 | N | 50.4 | Low | 55.2 | Low | 98 Ų | 98 | 95.5 Ų | 95.5 | 52% | 0.524 | 54% | 0.541 | S | S | . | . | trans | -95.4 | 88.6 | 178 | -158.9 | -41.6 | 0 | 0 | 0 | 108.2 | N48 R51 D55 | N48-N53 PolarHBondContact O-N 3.17Å; N48-N53 VanDerWaalsContact O-N 3.09Å; R51-N53 PolarHBondContact O-N 3.18Å; N53-D55 VanDerWaalsContact C-N 3.32Å; N53-D55 PolarHBondContact O-N 2.97Å | ||
| 54 | V | 50.2 | Low | 54.5 | Low | 113 Ų | 113 | 92.9 Ų | 92.9 | 69% | 0.685 | 54% | 0.543 | S | S | * | . | trans | -81.3 | 78.2 | -175.5 | -172.6 | 0 | 0 | 0 | 0 | 109.2 | G52 F56 | G52-V54 PolarHBondContact O-N 3.23Å; V54-F56 HydrophobicContact CG1-CD2 3.77Å; V54-F56 HydrophobicContact CG1-CE2 4.25Å | ||
| 55 | D | 50.9 | Low | 53.9 | Low | 141 Ų | 141 | 85.1 Ų | 85.1 | 75% | 0.754 | 52% | 0.524 | S | S | * | . | trans | -116.2 | 66.5 | 162.9 | -120 | -63.5 | 0 | 0 | 0 | 108.2 | N53 G57 | N53-D55 VanDerWaalsContact C-N 3.32Å; N53-D55 PolarHBondContact O-N 2.97Å; D55-G57 PolarHBondContact O-N 3.05Å | ||
| 56 | F | 52.5 | Low | 53.2 | Low | 120 Ų | 120 | 87.8 Ų | 87.8 | 53% | 0.526 | 54% | 0.538 | S | S | . | . | trans | -76.5 | 79.3 | 172.7 | -76.6 | -93.6 | 0 | 0 | 0 | 108.9 | V54 G58 L60 | V54-F56 HydrophobicContact CG1-CD2 3.77Å; V54-F56 HydrophobicContact CG1-CE2 4.25Å; F56-G58 VanDerWaalsContact C-N 3.26Å; F56-G58 PolarHBondContact O-N 3.3Å; F56-L60 HydrophobicContact CD1-CD1 3.49Å; F56-L60 VanDerWaalsContact CD1-CD1 3.49Å; F56-L60 HydrophobicContact CE1-CD1 3.65Å | ||
| 57 | G | 45.1 | Very low | 52.6 | Low | 69 Ų | 69 | 86 Ų | 86 | 71% | 0.711 | 53% | 0.531 | S | S | * | . | trans | -68.9 | 80.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | D55 G59 | D55-G57 PolarHBondContact O-N 3.05Å; G57-G59 PolarHBondContact O-N 2.88Å | ||
| 58 | G | 47.4 | Very low | 52 | Low | 76 Ų | 76 | 88.7 Ų | 88.7 | 78% | 0.784 | 54% | 0.544 | S | S | * | . | S | Bend | trans | 51.6 | -7.7 | 154.3 | 0 | 0 | 0 | 0 | 0 | 121 | F56 | F56-G58 VanDerWaalsContact C-N 3.26Å; F56-G58 PolarHBondContact O-N 3.3Å |
| 59 | G | 52.7 | Low | 51.2 | Low | 33 Ų | 33 | 96 Ų | 96 | 34% | 0.34 | 57% | 0.566 | S | S | . | * | trans | -106.3 | -21.1 | -166.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | G57 A61 A62 Q63 | G57-G59 PolarHBondContact O-N 2.88Å; G59-A61 PolarHBondContact O-N 2.93Å; G59-A62 PolarHBondContact O-N 3.46Å; G59-Q63 WeakPolarHBondContact O-CB 3.24Å; G59-Q63 PolarHBondContact O-N 3.47Å | ||
| 60 | L | 50.9 | Low | 50.6 | Low | 62 Ų | 62 | 96.7 Ų | 96.7 | 33% | 0.325 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -66.6 | -35.9 | -176.3 | -95.2 | 155.3 | 0 | 0 | 0 | 113.2 | D45 F56 A64 | D45-L60 HydrophobicContact CB-CD1 4.17Å; D45-L60 HydrophobicContact CB-CD2 4.48Å; F56-L60 HydrophobicContact CD1-CD1 3.49Å; F56-L60 VanDerWaalsContact CD1-CD1 3.49Å; F56-L60 HydrophobicContact CE1-CD1 3.65Å; L60-A64 WeakPolarHBondContact O-CB 3.23Å; L60-A64 PolarHBondContact O-N 3.38Å |
| 61 | A | 51.3 | Low | 49.7 | Very low | 87 Ų | 87 | 94.9 Ų | 94.9 | 72% | 0.719 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -66.7 | -41.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | G59 G65 | G59-A61 PolarHBondContact O-N 2.93Å; A61-G65 PolarHBondContact O-N 3.27Å; A61-G65 VanDerWaalsContact O-N 3.16Å |
| 62 | A | 49.8 | Very low | 49 | Very low | 58 Ų | 58 | 90.8 Ų | 90.8 | 48% | 0.479 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -73.6 | -37.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | G59 G65 N66 | G59-A62 PolarHBondContact O-N 3.46Å; A62-G65 PolarHBondContact O-N 3.36Å; A62-N66 WeakPolarHBondContact O-CB 3.19Å; A62-N66 VanDerWaalsContact O-CG 3.23Å; A62-N66 PolarHBondContact O-N 3.2Å; A62-N66 PolarHBondContact O-ND2 3.4Å; A62-N66 VanDerWaalsContact O-ND2 3.09Å |
| 63 | Q | 49.7 | Very low | 48.7 | Very low | 95 Ų | 95 | 93.7 Ų | 93.7 | 44% | 0.444 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -74.9 | -33.7 | -179.9 | -154.9 | 172.1 | 23.9 | 0 | 0 | 111.6 | F42 G59 V67 | F42-Q63 HydrophobicContact CE1-CG 4.29Å; G59-Q63 WeakPolarHBondContact O-CB 3.24Å; G59-Q63 PolarHBondContact O-N 3.47Å; Q63-V67 WeakPolarHBondContact O-CB 3.42Å; Q63-V67 WeakPolarHBondContact O-CG2 3.33Å; Q63-V67 PolarHBondContact O-N 3.43Å; Q63-V67 VanDerWaalsContact O-N 3.07Å |
| 64 | A | 51 | Low | 48.3 | Very low | 52 Ų | 52 | 96.8 Ų | 96.8 | 43% | 0.43 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -61.9 | -47.4 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | L60 N66 V67 E68 | L60-A64 WeakPolarHBondContact O-CB 3.23Å; L60-A64 PolarHBondContact O-N 3.38Å; A64-N66 PolarHBondContact O-N 3.28Å; A64-V67 PolarHBondContact O-N 3.29Å; A64-E68 WeakPolarHBondContact O-CG 3.2Å; A64-E68 PolarHBondContact O-N 3.45Å |
| 65 | G | 49.9 | Very low | 47.8 | Very low | 35 Ų | 35 | 95.4 Ų | 95.4 | 36% | 0.361 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -63.6 | -35.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | A61 A62 R69 | A61-G65 PolarHBondContact O-N 3.27Å; A61-G65 VanDerWaalsContact O-N 3.16Å; A62-G65 PolarHBondContact O-N 3.36Å; G65-R69 PolarHBondContact O-N 3.5Å |
| 66 | N | 47.8 | Very low | 47.7 | Very low | 113 Ų | 113 | 92.7 Ų | 92.7 | 60% | 0.604 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -75.3 | -32.5 | 178.3 | -71.5 | -31 | 0 | 0 | 0 | 112.8 | A62 A64 R69 A70 | A62-N66 WeakPolarHBondContact O-CB 3.19Å; A62-N66 VanDerWaalsContact O-CG 3.23Å; A62-N66 PolarHBondContact O-N 3.2Å; A62-N66 PolarHBondContact O-ND2 3.4Å; A62-N66 VanDerWaalsContact O-ND2 3.09Å; A64-N66 PolarHBondContact O-N 3.28Å; N66-R69 PolarHBondContact O-N 2.99Å; N66-A70 PolarHBondContact O-N 3.49Å |
| 67 | V | 50.2 | Low | 47.4 | Very low | 38 Ų | 38 | 98.6 Ų | 98.6 | 23% | 0.23 | 59% | 0.594 | C | S | . | * | H | α-helix | trans | -73.5 | -33.4 | 175.8 | 170.6 | 0 | 0 | 0 | 0 | 111.5 | F42 Q63 A64 R71 | F42-V67 HydrophobicContact CZ-CG2 4.22Å; Q63-V67 WeakPolarHBondContact O-CB 3.42Å; Q63-V67 WeakPolarHBondContact O-CG2 3.33Å; Q63-V67 PolarHBondContact O-N 3.43Å; Q63-V67 VanDerWaalsContact O-N 3.07Å; A64-V67 PolarHBondContact O-N 3.29Å; V67-R71 HydrophobicContact CG1-CG 4.49Å; V67-R71 WeakPolarHBondContact O-CB 3.1Å; V67-R71 WeakPolarHBondContact O-CG 3.19Å; V67-R71 PolarHBondContact O-N 3.33Å |
| 68 | E | 48.1 | Very low | 47.6 | Very low | 125 Ų | 125 | 103.8 Ų | 103.8 | 58% | 0.584 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -66.9 | -39.7 | 172.7 | -74.4 | -166.2 | 114.9 | 0 | 0 | 111.7 | A64 A70 R71 V72 | A64-E68 WeakPolarHBondContact O-CG 3.2Å; A64-E68 PolarHBondContact O-N 3.45Å; E68-A70 VanDerWaalsContact C-N 3.32Å; E68-A70 PolarHBondContact O-N 3.12Å; E68-R71 PolarHBondContact O-N 3.45Å; E68-V72 WeakPolarHBondContact O-CG2 3.44Å; E68-V72 PolarHBondContact O-N 3.46Å |
| 69 | R | 45.3 | Very low | 47.8 | Very low | 219 Ų | 219 | 102.8 Ų | 102.8 | 83% | 0.826 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -68.1 | -30.2 | 178.1 | -140.4 | 176.3 | -165.5 | -149.4 | 2.9 | 113.4 | G65 N66 | G65-R69 PolarHBondContact O-N 3.5Å; N66-R69 PolarHBondContact O-N 2.99Å |
| 70 | A | 44.5 | Very low | 47.6 | Very low | 75 Ų | 75 | 106.4 Ų | 106.4 | 62% | 0.62 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -82.3 | -19.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | N66 E68 | N66-A70 PolarHBondContact O-N 3.49Å; E68-A70 VanDerWaalsContact C-N 3.32Å; E68-A70 PolarHBondContact O-N 3.12Å |
| 71 | R | 44.4 | Very low | 47.5 | Very low | 116 Ų | 116 | 109.2 Ų | 109.2 | 44% | 0.438 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -103 | -9.8 | -173.1 | -71.2 | 178.6 | 173.1 | 174.2 | -3.1 | 114.7 | V67 E68 S73 H74 | V67-R71 HydrophobicContact CG1-CG 4.49Å; V67-R71 WeakPolarHBondContact O-CB 3.1Å; V67-R71 WeakPolarHBondContact O-CG 3.19Å; V67-R71 PolarHBondContact O-N 3.33Å; E68-R71 PolarHBondContact O-N 3.45Å; R71-S73 PolarHBondContact O-N 2.64Å; R71-H74 PolarHBondContact O-N 2.83Å |
| 72 | V | 44.3 | Very low | 47.4 | Very low | 122 Ų | 122 | 108.3 Ų | 108.3 | 74% | 0.739 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.1 | -11.5 | 175.8 | 170.3 | 0 | 0 | 0 | 0 | 112.9 | E68 | E68-V72 WeakPolarHBondContact O-CG2 3.44Å; E68-V72 PolarHBondContact O-N 3.46Å |
| 73 | S | 46.9 | Very low | 47.4 | Very low | 120 Ų | 120 | 111.9 Ų | 111.9 | 84% | 0.839 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.2 | -3.5 | 178.5 | -134.5 | 0 | 0 | 0 | 0 | 114.8 | R71 | R71-S73 PolarHBondContact O-N 2.64Š|
| 74 | H | 41.5 | Very low | 47.4 | Very low | 163 Ų | 163 | 115.5 Ų | 115.5 | 76% | 0.755 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -137.1 | 75.9 | -171.8 | -160 | -75.6 | 0 | 0 | 0 | 113 | R71 D76 | R71-H74 PolarHBondContact O-N 2.83Å; H74-D76 PolarHBondContact O-N 3.33Å |
| 75 | G | 38.8 | Very low | 47.4 | Very low | 85 Ų | 85 | 116 Ų | 116 | 88% | 0.876 | 62% | 0.618 | S | S | * | * | trans | 73.6 | 13.9 | 136.1 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 76 | D | 48.9 | Very low | 47.4 | Very low | 83 Ų | 83 | 118.2 Ų | 118.2 | 44% | 0.444 | 63% | 0.628 | S | S | . | * | trans | -122.5 | 75.6 | -170.1 | -148.5 | -59.5 | 0 | 0 | 0 | 114.7 | H74 Q78 T79 | H74-D76 PolarHBondContact O-N 3.33Å; D76-Q78 PolarHBondContact O-N 3Å; D76-Q78 PolarHBondContact OD1-N 3.45Å; D76-T79 WeakPolarHBondContact OD1-CB 3.48Å; D76-T79 WeakPolarHBondContact OD1-CG2 3.44Å; D76-T79 PolarHBondContact OD1-N 2.84Å; D76-T79 PolarHBondContact OD1-OG1 3.09Å | ||
| 77 | R | 46.1 | Very low | 47.7 | Very low | 244 Ų | 244 | 118 Ų | 118 | 92% | 0.921 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -72.8 | -7.5 | 174.2 | -108.3 | 178 | 179.4 | 146.4 | -1 | 113.9 | ||
| 78 | Q | 50.9 | Low | 47.9 | Very low | 178 Ų | 178 | 122 Ų | 122 | 83% | 0.832 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -105.2 | -22.4 | -174.4 | -84.8 | -177.7 | -20.7 | 0 | 0 | 114.3 | D76 H80 | D76-Q78 PolarHBondContact O-N 3Å; D76-Q78 PolarHBondContact OD1-N 3.45Å; Q78-H80 VanDerWaalsContact C-N 3.32Å; Q78-H80 PolarHBondContact O-N 3.43Å |
| 79 | T | 51.1 | Low | 48 | Very low | 55 Ų | 55 | 124.6 Ų | 124.6 | 34% | 0.337 | 65% | 0.651 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.4 | -8 | 175.6 | 51.4 | 0 | 0 | 0 | 0 | 114.6 | D76 V81 | D76-T79 WeakPolarHBondContact OD1-CB 3.48Å; D76-T79 WeakPolarHBondContact OD1-CG2 3.44Å; D76-T79 PolarHBondContact OD1-N 2.84Å; D76-T79 PolarHBondContact OD1-OG1 3.09Å; T79-V81 PolarHBondContact O-N 3.33Å |
| 80 | H | 48.9 | Very low | 48.3 | Very low | 110 Ų | 110 | 118.6 Ų | 118.6 | 51% | 0.509 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -73.4 | -21.2 | -177.6 | -98.2 | -82.4 | 0 | 0 | 0 | 114.9 | Q78 | Q78-H80 VanDerWaalsContact C-N 3.32Å; Q78-H80 PolarHBondContact O-N 3.43Å |
| 81 | V | 48.5 | Very low | 48.9 | Very low | 120 Ų | 120 | 118.2 Ų | 118.2 | 73% | 0.727 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -82.1 | -36.4 | -176.4 | -176.5 | 0 | 0 | 0 | 0 | 112 | T79 | T79-V81 PolarHBondContact O-N 3.33Å |
| 82 | A | 48.4 | Very low | 49.4 | Very low | 68 Ų | 68 | 118.8 Ų | 118.8 | 56% | 0.562 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -77.4 | -26.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | S86 | A82-S86 PolarHBondContact O-OG 3.4Å |
| 83 | R | 50.7 | Low | 49.7 | Very low | 134 Ų | 134 | 120.9 Ų | 120.9 | 51% | 0.506 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -76.1 | -34.4 | -178.7 | -78.8 | -176.9 | 169 | 166.9 | 3.2 | 113.9 | V87 | R83-V87 PolarHBondContact O-N 3.21Å |
| 84 | K | 49.6 | Very low | 49.6 | Very low | 171 Ų | 171 | 121 Ų | 121 | 74% | 0.743 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -67.6 | -39.2 | 176.1 | -99.4 | -173 | 172.5 | -172.3 | 0 | 112.7 | S86 Q88 | K84-S86 VanDerWaalsContact C-N 3.35Å; K84-S86 PolarHBondContact O-N 3.07Å; K84-Q88 WeakPolarHBondContact O-CB 3.2Å; K84-Q88 PolarHBondContact O-N 3.5Å; K84-Q88 VanDerWaalsContact O-N 3.12Å |
| 85 | A | 49.8 | Very low | 50 | Low | 63 Ų | 63 | 118.9 Ų | 118.9 | 52% | 0.521 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -68.3 | -34.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | R89 | A85-R89 PolarHBondContact O-N 3.41Å |
| 86 | S | 51.6 | Low | 50.6 | Low | 81 Ų | 81 | 120.6 Ų | 120.6 | 57% | 0.566 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -81 | -33.7 | -174 | -48.9 | 0 | 0 | 0 | 0 | 112.7 | A82 K84 | A82-S86 PolarHBondContact O-OG 3.4Å; K84-S86 VanDerWaalsContact C-N 3.35Å; K84-S86 PolarHBondContact O-N 3.07Å |
| 87 | V | 52.8 | Low | 50.7 | Low | 108 Ų | 108 | 122.7 Ų | 122.7 | 66% | 0.655 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -80.7 | -35.2 | 176.4 | 179.4 | 0 | 0 | 0 | 0 | 111.1 | R83 C90 A91 | R83-V87 PolarHBondContact O-N 3.21Å; V87-C90 PolarHBondContact O-N 3.24Å; V87-A91 PolarHBondContact O-N 3.05Å |
| 88 | Q | 54.6 | Low | 51 | Low | 121 Ų | 121 | 115.6 Ų | 115.6 | 57% | 0.565 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -67.7 | -36.5 | 177.4 | -169.6 | 64.2 | 55.2 | 0 | 0 | 112.4 | K84 C90 A91 D92 | K84-Q88 WeakPolarHBondContact O-CB 3.2Å; K84-Q88 PolarHBondContact O-N 3.5Å; K84-Q88 VanDerWaalsContact O-N 3.12Å; Q88-C90 PolarHBondContact O-N 2.83Å; Q88-A91 PolarHBondContact O-N 3.39Å; Q88-D92 WeakPolarHBondContact O-CB 3.39Å; Q88-D92 PolarHBondContact O-N 3.16Å; Q88-D92 VanDerWaalsContact O-N 3.12Å |
| 89 | R | 50.1 | Low | 51 | Low | 181 Ų | 181 | 111.7 Ų | 111.7 | 68% | 0.683 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -64.8 | -37.7 | 176.3 | -88.9 | -155.8 | 177.5 | -162.2 | -0.5 | 113.3 | A85 A91 D92 E93 | A85-R89 PolarHBondContact O-N 3.41Å; R89-A91 VanDerWaalsContact C-N 3.27Å; R89-A91 PolarHBondContact O-N 3.48Å; R89-D92 PolarHBondContact O-N 3.24Å; R89-E93 PolarHBondContact O-N 3.12Å |
| 90 | C | 51.4 | Low | 51 | Low | 93 Ų | 93 | 115.5 Ų | 115.5 | 63% | 0.628 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -73.7 | -17.4 | 176.5 | -66.8 | 0 | 0 | 0 | 0 | 113.6 | V87 Q88 | V87-C90 PolarHBondContact O-N 3.24Å; Q88-C90 PolarHBondContact O-N 2.83Å |
| 91 | A | 56.7 | Low | 51.2 | Low | 67 Ų | 67 | 115.9 Ų | 115.9 | 55% | 0.554 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -94.5 | -13.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | V87 Q88 R89 | V87-A91 PolarHBondContact O-N 3.05Å; Q88-A91 PolarHBondContact O-N 3.39Å; R89-A91 VanDerWaalsContact C-N 3.27Å; R89-A91 PolarHBondContact O-N 3.48Å |
| 92 | D | 55.4 | Low | 51.4 | Low | 128 Ų | 128 | 115.5 Ų | 115.5 | 68% | 0.684 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -101.7 | -24.4 | -178.4 | -161.9 | -112.1 | 0 | 0 | 0 | 112.4 | Q88 R89 | Q88-D92 WeakPolarHBondContact O-CB 3.39Å; Q88-D92 PolarHBondContact O-N 3.16Å; Q88-D92 VanDerWaalsContact O-N 3.12Å; R89-D92 PolarHBondContact O-N 3.24Å |
| 93 | E | 51.2 | Low | 51.6 | Low | 165 Ų | 165 | 119.5 Ų | 119.5 | 77% | 0.771 | 68% | 0.678 | S | S | * | * | trans | -98.4 | 13.6 | 177.7 | -68.3 | -160.1 | 99.8 | 0 | 0 | 114.5 | R89 | R89-E93 PolarHBondContact O-N 3.12Š| ||
| 94 | G | 45.5 | Very low | 51.7 | Low | 122 Ų | 122 | 118.2 Ų | 118.2 | 100% | 1.258 | 69% | 0.694 | S | S | * | * | trans | -122.5 | 0 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.7 |
Retrieved 94 of 94 residues in 376.5 ms
(Link to these results)