| 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 | 55.7 | Low | 60.4 | Low | 243 Ų | 243 | 142.3 Ų | 142.3 | 100% | 1.197 | 78% | 0.783 | S | S | * | * | 0 | 113.1 | 0 | -69.5 | 165.8 | 172.8 | 0 | 0 | 107.3 | |||||
| 2 | A | 42.8 | Very low | 62.5 | Low | 106 Ų | 106 | 140.5 Ų | 140.5 | 88% | 0.876 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 144.1 | 174 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||
| 3 | Q | 54.1 | Low | 64.9 | Low | 190 Ų | 190 | 138.2 Ų | 138.2 | 89% | 0.888 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -90.7 | 116.4 | 172.8 | -70.1 | -179.9 | -13.5 | 0 | 0 | 108 | ||
| 4 | E | 54.8 | Low | 67.1 | Low | 179 Ų | 179 | 128.6 Ų | 128.6 | 84% | 0.836 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 149 | -173.2 | -154.6 | 171.1 | 93 | 0 | 0 | 111.7 | ||
| 5 | T | 57.2 | Low | 68.9 | Low | 124 Ų | 124 | 125.7 Ų | 125.7 | 76% | 0.761 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 156.6 | -151.9 | 47.2 | 0 | 0 | 0 | 0 | 115.1 | H7 | T5-H7 VanDerWaalsContact C-N 3.33Å; T5-H7 PolarHBondContact O-N 2.93Å |
| 6 | N | 62.7 | Low | 70.3 | Confident | 159 Ų | 159 | 122.3 Ų | 122.3 | 85% | 0.85 | 68% | 0.678 | S | S | * | * | trans | -69 | 86.2 | 174 | -171.4 | -99.1 | 0 | 0 | 0 | 110.2 | S8 | N6-S8 PolarHBondContact O-N 2.93Š| ||
| 7 | H | 62.1 | Low | 71.6 | Confident | 139 Ų | 139 | 119.1 Ų | 119.1 | 64% | 0.644 | 68% | 0.68 | S | S | * | * | trans | -73.3 | 108.7 | 175 | -179.7 | 45.9 | 0 | 0 | 0 | 109.8 | T5 Q9 | T5-H7 VanDerWaalsContact C-N 3.33Å; T5-H7 PolarHBondContact O-N 2.93Å; H7-Q9 VanDerWaalsContact C-N 3.32Å; H7-Q9 VanDerWaalsContact CD2-CG 3.43Å; H7-Q9 WeakPolarHBondContact CD2-CG 3.42Å; H7-Q9 PolarHBondContact CD2-NE2 2.79Å; H7-Q9 WeakPolarHBondContact NE2-CG 3.39Å; H7-Q9 PolarHBondContact NE2-NE2 2.91Å; H7-Q9 PolarHBondContact O-N 2.69Å | ||
| 8 | S | 59.6 | Low | 72.8 | Confident | 105 Ų | 105 | 116.1 Ų | 116.1 | 73% | 0.734 | 67% | 0.666 | S | S | * | * | trans | -72.7 | 76.9 | -175.6 | 57.8 | 0 | 0 | 0 | 0 | 112.4 | N6 | N6-S8 PolarHBondContact O-N 2.93Š| ||
| 9 | Q | 66.4 | Low | 73.9 | Confident | 107 Ų | 107 | 113.1 Ų | 113.1 | 50% | 0.5 | 66% | 0.663 | S | S | . | * | trans | -81.5 | 147.7 | 169.1 | -62.9 | -167 | -16.3 | 0 | 0 | 110.8 | H7 P24 | H7-Q9 VanDerWaalsContact C-N 3.32Å; H7-Q9 VanDerWaalsContact CD2-CG 3.43Å; H7-Q9 WeakPolarHBondContact CD2-CG 3.42Å; H7-Q9 PolarHBondContact CD2-NE2 2.79Å; H7-Q9 WeakPolarHBondContact NE2-CG 3.39Å; H7-Q9 PolarHBondContact NE2-NE2 2.91Å; H7-Q9 PolarHBondContact O-N 2.69Å; Q9-P24 VanDerWaalsContact OE1-CG 3.29Å | ||
| 10 | V | 70.9 | Confident | 74.8 | Confident | 120 Ų | 120 | 113.9 Ų | 113.9 | 73% | 0.727 | 66% | 0.658 | S | S | * | * | trans | -57.2 | 133.7 | 178.2 | 179.7 | 0 | 0 | 0 | 0 | 109.5 | M12 | V10-M12 PolarHBondContact O-N 2.89Š| ||
| 11 | P | 78.4 | Confident | 75.8 | Confident | 93 Ų | 93 | 115.3 Ų | 115.3 | 60% | 0.604 | 65% | 0.654 | S | S | * | * | trans | -62.7 | 94.3 | -178.8 | -25.4 | 35.9 | 0 | 0 | 0 | 113.2 | Y21 | P11-Y21 HydrophobicContact CB-CD1 3.61Å; P11-Y21 HydrophobicContact CB-CE1 3.52Å | ||
| 12 | M | 85.1 | Confident | 77.6 | Confident | 121 Ų | 121 | 104.3 Ų | 104.3 | 60% | 0.596 | 60% | 0.603 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 140.6 | 174.6 | -63.4 | -62 | -74.4 | 0 | 0 | 110.6 | V10 Y21 G22 | V10-M12 PolarHBondContact O-N 2.89Å; M12-Y21 CarbonylContact O-C 3.47Å; M12-Y21 WeakPolarHBondContact O-CA 3.34Å; M12-G22 PolarHBondContact O-N 3.26Å |
| 13 | L | 94.1 | Very high | 79.9 | Confident | 110 Ų | 110 | 103 Ų | 103 | 58% | 0.576 | 58% | 0.581 | S | S | * | * | B | Isolated β-bridge | trans | -75.4 | 157.4 | 169.6 | -71.9 | 170.3 | 0 | 0 | 0 | 111 | S15 Y21 | L13-S15 PolarHBondContact O-N 3.23Å; L13-Y21 HydrophobicContact CD2-CD1 4.41Å; L13-Y21 HydrophobicContact CD2-CE1 4.44Å |
| 14 | C | 95.3 | Very high | 81.5 | Confident | 5 Ų | 5 | 97.4 Ų | 97.4 | 3% | 0.034 | 56% | 0.561 | C | S | . | * | P | Polyproline II helix | trans | -59.2 | 129.6 | 180 | -177.6 | 0 | 0 | 0 | 0 | 111.6 | T16 G17 C18 F20 G28 C30 | C14-T16 PolarHBondContact O-N 2.86Å; C14-G17 PolarHBondContact O-N 3.29Å; C14-C18 WeakPolarHBondContact CB-SG 3.4Å; C14-C18 PolarHBondContact SG-SG 2.9Å; C14-F20 WeakPolarHBondContact CB-O 3.4Å; C14-F20 PolarHBondContact N-O 3.33Å; C14-G28 CarbonylContact C-O 3.58Å; C14-G28 VanDerWaalsContact CA-O 3.25Å; C14-G28 WeakPolarHBondContact CA-O 3.34Å; C14-C30 HydrophobicContact CB-CB 4.17Å; C14-C30 PolarHBondContact SG-N 3.35Å |
| 15 | S | 94.4 | Very high | 83.1 | Confident | 84 Ų | 84 | 98.9 Ų | 98.9 | 59% | 0.587 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.6 | -20.8 | 175.9 | -49 | 0 | 0 | 0 | 0 | 114.2 | L13 G17 N27 G28 | L13-S15 PolarHBondContact O-N 3.23Å; S15-G17 VanDerWaalsContact C-N 3.33Å; S15-N27 PolarHBondContact OG-O 3.24Å; S15-G28 PolarHBondContact N-O 2.71Å; S15-G28 VanDerWaalsContact OG-C 3.22Å; S15-G28 WeakPolarHBondContact OG-CA 3.2Å; S15-G28 PolarHBondContact OG-O 3.35Å |
| 16 | T | 92.1 | Very high | 84.7 | Confident | 72 Ų | 72 | 94.2 Ų | 94.2 | 44% | 0.442 | 53% | 0.53 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | 4.4 | 176.2 | -39.1 | 0 | 0 | 0 | 0 | 113.1 | C14 C18 M29 C33 | C14-T16 PolarHBondContact O-N 2.86Å; T16-C18 VanDerWaalsContact C-N 3.27Å; T16-C18 PolarHBondContact O-N 3.38Å; T16-M29 VanDerWaalsContact OG1-CE 3.3Å; T16-M29 WeakPolarHBondContact OG1-CE 3.33Å; T16-C33 HydrophobicContact CG2-CB 4.28Å; T16-C33 WeakPolarHBondContact OG1-CB 3.39Å |
| 17 | G | 91.8 | Very high | 86 | Confident | 68 Ų | 68 | 93 Ų | 93 | 70% | 0.701 | 52% | 0.524 | S | S | * | . | trans | 74 | 4.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 116 | C14 S15 G19 | C14-G17 PolarHBondContact O-N 3.29Å; S15-G17 VanDerWaalsContact C-N 3.33Å; G17-G19 PolarHBondContact O-N 3.47Å | ||
| 18 | C | 93.4 | Very high | 87.4 | Confident | 65 Ų | 65 | 87 Ų | 87 | 44% | 0.439 | 50% | 0.5 | S | S | . | . | S | Bend | trans | -74.8 | 17.1 | -171.2 | 68 | 0 | 0 | 0 | 0 | 116.2 | C14 T16 F20 C30 | C14-C18 WeakPolarHBondContact CB-SG 3.4Å; C14-C18 PolarHBondContact SG-SG 2.9Å; T16-C18 VanDerWaalsContact C-N 3.27Å; T16-C18 PolarHBondContact O-N 3.38Å; C18-F20 PolarHBondContact O-N 2.8Å; C18-C30 VanDerWaalsContact SG-SG 3.61Å |
| 19 | G | 92.7 | Very high | 89.1 | Confident | 59 Ų | 59 | 83.2 Ų | 83.2 | 61% | 0.608 | 47% | 0.471 | S | S | * | . | S | Bend | trans | 70.3 | -10.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | G17 | G17-G19 PolarHBondContact O-N 3.47Š|
| 20 | F | 93.6 | Very high | 90.4 | Very high | 129 Ų | 129 | 78.4 Ų | 78.4 | 57% | 0.566 | 45% | 0.449 | S | S | * | . | S | Bend | trans | -88.8 | 159.2 | 175.4 | -157.6 | -93.6 | 0 | 0 | 0 | 112 | C14 C18 C30 | C14-F20 WeakPolarHBondContact CB-O 3.4Å; C14-F20 PolarHBondContact N-O 3.33Å; C18-F20 PolarHBondContact O-N 2.8Å; F20-C30 HydrophobicContact CB-CB 4.2Å; F20-C30 HydrophobicContact CD1-CB 3.79Å; F20-C30 HydrophobicContact CG-CB 4.42Å |
| 21 | Y | 94.4 | Very high | 91.4 | Very high | 143 Ų | 143 | 77.1 Ų | 77.1 | 56% | 0.561 | 45% | 0.445 | S | S | * | . | B | Isolated β-bridge | trans | -69.9 | 138.3 | 177.8 | -62.4 | -69.9 | 0 | 0 | 0 | 113.1 | P11 M12 L13 C30 | P11-Y21 HydrophobicContact CB-CD1 3.61Å; P11-Y21 HydrophobicContact CB-CE1 3.52Å; M12-Y21 CarbonylContact O-C 3.47Å; M12-Y21 WeakPolarHBondContact O-CA 3.34Å; L13-Y21 HydrophobicContact CD2-CD1 4.41Å; L13-Y21 HydrophobicContact CD2-CE1 4.44Å; Y21-C30 WeakPolarHBondContact O-CB 3.46Å |
| 22 | G | 93.6 | Very high | 92.2 | Very high | 12 Ų | 12 | 77.7 Ų | 77.7 | 12% | 0.124 | 45% | 0.447 | C | S | . | . | P | Polyproline II helix | trans | -91.7 | 148.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | M12 G28 | M12-G22 PolarHBondContact O-N 3.26Å; G22-G28 WeakPolarHBondContact CA-O 3.27Å |
| 23 | N | 90.4 | Very high | 92.7 | Very high | 78 Ų | 78 | 72.5 Ų | 72.5 | 42% | 0.417 | 42% | 0.423 | S | S | . | . | B | Isolated β-bridge | trans | -99.7 | 126.1 | 170.2 | -175.2 | -19.1 | 0 | 0 | 0 | 109.9 | R25 T26 G28 M29 | N23-R25 PolarHBondContact O-N 2.71Å; N23-R25 VanDerWaalsContact O-N 3.16Å; N23-R25 WeakPolarHBondContact OD1-CB 3.34Å; N23-R25 PolarHBondContact OD1-N 2.9Å; N23-T26 WeakPolarHBondContact CB-OG1 3.5Å; N23-T26 CarbonylContact O-C 3.6Å; N23-T26 PolarHBondContact O-N 3.06Å; N23-T26 PolarHBondContact O-OG1 2.9Å; N23-G28 WeakPolarHBondContact O-CA 3.43Å; N23-G28 PolarHBondContact O-N 2.92Å; N23-M29 PolarHBondContact N-O 2.96Å; N23-M29 VanDerWaalsContact N-O 3.11Å |
| 24 | P | 89.3 | Confident | 92.7 | Very high | 73 Ų | 73 | 71.2 Ų | 71.2 | 47% | 0.474 | 41% | 0.41 | S | S | . | . | G | 310 helix | trans | -52.1 | -33.9 | 174.2 | -28.1 | 34.7 | 0 | 0 | 0 | 113.8 | Q9 T26 N27 | Q9-P24 VanDerWaalsContact OE1-CG 3.29Å; P24-T26 PolarHBondContact O-N 3.44Å; P24-N27 PolarHBondContact O-N 3.15Å |
| 25 | R | 88.6 | Confident | 92.7 | Very high | 210 Ų | 210 | 78.5 Ų | 78.5 | 79% | 0.792 | 44% | 0.442 | S | S | * | . | G | 310 helix | trans | -68.7 | -12.3 | 177.2 | -62.1 | -175.7 | 176.8 | -174 | -3.2 | 114.2 | N23 | N23-R25 PolarHBondContact O-N 2.71Å; N23-R25 VanDerWaalsContact O-N 3.16Å; N23-R25 WeakPolarHBondContact OD1-CB 3.34Å; N23-R25 PolarHBondContact OD1-N 2.9Å |
| 26 | T | 89.9 | Confident | 92.7 | Very high | 26 Ų | 26 | 78.6 Ų | 78.6 | 16% | 0.16 | 43% | 0.433 | C | S | . | . | G | 310 helix | trans | -124.5 | 44.8 | 177.9 | 52.8 | 0 | 0 | 0 | 0 | 110.6 | N23 P24 G28 M29 Y34 | N23-T26 WeakPolarHBondContact CB-OG1 3.5Å; N23-T26 CarbonylContact O-C 3.6Å; N23-T26 PolarHBondContact O-N 3.06Å; N23-T26 PolarHBondContact O-OG1 2.9Å; P24-T26 PolarHBondContact O-N 3.44Å; T26-G28 PolarHBondContact O-N 2.84Å; T26-G28 VanDerWaalsContact O-N 3.14Å; T26-M29 VanDerWaalsContact O-CB 3.26Å; T26-M29 WeakPolarHBondContact O-CB 3.3Å; T26-M29 WeakPolarHBondContact O-CG 3.38Å; T26-M29 PolarHBondContact O-N 2.98Å; T26-M29 PolarHBondContact OG1-O 3.47Å; T26-Y34 HydrophobicContact CG2-CD1 3.81Å; T26-Y34 HydrophobicContact CG2-CD2 4Å; T26-Y34 HydrophobicContact CG2-CE1 3.8Å; T26-Y34 HydrophobicContact CG2-CE2 3.98Å; T26-Y34 HydrophobicContact CG2-CG 3.91Å |
| 27 | N | 89.9 | Confident | 92.7 | Very high | 133 Ų | 133 | 79.3 Ų | 79.3 | 71% | 0.711 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.1 | 32.4 | 177.6 | -63.1 | 73.8 | 0 | 0 | 0 | 114.1 | S15 P24 M29 | S15-N27 PolarHBondContact OG-O 3.24Å; P24-N27 PolarHBondContact O-N 3.15Å; N27-M29 PolarHBondContact O-N 3.07Å |
| 28 | G | 92.1 | Very high | 92.7 | Very high | 14 Ų | 14 | 79.9 Ų | 79.9 | 14% | 0.144 | 42% | 0.418 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 71.8 | 9.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | C14 S15 G22 N23 T26 | C14-G28 CarbonylContact C-O 3.58Å; C14-G28 VanDerWaalsContact CA-O 3.25Å; C14-G28 WeakPolarHBondContact CA-O 3.34Å; S15-G28 PolarHBondContact N-O 2.71Å; S15-G28 VanDerWaalsContact OG-C 3.22Å; S15-G28 WeakPolarHBondContact OG-CA 3.2Å; S15-G28 PolarHBondContact OG-O 3.35Å; G22-G28 WeakPolarHBondContact CA-O 3.27Å; N23-G28 WeakPolarHBondContact O-CA 3.43Å; N23-G28 PolarHBondContact O-N 2.92Å; T26-G28 PolarHBondContact O-N 2.84Å; T26-G28 VanDerWaalsContact O-N 3.14Å |
| 29 | M | 94.8 | Very high | 92.6 | Very high | 25 Ų | 25 | 82.4 Ų | 82.4 | 12% | 0.123 | 42% | 0.423 | C | S | . | . | B | Isolated β-bridge | trans | -83.6 | 149.1 | 176.3 | -53.2 | -176.1 | 105.4 | 0 | 0 | 111.1 | T16 N23 T26 N27 C33 Y34 H37 | T16-M29 VanDerWaalsContact OG1-CE 3.3Å; T16-M29 WeakPolarHBondContact OG1-CE 3.33Å; N23-M29 PolarHBondContact N-O 2.96Å; N23-M29 VanDerWaalsContact N-O 3.11Å; T26-M29 VanDerWaalsContact O-CB 3.26Å; T26-M29 WeakPolarHBondContact O-CB 3.3Å; T26-M29 WeakPolarHBondContact O-CG 3.38Å; T26-M29 PolarHBondContact O-N 2.98Å; T26-M29 PolarHBondContact OG1-O 3.47Å; N27-M29 PolarHBondContact O-N 3.07Å; M29-C33 HydrophobicContact CE-CB 4.46Å; M29-Y34 HydrophobicContact CB-CD2 4.46Å; M29-Y34 HydrophobicContact SD-CD2 4.21Å; M29-H37 HydrophobicContact CE-CB 3.74Å; M29-H37 HydrophobicContact SD-CB 3.73Å |
| 30 | C | 94.6 | Very high | 92.4 | Very high | 6 Ų | 6 | 87.4 Ų | 87.4 | 4% | 0.041 | 42% | 0.424 | C | S | . | . | trans | -74.8 | 166.1 | 167.3 | 75.4 | 0 | 0 | 0 | 0 | 111.5 | C14 C18 F20 Y21 V32 C33 Y34 | C14-C30 HydrophobicContact CB-CB 4.17Å; C14-C30 PolarHBondContact SG-N 3.35Å; C18-C30 VanDerWaalsContact SG-SG 3.61Å; F20-C30 HydrophobicContact CB-CB 4.2Å; F20-C30 HydrophobicContact CD1-CB 3.79Å; F20-C30 HydrophobicContact CG-CB 4.42Å; Y21-C30 WeakPolarHBondContact O-CB 3.46Å; C30-V32 PolarHBondContact O-N 3.4Å; C30-V32 VanDerWaalsContact O-N 3.14Å; C30-C33 PolarHBondContact O-N 2.98Å; C30-C33 PolarHBondContact SG-N 3.42Å; C30-C33 VanDerWaalsContact SG-N 3.42Å; C30-C33 VanDerWaalsContact SG-SG 3.63Å; C30-Y34 VanDerWaalsContact O-CB 3.22Å; C30-Y34 WeakPolarHBondContact O-CB 3.22Å; C30-Y34 PolarHBondContact O-N 3.28Å | ||
| 31 | S | 92.2 | Very high | 92.1 | Very high | 93 Ų | 93 | 85.7 Ų | 85.7 | 65% | 0.65 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -59.5 | -26.1 | -177.9 | 54.9 | 0 | 0 | 0 | 0 | 114.8 | ||
| 32 | V | 94.9 | Very high | 91.8 | Very high | 106 Ų | 106 | 84.4 Ų | 84.4 | 64% | 0.642 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -79 | -57.9 | 176.6 | -177.9 | 0 | 0 | 0 | 0 | 110.6 | C30 Y34 K35 E36 | C30-V32 PolarHBondContact O-N 3.4Å; C30-V32 VanDerWaalsContact O-N 3.14Å; V32-Y34 VanDerWaalsContact C-N 3.28Å; V32-Y34 PolarHBondContact O-N 2.9Å; V32-K35 WeakPolarHBondContact O-CB 3.37Å; V32-K35 PolarHBondContact O-N 3.47Å; V32-K35 VanDerWaalsContact O-N 3.09Å; V32-E36 PolarHBondContact O-N 3.33Å |
| 33 | C | 95.3 | Very high | 91.2 | Very high | 12 Ų | 12 | 87.8 Ų | 87.8 | 8% | 0.081 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -66.2 | -29.1 | -178.4 | -58.9 | 0 | 0 | 0 | 0 | 112.5 | T16 M29 C30 E36 H37 | T16-C33 HydrophobicContact CG2-CB 4.28Å; T16-C33 WeakPolarHBondContact OG1-CB 3.39Å; M29-C33 HydrophobicContact CE-CB 4.46Å; C30-C33 PolarHBondContact O-N 2.98Å; C30-C33 PolarHBondContact SG-N 3.42Å; C30-C33 VanDerWaalsContact SG-N 3.42Å; C30-C33 VanDerWaalsContact SG-SG 3.63Å; C33-E36 PolarHBondContact O-N 3.37Å; C33-H37 WeakPolarHBondContact O-CB 3.38Å; C33-H37 PolarHBondContact O-N 2.94Å |
| 34 | Y | 94.3 | Very high | 90.3 | Very high | 82 Ų | 82 | 87.4 Ų | 87.4 | 32% | 0.322 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -66 | -39.3 | 171.9 | -174.7 | -109.9 | 0 | 0 | 0 | 112.2 | T26 M29 C30 V32 H37 L38 | T26-Y34 HydrophobicContact CG2-CD1 3.81Å; T26-Y34 HydrophobicContact CG2-CD2 4Å; T26-Y34 HydrophobicContact CG2-CE1 3.8Å; T26-Y34 HydrophobicContact CG2-CE2 3.98Å; T26-Y34 HydrophobicContact CG2-CG 3.91Å; M29-Y34 HydrophobicContact CB-CD2 4.46Å; M29-Y34 HydrophobicContact SD-CD2 4.21Å; C30-Y34 VanDerWaalsContact O-CB 3.22Å; C30-Y34 WeakPolarHBondContact O-CB 3.22Å; C30-Y34 PolarHBondContact O-N 3.28Å; V32-Y34 VanDerWaalsContact C-N 3.28Å; V32-Y34 PolarHBondContact O-N 2.9Å; Y34-H37 PolarHBondContact O-N 3.03Å; Y34-L38 WeakPolarHBondContact O-CB 3.4Å; Y34-L38 PolarHBondContact O-N 2.85Å |
| 35 | K | 94.4 | Very high | 89 | Confident | 158 Ų | 158 | 89.2 Ų | 89.2 | 69% | 0.687 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -64.9 | -41.6 | 174.2 | -176.8 | -179.3 | -66.6 | -174 | 0 | 111.1 | V32 L38 Q39 | V32-K35 WeakPolarHBondContact O-CB 3.37Å; V32-K35 PolarHBondContact O-N 3.47Å; V32-K35 VanDerWaalsContact O-N 3.09Å; K35-L38 PolarHBondContact O-N 3.32Å; K35-Q39 WeakPolarHBondContact O-CB 3.21Å; K35-Q39 PolarHBondContact O-N 3.09Å |
| 36 | E | 94.3 | Very high | 87.4 | Confident | 87 Ų | 87 | 82.6 Ų | 82.6 | 41% | 0.407 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -63 | -44 | 175 | -164.5 | -162.5 | 151.4 | 0 | 0 | 111.7 | V32 C33 Q39 R40 | V32-E36 PolarHBondContact O-N 3.33Å; C33-E36 PolarHBondContact O-N 3.37Å; E36-Q39 PolarHBondContact O-N 3.14Å; E36-R40 WeakPolarHBondContact O-CG 3.26Å; E36-R40 PolarHBondContact O-N 2.86Å; E36-R40 IonicContact OE1-CZ 2.79Å; E36-R40 IonicContact OE1-NE 3.8Å; E36-R40 PolarHBondContact OE1-NE 3Å; E36-R40 IonicContact OE1-NH2 2.67Å; E36-R40 PolarHBondContact OE1-NH2 3.41Å |
| 37 | H | 91.9 | Very high | 85.4 | Confident | 86 Ų | 86 | 92.6 Ų | 92.6 | 40% | 0.398 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60.6 | -47.3 | 176.2 | -173.7 | 80 | 0 | 0 | 0 | 111.8 | M29 C33 Y34 Q39 R40 Q41 | M29-H37 HydrophobicContact CE-CB 3.74Å; M29-H37 HydrophobicContact SD-CB 3.73Å; C33-H37 WeakPolarHBondContact O-CB 3.38Å; C33-H37 PolarHBondContact O-N 2.94Å; Y34-H37 PolarHBondContact O-N 3.03Å; H37-Q39 VanDerWaalsContact C-N 3.33Å; H37-Q39 PolarHBondContact O-N 3.14Å; H37-R40 PolarHBondContact O-N 3.11Å; H37-Q41 WeakPolarHBondContact O-CB 3.47Å; H37-Q41 PolarHBondContact O-N 2.86Å |
| 38 | L | 92.5 | Very high | 83.8 | Confident | 81 Ų | 81 | 93.6 Ų | 93.6 | 42% | 0.424 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.9 | -36.7 | 176.8 | -173.4 | 64 | 0 | 0 | 0 | 112.2 | Y34 K35 Q41 N42 | Y34-L38 WeakPolarHBondContact O-CB 3.4Å; Y34-L38 PolarHBondContact O-N 2.85Å; K35-L38 PolarHBondContact O-N 3.32Å; L38-Q41 PolarHBondContact O-N 3.18Å; L38-N42 VanDerWaalsContact O-CB 3.27Å; L38-N42 WeakPolarHBondContact O-CB 3.25Å; L38-N42 PolarHBondContact O-N 3.19Å |
| 39 | Q | 92.1 | Very high | 81.7 | Confident | 118 Ų | 118 | 98 Ų | 98 | 55% | 0.551 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64.9 | -44.2 | 174.1 | -178.2 | 62 | 64.2 | 0 | 0 | 111.7 | K35 E36 H37 S43 | K35-Q39 WeakPolarHBondContact O-CB 3.21Å; K35-Q39 PolarHBondContact O-N 3.09Å; E36-Q39 PolarHBondContact O-N 3.14Å; H37-Q39 VanDerWaalsContact C-N 3.33Å; H37-Q39 PolarHBondContact O-N 3.14Å; Q39-S43 PolarHBondContact NE2-OG 2.87Å; Q39-S43 WeakPolarHBondContact O-CB 3.4Å; Q39-S43 PolarHBondContact O-N 2.83Å; Q39-S43 PolarHBondContact O-OG 2.8Å |
| 40 | R | 88.3 | Confident | 80.3 | Confident | 164 Ų | 164 | 102.1 Ų | 102.1 | 62% | 0.619 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -64.1 | -44 | 174.9 | -71.2 | 173.6 | -178 | -86.8 | 4.6 | 111.1 | E36 H37 S43 S44 | E36-R40 WeakPolarHBondContact O-CG 3.26Å; E36-R40 PolarHBondContact O-N 2.86Å; E36-R40 IonicContact OE1-CZ 2.79Å; E36-R40 IonicContact OE1-NE 3.8Å; E36-R40 PolarHBondContact OE1-NE 3Å; E36-R40 IonicContact OE1-NH2 2.67Å; E36-R40 PolarHBondContact OE1-NH2 3.41Å; H37-R40 PolarHBondContact O-N 3.11Å; R40-S43 PolarHBondContact O-N 2.98Å; R40-S44 WeakPolarHBondContact O-CB 3Å; R40-S44 PolarHBondContact O-N 3.06Å; R40-S44 PolarHBondContact O-OG 3.37Å |
| 41 | Q | 87.3 | Confident | 78.2 | Confident | 93 Ų | 93 | 107.6 Ų | 107.6 | 44% | 0.435 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -59.3 | -54.7 | 176.8 | -173.5 | 176.4 | 48.3 | 0 | 0 | 111.2 | H37 L38 S43 S44 N45 | H37-Q41 WeakPolarHBondContact O-CB 3.47Å; H37-Q41 PolarHBondContact O-N 2.86Å; L38-Q41 PolarHBondContact O-N 3.18Å; Q41-S43 VanDerWaalsContact C-N 3.25Å; Q41-S43 PolarHBondContact O-N 3.5Å; Q41-S44 WeakPolarHBondContact CA-OG 3.36Å; Q41-S44 CarbonylContact O-C 3.55Å; Q41-S44 WeakPolarHBondContact O-CA 3.13Å; Q41-S44 PolarHBondContact O-N 3.29Å; Q41-S44 PolarHBondContact O-OG 3.18Å; Q41-N45 PolarHBondContact O-N 3.45Å; Q41-N45 PolarHBondContact O-OD1 3.04Å |
| 42 | N | 88.2 | Confident | 75.9 | Confident | 115 Ų | 115 | 107.8 Ų | 107.8 | 62% | 0.615 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -57.8 | -37.3 | 178.3 | -169.3 | 28.1 | 0 | 0 | 0 | 112.3 | L38 | L38-N42 VanDerWaalsContact O-CB 3.27Å; L38-N42 WeakPolarHBondContact O-CB 3.25Å; L38-N42 PolarHBondContact O-N 3.19Å |
| 43 | S | 80.6 | Confident | 73.6 | Confident | 84 Ų | 84 | 109 Ų | 109 | 59% | 0.587 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -72.6 | -27.1 | 174.8 | -49.3 | 0 | 0 | 0 | 0 | 113 | Q39 R40 Q41 | Q39-S43 PolarHBondContact NE2-OG 2.87Å; Q39-S43 WeakPolarHBondContact O-CB 3.4Å; Q39-S43 PolarHBondContact O-N 2.83Å; Q39-S43 PolarHBondContact O-OG 2.8Å; R40-S43 PolarHBondContact O-N 2.98Å; Q41-S43 VanDerWaalsContact C-N 3.25Å; Q41-S43 PolarHBondContact O-N 3.5Å |
| 44 | S | 71.9 | Confident | 72 | Confident | 69 Ų | 69 | 113.6 Ų | 113.6 | 48% | 0.483 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -83.9 | -21.6 | 176.5 | 72.1 | 0 | 0 | 0 | 0 | 114 | R40 Q41 G46 R47 | R40-S44 WeakPolarHBondContact O-CB 3Å; R40-S44 PolarHBondContact O-N 3.06Å; R40-S44 PolarHBondContact O-OG 3.37Å; Q41-S44 WeakPolarHBondContact CA-OG 3.36Å; Q41-S44 CarbonylContact O-C 3.55Å; Q41-S44 WeakPolarHBondContact O-CA 3.13Å; Q41-S44 PolarHBondContact O-N 3.29Å; Q41-S44 PolarHBondContact O-OG 3.18Å; S44-G46 PolarHBondContact O-N 3.32Å; S44-R47 PolarHBondContact O-N 3.2Å |
| 45 | N | 60.5 | Low | 69.7 | Low | 111 Ų | 111 | 116.2 Ų | 116.2 | 59% | 0.594 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.1 | -10 | -179.5 | -99.7 | 94.1 | 0 | 0 | 0 | 114.5 | Q41 R47 | Q41-N45 PolarHBondContact O-N 3.45Å; Q41-N45 PolarHBondContact O-OD1 3.04Å; N45-R47 VanDerWaalsContact C-N 3.32Å |
| 46 | G | 54.7 | Low | 67.2 | Low | 72 Ų | 72 | 114.1 Ų | 114.1 | 74% | 0.742 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | -4.1 | 168.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | S44 | S44-G46 PolarHBondContact O-N 3.32Š|
| 47 | R | 49.2 | Very low | 64.7 | Low | 236 Ų | 236 | 114.8 Ų | 114.8 | 89% | 0.891 | 67% | 0.671 | S | S | * | * | trans | -140.6 | 109.8 | 176.7 | -70.7 | -168 | 175.7 | -172.7 | -1.7 | 114.2 | S44 N45 | S44-R47 PolarHBondContact O-N 3.2Å; N45-R47 VanDerWaalsContact C-N 3.32Å | ||
| 48 | I | 56.8 | Low | 62.8 | Low | 154 Ų | 154 | 118.6 Ų | 118.6 | 79% | 0.79 | 69% | 0.693 | S | S | * | * | trans | -118.2 | 146.5 | 157.4 | -2.9 | 175.2 | 0 | 0 | 0 | 104.7 | ||||
| 49 | S | 47.9 | Very low | 60.7 | Low | 106 Ų | 106 | 120.9 Ų | 120.9 | 74% | 0.741 | 72% | 0.716 | S | S | * | * | cis | -139.8 | -142 | 21.2 | -49.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 50 | P | 64.3 | Low | 58.5 | Low | 111 Ų | 111 | 124 Ų | 124 | 72% | 0.721 | 73% | 0.73 | S | S | * | * | trans | -115.4 | -162.8 | -144.3 | 40.7 | -20.2 | 0 | 0 | 0 | 113.5 | ||||
| 51 | P | 50.8 | Low | 56.2 | Low | 122 Ų | 122 | 121.9 Ų | 121.9 | 79% | 0.792 | 74% | 0.74 | S | S | * | * | trans | -123.6 | 148.4 | 130.6 | 36.2 | -30.9 | 0 | 0 | 0 | 112.8 | ||||
| 52 | A | 44.4 | Very low | 54.2 | Low | 96 Ų | 96 | 125.1 Ų | 125.1 | 79% | 0.793 | 76% | 0.76 | S | S | * | * | trans | -127.5 | 137.4 | 162.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 53 | T | 46.3 | Very low | 52.4 | Low | 132 Ų | 132 | 125.1 Ų | 125.1 | 81% | 0.81 | 77% | 0.766 | S | S | * | * | trans | -154 | 143.5 | 177.3 | -30.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 54 | S | 61.9 | Low | 50.4 | Low | 109 Ų | 109 | 126.5 Ų | 126.5 | 76% | 0.762 | 77% | 0.771 | S | S | * | * | trans | -160.5 | 164.9 | -179.1 | -66.8 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 55 | V | 46.1 | Very low | 48.8 | Very low | 137 Ų | 137 | 131 Ų | 131 | 83% | 0.83 | 78% | 0.784 | S | S | * | * | cis | -104.2 | -168.5 | 11 | -83.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 56 | S | 40.4 | Very low | 47.6 | Very low | 113 Ų | 113 | 131 Ų | 131 | 79% | 0.79 | 79% | 0.791 | S | S | * | * | cis | -158.5 | 171 | 37.3 | -64.8 | 0 | 0 | 0 | 0 | 116 | ||||
| 57 | S | 43.4 | Very low | 46.7 | Very low | 102 Ų | 102 | 132.9 Ų | 132.9 | 71% | 0.713 | 79% | 0.789 | S | S | * | * | trans | -59.3 | 147.6 | -178 | -54 | 0 | 0 | 0 | 0 | 119 | ||||
| 58 | L | 51.8 | Low | 46 | Very low | 165 Ų | 165 | 129.9 Ų | 129.9 | 86% | 0.864 | 79% | 0.79 | S | S | * | * | trans | 53.1 | 116.6 | 131.9 | -58.2 | 170.1 | 0 | 0 | 0 | 120.4 | ||||
| 59 | S | 48.5 | Very low | 44.7 | Very low | 130 Ų | 130 | 125.9 Ų | 125.9 | 91% | 0.909 | 79% | 0.788 | S | S | * | * | -175.8 | 172.4 | 111 | 37.4 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 60 | E | 45.3 | Very low | 44 | Very low | 183 Ų | 183 | 126.7 Ų | 126.7 | 86% | 0.855 | 79% | 0.793 | S | S | * | * | trans | -99.8 | 144.1 | -165.8 | -179 | 173.9 | 110.2 | 0 | 0 | 112.9 | ||||
| 61 | S | 39 | Very low | 42.8 | Very low | 119 Ų | 119 | 127.3 Ų | 127.3 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | trans | 159 | 157.2 | 137.8 | 50.6 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 62 | L | 47 | Very low | 42.6 | Very low | 161 Ų | 161 | 127.1 Ų | 127.1 | 84% | 0.843 | 79% | 0.793 | S | S | * | * | trans | -85.3 | 158.3 | 175.5 | -59.5 | 168.6 | 0 | 0 | 0 | 110 | ||||
| 63 | P | 49.4 | Very low | 42.1 | Very low | 116 Ų | 116 | 131.4 Ų | 131.4 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | -153.5 | 145.2 | 69.7 | 45.6 | -25.2 | 0 | 0 | 0 | 116.8 | |||||
| 64 | V | 39.3 | Very low | 41.6 | Very low | 112 Ų | 112 | 129.3 Ų | 129.3 | 68% | 0.679 | 79% | 0.793 | S | S | * | * | 88.5 | 118.6 | 89.8 | 173.7 | 0 | 0 | 0 | 0 | 117.5 | |||||
| 65 | Q | 38.6 | Very low | 40.3 | Very low | 164 Ų | 164 | 132.6 Ų | 132.6 | 77% | 0.766 | 80% | 0.796 | S | S | * | * | trans | 66.1 | 165.6 | 156.3 | -69.5 | 177.9 | 114.2 | 0 | 0 | 118.6 | ||||
| 66 | C | 34.2 | Very low | 39.9 | Very low | 110 Ų | 110 | 131.2 Ų | 131.2 | 74% | 0.743 | 79% | 0.793 | S | S | * | * | cis | -137.3 | 127.8 | 15.1 | -38.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 67 | T | 36 | Very low | 39.5 | Very low | 112 Ų | 112 | 131.1 Ų | 131.1 | 69% | 0.687 | 79% | 0.788 | S | S | * | * | 68.6 | 117.6 | 99.4 | 68.7 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 68 | D | 34 | Very low | 39.3 | Very low | 173 Ų | 173 | 134.1 Ų | 134.1 | 93% | 0.925 | 80% | 0.795 | S | S | * | * | trans | 19.1 | 150.9 | 141.3 | -95.9 | -79.5 | 0 | 0 | 0 | 124.8 | ||||
| 69 | G | 30.7 | Very low | 38.4 | Very low | 71 Ų | 71 | 132.3 Ų | 132.3 | 73% | 0.732 | 79% | 0.786 | S | S | * | * | trans | 172.8 | 62.2 | 169.2 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 70 | S | 31.8 | Very low | 38.2 | Very low | 123 Ų | 123 | 131.5 Ų | 131.5 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | trans | 73.6 | 148.6 | 153.4 | -158.4 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 71 | V | 39.1 | Very low | 38 | Very low | 124 Ų | 124 | 128.7 Ų | 128.7 | 75% | 0.752 | 78% | 0.776 | S | S | * | * | trans | -85.1 | 166.6 | 166.2 | -134.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 72 | P | 48.1 | Very low | 38.1 | Very low | 117 Ų | 117 | 129 Ų | 129 | 76% | 0.76 | 78% | 0.778 | S | S | * | * | -154.2 | 156.9 | 75 | 41 | -20.5 | 0 | 0 | 0 | 119.6 | |||||
| 73 | E | 33.3 | Very low | 37.9 | Very low | 186 Ų | 186 | 127.1 Ų | 127.1 | 87% | 0.869 | 78% | 0.778 | S | S | * | * | trans | 55.4 | 155.2 | 133.3 | -153.9 | 156 | 103.6 | 0 | 0 | 125 | ||||
| 74 | A | 35.1 | Very low | 37.5 | Very low | 89 Ų | 89 | 127.1 Ų | 127.1 | 74% | 0.736 | 78% | 0.781 | S | S | * | * | trans | 70.2 | 152.9 | 161 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 75 | Q | 35.2 | Very low | 37.9 | Very low | 177 Ų | 177 | 129.9 Ų | 129.9 | 83% | 0.827 | 79% | 0.789 | S | S | * | * | cis | -167.9 | 152.9 | -36.6 | -136 | -177.5 | 17.6 | 0 | 0 | 110.5 | ||||
| 76 | S | 37.8 | Very low | 38.7 | Very low | 109 Ų | 109 | 130.5 Ų | 130.5 | 76% | 0.762 | 79% | 0.792 | S | S | * | * | trans | 65.9 | 166.8 | 161.9 | 79.3 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 77 | T | 31.9 | Very low | 39.1 | Very low | 110 Ų | 110 | 131.2 Ų | 131.2 | 68% | 0.675 | 80% | 0.795 | S | S | * | * | cis | -146.5 | 143.7 | 7.6 | 35.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 78 | L | 40.1 | Very low | 39.5 | Very low | 165 Ų | 165 | 131.6 Ų | 131.6 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | trans | 59.8 | 157.7 | 147.9 | -58.3 | 164.4 | 0 | 0 | 0 | 119.4 | ||||
| 79 | D | 31.3 | Very low | 40 | Very low | 128 Ų | 128 | 128.9 Ų | 128.9 | 68% | 0.684 | 80% | 0.797 | S | S | * | * | cis | -164 | 143.9 | -34.2 | 177 | -104.3 | 0 | 0 | 0 | 108.3 | ||||
| 80 | S | 45.5 | Very low | 40.3 | Very low | 113 Ų | 113 | 132.8 Ų | 132.8 | 79% | 0.79 | 81% | 0.806 | S | S | * | * | trans | 174.5 | 131.8 | 148.2 | -85.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 81 | T | 40 | Very low | 41.2 | Very low | 124 Ų | 124 | 131.7 Ų | 131.7 | 76% | 0.761 | 80% | 0.798 | S | S | * | * | trans | -77.1 | 148.9 | -179.4 | 54.5 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 82 | S | 41.9 | Very low | 41.7 | Very low | 124 Ų | 124 | 131.8 Ų | 131.8 | 87% | 0.867 | 80% | 0.795 | S | S | * | * | trans | -149.7 | 104.8 | 156.1 | -79.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 83 | S | 42.9 | Very low | 41.9 | Very low | 122 Ų | 122 | 134.9 Ų | 134.9 | 85% | 0.853 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 125 | -179.2 | -58.2 | 0 | 0 | 0 | 0 | 111.4 | ||
| 84 | S | 41.3 | Very low | 42.7 | Very low | 117 Ų | 117 | 130.3 Ų | 130.3 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 156.2 | 174.4 | -165.1 | 0 | 0 | 0 | 0 | 112 | ||
| 85 | M | 47.4 | Very low | 43.2 | Very low | 170 Ų | 170 | 132.9 Ų | 132.9 | 84% | 0.837 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 157.2 | -174.1 | -53.1 | -172.7 | 86.8 | 0 | 0 | 112.6 | ||
| 86 | Q | 54 | Low | 44 | Very low | 177 Ų | 177 | 131.8 Ų | 131.8 | 83% | 0.827 | 79% | 0.787 | S | S | * | * | trans | -130.1 | 132.2 | 170.5 | -71.3 | -66.3 | -82.5 | 0 | 0 | 110.2 | ||||
| 87 | P | 44.3 | Very low | 44.1 | Very low | 124 Ų | 124 | 132.4 Ų | 132.4 | 81% | 0.805 | 79% | 0.791 | S | S | * | * | trans | -90.3 | 134.8 | 169 | 34.3 | -30 | 0 | 0 | 0 | 110.6 | ||||
| 88 | S | 43.9 | Very low | 44.9 | Very low | 121 Ų | 121 | 135.6 Ų | 135.6 | 85% | 0.846 | 80% | 0.799 | S | S | * | * | trans | -118.9 | 114.2 | 177.7 | 57.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 89 | S | 43.9 | Very low | 45.3 | Very low | 116 Ų | 116 | 132.8 Ų | 132.8 | 81% | 0.811 | 79% | 0.793 | S | S | * | * | trans | -97.1 | 141.7 | 163.4 | 50.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 90 | V | 38.2 | Very low | 45.8 | Very low | 152 Ų | 152 | 133 Ų | 133 | 92% | 0.921 | 80% | 0.799 | S | S | * | * | trans | -149.2 | 158.2 | 162.9 | -81.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 91 | S | 49.2 | Very low | 45.4 | Very low | 100 Ų | 100 | 132 Ų | 132 | 70% | 0.699 | 80% | 0.797 | S | S | * | * | trans | -150.7 | 160.7 | -175.6 | -160.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 92 | N | 51 | Low | 45.2 | Very low | 127 Ų | 127 | 131.5 Ų | 131.5 | 68% | 0.679 | 80% | 0.799 | S | S | * | * | trans | 88.2 | 123.5 | 154.6 | -57.7 | -19.4 | 0 | 0 | 0 | 121.4 | ||||
| 93 | Q | 51.6 | Low | 45.1 | Very low | 182 Ų | 182 | 131.8 Ų | 131.8 | 85% | 0.85 | 80% | 0.801 | S | S | * | * | trans | 73.9 | 155.5 | 136.8 | -68.5 | 179.1 | 128 | 0 | 0 | 119.4 | ||||
| 94 | S | 51 | Low | 45.3 | Very low | 89 Ų | 89 | 134.7 Ų | 134.7 | 62% | 0.622 | 80% | 0.801 | S | S | * | * | cis | -170.5 | 156.3 | -20.6 | -172.6 | 0 | 0 | 0 | 0 | 107 | ||||
| 95 | L | 44.2 | Very low | 45.2 | Very low | 144 Ų | 144 | 137.8 Ų | 137.8 | 75% | 0.754 | 81% | 0.807 | S | S | * | * | 175.7 | 143.4 | 82.4 | -82.7 | 166.5 | 0 | 0 | 0 | 112.8 | |||||
| 96 | L | 53.5 | Low | 44.7 | Very low | 154 Ų | 154 | 136.6 Ų | 136.6 | 81% | 0.806 | 80% | 0.804 | S | S | * | * | trans | 31.2 | 132.8 | 139.8 | -50.2 | 178.4 | 0 | 0 | 0 | 124.8 | ||||
| 97 | S | 39.6 | Very low | 44 | Very low | 121 Ų | 121 | 132.7 Ų | 132.7 | 85% | 0.846 | 80% | 0.796 | S | S | * | * | trans | -165.9 | 152 | 131.1 | 60.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 98 | E | 47.8 | Very low | 43.4 | Very low | 177 Ų | 177 | 132.5 Ų | 132.5 | 83% | 0.827 | 79% | 0.793 | S | S | * | * | trans | -122.6 | 153.6 | -166.8 | -62.1 | 170 | 71.2 | 0 | 0 | 115.9 | ||||
| 99 | S | 48.4 | Very low | 43.3 | Very low | 107 Ų | 107 | 131.8 Ų | 131.8 | 75% | 0.748 | 79% | 0.788 | S | S | * | * | trans | 178.3 | 133.2 | 143.7 | 47.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 100 | V | 41.4 | Very low | 42.8 | Very low | 132 Ų | 132 | 133.2 Ų | 133.2 | 80% | 0.8 | 79% | 0.792 | S | S | * | * | cis | 91.2 | 147.4 | 29.5 | -45.4 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 101 | A | 37.5 | Very low | 42.8 | Very low | 91 Ų | 91 | 133.1 Ų | 133.1 | 75% | 0.752 | 79% | 0.786 | S | S | * | * | trans | 70.2 | 118.7 | -164.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 102 | S | 35.5 | Very low | 42.2 | Very low | 115 Ų | 115 | 137.4 Ų | 137.4 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | cis | 90.4 | 111 | 29 | -56.4 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 103 | S | 40.5 | Very low | 41.3 | Very low | 130 Ų | 130 | 135.5 Ų | 135.5 | 91% | 0.909 | 79% | 0.794 | S | S | * | * | trans | -144.2 | 117 | 148.2 | -81.7 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 104 | Q | 46.3 | Very low | 40.6 | Very low | 182 Ų | 182 | 132.6 Ų | 132.6 | 85% | 0.85 | 79% | 0.789 | S | S | * | * | trans | -92.8 | 150.5 | 169.3 | -58.1 | 170.1 | 6.4 | 0 | 0 | 108.7 | ||||
| 105 | L | 39.1 | Very low | 40.2 | Very low | 183 Ų | 183 | 134.1 Ų | 134.1 | 96% | 0.958 | 80% | 0.796 | S | S | * | * | trans | -143.7 | 134.4 | 139.6 | -78.2 | -174 | 0 | 0 | 0 | 109.2 | ||||
| 106 | D | 37.4 | Very low | 40 | Very low | 144 Ų | 144 | 135.1 Ų | 135.1 | 77% | 0.77 | 80% | 0.797 | S | S | * | * | trans | -95.6 | 151 | 171.1 | 169.3 | 81.6 | 0 | 0 | 0 | 109.5 | ||||
| 107 | S | 39.4 | Very low | 39.1 | Very low | 95 Ų | 95 | 133.6 Ų | 133.6 | 66% | 0.664 | 79% | 0.794 | S | S | * | * | trans | 175.3 | 129.4 | 140.5 | -84 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 108 | T | 31.9 | Very low | 39.2 | Very low | 120 Ų | 120 | 136.6 Ų | 136.6 | 74% | 0.736 | 80% | 0.795 | S | S | * | * | trans | 52.3 | 107.2 | 138.4 | 65.7 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 109 | S | 42.8 | Very low | 38.4 | Very low | 106 Ų | 106 | 135.7 Ų | 135.7 | 74% | 0.741 | 80% | 0.796 | S | S | * | * | 26.1 | 122.7 | 112.7 | 168.3 | 0 | 0 | 0 | 0 | 120 | |||||
| 110 | V | 33.1 | Very low | 38.2 | Very low | 147 Ų | 147 | 137 Ų | 137 | 89% | 0.891 | 79% | 0.794 | S | S | * | * | -167.2 | 171.6 | 108.6 | -89.8 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 111 | D | 37.3 | Very low | 38.3 | Very low | 149 Ų | 149 | 139.5 Ų | 139.5 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | trans | -99.3 | 162.7 | -177.5 | -160.8 | -72.4 | 0 | 0 | 0 | 112.7 | ||||
| 112 | K | 36.8 | Very low | 38.2 | Very low | 190 Ų | 190 | 139.5 Ų | 139.5 | 83% | 0.826 | 80% | 0.797 | S | S | * | * | trans | 87.6 | 145.8 | 149.3 | -141.1 | 171.4 | -178.8 | 177.9 | 0 | 122 | ||||
| 113 | A | 32.3 | Very low | 38.5 | Very low | 88 Ų | 88 | 139.3 Ų | 139.3 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | trans | 94.2 | 93.7 | 152 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 114 | V | 37.1 | Very low | 38.4 | Very low | 121 Ų | 121 | 139.4 Ų | 139.4 | 73% | 0.733 | 79% | 0.79 | S | S | * | * | trans | -14.8 | 135 | 133.5 | 172.9 | 0 | 0 | 0 | 0 | 116 | E116 | V114-E116 HydrophobicContact CG1-CB 3.89Š| ||
| 115 | P | 42.8 | Very low | 37.8 | Very low | 120 Ų | 120 | 136.2 Ų | 136.2 | 78% | 0.779 | 79% | 0.788 | S | S | * | * | -123 | 155.5 | 83.7 | 38.2 | -32 | 0 | 0 | 0 | 113.5 | |||||
| 116 | E | 39.4 | Very low | 37.9 | Very low | 166 Ų | 166 | 134.3 Ų | 134.3 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | cis | 89.2 | 107.1 | 24 | -164.5 | 176.3 | 170.4 | 0 | 0 | 116.1 | V114 | V114-E116 HydrophobicContact CG1-CB 3.89Š| ||
| 117 | T | 34.2 | Very low | 38.4 | Very low | 121 Ų | 121 | 133.8 Ų | 133.8 | 74% | 0.742 | 78% | 0.781 | S | S | * | * | trans | -153.9 | 116.5 | 160 | 52.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 118 | E | 42.3 | Very low | 38.5 | Very low | 184 Ų | 184 | 133 Ų | 133 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | trans | 52.4 | 138.1 | 134.4 | -61.2 | 176.3 | 141.8 | 0 | 0 | 120.9 | ||||
| 119 | D | 30.6 | Very low | 38.7 | Very low | 158 Ų | 158 | 136.5 Ų | 136.5 | 85% | 0.845 | 79% | 0.788 | S | S | * | * | cis | -160.6 | 171.8 | -6 | 179.3 | -132.1 | 0 | 0 | 0 | 110.7 | ||||
| 120 | L | 45.5 | Very low | 38.6 | Very low | 135 Ų | 135 | 140.2 Ų | 140.2 | 71% | 0.707 | 79% | 0.794 | S | S | * | * | trans | -125.8 | 131.2 | -171.3 | -74.9 | 169.3 | 0 | 0 | 0 | 116.2 | ||||
| 121 | Q | 42 | Very low | 39.5 | Very low | 184 Ų | 184 | 138.4 Ų | 138.4 | 86% | 0.86 | 79% | 0.785 | S | S | * | * | trans | 59 | 126.7 | 144.8 | -64.5 | -175.6 | -110.5 | 0 | 0 | 122.8 | ||||
| 122 | A | 35.8 | Very low | 39.3 | Very low | 92 Ų | 92 | 136.2 Ų | 136.2 | 76% | 0.76 | 78% | 0.782 | S | S | * | * | trans | -139 | 141.6 | 137.9 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 123 | S | 43.2 | Very low | 39.6 | Very low | 110 Ų | 110 | 136.4 Ų | 136.4 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | cis | 74.8 | 133.3 | 33.3 | -150.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 124 | V | 37.8 | Very low | 40.2 | Very low | 133 Ų | 133 | 141.2 Ų | 141.2 | 81% | 0.806 | 79% | 0.793 | S | S | * | * | cis | -117.1 | -162.9 | 6.7 | -70.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 125 | S | 34.3 | Very low | 40.6 | Very low | 114 Ų | 114 | 144.2 Ų | 144.2 | 80% | 0.797 | 80% | 0.799 | S | S | * | * | cis | -159.3 | 178.9 | 6 | -161.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 126 | D | 39.7 | Very low | 41 | Very low | 144 Ų | 144 | 143.7 Ų | 143.7 | 77% | 0.77 | 80% | 0.798 | S | S | * | * | trans | -138.9 | -174.7 | 171 | -166.9 | -90.3 | 0 | 0 | 0 | 111.1 | ||||
| 127 | T | 48.1 | Very low | 41.2 | Very low | 133 Ų | 133 | 146 Ų | 146 | 82% | 0.816 | 81% | 0.806 | S | S | * | * | trans | 106.4 | 124.8 | 177.2 | -51.5 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 128 | A | 42.2 | Very low | 41.8 | Very low | 79 Ų | 79 | 145.8 Ų | 145.8 | 65% | 0.653 | 81% | 0.809 | S | S | * | * | cis | -147 | -176.6 | -7.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 129 | Q | 35.5 | Very low | 42.6 | Very low | 193 Ų | 193 | 144.3 Ų | 144.3 | 90% | 0.902 | 81% | 0.806 | S | S | * | * | cis | -162 | 170.4 | 26.5 | -149.5 | 155.4 | -25.6 | 0 | 0 | 110.7 | ||||
| 130 | Q | 42 | Very low | 44 | Very low | 183 Ų | 183 | 145.9 Ų | 145.9 | 86% | 0.855 | 81% | 0.809 | S | S | * | * | trans | -89.7 | -173.4 | -172.4 | -36.4 | 175.9 | -80.7 | 0 | 0 | 113.4 | ||||
| 131 | P | 50.5 | Low | 44.7 | Very low | 110 Ų | 110 | 148.5 Ų | 148.5 | 71% | 0.714 | 81% | 0.814 | S | S | * | * | cis | -137.8 | -161.9 | -8.3 | 40.5 | -20.3 | 0 | 0 | 0 | 115.1 | ||||
| 132 | S | 32.8 | Very low | 45.9 | Very low | 103 Ų | 103 | 145.4 Ų | 145.4 | 72% | 0.72 | 81% | 0.81 | S | S | * | * | trans | 96 | 117.4 | 151 | 70.4 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 133 | E | 43.4 | Very low | 47.1 | Very low | 194 Ų | 194 | 151 Ų | 151 | 91% | 0.907 | 82% | 0.818 | S | S | * | * | trans | 62.6 | 179.8 | 135.2 | -57.9 | -166.6 | 146.8 | 0 | 0 | 122.2 | ||||
| 134 | E | 45.1 | Very low | 48.2 | Very low | 188 Ų | 188 | 154.9 Ų | 154.9 | 88% | 0.879 | 82% | 0.823 | S | S | * | * | trans | -67.9 | 133.2 | -150.3 | -57.6 | -173.9 | 89.7 | 0 | 0 | 115.8 | ||||
| 135 | Q | 45.4 | Very low | 49.7 | Very low | 184 Ų | 184 | 156.9 Ų | 156.9 | 86% | 0.86 | 82% | 0.821 | S | S | * | * | -165.5 | 154.1 | 120.9 | -111.4 | 174.7 | 26.4 | 0 | 0 | 115.9 | |||||
| 136 | S | 51.6 | Low | 51.5 | Low | 110 Ų | 110 | 160.7 Ų | 160.7 | 77% | 0.769 | 82% | 0.823 | S | S | * | * | trans | -30.8 | 131.8 | 170.8 | 52.5 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 137 | K | 42.9 | Very low | 53.8 | Low | 214 Ų | 214 | 157.4 Ų | 157.4 | 93% | 0.93 | 81% | 0.806 | S | S | * | * | trans | -110.2 | 133.5 | 159 | -88 | 179.1 | 175.2 | 171.9 | 0 | 111.9 | ||||
| 138 | S | 47.5 | Very low | 56 | Low | 116 Ų | 116 | 158.3 Ų | 158.3 | 81% | 0.811 | 79% | 0.794 | S | S | * | * | trans | -77.5 | 155.7 | -168.1 | -171.7 | 0 | 0 | 0 | 0 | 113.6 | E140 | S138-E140 PolarHBondContact O-N 2.84Š| ||
| 139 | L | 58.1 | Low | 58.5 | Low | 153 Ų | 153 | 154.7 Ų | 154.7 | 80% | 0.801 | 76% | 0.764 | S | S | * | * | trans | -68.2 | 110.5 | 174.4 | -64 | 165.6 | 0 | 0 | 0 | 111 | K141 | L139-K141 PolarHBondContact O-N 2.94Š| ||
| 140 | E | 61.5 | Low | 61.3 | Low | 192 Ų | 192 | 151.6 Ų | 151.6 | 90% | 0.897 | 75% | 0.748 | S | S | * | * | trans | -66.9 | 113.9 | 168.2 | -76.7 | -139.1 | 105 | 0 | 0 | 110.8 | S138 | S138-E140 PolarHBondContact O-N 2.84Š| ||
| 141 | K | 59.5 | Low | 63.8 | Low | 189 Ų | 189 | 146.5 Ų | 146.5 | 82% | 0.822 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -83 | 124.1 | 176.4 | -72.1 | 175.4 | 179.4 | 170.8 | 0 | 110 | L139 K143 | L139-K141 PolarHBondContact O-N 2.94Å; K141-K143 PolarHBondContact O-N 2.65Å |
| 142 | P | 67.5 | Low | 66 | Low | 119 Ų | 119 | 144 Ų | 144 | 77% | 0.773 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 135.9 | 177.5 | -27.7 | 35.4 | 0 | 0 | 0 | 112.6 | Q144 | P142-Q144 PolarHBondContact O-N 3.24Å; P142-Q144 VanDerWaalsContact O-N 3.12Å |
| 143 | K | 61.3 | Low | 68.8 | Low | 211 Ų | 211 | 147.5 Ų | 147.5 | 92% | 0.917 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 117.4 | -179.6 | -71.9 | 174.2 | -179.8 | 168.5 | 0 | 110.2 | K141 K145 | K141-K143 PolarHBondContact O-N 2.65Å; K143-K145 PolarHBondContact O-N 3.43Å; K143-K145 VanDerWaalsContact O-N 3.16Å |
| 144 | Q | 66.3 | Low | 71.2 | Confident | 191 Ų | 191 | 144.9 Ų | 144.9 | 89% | 0.893 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 117.2 | -171.7 | -67 | -175.4 | -3.1 | 0 | 0 | 111.5 | P142 K146 | P142-Q144 PolarHBondContact O-N 3.24Å; P142-Q144 VanDerWaalsContact O-N 3.12Å; Q144-K146 PolarHBondContact O-N 2.84Å |
| 145 | K | 68.6 | Low | 73.6 | Confident | 174 Ų | 174 | 144.4 Ų | 144.4 | 76% | 0.757 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 132.4 | 177 | 34.4 | 179.5 | 172.6 | 174.2 | 0 | 110.7 | K143 N147 | K143-K145 PolarHBondContact O-N 3.43Å; K143-K145 VanDerWaalsContact O-N 3.16Å; K145-N147 PolarHBondContact O-N 2.93Å; K145-N147 PolarHBondContact O-OD1 2.94Å |
| 146 | K | 72.2 | Confident | 75.9 | Confident | 194 Ų | 194 | 136.4 Ų | 136.4 | 84% | 0.843 | 65% | 0.651 | S | S | * | * | trans | -73.1 | 93.8 | -170 | 51.5 | -169.5 | 173.1 | -171.3 | 0 | 112.1 | Q144 R148 | Q144-K146 PolarHBondContact O-N 2.84Å; K146-R148 PolarHBondContact O-N 3.16Å | ||
| 147 | N | 88.3 | Confident | 77.6 | Confident | 76 Ų | 76 | 132.5 Ų | 132.5 | 41% | 0.406 | 63% | 0.629 | S | S | . | * | trans | -60.9 | 86 | -176.8 | -66.9 | -24.7 | 0 | 0 | 0 | 113.6 | K145 V156 G157 | K145-N147 PolarHBondContact O-N 2.93Å; K145-N147 PolarHBondContact O-OD1 2.94Å; N147-V156 HydrophobicContact CB-CG2 4.16Å; N147-V156 PolarHBondContact O-N 3.29Å; N147-G157 WeakPolarHBondContact CB-O 3.42Å; N147-G157 PolarHBondContact ND2-O 3.12Å | ||
| 148 | R | 93.9 | Very high | 79.6 | Confident | 152 Ų | 152 | 130.7 Ų | 130.7 | 57% | 0.574 | 63% | 0.628 | S | S | * | * | B | Isolated β-bridge | trans | -138.9 | 137.5 | -176.1 | -151.1 | 173.7 | -169.4 | -162.1 | -8.8 | 109.3 | K146 F150 R153 K154 | K146-R148 PolarHBondContact O-N 3.16Å; R148-F150 PolarHBondContact O-N 3.45Å; R148-R153 WeakPolarHBondContact CG-O 3.37Å; R148-R153 PolarHBondContact NE-O 3.27Å; R148-R153 PolarHBondContact NH2-O 3.44Å; R148-K154 CarbonylContact C-O 3.52Å; R148-K154 WeakPolarHBondContact CA-O 3.2Å; R148-K154 WeakPolarHBondContact CG-O 3.45Å |
| 149 | C | 95.1 | Very high | 81.6 | Confident | 2 Ų | 2 | 130.1 Ų | 130.1 | 1% | 0.014 | 62% | 0.62 | C | S | . | * | trans | -62.9 | 131.3 | 179.9 | 172.5 | 0 | 0 | 0 | 0 | 111.2 | M151 R153 K154 V156 V168 C170 | C149-M151 PolarHBondContact O-N 2.83Å; C149-R153 WeakPolarHBondContact O-CA 3Å; C149-R153 PolarHBondContact O-N 3.08Å; C149-K154 PolarHBondContact N-O 3.15Å; C149-V156 HydrophobicContact CB-CG1 3.9Å; C149-V168 CarbonylContact C-O 3.59Å; C149-V168 WeakPolarHBondContact CA-O 3.32Å; C149-C170 HydrophobicContact CB-CB 4.17Å | ||
| 150 | F | 94.4 | Very high | 83.2 | Confident | 129 Ų | 129 | 123.9 Ų | 123.9 | 57% | 0.566 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.1 | -45.8 | -176.6 | -173 | -101.7 | 0 | 0 | 0 | 113.4 | R148 N167 V168 Y169 | R148-F150 PolarHBondContact O-N 3.45Å; F150-N167 HydrophobicContact CB-CB 4.02Å; F150-N167 HydrophobicContact CD2-CB 4.39Å; F150-N167 WeakPolarHBondContact CD2-OD1 3.39Å; F150-N167 HydrophobicContact CG-CB 4.11Å; F150-V168 PolarHBondContact N-O 2.94Å; F150-Y169 HydrophobicContact CB-CD1 4.34Å; F150-Y169 HydrophobicContact CB-CE1 3.77Å; F150-Y169 HydrophobicContact CD1-CE1 4.4Å |
| 151 | M | 94.8 | Very high | 84.8 | Confident | 76 Ų | 76 | 117.7 Ų | 117.7 | 37% | 0.374 | 56% | 0.563 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69 | -81.7 | 175.4 | -71.5 | 172.5 | 75.4 | 0 | 0 | 112.7 | C149 R153 Y169 H173 V178 H179 | C149-M151 PolarHBondContact O-N 2.83Å; M151-R153 PolarHBondContact O-N 3.33Å; M151-Y169 HydrophobicContact CG-CD1 4.44Å; M151-Y169 HydrophobicContact CG-CE1 4.09Å; M151-Y169 HydrophobicContact SD-CE1 4.5Å; M151-H173 WeakPolarHBondContact CE-CD2 3.42Å; M151-H173 HydrophobicContact SD-CB 3.75Å; M151-H173 PolarHBondContact SD-CD2 3.2Å; M151-V178 WeakPolarHBondContact CE-O 3.2Å; M151-H179 HydrophobicContact CG-CB 4.01Å; M151-H179 VanDerWaalsContact SD-CA 3.52Å; M151-H179 HydrophobicContact SD-CB 3.36Å; M151-H179 WeakPolarHBondContact SD-CB 3.48Å |
| 152 | C | 95.2 | Very high | 86.5 | Confident | 58 Ų | 58 | 116.6 Ų | 116.6 | 39% | 0.392 | 56% | 0.561 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.7 | -0.7 | -166.7 | 67.9 | 0 | 0 | 0 | 0 | 114.5 | K154 H173 | C152-K154 PolarHBondContact O-N 2.78Å; C152-H173 VanDerWaalsContact SG-CE1 3.57Å; C152-H173 PolarHBondContact SG-ND1 3.07Å; C152-H173 VanDerWaalsContact SG-ND1 3.37Å |
| 153 | R | 92.8 | Very high | 87.8 | Confident | 175 Ų | 175 | 111.7 Ų | 111.7 | 66% | 0.66 | 53% | 0.529 | S | S | * | . | trans | 52 | 28.5 | -178 | -54.9 | 177.9 | -177.1 | -179.9 | 0.1 | 113.2 | R148 C149 M151 | R148-R153 WeakPolarHBondContact CG-O 3.37Å; R148-R153 PolarHBondContact NE-O 3.27Å; R148-R153 PolarHBondContact NH2-O 3.44Å; C149-R153 WeakPolarHBondContact O-CA 3Å; C149-R153 PolarHBondContact O-N 3.08Å; M151-R153 PolarHBondContact O-N 3.33Å | ||
| 154 | K | 94.4 | Very high | 89.3 | Confident | 139 Ų | 139 | 108.1 Ų | 108.1 | 60% | 0.604 | 51% | 0.51 | S | S | * | . | trans | -72 | 138 | 167.4 | -169.8 | 168 | -70.9 | -170.6 | 0 | 109.4 | R148 C149 C152 V156 | R148-K154 CarbonylContact C-O 3.52Å; R148-K154 WeakPolarHBondContact CA-O 3.2Å; R148-K154 WeakPolarHBondContact CG-O 3.45Å; C149-K154 PolarHBondContact N-O 3.15Å; C152-K154 PolarHBondContact O-N 2.78Å; K154-V156 PolarHBondContact O-N 3.26Å | ||
| 155 | K | 94.3 | Very high | 90.6 | Very high | 178 Ų | 178 | 100.3 Ų | 100.3 | 77% | 0.774 | 48% | 0.476 | S | S | * | . | B | Isolated β-bridge | trans | -66.8 | 126.7 | 172.8 | -173.1 | -176.6 | -179.9 | -174.5 | 0 | 108 | ||
| 156 | V | 93.2 | Very high | 91.7 | Very high | 16 Ų | 16 | 95.4 Ų | 95.4 | 10% | 0.097 | 48% | 0.475 | C | S | . | . | trans | -105.7 | -17.3 | -175.5 | -63.1 | 0 | 0 | 0 | 0 | 113.8 | N147 C149 K154 L158 T159 V168 C170 | N147-V156 HydrophobicContact CB-CG2 4.16Å; N147-V156 PolarHBondContact O-N 3.29Å; C149-V156 HydrophobicContact CB-CG1 3.9Å; K154-V156 PolarHBondContact O-N 3.26Å; V156-L158 PolarHBondContact O-N 3.36Å; V156-T159 CarbonylContact O-C 3.52Å; V156-T159 PolarHBondContact O-N 3.17Å; V156-V168 HydrophobicContact CG2-CG1 4.02Å; V156-C170 HydrophobicContact CG1-CB 3.61Å | ||
| 157 | G | 88.2 | Confident | 92.8 | Very high | 29 Ų | 29 | 88.4 Ų | 88.4 | 30% | 0.299 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.2 | -131.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | N147 | N147-G157 WeakPolarHBondContact CB-O 3.42Å; N147-G157 PolarHBondContact ND2-O 3.12Å |
| 158 | L | 85.3 | Confident | 93.1 | Very high | 176 Ų | 176 | 86.9 Ų | 86.9 | 92% | 0.921 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -15.4 | 174.1 | -62.3 | 171.8 | 0 | 0 | 0 | 112.8 | V156 G160 | V156-L158 PolarHBondContact O-N 3.36Å; L158-G160 VanDerWaalsContact C-N 3.27Å; L158-G160 PolarHBondContact O-N 2.9Å |
| 159 | T | 88.6 | Confident | 93.2 | Very high | 103 Ų | 103 | 79.8 Ų | 79.8 | 63% | 0.632 | 41% | 0.413 | S | S | * | . | trans | -95.1 | 29.1 | -177.9 | -31.9 | 0 | 0 | 0 | 0 | 111.8 | V156 | V156-T159 CarbonylContact O-C 3.52Å; V156-T159 PolarHBondContact O-N 3.17Å | ||
| 160 | G | 93.2 | Very high | 93.2 | Very high | 23 Ų | 23 | 80.3 Ų | 80.3 | 24% | 0.237 | 42% | 0.417 | C | S | . | . | P | Polyproline II helix | trans | -80.5 | 129.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | L158 | L158-G160 VanDerWaalsContact C-N 3.27Å; L158-G160 PolarHBondContact O-N 2.9Å |
| 161 | F | 94.6 | Very high | 93.2 | Very high | 61 Ų | 61 | 76.2 Ų | 76.2 | 27% | 0.268 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 120.6 | 175.2 | -62.5 | -75.6 | 0 | 0 | 0 | 110 | V168 Y169 R174 | F161-V168 CarbonylContact O-C 3.59Å; F161-V168 WeakPolarHBondContact O-CA 3.43Å; F161-Y169 PolarHBondContact N-O 2.81Å; F161-Y169 PolarHBondContact O-N 3.48Å; F161-R174 HydrophobicContact CB-CB 4.26Å; F161-R174 HydrophobicContact CB-CG 3.73Å; F161-R174 HydrophobicContact CD1-CG 4.49Å; F161-R174 HydrophobicContact CD2-CB 4.2Å; F161-R174 HydrophobicContact CD2-CG 4.18Å; F161-R174 HydrophobicContact CG-CB 4.36Å; F161-R174 HydrophobicContact CG-CG 3.88Å |
| 162 | E | 93.9 | Very high | 93.2 | Very high | 166 Ų | 166 | 77.8 Ų | 77.8 | 78% | 0.776 | 42% | 0.424 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 134.4 | 172.4 | -57.1 | -177.3 | -98.5 | 0 | 0 | 109.7 | V168 | E162-V168 HydrophobicContact CG-CG2 4.43Å |
| 163 | C | 94.6 | Very high | 93.2 | Very high | 16 Ų | 16 | 76.9 Ų | 76.9 | 11% | 0.108 | 41% | 0.414 | C | S | . | . | trans | -107.5 | 156.4 | 170.5 | -169.3 | 0 | 0 | 0 | 0 | 110.8 | C165 G166 N167 Y169 H179 Y185 | C163-C165 PolarHBondContact O-N 3.06Å; C163-C165 VanDerWaalsContact O-N 3.1Å; C163-G166 PolarHBondContact O-N 3.42Å; C163-N167 PolarHBondContact N-O 2.86Å; C163-Y169 HydrophobicContact CB-CD2 3.87Å; C163-Y169 HydrophobicContact CB-CE2 3.62Å; C163-H179 PolarHBondContact SG-CE1 3.45Å; C163-H179 PolarHBondContact SG-NE2 3.16Å; C163-Y185 PolarHBondContact SG-OH 3.47Å | ||
| 164 | R | 93.3 | Very high | 93.4 | Very high | 137 Ų | 137 | 74.3 Ų | 74.3 | 52% | 0.517 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -16.1 | 178.8 | -58.1 | -173.2 | -176.4 | -171.8 | -0.2 | 114 | G166 Y183 Y185 D188 | R164-G166 PolarHBondContact O-N 3.17Å; R164-Y183 HydrophobicContact CB-CD1 3.68Å; R164-Y183 HydrophobicContact CB-CD2 3.69Å; R164-Y183 HydrophobicContact CB-CE1 3.88Å; R164-Y183 HydrophobicContact CB-CE2 3.89Å; R164-Y183 HydrophobicContact CB-CG 3.57Å; R164-Y183 HydrophobicContact CG-CD1 4.42Å; R164-Y183 HydrophobicContact CG-CE1 4.26Å; R164-Y183 PolarHBondContact NH1-OH 2.98Å; R164-Y183 WeakPolarHBondContact O-CD2 3.45Å; R164-Y185 HydrophobicContact CG-CE1 4.36Å; R164-D188 IonicContact CZ-OD2 2.69Å; R164-D188 IonicContact NH1-OD2 4Å; R164-D188 PolarHBondContact NH1-OD2 3.17Å |
| 165 | C | 94.1 | Very high | 93.4 | Very high | 27 Ų | 27 | 74.7 Ų | 74.7 | 18% | 0.182 | 40% | 0.403 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | 10.3 | 168.5 | 71.3 | 0 | 0 | 0 | 0 | 114.1 | C163 N167 | C163-C165 PolarHBondContact O-N 3.06Å; C163-C165 VanDerWaalsContact O-N 3.1Å; C165-N167 VanDerWaalsContact C-N 3.28Å; C165-N167 PolarHBondContact O-N 3.43Å |
| 166 | G | 92 | Very high | 93.3 | Very high | 70 Ų | 70 | 68.3 Ų | 68.3 | 72% | 0.722 | 38% | 0.381 | S | S | * | . | S | Bend | trans | 80.2 | -5.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | C163 R164 | C163-G166 PolarHBondContact O-N 3.42Å; R164-G166 PolarHBondContact O-N 3.17Å |
| 167 | N | 94.1 | Very high | 93.3 | Very high | 48 Ų | 48 | 73.2 Ų | 73.2 | 26% | 0.257 | 41% | 0.407 | S | S | . | . | trans | -94.4 | 154.1 | -178.8 | -80 | -40.1 | 0 | 0 | 0 | 112.7 | F150 C163 C165 Y169 | F150-N167 HydrophobicContact CB-CB 4.02Å; F150-N167 HydrophobicContact CD2-CB 4.39Å; F150-N167 WeakPolarHBondContact CD2-OD1 3.39Å; F150-N167 HydrophobicContact CG-CB 4.11Å; C163-N167 PolarHBondContact N-O 2.86Å; C165-N167 VanDerWaalsContact C-N 3.28Å; C165-N167 PolarHBondContact O-N 3.43Å; N167-Y169 HydrophobicContact CB-CD2 4.45Å; N167-Y169 HydrophobicContact CB-CE2 3.48Å; N167-Y169 VanDerWaalsContact CB-CE2 3.48Å; N167-Y169 VanDerWaalsContact CB-OH 3.32Å; N167-Y169 WeakPolarHBondContact CB-OH 3.31Å; N167-Y169 WeakPolarHBondContact O-CE2 3.39Å | ||
| 168 | V | 94.7 | Very high | 93.6 | Very high | 43 Ų | 43 | 74.7 Ų | 74.7 | 26% | 0.261 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 138 | 178 | -171.2 | 0 | 0 | 0 | 0 | 110.7 | C149 F150 V156 F161 E162 | C149-V168 CarbonylContact C-O 3.59Å; C149-V168 WeakPolarHBondContact CA-O 3.32Å; F150-V168 PolarHBondContact N-O 2.94Å; V156-V168 HydrophobicContact CG2-CG1 4.02Å; F161-V168 CarbonylContact O-C 3.59Å; F161-V168 WeakPolarHBondContact O-CA 3.43Å; E162-V168 HydrophobicContact CG-CG2 4.43Å |
| 169 | Y | 96.2 | Very high | 94 | Very high | 4 Ų | 4 | 67 Ų | 67 | 2% | 0.016 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 160.9 | -174.5 | -59.8 | -87.1 | 0 | 0 | 0 | 112.7 | F150 M151 F161 C163 N167 H173 H179 | F150-Y169 HydrophobicContact CB-CD1 4.34Å; F150-Y169 HydrophobicContact CB-CE1 3.77Å; F150-Y169 HydrophobicContact CD1-CE1 4.4Å; M151-Y169 HydrophobicContact CG-CD1 4.44Å; M151-Y169 HydrophobicContact CG-CE1 4.09Å; M151-Y169 HydrophobicContact SD-CE1 4.5Å; F161-Y169 PolarHBondContact N-O 2.81Å; F161-Y169 PolarHBondContact O-N 3.48Å; C163-Y169 HydrophobicContact CB-CD2 3.87Å; C163-Y169 HydrophobicContact CB-CE2 3.62Å; N167-Y169 HydrophobicContact CB-CD2 4.45Å; N167-Y169 HydrophobicContact CB-CE2 3.48Å; N167-Y169 VanDerWaalsContact CB-CE2 3.48Å; N167-Y169 VanDerWaalsContact CB-OH 3.32Å; N167-Y169 WeakPolarHBondContact CB-OH 3.31Å; N167-Y169 WeakPolarHBondContact O-CE2 3.39Å; Y169-H173 VanDerWaalsContact CB-O 3.32Å; Y169-H173 WeakPolarHBondContact CB-O 3.41Å; Y169-H173 HydrophobicContact CD1-CB 4Å; Y169-H173 WeakPolarHBondContact CD1-O 3.32Å; Y169-H179 HydrophobicContact CD1-CB 4.07Å; Y169-H179 HydrophobicContact CE1-CB 3.46Å; Y169-H179 VanDerWaalsContact CE1-CB 3.46Å; Y169-H179 AromaticContact CE1-CG 3.61Å; Y169-H179 AromaticContact CE2-CD2 3.87Å; Y169-H179 AromaticContact CE2-CE1 3.75Å; Y169-H179 AromaticContact CE2-CG 3.99Å; Y169-H179 AromaticContact CE2-ND1 3.9Å; Y169-H179 AromaticContact CE2-NE2 3.71Å; Y169-H179 AromaticContact CZ-CD2 3.41Å; Y169-H179 VanDerWaalsContact CZ-CD2 3.41Å; Y169-H179 AromaticContact CZ-CG 3.47Å; Y169-H179 VanDerWaalsContact CZ-CG 3.47Å; Y169-H179 AromaticContact CZ-ND1 3.83Å; Y169-H179 AromaticContact CZ-NE2 3.78Å; Y169-H179 PolarHBondContact OH-CD2 3.31Å |
| 170 | C | 95.8 | Very high | 94.1 | Very high | 13 Ų | 13 | 69.3 Ų | 69.3 | 9% | 0.088 | 38% | 0.377 | C | S | . | . | trans | -85.4 | 167 | 168.2 | 67.4 | 0 | 0 | 0 | 0 | 110.2 | C149 V156 V172 H173 R174 | C149-C170 HydrophobicContact CB-CB 4.17Å; V156-C170 HydrophobicContact CG1-CB 3.61Å; C170-V172 PolarHBondContact O-N 3.15Å; C170-H173 CarbonylContact O-C 3.51Å; C170-H173 PolarHBondContact O-N 3.2Å; C170-H173 PolarHBondContact SG-ND1 3.28Å; C170-R174 PolarHBondContact O-N 2.89Å; C170-R174 VanDerWaalsContact O-N 3.08Å | ||
| 171 | G | 93.8 | Very high | 94.1 | Very high | 42 Ų | 42 | 69.5 Ų | 69.5 | 43% | 0.433 | 38% | 0.375 | S | S | . | . | G | 310 helix | trans | -51.1 | -35.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 172 | V | 95.2 | Very high | 94.1 | Very high | 110 Ų | 110 | 71.9 Ų | 71.9 | 67% | 0.667 | 40% | 0.399 | S | S | * | . | G | 310 helix | trans | -69.6 | -32.3 | 176.8 | -177.9 | 0 | 0 | 0 | 0 | 112.8 | C170 | C170-V172 PolarHBondContact O-N 3.15Š|
| 173 | H | 96.1 | Very high | 94.2 | Very high | 38 Ų | 38 | 67.1 Ų | 67.1 | 18% | 0.176 | 37% | 0.374 | C | S | . | . | G | 310 helix | trans | -106.3 | 12 | -174.6 | -61.4 | 110.1 | 0 | 0 | 0 | 113.2 | M151 C152 Y169 C170 H179 | M151-H173 WeakPolarHBondContact CE-CD2 3.42Å; M151-H173 HydrophobicContact SD-CB 3.75Å; M151-H173 PolarHBondContact SD-CD2 3.2Å; C152-H173 VanDerWaalsContact SG-CE1 3.57Å; C152-H173 PolarHBondContact SG-ND1 3.07Å; C152-H173 VanDerWaalsContact SG-ND1 3.37Å; Y169-H173 VanDerWaalsContact CB-O 3.32Å; Y169-H173 WeakPolarHBondContact CB-O 3.41Å; Y169-H173 HydrophobicContact CD1-CB 4Å; Y169-H173 WeakPolarHBondContact CD1-O 3.32Å; C170-H173 CarbonylContact O-C 3.51Å; C170-H173 PolarHBondContact O-N 3.2Å; C170-H173 PolarHBondContact SG-ND1 3.28Å; H173-H179 PolarHBondContact O-ND1 3.03Å; H173-H179 VanDerWaalsContact O-ND1 3.17Å |
| 174 | R | 95.4 | Very high | 94.2 | Very high | 122 Ų | 122 | 71.1 Ų | 71.1 | 46% | 0.46 | 40% | 0.395 | S | S | . | . | trans | -65.4 | -37 | -175.8 | 176.7 | -179.4 | -177.6 | -175.7 | -2.1 | 113 | F161 C170 | F161-R174 HydrophobicContact CB-CB 4.26Å; F161-R174 HydrophobicContact CB-CG 3.73Å; F161-R174 HydrophobicContact CD1-CG 4.49Å; F161-R174 HydrophobicContact CD2-CB 4.2Å; F161-R174 HydrophobicContact CD2-CG 4.18Å; F161-R174 HydrophobicContact CG-CB 4.36Å; F161-R174 HydrophobicContact CG-CG 3.88Å; C170-R174 PolarHBondContact O-N 2.89Å; C170-R174 VanDerWaalsContact O-N 3.08Å | ||
| 175 | Y | 94.4 | Very high | 94.2 | Very high | 147 Ų | 147 | 68.1 Ų | 68.1 | 58% | 0.576 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -78.6 | 150.9 | -171 | -54.8 | -76.1 | 0 | 0 | 0 | 111.6 | D177 V178 H179 | Y175-D177 VanDerWaalsContact C-N 3.33Å; Y175-D177 VanDerWaalsContact C-OD1 3.26Å; Y175-D177 WeakPolarHBondContact CB-OD1 3.34Å; Y175-D177 PolarHBondContact O-N 3.32Å; Y175-V178 WeakPolarHBondContact O-CG2 3.12Å; Y175-V178 PolarHBondContact O-N 3.37Å; Y175-H179 PolarHBondContact O-CE1 2.91Å; Y175-H179 PolarHBondContact O-ND1 3.1Å |
| 176 | S | 93 | Very high | 94.2 | Very high | 43 Ų | 43 | 75.3 Ų | 75.3 | 30% | 0.301 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -25.4 | -166.5 | -48.4 | 0 | 0 | 0 | 0 | 114.3 | C181 Y185 | S176-C181 VanDerWaalsContact O-CB 3.31Å; S176-C181 WeakPolarHBondContact O-CB 3.41Å; S176-C181 PolarHBondContact O-N 3.15Å; S176-C181 VanDerWaalsContact O-N 3.15Å; S176-Y185 WeakPolarHBondContact OG-CE2 3.32Å; S176-Y185 PolarHBondContact OG-OH 3.39Å |
| 177 | D | 92.4 | Very high | 94.4 | Very high | 120 Ų | 120 | 74.5 Ų | 74.5 | 64% | 0.642 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -50.3 | 173.9 | 57.6 | -27.2 | 0 | 0 | 0 | 111.8 | Y175 H179 | Y175-D177 VanDerWaalsContact C-N 3.33Å; Y175-D177 VanDerWaalsContact C-OD1 3.26Å; Y175-D177 WeakPolarHBondContact CB-OD1 3.34Å; Y175-D177 PolarHBondContact O-N 3.32Å; D177-H179 VanDerWaalsContact C-N 3.29Å; D177-H179 PolarHBondContact O-N 3.27Å |
| 178 | V | 95.3 | Very high | 94.4 | Very high | 60 Ų | 60 | 75.1 Ų | 75.1 | 36% | 0.364 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -19.7 | -173.7 | -68.7 | 0 | 0 | 0 | 0 | 114 | M151 Y175 | M151-V178 WeakPolarHBondContact CE-O 3.2Å; Y175-V178 WeakPolarHBondContact O-CG2 3.12Å; Y175-V178 PolarHBondContact O-N 3.37Å |
| 179 | H | 92.4 | Very high | 94.4 | Very high | 15 Ų | 15 | 75.2 Ų | 75.2 | 7% | 0.069 | 41% | 0.407 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.5 | 15.7 | -176.7 | 71.6 | -110.9 | 0 | 0 | 0 | 116.2 | M151 C163 Y169 H173 Y175 D177 C181 | M151-H179 HydrophobicContact CG-CB 4.01Å; M151-H179 VanDerWaalsContact SD-CA 3.52Å; M151-H179 HydrophobicContact SD-CB 3.36Å; M151-H179 WeakPolarHBondContact SD-CB 3.48Å; C163-H179 PolarHBondContact SG-CE1 3.45Å; C163-H179 PolarHBondContact SG-NE2 3.16Å; Y169-H179 HydrophobicContact CD1-CB 4.07Å; Y169-H179 HydrophobicContact CE1-CB 3.46Å; Y169-H179 VanDerWaalsContact CE1-CB 3.46Å; Y169-H179 AromaticContact CE1-CG 3.61Å; Y169-H179 AromaticContact CE2-CD2 3.87Å; Y169-H179 AromaticContact CE2-CE1 3.75Å; Y169-H179 AromaticContact CE2-CG 3.99Å; Y169-H179 AromaticContact CE2-ND1 3.9Å; Y169-H179 AromaticContact CE2-NE2 3.71Å; Y169-H179 AromaticContact CZ-CD2 3.41Å; Y169-H179 VanDerWaalsContact CZ-CD2 3.41Å; Y169-H179 AromaticContact CZ-CG 3.47Å; Y169-H179 VanDerWaalsContact CZ-CG 3.47Å; Y169-H179 AromaticContact CZ-ND1 3.83Å; Y169-H179 AromaticContact CZ-NE2 3.78Å; Y169-H179 PolarHBondContact OH-CD2 3.31Å; H173-H179 PolarHBondContact O-ND1 3.03Å; H173-H179 VanDerWaalsContact O-ND1 3.17Å; Y175-H179 PolarHBondContact O-CE1 2.91Å; Y175-H179 PolarHBondContact O-ND1 3.1Å; D177-H179 VanDerWaalsContact C-N 3.29Å; D177-H179 PolarHBondContact O-N 3.27Å; H179-C181 WeakPolarHBondContact NE2-CB 3.4Å; H179-C181 PolarHBondContact NE2-SG 3.02Å; H179-C181 PolarHBondContact O-N 2.89Å |
| 180 | N | 90.8 | Very high | 94.5 | Very high | 151 Ų | 151 | 77.8 Ų | 77.8 | 81% | 0.807 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.6 | 55.4 | -176.9 | -66.8 | -21.7 | 0 | 0 | 0 | 111.8 | S182 | N180-S182 PolarHBondContact O-N 2.89Å; N180-S182 VanDerWaalsContact O-N 3.17Å |
| 181 | C | 94.9 | Very high | 94.5 | Very high | 27 Ų | 27 | 82.7 Ų | 82.7 | 18% | 0.182 | 45% | 0.451 | C | S | . | . | trans | -61.3 | 118.9 | -171.8 | -162 | 0 | 0 | 0 | 0 | 112.4 | S176 H179 Y183 Y185 | S176-C181 VanDerWaalsContact O-CB 3.31Å; S176-C181 WeakPolarHBondContact O-CB 3.41Å; S176-C181 PolarHBondContact O-N 3.15Å; S176-C181 VanDerWaalsContact O-N 3.15Å; H179-C181 WeakPolarHBondContact NE2-CB 3.4Å; H179-C181 PolarHBondContact NE2-SG 3.02Å; H179-C181 PolarHBondContact O-N 2.89Å; C181-Y183 PolarHBondContact O-N 3.22Å; C181-Y185 HydrophobicContact CB-CE2 4.23Å | ||
| 182 | S | 94.3 | Very high | 94.6 | Very high | 110 Ų | 110 | 85.8 Ų | 85.8 | 77% | 0.769 | 45% | 0.452 | S | S | * | . | trans | -72.1 | -7.8 | 177.3 | 54.7 | 0 | 0 | 0 | 0 | 114.4 | N180 | N180-S182 PolarHBondContact O-N 2.89Å; N180-S182 VanDerWaalsContact O-N 3.17Å | ||
| 183 | Y | 95.4 | Very high | 94.6 | Very high | 67 Ų | 67 | 85.9 Ų | 85.9 | 26% | 0.263 | 45% | 0.448 | S | S | . | . | S | Bend | trans | -84 | 125.2 | -178.1 | 178.4 | -88.1 | 0 | 0 | 0 | 111.3 | R164 C181 Y185 D188 | R164-Y183 HydrophobicContact CB-CD1 3.68Å; R164-Y183 HydrophobicContact CB-CD2 3.69Å; R164-Y183 HydrophobicContact CB-CE1 3.88Å; R164-Y183 HydrophobicContact CB-CE2 3.89Å; R164-Y183 HydrophobicContact CB-CG 3.57Å; R164-Y183 HydrophobicContact CG-CD1 4.42Å; R164-Y183 HydrophobicContact CG-CE1 4.26Å; R164-Y183 PolarHBondContact NH1-OH 2.98Å; R164-Y183 WeakPolarHBondContact O-CD2 3.45Å; C181-Y183 PolarHBondContact O-N 3.22Å; Y183-Y185 AromaticContact CD1-CD1 3.98Å; Y183-Y185 HydrophobicContact CD1-CD1 3.98Å; Y183-Y185 AromaticContact CD1-CD2 3.77Å; Y183-Y185 HydrophobicContact CD1-CD2 3.77Å; Y183-Y185 AromaticContact CD1-CE1 4Å; Y183-Y185 HydrophobicContact CD1-CE1 4Å; Y183-Y185 AromaticContact CD1-CE2 3.74Å; Y183-Y185 HydrophobicContact CD1-CE2 3.74Å; Y183-Y185 AromaticContact CD1-CG 3.87Å; Y183-Y185 HydrophobicContact CD1-CG 3.87Å; Y183-Y185 AromaticContact CD1-CZ 3.86Å; Y183-Y185 AromaticContact CE1-CD1 3.95Å; Y183-Y185 HydrophobicContact CE1-CD1 3.95Å; Y183-Y185 HydrophobicContact CE1-CD2 4.46Å; Y183-Y185 HydrophobicContact CE1-CE1 4.18Å; Y183-Y185 HydrophobicContact CE1-CG 4.1Å; Y183-Y185 WeakPolarHBondContact O-CD2 3.43Å; Y183-Y185 WeakPolarHBondContact O-CE2 3.25Å; Y183-Y185 PolarHBondContact O-N 3.09Å; Y183-D188 HydrophobicContact CE1-CB 4.17Å; Y183-D188 VanDerWaalsContact OH-CB 3.3Å; Y183-D188 WeakPolarHBondContact OH-CB 3.43Å; Y183-D188 PolarHBondContact OH-OD1 2.99Å; Y183-D188 PolarHBondContact OH-OD2 3.01Å |
| 184 | N | 94.6 | Very high | 94.4 | Very high | 100 Ų | 100 | 92.7 Ų | 92.7 | 54% | 0.535 | 47% | 0.472 | S | S | . | . | trans | -84.6 | 83.6 | -176.3 | -167.9 | -18.8 | 0 | 0 | 0 | 112.5 | K186 A187 D188 | N184-K186 PolarHBondContact O-N 2.67Å; N184-K186 VanDerWaalsContact O-N 3.15Å; N184-K186 PolarHBondContact OD1-N 3.4Å; N184-A187 HydrophobicContact CB-CB 4.19Å; N184-A187 PolarHBondContact O-N 3.28Å; N184-A187 VanDerWaalsContact O-N 3.17Å; N184-A187 PolarHBondContact OD1-N 3.29Å; N184-D188 PolarHBondContact O-N 3.27Å | ||
| 185 | Y | 92.9 | Very high | 94.4 | Very high | 73 Ų | 73 | 95.7 Ų | 95.7 | 29% | 0.286 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -54 | -29.7 | 175.9 | -66.8 | -92.2 | 0 | 0 | 0 | 114.4 | C163 R164 S176 C181 Y183 A189 | C163-Y185 PolarHBondContact SG-OH 3.47Å; R164-Y185 HydrophobicContact CG-CE1 4.36Å; S176-Y185 WeakPolarHBondContact OG-CE2 3.32Å; S176-Y185 PolarHBondContact OG-OH 3.39Å; C181-Y185 HydrophobicContact CB-CE2 4.23Å; Y183-Y185 AromaticContact CD1-CD1 3.98Å; Y183-Y185 HydrophobicContact CD1-CD1 3.98Å; Y183-Y185 AromaticContact CD1-CD2 3.77Å; Y183-Y185 HydrophobicContact CD1-CD2 3.77Å; Y183-Y185 AromaticContact CD1-CE1 4Å; Y183-Y185 HydrophobicContact CD1-CE1 4Å; Y183-Y185 AromaticContact CD1-CE2 3.74Å; Y183-Y185 HydrophobicContact CD1-CE2 3.74Å; Y183-Y185 AromaticContact CD1-CG 3.87Å; Y183-Y185 HydrophobicContact CD1-CG 3.87Å; Y183-Y185 AromaticContact CD1-CZ 3.86Å; Y183-Y185 AromaticContact CE1-CD1 3.95Å; Y183-Y185 HydrophobicContact CE1-CD1 3.95Å; Y183-Y185 HydrophobicContact CE1-CD2 4.46Å; Y183-Y185 HydrophobicContact CE1-CE1 4.18Å; Y183-Y185 HydrophobicContact CE1-CG 4.1Å; Y183-Y185 WeakPolarHBondContact O-CD2 3.43Å; Y183-Y185 WeakPolarHBondContact O-CE2 3.25Å; Y183-Y185 PolarHBondContact O-N 3.09Å; Y185-A189 VanDerWaalsContact O-CB 3.28Å; Y185-A189 WeakPolarHBondContact O-CB 3.3Å; Y185-A189 PolarHBondContact O-N 3.12Å; Y185-A189 VanDerWaalsContact O-N 3.09Å |
| 186 | K | 94.3 | Very high | 94.5 | Very high | 178 Ų | 178 | 94.5 Ų | 94.5 | 77% | 0.774 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -72.2 | -40 | -179.7 | -64.7 | -175.9 | 178.8 | -178.4 | 0 | 111.4 | N184 A190 | N184-K186 PolarHBondContact O-N 2.67Å; N184-K186 VanDerWaalsContact O-N 3.15Å; N184-K186 PolarHBondContact OD1-N 3.4Å; K186-A190 VanDerWaalsContact O-CB 3.25Å; K186-A190 WeakPolarHBondContact O-CB 3.48Å; K186-A190 PolarHBondContact O-N 2.93Å |
| 187 | A | 95.9 | Very high | 94.6 | Very high | 54 Ų | 54 | 97.8 Ų | 97.8 | 45% | 0.446 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.7 | -47.7 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | N184 A189 A190 E191 | N184-A187 HydrophobicContact CB-CB 4.19Å; N184-A187 PolarHBondContact O-N 3.28Å; N184-A187 VanDerWaalsContact O-N 3.17Å; N184-A187 PolarHBondContact OD1-N 3.29Å; A187-A189 PolarHBondContact O-N 3.43Å; A187-A190 PolarHBondContact O-N 3.47Å; A187-E191 WeakPolarHBondContact O-CB 3.28Å; A187-E191 PolarHBondContact O-N 3.43Å |
| 188 | D | 94.7 | Very high | 94.4 | Very high | 61 Ų | 61 | 96.5 Ų | 96.5 | 33% | 0.326 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -56.8 | -47.8 | 175.7 | 173.5 | 76.9 | 0 | 0 | 0 | 112.3 | R164 Y183 N184 E191 K192 | R164-D188 IonicContact CZ-OD2 2.69Å; R164-D188 IonicContact NH1-OD2 4Å; R164-D188 PolarHBondContact NH1-OD2 3.17Å; Y183-D188 HydrophobicContact CE1-CB 4.17Å; Y183-D188 VanDerWaalsContact OH-CB 3.3Å; Y183-D188 WeakPolarHBondContact OH-CB 3.43Å; Y183-D188 PolarHBondContact OH-OD1 2.99Å; Y183-D188 PolarHBondContact OH-OD2 3.01Å; N184-D188 PolarHBondContact O-N 3.27Å; D188-E191 PolarHBondContact O-N 2.97Å; D188-K192 WeakPolarHBondContact O-CB 3.25Å; D188-K192 PolarHBondContact O-N 3.49Å |
| 189 | A | 95.4 | Very high | 93.9 | Very high | 44 Ų | 44 | 100 Ų | 100 | 36% | 0.364 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.9 | -42.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y185 A187 K192 I193 | Y185-A189 VanDerWaalsContact O-CB 3.28Å; Y185-A189 WeakPolarHBondContact O-CB 3.3Å; Y185-A189 PolarHBondContact O-N 3.12Å; Y185-A189 VanDerWaalsContact O-N 3.09Å; A187-A189 PolarHBondContact O-N 3.43Å; A189-K192 PolarHBondContact O-N 2.88Å; A189-I193 WeakPolarHBondContact O-CB 3.34Å; A189-I193 WeakPolarHBondContact O-CD1 3.36Å; A189-I193 VanDerWaalsContact O-CG1 3.25Å; A189-I193 WeakPolarHBondContact O-CG1 3.28Å; A189-I193 PolarHBondContact O-N 2.92Å |
| 190 | A | 96.6 | Very high | 93.8 | Very high | 59 Ų | 59 | 105.6 Ų | 105.6 | 49% | 0.488 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -66.7 | -39.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | K186 A187 I193 R194 | K186-A190 VanDerWaalsContact O-CB 3.25Å; K186-A190 WeakPolarHBondContact O-CB 3.48Å; K186-A190 PolarHBondContact O-N 2.93Å; A187-A190 PolarHBondContact O-N 3.47Å; A190-I193 PolarHBondContact O-N 3.29Å; A190-R194 VanDerWaalsContact O-CB 3.28Å; A190-R194 WeakPolarHBondContact O-CB 3.47Å; A190-R194 PolarHBondContact O-N 2.9Å |
| 191 | E | 95.6 | Very high | 93.6 | Very high | 115 Ų | 115 | 104.4 Ų | 104.4 | 54% | 0.537 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -65 | -42.9 | 174.4 | 173.3 | 144.8 | -109.7 | 0 | 0 | 111.9 | A187 D188 R194 K195 | A187-E191 WeakPolarHBondContact O-CB 3.28Å; A187-E191 PolarHBondContact O-N 3.43Å; D188-E191 PolarHBondContact O-N 2.97Å; E191-R194 PolarHBondContact O-N 2.69Å; E191-R194 IonicContact OE1-CZ 3.16Å; E191-R194 IonicContact OE1-NH2 2.69Å; E191-R194 PolarHBondContact OE1-NH2 3.33Å; E191-K195 WeakPolarHBondContact O-CB 3.19Å; E191-K195 PolarHBondContact O-N 2.99Å |
| 192 | K | 95.8 | Very high | 93.3 | Very high | 108 Ų | 108 | 106.1 Ų | 106.1 | 47% | 0.47 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -58.6 | -50.4 | 173.4 | 173.9 | 169.8 | -88.5 | -84.4 | 0 | 111.7 | D188 A189 R194 K195 E196 | D188-K192 WeakPolarHBondContact O-CB 3.25Å; D188-K192 PolarHBondContact O-N 3.49Å; A189-K192 PolarHBondContact O-N 2.88Å; K192-R194 VanDerWaalsContact C-N 3.32Å; K192-R194 PolarHBondContact O-N 3.2Å; K192-K195 PolarHBondContact O-N 3.32Å; K192-E196 VanDerWaalsContact CG-CD 3.42Å; K192-E196 HydrophobicContact CG-CG 4.35Å; K192-E196 WeakPolarHBondContact CG-OE1 3.49Å; K192-E196 WeakPolarHBondContact CG-OE2 3.33Å; K192-E196 IonicContact NZ-OE1 2.66Å; K192-E196 PolarHBondContact NZ-OE1 3.29Å; K192-E196 IonicContact NZ-OE2 3.85Å; K192-E196 WeakPolarHBondContact O-CB 3.44Å; K192-E196 WeakPolarHBondContact O-CG 3.42Å; K192-E196 PolarHBondContact O-N 2.66Å |
| 193 | I | 95.2 | Very high | 93 | Very high | 111 Ų | 111 | 110.2 Ų | 110.2 | 57% | 0.569 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -60.1 | -42.3 | 177.7 | -68.9 | 163.7 | 0 | 0 | 0 | 111 | A189 A190 K195 E196 N197 | A189-I193 WeakPolarHBondContact O-CB 3.34Å; A189-I193 WeakPolarHBondContact O-CD1 3.36Å; A189-I193 VanDerWaalsContact O-CG1 3.25Å; A189-I193 WeakPolarHBondContact O-CG1 3.28Å; A189-I193 PolarHBondContact O-N 2.92Å; A190-I193 PolarHBondContact O-N 3.29Å; I193-K195 VanDerWaalsContact C-N 3.25Å; I193-K195 PolarHBondContact O-N 2.9Å; I193-E196 PolarHBondContact O-N 3.07Å; I193-N197 WeakPolarHBondContact O-CB 3.49Å; I193-N197 PolarHBondContact O-N 3.4Å |
| 194 | R | 93.9 | Very high | 92.5 | Very high | 181 Ų | 181 | 116.6 Ų | 116.6 | 68% | 0.683 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -60.4 | -32.4 | 175.2 | 177.8 | 177.9 | 67.3 | 178.3 | 0.7 | 113.1 | A190 E191 K192 | A190-R194 VanDerWaalsContact O-CB 3.28Å; A190-R194 WeakPolarHBondContact O-CB 3.47Å; A190-R194 PolarHBondContact O-N 2.9Å; E191-R194 PolarHBondContact O-N 2.69Å; E191-R194 IonicContact OE1-CZ 3.16Å; E191-R194 IonicContact OE1-NH2 2.69Å; E191-R194 PolarHBondContact OE1-NH2 3.33Å; K192-R194 VanDerWaalsContact C-N 3.32Å; K192-R194 PolarHBondContact O-N 3.2Å |
| 195 | K | 95.4 | Very high | 92 | Very high | 185 Ų | 185 | 119.5 Ų | 119.5 | 80% | 0.804 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -82.8 | -31.5 | 177.9 | -175.1 | 176.2 | 179.5 | 178.1 | 0 | 113.2 | E191 K192 I193 | E191-K195 WeakPolarHBondContact O-CB 3.19Å; E191-K195 PolarHBondContact O-N 2.99Å; K192-K195 PolarHBondContact O-N 3.32Å; I193-K195 VanDerWaalsContact C-N 3.25Å; I193-K195 PolarHBondContact O-N 2.9Å |
| 196 | E | 95.8 | Very high | 91.2 | Very high | 122 Ų | 122 | 124.6 Ų | 124.6 | 57% | 0.57 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -94.3 | -18.3 | -173.9 | -70.2 | 172.6 | -176.8 | 0 | 0 | 113.5 | K192 I193 P198 | K192-E196 VanDerWaalsContact CG-CD 3.42Å; K192-E196 HydrophobicContact CG-CG 4.35Å; K192-E196 WeakPolarHBondContact CG-OE1 3.49Å; K192-E196 WeakPolarHBondContact CG-OE2 3.33Å; K192-E196 IonicContact NZ-OE1 2.66Å; K192-E196 PolarHBondContact NZ-OE1 3.29Å; K192-E196 IonicContact NZ-OE2 3.85Å; K192-E196 WeakPolarHBondContact O-CB 3.44Å; K192-E196 WeakPolarHBondContact O-CG 3.42Å; K192-E196 PolarHBondContact O-N 2.66Å; I193-E196 PolarHBondContact O-N 3.07Å; E196-P198 WeakPolarHBondContact O-CD 3.35Å |
| 197 | N | 94.5 | Very high | 90.6 | Very high | 113 Ų | 113 | 125.9 Ų | 125.9 | 60% | 0.604 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -84.1 | 112 | 178.1 | -171.8 | 23.4 | 0 | 0 | 0 | 111.9 | I193 | I193-N197 WeakPolarHBondContact O-CB 3.49Å; I193-N197 PolarHBondContact O-N 3.4Å |
| 198 | P | 87.7 | Confident | 89.8 | Confident | 92 Ų | 92 | 134.1 Ų | 134.1 | 60% | 0.597 | 69% | 0.693 | S | S | * | * | trans | -71.1 | 145.4 | 178.7 | 30.8 | -35.2 | 0 | 0 | 0 | 111.6 | E196 V200 | E196-P198 WeakPolarHBondContact O-CD 3.35Å; P198-V200 PolarHBondContact O-N 3.31Å | ||
| 199 | V | 86.6 | Confident | 89.5 | Confident | 135 Ų | 135 | 137.8 Ų | 137.8 | 82% | 0.818 | 71% | 0.711 | S | S | * | * | trans | -75.7 | 98.7 | 178.9 | -172.1 | 0 | 0 | 0 | 0 | 110 | V201 | V199-V201 HydrophobicContact CG1-CG2 3.98Å; V199-V201 PolarHBondContact O-N 3.05Å | ||
| 200 | V | 88.9 | Confident | 89.2 | Confident | 131 Ų | 131 | 142.7 Ų | 142.7 | 79% | 0.794 | 73% | 0.73 | S | S | * | * | trans | -80.9 | 103.1 | 175.3 | -177.1 | 0 | 0 | 0 | 0 | 109.7 | P198 | P198-V200 PolarHBondContact O-N 3.31Š| ||
| 201 | V | 87.4 | Confident | 88.8 | Confident | 126 Ų | 126 | 147.3 Ų | 147.3 | 76% | 0.764 | 74% | 0.743 | S | S | * | * | trans | -103.6 | 111 | 168.3 | -172.9 | 0 | 0 | 0 | 0 | 108.3 | V199 | V199-V201 HydrophobicContact CG1-CG2 3.98Å; V199-V201 PolarHBondContact O-N 3.05Å | ||
| 202 | G | 87.3 | Confident | 88.4 | Confident | 64 Ų | 64 | 149.2 Ų | 149.2 | 66% | 0.66 | 76% | 0.755 | S | S | * | * | trans | -86.8 | 144.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 203 | E | 88.3 | Confident | 88 | Confident | 196 Ų | 196 | 151.8 Ų | 151.8 | 92% | 0.916 | 77% | 0.773 | S | S | * | * | trans | -64.7 | 140.3 | 172.4 | -65.6 | -170.5 | 156.1 | 0 | 0 | 111.1 | I205 | E203-I205 PolarHBondContact O-N 3.46Å; E203-I205 VanDerWaalsContact O-N 3.16Å | ||
| 204 | K | 86.8 | Confident | 87.5 | Confident | 200 Ų | 200 | 154.5 Ų | 154.5 | 87% | 0.87 | 79% | 0.787 | S | S | * | * | trans | -75.3 | 108.4 | 179.5 | -172.9 | 179.6 | -178.5 | -179.3 | 0 | 109.5 | Q206 | K204-Q206 PolarHBondContact O-N 3.29Š| ||
| 205 | I | 82.8 | Confident | 87 | Confident | 161 Ų | 161 | 152.6 Ų | 152.6 | 83% | 0.826 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -48.4 | 127.6 | 178.4 | -41.3 | 176.9 | 0 | 0 | 0 | 110 | E203 | E203-I205 PolarHBondContact O-N 3.46Å; E203-I205 VanDerWaalsContact O-N 3.16Å |
| 206 | Q | 77.3 | Confident | 86.4 | Confident | 180 Ų | 180 | 150.2 Ų | 150.2 | 84% | 0.841 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 141.7 | 175.5 | -62.6 | -173.1 | 13.5 | 0 | 0 | 110.1 | K204 I208 | K204-Q206 PolarHBondContact O-N 3.29Å; Q206-I208 PolarHBondContact O-N 3.16Å |
| 207 | K | 81.9 | Confident | 85.6 | Confident | 206 Ų | 206 | 152.5 Ų | 152.5 | 90% | 0.896 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 119.8 | -179.7 | -176.2 | -179.1 | 177 | -169.4 | 0 | 109.8 | ||
| 208 | I | 77.9 | Confident | 84.8 | Confident | 226 Ų | 226 | 156.1 Ų | 156.1 | 100% | 1.159 | 83% | 0.831 | S | S | * | * | trans | -77.1 | 0 | 165.1 | 1.1 | 176.1 | 0 | 0 | 0 | 110.8 | Q206 | Q206-I208 PolarHBondContact O-N 3.16Š|
Retrieved 208 of 208 residues in 80.4 ms
(Link to these results)