| 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 | 42.2 | Very low | 75.2 | Confident | 242 Ų | 242 | 113.5 Ų | 113.5 | 100% | 1.192 | 64% | 0.64 | S | S | * | * | 0 | 108.3 | 0 | -64.5 | 176.8 | 179.5 | 0 | 0 | 106.6 | G3 | M1-G3 PolarHBondContact O-N 3.12Š| |||
| 2 | A | 48.3 | Very low | 76.8 | Confident | 105 Ų | 105 | 113.8 Ų | 113.8 | 87% | 0.868 | 63% | 0.629 | S | S | * | * | trans | -68.1 | 103 | 172.3 | 0 | 0 | 0 | 0 | 0 | 106.6 | Q4 | A2-Q4 PolarHBondContact O-N 3.28Š| ||
| 3 | G | 59.7 | Low | 78.1 | Confident | 67 Ų | 67 | 113.6 Ų | 113.6 | 69% | 0.691 | 62% | 0.621 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 127.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | M1 I5 | M1-G3 PolarHBondContact O-N 3.12Å; G3-I5 PolarHBondContact O-N 3.41Å |
| 4 | Q | 64.7 | Low | 79.3 | Confident | 194 Ų | 194 | 114.9 Ų | 114.9 | 91% | 0.907 | 62% | 0.618 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 120.8 | 170.5 | -70.9 | 173.3 | -23.9 | 0 | 0 | 107.5 | A2 S6 | A2-Q4 PolarHBondContact O-N 3.28Å; Q4-S6 PolarHBondContact O-N 3.13Å |
| 5 | I | 72.1 | Confident | 80.4 | Confident | 98 Ų | 98 | 118.1 Ų | 118.1 | 50% | 0.503 | 62% | 0.624 | S | S | . | * | P | Polyproline II helix | trans | -59.5 | 120.7 | 168.6 | -55.2 | 171.6 | 0 | 0 | 0 | 105.3 | G3 D9 Q10 | G3-I5 PolarHBondContact O-N 3.41Å; I5-D9 HydrophobicContact CG2-CB 3.83Å; I5-Q10 HydrophobicContact CB-CG 4.25Å; I5-Q10 HydrophobicContact CG2-CG 3.63Å |
| 6 | S | 84.8 | Confident | 81.4 | Confident | 44 Ų | 44 | 118.9 Ų | 118.9 | 31% | 0.308 | 62% | 0.623 | S | S | . | * | P | Polyproline II helix | trans | -62.8 | 149.3 | 179.4 | 71.1 | 0 | 0 | 0 | 0 | 109.4 | Q4 S8 D9 Q10 | Q4-S6 PolarHBondContact O-N 3.13Å; S6-S8 PolarHBondContact O-N 3.34Å; S6-S8 VanDerWaalsContact O-N 3.13Å; S6-S8 PolarHBondContact OG-OG 2.92Å; S6-D9 PolarHBondContact O-N 3.5Å; S6-D9 VanDerWaalsContact OG-CG 3.23Å; S6-D9 PolarHBondContact OG-N 2.86Å; S6-D9 VanDerWaalsContact OG-N 3.1Å; S6-D9 PolarHBondContact OG-OD2 3.32Å; S6-Q10 PolarHBondContact O-N 3.3Å |
| 7 | E | 87.9 | Confident | 82.2 | Confident | 153 Ų | 153 | 119.2 Ų | 119.2 | 72% | 0.715 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -52.6 | -36.6 | 174.3 | -171.8 | -178.8 | 91.4 | 0 | 0 | 111.2 | D9 Q10 I11 | E7-D9 PolarHBondContact O-N 3.12Å; E7-Q10 PolarHBondContact O-N 3.39Å; E7-I11 HydrophobicContact CG-CD1 4.28Å; E7-I11 VanDerWaalsContact O-CG1 3.31Å; E7-I11 WeakPolarHBondContact O-CG1 3.4Å; E7-I11 PolarHBondContact O-N 3.35Å |
| 8 | S | 90.1 | Very high | 83 | Confident | 66 Ų | 66 | 116.8 Ų | 116.8 | 46% | 0.462 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -63.9 | -34.6 | 175.1 | 56.3 | 0 | 0 | 0 | 0 | 113.9 | S6 K12 | S6-S8 PolarHBondContact O-N 3.34Å; S6-S8 VanDerWaalsContact O-N 3.13Å; S6-S8 PolarHBondContact OG-OG 2.92Å; S8-K12 VanDerWaalsContact O-CG 3.29Å; S8-K12 WeakPolarHBondContact O-CG 3.38Å; S8-K12 PolarHBondContact O-N 3.12Å; S8-K12 VanDerWaalsContact O-N 3.15Å |
| 9 | D | 92.3 | Very high | 83.8 | Confident | 67 Ų | 67 | 112.9 Ų | 112.9 | 36% | 0.358 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -77.5 | -33.5 | 177 | -69.9 | -23.3 | 0 | 0 | 0 | 111.9 | I5 S6 E7 K12 Q13 | I5-D9 HydrophobicContact CG2-CB 3.83Å; S6-D9 PolarHBondContact O-N 3.5Å; S6-D9 VanDerWaalsContact OG-CG 3.23Å; S6-D9 PolarHBondContact OG-N 2.86Å; S6-D9 VanDerWaalsContact OG-N 3.1Å; S6-D9 PolarHBondContact OG-OD2 3.32Å; E7-D9 PolarHBondContact O-N 3.12Å; D9-K12 PolarHBondContact O-N 3.44Å; D9-K12 IonicContact OD1-NZ 2.95Å; D9-K12 PolarHBondContact OD1-NZ 3.47Å; D9-Q13 WeakPolarHBondContact O-CG 3.45Å; D9-Q13 PolarHBondContact O-N 2.83Å |
| 10 | Q | 91.4 | Very high | 84.4 | Confident | 109 Ų | 109 | 110.7 Ų | 110.7 | 51% | 0.509 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -62.5 | -43.6 | 170.9 | -65 | -177 | -52.8 | 0 | 0 | 111.6 | I5 S6 E7 K12 Q13 F14 | I5-Q10 HydrophobicContact CB-CG 4.25Å; I5-Q10 HydrophobicContact CG2-CG 3.63Å; S6-Q10 PolarHBondContact O-N 3.3Å; E7-Q10 PolarHBondContact O-N 3.39Å; Q10-K12 VanDerWaalsContact C-N 3.34Å; Q10-K12 PolarHBondContact O-N 3.06Å; Q10-Q13 PolarHBondContact O-N 3.27Å; Q10-F14 PolarHBondContact O-N 3.27Å |
| 11 | I | 93.6 | Very high | 85 | Confident | 104 Ų | 104 | 111.8 Ų | 111.8 | 53% | 0.533 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -62.1 | -41.7 | 176.6 | -69.1 | 166.1 | 0 | 0 | 0 | 111 | E7 F14 K15 | E7-I11 HydrophobicContact CG-CD1 4.28Å; E7-I11 VanDerWaalsContact O-CG1 3.31Å; E7-I11 WeakPolarHBondContact O-CG1 3.4Å; E7-I11 PolarHBondContact O-N 3.35Å; I11-F14 PolarHBondContact O-N 2.97Å; I11-K15 WeakPolarHBondContact O-CB 3.38Å; I11-K15 PolarHBondContact O-N 3.43Å |
| 12 | K | 94.5 | Very high | 87.6 | Confident | 117 Ų | 117 | 105.1 Ų | 105.1 | 51% | 0.509 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -61.6 | -49 | 175.8 | -72.5 | 170.4 | -162.8 | 159.7 | 0 | 111.6 | S8 D9 Q10 F14 K15 E16 | S8-K12 VanDerWaalsContact O-CG 3.29Å; S8-K12 WeakPolarHBondContact O-CG 3.38Å; S8-K12 PolarHBondContact O-N 3.12Å; S8-K12 VanDerWaalsContact O-N 3.15Å; D9-K12 PolarHBondContact O-N 3.44Å; D9-K12 IonicContact OD1-NZ 2.95Å; D9-K12 PolarHBondContact OD1-NZ 3.47Å; Q10-K12 VanDerWaalsContact C-N 3.34Å; Q10-K12 PolarHBondContact O-N 3.06Å; K12-F14 VanDerWaalsContact C-N 3.28Å; K12-F14 PolarHBondContact O-N 3.33Å; K12-K15 WeakPolarHBondContact O-CB 3.38Å; K12-K15 PolarHBondContact O-N 3.02Å; K12-K15 VanDerWaalsContact O-N 3.12Å; K12-E16 WeakPolarHBondContact O-CG 3.47Å; K12-E16 PolarHBondContact O-N 3.02Å |
| 13 | Q | 94.3 | Very high | 89.9 | Confident | 111 Ų | 111 | 105.2 Ų | 105.2 | 52% | 0.519 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -57.9 | -42 | 178.3 | -74.4 | 179.4 | -0.8 | 0 | 0 | 111.7 | D9 Q10 E16 F17 | D9-Q13 WeakPolarHBondContact O-CG 3.45Å; D9-Q13 PolarHBondContact O-N 2.83Å; Q10-Q13 PolarHBondContact O-N 3.27Å; Q13-E16 PolarHBondContact O-N 3.11Å; Q13-F17 WeakPolarHBondContact O-CB 3.4Å; Q13-F17 PolarHBondContact O-N 3.05Å |
| 14 | F | 94.7 | Very high | 91.7 | Very high | 131 Ų | 131 | 102.7 Ų | 102.7 | 58% | 0.575 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.6 | -40.7 | 177.2 | -167.8 | -107.2 | 0 | 0 | 0 | 112.3 | Q10 I11 K12 F17 L18 | Q10-F14 PolarHBondContact O-N 3.27Å; I11-F14 PolarHBondContact O-N 2.97Å; K12-F14 VanDerWaalsContact C-N 3.28Å; K12-F14 PolarHBondContact O-N 3.33Å; F14-F17 WeakPolarHBondContact O-CB 3.26Å; F14-F17 PolarHBondContact O-N 3.37Å; F14-L18 HydrophobicContact CD1-CD1 3.92Å; F14-L18 HydrophobicContact CD1-CG 4.33Å; F14-L18 HydrophobicContact CE1-CD1 3.57Å; F14-L18 HydrophobicContact CE1-CD2 4.41Å; F14-L18 HydrophobicContact CE1-CG 4.05Å; F14-L18 HydrophobicContact CZ-CD1 4.26Å; F14-L18 HydrophobicContact CZ-CD2 4.29Å; F14-L18 HydrophobicContact CZ-CG 4.35Å; F14-L18 WeakPolarHBondContact O-CG 2.9Å; F14-L18 PolarHBondContact O-N 3.46Å |
| 15 | K | 96.2 | Very high | 93.3 | Very high | 163 Ų | 163 | 96.9 Ų | 96.9 | 71% | 0.709 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -62.8 | -42.9 | 175.7 | -171.5 | 178.3 | 179.9 | -179.7 | 0 | 112 | I11 K12 F17 L18 G19 | I11-K15 WeakPolarHBondContact O-CB 3.38Å; I11-K15 PolarHBondContact O-N 3.43Å; K12-K15 WeakPolarHBondContact O-CB 3.38Å; K12-K15 PolarHBondContact O-N 3.02Å; K12-K15 VanDerWaalsContact O-N 3.12Å; K15-F17 VanDerWaalsContact C-N 3.34Å; K15-L18 PolarHBondContact O-N 3.36Å; K15-G19 PolarHBondContact O-N 2.86Å |
| 16 | E | 95.1 | Very high | 94.5 | Very high | 132 Ų | 132 | 96.9 Ų | 96.9 | 62% | 0.617 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -64.3 | -39.9 | 175.6 | -72.5 | 178.7 | 148 | 0 | 0 | 111.9 | K12 Q13 G19 T20 | K12-E16 WeakPolarHBondContact O-CG 3.47Å; K12-E16 PolarHBondContact O-N 3.02Å; Q13-E16 PolarHBondContact O-N 3.11Å; E16-G19 PolarHBondContact O-N 3.2Å; E16-T20 WeakPolarHBondContact O-CB 3.42Å; E16-T20 PolarHBondContact O-N 3.22Å; E16-T20 PolarHBondContact O-OG1 3.36Å |
| 17 | F | 95.7 | Very high | 95.2 | Very high | 123 Ų | 123 | 96.3 Ų | 96.3 | 54% | 0.539 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -59.1 | -49.8 | 174.1 | 171 | -99.4 | 0 | 0 | 0 | 111.5 | Q13 F14 K15 G19 T20 Y21 | Q13-F17 WeakPolarHBondContact O-CB 3.4Å; Q13-F17 PolarHBondContact O-N 3.05Å; F14-F17 WeakPolarHBondContact O-CB 3.26Å; F14-F17 PolarHBondContact O-N 3.37Å; K15-F17 VanDerWaalsContact C-N 3.34Å; F17-G19 VanDerWaalsContact C-N 3.31Å; F17-G19 PolarHBondContact O-N 2.95Å; F17-T20 PolarHBondContact O-N 3.02Å; F17-Y21 WeakPolarHBondContact O-CB 3.44Å; F17-Y21 PolarHBondContact O-N 3.1Å |
| 18 | L | 96.9 | Very high | 95.7 | Very high | 76 Ų | 76 | 89.6 Ų | 89.6 | 40% | 0.398 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -62.4 | -39.2 | 178.4 | -68.1 | 177.6 | 0 | 0 | 0 | 112.2 | F14 K15 T20 Y21 N22 | F14-L18 HydrophobicContact CD1-CD1 3.92Å; F14-L18 HydrophobicContact CD1-CG 4.33Å; F14-L18 HydrophobicContact CE1-CD1 3.57Å; F14-L18 HydrophobicContact CE1-CD2 4.41Å; F14-L18 HydrophobicContact CE1-CG 4.05Å; F14-L18 HydrophobicContact CZ-CD1 4.26Å; F14-L18 HydrophobicContact CZ-CD2 4.29Å; F14-L18 HydrophobicContact CZ-CG 4.35Å; F14-L18 WeakPolarHBondContact O-CG 2.9Å; F14-L18 PolarHBondContact O-N 3.46Å; K15-L18 PolarHBondContact O-N 3.36Å; L18-T20 VanDerWaalsContact C-N 3.35Å; L18-Y21 PolarHBondContact O-N 3.37Å; L18-N22 PolarHBondContact O-N 2.91Å; L18-N22 PolarHBondContact O-ND2 3.32Å |
| 19 | G | 97.1 | Very high | 96 | Very high | 43 Ų | 43 | 91.6 Ų | 91.6 | 44% | 0.443 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -60.3 | -45.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | K15 E16 F17 N22 K23 | K15-G19 PolarHBondContact O-N 2.86Å; E16-G19 PolarHBondContact O-N 3.2Å; F17-G19 VanDerWaalsContact C-N 3.31Å; F17-G19 PolarHBondContact O-N 2.95Å; G19-N22 PolarHBondContact O-N 3.37Å; G19-K23 PolarHBondContact O-N 3.29Å; G19-K23 VanDerWaalsContact O-N 3.07Å |
| 20 | T | 95.7 | Very high | 96.3 | Very high | 69 Ų | 69 | 94.2 Ų | 94.2 | 42% | 0.423 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -66.8 | -41.2 | 178.1 | -54.7 | 0 | 0 | 0 | 0 | 111.7 | E16 F17 L18 N22 K23 L24 Y56 | E16-T20 WeakPolarHBondContact O-CB 3.42Å; E16-T20 PolarHBondContact O-N 3.22Å; E16-T20 PolarHBondContact O-OG1 3.36Å; F17-T20 PolarHBondContact O-N 3.02Å; L18-T20 VanDerWaalsContact C-N 3.35Å; T20-N22 PolarHBondContact O-N 3.36Å; T20-K23 PolarHBondContact O-N 3.44Å; T20-L24 VanDerWaalsContact O-CB 3.29Å; T20-L24 WeakPolarHBondContact O-CB 3.41Å; T20-L24 PolarHBondContact O-N 2.68Å; T20-Y56 HydrophobicContact CG2-CE1 4.46Å |
| 21 | Y | 97.1 | Very high | 96.6 | Very high | 133 Ų | 133 | 94.7 Ų | 94.7 | 52% | 0.522 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -57 | -50.1 | 175.7 | 173.2 | -96.3 | 0 | 0 | 0 | 111 | F17 L18 K23 L24 T25 | F17-Y21 WeakPolarHBondContact O-CB 3.44Å; F17-Y21 PolarHBondContact O-N 3.1Å; L18-Y21 PolarHBondContact O-N 3.37Å; Y21-K23 VanDerWaalsContact C-N 3.34Å; Y21-K23 PolarHBondContact O-N 2.89Å; Y21-L24 PolarHBondContact O-N 2.98Å; Y21-T25 PolarHBondContact O-N 3.39Å; Y21-T25 PolarHBondContact O-OG1 3.41Å; Y21-T25 VanDerWaalsContact O-OG1 3.06Å |
| 22 | N | 97.6 | Very high | 96.8 | Very high | 103 Ų | 103 | 89.9 Ų | 89.9 | 55% | 0.551 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -62 | -42.6 | 178.7 | -70.7 | -17.3 | 0 | 0 | 0 | 111.8 | L18 G19 T20 L24 T25 E26 | L18-N22 PolarHBondContact O-N 2.91Å; L18-N22 PolarHBondContact O-ND2 3.32Å; G19-N22 PolarHBondContact O-N 3.37Å; T20-N22 PolarHBondContact O-N 3.36Å; N22-L24 VanDerWaalsContact C-N 3.33Å; N22-L24 PolarHBondContact O-N 3.2Å; N22-T25 PolarHBondContact O-N 2.95Å; N22-E26 PolarHBondContact O-N 3.13Å |
| 23 | K | 97.1 | Very high | 97 | Very high | 106 Ų | 106 | 85.7 Ų | 85.7 | 46% | 0.461 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -64 | -40.3 | 179.3 | -176.6 | 62.2 | -165.8 | 166.6 | 0 | 112.4 | G19 T20 Y21 E26 T27 | G19-K23 PolarHBondContact O-N 3.29Å; G19-K23 VanDerWaalsContact O-N 3.07Å; T20-K23 PolarHBondContact O-N 3.44Å; Y21-K23 VanDerWaalsContact C-N 3.34Å; Y21-K23 PolarHBondContact O-N 2.89Å; K23-E26 IonicContact NZ-OE2 3.39Å; K23-E26 PolarHBondContact NZ-OE2 3.47Å; K23-T27 WeakPolarHBondContact O-CB 3.26Å; K23-T27 PolarHBondContact O-N 3.33Å; K23-T27 PolarHBondContact O-OG1 3.49Å |
| 24 | L | 97.5 | Very high | 97.1 | Very high | 15 Ų | 15 | 87.7 Ų | 87.7 | 8% | 0.079 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -66.2 | -46.4 | 178.3 | 179.4 | 48.3 | 0 | 0 | 0 | 111.6 | T20 Y21 N22 E26 T27 C28 L53 Y56 L57 | T20-L24 VanDerWaalsContact O-CB 3.29Å; T20-L24 WeakPolarHBondContact O-CB 3.41Å; T20-L24 PolarHBondContact O-N 2.68Å; Y21-L24 PolarHBondContact O-N 2.98Å; N22-L24 VanDerWaalsContact C-N 3.33Å; N22-L24 PolarHBondContact O-N 3.2Å; L24-E26 VanDerWaalsContact C-N 3.34Å; L24-E26 PolarHBondContact O-N 2.85Å; L24-T27 PolarHBondContact O-N 3.38Å; L24-C28 PolarHBondContact O-N 3.44Å; L24-L53 HydrophobicContact CD2-CD1 3.28Å; L24-L53 HydrophobicContact CG-CD1 4.1Å; L24-Y56 HydrophobicContact CB-CE1 4.43Å; L24-Y56 HydrophobicContact CD1-CD1 3.52Å; L24-Y56 HydrophobicContact CD1-CD2 3.92Å; L24-Y56 HydrophobicContact CD1-CE1 4.16Å; L24-Y56 HydrophobicContact CD1-CG 3.38Å; L24-Y56 HydrophobicContact CD2-CD1 3.93Å; L24-Y56 HydrophobicContact CD2-CE1 4.42Å; L24-Y56 HydrophobicContact CG-CD1 4.21Å; L24-L57 HydrophobicContact CD2-CD2 4.32Å |
| 25 | T | 97.6 | Very high | 97.1 | Very high | 71 Ų | 71 | 83.6 Ų | 83.6 | 44% | 0.436 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -58.5 | -45.9 | 176.2 | -61.2 | 0 | 0 | 0 | 0 | 111.4 | Y21 N22 T27 F29 | Y21-T25 PolarHBondContact O-N 3.39Å; Y21-T25 PolarHBondContact O-OG1 3.41Å; Y21-T25 VanDerWaalsContact O-OG1 3.06Å; N22-T25 PolarHBondContact O-N 2.95Å; T25-T27 PolarHBondContact O-N 3.19Å; T25-F29 VanDerWaalsContact O-CB 3.26Å; T25-F29 WeakPolarHBondContact O-CB 3.32Å; T25-F29 PolarHBondContact O-N 3.43Å |
| 26 | E | 98.2 | Very high | 97.1 | Very high | 99 Ų | 99 | 83 Ų | 83 | 46% | 0.463 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -58.9 | -48.3 | 175.3 | 179.1 | -172.6 | -123.5 | 0 | 0 | 111.7 | N22 K23 L24 F29 L30 | N22-E26 PolarHBondContact O-N 3.13Å; K23-E26 IonicContact NZ-OE2 3.39Å; K23-E26 PolarHBondContact NZ-OE2 3.47Å; L24-E26 VanDerWaalsContact C-N 3.34Å; L24-E26 PolarHBondContact O-N 2.85Å; E26-F29 PolarHBondContact O-N 2.93Å; E26-L30 HydrophobicContact CG-CD1 3.96Å; E26-L30 WeakPolarHBondContact O-CG 3.37Å; E26-L30 PolarHBondContact O-N 2.99Å |
| 27 | T | 97.9 | Very high | 97.2 | Very high | 32 Ų | 32 | 82.3 Ų | 82.3 | 20% | 0.196 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -61.5 | -49 | -177.5 | -55 | 0 | 0 | 0 | 0 | 111.1 | K23 L24 T25 F29 L30 D31 | K23-T27 WeakPolarHBondContact O-CB 3.26Å; K23-T27 PolarHBondContact O-N 3.33Å; K23-T27 PolarHBondContact O-OG1 3.49Å; L24-T27 PolarHBondContact O-N 3.38Å; T25-T27 PolarHBondContact O-N 3.19Å; T27-F29 VanDerWaalsContact C-N 3.35Å; T27-F29 PolarHBondContact O-N 3.41Å; T27-L30 PolarHBondContact O-N 3.02Å; T27-D31 WeakPolarHBondContact O-CB 3.3Å; T27-D31 PolarHBondContact O-N 2.77Å |
| 28 | C | 98.3 | Very high | 97.2 | Very high | 11 Ų | 11 | 79 Ų | 79 | 7% | 0.074 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -69.4 | -33.3 | -179.7 | -64.1 | 0 | 0 | 0 | 0 | 112.6 | L24 C32 C52 | L24-C28 PolarHBondContact O-N 3.44Å; C28-C32 WeakPolarHBondContact O-CB 3.44Å; C28-C32 PolarHBondContact O-N 2.85Å; C28-C52 WeakPolarHBondContact CA-SG 3.47Å; C28-C52 HydrophobicContact CB-CB 3.82Å; C28-C52 WeakPolarHBondContact CB-SG 3.29Å; C28-C52 WeakPolarHBondContact SG-CB 3.35Å; C28-C52 CovalentContact SG-SG 2.05Å; C28-C52 PolarHBondContact SG-SG 3.4Å |
| 29 | F | 98.1 | Very high | 97.1 | Very high | 108 Ų | 108 | 87.8 Ų | 87.8 | 47% | 0.474 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -62 | -49 | 173.5 | -179 | -93.6 | 0 | 0 | 0 | 111.2 | T25 E26 T27 D31 V33 F36 | T25-F29 VanDerWaalsContact O-CB 3.26Å; T25-F29 WeakPolarHBondContact O-CB 3.32Å; T25-F29 PolarHBondContact O-N 3.43Å; E26-F29 PolarHBondContact O-N 2.93Å; T27-F29 VanDerWaalsContact C-N 3.35Å; T27-F29 PolarHBondContact O-N 3.41Å; F29-D31 VanDerWaalsContact C-N 3.33Å; F29-D31 PolarHBondContact O-N 2.85Å; F29-V33 HydrophobicContact CD2-CB 3.87Å; F29-V33 HydrophobicContact CD2-CG1 4.33Å; F29-V33 HydrophobicContact CD2-CG2 3.63Å; F29-V33 HydrophobicContact CE2-CB 3.83Å; F29-V33 HydrophobicContact CE2-CG1 3.79Å; F29-V33 HydrophobicContact CE2-CG2 3.94Å; F29-V33 HydrophobicContact CG-CB 4.4Å; F29-V33 HydrophobicContact CG-CG2 4.34Å; F29-V33 HydrophobicContact CZ-CB 4.33Å; F29-V33 HydrophobicContact CZ-CG1 4.19Å; F29-V33 WeakPolarHBondContact O-CB 3.33Å; F29-V33 PolarHBondContact O-N 3.45Å; F29-F36 HydrophobicContact CZ-CE1 4.15Å; F29-F36 HydrophobicContact CZ-CZ 4.43Å |
| 30 | L | 98 | Very high | 97.1 | Very high | 122 Ų | 122 | 93.4 Ų | 93.4 | 64% | 0.639 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -63.5 | -36.2 | -179.9 | -70.9 | 174 | 0 | 0 | 0 | 113.1 | E26 T27 | E26-L30 HydrophobicContact CG-CD1 3.96Å; E26-L30 WeakPolarHBondContact O-CG 3.37Å; E26-L30 PolarHBondContact O-N 2.99Å; T27-L30 PolarHBondContact O-N 3.02Å |
| 31 | D | 97.8 | Very high | 97.1 | Very high | 119 Ų | 119 | 94 Ų | 94 | 64% | 0.636 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -83.8 | -31.6 | -177.1 | -72.5 | -15.5 | 0 | 0 | 0 | 113.2 | T27 F29 | T27-D31 WeakPolarHBondContact O-CB 3.3Å; T27-D31 PolarHBondContact O-N 2.77Å; F29-D31 VanDerWaalsContact C-N 3.33Å; F29-D31 PolarHBondContact O-N 2.85Å |
| 32 | C | 98.3 | Very high | 97 | Very high | 4 Ų | 4 | 91.2 Ų | 91.2 | 3% | 0.027 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -110.2 | -32.7 | -169.9 | -68.1 | 0 | 0 | 0 | 0 | 115.1 | C28 K34 E45 C48 S49 | C28-C32 WeakPolarHBondContact O-CB 3.44Å; C28-C32 PolarHBondContact O-N 2.85Å; C32-K34 PolarHBondContact O-N 2.8Å; C32-E45 WeakPolarHBondContact O-CG 3.32Å; C32-C48 VanDerWaalsContact CA-SG 3.52Å; C32-C48 HydrophobicContact CB-CB 3.59Å; C32-C48 WeakPolarHBondContact CB-SG 3.37Å; C32-C48 WeakPolarHBondContact SG-CB 3.33Å; C32-C48 PolarHBondContact SG-O 3.32Å; C32-C48 VanDerWaalsContact SG-O 3.33Å; C32-C48 CovalentContact SG-SG 2.05Å; C32-C48 PolarHBondContact SG-SG 3.4Å; C32-S49 PolarHBondContact SG-N 2.83Å; C32-S49 VanDerWaalsContact SG-N 3.45Å |
| 33 | V | 97.6 | Very high | 97 | Very high | 28 Ų | 28 | 90.6 Ų | 90.6 | 17% | 0.17 | 45% | 0.45 | C | S | . | . | trans | -90.2 | 103.7 | -177.7 | -175.3 | 0 | 0 | 0 | 0 | 108.8 | F29 F36 E45 | F29-V33 HydrophobicContact CD2-CB 3.87Å; F29-V33 HydrophobicContact CD2-CG1 4.33Å; F29-V33 HydrophobicContact CD2-CG2 3.63Å; F29-V33 HydrophobicContact CE2-CB 3.83Å; F29-V33 HydrophobicContact CE2-CG1 3.79Å; F29-V33 HydrophobicContact CE2-CG2 3.94Å; F29-V33 HydrophobicContact CG-CB 4.4Å; F29-V33 HydrophobicContact CG-CG2 4.34Å; F29-V33 HydrophobicContact CZ-CB 4.33Å; F29-V33 HydrophobicContact CZ-CG1 4.19Å; F29-V33 WeakPolarHBondContact O-CB 3.33Å; F29-V33 PolarHBondContact O-N 3.45Å; V33-F36 HydrophobicContact CG1-CE1 4.15Å; V33-F36 HydrophobicContact CG1-CZ 4.17Å; V33-E45 WeakPolarHBondContact CA-OE1 3.4Å | ||
| 34 | K | 96.3 | Very high | 97 | Very high | 154 Ų | 154 | 92.3 Ų | 92.3 | 67% | 0.67 | 46% | 0.46 | S | S | * | . | trans | -125.4 | -16.4 | -170.6 | 62.8 | -175.3 | 177.3 | -177.5 | 0 | 112.8 | C32 E45 | C32-K34 PolarHBondContact O-N 2.8Å; K34-E45 PolarHBondContact N-OE1 3.49Å | ||
| 35 | D | 95.1 | Very high | 97 | Very high | 45 Ų | 45 | 91.8 Ų | 91.8 | 24% | 0.241 | 46% | 0.457 | C | S | . | . | trans | -106.6 | 113.2 | -179.5 | -163 | -40.1 | 0 | 0 | 0 | 111.2 | T37 K42 E45 | D35-T37 VanDerWaalsContact OD1-CB 3.26Å; D35-T37 WeakPolarHBondContact OD1-CB 3.13Å; D35-T37 VanDerWaalsContact OD1-CG2 3.32Å; D35-T37 WeakPolarHBondContact OD1-CG2 3.15Å; D35-T37 PolarHBondContact OD1-N 3.08Å; D35-T37 PolarHBondContact OD1-OG1 3.42Å; D35-K42 HydrophobicContact CB-CD 4.12Å; D35-K42 VanDerWaalsContact CG-NZ 3.32Å; D35-K42 IonicContact OD1-NZ 3.77Å; D35-K42 VanDerWaalsContact OD2-CE 3.26Å; D35-K42 WeakPolarHBondContact OD2-CE 3.41Å; D35-K42 IonicContact OD2-NZ 2.59Å; D35-K42 PolarHBondContact OD2-NZ 2.98Å; D35-E45 PolarHBondContact N-OE1 3.43Å | ||
| 36 | F | 96.6 | Very high | 97 | Very high | 150 Ų | 150 | 93 Ų | 93 | 66% | 0.658 | 46% | 0.459 | S | S | * | . | trans | -107.3 | 22.4 | -179.1 | -60.6 | -84.2 | 0 | 0 | 0 | 112.6 | F29 V33 | F29-F36 HydrophobicContact CZ-CE1 4.15Å; F29-F36 HydrophobicContact CZ-CZ 4.43Å; V33-F36 HydrophobicContact CG1-CE1 4.15Å; V33-F36 HydrophobicContact CG1-CZ 4.17Å | ||
| 37 | T | 96.8 | Very high | 97 | Very high | 118 Ų | 118 | 91.6 Ų | 91.6 | 72% | 0.724 | 46% | 0.457 | S | S | * | . | S | Bend | trans | -83.1 | -21.1 | 179.1 | 61.8 | 0 | 0 | 0 | 0 | 113.4 | D35 | D35-T37 VanDerWaalsContact OD1-CB 3.26Å; D35-T37 WeakPolarHBondContact OD1-CB 3.13Å; D35-T37 VanDerWaalsContact OD1-CG2 3.32Å; D35-T37 WeakPolarHBondContact OD1-CG2 3.15Å; D35-T37 PolarHBondContact OD1-N 3.08Å; D35-T37 PolarHBondContact OD1-OG1 3.42Å |
| 38 | S | 95.2 | Very high | 97 | Very high | 52 Ų | 52 | 92.4 Ų | 92.4 | 36% | 0.364 | 46% | 0.464 | S | S | . | . | trans | -129.2 | 158 | 177.7 | 56.6 | 0 | 0 | 0 | 0 | 111.5 | E40 | S38-E40 VanDerWaalsContact C-N 3.32Å; S38-E40 PolarHBondContact OG-O 3.04Å; S38-E40 VanDerWaalsContact OG-O 3.14Å | ||
| 39 | R | 95.8 | Very high | 97 | Very high | 261 Ų | 261 | 93.6 Ų | 93.6 | 99% | 0.985 | 47% | 0.472 | S | S | * | . | S | Bend | trans | -79.6 | -17.3 | 170 | -67 | -176.3 | 179.1 | -175.8 | -0.3 | 113.3 | ||
| 40 | E | 96.1 | Very high | 97 | Very high | 161 Ų | 161 | 94.3 Ų | 94.3 | 75% | 0.752 | 48% | 0.477 | S | S | * | . | S | Bend | trans | -82.3 | 141.7 | 177.2 | -62.8 | -178.7 | 171.7 | 0 | 0 | 110.4 | S38 | S38-E40 VanDerWaalsContact C-N 3.32Å; S38-E40 PolarHBondContact OG-O 3.04Å; S38-E40 VanDerWaalsContact OG-O 3.14Å |
| 41 | V | 95.9 | Very high | 97.1 | Very high | 81 Ų | 81 | 93.9 Ų | 93.9 | 49% | 0.491 | 47% | 0.471 | S | S | . | . | P | Polyproline II helix | trans | -76.9 | 122.9 | 174.5 | -174.8 | 0 | 0 | 0 | 0 | 108.3 | E45 M46 | V41-E45 HydrophobicContact CG1-CB 3.79Å; V41-M46 HydrophobicContact CB-CG 4.07Å; V41-M46 HydrophobicContact CG1-CG 3.56Å |
| 42 | K | 96.3 | Very high | 97.1 | Very high | 75 Ų | 75 | 89.2 Ų | 89.2 | 33% | 0.326 | 45% | 0.448 | S | S | . | . | P | Polyproline II helix | trans | -68 | 151.1 | -178.2 | -68.9 | -171.7 | 177.6 | -170.5 | 0 | 110.6 | D35 E44 E45 M46 | D35-K42 HydrophobicContact CB-CD 4.12Å; D35-K42 VanDerWaalsContact CG-NZ 3.32Å; D35-K42 IonicContact OD1-NZ 3.77Å; D35-K42 VanDerWaalsContact OD2-CE 3.26Å; D35-K42 WeakPolarHBondContact OD2-CE 3.41Å; D35-K42 IonicContact OD2-NZ 2.59Å; D35-K42 PolarHBondContact OD2-NZ 2.98Å; K42-E44 PolarHBondContact O-N 3.5Å; K42-E44 VanDerWaalsContact O-N 3.16Å; K42-E45 HydrophobicContact CB-CG 4.16Å; K42-E45 PolarHBondContact N-OE2 3.3Å; K42-E45 VanDerWaalsContact N-OE2 3.11Å; K42-E45 WeakPolarHBondContact O-CB 3.36Å; K42-E45 PolarHBondContact O-N 3.01Å; K42-M46 PolarHBondContact O-N 3.37Å |
| 43 | P | 97.2 | Very high | 97 | Very high | 91 Ų | 91 | 92.8 Ų | 92.8 | 59% | 0.591 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -56.4 | -35.6 | -179.8 | 21.2 | -33 | 0 | 0 | 0 | 112.8 | M46 T47 | P43-M46 HydrophobicContact CB-CE 4.42Å; P43-M46 PolarHBondContact O-N 2.99Å; P43-T47 PolarHBondContact O-N 2.74Å; P43-T47 PolarHBondContact O-OG1 3.47Å |
| 44 | E | 96.8 | Very high | 97.1 | Very high | 141 Ų | 141 | 96.6 Ų | 96.6 | 66% | 0.659 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -63.4 | -39.8 | 174.8 | -61.7 | -179.2 | -171.9 | 0 | 0 | 112.8 | K42 C48 | K42-E44 PolarHBondContact O-N 3.5Å; K42-E44 VanDerWaalsContact O-N 3.16Å; E44-C48 VanDerWaalsContact O-CB 3.3Å; E44-C48 WeakPolarHBondContact O-CB 3.36Å; E44-C48 PolarHBondContact O-N 3.23Å |
| 45 | E | 97.8 | Very high | 97.1 | Very high | 5 Ų | 5 | 96.9 Ų | 96.9 | 2% | 0.023 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -73 | -35.3 | 178.9 | -58.7 | -179.8 | 131.5 | 0 | 0 | 111.2 | C32 V33 K34 D35 V41 K42 C48 S49 | C32-E45 WeakPolarHBondContact O-CG 3.32Å; V33-E45 WeakPolarHBondContact CA-OE1 3.4Å; K34-E45 PolarHBondContact N-OE1 3.49Å; D35-E45 PolarHBondContact N-OE1 3.43Å; V41-E45 HydrophobicContact CG1-CB 3.79Å; K42-E45 HydrophobicContact CB-CG 4.16Å; K42-E45 PolarHBondContact N-OE2 3.3Å; K42-E45 VanDerWaalsContact N-OE2 3.11Å; K42-E45 WeakPolarHBondContact O-CB 3.36Å; K42-E45 PolarHBondContact O-N 3.01Å; E45-C48 PolarHBondContact O-N 3.34Å; E45-S49 WeakPolarHBondContact O-CB 3.33Å; E45-S49 PolarHBondContact O-N 3.45Å; E45-S49 PolarHBondContact O-OG 3.19Å |
| 46 | M | 97.6 | Very high | 97.3 | Very high | 97 Ų | 97 | 97.3 Ų | 97.3 | 48% | 0.478 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.2 | -54 | 172.2 | -69.4 | -161.5 | -72.6 | 0 | 0 | 111 | V41 K42 P43 C48 S49 E50 | V41-M46 HydrophobicContact CB-CG 4.07Å; V41-M46 HydrophobicContact CG1-CG 3.56Å; K42-M46 PolarHBondContact O-N 3.37Å; P43-M46 HydrophobicContact CB-CE 4.42Å; P43-M46 PolarHBondContact O-N 2.99Å; M46-C48 VanDerWaalsContact C-N 3.3Å; M46-C48 PolarHBondContact O-N 3.42Å; M46-S49 PolarHBondContact O-N 3.5Å; M46-S49 VanDerWaalsContact O-N 3.15Å; M46-E50 PolarHBondContact O-N 2.92Å |
| 47 | T | 98.3 | Very high | 97.3 | Very high | 68 Ų | 68 | 93.9 Ų | 93.9 | 42% | 0.417 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60.9 | -39.7 | 178.3 | -57.5 | 0 | 0 | 0 | 0 | 111.8 | P43 H51 | P43-T47 PolarHBondContact O-N 2.74Å; P43-T47 PolarHBondContact O-OG1 3.47Å; T47-H51 WeakPolarHBondContact O-CB 3.45Å; T47-H51 PolarHBondContact O-N 2.92Å; T47-H51 VanDerWaalsContact O-N 3.09Å |
| 48 | C | 98.4 | Very high | 97.3 | Very high | 50 Ų | 50 | 94.9 Ų | 94.9 | 34% | 0.338 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -59.7 | -48.1 | 174.2 | -177.9 | 0 | 0 | 0 | 0 | 111.6 | C32 E44 E45 M46 E50 H51 C52 | C32-C48 VanDerWaalsContact CA-SG 3.52Å; C32-C48 HydrophobicContact CB-CB 3.59Å; C32-C48 WeakPolarHBondContact CB-SG 3.37Å; C32-C48 WeakPolarHBondContact SG-CB 3.33Å; C32-C48 PolarHBondContact SG-O 3.32Å; C32-C48 VanDerWaalsContact SG-O 3.33Å; C32-C48 CovalentContact SG-SG 2.05Å; C32-C48 PolarHBondContact SG-SG 3.4Å; E44-C48 VanDerWaalsContact O-CB 3.3Å; E44-C48 WeakPolarHBondContact O-CB 3.36Å; E44-C48 PolarHBondContact O-N 3.23Å; E45-C48 PolarHBondContact O-N 3.34Å; M46-C48 VanDerWaalsContact C-N 3.3Å; M46-C48 PolarHBondContact O-N 3.42Å; C48-E50 PolarHBondContact O-N 3.29Å; C48-H51 PolarHBondContact O-N 3.07Å; C48-C52 WeakPolarHBondContact O-CB 3.45Å; C48-C52 PolarHBondContact O-N 3.31Å |
| 49 | S | 97.9 | Very high | 97.5 | Very high | 35 Ų | 35 | 96.5 Ų | 96.5 | 25% | 0.245 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -64.4 | -40.3 | -176.9 | -58.5 | 0 | 0 | 0 | 0 | 112.1 | C32 E45 M46 C52 L53 | C32-S49 PolarHBondContact SG-N 2.83Å; C32-S49 VanDerWaalsContact SG-N 3.45Å; E45-S49 WeakPolarHBondContact O-CB 3.33Å; E45-S49 PolarHBondContact O-N 3.45Å; E45-S49 PolarHBondContact O-OG 3.19Å; M46-S49 PolarHBondContact O-N 3.5Å; M46-S49 VanDerWaalsContact O-N 3.15Å; S49-C52 WeakPolarHBondContact O-CB 3.29Å; S49-C52 PolarHBondContact O-N 2.91Å; S49-L53 PolarHBondContact O-N 2.91Å |
| 50 | E | 98.1 | Very high | 97.5 | Very high | 124 Ų | 124 | 87 Ų | 87 | 58% | 0.579 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -62.7 | -46 | 174.3 | -72.9 | 179.9 | 176 | 0 | 0 | 112.1 | M46 C48 L53 Q54 | M46-E50 PolarHBondContact O-N 2.92Å; C48-E50 PolarHBondContact O-N 3.29Å; E50-L53 PolarHBondContact O-N 3.01Å; E50-Q54 WeakPolarHBondContact O-CG 3.47Å; E50-Q54 PolarHBondContact O-N 3.41Å |
| 51 | H | 98.4 | Very high | 97.5 | Very high | 113 Ų | 113 | 85.4 Ų | 85.4 | 52% | 0.523 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -66.3 | -37.4 | 176.2 | -70.3 | 166.7 | 0 | 0 | 0 | 112.2 | T47 C48 Q54 K55 | T47-H51 WeakPolarHBondContact O-CB 3.45Å; T47-H51 PolarHBondContact O-N 2.92Å; T47-H51 VanDerWaalsContact O-N 3.09Å; C48-H51 PolarHBondContact O-N 3.07Å; H51-Q54 PolarHBondContact O-N 3.46Å; H51-K55 WeakPolarHBondContact O-CB 3.09Å; H51-K55 PolarHBondContact O-N 3.34Å |
| 52 | C | 98.4 | Very high | 97.6 | Very high | 21 Ų | 21 | 89.8 Ų | 89.8 | 14% | 0.142 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -58.5 | -50.6 | 174.7 | 173.1 | 0 | 0 | 0 | 0 | 110.8 | C28 C48 S49 Q54 K55 Y56 | C28-C52 WeakPolarHBondContact CA-SG 3.47Å; C28-C52 HydrophobicContact CB-CB 3.82Å; C28-C52 WeakPolarHBondContact CB-SG 3.29Å; C28-C52 WeakPolarHBondContact SG-CB 3.35Å; C28-C52 CovalentContact SG-SG 2.05Å; C28-C52 PolarHBondContact SG-SG 3.4Å; C48-C52 WeakPolarHBondContact O-CB 3.45Å; C48-C52 PolarHBondContact O-N 3.31Å; S49-C52 WeakPolarHBondContact O-CB 3.29Å; S49-C52 PolarHBondContact O-N 2.91Å; C52-Q54 PolarHBondContact O-N 3.34Å; C52-K55 PolarHBondContact O-N 2.98Å; C52-Y56 VanDerWaalsContact O-CB 3.28Å; C52-Y56 WeakPolarHBondContact O-CB 3.48Å; C52-Y56 PolarHBondContact O-N 2.88Å |
| 53 | L | 97.5 | Very high | 97.7 | Very high | 79 Ų | 79 | 91 Ų | 91 | 41% | 0.414 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -54.8 | -54.4 | 175.4 | 170.2 | 58.4 | 0 | 0 | 0 | 111.6 | L24 S49 E50 K55 Y56 L57 | L24-L53 HydrophobicContact CD2-CD1 3.28Å; L24-L53 HydrophobicContact CG-CD1 4.1Å; S49-L53 PolarHBondContact O-N 2.91Å; E50-L53 PolarHBondContact O-N 3.01Å; L53-K55 VanDerWaalsContact C-N 3.34Å; L53-K55 PolarHBondContact O-N 3.12Å; L53-Y56 PolarHBondContact O-N 3.15Å; L53-L57 HydrophobicContact CD1-CD1 3.78Å; L53-L57 HydrophobicContact CD1-CG 4.11Å; L53-L57 HydrophobicContact CG-CD1 4.34Å; L53-L57 WeakPolarHBondContact O-CG 3.36Å; L53-L57 PolarHBondContact O-N 3.1Å |
| 54 | Q | 97.8 | Very high | 97.6 | Very high | 107 Ų | 107 | 89.3 Ų | 89.3 | 50% | 0.5 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -61.3 | -42.6 | -179.1 | -71.8 | -171.9 | -9.2 | 0 | 0 | 112.4 | E50 H51 C52 K58 | E50-Q54 WeakPolarHBondContact O-CG 3.47Å; E50-Q54 PolarHBondContact O-N 3.41Å; H51-Q54 PolarHBondContact O-N 3.46Å; C52-Q54 PolarHBondContact O-N 3.34Å; Q54-K58 WeakPolarHBondContact O-CB 3.05Å; Q54-K58 VanDerWaalsContact O-CG 3.32Å; Q54-K58 WeakPolarHBondContact O-CG 3.42Å; Q54-K58 PolarHBondContact O-N 3.43Å; Q54-K58 VanDerWaalsContact O-N 3.08Å |
| 55 | K | 98.3 | Very high | 97.6 | Very high | 161 Ų | 161 | 87.1 Ų | 87.1 | 70% | 0.7 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -65.1 | -44.8 | 179.3 | -175.8 | 179.1 | 178.3 | -174.1 | 0 | 110.9 | H51 C52 L53 L57 K58 M59 | H51-K55 WeakPolarHBondContact O-CB 3.09Å; H51-K55 PolarHBondContact O-N 3.34Å; C52-K55 PolarHBondContact O-N 2.98Å; L53-K55 VanDerWaalsContact C-N 3.34Å; L53-K55 PolarHBondContact O-N 3.12Å; K55-L57 PolarHBondContact O-N 3.34Å; K55-K58 PolarHBondContact O-N 3.35Å; K55-M59 WeakPolarHBondContact O-CB 3.28Å; K55-M59 PolarHBondContact O-N 2.89Å |
| 56 | Y | 97.8 | Very high | 97.6 | Very high | 53 Ų | 53 | 93.3 Ų | 93.3 | 21% | 0.208 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -61.1 | -45.2 | 179 | -175.2 | -87.6 | 0 | 0 | 0 | 111.9 | T20 L24 C52 L53 M59 T60 | T20-Y56 HydrophobicContact CG2-CE1 4.46Å; L24-Y56 HydrophobicContact CB-CE1 4.43Å; L24-Y56 HydrophobicContact CD1-CD1 3.52Å; L24-Y56 HydrophobicContact CD1-CD2 3.92Å; L24-Y56 HydrophobicContact CD1-CE1 4.16Å; L24-Y56 HydrophobicContact CD1-CG 3.38Å; L24-Y56 HydrophobicContact CD2-CD1 3.93Å; L24-Y56 HydrophobicContact CD2-CE1 4.42Å; L24-Y56 HydrophobicContact CG-CD1 4.21Å; C52-Y56 VanDerWaalsContact O-CB 3.28Å; C52-Y56 WeakPolarHBondContact O-CB 3.48Å; C52-Y56 PolarHBondContact O-N 2.88Å; L53-Y56 PolarHBondContact O-N 3.15Å; Y56-M59 HydrophobicContact CD2-CE 3.91Å; Y56-M59 HydrophobicContact CE2-CE 4.13Å; Y56-M59 HydrophobicContact CG-CE 4.48Å; Y56-M59 PolarHBondContact O-N 2.74Å; Y56-T60 WeakPolarHBondContact O-CB 3.33Å; Y56-T60 PolarHBondContact O-N 2.95Å; Y56-T60 PolarHBondContact O-OG1 3.46Å |
| 57 | L | 96.6 | Very high | 97.6 | Very high | 79 Ų | 79 | 94.5 Ų | 94.5 | 41% | 0.414 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -64.3 | -47.4 | 178.5 | -67.3 | 175.9 | 0 | 0 | 0 | 111.7 | L24 L53 K55 M59 T60 Q61 | L24-L57 HydrophobicContact CD2-CD2 4.32Å; L53-L57 HydrophobicContact CD1-CD1 3.78Å; L53-L57 HydrophobicContact CD1-CG 4.11Å; L53-L57 HydrophobicContact CG-CD1 4.34Å; L53-L57 WeakPolarHBondContact O-CG 3.36Å; L53-L57 PolarHBondContact O-N 3.1Å; K55-L57 PolarHBondContact O-N 3.34Å; L57-M59 VanDerWaalsContact C-N 3.32Å; L57-M59 PolarHBondContact O-N 3.22Å; L57-T60 PolarHBondContact O-N 2.05Å; L57-Q61 WeakPolarHBondContact O-CG 3.06Å; L57-Q61 PolarHBondContact O-N 3.19Å |
| 58 | K | 98.1 | Very high | 97.5 | Very high | 138 Ų | 138 | 96.7 Ų | 96.7 | 60% | 0.6 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -61.8 | -41.1 | 176.6 | -72.7 | 175 | -178.5 | 174.3 | 0 | 111.8 | Q54 K55 R62 | Q54-K58 WeakPolarHBondContact O-CB 3.05Å; Q54-K58 VanDerWaalsContact O-CG 3.32Å; Q54-K58 WeakPolarHBondContact O-CG 3.42Å; Q54-K58 PolarHBondContact O-N 3.43Å; Q54-K58 VanDerWaalsContact O-N 3.08Å; K55-K58 PolarHBondContact O-N 3.35Å; K58-R62 WeakPolarHBondContact O-CB 3.32Å; K58-R62 PolarHBondContact O-N 2.84Å |
| 59 | M | 97.6 | Very high | 97.4 | Very high | 87 Ų | 87 | 97.9 Ų | 97.9 | 43% | 0.429 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -61.5 | -50 | 175.6 | 178.2 | -166.3 | 73.8 | 0 | 0 | 110.9 | K55 Y56 L57 Q61 R62 I63 | K55-M59 WeakPolarHBondContact O-CB 3.28Å; K55-M59 PolarHBondContact O-N 2.89Å; Y56-M59 HydrophobicContact CD2-CE 3.91Å; Y56-M59 HydrophobicContact CE2-CE 4.13Å; Y56-M59 HydrophobicContact CG-CE 4.48Å; Y56-M59 PolarHBondContact O-N 2.74Å; L57-M59 VanDerWaalsContact C-N 3.32Å; L57-M59 PolarHBondContact O-N 3.22Å; M59-Q61 VanDerWaalsContact C-N 3.34Å; M59-Q61 PolarHBondContact O-N 3.45Å; M59-R62 PolarHBondContact O-N 3.33Å; M59-R62 VanDerWaalsContact O-N 3.13Å; M59-I63 HydrophobicContact CE-CD1 4.35Å; M59-I63 HydrophobicContact CG-CD1 3.71Å; M59-I63 HydrophobicContact CG-CG1 4.37Å; M59-I63 WeakPolarHBondContact O-CG1 3.37Å; M59-I63 PolarHBondContact O-N 2.05Å; M59-I63 HydrophobicContact SD-CD1 4.29Å |
| 60 | T | 96.2 | Very high | 97.3 | Very high | 60 Ų | 60 | 103 Ų | 103 | 37% | 0.368 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -60.1 | -43.4 | -179.7 | -58 | 0 | 0 | 0 | 0 | 111.4 | Y56 L57 R62 I63 S64 | Y56-T60 WeakPolarHBondContact O-CB 3.33Å; Y56-T60 PolarHBondContact O-N 2.95Å; Y56-T60 PolarHBondContact O-OG1 3.46Å; L57-T60 PolarHBondContact O-N 2.05Å; T60-R62 PolarHBondContact O-N 2.93Å; T60-I63 PolarHBondContact O-N 3.43Å; T60-S64 WeakPolarHBondContact O-CB 3.48Å; T60-S64 PolarHBondContact O-N 3.48Å |
| 61 | Q | 96.7 | Very high | 97.1 | Very high | 128 Ų | 128 | 100.4 Ų | 100.4 | 60% | 0.598 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -60.9 | -44.8 | 174.2 | -71.6 | 173.3 | 29.5 | 0 | 0 | 111.9 | L57 M59 S64 M65 | L57-Q61 WeakPolarHBondContact O-CG 3.06Å; L57-Q61 PolarHBondContact O-N 3.19Å; M59-Q61 VanDerWaalsContact C-N 3.34Å; M59-Q61 PolarHBondContact O-N 3.45Å; Q61-S64 PolarHBondContact O-N 3.36Å; Q61-M65 PolarHBondContact O-N 3.33Å |
| 62 | R | 97.8 | Very high | 96.9 | Very high | 174 Ų | 174 | 99.4 Ų | 99.4 | 66% | 0.657 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -64.4 | -42.2 | 178.8 | -172.5 | 174.8 | -178.2 | 174.2 | 1 | 112.4 | K58 M59 T60 M65 R66 | K58-R62 WeakPolarHBondContact O-CB 3.32Å; K58-R62 PolarHBondContact O-N 2.84Å; M59-R62 PolarHBondContact O-N 3.33Å; M59-R62 VanDerWaalsContact O-N 3.13Å; T60-R62 PolarHBondContact O-N 2.93Å; R62-M65 HydrophobicContact CB-CE 4.38Å; R62-M65 PolarHBondContact O-N 3.4Å; R62-R66 WeakPolarHBondContact O-CG 3.47Å; R62-R66 PolarHBondContact O-N 3.43Å |
| 63 | I | 97.7 | Very high | 96.6 | Very high | 101 Ų | 101 | 104.2 Ų | 104.2 | 52% | 0.518 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.1 | -47.4 | 175.4 | -69.6 | 168.7 | 0 | 0 | 0 | 109.8 | M59 T60 M65 R66 F67 | M59-I63 HydrophobicContact CE-CD1 4.35Å; M59-I63 HydrophobicContact CG-CD1 3.71Å; M59-I63 HydrophobicContact CG-CG1 4.37Å; M59-I63 WeakPolarHBondContact O-CG1 3.37Å; M59-I63 PolarHBondContact O-N 2.05Å; M59-I63 HydrophobicContact SD-CD1 4.29Å; T60-I63 PolarHBondContact O-N 3.43Å; I63-M65 VanDerWaalsContact C-N 3.34Å; I63-M65 PolarHBondContact O-N 2.99Å; I63-R66 PolarHBondContact O-N 2.83Å; I63-F67 WeakPolarHBondContact O-CB 3.39Å; I63-F67 PolarHBondContact O-N 3.19Å |
| 64 | S | 96.2 | Very high | 96.4 | Very high | 54 Ų | 54 | 104.6 Ų | 104.6 | 38% | 0.378 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -56.9 | -45.2 | 178.4 | -173.5 | 0 | 0 | 0 | 0 | 112.2 | T60 Q61 R66 F67 Q68 | T60-S64 WeakPolarHBondContact O-CB 3.48Å; T60-S64 PolarHBondContact O-N 3.48Å; Q61-S64 PolarHBondContact O-N 3.36Å; S64-R66 PolarHBondContact O-N 2.79Å; S64-F67 PolarHBondContact O-N 3.3Å; S64-Q68 WeakPolarHBondContact O-CG 3.47Å; S64-Q68 PolarHBondContact O-N 3.48Å |
| 65 | M | 97.1 | Very high | 96 | Very high | 95 Ų | 95 | 104.1 Ų | 104.1 | 47% | 0.468 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -58 | -48.4 | 175.7 | -73.7 | -173 | -72.4 | 0 | 0 | 112.4 | Q61 R62 I63 F67 Q68 E69 | Q61-M65 PolarHBondContact O-N 3.33Å; R62-M65 HydrophobicContact CB-CE 4.38Å; R62-M65 PolarHBondContact O-N 3.4Å; I63-M65 VanDerWaalsContact C-N 3.34Å; I63-M65 PolarHBondContact O-N 2.99Å; M65-F67 VanDerWaalsContact C-N 3.31Å; M65-F67 PolarHBondContact O-N 3.04Å; M65-Q68 PolarHBondContact O-N 2.91Å; M65-E69 WeakPolarHBondContact O-CG 3.32Å; M65-E69 PolarHBondContact O-N 2.84Å |
| 66 | R | 98 | Very high | 95.6 | Very high | 135 Ų | 135 | 102 Ų | 102 | 51% | 0.509 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -67 | -35.5 | -179.5 | -61.1 | -62 | 135.5 | -174.1 | -0.8 | 112.3 | R62 I63 S64 E69 Y70 | R62-R66 WeakPolarHBondContact O-CG 3.47Å; R62-R66 PolarHBondContact O-N 3.43Å; I63-R66 PolarHBondContact O-N 2.83Å; S64-R66 PolarHBondContact O-N 2.79Å; R66-E69 WeakPolarHBondContact CD-OE2 3.44Å; R66-E69 IonicContact CZ-OE1 3.33Å; R66-E69 IonicContact CZ-OE2 2.77Å; R66-E69 IonicContact NE-OE1 3.71Å; R66-E69 IonicContact NE-OE2 3.6Å; R66-E69 IonicContact NH1-OE1 3.1Å; R66-E69 PolarHBondContact NH1-OE1 3.34Å; R66-E69 IonicContact NH1-OE2 2.85Å; R66-E69 PolarHBondContact NH1-OE2 3.39Å; R66-E69 IonicContact NH2-OE1 2.68Å; R66-E69 PolarHBondContact NH2-OE1 3.05Å; R66-E69 PolarHBondContact O-N 3.06Å; R66-Y70 PolarHBondContact O-N 2.96Å |
| 67 | F | 97 | Very high | 95.1 | Very high | 123 Ų | 123 | 102 Ų | 102 | 54% | 0.539 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.3 | -42.9 | 175.7 | -175.6 | -106.9 | 0 | 0 | 0 | 111.8 | I63 S64 M65 Y70 H71 | I63-F67 WeakPolarHBondContact O-CB 3.39Å; I63-F67 PolarHBondContact O-N 3.19Å; S64-F67 PolarHBondContact O-N 3.3Å; M65-F67 VanDerWaalsContact C-N 3.31Å; M65-F67 PolarHBondContact O-N 3.04Å; F67-Y70 PolarHBondContact O-N 2.95Å; F67-H71 AromaticContact CD1-CD2 3.66Å; F67-H71 AromaticContact CE1-CD2 3.3Å; F67-H71 WeakPolarHBondContact CE1-CD2 3.26Å; F67-H71 AromaticContact CE1-NE2 3.26Å; F67-H71 VanDerWaalsContact CE1-NE2 3.26Å; F67-H71 WeakPolarHBondContact CE1-NE2 3.4Å; F67-H71 AromaticContact CE2-CD2 3.82Å; F67-H71 AromaticContact CE2-NE2 3.44Å; F67-H71 WeakPolarHBondContact CE2-NE2 3.42Å; F67-H71 AromaticContact CZ-CD2 3.41Å; F67-H71 VanDerWaalsContact CZ-CD2 3.41Å; F67-H71 WeakPolarHBondContact CZ-CD2 3.45Å; F67-H71 AromaticContact CZ-NE2 2.9Å; F67-H71 WeakPolarHBondContact CZ-NE2 3.31Å; F67-H71 PolarHBondContact O-CD2 2.95Å; F67-H71 PolarHBondContact O-N 3.06Å |
| 68 | Q | 96.1 | Very high | 94.7 | Very high | 114 Ų | 114 | 103 Ų | 103 | 53% | 0.533 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.3 | -45.1 | 174.3 | -72.9 | 175.7 | -8.1 | 0 | 0 | 112 | S64 M65 Y70 H71 I72 | S64-Q68 WeakPolarHBondContact O-CG 3.47Å; S64-Q68 PolarHBondContact O-N 3.48Å; M65-Q68 PolarHBondContact O-N 2.91Å; Q68-Y70 VanDerWaalsContact C-N 3.29Å; Q68-Y70 PolarHBondContact O-N 3.45Å; Q68-H71 PolarHBondContact O-N 3.42Å; Q68-I72 WeakPolarHBondContact O-CG1 3.43Å; Q68-I72 PolarHBondContact O-N 3.01Å |
| 69 | E | 95.3 | Very high | 94.2 | Very high | 74 Ų | 74 | 97.8 Ų | 97.8 | 35% | 0.346 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -54.8 | -46.1 | 174.7 | -73.9 | 170.9 | -171.2 | 0 | 0 | 111.5 | M65 R66 I72 Q73 | M65-E69 WeakPolarHBondContact O-CG 3.32Å; M65-E69 PolarHBondContact O-N 2.84Å; R66-E69 WeakPolarHBondContact CD-OE2 3.44Å; R66-E69 IonicContact CZ-OE1 3.33Å; R66-E69 IonicContact CZ-OE2 2.77Å; R66-E69 IonicContact NE-OE1 3.71Å; R66-E69 IonicContact NE-OE2 3.6Å; R66-E69 IonicContact NH1-OE1 3.1Å; R66-E69 PolarHBondContact NH1-OE1 3.34Å; R66-E69 IonicContact NH1-OE2 2.85Å; R66-E69 PolarHBondContact NH1-OE2 3.39Å; R66-E69 IonicContact NH2-OE1 2.68Å; R66-E69 PolarHBondContact NH2-OE1 3.05Å; R66-E69 PolarHBondContact O-N 3.06Å; E69-I72 PolarHBondContact O-N 3.4Å; E69-Q73 WeakPolarHBondContact O-CG 3.02Å; E69-Q73 PolarHBondContact O-N 3.41Å; E69-Q73 VanDerWaalsContact O-N 3.1Å |
| 70 | Y | 96.2 | Very high | 93.7 | Very high | 144 Ų | 144 | 96.1 Ų | 96.1 | 57% | 0.565 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -62.9 | -44.3 | 178 | -179.2 | -100.2 | 0 | 0 | 0 | 112.6 | R66 F67 Q68 I72 Q73 Q74 | R66-Y70 PolarHBondContact O-N 2.96Å; F67-Y70 PolarHBondContact O-N 2.95Å; Q68-Y70 VanDerWaalsContact C-N 3.29Å; Q68-Y70 PolarHBondContact O-N 3.45Å; Y70-I72 VanDerWaalsContact C-N 3.34Å; Y70-I72 PolarHBondContact O-N 2.81Å; Y70-Q73 PolarHBondContact O-N 3Å; Y70-Q74 PolarHBondContact O-N 3.41Å |
| 71 | H | 93.9 | Very high | 93.2 | Very high | 69 Ų | 69 | 102 Ų | 102 | 32% | 0.319 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.8 | -38.9 | 177 | -91 | -65.4 | 0 | 0 | 0 | 113.1 | F67 Q68 Q74 N75 | F67-H71 AromaticContact CD1-CD2 3.66Å; F67-H71 AromaticContact CE1-CD2 3.3Å; F67-H71 WeakPolarHBondContact CE1-CD2 3.26Å; F67-H71 AromaticContact CE1-NE2 3.26Å; F67-H71 VanDerWaalsContact CE1-NE2 3.26Å; F67-H71 WeakPolarHBondContact CE1-NE2 3.4Å; F67-H71 AromaticContact CE2-CD2 3.82Å; F67-H71 AromaticContact CE2-NE2 3.44Å; F67-H71 WeakPolarHBondContact CE2-NE2 3.42Å; F67-H71 AromaticContact CZ-CD2 3.41Å; F67-H71 VanDerWaalsContact CZ-CD2 3.41Å; F67-H71 WeakPolarHBondContact CZ-CD2 3.45Å; F67-H71 AromaticContact CZ-NE2 2.9Å; F67-H71 WeakPolarHBondContact CZ-NE2 3.31Å; F67-H71 PolarHBondContact O-CD2 2.95Å; F67-H71 PolarHBondContact O-N 3.06Å; Q68-H71 PolarHBondContact O-N 3.42Å; H71-Q74 PolarHBondContact O-N 2.98Å; H71-N75 WeakPolarHBondContact O-CB 3.2Å; H71-N75 VanDerWaalsContact O-CG 3.27Å; H71-N75 PolarHBondContact O-N 3.13Å |
| 72 | I | 94.5 | Very high | 92.7 | Very high | 92 Ų | 92 | 99.1 Ų | 99.1 | 47% | 0.472 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.2 | -48.5 | 176.4 | -68.9 | 165.5 | 0 | 0 | 0 | 110.1 | Q68 E69 Y70 Q74 N75 E76 | Q68-I72 WeakPolarHBondContact O-CG1 3.43Å; Q68-I72 PolarHBondContact O-N 3.01Å; E69-I72 PolarHBondContact O-N 3.4Å; Y70-I72 VanDerWaalsContact C-N 3.34Å; Y70-I72 PolarHBondContact O-N 2.81Å; I72-Q74 VanDerWaalsContact C-N 3.29Å; I72-Q74 PolarHBondContact O-N 3.02Å; I72-N75 PolarHBondContact O-N 3.34Å; I72-N75 VanDerWaalsContact O-N 3.11Å; I72-E76 HydrophobicContact CG2-CG 4.31Å; I72-E76 WeakPolarHBondContact O-CG 3.49Å; I72-E76 PolarHBondContact O-N 2.71Å |
| 73 | Q | 92.9 | Very high | 91.5 | Very high | 121 Ų | 121 | 93.7 Ų | 93.7 | 57% | 0.565 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -58.7 | -41.2 | 178.4 | -70.5 | 173.4 | 19.4 | 0 | 0 | 112.3 | E69 Y70 E76 A77 | E69-Q73 WeakPolarHBondContact O-CG 3.02Å; E69-Q73 PolarHBondContact O-N 3.41Å; E69-Q73 VanDerWaalsContact O-N 3.1Å; Y70-Q73 PolarHBondContact O-N 3Å; Q73-E76 PolarHBondContact O-N 2.98Å; Q73-A77 WeakPolarHBondContact O-CB 3.46Å; Q73-A77 PolarHBondContact O-N 2.98Å |
| 74 | Q | 92.7 | Very high | 90.2 | Very high | 88 Ų | 88 | 95.5 Ų | 95.5 | 41% | 0.411 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.6 | -44.1 | 176.3 | -170.9 | -179.5 | 22.8 | 0 | 0 | 111.4 | Y70 H71 I72 A77 L78 | Y70-Q74 PolarHBondContact O-N 3.41Å; H71-Q74 PolarHBondContact O-N 2.98Å; I72-Q74 VanDerWaalsContact C-N 3.29Å; I72-Q74 PolarHBondContact O-N 3.02Å; Q74-A77 PolarHBondContact O-N 2.91Å; Q74-L78 HydrophobicContact CG-CD1 4.27Å; Q74-L78 VanDerWaalsContact O-CG 3.26Å; Q74-L78 WeakPolarHBondContact O-CG 3.32Å; Q74-L78 PolarHBondContact O-N 3.49Å |
| 75 | N | 90.3 | Very high | 88.5 | Confident | 97 Ų | 97 | 98.2 Ų | 98.2 | 52% | 0.519 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.7 | -40.1 | 178.5 | -73.2 | -10 | 0 | 0 | 0 | 112.3 | H71 I72 L78 A79 | H71-N75 WeakPolarHBondContact O-CB 3.2Å; H71-N75 VanDerWaalsContact O-CG 3.27Å; H71-N75 PolarHBondContact O-N 3.13Å; I72-N75 PolarHBondContact O-N 3.34Å; I72-N75 VanDerWaalsContact O-N 3.11Å; N75-L78 PolarHBondContact O-N 3.06Å; N75-A79 WeakPolarHBondContact O-CB 3.3Å; N75-A79 PolarHBondContact O-N 3.15Å |
| 76 | E | 89.2 | Confident | 86.4 | Confident | 116 Ų | 116 | 96.9 Ų | 96.9 | 54% | 0.542 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.5 | -44.2 | 174.2 | -73.6 | 175.9 | 174.2 | 0 | 0 | 111.4 | I72 Q73 L78 A79 A80 | I72-E76 HydrophobicContact CG2-CG 4.31Å; I72-E76 WeakPolarHBondContact O-CG 3.49Å; I72-E76 PolarHBondContact O-N 2.71Å; Q73-E76 PolarHBondContact O-N 2.98Å; E76-L78 VanDerWaalsContact C-N 3.32Å; E76-L78 PolarHBondContact O-N 2.96Å; E76-A79 PolarHBondContact O-N 3.28Å; E76-A80 WeakPolarHBondContact O-CB 3.26Å; E76-A80 PolarHBondContact O-N 3.37Å |
| 77 | A | 87.8 | Confident | 83.9 | Confident | 54 Ų | 54 | 98.9 Ų | 98.9 | 45% | 0.446 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.3 | -37.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q73 Q74 K81 | Q73-A77 WeakPolarHBondContact O-CB 3.46Å; Q73-A77 PolarHBondContact O-N 2.98Å; Q74-A77 PolarHBondContact O-N 2.91Å; A77-K81 WeakPolarHBondContact O-CG 3.26Å; A77-K81 PolarHBondContact O-N 3.01Å; A77-K81 VanDerWaalsContact O-N 3.12Å |
| 78 | L | 88.3 | Confident | 82 | Confident | 98 Ų | 98 | 98.8 Ų | 98.8 | 51% | 0.513 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -68 | -42.4 | 174.2 | -70.7 | 168.8 | 0 | 0 | 0 | 111.6 | Q74 N75 E76 A80 K81 A82 | Q74-L78 HydrophobicContact CG-CD1 4.27Å; Q74-L78 VanDerWaalsContact O-CG 3.26Å; Q74-L78 WeakPolarHBondContact O-CG 3.32Å; Q74-L78 PolarHBondContact O-N 3.49Å; N75-L78 PolarHBondContact O-N 3.06Å; E76-L78 VanDerWaalsContact C-N 3.32Å; E76-L78 PolarHBondContact O-N 2.96Å; L78-A80 VanDerWaalsContact C-N 3.35Å; L78-A80 PolarHBondContact O-N 3.09Å; L78-K81 PolarHBondContact O-N 2.55Å; L78-A82 WeakPolarHBondContact O-CB 3.49Å; L78-A82 PolarHBondContact O-N 2.91Å |
| 79 | A | 87.9 | Confident | 79.6 | Confident | 29 Ų | 29 | 108.2 Ų | 108.2 | 24% | 0.24 | 58% | 0.578 | C | S | . | * | H | α-helix | trans | -64.7 | -38.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | N75 E76 A82 G83 L84 L85 | N75-A79 WeakPolarHBondContact O-CB 3.3Å; N75-A79 PolarHBondContact O-N 3.15Å; E76-A79 PolarHBondContact O-N 3.28Å; A79-A82 PolarHBondContact O-N 2.59Å; A79-G83 PolarHBondContact O-N 3.16Å; A79-L84 PolarHBondContact O-N 3.46Å; A79-L84 VanDerWaalsContact O-N 3.12Å; A79-L85 HydrophobicContact CB-CG 4.45Å |
| 80 | A | 86.9 | Confident | 78.9 | Confident | 52 Ų | 52 | 110 Ų | 110 | 43% | 0.43 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -60.5 | -48.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | E76 L78 A82 G83 L85 | E76-A80 WeakPolarHBondContact O-CB 3.26Å; E76-A80 PolarHBondContact O-N 3.37Å; L78-A80 VanDerWaalsContact C-N 3.35Å; L78-A80 PolarHBondContact O-N 3.09Å; A80-A82 VanDerWaalsContact C-N 3.28Å; A80-A82 PolarHBondContact O-N 3.11Å; A80-G83 PolarHBondContact O-N 3.18Å; A80-G83 VanDerWaalsContact O-N 3.13Å; A80-L85 HydrophobicContact CB-CD1 3.73Å |
| 81 | K | 84 | Confident | 77.9 | Confident | 184 Ų | 184 | 108.2 Ų | 108.2 | 80% | 0.8 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -65.1 | -30.8 | 177.3 | -74.9 | -176.9 | 179.5 | -174.5 | 0 | 113.2 | A77 L78 G83 | A77-K81 WeakPolarHBondContact O-CG 3.26Å; A77-K81 PolarHBondContact O-N 3.01Å; A77-K81 VanDerWaalsContact O-N 3.12Å; L78-K81 PolarHBondContact O-N 2.55Å; K81-G83 PolarHBondContact O-N 3.02Å |
| 82 | A | 86.2 | Confident | 77.1 | Confident | 67 Ų | 67 | 110.3 Ų | 110.3 | 55% | 0.554 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.3 | -1.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | L78 A79 A80 L84 | L78-A82 WeakPolarHBondContact O-CB 3.49Å; L78-A82 PolarHBondContact O-N 2.91Å; A79-A82 PolarHBondContact O-N 2.59Å; A80-A82 VanDerWaalsContact C-N 3.28Å; A80-A82 PolarHBondContact O-N 3.11Å; A82-L84 HydrophobicContact CB-CD1 3.99Å; A82-L84 HydrophobicContact CB-CG 4.17Å; A82-L84 PolarHBondContact O-N 2.95Å |
| 83 | G | 74.1 | Confident | 76 | Confident | 61 Ų | 61 | 111.4 Ų | 111.4 | 63% | 0.629 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 69.5 | 15.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | A79 A80 K81 | A79-G83 PolarHBondContact O-N 3.16Å; A80-G83 PolarHBondContact O-N 3.18Å; A80-G83 VanDerWaalsContact O-N 3.13Å; K81-G83 PolarHBondContact O-N 3.02Å |
| 84 | L | 69 | Low | 75 | Confident | 139 Ų | 139 | 110.8 Ų | 110.8 | 73% | 0.728 | 62% | 0.617 | S | S | * | * | trans | -84.2 | -18.2 | -179.2 | -69.3 | 168 | 0 | 0 | 0 | 112.7 | A79 A82 G86 | A79-L84 PolarHBondContact O-N 3.46Å; A79-L84 VanDerWaalsContact O-N 3.12Å; A82-L84 HydrophobicContact CB-CD1 3.99Å; A82-L84 HydrophobicContact CB-CG 4.17Å; A82-L84 PolarHBondContact O-N 2.95Å; L84-G86 PolarHBondContact O-N 3.41Å | ||
| 85 | L | 60.5 | Low | 73.8 | Confident | 111 Ų | 111 | 112.3 Ų | 112.3 | 58% | 0.581 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -80.3 | 94.8 | 166.4 | -66.3 | 177.8 | 0 | 0 | 0 | 108 | A79 A80 Q87 | A79-L85 HydrophobicContact CB-CG 4.45Å; A80-L85 HydrophobicContact CB-CD1 3.73Å; L85-Q87 PolarHBondContact O-N 2.96Å |
| 86 | G | 53.4 | Low | 72.6 | Confident | 66 Ų | 66 | 113.4 Ų | 113.4 | 68% | 0.68 | 64% | 0.639 | S | S | * | * | P | Polyproline II helix | trans | -50.2 | 129.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L84 | L84-G86 PolarHBondContact O-N 3.41Š|
| 87 | Q | 46 | Very low | 71.3 | Confident | 177 Ų | 177 | 113.2 Ų | 113.2 | 83% | 0.827 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -47.4 | 123 | 166.3 | -171.4 | 166.7 | 50.6 | 0 | 0 | 109.3 | L85 R89 | L85-Q87 PolarHBondContact O-N 2.96Å; Q87-R89 PolarHBondContact O-N 3.14Å; Q87-R89 VanDerWaalsContact O-N 3.12Å |
| 88 | P | 56.4 | Low | 70 | Confident | 122 Ų | 122 | 118.2 Ų | 118.2 | 79% | 0.792 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -64 | 118.7 | 169.6 | 26.2 | -29.4 | 0 | 0 | 0 | 106.6 | ||
| 89 | R | 47 | Very low | 68.3 | Low | 312 Ų | 312 | 120 Ų | 120 | 100% | 1.177 | 68% | 0.676 | S | S | * | * | trans | -78.9 | 0 | 154.9 | -83.8 | -160.9 | 171.1 | 132.7 | 0.3 | 108.6 | Q87 | Q87-R89 PolarHBondContact O-N 3.14Å; Q87-R89 VanDerWaalsContact O-N 3.12Å |
Retrieved 89 of 89 residues in 357.4 ms
(Link to these results)