| 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 | 39.8 | Very low | 53.7 | Low | 196 Ų | 196 | 118.7 Ų | 118.7 | 97% | 0.966 | 65% | 0.65 | S | S | * | * | 0 | 96.8 | 0 | -74.2 | 158.5 | 140.1 | 0 | 0 | 109 | |||||
| 2 | N | 48.2 | Very low | 54.6 | Low | 147 Ų | 147 | 112.3 Ų | 112.3 | 79% | 0.786 | 63% | 0.631 | S | S | * | * | trans | -110.4 | 113.5 | 165.3 | -74.9 | 8.9 | 0 | 0 | 0 | 106.8 | Y4 | N2-Y4 PolarHBondContact O-N 2.96Š| ||
| 3 | P | 57.4 | Low | 55.7 | Low | 102 Ų | 102 | 112.2 Ų | 112.2 | 66% | 0.662 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.7 | 14.1 | -169.6 | 31.1 | -36.5 | 0 | 0 | 0 | 114.8 | ||
| 4 | Y | 50.9 | Low | 57.3 | Low | 176 Ų | 176 | 112.9 Ų | 112.9 | 69% | 0.69 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.3 | -7.2 | -170.5 | -62.1 | -74.4 | 0 | 0 | 0 | 114.5 | N2 I8 | N2-Y4 PolarHBondContact O-N 2.96Å; Y4-I8 WeakPolarHBondContact O-CD1 3.15Å |
| 5 | G | 57.6 | Low | 58.6 | Low | 51 Ų | 51 | 112.3 Ų | 112.3 | 53% | 0.526 | 62% | 0.618 | S | S | . | * | S | Bend | trans | -78.6 | -29.5 | -170.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 6 | T | 55.4 | Low | 59.2 | Low | 127 Ų | 127 | 111.4 Ų | 111.4 | 78% | 0.779 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -92.6 | -14.2 | -168.7 | 46.2 | 0 | 0 | 0 | 0 | 115 | I8 | T6-I8 VanDerWaalsContact C-N 3.34Š|
| 7 | I | 53.6 | Low | 59.9 | Low | 102 Ų | 102 | 114.1 Ų | 114.1 | 52% | 0.523 | 62% | 0.616 | S | S | . | * | S | Bend | trans | -72.6 | -33.5 | 175.4 | -61.5 | 175.2 | 0 | 0 | 0 | 109.9 | G10 I11 | I7-G10 PolarHBondContact O-N 2.99Å; I7-I11 HydrophobicContact CG2-CD1 3.61Å; I7-I11 HydrophobicContact CG2-CG1 4.07Å; I7-I11 WeakPolarHBondContact O-CB 3.46Å; I7-I11 PolarHBondContact O-N 2.79Å |
| 8 | I | 54.9 | Low | 60.9 | Low | 112 Ų | 112 | 112.6 Ų | 112.6 | 57% | 0.574 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -70.9 | -38.7 | -163.4 | -60.4 | 171.6 | 0 | 0 | 0 | 113.5 | Y4 T6 G10 I11 G12 | Y4-I8 WeakPolarHBondContact O-CD1 3.15Å; T6-I8 VanDerWaalsContact C-N 3.34Å; I8-G10 PolarHBondContact O-N 3.11Å; I8-I11 PolarHBondContact O-N 3.32Å; I8-G12 PolarHBondContact O-N 2.9Å |
| 9 | E | 57.8 | Low | 61.6 | Low | 178 Ų | 178 | 112.4 Ų | 112.4 | 83% | 0.832 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -74.2 | -23.3 | -179.6 | -76 | -177.4 | 137.3 | 0 | 0 | 113.6 | ||
| 10 | G | 57.1 | Low | 62.2 | Low | 42 Ų | 42 | 109.9 Ų | 109.9 | 43% | 0.433 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -86.5 | -25.7 | 169.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | I7 I8 N13 | I7-G10 PolarHBondContact O-N 2.99Å; I8-G10 PolarHBondContact O-N 3.11Å; G10-N13 PolarHBondContact O-OD1 2.86Å |
| 11 | I | 58.5 | Low | 62.8 | Low | 73 Ų | 73 | 107.3 Ų | 107.3 | 37% | 0.374 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -73.3 | -29.1 | 178.1 | -108.9 | 56.9 | 0 | 0 | 0 | 112.5 | I7 I8 N13 E14 L15 | I7-I11 HydrophobicContact CG2-CD1 3.61Å; I7-I11 HydrophobicContact CG2-CG1 4.07Å; I7-I11 WeakPolarHBondContact O-CB 3.46Å; I7-I11 PolarHBondContact O-N 2.79Å; I8-I11 PolarHBondContact O-N 3.32Å; I11-N13 PolarHBondContact O-N 2.9Å; I11-E14 PolarHBondContact O-N 3.47Å; I11-L15 HydrophobicContact CG2-CB 4.29Å; I11-L15 HydrophobicContact CG2-CD2 4.47Å; I11-L15 WeakPolarHBondContact O-CA 3.42Å; I11-L15 WeakPolarHBondContact O-CB 3.49Å; I11-L15 PolarHBondContact O-N 2.96Å |
| 12 | G | 64.4 | Low | 64.7 | Low | 41 Ų | 41 | 103.3 Ų | 103.3 | 42% | 0.423 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -60 | -45 | -167.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | I8 L16 | I8-G12 PolarHBondContact O-N 2.9Å; G12-L16 WeakPolarHBondContact O-CB 3.18Å; G12-L16 PolarHBondContact O-N 3.46Å; G12-L16 VanDerWaalsContact O-N 3.11Å |
| 13 | N | 68.5 | Low | 66 | Low | 111 Ų | 111 | 98 Ų | 98 | 59% | 0.594 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -77.4 | -39 | 178.9 | 59.3 | -40.9 | 0 | 0 | 0 | 112.4 | G10 I11 L16 F17 | G10-N13 PolarHBondContact O-OD1 2.86Å; I11-N13 PolarHBondContact O-N 2.9Å; N13-L16 PolarHBondContact O-N 2.91Å; N13-F17 PolarHBondContact O-N 3.05Å |
| 14 | E | 78.4 | Confident | 66.8 | Low | 122 Ų | 122 | 95.3 Ų | 95.3 | 57% | 0.57 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -65.3 | -43.4 | 175 | -65.2 | -171.2 | 174.4 | 0 | 0 | 111.3 | I11 L16 F17 V18 | I11-E14 PolarHBondContact O-N 3.47Å; E14-L16 VanDerWaalsContact C-N 3.34Å; E14-L16 PolarHBondContact O-N 3.14Å; E14-F17 WeakPolarHBondContact O-CB 3.21Å; E14-F17 PolarHBondContact O-N 3.35Å; E14-V18 WeakPolarHBondContact O-CB 3.5Å; E14-V18 WeakPolarHBondContact O-CG2 3.47Å; E14-V18 PolarHBondContact O-N 2.83Å |
| 15 | L | 77.1 | Confident | 68.2 | Low | 104 Ų | 104 | 91.1 Ų | 91.1 | 55% | 0.545 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.3 | -38.5 | 174.9 | -172.9 | 74.9 | 0 | 0 | 0 | 111.5 | I11 F17 V18 L19 | I11-L15 HydrophobicContact CG2-CB 4.29Å; I11-L15 HydrophobicContact CG2-CD2 4.47Å; I11-L15 WeakPolarHBondContact O-CA 3.42Å; I11-L15 WeakPolarHBondContact O-CB 3.49Å; I11-L15 PolarHBondContact O-N 2.96Å; L15-F17 VanDerWaalsContact C-N 3.35Å; L15-V18 PolarHBondContact O-N 3.15Å; L15-L19 WeakPolarHBondContact O-CB 3.48Å; L15-L19 PolarHBondContact O-N 3.25Å |
| 16 | L | 67.8 | Low | 69.3 | Low | 98 Ų | 98 | 93.5 Ų | 93.5 | 51% | 0.513 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.9 | -42 | 174.3 | -169.9 | 155.2 | 0 | 0 | 0 | 111 | G12 N13 E14 S20 | G12-L16 WeakPolarHBondContact O-CB 3.18Å; G12-L16 PolarHBondContact O-N 3.46Å; G12-L16 VanDerWaalsContact O-N 3.11Å; N13-L16 PolarHBondContact O-N 2.91Å; E14-L16 VanDerWaalsContact C-N 3.34Å; E14-L16 PolarHBondContact O-N 3.14Å; L16-S20 VanDerWaalsContact O-CB 3.29Å; L16-S20 WeakPolarHBondContact O-CB 3.47Å; L16-S20 PolarHBondContact O-N 2.75Å |
| 17 | F | 70.3 | Confident | 70.6 | Confident | 157 Ų | 157 | 89.7 Ų | 89.7 | 69% | 0.689 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -64.8 | -44.1 | 174.8 | -173.5 | -97.9 | 0 | 0 | 0 | 112.1 | N13 E14 L15 S20 C21 | N13-F17 PolarHBondContact O-N 3.05Å; E14-F17 WeakPolarHBondContact O-CB 3.21Å; E14-F17 PolarHBondContact O-N 3.35Å; L15-F17 VanDerWaalsContact C-N 3.35Å; F17-S20 PolarHBondContact O-N 3.4Å; F17-C21 VanDerWaalsContact O-CB 3.29Å; F17-C21 WeakPolarHBondContact O-CB 3.47Å; F17-C21 PolarHBondContact O-N 2.91Å |
| 18 | V | 77.7 | Confident | 71.8 | Confident | 87 Ų | 87 | 90 Ų | 90 | 53% | 0.527 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65 | -41.7 | 176.7 | 170.7 | 0 | 0 | 0 | 0 | 111.3 | E14 L15 C21 M22 | E14-V18 WeakPolarHBondContact O-CB 3.5Å; E14-V18 WeakPolarHBondContact O-CG2 3.47Å; E14-V18 PolarHBondContact O-N 2.83Å; L15-V18 PolarHBondContact O-N 3.15Å; V18-C21 PolarHBondContact O-N 3.22Å; V18-M22 VanDerWaalsContact O-CB 3.3Å; V18-M22 WeakPolarHBondContact O-CB 3.45Å; V18-M22 PolarHBondContact O-N 3.16Å |
| 19 | L | 75.7 | Confident | 73 | Confident | 109 Ų | 109 | 88.8 Ų | 88.8 | 57% | 0.571 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -67.6 | -39.2 | 176.8 | -172.5 | 71.1 | 0 | 0 | 0 | 111.1 | L15 M22 G23 | L15-L19 WeakPolarHBondContact O-CB 3.48Å; L15-L19 PolarHBondContact O-N 3.25Å; L19-M22 HydrophobicContact CD1-CE 3.97Å; L19-G23 PolarHBondContact O-N 3.39Å |
| 20 | S | 72.1 | Confident | 74.2 | Confident | 63 Ų | 63 | 84.1 Ų | 84.1 | 44% | 0.441 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63.3 | -41.7 | 171.9 | -172.4 | 0 | 0 | 0 | 0 | 111.6 | L16 F17 G23 T24 | L16-S20 VanDerWaalsContact O-CB 3.29Å; L16-S20 WeakPolarHBondContact O-CB 3.47Å; L16-S20 PolarHBondContact O-N 2.75Å; F17-S20 PolarHBondContact O-N 3.4Å; S20-G23 PolarHBondContact O-N 2.79Å; S20-T24 WeakPolarHBondContact O-CG2 3.49Å; S20-T24 PolarHBondContact O-N 2.92Å; S20-T24 PolarHBondContact O-OG1 3.34Å |
| 21 | C | 74.8 | Confident | 75.1 | Confident | 56 Ų | 56 | 83 Ų | 83 | 38% | 0.378 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -68.3 | -42.9 | 177.3 | -171.6 | 0 | 0 | 0 | 0 | 112 | F17 V18 G23 T24 I25 | F17-C21 VanDerWaalsContact O-CB 3.29Å; F17-C21 WeakPolarHBondContact O-CB 3.47Å; F17-C21 PolarHBondContact O-N 2.91Å; V18-C21 PolarHBondContact O-N 3.22Å; C21-G23 VanDerWaalsContact C-N 3.3Å; C21-G23 PolarHBondContact O-N 2.89Å; C21-T24 PolarHBondContact O-N 2.83Å; C21-T24 PolarHBondContact O-OG1 3.03Å; C21-I25 WeakPolarHBondContact O-CB 3.26Å; C21-I25 VanDerWaalsContact O-CG1 3.24Å; C21-I25 WeakPolarHBondContact O-CG1 3.4Å; C21-I25 PolarHBondContact O-N 3.17Å |
| 22 | M | 79.7 | Confident | 76.1 | Confident | 111 Ų | 111 | 88 Ų | 88 | 55% | 0.547 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.8 | -38.2 | 173.7 | -169.1 | -165.1 | 78.5 | 0 | 0 | 111 | V18 L19 I25 L26 | V18-M22 VanDerWaalsContact O-CB 3.3Å; V18-M22 WeakPolarHBondContact O-CB 3.45Å; V18-M22 PolarHBondContact O-N 3.16Å; L19-M22 HydrophobicContact CD1-CE 3.97Å; M22-I25 PolarHBondContact O-N 2.92Å; M22-L26 VanDerWaalsContact O-CB 3.23Å; M22-L26 WeakPolarHBondContact O-CB 3.48Å; M22-L26 PolarHBondContact O-N 3.33Å |
| 23 | G | 77.3 | Confident | 76.7 | Confident | 36 Ų | 36 | 90.9 Ų | 90.9 | 37% | 0.371 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.9 | -44.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | L19 S20 C21 F27 | L19-G23 PolarHBondContact O-N 3.39Å; S20-G23 PolarHBondContact O-N 2.79Å; C21-G23 VanDerWaalsContact C-N 3.3Å; C21-G23 PolarHBondContact O-N 2.89Å; G23-F27 VanDerWaalsContact O-CB 3.25Å; G23-F27 WeakPolarHBondContact O-CB 3.36Å; G23-F27 PolarHBondContact O-N 2.85Å |
| 24 | T | 74.4 | Confident | 77 | Confident | 46 Ų | 46 | 89.2 Ų | 89.2 | 28% | 0.282 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -69.7 | -37.3 | 175.6 | 55.2 | 0 | 0 | 0 | 0 | 112.4 | S20 C21 F27 L28 L285 | S20-T24 WeakPolarHBondContact O-CG2 3.49Å; S20-T24 PolarHBondContact O-N 2.92Å; S20-T24 PolarHBondContact O-OG1 3.34Å; C21-T24 PolarHBondContact O-N 2.83Å; C21-T24 PolarHBondContact O-OG1 3.03Å; T24-F27 PolarHBondContact O-N 2.87Å; T24-L28 WeakPolarHBondContact O-CB 3.26Å; T24-L28 VanDerWaalsContact O-CG 3.3Å; T24-L28 WeakPolarHBondContact O-CG 3.16Å; T24-L28 PolarHBondContact O-N 3.08Å; T24-L285 HydrophobicContact CG2-CD2 3.94Å |
| 25 | I | 79.1 | Confident | 76.5 | Confident | 88 Ų | 88 | 87.3 Ų | 87.3 | 45% | 0.451 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.5 | -46.6 | 173.8 | -69.4 | 165.3 | 0 | 0 | 0 | 110.9 | C21 M22 F27 L28 I29 | C21-I25 WeakPolarHBondContact O-CB 3.26Å; C21-I25 VanDerWaalsContact O-CG1 3.24Å; C21-I25 WeakPolarHBondContact O-CG1 3.4Å; C21-I25 PolarHBondContact O-N 3.17Å; M22-I25 PolarHBondContact O-N 2.92Å; I25-F27 VanDerWaalsContact C-N 3.29Å; I25-F27 PolarHBondContact O-N 2.74Å; I25-L28 PolarHBondContact O-N 3.27Å; I25-I29 HydrophobicContact CG2-CD1 3.83Å; I25-I29 HydrophobicContact CG2-CG1 4.46Å; I25-I29 VanDerWaalsContact O-CG1 3.32Å; I25-I29 WeakPolarHBondContact O-CG1 3.38Å; I25-I29 PolarHBondContact O-N 3.21Å |
| 26 | L | 82 | Confident | 75.6 | Confident | 101 Ų | 101 | 91 Ų | 91 | 53% | 0.529 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.6 | -41.6 | 176.1 | -178.5 | 64.5 | 0 | 0 | 0 | 111 | M22 I29 V30 | M22-L26 VanDerWaalsContact O-CB 3.23Å; M22-L26 WeakPolarHBondContact O-CB 3.48Å; M22-L26 PolarHBondContact O-N 3.33Å; L26-I29 PolarHBondContact O-N 3.15Å; L26-V30 WeakPolarHBondContact O-CB 3.21Å; L26-V30 WeakPolarHBondContact O-CG2 3.29Å; L26-V30 PolarHBondContact O-N 3.5Å |
| 27 | F | 80.9 | Confident | 74.9 | Confident | 47 Ų | 47 | 90.1 Ų | 90.1 | 21% | 0.206 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -63.1 | -40.9 | 174.9 | -172.7 | -106 | 0 | 0 | 0 | 112.6 | G23 T24 I25 V30 A31 L285 F289 | G23-F27 VanDerWaalsContact O-CB 3.25Å; G23-F27 WeakPolarHBondContact O-CB 3.36Å; G23-F27 PolarHBondContact O-N 2.85Å; T24-F27 PolarHBondContact O-N 2.87Å; I25-F27 VanDerWaalsContact C-N 3.29Å; I25-F27 PolarHBondContact O-N 2.74Å; F27-V30 PolarHBondContact O-N 3.2Å; F27-A31 VanDerWaalsContact O-CB 3.26Å; F27-A31 WeakPolarHBondContact O-CB 3.21Å; F27-A31 PolarHBondContact O-N 3.47Å; F27-L285 HydrophobicContact CD1-CD2 4.15Å; F27-L285 HydrophobicContact CD1-CG 4.27Å; F27-L285 HydrophobicContact CE1-CD1 4.46Å; F27-L285 HydrophobicContact CE1-CD2 4.37Å; F27-L285 HydrophobicContact CE1-CG 4Å; F27-F289 HydrophobicContact CE1-CB 3.76Å; F27-F289 AromaticContact CE1-CD2 3.97Å; F27-F289 HydrophobicContact CE1-CD2 3.97Å; F27-F289 AromaticContact CE1-CG 3.98Å; F27-F289 HydrophobicContact CE1-CG 3.98Å; F27-F289 HydrophobicContact CE2-CD1 4.24Å; F27-F289 HydrophobicContact CE2-CD2 4.24Å; F27-F289 HydrophobicContact CE2-CE1 4.48Å; F27-F289 HydrophobicContact CE2-CE2 4.49Å; F27-F289 HydrophobicContact CE2-CG 4.11Å; F27-F289 HydrophobicContact CZ-CB 3.39Å; F27-F289 AromaticContact CZ-CD1 3.81Å; F27-F289 HydrophobicContact CZ-CD1 3.81Å; F27-F289 AromaticContact CZ-CD2 3.6Å; F27-F289 HydrophobicContact CZ-CD2 3.6Å; F27-F289 HydrophobicContact CZ-CE1 4.45Å; F27-F289 HydrophobicContact CZ-CE2 4.27Å; F27-F289 AromaticContact CZ-CG 3.32Å; F27-F289 HydrophobicContact CZ-CG 3.32Å |
| 28 | L | 78.7 | Confident | 74.1 | Confident | 108 Ų | 108 | 89.4 Ų | 89.4 | 57% | 0.565 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -65.4 | -38.4 | 173.3 | -74.1 | 170.3 | 0 | 0 | 0 | 112.2 | T24 I25 A31 W32 | T24-L28 WeakPolarHBondContact O-CB 3.26Å; T24-L28 VanDerWaalsContact O-CG 3.3Å; T24-L28 WeakPolarHBondContact O-CG 3.16Å; T24-L28 PolarHBondContact O-N 3.08Å; I25-L28 PolarHBondContact O-N 3.27Å; L28-A31 PolarHBondContact O-N 3.49Å; L28-W32 VanDerWaalsContact O-CB 3.31Å; L28-W32 WeakPolarHBondContact O-CB 3.41Å; L28-W32 PolarHBondContact O-N 2.9Å |
| 29 | I | 81.7 | Confident | 72.8 | Confident | 87 Ų | 87 | 95.4 Ų | 95.4 | 45% | 0.446 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.4 | -46.4 | 174.4 | -68.2 | 165.3 | 0 | 0 | 0 | 110.2 | I25 L26 A31 W32 V33 | I25-I29 HydrophobicContact CG2-CD1 3.83Å; I25-I29 HydrophobicContact CG2-CG1 4.46Å; I25-I29 VanDerWaalsContact O-CG1 3.32Å; I25-I29 WeakPolarHBondContact O-CG1 3.38Å; I25-I29 PolarHBondContact O-N 3.21Å; L26-I29 PolarHBondContact O-N 3.15Å; I29-A31 VanDerWaalsContact C-N 3.35Å; I29-A31 PolarHBondContact O-N 2.93Å; I29-W32 PolarHBondContact O-N 3.41Å; I29-V33 HydrophobicContact CG2-CG2 4.41Å; I29-V33 WeakPolarHBondContact O-CB 3.24Å; I29-V33 WeakPolarHBondContact O-CG2 3.09Å; I29-V33 PolarHBondContact O-N 3.36Å |
| 30 | V | 81.9 | Confident | 71.8 | Confident | 80 Ų | 80 | 97.2 Ų | 97.2 | 49% | 0.485 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.6 | -41.5 | 176.2 | 170.1 | 0 | 0 | 0 | 0 | 111.1 | L26 F27 V33 S34 | L26-V30 WeakPolarHBondContact O-CB 3.21Å; L26-V30 WeakPolarHBondContact O-CG2 3.29Å; L26-V30 PolarHBondContact O-N 3.5Å; F27-V30 PolarHBondContact O-N 3.2Å; V30-V33 PolarHBondContact O-N 3.03Å; V30-S34 VanDerWaalsContact O-CB 3.24Å; V30-S34 WeakPolarHBondContact O-CB 3.45Å; V30-S34 PolarHBondContact O-N 2.85Å |
| 31 | A | 76.7 | Confident | 70.5 | Confident | 19 Ų | 19 | 100.2 Ų | 100.2 | 16% | 0.157 | 52% | 0.515 | C | S | . | . | H | α-helix | trans | -63.2 | -40.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | F27 L28 I29 S34 T35 F289 | F27-A31 VanDerWaalsContact O-CB 3.26Å; F27-A31 WeakPolarHBondContact O-CB 3.21Å; F27-A31 PolarHBondContact O-N 3.47Å; L28-A31 PolarHBondContact O-N 3.49Å; I29-A31 VanDerWaalsContact C-N 3.35Å; I29-A31 PolarHBondContact O-N 2.93Å; A31-S34 CarbonylContact O-C 3.59Å; A31-S34 PolarHBondContact O-N 3.42Å; A31-T35 VanDerWaalsContact O-CB 3.3Å; A31-T35 WeakPolarHBondContact O-CB 3.17Å; A31-T35 PolarHBondContact O-N 3.06Å; A31-T35 PolarHBondContact O-OG1 3.1Å; A31-F289 HydrophobicContact CB-CD2 4.19Å; A31-F289 HydrophobicContact CB-CE2 3.97Å |
| 32 | W | 78 | Confident | 69.3 | Low | 176 Ų | 176 | 105.8 Ų | 105.8 | 67% | 0.667 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -68.4 | -42.2 | 177.5 | -166.4 | 6.1 | 0 | 0 | 0 | 111.9 | L28 I29 T35 R36 | L28-W32 VanDerWaalsContact O-CB 3.31Å; L28-W32 WeakPolarHBondContact O-CB 3.41Å; L28-W32 PolarHBondContact O-N 2.9Å; I29-W32 PolarHBondContact O-N 3.41Å; W32-T35 CarbonylContact O-C 3.59Å; W32-T35 PolarHBondContact O-N 3.44Å; W32-T35 VanDerWaalsContact O-N 3.14Å; W32-R36 PolarHBondContact O-N 3.01Å |
| 33 | V | 78.9 | Confident | 68.2 | Low | 103 Ų | 103 | 104.2 Ų | 104.2 | 62% | 0.624 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -61.9 | -44.6 | 172.4 | 171.1 | 0 | 0 | 0 | 0 | 110.6 | I29 V30 T35 R36 | I29-V33 HydrophobicContact CG2-CG2 4.41Å; I29-V33 WeakPolarHBondContact O-CB 3.24Å; I29-V33 WeakPolarHBondContact O-CG2 3.09Å; I29-V33 PolarHBondContact O-N 3.36Å; V30-V33 PolarHBondContact O-N 3.03Å; V33-T35 PolarHBondContact O-N 3.19Å; V33-R36 WeakPolarHBondContact O-CB 3.32Å; V33-R36 PolarHBondContact O-N 3.19Å; V33-R36 VanDerWaalsContact O-N 3.08Å |
| 34 | S | 73.9 | Confident | 67 | Low | 76 Ų | 76 | 108.7 Ų | 108.7 | 53% | 0.531 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -66.4 | -22.1 | 174.8 | -170.2 | 0 | 0 | 0 | 0 | 113.4 | V30 A31 | V30-S34 VanDerWaalsContact O-CB 3.24Å; V30-S34 WeakPolarHBondContact O-CB 3.45Å; V30-S34 PolarHBondContact O-N 2.85Å; A31-S34 CarbonylContact O-C 3.59Å; A31-S34 PolarHBondContact O-N 3.42Å |
| 35 | T | 68.2 | Low | 65.5 | Low | 81 Ų | 81 | 116.4 Ų | 116.4 | 50% | 0.497 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -92.7 | -5.4 | 175 | -49.4 | 0 | 0 | 0 | 0 | 111.9 | A31 W32 V33 V37 | A31-T35 VanDerWaalsContact O-CB 3.3Å; A31-T35 WeakPolarHBondContact O-CB 3.17Å; A31-T35 PolarHBondContact O-N 3.06Å; A31-T35 PolarHBondContact O-OG1 3.1Å; W32-T35 CarbonylContact O-C 3.59Å; W32-T35 PolarHBondContact O-N 3.44Å; W32-T35 VanDerWaalsContact O-N 3.14Å; V33-T35 PolarHBondContact O-N 3.19Å; T35-V37 WeakPolarHBondContact O-CG2 3.2Å; T35-V37 PolarHBondContact O-N 3.5Å |
| 36 | R | 57.8 | Low | 64.5 | Low | 181 Ų | 181 | 119.3 Ų | 119.3 | 68% | 0.683 | 59% | 0.594 | S | S | * | * | trans | -77.3 | 50.6 | 161.3 | -69 | -153 | 179.9 | -119.5 | 4.1 | 111.2 | W32 V33 N38 | W32-R36 PolarHBondContact O-N 3.01Å; V33-R36 WeakPolarHBondContact O-CB 3.32Å; V33-R36 PolarHBondContact O-N 3.19Å; V33-R36 VanDerWaalsContact O-N 3.08Å; R36-N38 PolarHBondContact O-N 2.82Å | ||
| 37 | V | 53.7 | Low | 63.1 | Low | 80 Ų | 80 | 120.3 Ų | 120.3 | 49% | 0.485 | 61% | 0.605 | S | S | . | * | trans | -56.5 | 120.7 | 151.6 | -120.5 | 0 | 0 | 0 | 0 | 106.3 | T35 W39 | T35-V37 WeakPolarHBondContact O-CG2 3.2Å; T35-V37 PolarHBondContact O-N 3.5Å; V37-W39 HydrophobicContact CB-CZ2 4.27Å; V37-W39 HydrophobicContact CG2-CH2 4.26Å; V37-W39 HydrophobicContact CG2-CZ2 3.54Å; V37-W39 PolarHBondContact O-N 3.07Å; V37-W39 PolarHBondContact O-NE1 2.88Å | ||
| 38 | N | 53.2 | Low | 61.6 | Low | 143 Ų | 143 | 125.2 Ų | 125.2 | 77% | 0.765 | 63% | 0.633 | S | S | * | * | trans | -65.6 | 103.5 | 168 | -86.1 | -1.5 | 0 | 0 | 0 | 107.2 | R36 E40 | R36-N38 PolarHBondContact O-N 2.82Å; N38-E40 HydrophobicContact CB-CG 4.27Å; N38-E40 PolarHBondContact O-N 3.34Å | ||
| 39 | W | 50.2 | Low | 60 | Low | 212 Ų | 212 | 127.7 Ų | 127.7 | 80% | 0.803 | 65% | 0.645 | S | S | * | * | trans | -75.2 | 47.7 | 172.9 | -53.5 | 93.2 | 0 | 0 | 0 | 110.9 | V37 L41 | V37-W39 HydrophobicContact CB-CZ2 4.27Å; V37-W39 HydrophobicContact CG2-CH2 4.26Å; V37-W39 HydrophobicContact CG2-CZ2 3.54Å; V37-W39 PolarHBondContact O-N 3.07Å; V37-W39 PolarHBondContact O-NE1 2.88Å; W39-L41 VanDerWaalsContact C-N 3.3Å; W39-L41 PolarHBondContact O-N 3.2Å | ||
| 40 | E | 55.3 | Low | 58.2 | Low | 147 Ų | 147 | 133.7 Ų | 133.7 | 69% | 0.687 | 66% | 0.663 | S | S | * | * | trans | -73.1 | 85.8 | 172.1 | -76.4 | -64.2 | 149.7 | 0 | 0 | 109.1 | N38 | N38-E40 HydrophobicContact CB-CG 4.27Å; N38-E40 PolarHBondContact O-N 3.34Å | ||
| 41 | L | 43.9 | Very low | 56.6 | Low | 126 Ų | 126 | 137.7 Ų | 137.7 | 66% | 0.66 | 68% | 0.676 | S | S | * | * | trans | 38.9 | 90.3 | 155.5 | -67.7 | 89.5 | 0 | 0 | 0 | 117.5 | W39 P43 | W39-L41 VanDerWaalsContact C-N 3.3Å; W39-L41 PolarHBondContact O-N 3.2Å; L41-P43 VanDerWaalsContact C-CD 3.46Å; L41-P43 VanDerWaalsContact O-CD 3.25Å; L41-P43 WeakPolarHBondContact O-CD 3.45Å | ||
| 42 | M | 50.6 | Low | 55 | Low | 174 Ų | 174 | 143.8 Ų | 143.8 | 86% | 0.857 | 71% | 0.705 | S | S | * | * | trans | -101.5 | 88.3 | 145.1 | -81.8 | -77.2 | 103.8 | 0 | 0 | 109.5 | V44 | M42-V44 PolarHBondContact O-N 2.81Š| ||
| 43 | P | 55.6 | Low | 53.4 | Low | 78 Ų | 78 | 141.8 Ų | 141.8 | 51% | 0.506 | 70% | 0.703 | S | S | . | * | trans | -68.9 | 115.2 | 170 | 28.7 | -31.8 | 0 | 0 | 0 | 108.4 | L41 R45 | L41-P43 VanDerWaalsContact C-CD 3.46Å; L41-P43 VanDerWaalsContact O-CD 3.25Å; L41-P43 WeakPolarHBondContact O-CD 3.45Å; P43-R45 VanDerWaalsContact C-N 3.3Å; P43-R45 PolarHBondContact O-N 3.1Å | ||
| 44 | V | 52.9 | Low | 51.4 | Low | 129 Ų | 129 | 142 Ų | 142 | 78% | 0.782 | 71% | 0.708 | S | S | * | * | trans | -65.9 | 91.4 | 174 | -177.5 | 0 | 0 | 0 | 0 | 108.7 | M42 I46 | M42-V44 PolarHBondContact O-N 2.81Å; V44-I46 VanDerWaalsContact C-N 3.32Å; V44-I46 HydrophobicContact CG1-CG1 3.89Å; V44-I46 PolarHBondContact O-N 3.02Å | ||
| 45 | R | 41.9 | Very low | 49.9 | Very low | 209 Ų | 209 | 144.6 Ų | 144.6 | 79% | 0.789 | 72% | 0.717 | S | S | * | * | trans | -72.6 | 87.7 | 170.7 | -62.3 | -74.4 | -167.4 | -175.2 | 1.5 | 107.8 | P43 T47 | P43-R45 VanDerWaalsContact C-N 3.3Å; P43-R45 PolarHBondContact O-N 3.1Å; R45-T47 PolarHBondContact O-N 2.88Å | ||
| 46 | I | 57.9 | Low | 48.8 | Very low | 148 Ų | 148 | 148 Ų | 148 | 76% | 0.759 | 73% | 0.727 | S | S | * | * | trans | -67 | 90 | 168.2 | -54.5 | 179.8 | 0 | 0 | 0 | 107.4 | V44 L48 | V44-I46 VanDerWaalsContact C-N 3.32Å; V44-I46 HydrophobicContact CG1-CG1 3.89Å; V44-I46 PolarHBondContact O-N 3.02Å; I46-L48 PolarHBondContact O-N 3.43Å | ||
| 47 | T | 53.4 | Low | 48.2 | Very low | 123 Ų | 123 | 145.7 Ų | 145.7 | 76% | 0.755 | 73% | 0.728 | S | S | * | * | trans | -75.5 | 92.4 | 172.3 | 29.6 | 0 | 0 | 0 | 0 | 108.1 | R45 L49 | R45-T47 PolarHBondContact O-N 2.88Å; T47-L49 VanDerWaalsContact C-N 3.35Å; T47-L49 PolarHBondContact O-N 2.99Å | ||
| 48 | L | 49.5 | Very low | 48 | Very low | 149 Ų | 149 | 148.1 Ų | 148.1 | 78% | 0.78 | 74% | 0.743 | S | S | * | * | trans | -69.2 | 93.4 | 174.4 | -156.6 | 175.3 | 0 | 0 | 0 | 108.5 | I46 R50 | I46-L48 PolarHBondContact O-N 3.43Å; L48-R50 PolarHBondContact O-N 3.08Å | ||
| 49 | L | 44.6 | Very low | 47.4 | Very low | 160 Ų | 160 | 145 Ų | 145 | 84% | 0.838 | 74% | 0.744 | S | S | * | * | trans | -65.4 | 96.5 | 174.3 | -97.8 | 169.4 | 0 | 0 | 0 | 109.8 | T47 H51 | T47-L49 VanDerWaalsContact C-N 3.35Å; T47-L49 PolarHBondContact O-N 2.99Å; L49-H51 VanDerWaalsContact C-N 3.34Å; L49-H51 PolarHBondContact O-N 3.28Å | ||
| 50 | R | 44.3 | Very low | 47.2 | Very low | 214 Ų | 214 | 139.3 Ų | 139.3 | 81% | 0.808 | 74% | 0.743 | S | S | * | * | trans | -71.4 | 92.2 | 167.7 | -179.1 | 175.7 | -73.5 | 169.1 | -3.5 | 108.9 | L48 L52 | L48-R50 PolarHBondContact O-N 3.08Å; R50-L52 VanDerWaalsContact C-N 3.34Å; R50-L52 PolarHBondContact O-N 3.47Å | ||
| 51 | H | 47.3 | Very low | 46.8 | Very low | 163 Ų | 163 | 140.7 Ų | 140.7 | 76% | 0.755 | 75% | 0.749 | S | S | * | * | trans | -74 | 84.5 | 174.5 | -160.7 | -67.8 | 0 | 0 | 0 | 109.9 | L49 H53 | L49-H51 VanDerWaalsContact C-N 3.34Å; L49-H51 PolarHBondContact O-N 3.28Å; H51-H53 PolarHBondContact O-N 2.76Å; H51-H53 VanDerWaalsContact O-N 3.14Å | ||
| 52 | L | 43.9 | Very low | 47 | Very low | 147 Ų | 147 | 139.9 Ų | 139.9 | 77% | 0.77 | 75% | 0.749 | S | S | * | * | trans | -77.1 | 101.9 | 176.9 | -144.4 | 169.5 | 0 | 0 | 0 | 108.7 | R50 S54 | R50-L52 VanDerWaalsContact C-N 3.34Å; R50-L52 PolarHBondContact O-N 3.47Å; L52-S54 PolarHBondContact O-N 3.47Å | ||
| 53 | H | 44.8 | Very low | 46.7 | Very low | 134 Ų | 134 | 136.8 Ų | 136.8 | 62% | 0.62 | 74% | 0.74 | S | S | * | * | trans | -66.7 | 125.8 | -176.9 | -150.7 | 113.2 | 0 | 0 | 0 | 110.1 | H51 | H51-H53 PolarHBondContact O-N 2.76Å; H51-H53 VanDerWaalsContact O-N 3.14Å | ||
| 54 | S | 37 | Very low | 46 | Very low | 107 Ų | 107 | 140.2 Ų | 140.2 | 75% | 0.748 | 76% | 0.755 | S | S | * | * | trans | -98 | 115.9 | 176 | -174.6 | 0 | 0 | 0 | 0 | 109.6 | L52 | L52-S54 PolarHBondContact O-N 3.47Š| ||
| 55 | N | 42.4 | Very low | 45.6 | Very low | 132 Ų | 132 | 138.7 Ų | 138.7 | 71% | 0.706 | 76% | 0.755 | S | S | * | * | trans | -137.6 | 109.4 | 157.3 | -72.3 | -39.8 | 0 | 0 | 0 | 103.2 | ||||
| 56 | H | 45.8 | Very low | 45.5 | Very low | 152 Ų | 152 | 135.1 Ų | 135.1 | 70% | 0.704 | 76% | 0.76 | S | S | * | * | 52.7 | 85.1 | 67.2 | -154 | -65.8 | 0 | 0 | 0 | 112 | |||||
| 57 | D | 44.2 | Very low | 44.7 | Very low | 133 Ų | 133 | 131.4 Ų | 131.4 | 71% | 0.711 | 76% | 0.757 | S | S | * | * | -166.7 | 116.6 | 114.9 | -100.9 | -39.9 | 0 | 0 | 0 | 114.1 | |||||
| 58 | T | 49.5 | Very low | 44.1 | Very low | 130 Ų | 130 | 131.8 Ų | 131.8 | 80% | 0.798 | 76% | 0.76 | S | S | * | * | 49.2 | 101.8 | 127.9 | -44.2 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 59 | G | 41.1 | Very low | 44 | Very low | 77 Ų | 77 | 130.5 Ų | 130.5 | 79% | 0.794 | 76% | 0.758 | S | S | * | * | trans | 178.4 | 130 | 162.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 60 | A | 46.5 | Very low | 44.1 | Very low | 93 Ų | 93 | 131.7 Ų | 131.7 | 77% | 0.769 | 76% | 0.759 | S | S | * | * | trans | -54.9 | 163.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 61 | E | 46 | Very low | 44.2 | Very low | 176 Ų | 176 | 126.3 Ų | 126.3 | 82% | 0.822 | 75% | 0.752 | S | S | * | * | cis | -158.6 | 172.6 | 23.2 | -156 | 160.8 | 104 | 0 | 0 | 111.5 | ||||
| 62 | T | 48.2 | Very low | 43.9 | Very low | 109 Ų | 109 | 125.3 Ų | 125.3 | 67% | 0.669 | 75% | 0.752 | S | S | * | * | trans | -26.6 | 126.4 | -178.2 | 53.4 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 63 | T | 44.1 | Very low | 43.9 | Very low | 109 Ų | 109 | 123.6 Ų | 123.6 | 67% | 0.669 | 74% | 0.744 | S | S | * | * | 60.3 | 97 | 114.9 | -38.4 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 64 | N | 40.3 | Very low | 44.1 | Very low | 151 Ų | 151 | 124 Ų | 124 | 81% | 0.807 | 75% | 0.749 | S | S | * | * | 165 | 124.8 | 112.8 | -89.6 | -51.1 | 0 | 0 | 0 | 115.8 | |||||
| 65 | A | 44.5 | Very low | 44.4 | Very low | 96 Ų | 96 | 125.6 Ų | 125.6 | 79% | 0.793 | 75% | 0.749 | S | S | * | * | trans | 55.9 | 148.9 | 147.1 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 66 | P | 39.8 | Very low | 44.5 | Very low | 135 Ų | 135 | 123.4 Ų | 123.4 | 88% | 0.877 | 74% | 0.744 | S | S | * | * | trans | -125.4 | 163.5 | -158.7 | 40.2 | -23.6 | 0 | 0 | 0 | 117.7 | ||||
| 67 | G | 42.2 | Very low | 44.6 | Very low | 69 Ų | 69 | 121.8 Ų | 121.8 | 71% | 0.711 | 75% | 0.75 | S | S | * | * | trans | 146.5 | 152.1 | 171 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 68 | T | 40.4 | Very low | 44.5 | Very low | 131 Ų | 131 | 119.2 Ų | 119.2 | 80% | 0.804 | 76% | 0.755 | S | S | * | * | cis | -167.3 | 162.3 | -4.9 | -49.5 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 69 | V | 47.8 | Very low | 44.1 | Very low | 123 Ų | 123 | 120.1 Ų | 120.1 | 75% | 0.745 | 76% | 0.755 | S | S | * | * | trans | 73.6 | 107.1 | 165.6 | -167.3 | 0 | 0 | 0 | 0 | 115 | ||||
| 70 | E | 47.2 | Very low | 44.3 | Very low | 185 Ų | 185 | 122.8 Ų | 122.8 | 86% | 0.864 | 75% | 0.75 | S | S | * | * | 80 | 158.9 | 88.8 | -103 | -150.6 | 95 | 0 | 0 | 114.7 | |||||
| 71 | P | 46.1 | Very low | 44.1 | Very low | 101 Ų | 101 | 127.8 Ų | 127.8 | 66% | 0.656 | 75% | 0.754 | S | S | * | * | trans | -122.2 | 174.3 | -141.4 | 38 | -21.4 | 0 | 0 | 0 | 114.9 | ||||
| 72 | D | 41.1 | Very low | 43.9 | Very low | 142 Ų | 142 | 122.6 Ų | 122.6 | 76% | 0.759 | 74% | 0.741 | S | S | * | * | trans | -168.6 | 148.8 | 146.6 | -118.5 | -15.3 | 0 | 0 | 0 | 117 | ||||
| 73 | N | 42.6 | Very low | 43.6 | Very low | 111 Ų | 111 | 126 Ų | 126 | 59% | 0.594 | 75% | 0.75 | S | S | * | * | trans | 63.7 | 123.3 | 143.2 | -73.4 | -36 | 0 | 0 | 0 | 126.4 | ||||
| 74 | I | 49 | Very low | 43.3 | Very low | 143 Ų | 143 | 126.3 Ų | 126.3 | 73% | 0.733 | 76% | 0.756 | S | S | * | * | 61.5 | 129.3 | 119.1 | -60.5 | 169.2 | 0 | 0 | 0 | 117.2 | |||||
| 75 | D | 43.5 | Very low | 43.3 | Very low | 139 Ų | 139 | 125.5 Ų | 125.5 | 74% | 0.743 | 76% | 0.763 | S | S | * | * | cis | -162.1 | 173.6 | 42.7 | -158.5 | 15.6 | 0 | 0 | 0 | 116.4 | ||||
| 76 | S | 45.3 | Very low | 43.2 | Very low | 86 Ų | 86 | 124.6 Ų | 124.6 | 60% | 0.601 | 76% | 0.762 | S | S | * | * | trans | 93 | 91.4 | 140.9 | -92.4 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 77 | S | 47.6 | Very low | 43.3 | Very low | 118 Ų | 118 | 123.9 Ų | 123.9 | 83% | 0.825 | 76% | 0.761 | S | S | * | * | 67.5 | 119.8 | 112 | -55.6 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 78 | G | 41.8 | Very low | 43.3 | Very low | 79 Ų | 79 | 125.8 Ų | 125.8 | 81% | 0.814 | 76% | 0.763 | S | S | * | * | trans | 169.7 | 74.9 | 163.9 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 79 | N | 40.4 | Very low | 43.4 | Very low | 149 Ų | 149 | 123.2 Ų | 123.2 | 80% | 0.797 | 75% | 0.751 | S | S | * | * | trans | -57.8 | 166.2 | 170.3 | -79.4 | -3.2 | 0 | 0 | 0 | 114.7 | ||||
| 80 | I | 45.4 | Very low | 43.6 | Very low | 134 Ų | 134 | 124.9 Ų | 124.9 | 69% | 0.687 | 75% | 0.75 | S | S | * | * | cis | -170.6 | 153.4 | -11.2 | -105.2 | 169.3 | 0 | 0 | 0 | 109.3 | ||||
| 81 | F | 41.9 | Very low | 43.4 | Very low | 197 Ų | 197 | 123 Ų | 123 | 86% | 0.864 | 75% | 0.746 | S | S | * | * | trans | 84.7 | 134 | 155 | -119.4 | -128.5 | 0 | 0 | 0 | 126.3 | ||||
| 82 | A | 42.1 | Very low | 43.3 | Very low | 67 Ų | 67 | 125.8 Ų | 125.8 | 55% | 0.554 | 75% | 0.75 | S | S | * | * | trans | 68.8 | 95.1 | 139.1 | 0 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 83 | E | 41.6 | Very low | 43.6 | Very low | 180 Ų | 180 | 125.5 Ų | 125.5 | 84% | 0.841 | 75% | 0.747 | S | S | * | * | 31 | 107.4 | 109.4 | -59.1 | -177.1 | 126.1 | 0 | 0 | 120.7 | |||||
| 84 | S | 38.5 | Very low | 43.3 | Very low | 116 Ų | 116 | 126.6 Ų | 126.6 | 81% | 0.811 | 75% | 0.753 | S | S | * | * | 162.2 | 118.2 | 112.9 | -75.5 | 0 | 0 | 0 | 0 | 112 | |||||
| 85 | S | 39.8 | Very low | 43 | Very low | 135 Ų | 135 | 124.9 Ų | 124.9 | 94% | 0.944 | 75% | 0.754 | S | S | * | * | trans | -161.4 | 139.9 | 172.3 | -72.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 86 | G | 43.6 | Very low | 42.6 | Very low | 76 Ų | 76 | 125.1 Ų | 125.1 | 78% | 0.784 | 76% | 0.755 | S | S | * | * | trans | 116.9 | 92.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 87 | S | 41.3 | Very low | 42.4 | Very low | 120 Ų | 120 | 127.7 Ų | 127.7 | 84% | 0.839 | 77% | 0.768 | S | S | * | * | cis | 108.5 | 149.6 | 26 | -166.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 88 | S | 41.8 | Very low | 41.6 | Very low | 109 Ų | 109 | 127.2 Ų | 127.2 | 76% | 0.762 | 76% | 0.763 | S | S | * | * | trans | 71.3 | 141.1 | -178.7 | -93.2 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 89 | S | 42.8 | Very low | 41.4 | Very low | 78 Ų | 78 | 129.2 Ų | 129.2 | 55% | 0.545 | 76% | 0.759 | S | S | . | * | cis | 162.6 | 167.7 | -28 | 47 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 90 | E | 52 | Low | 41.2 | Very low | 158 Ų | 158 | 130.2 Ų | 130.2 | 74% | 0.738 | 76% | 0.759 | S | S | * | * | trans | 67.9 | 146 | -172.3 | -57.4 | 98.8 | -99.1 | 0 | 0 | 115.4 | ||||
| 91 | D | 43.8 | Very low | 40.7 | Very low | 145 Ų | 145 | 131.9 Ų | 131.9 | 78% | 0.775 | 76% | 0.761 | S | S | * | * | cis | -152.8 | 140.9 | -19.4 | -102.8 | -1.7 | 0 | 0 | 0 | 106.6 | ||||
| 92 | E | 43.8 | Very low | 40.4 | Very low | 160 Ų | 160 | 132.9 Ų | 132.9 | 75% | 0.748 | 76% | 0.759 | S | S | * | * | 90 | 139.3 | 64.2 | -114.4 | -70.9 | 83.1 | 0 | 0 | 115.3 | |||||
| 93 | I | 48 | Very low | 40.3 | Very low | 135 Ų | 135 | 134.6 Ų | 134.6 | 69% | 0.692 | 77% | 0.767 | S | S | * | * | trans | 88.6 | 105.7 | 166.5 | -53.9 | 168 | 0 | 0 | 0 | 119.9 | ||||
| 94 | N | 35.5 | Very low | 40 | Very low | 134 Ų | 134 | 131.3 Ų | 131.3 | 72% | 0.717 | 76% | 0.764 | S | S | * | * | trans | -78.4 | 153.4 | 166 | -176 | 44.2 | 0 | 0 | 0 | 112.4 | ||||
| 95 | S | 42.2 | Very low | 40.2 | Very low | 108 Ų | 108 | 131.8 Ų | 131.8 | 76% | 0.755 | 76% | 0.762 | S | S | * | * | trans | -161 | 103.4 | 166.6 | -79.9 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 96 | D | 36 | Very low | 40.6 | Very low | 143 Ų | 143 | 134 Ų | 134 | 77% | 0.765 | 76% | 0.757 | S | S | * | * | trans | -68.2 | 140.6 | 156.5 | -71.4 | -66.1 | 0 | 0 | 0 | 110.6 | ||||
| 97 | T | 39.9 | Very low | 40.1 | Very low | 141 Ų | 141 | 136.2 Ų | 136.2 | 87% | 0.865 | 76% | 0.755 | S | S | * | * | trans | -160.7 | 127.5 | 153.9 | -78 | 0 | 0 | 0 | 0 | 112 | ||||
| 98 | C | 31.5 | Very low | 40.3 | Very low | 108 Ų | 108 | 136.3 Ų | 136.3 | 73% | 0.73 | 76% | 0.756 | S | S | * | * | trans | -84.1 | 167.4 | 169.1 | 174.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 99 | V | 37.5 | Very low | 40.2 | Very low | 121 Ų | 121 | 137.1 Ų | 137.1 | 73% | 0.733 | 76% | 0.757 | S | S | * | * | trans | 151.2 | 106.1 | 138.4 | 164.2 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 100 | H | 35.5 | Very low | 40 | Very low | 170 Ų | 170 | 138.4 Ų | 138.4 | 79% | 0.787 | 77% | 0.766 | S | S | * | * | trans | 55 | 126.4 | 133.6 | -80.4 | -62.7 | 0 | 0 | 0 | 125.7 | ||||
| 101 | K | 36 | Very low | 39.6 | Very low | 168 Ų | 168 | 138.3 Ų | 138.3 | 73% | 0.73 | 77% | 0.769 | S | S | * | * | 110.1 | 141.9 | 107.3 | 179.9 | 178 | -173.4 | 174.6 | 0 | 120.7 | |||||
| 102 | R | 35.3 | Very low | 39.2 | Very low | 219 Ų | 219 | 137 Ų | 137 | 83% | 0.826 | 77% | 0.767 | S | S | * | * | trans | 78.5 | 148 | 167.2 | -95.7 | 173.2 | 175 | 151 | -2.2 | 117 | ||||
| 103 | S | 40 | Very low | 38.9 | Very low | 102 Ų | 102 | 135.5 Ų | 135.5 | 71% | 0.713 | 76% | 0.764 | S | S | * | * | cis | -144.8 | 153.5 | 7 | -158.3 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 104 | S | 35.7 | Very low | 38.6 | Very low | 112 Ų | 112 | 136.3 Ų | 136.3 | 78% | 0.783 | 77% | 0.765 | S | S | * | * | trans | -106.9 | 141.1 | 170.8 | 47.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 105 | V | 42.5 | Very low | 38.6 | Very low | 126 Ų | 126 | 139.6 Ų | 139.6 | 76% | 0.764 | 77% | 0.767 | S | S | * | * | trans | -156.4 | 137.6 | 168.3 | -173.5 | 0 | 0 | 0 | 0 | 104.1 | ||||
| 106 | Q | 47.2 | Very low | 38.4 | Very low | 180 Ų | 180 | 140.9 Ų | 140.9 | 84% | 0.841 | 77% | 0.765 | S | S | * | * | cis | -145.8 | 157.4 | 25.2 | -144.4 | 151.9 | 19.5 | 0 | 0 | 111.9 | ||||
| 107 | T | 33.1 | Very low | 38.5 | Very low | 123 Ų | 123 | 138.8 Ų | 138.8 | 76% | 0.755 | 76% | 0.762 | S | S | * | * | trans | -118.8 | 142.3 | 176.6 | -61.3 | 0 | 0 | 0 | 0 | 110.1 | V109 | T107-V109 HydrophobicContact CG2-CG1 4.48Š| ||
| 108 | S | 46.6 | Very low | 38.5 | Very low | 123 Ų | 123 | 137.4 Ų | 137.4 | 86% | 0.86 | 76% | 0.758 | S | S | * | * | trans | -152.6 | 128.2 | 151.6 | 57.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 109 | V | 38.8 | Very low | 38.9 | Very low | 126 Ų | 126 | 137 Ų | 137 | 76% | 0.764 | 76% | 0.756 | S | S | * | * | trans | -106.4 | 153.6 | -175.4 | -78.3 | 0 | 0 | 0 | 0 | 111.9 | T107 | T107-V109 HydrophobicContact CG2-CG1 4.48Š| ||
| 110 | S | 39.1 | Very low | 39.1 | Very low | 105 Ų | 105 | 136 Ų | 136 | 73% | 0.734 | 76% | 0.755 | S | S | * | * | trans | -176.3 | 115.5 | 144.6 | -80.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 111 | L | 44.3 | Very low | 39.4 | Very low | 155 Ų | 155 | 135.2 Ų | 135.2 | 81% | 0.812 | 76% | 0.757 | S | S | * | * | 66.4 | 101.8 | 96.3 | -63.1 | 167 | 0 | 0 | 0 | 112.6 | |||||
| 112 | T | 34 | Very low | 39.8 | Very low | 118 Ų | 118 | 136.2 Ų | 136.2 | 72% | 0.724 | 76% | 0.764 | S | S | * | * | 77.6 | 106.2 | 69.9 | -56 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 113 | D | 38 | Very low | 40.1 | Very low | 129 Ų | 129 | 132.6 Ų | 132.6 | 69% | 0.69 | 76% | 0.756 | S | S | * | * | trans | 161.1 | 119.9 | 137 | -94.1 | -37.4 | 0 | 0 | 0 | 110.3 | ||||
| 114 | Q | 42.2 | Very low | 40.2 | Very low | 152 Ų | 152 | 133.5 Ų | 133.5 | 71% | 0.71 | 76% | 0.762 | S | S | * | * | 75.8 | 107.8 | 86.2 | -83.2 | -164.9 | 93 | 0 | 0 | 117.8 | |||||
| 115 | R | 36 | Very low | 40.3 | Very low | 203 Ų | 203 | 136.3 Ų | 136.3 | 77% | 0.766 | 76% | 0.761 | S | S | * | * | 89.4 | 111.2 | 118.7 | -160.9 | 172.4 | -171.9 | 165.8 | 0.2 | 122 | |||||
| 116 | N | 36.6 | Very low | 40.1 | Very low | 134 Ų | 134 | 140.1 Ų | 140.1 | 72% | 0.717 | 77% | 0.767 | S | S | * | * | trans | 63.5 | 155.3 | 141 | -68.4 | 19.2 | 0 | 0 | 0 | 124.3 | ||||
| 117 | S | 39 | Very low | 39.8 | Very low | 100 Ų | 100 | 137.3 Ų | 137.3 | 70% | 0.699 | 77% | 0.767 | S | S | * | * | trans | 74.6 | 113 | 152.9 | 16.2 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 118 | S | 38.9 | Very low | 40.1 | Very low | 111 Ų | 111 | 142.7 Ų | 142.7 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | 64.4 | 134.7 | 81.1 | 75.2 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 119 | S | 40.5 | Very low | 39.7 | Very low | 100 Ų | 100 | 142 Ų | 142 | 70% | 0.699 | 77% | 0.765 | S | S | * | * | cis | -166.4 | -174.2 | -0.5 | 53.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 120 | S | 42 | Very low | 39.8 | Very low | 100 Ų | 100 | 145 Ų | 145 | 70% | 0.699 | 77% | 0.767 | S | S | * | * | trans | 81.6 | 104.8 | 153.3 | -52 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 121 | D | 40.7 | Very low | 39.7 | Very low | 154 Ų | 154 | 147.8 Ų | 147.8 | 82% | 0.824 | 77% | 0.768 | S | S | * | * | trans | -7.1 | 140.5 | 138.7 | -43.2 | -75.4 | 0 | 0 | 0 | 119 | ||||
| 122 | E | 45.6 | Very low | 39.3 | Very low | 188 Ų | 188 | 147.3 Ų | 147.3 | 88% | 0.879 | 77% | 0.767 | S | S | * | * | -168.9 | 163.4 | 125.6 | -106.7 | -64.5 | 158.7 | 0 | 0 | 112 | |||||
| 123 | E | 40.5 | Very low | 39.2 | Very low | 143 Ų | 143 | 145.3 Ų | 145.3 | 67% | 0.668 | 77% | 0.77 | S | S | * | * | trans | -99.6 | 136.1 | -163.6 | -179.3 | -174.7 | 150.2 | 0 | 0 | 113.2 | K125 | E123-K125 IonicContact OE1-NZ 3.53Š| ||
| 124 | S | 42.3 | Very low | 39 | Very low | 121 Ų | 121 | 148.1 Ų | 148.1 | 85% | 0.846 | 78% | 0.776 | S | S | * | * | trans | -163.2 | 158.1 | 141.6 | -143 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 125 | K | 38.4 | Very low | 39.2 | Very low | 172 Ų | 172 | 148 Ų | 148 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | trans | -92.3 | 163.3 | -170.4 | -70 | 166.4 | 172.4 | 106.4 | 0 | 113.6 | E123 | E123-K125 IonicContact OE1-NZ 3.53Š| ||
| 126 | K | 37.5 | Very low | 39.6 | Very low | 205 Ų | 205 | 143.8 Ų | 143.8 | 89% | 0.891 | 77% | 0.771 | S | S | * | * | trans | 101.5 | 95 | 135.2 | -164.7 | -171.9 | -178.1 | -176.2 | 0 | 118.9 | ||||
| 127 | S | 40.8 | Very low | 39.9 | Very low | 121 Ų | 121 | 143.5 Ų | 143.5 | 85% | 0.846 | 78% | 0.78 | S | S | * | * | -164.4 | 148 | 129 | 45.5 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 128 | R | 40.2 | Very low | 40.3 | Very low | 236 Ų | 236 | 143.8 Ų | 143.8 | 89% | 0.891 | 78% | 0.777 | S | S | * | * | trans | -95.7 | 155.9 | 177.9 | -72.8 | 173.6 | 162.9 | 169.3 | -6.8 | 111.1 | ||||
| 129 | T | 38.7 | Very low | 40.3 | Very low | 110 Ų | 110 | 144 Ų | 144 | 68% | 0.675 | 78% | 0.779 | S | S | * | * | trans | 120.6 | 103 | 136 | -49.5 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 130 | K | 39.7 | Very low | 40.1 | Very low | 188 Ų | 188 | 144.1 Ų | 144.1 | 82% | 0.817 | 78% | 0.779 | S | S | * | * | trans | 62.3 | 145.7 | 157.7 | -55.5 | 170.4 | -173.2 | -178 | 0 | 115 | ||||
| 131 | E | 37 | Very low | 40.1 | Very low | 163 Ų | 163 | 144.6 Ų | 144.6 | 76% | 0.762 | 78% | 0.782 | S | S | * | * | cis | -157 | 167.6 | 19 | -155.2 | 158.3 | 119.4 | 0 | 0 | 109.8 | ||||
| 132 | N | 36.7 | Very low | 40.7 | Very low | 145 Ų | 145 | 144.5 Ų | 144.5 | 78% | 0.775 | 78% | 0.781 | S | S | * | * | trans | 59.8 | 76.1 | 169.4 | -70.2 | -10.6 | 0 | 0 | 0 | 120.5 | K134 | N132-K134 PolarHBondContact O-N 2.94Å; N132-K134 VanDerWaalsContact O-N 3.11Å | ||
| 133 | G | 32.9 | Very low | 42 | Very low | 76 Ų | 76 | 138.3 Ų | 138.3 | 78% | 0.784 | 77% | 0.768 | S | S | * | * | 78.9 | 9.2 | 102.4 | 0 | 0 | 0 | 0 | 0 | 120.7 | I135 | G133-I135 VanDerWaalsContact C-N 3.34Å; G133-I135 PolarHBondContact O-N 2.83Å | |||
| 134 | K | 33.1 | Very low | 44.2 | Very low | 188 Ų | 188 | 134.8 Ų | 134.8 | 82% | 0.817 | 75% | 0.751 | S | S | * | * | trans | -74.5 | 83.3 | 170.8 | -168 | 173.3 | -178.2 | 178.8 | 0 | 110.9 | N132 N136 | N132-K134 PolarHBondContact O-N 2.94Å; N132-K134 VanDerWaalsContact O-N 3.11Å; K134-N136 PolarHBondContact O-N 2.81Å | ||
| 135 | I | 46.7 | Very low | 46.4 | Very low | 151 Ų | 151 | 130.2 Ų | 130.2 | 77% | 0.774 | 72% | 0.718 | S | S | * | * | trans | -74.3 | 114.7 | 176.1 | -62.3 | 179.7 | 0 | 0 | 0 | 109.1 | G133 | G133-I135 VanDerWaalsContact C-N 3.34Å; G133-I135 PolarHBondContact O-N 2.83Å | ||
| 136 | N | 43.8 | Very low | 49 | Very low | 114 Ų | 114 | 124.3 Ų | 124.3 | 61% | 0.61 | 70% | 0.696 | S | S | * | * | trans | -66.2 | 135.3 | 179 | -64.2 | -32.9 | 0 | 0 | 0 | 111.2 | K134 T138 | K134-N136 PolarHBondContact O-N 2.81Å; N136-T138 HydrophobicContact CB-CG2 4.26Å; N136-T138 PolarHBondContact O-N 2.94Å | ||
| 137 | S | 43.4 | Very low | 51.6 | Low | 128 Ų | 128 | 114.6 Ų | 114.6 | 90% | 0.895 | 65% | 0.653 | S | S | * | * | trans | -72.8 | 71.4 | 166.7 | 54.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 138 | T | 46.5 | Very low | 54.1 | Low | 106 Ų | 106 | 111.6 Ų | 111.6 | 65% | 0.65 | 63% | 0.625 | S | S | * | * | trans | -95 | 111.8 | 168.8 | 47.9 | 0 | 0 | 0 | 0 | 109.1 | N136 C140 | N136-T138 HydrophobicContact CB-CG2 4.26Å; N136-T138 PolarHBondContact O-N 2.94Å; T138-C140 PolarHBondContact O-N 3.5Å | ||
| 139 | S | 39.2 | Very low | 56.6 | Low | 116 Ų | 116 | 100.3 Ų | 100.3 | 81% | 0.811 | 58% | 0.583 | S | S | * | * | trans | -57.6 | 99 | 179.2 | 40.1 | 0 | 0 | 0 | 0 | 112.2 | S141 | S139-S141 PolarHBondContact O-N 2.85Å; S139-S141 VanDerWaalsContact O-N 3.15Å | ||
| 140 | C | 36.8 | Very low | 59.2 | Low | 102 Ų | 102 | 96.7 Ų | 96.7 | 69% | 0.689 | 56% | 0.558 | S | S | * | * | trans | -73.1 | 107.2 | 169.9 | -69.7 | 0 | 0 | 0 | 0 | 109.9 | T138 N142 | T138-C140 PolarHBondContact O-N 3.5Å; C140-N142 PolarHBondContact O-N 3.48Å | ||
| 141 | S | 42.1 | Very low | 61.6 | Low | 109 Ų | 109 | 89 Ų | 89 | 76% | 0.762 | 52% | 0.524 | S | S | * | . | S | Bend | trans | -55.1 | 101.5 | 167.4 | 42.1 | 0 | 0 | 0 | 0 | 110.8 | S139 | S139-S141 PolarHBondContact O-N 2.85Å; S139-S141 VanDerWaalsContact O-N 3.15Å |
| 142 | N | 52.3 | Low | 63.9 | Low | 152 Ų | 152 | 87.8 Ų | 87.8 | 81% | 0.813 | 52% | 0.522 | S | S | * | . | S | Bend | trans | 166 | 76.8 | 149.9 | -85 | -25.7 | 0 | 0 | 0 | 111.6 | C140 H144 | C140-N142 PolarHBondContact O-N 3.48Å; N142-H144 VanDerWaalsContact C-N 3.28Å; N142-H144 WeakPolarHBondContact O-CB 3.32Å; N142-H144 PolarHBondContact O-N 3.21Å; N142-H144 VanDerWaalsContact O-N 3.08Å |
| 143 | G | 74.4 | Confident | 66.3 | Low | 59 Ų | 59 | 87.3 Ų | 87.3 | 61% | 0.608 | 52% | 0.519 | S | S | * | . | S | Bend | trans | 55.3 | 35.9 | 162.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | S162 P163 | G143-S162 PolarHBondContact O-OG 2.7Å; G143-S162 VanDerWaalsContact O-OG 3.1Å; G143-P163 WeakPolarHBondContact O-CD 3.39Å |
| 144 | H | 84.9 | Confident | 68.8 | Low | 68 Ų | 68 | 91.9 Ų | 91.9 | 32% | 0.315 | 52% | 0.52 | S | S | . | . | trans | -134.3 | 133.3 | -165.9 | -167.8 | -70.1 | 0 | 0 | 0 | 110.6 | N142 H160 A161 | N142-H144 VanDerWaalsContact C-N 3.28Å; N142-H144 WeakPolarHBondContact O-CB 3.32Å; N142-H144 PolarHBondContact O-N 3.21Å; N142-H144 VanDerWaalsContact O-N 3.08Å; H144-H160 WeakPolarHBondContact CE1-CA 3.29Å; H144-H160 WeakPolarHBondContact CE1-CB 3.34Å; H144-H160 AromaticContact CE1-CG 3.52Å; H144-H160 AromaticContact CE1-ND1 3.14Å; H144-H160 PolarHBondContact CE1-ND1 2.95Å; H144-H160 AromaticContact ND1-ND1 3.35Å; H144-H160 PolarHBondContact ND1-ND1 3.34Å; H144-A161 PolarHBondContact CE1-N 3.17Å; H144-A161 PolarHBondContact CE1-O 3.22Å; H144-A161 PolarHBondContact NE2-N 2.88Å; H144-A161 VanDerWaalsContact NE2-N 3.17Å; H144-A161 PolarHBondContact NE2-O 2.94Å | ||
| 145 | L | 90.2 | Very high | 71.5 | Confident | 26 Ų | 26 | 88.5 Ų | 88.5 | 14% | 0.136 | 51% | 0.508 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 140 | -176.3 | -49.3 | 176.8 | 0 | 0 | 0 | 111.1 | I147 A161 P163 D223 | L145-I147 HydrophobicContact CB-CG1 4.36Å; L145-A161 WeakPolarHBondContact CA-O 3.29Å; L145-A161 PolarHBondContact N-O 3.46Å; L145-A161 PolarHBondContact O-N 2.98Å; L145-A161 VanDerWaalsContact O-O 3.09Å; L145-P163 HydrophobicContact CD1-CB 3.9Å; L145-P163 HydrophobicContact CD1-CG 4.49Å; L145-P163 HydrophobicContact CG-CB 4.48Å; L145-D223 HydrophobicContact CD2-CB 3.91Å |
| 146 | V | 92.1 | Very high | 73.5 | Confident | 48 Ų | 48 | 83.8 Ų | 83.8 | 29% | 0.291 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 115.5 | 168.1 | -172.8 | 0 | 0 | 0 | 0 | 108.6 | F158 D223 G224 | V146-F158 HydrophobicContact CG1-CB 4.1Å; V146-F158 HydrophobicContact CG1-CD1 4.04Å; V146-F158 HydrophobicContact CG1-CG 4.48Å; V146-D223 PolarHBondContact N-OD1 2.94Å; V146-G224 WeakPolarHBondContact O-CA 3.39Å; V146-G224 PolarHBondContact O-N 3.4Å |
| 147 | I | 92.7 | Very high | 75.8 | Confident | 0 Ų | 0 | 83.9 Ų | 83.9 | 0% | 0 | 48% | 0.48 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 131.4 | -177.3 | -59.5 | 173.6 | 0 | 0 | 0 | 108.5 | L145 L149 F158 V159 A161 F170 L216 V221 S225 I227 | L145-I147 HydrophobicContact CB-CG1 4.36Å; I147-L149 HydrophobicContact CG2-CD1 4.15Å; I147-F158 WeakPolarHBondContact O-CA 3.1Å; I147-V159 HydrophobicContact CB-CG2 4.3Å; I147-V159 PolarHBondContact N-O 3.36Å; I147-V159 PolarHBondContact O-N 3.33Å; I147-A161 HydrophobicContact CD1-CB 3.9Å; I147-F170 HydrophobicContact CD1-CE2 4.05Å; I147-F170 HydrophobicContact CD1-CZ 4.48Å; I147-L216 HydrophobicContact CD1-CD2 3.61Å; I147-V221 HydrophobicContact CD1-CG1 3.7Å; I147-V221 HydrophobicContact CG1-CG1 4.18Å; I147-S225 WeakPolarHBondContact CG2-O 3.04Å; I147-I227 HydrophobicContact CD1-CD1 4.5Å; I147-I227 HydrophobicContact CG2-CB 4.41Å; I147-I227 HydrophobicContact CG2-CD1 3.64Å; I147-I227 HydrophobicContact CG2-CG1 3.77Å |
| 148 | K | 93.7 | Very high | 78.1 | Confident | 58 Ų | 58 | 83.9 Ų | 83.9 | 25% | 0.252 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 112.3 | 172.5 | -173.2 | -175.7 | 176.2 | -168.1 | 0 | 109.4 | Q150 S156 F158 S225 T226 I227 | K148-Q150 VanDerWaalsContact CE-OE1 3.25Å; K148-Q150 VanDerWaalsContact NZ-OE1 3.14Å; K148-S156 WeakPolarHBondContact CE-OG 3.39Å; K148-F158 HydrophobicContact CB-CD1 4.04Å; K148-F158 HydrophobicContact CB-CE1 3.81Å; K148-F158 HydrophobicContact CD-CE1 4.24Å; K148-F158 HydrophobicContact CD-CZ 4.26Å; K148-F158 HydrophobicContact CG-CD1 4.37Å; K148-F158 HydrophobicContact CG-CE1 3.94Å; K148-F158 HydrophobicContact CG-CZ 4.24Å; K148-S225 PolarHBondContact N-O 2.89Å; K148-T226 HydrophobicContact CB-CG2 4.46Å; K148-T226 HydrophobicContact CD-CG2 4.33Å; K148-T226 HydrophobicContact CG-CG2 4.45Å; K148-T226 CarbonylContact O-C 3.51Å; K148-T226 VanDerWaalsContact O-CA 3.26Å; K148-T226 WeakPolarHBondContact O-CA 3.38Å; K148-I227 PolarHBondContact O-N 3.1Å |
| 149 | L | 92.7 | Very high | 80.3 | Confident | 0 Ų | 0 | 79.1 Ų | 79.1 | 0% | 0 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 129.5 | 165.2 | -79.8 | 55.1 | 0 | 0 | 0 | 107.5 | I147 Y151 S156 R157 V159 F170 H174 F175 I227 C229 | I147-L149 HydrophobicContact CG2-CD1 4.15Å; L149-Y151 HydrophobicContact CB-CE2 4.29Å; L149-S156 CarbonylContact O-C 3.57Å; L149-S156 WeakPolarHBondContact O-CA 3.26Å; L149-S156 WeakPolarHBondContact O-CB 3.09Å; L149-R157 HydrophobicContact CB-CB 4.4Å; L149-R157 WeakPolarHBondContact CB-O 3.34Å; L149-R157 PolarHBondContact N-O 3.21Å; L149-R157 PolarHBondContact O-N 3.2Å; L149-V159 HydrophobicContact CD1-CB 4.11Å; L149-V159 HydrophobicContact CD1-CG1 3.75Å; L149-V159 HydrophobicContact CD1-CG2 3.31Å; L149-V159 HydrophobicContact CD2-CG1 3.82Å; L149-V159 HydrophobicContact CG-CG1 4.36Å; L149-F170 HydrophobicContact CD1-CZ 3.9Å; L149-H174 HydrophobicContact CD2-CB 4.47Å; L149-F175 HydrophobicContact CD2-CE1 4.13Å; L149-F175 HydrophobicContact CD2-CE2 3.83Å; L149-F175 HydrophobicContact CD2-CZ 3.35Å; L149-F175 HydrophobicContact CG-CZ 4.18Å; L149-I227 WeakPolarHBondContact CA-O 3.09Å; L149-C229 VanDerWaalsContact CG-SG 3.58Å |
| 150 | Q | 92.3 | Very high | 82.7 | Confident | 33 Ų | 33 | 78.2 Ų | 78.2 | 15% | 0.154 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 107.9 | 174.1 | -172.7 | 61.7 | 62.9 | 0 | 0 | 108.4 | K148 E154 E155 T226 I227 H228 C229 | K148-Q150 VanDerWaalsContact CE-OE1 3.25Å; K148-Q150 VanDerWaalsContact NZ-OE1 3.14Å; Q150-E154 VanDerWaalsContact NE2-C 3.28Å; Q150-E154 PolarHBondContact NE2-O 2.96Å; Q150-E155 PolarHBondContact NE2-O 3.35Å; Q150-T226 HydrophobicContact CB-CG2 3.81Å; Q150-I227 PolarHBondContact N-O 3.49Å; Q150-H228 CarbonylContact O-C 3.51Å; Q150-H228 WeakPolarHBondContact O-CA 3.39Å; Q150-C229 PolarHBondContact O-N 3.04Å |
| 151 | Y | 90.4 | Very high | 85.3 | Confident | 27 Ų | 27 | 73.4 Ų | 73.4 | 11% | 0.106 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 161.3 | 175.7 | -68.2 | -94.8 | 0 | 0 | 0 | 110.4 | L149 N153 E154 E155 R157 F175 E178 C229 V231 | L149-Y151 HydrophobicContact CB-CE2 4.29Å; Y151-N153 PolarHBondContact O-N 3Å; Y151-E154 PolarHBondContact O-N 2.72Å; Y151-E155 WeakPolarHBondContact CB-O 3.37Å; Y151-E155 PolarHBondContact N-O 2.87Å; Y151-R157 HydrophobicContact CE2-CB 4.16Å; Y151-F175 AromaticContact CE1-CE1 3.97Å; Y151-F175 HydrophobicContact CE1-CE1 3.97Å; Y151-E178 WeakPolarHBondContact CE1-OE1 3.34Å; Y151-E178 PolarHBondContact OH-OE1 3.47Å; Y151-C229 HydrophobicContact CD1-CB 4.12Å; Y151-C229 HydrophobicContact CE1-CB 4.37Å; Y151-C229 HydrophobicContact CG-CB 4.45Å; Y151-V231 HydrophobicContact CD1-CG2 4.03Å; Y151-V231 HydrophobicContact CE1-CG2 4.02Å |
| 152 | L | 85.9 | Confident | 87.6 | Confident | 137 Ų | 137 | 70.3 Ų | 70.3 | 72% | 0.717 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -29.4 | 175.5 | -173.5 | 64 | 0 | 0 | 0 | 112.6 | E154 L230 | L152-E154 PolarHBondContact O-N 3.19Å; L152-L230 HydrophobicContact CD2-CD1 4.27Å |
| 153 | N | 85.8 | Confident | 89.2 | Confident | 135 Ų | 135 | 64.8 Ų | 64.8 | 72% | 0.722 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | 23.6 | -179.8 | -56.5 | -9.7 | 0 | 0 | 0 | 113.3 | Y151 E155 | Y151-N153 PolarHBondContact O-N 3Å; N153-E155 PolarHBondContact O-N 3.35Å |
| 154 | E | 85.1 | Confident | 89.8 | Confident | 172 Ų | 172 | 66.4 Ų | 66.4 | 80% | 0.804 | 33% | 0.334 | S | S | * | . | S | Bend | trans | 60.3 | -15 | -172.9 | -55.6 | -175.4 | 168.6 | 0 | 0 | 116.3 | Q150 Y151 L152 S156 | Q150-E154 VanDerWaalsContact NE2-C 3.28Å; Q150-E154 PolarHBondContact NE2-O 2.96Å; Y151-E154 PolarHBondContact O-N 2.72Å; L152-E154 PolarHBondContact O-N 3.19Å; E154-S156 PolarHBondContact O-N 2.79Å |
| 155 | E | 90.1 | Very high | 90 | Very high | 118 Ų | 118 | 64 Ų | 64 | 55% | 0.551 | 32% | 0.323 | S | S | * | . | trans | -54 | 135.2 | 171.2 | -173.7 | -178.6 | 171.3 | 0 | 0 | 111.2 | Q150 Y151 N153 | Q150-E155 PolarHBondContact NE2-O 3.35Å; Y151-E155 WeakPolarHBondContact CB-O 3.37Å; Y151-E155 PolarHBondContact N-O 2.87Å; N153-E155 PolarHBondContact O-N 3.35Å | ||
| 156 | S | 90.1 | Very high | 90 | Very high | 51 Ų | 51 | 63.7 Ų | 63.7 | 36% | 0.357 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 136.1 | 175.4 | 79.3 | 0 | 0 | 0 | 0 | 112.5 | K148 L149 E154 | K148-S156 WeakPolarHBondContact CE-OG 3.39Å; L149-S156 CarbonylContact O-C 3.57Å; L149-S156 WeakPolarHBondContact O-CA 3.26Å; L149-S156 WeakPolarHBondContact O-CB 3.09Å; E154-S156 PolarHBondContact O-N 2.79Å |
| 157 | R | 91.4 | Very high | 89.9 | Confident | 116 Ų | 116 | 61.4 Ų | 61.4 | 44% | 0.438 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 118 | -174.1 | -173.1 | -179.7 | -174.9 | -176.5 | 4.5 | 109.9 | L149 Y151 V159 | L149-R157 HydrophobicContact CB-CB 4.4Å; L149-R157 WeakPolarHBondContact CB-O 3.34Å; L149-R157 PolarHBondContact N-O 3.21Å; L149-R157 PolarHBondContact O-N 3.2Å; Y151-R157 HydrophobicContact CE2-CB 4.16Å; R157-V159 HydrophobicContact CG-CG1 4.01Å; R157-V159 PolarHBondContact O-N 3.02Å |
| 158 | F | 91.8 | Very high | 89.6 | Confident | 129 Ų | 129 | 63.5 Ų | 63.5 | 57% | 0.566 | 32% | 0.32 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 125.1 | 169.3 | -63.8 | -80.3 | 0 | 0 | 0 | 109.2 | V146 I147 K148 | V146-F158 HydrophobicContact CG1-CB 4.1Å; V146-F158 HydrophobicContact CG1-CD1 4.04Å; V146-F158 HydrophobicContact CG1-CG 4.48Å; I147-F158 WeakPolarHBondContact O-CA 3.1Å; K148-F158 HydrophobicContact CB-CD1 4.04Å; K148-F158 HydrophobicContact CB-CE1 3.81Å; K148-F158 HydrophobicContact CD-CE1 4.24Å; K148-F158 HydrophobicContact CD-CZ 4.26Å; K148-F158 HydrophobicContact CG-CD1 4.37Å; K148-F158 HydrophobicContact CG-CE1 3.94Å; K148-F158 HydrophobicContact CG-CZ 4.24Å |
| 159 | V | 91.6 | Very high | 89.4 | Confident | 5 Ų | 5 | 69.2 Ų | 69.2 | 3% | 0.03 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 156.3 | 177.1 | -50 | 0 | 0 | 0 | 0 | 111.6 | I147 L149 R157 F170 H174 | I147-V159 HydrophobicContact CB-CG2 4.3Å; I147-V159 PolarHBondContact N-O 3.36Å; I147-V159 PolarHBondContact O-N 3.33Å; L149-V159 HydrophobicContact CD1-CB 4.11Å; L149-V159 HydrophobicContact CD1-CG1 3.75Å; L149-V159 HydrophobicContact CD1-CG2 3.31Å; L149-V159 HydrophobicContact CD2-CG1 3.82Å; L149-V159 HydrophobicContact CG-CG1 4.36Å; R157-V159 HydrophobicContact CG-CG1 4.01Å; R157-V159 PolarHBondContact O-N 3.02Å; V159-F170 HydrophobicContact CG2-CE2 3.72Å; V159-F170 HydrophobicContact CG2-CZ 3.82Å; V159-H174 HydrophobicContact CG1-CB 4.44Å |
| 160 | H | 91.1 | Very high | 89.2 | Confident | 98 Ų | 98 | 69.2 Ų | 69.2 | 45% | 0.454 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 111.1 | -175.6 | -83.4 | -87.9 | 0 | 0 | 0 | 111.8 | H144 K173 | H144-H160 WeakPolarHBondContact CE1-CA 3.29Å; H144-H160 WeakPolarHBondContact CE1-CB 3.34Å; H144-H160 AromaticContact CE1-CG 3.52Å; H144-H160 AromaticContact CE1-ND1 3.14Å; H144-H160 PolarHBondContact CE1-ND1 2.95Å; H144-H160 AromaticContact ND1-ND1 3.35Å; H144-H160 PolarHBondContact ND1-ND1 3.34Å; H160-K173 PolarHBondContact O-NZ 3.13Å |
| 161 | A | 90.5 | Very high | 89 | Confident | 1 Ų | 1 | 69.2 Ų | 69.2 | 1% | 0.008 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 156.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | H144 L145 I147 M165 F170 L216 | H144-A161 PolarHBondContact CE1-N 3.17Å; H144-A161 PolarHBondContact CE1-O 3.22Å; H144-A161 PolarHBondContact NE2-N 2.88Å; H144-A161 VanDerWaalsContact NE2-N 3.17Å; H144-A161 PolarHBondContact NE2-O 2.94Å; L145-A161 WeakPolarHBondContact CA-O 3.29Å; L145-A161 PolarHBondContact N-O 3.46Å; L145-A161 PolarHBondContact O-N 2.98Å; L145-A161 VanDerWaalsContact O-O 3.09Å; I147-A161 HydrophobicContact CD1-CB 3.9Å; A161-M165 HydrophobicContact CB-SD 3.94Å; A161-F170 HydrophobicContact CB-CD2 3.64Å; A161-F170 HydrophobicContact CB-CE2 3.66Å; A161-L216 HydrophobicContact CB-CD2 4.17Å |
| 162 | S | 90.8 | Very high | 88.8 | Confident | 43 Ų | 43 | 73.5 Ų | 73.5 | 30% | 0.301 | 36% | 0.359 | S | S | . | . | trans | -94 | 145 | 173.2 | -176.8 | 0 | 0 | 0 | 0 | 109.6 | G143 T164 M165 | G143-S162 PolarHBondContact O-OG 2.7Å; G143-S162 VanDerWaalsContact O-OG 3.1Å; S162-T164 PolarHBondContact O-N 2.89Å; S162-M165 WeakPolarHBondContact O-CB 3.48Å; S162-M165 PolarHBondContact O-N 2.95Å; S162-M165 VanDerWaalsContact O-N 3.07Å | ||
| 163 | P | 86.6 | Confident | 88.7 | Confident | 37 Ų | 37 | 72.2 Ų | 72.2 | 24% | 0.24 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -32.7 | -176.8 | 20.5 | -29.5 | 0 | 0 | 0 | 112.9 | G143 L145 M165 C217 | G143-P163 WeakPolarHBondContact O-CD 3.39Å; L145-P163 HydrophobicContact CD1-CB 3.9Å; L145-P163 HydrophobicContact CD1-CG 4.49Å; L145-P163 HydrophobicContact CG-CB 4.48Å; P163-M165 PolarHBondContact O-N 3.18Å; P163-C217 HydrophobicContact CB-CB 4.08Å; P163-C217 WeakPolarHBondContact O-CB 3.11Å; P163-C217 PolarHBondContact O-N 3.26Å; P163-C217 PolarHBondContact O-SG 2.73Å; P163-C217 VanDerWaalsContact O-SG 3.34Å |
| 164 | T | 86.9 | Confident | 88.5 | Confident | 92 Ų | 92 | 66.7 Ų | 66.7 | 56% | 0.564 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -0.4 | -178.7 | 58.8 | 0 | 0 | 0 | 0 | 113.9 | S162 R215 | S162-T164 PolarHBondContact O-N 2.89Å; T164-R215 WeakPolarHBondContact O-CD 3.44Å; T164-R215 WeakPolarHBondContact O-CG 3.41Å |
| 165 | M | 88.2 | Confident | 88.4 | Confident | 19 Ų | 19 | 58.6 Ų | 58.6 | 9% | 0.094 | 28% | 0.279 | C | S | . | . | trans | -67.6 | 134.9 | 179 | -166.2 | 173 | -163.5 | 0 | 0 | 110.9 | A161 S162 P163 R169 F170 K173 R215 L216 | A161-M165 HydrophobicContact CB-SD 3.94Å; S162-M165 WeakPolarHBondContact O-CB 3.48Å; S162-M165 PolarHBondContact O-N 2.95Å; S162-M165 VanDerWaalsContact O-N 3.07Å; P163-M165 PolarHBondContact O-N 3.18Å; M165-R169 HydrophobicContact CE-CB 4.14Å; M165-R169 HydrophobicContact CE-CG 3.77Å; M165-R169 WeakPolarHBondContact CE-O 3.49Å; M165-R169 HydrophobicContact CG-CB 4.08Å; M165-R169 HydrophobicContact CG-CG 4.36Å; M165-F170 HydrophobicContact CE-CB 4.45Å; M165-F170 HydrophobicContact CG-CB 4.37Å; M165-F170 HydrophobicContact SD-CB 4.1Å; M165-F170 HydrophobicContact SD-CD2 4.15Å; M165-K173 HydrophobicContact CE-CB 3.86Å; M165-K173 HydrophobicContact CE-CD 3.77Å; M165-K173 HydrophobicContact CE-CG 4.41Å; M165-R215 VanDerWaalsContact O-CA 3.3Å; M165-R215 WeakPolarHBondContact O-CA 3.28Å; M165-L216 VanDerWaalsContact O-CD1 3.3Å; M165-L216 WeakPolarHBondContact O-CD1 3.46Å; M165-L216 PolarHBondContact O-N 2.94Å | ||
| 166 | S | 90 | Very high | 87.7 | Confident | 19 Ų | 19 | 55.6 Ų | 55.6 | 13% | 0.133 | 27% | 0.269 | C | S | . | . | B | Isolated β-bridge | trans | -73.3 | 152 | 172.2 | 106.2 | 0 | 0 | 0 | 0 | 111.4 | N168 R169 F170 D197 Q214 | S166-N168 VanDerWaalsContact C-N 3.32Å; S166-N168 PolarHBondContact O-N 3.43Å; S166-N168 PolarHBondContact OG-N 3.44Å; S166-R169 PolarHBondContact O-N 3.21Å; S166-R169 VanDerWaalsContact O-N 3.1Å; S166-R169 PolarHBondContact OG-N 2.85Å; S166-F170 PolarHBondContact O-N 2.9Å; S166-D197 WeakPolarHBondContact CB-OD1 3.3Å; S166-D197 PolarHBondContact OG-OD1 3.36Å; S166-Q214 WeakPolarHBondContact CA-O 3.47Å |
| 167 | V | 90.1 | Very high | 86.8 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59.2 | -40.7 | -178.9 | 177.5 | 0 | 0 | 0 | 0 | 112 | F170 K171 L188 L195 Q214 L216 Y219 | V167-F170 WeakPolarHBondContact O-CB 3.42Å; V167-F170 PolarHBondContact O-N 3.28Å; V167-K171 HydrophobicContact CG1-CD 4.42Å; V167-K171 HydrophobicContact CG1-CG 4.44Å; V167-K171 WeakPolarHBondContact O-CG 3.3Å; V167-K171 PolarHBondContact O-N 3.2Å; V167-L188 HydrophobicContact CG1-CD1 4.49Å; V167-L195 HydrophobicContact CG1-CB 3.87Å; V167-L195 WeakPolarHBondContact CG1-O 3.3Å; V167-L195 HydrophobicContact CG2-CB 4.1Å; V167-Q214 PolarHBondContact N-O 2.95Å; V167-L216 HydrophobicContact CG2-CD1 4.06Å; V167-Y219 HydrophobicContact CG2-CD2 4.26Å; V167-Y219 HydrophobicContact CG2-CE2 3.92Å |
| 168 | N | 87.2 | Confident | 85.8 | Confident | 44 Ų | 44 | 53.7 Ų | 53.7 | 24% | 0.235 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.8 | -40.1 | 175.3 | 179.5 | -5.9 | 0 | 0 | 0 | 112.4 | S166 F170 K171 K172 D197 | S166-N168 VanDerWaalsContact C-N 3.32Å; S166-N168 PolarHBondContact O-N 3.43Å; S166-N168 PolarHBondContact OG-N 3.44Å; N168-F170 VanDerWaalsContact C-N 3.31Å; N168-F170 PolarHBondContact O-N 2.71Å; N168-K171 PolarHBondContact O-N 3.15Å; N168-K172 VanDerWaalsContact O-CB 3.29Å; N168-K172 WeakPolarHBondContact O-CB 3.46Å; N168-K172 WeakPolarHBondContact O-CG 3.48Å; N168-K172 PolarHBondContact O-N 3.42Å; N168-K172 VanDerWaalsContact OD1-CD 3.29Å; N168-K172 WeakPolarHBondContact OD1-CD 3.39Å; N168-K172 WeakPolarHBondContact OD1-CE 3.42Å; N168-K172 PolarHBondContact OD1-NZ 3.09Å; N168-D197 HydrophobicContact CB-CB 3.66Å; N168-D197 WeakPolarHBondContact CB-OD1 3.5Å; N168-D197 WeakPolarHBondContact CB-OD2 3.38Å; N168-D197 PolarHBondContact N-OD1 2.93Å; N168-D197 PolarHBondContact ND2-OD2 2.66Å |
| 169 | R | 87.8 | Confident | 84.8 | Confident | 177 Ų | 177 | 50.5 Ų | 50.5 | 67% | 0.668 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -64.6 | -38.5 | 174.2 | -161.2 | -176.3 | 179.9 | -174.6 | 1.1 | 111 | M165 S166 K172 K173 | M165-R169 HydrophobicContact CE-CB 4.14Å; M165-R169 HydrophobicContact CE-CG 3.77Å; M165-R169 WeakPolarHBondContact CE-O 3.49Å; M165-R169 HydrophobicContact CG-CB 4.08Å; M165-R169 HydrophobicContact CG-CG 4.36Å; S166-R169 PolarHBondContact O-N 3.21Å; S166-R169 VanDerWaalsContact O-N 3.1Å; S166-R169 PolarHBondContact OG-N 2.85Å; R169-K172 CarbonylContact O-C 3.51Å; R169-K172 PolarHBondContact O-N 3.42Å; R169-K173 PolarHBondContact O-N 3.06Å; R169-K173 VanDerWaalsContact O-N 3.1Å |
| 170 | F | 89.5 | Confident | 83.7 | Confident | 1 Ų | 1 | 55.8 Ų | 55.8 | 0% | 0.004 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.9 | -47.2 | 177.3 | 179.1 | -94.1 | 0 | 0 | 0 | 112.1 | I147 L149 V159 A161 M165 S166 V167 N168 K172 K173 H174 F175 L188 L216 I227 | I147-F170 HydrophobicContact CD1-CE2 4.05Å; I147-F170 HydrophobicContact CD1-CZ 4.48Å; L149-F170 HydrophobicContact CD1-CZ 3.9Å; V159-F170 HydrophobicContact CG2-CE2 3.72Å; V159-F170 HydrophobicContact CG2-CZ 3.82Å; A161-F170 HydrophobicContact CB-CD2 3.64Å; A161-F170 HydrophobicContact CB-CE2 3.66Å; M165-F170 HydrophobicContact CE-CB 4.45Å; M165-F170 HydrophobicContact CG-CB 4.37Å; M165-F170 HydrophobicContact SD-CB 4.1Å; M165-F170 HydrophobicContact SD-CD2 4.15Å; S166-F170 PolarHBondContact O-N 2.9Å; V167-F170 WeakPolarHBondContact O-CB 3.42Å; V167-F170 PolarHBondContact O-N 3.28Å; N168-F170 VanDerWaalsContact C-N 3.31Å; N168-F170 PolarHBondContact O-N 2.71Å; F170-K172 VanDerWaalsContact C-N 3.33Å; F170-K172 PolarHBondContact O-N 3.21Å; F170-K173 PolarHBondContact O-N 3.45Å; F170-H174 AromaticContact CD2-CE1 3.52Å; F170-H174 AromaticContact CD2-ND1 3.39Å; F170-H174 WeakPolarHBondContact CD2-ND1 3.39Å; F170-H174 AromaticContact CE2-CE1 3.47Å; F170-H174 VanDerWaalsContact CE2-CE1 3.47Å; F170-H174 WeakPolarHBondContact CE2-CE1 3.35Å; F170-H174 AromaticContact CE2-ND1 3.32Å; F170-H174 VanDerWaalsContact CE2-ND1 3.32Å; F170-H174 WeakPolarHBondContact CE2-ND1 3.45Å; F170-H174 AromaticContact CG-ND1 3.88Å; F170-H174 AromaticContact CZ-ND1 3.75Å; F170-H174 PolarHBondContact O-N 3.15Å; F170-H174 PolarHBondContact O-ND1 3.1Å; F170-F175 HydrophobicContact CE1-CE2 4.16Å; F170-L188 HydrophobicContact CD1-CD1 3.71Å; F170-L188 HydrophobicContact CE1-CD1 3.84Å; F170-L216 HydrophobicContact CB-CD1 3.87Å; F170-L216 HydrophobicContact CB-CD2 4.47Å; F170-L216 HydrophobicContact CD2-CD2 3.65Å; F170-L216 HydrophobicContact CE2-CD2 3.93Å; F170-L216 HydrophobicContact CG-CD1 4.21Å; F170-L216 HydrophobicContact CG-CD2 4.06Å; F170-I227 HydrophobicContact CE1-CD1 4.49Å; F170-I227 HydrophobicContact CZ-CD1 4.37Å |
| 171 | K | 88.2 | Confident | 82.7 | Confident | 32 Ų | 32 | 56.7 Ų | 56.7 | 14% | 0.139 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -53.8 | -49.9 | 172.1 | -72.8 | -174.3 | -174.4 | -166.1 | 0 | 110.4 | V167 N168 K173 F175 I179 V186 L188 | V167-K171 HydrophobicContact CG1-CD 4.42Å; V167-K171 HydrophobicContact CG1-CG 4.44Å; V167-K171 WeakPolarHBondContact O-CG 3.3Å; V167-K171 PolarHBondContact O-N 3.2Å; N168-K171 PolarHBondContact O-N 3.15Å; K171-K173 PolarHBondContact O-N 2.95Å; K171-F175 WeakPolarHBondContact O-CB 3.19Å; K171-F175 PolarHBondContact O-N 2.86Å; K171-I179 HydrophobicContact CB-CD1 4.21Å; K171-V186 WeakPolarHBondContact CE-O 3.24Å; K171-V186 PolarHBondContact NZ-O 3.46Å; K171-L188 HydrophobicContact CD-CD1 4.27Å; K171-L188 HydrophobicContact CG-CD1 3.59Å; K171-L188 HydrophobicContact CG-CG 4.33Å |
| 172 | K | 85 | Confident | 81.6 | Confident | 117 Ų | 117 | 61.4 Ų | 61.4 | 51% | 0.509 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -69.4 | -3.3 | 176.6 | -73.9 | 176.4 | 174.3 | 159.2 | 0 | 116.3 | N168 R169 F170 V176 | N168-K172 VanDerWaalsContact O-CB 3.29Å; N168-K172 WeakPolarHBondContact O-CB 3.46Å; N168-K172 WeakPolarHBondContact O-CG 3.48Å; N168-K172 PolarHBondContact O-N 3.42Å; N168-K172 VanDerWaalsContact OD1-CD 3.29Å; N168-K172 WeakPolarHBondContact OD1-CD 3.39Å; N168-K172 WeakPolarHBondContact OD1-CE 3.42Å; N168-K172 PolarHBondContact OD1-NZ 3.09Å; R169-K172 CarbonylContact O-C 3.51Å; R169-K172 PolarHBondContact O-N 3.42Å; F170-K172 VanDerWaalsContact C-N 3.33Å; F170-K172 PolarHBondContact O-N 3.21Å; K172-V176 WeakPolarHBondContact O-CG2 3.49Å |
| 173 | K | 85.7 | Confident | 80.5 | Confident | 110 Ų | 110 | 66.3 Ų | 66.3 | 48% | 0.478 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -101.4 | -41.3 | 174.6 | -174.6 | -177.1 | 170.6 | -166.3 | 0 | 111.8 | H160 M165 R169 F170 K171 | H160-K173 PolarHBondContact O-NZ 3.13Å; M165-K173 HydrophobicContact CE-CB 3.86Å; M165-K173 HydrophobicContact CE-CD 3.77Å; M165-K173 HydrophobicContact CE-CG 4.41Å; R169-K173 PolarHBondContact O-N 3.06Å; R169-K173 VanDerWaalsContact O-N 3.1Å; F170-K173 PolarHBondContact O-N 3.45Å; K171-K173 PolarHBondContact O-N 2.95Å |
| 174 | H | 81.4 | Confident | 80.1 | Confident | 20 Ų | 20 | 67.4 Ų | 67.4 | 9% | 0.093 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -102 | -22.8 | -170.8 | -56 | 115.2 | 0 | 0 | 0 | 113.8 | L149 V159 F170 | L149-H174 HydrophobicContact CD2-CB 4.47Å; V159-H174 HydrophobicContact CG1-CB 4.44Å; F170-H174 AromaticContact CD2-CE1 3.52Å; F170-H174 AromaticContact CD2-ND1 3.39Å; F170-H174 WeakPolarHBondContact CD2-ND1 3.39Å; F170-H174 AromaticContact CE2-CE1 3.47Å; F170-H174 VanDerWaalsContact CE2-CE1 3.47Å; F170-H174 WeakPolarHBondContact CE2-CE1 3.35Å; F170-H174 AromaticContact CE2-ND1 3.32Å; F170-H174 VanDerWaalsContact CE2-ND1 3.32Å; F170-H174 WeakPolarHBondContact CE2-ND1 3.45Å; F170-H174 AromaticContact CG-ND1 3.88Å; F170-H174 AromaticContact CZ-ND1 3.75Å; F170-H174 PolarHBondContact O-N 3.15Å; F170-H174 PolarHBondContact O-ND1 3.1Å |
| 175 | F | 82 | Confident | 79.8 | Confident | 1 Ų | 1 | 66 Ų | 66 | 0% | 0.004 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -117.1 | 28.4 | -175.3 | -54.5 | -95.4 | 0 | 0 | 0 | 112.2 | L149 Y151 F170 K171 D177 E178 I179 V186 L188 C229 | L149-F175 HydrophobicContact CD2-CE1 4.13Å; L149-F175 HydrophobicContact CD2-CE2 3.83Å; L149-F175 HydrophobicContact CD2-CZ 3.35Å; L149-F175 HydrophobicContact CG-CZ 4.18Å; Y151-F175 AromaticContact CE1-CE1 3.97Å; Y151-F175 HydrophobicContact CE1-CE1 3.97Å; F170-F175 HydrophobicContact CE1-CE2 4.16Å; K171-F175 WeakPolarHBondContact O-CB 3.19Å; K171-F175 PolarHBondContact O-N 2.86Å; F175-D177 VanDerWaalsContact C-N 3.33Å; F175-D177 PolarHBondContact O-N 2.92Å; F175-E178 HydrophobicContact CB-CB 4.41Å; F175-E178 WeakPolarHBondContact CD1-OE1 3.16Å; F175-E178 WeakPolarHBondContact CD1-OE2 3.06Å; F175-E178 PolarHBondContact O-N 3.27Å; F175-I179 HydrophobicContact CB-CD1 3.81Å; F175-I179 HydrophobicContact CB-CG1 4.12Å; F175-I179 VanDerWaalsContact O-CB 3.32Å; F175-I179 WeakPolarHBondContact O-CB 3.48Å; F175-I179 VanDerWaalsContact O-CG1 3.24Å; F175-I179 WeakPolarHBondContact O-CG1 3.5Å; F175-I179 PolarHBondContact O-N 3.45Å; F175-V186 HydrophobicContact CB-CG2 4.03Å; F175-V186 HydrophobicContact CD1-CB 4.44Å; F175-V186 HydrophobicContact CD1-CG1 3.63Å; F175-V186 HydrophobicContact CD1-CG2 3.95Å; F175-V186 HydrophobicContact CD2-CG1 4.2Å; F175-V186 HydrophobicContact CE1-CG1 3.75Å; F175-V186 HydrophobicContact CE2-CG1 4.3Å; F175-V186 HydrophobicContact CG-CG1 3.86Å; F175-V186 HydrophobicContact CG-CG2 4.16Å; F175-V186 HydrophobicContact CZ-CG1 4.08Å; F175-L188 HydrophobicContact CE1-CD2 4.37Å; F175-L188 HydrophobicContact CE2-CD1 4.39Å; F175-L188 HydrophobicContact CE2-CD2 3.79Å; F175-L188 HydrophobicContact CZ-CD2 3.53Å; F175-C229 HydrophobicContact CE1-CB 4.2Å; F175-C229 HydrophobicContact CZ-CB 4.22Å |
| 176 | V | 74.8 | Confident | 79.7 | Confident | 56 Ų | 56 | 65.7 Ų | 65.7 | 34% | 0.339 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -56.1 | -50 | 179.6 | -179.1 | 0 | 0 | 0 | 0 | 110.4 | K172 E178 I179 I180 | K172-V176 WeakPolarHBondContact O-CG2 3.49Å; V176-E178 PolarHBondContact O-N 3.08Å; V176-I179 PolarHBondContact O-N 3.28Å; V176-I180 HydrophobicContact CG1-CD1 3.8Å; V176-I180 HydrophobicContact CG1-CG1 4.39Å; V176-I180 VanDerWaalsContact O-CB 3.29Å; V176-I180 WeakPolarHBondContact O-CB 3.1Å; V176-I180 WeakPolarHBondContact O-CG1 3.35Å; V176-I180 PolarHBondContact O-N 3.1Å |
| 177 | D | 72.6 | Confident | 79.6 | Confident | 98 Ų | 98 | 67.8 Ų | 67.8 | 52% | 0.524 | 32% | 0.318 | S | S | . | . | I | π-helix | trans | -68.7 | -37.4 | -176 | -54.9 | -58.6 | 0 | 0 | 0 | 112.3 | F175 N181 Q182 | F175-D177 VanDerWaalsContact C-N 3.33Å; F175-D177 PolarHBondContact O-N 2.92Å; D177-N181 WeakPolarHBondContact CA-ND2 3.44Å; D177-N181 WeakPolarHBondContact O-CA 3.39Å; D177-N181 WeakPolarHBondContact O-CB 3.22Å; D177-N181 PolarHBondContact O-N 3.02Å; D177-N181 PolarHBondContact OD1-ND2 2.99Å; D177-Q182 PolarHBondContact O-N 3.44Å |
| 178 | E | 70.5 | Confident | 79.6 | Confident | 28 Ų | 28 | 67.8 Ų | 67.8 | 13% | 0.131 | 32% | 0.318 | C | S | . | . | I | π-helix | trans | -69.5 | -42.5 | 178.3 | -60.7 | 177.1 | -138 | 0 | 0 | 111.7 | Y151 F175 V176 Q182 K183 K184 V186 V231 | Y151-E178 WeakPolarHBondContact CE1-OE1 3.34Å; Y151-E178 PolarHBondContact OH-OE1 3.47Å; F175-E178 HydrophobicContact CB-CB 4.41Å; F175-E178 WeakPolarHBondContact CD1-OE1 3.16Å; F175-E178 WeakPolarHBondContact CD1-OE2 3.06Å; F175-E178 PolarHBondContact O-N 3.27Å; V176-E178 PolarHBondContact O-N 3.08Å; E178-Q182 CarbonylContact O-C 3.54Å; E178-Q182 WeakPolarHBondContact O-CB 3.48Å; E178-Q182 PolarHBondContact O-N 3.4Å; E178-K183 PolarHBondContact O-N 3.13Å; E178-K184 PolarHBondContact O-N 2.87Å; E178-V186 HydrophobicContact CB-CG2 4.49Å; E178-V231 WeakPolarHBondContact OE2-CG1 3.41Å; E178-V231 WeakPolarHBondContact OE2-CG2 3.29Å |
| 179 | I | 70.2 | Confident | 79.8 | Confident | 62 Ų | 62 | 68.2 Ų | 68.2 | 32% | 0.318 | 32% | 0.32 | S | S | . | . | I | π-helix | trans | -79.4 | -42.1 | -177.6 | -64.1 | 168.3 | 0 | 0 | 0 | 111.7 | K171 F175 V176 K183 V186 | K171-I179 HydrophobicContact CB-CD1 4.21Å; F175-I179 HydrophobicContact CB-CD1 3.81Å; F175-I179 HydrophobicContact CB-CG1 4.12Å; F175-I179 VanDerWaalsContact O-CB 3.32Å; F175-I179 WeakPolarHBondContact O-CB 3.48Å; F175-I179 VanDerWaalsContact O-CG1 3.24Å; F175-I179 WeakPolarHBondContact O-CG1 3.5Å; F175-I179 PolarHBondContact O-N 3.45Å; V176-I179 PolarHBondContact O-N 3.28Å; I179-K183 VanDerWaalsContact O-CA 3.26Å; I179-K183 WeakPolarHBondContact O-CA 3.26Å; I179-V186 HydrophobicContact CD1-CB 4.44Å; I179-V186 HydrophobicContact CD1-CG2 4.15Å; I179-V186 HydrophobicContact CG1-CB 4.46Å; I179-V186 HydrophobicContact CG1-CG2 3.74Å |
| 180 | I | 68.8 | Low | 80 | Confident | 116 Ų | 116 | 60.3 Ų | 60.3 | 60% | 0.595 | 29% | 0.29 | S | S | * | . | I | π-helix | trans | -86.8 | -51.8 | -175.3 | -58.1 | -174.8 | 0 | 0 | 0 | 111.1 | V176 | V176-I180 HydrophobicContact CG1-CD1 3.8Å; V176-I180 HydrophobicContact CG1-CG1 4.39Å; V176-I180 VanDerWaalsContact O-CB 3.29Å; V176-I180 WeakPolarHBondContact O-CB 3.1Å; V176-I180 WeakPolarHBondContact O-CG1 3.35Å; V176-I180 PolarHBondContact O-N 3.1Å |
| 181 | N | 70 | Confident | 80.1 | Confident | 117 Ų | 117 | 67 Ų | 67 | 63% | 0.626 | 32% | 0.321 | S | S | * | . | I | π-helix | trans | -81.1 | -41.1 | -172.9 | -51.1 | -32.7 | 0 | 0 | 0 | 111.4 | D177 | D177-N181 WeakPolarHBondContact CA-ND2 3.44Å; D177-N181 WeakPolarHBondContact O-CA 3.39Å; D177-N181 WeakPolarHBondContact O-CB 3.22Å; D177-N181 PolarHBondContact O-N 3.02Å; D177-N181 PolarHBondContact OD1-ND2 2.99Å |
| 182 | Q | 67.7 | Low | 80.1 | Confident | 101 Ų | 101 | 69.2 Ų | 69.2 | 47% | 0.472 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -96 | -3.7 | -177.7 | -49.3 | -178.9 | 8.2 | 0 | 0 | 113.6 | D177 E178 K184 | D177-Q182 PolarHBondContact O-N 3.44Å; E178-Q182 CarbonylContact O-C 3.54Å; E178-Q182 WeakPolarHBondContact O-CB 3.48Å; E178-Q182 PolarHBondContact O-N 3.4Å; Q182-K184 HydrophobicContact CB-CD 4.12Å; Q182-K184 HydrophobicContact CB-CG 3.85Å; Q182-K184 PolarHBondContact O-N 3.3Å; Q182-K184 VanDerWaalsContact O-N 3.08Å |
| 183 | K | 67.7 | Low | 80.2 | Confident | 145 Ų | 145 | 71.7 Ų | 71.7 | 63% | 0.63 | 36% | 0.359 | S | S | * | . | trans | 55.7 | 13 | -173.9 | -65.2 | -174.4 | 176.5 | -180 | 0 | 115.3 | E178 I179 P234 | E178-K183 PolarHBondContact O-N 3.13Å; I179-K183 VanDerWaalsContact O-CA 3.26Å; I179-K183 WeakPolarHBondContact O-CA 3.26Å; K183-P234 HydrophobicContact CB-CG 4.11Å; K183-P234 WeakPolarHBondContact O-CD 3.46Å; K183-P234 WeakPolarHBondContact O-CG 3.41Å | ||
| 184 | K | 77.9 | Confident | 80.4 | Confident | 60 Ų | 60 | 68.3 Ų | 68.3 | 26% | 0.261 | 35% | 0.345 | S | S | . | . | trans | -70.9 | 141.4 | -169 | -66.2 | -174.7 | -175 | 163.6 | 0 | 112.5 | E178 Q182 V186 V231 T232 T233 | E178-K184 PolarHBondContact O-N 2.87Å; Q182-K184 HydrophobicContact CB-CD 4.12Å; Q182-K184 HydrophobicContact CB-CG 3.85Å; Q182-K184 PolarHBondContact O-N 3.3Å; Q182-K184 VanDerWaalsContact O-N 3.08Å; K184-V186 PolarHBondContact O-N 3.43Å; K184-V231 HydrophobicContact CB-CG1 3.62Å; K184-V231 HydrophobicContact CD-CG1 3.57Å; K184-V231 HydrophobicContact CG-CG1 4.22Å; K184-T232 CarbonylContact C-O 3.47Å; K184-T232 WeakPolarHBondContact CA-O 3.37Å; K184-T232 WeakPolarHBondContact CB-O 2.94Å; K184-T233 HydrophobicContact CD-CG2 4.41Å; K184-T233 HydrophobicContact CG-CG2 4.26Å | ||
| 185 | N | 79.9 | Confident | 80.8 | Confident | 63 Ų | 63 | 67.4 Ų | 67.4 | 34% | 0.337 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 115.7 | 171.4 | -77.6 | -34.7 | 0 | 0 | 0 | 109.4 | T232 | N185-T232 PolarHBondContact N-O 2.9Å; N185-T232 PolarHBondContact O-N 3.27Å; N185-T232 PolarHBondContact O-OG1 2.68Å |
| 186 | V | 85.8 | Confident | 81 | Confident | 12 Ų | 12 | 69.6 Ų | 69.6 | 7% | 0.073 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 109.2 | 179.5 | -179.1 | 0 | 0 | 0 | 0 | 110.3 | K171 F175 E178 I179 K184 L188 V231 | K171-V186 WeakPolarHBondContact CE-O 3.24Å; K171-V186 PolarHBondContact NZ-O 3.46Å; F175-V186 HydrophobicContact CB-CG2 4.03Å; F175-V186 HydrophobicContact CD1-CB 4.44Å; F175-V186 HydrophobicContact CD1-CG1 3.63Å; F175-V186 HydrophobicContact CD1-CG2 3.95Å; F175-V186 HydrophobicContact CD2-CG1 4.2Å; F175-V186 HydrophobicContact CE1-CG1 3.75Å; F175-V186 HydrophobicContact CE2-CG1 4.3Å; F175-V186 HydrophobicContact CG-CG1 3.86Å; F175-V186 HydrophobicContact CG-CG2 4.16Å; F175-V186 HydrophobicContact CZ-CG1 4.08Å; E178-V186 HydrophobicContact CB-CG2 4.49Å; I179-V186 HydrophobicContact CD1-CB 4.44Å; I179-V186 HydrophobicContact CD1-CG2 4.15Å; I179-V186 HydrophobicContact CG1-CB 4.46Å; I179-V186 HydrophobicContact CG1-CG2 3.74Å; K184-V186 PolarHBondContact O-N 3.43Å; V186-L188 HydrophobicContact CG1-CD2 3.84Å; V186-L188 HydrophobicContact CG1-CG 4.17Å; V186-V231 HydrophobicContact CG2-CG1 4.33Å |
| 187 | R | 88.2 | Confident | 81.5 | Confident | 63 Ų | 63 | 68.2 Ų | 68.2 | 24% | 0.238 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 130.6 | 170.9 | -60.4 | -175.5 | 68 | -164.4 | 3 | 108.5 | E194 L230 | R187-E194 VanDerWaalsContact CB-OE1 3.28Å; R187-E194 WeakPolarHBondContact CB-OE1 3.47Å; R187-E194 WeakPolarHBondContact CG-OE1 3.18Å; R187-E194 IonicContact CZ-OE1 3.89Å; R187-E194 IonicContact CZ-OE2 3.36Å; R187-E194 IonicContact NE-OE1 2.94Å; R187-E194 PolarHBondContact NE-OE1 2.99Å; R187-E194 IonicContact NE-OE2 3.18Å; R187-E194 PolarHBondContact NE-OE2 2.94Å; R187-E194 IonicContact NH2-OE1 3.95Å; R187-E194 IonicContact NH2-OE2 2.7Å; R187-E194 PolarHBondContact NH2-OE2 2.81Å; R187-L230 HydrophobicContact CB-CB 4.23Å; R187-L230 PolarHBondContact N-O 3.45Å; R187-L230 PolarHBondContact O-N 3.31Å |
| 188 | L | 90.4 | Very high | 81.8 | Confident | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 129.4 | -178.7 | -62.1 | 177.7 | 0 | 0 | 0 | 107.9 | V167 F170 K171 F175 V186 E194 L195 I227 H228 C229 | V167-L188 HydrophobicContact CG1-CD1 4.49Å; F170-L188 HydrophobicContact CD1-CD1 3.71Å; F170-L188 HydrophobicContact CE1-CD1 3.84Å; K171-L188 HydrophobicContact CD-CD1 4.27Å; K171-L188 HydrophobicContact CG-CD1 3.59Å; K171-L188 HydrophobicContact CG-CG 4.33Å; F175-L188 HydrophobicContact CE1-CD2 4.37Å; F175-L188 HydrophobicContact CE2-CD1 4.39Å; F175-L188 HydrophobicContact CE2-CD2 3.79Å; F175-L188 HydrophobicContact CZ-CD2 3.53Å; V186-L188 HydrophobicContact CG1-CD2 3.84Å; V186-L188 HydrophobicContact CG1-CG 4.17Å; L188-E194 CarbonylContact O-C 3.56Å; L188-E194 WeakPolarHBondContact O-CA 3.47Å; L188-L195 HydrophobicContact CB-CB 4.03Å; L188-L195 HydrophobicContact CB-CD1 3.91Å; L188-L195 HydrophobicContact CB-CG 4.33Å; L188-L195 PolarHBondContact O-N 3.2Å; L188-I227 HydrophobicContact CB-CG2 3.99Å; L188-I227 HydrophobicContact CD2-CG2 4.28Å; L188-H228 CarbonylContact C-O 3.46Å; L188-H228 WeakPolarHBondContact CA-O 3.5Å; L188-C229 HydrophobicContact CD2-CB 4.15Å; L188-C229 VanDerWaalsContact CD2-SG 3.5Å |
| 189 | I | 91.8 | Very high | 81.7 | Confident | 53 Ų | 53 | 68.2 Ų | 68.2 | 27% | 0.272 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 126.8 | -170.9 | -55.7 | 171.2 | 0 | 0 | 0 | 109 | R193 H228 | I189-R193 WeakPolarHBondContact CA-O 3.21Å; I189-H228 HydrophobicContact CB-CB 4.25Å; I189-H228 PolarHBondContact N-O 3.35Å; I189-H228 PolarHBondContact O-N 2.86Å |
| 190 | F | 92.6 | Very high | 81.4 | Confident | 12 Ų | 12 | 70.8 Ų | 70.8 | 5% | 0.053 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 130.1 | 179.3 | -177 | -109.9 | 0 | 0 | 0 | 109.5 | G192 R193 L195 Y219 V221 T226 I227 | F190-G192 PolarHBondContact O-N 3.32Å; F190-G192 VanDerWaalsContact O-N 3.17Å; F190-R193 PolarHBondContact N-O 3.08Å; F190-R193 WeakPolarHBondContact O-CB 3.47Å; F190-R193 PolarHBondContact O-N 2.95Å; F190-R193 VanDerWaalsContact O-O 3.1Å; F190-L195 HydrophobicContact CB-CD1 4.07Å; F190-L195 HydrophobicContact CB-CD2 4.06Å; F190-L195 HydrophobicContact CB-CG 4.16Å; F190-Y219 WeakPolarHBondContact CD1-O 3.24Å; F190-Y219 WeakPolarHBondContact CE1-O 3.48Å; F190-V221 HydrophobicContact CD1-CG2 3.76Å; F190-V221 HydrophobicContact CD2-CG2 4.4Å; F190-V221 HydrophobicContact CE1-CB 4.5Å; F190-V221 HydrophobicContact CE1-CG2 3.82Å; F190-V221 HydrophobicContact CE2-CG2 4.47Å; F190-V221 HydrophobicContact CG-CG2 4.05Å; F190-V221 HydrophobicContact CZ-CG2 4.19Å; F190-T226 WeakPolarHBondContact CD2-O 3.49Å; F190-I227 HydrophobicContact CD2-CG1 4.09Å |
| 191 | Q | 90.2 | Very high | 80.9 | Confident | 141 Ų | 141 | 71.8 Ų | 71.8 | 66% | 0.659 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.7 | 40 | -178.3 | -60.8 | 179.5 | -2.3 | 0 | 0 | 113.9 | R193 | Q191-R193 PolarHBondContact O-N 3.19Š|
| 192 | G | 88.3 | Confident | 80.2 | Confident | 78 Ų | 78 | 70.5 Ų | 70.5 | 80% | 0.804 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.4 | 4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | F190 | F190-G192 PolarHBondContact O-N 3.32Å; F190-G192 VanDerWaalsContact O-N 3.17Å |
| 193 | R | 88.4 | Confident | 79.6 | Confident | 169 Ų | 169 | 69 Ų | 69 | 64% | 0.638 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 138.4 | 176.9 | -60.4 | 179.5 | -179.2 | -177.7 | 0.9 | 110.1 | I189 F190 Q191 | I189-R193 WeakPolarHBondContact CA-O 3.21Å; F190-R193 PolarHBondContact N-O 3.08Å; F190-R193 WeakPolarHBondContact O-CB 3.47Å; F190-R193 PolarHBondContact O-N 2.95Å; F190-R193 VanDerWaalsContact O-O 3.1Å; Q191-R193 PolarHBondContact O-N 3.19Å |
| 194 | E | 89.3 | Confident | 78.9 | Confident | 40 Ų | 40 | 68.5 Ų | 68.5 | 19% | 0.187 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 138.1 | 167.2 | -176.7 | 157.9 | -158.7 | 0 | 0 | 110.1 | R187 L188 L196 Y219 | R187-E194 VanDerWaalsContact CB-OE1 3.28Å; R187-E194 WeakPolarHBondContact CB-OE1 3.47Å; R187-E194 WeakPolarHBondContact CG-OE1 3.18Å; R187-E194 IonicContact CZ-OE1 3.89Å; R187-E194 IonicContact CZ-OE2 3.36Å; R187-E194 IonicContact NE-OE1 2.94Å; R187-E194 PolarHBondContact NE-OE1 2.99Å; R187-E194 IonicContact NE-OE2 3.18Å; R187-E194 PolarHBondContact NE-OE2 2.94Å; R187-E194 IonicContact NH2-OE1 3.95Å; R187-E194 IonicContact NH2-OE2 2.7Å; R187-E194 PolarHBondContact NH2-OE2 2.81Å; L188-E194 CarbonylContact O-C 3.56Å; L188-E194 WeakPolarHBondContact O-CA 3.47Å; E194-L196 HydrophobicContact CB-CD1 3.99Å; E194-L196 HydrophobicContact CG-CD1 4.01Å; E194-L196 HydrophobicContact CG-CG 4.35Å; E194-L196 WeakPolarHBondContact O-CD1 3.43Å; E194-L196 PolarHBondContact O-N 2.71Å; E194-Y219 WeakPolarHBondContact O-CE1 2.99Å; E194-Y219 PolarHBondContact O-OH 3.41Å |
| 195 | L | 89.9 | Confident | 77.5 | Confident | 1 Ų | 1 | 72.3 Ų | 72.3 | 1% | 0.005 | 38% | 0.379 | C | S | . | . | trans | -86 | 101.5 | 172.7 | -57.8 | 172 | 0 | 0 | 0 | 107.8 | V167 L188 F190 Y219 I227 | V167-L195 HydrophobicContact CG1-CB 3.87Å; V167-L195 WeakPolarHBondContact CG1-O 3.3Å; V167-L195 HydrophobicContact CG2-CB 4.1Å; L188-L195 HydrophobicContact CB-CB 4.03Å; L188-L195 HydrophobicContact CB-CD1 3.91Å; L188-L195 HydrophobicContact CB-CG 4.33Å; L188-L195 PolarHBondContact O-N 3.2Å; F190-L195 HydrophobicContact CB-CD1 4.07Å; F190-L195 HydrophobicContact CB-CD2 4.06Å; F190-L195 HydrophobicContact CB-CG 4.16Å; L195-Y219 HydrophobicContact CB-CE2 4.33Å; L195-Y219 HydrophobicContact CD2-CD1 3.56Å; L195-Y219 HydrophobicContact CD2-CD2 3.29Å; L195-Y219 HydrophobicContact CD2-CE1 3.94Å; L195-Y219 HydrophobicContact CD2-CE2 3.66Å; L195-Y219 HydrophobicContact CD2-CG 3.2Å; L195-I227 HydrophobicContact CD1-CD1 3.83Å; L195-I227 HydrophobicContact CD1-CG1 4.37Å; L195-I227 HydrophobicContact CD1-CG2 3.86Å | ||
| 196 | L | 86.7 | Confident | 76.2 | Confident | 47 Ų | 47 | 78.4 Ų | 78.4 | 25% | 0.246 | 41% | 0.405 | C | S | . | . | trans | -99.1 | 153.3 | 171.3 | -63.8 | 98.4 | 0 | 0 | 0 | 109.6 | E194 V198 Y219 | E194-L196 HydrophobicContact CB-CD1 3.99Å; E194-L196 HydrophobicContact CG-CD1 4.01Å; E194-L196 HydrophobicContact CG-CG 4.35Å; E194-L196 WeakPolarHBondContact O-CD1 3.43Å; E194-L196 PolarHBondContact O-N 2.71Å; L196-V198 WeakPolarHBondContact CB-O 3.43Å; L196-Y219 PolarHBondContact N-OH 2.7Å; L196-Y219 PolarHBondContact O-OH 2.65Å | ||
| 197 | D | 83.8 | Confident | 74.8 | Confident | 26 Ų | 26 | 80.9 Ų | 80.9 | 14% | 0.139 | 42% | 0.423 | C | S | . | . | S | Bend | trans | -81 | -21.9 | 173.8 | -165.4 | 59 | 0 | 0 | 0 | 112.2 | S166 N168 R213 Q214 | S166-D197 WeakPolarHBondContact CB-OD1 3.3Å; S166-D197 PolarHBondContact OG-OD1 3.36Å; N168-D197 HydrophobicContact CB-CB 3.66Å; N168-D197 WeakPolarHBondContact CB-OD1 3.5Å; N168-D197 WeakPolarHBondContact CB-OD2 3.38Å; N168-D197 PolarHBondContact N-OD1 2.93Å; N168-D197 PolarHBondContact ND2-OD2 2.66Å; D197-R213 CarbonylContact O-C 3.38Å; D197-R213 WeakPolarHBondContact O-CA 3.22Å; D197-Q214 PolarHBondContact O-N 3.43Å |
| 198 | V | 79.9 | Confident | 73.4 | Confident | 59 Ų | 59 | 82.1 Ų | 82.1 | 36% | 0.358 | 46% | 0.456 | S | S | . | . | B | Isolated β-bridge | trans | -132.9 | 130.9 | 178.6 | -179.7 | 0 | 0 | 0 | 0 | 108.2 | L196 Q200 P211 | L196-V198 WeakPolarHBondContact CB-O 3.43Å; V198-Q200 PolarHBondContact O-N 3.43Å; V198-P211 HydrophobicContact CG1-CB 3.96Å |
| 199 | L | 69.4 | Low | 71.9 | Confident | 68 Ų | 68 | 90.4 Ų | 90.4 | 36% | 0.356 | 49% | 0.487 | S | S | . | . | trans | -77.7 | 114.8 | 176.2 | -161.8 | 86.5 | 0 | 0 | 0 | 109.5 | N201 E202 | L199-N201 HydrophobicContact CD2-CB 4.16Å; L199-N201 PolarHBondContact O-N 3.3Å; L199-N201 VanDerWaalsContact O-N 3.12Å; L199-E202 HydrophobicContact CB-CG 4.32Å; L199-E202 HydrophobicContact CD2-CG 3.93Å; L199-E202 PolarHBondContact O-N 2.98Å | ||
| 200 | Q | 63.5 | Low | 70.6 | Confident | 115 Ų | 115 | 98.7 Ų | 98.7 | 54% | 0.537 | 52% | 0.515 | S | S | . | . | G | 310 helix | trans | -58.7 | -28.6 | -176.5 | -163.9 | 167.1 | 0.1 | 0 | 0 | 112.8 | V198 E202 A203 S262 | V198-Q200 PolarHBondContact O-N 3.43Å; Q200-E202 VanDerWaalsContact C-N 3.33Å; Q200-E202 PolarHBondContact O-N 3.12Å; Q200-A203 WeakPolarHBondContact O-CB 3.41Å; Q200-A203 PolarHBondContact O-N 3.44Å; Q200-S262 PolarHBondContact OE1-OG 2.86Å |
| 201 | N | 57.2 | Low | 69.2 | Low | 138 Ų | 138 | 102.1 Ų | 102.1 | 74% | 0.738 | 54% | 0.539 | S | S | * | . | G | 310 helix | trans | -71.2 | -21.2 | 176.8 | -64.7 | -3.4 | 0 | 0 | 0 | 114.2 | L199 | L199-N201 HydrophobicContact CD2-CB 4.16Å; L199-N201 PolarHBondContact O-N 3.3Å; L199-N201 VanDerWaalsContact O-N 3.12Å |
| 202 | E | 55.7 | Low | 68.2 | Low | 90 Ų | 90 | 103.3 Ų | 103.3 | 42% | 0.421 | 54% | 0.537 | S | S | . | . | G | 310 helix | trans | -85.6 | -18 | 174.3 | -66.8 | -123.6 | 136.2 | 0 | 0 | 112.2 | L199 Q200 N204 F205 | L199-E202 HydrophobicContact CB-CG 4.32Å; L199-E202 HydrophobicContact CD2-CG 3.93Å; L199-E202 PolarHBondContact O-N 2.98Å; Q200-E202 VanDerWaalsContact C-N 3.33Å; Q200-E202 PolarHBondContact O-N 3.12Å; E202-N204 PolarHBondContact O-N 3.35Å; E202-F205 PolarHBondContact O-N 3.5Å; E202-F205 VanDerWaalsContact O-N 3.16Å |
| 203 | A | 54.9 | Low | 67.8 | Low | 70 Ų | 70 | 107.2 Ų | 107.2 | 58% | 0.579 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -23.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113 | Q200 | Q200-A203 WeakPolarHBondContact O-CB 3.41Å; Q200-A203 PolarHBondContact O-N 3.44Å |
| 204 | N | 53.7 | Low | 67.7 | Low | 133 Ų | 133 | 101.2 Ų | 101.2 | 71% | 0.711 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97 | 6.3 | 178.1 | -64.9 | -4.1 | 0 | 0 | 0 | 113.1 | E202 H206 | E202-N204 PolarHBondContact O-N 3.35Å; N204-H206 PolarHBondContact O-CD2 3.27Å; N204-H206 PolarHBondContact O-N 3.27Å |
| 205 | F | 48.8 | Very low | 67.7 | Low | 140 Ų | 140 | 104.3 Ų | 104.3 | 61% | 0.614 | 52% | 0.517 | S | S | * | . | trans | -86.9 | 96 | 179.3 | -164.1 | -109.4 | 0 | 0 | 0 | 111.3 | E202 S207 | E202-F205 PolarHBondContact O-N 3.5Å; E202-F205 VanDerWaalsContact O-N 3.16Å; F205-S207 WeakPolarHBondContact CD1-OG 3.39Å; F205-S207 WeakPolarHBondContact CE1-OG 3.17Å; F205-S207 PolarHBondContact O-N 3.42Å | ||
| 206 | H | 52.3 | Low | 67.7 | Low | 191 Ų | 191 | 104.3 Ų | 104.3 | 88% | 0.884 | 52% | 0.516 | S | S | * | . | trans | -61.1 | 83.3 | 176.2 | -71 | -103.7 | 0 | 0 | 0 | 112.7 | N204 | N204-H206 PolarHBondContact O-CD2 3.27Å; N204-H206 PolarHBondContact O-N 3.27Å | ||
| 207 | S | 55.6 | Low | 67.8 | Low | 64 Ų | 64 | 104.2 Ų | 104.2 | 45% | 0.448 | 52% | 0.519 | S | S | . | . | S | Bend | trans | -168.7 | 54.3 | 163.7 | 54.3 | 0 | 0 | 0 | 0 | 114.6 | F205 R209 | F205-S207 WeakPolarHBondContact CD1-OG 3.39Å; F205-S207 WeakPolarHBondContact CE1-OG 3.17Å; F205-S207 PolarHBondContact O-N 3.42Å; S207-R209 PolarHBondContact O-N 2.71Å |
| 208 | G | 58.7 | Low | 67.9 | Low | 90 Ų | 90 | 105.8 Ų | 105.8 | 93% | 0.928 | 53% | 0.528 | S | S | * | . | trans | 61.6 | -2.3 | 161.7 | 0 | 0 | 0 | 0 | 0 | 118.6 | R210 | G208-R210 PolarHBondContact O-N 2.86Š| ||
| 209 | R | 60.3 | Low | 68.4 | Low | 173 Ų | 173 | 104.2 Ų | 104.2 | 65% | 0.653 | 52% | 0.516 | S | S | * | . | P | Polyproline II helix | trans | -74.4 | 127.7 | 178.3 | -74.2 | -173.4 | -179.6 | -177.3 | 3.7 | 109.9 | S207 | S207-R209 PolarHBondContact O-N 2.71Š|
| 210 | R | 62.7 | Low | 69.3 | Low | 228 Ų | 228 | 102.9 Ų | 102.9 | 86% | 0.86 | 52% | 0.518 | S | S | * | . | P | Polyproline II helix | trans | -56.1 | 138.4 | 168.8 | -65.7 | -174.7 | 178 | -166.5 | -0.6 | 109.4 | G208 R212 | G208-R210 PolarHBondContact O-N 2.86Å; R210-R212 PolarHBondContact O-N 3.49Å; R210-R212 VanDerWaalsContact O-N 3.13Å |
| 211 | P | 64.8 | Low | 70.5 | Confident | 84 Ų | 84 | 97.7 Ų | 97.7 | 55% | 0.545 | 49% | 0.494 | S | S | . | . | P | Polyproline II helix | trans | -56.6 | 121.5 | -179.8 | 22.4 | -33.3 | 0 | 0 | 0 | 109.8 | V198 R213 | V198-P211 HydrophobicContact CG1-CB 3.96Å; P211-R213 PolarHBondContact O-N 2.77Å |
| 212 | R | 68.4 | Low | 72.2 | Confident | 165 Ų | 165 | 95.1 Ų | 95.1 | 62% | 0.623 | 48% | 0.483 | S | S | * | . | P | Polyproline II helix | trans | -68.4 | 122.8 | 178.2 | -74.9 | -174.5 | 167.5 | -171.6 | -2.8 | 108.9 | R210 Q214 | R210-R212 PolarHBondContact O-N 3.49Å; R210-R212 VanDerWaalsContact O-N 3.13Å; R212-Q214 PolarHBondContact O-N 3.04Å |
| 213 | R | 80.4 | Confident | 73.9 | Confident | 161 Ų | 161 | 95.2 Ų | 95.2 | 61% | 0.608 | 49% | 0.487 | S | S | * | . | B | Isolated β-bridge | trans | -76.1 | 120.5 | 173.1 | -67.6 | -168.2 | -174.4 | -170.5 | 2.2 | 109.4 | D197 P211 | D197-R213 CarbonylContact O-C 3.38Å; D197-R213 WeakPolarHBondContact O-CA 3.22Å; P211-R213 PolarHBondContact O-N 2.77Å |
| 214 | Q | 86.3 | Confident | 75.6 | Confident | 42 Ų | 42 | 94.6 Ų | 94.6 | 20% | 0.196 | 49% | 0.487 | C | S | . | . | P | Polyproline II helix | trans | -74 | 131.3 | -175.9 | -158.9 | 69.8 | -0 | 0 | 0 | 110.2 | S166 V167 D197 R212 D218 Y219 | S166-Q214 WeakPolarHBondContact CA-O 3.47Å; V167-Q214 PolarHBondContact N-O 2.95Å; D197-Q214 PolarHBondContact O-N 3.43Å; R212-Q214 PolarHBondContact O-N 3.04Å; Q214-D218 HydrophobicContact CG-CB 4.14Å; Q214-D218 PolarHBondContact NE2-O 3.43Å; Q214-Y219 HydrophobicContact CB-CE2 3.9Å; Q214-Y219 HydrophobicContact CG-CD2 3.63Å; Q214-Y219 HydrophobicContact CG-CE2 3.16Å |
| 215 | R | 89.3 | Confident | 77.5 | Confident | 106 Ų | 106 | 88.9 Ų | 88.9 | 40% | 0.4 | 46% | 0.457 | S | S | . | . | B | Isolated β-bridge | trans | -98.1 | 161.4 | 178.5 | -54.6 | 165.6 | -65.1 | 177.4 | 8 | 110.7 | T164 M165 C217 D218 | T164-R215 WeakPolarHBondContact O-CD 3.44Å; T164-R215 WeakPolarHBondContact O-CG 3.41Å; M165-R215 VanDerWaalsContact O-CA 3.3Å; M165-R215 WeakPolarHBondContact O-CA 3.28Å; R215-C217 VanDerWaalsContact C-N 3.28Å; R215-C217 PolarHBondContact O-N 3.44Å; R215-D218 WeakPolarHBondContact CA-OD2 3.21Å; R215-D218 WeakPolarHBondContact CB-OD2 3.19Å; R215-D218 WeakPolarHBondContact CG-OD2 3.32Å; R215-D218 IonicContact CZ-OD1 3.18Å; R215-D218 IonicContact CZ-OD2 2.71Å; R215-D218 PolarHBondContact N-OD2 3.08Å; R215-D218 IonicContact NE-OD1 2.86Å; R215-D218 PolarHBondContact NE-OD1 3.38Å; R215-D218 IonicContact NE-OD2 3.39Å; R215-D218 PolarHBondContact NE-OD2 2.75Å; R215-D218 IonicContact NH2-OD1 2.71Å; R215-D218 PolarHBondContact NH2-OD1 2.99Å; R215-D218 IonicContact NH2-OD2 3.27Å; R215-D218 WeakPolarHBondContact O-CB 3.23Å; R215-D218 PolarHBondContact O-N 2.75Å |
| 216 | L | 88.9 | Confident | 79.6 | Confident | 0 Ų | 0 | 84.8 Ų | 84.8 | 0% | 0 | 44% | 0.444 | C | S | . | . | S | Bend | trans | -58.3 | -40.7 | 177.3 | -89.1 | 66.3 | 0 | 0 | 0 | 111.6 | I147 A161 M165 V167 F170 D218 Y219 V221 | I147-L216 HydrophobicContact CD1-CD2 3.61Å; A161-L216 HydrophobicContact CB-CD2 4.17Å; M165-L216 VanDerWaalsContact O-CD1 3.3Å; M165-L216 WeakPolarHBondContact O-CD1 3.46Å; M165-L216 PolarHBondContact O-N 2.94Å; V167-L216 HydrophobicContact CG2-CD1 4.06Å; F170-L216 HydrophobicContact CB-CD1 3.87Å; F170-L216 HydrophobicContact CB-CD2 4.47Å; F170-L216 HydrophobicContact CD2-CD2 3.65Å; F170-L216 HydrophobicContact CE2-CD2 3.93Å; F170-L216 HydrophobicContact CG-CD1 4.21Å; F170-L216 HydrophobicContact CG-CD2 4.06Å; L216-D218 VanDerWaalsContact C-N 3.27Å; L216-D218 PolarHBondContact O-N 3.41Å; L216-Y219 PolarHBondContact O-N 3.25Å; L216-V221 HydrophobicContact CB-CB 4.18Å; L216-V221 HydrophobicContact CB-CG2 4.44Å; L216-V221 WeakPolarHBondContact O-CB 3.19Å; L216-V221 WeakPolarHBondContact O-CG2 3.37Å; L216-V221 PolarHBondContact O-N 3.16Å |
| 217 | C | 88.5 | Confident | 81.6 | Confident | 45 Ų | 45 | 75.7 Ų | 75.7 | 30% | 0.304 | 40% | 0.402 | S | S | . | . | G | 310 helix | trans | -60.8 | -32.7 | 173.8 | 61 | 0 | 0 | 0 | 0 | 113.7 | P163 R215 Y219 G220 | P163-C217 HydrophobicContact CB-CB 4.08Å; P163-C217 WeakPolarHBondContact O-CB 3.11Å; P163-C217 PolarHBondContact O-N 3.26Å; P163-C217 PolarHBondContact O-SG 2.73Å; P163-C217 VanDerWaalsContact O-SG 3.34Å; R215-C217 VanDerWaalsContact C-N 3.28Å; R215-C217 PolarHBondContact O-N 3.44Å; C217-Y219 PolarHBondContact O-N 2.83Å; C217-G220 PolarHBondContact O-N 2.76Å |
| 218 | D | 87.7 | Confident | 83.4 | Confident | 60 Ų | 60 | 77.6 Ų | 77.6 | 32% | 0.321 | 40% | 0.404 | S | S | . | . | G | 310 helix | trans | -73.5 | -10.4 | -177.8 | -50.3 | -35.3 | 0 | 0 | 0 | 112.1 | Q214 R215 L216 | Q214-D218 HydrophobicContact CG-CB 4.14Å; Q214-D218 PolarHBondContact NE2-O 3.43Å; R215-D218 WeakPolarHBondContact CA-OD2 3.21Å; R215-D218 WeakPolarHBondContact CB-OD2 3.19Å; R215-D218 WeakPolarHBondContact CG-OD2 3.32Å; R215-D218 IonicContact CZ-OD1 3.18Å; R215-D218 IonicContact CZ-OD2 2.71Å; R215-D218 PolarHBondContact N-OD2 3.08Å; R215-D218 IonicContact NE-OD1 2.86Å; R215-D218 PolarHBondContact NE-OD1 3.38Å; R215-D218 IonicContact NE-OD2 3.39Å; R215-D218 PolarHBondContact NE-OD2 2.75Å; R215-D218 IonicContact NH2-OD1 2.71Å; R215-D218 PolarHBondContact NH2-OD1 2.99Å; R215-D218 IonicContact NH2-OD2 3.27Å; R215-D218 WeakPolarHBondContact O-CB 3.23Å; R215-D218 PolarHBondContact O-N 2.75Å; L216-D218 VanDerWaalsContact C-N 3.27Å; L216-D218 PolarHBondContact O-N 3.41Å |
| 219 | Y | 88.6 | Confident | 84.9 | Confident | 26 Ų | 26 | 73.5 Ų | 73.5 | 10% | 0.102 | 36% | 0.361 | C | S | . | . | G | 310 helix | trans | -99.9 | 0.8 | 169.5 | -77.9 | -78.6 | 0 | 0 | 0 | 113.6 | V167 F190 E194 L195 L196 Q214 L216 C217 | V167-Y219 HydrophobicContact CG2-CD2 4.26Å; V167-Y219 HydrophobicContact CG2-CE2 3.92Å; F190-Y219 WeakPolarHBondContact CD1-O 3.24Å; F190-Y219 WeakPolarHBondContact CE1-O 3.48Å; E194-Y219 WeakPolarHBondContact O-CE1 2.99Å; E194-Y219 PolarHBondContact O-OH 3.41Å; L195-Y219 HydrophobicContact CB-CE2 4.33Å; L195-Y219 HydrophobicContact CD2-CD1 3.56Å; L195-Y219 HydrophobicContact CD2-CD2 3.29Å; L195-Y219 HydrophobicContact CD2-CE1 3.94Å; L195-Y219 HydrophobicContact CD2-CE2 3.66Å; L195-Y219 HydrophobicContact CD2-CG 3.2Å; L196-Y219 PolarHBondContact N-OH 2.7Å; L196-Y219 PolarHBondContact O-OH 2.65Å; Q214-Y219 HydrophobicContact CB-CE2 3.9Å; Q214-Y219 HydrophobicContact CG-CD2 3.63Å; Q214-Y219 HydrophobicContact CG-CE2 3.16Å; L216-Y219 PolarHBondContact O-N 3.25Å; C217-Y219 PolarHBondContact O-N 2.83Å |
| 220 | G | 88.6 | Confident | 86.3 | Confident | 39 Ų | 39 | 67.6 Ų | 67.6 | 40% | 0.402 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.8 | 22.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | C217 T222 | C217-G220 PolarHBondContact O-N 2.76Å; G220-T222 PolarHBondContact O-N 3.39Å |
| 221 | V | 90.3 | Very high | 87.4 | Confident | 6 Ų | 6 | 58.5 Ų | 58.5 | 4% | 0.036 | 31% | 0.312 | C | S | . | . | trans | -74.3 | 120.6 | 176.3 | -178.1 | 0 | 0 | 0 | 0 | 110 | I147 F190 L216 I227 | I147-V221 HydrophobicContact CD1-CG1 3.7Å; I147-V221 HydrophobicContact CG1-CG1 4.18Å; F190-V221 HydrophobicContact CD1-CG2 3.76Å; F190-V221 HydrophobicContact CD2-CG2 4.4Å; F190-V221 HydrophobicContact CE1-CB 4.5Å; F190-V221 HydrophobicContact CE1-CG2 3.82Å; F190-V221 HydrophobicContact CE2-CG2 4.47Å; F190-V221 HydrophobicContact CG-CG2 4.05Å; F190-V221 HydrophobicContact CZ-CG2 4.19Å; L216-V221 HydrophobicContact CB-CB 4.18Å; L216-V221 HydrophobicContact CB-CG2 4.44Å; L216-V221 WeakPolarHBondContact O-CB 3.19Å; L216-V221 WeakPolarHBondContact O-CG2 3.37Å; L216-V221 PolarHBondContact O-N 3.16Å; V221-I227 HydrophobicContact CG1-CD1 4.24Å; V221-I227 HydrophobicContact CG2-CD1 4.37Å | ||
| 222 | T | 91 | Very high | 88.3 | Confident | 84 Ų | 84 | 57.2 Ų | 57.2 | 52% | 0.515 | 30% | 0.302 | S | S | . | . | trans | -115.5 | 178.5 | -178.8 | 58.1 | 0 | 0 | 0 | 0 | 112.2 | G220 S225 | G220-T222 PolarHBondContact O-N 3.39Å; T222-S225 PolarHBondContact N-OG 3.39Å; T222-S225 WeakPolarHBondContact O-CB 3.13Å; T222-S225 PolarHBondContact O-N 3.11Å; T222-S225 PolarHBondContact O-OG 3.37Å; T222-S225 PolarHBondContact OG1-OG 3.03Å | ||
| 223 | D | 92.9 | Very high | 88.9 | Confident | 93 Ų | 93 | 54.1 Ų | 54.1 | 50% | 0.497 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | 138.5 | 171.7 | -162.4 | 33.2 | 0 | 0 | 0 | 110.7 | L145 V146 S225 | L145-D223 HydrophobicContact CD2-CB 3.91Å; V146-D223 PolarHBondContact N-OD1 2.94Å; D223-S225 PolarHBondContact O-N 2.96Å |
| 224 | G | 90.9 | Very high | 88.3 | Confident | 56 Ų | 56 | 48.2 Ų | 48.2 | 58% | 0.577 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.9 | 0.2 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | V146 | V146-G224 WeakPolarHBondContact O-CA 3.39Å; V146-G224 PolarHBondContact O-N 3.4Å |
| 225 | S | 92.9 | Very high | 87.3 | Confident | 13 Ų | 13 | 53.1 Ų | 53.1 | 9% | 0.091 | 32% | 0.317 | C | S | . | . | trans | -60 | 140.8 | 176.5 | -80.9 | 0 | 0 | 0 | 0 | 112.3 | I147 K148 T222 D223 | I147-S225 WeakPolarHBondContact CG2-O 3.04Å; K148-S225 PolarHBondContact N-O 2.89Å; T222-S225 PolarHBondContact N-OG 3.39Å; T222-S225 WeakPolarHBondContact O-CB 3.13Å; T222-S225 PolarHBondContact O-N 3.11Å; T222-S225 PolarHBondContact O-OG 3.37Å; T222-S225 PolarHBondContact OG1-OG 3.03Å; D223-S225 PolarHBondContact O-N 2.96Å | ||
| 226 | T | 93.4 | Very high | 85.8 | Confident | 54 Ų | 54 | 52.2 Ų | 52.2 | 33% | 0.331 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 123.9 | 174.5 | -59.9 | 0 | 0 | 0 | 0 | 110.9 | K148 Q150 F190 | K148-T226 HydrophobicContact CB-CG2 4.46Å; K148-T226 HydrophobicContact CD-CG2 4.33Å; K148-T226 HydrophobicContact CG-CG2 4.45Å; K148-T226 CarbonylContact O-C 3.51Å; K148-T226 VanDerWaalsContact O-CA 3.26Å; K148-T226 WeakPolarHBondContact O-CA 3.38Å; Q150-T226 HydrophobicContact CB-CG2 3.81Å; F190-T226 WeakPolarHBondContact CD2-O 3.49Å |
| 227 | I | 93.4 | Very high | 84 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 122.1 | 176.1 | -60.2 | -180 | 0 | 0 | 0 | 108.7 | I147 K148 L149 Q150 F170 L188 F190 L195 V221 C229 | I147-I227 HydrophobicContact CD1-CD1 4.5Å; I147-I227 HydrophobicContact CG2-CB 4.41Å; I147-I227 HydrophobicContact CG2-CD1 3.64Å; I147-I227 HydrophobicContact CG2-CG1 3.77Å; K148-I227 PolarHBondContact O-N 3.1Å; L149-I227 WeakPolarHBondContact CA-O 3.09Å; Q150-I227 PolarHBondContact N-O 3.49Å; F170-I227 HydrophobicContact CE1-CD1 4.49Å; F170-I227 HydrophobicContact CZ-CD1 4.37Å; L188-I227 HydrophobicContact CB-CG2 3.99Å; L188-I227 HydrophobicContact CD2-CG2 4.28Å; F190-I227 HydrophobicContact CD2-CG1 4.09Å; L195-I227 HydrophobicContact CD1-CD1 3.83Å; L195-I227 HydrophobicContact CD1-CG1 4.37Å; L195-I227 HydrophobicContact CD1-CG2 3.86Å; V221-I227 HydrophobicContact CG1-CD1 4.24Å; V221-I227 HydrophobicContact CG2-CD1 4.37Å; I227-C229 PolarHBondContact O-SG 3.45Å; I227-C229 VanDerWaalsContact O-SG 3.34Å |
| 228 | H | 92.7 | Very high | 81.9 | Confident | 105 Ų | 105 | 59.4 Ų | 59.4 | 49% | 0.486 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 130.5 | 175.1 | -67.4 | -91.5 | 0 | 0 | 0 | 110.1 | Q150 L188 I189 | Q150-H228 CarbonylContact O-C 3.51Å; Q150-H228 WeakPolarHBondContact O-CA 3.39Å; L188-H228 CarbonylContact C-O 3.46Å; L188-H228 WeakPolarHBondContact CA-O 3.5Å; I189-H228 HydrophobicContact CB-CB 4.25Å; I189-H228 PolarHBondContact N-O 3.35Å; I189-H228 PolarHBondContact O-N 2.86Å |
| 229 | C | 90.1 | Very high | 80 | Confident | 4 Ų | 4 | 61.9 Ų | 61.9 | 3% | 0.027 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 110.4 | -172.3 | -59 | 0 | 0 | 0 | 0 | 109.3 | L149 Q150 Y151 F175 L188 I227 | L149-C229 VanDerWaalsContact CG-SG 3.58Å; Q150-C229 PolarHBondContact O-N 3.04Å; Y151-C229 HydrophobicContact CD1-CB 4.12Å; Y151-C229 HydrophobicContact CE1-CB 4.37Å; Y151-C229 HydrophobicContact CG-CB 4.45Å; F175-C229 HydrophobicContact CE1-CB 4.2Å; F175-C229 HydrophobicContact CZ-CB 4.22Å; L188-C229 HydrophobicContact CD2-CB 4.15Å; L188-C229 VanDerWaalsContact CD2-SG 3.5Å; I227-C229 PolarHBondContact O-SG 3.45Å; I227-C229 VanDerWaalsContact O-SG 3.34Å |
| 230 | L | 89.8 | Confident | 77.8 | Confident | 49 Ų | 49 | 66.9 Ų | 66.9 | 26% | 0.257 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 120.5 | 176.7 | 173.5 | 64 | 0 | 0 | 0 | 108.8 | L152 R187 T232 | L152-L230 HydrophobicContact CD2-CD1 4.27Å; R187-L230 HydrophobicContact CB-CB 4.23Å; R187-L230 PolarHBondContact N-O 3.45Å; R187-L230 PolarHBondContact O-N 3.31Å; L230-T232 HydrophobicContact CD1-CG2 4.13Å; L230-T232 HydrophobicContact CD2-CG2 4.48Å; L230-T232 HydrophobicContact CG-CG2 4.11Å |
| 231 | V | 86 | Confident | 75.6 | Confident | 37 Ų | 37 | 76.3 Ų | 76.3 | 22% | 0.224 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 95 | -171.1 | -172.5 | 0 | 0 | 0 | 0 | 108.3 | Y151 E178 K184 V186 | Y151-V231 HydrophobicContact CD1-CG2 4.03Å; Y151-V231 HydrophobicContact CE1-CG2 4.02Å; E178-V231 WeakPolarHBondContact OE2-CG1 3.41Å; E178-V231 WeakPolarHBondContact OE2-CG2 3.29Å; K184-V231 HydrophobicContact CB-CG1 3.62Å; K184-V231 HydrophobicContact CD-CG1 3.57Å; K184-V231 HydrophobicContact CG-CG1 4.22Å; V186-V231 HydrophobicContact CG2-CG1 4.33Å |
| 232 | T | 84 | Confident | 73.4 | Confident | 57 Ų | 57 | 80 Ų | 80 | 35% | 0.35 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 143.3 | -177.7 | 51.7 | 0 | 0 | 0 | 0 | 111.4 | K184 N185 L230 | K184-T232 CarbonylContact C-O 3.47Å; K184-T232 WeakPolarHBondContact CA-O 3.37Å; K184-T232 WeakPolarHBondContact CB-O 2.94Å; N185-T232 PolarHBondContact N-O 2.9Å; N185-T232 PolarHBondContact O-N 3.27Å; N185-T232 PolarHBondContact O-OG1 2.68Å; L230-T232 HydrophobicContact CD1-CG2 4.13Å; L230-T232 HydrophobicContact CD2-CG2 4.48Å; L230-T232 HydrophobicContact CG-CG2 4.11Å |
| 233 | T | 80.2 | Confident | 71.3 | Confident | 100 Ų | 100 | 81.4 Ų | 81.4 | 61% | 0.613 | 49% | 0.489 | S | S | * | . | P | Polyproline II helix | trans | -68 | 131.6 | 168.1 | 45.3 | 0 | 0 | 0 | 0 | 109.4 | K184 V235 | K184-T233 HydrophobicContact CD-CG2 4.41Å; K184-T233 HydrophobicContact CG-CG2 4.26Å; T233-V235 PolarHBondContact O-N 3.39Å |
| 234 | P | 69 | Low | 69.3 | Low | 37 Ų | 37 | 81.2 Ų | 81.2 | 24% | 0.24 | 50% | 0.495 | C | S | . | . | P | Polyproline II helix | trans | -62.4 | 138.5 | 169.1 | 30.4 | -37.9 | 0 | 0 | 0 | 108.5 | K183 V236 | K183-P234 HydrophobicContact CB-CG 4.11Å; K183-P234 WeakPolarHBondContact O-CD 3.46Å; K183-P234 WeakPolarHBondContact O-CG 3.41Å; P234-V236 VanDerWaalsContact C-N 3.27Å; P234-V236 HydrophobicContact CB-CG2 4.47Å; P234-V236 HydrophobicContact CG-CG2 4.06Å; P234-V236 PolarHBondContact O-N 2.96Å |
| 235 | V | 64.1 | Low | 67.5 | Low | 144 Ų | 144 | 84.4 Ų | 84.4 | 87% | 0.873 | 50% | 0.503 | S | S | * | . | trans | -71.4 | 93.5 | 163.5 | -177.3 | 0 | 0 | 0 | 0 | 106.3 | T233 S237 | T233-V235 PolarHBondContact O-N 3.39Å; V235-S237 PolarHBondContact O-N 2.91Å; V235-S237 VanDerWaalsContact O-N 3.09Å | ||
| 236 | V | 58.6 | Low | 65.5 | Low | 88 Ų | 88 | 91.1 Ų | 91.1 | 53% | 0.533 | 54% | 0.538 | S | S | . | . | trans | -73.6 | 98.6 | 170.8 | -179.8 | 0 | 0 | 0 | 0 | 106.9 | P234 S238 | P234-V236 VanDerWaalsContact C-N 3.27Å; P234-V236 HydrophobicContact CB-CG2 4.47Å; P234-V236 HydrophobicContact CG-CG2 4.06Å; P234-V236 PolarHBondContact O-N 2.96Å; V236-S238 PolarHBondContact O-N 2.9Å; V236-S238 VanDerWaalsContact O-N 3.15Å | ||
| 237 | S | 51.4 | Low | 63.2 | Low | 101 Ų | 101 | 96.1 Ų | 96.1 | 71% | 0.706 | 56% | 0.563 | S | S | * | * | trans | -54.5 | 117.1 | 157 | 39.9 | 0 | 0 | 0 | 0 | 107.6 | V235 P239 | V235-S237 PolarHBondContact O-N 2.91Å; V235-S237 VanDerWaalsContact O-N 3.09Å; S237-P239 VanDerWaalsContact O-CD 3.26Å; S237-P239 WeakPolarHBondContact O-CD 3.45Å | ||
| 238 | S | 43.9 | Very low | 61.1 | Low | 95 Ų | 95 | 101.7 Ų | 101.7 | 66% | 0.664 | 60% | 0.601 | S | S | * | * | trans | -70.5 | 117.7 | -165.9 | 50.9 | 0 | 0 | 0 | 0 | 111.9 | V236 T240 | V236-S238 PolarHBondContact O-N 2.9Å; V236-S238 VanDerWaalsContact O-N 3.15Å; S238-T240 PolarHBondContact O-N 3.36Å | ||
| 239 | P | 48.1 | Very low | 58.8 | Low | 112 Ų | 112 | 100.2 Ų | 100.2 | 73% | 0.727 | 62% | 0.615 | S | S | * | * | trans | -81.3 | 99.9 | 173.8 | 32 | -31 | 0 | 0 | 0 | 109.8 | S237 R241 | S237-P239 VanDerWaalsContact O-CD 3.26Å; S237-P239 WeakPolarHBondContact O-CD 3.45Å; P239-R241 PolarHBondContact O-N 3.2Å | ||
| 240 | T | 42 | Very low | 56.7 | Low | 131 Ų | 131 | 107.8 Ų | 107.8 | 80% | 0.804 | 66% | 0.655 | S | S | * | * | trans | -72.2 | 124.1 | -179 | -60.4 | 0 | 0 | 0 | 0 | 111.7 | S238 | S238-T240 PolarHBondContact O-N 3.36Š| ||
| 241 | R | 42.6 | Very low | 54.3 | Low | 237 Ų | 237 | 111.9 Ų | 111.9 | 89% | 0.894 | 68% | 0.682 | S | S | * | * | trans | -73.6 | 136.2 | -177.2 | -76.2 | 167.4 | 150.2 | 164.9 | -9.6 | 113.9 | P239 | P239-R241 PolarHBondContact O-N 3.2Š| ||
| 242 | S | 43.7 | Very low | 52.1 | Low | 83 Ų | 83 | 113.2 Ų | 113.2 | 58% | 0.58 | 70% | 0.704 | S | S | * | * | trans | 179.3 | 103.9 | 136.8 | 54 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 243 | S | 48.7 | Very low | 49.7 | Very low | 113 Ų | 113 | 122.3 Ų | 122.3 | 79% | 0.79 | 73% | 0.732 | S | S | * | * | 71.6 | 82.5 | 75.2 | 73.1 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 244 | S | 50.7 | Low | 47.8 | Very low | 89 Ų | 89 | 124.7 Ų | 124.7 | 62% | 0.622 | 74% | 0.741 | S | S | * | * | trans | 168.6 | 106.3 | 141.1 | 56.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 245 | V | 53.3 | Low | 46.4 | Very low | 123 Ų | 123 | 131 Ų | 131 | 75% | 0.745 | 77% | 0.765 | S | S | * | * | 94.6 | 125.4 | 91.6 | 163.3 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 246 | N | 50.8 | Low | 45.2 | Very low | 154 Ų | 154 | 129.1 Ų | 129.1 | 82% | 0.824 | 76% | 0.758 | S | S | * | * | trans | 66.4 | 120.6 | 178.3 | -51.5 | -17.9 | 0 | 0 | 0 | 114.8 | ||||
| 247 | D | 44.8 | Very low | 44.6 | Very low | 160 Ų | 160 | 131.7 Ų | 131.7 | 86% | 0.856 | 76% | 0.762 | S | S | * | * | cis | -147.1 | 171 | 49 | -163.2 | 9.5 | 0 | 0 | 0 | 113.7 | ||||
| 248 | S | 47.9 | Very low | 44.4 | Very low | 116 Ų | 116 | 132.6 Ų | 132.6 | 81% | 0.811 | 77% | 0.766 | S | S | * | * | trans | -98.1 | 122 | -169.7 | -55.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 249 | G | 44.8 | Very low | 44.2 | Very low | 75 Ų | 75 | 133.8 Ų | 133.8 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | trans | -178.3 | 101.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 250 | N | 45.5 | Very low | 44.3 | Very low | 162 Ų | 162 | 132 Ų | 132 | 87% | 0.866 | 76% | 0.764 | S | S | * | * | trans | 75.2 | 125.7 | 155.1 | -151.3 | 9.1 | 0 | 0 | 0 | 119.9 | ||||
| 251 | T | 41.3 | Very low | 44.5 | Very low | 135 Ų | 135 | 128.1 Ų | 128.1 | 83% | 0.828 | 74% | 0.743 | S | S | * | * | trans | -83.1 | 117 | 178.7 | 44.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 252 | G | 37.9 | Very low | 45 | Very low | 66 Ų | 66 | 118.6 Ų | 118.6 | 68% | 0.68 | 71% | 0.712 | S | S | * | * | trans | -147.1 | 90.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | N254 | G252-N254 VanDerWaalsContact C-N 3.34Å; G252-N254 PolarHBondContact O-N 2.8Å | ||
| 253 | R | 34.5 | Very low | 45.1 | Very low | 247 Ų | 247 | 118.6 Ų | 118.6 | 93% | 0.932 | 71% | 0.706 | S | S | * | * | trans | -78.1 | 73.9 | -175.9 | -60.1 | -177.8 | -161.1 | 143.9 | 5.1 | 112.7 | F255 | R253-F255 PolarHBondContact O-N 2.83Š| ||
| 254 | N | 40.4 | Very low | 45.1 | Very low | 151 Ų | 151 | 116.1 Ų | 116.1 | 81% | 0.807 | 69% | 0.688 | S | S | * | * | trans | -93.9 | 85.6 | 169.3 | -73.8 | -14.8 | 0 | 0 | 0 | 110.4 | G252 S256 | G252-N254 VanDerWaalsContact C-N 3.34Å; G252-N254 PolarHBondContact O-N 2.8Å; N254-S256 PolarHBondContact O-N 3.47Å | ||
| 255 | F | 38.7 | Very low | 45 | Very low | 168 Ų | 168 | 117 Ų | 117 | 74% | 0.737 | 68% | 0.684 | S | S | * | * | trans | -76 | 78.3 | 171.1 | -159.1 | -86.2 | 0 | 0 | 0 | 109.2 | R253 F257 | R253-F255 PolarHBondContact O-N 2.83Å; F255-F257 HydrophobicContact CD1-CD1 4.41Å; F255-F257 HydrophobicContact CD1-CD2 4.11Å; F255-F257 HydrophobicContact CD1-CE1 4.12Å; F255-F257 AromaticContact CD1-CE2 3.79Å; F255-F257 HydrophobicContact CD1-CE2 3.79Å; F255-F257 HydrophobicContact CD1-CG 4.41Å; F255-F257 AromaticContact CD1-CZ 3.79Å; F255-F257 HydrophobicContact CD1-CZ 3.79Å; F255-F257 HydrophobicContact CE1-CD1 4.18Å; F255-F257 AromaticContact CE1-CE1 3.82Å; F255-F257 HydrophobicContact CE1-CE1 3.82Å; F255-F257 HydrophobicContact CE1-CE2 4.33Å; F255-F257 AromaticContact CE1-CZ 3.9Å; F255-F257 HydrophobicContact CE1-CZ 3.9Å; F255-F257 PolarHBondContact O-N 3.45Å | ||
| 256 | S | 40.2 | Very low | 44.8 | Very low | 105 Ų | 105 | 116.7 Ų | 116.7 | 73% | 0.734 | 68% | 0.677 | S | S | * | * | trans | -67.2 | 101.2 | 171.9 | 39.7 | 0 | 0 | 0 | 0 | 109.2 | N254 | N254-S256 PolarHBondContact O-N 3.47Š| ||
| 257 | F | 44.9 | Very low | 44.8 | Very low | 143 Ų | 143 | 111.9 Ų | 111.9 | 63% | 0.627 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 126 | 165.1 | -69.6 | -90.4 | 0 | 0 | 0 | 108.1 | F255 S259 | F255-F257 HydrophobicContact CD1-CD1 4.41Å; F255-F257 HydrophobicContact CD1-CD2 4.11Å; F255-F257 HydrophobicContact CD1-CE1 4.12Å; F255-F257 AromaticContact CD1-CE2 3.79Å; F255-F257 HydrophobicContact CD1-CE2 3.79Å; F255-F257 HydrophobicContact CD1-CG 4.41Å; F255-F257 AromaticContact CD1-CZ 3.79Å; F255-F257 HydrophobicContact CD1-CZ 3.79Å; F255-F257 HydrophobicContact CE1-CD1 4.18Å; F255-F257 AromaticContact CE1-CE1 3.82Å; F255-F257 HydrophobicContact CE1-CE1 3.82Å; F255-F257 HydrophobicContact CE1-CE2 4.33Å; F255-F257 AromaticContact CE1-CZ 3.9Å; F255-F257 HydrophobicContact CE1-CZ 3.9Å; F255-F257 PolarHBondContact O-N 3.45Å; F257-S259 PolarHBondContact O-N 3.46Å; F257-S259 VanDerWaalsContact O-N 3.15Å |
| 258 | P | 47.4 | Very low | 45 | Very low | 119 Ų | 119 | 111 Ų | 111 | 77% | 0.773 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 123.7 | 172.7 | 24.6 | -32.1 | 0 | 0 | 0 | 108 | S260 | P258-S260 PolarHBondContact O-N 3.42Å; P258-S260 VanDerWaalsContact O-N 3.1Å |
| 259 | S | 40.8 | Very low | 45.2 | Very low | 120 Ų | 120 | 111.9 Ų | 111.9 | 84% | 0.839 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -57 | 118.1 | 176.8 | -172.5 | 0 | 0 | 0 | 0 | 108.2 | F257 S261 | F257-S259 PolarHBondContact O-N 3.46Å; F257-S259 VanDerWaalsContact O-N 3.15Å; S259-S261 PolarHBondContact O-N 2.82Å; S259-S261 VanDerWaalsContact O-N 3.13Å |
| 260 | S | 50.1 | Low | 45.9 | Very low | 74 Ų | 74 | 111 Ų | 111 | 52% | 0.517 | 61% | 0.611 | S | S | . | * | P | Polyproline II helix | trans | -62.9 | 117.9 | -173.5 | 55.1 | 0 | 0 | 0 | 0 | 110 | P258 S262 | P258-S260 PolarHBondContact O-N 3.42Å; P258-S260 VanDerWaalsContact O-N 3.1Å; S260-S262 PolarHBondContact O-N 3.29Å |
| 261 | S | 46.7 | Very low | 46.9 | Very low | 51 Ų | 51 | 108.5 Ų | 108.5 | 36% | 0.357 | 60% | 0.597 | S | S | . | * | trans | -65.9 | 89.9 | -174.1 | 47.8 | 0 | 0 | 0 | 0 | 112.9 | S259 D263 S264 | S259-S261 PolarHBondContact O-N 2.82Å; S259-S261 VanDerWaalsContact O-N 3.13Å; S261-D263 PolarHBondContact O-N 2.76Å; S261-S264 PolarHBondContact O-N 3.38Å; S261-S264 VanDerWaalsContact O-N 3.08Å; S261-S264 PolarHBondContact OG-OG 3.34Å | ||
| 262 | S | 51.3 | Low | 48.2 | Very low | 36 Ų | 36 | 104 Ų | 104 | 25% | 0.252 | 58% | 0.577 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -53.3 | -26.1 | 149.7 | 41.6 | 0 | 0 | 0 | 0 | 111 | Q200 S260 S264 | Q200-S262 PolarHBondContact OE1-OG 2.86Å; S260-S262 PolarHBondContact O-N 3.29Å; S262-S264 VanDerWaalsContact C-N 3.26Å; S262-S264 PolarHBondContact O-N 2.93Å |
| 263 | D | 46.2 | Very low | 49.8 | Very low | 84 Ų | 84 | 103.8 Ų | 103.8 | 45% | 0.449 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -54 | -29.8 | 168.8 | -89 | -30 | 0 | 0 | 0 | 114.4 | S261 M265 L266 T267 | S261-D263 PolarHBondContact O-N 2.76Å; D263-M265 VanDerWaalsContact C-N 3.29Å; D263-M265 PolarHBondContact O-N 2.71Å; D263-L266 CarbonylContact O-C 3.44Å; D263-L266 WeakPolarHBondContact O-CA 3.29Å; D263-L266 PolarHBondContact O-N 3.14Å; D263-T267 HydrophobicContact CB-CG2 3.84Å; D263-T267 WeakPolarHBondContact O-CG2 3.49Å; D263-T267 PolarHBondContact O-N 3.33Å; D263-T267 PolarHBondContact O-OG1 3.42Å; D263-T267 VanDerWaalsContact O-OG1 3.08Å |
| 264 | S | 48.2 | Very low | 51.6 | Low | 60 Ų | 60 | 100.1 Ų | 100.1 | 42% | 0.42 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -54.4 | -38.7 | -166.6 | -72.5 | 0 | 0 | 0 | 0 | 115.2 | S261 S262 T267 E268 | S261-S264 PolarHBondContact O-N 3.38Å; S261-S264 VanDerWaalsContact O-N 3.08Å; S261-S264 PolarHBondContact OG-OG 3.34Å; S262-S264 VanDerWaalsContact C-N 3.26Å; S262-S264 PolarHBondContact O-N 2.93Å; S264-T267 VanDerWaalsContact CA-OG1 3.24Å; S264-T267 WeakPolarHBondContact CA-OG1 3.41Å; S264-T267 PolarHBondContact O-OG1 2.91Å; S264-E268 WeakPolarHBondContact O-CB 3.23Å; S264-E268 PolarHBondContact O-N 2.98Å |
| 265 | M | 48.9 | Very low | 53.2 | Low | 107 Ų | 107 | 97.4 Ų | 97.4 | 53% | 0.527 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -77.5 | -37.2 | 175.4 | -165 | 179.4 | -169.7 | 0 | 0 | 112.1 | D263 T267 E268 F269 | D263-M265 VanDerWaalsContact C-N 3.29Å; D263-M265 PolarHBondContact O-N 2.71Å; M265-T267 VanDerWaalsContact C-N 3.26Å; M265-T267 PolarHBondContact O-N 2.92Å; M265-E268 PolarHBondContact O-N 3.2Å; M265-F269 HydrophobicContact CE-CE2 4.2Å; M265-F269 HydrophobicContact CG-CD2 4.41Å; M265-F269 HydrophobicContact CG-CE2 4.22Å; M265-F269 WeakPolarHBondContact O-CD2 3.42Å; M265-F269 PolarHBondContact O-N 2.69Å; M265-F269 VanDerWaalsContact O-N 3.1Å |
| 266 | L | 50.1 | Low | 55.3 | Low | 117 Ų | 117 | 95.1 Ų | 95.1 | 61% | 0.613 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -67.9 | -26.4 | 172.8 | -67.3 | -180 | 0 | 0 | 0 | 112.1 | D263 F269 D270 | D263-L266 CarbonylContact O-C 3.44Å; D263-L266 WeakPolarHBondContact O-CA 3.29Å; D263-L266 PolarHBondContact O-N 3.14Å; L266-F269 CarbonylContact O-C 3.56Å; L266-D270 WeakPolarHBondContact O-CA 3.19Å; L266-D270 VanDerWaalsContact O-CB 3.3Å; L266-D270 WeakPolarHBondContact O-CB 3.41Å; L266-D270 PolarHBondContact O-N 2.86Å |
| 267 | T | 50 | Low | 57.1 | Low | 54 Ų | 54 | 93.6 Ų | 93.6 | 33% | 0.331 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -86 | -27.8 | 176.9 | 56.8 | 0 | 0 | 0 | 0 | 112.9 | D263 S264 M265 F269 D270 I271 | D263-T267 HydrophobicContact CB-CG2 3.84Å; D263-T267 WeakPolarHBondContact O-CG2 3.49Å; D263-T267 PolarHBondContact O-N 3.33Å; D263-T267 PolarHBondContact O-OG1 3.42Å; D263-T267 VanDerWaalsContact O-OG1 3.08Å; S264-T267 VanDerWaalsContact CA-OG1 3.24Å; S264-T267 WeakPolarHBondContact CA-OG1 3.41Å; S264-T267 PolarHBondContact O-OG1 2.91Å; M265-T267 VanDerWaalsContact C-N 3.26Å; M265-T267 PolarHBondContact O-N 2.92Å; T267-F269 VanDerWaalsContact C-N 3.31Å; T267-D270 PolarHBondContact O-N 3.02Å; T267-I271 WeakPolarHBondContact O-CB 3.29Å; T267-I271 WeakPolarHBondContact O-CD1 3.49Å; T267-I271 VanDerWaalsContact O-CG1 3.24Å; T267-I271 WeakPolarHBondContact O-CG1 3.25Å; T267-I271 PolarHBondContact O-N 3.19Å |
| 268 | E | 49.2 | Very low | 58.8 | Low | 142 Ų | 142 | 89.4 Ų | 89.4 | 66% | 0.664 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63 | -44.7 | 165.3 | -173.3 | 171.7 | -171.4 | 0 | 0 | 109.3 | S264 M265 G272 | S264-E268 WeakPolarHBondContact O-CB 3.23Å; S264-E268 PolarHBondContact O-N 2.98Å; M265-E268 PolarHBondContact O-N 3.2Å; E268-G272 PolarHBondContact O-N 3.42Å |
| 269 | F | 52.6 | Low | 60.5 | Low | 133 Ų | 133 | 88.6 Ų | 88.6 | 58% | 0.583 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -67.1 | -31.9 | 166.8 | -72.6 | -61.5 | 0 | 0 | 0 | 113.8 | M265 L266 T267 G272 T273 | M265-F269 HydrophobicContact CE-CE2 4.2Å; M265-F269 HydrophobicContact CG-CD2 4.41Å; M265-F269 HydrophobicContact CG-CE2 4.22Å; M265-F269 WeakPolarHBondContact O-CD2 3.42Å; M265-F269 PolarHBondContact O-N 2.69Å; M265-F269 VanDerWaalsContact O-N 3.1Å; L266-F269 CarbonylContact O-C 3.56Å; T267-F269 VanDerWaalsContact C-N 3.31Å; F269-G272 CarbonylContact O-C 3.57Å; F269-G272 PolarHBondContact O-N 3.48Å; F269-T273 WeakPolarHBondContact O-CB 3.3Å; F269-T273 PolarHBondContact O-N 2.78Å; F269-T273 PolarHBondContact O-OG1 2.91Å |
| 270 | D | 60 | Low | 62.6 | Low | 56 Ų | 56 | 86.2 Ų | 86.2 | 30% | 0.299 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -72.1 | -36.5 | 178.9 | -165.8 | 24.3 | 0 | 0 | 0 | 111.3 | L266 T267 G272 T273 R274 | L266-D270 WeakPolarHBondContact O-CA 3.19Å; L266-D270 VanDerWaalsContact O-CB 3.3Å; L266-D270 WeakPolarHBondContact O-CB 3.41Å; L266-D270 PolarHBondContact O-N 2.86Å; T267-D270 PolarHBondContact O-N 3.02Å; D270-G272 VanDerWaalsContact C-N 3.34Å; D270-T273 PolarHBondContact O-N 3.28Å; D270-R274 VanDerWaalsContact CG-NE 3.29Å; D270-R274 WeakPolarHBondContact O-CB 3.46Å; D270-R274 WeakPolarHBondContact O-CG 3.3Å; D270-R274 PolarHBondContact O-N 2.77Å; D270-R274 IonicContact OD1-NE 2.9Å; D270-R274 PolarHBondContact OD1-NE 3.29Å; D270-R274 IonicContact OD2-CZ 3.62Å; D270-R274 IonicContact OD2-NE 3.7Å; D270-R274 PolarHBondContact OD2-NE 2.88Å; D270-R274 IonicContact OD2-NH2 3.28Å; D270-R274 PolarHBondContact OD2-NH2 3.18Å |
| 271 | I | 65.5 | Low | 64.2 | Low | 111 Ų | 111 | 84.6 Ų | 84.6 | 57% | 0.569 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -59.7 | -48.5 | 169.1 | -69.3 | 160.6 | 0 | 0 | 0 | 109.2 | T267 T273 L275 | T267-I271 WeakPolarHBondContact O-CB 3.29Å; T267-I271 WeakPolarHBondContact O-CD1 3.49Å; T267-I271 VanDerWaalsContact O-CG1 3.24Å; T267-I271 WeakPolarHBondContact O-CG1 3.25Å; T267-I271 PolarHBondContact O-N 3.19Å; I271-T273 PolarHBondContact O-N 3.27Å; I271-L275 HydrophobicContact CG2-CD1 4.18Å; I271-L275 WeakPolarHBondContact O-CB 3.23Å; I271-L275 WeakPolarHBondContact O-CG 3.32Å; I271-L275 PolarHBondContact O-N 2.72Å; I271-L275 VanDerWaalsContact O-N 3.08Å |
| 272 | G | 69.1 | Low | 66.1 | Low | 39 Ų | 39 | 87.9 Ų | 87.9 | 40% | 0.402 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -58.3 | -42.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | E268 F269 D270 L275 M276 | E268-G272 PolarHBondContact O-N 3.42Å; F269-G272 CarbonylContact O-C 3.57Å; F269-G272 PolarHBondContact O-N 3.48Å; D270-G272 VanDerWaalsContact C-N 3.34Å; G272-L275 PolarHBondContact O-N 3.41Å; G272-M276 WeakPolarHBondContact O-CB 3.37Å; G272-M276 PolarHBondContact O-N 3.34Å |
| 273 | T | 71.3 | Confident | 67.8 | Low | 62 Ų | 62 | 90.2 Ų | 90.2 | 38% | 0.38 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -76.2 | -34.9 | -175.1 | -56.7 | 0 | 0 | 0 | 0 | 111.9 | F269 D270 I271 K277 | F269-T273 WeakPolarHBondContact O-CB 3.3Å; F269-T273 PolarHBondContact O-N 2.78Å; F269-T273 PolarHBondContact O-OG1 2.91Å; D270-T273 PolarHBondContact O-N 3.28Å; I271-T273 PolarHBondContact O-N 3.27Å; T273-K277 PolarHBondContact O-N 2.68Å |
| 274 | R | 72.6 | Confident | 69.8 | Low | 171 Ų | 171 | 86.9 Ų | 86.9 | 65% | 0.645 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -68.3 | -33.9 | 172.4 | -73.7 | 176.8 | -167 | -150 | 9.6 | 112.1 | D270 P278 | D270-R274 VanDerWaalsContact CG-NE 3.29Å; D270-R274 WeakPolarHBondContact O-CB 3.46Å; D270-R274 WeakPolarHBondContact O-CG 3.3Å; D270-R274 PolarHBondContact O-N 2.77Å; D270-R274 IonicContact OD1-NE 2.9Å; D270-R274 PolarHBondContact OD1-NE 3.29Å; D270-R274 IonicContact OD2-CZ 3.62Å; D270-R274 IonicContact OD2-NE 3.7Å; D270-R274 PolarHBondContact OD2-NE 2.88Å; D270-R274 IonicContact OD2-NH2 3.28Å; D270-R274 PolarHBondContact OD2-NH2 3.18Å; R274-P278 WeakPolarHBondContact O-CD 3.24Å; R274-P278 WeakPolarHBondContact O-CG 3.25Å |
| 275 | L | 74 | Confident | 71.5 | Confident | 93 Ų | 93 | 86.9 Ų | 86.9 | 49% | 0.487 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -84.6 | -31.6 | 175.4 | -68.9 | 173.6 | 0 | 0 | 0 | 113.2 | I271 G272 K277 P278 L279 | I271-L275 HydrophobicContact CG2-CD1 4.18Å; I271-L275 WeakPolarHBondContact O-CB 3.23Å; I271-L275 WeakPolarHBondContact O-CG 3.32Å; I271-L275 PolarHBondContact O-N 2.72Å; I271-L275 VanDerWaalsContact O-N 3.08Å; G272-L275 PolarHBondContact O-N 3.41Å; L275-K277 PolarHBondContact O-N 2.92Å; L275-P278 VanDerWaalsContact O-CD 3.23Å; L275-P278 WeakPolarHBondContact O-CD 3.24Å; L275-P278 VanDerWaalsContact O-CG 3.32Å; L275-P278 WeakPolarHBondContact O-CG 3.4Å; L275-L279 WeakPolarHBondContact O-CB 3.38Å; L275-L279 PolarHBondContact O-N 3.43Å |
| 276 | M | 81.6 | Confident | 73.3 | Confident | 121 Ų | 121 | 86 Ų | 86 | 60% | 0.596 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -62.5 | -39.3 | 178.1 | 177.1 | -179.2 | 169.7 | 0 | 0 | 112.2 | G272 F280 | G272-M276 WeakPolarHBondContact O-CB 3.37Å; G272-M276 PolarHBondContact O-N 3.34Å; M276-F280 VanDerWaalsContact O-CB 3.29Å; M276-F280 WeakPolarHBondContact O-CB 3.46Å; M276-F280 PolarHBondContact O-N 3.37Å |
| 277 | K | 78.5 | Confident | 75.1 | Confident | 73 Ų | 73 | 83.1 Ų | 83.1 | 32% | 0.317 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -58.3 | -58 | 177.1 | -72.3 | 174 | -176.6 | 175.1 | 0 | 113.2 | T273 L275 F280 A281 F313 | T273-K277 PolarHBondContact O-N 2.68Å; L275-K277 PolarHBondContact O-N 2.92Å; K277-F280 PolarHBondContact O-N 3.48Å; K277-A281 PolarHBondContact O-N 3.02Å; K277-F313 WeakPolarHBondContact O-CZ 3.32Å |
| 278 | P | 81.7 | Confident | 76.8 | Confident | 54 Ų | 54 | 84.8 Ų | 84.8 | 35% | 0.351 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -67.9 | -33.6 | 177.8 | 26.4 | -34.1 | 0 | 0 | 0 | 112.8 | R274 L275 A281 F282 | R274-P278 WeakPolarHBondContact O-CD 3.24Å; R274-P278 WeakPolarHBondContact O-CG 3.25Å; L275-P278 VanDerWaalsContact O-CD 3.23Å; L275-P278 WeakPolarHBondContact O-CD 3.24Å; L275-P278 VanDerWaalsContact O-CG 3.32Å; L275-P278 WeakPolarHBondContact O-CG 3.4Å; P278-A281 PolarHBondContact O-N 3.45Å; P278-F282 WeakPolarHBondContact O-CB 3.39Å; P278-F282 PolarHBondContact O-N 2.81Å |
| 279 | L | 81.4 | Confident | 78.5 | Confident | 102 Ų | 102 | 80 Ų | 80 | 53% | 0.534 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -61 | -46.6 | 174.9 | -175.4 | 157.2 | 0 | 0 | 0 | 111.2 | L275 F282 L283 | L275-L279 WeakPolarHBondContact O-CB 3.38Å; L275-L279 PolarHBondContact O-N 3.43Å; L279-F282 PolarHBondContact O-N 3.41Å; L279-L283 HydrophobicContact CD2-CD1 3.67Å; L279-L283 HydrophobicContact CD2-CG 4.2Å; L279-L283 WeakPolarHBondContact O-CG 3.32Å; L279-L283 PolarHBondContact O-N 2.94Å |
| 280 | F | 85.3 | Confident | 80 | Confident | 71 Ų | 71 | 77.5 Ų | 77.5 | 31% | 0.311 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -67.8 | -37.7 | 177.8 | -163.2 | -83.2 | 0 | 0 | 0 | 112 | M276 K277 F282 L283 L284 L309 F313 | M276-F280 VanDerWaalsContact O-CB 3.29Å; M276-F280 WeakPolarHBondContact O-CB 3.46Å; M276-F280 PolarHBondContact O-N 3.37Å; K277-F280 PolarHBondContact O-N 3.48Å; F280-F282 VanDerWaalsContact C-N 3.33Å; F280-F282 PolarHBondContact O-N 3.37Å; F280-L283 PolarHBondContact O-N 2.92Å; F280-L284 HydrophobicContact CD1-CD1 3.94Å; F280-L284 HydrophobicContact CD1-CG 4.36Å; F280-L284 HydrophobicContact CE1-CD1 3.76Å; F280-L284 HydrophobicContact CE1-CG 4.14Å; F280-L284 WeakPolarHBondContact O-CB 3.49Å; F280-L284 PolarHBondContact O-N 2.93Å; F280-L309 HydrophobicContact CE1-CD2 3.68Å; F280-L309 HydrophobicContact CZ-CD2 3.72Å; F280-L309 HydrophobicContact CZ-CG 4.35Å; F280-F313 HydrophobicContact CB-CE2 3.91Å; F280-F313 HydrophobicContact CB-CZ 4.44Å; F280-F313 HydrophobicContact CD1-CB 4.36Å; F280-F313 HydrophobicContact CD1-CD1 4.47Å; F280-F313 AromaticContact CD1-CD2 3.21Å; F280-F313 HydrophobicContact CD1-CD2 3.21Å; F280-F313 AromaticContact CD1-CE2 3.46Å; F280-F313 HydrophobicContact CD1-CE2 3.46Å; F280-F313 VanDerWaalsContact CD1-CE2 3.46Å; F280-F313 AromaticContact CD1-CG 3.77Å; F280-F313 HydrophobicContact CD1-CG 3.77Å; F280-F313 HydrophobicContact CD1-CZ 4.2Å; F280-F313 HydrophobicContact CE1-CB 4.01Å; F280-F313 AromaticContact CE1-CD2 3.63Å; F280-F313 HydrophobicContact CE1-CD2 3.63Å; F280-F313 HydrophobicContact CE1-CE2 4.33Å; F280-F313 AromaticContact CE1-CG 3.94Å; F280-F313 HydrophobicContact CE1-CG 3.94Å; F280-F313 HydrophobicContact CG-CD2 4.13Å; F280-F313 HydrophobicContact CG-CE2 4.04Å |
| 281 | A | 85 | Confident | 81.1 | Confident | 39 Ų | 39 | 77.2 Ų | 77.2 | 32% | 0.322 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -60.2 | -42.1 | 172 | 0 | 0 | 0 | 0 | 0 | 112.2 | K277 P278 L284 L285 F313 | K277-A281 PolarHBondContact O-N 3.02Å; P278-A281 PolarHBondContact O-N 3.45Å; A281-L284 WeakPolarHBondContact O-CB 3.24Å; A281-L284 PolarHBondContact O-N 2.83Å; A281-L285 WeakPolarHBondContact O-CB 3.47Å; A281-L285 PolarHBondContact O-N 3.31Å; A281-F313 HydrophobicContact CB-CE1 3.76Å; A281-F313 HydrophobicContact CB-CZ 3.76Å |
| 282 | F | 85.6 | Confident | 81.9 | Confident | 121 Ų | 121 | 77.2 Ų | 77.2 | 53% | 0.531 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -64.6 | -45.7 | 176.4 | 177.5 | -96.2 | 0 | 0 | 0 | 111.9 | P278 L279 F280 L284 L285 F286 | P278-F282 WeakPolarHBondContact O-CB 3.39Å; P278-F282 PolarHBondContact O-N 2.81Å; L279-F282 PolarHBondContact O-N 3.41Å; F280-F282 VanDerWaalsContact C-N 3.33Å; F280-F282 PolarHBondContact O-N 3.37Å; F282-L284 VanDerWaalsContact C-N 3.31Å; F282-L284 PolarHBondContact O-N 2.88Å; F282-L285 PolarHBondContact O-N 3.32Å; F282-F286 VanDerWaalsContact O-CB 3.3Å; F282-F286 WeakPolarHBondContact O-CB 3.48Å; F282-F286 PolarHBondContact O-N 3.1Å |
| 283 | L | 87.5 | Confident | 82.6 | Confident | 85 Ų | 85 | 78.4 Ų | 78.4 | 45% | 0.445 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -61.5 | -38.7 | 174.5 | -69.5 | 179.4 | 0 | 0 | 0 | 112.1 | L279 F280 T287 | L279-L283 HydrophobicContact CD2-CD1 3.67Å; L279-L283 HydrophobicContact CD2-CG 4.2Å; L279-L283 WeakPolarHBondContact O-CG 3.32Å; L279-L283 PolarHBondContact O-N 2.94Å; F280-L283 PolarHBondContact O-N 2.92Å; L283-T287 WeakPolarHBondContact O-CB 3.32Å; L283-T287 PolarHBondContact O-N 3.37Å; L283-T287 PolarHBondContact O-OG1 2.81Å |
| 284 | L | 87.1 | Confident | 82.9 | Confident | 13 Ų | 13 | 80.6 Ų | 80.6 | 7% | 0.068 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -62.6 | -47.5 | 173.9 | -104.6 | 173.2 | 0 | 0 | 0 | 112 | F280 A281 F282 T287 W288 L309 T310 F313 | F280-L284 HydrophobicContact CD1-CD1 3.94Å; F280-L284 HydrophobicContact CD1-CG 4.36Å; F280-L284 HydrophobicContact CE1-CD1 3.76Å; F280-L284 HydrophobicContact CE1-CG 4.14Å; F280-L284 WeakPolarHBondContact O-CB 3.49Å; F280-L284 PolarHBondContact O-N 2.93Å; A281-L284 WeakPolarHBondContact O-CB 3.24Å; A281-L284 PolarHBondContact O-N 2.83Å; F282-L284 VanDerWaalsContact C-N 3.31Å; F282-L284 PolarHBondContact O-N 2.88Å; L284-T287 PolarHBondContact O-N 2.85Å; L284-W288 WeakPolarHBondContact O-CB 3.3Å; L284-W288 PolarHBondContact O-N 2.9Å; L284-L309 HydrophobicContact CD1-CD2 3.99Å; L284-L309 HydrophobicContact CD2-CD2 3.55Å; L284-L309 HydrophobicContact CG-CD2 3.77Å; L284-T310 WeakPolarHBondContact CD2-OG1 3.23Å; L284-F313 HydrophobicContact CD1-CB 3.55Å; L284-F313 HydrophobicContact CD1-CD1 3.44Å; L284-F313 VanDerWaalsContact CD1-CD1 3.44Å; L284-F313 HydrophobicContact CD1-CD2 4.44Å; L284-F313 HydrophobicContact CD1-CE1 4.24Å; L284-F313 HydrophobicContact CD1-CG 3.55Å |
| 285 | L | 85.4 | Confident | 83 | Confident | 61 Ų | 61 | 82 Ų | 82 | 32% | 0.319 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.1 | -43.3 | 177.7 | -179.4 | 63.6 | 0 | 0 | 0 | 111.7 | T24 F27 A281 F282 W288 F289 | T24-L285 HydrophobicContact CG2-CD2 3.94Å; F27-L285 HydrophobicContact CD1-CD2 4.15Å; F27-L285 HydrophobicContact CD1-CG 4.27Å; F27-L285 HydrophobicContact CE1-CD1 4.46Å; F27-L285 HydrophobicContact CE1-CD2 4.37Å; F27-L285 HydrophobicContact CE1-CG 4Å; A281-L285 WeakPolarHBondContact O-CB 3.47Å; A281-L285 PolarHBondContact O-N 3.31Å; F282-L285 PolarHBondContact O-N 3.32Å; L285-W288 PolarHBondContact O-N 3.47Å; L285-F289 PolarHBondContact O-N 2.83Å |
| 286 | F | 85.6 | Confident | 83.1 | Confident | 89 Ų | 89 | 85.4 Ų | 85.4 | 39% | 0.39 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -60.4 | -48.3 | 175.1 | -168 | -119.7 | 0 | 0 | 0 | 110.6 | F282 W288 F289 F290 | F282-F286 VanDerWaalsContact O-CB 3.3Å; F282-F286 WeakPolarHBondContact O-CB 3.48Å; F282-F286 PolarHBondContact O-N 3.1Å; F286-W288 VanDerWaalsContact C-N 3.34Å; F286-W288 PolarHBondContact O-N 3.28Å; F286-F289 WeakPolarHBondContact O-CB 3.32Å; F286-F289 PolarHBondContact O-N 3.45Å; F286-F289 VanDerWaalsContact O-N 3.1Å; F286-F290 HydrophobicContact CD1-CD2 4.09Å; F286-F290 AromaticContact CD1-CE2 3.69Å; F286-F290 HydrophobicContact CD1-CE2 3.69Å; F286-F290 AromaticContact CD2-CE2 3.95Å; F286-F290 HydrophobicContact CD2-CE2 3.95Å; F286-F290 HydrophobicContact CE1-CD2 4.21Å; F286-F290 AromaticContact CE1-CE2 3.4Å; F286-F290 HydrophobicContact CE1-CE2 3.4Å; F286-F290 VanDerWaalsContact CE1-CE2 3.4Å; F286-F290 HydrophobicContact CE1-CZ 4.18Å; F286-F290 AromaticContact CE2-CE2 3.67Å; F286-F290 HydrophobicContact CE2-CE2 3.67Å; F286-F290 HydrophobicContact CE2-CZ 4.35Å; F286-F290 HydrophobicContact CG-CD2 4.31Å; F286-F290 AromaticContact CG-CE2 3.97Å; F286-F290 HydrophobicContact CG-CE2 3.97Å; F286-F290 AromaticContact CZ-CE2 3.41Å; F286-F290 HydrophobicContact CZ-CE2 3.41Å; F286-F290 VanDerWaalsContact CZ-CE2 3.41Å; F286-F290 AromaticContact CZ-CZ 3.93Å; F286-F290 HydrophobicContact CZ-CZ 3.93Å; F286-F290 VanDerWaalsContact O-CD2 3.24Å; F286-F290 WeakPolarHBondContact O-CD2 3.13Å; F286-F290 PolarHBondContact O-N 2.91Å |
| 287 | T | 87.6 | Confident | 82.9 | Confident | 55 Ų | 55 | 88.1 Ų | 88.1 | 34% | 0.337 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -65.3 | -36.4 | 178.8 | -46.2 | 0 | 0 | 0 | 0 | 112.1 | L283 L284 F290 R291 L306 | L283-T287 WeakPolarHBondContact O-CB 3.32Å; L283-T287 PolarHBondContact O-N 3.37Å; L283-T287 PolarHBondContact O-OG1 2.81Å; L284-T287 PolarHBondContact O-N 2.85Å; T287-F290 PolarHBondContact O-N 3.42Å; T287-R291 PolarHBondContact O-N 2.94Å; T287-L306 HydrophobicContact CG2-CD1 3.42Å; T287-L306 VanDerWaalsContact CG2-CD1 3.42Å |
| 288 | W | 87.2 | Confident | 82.7 | Confident | 90 Ų | 90 | 86.8 Ų | 86.8 | 34% | 0.341 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -60.9 | -41.9 | 170.2 | -98 | 100.3 | 0 | 0 | 0 | 112.5 | L284 L285 F286 R291 I292 L306 V307 T310 | L284-W288 WeakPolarHBondContact O-CB 3.3Å; L284-W288 PolarHBondContact O-N 2.9Å; L285-W288 PolarHBondContact O-N 3.47Å; F286-W288 VanDerWaalsContact C-N 3.34Å; F286-W288 PolarHBondContact O-N 3.28Å; W288-R291 WeakPolarHBondContact O-CB 3.44Å; W288-R291 PolarHBondContact O-N 3.48Å; W288-I292 WeakPolarHBondContact O-CG1 3.43Å; W288-I292 PolarHBondContact O-N 3.38Å; W288-L306 HydrophobicContact CD2-CD2 3.69Å; W288-L306 HydrophobicContact CE3-CD2 4.22Å; W288-L306 HydrophobicContact CG-CD2 3.89Å; W288-L306 HydrophobicContact CZ2-CD2 4.18Å; W288-V307 HydrophobicContact CH2-CG2 4.49Å; W288-V307 HydrophobicContact CZ2-CG2 4.3Å; W288-T310 PolarHBondContact NE1-OG1 2.95Å |
| 289 | F | 84.6 | Confident | 82.6 | Confident | 42 Ų | 42 | 89.7 Ų | 89.7 | 18% | 0.184 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -64.6 | -43 | 174.5 | 173.2 | -93.9 | 0 | 0 | 0 | 112.5 | F27 A31 L285 F286 R291 I292 V293 | F27-F289 HydrophobicContact CE1-CB 3.76Å; F27-F289 AromaticContact CE1-CD2 3.97Å; F27-F289 HydrophobicContact CE1-CD2 3.97Å; F27-F289 AromaticContact CE1-CG 3.98Å; F27-F289 HydrophobicContact CE1-CG 3.98Å; F27-F289 HydrophobicContact CE2-CD1 4.24Å; F27-F289 HydrophobicContact CE2-CD2 4.24Å; F27-F289 HydrophobicContact CE2-CE1 4.48Å; F27-F289 HydrophobicContact CE2-CE2 4.49Å; F27-F289 HydrophobicContact CE2-CG 4.11Å; F27-F289 HydrophobicContact CZ-CB 3.39Å; F27-F289 AromaticContact CZ-CD1 3.81Å; F27-F289 HydrophobicContact CZ-CD1 3.81Å; F27-F289 AromaticContact CZ-CD2 3.6Å; F27-F289 HydrophobicContact CZ-CD2 3.6Å; F27-F289 HydrophobicContact CZ-CE1 4.45Å; F27-F289 HydrophobicContact CZ-CE2 4.27Å; F27-F289 AromaticContact CZ-CG 3.32Å; F27-F289 HydrophobicContact CZ-CG 3.32Å; A31-F289 HydrophobicContact CB-CD2 4.19Å; A31-F289 HydrophobicContact CB-CE2 3.97Å; L285-F289 PolarHBondContact O-N 2.83Å; F286-F289 WeakPolarHBondContact O-CB 3.32Å; F286-F289 PolarHBondContact O-N 3.45Å; F286-F289 VanDerWaalsContact O-N 3.1Å; F289-R291 VanDerWaalsContact C-N 3.26Å; F289-R291 PolarHBondContact O-N 3.19Å; F289-I292 PolarHBondContact O-N 2.92Å; F289-I292 VanDerWaalsContact O-N 3.09Å; F289-V293 HydrophobicContact CD1-CG2 4.28Å; F289-V293 HydrophobicContact CD2-CG2 4.1Å; F289-V293 HydrophobicContact CE1-CG2 3.91Å; F289-V293 HydrophobicContact CE2-CG2 3.71Å; F289-V293 HydrophobicContact CG-CG2 4.37Å; F289-V293 HydrophobicContact CZ-CG2 3.61Å; F289-V293 PolarHBondContact O-N 3.41Å |
| 290 | F | 83.7 | Confident | 82.7 | Confident | 79 Ų | 79 | 89.3 Ų | 89.3 | 35% | 0.346 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -57.2 | -43.3 | 171.2 | -83 | -82.6 | 0 | 0 | 0 | 111.1 | F286 T287 I292 Y294 | F286-F290 HydrophobicContact CD1-CD2 4.09Å; F286-F290 AromaticContact CD1-CE2 3.69Å; F286-F290 HydrophobicContact CD1-CE2 3.69Å; F286-F290 AromaticContact CD2-CE2 3.95Å; F286-F290 HydrophobicContact CD2-CE2 3.95Å; F286-F290 HydrophobicContact CE1-CD2 4.21Å; F286-F290 AromaticContact CE1-CE2 3.4Å; F286-F290 HydrophobicContact CE1-CE2 3.4Å; F286-F290 VanDerWaalsContact CE1-CE2 3.4Å; F286-F290 HydrophobicContact CE1-CZ 4.18Å; F286-F290 AromaticContact CE2-CE2 3.67Å; F286-F290 HydrophobicContact CE2-CE2 3.67Å; F286-F290 HydrophobicContact CE2-CZ 4.35Å; F286-F290 HydrophobicContact CG-CD2 4.31Å; F286-F290 AromaticContact CG-CE2 3.97Å; F286-F290 HydrophobicContact CG-CE2 3.97Å; F286-F290 AromaticContact CZ-CE2 3.41Å; F286-F290 HydrophobicContact CZ-CE2 3.41Å; F286-F290 VanDerWaalsContact CZ-CE2 3.41Å; F286-F290 AromaticContact CZ-CZ 3.93Å; F286-F290 HydrophobicContact CZ-CZ 3.93Å; F286-F290 VanDerWaalsContact O-CD2 3.24Å; F286-F290 WeakPolarHBondContact O-CD2 3.13Å; F286-F290 PolarHBondContact O-N 2.91Å; T287-F290 PolarHBondContact O-N 3.42Å; F290-I292 VanDerWaalsContact C-N 3.29Å; F290-I292 PolarHBondContact O-N 2.91Å; F290-Y294 HydrophobicContact CB-CD2 4.46Å; F290-Y294 AromaticContact CD1-CD2 3.45Å; F290-Y294 HydrophobicContact CD1-CD2 3.45Å; F290-Y294 VanDerWaalsContact CD1-CD2 3.45Å; F290-Y294 AromaticContact CD1-CE2 3.58Å; F290-Y294 HydrophobicContact CD1-CE2 3.58Å; F290-Y294 HydrophobicContact CE1-CD2 4.05Å; F290-Y294 AromaticContact CE1-CE2 3.67Å; F290-Y294 HydrophobicContact CE1-CE2 3.67Å; F290-Y294 HydrophobicContact CG-CD2 4.34Å; F290-Y294 WeakPolarHBondContact O-CA 3.32Å; F290-Y294 VanDerWaalsContact O-CB 3.23Å; F290-Y294 WeakPolarHBondContact O-CB 3.3Å; F290-Y294 PolarHBondContact O-N 3.35Å |
| 291 | R | 83.1 | Confident | 82.6 | Confident | 51 Ų | 51 | 91.3 Ų | 91.3 | 19% | 0.192 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -62 | -34.9 | 176.7 | 176 | 163.7 | 175.5 | 59.8 | 3.4 | 113.3 | T287 W288 F289 R295 F298 T303 L306 | T287-R291 PolarHBondContact O-N 2.94Å; W288-R291 WeakPolarHBondContact O-CB 3.44Å; W288-R291 PolarHBondContact O-N 3.48Å; F289-R291 VanDerWaalsContact C-N 3.26Å; F289-R291 PolarHBondContact O-N 3.19Å; R291-R295 WeakPolarHBondContact O-CA 3.5Å; R291-R295 PolarHBondContact O-N 2.97Å; R291-F298 HydrophobicContact CB-CD1 4.4Å; R291-F298 HydrophobicContact CB-CE1 4.41Å; R291-F298 HydrophobicContact CB-CG 4.44Å; R291-F298 HydrophobicContact CG-CD1 4.01Å; R291-F298 HydrophobicContact CG-CE1 4.31Å; R291-F298 HydrophobicContact CG-CG 4.29Å; R291-F298 VanDerWaalsContact NH1-CD1 3.33Å; R291-T303 VanDerWaalsContact CZ-CG2 3.43Å; R291-T303 PolarHBondContact NH1-OG1 3.35Å; R291-T303 PolarHBondContact NH2-OG1 3.14Å; R291-L306 HydrophobicContact CB-CD2 4.14Å; R291-L306 HydrophobicContact CG-CD2 4.46Å |
| 292 | I | 82 | Confident | 82.6 | Confident | 110 Ų | 110 | 91.9 Ų | 91.9 | 56% | 0.564 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -73.2 | -51.9 | 178.6 | -68.6 | 163.1 | 0 | 0 | 0 | 110.9 | W288 F289 F290 | W288-I292 WeakPolarHBondContact O-CG1 3.43Å; W288-I292 PolarHBondContact O-N 3.38Å; F289-I292 PolarHBondContact O-N 2.92Å; F289-I292 VanDerWaalsContact O-N 3.09Å; F290-I292 VanDerWaalsContact C-N 3.29Å; F290-I292 PolarHBondContact O-N 2.91Å |
| 293 | V | 83.1 | Confident | 82.5 | Confident | 65 Ų | 65 | 87.5 Ų | 87.5 | 39% | 0.394 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -70.7 | -44.2 | -177.3 | 176.7 | 0 | 0 | 0 | 0 | 111.6 | F289 R295 | F289-V293 HydrophobicContact CD1-CG2 4.28Å; F289-V293 HydrophobicContact CD2-CG2 4.1Å; F289-V293 HydrophobicContact CE1-CG2 3.91Å; F289-V293 HydrophobicContact CE2-CG2 3.71Å; F289-V293 HydrophobicContact CG-CG2 4.37Å; F289-V293 HydrophobicContact CZ-CG2 3.61Å; F289-V293 PolarHBondContact O-N 3.41Å; V293-R295 PolarHBondContact O-N 3.22Å |
| 294 | Y | 78.8 | Confident | 82.4 | Confident | 107 Ų | 107 | 90.6 Ų | 90.6 | 42% | 0.42 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.4 | 41.3 | -175.6 | -61 | -81.9 | 0 | 0 | 0 | 111.7 | F290 Q296 Y297 | F290-Y294 HydrophobicContact CB-CD2 4.46Å; F290-Y294 AromaticContact CD1-CD2 3.45Å; F290-Y294 HydrophobicContact CD1-CD2 3.45Å; F290-Y294 VanDerWaalsContact CD1-CD2 3.45Å; F290-Y294 AromaticContact CD1-CE2 3.58Å; F290-Y294 HydrophobicContact CD1-CE2 3.58Å; F290-Y294 HydrophobicContact CE1-CD2 4.05Å; F290-Y294 AromaticContact CE1-CE2 3.67Å; F290-Y294 HydrophobicContact CE1-CE2 3.67Å; F290-Y294 HydrophobicContact CG-CD2 4.34Å; F290-Y294 WeakPolarHBondContact O-CA 3.32Å; F290-Y294 VanDerWaalsContact O-CB 3.23Å; F290-Y294 WeakPolarHBondContact O-CB 3.3Å; F290-Y294 PolarHBondContact O-N 3.35Å; Y294-Q296 PolarHBondContact O-N 3.34Å; Y294-Y297 AromaticContact CD1-CD2 3.85Å; Y294-Y297 HydrophobicContact CD1-CD2 3.85Å; Y294-Y297 AromaticContact CD1-CE2 3.85Å; Y294-Y297 HydrophobicContact CD1-CE2 3.85Å; Y294-Y297 HydrophobicContact CG-CD2 4.3Å; Y294-Y297 PolarHBondContact O-N 2.87Å |
| 295 | R | 74.9 | Confident | 82.4 | Confident | 201 Ų | 201 | 92.5 Ų | 92.5 | 76% | 0.758 | 45% | 0.452 | S | S | * | . | G | 310 helix | trans | -49.8 | -32.9 | -179.1 | -176.1 | 174.2 | 175.8 | 154.9 | -1.1 | 113.6 | R291 V293 | R291-R295 WeakPolarHBondContact O-CA 3.5Å; R291-R295 PolarHBondContact O-N 2.97Å; V293-R295 PolarHBondContact O-N 3.22Å |
| 296 | Q | 75.2 | Confident | 82.5 | Confident | 165 Ų | 165 | 90.2 Ų | 90.2 | 77% | 0.771 | 44% | 0.44 | S | S | * | . | G | 310 helix | trans | -70.3 | -22.3 | 178 | 65.4 | -172.7 | -20.4 | 0 | 0 | 115.1 | Y294 | Y294-Q296 PolarHBondContact O-N 3.34Š|
| 297 | Y | 78.1 | Confident | 82.6 | Confident | 177 Ų | 177 | 89 Ų | 89 | 69% | 0.694 | 44% | 0.44 | S | S | * | . | G | 310 helix | trans | -91.9 | -8.6 | -178.7 | -69.1 | -88.3 | 0 | 0 | 0 | 113.3 | Y294 | Y294-Y297 AromaticContact CD1-CD2 3.85Å; Y294-Y297 HydrophobicContact CD1-CD2 3.85Å; Y294-Y297 AromaticContact CD1-CE2 3.85Å; Y294-Y297 HydrophobicContact CD1-CE2 3.85Å; Y294-Y297 HydrophobicContact CG-CD2 4.3Å; Y294-Y297 PolarHBondContact O-N 2.87Å |
| 298 | F | 74.5 | Confident | 82.4 | Confident | 46 Ų | 46 | 89.9 Ų | 89.9 | 20% | 0.202 | 45% | 0.445 | C | S | . | . | trans | -111.2 | 96.9 | -164.2 | -145.3 | -95.7 | 0 | 0 | 0 | 112 | R291 S302 L306 | R291-F298 HydrophobicContact CB-CD1 4.4Å; R291-F298 HydrophobicContact CB-CE1 4.41Å; R291-F298 HydrophobicContact CB-CG 4.44Å; R291-F298 HydrophobicContact CG-CD1 4.01Å; R291-F298 HydrophobicContact CG-CE1 4.31Å; R291-F298 HydrophobicContact CG-CG 4.29Å; R291-F298 VanDerWaalsContact NH1-CD1 3.33Å; F298-S302 VanDerWaalsContact CE1-O 3.3Å; F298-S302 WeakPolarHBondContact CE1-O 3.2Å; F298-S302 VanDerWaalsContact CE1-OG 3.32Å; F298-S302 WeakPolarHBondContact CE1-OG 3.42Å; F298-S302 WeakPolarHBondContact CZ-OG 3.24Å; F298-L306 HydrophobicContact CE1-CB 4.28Å; F298-L306 HydrophobicContact CZ-CB 4.46Å | ||
| 299 | N | 79 | Confident | 82.4 | Confident | 115 Ų | 115 | 89.2 Ų | 89.2 | 62% | 0.615 | 45% | 0.448 | S | S | * | . | trans | -58.1 | 156.1 | -179.4 | -163.7 | -8.3 | 0 | 0 | 0 | 112.5 | V301 S302 T303 | N299-V301 VanDerWaalsContact C-N 3.26Å; N299-V301 PolarHBondContact O-N 3.37Å; N299-S302 PolarHBondContact O-N 3.38Å; N299-S302 VanDerWaalsContact O-N 3.07Å; N299-T303 PolarHBondContact O-N 3.41Å; N299-T303 PolarHBondContact O-OG1 3.07Å; N299-T303 VanDerWaalsContact O-OG1 3.04Å | ||
| 300 | S | 83.2 | Confident | 82.6 | Confident | 94 Ų | 94 | 88.8 Ų | 88.8 | 66% | 0.657 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -56.5 | -35.9 | 179.9 | -59.8 | 0 | 0 | 0 | 0 | 113 | T303 F304 | S300-T303 VanDerWaalsContact O-CB 3.26Å; S300-T303 WeakPolarHBondContact O-CB 3.42Å; S300-T303 PolarHBondContact O-N 3.49Å; S300-F304 PolarHBondContact O-N 3.49Å |
| 301 | V | 82.8 | Confident | 82.7 | Confident | 112 Ų | 112 | 89.8 Ų | 89.8 | 68% | 0.679 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -64.4 | -45.7 | 175.1 | 179.8 | 0 | 0 | 0 | 0 | 111.4 | N299 T303 F304 A305 | N299-V301 VanDerWaalsContact C-N 3.26Å; N299-V301 PolarHBondContact O-N 3.37Å; V301-T303 VanDerWaalsContact C-N 3.3Å; V301-T303 PolarHBondContact O-N 2.89Å; V301-F304 PolarHBondContact O-N 2.95Å; V301-A305 PolarHBondContact O-N 2.89Å |
| 302 | S | 85.8 | Confident | 82.9 | Confident | 51 Ų | 51 | 94.9 Ų | 94.9 | 36% | 0.357 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.2 | -37.5 | 178.7 | -162.1 | 0 | 0 | 0 | 0 | 111 | F298 N299 F304 A305 L306 | F298-S302 VanDerWaalsContact CE1-O 3.3Å; F298-S302 WeakPolarHBondContact CE1-O 3.2Å; F298-S302 VanDerWaalsContact CE1-OG 3.32Å; F298-S302 WeakPolarHBondContact CE1-OG 3.42Å; F298-S302 WeakPolarHBondContact CZ-OG 3.24Å; N299-S302 PolarHBondContact O-N 3.38Å; N299-S302 VanDerWaalsContact O-N 3.07Å; S302-F304 PolarHBondContact O-N 3.26Å; S302-A305 PolarHBondContact O-N 3.44Å; S302-L306 PolarHBondContact O-N 2.89Å |
| 303 | T | 84.1 | Confident | 83.1 | Confident | 30 Ų | 30 | 91.3 Ų | 91.3 | 18% | 0.184 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -54.2 | -52.8 | 171.3 | -56.3 | 0 | 0 | 0 | 0 | 111.7 | R291 N299 S300 V301 L306 V307 | R291-T303 VanDerWaalsContact CZ-CG2 3.43Å; R291-T303 PolarHBondContact NH1-OG1 3.35Å; R291-T303 PolarHBondContact NH2-OG1 3.14Å; N299-T303 PolarHBondContact O-N 3.41Å; N299-T303 PolarHBondContact O-OG1 3.07Å; N299-T303 VanDerWaalsContact O-OG1 3.04Å; S300-T303 VanDerWaalsContact O-CB 3.26Å; S300-T303 WeakPolarHBondContact O-CB 3.42Å; S300-T303 PolarHBondContact O-N 3.49Å; V301-T303 VanDerWaalsContact C-N 3.3Å; V301-T303 PolarHBondContact O-N 2.89Å; T303-L306 WeakPolarHBondContact O-CB 3.24Å; T303-L306 PolarHBondContact O-N 2.76Å; T303-V307 WeakPolarHBondContact O-CG2 3.49Å; T303-V307 PolarHBondContact O-N 3.48Å; T303-V307 VanDerWaalsContact O-N 3.07Å |
| 304 | F | 84.8 | Confident | 83.3 | Confident | 149 Ų | 149 | 91.8 Ų | 91.8 | 65% | 0.654 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -62.4 | -44.9 | -178.1 | -177 | -100.6 | 0 | 0 | 0 | 110.8 | S300 V301 S302 L306 V307 T308 | S300-F304 PolarHBondContact O-N 3.49Å; V301-F304 PolarHBondContact O-N 2.95Å; S302-F304 PolarHBondContact O-N 3.26Å; F304-L306 PolarHBondContact O-N 3.28Å; F304-V307 PolarHBondContact O-N 3.46Å; F304-T308 PolarHBondContact O-N 2.99Å; F304-T308 PolarHBondContact O-OG1 3.24Å |
| 305 | A | 87.5 | Confident | 83.5 | Confident | 53 Ų | 53 | 88.2 Ų | 88.2 | 44% | 0.438 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -57.3 | -43.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | V301 S302 T308 L309 | V301-A305 PolarHBondContact O-N 2.89Å; S302-A305 PolarHBondContact O-N 3.44Å; A305-T308 PolarHBondContact O-N 2.96Å; A305-L309 WeakPolarHBondContact O-CB 3.33Å; A305-L309 PolarHBondContact O-N 3.34Å |
| 306 | L | 87 | Confident | 84 | Confident | 13 Ų | 13 | 80.9 Ų | 80.9 | 7% | 0.068 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -61.5 | -44.5 | 176.6 | -169.7 | 85.2 | 0 | 0 | 0 | 111.9 | T287 W288 R291 F298 S302 T303 F304 L309 T310 | T287-L306 HydrophobicContact CG2-CD1 3.42Å; T287-L306 VanDerWaalsContact CG2-CD1 3.42Å; W288-L306 HydrophobicContact CD2-CD2 3.69Å; W288-L306 HydrophobicContact CE3-CD2 4.22Å; W288-L306 HydrophobicContact CG-CD2 3.89Å; W288-L306 HydrophobicContact CZ2-CD2 4.18Å; R291-L306 HydrophobicContact CB-CD2 4.14Å; R291-L306 HydrophobicContact CG-CD2 4.46Å; F298-L306 HydrophobicContact CE1-CB 4.28Å; F298-L306 HydrophobicContact CZ-CB 4.46Å; S302-L306 PolarHBondContact O-N 2.89Å; T303-L306 WeakPolarHBondContact O-CB 3.24Å; T303-L306 PolarHBondContact O-N 2.76Å; F304-L306 PolarHBondContact O-N 3.28Å; L306-L309 PolarHBondContact O-N 3.46Å; L306-T310 WeakPolarHBondContact O-CB 3.47Å; L306-T310 PolarHBondContact O-N 2.84Å; L306-T310 PolarHBondContact O-OG1 2.85Å |
| 307 | V | 87.1 | Confident | 84.5 | Confident | 65 Ų | 65 | 75.3 Ų | 75.3 | 39% | 0.394 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -64.2 | -48.4 | 177.8 | 173.4 | 0 | 0 | 0 | 0 | 110.5 | W288 T303 F304 L309 T310 V311 | W288-V307 HydrophobicContact CH2-CG2 4.49Å; W288-V307 HydrophobicContact CZ2-CG2 4.3Å; T303-V307 WeakPolarHBondContact O-CG2 3.49Å; T303-V307 PolarHBondContact O-N 3.48Å; T303-V307 VanDerWaalsContact O-N 3.07Å; F304-V307 PolarHBondContact O-N 3.46Å; V307-L309 VanDerWaalsContact C-N 3.34Å; V307-L309 PolarHBondContact O-N 2.82Å; V307-T310 WeakPolarHBondContact O-CB 3.43Å; V307-T310 PolarHBondContact O-N 3.27Å; V307-V311 WeakPolarHBondContact O-CG2 3.22Å; V307-V311 PolarHBondContact O-N 3.19Å |
| 308 | T | 84 | Confident | 84.9 | Confident | 72 Ų | 72 | 73.4 Ų | 73.4 | 44% | 0.442 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -58.6 | -44.5 | 177.1 | -55.8 | 0 | 0 | 0 | 0 | 111.9 | F304 A305 T310 V311 F312 | F304-T308 PolarHBondContact O-N 2.99Å; F304-T308 PolarHBondContact O-OG1 3.24Å; A305-T308 PolarHBondContact O-N 2.96Å; T308-T310 VanDerWaalsContact C-N 3.34Å; T308-V311 PolarHBondContact O-N 2.88Å; T308-F312 WeakPolarHBondContact O-CB 3.26Å; T308-F312 PolarHBondContact O-N 2.81Å |
| 309 | L | 87.1 | Confident | 85.4 | Confident | 76 Ų | 76 | 75.2 Ų | 75.2 | 40% | 0.398 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -67.4 | -35.1 | 178.6 | -170.2 | 153 | 0 | 0 | 0 | 111.7 | F280 L284 A305 L306 V307 F313 | F280-L309 HydrophobicContact CE1-CD2 3.68Å; F280-L309 HydrophobicContact CZ-CD2 3.72Å; F280-L309 HydrophobicContact CZ-CG 4.35Å; L284-L309 HydrophobicContact CD1-CD2 3.99Å; L284-L309 HydrophobicContact CD2-CD2 3.55Å; L284-L309 HydrophobicContact CG-CD2 3.77Å; A305-L309 WeakPolarHBondContact O-CB 3.33Å; A305-L309 PolarHBondContact O-N 3.34Å; L306-L309 PolarHBondContact O-N 3.46Å; V307-L309 VanDerWaalsContact C-N 3.34Å; V307-L309 PolarHBondContact O-N 2.82Å; L309-F313 WeakPolarHBondContact O-CB 3.3Å; L309-F313 PolarHBondContact O-N 3.42Å |
| 310 | T | 89.3 | Confident | 85.6 | Confident | 33 Ų | 33 | 71 Ų | 71 | 20% | 0.202 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -63.8 | -47 | 172.1 | -53.5 | 0 | 0 | 0 | 0 | 111.1 | L284 W288 L306 V307 T308 F313 C314 | L284-T310 WeakPolarHBondContact CD2-OG1 3.23Å; W288-T310 PolarHBondContact NE1-OG1 2.95Å; L306-T310 WeakPolarHBondContact O-CB 3.47Å; L306-T310 PolarHBondContact O-N 2.84Å; L306-T310 PolarHBondContact O-OG1 2.85Å; V307-T310 WeakPolarHBondContact O-CB 3.43Å; V307-T310 PolarHBondContact O-N 3.27Å; T308-T310 VanDerWaalsContact C-N 3.34Å; T310-F313 PolarHBondContact O-N 2.75Å; T310-C314 WeakPolarHBondContact O-CB 3.43Å; T310-C314 PolarHBondContact O-N 2.82Å; T310-C314 PolarHBondContact O-SG 2.92Å; T310-C314 VanDerWaalsContact O-SG 3.37Å |
| 311 | V | 86.2 | Confident | 85.7 | Confident | 100 Ų | 100 | 69.9 Ų | 69.9 | 61% | 0.606 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -62.3 | -44.5 | 177.2 | 172.7 | 0 | 0 | 0 | 0 | 111.1 | V307 T308 C314 G315 | V307-V311 WeakPolarHBondContact O-CG2 3.22Å; V307-V311 PolarHBondContact O-N 3.19Å; T308-V311 PolarHBondContact O-N 2.88Å; V311-C314 PolarHBondContact O-N 2.78Å; V311-G315 PolarHBondContact O-N 3.09Å |
| 312 | F | 85.9 | Confident | 85.9 | Confident | 159 Ų | 159 | 68.4 Ų | 68.4 | 70% | 0.697 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -61.4 | -44.2 | 176.7 | -179.5 | -99.4 | 0 | 0 | 0 | 112.1 | T308 G315 A316 | T308-F312 WeakPolarHBondContact O-CB 3.26Å; T308-F312 PolarHBondContact O-N 2.81Å; F312-G315 PolarHBondContact O-N 3.41Å; F312-A316 WeakPolarHBondContact O-CB 3.24Å; F312-A316 PolarHBondContact O-N 3.4Å |
| 313 | F | 87.5 | Confident | 85.8 | Confident | 34 Ų | 34 | 69.6 Ų | 69.6 | 15% | 0.149 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -64.5 | -46 | 176.9 | 179.5 | -108.7 | 0 | 0 | 0 | 112.4 | K277 F280 A281 L284 L309 T310 G315 A316 V317 | K277-F313 WeakPolarHBondContact O-CZ 3.32Å; F280-F313 HydrophobicContact CB-CE2 3.91Å; F280-F313 HydrophobicContact CB-CZ 4.44Å; F280-F313 HydrophobicContact CD1-CB 4.36Å; F280-F313 HydrophobicContact CD1-CD1 4.47Å; F280-F313 AromaticContact CD1-CD2 3.21Å; F280-F313 HydrophobicContact CD1-CD2 3.21Å; F280-F313 AromaticContact CD1-CE2 3.46Å; F280-F313 HydrophobicContact CD1-CE2 3.46Å; F280-F313 VanDerWaalsContact CD1-CE2 3.46Å; F280-F313 AromaticContact CD1-CG 3.77Å; F280-F313 HydrophobicContact CD1-CG 3.77Å; F280-F313 HydrophobicContact CD1-CZ 4.2Å; F280-F313 HydrophobicContact CE1-CB 4.01Å; F280-F313 AromaticContact CE1-CD2 3.63Å; F280-F313 HydrophobicContact CE1-CD2 3.63Å; F280-F313 HydrophobicContact CE1-CE2 4.33Å; F280-F313 AromaticContact CE1-CG 3.94Å; F280-F313 HydrophobicContact CE1-CG 3.94Å; F280-F313 HydrophobicContact CG-CD2 4.13Å; F280-F313 HydrophobicContact CG-CE2 4.04Å; A281-F313 HydrophobicContact CB-CE1 3.76Å; A281-F313 HydrophobicContact CB-CZ 3.76Å; L284-F313 HydrophobicContact CD1-CB 3.55Å; L284-F313 HydrophobicContact CD1-CD1 3.44Å; L284-F313 VanDerWaalsContact CD1-CD1 3.44Å; L284-F313 HydrophobicContact CD1-CD2 4.44Å; L284-F313 HydrophobicContact CD1-CE1 4.24Å; L284-F313 HydrophobicContact CD1-CG 3.55Å; L309-F313 WeakPolarHBondContact O-CB 3.3Å; L309-F313 PolarHBondContact O-N 3.42Å; T310-F313 PolarHBondContact O-N 2.75Å; F313-G315 VanDerWaalsContact C-N 3.3Å; F313-G315 PolarHBondContact O-N 3.48Å; F313-A316 PolarHBondContact O-N 2.77Å; F313-V317 HydrophobicContact CD1-CG2 4.25Å; F313-V317 HydrophobicContact CD2-CG2 4.06Å; F313-V317 HydrophobicContact CE1-CG2 3.8Å; F313-V317 HydrophobicContact CE2-CG2 3.59Å; F313-V317 HydrophobicContact CG-CG2 4.38Å; F313-V317 HydrophobicContact CZ-CG2 3.45Å; F313-V317 VanDerWaalsContact CZ-CG2 3.45Å; F313-V317 WeakPolarHBondContact O-CB 3.34Å; F313-V317 WeakPolarHBondContact O-CG2 3.48Å; F313-V317 PolarHBondContact O-N 3.23Å |
| 314 | C | 85.8 | Confident | 85.7 | Confident | 75 Ų | 75 | 72.5 Ų | 72.5 | 51% | 0.507 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -58.8 | -42.5 | 174.3 | -73.4 | 0 | 0 | 0 | 0 | 111.5 | T310 V311 F318 | T310-C314 WeakPolarHBondContact O-CB 3.43Å; T310-C314 PolarHBondContact O-N 2.82Å; T310-C314 PolarHBondContact O-SG 2.92Å; T310-C314 VanDerWaalsContact O-SG 3.37Å; V311-C314 PolarHBondContact O-N 2.78Å; C314-F318 WeakPolarHBondContact O-CB 3.15Å; C314-F318 PolarHBondContact O-N 3.47Å |
| 315 | G | 84.8 | Confident | 85.7 | Confident | 33 Ų | 33 | 68.8 Ų | 68.8 | 34% | 0.34 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -59.3 | -49.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | V311 F312 F313 F318 T319 | V311-G315 PolarHBondContact O-N 3.09Å; F312-G315 PolarHBondContact O-N 3.41Å; F313-G315 VanDerWaalsContact C-N 3.3Å; F313-G315 PolarHBondContact O-N 3.48Å; G315-F318 PolarHBondContact O-N 3.44Å; G315-T319 WeakPolarHBondContact O-CB 3.34Å; G315-T319 PolarHBondContact O-N 2.89Å; G315-T319 PolarHBondContact O-OG1 3.36Å |
| 316 | A | 85.2 | Confident | 85.5 | Confident | 47 Ų | 47 | 70.2 Ų | 70.2 | 39% | 0.388 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -63.7 | -42.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | F312 F313 A320 | F312-A316 WeakPolarHBondContact O-CB 3.24Å; F312-A316 PolarHBondContact O-N 3.4Å; F313-A316 PolarHBondContact O-N 2.77Å; A316-A320 WeakPolarHBondContact O-CB 3.34Å; A316-A320 PolarHBondContact O-N 2.98Å |
| 317 | V | 85.1 | Confident | 85.2 | Confident | 47 Ų | 47 | 72.9 Ų | 72.9 | 29% | 0.285 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -66.1 | -42.9 | 174.9 | 172.4 | 0 | 0 | 0 | 0 | 110.6 | F313 A320 T321 | F313-V317 HydrophobicContact CD1-CG2 4.25Å; F313-V317 HydrophobicContact CD2-CG2 4.06Å; F313-V317 HydrophobicContact CE1-CG2 3.8Å; F313-V317 HydrophobicContact CE2-CG2 3.59Å; F313-V317 HydrophobicContact CG-CG2 4.38Å; F313-V317 HydrophobicContact CZ-CG2 3.45Å; F313-V317 VanDerWaalsContact CZ-CG2 3.45Å; F313-V317 WeakPolarHBondContact O-CB 3.34Å; F313-V317 WeakPolarHBondContact O-CG2 3.48Å; F313-V317 PolarHBondContact O-N 3.23Å; V317-A320 PolarHBondContact O-N 3.37Å; V317-T321 VanDerWaalsContact O-CB 3.23Å; V317-T321 WeakPolarHBondContact O-CB 3.42Å; V317-T321 PolarHBondContact O-N 2.75Å; V317-T321 PolarHBondContact O-OG1 2.69Å |
| 318 | F | 86.2 | Confident | 84.8 | Confident | 137 Ų | 137 | 73.4 Ų | 73.4 | 60% | 0.601 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -62.7 | -47.2 | 176.1 | -179.5 | -99.4 | 0 | 0 | 0 | 111.3 | C314 G315 A320 T321 L322 | C314-F318 WeakPolarHBondContact O-CB 3.15Å; C314-F318 PolarHBondContact O-N 3.47Å; G315-F318 PolarHBondContact O-N 3.44Å; F318-A320 PolarHBondContact O-N 2.8Å; F318-T321 PolarHBondContact O-N 3.35Å; F318-L322 HydrophobicContact CE1-CD1 3.68Å; F318-L322 HydrophobicContact CZ-CD1 3.87Å; F318-L322 WeakPolarHBondContact O-CB 3.41Å; F318-L322 PolarHBondContact O-N 2.88Å |
| 319 | T | 85.9 | Confident | 84.4 | Confident | 85 Ų | 85 | 73.9 Ų | 73.9 | 52% | 0.521 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -60.1 | -47 | 176.2 | -58.9 | 0 | 0 | 0 | 0 | 111.5 | G315 T321 L322 V323 | G315-T319 WeakPolarHBondContact O-CB 3.34Å; G315-T319 PolarHBondContact O-N 2.89Å; G315-T319 PolarHBondContact O-OG1 3.36Å; T319-T321 VanDerWaalsContact C-N 3.34Å; T319-T321 PolarHBondContact O-N 2.94Å; T319-L322 PolarHBondContact O-N 3Å; T319-V323 WeakPolarHBondContact O-CG2 3.18Å; T319-V323 PolarHBondContact O-N 3.18Å |
| 320 | A | 83 | Confident | 83.6 | Confident | 27 Ų | 27 | 73.3 Ų | 73.3 | 22% | 0.223 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -66.3 | -36.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | A316 V317 F318 N324 | A316-A320 WeakPolarHBondContact O-CB 3.34Å; A316-A320 PolarHBondContact O-N 2.98Å; V317-A320 PolarHBondContact O-N 3.37Å; F318-A320 PolarHBondContact O-N 2.8Å; A320-N324 WeakPolarHBondContact O-CB 3.44Å; A320-N324 VanDerWaalsContact O-CG 3.22Å; A320-N324 PolarHBondContact O-N 3.46Å; A320-N324 PolarHBondContact O-OD1 3.05Å |
| 321 | T | 83.8 | Confident | 83 | Confident | 70 Ų | 70 | 76.1 Ų | 76.1 | 43% | 0.429 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -71.5 | -40.2 | 176.5 | -54.1 | 0 | 0 | 0 | 0 | 110.8 | V317 F318 T319 N324 V325 | V317-T321 VanDerWaalsContact O-CB 3.23Å; V317-T321 WeakPolarHBondContact O-CB 3.42Å; V317-T321 PolarHBondContact O-N 2.75Å; V317-T321 PolarHBondContact O-OG1 2.69Å; F318-T321 PolarHBondContact O-N 3.35Å; T319-T321 VanDerWaalsContact C-N 3.34Å; T319-T321 PolarHBondContact O-N 2.94Å; T321-N324 PolarHBondContact O-N 2.94Å; T321-V325 HydrophobicContact CG2-CG2 4.22Å; T321-V325 VanDerWaalsContact O-CB 3.32Å; T321-V325 WeakPolarHBondContact O-CB 3.44Å; T321-V325 VanDerWaalsContact O-CG2 3.24Å; T321-V325 WeakPolarHBondContact O-CG2 3.44Å; T321-V325 PolarHBondContact O-N 3.31Å |
| 322 | L | 87.6 | Confident | 81.9 | Confident | 81 Ų | 81 | 77.7 Ų | 77.7 | 42% | 0.424 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -62.6 | -44.9 | 174.8 | -174.8 | 154.4 | 0 | 0 | 0 | 110.8 | F318 T319 N324 V325 V326 | F318-L322 HydrophobicContact CE1-CD1 3.68Å; F318-L322 HydrophobicContact CZ-CD1 3.87Å; F318-L322 WeakPolarHBondContact O-CB 3.41Å; F318-L322 PolarHBondContact O-N 2.88Å; T319-L322 PolarHBondContact O-N 3Å; L322-N324 PolarHBondContact O-N 2.95Å; L322-V325 PolarHBondContact O-N 3.04Å; L322-V326 HydrophobicContact CD2-CG2 3.91Å; L322-V326 HydrophobicContact CG-CG2 4.42Å; L322-V326 VanDerWaalsContact O-CB 3.3Å; L322-V326 WeakPolarHBondContact O-CB 3.26Å; L322-V326 VanDerWaalsContact O-CG2 3.24Å; L322-V326 WeakPolarHBondContact O-CG2 3.46Å; L322-V326 PolarHBondContact O-N 3.4Å |
| 323 | V | 84.3 | Confident | 80.7 | Confident | 76 Ų | 76 | 77.3 Ų | 77.3 | 46% | 0.461 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -61.9 | -42.8 | 174.7 | 170.4 | 0 | 0 | 0 | 0 | 111.3 | T319 S327 | T319-V323 WeakPolarHBondContact O-CG2 3.18Å; T319-V323 PolarHBondContact O-N 3.18Å; V323-S327 WeakPolarHBondContact O-CB 3.47Å; V323-S327 PolarHBondContact O-N 2.96Å; V323-S327 PolarHBondContact O-OG 3.07Å |
| 324 | N | 81.6 | Confident | 78.9 | Confident | 90 Ų | 90 | 78 Ų | 78 | 48% | 0.481 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65 | -43 | 176.2 | -75.2 | 7.8 | 0 | 0 | 0 | 112.2 | A320 T321 L322 S327 T328 | A320-N324 WeakPolarHBondContact O-CB 3.44Å; A320-N324 VanDerWaalsContact O-CG 3.22Å; A320-N324 PolarHBondContact O-N 3.46Å; A320-N324 PolarHBondContact O-OD1 3.05Å; T321-N324 PolarHBondContact O-N 2.94Å; L322-N324 PolarHBondContact O-N 2.95Å; N324-S327 PolarHBondContact O-N 3.44Å; N324-T328 WeakPolarHBondContact O-CB 3.48Å; N324-T328 PolarHBondContact O-N 3Å; N324-T328 PolarHBondContact O-OG1 3.25Å |
| 325 | V | 84.7 | Confident | 76.9 | Confident | 72 Ų | 72 | 81 Ų | 81 | 44% | 0.436 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -67.2 | -44.8 | 177.8 | 167.8 | 0 | 0 | 0 | 0 | 110.8 | T321 L322 S327 T328 I329 | T321-V325 HydrophobicContact CG2-CG2 4.22Å; T321-V325 VanDerWaalsContact O-CB 3.32Å; T321-V325 WeakPolarHBondContact O-CB 3.44Å; T321-V325 VanDerWaalsContact O-CG2 3.24Å; T321-V325 WeakPolarHBondContact O-CG2 3.44Å; T321-V325 PolarHBondContact O-N 3.31Å; L322-V325 PolarHBondContact O-N 3.04Å; V325-S327 VanDerWaalsContact C-N 3.32Å; V325-S327 PolarHBondContact O-N 3.2Å; V325-T328 PolarHBondContact O-N 2.89Å; V325-I329 HydrophobicContact CG1-CD1 3.58Å; V325-I329 HydrophobicContact CG1-CG1 4.23Å; V325-I329 WeakPolarHBondContact O-CB 3.32Å; V325-I329 VanDerWaalsContact O-CG1 3.24Å; V325-I329 WeakPolarHBondContact O-CG1 3.31Å; V325-I329 PolarHBondContact O-N 3.04Å |
| 326 | V | 82.9 | Confident | 74.8 | Confident | 82 Ų | 82 | 84.2 Ų | 84.2 | 50% | 0.497 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.6 | -40.4 | 174.6 | 168.9 | 0 | 0 | 0 | 0 | 110.9 | L322 I329 A330 | L322-V326 HydrophobicContact CD2-CG2 3.91Å; L322-V326 HydrophobicContact CG-CG2 4.42Å; L322-V326 VanDerWaalsContact O-CB 3.3Å; L322-V326 WeakPolarHBondContact O-CB 3.26Å; L322-V326 VanDerWaalsContact O-CG2 3.24Å; L322-V326 WeakPolarHBondContact O-CG2 3.46Å; L322-V326 PolarHBondContact O-N 3.4Å; V326-I329 PolarHBondContact O-N 3.41Å; V326-A330 VanDerWaalsContact O-CB 3.25Å; V326-A330 WeakPolarHBondContact O-CB 3.46Å; V326-A330 PolarHBondContact O-N 3.3Å |
| 327 | S | 80.5 | Confident | 72.6 | Confident | 70 Ų | 70 | 88.3 Ų | 88.3 | 49% | 0.49 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.8 | -39.5 | 175 | -56.2 | 0 | 0 | 0 | 0 | 112 | V323 N324 V325 A330 S331 | V323-S327 WeakPolarHBondContact O-CB 3.47Å; V323-S327 PolarHBondContact O-N 2.96Å; V323-S327 PolarHBondContact O-OG 3.07Å; N324-S327 PolarHBondContact O-N 3.44Å; V325-S327 VanDerWaalsContact C-N 3.32Å; V325-S327 PolarHBondContact O-N 3.2Å; S327-A330 PolarHBondContact O-N 2.82Å; S327-S331 PolarHBondContact O-N 2.95Å |
| 328 | T | 78.5 | Confident | 70.5 | Confident | 75 Ų | 75 | 91 Ų | 91 | 46% | 0.46 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -66.6 | -46.1 | 176.8 | -55.5 | 0 | 0 | 0 | 0 | 110.7 | N324 V325 S331 L332 | N324-T328 WeakPolarHBondContact O-CB 3.48Å; N324-T328 PolarHBondContact O-N 3Å; N324-T328 PolarHBondContact O-OG1 3.25Å; V325-T328 PolarHBondContact O-N 2.89Å; T328-S331 PolarHBondContact O-N 3.14Å; T328-S331 VanDerWaalsContact O-N 3.14Å; T328-S331 PolarHBondContact O-OG 2.83Å; T328-L332 HydrophobicContact CG2-CD1 3.92Å; T328-L332 PolarHBondContact O-N 2.86Å |
| 329 | I | 77 | Confident | 68.1 | Low | 83 Ų | 83 | 91.4 Ų | 91.4 | 43% | 0.426 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -61.9 | -43.1 | 174.8 | -70.8 | 172.7 | 0 | 0 | 0 | 110.3 | V325 V326 S331 L332 F333 | V325-I329 HydrophobicContact CG1-CD1 3.58Å; V325-I329 HydrophobicContact CG1-CG1 4.23Å; V325-I329 WeakPolarHBondContact O-CB 3.32Å; V325-I329 VanDerWaalsContact O-CG1 3.24Å; V325-I329 WeakPolarHBondContact O-CG1 3.31Å; V325-I329 PolarHBondContact O-N 3.04Å; V326-I329 PolarHBondContact O-N 3.41Å; I329-S331 VanDerWaalsContact C-N 3.25Å; I329-S331 PolarHBondContact O-N 3.19Å; I329-L332 PolarHBondContact O-N 2.66Å; I329-F333 HydrophobicContact CG2-CD2 3.66Å; I329-F333 HydrophobicContact CG2-CE2 4.16Å; I329-F333 WeakPolarHBondContact O-CB 3.32Å; I329-F333 WeakPolarHBondContact O-CD2 3.3Å; I329-F333 PolarHBondContact O-N 3.08Å |
| 330 | A | 69.6 | Low | 65.8 | Low | 64 Ų | 64 | 96.6 Ų | 96.6 | 53% | 0.529 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -64.2 | -29.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | V326 S327 F333 G334 | V326-A330 VanDerWaalsContact O-CB 3.25Å; V326-A330 WeakPolarHBondContact O-CB 3.46Å; V326-A330 PolarHBondContact O-N 3.3Å; S327-A330 PolarHBondContact O-N 2.82Å; A330-F333 CarbonylContact O-C 3.49Å; A330-G334 PolarHBondContact O-N 3.37Å |
| 331 | S | 76.2 | Confident | 63.9 | Low | 91 Ų | 91 | 103.1 Ų | 103.1 | 64% | 0.636 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -78 | -31.9 | 173 | 75.1 | 0 | 0 | 0 | 0 | 113.7 | S327 T328 I329 | S327-S331 PolarHBondContact O-N 2.95Å; T328-S331 PolarHBondContact O-N 3.14Å; T328-S331 VanDerWaalsContact O-N 3.14Å; T328-S331 PolarHBondContact O-OG 2.83Å; I329-S331 VanDerWaalsContact C-N 3.25Å; I329-S331 PolarHBondContact O-N 3.19Å |
| 332 | L | 64.3 | Low | 61.6 | Low | 134 Ų | 134 | 104.1 Ų | 104.1 | 70% | 0.702 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -80.2 | -43.6 | 178.3 | -102.8 | 137.5 | 0 | 0 | 0 | 112.5 | T328 I329 G334 | T328-L332 HydrophobicContact CG2-CD1 3.92Å; T328-L332 PolarHBondContact O-N 2.86Å; I329-L332 PolarHBondContact O-N 2.66Å; L332-G334 PolarHBondContact O-N 2.99Å |
| 333 | F | 60.7 | Low | 59 | Low | 150 Ų | 150 | 108.5 Ų | 108.5 | 66% | 0.658 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.8 | 40.1 | 169.1 | -60.7 | -88 | 0 | 0 | 0 | 110.2 | I329 A330 I335 | I329-F333 HydrophobicContact CG2-CD2 3.66Å; I329-F333 HydrophobicContact CG2-CE2 4.16Å; I329-F333 WeakPolarHBondContact O-CB 3.32Å; I329-F333 WeakPolarHBondContact O-CD2 3.3Å; I329-F333 PolarHBondContact O-N 3.08Å; A330-F333 CarbonylContact O-C 3.49Å; F333-I335 PolarHBondContact O-N 3.34Å |
| 334 | G | 48.4 | Very low | 56.6 | Low | 49 Ų | 49 | 113.2 Ų | 113.2 | 51% | 0.505 | 65% | 0.647 | S | S | . | * | trans | -63.8 | 88.9 | 159.3 | 0 | 0 | 0 | 0 | 0 | 107.4 | A330 L332 S336 | A330-G334 PolarHBondContact O-N 3.37Å; L332-G334 PolarHBondContact O-N 2.99Å; G334-S336 VanDerWaalsContact C-N 3.34Å; G334-S336 PolarHBondContact O-N 2.85Å | ||
| 335 | I | 44 | Very low | 54.5 | Low | 137 Ų | 137 | 117 Ų | 117 | 70% | 0.703 | 66% | 0.662 | S | S | * | * | trans | -57.7 | 97.3 | -174.1 | -68.4 | 165.1 | 0 | 0 | 0 | 108.3 | F333 N337 | F333-I335 PolarHBondContact O-N 3.34Å; I335-N337 WeakPolarHBondContact CG2-OD1 3.25Å; I335-N337 PolarHBondContact O-N 3.24Å | ||
| 336 | S | 41.8 | Very low | 52.1 | Low | 102 Ų | 102 | 118.5 Ų | 118.5 | 71% | 0.713 | 68% | 0.676 | S | S | * | * | trans | -73.8 | 83 | 172 | 177.8 | 0 | 0 | 0 | 0 | 107.2 | G334 S338 | G334-S336 VanDerWaalsContact C-N 3.34Å; G334-S336 PolarHBondContact O-N 2.85Å; S336-S338 PolarHBondContact O-N 2.94Å | ||
| 337 | N | 39.5 | Very low | 50 | Low | 132 Ų | 132 | 122.3 Ų | 122.3 | 71% | 0.706 | 69% | 0.688 | S | S | * | * | trans | -64.5 | 80.4 | 169 | -87.8 | -5.4 | 0 | 0 | 0 | 109.2 | I335 N339 | I335-N337 WeakPolarHBondContact CG2-OD1 3.25Å; I335-N337 PolarHBondContact O-N 3.24Å; N337-N339 PolarHBondContact O-N 3.28Å | ||
| 338 | S | 39.7 | Very low | 47.8 | Very low | 103 Ų | 103 | 125.7 Ų | 125.7 | 72% | 0.72 | 70% | 0.701 | S | S | * | * | trans | -75.9 | 59.7 | 170.9 | 56.5 | 0 | 0 | 0 | 0 | 110.4 | S336 | S336-S338 PolarHBondContact O-N 2.94Š| ||
| 339 | N | 36 | Very low | 46.2 | Very low | 146 Ų | 146 | 127.2 Ų | 127.2 | 78% | 0.781 | 71% | 0.712 | S | S | * | * | trans | -105 | 70 | 173.2 | -79.5 | 7.7 | 0 | 0 | 0 | 109.6 | N337 | N337-N339 PolarHBondContact O-N 3.28Š| ||
| 340 | E | 38.1 | Very low | 44.4 | Very low | 194 Ų | 194 | 130.1 Ų | 130.1 | 91% | 0.907 | 73% | 0.727 | S | S | * | * | trans | -140.5 | 75.3 | 159 | -137.8 | 179.9 | 118.3 | 0 | 0 | 109.3 | S342 | E340-S342 PolarHBondContact O-N 2.96Š| ||
| 341 | L | 42 | Very low | 42.9 | Very low | 164 Ų | 164 | 133.6 Ų | 133.6 | 86% | 0.859 | 74% | 0.737 | S | S | * | * | trans | -72.3 | 110.9 | 170.3 | -151.5 | 93.3 | 0 | 0 | 0 | 107.9 | ||||
| 342 | S | 35.2 | Very low | 41.6 | Very low | 92 Ų | 92 | 137.7 Ų | 137.7 | 64% | 0.643 | 75% | 0.746 | S | S | * | * | trans | 19.1 | 106.1 | 154.6 | 57.3 | 0 | 0 | 0 | 0 | 117.6 | E340 | E340-S342 PolarHBondContact O-N 2.96Š| ||
| 343 | N | 34.1 | Very low | 40.6 | Very low | 172 Ų | 172 | 135.6 Ų | 135.6 | 92% | 0.92 | 74% | 0.74 | S | S | * | * | trans | -148.5 | 107.5 | 143 | -105.8 | -27.5 | 0 | 0 | 0 | 112.1 | ||||
| 344 | Q | 34.7 | Very low | 39.4 | Very low | 175 Ų | 175 | 135.9 Ų | 135.9 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | trans | -90.5 | 148.7 | 165.7 | -155.2 | 171.3 | 95.8 | 0 | 0 | 107.4 | ||||
| 345 | Q | 37.5 | Very low | 39.4 | Very low | 169 Ų | 169 | 139 Ų | 139 | 79% | 0.79 | 76% | 0.762 | S | S | * | * | trans | 78.8 | 84.1 | 157.4 | -153.2 | 157.3 | -3.4 | 0 | 0 | 119.1 | ||||
| 346 | S | 32.8 | Very low | 39.7 | Very low | 105 Ų | 105 | 137.8 Ų | 137.8 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | trans | 2.2 | 113.7 | 132.8 | -172.2 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 347 | E | 38.4 | Very low | 39.6 | Very low | 162 Ų | 162 | 140.7 Ų | 140.7 | 76% | 0.757 | 77% | 0.771 | S | S | * | * | 177.3 | 139.2 | 106.5 | -100.5 | -170.7 | 80.5 | 0 | 0 | 114.2 | |||||
| 348 | N | 36.2 | Very low | 39.7 | Very low | 140 Ų | 140 | 140.4 Ų | 140.4 | 75% | 0.749 | 77% | 0.774 | S | S | * | * | trans | 69 | 149.8 | 158.8 | -68.1 | -51.3 | 0 | 0 | 0 | 121.6 | ||||
| 349 | P | 43.2 | Very low | 39.7 | Very low | 107 Ų | 107 | 144.2 Ų | 144.2 | 70% | 0.695 | 78% | 0.78 | S | S | * | * | trans | -108.8 | 169 | -164.6 | 41.2 | -32.5 | 0 | 0 | 0 | 113.9 | ||||
| 350 | I | 39.6 | Very low | 39.8 | Very low | 145 Ų | 145 | 143.7 Ų | 143.7 | 74% | 0.744 | 78% | 0.782 | S | S | * | * | trans | 166.2 | 136 | 136.1 | -88.5 | 157 | 0 | 0 | 0 | 111.2 | ||||
| 351 | N | 39.3 | Very low | 40.1 | Very low | 137 Ų | 137 | 141.5 Ų | 141.5 | 73% | 0.733 | 78% | 0.776 | S | S | * | * | trans | 62.9 | 111.4 | 166.3 | -63.1 | -12.5 | 0 | 0 | 0 | 118.9 | ||||
| 352 | Q | 47.5 | Very low | 40.2 | Very low | 177 Ų | 177 | 139.7 Ų | 139.7 | 83% | 0.827 | 77% | 0.772 | S | S | * | * | 101.2 | 160.4 | 73.7 | -113.6 | -155.3 | -41.1 | 0 | 0 | 111.6 | |||||
| 353 | P | 43.8 | Very low | 40.7 | Very low | 89 Ų | 89 | 139.8 Ų | 139.8 | 58% | 0.578 | 77% | 0.768 | S | S | * | * | -117.4 | 173.7 | -121 | 38.6 | -22.8 | 0 | 0 | 0 | 114.2 | |||||
| 354 | D | 36.1 | Very low | 41.4 | Very low | 156 Ų | 156 | 137.3 Ų | 137.3 | 83% | 0.834 | 76% | 0.76 | S | S | * | * | 174.8 | 155.5 | 121.8 | -92.3 | -22.4 | 0 | 0 | 0 | 115.6 | |||||
| 355 | S | 48.3 | Very low | 41.7 | Very low | 114 Ų | 114 | 137 Ų | 137 | 80% | 0.797 | 76% | 0.76 | S | S | * | * | trans | 78.8 | 126.8 | 163.3 | -147.4 | 0 | 0 | 0 | 0 | 120 | ||||
| 356 | P | 49.7 | Very low | 42.1 | Very low | 112 Ų | 112 | 135 Ų | 135 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | trans | -101.9 | 129.5 | -180 | 36.6 | -29.7 | 0 | 0 | 0 | 113.6 | ||||
| 357 | D | 40 | Very low | 42.6 | Very low | 163 Ų | 163 | 134.8 Ų | 134.8 | 87% | 0.872 | 76% | 0.764 | S | S | * | * | trans | -87.4 | 120.6 | 169.8 | -113.5 | -20.1 | 0 | 0 | 0 | 111.7 | Q359 | D357-Q359 PolarHBondContact O-N 3.21Š| ||
| 358 | V | 41.2 | Very low | 43 | Very low | 127 Ų | 127 | 138.3 Ų | 138.3 | 77% | 0.77 | 77% | 0.77 | S | S | * | * | trans | -80.3 | 108 | -173.7 | 177.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 359 | Q | 39.2 | Very low | 43.5 | Very low | 183 Ų | 183 | 143.4 Ų | 143.4 | 86% | 0.855 | 78% | 0.779 | S | S | * | * | trans | -91.6 | 118.1 | 173 | -68.7 | -173.8 | 44.4 | 0 | 0 | 111.8 | D357 L361 | D357-Q359 PolarHBondContact O-N 3.21Å; Q359-L361 PolarHBondContact O-N 2.81Å | ||
| 360 | V | 39.4 | Very low | 44.3 | Very low | 135 Ų | 135 | 144.6 Ų | 144.6 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | -82.1 | 106.5 | -178.6 | -146.3 | 0 | 0 | 0 | 0 | 109.9 | T362 | V360-T362 PolarHBondContact O-N 2.84Š| ||
| 361 | L | 43.3 | Very low | 45.4 | Very low | 147 Ų | 147 | 142.6 Ų | 142.6 | 77% | 0.77 | 78% | 0.78 | S | S | * | * | trans | -90 | 102.7 | -178 | -173.5 | 70.1 | 0 | 0 | 0 | 111.8 | Q359 V363 | Q359-L361 PolarHBondContact O-N 2.81Å; L361-V363 HydrophobicContact CD2-CG2 3.68Å; L361-V363 HydrophobicContact CG-CG2 3.76Å; L361-V363 PolarHBondContact O-N 3Å | ||
| 362 | T | 44.7 | Very low | 46 | Very low | 126 Ų | 126 | 142 Ų | 142 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | trans | -76.8 | 98.6 | 170.5 | -52.6 | 0 | 0 | 0 | 0 | 110.7 | V360 | V360-T362 PolarHBondContact O-N 2.84Š| ||
| 363 | V | 45.4 | Very low | 46.1 | Very low | 94 Ų | 94 | 142.7 Ų | 142.7 | 57% | 0.57 | 79% | 0.787 | S | S | * | * | trans | -89.4 | 105.6 | 176.7 | -174.8 | 0 | 0 | 0 | 0 | 110.8 | L361 M365 | L361-V363 HydrophobicContact CD2-CG2 3.68Å; L361-V363 HydrophobicContact CG-CG2 3.76Å; L361-V363 PolarHBondContact O-N 3Å; V363-M365 HydrophobicContact CG1-CG 4.21Å; V363-M365 HydrophobicContact CG1-SD 4.47Å; V363-M365 PolarHBondContact O-N 3.07Å; V363-M365 VanDerWaalsContact O-N 3.14Å | ||
| 364 | T | 48.4 | Very low | 46.4 | Very low | 121 Ų | 121 | 144.7 Ų | 144.7 | 74% | 0.742 | 80% | 0.798 | S | S | * | * | trans | -77.7 | 95.6 | 169.2 | -52.4 | 0 | 0 | 0 | 0 | 110.5 | V366 | T364-V366 PolarHBondContact O-N 2.93Š| ||
| 365 | M | 41.5 | Very low | 46.5 | Very low | 169 Ų | 169 | 143.1 Ų | 143.1 | 83% | 0.833 | 80% | 0.799 | S | S | * | * | trans | -71.7 | 114.2 | 174.1 | -77 | -75.3 | -80.3 | 0 | 0 | 111.4 | V363 | V363-M365 HydrophobicContact CG1-CG 4.21Å; V363-M365 HydrophobicContact CG1-SD 4.47Å; V363-M365 PolarHBondContact O-N 3.07Å; V363-M365 VanDerWaalsContact O-N 3.14Å | ||
| 366 | V | 47.2 | Very low | 46.5 | Very low | 127 Ų | 127 | 143.6 Ų | 143.6 | 77% | 0.77 | 80% | 0.797 | S | S | * | * | trans | -97.3 | 103.2 | 170.8 | 178.3 | 0 | 0 | 0 | 0 | 109.6 | T364 R368 | T364-V366 PolarHBondContact O-N 2.93Å; V366-R368 PolarHBondContact O-N 2.95Å | ||
| 367 | A | 41.6 | Very low | 46.1 | Very low | 100 Ų | 100 | 145.3 Ų | 145.3 | 83% | 0.826 | 80% | 0.8 | S | S | * | * | trans | -75.3 | 114.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 368 | R | 47.1 | Very low | 46 | Very low | 236 Ų | 236 | 146.6 Ų | 146.6 | 89% | 0.891 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 124.9 | 164.5 | -95.7 | -176.3 | 173.9 | 160 | 0.3 | 109.9 | V366 V370 | V366-R368 PolarHBondContact O-N 2.95Å; R368-V370 PolarHBondContact O-N 2.99Å |
| 369 | R | 47.6 | Very low | 46.1 | Very low | 247 Ų | 247 | 146.8 Ų | 146.8 | 93% | 0.932 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 123.5 | 168 | -75.4 | -177 | 172.7 | 176 | -2.6 | 109.8 | ||
| 370 | V | 59.1 | Low | 45.9 | Very low | 131 Ų | 131 | 145.2 Ų | 145.2 | 79% | 0.794 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -81 | 132 | 162.7 | -178.9 | 0 | 0 | 0 | 0 | 107.3 | R368 | R368-V370 PolarHBondContact O-N 2.99Š|
| 371 | P | 63.4 | Low | 45.8 | Very low | 104 Ų | 104 | 144.1 Ų | 144.1 | 68% | 0.675 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -68 | 147.5 | 176.3 | 28.6 | -34.1 | 0 | 0 | 0 | 110.8 | Q373 | P371-Q373 PolarHBondContact O-N 3.43Š|
| 372 | P | 51.8 | Low | 45.7 | Very low | 125 Ų | 125 | 143.7 Ų | 143.7 | 81% | 0.812 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 130.9 | -178.2 | 28.6 | -34.1 | 0 | 0 | 0 | 110.5 | ||
| 373 | Q | 50.2 | Low | 45.2 | Very low | 190 Ų | 190 | 142.2 Ų | 142.2 | 89% | 0.888 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 130.1 | 166.2 | -69 | -164.9 | 38.8 | 0 | 0 | 109.2 | P371 S375 | P371-Q373 PolarHBondContact O-N 3.43Å; Q373-S375 PolarHBondContact O-N 2.99Å |
| 374 | T | 48.9 | Very low | 44.5 | Very low | 132 Ų | 132 | 147 Ų | 147 | 81% | 0.81 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 124.1 | 178.8 | 39.6 | 0 | 0 | 0 | 0 | 111.7 | ||
| 375 | S | 39.4 | Very low | 43.9 | Very low | 122 Ų | 122 | 150.9 Ų | 150.9 | 85% | 0.853 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 125.8 | 176.6 | -19.3 | 0 | 0 | 0 | 0 | 111.6 | Q373 | Q373-S375 PolarHBondContact O-N 2.99Š|
| 376 | V | 48.2 | Very low | 43.5 | Very low | 124 Ų | 124 | 150.5 Ų | 150.5 | 75% | 0.752 | 82% | 0.818 | S | S | * | * | trans | -137.9 | 129.3 | 162.7 | 180 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 377 | N | 40.6 | Very low | 43 | Very low | 149 Ų | 149 | 148.3 Ų | 148.3 | 80% | 0.797 | 82% | 0.821 | S | S | * | * | trans | 56.8 | 93.2 | 172.1 | -71.3 | -6.3 | 0 | 0 | 0 | 118.4 | ||||
| 378 | Q | 37.9 | Very low | 42.5 | Very low | 189 Ų | 189 | 153.1 Ų | 153.1 | 88% | 0.883 | 83% | 0.826 | S | S | * | * | trans | -128.7 | 89.2 | 143.4 | -169.7 | 169.2 | 57.3 | 0 | 0 | 109.5 | N380 | Q378-N380 PolarHBondContact O-N 3.14Š| ||
| 379 | T | 43 | Very low | 42 | Very low | 131 Ų | 131 | 147.1 Ų | 147.1 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | trans | -81.8 | 108.9 | 163.8 | 40.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 380 | N | 35.7 | Very low | 41.5 | Very low | 150 Ų | 150 | 138.8 Ų | 138.8 | 80% | 0.802 | 80% | 0.804 | S | S | * | * | trans | -2.8 | 121 | 155.7 | -56.7 | -20.5 | 0 | 0 | 0 | 117.1 | Q378 | Q378-N380 PolarHBondContact O-N 3.14Š| ||
| 381 | S | 37.5 | Very low | 40.5 | Very low | 112 Ų | 112 | 140.9 Ų | 140.9 | 78% | 0.783 | 81% | 0.805 | S | S | * | * | -163.6 | 97 | 126.2 | -83.9 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 382 | T | 39.9 | Very low | 39.1 | Very low | 138 Ų | 138 | 143.5 Ų | 143.5 | 85% | 0.847 | 81% | 0.813 | S | S | * | * | trans | 25.5 | 106.8 | 140.1 | 53 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 383 | S | 35.6 | Very low | 38.6 | Very low | 96 Ų | 96 | 144.5 Ų | 144.5 | 67% | 0.671 | 81% | 0.807 | S | S | * | * | trans | -66.8 | 163.4 | 157.2 | 52.3 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 384 | F | 30.6 | Very low | 38 | Very low | 195 Ų | 195 | 142.2 Ų | 142.2 | 86% | 0.855 | 80% | 0.796 | S | S | * | * | trans | 70.4 | 99 | 166.7 | -68.6 | -81.7 | 0 | 0 | 0 | 118 | ||||
| 385 | F | 34.8 | Very low | 37.3 | Very low | 202 Ų | 202 | 143.8 Ų | 143.8 | 89% | 0.886 | 80% | 0.798 | S | S | * | * | trans | -147.3 | 161.2 | 137.2 | -116.8 | -83 | 0 | 0 | 0 | 111.1 | ||||
| 386 | L | 34.4 | Very low | 37.4 | Very low | 161 Ų | 161 | 144 Ų | 144 | 84% | 0.843 | 79% | 0.788 | S | S | * | * | trans | -56.1 | 155.7 | -165 | -80.5 | 60.2 | 0 | 0 | 0 | 116.2 | ||||
| 387 | G | 35.7 | Very low | 37.5 | Very low | 81 Ų | 81 | 144.8 Ų | 144.8 | 84% | 0.835 | 79% | 0.793 | S | S | * | * | trans | -169.5 | 55.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 388 | E | 31.7 | Very low | 37.8 | Very low | 201 Ų | 201 | 144.6 Ų | 144.6 | 94% | 0.939 | 79% | 0.792 | S | S | * | * | trans | -71.1 | 125.8 | 170.1 | -178.3 | 176.3 | 109.2 | 0 | 0 | 110.3 | ||||
| 389 | S | 35.2 | Very low | 38 | Very low | 109 Ų | 109 | 143.8 Ų | 143.8 | 76% | 0.762 | 79% | 0.788 | S | S | * | * | trans | 160.7 | 122.4 | 145.5 | -173 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 390 | A | 37.2 | Very low | 38.4 | Very low | 72 Ų | 72 | 142.8 Ų | 142.8 | 60% | 0.595 | 78% | 0.784 | S | S | * | * | trans | 23.5 | 123.5 | 146.6 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 391 | H | 38.5 | Very low | 38.6 | Very low | 175 Ų | 175 | 142.2 Ų | 142.2 | 81% | 0.81 | 78% | 0.781 | S | S | * | * | -168.2 | 144.5 | 90.6 | -103.5 | 74.1 | 0 | 0 | 0 | 112.6 | |||||
| 392 | N | 34.5 | Very low | 39 | Very low | 159 Ų | 159 | 141.4 Ų | 141.4 | 85% | 0.85 | 78% | 0.775 | S | S | * | * | trans | -111.2 | 130 | 178.4 | -152 | 11 | 0 | 0 | 0 | 108.8 | ||||
| 393 | H | 40.9 | Very low | 39.2 | Very low | 146 Ų | 146 | 143.4 Ų | 143.4 | 68% | 0.676 | 78% | 0.775 | S | S | * | * | trans | -144.5 | 139.4 | 176.2 | -100.2 | -100.6 | 0 | 0 | 0 | 106.9 | ||||
| 394 | Q | 37.9 | Very low | 39.6 | Very low | 142 Ų | 142 | 143.4 Ų | 143.4 | 66% | 0.664 | 78% | 0.775 | S | S | * | * | cis | -159.6 | 140.2 | -1.5 | -174.2 | 164.4 | -4.8 | 0 | 0 | 108.6 | I396 | Q394-I396 HydrophobicContact CG-CG1 4.37Š| ||
| 395 | I | 34.9 | Very low | 40.3 | Very low | 166 Ų | 166 | 141.9 Ų | 141.9 | 85% | 0.851 | 77% | 0.77 | S | S | * | * | trans | -102.1 | 132.5 | 173.1 | -64.3 | 171.9 | 0 | 0 | 0 | 108.2 | ||||
| 396 | I | 41 | Very low | 40.7 | Very low | 127 Ų | 127 | 138.1 Ų | 138.1 | 65% | 0.651 | 76% | 0.764 | S | S | * | * | trans | -143.9 | 104.2 | 163.5 | -54.8 | 179.2 | 0 | 0 | 0 | 108.8 | Q394 | Q394-I396 HydrophobicContact CG-CG1 4.37Š| ||
| 397 | V | 50.9 | Low | 41.3 | Very low | 140 Ų | 140 | 141 Ų | 141 | 85% | 0.848 | 76% | 0.764 | S | S | * | * | trans | -144.3 | 123.8 | 148.6 | -179.3 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 398 | D | 45.3 | Very low | 41.9 | Very low | 144 Ų | 144 | 142.4 Ų | 142.4 | 77% | 0.77 | 76% | 0.756 | S | S | * | * | trans | -74.4 | 148.4 | -173.6 | -72.7 | -77.7 | 0 | 0 | 0 | 114.5 | ||||
| 399 | E | 43.6 | Very low | 42.8 | Very low | 173 Ų | 173 | 144.1 Ų | 144.1 | 81% | 0.808 | 77% | 0.772 | S | S | * | * | trans | -131.5 | 144.7 | 144.3 | -164.5 | -156.6 | 103.9 | 0 | 0 | 106.7 | ||||
| 400 | P | 49.9 | Very low | 43.2 | Very low | 110 Ų | 110 | 145.9 Ų | 145.9 | 71% | 0.714 | 77% | 0.772 | S | S | * | * | -145 | 142.1 | 128.1 | 35.8 | -21.7 | 0 | 0 | 0 | 115.4 | |||||
| 401 | N | 40.9 | Very low | 43.5 | Very low | 138 Ų | 138 | 149.7 Ų | 149.7 | 74% | 0.738 | 78% | 0.781 | S | S | * | * | trans | 57.9 | 119 | 143.5 | -97.4 | -0.1 | 0 | 0 | 0 | 119.1 | ||||
| 402 | S | 46.2 | Very low | 43.8 | Very low | 94 Ų | 94 | 148.3 Ų | 148.3 | 66% | 0.657 | 78% | 0.78 | S | S | * | * | 173.8 | 127.4 | 84.7 | -100.4 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 403 | E | 44.2 | Very low | 44.4 | Very low | 180 Ų | 180 | 147.7 Ų | 147.7 | 84% | 0.841 | 78% | 0.776 | S | S | * | * | trans | 32 | 121.2 | 137.9 | -68.6 | 179.7 | 102.8 | 0 | 0 | 121.9 | ||||
| 404 | S | 42.6 | Very low | 44.6 | Very low | 97 Ų | 97 | 147.8 Ų | 147.8 | 68% | 0.678 | 78% | 0.782 | S | S | * | * | 97.8 | 137.7 | 125.5 | -158.5 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 405 | Q | 45.3 | Very low | 45 | Very low | 162 Ų | 162 | 148.2 Ų | 148.2 | 76% | 0.757 | 79% | 0.79 | S | S | * | * | trans | 75 | 93.1 | 146.7 | -85.5 | 165.4 | -12 | 0 | 0 | 121.8 | ||||
| 406 | T | 44.8 | Very low | 45.8 | Very low | 123 Ų | 123 | 146.9 Ų | 146.9 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | 57.3 | 118.2 | 114.1 | 56.4 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 407 | R | 45.8 | Very low | 46.1 | Very low | 223 Ų | 223 | 148.5 Ų | 148.5 | 84% | 0.842 | 80% | 0.796 | S | S | * | * | 94.4 | 121.4 | 114.8 | -173.2 | -176.4 | 178.3 | 153.6 | 4.2 | 119.4 | |||||
| 408 | T | 47.8 | Very low | 45.7 | Very low | 109 Ų | 109 | 149.2 Ų | 149.2 | 67% | 0.669 | 79% | 0.791 | S | S | * | * | trans | 54.8 | 121.7 | 156.6 | 57.4 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 409 | D | 52.5 | Low | 45.8 | Very low | 237 Ų | 237 | 149.6 Ų | 149.6 | 100% | 1.267 | 79% | 0.793 | S | S | * | * | -124.5 | 0 | 91.6 | -88.6 | -38.8 | 0 | 0 | 0 | 109.5 |
Retrieved 409 of 409 residues in 526.5 ms
(Link to these results)