| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 42.8 | Very low | 60.5 | Low | 207 Ų | 207 | 103.8 Ų | 103.8 | 100% | 1.02 | 53% | 0.532 | S | S | * | . | 0 | 110.1 | 0 | -119.9 | 165.4 | 77.5 | 0 | 0 | 107.4 | M3 L6 | M1-M3 PolarHBondContact O-N 3.32Å; M1-L6 HydrophobicContact CE-CD1 3.81Å; M1-L6 HydrophobicContact CE-CG 4.4Å | |||
| 2 | N | 45.1 | Very low | 62.7 | Low | 119 Ų | 119 | 104.8 Ų | 104.8 | 64% | 0.636 | 53% | 0.532 | S | S | * | . | trans | -68 | 130.8 | -175 | -80.1 | -9.5 | 0 | 0 | 0 | 110.4 | S4 V5 | N2-S4 PolarHBondContact O-N 2.97Å; N2-V5 HydrophobicContact CB-CG2 4.3Å; N2-V5 WeakPolarHBondContact O-CB 3.27Å; N2-V5 PolarHBondContact O-N 3.35Å | ||
| 3 | M | 46.7 | Very low | 64.8 | Low | 161 Ų | 161 | 103.8 Ų | 103.8 | 79% | 0.793 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -55.9 | -23.2 | 179.9 | -168.9 | 156.7 | 56.3 | 0 | 0 | 113.3 | M1 T7 | M1-M3 PolarHBondContact O-N 3.32Å; M3-T7 PolarHBondContact O-N 3.05Å; M3-T7 PolarHBondContact O-OG1 3.35Å |
| 4 | S | 51.8 | Low | 66.6 | Low | 52 Ų | 52 | 96.4 Ų | 96.4 | 36% | 0.364 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -68.4 | -26 | 172.7 | 48.1 | 0 | 0 | 0 | 0 | 114.5 | N2 T7 L8 | N2-S4 PolarHBondContact O-N 2.97Å; S4-T7 WeakPolarHBondContact CA-OG1 3.36Å; S4-T7 PolarHBondContact O-OG1 2.9Å; S4-L8 WeakPolarHBondContact O-CD1 3.2Å; S4-L8 VanDerWaalsContact O-CG 3.28Å; S4-L8 WeakPolarHBondContact O-CG 3.3Å; S4-L8 PolarHBondContact O-N 3.35Å |
| 5 | V | 52.2 | Low | 68 | Low | 100 Ų | 100 | 96.1 Ų | 96.1 | 61% | 0.606 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -77.5 | -37.4 | 179.3 | 179.2 | 0 | 0 | 0 | 0 | 110.8 | N2 L8 | N2-V5 HydrophobicContact CB-CG2 4.3Å; N2-V5 WeakPolarHBondContact O-CB 3.27Å; N2-V5 PolarHBondContact O-N 3.35Å; V5-L8 PolarHBondContact O-N 3.32Å |
| 6 | L | 51.5 | Low | 69.4 | Low | 104 Ų | 104 | 99.7 Ų | 99.7 | 55% | 0.545 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -68.1 | -35.6 | 176.3 | -101.4 | 147.9 | 0 | 0 | 0 | 112.4 | M1 L8 | M1-L6 HydrophobicContact CE-CD1 3.81Å; M1-L6 HydrophobicContact CE-CG 4.4Å; L6-L8 VanDerWaalsContact C-N 3.31Å; L6-L8 PolarHBondContact O-N 3.2Å |
| 7 | T | 58.2 | Low | 70.8 | Confident | 56 Ų | 56 | 95.9 Ų | 95.9 | 34% | 0.344 | 47% | 0.474 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -9.9 | 178.3 | 50.3 | 0 | 0 | 0 | 0 | 114.2 | M3 S4 R80 | M3-T7 PolarHBondContact O-N 3.05Å; M3-T7 PolarHBondContact O-OG1 3.35Å; S4-T7 WeakPolarHBondContact CA-OG1 3.36Å; S4-T7 PolarHBondContact O-OG1 2.9Å; T7-R80 PolarHBondContact O-NH1 2.99Å |
| 8 | L | 66.2 | Low | 72 | Confident | 42 Ų | 42 | 94.8 Ų | 94.8 | 22% | 0.22 | 47% | 0.471 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | -6 | 174.4 | -73.4 | 170.4 | 0 | 0 | 0 | 113.5 | S4 V5 L6 E10 Y87 V108 | S4-L8 WeakPolarHBondContact O-CD1 3.2Å; S4-L8 VanDerWaalsContact O-CG 3.28Å; S4-L8 WeakPolarHBondContact O-CG 3.3Å; S4-L8 PolarHBondContact O-N 3.35Å; V5-L8 PolarHBondContact O-N 3.32Å; L6-L8 VanDerWaalsContact C-N 3.31Å; L6-L8 PolarHBondContact O-N 3.2Å; L8-E10 PolarHBondContact O-N 2.97Å; L8-Y87 HydrophobicContact CD1-CD1 4.42Å; L8-Y87 HydrophobicContact CD1-CD2 3.71Å; L8-Y87 HydrophobicContact CD1-CE2 4.36Å; L8-Y87 HydrophobicContact CD1-CG 3.74Å; L8-V108 VanDerWaalsContact O-CG2 3.26Å; L8-V108 WeakPolarHBondContact O-CG2 3.47Å |
| 9 | Q | 79.6 | Confident | 73 | Confident | 132 Ų | 132 | 91.8 Ų | 91.8 | 62% | 0.617 | 46% | 0.455 | S | S | * | . | S | Bend | trans | -67 | 123.2 | 171.9 | -172.1 | 170.5 | -2.7 | 0 | 0 | 109.2 | R80 | Q9-R80 PolarHBondContact O-NH1 2.67Å; Q9-R80 PolarHBondContact O-NH2 3.28Å |
| 10 | E | 83.1 | Confident | 73.9 | Confident | 60 Ų | 60 | 92.4 Ų | 92.4 | 28% | 0.28 | 46% | 0.46 | S | S | . | . | P | Polyproline II helix | trans | -67.5 | 137.6 | -179.8 | -65.2 | 168.9 | -102.7 | 0 | 0 | 111.4 | L8 E14 K15 P107 V108 | L8-E10 PolarHBondContact O-N 2.97Å; E10-E14 WeakPolarHBondContact CA-OE2 3.4Å; E10-K15 HydrophobicContact CB-CD 4.34Å; E10-K15 HydrophobicContact CB-CG 3.62Å; E10-K15 HydrophobicContact CG-CG 4.39Å; E10-K15 WeakPolarHBondContact OE2-CG 2.76Å; E10-P107 HydrophobicContact CG-CB 3.58Å; E10-P107 VanDerWaalsContact OE1-CB 3.24Å; E10-P107 WeakPolarHBondContact OE1-CB 3.38Å; E10-P107 WeakPolarHBondContact OE2-CB 3.23Å; E10-V108 HydrophobicContact CG-CG2 4.05Å |
| 11 | Y | 88.1 | Confident | 74.9 | Confident | 109 Ų | 109 | 94 Ų | 94 | 43% | 0.427 | 47% | 0.466 | S | S | . | . | P | Polyproline II helix | trans | -75.5 | 155.4 | 164.1 | -61.7 | -54.8 | 0 | 0 | 0 | 110.3 | F13 E14 K15 | Y11-F13 VanDerWaalsContact C-N 3.25Å; Y11-F13 AromaticContact CD2-CE1 3.65Å; Y11-F13 HydrophobicContact CD2-CE1 3.65Å; Y11-F13 AromaticContact CD2-CZ 3.88Å; Y11-F13 HydrophobicContact CD2-CZ 3.88Å; Y11-F13 HydrophobicContact CG-CD1 4.48Å; Y11-F13 AromaticContact CG-CE1 3.79Å; Y11-F13 HydrophobicContact CG-CE1 3.79Å; Y11-F13 HydrophobicContact CG-CZ 4.42Å; Y11-F13 PolarHBondContact O-N 2.74Å; Y11-E14 PolarHBondContact N-OE2 3.18Å; Y11-E14 WeakPolarHBondContact O-CB 3.25Å; Y11-E14 PolarHBondContact O-N 2.9Å; Y11-K15 PolarHBondContact O-N 3.18Å; Y11-K15 VanDerWaalsContact O-N 3.11Å |
| 12 | E | 87.6 | Confident | 77.3 | Confident | 115 Ų | 115 | 84.4 Ų | 84.4 | 54% | 0.537 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -56.7 | -37.8 | -177.7 | -68.1 | -57.2 | 121.6 | 0 | 0 | 113.1 | E14 K15 Q16 | E12-E14 VanDerWaalsContact C-N 3.33Å; E12-E14 PolarHBondContact O-N 3.43Å; E12-K15 PolarHBondContact O-N 3.06Å; E12-K15 IonicContact OE1-NZ 3.56Å; E12-K15 PolarHBondContact OE1-NZ 3.13Å; E12-Q16 VanDerWaalsContact O-CG 3.29Å; E12-Q16 WeakPolarHBondContact O-CG 3.17Å; E12-Q16 PolarHBondContact O-N 3.37Å; E12-Q16 VanDerWaalsContact O-N 3.09Å |
| 13 | F | 89.5 | Confident | 79.6 | Confident | 92 Ų | 92 | 79.4 Ų | 79.4 | 40% | 0.404 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -69.9 | -28.2 | 177.2 | 73.8 | -93.4 | 0 | 0 | 0 | 113.2 | Y11 F17 F111 W112 | Y11-F13 VanDerWaalsContact C-N 3.25Å; Y11-F13 AromaticContact CD2-CE1 3.65Å; Y11-F13 HydrophobicContact CD2-CE1 3.65Å; Y11-F13 AromaticContact CD2-CZ 3.88Å; Y11-F13 HydrophobicContact CD2-CZ 3.88Å; Y11-F13 HydrophobicContact CG-CD1 4.48Å; Y11-F13 AromaticContact CG-CE1 3.79Å; Y11-F13 HydrophobicContact CG-CE1 3.79Å; Y11-F13 HydrophobicContact CG-CZ 4.42Å; Y11-F13 PolarHBondContact O-N 2.74Å; F13-F17 PolarHBondContact O-N 3.45Å; F13-F111 HydrophobicContact CD2-CD1 4.25Å; F13-F111 HydrophobicContact CD2-CD2 4.27Å; F13-F111 HydrophobicContact CD2-CE1 4.24Å; F13-F111 HydrophobicContact CD2-CE2 4.26Å; F13-F111 HydrophobicContact CD2-CG 4.26Å; F13-F111 HydrophobicContact CD2-CZ 4.24Å; F13-F111 AromaticContact CE2-CD1 3.61Å; F13-F111 HydrophobicContact CE2-CD1 3.61Å; F13-F111 HydrophobicContact CE2-CD2 4.43Å; F13-F111 AromaticContact CE2-CE1 3.61Å; F13-F111 HydrophobicContact CE2-CE1 3.61Å; F13-F111 HydrophobicContact CE2-CE2 4.43Å; F13-F111 HydrophobicContact CE2-CG 4.03Å; F13-F111 HydrophobicContact CE2-CZ 4.04Å; F13-W112 HydrophobicContact CZ-CZ2 4.32Å |
| 14 | E | 90.4 | Very high | 82 | Confident | 0 Ų | 0 | 77 Ų | 77 | 0% | 0 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -73.3 | -39.9 | 176.4 | -63.7 | 170.1 | 155.7 | 0 | 0 | 109.9 | E10 Y11 E12 F17 R80 K110 F111 W112 | E10-E14 WeakPolarHBondContact CA-OE2 3.4Å; Y11-E14 PolarHBondContact N-OE2 3.18Å; Y11-E14 WeakPolarHBondContact O-CB 3.25Å; Y11-E14 PolarHBondContact O-N 2.9Å; E12-E14 VanDerWaalsContact C-N 3.33Å; E12-E14 PolarHBondContact O-N 3.43Å; E14-F17 WeakPolarHBondContact O-CB 3.43Å; E14-F17 PolarHBondContact O-N 2.99Å; E14-R80 IonicContact OE1-CZ 2.75Å; E14-R80 IonicContact OE1-NE 3.53Å; E14-R80 PolarHBondContact OE1-NE 2.85Å; E14-R80 IonicContact OE1-NH2 3.79Å; E14-R80 PolarHBondContact OE1-NH2 3.47Å; E14-R80 IonicContact OE2-CZ 2.96Å; E14-R80 IonicContact OE2-NE 3.93Å; E14-R80 IonicContact OE2-NH2 2.83Å; E14-R80 PolarHBondContact OE2-NH2 3.29Å; E14-K110 WeakPolarHBondContact O-CE 3.15Å; E14-F111 HydrophobicContact CG-CB 4.42Å; E14-W112 PolarHBondContact OE1-NE1 3.15Å |
| 15 | K | 87.6 | Confident | 84.1 | Confident | 92 Ų | 92 | 78.6 Ų | 78.6 | 40% | 0.4 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -61.3 | -45.2 | 175.2 | -64.3 | 177.9 | -172.8 | 167.1 | 0 | 112.1 | E10 Y11 E12 F17 | E10-K15 HydrophobicContact CB-CD 4.34Å; E10-K15 HydrophobicContact CB-CG 3.62Å; E10-K15 HydrophobicContact CG-CG 4.39Å; E10-K15 WeakPolarHBondContact OE2-CG 2.76Å; Y11-K15 PolarHBondContact O-N 3.18Å; Y11-K15 VanDerWaalsContact O-N 3.11Å; E12-K15 PolarHBondContact O-N 3.06Å; E12-K15 IonicContact OE1-NZ 3.56Å; E12-K15 PolarHBondContact OE1-NZ 3.13Å; K15-F17 PolarHBondContact O-N 3.43Å |
| 16 | Q | 90.1 | Very high | 86.1 | Confident | 154 Ų | 154 | 73.9 Ų | 73.9 | 72% | 0.72 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -12.9 | -177.9 | -69.5 | 175.4 | 2.9 | 0 | 0 | 113.4 | E12 N18 | E12-Q16 VanDerWaalsContact O-CG 3.29Å; E12-Q16 WeakPolarHBondContact O-CG 3.17Å; E12-Q16 PolarHBondContact O-N 3.37Å; E12-Q16 VanDerWaalsContact O-N 3.09Å; Q16-N18 PolarHBondContact O-N 3.33Å |
| 17 | F | 92.8 | Very high | 88.1 | Confident | 35 Ų | 35 | 73.3 Ų | 73.3 | 15% | 0.154 | 34% | 0.344 | C | S | . | . | trans | -69.3 | 125.6 | -179.8 | -177.2 | -102.5 | 0 | 0 | 0 | 111.2 | F13 E14 K15 E19 A22 K110 F111 Y114 | F13-F17 PolarHBondContact O-N 3.45Å; E14-F17 WeakPolarHBondContact O-CB 3.43Å; E14-F17 PolarHBondContact O-N 2.99Å; K15-F17 PolarHBondContact O-N 3.43Å; F17-E19 HydrophobicContact CE1-CB 4.34Å; F17-E19 PolarHBondContact O-N 2.87Å; F17-A22 HydrophobicContact CE1-CB 3.99Å; F17-A22 HydrophobicContact CE2-CB 4.38Å; F17-A22 HydrophobicContact CZ-CB 3.48Å; F17-A22 VanDerWaalsContact CZ-CB 3.48Å; F17-K110 HydrophobicContact CD1-CB 4.36Å; F17-K110 HydrophobicContact CD1-CD 4.37Å; F17-K110 HydrophobicContact CD1-CG 3.96Å; F17-K110 WeakPolarHBondContact O-CE 3.45Å; F17-K110 PolarHBondContact O-NZ 2.66Å; F17-F111 HydrophobicContact CB-CB 4.31Å; F17-F111 HydrophobicContact CB-CD2 4.43Å; F17-F111 HydrophobicContact CD1-CB 4.18Å; F17-F111 AromaticContact CD2-CD2 3.73Å; F17-F111 HydrophobicContact CD2-CD2 3.73Å; F17-F111 HydrophobicContact CE2-CD2 4.15Å; F17-F111 HydrophobicContact CG-CB 4.08Å; F17-F111 HydrophobicContact CG-CD2 4.08Å; F17-Y114 AromaticContact CE2-CD1 3.7Å; F17-Y114 HydrophobicContact CE2-CD1 3.7Å; F17-Y114 HydrophobicContact CE2-CE1 4.31Å; F17-Y114 HydrophobicContact CE2-CG 4.36Å; F17-Y114 AromaticContact CZ-CD1 3.49Å; F17-Y114 HydrophobicContact CZ-CD1 3.49Å; F17-Y114 VanDerWaalsContact CZ-CD1 3.49Å; F17-Y114 HydrophobicContact CZ-CE1 4.33Å; F17-Y114 AromaticContact CZ-CG 3.69Å; F17-Y114 HydrophobicContact CZ-CG 3.69Å | ||
| 18 | N | 92.4 | Very high | 89.9 | Confident | 76 Ų | 76 | 76.5 Ų | 76.5 | 41% | 0.406 | 36% | 0.355 | S | S | . | . | trans | -90.6 | 97.5 | 177.1 | -174.4 | -6.4 | 0 | 0 | 0 | 110.6 | Q16 N20 E21 A22 | Q16-N18 PolarHBondContact O-N 3.33Å; N18-N20 VanDerWaalsContact C-N 3.3Å; N18-N20 PolarHBondContact O-N 3.11Å; N18-N20 PolarHBondContact OD1-N 3.21Å; N18-E21 HydrophobicContact CB-CB 4.19Å; N18-E21 PolarHBondContact OD1-N 3.48Å; N18-A22 PolarHBondContact O-N 3.35Å | ||
| 19 | E | 91.2 | Very high | 91.3 | Very high | 39 Ų | 39 | 75.6 Ų | 75.6 | 18% | 0.182 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -63.9 | -33.1 | 179.2 | 63.5 | -81 | -170.8 | 0 | 0 | 113.3 | F17 A22 I23 N105 K110 | F17-E19 HydrophobicContact CE1-CB 4.34Å; F17-E19 PolarHBondContact O-N 2.87Å; E19-A22 PolarHBondContact O-N 3.41Å; E19-I23 WeakPolarHBondContact O-CB 3.31Å; E19-I23 WeakPolarHBondContact O-CD1 3.47Å; E19-I23 VanDerWaalsContact O-CG1 3.25Å; E19-I23 WeakPolarHBondContact O-CG1 3.17Å; E19-I23 PolarHBondContact O-N 3.48Å; E19-N105 HydrophobicContact CG-CB 4.29Å; E19-N105 WeakPolarHBondContact CG-OD1 3.19Å; E19-K110 HydrophobicContact CB-CB 4.2Å; E19-K110 HydrophobicContact CB-CD 4.28Å; E19-K110 HydrophobicContact CG-CD 4.49Å; E19-K110 WeakPolarHBondContact OE2-CD 3.35Å; E19-K110 IonicContact OE2-NZ 3.32Å; E19-K110 PolarHBondContact OE2-NZ 2.93Å |
| 20 | N | 92.2 | Very high | 92 | Very high | 103 Ų | 103 | 71.4 Ų | 71.4 | 55% | 0.551 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -67.1 | -43 | -177.9 | -65.7 | -50.3 | 0 | 0 | 0 | 111.2 | N18 A22 I23 Q24 | N18-N20 VanDerWaalsContact C-N 3.3Å; N18-N20 PolarHBondContact O-N 3.11Å; N18-N20 PolarHBondContact OD1-N 3.21Å; N20-A22 VanDerWaalsContact C-N 3.34Å; N20-I23 PolarHBondContact O-N 2.97Å; N20-Q24 WeakPolarHBondContact O-CB 3.17Å; N20-Q24 PolarHBondContact O-N 3.31Å |
| 21 | E | 94 | Very high | 92.5 | Very high | 126 Ų | 126 | 75.1 Ų | 75.1 | 59% | 0.589 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -64.3 | -41 | 175.1 | -175.2 | 179.4 | 176.1 | 0 | 0 | 111.2 | N18 Q24 W25 | N18-E21 HydrophobicContact CB-CB 4.19Å; N18-E21 PolarHBondContact OD1-N 3.48Å; E21-Q24 PolarHBondContact O-N 3.27Å; E21-W25 VanDerWaalsContact O-CB 3.32Å; E21-W25 WeakPolarHBondContact O-CB 3.2Å; E21-W25 PolarHBondContact O-N 3.47Å |
| 22 | A | 93.7 | Very high | 92.8 | Very high | 6 Ų | 6 | 74.4 Ų | 74.4 | 5% | 0.05 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63 | -44.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | F17 N18 E19 N20 W25 M26 Y114 | F17-A22 HydrophobicContact CE1-CB 3.99Å; F17-A22 HydrophobicContact CE2-CB 4.38Å; F17-A22 HydrophobicContact CZ-CB 3.48Å; F17-A22 VanDerWaalsContact CZ-CB 3.48Å; N18-A22 PolarHBondContact O-N 3.35Å; E19-A22 PolarHBondContact O-N 3.41Å; N20-A22 VanDerWaalsContact C-N 3.34Å; A22-W25 PolarHBondContact O-N 2.94Å; A22-M26 VanDerWaalsContact O-CG 3.31Å; A22-M26 WeakPolarHBondContact O-CG 3.15Å; A22-M26 PolarHBondContact O-N 3.35Å; A22-Y114 HydrophobicContact CB-CD1 4.26Å; A22-Y114 HydrophobicContact CB-CD2 3.72Å; A22-Y114 HydrophobicContact CB-CE1 4.4Å; A22-Y114 HydrophobicContact CB-CE2 3.89Å; A22-Y114 HydrophobicContact CB-CG 3.91Å |
| 23 | I | 93.6 | Very high | 93.2 | Very high | 14 Ų | 14 | 69 Ų | 69 | 7% | 0.072 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.9 | -48.1 | 176 | -70.2 | 162 | 0 | 0 | 0 | 110.4 | E19 N20 W25 M26 Q27 N105 Y156 M159 | E19-I23 WeakPolarHBondContact O-CB 3.31Å; E19-I23 WeakPolarHBondContact O-CD1 3.47Å; E19-I23 VanDerWaalsContact O-CG1 3.25Å; E19-I23 WeakPolarHBondContact O-CG1 3.17Å; E19-I23 PolarHBondContact O-N 3.48Å; N20-I23 PolarHBondContact O-N 2.97Å; I23-W25 VanDerWaalsContact C-N 3.35Å; I23-W25 PolarHBondContact O-N 3.05Å; I23-M26 PolarHBondContact O-N 2.89Å; I23-Q27 HydrophobicContact CG2-CG 4.41Å; I23-Q27 WeakPolarHBondContact O-CG 3.46Å; I23-Q27 PolarHBondContact O-N 2.66Å; I23-N105 VanDerWaalsContact CD1-OD1 3.3Å; I23-N105 WeakPolarHBondContact CD1-OD1 3.37Å; I23-Y156 HydrophobicContact CG1-CE1 4.14Å; I23-M159 HydrophobicContact CD1-SD 3.62Å; I23-M159 HydrophobicContact CG1-SD 4.27Å |
| 24 | Q | 95.5 | Very high | 93.6 | Very high | 109 Ų | 109 | 69.9 Ų | 69.9 | 51% | 0.509 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -59.6 | -46.5 | 178.2 | -176.6 | 178.6 | -7.7 | 0 | 0 | 111.2 | N20 E21 M26 Q27 E28 | N20-Q24 WeakPolarHBondContact O-CB 3.17Å; N20-Q24 PolarHBondContact O-N 3.31Å; E21-Q24 PolarHBondContact O-N 3.27Å; Q24-M26 VanDerWaalsContact C-N 3.29Å; Q24-M26 PolarHBondContact O-N 3.26Å; Q24-Q27 WeakPolarHBondContact O-CB 3.48Å; Q24-Q27 PolarHBondContact O-N 2.94Å; Q24-Q27 VanDerWaalsContact O-N 3.12Å; Q24-E28 WeakPolarHBondContact CG-OE1 3.46Å; Q24-E28 PolarHBondContact NE2-OE1 3.48Å; Q24-E28 WeakPolarHBondContact O-CG 3.35Å; Q24-E28 PolarHBondContact O-N 3.06Å |
| 25 | W | 96 | Very high | 93.8 | Very high | 87 Ų | 87 | 74.8 Ų | 74.8 | 33% | 0.33 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -57.9 | -44 | 176.8 | -173.2 | 93.5 | 0 | 0 | 0 | 111.2 | E21 A22 I23 E28 N29 Y114 L118 W153 | E21-W25 VanDerWaalsContact O-CB 3.32Å; E21-W25 WeakPolarHBondContact O-CB 3.2Å; E21-W25 PolarHBondContact O-N 3.47Å; A22-W25 PolarHBondContact O-N 2.94Å; I23-W25 VanDerWaalsContact C-N 3.35Å; I23-W25 PolarHBondContact O-N 3.05Å; W25-E28 PolarHBondContact O-N 3.34Å; W25-N29 HydrophobicContact CD2-CB 4.07Å; W25-N29 HydrophobicContact CE3-CB 4.13Å; W25-N29 HydrophobicContact CH2-CB 4.12Å; W25-N29 HydrophobicContact CZ2-CB 4.04Å; W25-N29 HydrophobicContact CZ3-CB 4.15Å; W25-N29 WeakPolarHBondContact O-CB 3.35Å; W25-N29 PolarHBondContact O-N 2.9Å; W25-N29 PolarHBondContact O-ND2 3.41Å; W25-Y114 HydrophobicContact CE3-CE2 4.33Å; W25-L118 HydrophobicContact CH2-CD2 4.27Å; W25-L118 HydrophobicContact CZ3-CD2 3.93Å; W25-W153 AromaticContact CH2-CH2 3.76Å; W25-W153 HydrophobicContact CH2-CH2 3.76Å; W25-W153 HydrophobicContact CH2-CZ3 4.02Å; W25-W153 HydrophobicContact CZ3-CH2 4.03Å; W25-W153 HydrophobicContact CZ3-CZ3 4.1Å |
| 26 | M | 94.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 74.2 Ų | 74.2 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -64.6 | -40.2 | 177 | -72.8 | -62 | -51.1 | 0 | 0 | 112.2 | A22 I23 Q24 E28 N29 W30 Y114 V117 W153 Y156 | A22-M26 VanDerWaalsContact O-CG 3.31Å; A22-M26 WeakPolarHBondContact O-CG 3.15Å; A22-M26 PolarHBondContact O-N 3.35Å; I23-M26 PolarHBondContact O-N 2.89Å; Q24-M26 VanDerWaalsContact C-N 3.29Å; Q24-M26 PolarHBondContact O-N 3.26Å; M26-E28 VanDerWaalsContact C-N 3.3Å; M26-E28 PolarHBondContact O-N 3.21Å; M26-N29 PolarHBondContact O-N 3.07Å; M26-W30 WeakPolarHBondContact O-CA 3.42Å; M26-W30 VanDerWaalsContact O-CB 3.24Å; M26-W30 WeakPolarHBondContact O-CB 3.35Å; M26-W30 PolarHBondContact O-N 3.13Å; M26-Y114 HydrophobicContact CG-CD2 4.14Å; M26-Y114 HydrophobicContact CG-CE2 3.79Å; M26-Y114 HydrophobicContact SD-CE2 4.05Å; M26-V117 HydrophobicContact CE-CG1 3.54Å; M26-V117 HydrophobicContact SD-CG1 4.24Å; M26-W153 HydrophobicContact CE-CB 3.89Å; M26-W153 HydrophobicContact CE-CD2 3.98Å; M26-W153 HydrophobicContact CE-CE3 4.23Å; M26-W153 HydrophobicContact CE-CG 3.87Å; M26-Y156 HydrophobicContact CB-CD1 3.68Å; M26-Y156 HydrophobicContact CB-CE1 4.05Å; M26-Y156 HydrophobicContact CE-CD1 4.47Å; M26-Y156 HydrophobicContact CG-CD1 3.46Å; M26-Y156 VanDerWaalsContact CG-CD1 3.46Å; M26-Y156 HydrophobicContact CG-CE1 3.62Å; M26-Y156 HydrophobicContact CG-CG 4.44Å |
| 27 | Q | 93.6 | Very high | 94.5 | Very high | 93 Ų | 93 | 67.3 Ų | 67.3 | 44% | 0.435 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62 | -37.1 | 176.5 | -72.5 | 175.5 | -9.2 | 0 | 0 | 112.7 | I23 Q24 W30 K157 | I23-Q27 HydrophobicContact CG2-CG 4.41Å; I23-Q27 WeakPolarHBondContact O-CG 3.46Å; I23-Q27 PolarHBondContact O-N 2.66Å; Q24-Q27 WeakPolarHBondContact O-CB 3.48Å; Q24-Q27 PolarHBondContact O-N 2.94Å; Q24-Q27 VanDerWaalsContact O-N 3.12Å; Q27-W30 VanDerWaalsContact O-CD1 3.26Å; Q27-K157 HydrophobicContact CG-CB 4.27Å; Q27-K157 HydrophobicContact CG-CG 4.2Å |
| 28 | E | 95.5 | Very high | 94.7 | Very high | 123 Ų | 123 | 68.4 Ų | 68.4 | 58% | 0.575 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -78.6 | -34 | 177.8 | -68.9 | 173.5 | -170.8 | 0 | 0 | 112.5 | Q24 W25 M26 | Q24-E28 WeakPolarHBondContact CG-OE1 3.46Å; Q24-E28 PolarHBondContact NE2-OE1 3.48Å; Q24-E28 WeakPolarHBondContact O-CG 3.35Å; Q24-E28 PolarHBondContact O-N 3.06Å; W25-E28 PolarHBondContact O-N 3.34Å; M26-E28 VanDerWaalsContact C-N 3.3Å; M26-E28 PolarHBondContact O-N 3.21Å |
| 29 | N | 95.8 | Very high | 94.9 | Very high | 22 Ų | 22 | 69.8 Ų | 69.8 | 12% | 0.118 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -113.4 | -3.3 | -164.8 | -64.6 | -82.1 | 0 | 0 | 0 | 115.2 | W25 M26 K31 K32 | W25-N29 HydrophobicContact CD2-CB 4.07Å; W25-N29 HydrophobicContact CE3-CB 4.13Å; W25-N29 HydrophobicContact CH2-CB 4.12Å; W25-N29 HydrophobicContact CZ2-CB 4.04Å; W25-N29 HydrophobicContact CZ3-CB 4.15Å; W25-N29 WeakPolarHBondContact O-CB 3.35Å; W25-N29 PolarHBondContact O-N 2.9Å; W25-N29 PolarHBondContact O-ND2 3.41Å; M26-N29 PolarHBondContact O-N 3.07Å; N29-K31 PolarHBondContact O-N 3.24Å; N29-K32 HydrophobicContact CB-CD 4.06Å; N29-K32 HydrophobicContact CB-CG 4.5Å; N29-K32 VanDerWaalsContact O-CB 3.27Å; N29-K32 WeakPolarHBondContact O-CB 3.44Å; N29-K32 WeakPolarHBondContact O-CG 3.34Å; N29-K32 PolarHBondContact O-N 2.89Å; N29-K32 WeakPolarHBondContact OD1-CE 3.2Å; N29-K32 PolarHBondContact OD1-NZ 3.48Å |
| 30 | W | 94.1 | Very high | 95.1 | Very high | 44 Ų | 44 | 68.4 Ų | 68.4 | 17% | 0.167 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -32.5 | -176.4 | 71 | -84.1 | 0 | 0 | 0 | 113.1 | M26 Q27 K32 S33 F34 W153 Y154 K157 | M26-W30 WeakPolarHBondContact O-CA 3.42Å; M26-W30 VanDerWaalsContact O-CB 3.24Å; M26-W30 WeakPolarHBondContact O-CB 3.35Å; M26-W30 PolarHBondContact O-N 3.13Å; Q27-W30 VanDerWaalsContact O-CD1 3.26Å; W30-K32 PolarHBondContact O-N 3.39Å; W30-S33 VanDerWaalsContact O-CB 3.29Å; W30-S33 WeakPolarHBondContact O-CB 3.4Å; W30-S33 PolarHBondContact O-N 3.41Å; W30-S33 VanDerWaalsContact O-N 3.15Å; W30-S33 PolarHBondContact O-OG 3.21Å; W30-F34 HydrophobicContact CE3-CE2 4.35Å; W30-F34 HydrophobicContact CH2-CE2 4.19Å; W30-F34 AromaticContact CZ3-CE2 3.61Å; W30-F34 HydrophobicContact CZ3-CE2 3.61Å; W30-F34 HydrophobicContact CZ3-CZ 4.28Å; W30-W153 HydrophobicContact CB-CB 4.34Å; W30-Y154 HydrophobicContact CE3-CD2 4.13Å; W30-Y154 HydrophobicContact CH2-CD2 4.18Å; W30-Y154 AromaticContact CZ3-CD2 3.88Å; W30-Y154 HydrophobicContact CZ3-CD2 3.88Å; W30-K157 HydrophobicContact CB-CB 4.48Å; W30-K157 HydrophobicContact CD2-CD 4.26Å; W30-K157 HydrophobicContact CG-CD 3.86Å |
| 31 | K | 95.1 | Very high | 95.3 | Very high | 138 Ų | 138 | 64.6 Ų | 64.6 | 60% | 0.6 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -20 | 178.4 | -63.7 | -178.4 | -177.3 | 173.7 | 0 | 113.5 | N29 S33 F34 | N29-K31 PolarHBondContact O-N 3.24Å; K31-S33 PolarHBondContact O-N 2.94Å; K31-F34 WeakPolarHBondContact O-CB 3.08Å; K31-F34 WeakPolarHBondContact O-CD2 3.37Å; K31-F34 PolarHBondContact O-N 3.45Å; K31-F34 VanDerWaalsContact O-N 3.08Å |
| 32 | K | 94.7 | Very high | 95.3 | Very high | 95 Ų | 95 | 61.7 Ų | 61.7 | 41% | 0.413 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -61.1 | -22.9 | 174.3 | -66.8 | -178.6 | 175.8 | 166.5 | 0 | 112.2 | N29 W30 F34 L35 F36 W153 | N29-K32 HydrophobicContact CB-CD 4.06Å; N29-K32 HydrophobicContact CB-CG 4.5Å; N29-K32 VanDerWaalsContact O-CB 3.27Å; N29-K32 WeakPolarHBondContact O-CB 3.44Å; N29-K32 WeakPolarHBondContact O-CG 3.34Å; N29-K32 PolarHBondContact O-N 2.89Å; N29-K32 WeakPolarHBondContact OD1-CE 3.2Å; N29-K32 PolarHBondContact OD1-NZ 3.48Å; W30-K32 PolarHBondContact O-N 3.39Å; K32-F34 PolarHBondContact O-N 3.44Å; K32-L35 WeakPolarHBondContact O-CB 3.38Å; K32-L35 PolarHBondContact O-N 2.88Å; K32-L35 VanDerWaalsContact O-N 3.08Å; K32-F36 PolarHBondContact O-N 3.05Å; K32-W153 HydrophobicContact CB-CZ3 4.02Å |
| 33 | S | 95.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -57.1 | -32.2 | 172.5 | 62.9 | 0 | 0 | 0 | 0 | 113.2 | W30 K31 S37 | W30-S33 VanDerWaalsContact O-CB 3.29Å; W30-S33 WeakPolarHBondContact O-CB 3.4Å; W30-S33 PolarHBondContact O-N 3.41Å; W30-S33 VanDerWaalsContact O-N 3.15Å; W30-S33 PolarHBondContact O-OG 3.21Å; K31-S33 PolarHBondContact O-N 2.94Å; S33-S37 VanDerWaalsContact O-CB 3.32Å; S33-S37 WeakPolarHBondContact O-CB 3.05Å; S33-S37 PolarHBondContact O-N 3.31Å; S33-S37 PolarHBondContact O-OG 2.84Å |
| 34 | F | 96.6 | Very high | 95.4 | Very high | 111 Ų | 111 | 64.1 Ų | 64.1 | 49% | 0.487 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -67 | -42.8 | 174.2 | -70.4 | -76.2 | 0 | 0 | 0 | 111.8 | W30 K31 K32 S37 A38 L150 | W30-F34 HydrophobicContact CE3-CE2 4.35Å; W30-F34 HydrophobicContact CH2-CE2 4.19Å; W30-F34 AromaticContact CZ3-CE2 3.61Å; W30-F34 HydrophobicContact CZ3-CE2 3.61Å; W30-F34 HydrophobicContact CZ3-CZ 4.28Å; K31-F34 WeakPolarHBondContact O-CB 3.08Å; K31-F34 WeakPolarHBondContact O-CD2 3.37Å; K31-F34 PolarHBondContact O-N 3.45Å; K31-F34 VanDerWaalsContact O-N 3.08Å; K32-F34 PolarHBondContact O-N 3.44Å; F34-S37 PolarHBondContact O-N 3.14Å; F34-A38 WeakPolarHBondContact O-CB 3.42Å; F34-A38 PolarHBondContact O-N 2.88Å; F34-L150 HydrophobicContact CB-CD2 4.44Å; F34-L150 HydrophobicContact CD1-CD1 4.45Å; F34-L150 HydrophobicContact CD1-CD2 3.59Å; F34-L150 HydrophobicContact CD2-CD2 4.41Å; F34-L150 HydrophobicContact CE1-CD1 4.3Å; F34-L150 HydrophobicContact CE1-CD2 3.84Å; F34-L150 HydrophobicContact CG-CD2 3.89Å; F34-L150 HydrophobicContact CZ-CD2 4.35Å |
| 35 | L | 96.1 | Very high | 95.3 | Very high | 104 Ų | 104 | 64.5 Ų | 64.5 | 55% | 0.545 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.2 | -47.5 | 176.5 | 177.5 | 61.5 | 0 | 0 | 0 | 110.7 | K32 S37 A38 L39 | K32-L35 WeakPolarHBondContact O-CB 3.38Å; K32-L35 PolarHBondContact O-N 2.88Å; K32-L35 VanDerWaalsContact O-N 3.08Å; L35-S37 VanDerWaalsContact C-N 3.32Å; L35-S37 PolarHBondContact O-N 3.31Å; L35-A38 PolarHBondContact O-N 2.83Å; L35-L39 HydrophobicContact CD1-CD1 4.24Å; L35-L39 HydrophobicContact CD1-CG 4.23Å; L35-L39 HydrophobicContact CG-CD1 4.14Å; L35-L39 WeakPolarHBondContact O-CG 3.21Å; L35-L39 PolarHBondContact O-N 3.18Å |
| 36 | F | 96.1 | Very high | 95.2 | Very high | 79 Ų | 79 | 62 Ų | 62 | 35% | 0.346 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -59.9 | -41.5 | 175.7 | -66.9 | -33.8 | 0 | 0 | 0 | 112.4 | K32 L39 Y40 A121 L149 W153 | K32-F36 PolarHBondContact O-N 3.05Å; F36-L39 PolarHBondContact O-N 3.29Å; F36-Y40 WeakPolarHBondContact O-CB 3.22Å; F36-Y40 PolarHBondContact O-N 3.36Å; F36-A121 HydrophobicContact CD2-CB 4.43Å; F36-L149 HydrophobicContact CB-CD2 3.88Å; F36-W153 HydrophobicContact CD2-CH2 4.27Å; F36-W153 AromaticContact CE2-CH2 3.75Å; F36-W153 HydrophobicContact CE2-CH2 3.75Å; F36-W153 HydrophobicContact CE2-CZ2 4.27Å; F36-W153 HydrophobicContact CE2-CZ3 4.37Å |
| 37 | S | 96.3 | Very high | 95.1 | Very high | 9 Ų | 9 | 62.4 Ų | 62.4 | 6% | 0.063 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63.7 | -41 | 175.9 | -63.2 | 0 | 0 | 0 | 0 | 112.8 | S33 F34 L35 Y40 A41 | S33-S37 VanDerWaalsContact O-CB 3.32Å; S33-S37 WeakPolarHBondContact O-CB 3.05Å; S33-S37 PolarHBondContact O-N 3.31Å; S33-S37 PolarHBondContact O-OG 2.84Å; F34-S37 PolarHBondContact O-N 3.14Å; L35-S37 VanDerWaalsContact C-N 3.32Å; L35-S37 PolarHBondContact O-N 3.31Å; S37-Y40 PolarHBondContact O-N 2.93Å; S37-A41 WeakPolarHBondContact O-CB 3.27Å; S37-A41 PolarHBondContact O-N 3.19Å |
| 38 | A | 96.3 | Very high | 94.9 | Very high | 58 Ų | 58 | 62.1 Ų | 62.1 | 48% | 0.479 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -66.1 | -46.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | F34 L35 Y40 A41 A42 | F34-A38 WeakPolarHBondContact O-CB 3.42Å; F34-A38 PolarHBondContact O-N 2.88Å; L35-A38 PolarHBondContact O-N 2.83Å; A38-Y40 VanDerWaalsContact C-N 3.31Å; A38-Y40 PolarHBondContact O-N 2.75Å; A38-A41 PolarHBondContact O-N 3.28Å; A38-A42 WeakPolarHBondContact O-CB 3.46Å; A38-A42 PolarHBondContact O-N 3.35Å |
| 39 | L | 96.1 | Very high | 94.8 | Very high | 105 Ų | 105 | 62 Ų | 62 | 55% | 0.55 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60.7 | -42.3 | 175.1 | -70.7 | 174.6 | 0 | 0 | 0 | 111.5 | L35 F36 A42 F43 | L35-L39 HydrophobicContact CD1-CD1 4.24Å; L35-L39 HydrophobicContact CD1-CG 4.23Å; L35-L39 HydrophobicContact CG-CD1 4.14Å; L35-L39 WeakPolarHBondContact O-CG 3.21Å; L35-L39 PolarHBondContact O-N 3.18Å; F36-L39 PolarHBondContact O-N 3.29Å; L39-A42 PolarHBondContact O-N 2.92Å; L39-F43 WeakPolarHBondContact O-CB 3.36Å; L39-F43 PolarHBondContact O-N 3.45Å |
| 40 | Y | 96.3 | Very high | 94.7 | Very high | 11 Ų | 11 | 66.2 Ų | 66.2 | 4% | 0.043 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -62.7 | -46 | 175.8 | 171.1 | -98.9 | 0 | 0 | 0 | 112.4 | F36 S37 A38 A42 F43 V44 L124 T127 W142 H145 I146 | F36-Y40 WeakPolarHBondContact O-CB 3.22Å; F36-Y40 PolarHBondContact O-N 3.36Å; S37-Y40 PolarHBondContact O-N 2.93Å; A38-Y40 VanDerWaalsContact C-N 3.31Å; A38-Y40 PolarHBondContact O-N 2.75Å; Y40-A42 PolarHBondContact O-N 3.45Å; Y40-F43 WeakPolarHBondContact O-CB 3.38Å; Y40-F43 PolarHBondContact O-N 2.9Å; Y40-V44 HydrophobicContact CD1-CG2 4.35Å; Y40-V44 HydrophobicContact CD2-CG2 4.4Å; Y40-V44 HydrophobicContact CE1-CG2 3.94Å; Y40-V44 HydrophobicContact CE2-CG2 4.01Å; Y40-V44 WeakPolarHBondContact O-CG2 3.27Å; Y40-V44 PolarHBondContact O-N 3.06Å; Y40-L124 HydrophobicContact CD1-CD2 4.4Å; Y40-L124 HydrophobicContact CD2-CB 3.79Å; Y40-L124 HydrophobicContact CD2-CD1 4.14Å; Y40-L124 HydrophobicContact CD2-CD2 3.82Å; Y40-L124 HydrophobicContact CD2-CG 4.13Å; Y40-L124 HydrophobicContact CE2-CB 4.04Å; Y40-L124 HydrophobicContact CE2-CD2 3.92Å; Y40-L124 HydrophobicContact CG-CD1 4.23Å; Y40-L124 HydrophobicContact CG-CD2 4.04Å; Y40-T127 HydrophobicContact CE2-CG2 3.9Å; Y40-T127 WeakPolarHBondContact CE2-OG1 2.95Å; Y40-T127 WeakPolarHBondContact OH-CG2 3.25Å; Y40-T127 PolarHBondContact OH-OG1 2.88Å; Y40-W142 HydrophobicContact CE1-CB 4.12Å; Y40-W142 WeakPolarHBondContact OH-CA 3.24Å; Y40-W142 WeakPolarHBondContact OH-CB 3.24Å; Y40-H145 HydrophobicContact CE1-CB 4.4Å; Y40-I146 HydrophobicContact CD1-CD1 3.86Å; Y40-I146 HydrophobicContact CD1-CG1 3.48Å; Y40-I146 VanDerWaalsContact CD1-CG1 3.48Å; Y40-I146 HydrophobicContact CE1-CD1 4.02Å; Y40-I146 HydrophobicContact CE1-CG1 3.64Å |
| 41 | A | 95.3 | Very high | 94.6 | Very high | 23 Ų | 23 | 64.7 Ų | 64.7 | 19% | 0.19 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -60.6 | -45.9 | 176 | 0 | 0 | 0 | 0 | 0 | 111.2 | S37 A38 F43 V44 F45 I146 | S37-A41 WeakPolarHBondContact O-CB 3.27Å; S37-A41 PolarHBondContact O-N 3.19Å; A38-A41 PolarHBondContact O-N 3.28Å; A41-F43 VanDerWaalsContact C-N 3.31Å; A41-F43 PolarHBondContact O-N 3.44Å; A41-V44 PolarHBondContact O-N 3.49Å; A41-V44 VanDerWaalsContact O-N 3.14Å; A41-F45 HydrophobicContact CB-CE2 4.47Å; A41-F45 WeakPolarHBondContact O-CD2 3.48Å; A41-F45 PolarHBondContact O-N 3.15Å; A41-I146 HydrophobicContact CB-CD1 4.29Å |
| 42 | A | 95.7 | Very high | 94.3 | Very high | 64 Ų | 64 | 63.6 Ų | 63.6 | 53% | 0.529 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -57.9 | -43.2 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | A38 L39 Y40 G46 | A38-A42 WeakPolarHBondContact O-CB 3.46Å; A38-A42 PolarHBondContact O-N 3.35Å; L39-A42 PolarHBondContact O-N 2.92Å; Y40-A42 PolarHBondContact O-N 3.45Å; A42-G46 WeakPolarHBondContact O-CA 3.35Å; A42-G46 PolarHBondContact O-N 2.77Å |
| 43 | F | 95.1 | Very high | 94.1 | Very high | 72 Ų | 72 | 67.8 Ų | 67.8 | 32% | 0.316 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63.4 | -41.5 | 174.5 | 174.3 | -92 | 0 | 0 | 0 | 112.5 | L39 Y40 A41 G47 I128 V131 | L39-F43 WeakPolarHBondContact O-CB 3.36Å; L39-F43 PolarHBondContact O-N 3.45Å; Y40-F43 WeakPolarHBondContact O-CB 3.38Å; Y40-F43 PolarHBondContact O-N 2.9Å; A41-F43 VanDerWaalsContact C-N 3.31Å; A41-F43 PolarHBondContact O-N 3.44Å; F43-G47 WeakPolarHBondContact O-CA 3.5Å; F43-G47 PolarHBondContact O-N 3.38Å; F43-I128 HydrophobicContact CD1-CG1 4.34Å; F43-I128 HydrophobicContact CE1-CB 4.14Å; F43-I128 HydrophobicContact CE1-CG1 3.68Å; F43-I128 HydrophobicContact CE1-CG2 4.49Å; F43-I128 HydrophobicContact CZ-CB 4.06Å; F43-I128 HydrophobicContact CZ-CG1 3.83Å; F43-I128 HydrophobicContact CZ-CG2 3.91Å; F43-V131 HydrophobicContact CE1-CB 4.29Å; F43-V131 HydrophobicContact CE1-CG2 4.29Å; F43-V131 HydrophobicContact CZ-CB 4.48Å; F43-V131 HydrophobicContact CZ-CG1 4.47Å |
| 44 | V | 93.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 75.3 Ų | 75.3 | 0% | 0 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -61.6 | -49.2 | 179.2 | 165.1 | 0 | 0 | 0 | 0 | 111.3 | Y40 A41 R48 T127 L137 | Y40-V44 HydrophobicContact CD1-CG2 4.35Å; Y40-V44 HydrophobicContact CD2-CG2 4.4Å; Y40-V44 HydrophobicContact CE1-CG2 3.94Å; Y40-V44 HydrophobicContact CE2-CG2 4.01Å; Y40-V44 WeakPolarHBondContact O-CG2 3.27Å; Y40-V44 PolarHBondContact O-N 3.06Å; A41-V44 PolarHBondContact O-N 3.49Å; A41-V44 VanDerWaalsContact O-N 3.14Å; V44-R48 WeakPolarHBondContact O-CB 3.02Å; V44-R48 WeakPolarHBondContact O-CG 3.15Å; V44-R48 PolarHBondContact O-N 2.86Å; V44-T127 HydrophobicContact CG2-CG2 3.67Å; V44-L137 HydrophobicContact CB-CD2 4.49Å; V44-L137 HydrophobicContact CG1-CD2 3.63Å; V44-L137 HydrophobicContact CG2-CD2 4.18Å |
| 45 | F | 93 | Very high | 93.6 | Very high | 117 Ų | 117 | 73.9 Ų | 73.9 | 51% | 0.513 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -76.6 | -46.4 | -177.8 | -64.5 | -68.1 | 0 | 0 | 0 | 111.9 | A41 H49 W142 | A41-F45 HydrophobicContact CB-CE2 4.47Å; A41-F45 WeakPolarHBondContact O-CD2 3.48Å; A41-F45 PolarHBondContact O-N 3.15Å; F45-H49 PolarHBondContact O-N 3.13Å; F45-W142 HydrophobicContact CZ-CZ2 4.48Å |
| 46 | G | 93.4 | Very high | 93.5 | Very high | 33 Ų | 33 | 74.9 Ų | 74.9 | 34% | 0.34 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -67.2 | -45.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | A42 R48 H49 L50 | A42-G46 WeakPolarHBondContact O-CA 3.35Å; A42-G46 PolarHBondContact O-N 2.77Å; G46-R48 PolarHBondContact O-N 2.79Å; G46-H49 PolarHBondContact O-N 2.8Å; G46-H49 VanDerWaalsContact O-N 3.15Å; G46-L50 WeakPolarHBondContact O-CG 3.35Å; G46-L50 PolarHBondContact O-N 3.26Å |
| 47 | G | 91.8 | Very high | 93.2 | Very high | 9 Ų | 9 | 75.5 Ų | 75.5 | 9% | 0.093 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -61.7 | -40.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | F43 M51 | F43-G47 WeakPolarHBondContact O-CA 3.5Å; F43-G47 PolarHBondContact O-N 3.38Å; G47-M51 VanDerWaalsContact O-CB 3.25Å; G47-M51 WeakPolarHBondContact O-CB 3.29Å; G47-M51 VanDerWaalsContact O-CG 3.23Å; G47-M51 WeakPolarHBondContact O-CG 3.43Å; G47-M51 PolarHBondContact O-N 3.16Å |
| 48 | R | 91.3 | Very high | 93 | Very high | 87 Ų | 87 | 81.3 Ų | 81.3 | 33% | 0.328 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -60.9 | -47.6 | 171.4 | -79.6 | 178.7 | -176 | -167.6 | 11.8 | 111.8 | V44 G46 L50 M51 N52 V131 L137 | V44-R48 WeakPolarHBondContact O-CB 3.02Å; V44-R48 WeakPolarHBondContact O-CG 3.15Å; V44-R48 PolarHBondContact O-N 2.86Å; G46-R48 PolarHBondContact O-N 2.79Å; R48-L50 VanDerWaalsContact C-N 3.35Å; R48-L50 PolarHBondContact O-N 3Å; R48-M51 PolarHBondContact O-N 3.2Å; R48-N52 PolarHBondContact O-N 2.93Å; R48-N52 PolarHBondContact O-OD1 3.22Å; R48-V131 HydrophobicContact CG-CG2 4.4Å; R48-L137 PolarHBondContact NH2-O 3.29Å |
| 49 | H | 92.3 | Very high | 92.8 | Very high | 120 Ų | 120 | 80.3 Ų | 80.3 | 56% | 0.556 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -61 | -44 | -179.6 | -174.4 | 84.1 | 0 | 0 | 0 | 111.9 | F45 G46 N52 | F45-H49 PolarHBondContact O-N 3.13Å; G46-H49 PolarHBondContact O-N 2.8Å; G46-H49 VanDerWaalsContact O-N 3.15Å; H49-N52 WeakPolarHBondContact O-CB 3.46Å; H49-N52 PolarHBondContact O-N 3.16Å |
| 50 | L | 93.2 | Very high | 92.5 | Very high | 112 Ų | 112 | 81.2 Ų | 81.2 | 59% | 0.586 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -66 | -43.9 | 177.3 | -69.8 | 173.5 | 0 | 0 | 0 | 112.3 | G46 R48 N52 K53 | G46-L50 WeakPolarHBondContact O-CG 3.35Å; G46-L50 PolarHBondContact O-N 3.26Å; R48-L50 VanDerWaalsContact C-N 3.35Å; R48-L50 PolarHBondContact O-N 3Å; L50-N52 PolarHBondContact O-N 3.07Å; L50-K53 PolarHBondContact O-N 3.24Å |
| 51 | M | 92.9 | Very high | 92.4 | Very high | 12 Ų | 12 | 89.5 Ų | 89.5 | 6% | 0.059 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -66.7 | -24.8 | -179.9 | -75.7 | -60.2 | -59.9 | 0 | 0 | 112.5 | G47 R48 K53 R54 A55 F57 V131 L132 K134 | G47-M51 VanDerWaalsContact O-CB 3.25Å; G47-M51 WeakPolarHBondContact O-CB 3.29Å; G47-M51 VanDerWaalsContact O-CG 3.23Å; G47-M51 WeakPolarHBondContact O-CG 3.43Å; G47-M51 PolarHBondContact O-N 3.16Å; R48-M51 PolarHBondContact O-N 3.2Å; M51-K53 PolarHBondContact O-N 2.82Å; M51-K53 VanDerWaalsContact O-N 3.13Å; M51-R54 PolarHBondContact O-N 2.77Å; M51-R54 VanDerWaalsContact O-O 3.12Å; M51-R54 HydrophobicContact SD-CB 4.33Å; M51-A55 WeakPolarHBondContact CE-O 3.27Å; M51-F57 HydrophobicContact CE-CD2 3.77Å; M51-F57 HydrophobicContact CE-CE2 3.9Å; M51-F57 HydrophobicContact SD-CD2 4.13Å; M51-F57 HydrophobicContact SD-CE2 3.75Å; M51-V131 HydrophobicContact CG-CG1 4.07Å; M51-L132 WeakPolarHBondContact CE-O 3.29Å; M51-L132 HydrophobicContact CG-CD2 4.46Å; M51-L132 HydrophobicContact SD-CD2 3.98Å; M51-K134 HydrophobicContact CE-CG 4.07Å; M51-K134 WeakPolarHBondContact O-CE 3.2Å; M51-K134 PolarHBondContact O-NZ 2.94Å |
| 52 | N | 88.5 | Confident | 92.4 | Very high | 115 Ų | 115 | 91.4 Ų | 91.4 | 62% | 0.615 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -52.9 | -38.7 | 176.6 | -72.6 | -18.2 | 0 | 0 | 0 | 112.3 | R48 H49 L50 K134 | R48-N52 PolarHBondContact O-N 2.93Å; R48-N52 PolarHBondContact O-OD1 3.22Å; H49-N52 WeakPolarHBondContact O-CB 3.46Å; H49-N52 PolarHBondContact O-N 3.16Å; L50-N52 PolarHBondContact O-N 3.07Å; N52-K134 PolarHBondContact O-NZ 2.6Å |
| 53 | K | 91.3 | Very high | 92.4 | Very high | 183 Ų | 183 | 89.4 Ų | 89.4 | 80% | 0.796 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -5.4 | -179.9 | -59.7 | -177.3 | -178.4 | -179.8 | 0 | 114.6 | L50 M51 | L50-K53 PolarHBondContact O-N 3.24Å; M51-K53 PolarHBondContact O-N 2.82Å; M51-K53 VanDerWaalsContact O-N 3.13Å |
| 54 | R | 90.5 | Very high | 92.4 | Very high | 157 Ų | 157 | 87.7 Ų | 87.7 | 59% | 0.592 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -113.4 | 158.8 | -174.6 | -64.3 | -172.7 | 178.6 | -157.3 | -0.5 | 112.6 | M51 K134 | M51-R54 PolarHBondContact O-N 2.77Å; M51-R54 VanDerWaalsContact O-O 3.12Å; M51-R54 HydrophobicContact SD-CB 4.33Å; R54-K134 WeakPolarHBondContact O-CE 3.34Å; R54-K134 PolarHBondContact O-NZ 3.24Å |
| 55 | A | 90.5 | Very high | 92.5 | Very high | 81 Ų | 81 | 93.1 Ų | 93.1 | 67% | 0.669 | 45% | 0.453 | S | S | * | . | P | Polyproline II helix | trans | -68.9 | 156.7 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | M51 | M51-A55 WeakPolarHBondContact CE-O 3.27Š|
| 56 | K | 92.8 | Very high | 92.8 | Very high | 126 Ų | 126 | 90.9 Ų | 90.9 | 55% | 0.548 | 44% | 0.441 | S | S | . | . | P | Polyproline II helix | trans | -66.2 | 145.1 | 173.5 | 64.6 | 177 | -176.5 | 165.3 | 0 | 110.1 | E58 K134 | K56-E58 VanDerWaalsContact CE-OE1 3.27Å; K56-E58 WeakPolarHBondContact CE-OE1 3.45Å; K56-E58 IonicContact NZ-OE1 3.82Å; K56-E58 PolarHBondContact NZ-OE1 3.01Å; K56-K134 HydrophobicContact CB-CB 4.37Å; K56-K134 HydrophobicContact CB-CD 4.3Å; K56-K134 HydrophobicContact CB-CG 4.26Å |
| 57 | F | 91.8 | Very high | 92.9 | Very high | 91 Ų | 91 | 89.4 Ų | 89.4 | 40% | 0.399 | 43% | 0.426 | S | S | . | . | P | Polyproline II helix | trans | -89.3 | 141.5 | 172.8 | -69.1 | -85.8 | 0 | 0 | 0 | 111.8 | M51 L59 L132 | M51-F57 HydrophobicContact CE-CD2 3.77Å; M51-F57 HydrophobicContact CE-CE2 3.9Å; M51-F57 HydrophobicContact SD-CD2 4.13Å; M51-F57 HydrophobicContact SD-CE2 3.75Å; F57-L59 HydrophobicContact CB-CD1 4.03Å; F57-L59 HydrophobicContact CB-CD2 4.33Å; F57-L59 HydrophobicContact CB-CG 3.78Å; F57-L59 PolarHBondContact O-N 2.88Å; F57-L132 HydrophobicContact CD2-CB 4.16Å; F57-L132 HydrophobicContact CD2-CD2 4.19Å; F57-L132 HydrophobicContact CE2-CD2 4.25Å; F57-L132 PolarHBondContact N-O 3.4Å |
| 58 | E | 91 | Very high | 93.2 | Very high | 131 Ų | 131 | 93.1 Ų | 93.1 | 61% | 0.612 | 44% | 0.443 | S | S | * | . | trans | -89 | 74.7 | 174.4 | -69.3 | -60.6 | 148.3 | 0 | 0 | 110.7 | K56 R60 | K56-E58 VanDerWaalsContact CE-OE1 3.27Å; K56-E58 WeakPolarHBondContact CE-OE1 3.45Å; K56-E58 IonicContact NZ-OE1 3.82Å; K56-E58 PolarHBondContact NZ-OE1 3.01Å; E58-R60 VanDerWaalsContact C-N 3.3Å; E58-R60 PolarHBondContact O-N 3.38Å | ||
| 59 | L | 91.8 | Very high | 93.5 | Very high | 38 Ų | 38 | 92.9 Ų | 92.9 | 20% | 0.199 | 45% | 0.452 | C | S | . | . | trans | -93.1 | 31.8 | -176.7 | -61 | 172.7 | 0 | 0 | 0 | 113.3 | F57 P62 L63 F129 L132 R133 | F57-L59 HydrophobicContact CB-CD1 4.03Å; F57-L59 HydrophobicContact CB-CD2 4.33Å; F57-L59 HydrophobicContact CB-CG 3.78Å; F57-L59 PolarHBondContact O-N 2.88Å; L59-P62 WeakPolarHBondContact O-CD 3.42Å; L59-L63 WeakPolarHBondContact O-CB 3.46Å; L59-L63 PolarHBondContact O-N 3.08Å; L59-F129 HydrophobicContact CB-CD1 4.05Å; L59-F129 HydrophobicContact CB-CE1 4.27Å; L59-F129 HydrophobicContact CD1-CD1 4.12Å; L59-F129 HydrophobicContact CD1-CE1 4.49Å; L59-L132 HydrophobicContact CD1-CB 3.64Å; L59-L132 HydrophobicContact CD1-CD1 3.68Å; L59-L132 HydrophobicContact CD1-CG 4.33Å; L59-R133 HydrophobicContact CB-CG 4.31Å | ||
| 60 | R | 90.9 | Very high | 93.7 | Very high | 124 Ų | 124 | 87.8 Ų | 87.8 | 47% | 0.468 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -65.4 | -48.6 | -172.3 | -171.4 | 172 | 172.8 | -175.2 | -11.5 | 112.8 | E58 L63 V64 A185 A186 | E58-R60 VanDerWaalsContact C-N 3.3Å; E58-R60 PolarHBondContact O-N 3.38Å; R60-L63 PolarHBondContact O-N 3.18Å; R60-V64 WeakPolarHBondContact O-CG2 3.29Å; R60-V64 PolarHBondContact O-N 2.88Å; R60-A185 WeakPolarHBondContact CG-O 3.32Å; R60-A185 PolarHBondContact NE-O 3.4Å; R60-A186 VanDerWaalsContact NH2-C 3.35Å; R60-A186 PolarHBondContact NH2-O 3.23Å |
| 61 | K | 93.4 | Very high | 94 | Very high | 184 Ų | 184 | 82.6 Ų | 82.6 | 80% | 0.8 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -63.7 | -48.2 | 179.5 | -60.6 | 179.3 | -179.5 | 179.9 | 0 | 112.2 | L63 V64 L65 | K61-L63 VanDerWaalsContact C-N 3.3Å; K61-L63 PolarHBondContact O-N 3.15Å; K61-V64 PolarHBondContact O-N 3.22Å; K61-L65 PolarHBondContact O-N 3.01Å; K61-L65 VanDerWaalsContact O-N 3.11Å |
| 62 | P | 95.6 | Very high | 94.2 | Very high | 63 Ų | 63 | 85.1 Ų | 85.1 | 41% | 0.409 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -58 | -40.6 | 173.6 | -26.7 | 36 | 0 | 0 | 0 | 113.1 | L59 V64 L65 W66 F129 | L59-P62 WeakPolarHBondContact O-CD 3.42Å; P62-V64 PolarHBondContact O-N 3.01Å; P62-L65 PolarHBondContact O-N 3.08Å; P62-W66 WeakPolarHBondContact O-CB 3.17Å; P62-W66 PolarHBondContact O-N 3.26Å; P62-F129 HydrophobicContact CB-CE1 3.97Å; P62-F129 HydrophobicContact CB-CZ 4.34Å |
| 63 | L | 94.6 | Very high | 94.7 | Very high | 22 Ų | 22 | 82 Ų | 82 | 12% | 0.115 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -63.7 | -39.8 | 177.6 | 179 | 62.9 | 0 | 0 | 0 | 112.4 | L59 R60 K61 W66 S67 F129 A185 | L59-L63 WeakPolarHBondContact O-CB 3.46Å; L59-L63 PolarHBondContact O-N 3.08Å; R60-L63 PolarHBondContact O-N 3.18Å; K61-L63 VanDerWaalsContact C-N 3.3Å; K61-L63 PolarHBondContact O-N 3.15Å; L63-W66 PolarHBondContact O-N 2.88Å; L63-S67 WeakPolarHBondContact O-CB 3.43Å; L63-S67 PolarHBondContact O-N 3.39Å; L63-S67 PolarHBondContact O-OG 2.89Å; L63-F129 HydrophobicContact CB-CD1 4.17Å; L63-F129 HydrophobicContact CB-CE1 4.36Å; L63-F129 HydrophobicContact CD1-CB 4.01Å; L63-F129 HydrophobicContact CD1-CD1 4.27Å; L63-F129 HydrophobicContact CD1-CD2 4Å; L63-F129 HydrophobicContact CD1-CG 3.83Å; L63-A185 HydrophobicContact CD2-CB 4.08Å; L63-A185 HydrophobicContact CG-CB 4Å |
| 64 | V | 96.1 | Very high | 95 | Very high | 36 Ų | 36 | 73.3 Ų | 73.3 | 22% | 0.218 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -60.4 | -51.4 | 174.9 | 172.7 | 0 | 0 | 0 | 0 | 110.5 | R60 K61 P62 W66 S67 L68 A185 A186 | R60-V64 WeakPolarHBondContact O-CG2 3.29Å; R60-V64 PolarHBondContact O-N 2.88Å; K61-V64 PolarHBondContact O-N 3.22Å; P62-V64 PolarHBondContact O-N 3.01Å; V64-W66 VanDerWaalsContact C-N 3.31Å; V64-W66 PolarHBondContact O-N 2.75Å; V64-S67 PolarHBondContact O-N 3.32Å; V64-L68 WeakPolarHBondContact O-CB 3.23Å; V64-L68 PolarHBondContact O-N 3.34Å; V64-A185 HydrophobicContact CB-CB 4.43Å; V64-A185 HydrophobicContact CG2-CB 3.48Å; V64-A185 VanDerWaalsContact CG2-CB 3.48Å; V64-A185 WeakPolarHBondContact CG2-O 3.36Å; V64-A186 HydrophobicContact CG1-CB 4.41Å; V64-A186 HydrophobicContact CG2-CB 4.19Å; V64-A186 VanDerWaalsContact CG2-N 3.32Å |
| 65 | L | 96.9 | Very high | 95.3 | Very high | 114 Ų | 114 | 69 Ų | 69 | 60% | 0.597 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -61.9 | -42.4 | -178.9 | -179.2 | 61.3 | 0 | 0 | 0 | 111.4 | K61 P62 L68 T69 | K61-L65 PolarHBondContact O-N 3.01Å; K61-L65 VanDerWaalsContact O-N 3.11Å; P62-L65 PolarHBondContact O-N 3.08Å; L65-L68 PolarHBondContact O-N 2.91Å; L65-T69 WeakPolarHBondContact O-CB 3.29Å; L65-T69 PolarHBondContact O-N 2.81Å; L65-T69 PolarHBondContact O-OG1 3.05Å |
| 66 | W | 97.4 | Very high | 95.6 | Very high | 70 Ų | 70 | 69.9 Ų | 69.9 | 27% | 0.265 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60.2 | -55.6 | 176.6 | 178.5 | -96.6 | 0 | 0 | 0 | 112.1 | P62 L63 V64 L68 T69 L70 P122 D126 F129 | P62-W66 WeakPolarHBondContact O-CB 3.17Å; P62-W66 PolarHBondContact O-N 3.26Å; L63-W66 PolarHBondContact O-N 2.88Å; V64-W66 VanDerWaalsContact C-N 3.31Å; V64-W66 PolarHBondContact O-N 2.75Å; W66-L68 VanDerWaalsContact C-N 3.29Å; W66-L68 PolarHBondContact O-N 2.9Å; W66-T69 PolarHBondContact O-N 3.41Å; W66-L70 HydrophobicContact CZ2-CD1 4.08Å; W66-L70 PolarHBondContact O-N 3.25Å; W66-P122 HydrophobicContact CH2-CB 4.14Å; W66-P122 VanDerWaalsContact CH2-O 3.27Å; W66-P122 WeakPolarHBondContact CH2-O 3.44Å; W66-P122 WeakPolarHBondContact CZ2-O 3.21Å; W66-D126 PolarHBondContact NE1-OD1 3.04Å; W66-F129 HydrophobicContact CB-CE2 3.87Å; W66-F129 HydrophobicContact CB-CZ 4.04Å; W66-F129 AromaticContact CD1-CE2 3.67Å; W66-F129 AromaticContact CD2-CE2 3.81Å; W66-F129 HydrophobicContact CD2-CE2 3.81Å; W66-F129 HydrophobicContact CE3-CE2 4.46Å; W66-F129 HydrophobicContact CG-CD2 4.32Å; W66-F129 AromaticContact CG-CE2 3.49Å; W66-F129 HydrophobicContact CG-CE2 3.49Å; W66-F129 VanDerWaalsContact CG-CE2 3.49Å; W66-F129 HydrophobicContact CG-CZ 4.13Å |
| 67 | S | 96.9 | Very high | 95.8 | Very high | 2 Ų | 2 | 63.9 Ų | 63.9 | 1% | 0.014 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.6 | -36 | 178.7 | -63.6 | 0 | 0 | 0 | 0 | 112.2 | L63 V64 A71 | L63-S67 WeakPolarHBondContact O-CB 3.43Å; L63-S67 PolarHBondContact O-N 3.39Å; L63-S67 PolarHBondContact O-OG 2.89Å; V64-S67 PolarHBondContact O-N 3.32Å; S67-A71 VanDerWaalsContact O-CB 3.29Å; S67-A71 WeakPolarHBondContact O-CB 3.31Å; S67-A71 PolarHBondContact O-N 3.39Å |
| 68 | L | 97.3 | Very high | 96 | Very high | 88 Ų | 88 | 60.2 Ų | 60.2 | 46% | 0.461 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -66.3 | -41.3 | 176.1 | -177.9 | 62.5 | 0 | 0 | 0 | 111.6 | V64 L65 W66 A71 V72 A182 | V64-L68 WeakPolarHBondContact O-CB 3.23Å; V64-L68 PolarHBondContact O-N 3.34Å; L65-L68 PolarHBondContact O-N 2.91Å; W66-L68 VanDerWaalsContact C-N 3.29Å; W66-L68 PolarHBondContact O-N 2.9Å; L68-A71 WeakPolarHBondContact O-CB 3.41Å; L68-A71 PolarHBondContact O-N 3.49Å; L68-V72 HydrophobicContact CD1-CG2 4.33Å; L68-V72 WeakPolarHBondContact O-CG2 3.38Å; L68-V72 PolarHBondContact O-N 2.94Å; L68-A182 HydrophobicContact CB-CB 4.27Å |
| 69 | T | 97.8 | Very high | 96.2 | Very high | 82 Ų | 82 | 59.2 Ų | 59.2 | 50% | 0.503 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -61.5 | -47.1 | 177.1 | -57.3 | 0 | 0 | 0 | 0 | 110.8 | L65 W66 A71 V72 F73 | L65-T69 WeakPolarHBondContact O-CB 3.29Å; L65-T69 PolarHBondContact O-N 2.81Å; L65-T69 PolarHBondContact O-OG1 3.05Å; W66-T69 PolarHBondContact O-N 3.41Å; T69-A71 VanDerWaalsContact C-N 3.32Å; T69-A71 PolarHBondContact O-N 3.49Å; T69-V72 PolarHBondContact O-N 3.44Å; T69-F73 VanDerWaalsContact O-CB 3.31Å; T69-F73 WeakPolarHBondContact O-CB 3.38Å; T69-F73 PolarHBondContact O-N 2.95Å |
| 70 | L | 97.6 | Very high | 96.3 | Very high | 13 Ų | 13 | 57.9 Ų | 57.9 | 7% | 0.068 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66 | -33.7 | 176.6 | -67.7 | 178.7 | 0 | 0 | 0 | 112.6 | W66 S74 E123 Y178 | W66-L70 HydrophobicContact CZ2-CD1 4.08Å; W66-L70 PolarHBondContact O-N 3.25Å; L70-S74 VanDerWaalsContact O-CB 3.23Å; L70-S74 WeakPolarHBondContact O-CB 3.24Å; L70-S74 PolarHBondContact O-N 3.07Å; L70-S74 PolarHBondContact O-OG 3.48Å; L70-E123 HydrophobicContact CD2-CG 4.48Å; L70-Y178 HydrophobicContact CB-CD1 3.85Å; L70-Y178 HydrophobicContact CB-CD2 3.75Å; L70-Y178 HydrophobicContact CB-CE1 4.09Å; L70-Y178 HydrophobicContact CB-CE2 3.96Å; L70-Y178 HydrophobicContact CB-CG 3.7Å; L70-Y178 HydrophobicContact CD1-CD1 4.03Å; L70-Y178 HydrophobicContact CD1-CE1 3.45Å; L70-Y178 VanDerWaalsContact CD1-CE1 3.45Å; L70-Y178 HydrophobicContact CD1-CE2 4.1Å; L70-Y178 HydrophobicContact CG-CE1 4.43Å |
| 71 | A | 97.9 | Very high | 96.5 | Very high | 2 Ų | 2 | 52 Ų | 52 | 2% | 0.017 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.9 | -52.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | S67 L68 T69 F73 S74 I75 | S67-A71 VanDerWaalsContact O-CB 3.29Å; S67-A71 WeakPolarHBondContact O-CB 3.31Å; S67-A71 PolarHBondContact O-N 3.39Å; L68-A71 WeakPolarHBondContact O-CB 3.41Å; L68-A71 PolarHBondContact O-N 3.49Å; T69-A71 VanDerWaalsContact C-N 3.32Å; T69-A71 PolarHBondContact O-N 3.49Å; A71-F73 PolarHBondContact O-N 3.41Å; A71-S74 PolarHBondContact O-N 2.82Å; A71-I75 WeakPolarHBondContact O-CB 3.3Å; A71-I75 WeakPolarHBondContact O-CD1 3.31Å; A71-I75 WeakPolarHBondContact O-CG1 3.32Å; A71-I75 PolarHBondContact O-N 3.17Å |
| 72 | V | 98.1 | Very high | 96.6 | Very high | 65 Ų | 65 | 44 Ų | 44 | 39% | 0.394 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -59.4 | -49.2 | 178.8 | 171.8 | 0 | 0 | 0 | 0 | 110.5 | L68 T69 S74 I75 F76 | L68-V72 HydrophobicContact CD1-CG2 4.33Å; L68-V72 WeakPolarHBondContact O-CG2 3.38Å; L68-V72 PolarHBondContact O-N 2.94Å; T69-V72 PolarHBondContact O-N 3.44Å; V72-S74 VanDerWaalsContact C-N 3.29Å; V72-S74 PolarHBondContact O-N 2.9Å; V72-I75 PolarHBondContact O-N 2.75Å; V72-F76 HydrophobicContact CG1-CD2 3.71Å; V72-F76 HydrophobicContact CG1-CE2 3.68Å; V72-F76 VanDerWaalsContact O-CD2 3.3Å; V72-F76 WeakPolarHBondContact O-CD2 3.21Å; V72-F76 PolarHBondContact O-N 2.92Å |
| 73 | F | 97.9 | Very high | 96.4 | Very high | 50 Ų | 50 | 41.8 Ų | 41.8 | 22% | 0.219 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -53.7 | -47.3 | 175.4 | 172.3 | -106.9 | 0 | 0 | 0 | 111.9 | T69 A71 G77 W112 A115 S119 Y171 | T69-F73 VanDerWaalsContact O-CB 3.31Å; T69-F73 WeakPolarHBondContact O-CB 3.38Å; T69-F73 PolarHBondContact O-N 2.95Å; A71-F73 PolarHBondContact O-N 3.41Å; F73-G77 PolarHBondContact O-N 3.5Å; F73-W112 HydrophobicContact CD2-CZ3 4.18Å; F73-W112 HydrophobicContact CE2-CE3 4.49Å; F73-W112 HydrophobicContact CE2-CZ3 4.12Å; F73-A115 HydrophobicContact CE2-CB 3.93Å; F73-A115 HydrophobicContact CZ-CB 4.02Å; F73-S119 VanDerWaalsContact CE1-CB 3.41Å; F73-Y171 HydrophobicContact CD1-CE1 4.12Å; F73-Y171 AromaticContact CE1-CE1 3.56Å; F73-Y171 HydrophobicContact CE1-CE1 3.56Å; F73-Y171 AromaticContact CZ-CE1 3.9Å; F73-Y171 HydrophobicContact CZ-CE1 3.9Å; F73-Y171 VanDerWaalsContact CZ-OH 3.26Å; F73-Y171 WeakPolarHBondContact CZ-OH 3.26Å |
| 74 | S | 97.9 | Very high | 96.4 | Very high | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.007 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -71.1 | -33.4 | -178.1 | -58.7 | 0 | 0 | 0 | 0 | 113.1 | L70 A71 V72 A78 | L70-S74 VanDerWaalsContact O-CB 3.23Å; L70-S74 WeakPolarHBondContact O-CB 3.24Å; L70-S74 PolarHBondContact O-N 3.07Å; L70-S74 PolarHBondContact O-OG 3.48Å; A71-S74 PolarHBondContact O-N 2.82Å; V72-S74 VanDerWaalsContact C-N 3.29Å; V72-S74 PolarHBondContact O-N 2.9Å; S74-A78 VanDerWaalsContact O-CB 3.22Å; S74-A78 WeakPolarHBondContact O-CB 3.3Å; S74-A78 PolarHBondContact O-N 2.79Å |
| 75 | I | 97.9 | Very high | 96.3 | Very high | 67 Ų | 67 | 40.4 Ų | 40.4 | 34% | 0.344 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -64.3 | -50.3 | 175.3 | -71.2 | 162.5 | 0 | 0 | 0 | 110.1 | A71 V72 A78 L79 A175 | A71-I75 WeakPolarHBondContact O-CB 3.3Å; A71-I75 WeakPolarHBondContact O-CD1 3.31Å; A71-I75 WeakPolarHBondContact O-CG1 3.32Å; A71-I75 PolarHBondContact O-N 3.17Å; V72-I75 PolarHBondContact O-N 2.75Å; I75-A78 PolarHBondContact O-N 2.83Å; I75-L79 HydrophobicContact CG2-CD1 3.97Å; I75-L79 HydrophobicContact CG2-CG 4.5Å; I75-L79 VanDerWaalsContact O-CG 3.3Å; I75-L79 WeakPolarHBondContact O-CG 3.43Å; I75-L79 PolarHBondContact O-N 3.39Å; I75-A175 HydrophobicContact CB-CB 4.48Å; I75-A175 HydrophobicContact CG1-CB 3.7Å |
| 76 | F | 96.3 | Very high | 96.1 | Very high | 99 Ų | 99 | 38.4 Ų | 38.4 | 43% | 0.434 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -63.1 | -44.2 | 177.7 | -79.6 | -76.5 | 0 | 0 | 0 | 111.4 | V72 A78 L79 R80 W112 | V72-F76 HydrophobicContact CG1-CD2 3.71Å; V72-F76 HydrophobicContact CG1-CE2 3.68Å; V72-F76 VanDerWaalsContact O-CD2 3.3Å; V72-F76 WeakPolarHBondContact O-CD2 3.21Å; V72-F76 PolarHBondContact O-N 2.92Å; F76-A78 PolarHBondContact O-N 3.44Å; F76-L79 PolarHBondContact O-N 2.97Å; F76-R80 WeakPolarHBondContact O-CB 3.46Å; F76-R80 VanDerWaalsContact O-CG 3.23Å; F76-R80 WeakPolarHBondContact O-CG 3.24Å; F76-R80 PolarHBondContact O-N 2.59Å; F76-W112 HydrophobicContact CB-CH2 3.37Å; F76-W112 HydrophobicContact CB-CZ2 3.96Å; F76-W112 HydrophobicContact CB-CZ3 4.02Å; F76-W112 HydrophobicContact CG-CH2 4.44Å |
| 77 | G | 96.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -55.3 | -49.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | F73 L79 R80 T81 | F73-G77 PolarHBondContact O-N 3.5Å; G77-L79 PolarHBondContact O-N 2.87Å; G77-R80 PolarHBondContact O-N 3.42Å; G77-T81 WeakPolarHBondContact O-CB 3.5Å; G77-T81 WeakPolarHBondContact O-CG2 3.44Å; G77-T81 PolarHBondContact O-N 3.48Å; G77-T81 PolarHBondContact O-OG1 3.49Å |
| 78 | A | 97 | Very high | 95.7 | Very high | 14 Ų | 14 | 40.4 Ų | 40.4 | 12% | 0.116 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.4 | -41.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | S74 I75 F76 G82 | S74-A78 VanDerWaalsContact O-CB 3.22Å; S74-A78 WeakPolarHBondContact O-CB 3.3Å; S74-A78 PolarHBondContact O-N 2.79Å; I75-A78 PolarHBondContact O-N 2.83Å; F76-A78 PolarHBondContact O-N 3.44Å; A78-G82 WeakPolarHBondContact O-CA 3.38Å; A78-G82 PolarHBondContact O-N 3.1Å |
| 79 | L | 95.3 | Very high | 95.5 | Very high | 110 Ų | 110 | 39.2 Ų | 39.2 | 58% | 0.576 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -66.6 | -45.4 | 179.1 | -71.4 | 172.8 | 0 | 0 | 0 | 111.5 | I75 F76 G77 A83 | I75-L79 HydrophobicContact CG2-CD1 3.97Å; I75-L79 HydrophobicContact CG2-CG 4.5Å; I75-L79 VanDerWaalsContact O-CG 3.3Å; I75-L79 WeakPolarHBondContact O-CG 3.43Å; I75-L79 PolarHBondContact O-N 3.39Å; F76-L79 PolarHBondContact O-N 2.97Å; G77-L79 PolarHBondContact O-N 2.87Å; L79-A83 VanDerWaalsContact O-CB 3.31Å; L79-A83 WeakPolarHBondContact O-CB 3.24Å; L79-A83 PolarHBondContact O-N 2.94Å |
| 80 | R | 93.3 | Very high | 95.3 | Very high | 10 Ų | 10 | 42.8 Ų | 42.8 | 4% | 0.038 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -72.5 | -50.1 | -176 | -62.2 | -62.2 | -72.3 | 174.4 | -1.2 | 111.6 | T7 Q9 E14 F76 G77 Y84 V108 W112 | T7-R80 PolarHBondContact O-NH1 2.99Å; Q9-R80 PolarHBondContact O-NH1 2.67Å; Q9-R80 PolarHBondContact O-NH2 3.28Å; E14-R80 IonicContact OE1-CZ 2.75Å; E14-R80 IonicContact OE1-NE 3.53Å; E14-R80 PolarHBondContact OE1-NE 2.85Å; E14-R80 IonicContact OE1-NH2 3.79Å; E14-R80 PolarHBondContact OE1-NH2 3.47Å; E14-R80 IonicContact OE2-CZ 2.96Å; E14-R80 IonicContact OE2-NE 3.93Å; E14-R80 IonicContact OE2-NH2 2.83Å; E14-R80 PolarHBondContact OE2-NH2 3.29Å; F76-R80 WeakPolarHBondContact O-CB 3.46Å; F76-R80 VanDerWaalsContact O-CG 3.23Å; F76-R80 WeakPolarHBondContact O-CG 3.24Å; F76-R80 PolarHBondContact O-N 2.59Å; G77-R80 PolarHBondContact O-N 3.42Å; R80-Y84 PolarHBondContact O-N 3.1Å; R80-V108 HydrophobicContact CB-CG1 3.83Å; R80-V108 HydrophobicContact CG-CG1 4.48Å; R80-V108 VanDerWaalsContact NE-CG1 3.33Å; R80-W112 HydrophobicContact CB-CD2 4.36Å; R80-W112 HydrophobicContact CB-CG 4.18Å; R80-W112 HydrophobicContact CG-CZ2 4Å |
| 81 | T | 95.4 | Very high | 95 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -71.1 | -34.8 | 177.9 | 72.4 | 0 | 0 | 0 | 0 | 111.4 | G77 Y84 M85 F103 W112 T168 Y171 | G77-T81 WeakPolarHBondContact O-CB 3.5Å; G77-T81 WeakPolarHBondContact O-CG2 3.44Å; G77-T81 PolarHBondContact O-N 3.48Å; G77-T81 PolarHBondContact O-OG1 3.49Å; T81-Y84 PolarHBondContact O-N 2.86Å; T81-M85 VanDerWaalsContact O-CG 3.27Å; T81-M85 WeakPolarHBondContact O-CG 3.31Å; T81-M85 PolarHBondContact O-N 3.32Å; T81-F103 HydrophobicContact CG2-CE2 4.2Å; T81-F103 HydrophobicContact CG2-CZ 3.68Å; T81-W112 HydrophobicContact CG2-CB 3.59Å; T81-W112 HydrophobicContact CG2-CG 4.33Å; T81-T168 VanDerWaalsContact CB-OG1 3.26Å; T81-T168 WeakPolarHBondContact CB-OG1 3.49Å; T81-T168 WeakPolarHBondContact OG1-CB 3.29Å; T81-T168 PolarHBondContact OG1-OG1 3.17Å; T81-Y171 HydrophobicContact CG2-CD2 4.25Å; T81-Y171 HydrophobicContact CG2-CE2 4.22Å |
| 82 | G | 94.6 | Very high | 94.7 | Very high | 16 Ų | 16 | 51.9 Ų | 51.9 | 17% | 0.165 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.8 | -44.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113 | A78 Y84 M85 V86 | A78-G82 WeakPolarHBondContact O-CA 3.38Å; A78-G82 PolarHBondContact O-N 3.1Å; G82-Y84 VanDerWaalsContact C-N 3.33Å; G82-Y84 PolarHBondContact O-N 3.46Å; G82-M85 PolarHBondContact O-N 3.13Å; G82-V86 WeakPolarHBondContact O-CB 3.49Å; G82-V86 VanDerWaalsContact O-CG2 3.29Å; G82-V86 WeakPolarHBondContact O-CG2 3.44Å; G82-V86 PolarHBondContact O-N 3.47Å |
| 83 | A | 92.7 | Very high | 94.5 | Very high | 17 Ų | 17 | 50.1 Ų | 50.1 | 14% | 0.14 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.7 | -43.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L79 Y87 | L79-A83 VanDerWaalsContact O-CB 3.31Å; L79-A83 WeakPolarHBondContact O-CB 3.24Å; L79-A83 PolarHBondContact O-N 2.94Å; A83-Y87 WeakPolarHBondContact O-CB 3.22Å; A83-Y87 PolarHBondContact O-N 3.12Å |
| 84 | Y | 92.8 | Very high | 94.3 | Very high | 22 Ų | 22 | 51.7 Ų | 51.7 | 9% | 0.086 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.6 | -48.3 | 175.4 | -176.6 | -89 | 0 | 0 | 0 | 112.3 | R80 T81 G82 V86 Y87 I88 D100 G102 F103 | R80-Y84 PolarHBondContact O-N 3.1Å; T81-Y84 PolarHBondContact O-N 2.86Å; G82-Y84 VanDerWaalsContact C-N 3.33Å; G82-Y84 PolarHBondContact O-N 3.46Å; Y84-V86 PolarHBondContact O-N 2.89Å; Y84-Y87 WeakPolarHBondContact O-CB 3.5Å; Y84-Y87 PolarHBondContact O-N 3.28Å; Y84-I88 HydrophobicContact CD1-CD1 4.12Å; Y84-I88 HydrophobicContact CD1-CG1 4.47Å; Y84-I88 HydrophobicContact CE1-CD1 3.3Å; Y84-I88 HydrophobicContact CE1-CG1 4.1Å; Y84-I88 HydrophobicContact CE2-CD1 4.26Å; Y84-I88 VanDerWaalsContact CZ-CD1 3.41Å; Y84-I88 PolarHBondContact O-N 3.4Å; Y84-I88 WeakPolarHBondContact OH-CD1 3.46Å; Y84-D100 WeakPolarHBondContact CE1-OD2 3.49Å; Y84-D100 PolarHBondContact OH-OD2 3.35Å; Y84-D100 VanDerWaalsContact OH-OD2 3.12Å; Y84-G102 PolarHBondContact OH-O 3.01Å; Y84-F103 AromaticContact CD1-CD2 3.63Å; Y84-F103 HydrophobicContact CD1-CD2 3.63Å; Y84-F103 HydrophobicContact CD1-CE2 4.2Å; Y84-F103 HydrophobicContact CE1-CB 4.13Å; Y84-F103 AromaticContact CE1-CD2 3.76Å; Y84-F103 HydrophobicContact CE1-CD2 3.76Å; Y84-F103 HydrophobicContact CE1-CG 4.41Å; Y84-F103 PolarHBondContact OH-N 2.96Å |
| 85 | M | 94.6 | Very high | 94.1 | Very high | 6 Ų | 6 | 55.4 Ų | 55.4 | 3% | 0.03 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.6 | -41.6 | -179.7 | -70 | -53.8 | -61.3 | 0 | 0 | 112.1 | T81 G82 Y87 I88 L89 F103 W165 T168 | T81-M85 VanDerWaalsContact O-CG 3.27Å; T81-M85 WeakPolarHBondContact O-CG 3.31Å; T81-M85 PolarHBondContact O-N 3.32Å; G82-M85 PolarHBondContact O-N 3.13Å; M85-Y87 VanDerWaalsContact C-N 3.35Å; M85-I88 PolarHBondContact O-N 2.86Å; M85-L89 WeakPolarHBondContact O-CB 3.3Å; M85-L89 PolarHBondContact O-N 3.44Å; M85-F103 HydrophobicContact CG-CE2 4.22Å; M85-F103 HydrophobicContact SD-CD2 3.74Å; M85-F103 HydrophobicContact SD-CE2 3.95Å; M85-W165 HydrophobicContact CE-CB 4.48Å; M85-W165 HydrophobicContact CE-CD2 3.76Å; M85-W165 HydrophobicContact CE-CG 3.65Å; M85-W165 HydrophobicContact CE-CZ2 4.28Å; M85-W165 VanDerWaalsContact CE-NE1 3.29Å; M85-T168 HydrophobicContact CG-CG2 4.24Å; M85-T168 WeakPolarHBondContact CG-OG1 3.36Å |
| 86 | V | 93.8 | Very high | 93.8 | Very high | 73 Ų | 73 | 56.2 Ų | 56.2 | 44% | 0.442 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63.4 | -42.6 | 175.4 | 170.2 | 0 | 0 | 0 | 0 | 110.7 | G82 Y84 L89 M90 | G82-V86 WeakPolarHBondContact O-CB 3.49Å; G82-V86 VanDerWaalsContact O-CG2 3.29Å; G82-V86 WeakPolarHBondContact O-CG2 3.44Å; G82-V86 PolarHBondContact O-N 3.47Å; Y84-V86 PolarHBondContact O-N 2.89Å; V86-L89 PolarHBondContact O-N 2.96Å; V86-M90 HydrophobicContact CG1-CE 4.29Å; V86-M90 HydrophobicContact CG1-CG 4.3Å; V86-M90 HydrophobicContact CG1-SD 3.84Å; V86-M90 WeakPolarHBondContact O-CB 3.44Å; V86-M90 WeakPolarHBondContact O-CG 3.43Å; V86-M90 PolarHBondContact O-N 2.88Å |
| 87 | Y | 91.9 | Very high | 93.7 | Very high | 110 Ų | 110 | 51.7 Ų | 51.7 | 43% | 0.431 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -59.7 | -50.3 | 177.1 | 172.3 | -97.7 | 0 | 0 | 0 | 112.1 | L8 A83 Y84 M85 L89 M90 T91 | L8-Y87 HydrophobicContact CD1-CD1 4.42Å; L8-Y87 HydrophobicContact CD1-CD2 3.71Å; L8-Y87 HydrophobicContact CD1-CE2 4.36Å; L8-Y87 HydrophobicContact CD1-CG 3.74Å; A83-Y87 WeakPolarHBondContact O-CB 3.22Å; A83-Y87 PolarHBondContact O-N 3.12Å; Y84-Y87 WeakPolarHBondContact O-CB 3.5Å; Y84-Y87 PolarHBondContact O-N 3.28Å; M85-Y87 VanDerWaalsContact C-N 3.35Å; Y87-L89 PolarHBondContact O-N 2.89Å; Y87-M90 PolarHBondContact O-N 3.34Å; Y87-T91 HydrophobicContact CD2-CG2 4.03Å; Y87-T91 HydrophobicContact CE2-CG2 3.76Å; Y87-T91 WeakPolarHBondContact O-CB 2.99Å; Y87-T91 WeakPolarHBondContact O-CG2 3.23Å; Y87-T91 PolarHBondContact O-N 3.45Å; Y87-T91 PolarHBondContact O-OG1 3.28Å |
| 88 | I | 92.3 | Very high | 93.7 | Very high | 4 Ų | 4 | 51.7 Ų | 51.7 | 2% | 0.021 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.6 | -40.5 | 178.6 | -67.2 | -165.3 | 0 | 0 | 0 | 111.3 | Y84 M85 M90 T91 K92 G93 D100 | Y84-I88 HydrophobicContact CD1-CD1 4.12Å; Y84-I88 HydrophobicContact CD1-CG1 4.47Å; Y84-I88 HydrophobicContact CE1-CD1 3.3Å; Y84-I88 HydrophobicContact CE1-CG1 4.1Å; Y84-I88 HydrophobicContact CE2-CD1 4.26Å; Y84-I88 VanDerWaalsContact CZ-CD1 3.41Å; Y84-I88 PolarHBondContact O-N 3.4Å; Y84-I88 WeakPolarHBondContact OH-CD1 3.46Å; M85-I88 PolarHBondContact O-N 2.86Å; I88-M90 VanDerWaalsContact C-N 3.34Å; I88-M90 PolarHBondContact O-N 3.34Å; I88-T91 PolarHBondContact O-N 3Å; I88-K92 HydrophobicContact CG2-CB 4.28Å; I88-K92 HydrophobicContact CG2-CD 4.44Å; I88-K92 WeakPolarHBondContact O-CA 3.38Å; I88-K92 PolarHBondContact O-N 3.15Å; I88-G93 PolarHBondContact O-N 3.33Å; I88-D100 HydrophobicContact CD1-CB 4.37Å; I88-D100 WeakPolarHBondContact CD1-OD2 3.27Å |
| 89 | L | 94 | Very high | 93.5 | Very high | 62 Ų | 62 | 51.8 Ų | 51.8 | 33% | 0.325 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -61 | -43.2 | 178 | -178.8 | 62.3 | 0 | 0 | 0 | 111.8 | M85 V86 Y87 G93 L94 W165 | M85-L89 WeakPolarHBondContact O-CB 3.3Å; M85-L89 PolarHBondContact O-N 3.44Å; V86-L89 PolarHBondContact O-N 2.96Å; Y87-L89 PolarHBondContact O-N 2.89Å; L89-G93 WeakPolarHBondContact O-CA 3.31Å; L89-G93 PolarHBondContact O-N 3.18Å; L89-G93 VanDerWaalsContact O-N 3.14Å; L89-L94 HydrophobicContact CD1-CB 4.07Å; L89-L94 HydrophobicContact CD1-CD1 3.98Å; L89-W165 HydrophobicContact CD1-CZ2 4.39Å; L89-W165 HydrophobicContact CD2-CH2 4.05Å; L89-W165 HydrophobicContact CD2-CZ2 4.16Å |
| 90 | M | 93.3 | Very high | 93.4 | Very high | 158 Ų | 158 | 47.3 Ų | 47.3 | 78% | 0.778 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -74.9 | -31.9 | -179.5 | -73.4 | -175.1 | 157.1 | 0 | 0 | 113.5 | V86 Y87 I88 | V86-M90 HydrophobicContact CG1-CE 4.29Å; V86-M90 HydrophobicContact CG1-CG 4.3Å; V86-M90 HydrophobicContact CG1-SD 3.84Å; V86-M90 WeakPolarHBondContact O-CB 3.44Å; V86-M90 WeakPolarHBondContact O-CG 3.43Å; V86-M90 PolarHBondContact O-N 2.88Å; Y87-M90 PolarHBondContact O-N 3.34Å; I88-M90 VanDerWaalsContact C-N 3.34Å; I88-M90 PolarHBondContact O-N 3.34Å |
| 91 | T | 91.7 | Very high | 93.3 | Very high | 81 Ų | 81 | 49.7 Ų | 49.7 | 50% | 0.497 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -94.5 | -37 | -174.6 | 55.2 | 0 | 0 | 0 | 0 | 113.6 | Y87 I88 | Y87-T91 HydrophobicContact CD2-CG2 4.03Å; Y87-T91 HydrophobicContact CE2-CG2 3.76Å; Y87-T91 WeakPolarHBondContact O-CB 2.99Å; Y87-T91 WeakPolarHBondContact O-CG2 3.23Å; Y87-T91 PolarHBondContact O-N 3.45Å; Y87-T91 PolarHBondContact O-OG1 3.28Å; I88-T91 PolarHBondContact O-N 3Å |
| 92 | K | 91.2 | Very high | 93 | Very high | 124 Ų | 124 | 51 Ų | 51 | 54% | 0.539 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -116.4 | -6.6 | -174.4 | -52.6 | -169.6 | -175.8 | 179.1 | 0 | 113.8 | I88 Q96 | I88-K92 HydrophobicContact CG2-CB 4.28Å; I88-K92 HydrophobicContact CG2-CD 4.44Å; I88-K92 WeakPolarHBondContact O-CA 3.38Å; I88-K92 PolarHBondContact O-N 3.15Å; K92-Q96 HydrophobicContact CB-CB 3.63Å; K92-Q96 HydrophobicContact CB-CG 3.72Å; K92-Q96 HydrophobicContact CD-CG 3.72Å; K92-Q96 HydrophobicContact CG-CG 4.37Å; K92-Q96 WeakPolarHBondContact O-CB 3.34Å |
| 93 | G | 94 | Very high | 93 | Very high | 29 Ų | 29 | 50.2 Ų | 50.2 | 30% | 0.299 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | 82.5 | 175.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | I88 L89 S97 | I88-G93 PolarHBondContact O-N 3.33Å; L89-G93 WeakPolarHBondContact O-CA 3.31Å; L89-G93 PolarHBondContact O-N 3.18Å; L89-G93 VanDerWaalsContact O-N 3.14Å; G93-S97 PolarHBondContact O-N 3.36Å |
| 94 | L | 94 | Very high | 92.9 | Very high | 83 Ų | 83 | 49.4 Ų | 49.4 | 44% | 0.435 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -61.9 | -48.8 | -172.1 | -178.1 | 65.4 | 0 | 0 | 0 | 112.7 | L89 Q96 S97 V98 W165 L215 W219 | L89-L94 HydrophobicContact CD1-CB 4.07Å; L89-L94 HydrophobicContact CD1-CD1 3.98Å; L94-Q96 VanDerWaalsContact C-N 3.34Å; L94-Q96 PolarHBondContact O-N 3.35Å; L94-S97 PolarHBondContact O-N 3.34Å; L94-S97 VanDerWaalsContact O-N 3.12Å; L94-S97 PolarHBondContact O-OG 3.34Å; L94-V98 HydrophobicContact CD1-CG2 4.17Å; L94-V98 HydrophobicContact CG-CG2 4.47Å; L94-V98 WeakPolarHBondContact O-CG2 3.39Å; L94-V98 PolarHBondContact O-N 3.49Å; L94-W165 HydrophobicContact CD1-CZ2 4.31Å; L94-L215 HydrophobicContact CD2-CD1 4.32Å; L94-W219 HydrophobicContact CD2-CH2 4.41Å; L94-W219 HydrophobicContact CG-CH2 4.18Å |
| 95 | K | 93.4 | Very high | 92.9 | Very high | 79 Ų | 79 | 51.5 Ų | 51.5 | 34% | 0.343 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -54 | -51.5 | -179 | 177.8 | -177 | 171.2 | -165.2 | 0 | 111.6 | S97 V98 C99 W219 | K95-S97 VanDerWaalsContact C-N 3.34Å; K95-S97 PolarHBondContact O-N 3.15Å; K95-V98 PolarHBondContact O-N 3.12Å; K95-C99 PolarHBondContact O-N 3.43Å; K95-W219 VanDerWaalsContact CA-CH2 3.46Å; K95-W219 HydrophobicContact CB-CD2 4.37Å; K95-W219 HydrophobicContact CB-CE3 4.49Å; K95-W219 HydrophobicContact CB-CH2 3.96Å; K95-W219 HydrophobicContact CB-CZ2 3.78Å; K95-W219 HydrophobicContact CB-CZ3 4.32Å; K95-W219 HydrophobicContact CG-CD2 3.83Å; K95-W219 HydrophobicContact CG-CE3 4.16Å; K95-W219 HydrophobicContact CG-CG 4.25Å; K95-W219 HydrophobicContact CG-CH2 4.46Å; K95-W219 HydrophobicContact CG-CZ2 4.12Å; K95-W219 HydrophobicContact CG-CZ3 4.48Å |
| 96 | Q | 92.5 | Very high | 92.5 | Very high | 83 Ų | 83 | 51.5 Ų | 51.5 | 39% | 0.388 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -65.5 | -39.9 | 179.6 | -165.8 | 64.7 | 26.5 | 0 | 0 | 111.3 | K92 L94 V98 C99 D100 | K92-Q96 HydrophobicContact CB-CB 3.63Å; K92-Q96 HydrophobicContact CB-CG 3.72Å; K92-Q96 HydrophobicContact CD-CG 3.72Å; K92-Q96 HydrophobicContact CG-CG 4.37Å; K92-Q96 WeakPolarHBondContact O-CB 3.34Å; L94-Q96 VanDerWaalsContact C-N 3.34Å; L94-Q96 PolarHBondContact O-N 3.35Å; Q96-V98 VanDerWaalsContact C-N 3.25Å; Q96-V98 PolarHBondContact O-N 3.04Å; Q96-C99 PolarHBondContact O-N 2.64Å; Q96-D100 VanDerWaalsContact O-CB 3.24Å; Q96-D100 WeakPolarHBondContact O-CB 3.27Å; Q96-D100 PolarHBondContact O-N 3.09Å |
| 97 | S | 94.4 | Very high | 92 | Very high | 4 Ų | 4 | 50.9 Ų | 50.9 | 3% | 0.028 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.6 | -31.4 | 177.7 | 78.5 | 0 | 0 | 0 | 0 | 114 | G93 L94 K95 W165 | G93-S97 PolarHBondContact O-N 3.36Å; L94-S97 PolarHBondContact O-N 3.34Å; L94-S97 VanDerWaalsContact O-N 3.12Å; L94-S97 PolarHBondContact O-OG 3.34Å; K95-S97 VanDerWaalsContact C-N 3.34Å; K95-S97 PolarHBondContact O-N 3.15Å; S97-W165 PolarHBondContact OG-NE1 3.41Å; S97-W165 VanDerWaalsContact OG-NE1 3.14Å |
| 98 | V | 95 | Very high | 91.9 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -81.1 | -41 | 178.7 | 171.5 | 0 | 0 | 0 | 0 | 110.8 | L94 K95 Q96 D100 G162 I212 L215 V216 W219 | L94-V98 HydrophobicContact CD1-CG2 4.17Å; L94-V98 HydrophobicContact CG-CG2 4.47Å; L94-V98 WeakPolarHBondContact O-CG2 3.39Å; L94-V98 PolarHBondContact O-N 3.49Å; K95-V98 PolarHBondContact O-N 3.12Å; Q96-V98 VanDerWaalsContact C-N 3.25Å; Q96-V98 PolarHBondContact O-N 3.04Å; V98-D100 PolarHBondContact O-N 3.02Å; V98-G162 WeakPolarHBondContact O-CA 3.34Å; V98-G162 PolarHBondContact O-N 3.25Å; V98-I212 HydrophobicContact CG1-CG2 4.27Å; V98-I212 HydrophobicContact CG2-CD1 3.85Å; V98-L215 HydrophobicContact CG1-CB 4.39Å; V98-L215 HydrophobicContact CG2-CD1 4.48Å; V98-V216 HydrophobicContact CG1-CG2 3.45Å; V98-V216 VanDerWaalsContact CG1-CG2 3.45Å; V98-W219 HydrophobicContact CB-CE3 4.19Å; V98-W219 HydrophobicContact CB-CZ3 3.57Å; V98-W219 HydrophobicContact CG1-CE3 4.07Å; V98-W219 HydrophobicContact CG1-CZ3 3.76Å; V98-W219 HydrophobicContact CG2-CH2 4.49Å; V98-W219 HydrophobicContact CG2-CZ3 3.84Å |
| 99 | C | 93.6 | Very high | 91.9 | Very high | 16 Ų | 16 | 45.5 Ų | 45.5 | 11% | 0.108 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -84.7 | 5.7 | 179.8 | -64.9 | 0 | 0 | 0 | 0 | 113.9 | K95 Q96 Q101 C225 | K95-C99 PolarHBondContact O-N 3.43Å; Q96-C99 PolarHBondContact O-N 2.64Å; C99-Q101 PolarHBondContact O-N 3.24Å; C99-Q101 VanDerWaalsContact O-N 3.1Å; C99-C225 VanDerWaalsContact CA-SG 3.53Å; C99-C225 HydrophobicContact CB-CB 3.99Å; C99-C225 WeakPolarHBondContact CB-SG 3.47Å; C99-C225 WeakPolarHBondContact SG-CB 3.24Å; C99-C225 CovalentContact SG-SG 2.04Å; C99-C225 PolarHBondContact SG-SG 2.9Å |
| 100 | D | 91.9 | Very high | 91.9 | Very high | 16 Ų | 16 | 43.4 Ų | 43.4 | 9% | 0.086 | 24% | 0.236 | C | C | . | . | trans | -74.6 | 101.8 | -176.2 | -174.4 | 53.1 | 0 | 0 | 0 | 112 | Y84 I88 Q96 V98 G102 F103 | Y84-D100 WeakPolarHBondContact CE1-OD2 3.49Å; Y84-D100 PolarHBondContact OH-OD2 3.35Å; Y84-D100 VanDerWaalsContact OH-OD2 3.12Å; I88-D100 HydrophobicContact CD1-CB 4.37Å; I88-D100 WeakPolarHBondContact CD1-OD2 3.27Å; Q96-D100 VanDerWaalsContact O-CB 3.24Å; Q96-D100 WeakPolarHBondContact O-CB 3.27Å; Q96-D100 PolarHBondContact O-N 3.09Å; V98-D100 PolarHBondContact O-N 3.02Å; D100-G102 WeakPolarHBondContact OD1-CA 3.34Å; D100-G102 PolarHBondContact OD1-N 3.21Å; D100-G102 VanDerWaalsContact OD1-N 3.11Å; D100-F103 PolarHBondContact OD2-N 3.43Å | ||
| 101 | Q | 91.8 | Very high | 92 | Very high | 60 Ų | 60 | 38.5 Ų | 38.5 | 28% | 0.28 | 21% | 0.21 | S | C | . | . | G | 310 helix | trans | -78.3 | -11.7 | 164.6 | -59.3 | -173.9 | -61.2 | 0 | 0 | 111.7 | C99 F103 Y104 M159 | C99-Q101 PolarHBondContact O-N 3.24Å; C99-Q101 VanDerWaalsContact O-N 3.1Å; Q101-F103 PolarHBondContact O-N 2.75Å; Q101-F103 VanDerWaalsContact O-N 3.15Å; Q101-Y104 WeakPolarHBondContact O-CD2 3.32Å; Q101-Y104 PolarHBondContact O-N 3.39Å; Q101-M159 WeakPolarHBondContact CG-O 3.49Å; Q101-M159 PolarHBondContact NE2-O 2.87Å |
| 102 | G | 90.5 | Very high | 92.2 | Very high | 27 Ų | 27 | 35.4 Ų | 35.4 | 28% | 0.278 | 19% | 0.189 | S | C | . | . | G | 310 helix | trans | -57.6 | -24.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y84 D100 Y104 N105 G106 | Y84-G102 PolarHBondContact OH-O 3.01Å; D100-G102 WeakPolarHBondContact OD1-CA 3.34Å; D100-G102 PolarHBondContact OD1-N 3.21Å; D100-G102 VanDerWaalsContact OD1-N 3.11Å; G102-Y104 PolarHBondContact O-N 3.11Å; G102-Y104 VanDerWaalsContact O-N 3.14Å; G102-N105 CarbonylContact O-C 3.47Å; G102-N105 PolarHBondContact O-N 2.96Å; G102-G106 WeakPolarHBondContact O-CA 3.25Å; G102-G106 PolarHBondContact O-N 3.27Å |
| 103 | F | 92.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.163 | C | C | . | . | G | 310 helix | trans | -51.7 | -35 | 174 | -172.2 | -92.3 | 0 | 0 | 0 | 113.9 | T81 Y84 M85 D100 Q101 S109 A113 M167 | T81-F103 HydrophobicContact CG2-CE2 4.2Å; T81-F103 HydrophobicContact CG2-CZ 3.68Å; Y84-F103 AromaticContact CD1-CD2 3.63Å; Y84-F103 HydrophobicContact CD1-CD2 3.63Å; Y84-F103 HydrophobicContact CD1-CE2 4.2Å; Y84-F103 HydrophobicContact CE1-CB 4.13Å; Y84-F103 AromaticContact CE1-CD2 3.76Å; Y84-F103 HydrophobicContact CE1-CD2 3.76Å; Y84-F103 HydrophobicContact CE1-CG 4.41Å; Y84-F103 PolarHBondContact OH-N 2.96Å; M85-F103 HydrophobicContact CG-CE2 4.22Å; M85-F103 HydrophobicContact SD-CD2 3.74Å; M85-F103 HydrophobicContact SD-CE2 3.95Å; D100-F103 PolarHBondContact OD2-N 3.43Å; Q101-F103 PolarHBondContact O-N 2.75Å; Q101-F103 VanDerWaalsContact O-N 3.15Å; F103-S109 CarbonylContact O-C 3.55Å; F103-S109 WeakPolarHBondContact O-CB 3.13Å; F103-S109 PolarHBondContact O-OG 3.09Å; F103-A113 HydrophobicContact CD1-CB 4.04Å; F103-A113 HydrophobicContact CE1-CB 3.72Å; F103-M167 HydrophobicContact CD1-SD 4.38Å; F103-M167 HydrophobicContact CE1-CB 4.36Å; F103-M167 HydrophobicContact CE1-SD 3.65Å; F103-M167 HydrophobicContact CZ-CB 4.42Å |
| 104 | Y | 92.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.156 | C | C | . | . | G | 310 helix | trans | -77.9 | -22.9 | -178.1 | -63.2 | -89.2 | 0 | 0 | 0 | 113.5 | Q101 G102 K110 A113 Y156 M159 V160 M167 | Q101-Y104 WeakPolarHBondContact O-CD2 3.32Å; Q101-Y104 PolarHBondContact O-N 3.39Å; G102-Y104 PolarHBondContact O-N 3.11Å; G102-Y104 VanDerWaalsContact O-N 3.14Å; Y104-K110 WeakPolarHBondContact O-CA 3.24Å; Y104-K110 WeakPolarHBondContact O-CB 3.48Å; Y104-A113 HydrophobicContact CD1-CB 4.26Å; Y104-Y156 AromaticContact CD1-CD2 3.69Å; Y104-Y156 HydrophobicContact CD1-CD2 3.69Å; Y104-Y156 AromaticContact CD1-CE2 3.6Å; Y104-Y156 HydrophobicContact CD1-CE2 3.6Å; Y104-Y156 HydrophobicContact CD1-CG 4.41Å; Y104-Y156 AromaticContact CE1-CD2 3.59Å; Y104-Y156 HydrophobicContact CE1-CD2 3.59Å; Y104-Y156 AromaticContact CE1-CE2 4Å; Y104-Y156 HydrophobicContact CE1-CE2 4Å; Y104-Y156 HydrophobicContact CE1-CG 4.2Å; Y104-M159 HydrophobicContact CD1-CB 4.5Å; Y104-M159 HydrophobicContact CD1-CG 4.2Å; Y104-M159 HydrophobicContact CD2-CB 3.71Å; Y104-M159 HydrophobicContact CD2-CG 4.09Å; Y104-M159 VanDerWaalsContact CE2-C 3.43Å; Y104-M159 HydrophobicContact CE2-CB 3.91Å; Y104-M159 HydrophobicContact CG-CB 4.03Å; Y104-M159 HydrophobicContact CG-CG 3.88Å; Y104-V160 PolarHBondContact OH-N 3.13Å; Y104-V160 PolarHBondContact OH-O 3.45Å; Y104-M167 HydrophobicContact CE1-CE 3.75Å |
| 105 | N | 91.4 | Very high | 92.8 | Very high | 67 Ų | 67 | 26.7 Ų | 26.7 | 36% | 0.358 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -119.1 | 5.5 | -177 | -56.2 | -37.8 | 0 | 0 | 0 | 112.3 | E19 I23 G102 | E19-N105 HydrophobicContact CG-CB 4.29Å; E19-N105 WeakPolarHBondContact CG-OD1 3.19Å; I23-N105 VanDerWaalsContact CD1-OD1 3.3Å; I23-N105 WeakPolarHBondContact CD1-OD1 3.37Å; G102-N105 CarbonylContact O-C 3.47Å; G102-N105 PolarHBondContact O-N 2.96Å |
| 106 | G | 86.4 | Confident | 93 | Very high | 5 Ų | 5 | 23.6 Ų | 23.6 | 5% | 0.052 | 13% | 0.128 | C | C | . | . | trans | -70.6 | 146.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 111 | G102 V108 S109 K110 | G102-G106 WeakPolarHBondContact O-CA 3.25Å; G102-G106 PolarHBondContact O-N 3.27Å; G106-V108 VanDerWaalsContact C-N 3.28Å; G106-V108 PolarHBondContact O-N 3.23Å; G106-V108 VanDerWaalsContact O-N 3.16Å; G106-S109 WeakPolarHBondContact CA-OG 3.47Å; G106-S109 PolarHBondContact O-N 3.2Å; G106-K110 VanDerWaalsContact O-CB 3.25Å; G106-K110 WeakPolarHBondContact O-CB 3.46Å; G106-K110 WeakPolarHBondContact O-CG 3.44Å; G106-K110 PolarHBondContact O-N 3.04Å | ||
| 107 | P | 84.4 | Confident | 93.2 | Very high | 61 Ų | 61 | 19.6 Ų | 19.6 | 40% | 0.396 | 11% | 0.11 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51 | -47.6 | -172 | 15.3 | -29.5 | 0 | 0 | 0 | 112.7 | E10 | E10-P107 HydrophobicContact CG-CB 3.58Å; E10-P107 VanDerWaalsContact OE1-CB 3.24Å; E10-P107 WeakPolarHBondContact OE1-CB 3.38Å; E10-P107 WeakPolarHBondContact OE2-CB 3.23Å |
| 108 | V | 88.3 | Confident | 93.2 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -43.4 | 177.8 | 177.2 | 0 | 0 | 0 | 0 | 111.8 | L8 E10 R80 G106 W112 | L8-V108 VanDerWaalsContact O-CG2 3.26Å; L8-V108 WeakPolarHBondContact O-CG2 3.47Å; E10-V108 HydrophobicContact CG-CG2 4.05Å; R80-V108 HydrophobicContact CB-CG1 3.83Å; R80-V108 HydrophobicContact CG-CG1 4.48Å; R80-V108 VanDerWaalsContact NE-CG1 3.33Å; G106-V108 VanDerWaalsContact C-N 3.28Å; G106-V108 PolarHBondContact O-N 3.23Å; G106-V108 VanDerWaalsContact O-N 3.16Å; V108-W112 VanDerWaalsContact O-CD1 3.25Å |
| 109 | S | 93 | Very high | 93.3 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -77.5 | -24.1 | -166.1 | 54.6 | 0 | 0 | 0 | 0 | 114.6 | F103 G106 F111 W112 A113 | F103-S109 CarbonylContact O-C 3.55Å; F103-S109 WeakPolarHBondContact O-CB 3.13Å; F103-S109 PolarHBondContact O-OG 3.09Å; G106-S109 WeakPolarHBondContact CA-OG 3.47Å; G106-S109 PolarHBondContact O-N 3.2Å; S109-F111 PolarHBondContact O-N 2.83Å; S109-W112 PolarHBondContact O-N 3.38Å; S109-A113 WeakPolarHBondContact O-CB 3.2Å; S109-A113 PolarHBondContact O-N 3.31Å |
| 110 | K | 93.6 | Very high | 93.5 | Very high | 19 Ų | 19 | 21.7 Ų | 21.7 | 8% | 0.083 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -56.8 | -48.9 | -173.4 | 62.3 | -173.2 | -170.3 | 162.2 | 0 | 114.4 | E14 F17 E19 Y104 G106 A113 Y114 | E14-K110 WeakPolarHBondContact O-CE 3.15Å; F17-K110 HydrophobicContact CD1-CB 4.36Å; F17-K110 HydrophobicContact CD1-CD 4.37Å; F17-K110 HydrophobicContact CD1-CG 3.96Å; F17-K110 WeakPolarHBondContact O-CE 3.45Å; F17-K110 PolarHBondContact O-NZ 2.66Å; E19-K110 HydrophobicContact CB-CB 4.2Å; E19-K110 HydrophobicContact CB-CD 4.28Å; E19-K110 HydrophobicContact CG-CD 4.49Å; E19-K110 WeakPolarHBondContact OE2-CD 3.35Å; E19-K110 IonicContact OE2-NZ 3.32Å; E19-K110 PolarHBondContact OE2-NZ 2.93Å; Y104-K110 WeakPolarHBondContact O-CA 3.24Å; Y104-K110 WeakPolarHBondContact O-CB 3.48Å; G106-K110 VanDerWaalsContact O-CB 3.25Å; G106-K110 WeakPolarHBondContact O-CB 3.46Å; G106-K110 WeakPolarHBondContact O-CG 3.44Å; G106-K110 PolarHBondContact O-N 3.04Å; K110-A113 PolarHBondContact O-N 3.34Å; K110-Y114 PolarHBondContact O-N 3.2Å |
| 111 | F | 95.4 | Very high | 93.7 | Very high | 54 Ų | 54 | 22.2 Ų | 22.2 | 24% | 0.237 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -63.4 | -46.1 | 177.8 | 170.5 | -93.4 | 0 | 0 | 0 | 110.9 | F13 E14 F17 S109 A113 Y114 A115 | F13-F111 HydrophobicContact CD2-CD1 4.25Å; F13-F111 HydrophobicContact CD2-CD2 4.27Å; F13-F111 HydrophobicContact CD2-CE1 4.24Å; F13-F111 HydrophobicContact CD2-CE2 4.26Å; F13-F111 HydrophobicContact CD2-CG 4.26Å; F13-F111 HydrophobicContact CD2-CZ 4.24Å; F13-F111 AromaticContact CE2-CD1 3.61Å; F13-F111 HydrophobicContact CE2-CD1 3.61Å; F13-F111 HydrophobicContact CE2-CD2 4.43Å; F13-F111 AromaticContact CE2-CE1 3.61Å; F13-F111 HydrophobicContact CE2-CE1 3.61Å; F13-F111 HydrophobicContact CE2-CE2 4.43Å; F13-F111 HydrophobicContact CE2-CG 4.03Å; F13-F111 HydrophobicContact CE2-CZ 4.04Å; E14-F111 HydrophobicContact CG-CB 4.42Å; F17-F111 HydrophobicContact CB-CB 4.31Å; F17-F111 HydrophobicContact CB-CD2 4.43Å; F17-F111 HydrophobicContact CD1-CB 4.18Å; F17-F111 AromaticContact CD2-CD2 3.73Å; F17-F111 HydrophobicContact CD2-CD2 3.73Å; F17-F111 HydrophobicContact CE2-CD2 4.15Å; F17-F111 HydrophobicContact CG-CB 4.08Å; F17-F111 HydrophobicContact CG-CD2 4.08Å; S109-F111 PolarHBondContact O-N 2.83Å; F111-A113 VanDerWaalsContact C-N 3.34Å; F111-A113 PolarHBondContact O-N 3.46Å; F111-Y114 PolarHBondContact O-N 2.96Å; F111-A115 HydrophobicContact CE1-CB 4.22Å; F111-A115 HydrophobicContact CZ-CB 4.41Å; F111-A115 WeakPolarHBondContact O-CB 3.35Å; F111-A115 PolarHBondContact O-N 3.2Å |
| 112 | W | 96.6 | Very high | 93.8 | Very high | 16 Ų | 16 | 22.5 Ų | 22.5 | 6% | 0.061 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -68.3 | -33.3 | -177.4 | -66.3 | 101.7 | 0 | 0 | 0 | 112.6 | F13 E14 F73 F76 R80 T81 V108 S109 F116 Y171 | F13-W112 HydrophobicContact CZ-CZ2 4.32Å; E14-W112 PolarHBondContact OE1-NE1 3.15Å; F73-W112 HydrophobicContact CD2-CZ3 4.18Å; F73-W112 HydrophobicContact CE2-CE3 4.49Å; F73-W112 HydrophobicContact CE2-CZ3 4.12Å; F76-W112 HydrophobicContact CB-CH2 3.37Å; F76-W112 HydrophobicContact CB-CZ2 3.96Å; F76-W112 HydrophobicContact CB-CZ3 4.02Å; F76-W112 HydrophobicContact CG-CH2 4.44Å; R80-W112 HydrophobicContact CB-CD2 4.36Å; R80-W112 HydrophobicContact CB-CG 4.18Å; R80-W112 HydrophobicContact CG-CZ2 4Å; T81-W112 HydrophobicContact CG2-CB 3.59Å; T81-W112 HydrophobicContact CG2-CG 4.33Å; V108-W112 VanDerWaalsContact O-CD1 3.25Å; S109-W112 PolarHBondContact O-N 3.38Å; W112-F116 VanDerWaalsContact O-CB 3.27Å; W112-F116 WeakPolarHBondContact O-CB 3.22Å; W112-F116 PolarHBondContact O-N 2.84Å; W112-Y171 PolarHBondContact O-OH 3.27Å; W112-Y171 VanDerWaalsContact O-OH 3.1Å |
| 113 | A | 96.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -62.2 | -44.9 | 173 | 0 | 0 | 0 | 0 | 0 | 111.2 | F103 Y104 S109 K110 F111 F116 V117 Y156 M167 | F103-A113 HydrophobicContact CD1-CB 4.04Å; F103-A113 HydrophobicContact CE1-CB 3.72Å; Y104-A113 HydrophobicContact CD1-CB 4.26Å; S109-A113 WeakPolarHBondContact O-CB 3.2Å; S109-A113 PolarHBondContact O-N 3.31Å; K110-A113 PolarHBondContact O-N 3.34Å; F111-A113 VanDerWaalsContact C-N 3.34Å; F111-A113 PolarHBondContact O-N 3.46Å; A113-F116 WeakPolarHBondContact O-CB 3.45Å; A113-V117 WeakPolarHBondContact O-CG2 3.04Å; A113-V117 PolarHBondContact O-N 3.36Å; A113-Y156 HydrophobicContact CB-CE2 3.89Å; A113-M167 HydrophobicContact CB-SD 4.02Å |
| 114 | Y | 96.8 | Very high | 94.2 | Very high | 39 Ų | 39 | 22.3 Ų | 22.3 | 15% | 0.153 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -67.6 | -47.3 | 177.2 | -176.2 | -118.5 | 0 | 0 | 0 | 111.9 | F17 A22 W25 M26 K110 F111 F116 V117 L118 Y156 | F17-Y114 AromaticContact CE2-CD1 3.7Å; F17-Y114 HydrophobicContact CE2-CD1 3.7Å; F17-Y114 HydrophobicContact CE2-CE1 4.31Å; F17-Y114 HydrophobicContact CE2-CG 4.36Å; F17-Y114 AromaticContact CZ-CD1 3.49Å; F17-Y114 HydrophobicContact CZ-CD1 3.49Å; F17-Y114 VanDerWaalsContact CZ-CD1 3.49Å; F17-Y114 HydrophobicContact CZ-CE1 4.33Å; F17-Y114 AromaticContact CZ-CG 3.69Å; F17-Y114 HydrophobicContact CZ-CG 3.69Å; A22-Y114 HydrophobicContact CB-CD1 4.26Å; A22-Y114 HydrophobicContact CB-CD2 3.72Å; A22-Y114 HydrophobicContact CB-CE1 4.4Å; A22-Y114 HydrophobicContact CB-CE2 3.89Å; A22-Y114 HydrophobicContact CB-CG 3.91Å; W25-Y114 HydrophobicContact CE3-CE2 4.33Å; M26-Y114 HydrophobicContact CG-CD2 4.14Å; M26-Y114 HydrophobicContact CG-CE2 3.79Å; M26-Y114 HydrophobicContact SD-CE2 4.05Å; K110-Y114 PolarHBondContact O-N 3.2Å; F111-Y114 PolarHBondContact O-N 2.96Å; Y114-F116 VanDerWaalsContact C-N 3.25Å; Y114-F116 PolarHBondContact O-N 2.89Å; Y114-V117 PolarHBondContact O-N 2.85Å; Y114-V117 VanDerWaalsContact O-N 3.15Å; Y114-L118 HydrophobicContact CD1-CD1 3.95Å; Y114-L118 HydrophobicContact CD1-CG 4.49Å; Y114-L118 HydrophobicContact CE1-CD1 3.36Å; Y114-L118 HydrophobicContact CE1-CG 4.15Å; Y114-L118 HydrophobicContact CE2-CD1 4.25Å; Y114-L118 HydrophobicContact CE2-CD2 4.39Å; Y114-L118 HydrophobicContact CE2-CG 4.22Å; Y114-L118 PolarHBondContact O-N 3.2Å; Y114-L118 VanDerWaalsContact O-N 3.1Å; Y114-Y156 HydrophobicContact CD2-CE1 4.2Å |
| 115 | A | 97 | Very high | 94.3 | Very high | 15 Ų | 15 | 22.7 Ų | 22.7 | 12% | 0.124 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -59.3 | -36.6 | 179 | 0 | 0 | 0 | 0 | 0 | 112.1 | F73 F111 V117 L118 S119 | F73-A115 HydrophobicContact CE2-CB 3.93Å; F73-A115 HydrophobicContact CZ-CB 4.02Å; F111-A115 HydrophobicContact CE1-CB 4.22Å; F111-A115 HydrophobicContact CZ-CB 4.41Å; F111-A115 WeakPolarHBondContact O-CB 3.35Å; F111-A115 PolarHBondContact O-N 3.2Å; A115-V117 PolarHBondContact O-N 2.82Å; A115-L118 PolarHBondContact O-N 3.47Å; A115-S119 WeakPolarHBondContact O-CB 3.32Å; A115-S119 PolarHBondContact O-N 3.19Å |
| 116 | F | 97.7 | Very high | 94.4 | Very high | 13 Ų | 13 | 20.2 Ų | 20.2 | 6% | 0.057 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -58.2 | -46.8 | 175.4 | 178.4 | -93 | 0 | 0 | 0 | 112.7 | W112 A113 Y114 S119 M167 N170 Y171 | W112-F116 VanDerWaalsContact O-CB 3.27Å; W112-F116 WeakPolarHBondContact O-CB 3.22Å; W112-F116 PolarHBondContact O-N 2.84Å; A113-F116 WeakPolarHBondContact O-CB 3.45Å; Y114-F116 VanDerWaalsContact C-N 3.25Å; Y114-F116 PolarHBondContact O-N 2.89Å; F116-S119 PolarHBondContact O-N 3.24Å; F116-S119 PolarHBondContact O-OG 3.25Å; F116-M167 HydrophobicContact CB-SD 4.4Å; F116-M167 HydrophobicContact CD1-CB 4.32Å; F116-M167 HydrophobicContact CD1-CE 4.33Å; F116-M167 HydrophobicContact CD1-CG 3.61Å; F116-M167 HydrophobicContact CD1-SD 4.09Å; F116-M167 HydrophobicContact CD2-CB 4.22Å; F116-M167 HydrophobicContact CD2-CG 4.38Å; F116-M167 HydrophobicContact CE1-CB 4.44Å; F116-M167 HydrophobicContact CE1-CG 3.77Å; F116-M167 HydrophobicContact CE2-CB 4.32Å; F116-M167 HydrophobicContact CE2-CG 4.49Å; F116-M167 HydrophobicContact CG-CB 4.2Å; F116-M167 HydrophobicContact CG-CG 3.94Å; F116-M167 HydrophobicContact CG-SD 4.33Å; F116-M167 HydrophobicContact CZ-CB 4.43Å; F116-M167 HydrophobicContact CZ-CG 4.21Å; F116-N170 HydrophobicContact CE2-CB 3.7Å; F116-N170 WeakPolarHBondContact CE2-OD1 3.31Å; F116-N170 HydrophobicContact CZ-CB 3.82Å; F116-N170 WeakPolarHBondContact CZ-OD1 3.21Å; F116-Y171 VanDerWaalsContact CA-OH 3.27Å; F116-Y171 WeakPolarHBondContact CA-OH 3.34Å; F116-Y171 HydrophobicContact CB-CE2 3.78Å; F116-Y171 WeakPolarHBondContact CB-OH 3.47Å; F116-Y171 HydrophobicContact CD2-CD1 4.31Å; F116-Y171 AromaticContact CD2-CD2 3.88Å; F116-Y171 HydrophobicContact CD2-CD2 3.88Å; F116-Y171 HydrophobicContact CD2-CE1 4.05Å; F116-Y171 AromaticContact CD2-CE2 3.57Å; F116-Y171 HydrophobicContact CD2-CE2 3.57Å; F116-Y171 HydrophobicContact CD2-CG 4.24Å; F116-Y171 AromaticContact CD2-CZ 3.67Å; F116-Y171 HydrophobicContact CG-CE2 4.11Å; F116-Y171 PolarHBondContact N-OH 3.17Å |
| 117 | V | 96.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -71.2 | -40.3 | -175.9 | 176.9 | 0 | 0 | 0 | 0 | 110.1 | M26 A113 Y114 A115 S119 K120 W153 Y156 M167 | M26-V117 HydrophobicContact CE-CG1 3.54Å; M26-V117 HydrophobicContact SD-CG1 4.24Å; A113-V117 WeakPolarHBondContact O-CG2 3.04Å; A113-V117 PolarHBondContact O-N 3.36Å; Y114-V117 PolarHBondContact O-N 2.85Å; Y114-V117 VanDerWaalsContact O-N 3.15Å; A115-V117 PolarHBondContact O-N 2.82Å; V117-S119 VanDerWaalsContact C-N 3.33Å; V117-S119 PolarHBondContact O-N 2.86Å; V117-K120 PolarHBondContact O-N 3.03Å; V117-W153 HydrophobicContact CG1-CB 4.4Å; V117-W153 HydrophobicContact CG1-CG 3.88Å; V117-W153 PolarHBondContact O-NE1 3.27Å; V117-Y156 HydrophobicContact CB-CD2 4.44Å; V117-Y156 HydrophobicContact CG2-CD2 3.54Å; V117-Y156 HydrophobicContact CG2-CE2 4.45Å; V117-Y156 HydrophobicContact CG2-CG 3.86Å; V117-M167 HydrophobicContact CG2-CE 4.18Å |
| 118 | L | 96.3 | Very high | 95.3 | Very high | 55 Ų | 55 | 20.4 Ų | 20.4 | 29% | 0.288 | 11% | 0.112 | S | C | . | . | H | α-helix | trans | -64.2 | -37 | 173.3 | -67.6 | -170.8 | 0 | 0 | 0 | 112.2 | W25 Y114 A115 K120 A121 P122 W153 | W25-L118 HydrophobicContact CH2-CD2 4.27Å; W25-L118 HydrophobicContact CZ3-CD2 3.93Å; Y114-L118 HydrophobicContact CD1-CD1 3.95Å; Y114-L118 HydrophobicContact CD1-CG 4.49Å; Y114-L118 HydrophobicContact CE1-CD1 3.36Å; Y114-L118 HydrophobicContact CE1-CG 4.15Å; Y114-L118 HydrophobicContact CE2-CD1 4.25Å; Y114-L118 HydrophobicContact CE2-CD2 4.39Å; Y114-L118 HydrophobicContact CE2-CG 4.22Å; Y114-L118 PolarHBondContact O-N 3.2Å; Y114-L118 VanDerWaalsContact O-N 3.1Å; A115-L118 PolarHBondContact O-N 3.47Å; L118-K120 PolarHBondContact O-N 3.42Å; L118-K120 VanDerWaalsContact O-N 3.1Å; L118-A121 PolarHBondContact O-N 3.32Å; L118-A121 VanDerWaalsContact O-N 3.17Å; L118-P122 WeakPolarHBondContact O-CD 3.24Å; L118-W153 HydrophobicContact CD2-CH2 4.49Å; L118-W153 HydrophobicContact CD2-CZ2 4.05Å |
| 119 | S | 97 | Very high | 95.6 | Very high | 8 Ų | 8 | 21.9 Ų | 21.9 | 6% | 0.056 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -61.2 | -22.7 | -177.5 | 85.2 | 0 | 0 | 0 | 0 | 113.6 | F73 A115 F116 V117 A121 P122 E123 | F73-S119 VanDerWaalsContact CE1-CB 3.41Å; A115-S119 WeakPolarHBondContact O-CB 3.32Å; A115-S119 PolarHBondContact O-N 3.19Å; F116-S119 PolarHBondContact O-N 3.24Å; F116-S119 PolarHBondContact O-OG 3.25Å; V117-S119 VanDerWaalsContact C-N 3.33Å; V117-S119 PolarHBondContact O-N 2.86Å; S119-A121 PolarHBondContact O-N 3.45Å; S119-P122 VanDerWaalsContact O-CD 3.27Å; S119-P122 WeakPolarHBondContact O-CD 3.45Å; S119-E123 WeakPolarHBondContact O-CB 3.33Å; S119-E123 WeakPolarHBondContact O-CG 3.25Å; S119-E123 PolarHBondContact O-N 3.47Å; S119-E123 PolarHBondContact OG-OE1 3.25Å |
| 120 | K | 96.9 | Very high | 95.6 | Very high | 1 Ų | 1 | 23.7 Ų | 23.7 | 0% | 0.004 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -63.7 | -28.3 | 178.6 | -58.1 | -43.3 | 176.9 | -165.7 | 0 | 113.3 | V117 L118 E123 V148 L149 S152 N170 | V117-K120 PolarHBondContact O-N 3.03Å; L118-K120 PolarHBondContact O-N 3.42Å; L118-K120 VanDerWaalsContact O-N 3.1Å; K120-E123 VanDerWaalsContact CD-OE2 3.3Å; K120-E123 WeakPolarHBondContact CD-OE2 3.23Å; K120-E123 VanDerWaalsContact NZ-CD 3.34Å; K120-E123 IonicContact NZ-OE1 3.8Å; K120-E123 PolarHBondContact NZ-OE1 2.92Å; K120-E123 IonicContact NZ-OE2 3.53Å; K120-E123 PolarHBondContact NZ-OE2 3.28Å; K120-V148 HydrophobicContact CD-CG1 4.34Å; K120-L149 HydrophobicContact CB-CB 4.33Å; K120-L149 HydrophobicContact CB-CD1 3.78Å; K120-S152 WeakPolarHBondContact CG-OG 3.4Å; K120-N170 PolarHBondContact NZ-OD1 2.98Å |
| 121 | A | 95.4 | Very high | 95.7 | Very high | 26 Ų | 26 | 23.1 Ų | 23.1 | 22% | 0.215 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -74.2 | -50.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | F36 L118 S119 E123 L124 L149 | F36-A121 HydrophobicContact CD2-CB 4.43Å; L118-A121 PolarHBondContact O-N 3.32Å; L118-A121 VanDerWaalsContact O-N 3.17Å; S119-A121 PolarHBondContact O-N 3.45Å; A121-E123 VanDerWaalsContact C-N 3.31Å; A121-E123 PolarHBondContact O-N 3.17Å; A121-L124 VanDerWaalsContact O-CB 3.24Å; A121-L124 WeakPolarHBondContact O-CB 3.42Å; A121-L124 VanDerWaalsContact O-CG 3.24Å; A121-L124 WeakPolarHBondContact O-CG 3.46Å; A121-L124 PolarHBondContact O-N 3.41Å; A121-L149 HydrophobicContact CB-CD1 4.2Å |
| 122 | P | 95.3 | Very high | 95.6 | Very high | 66 Ų | 66 | 22.8 Ų | 22.8 | 43% | 0.429 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -54.4 | -41.9 | 169 | -29.8 | 36 | 0 | 0 | 0 | 113.6 | W66 L118 S119 L124 G125 | W66-P122 HydrophobicContact CH2-CB 4.14Å; W66-P122 VanDerWaalsContact CH2-O 3.27Å; W66-P122 WeakPolarHBondContact CH2-O 3.44Å; W66-P122 WeakPolarHBondContact CZ2-O 3.21Å; L118-P122 WeakPolarHBondContact O-CD 3.24Å; S119-P122 VanDerWaalsContact O-CD 3.27Å; S119-P122 WeakPolarHBondContact O-CD 3.45Å; P122-L124 PolarHBondContact O-N 3.43Å; P122-G125 WeakPolarHBondContact O-CA 3.38Å; P122-G125 PolarHBondContact O-N 3.43Å |
| 123 | E | 96.6 | Very high | 95.4 | Very high | 2 Ų | 2 | 25.4 Ų | 25.4 | 1% | 0.009 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -55.5 | -22.9 | 179.6 | -76.3 | 170.7 | -146.1 | 0 | 0 | 113.4 | L70 S119 K120 A121 G125 D126 H174 | L70-E123 HydrophobicContact CD2-CG 4.48Å; S119-E123 WeakPolarHBondContact O-CB 3.33Å; S119-E123 WeakPolarHBondContact O-CG 3.25Å; S119-E123 PolarHBondContact O-N 3.47Å; S119-E123 PolarHBondContact OG-OE1 3.25Å; K120-E123 VanDerWaalsContact CD-OE2 3.3Å; K120-E123 WeakPolarHBondContact CD-OE2 3.23Å; K120-E123 VanDerWaalsContact NZ-CD 3.34Å; K120-E123 IonicContact NZ-OE1 3.8Å; K120-E123 PolarHBondContact NZ-OE1 2.92Å; K120-E123 IonicContact NZ-OE2 3.53Å; K120-E123 PolarHBondContact NZ-OE2 3.28Å; A121-E123 VanDerWaalsContact C-N 3.31Å; A121-E123 PolarHBondContact O-N 3.17Å; E123-G125 PolarHBondContact O-N 2.87Å; E123-G125 VanDerWaalsContact O-N 3.13Å; E123-D126 WeakPolarHBondContact O-CB 3.26Å; E123-D126 PolarHBondContact O-N 3.1Å; E123-D126 VanDerWaalsContact O-N 3.07Å; E123-H174 IonicContact OE1-ND1 3.35Å; E123-H174 IonicContact OE2-CE1 3.24Å; E123-H174 PolarHBondContact OE2-CE1 3.44Å; E123-H174 IonicContact OE2-ND1 2.89Å |
| 124 | L | 94.7 | Very high | 95.2 | Very high | 21 Ų | 21 | 29.9 Ų | 29.9 | 11% | 0.11 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -23.4 | 170.4 | -58.2 | -178.8 | 0 | 0 | 0 | 113.1 | Y40 A121 P122 D126 T127 H145 L149 | Y40-L124 HydrophobicContact CD1-CD2 4.4Å; Y40-L124 HydrophobicContact CD2-CB 3.79Å; Y40-L124 HydrophobicContact CD2-CD1 4.14Å; Y40-L124 HydrophobicContact CD2-CD2 3.82Å; Y40-L124 HydrophobicContact CD2-CG 4.13Å; Y40-L124 HydrophobicContact CE2-CB 4.04Å; Y40-L124 HydrophobicContact CE2-CD2 3.92Å; Y40-L124 HydrophobicContact CG-CD1 4.23Å; Y40-L124 HydrophobicContact CG-CD2 4.04Å; A121-L124 VanDerWaalsContact O-CB 3.24Å; A121-L124 WeakPolarHBondContact O-CB 3.42Å; A121-L124 VanDerWaalsContact O-CG 3.24Å; A121-L124 WeakPolarHBondContact O-CG 3.46Å; A121-L124 PolarHBondContact O-N 3.41Å; P122-L124 PolarHBondContact O-N 3.43Å; L124-D126 PolarHBondContact O-N 3.26Å; L124-T127 WeakPolarHBondContact O-CB 3.3Å; L124-T127 PolarHBondContact O-N 2.92Å; L124-T127 VanDerWaalsContact O-N 3.16Å; L124-H145 HydrophobicContact CD2-CB 3.82Å; L124-L149 HydrophobicContact CD1-CD2 3.92Å; L124-L149 HydrophobicContact CD2-CD2 4.49Å |
| 125 | G | 93.9 | Very high | 94.9 | Very high | 9 Ų | 9 | 33 Ų | 33 | 9% | 0.093 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -58.4 | -26.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | P122 E123 T127 I128 F129 | P122-G125 WeakPolarHBondContact O-CA 3.38Å; P122-G125 PolarHBondContact O-N 3.43Å; E123-G125 PolarHBondContact O-N 2.87Å; E123-G125 VanDerWaalsContact O-N 3.13Å; G125-T127 PolarHBondContact O-N 3.48Å; G125-I128 VanDerWaalsContact O-CB 3.31Å; G125-I128 WeakPolarHBondContact O-CB 3.48Å; G125-I128 PolarHBondContact O-N 3.47Å; G125-F129 WeakPolarHBondContact O-CD2 3.46Å; G125-F129 PolarHBondContact O-N 3.29Å |
| 126 | D | 94.5 | Very high | 94.6 | Very high | 14 Ų | 14 | 41.2 Ų | 41.2 | 8% | 0.075 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -55.7 | -41.2 | 175 | -72.7 | -13 | 0 | 0 | 0 | 111.3 | W66 E123 L124 I128 F129 I130 Y178 | W66-D126 PolarHBondContact NE1-OD1 3.04Å; E123-D126 WeakPolarHBondContact O-CB 3.26Å; E123-D126 PolarHBondContact O-N 3.1Å; E123-D126 VanDerWaalsContact O-N 3.07Å; L124-D126 PolarHBondContact O-N 3.26Å; D126-I128 VanDerWaalsContact C-N 3.34Å; D126-I128 PolarHBondContact O-N 2.7Å; D126-F129 PolarHBondContact O-N 3.45Å; D126-I130 WeakPolarHBondContact O-CG1 3.15Å; D126-I130 PolarHBondContact O-N 3.15Å; D126-I130 VanDerWaalsContact O-N 3.16Å; D126-Y178 VanDerWaalsContact OD2-CE1 3.3Å; D126-Y178 WeakPolarHBondContact OD2-CE1 3.42Å; D126-Y178 PolarHBondContact OD2-OH 2.9Å |
| 127 | T | 95.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -70.7 | -31.9 | -179.7 | -46.3 | 0 | 0 | 0 | 0 | 112.4 | Y40 V44 L124 G125 F129 I130 V131 L137 H141 | Y40-T127 HydrophobicContact CE2-CG2 3.9Å; Y40-T127 WeakPolarHBondContact CE2-OG1 2.95Å; Y40-T127 WeakPolarHBondContact OH-CG2 3.25Å; Y40-T127 PolarHBondContact OH-OG1 2.88Å; V44-T127 HydrophobicContact CG2-CG2 3.67Å; L124-T127 WeakPolarHBondContact O-CB 3.3Å; L124-T127 PolarHBondContact O-N 2.92Å; L124-T127 VanDerWaalsContact O-N 3.16Å; G125-T127 PolarHBondContact O-N 3.48Å; T127-F129 VanDerWaalsContact C-N 3.32Å; T127-F129 PolarHBondContact O-N 3.18Å; T127-I130 PolarHBondContact O-N 2.87Å; T127-V131 HydrophobicContact CG2-CG2 4.3Å; T127-V131 WeakPolarHBondContact O-CG2 3.38Å; T127-V131 PolarHBondContact O-N 3.36Å; T127-L137 HydrophobicContact CG2-CD1 3.82Å; T127-L137 HydrophobicContact CG2-CD2 3.54Å; T127-L137 HydrophobicContact CG2-CG 4.36Å; T127-H141 PolarHBondContact OG1-CD2 3.16Å; T127-H141 PolarHBondContact OG1-NE2 3.42Å |
| 128 | I | 93.8 | Very high | 94.3 | Very high | 70 Ų | 70 | 44 Ų | 44 | 36% | 0.359 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -58.1 | -48.3 | 173.5 | -57.4 | 178.8 | 0 | 0 | 0 | 109.4 | F43 G125 D126 I130 V131 L132 | F43-I128 HydrophobicContact CD1-CG1 4.34Å; F43-I128 HydrophobicContact CE1-CB 4.14Å; F43-I128 HydrophobicContact CE1-CG1 3.68Å; F43-I128 HydrophobicContact CE1-CG2 4.49Å; F43-I128 HydrophobicContact CZ-CB 4.06Å; F43-I128 HydrophobicContact CZ-CG1 3.83Å; F43-I128 HydrophobicContact CZ-CG2 3.91Å; G125-I128 VanDerWaalsContact O-CB 3.31Å; G125-I128 WeakPolarHBondContact O-CB 3.48Å; G125-I128 PolarHBondContact O-N 3.47Å; D126-I128 VanDerWaalsContact C-N 3.34Å; D126-I128 PolarHBondContact O-N 2.7Å; I128-I130 VanDerWaalsContact C-N 3.33Å; I128-I130 PolarHBondContact O-N 3.34Å; I128-V131 PolarHBondContact O-N 3.09Å; I128-L132 HydrophobicContact CG2-CD1 3.68Å; I128-L132 HydrophobicContact CG2-CG 4.2Å; I128-L132 WeakPolarHBondContact O-CB 3.22Å; I128-L132 VanDerWaalsContact O-CG 3.3Å; I128-L132 WeakPolarHBondContact O-CG 3.42Å; I128-L132 PolarHBondContact O-N 2.93Å |
| 129 | F | 94.1 | Very high | 94.1 | Very high | 31 Ų | 31 | 46.5 Ų | 46.5 | 14% | 0.136 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.2 | -39.5 | 176.6 | -69.4 | -71.5 | 0 | 0 | 0 | 112.7 | L59 P62 L63 W66 G125 D126 T127 R133 | L59-F129 HydrophobicContact CB-CD1 4.05Å; L59-F129 HydrophobicContact CB-CE1 4.27Å; L59-F129 HydrophobicContact CD1-CD1 4.12Å; L59-F129 HydrophobicContact CD1-CE1 4.49Å; P62-F129 HydrophobicContact CB-CE1 3.97Å; P62-F129 HydrophobicContact CB-CZ 4.34Å; L63-F129 HydrophobicContact CB-CD1 4.17Å; L63-F129 HydrophobicContact CB-CE1 4.36Å; L63-F129 HydrophobicContact CD1-CB 4.01Å; L63-F129 HydrophobicContact CD1-CD1 4.27Å; L63-F129 HydrophobicContact CD1-CD2 4Å; L63-F129 HydrophobicContact CD1-CG 3.83Å; W66-F129 HydrophobicContact CB-CE2 3.87Å; W66-F129 HydrophobicContact CB-CZ 4.04Å; W66-F129 AromaticContact CD1-CE2 3.67Å; W66-F129 AromaticContact CD2-CE2 3.81Å; W66-F129 HydrophobicContact CD2-CE2 3.81Å; W66-F129 HydrophobicContact CE3-CE2 4.46Å; W66-F129 HydrophobicContact CG-CD2 4.32Å; W66-F129 AromaticContact CG-CE2 3.49Å; W66-F129 HydrophobicContact CG-CE2 3.49Å; W66-F129 VanDerWaalsContact CG-CE2 3.49Å; W66-F129 HydrophobicContact CG-CZ 4.13Å; G125-F129 WeakPolarHBondContact O-CD2 3.46Å; G125-F129 PolarHBondContact O-N 3.29Å; D126-F129 PolarHBondContact O-N 3.45Å; T127-F129 VanDerWaalsContact C-N 3.32Å; T127-F129 PolarHBondContact O-N 3.18Å; F129-R133 WeakPolarHBondContact O-CB 3.26Å; F129-R133 WeakPolarHBondContact O-CG 3.47Å; F129-R133 PolarHBondContact O-N 3Å |
| 130 | I | 94 | Very high | 94 | Very high | 39 Ų | 39 | 46.9 Ų | 46.9 | 20% | 0.2 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.4 | -47.5 | 178.2 | -66.2 | 170.6 | 0 | 0 | 0 | 110.6 | D126 T127 I128 K134 Q135 L137 | D126-I130 WeakPolarHBondContact O-CG1 3.15Å; D126-I130 PolarHBondContact O-N 3.15Å; D126-I130 VanDerWaalsContact O-N 3.16Å; T127-I130 PolarHBondContact O-N 2.87Å; I128-I130 VanDerWaalsContact C-N 3.33Å; I128-I130 PolarHBondContact O-N 3.34Å; I130-K134 PolarHBondContact O-N 3.17Å; I130-Q135 HydrophobicContact CB-CB 4.48Å; I130-Q135 HydrophobicContact CG2-CB 3.84Å; I130-Q135 PolarHBondContact O-N 3.39Å; I130-L137 HydrophobicContact CD1-CD1 4.25Å; I130-L137 HydrophobicContact CG2-CB 3.7Å; I130-L137 HydrophobicContact CG2-CD1 4.12Å; I130-L137 HydrophobicContact CG2-CG 4.46Å |
| 131 | V | 94.6 | Very high | 93.9 | Very high | 6 Ų | 6 | 48.7 Ų | 48.7 | 4% | 0.036 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.3 | -50 | -179.2 | 172.2 | 0 | 0 | 0 | 0 | 111.2 | F43 R48 M51 T127 I128 R133 K134 L137 | F43-V131 HydrophobicContact CE1-CB 4.29Å; F43-V131 HydrophobicContact CE1-CG2 4.29Å; F43-V131 HydrophobicContact CZ-CB 4.48Å; F43-V131 HydrophobicContact CZ-CG1 4.47Å; R48-V131 HydrophobicContact CG-CG2 4.4Å; M51-V131 HydrophobicContact CG-CG1 4.07Å; T127-V131 HydrophobicContact CG2-CG2 4.3Å; T127-V131 WeakPolarHBondContact O-CG2 3.38Å; T127-V131 PolarHBondContact O-N 3.36Å; I128-V131 PolarHBondContact O-N 3.09Å; V131-R133 VanDerWaalsContact C-N 3.29Å; V131-R133 PolarHBondContact O-N 2.86Å; V131-K134 PolarHBondContact O-N 3.05Å; V131-K134 VanDerWaalsContact O-N 3.07Å; V131-L137 HydrophobicContact CG2-CD2 4.14Å |
| 132 | L | 93.6 | Very high | 93.9 | Very high | 47 Ų | 47 | 50.1 Ų | 50.1 | 25% | 0.246 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -66.6 | -29.2 | -178.1 | -66.4 | -179.3 | 0 | 0 | 0 | 113.1 | M51 F57 L59 I128 K134 | M51-L132 WeakPolarHBondContact CE-O 3.29Å; M51-L132 HydrophobicContact CG-CD2 4.46Å; M51-L132 HydrophobicContact SD-CD2 3.98Å; F57-L132 HydrophobicContact CD2-CB 4.16Å; F57-L132 HydrophobicContact CD2-CD2 4.19Å; F57-L132 HydrophobicContact CE2-CD2 4.25Å; F57-L132 PolarHBondContact N-O 3.4Å; L59-L132 HydrophobicContact CD1-CB 3.64Å; L59-L132 HydrophobicContact CD1-CD1 3.68Å; L59-L132 HydrophobicContact CD1-CG 4.33Å; I128-L132 HydrophobicContact CG2-CD1 3.68Å; I128-L132 HydrophobicContact CG2-CG 4.2Å; I128-L132 WeakPolarHBondContact O-CB 3.22Å; I128-L132 VanDerWaalsContact O-CG 3.3Å; I128-L132 WeakPolarHBondContact O-CG 3.42Å; I128-L132 PolarHBondContact O-N 2.93Å; L132-K134 VanDerWaalsContact C-N 3.3Å |
| 133 | R | 93.6 | Very high | 94 | Very high | 72 Ų | 72 | 49.8 Ų | 49.8 | 27% | 0.272 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89 | 7.1 | 175.6 | -63 | 179.3 | 66.1 | -140.5 | -3.1 | 113.6 | L59 F129 V131 Q135 | L59-R133 HydrophobicContact CB-CG 4.31Å; F129-R133 WeakPolarHBondContact O-CB 3.26Å; F129-R133 WeakPolarHBondContact O-CG 3.47Å; F129-R133 PolarHBondContact O-N 3Å; V131-R133 VanDerWaalsContact C-N 3.29Å; V131-R133 PolarHBondContact O-N 2.86Å; R133-Q135 HydrophobicContact CB-CG 3.97Å; R133-Q135 PolarHBondContact O-N 2.77Å; R133-Q135 PolarHBondContact O-NE2 3.45Å; R133-Q135 VanDerWaalsContact O-NE2 3.13Å |
| 134 | K | 91.4 | Very high | 94 | Very high | 94 Ų | 94 | 50.6 Ų | 50.6 | 41% | 0.409 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52 | 36.7 | -176.7 | -66.9 | -171.2 | 145.1 | -177.7 | 0 | 113.6 | M51 N52 R54 K56 I130 V131 L132 | M51-K134 HydrophobicContact CE-CG 4.07Å; M51-K134 WeakPolarHBondContact O-CE 3.2Å; M51-K134 PolarHBondContact O-NZ 2.94Å; N52-K134 PolarHBondContact O-NZ 2.6Å; R54-K134 WeakPolarHBondContact O-CE 3.34Å; R54-K134 PolarHBondContact O-NZ 3.24Å; K56-K134 HydrophobicContact CB-CB 4.37Å; K56-K134 HydrophobicContact CB-CD 4.3Å; K56-K134 HydrophobicContact CB-CG 4.26Å; I130-K134 PolarHBondContact O-N 3.17Å; V131-K134 PolarHBondContact O-N 3.05Å; V131-K134 VanDerWaalsContact O-N 3.07Å; L132-K134 VanDerWaalsContact C-N 3.3Å |
| 135 | Q | 91.8 | Very high | 94.1 | Very high | 103 Ų | 103 | 50 Ų | 50 | 48% | 0.481 | 23% | 0.229 | S | C | . | . | trans | -83.1 | 154.9 | 175.7 | -62.3 | -57.5 | -59.9 | 0 | 0 | 110.6 | I130 R133 L137 | I130-Q135 HydrophobicContact CB-CB 4.48Å; I130-Q135 HydrophobicContact CG2-CB 3.84Å; I130-Q135 PolarHBondContact O-N 3.39Å; R133-Q135 HydrophobicContact CB-CG 3.97Å; R133-Q135 PolarHBondContact O-N 2.77Å; R133-Q135 PolarHBondContact O-NE2 3.45Å; R133-Q135 VanDerWaalsContact O-NE2 3.13Å; Q135-L137 PolarHBondContact O-N 3.28Å | ||
| 136 | K | 90.4 | Very high | 94.3 | Very high | 188 Ų | 188 | 50.8 Ų | 50.8 | 82% | 0.817 | 23% | 0.231 | S | C | * | . | trans | -67.6 | 104.6 | 179.2 | -175.3 | -178.9 | 179.8 | -177.9 | 0 | 109.8 | I138 | K136-I138 HydrophobicContact CD-CG2 4.45Å; K136-I138 HydrophobicContact CG-CG2 4.32Å; K136-I138 PolarHBondContact O-N 2.62Å | ||
| 137 | L | 92.8 | Very high | 94.4 | Very high | 15 Ų | 15 | 51.6 Ų | 51.6 | 8% | 0.079 | 24% | 0.236 | C | C | . | . | trans | -82.8 | 109.4 | 172.7 | 177.7 | 63.9 | 0 | 0 | 0 | 109.7 | V44 R48 T127 I130 V131 Q135 H141 | V44-L137 HydrophobicContact CB-CD2 4.49Å; V44-L137 HydrophobicContact CG1-CD2 3.63Å; V44-L137 HydrophobicContact CG2-CD2 4.18Å; R48-L137 PolarHBondContact NH2-O 3.29Å; T127-L137 HydrophobicContact CG2-CD1 3.82Å; T127-L137 HydrophobicContact CG2-CD2 3.54Å; T127-L137 HydrophobicContact CG2-CG 4.36Å; I130-L137 HydrophobicContact CD1-CD1 4.25Å; I130-L137 HydrophobicContact CG2-CB 3.7Å; I130-L137 HydrophobicContact CG2-CD1 4.12Å; I130-L137 HydrophobicContact CG2-CG 4.46Å; V131-L137 HydrophobicContact CG2-CD2 4.14Å; Q135-L137 PolarHBondContact O-N 3.28Å; L137-H141 HydrophobicContact CD1-CB 4.04Å; L137-H141 WeakPolarHBondContact CD1-CD2 3.43Å | ||
| 138 | I | 93.7 | Very high | 94.4 | Very high | 57 Ų | 57 | 52.2 Ų | 52.2 | 29% | 0.292 | 24% | 0.24 | S | C | . | . | trans | -82.9 | 156 | -178 | 60.9 | 175 | 0 | 0 | 0 | 111.8 | K136 L140 H141 W142 F249 | K136-I138 HydrophobicContact CD-CG2 4.45Å; K136-I138 HydrophobicContact CG-CG2 4.32Å; K136-I138 PolarHBondContact O-N 2.62Å; I138-L140 HydrophobicContact CD1-CB 4.09Å; I138-L140 HydrophobicContact CD1-CD2 4.38Å; I138-L140 HydrophobicContact CG1-CB 4.36Å; I138-L140 PolarHBondContact O-N 3.37Å; I138-H141 HydrophobicContact CG1-CB 3.87Å; I138-H141 PolarHBondContact O-N 2.97Å; I138-W142 VanDerWaalsContact O-CD1 3.29Å; I138-F249 HydrophobicContact CD1-CD2 4.16Å; I138-F249 HydrophobicContact CD1-CE2 4.15Å | ||
| 139 | F | 93.8 | Very high | 94.6 | Very high | 107 Ų | 107 | 48.9 Ų | 48.9 | 47% | 0.469 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -53.9 | -50.3 | 177.6 | 175 | -103.5 | 0 | 0 | 0 | 112.4 | H141 W142 Y143 L245 | F139-H141 PolarHBondContact O-N 2.87Å; F139-H141 VanDerWaalsContact O-N 3.12Å; F139-W142 AromaticContact CD2-CE2 3.71Å; F139-W142 HydrophobicContact CD2-CH2 4.09Å; F139-W142 AromaticContact CD2-CZ2 3.33Å; F139-W142 HydrophobicContact CD2-CZ2 3.33Å; F139-W142 AromaticContact CD2-NE1 3.93Å; F139-W142 AromaticContact CE2-CH2 3.73Å; F139-W142 HydrophobicContact CE2-CH2 3.73Å; F139-W142 AromaticContact CE2-CZ2 3.46Å; F139-W142 HydrophobicContact CE2-CZ2 3.46Å; F139-W142 VanDerWaalsContact CE2-CZ2 3.46Å; F139-W142 PolarHBondContact O-N 2.97Å; F139-Y143 HydrophobicContact CE1-CD1 4.43Å; F139-Y143 HydrophobicContact CE1-CD2 4.49Å; F139-Y143 HydrophobicContact CE1-CG 4.09Å; F139-Y143 AromaticContact CZ-CD2 3.92Å; F139-Y143 HydrophobicContact CZ-CD2 3.92Å; F139-Y143 AromaticContact CZ-CG 3.91Å; F139-Y143 HydrophobicContact CZ-CG 3.91Å; F139-Y143 VanDerWaalsContact O-CB 3.24Å; F139-Y143 WeakPolarHBondContact O-CB 3.18Å; F139-Y143 PolarHBondContact O-N 3.33Å; F139-L245 HydrophobicContact CD1-CD2 4.08Å; F139-L245 HydrophobicContact CE1-CD1 4.17Å; F139-L245 HydrophobicContact CE1-CD2 4.12Å |
| 140 | L | 94.4 | Very high | 94.7 | Very high | 17 Ų | 17 | 49.3 Ų | 49.3 | 9% | 0.089 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -49.1 | -42.1 | 179.5 | 169.4 | 63.2 | 0 | 0 | 0 | 112.6 | I138 H144 L245 F246 F249 | I138-L140 HydrophobicContact CD1-CB 4.09Å; I138-L140 HydrophobicContact CD1-CD2 4.38Å; I138-L140 HydrophobicContact CG1-CB 4.36Å; I138-L140 PolarHBondContact O-N 3.37Å; L140-H144 WeakPolarHBondContact O-CB 3.49Å; L140-H144 PolarHBondContact O-N 2.76Å; L140-L245 HydrophobicContact CD1-CB 3.57Å; L140-L245 HydrophobicContact CD1-CD1 4.05Å; L140-L245 HydrophobicContact CD1-CG 4.45Å; L140-L245 HydrophobicContact CG-CB 4.48Å; L140-F246 HydrophobicContact CD1-CD2 4.08Å; L140-F246 HydrophobicContact CD1-CE2 3.94Å; L140-F246 HydrophobicContact CD1-CZ 4.36Å; L140-F246 HydrophobicContact CD2-CD1 4.05Å; L140-F246 HydrophobicContact CD2-CD2 4.49Å; L140-F246 HydrophobicContact CD2-CE1 4Å; L140-F246 HydrophobicContact CD2-CE2 4.45Å; L140-F246 HydrophobicContact CD2-CG 4.29Å; L140-F246 HydrophobicContact CD2-CZ 4.21Å; L140-F249 HydrophobicContact CD2-CB 4.09Å; L140-F249 HydrophobicContact CD2-CG 4.33Å |
| 141 | H | 95.4 | Very high | 94.9 | Very high | 38 Ų | 38 | 48.7 Ų | 48.7 | 18% | 0.176 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -67.4 | -56.5 | -175.5 | -178.8 | 93.1 | 0 | 0 | 0 | 111.7 | T127 L137 I138 F139 Y143 H144 H145 | T127-H141 PolarHBondContact OG1-CD2 3.16Å; T127-H141 PolarHBondContact OG1-NE2 3.42Å; L137-H141 HydrophobicContact CD1-CB 4.04Å; L137-H141 WeakPolarHBondContact CD1-CD2 3.43Å; I138-H141 HydrophobicContact CG1-CB 3.87Å; I138-H141 PolarHBondContact O-N 2.97Å; F139-H141 PolarHBondContact O-N 2.87Å; F139-H141 VanDerWaalsContact O-N 3.12Å; H141-Y143 PolarHBondContact O-N 2.83Å; H141-H144 PolarHBondContact O-N 3.36Å; H141-H145 AromaticContact CD2-CD2 3.53Å; H141-H145 AromaticContact CE1-CD2 3.47Å; H141-H145 PolarHBondContact CE1-CD2 2.99Å; H141-H145 VanDerWaalsContact CE1-CD2 3.47Å; H141-H145 AromaticContact CE1-NE2 3.13Å; H141-H145 PolarHBondContact CE1-NE2 3.29Å; H141-H145 AromaticContact CG-CD2 3.87Å; H141-H145 AromaticContact ND1-CD2 3.82Å; H141-H145 AromaticContact ND1-NE2 3.66Å; H141-H145 AromaticContact NE2-CD2 3.34Å; H141-H145 PolarHBondContact NE2-CD2 3.45Å; H141-H145 VanDerWaalsContact NE2-CD2 3.34Å; H141-H145 AromaticContact NE2-NE2 3.44Å; H141-H145 PolarHBondContact NE2-NE2 3.42Å; H141-H145 PolarHBondContact O-CD2 2.86Å; H141-H145 PolarHBondContact O-N 3.41Å |
| 142 | W | 95.4 | Very high | 94.9 | Very high | 56 Ų | 56 | 48.6 Ų | 48.6 | 21% | 0.212 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -72.8 | -32.3 | -174.8 | 70.3 | -99.6 | 0 | 0 | 0 | 112.6 | Y40 F45 I138 F139 I146 | Y40-W142 HydrophobicContact CE1-CB 4.12Å; Y40-W142 WeakPolarHBondContact OH-CA 3.24Å; Y40-W142 WeakPolarHBondContact OH-CB 3.24Å; F45-W142 HydrophobicContact CZ-CZ2 4.48Å; I138-W142 VanDerWaalsContact O-CD1 3.29Å; F139-W142 AromaticContact CD2-CE2 3.71Å; F139-W142 HydrophobicContact CD2-CH2 4.09Å; F139-W142 AromaticContact CD2-CZ2 3.33Å; F139-W142 HydrophobicContact CD2-CZ2 3.33Å; F139-W142 AromaticContact CD2-NE1 3.93Å; F139-W142 AromaticContact CE2-CH2 3.73Å; F139-W142 HydrophobicContact CE2-CH2 3.73Å; F139-W142 AromaticContact CE2-CZ2 3.46Å; F139-W142 HydrophobicContact CE2-CZ2 3.46Å; F139-W142 VanDerWaalsContact CE2-CZ2 3.46Å; F139-W142 PolarHBondContact O-N 2.97Å; W142-I146 HydrophobicContact CE3-CD1 3.83Å; W142-I146 HydrophobicContact CZ3-CD1 4.12Å; W142-I146 WeakPolarHBondContact O-CG1 3.47Å; W142-I146 PolarHBondContact O-N 3.07Å |
| 143 | Y | 96.6 | Very high | 95.1 | Very high | 59 Ų | 59 | 46.6 Ų | 46.6 | 23% | 0.231 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.3 | -55 | 171.3 | 172.9 | -105.4 | 0 | 0 | 0 | 110.2 | F139 H141 H145 I146 T147 S241 Y242 L245 | F139-Y143 HydrophobicContact CE1-CD1 4.43Å; F139-Y143 HydrophobicContact CE1-CD2 4.49Å; F139-Y143 HydrophobicContact CE1-CG 4.09Å; F139-Y143 AromaticContact CZ-CD2 3.92Å; F139-Y143 HydrophobicContact CZ-CD2 3.92Å; F139-Y143 AromaticContact CZ-CG 3.91Å; F139-Y143 HydrophobicContact CZ-CG 3.91Å; F139-Y143 VanDerWaalsContact O-CB 3.24Å; F139-Y143 WeakPolarHBondContact O-CB 3.18Å; F139-Y143 PolarHBondContact O-N 3.33Å; H141-Y143 PolarHBondContact O-N 2.83Å; Y143-H145 PolarHBondContact O-N 3.3Å; Y143-I146 PolarHBondContact O-N 3.39Å; Y143-T147 HydrophobicContact CD2-CG2 4.21Å; Y143-T147 HydrophobicContact CE2-CG2 3.76Å; Y143-T147 PolarHBondContact O-N 3.4Å; Y143-T147 PolarHBondContact O-OG1 3.16Å; Y143-S241 PolarHBondContact OH-OG 3.43Å; Y143-Y242 HydrophobicContact CD1-CD1 4.38Å; Y143-Y242 HydrophobicContact CD1-CE1 4.02Å; Y143-Y242 AromaticContact CE1-CD1 3.96Å; Y143-Y242 HydrophobicContact CE1-CD1 3.96Å; Y143-Y242 AromaticContact CE1-CE1 3.69Å; Y143-Y242 HydrophobicContact CE1-CE1 3.69Å; Y143-L245 HydrophobicContact CD1-CD1 3.63Å; Y143-L245 HydrophobicContact CE1-CD1 3.78Å |
| 144 | H | 96.6 | Very high | 95.2 | Very high | 19 Ų | 19 | 44.8 Ų | 44.8 | 9% | 0.088 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -54.1 | -48.4 | 178.9 | 170.7 | -87.4 | 0 | 0 | 0 | 112.6 | L140 H141 I146 T147 V148 Y242 | L140-H144 WeakPolarHBondContact O-CB 3.49Å; L140-H144 PolarHBondContact O-N 2.76Å; H141-H144 PolarHBondContact O-N 3.36Å; H144-I146 VanDerWaalsContact C-N 3.33Å; H144-I146 PolarHBondContact O-N 2.97Å; H144-T147 PolarHBondContact O-N 3.22Å; H144-T147 PolarHBondContact O-OG1 2.9Å; H144-V148 WeakPolarHBondContact O-CB 3.48Å; H144-V148 VanDerWaalsContact O-CG1 3.22Å; H144-V148 WeakPolarHBondContact O-CG1 3.4Å; H144-V148 PolarHBondContact O-N 3.26Å; H144-Y242 HydrophobicContact CB-CE1 4.22Å; H144-Y242 AromaticContact CD2-CD2 3.89Å; H144-Y242 AromaticContact CD2-CE2 3.45Å; H144-Y242 VanDerWaalsContact CD2-CE2 3.45Å; H144-Y242 WeakPolarHBondContact CD2-CE2 3.42Å; H144-Y242 AromaticContact CD2-CZ 3.53Å; H144-Y242 PolarHBondContact O-OH 3.02Å |
| 145 | H | 97 | Very high | 95.3 | Very high | 9 Ų | 9 | 40.7 Ų | 40.7 | 4% | 0.042 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.8 | -37 | -178.2 | -83.9 | -67.8 | 0 | 0 | 0 | 113.3 | Y40 L124 H141 Y143 L149 | Y40-H145 HydrophobicContact CE1-CB 4.4Å; L124-H145 HydrophobicContact CD2-CB 3.82Å; H141-H145 AromaticContact CD2-CD2 3.53Å; H141-H145 AromaticContact CE1-CD2 3.47Å; H141-H145 PolarHBondContact CE1-CD2 2.99Å; H141-H145 VanDerWaalsContact CE1-CD2 3.47Å; H141-H145 AromaticContact CE1-NE2 3.13Å; H141-H145 PolarHBondContact CE1-NE2 3.29Å; H141-H145 AromaticContact CG-CD2 3.87Å; H141-H145 AromaticContact ND1-CD2 3.82Å; H141-H145 AromaticContact ND1-NE2 3.66Å; H141-H145 AromaticContact NE2-CD2 3.34Å; H141-H145 PolarHBondContact NE2-CD2 3.45Å; H141-H145 VanDerWaalsContact NE2-CD2 3.34Å; H141-H145 AromaticContact NE2-NE2 3.44Å; H141-H145 PolarHBondContact NE2-NE2 3.42Å; H141-H145 PolarHBondContact O-CD2 2.86Å; H141-H145 PolarHBondContact O-N 3.41Å; Y143-H145 PolarHBondContact O-N 3.3Å; H145-L149 VanDerWaalsContact O-CB 3.31Å; H145-L149 WeakPolarHBondContact O-CB 3.46Å; H145-L149 PolarHBondContact O-N 3.43Å |
| 146 | I | 96.9 | Very high | 95.4 | Very high | 26 Ų | 26 | 35.8 Ų | 35.8 | 13% | 0.133 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -67.7 | -53.9 | 174.2 | -70.5 | 173.8 | 0 | 0 | 0 | 110.2 | Y40 A41 W142 Y143 H144 V148 L149 L150 | Y40-I146 HydrophobicContact CD1-CD1 3.86Å; Y40-I146 HydrophobicContact CD1-CG1 3.48Å; Y40-I146 VanDerWaalsContact CD1-CG1 3.48Å; Y40-I146 HydrophobicContact CE1-CD1 4.02Å; Y40-I146 HydrophobicContact CE1-CG1 3.64Å; A41-I146 HydrophobicContact CB-CD1 4.29Å; W142-I146 HydrophobicContact CE3-CD1 3.83Å; W142-I146 HydrophobicContact CZ3-CD1 4.12Å; W142-I146 WeakPolarHBondContact O-CG1 3.47Å; W142-I146 PolarHBondContact O-N 3.07Å; Y143-I146 PolarHBondContact O-N 3.39Å; H144-I146 VanDerWaalsContact C-N 3.33Å; H144-I146 PolarHBondContact O-N 2.97Å; I146-V148 PolarHBondContact O-N 3.29Å; I146-L149 PolarHBondContact O-N 3.07Å; I146-L150 HydrophobicContact CG2-CD1 3.93Å; I146-L150 WeakPolarHBondContact O-CG 3.46Å; I146-L150 PolarHBondContact O-N 3.18Å; I146-L150 VanDerWaalsContact O-N 3.09Å |
| 147 | T | 97.1 | Very high | 95.4 | Very high | 31 Ų | 31 | 29.3 Ų | 29.3 | 19% | 0.19 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -68.8 | -36.4 | -171.5 | 43.5 | 0 | 0 | 0 | 0 | 112.4 | Y143 H144 Y151 Y242 | Y143-T147 HydrophobicContact CD2-CG2 4.21Å; Y143-T147 HydrophobicContact CE2-CG2 3.76Å; Y143-T147 PolarHBondContact O-N 3.4Å; Y143-T147 PolarHBondContact O-OG1 3.16Å; H144-T147 PolarHBondContact O-N 3.22Å; H144-T147 PolarHBondContact O-OG1 2.9Å; T147-Y151 VanDerWaalsContact O-CB 3.25Å; T147-Y151 WeakPolarHBondContact O-CB 3.3Å; T147-Y151 PolarHBondContact O-N 2.63Å; T147-Y242 WeakPolarHBondContact CB-OH 3.41Å; T147-Y242 WeakPolarHBondContact OG1-CE1 3.19Å; T147-Y242 PolarHBondContact OG1-OH 3.18Å |
| 148 | V | 96.6 | Very high | 95.3 | Very high | 13 Ų | 13 | 30 Ų | 30 | 8% | 0.079 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -69.3 | -34.5 | 176.3 | 79.4 | 0 | 0 | 0 | 0 | 112.2 | K120 H144 I146 S152 Y242 | K120-V148 HydrophobicContact CD-CG1 4.34Å; H144-V148 WeakPolarHBondContact O-CB 3.48Å; H144-V148 VanDerWaalsContact O-CG1 3.22Å; H144-V148 WeakPolarHBondContact O-CG1 3.4Å; H144-V148 PolarHBondContact O-N 3.26Å; I146-V148 PolarHBondContact O-N 3.29Å; V148-S152 WeakPolarHBondContact O-CB 3.27Å; V148-S152 PolarHBondContact O-N 2.85Å; V148-S152 PolarHBondContact O-OG 3.09Å; V148-Y242 PolarHBondContact N-OH 2.74Å |
| 149 | L | 97.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -64.9 | -50.3 | 175.2 | 175.1 | 62.6 | 0 | 0 | 0 | 110.7 | F36 K120 A121 L124 H145 I146 S152 W153 | F36-L149 HydrophobicContact CB-CD2 3.88Å; K120-L149 HydrophobicContact CB-CB 4.33Å; K120-L149 HydrophobicContact CB-CD1 3.78Å; A121-L149 HydrophobicContact CB-CD1 4.2Å; L124-L149 HydrophobicContact CD1-CD2 3.92Å; L124-L149 HydrophobicContact CD2-CD2 4.49Å; H145-L149 VanDerWaalsContact O-CB 3.31Å; H145-L149 WeakPolarHBondContact O-CB 3.46Å; H145-L149 PolarHBondContact O-N 3.43Å; I146-L149 PolarHBondContact O-N 3.07Å; L149-S152 PolarHBondContact O-OG 2.84Å; L149-W153 HydrophobicContact CD1-CG 4.48Å; L149-W153 PolarHBondContact O-N 3.14Å |
| 150 | L | 97.1 | Very high | 95.1 | Very high | 40 Ų | 40 | 24.6 Ų | 24.6 | 21% | 0.209 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -59.6 | -49.7 | 177.8 | -66 | 175 | 0 | 0 | 0 | 111.5 | F34 I146 Y154 | F34-L150 HydrophobicContact CB-CD2 4.44Å; F34-L150 HydrophobicContact CD1-CD1 4.45Å; F34-L150 HydrophobicContact CD1-CD2 3.59Å; F34-L150 HydrophobicContact CD2-CD2 4.41Å; F34-L150 HydrophobicContact CE1-CD1 4.3Å; F34-L150 HydrophobicContact CE1-CD2 3.84Å; F34-L150 HydrophobicContact CG-CD2 3.89Å; F34-L150 HydrophobicContact CZ-CD2 4.35Å; I146-L150 HydrophobicContact CG2-CD1 3.93Å; I146-L150 WeakPolarHBondContact O-CG 3.46Å; I146-L150 PolarHBondContact O-N 3.18Å; I146-L150 VanDerWaalsContact O-N 3.09Å; L150-Y154 WeakPolarHBondContact O-CB 3.47Å; L150-Y154 PolarHBondContact O-N 3.4Å |
| 151 | Y | 96.6 | Very high | 95 | Very high | 25 Ų | 25 | 23.9 Ų | 23.9 | 10% | 0.098 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -69.8 | -39.7 | -175 | 179.3 | -105 | 0 | 0 | 0 | 113 | T147 W153 Y154 S155 W234 S235 M238 | T147-Y151 VanDerWaalsContact O-CB 3.25Å; T147-Y151 WeakPolarHBondContact O-CB 3.3Å; T147-Y151 PolarHBondContact O-N 2.63Å; Y151-W153 VanDerWaalsContact C-N 3.35Å; Y151-W153 PolarHBondContact O-N 3.48Å; Y151-Y154 PolarHBondContact O-N 2.81Å; Y151-S155 WeakPolarHBondContact O-CB 3.34Å; Y151-S155 PolarHBondContact O-N 3.31Å; Y151-S155 PolarHBondContact O-OG 3.01Å; Y151-W234 HydrophobicContact CD2-CB 4.39Å; Y151-W234 HydrophobicContact CE2-CB 4.46Å; Y151-S235 VanDerWaalsContact CZ-CB 3.49Å; Y151-S235 WeakPolarHBondContact OH-CB 3.46Å; Y151-S235 PolarHBondContact OH-OG 2.87Å; Y151-S235 VanDerWaalsContact OH-OG 3.09Å; Y151-M238 HydrophobicContact CD1-CE 3.32Å; Y151-M238 HydrophobicContact CD1-SD 3.74Å; Y151-M238 HydrophobicContact CE1-CE 3.74Å; Y151-M238 HydrophobicContact CG-CE 3.98Å; Y151-M238 HydrophobicContact CG-SD 3.86Å |
| 152 | S | 96.2 | Very high | 94.9 | Very high | 5 Ų | 5 | 22.2 Ų | 22.2 | 4% | 0.035 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -64.7 | -39.2 | 178.2 | 57.1 | 0 | 0 | 0 | 0 | 112.2 | K120 V148 L149 S155 Y156 | K120-S152 WeakPolarHBondContact CG-OG 3.4Å; V148-S152 WeakPolarHBondContact O-CB 3.27Å; V148-S152 PolarHBondContact O-N 2.85Å; V148-S152 PolarHBondContact O-OG 3.09Å; L149-S152 PolarHBondContact O-OG 2.84Å; S152-S155 PolarHBondContact O-OG 3.5Å; S152-Y156 WeakPolarHBondContact O-CB 3.33Å; S152-Y156 PolarHBondContact O-N 3.25Å; S152-Y156 VanDerWaalsContact O-N 3.09Å |
| 153 | W | 96.4 | Very high | 94.9 | Very high | 5 Ų | 5 | 19.7 Ų | 19.7 | 2% | 0.019 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -70.5 | -41.5 | 178.1 | -76.3 | 44.5 | 0 | 0 | 0 | 111.8 | W25 M26 W30 K32 F36 V117 L118 L149 Y151 | W25-W153 AromaticContact CH2-CH2 3.76Å; W25-W153 HydrophobicContact CH2-CH2 3.76Å; W25-W153 HydrophobicContact CH2-CZ3 4.02Å; W25-W153 HydrophobicContact CZ3-CH2 4.03Å; W25-W153 HydrophobicContact CZ3-CZ3 4.1Å; M26-W153 HydrophobicContact CE-CB 3.89Å; M26-W153 HydrophobicContact CE-CD2 3.98Å; M26-W153 HydrophobicContact CE-CE3 4.23Å; M26-W153 HydrophobicContact CE-CG 3.87Å; W30-W153 HydrophobicContact CB-CB 4.34Å; K32-W153 HydrophobicContact CB-CZ3 4.02Å; F36-W153 HydrophobicContact CD2-CH2 4.27Å; F36-W153 AromaticContact CE2-CH2 3.75Å; F36-W153 HydrophobicContact CE2-CH2 3.75Å; F36-W153 HydrophobicContact CE2-CZ2 4.27Å; F36-W153 HydrophobicContact CE2-CZ3 4.37Å; V117-W153 HydrophobicContact CG1-CB 4.4Å; V117-W153 HydrophobicContact CG1-CG 3.88Å; V117-W153 PolarHBondContact O-NE1 3.27Å; L118-W153 HydrophobicContact CD2-CH2 4.49Å; L118-W153 HydrophobicContact CD2-CZ2 4.05Å; L149-W153 HydrophobicContact CD1-CG 4.48Å; L149-W153 PolarHBondContact O-N 3.14Å; Y151-W153 VanDerWaalsContact C-N 3.35Å; Y151-W153 PolarHBondContact O-N 3.48Å |
| 154 | Y | 95.1 | Very high | 94.8 | Very high | 34 Ų | 34 | 17 Ų | 17 | 13% | 0.133 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -63.7 | -48.2 | 175.6 | 176 | -117.1 | 0 | 0 | 0 | 112 | W30 L150 Y151 K157 N231 | W30-Y154 HydrophobicContact CE3-CD2 4.13Å; W30-Y154 HydrophobicContact CH2-CD2 4.18Å; W30-Y154 AromaticContact CZ3-CD2 3.88Å; W30-Y154 HydrophobicContact CZ3-CD2 3.88Å; L150-Y154 WeakPolarHBondContact O-CB 3.47Å; L150-Y154 PolarHBondContact O-N 3.4Å; Y151-Y154 PolarHBondContact O-N 2.81Å; Y154-K157 PolarHBondContact O-N 3.36Å; Y154-N231 VanDerWaalsContact CD1-OD1 3.26Å; Y154-N231 WeakPolarHBondContact CD1-OD1 3.47Å; Y154-N231 WeakPolarHBondContact CE1-OD1 3.38Å |
| 155 | S | 93.9 | Very high | 94.9 | Very high | 7 Ų | 7 | 18.1 Ų | 18.1 | 5% | 0.049 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -73.2 | -31.5 | -174.3 | 62.1 | 0 | 0 | 0 | 0 | 113.8 | Y151 S152 D158 M159 V160 | Y151-S155 WeakPolarHBondContact O-CB 3.34Å; Y151-S155 PolarHBondContact O-N 3.31Å; Y151-S155 PolarHBondContact O-OG 3.01Å; S152-S155 PolarHBondContact O-OG 3.5Å; S155-D158 PolarHBondContact O-N 3.3Å; S155-M159 PolarHBondContact O-N 3.2Å; S155-V160 WeakPolarHBondContact O-CG1 3.19Å; S155-V160 PolarHBondContact O-N 3.36Å |
| 156 | Y | 93.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -67.2 | -38.5 | 174.4 | -173.8 | -80.4 | 0 | 0 | 0 | 112.4 | I23 M26 Y104 A113 Y114 V117 S152 D158 M159 M167 | I23-Y156 HydrophobicContact CG1-CE1 4.14Å; M26-Y156 HydrophobicContact CB-CD1 3.68Å; M26-Y156 HydrophobicContact CB-CE1 4.05Å; M26-Y156 HydrophobicContact CE-CD1 4.47Å; M26-Y156 HydrophobicContact CG-CD1 3.46Å; M26-Y156 VanDerWaalsContact CG-CD1 3.46Å; M26-Y156 HydrophobicContact CG-CE1 3.62Å; M26-Y156 HydrophobicContact CG-CG 4.44Å; Y104-Y156 AromaticContact CD1-CD2 3.69Å; Y104-Y156 HydrophobicContact CD1-CD2 3.69Å; Y104-Y156 AromaticContact CD1-CE2 3.6Å; Y104-Y156 HydrophobicContact CD1-CE2 3.6Å; Y104-Y156 HydrophobicContact CD1-CG 4.41Å; Y104-Y156 AromaticContact CE1-CD2 3.59Å; Y104-Y156 HydrophobicContact CE1-CD2 3.59Å; Y104-Y156 AromaticContact CE1-CE2 4Å; Y104-Y156 HydrophobicContact CE1-CE2 4Å; Y104-Y156 HydrophobicContact CE1-CG 4.2Å; A113-Y156 HydrophobicContact CB-CE2 3.89Å; Y114-Y156 HydrophobicContact CD2-CE1 4.2Å; V117-Y156 HydrophobicContact CB-CD2 4.44Å; V117-Y156 HydrophobicContact CG2-CD2 3.54Å; V117-Y156 HydrophobicContact CG2-CE2 4.45Å; V117-Y156 HydrophobicContact CG2-CG 3.86Å; S152-Y156 WeakPolarHBondContact O-CB 3.33Å; S152-Y156 PolarHBondContact O-N 3.25Å; S152-Y156 VanDerWaalsContact O-N 3.09Å; Y156-D158 PolarHBondContact O-N 3.01Å; Y156-M159 PolarHBondContact O-N 3.09Å; Y156-M167 HydrophobicContact CD2-CE 4.21Å |
| 157 | K | 91.3 | Very high | 94.9 | Very high | 52 Ų | 52 | 17.4 Ų | 17.4 | 23% | 0.226 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -55.2 | -36.3 | 177.5 | 129.9 | 175.1 | 166.4 | 46.3 | 0 | 111.7 | Q27 W30 Y154 | Q27-K157 HydrophobicContact CG-CB 4.27Å; Q27-K157 HydrophobicContact CG-CG 4.2Å; W30-K157 HydrophobicContact CB-CB 4.48Å; W30-K157 HydrophobicContact CD2-CD 4.26Å; W30-K157 HydrophobicContact CG-CD 3.86Å; Y154-K157 PolarHBondContact O-N 3.36Å |
| 158 | D | 89.6 | Confident | 94.9 | Very high | 29 Ų | 29 | 16.5 Ų | 16.5 | 16% | 0.155 | 8% | 0.081 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | 2.5 | -178.2 | -65.6 | -20.7 | 0 | 0 | 0 | 112.7 | S155 Y156 V160 N231 | S155-D158 PolarHBondContact O-N 3.3Å; Y156-D158 PolarHBondContact O-N 3.01Å; D158-V160 VanDerWaalsContact C-N 3.29Å; D158-V160 HydrophobicContact CB-CG1 4.15Å; D158-V160 PolarHBondContact O-N 3.5Å; D158-N231 PolarHBondContact OD2-ND2 3.22Å |
| 159 | M | 91.7 | Very high | 94.9 | Very high | 45 Ų | 45 | 17 Ų | 17 | 22% | 0.222 | 8% | 0.083 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 45.7 | 52.2 | -177.7 | -63.1 | -179.6 | -71.1 | 0 | 0 | 112.3 | I23 Q101 Y104 S155 Y156 A161 | I23-M159 HydrophobicContact CD1-SD 3.62Å; I23-M159 HydrophobicContact CG1-SD 4.27Å; Q101-M159 WeakPolarHBondContact CG-O 3.49Å; Q101-M159 PolarHBondContact NE2-O 2.87Å; Y104-M159 HydrophobicContact CD1-CB 4.5Å; Y104-M159 HydrophobicContact CD1-CG 4.2Å; Y104-M159 HydrophobicContact CD2-CB 3.71Å; Y104-M159 HydrophobicContact CD2-CG 4.09Å; Y104-M159 VanDerWaalsContact CE2-C 3.43Å; Y104-M159 HydrophobicContact CE2-CB 3.91Å; Y104-M159 HydrophobicContact CG-CB 4.03Å; Y104-M159 HydrophobicContact CG-CG 3.88Å; S155-M159 PolarHBondContact O-N 3.2Å; Y156-M159 PolarHBondContact O-N 3.09Å; M159-A161 PolarHBondContact O-N 2.65Å |
| 160 | V | 92 | Very high | 95 | Very high | 6 Ų | 6 | 17.4 Ų | 17.4 | 4% | 0.036 | 8% | 0.084 | C | C | . | . | trans | -59.7 | 140 | -169.5 | -62.3 | 0 | 0 | 0 | 0 | 112.5 | Y104 S155 D158 G163 N231 | Y104-V160 PolarHBondContact OH-N 3.13Å; Y104-V160 PolarHBondContact OH-O 3.45Å; S155-V160 WeakPolarHBondContact O-CG1 3.19Å; S155-V160 PolarHBondContact O-N 3.36Å; D158-V160 VanDerWaalsContact C-N 3.29Å; D158-V160 HydrophobicContact CB-CG1 4.15Å; D158-V160 PolarHBondContact O-N 3.5Å; V160-G163 PolarHBondContact O-N 3.41Å; V160-G163 VanDerWaalsContact O-N 3.16Å; V160-N231 HydrophobicContact CG1-CB 3.69Å | ||
| 161 | A | 92.5 | Very high | 95 | Very high | 3 Ų | 3 | 15.6 Ų | 15.6 | 3% | 0.025 | 8% | 0.075 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | 144.2 | 165 | 0 | 0 | 0 | 0 | 0 | 110.5 | M159 G163 V216 | M159-A161 PolarHBondContact O-N 2.65Å; A161-G163 PolarHBondContact O-N 3.37Å; A161-V216 HydrophobicContact CB-CG1 4.01Å; A161-V216 HydrophobicContact CB-CG2 4.24Å |
| 162 | G | 93.6 | Very high | 95.1 | Very high | 2 Ų | 2 | 16.8 Ų | 16.8 | 2% | 0.021 | 9% | 0.087 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.8 | -11.5 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | V98 G164 W165 F166 | V98-G162 WeakPolarHBondContact O-CA 3.34Å; V98-G162 PolarHBondContact O-N 3.25Å; G162-G164 VanDerWaalsContact C-N 3.33Å; G162-G164 PolarHBondContact O-N 3.39Å; G162-W165 WeakPolarHBondContact O-CB 3.48Å; G162-W165 PolarHBondContact O-N 3.34Å; G162-W165 VanDerWaalsContact O-N 3.08Å; G162-F166 VanDerWaalsContact O-CD2 3.22Å; G162-F166 WeakPolarHBondContact O-CD2 3.21Å; G162-F166 WeakPolarHBondContact O-CG 3.49Å; G162-F166 PolarHBondContact O-N 2.99Å |
| 163 | G | 94.4 | Very high | 95.2 | Very high | 3 Ų | 3 | 17.1 Ų | 17.1 | 3% | 0.031 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -51.6 | -46.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | V160 A161 W165 F166 M167 | V160-G163 PolarHBondContact O-N 3.41Å; V160-G163 VanDerWaalsContact O-N 3.16Å; A161-G163 PolarHBondContact O-N 3.37Å; G163-W165 VanDerWaalsContact C-N 3.31Å; G163-W165 PolarHBondContact O-N 3.09Å; G163-F166 PolarHBondContact O-N 3Å; G163-M167 WeakPolarHBondContact O-CB 2.94Å; G163-M167 VanDerWaalsContact O-CG 3.27Å; G163-M167 WeakPolarHBondContact O-CG 3.26Å; G163-M167 PolarHBondContact O-N 3.1Å |
| 164 | G | 95.9 | Very high | 95.3 | Very high | 3 Ų | 3 | 17.4 Ų | 17.4 | 3% | 0.031 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -58.1 | -39.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | G162 T168 | G162-G164 VanDerWaalsContact C-N 3.33Å; G162-G164 PolarHBondContact O-N 3.39Å; G164-T168 WeakPolarHBondContact O-CB 3.3Å; G164-T168 PolarHBondContact O-N 2.99Å; G164-T168 PolarHBondContact O-OG1 2.9Å |
| 165 | W | 97.3 | Very high | 95.4 | Very high | 43 Ų | 43 | 16.3 Ų | 16.3 | 16% | 0.163 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -67.9 | -48.5 | 174.1 | -81.5 | 103.1 | 0 | 0 | 0 | 111.8 | M85 L89 L94 S97 G162 G163 M167 T168 M169 I212 | M85-W165 HydrophobicContact CE-CB 4.48Å; M85-W165 HydrophobicContact CE-CD2 3.76Å; M85-W165 HydrophobicContact CE-CG 3.65Å; M85-W165 HydrophobicContact CE-CZ2 4.28Å; M85-W165 VanDerWaalsContact CE-NE1 3.29Å; L89-W165 HydrophobicContact CD1-CZ2 4.39Å; L89-W165 HydrophobicContact CD2-CH2 4.05Å; L89-W165 HydrophobicContact CD2-CZ2 4.16Å; L94-W165 HydrophobicContact CD1-CZ2 4.31Å; S97-W165 PolarHBondContact OG-NE1 3.41Å; S97-W165 VanDerWaalsContact OG-NE1 3.14Å; G162-W165 WeakPolarHBondContact O-CB 3.48Å; G162-W165 PolarHBondContact O-N 3.34Å; G162-W165 VanDerWaalsContact O-N 3.08Å; G163-W165 VanDerWaalsContact C-N 3.31Å; G163-W165 PolarHBondContact O-N 3.09Å; W165-M167 PolarHBondContact O-N 3.29Å; W165-T168 PolarHBondContact O-N 3.43Å; W165-M169 HydrophobicContact CB-CE 4.19Å; W165-M169 HydrophobicContact CE3-CG 4.5Å; W165-M169 WeakPolarHBondContact O-CB 3.37Å; W165-M169 WeakPolarHBondContact O-CE 3.31Å; W165-M169 VanDerWaalsContact O-CG 3.26Å; W165-M169 WeakPolarHBondContact O-CG 3.37Å; W165-M169 PolarHBondContact O-N 3.19Å; W165-I212 HydrophobicContact CB-CD1 4.06Å; W165-I212 HydrophobicContact CB-CG1 4.07Å; W165-I212 HydrophobicContact CB-CG2 4.32Å; W165-I212 HydrophobicContact CD2-CD1 4.05Å; W165-I212 HydrophobicContact CG-CD1 3.73Å; W165-I212 HydrophobicContact CG-CG1 4.29Å |
| 166 | F | 96.9 | Very high | 95.6 | Very high | 13 Ų | 13 | 18.3 Ų | 18.3 | 6% | 0.057 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -58.8 | -46.1 | -179.9 | -61.4 | -42.3 | 0 | 0 | 0 | 112.2 | G162 G163 M169 N170 I212 N213 Y239 | G162-F166 VanDerWaalsContact O-CD2 3.22Å; G162-F166 WeakPolarHBondContact O-CD2 3.21Å; G162-F166 WeakPolarHBondContact O-CG 3.49Å; G162-F166 PolarHBondContact O-N 2.99Å; G163-F166 PolarHBondContact O-N 3Å; F166-M169 HydrophobicContact CD1-CE 4.29Å; F166-N170 WeakPolarHBondContact O-CB 3.28Å; F166-N170 PolarHBondContact O-N 3.3Å; F166-N170 VanDerWaalsContact O-N 3.09Å; F166-I212 HydrophobicContact CD1-CG2 4.44Å; F166-I212 HydrophobicContact CE1-CB 3.77Å; F166-I212 HydrophobicContact CE1-CG2 3.68Å; F166-I212 HydrophobicContact CE2-CG2 4.3Å; F166-I212 HydrophobicContact CZ-CB 4.07Å; F166-I212 HydrophobicContact CZ-CG2 3.58Å; F166-N213 VanDerWaalsContact CZ-OD1 3.3Å; F166-N213 WeakPolarHBondContact CZ-OD1 3.33Å; F166-Y239 WeakPolarHBondContact CB-OH 3.39Å; F166-Y239 HydrophobicContact CD1-CE1 4.49Å; F166-Y239 AromaticContact CD1-CE2 3.63Å; F166-Y239 HydrophobicContact CD1-CE2 3.63Å; F166-Y239 AromaticContact CD1-CZ 3.53Å; F166-Y239 WeakPolarHBondContact CD1-OH 3.33Å; F166-Y239 HydrophobicContact CE1-CD2 4.39Å; F166-Y239 AromaticContact CE1-CE2 3.74Å; F166-Y239 HydrophobicContact CE1-CE2 3.74Å; F166-Y239 HydrophobicContact CG-CE2 4.14Å; F166-Y239 HydrophobicContact CZ-CE2 4.35Å |
| 167 | M | 97.6 | Very high | 95.7 | Very high | 6 Ų | 6 | 18.9 Ų | 18.9 | 3% | 0.03 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -67.6 | -47.5 | 180 | -64.5 | -179.9 | -170.9 | 0 | 0 | 111.5 | F103 Y104 A113 F116 V117 Y156 G163 W165 M169 N170 Y171 | F103-M167 HydrophobicContact CD1-SD 4.38Å; F103-M167 HydrophobicContact CE1-CB 4.36Å; F103-M167 HydrophobicContact CE1-SD 3.65Å; F103-M167 HydrophobicContact CZ-CB 4.42Å; Y104-M167 HydrophobicContact CE1-CE 3.75Å; A113-M167 HydrophobicContact CB-SD 4.02Å; F116-M167 HydrophobicContact CB-SD 4.4Å; F116-M167 HydrophobicContact CD1-CB 4.32Å; F116-M167 HydrophobicContact CD1-CE 4.33Å; F116-M167 HydrophobicContact CD1-CG 3.61Å; F116-M167 HydrophobicContact CD1-SD 4.09Å; F116-M167 HydrophobicContact CD2-CB 4.22Å; F116-M167 HydrophobicContact CD2-CG 4.38Å; F116-M167 HydrophobicContact CE1-CB 4.44Å; F116-M167 HydrophobicContact CE1-CG 3.77Å; F116-M167 HydrophobicContact CE2-CB 4.32Å; F116-M167 HydrophobicContact CE2-CG 4.49Å; F116-M167 HydrophobicContact CG-CB 4.2Å; F116-M167 HydrophobicContact CG-CG 3.94Å; F116-M167 HydrophobicContact CG-SD 4.33Å; F116-M167 HydrophobicContact CZ-CB 4.43Å; F116-M167 HydrophobicContact CZ-CG 4.21Å; V117-M167 HydrophobicContact CG2-CE 4.18Å; Y156-M167 HydrophobicContact CD2-CE 4.21Å; G163-M167 WeakPolarHBondContact O-CB 2.94Å; G163-M167 VanDerWaalsContact O-CG 3.27Å; G163-M167 WeakPolarHBondContact O-CG 3.26Å; G163-M167 PolarHBondContact O-N 3.1Å; W165-M167 PolarHBondContact O-N 3.29Å; M167-M169 PolarHBondContact O-N 3.22Å; M167-N170 PolarHBondContact O-N 3.01Å; M167-Y171 WeakPolarHBondContact O-CB 3.27Å; M167-Y171 WeakPolarHBondContact O-CD2 3.46Å; M167-Y171 PolarHBondContact O-N 3.15Å |
| 168 | T | 97.4 | Very high | 96 | Very high | 12 Ų | 12 | 16.5 Ų | 16.5 | 7% | 0.074 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -64.1 | -43.1 | -178.2 | -60.7 | 0 | 0 | 0 | 0 | 112.3 | T81 M85 G164 W165 Y171 S172 | T81-T168 VanDerWaalsContact CB-OG1 3.26Å; T81-T168 WeakPolarHBondContact CB-OG1 3.49Å; T81-T168 WeakPolarHBondContact OG1-CB 3.29Å; T81-T168 PolarHBondContact OG1-OG1 3.17Å; M85-T168 HydrophobicContact CG-CG2 4.24Å; M85-T168 WeakPolarHBondContact CG-OG1 3.36Å; G164-T168 WeakPolarHBondContact O-CB 3.3Å; G164-T168 PolarHBondContact O-N 2.99Å; G164-T168 PolarHBondContact O-OG1 2.9Å; W165-T168 PolarHBondContact O-N 3.43Å; T168-Y171 PolarHBondContact O-N 3.23Å; T168-S172 WeakPolarHBondContact O-CB 3.1Å; T168-S172 PolarHBondContact O-N 3.15Å; T168-S172 PolarHBondContact O-OG 3.26Å |
| 169 | M | 97.6 | Very high | 96.4 | Very high | 25 Ų | 25 | 16.9 Ų | 16.9 | 12% | 0.123 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -64.1 | -42.8 | 175.5 | -68.6 | -173.8 | -70.3 | 0 | 0 | 111.3 | W165 F166 M167 S172 V173 Q205 M208 I212 | W165-M169 HydrophobicContact CB-CE 4.19Å; W165-M169 HydrophobicContact CE3-CG 4.5Å; W165-M169 WeakPolarHBondContact O-CB 3.37Å; W165-M169 WeakPolarHBondContact O-CE 3.31Å; W165-M169 VanDerWaalsContact O-CG 3.26Å; W165-M169 WeakPolarHBondContact O-CG 3.37Å; W165-M169 PolarHBondContact O-N 3.19Å; F166-M169 HydrophobicContact CD1-CE 4.29Å; M167-M169 PolarHBondContact O-N 3.22Å; M169-S172 PolarHBondContact O-N 3.4Å; M169-V173 WeakPolarHBondContact O-CG2 3.27Å; M169-V173 PolarHBondContact O-N 3.26Å; M169-Q205 HydrophobicContact CB-CG 4.09Å; M169-M208 HydrophobicContact CE-CB 4.14Å; M169-M208 HydrophobicContact SD-CB 3.48Å; M169-M208 WeakPolarHBondContact SD-CB 3.45Å; M169-M208 HydrophobicContact SD-CG 4.26Å; M169-I212 HydrophobicContact CE-CG1 4.33Å |
| 170 | N | 98.1 | Very high | 96.6 | Very high | 7 Ų | 7 | 16.4 Ų | 16.4 | 4% | 0.037 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -63.8 | -45.8 | 178 | -176 | -101.2 | 0 | 0 | 0 | 111.7 | F116 K120 F166 M167 S172 V173 H174 | F116-N170 HydrophobicContact CE2-CB 3.7Å; F116-N170 WeakPolarHBondContact CE2-OD1 3.31Å; F116-N170 HydrophobicContact CZ-CB 3.82Å; F116-N170 WeakPolarHBondContact CZ-OD1 3.21Å; K120-N170 PolarHBondContact NZ-OD1 2.98Å; F166-N170 WeakPolarHBondContact O-CB 3.28Å; F166-N170 PolarHBondContact O-N 3.3Å; F166-N170 VanDerWaalsContact O-N 3.09Å; M167-N170 PolarHBondContact O-N 3.01Å; N170-S172 VanDerWaalsContact C-N 3.28Å; N170-S172 PolarHBondContact O-N 3.25Å; N170-V173 PolarHBondContact O-N 3.38Å; N170-H174 PolarHBondContact ND2-CD2 3.41Å; N170-H174 PolarHBondContact ND2-NE2 3.15Å; N170-H174 VanDerWaalsContact ND2-NE2 3.16Å; N170-H174 VanDerWaalsContact O-CB 3.24Å; N170-H174 WeakPolarHBondContact O-CB 3.39Å; N170-H174 PolarHBondContact O-CD2 3.18Å; N170-H174 PolarHBondContact O-N 3Å |
| 171 | Y | 98.2 | Very high | 96.7 | Very high | 2 Ų | 2 | 20.8 Ų | 20.8 | 1% | 0.008 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -55.6 | -45 | 174.2 | -89 | -51 | 0 | 0 | 0 | 112 | F73 T81 W112 F116 M167 T168 H174 A175 | F73-Y171 HydrophobicContact CD1-CE1 4.12Å; F73-Y171 AromaticContact CE1-CE1 3.56Å; F73-Y171 HydrophobicContact CE1-CE1 3.56Å; F73-Y171 AromaticContact CZ-CE1 3.9Å; F73-Y171 HydrophobicContact CZ-CE1 3.9Å; F73-Y171 VanDerWaalsContact CZ-OH 3.26Å; F73-Y171 WeakPolarHBondContact CZ-OH 3.26Å; T81-Y171 HydrophobicContact CG2-CD2 4.25Å; T81-Y171 HydrophobicContact CG2-CE2 4.22Å; W112-Y171 PolarHBondContact O-OH 3.27Å; W112-Y171 VanDerWaalsContact O-OH 3.1Å; F116-Y171 VanDerWaalsContact CA-OH 3.27Å; F116-Y171 WeakPolarHBondContact CA-OH 3.34Å; F116-Y171 HydrophobicContact CB-CE2 3.78Å; F116-Y171 WeakPolarHBondContact CB-OH 3.47Å; F116-Y171 HydrophobicContact CD2-CD1 4.31Å; F116-Y171 AromaticContact CD2-CD2 3.88Å; F116-Y171 HydrophobicContact CD2-CD2 3.88Å; F116-Y171 HydrophobicContact CD2-CE1 4.05Å; F116-Y171 AromaticContact CD2-CE2 3.57Å; F116-Y171 HydrophobicContact CD2-CE2 3.57Å; F116-Y171 HydrophobicContact CD2-CG 4.24Å; F116-Y171 AromaticContact CD2-CZ 3.67Å; F116-Y171 HydrophobicContact CG-CE2 4.11Å; F116-Y171 PolarHBondContact N-OH 3.17Å; M167-Y171 WeakPolarHBondContact O-CB 3.27Å; M167-Y171 WeakPolarHBondContact O-CD2 3.46Å; M167-Y171 PolarHBondContact O-N 3.15Å; T168-Y171 PolarHBondContact O-N 3.23Å; Y171-H174 PolarHBondContact O-N 3.19Å; Y171-A175 VanDerWaalsContact O-CB 3.29Å; Y171-A175 WeakPolarHBondContact O-CB 3.41Å; Y171-A175 PolarHBondContact O-N 2.72Å |
| 172 | S | 98.1 | Very high | 96.9 | Very high | 50 Ų | 50 | 21 Ų | 21 | 35% | 0.35 | 11% | 0.112 | S | C | . | . | H | α-helix | trans | -62.8 | -46 | -179.4 | -58.3 | 0 | 0 | 0 | 0 | 111.9 | T168 M169 N170 V176 | T168-S172 WeakPolarHBondContact O-CB 3.1Å; T168-S172 PolarHBondContact O-N 3.15Å; T168-S172 PolarHBondContact O-OG 3.26Å; M169-S172 PolarHBondContact O-N 3.4Å; N170-S172 VanDerWaalsContact C-N 3.28Å; N170-S172 PolarHBondContact O-N 3.25Å; S172-V176 PolarHBondContact O-N 3.11Å |
| 173 | V | 97.9 | Very high | 97 | Very high | 13 Ų | 13 | 24.9 Ų | 24.9 | 8% | 0.079 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -69.5 | -41 | 177.9 | 173.3 | 0 | 0 | 0 | 0 | 111.4 | M169 N170 A175 V176 M177 Q202 Q205 | M169-V173 WeakPolarHBondContact O-CG2 3.27Å; M169-V173 PolarHBondContact O-N 3.26Å; N170-V173 PolarHBondContact O-N 3.38Å; V173-A175 VanDerWaalsContact C-N 3.34Å; V173-A175 PolarHBondContact O-N 2.85Å; V173-V176 PolarHBondContact O-N 3.37Å; V173-M177 WeakPolarHBondContact O-CB 3.43Å; V173-M177 PolarHBondContact O-N 3.48Å; V173-Q202 HydrophobicContact CG1-CG 3.5Å; V173-Q205 HydrophobicContact CG2-CB 4.1Å; V173-Q205 HydrophobicContact CG2-CG 4.46Å |
| 174 | H | 97.7 | Very high | 96.9 | Very high | 10 Ų | 10 | 30.5 Ų | 30.5 | 5% | 0.046 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -65.2 | -36 | 177.6 | -82.8 | -144.4 | 0 | 0 | 0 | 112 | E123 N170 Y171 V176 M177 Y178 | E123-H174 IonicContact OE1-ND1 3.35Å; E123-H174 IonicContact OE2-CE1 3.24Å; E123-H174 PolarHBondContact OE2-CE1 3.44Å; E123-H174 IonicContact OE2-ND1 2.89Å; N170-H174 PolarHBondContact ND2-CD2 3.41Å; N170-H174 PolarHBondContact ND2-NE2 3.15Å; N170-H174 VanDerWaalsContact ND2-NE2 3.16Å; N170-H174 VanDerWaalsContact O-CB 3.24Å; N170-H174 WeakPolarHBondContact O-CB 3.39Å; N170-H174 PolarHBondContact O-CD2 3.18Å; N170-H174 PolarHBondContact O-N 3Å; Y171-H174 PolarHBondContact O-N 3.19Å; H174-V176 VanDerWaalsContact C-N 3.33Å; H174-V176 PolarHBondContact O-N 3.48Å; H174-M177 PolarHBondContact O-N 3.49Å; H174-Y178 HydrophobicContact CB-CD2 4Å; H174-Y178 HydrophobicContact CB-CE2 4.15Å; H174-Y178 AromaticContact ND1-CE2 3.54Å; H174-Y178 WeakPolarHBondContact O-CB 3.38Å; H174-Y178 WeakPolarHBondContact O-CD2 3.16Å; H174-Y178 PolarHBondContact O-N 3.39Å |
| 175 | A | 98 | Very high | 96.7 | Very high | 11 Ų | 11 | 30.9 Ų | 30.9 | 9% | 0.091 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -56.1 | -48.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | I75 Y171 V173 S179 | I75-A175 HydrophobicContact CB-CB 4.48Å; I75-A175 HydrophobicContact CG1-CB 3.7Å; Y171-A175 VanDerWaalsContact O-CB 3.29Å; Y171-A175 WeakPolarHBondContact O-CB 3.41Å; Y171-A175 PolarHBondContact O-N 2.72Å; V173-A175 VanDerWaalsContact C-N 3.34Å; V173-A175 PolarHBondContact O-N 2.85Å; A175-S179 VanDerWaalsContact O-CB 3.23Å; A175-S179 WeakPolarHBondContact O-CB 3.39Å; A175-S179 PolarHBondContact O-N 3.04Å; A175-S179 PolarHBondContact O-OG 3.23Å |
| 176 | V | 97.4 | Very high | 96.5 | Very high | 49 Ų | 49 | 31 Ų | 31 | 30% | 0.297 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -70.5 | -44.7 | 178.5 | -175.6 | 0 | 0 | 0 | 0 | 111.3 | S172 V173 H174 Y180 F194 F197 I198 | S172-V176 PolarHBondContact O-N 3.11Å; V173-V176 PolarHBondContact O-N 3.37Å; H174-V176 VanDerWaalsContact C-N 3.33Å; H174-V176 PolarHBondContact O-N 3.48Å; V176-Y180 PolarHBondContact O-N 2.82Å; V176-F194 HydrophobicContact CG1-CE1 4.31Å; V176-F194 HydrophobicContact CG1-CZ 3.97Å; V176-F197 HydrophobicContact CG1-CE1 4.49Å; V176-I198 HydrophobicContact CG1-CG1 3.97Å |
| 177 | M | 97.3 | Very high | 96.2 | Very high | 13 Ų | 13 | 32.3 Ų | 32.3 | 6% | 0.064 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63.5 | -48.8 | -177.9 | -176.2 | -171.5 | 71.7 | 0 | 0 | 112.5 | V173 H174 Y180 Y181 I198 Q202 | V173-M177 WeakPolarHBondContact O-CB 3.43Å; V173-M177 PolarHBondContact O-N 3.48Å; H174-M177 PolarHBondContact O-N 3.49Å; M177-Y180 WeakPolarHBondContact O-CB 3.22Å; M177-Y180 PolarHBondContact O-N 2.78Å; M177-Y181 HydrophobicContact CE-CE2 4Å; M177-Y181 HydrophobicContact CG-CD2 4.17Å; M177-Y181 HydrophobicContact CG-CE1 4.38Å; M177-Y181 HydrophobicContact CG-CE2 3.56Å; M177-Y181 PolarHBondContact O-N 3.34Å; M177-Y181 HydrophobicContact SD-CE2 3.81Å; M177-I198 HydrophobicContact CB-CG2 4.12Å; M177-I198 HydrophobicContact CG-CG2 4.22Å; M177-Q202 PolarHBondContact SD-NE2 3.15Å |
| 178 | Y | 97.6 | Very high | 96 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 0% | 0.004 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -71.6 | -33.7 | -179.9 | -77.8 | -62.4 | 0 | 0 | 0 | 112.3 | L70 D126 H174 Y180 Y181 A182 | L70-Y178 HydrophobicContact CB-CD1 3.85Å; L70-Y178 HydrophobicContact CB-CD2 3.75Å; L70-Y178 HydrophobicContact CB-CE1 4.09Å; L70-Y178 HydrophobicContact CB-CE2 3.96Å; L70-Y178 HydrophobicContact CB-CG 3.7Å; L70-Y178 HydrophobicContact CD1-CD1 4.03Å; L70-Y178 HydrophobicContact CD1-CE1 3.45Å; L70-Y178 VanDerWaalsContact CD1-CE1 3.45Å; L70-Y178 HydrophobicContact CD1-CE2 4.1Å; L70-Y178 HydrophobicContact CG-CE1 4.43Å; D126-Y178 VanDerWaalsContact OD2-CE1 3.3Å; D126-Y178 WeakPolarHBondContact OD2-CE1 3.42Å; D126-Y178 PolarHBondContact OD2-OH 2.9Å; H174-Y178 HydrophobicContact CB-CD2 4Å; H174-Y178 HydrophobicContact CB-CE2 4.15Å; H174-Y178 AromaticContact ND1-CE2 3.54Å; H174-Y178 WeakPolarHBondContact O-CB 3.38Å; H174-Y178 WeakPolarHBondContact O-CD2 3.16Å; H174-Y178 PolarHBondContact O-N 3.39Å; Y178-Y180 VanDerWaalsContact C-N 3.28Å; Y178-Y180 PolarHBondContact O-N 2.9Å; Y178-Y181 HydrophobicContact CD1-CD2 4.01Å; Y178-Y181 HydrophobicContact CE1-CD2 4.29Å; Y178-Y181 PolarHBondContact O-N 3.41Å; Y178-A182 WeakPolarHBondContact O-CB 3.36Å; Y178-A182 PolarHBondContact O-N 3.41Å |
| 179 | S | 96.9 | Very high | 95.5 | Very high | 38 Ų | 38 | 49.3 Ų | 49.3 | 27% | 0.266 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -58.4 | -43.6 | 170.4 | -63.7 | 0 | 0 | 0 | 0 | 110.9 | A175 A182 L183 | A175-S179 VanDerWaalsContact O-CB 3.23Å; A175-S179 WeakPolarHBondContact O-CB 3.39Å; A175-S179 PolarHBondContact O-N 3.04Å; A175-S179 PolarHBondContact O-OG 3.23Å; S179-A182 PolarHBondContact O-N 3.35Å; S179-L183 VanDerWaalsContact O-CG 3.31Å; S179-L183 WeakPolarHBondContact O-CG 3.26Å; S179-L183 PolarHBondContact O-N 3.09Å |
| 180 | Y | 96.3 | Very high | 95.1 | Very high | 34 Ų | 34 | 49.6 Ų | 49.6 | 13% | 0.133 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.3 | -45.4 | 173.4 | 172.2 | -101.8 | 0 | 0 | 0 | 112.7 | V176 M177 Y178 L183 R184 V190 F194 A195 I198 | V176-Y180 PolarHBondContact O-N 2.82Å; M177-Y180 WeakPolarHBondContact O-CB 3.22Å; M177-Y180 PolarHBondContact O-N 2.78Å; Y178-Y180 VanDerWaalsContact C-N 3.28Å; Y178-Y180 PolarHBondContact O-N 2.9Å; Y180-L183 PolarHBondContact O-N 3.46Å; Y180-R184 HydrophobicContact CD1-CG 4.27Å; Y180-R184 HydrophobicContact CD2-CG 4.1Å; Y180-R184 HydrophobicContact CE1-CG 3.87Å; Y180-R184 HydrophobicContact CE2-CG 3.72Å; Y180-R184 HydrophobicContact CG-CG 4.37Å; Y180-R184 WeakPolarHBondContact O-CB 3.48Å; Y180-R184 VanDerWaalsContact O-CG 3.24Å; Y180-R184 WeakPolarHBondContact O-CG 3.45Å; Y180-R184 PolarHBondContact O-N 2.87Å; Y180-V190 HydrophobicContact CD2-CB 4.01Å; Y180-V190 HydrophobicContact CD2-CG1 3.7Å; Y180-V190 HydrophobicContact CD2-CG2 4.25Å; Y180-V190 HydrophobicContact CE2-CB 3.64Å; Y180-V190 HydrophobicContact CE2-CG1 3.59Å; Y180-V190 HydrophobicContact CE2-CG2 4.27Å; Y180-F194 AromaticContact CD2-CD1 3.59Å; Y180-F194 HydrophobicContact CD2-CD1 3.59Å; Y180-F194 HydrophobicContact CD2-CE1 4.04Å; Y180-F194 HydrophobicContact CE2-CD1 4.24Å; Y180-F194 HydrophobicContact CG-CD1 4.34Å; Y180-F194 HydrophobicContact CG-CE1 4.45Å; Y180-A195 HydrophobicContact CE2-CB 4.38Å; Y180-I198 HydrophobicContact CD1-CD1 3.77Å; Y180-I198 HydrophobicContact CD2-CD1 3.87Å; Y180-I198 HydrophobicContact CG-CD1 3.4Å; Y180-I198 VanDerWaalsContact CG-CD1 3.4Å |
| 181 | Y | 94.3 | Very high | 94.6 | Very high | 99 Ų | 99 | 52.6 Ų | 52.6 | 39% | 0.388 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -64.3 | -40.3 | 178.1 | -66.6 | -20.5 | 0 | 0 | 0 | 112.7 | M177 Y178 R184 A185 | M177-Y181 HydrophobicContact CE-CE2 4Å; M177-Y181 HydrophobicContact CG-CD2 4.17Å; M177-Y181 HydrophobicContact CG-CE1 4.38Å; M177-Y181 HydrophobicContact CG-CE2 3.56Å; M177-Y181 PolarHBondContact O-N 3.34Å; M177-Y181 HydrophobicContact SD-CE2 3.81Å; Y178-Y181 HydrophobicContact CD1-CD2 4.01Å; Y178-Y181 HydrophobicContact CE1-CD2 4.29Å; Y178-Y181 PolarHBondContact O-N 3.41Å; Y181-R184 PolarHBondContact O-N 2.97Å; Y181-A185 VanDerWaalsContact O-CB 3.22Å; Y181-A185 WeakPolarHBondContact O-CB 3.44Å; Y181-A185 PolarHBondContact O-N 2.69Å |
| 182 | A | 95.8 | Very high | 94.1 | Very high | 8 Ų | 8 | 58.5 Ų | 58.5 | 7% | 0.066 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.4 | -48.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | L68 Y178 S179 R184 A185 A186 | L68-A182 HydrophobicContact CB-CB 4.27Å; Y178-A182 WeakPolarHBondContact O-CB 3.36Å; Y178-A182 PolarHBondContact O-N 3.41Å; S179-A182 PolarHBondContact O-N 3.35Å; A182-R184 PolarHBondContact O-N 3.46Å; A182-A185 PolarHBondContact O-N 2.85Å; A182-A186 WeakPolarHBondContact O-CB 3.38Å; A182-A186 PolarHBondContact O-N 3.21Å |
| 183 | L | 95.4 | Very high | 93.7 | Very high | 82 Ų | 82 | 64.4 Ų | 64.4 | 43% | 0.429 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.8 | -44.9 | 177.2 | -70.8 | 173.2 | 0 | 0 | 0 | 112.2 | S179 Y180 A186 G187 F188 V190 | S179-L183 VanDerWaalsContact O-CG 3.31Å; S179-L183 WeakPolarHBondContact O-CG 3.26Å; S179-L183 PolarHBondContact O-N 3.09Å; Y180-L183 PolarHBondContact O-N 3.46Å; L183-A186 PolarHBondContact O-N 3.42Å; L183-G187 PolarHBondContact O-N 2.99Å; L183-F188 HydrophobicContact CB-CB 4.48Å; L183-F188 HydrophobicContact CD2-CD2 4.01Å; L183-F188 HydrophobicContact CD2-CE2 4.48Å; L183-F188 PolarHBondContact O-N 3.43Å; L183-V190 HydrophobicContact CB-CG2 4.05Å |
| 184 | R | 92.9 | Very high | 93.5 | Very high | 122 Ų | 122 | 67.8 Ų | 67.8 | 46% | 0.46 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -63.8 | -41.1 | 177.3 | -73.4 | -68 | -60.7 | -173.7 | 2.1 | 111.9 | Y180 Y181 A182 A186 G187 V190 | Y180-R184 HydrophobicContact CD1-CG 4.27Å; Y180-R184 HydrophobicContact CD2-CG 4.1Å; Y180-R184 HydrophobicContact CE1-CG 3.87Å; Y180-R184 HydrophobicContact CE2-CG 3.72Å; Y180-R184 HydrophobicContact CG-CG 4.37Å; Y180-R184 WeakPolarHBondContact O-CB 3.48Å; Y180-R184 VanDerWaalsContact O-CG 3.24Å; Y180-R184 WeakPolarHBondContact O-CG 3.45Å; Y180-R184 PolarHBondContact O-N 2.87Å; Y181-R184 PolarHBondContact O-N 2.97Å; A182-R184 PolarHBondContact O-N 3.46Å; R184-A186 VanDerWaalsContact C-N 3.34Å; R184-G187 PolarHBondContact O-N 3.27Å; R184-V190 HydrophobicContact CG-CB 4.48Å; R184-V190 HydrophobicContact CG-CG2 4.18Å |
| 185 | A | 92.3 | Very high | 93.1 | Very high | 11 Ų | 11 | 68 Ų | 68 | 9% | 0.091 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -68.6 | -33.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | R60 L63 V64 Y181 A182 G187 | R60-A185 WeakPolarHBondContact CG-O 3.32Å; R60-A185 PolarHBondContact NE-O 3.4Å; L63-A185 HydrophobicContact CD2-CB 4.08Å; L63-A185 HydrophobicContact CG-CB 4Å; V64-A185 HydrophobicContact CB-CB 4.43Å; V64-A185 HydrophobicContact CG2-CB 3.48Å; V64-A185 VanDerWaalsContact CG2-CB 3.48Å; V64-A185 WeakPolarHBondContact CG2-O 3.36Å; Y181-A185 VanDerWaalsContact O-CB 3.22Å; Y181-A185 WeakPolarHBondContact O-CB 3.44Å; Y181-A185 PolarHBondContact O-N 2.69Å; A182-A185 PolarHBondContact O-N 2.85Å; A185-G187 PolarHBondContact O-N 3.4Å |
| 186 | A | 93.3 | Very high | 92.9 | Very high | 46 Ų | 46 | 70.1 Ų | 70.1 | 38% | 0.38 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -69.1 | -22.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | R60 V64 A182 L183 R184 F188 | R60-A186 VanDerWaalsContact NH2-C 3.35Å; R60-A186 PolarHBondContact NH2-O 3.23Å; V64-A186 HydrophobicContact CG1-CB 4.41Å; V64-A186 HydrophobicContact CG2-CB 4.19Å; V64-A186 VanDerWaalsContact CG2-N 3.32Å; A182-A186 WeakPolarHBondContact O-CB 3.38Å; A182-A186 PolarHBondContact O-N 3.21Å; L183-A186 PolarHBondContact O-N 3.42Å; R184-A186 VanDerWaalsContact C-N 3.34Å; A186-F188 HydrophobicContact CB-CD2 3.84Å; A186-F188 HydrophobicContact CB-CE2 3.91Å |
| 187 | G | 90.9 | Very high | 92.8 | Very high | 39 Ų | 39 | 73.3 Ų | 73.3 | 40% | 0.402 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 114 | 2.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | L183 R184 A185 R189 | L183-G187 PolarHBondContact O-N 2.99Å; R184-G187 PolarHBondContact O-N 3.27Å; A185-G187 PolarHBondContact O-N 3.4Å; G187-R189 PolarHBondContact O-N 3.24Å |
| 188 | F | 91.8 | Very high | 92.8 | Very high | 131 Ų | 131 | 73 Ų | 73 | 58% | 0.575 | 35% | 0.349 | S | S | * | . | trans | -69.3 | 132.7 | 177.2 | -65.4 | -80.9 | 0 | 0 | 0 | 110.1 | L183 A186 V190 | L183-F188 HydrophobicContact CB-CB 4.48Å; L183-F188 HydrophobicContact CD2-CD2 4.01Å; L183-F188 HydrophobicContact CD2-CE2 4.48Å; L183-F188 PolarHBondContact O-N 3.43Å; A186-F188 HydrophobicContact CB-CD2 3.84Å; A186-F188 HydrophobicContact CB-CE2 3.91Å; F188-V190 PolarHBondContact O-N 3.42Å | ||
| 189 | R | 87.2 | Confident | 92.6 | Very high | 244 Ų | 244 | 73.2 Ų | 73.2 | 92% | 0.921 | 35% | 0.351 | S | S | * | . | trans | -78.9 | 89.1 | 174.4 | -69.1 | -175.7 | -178.9 | 179.6 | 1.1 | 109.3 | G187 | G187-R189 PolarHBondContact O-N 3.24Š| ||
| 190 | V | 89.2 | Confident | 92.6 | Very high | 32 Ų | 32 | 75 Ų | 75 | 19% | 0.194 | 36% | 0.357 | C | S | . | . | trans | -80.5 | 138.8 | 173.7 | -169 | 0 | 0 | 0 | 0 | 110.6 | Y180 L183 R184 F188 F194 | Y180-V190 HydrophobicContact CD2-CB 4.01Å; Y180-V190 HydrophobicContact CD2-CG1 3.7Å; Y180-V190 HydrophobicContact CD2-CG2 4.25Å; Y180-V190 HydrophobicContact CE2-CB 3.64Å; Y180-V190 HydrophobicContact CE2-CG1 3.59Å; Y180-V190 HydrophobicContact CE2-CG2 4.27Å; L183-V190 HydrophobicContact CB-CG2 4.05Å; R184-V190 HydrophobicContact CG-CB 4.48Å; R184-V190 HydrophobicContact CG-CG2 4.18Å; F188-V190 PolarHBondContact O-N 3.42Å; V190-F194 HydrophobicContact CG1-CB 3.88Å; V190-F194 HydrophobicContact CG1-CD1 3.86Å; V190-F194 HydrophobicContact CG1-CG 4.07Å | ||
| 191 | S | 88.7 | Confident | 92.7 | Very high | 69 Ų | 69 | 74.7 Ų | 74.7 | 48% | 0.483 | 36% | 0.359 | S | S | . | . | trans | -62.6 | 145.2 | -177.9 | 178.2 | 0 | 0 | 0 | 0 | 113.1 | K193 F194 A195 | S191-K193 PolarHBondContact O-N 3.42Å; S191-K193 PolarHBondContact OG-N 3.48Å; S191-F194 WeakPolarHBondContact O-CB 3.47Å; S191-F194 PolarHBondContact O-N 3.5Å; S191-F194 VanDerWaalsContact O-N 3.07Å; S191-A195 PolarHBondContact O-N 3.04Å | ||
| 192 | R | 87.2 | Confident | 92.8 | Very high | 126 Ų | 126 | 70.9 Ų | 70.9 | 48% | 0.475 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -59.4 | -30.7 | 173.4 | -173 | 177.9 | -177.8 | -167.4 | -1.9 | 112.4 | F194 A195 M196 A253 Y254 | R192-F194 VanDerWaalsContact C-N 3.25Å; R192-F194 PolarHBondContact O-N 3.41Å; R192-A195 PolarHBondContact O-N 3.44Å; R192-M196 PolarHBondContact O-N 3.33Å; R192-A253 PolarHBondContact NH2-O 3.38Å; R192-Y254 HydrophobicContact CG-CE1 4.29Å |
| 193 | K | 89.8 | Confident | 92.9 | Very high | 174 Ų | 174 | 71.4 Ų | 71.4 | 76% | 0.757 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -61.4 | -36.3 | 176.2 | -64.7 | -174.5 | 179.9 | -178.2 | 0 | 111.5 | S191 M196 F197 | S191-K193 PolarHBondContact O-N 3.42Å; S191-K193 PolarHBondContact OG-N 3.48Å; K193-M196 WeakPolarHBondContact O-CB 3.41Å; K193-M196 PolarHBondContact O-N 3.36Å; K193-F197 PolarHBondContact O-N 2.99Å |
| 194 | F | 92.6 | Very high | 93 | Very high | 84 Ų | 84 | 71.2 Ų | 71.2 | 37% | 0.368 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -71.4 | -40.6 | 177.8 | -163.8 | -99.2 | 0 | 0 | 0 | 111.9 | V176 Y180 V190 S191 R192 M196 F197 I198 | V176-F194 HydrophobicContact CG1-CE1 4.31Å; V176-F194 HydrophobicContact CG1-CZ 3.97Å; Y180-F194 AromaticContact CD2-CD1 3.59Å; Y180-F194 HydrophobicContact CD2-CD1 3.59Å; Y180-F194 HydrophobicContact CD2-CE1 4.04Å; Y180-F194 HydrophobicContact CE2-CD1 4.24Å; Y180-F194 HydrophobicContact CG-CD1 4.34Å; Y180-F194 HydrophobicContact CG-CE1 4.45Å; V190-F194 HydrophobicContact CG1-CB 3.88Å; V190-F194 HydrophobicContact CG1-CD1 3.86Å; V190-F194 HydrophobicContact CG1-CG 4.07Å; S191-F194 WeakPolarHBondContact O-CB 3.47Å; S191-F194 PolarHBondContact O-N 3.5Å; S191-F194 VanDerWaalsContact O-N 3.07Å; R192-F194 VanDerWaalsContact C-N 3.25Å; R192-F194 PolarHBondContact O-N 3.41Å; F194-M196 VanDerWaalsContact C-N 3.27Å; F194-M196 PolarHBondContact O-N 3.31Å; F194-F197 WeakPolarHBondContact O-CB 3.48Å; F194-F197 PolarHBondContact O-N 3.41Å; F194-I198 HydrophobicContact CD1-CD1 3.77Å; F194-I198 HydrophobicContact CD1-CG1 4.34Å; F194-I198 HydrophobicContact CE1-CD1 3.75Å; F194-I198 HydrophobicContact CE1-CG1 4.24Å; F194-I198 WeakPolarHBondContact O-CG1 3.45Å; F194-I198 PolarHBondContact O-N 2.77Å |
| 195 | A | 91.2 | Very high | 93.2 | Very high | 15 Ų | 15 | 66 Ų | 66 | 12% | 0.124 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -59.8 | -39.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y180 S191 R192 I198 T199 Y254 | Y180-A195 HydrophobicContact CE2-CB 4.38Å; S191-A195 PolarHBondContact O-N 3.04Å; R192-A195 PolarHBondContact O-N 3.44Å; A195-I198 PolarHBondContact O-N 2.94Å; A195-T199 PolarHBondContact O-N 3.15Å; A195-T199 VanDerWaalsContact O-N 3.09Å; A195-T199 PolarHBondContact O-OG1 3.01Å; A195-T199 VanDerWaalsContact O-OG1 3.1Å; A195-Y254 PolarHBondContact O-OH 3.24Å; A195-Y254 VanDerWaalsContact O-OH 3.09Å |
| 196 | M | 93.4 | Very high | 93.4 | Very high | 55 Ų | 55 | 65.6 Ų | 65.6 | 27% | 0.271 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -64 | -44.5 | 174.9 | -173.5 | -173.7 | -71.7 | 0 | 0 | 111.8 | R192 K193 F194 I198 T199 L200 F250 Y254 | R192-M196 PolarHBondContact O-N 3.33Å; K193-M196 WeakPolarHBondContact O-CB 3.41Å; K193-M196 PolarHBondContact O-N 3.36Å; F194-M196 VanDerWaalsContact C-N 3.27Å; F194-M196 PolarHBondContact O-N 3.31Å; M196-I198 VanDerWaalsContact C-N 3.31Å; M196-I198 PolarHBondContact O-N 3.37Å; M196-T199 PolarHBondContact O-N 2.72Å; M196-L200 HydrophobicContact CG-CD1 4.27Å; M196-L200 WeakPolarHBondContact O-CG 3.4Å; M196-L200 PolarHBondContact O-N 2.86Å; M196-F250 HydrophobicContact CG-CE2 3.66Å; M196-F250 HydrophobicContact CG-CZ 4.07Å; M196-F250 HydrophobicContact SD-CZ 4.43Å; M196-Y254 HydrophobicContact CB-CD1 4.14Å; M196-Y254 HydrophobicContact CB-CE1 3.81Å; M196-Y254 HydrophobicContact CE-CD1 3.6Å; M196-Y254 HydrophobicContact CE-CE1 4.38Å; M196-Y254 HydrophobicContact CE-CG 3.92Å; M196-Y254 HydrophobicContact CG-CD1 4.25Å; M196-Y254 HydrophobicContact CG-CE1 4.35Å; M196-Y254 HydrophobicContact CG-CG 4.36Å; M196-Y254 PolarHBondContact N-OH 3.44Å |
| 197 | F | 95.4 | Very high | 93.6 | Very high | 116 Ų | 116 | 67.4 Ų | 67.4 | 51% | 0.509 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -57 | -43.4 | 174.5 | 173.3 | -99.7 | 0 | 0 | 0 | 112 | V176 K193 F194 T199 L200 S201 | V176-F197 HydrophobicContact CG1-CE1 4.49Å; K193-F197 PolarHBondContact O-N 2.99Å; F194-F197 WeakPolarHBondContact O-CB 3.48Å; F194-F197 PolarHBondContact O-N 3.41Å; F197-T199 PolarHBondContact O-N 3.04Å; F197-L200 PolarHBondContact O-N 2.91Å; F197-S201 PolarHBondContact O-N 2.86Å |
| 198 | I | 95.8 | Very high | 93.9 | Very high | 6 Ų | 6 | 69.1 Ų | 69.1 | 3% | 0.031 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -60.3 | -48.9 | 175.8 | -66.2 | 164.8 | 0 | 0 | 0 | 110.5 | V176 M177 Y180 F194 A195 M196 L200 S201 Q202 | V176-I198 HydrophobicContact CG1-CG1 3.97Å; M177-I198 HydrophobicContact CB-CG2 4.12Å; M177-I198 HydrophobicContact CG-CG2 4.22Å; Y180-I198 HydrophobicContact CD1-CD1 3.77Å; Y180-I198 HydrophobicContact CD2-CD1 3.87Å; Y180-I198 HydrophobicContact CG-CD1 3.4Å; Y180-I198 VanDerWaalsContact CG-CD1 3.4Å; F194-I198 HydrophobicContact CD1-CD1 3.77Å; F194-I198 HydrophobicContact CD1-CG1 4.34Å; F194-I198 HydrophobicContact CE1-CD1 3.75Å; F194-I198 HydrophobicContact CE1-CG1 4.24Å; F194-I198 WeakPolarHBondContact O-CG1 3.45Å; F194-I198 PolarHBondContact O-N 2.77Å; A195-I198 PolarHBondContact O-N 2.94Å; M196-I198 VanDerWaalsContact C-N 3.31Å; M196-I198 PolarHBondContact O-N 3.37Å; I198-L200 VanDerWaalsContact C-N 3.29Å; I198-L200 PolarHBondContact O-N 3.27Å; I198-S201 PolarHBondContact O-N 3.12Å; I198-S201 VanDerWaalsContact O-N 3.13Å; I198-S201 PolarHBondContact O-OG 3.37Å; I198-Q202 WeakPolarHBondContact O-CG 3.42Å; I198-Q202 PolarHBondContact O-N 2.95Å |
| 199 | T | 95.2 | Very high | 94.2 | Very high | 7 Ų | 7 | 62.9 Ų | 62.9 | 4% | 0.043 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62 | -37.7 | 179.1 | -48.5 | 0 | 0 | 0 | 0 | 111.9 | A195 M196 F197 Q202 I203 F249 F250 Y254 | A195-T199 PolarHBondContact O-N 3.15Å; A195-T199 VanDerWaalsContact O-N 3.09Å; A195-T199 PolarHBondContact O-OG1 3.01Å; A195-T199 VanDerWaalsContact O-OG1 3.1Å; M196-T199 PolarHBondContact O-N 2.72Å; F197-T199 PolarHBondContact O-N 3.04Å; T199-Q202 PolarHBondContact O-N 3.28Å; T199-I203 WeakPolarHBondContact O-CG1 3.17Å; T199-I203 PolarHBondContact O-N 3.31Å; T199-F249 HydrophobicContact CG2-CD1 3.82Å; T199-F249 HydrophobicContact CG2-CE1 3.98Å; T199-F250 HydrophobicContact CG2-CB 4.19Å; T199-F250 HydrophobicContact CG2-CD2 3.84Å; T199-Y254 HydrophobicContact CG2-CE2 4.2Å; T199-Y254 PolarHBondContact OG1-OH 2.97Å |
| 200 | L | 96.2 | Very high | 94.6 | Very high | 75 Ų | 75 | 53 Ų | 53 | 39% | 0.393 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -64.4 | -43.3 | 173.8 | -71.5 | 170.7 | 0 | 0 | 0 | 111.5 | M196 F197 I198 Q202 I203 T204 F250 | M196-L200 HydrophobicContact CG-CD1 4.27Å; M196-L200 WeakPolarHBondContact O-CG 3.4Å; M196-L200 PolarHBondContact O-N 2.86Å; F197-L200 PolarHBondContact O-N 2.91Å; I198-L200 VanDerWaalsContact C-N 3.29Å; I198-L200 PolarHBondContact O-N 3.27Å; L200-Q202 VanDerWaalsContact C-N 3.27Å; L200-Q202 PolarHBondContact O-N 2.89Å; L200-I203 PolarHBondContact O-N 3.08Å; L200-I203 VanDerWaalsContact O-N 3.13Å; L200-T204 PolarHBondContact O-N 3.18Å; L200-T204 PolarHBondContact O-OG1 3.44Å; L200-F250 HydrophobicContact CD1-CE2 4.43Å; L200-F250 HydrophobicContact CD2-CD2 4.24Å; L200-F250 HydrophobicContact CD2-CE2 3.6Å; L200-F250 HydrophobicContact CD2-CZ 3.79Å; L200-F250 HydrophobicContact CG-CE2 3.75Å; L200-F250 HydrophobicContact CG-CZ 4.25Å |
| 201 | S | 97.3 | Very high | 95 | Very high | 27 Ų | 27 | 54.9 Ų | 54.9 | 19% | 0.189 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.9 | -36.6 | 176.8 | 75.7 | 0 | 0 | 0 | 0 | 112.4 | F197 I198 T204 Q205 | F197-S201 PolarHBondContact O-N 2.86Å; I198-S201 PolarHBondContact O-N 3.12Å; I198-S201 VanDerWaalsContact O-N 3.13Å; I198-S201 PolarHBondContact O-OG 3.37Å; S201-T204 PolarHBondContact O-N 3.4Å; S201-Q205 WeakPolarHBondContact O-CB 3.3Å; S201-Q205 PolarHBondContact O-N 3.31Å |
| 202 | Q | 97.4 | Very high | 95.4 | Very high | 19 Ų | 19 | 51.8 Ų | 51.8 | 9% | 0.089 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.5 | -42.9 | 173.5 | -71.3 | 171.6 | -39 | 0 | 0 | 111.9 | V173 M177 I198 T199 L200 Q205 M206 F246 | V173-Q202 HydrophobicContact CG1-CG 3.5Å; M177-Q202 PolarHBondContact SD-NE2 3.15Å; I198-Q202 WeakPolarHBondContact O-CG 3.42Å; I198-Q202 PolarHBondContact O-N 2.95Å; T199-Q202 PolarHBondContact O-N 3.28Å; L200-Q202 VanDerWaalsContact C-N 3.27Å; L200-Q202 PolarHBondContact O-N 2.89Å; Q202-Q205 WeakPolarHBondContact O-CB 3.48Å; Q202-Q205 PolarHBondContact O-N 2.91Å; Q202-M206 WeakPolarHBondContact O-CG 3.38Å; Q202-M206 PolarHBondContact O-N 3.1Å; Q202-M206 VanDerWaalsContact O-N 3.08Å; Q202-F246 HydrophobicContact CB-CD1 4.05Å; Q202-F246 HydrophobicContact CB-CE1 3.88Å; Q202-F246 HydrophobicContact CB-CZ 4.26Å; Q202-F246 HydrophobicContact CG-CE1 4.23Å; Q202-F246 HydrophobicContact CG-CZ 4.49Å; Q202-F246 VanDerWaalsContact OE1-CE1 3.22Å |
| 203 | I | 97.3 | Very high | 95.8 | Very high | 19 Ų | 19 | 46 Ų | 46 | 10% | 0.097 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.6 | -46.2 | 175.5 | -69.2 | 166.5 | 0 | 0 | 0 | 110.5 | T199 L200 Q205 M206 L207 L243 F246 F250 | T199-I203 WeakPolarHBondContact O-CG1 3.17Å; T199-I203 PolarHBondContact O-N 3.31Å; L200-I203 PolarHBondContact O-N 3.08Å; L200-I203 VanDerWaalsContact O-N 3.13Å; I203-Q205 VanDerWaalsContact C-N 3.3Å; I203-Q205 PolarHBondContact O-N 3.41Å; I203-M206 PolarHBondContact O-N 2.89Å; I203-M206 VanDerWaalsContact O-N 3.07Å; I203-L207 HydrophobicContact CG2-CD1 4.2Å; I203-L207 PolarHBondContact O-N 3.28Å; I203-L243 HydrophobicContact CG2-CD1 4Å; I203-F246 HydrophobicContact CG1-CB 3.79Å; I203-F250 HydrophobicContact CD1-CB 3.83Å; I203-F250 HydrophobicContact CD1-CD2 4.21Å; I203-F250 HydrophobicContact CD1-CG 4.08Å |
| 204 | T | 97.4 | Very high | 96.1 | Very high | 79 Ų | 79 | 44.7 Ų | 44.7 | 49% | 0.485 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -59.8 | -41 | 176.3 | -58.5 | 0 | 0 | 0 | 0 | 111.4 | L200 S201 M206 L207 M208 | L200-T204 PolarHBondContact O-N 3.18Å; L200-T204 PolarHBondContact O-OG1 3.44Å; S201-T204 PolarHBondContact O-N 3.4Å; T204-M206 VanDerWaalsContact C-N 3.3Å; T204-M206 PolarHBondContact O-N 3.16Å; T204-L207 PolarHBondContact O-N 3.06Å; T204-M208 HydrophobicContact CG2-CG 4.32Å; T204-M208 WeakPolarHBondContact O-CB 3.5Å; T204-M208 WeakPolarHBondContact O-CG 3.45Å; T204-M208 PolarHBondContact O-N 2.89Å |
| 205 | Q | 97.8 | Very high | 96.3 | Very high | 13 Ų | 13 | 42.1 Ų | 42.1 | 6% | 0.061 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -57.9 | -42.7 | 173.4 | -179.5 | -157.4 | -44.7 | 0 | 0 | 111.6 | M169 V173 S201 Q202 I203 G209 | M169-Q205 HydrophobicContact CB-CG 4.09Å; V173-Q205 HydrophobicContact CG2-CB 4.1Å; V173-Q205 HydrophobicContact CG2-CG 4.46Å; S201-Q205 WeakPolarHBondContact O-CB 3.3Å; S201-Q205 PolarHBondContact O-N 3.31Å; Q202-Q205 WeakPolarHBondContact O-CB 3.48Å; Q202-Q205 PolarHBondContact O-N 2.91Å; I203-Q205 VanDerWaalsContact C-N 3.3Å; I203-Q205 PolarHBondContact O-N 3.41Å; Q205-G209 PolarHBondContact O-N 3.46Å |
| 206 | M | 97.4 | Very high | 96.4 | Very high | 2 Ų | 2 | 41.5 Ų | 41.5 | 1% | 0.01 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -67.3 | -41.7 | 179.1 | -59.1 | -48.7 | 137.8 | 0 | 0 | 112.3 | Q202 I203 T204 G209 C210 Y239 Y242 L243 F246 | Q202-M206 WeakPolarHBondContact O-CG 3.38Å; Q202-M206 PolarHBondContact O-N 3.1Å; Q202-M206 VanDerWaalsContact O-N 3.08Å; I203-M206 PolarHBondContact O-N 2.89Å; I203-M206 VanDerWaalsContact O-N 3.07Å; T204-M206 VanDerWaalsContact C-N 3.3Å; T204-M206 PolarHBondContact O-N 3.16Å; M206-G209 PolarHBondContact O-N 3.13Å; M206-C210 PolarHBondContact O-N 3.07Å; M206-C210 PolarHBondContact O-SG 3.08Å; M206-Y239 HydrophobicContact SD-CD1 3.7Å; M206-Y239 HydrophobicContact SD-CE1 3.91Å; M206-Y242 HydrophobicContact CE-CD2 4.32Å; M206-Y242 VanDerWaalsContact SD-CB 3.53Å; M206-Y242 HydrophobicContact SD-CD2 3.68Å; M206-Y242 HydrophobicContact SD-CG 4.13Å; M206-L243 HydrophobicContact CB-CB 3.9Å; M206-L243 HydrophobicContact CB-CD1 4.14Å; M206-F246 HydrophobicContact CE-CE2 4.26Å; M206-F246 HydrophobicContact CG-CD2 4.29Å |
| 207 | L | 97.4 | Very high | 96.5 | Very high | 83 Ų | 83 | 41.9 Ų | 41.9 | 44% | 0.435 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -60.3 | -49.3 | 175 | -72 | 170.5 | 0 | 0 | 0 | 111.6 | I203 T204 G209 C210 V211 L243 | I203-L207 HydrophobicContact CG2-CD1 4.2Å; I203-L207 PolarHBondContact O-N 3.28Å; T204-L207 PolarHBondContact O-N 3.06Å; L207-G209 VanDerWaalsContact C-N 3.25Å; L207-G209 PolarHBondContact O-N 3.34Å; L207-C210 WeakPolarHBondContact O-CB 3.16Å; L207-C210 PolarHBondContact O-N 3.14Å; L207-C210 VanDerWaalsContact O-N 3.16Å; L207-V211 WeakPolarHBondContact O-CG2 3.39Å; L207-V211 PolarHBondContact O-N 3.05Å; L207-L243 HydrophobicContact CD2-CD1 3.7Å; L207-L243 HydrophobicContact CD2-CD2 3.53Å; L207-L243 HydrophobicContact CD2-CG 4.27Å; L207-L243 HydrophobicContact CG-CD1 3.7Å; L207-L243 HydrophobicContact CG-CD2 4.36Å |
| 208 | M | 96.9 | Very high | 96.4 | Very high | 76 Ų | 76 | 41.1 Ų | 41.1 | 37% | 0.374 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -60.6 | -37.9 | 176.1 | -71 | -60 | -62.6 | 0 | 0 | 111.2 | M169 T204 C210 V211 I212 | M169-M208 HydrophobicContact CE-CB 4.14Å; M169-M208 HydrophobicContact SD-CB 3.48Å; M169-M208 WeakPolarHBondContact SD-CB 3.45Å; M169-M208 HydrophobicContact SD-CG 4.26Å; T204-M208 HydrophobicContact CG2-CG 4.32Å; T204-M208 WeakPolarHBondContact O-CB 3.5Å; T204-M208 WeakPolarHBondContact O-CG 3.45Å; T204-M208 PolarHBondContact O-N 2.89Å; M208-C210 PolarHBondContact O-N 3.1Å; M208-V211 PolarHBondContact O-N 3.24Å; M208-I212 VanDerWaalsContact O-CG1 3.31Å; M208-I212 WeakPolarHBondContact O-CG1 3.49Å; M208-I212 PolarHBondContact O-N 3.02Å |
| 209 | G | 96.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.4 | -43.6 | 174 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q205 M206 L207 I212 N213 | Q205-G209 PolarHBondContact O-N 3.46Å; M206-G209 PolarHBondContact O-N 3.13Å; L207-G209 VanDerWaalsContact C-N 3.25Å; L207-G209 PolarHBondContact O-N 3.34Å; G209-I212 PolarHBondContact O-N 3.23Å; G209-N213 PolarHBondContact O-N 3.24Å; G209-N213 PolarHBondContact O-ND2 3.37Å |
| 210 | C | 97.4 | Very high | 96.1 | Very high | 36 Ų | 36 | 44.1 Ų | 44.1 | 24% | 0.243 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.7 | -41.8 | 173 | -65.9 | 0 | 0 | 0 | 0 | 112.2 | M206 L207 M208 N213 Y214 | M206-C210 PolarHBondContact O-N 3.07Å; M206-C210 PolarHBondContact O-SG 3.08Å; L207-C210 WeakPolarHBondContact O-CB 3.16Å; L207-C210 PolarHBondContact O-N 3.14Å; L207-C210 VanDerWaalsContact O-N 3.16Å; M208-C210 PolarHBondContact O-N 3.1Å; C210-N213 PolarHBondContact O-N 3.44Å; C210-Y214 PolarHBondContact O-N 2.97Å |
| 211 | V | 97.3 | Very high | 95.6 | Very high | 71 Ų | 71 | 46.1 Ų | 46.1 | 43% | 0.43 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -62.8 | -46.1 | 176.9 | 173.7 | 0 | 0 | 0 | 0 | 111.1 | L207 M208 N213 Y214 L215 | L207-V211 WeakPolarHBondContact O-CG2 3.39Å; L207-V211 PolarHBondContact O-N 3.05Å; M208-V211 PolarHBondContact O-N 3.24Å; V211-N213 PolarHBondContact O-N 2.94Å; V211-Y214 WeakPolarHBondContact O-CB 3.18Å; V211-Y214 PolarHBondContact O-N 2.88Å; V211-L215 HydrophobicContact CG1-CD1 4.1Å; V211-L215 HydrophobicContact CG1-CG 4.37Å; V211-L215 WeakPolarHBondContact O-CG 3.2Å; V211-L215 PolarHBondContact O-N 3.48Å |
| 212 | I | 96.8 | Very high | 95.1 | Very high | 4 Ų | 4 | 49.4 Ų | 49.4 | 2% | 0.021 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.4 | -43.8 | 177.5 | -64.4 | -65.3 | 0 | 0 | 0 | 110.8 | V98 W165 F166 M169 M208 G209 Y214 L215 V216 | V98-I212 HydrophobicContact CG1-CG2 4.27Å; V98-I212 HydrophobicContact CG2-CD1 3.85Å; W165-I212 HydrophobicContact CB-CD1 4.06Å; W165-I212 HydrophobicContact CB-CG1 4.07Å; W165-I212 HydrophobicContact CB-CG2 4.32Å; W165-I212 HydrophobicContact CD2-CD1 4.05Å; W165-I212 HydrophobicContact CG-CD1 3.73Å; W165-I212 HydrophobicContact CG-CG1 4.29Å; F166-I212 HydrophobicContact CD1-CG2 4.44Å; F166-I212 HydrophobicContact CE1-CB 3.77Å; F166-I212 HydrophobicContact CE1-CG2 3.68Å; F166-I212 HydrophobicContact CE2-CG2 4.3Å; F166-I212 HydrophobicContact CZ-CB 4.07Å; F166-I212 HydrophobicContact CZ-CG2 3.58Å; M169-I212 HydrophobicContact CE-CG1 4.33Å; M208-I212 VanDerWaalsContact O-CG1 3.31Å; M208-I212 WeakPolarHBondContact O-CG1 3.49Å; M208-I212 PolarHBondContact O-N 3.02Å; G209-I212 PolarHBondContact O-N 3.23Å; I212-Y214 VanDerWaalsContact C-N 3.34Å; I212-Y214 PolarHBondContact O-N 3.43Å; I212-L215 PolarHBondContact O-N 3.07Å; I212-V216 HydrophobicContact CG2-CG2 4.34Å; I212-V216 WeakPolarHBondContact O-CG2 3.42Å; I212-V216 PolarHBondContact O-N 2.99Å |
| 213 | N | 96 | Very high | 94.2 | Very high | 5 Ų | 5 | 55.8 Ų | 55.8 | 3% | 0.027 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58.9 | -43.9 | 175.3 | -81.5 | -39.7 | 0 | 0 | 0 | 112.5 | F166 G209 C210 V211 V216 F217 S235 | F166-N213 VanDerWaalsContact CZ-OD1 3.3Å; F166-N213 WeakPolarHBondContact CZ-OD1 3.33Å; G209-N213 PolarHBondContact O-N 3.24Å; G209-N213 PolarHBondContact O-ND2 3.37Å; C210-N213 PolarHBondContact O-N 3.44Å; V211-N213 PolarHBondContact O-N 2.94Å; N213-V216 PolarHBondContact O-N 3.3Å; N213-F217 WeakPolarHBondContact O-CB 3.17Å; N213-F217 PolarHBondContact O-N 3.06Å; N213-S235 VanDerWaalsContact CG-OG 3.25Å; N213-S235 PolarHBondContact ND2-OG 3.11Å; N213-S235 WeakPolarHBondContact OD1-CB 3.29Å; N213-S235 PolarHBondContact OD1-OG 3.39Å |
| 214 | Y | 95.6 | Very high | 93.3 | Very high | 147 Ų | 147 | 59.9 Ų | 59.9 | 58% | 0.576 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -61.1 | -44.7 | 175.3 | 170.7 | -99.4 | 0 | 0 | 0 | 111.9 | C210 V211 I212 F217 Y218 | C210-Y214 PolarHBondContact O-N 2.97Å; V211-Y214 WeakPolarHBondContact O-CB 3.18Å; V211-Y214 PolarHBondContact O-N 2.88Å; I212-Y214 VanDerWaalsContact C-N 3.34Å; I212-Y214 PolarHBondContact O-N 3.43Å; Y214-F217 WeakPolarHBondContact O-CB 3.48Å; Y214-F217 PolarHBondContact O-N 3.41Å; Y214-Y218 WeakPolarHBondContact O-CB 3.46Å; Y214-Y218 PolarHBondContact O-N 3.43Å |
| 215 | L | 95.6 | Very high | 92.7 | Very high | 29 Ų | 29 | 56.6 Ų | 56.6 | 15% | 0.152 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.8 | -43.6 | 178.5 | -71.2 | 176.9 | 0 | 0 | 0 | 112.3 | L94 V98 V211 I212 F217 Y218 W219 | L94-L215 HydrophobicContact CD2-CD1 4.32Å; V98-L215 HydrophobicContact CG1-CB 4.39Å; V98-L215 HydrophobicContact CG2-CD1 4.48Å; V211-L215 HydrophobicContact CG1-CD1 4.1Å; V211-L215 HydrophobicContact CG1-CG 4.37Å; V211-L215 WeakPolarHBondContact O-CG 3.2Å; V211-L215 PolarHBondContact O-N 3.48Å; I212-L215 PolarHBondContact O-N 3.07Å; L215-F217 VanDerWaalsContact C-N 3.33Å; L215-F217 PolarHBondContact O-N 3.3Å; L215-Y218 PolarHBondContact O-N 3.42Å; L215-W219 HydrophobicContact CB-CE3 4.01Å; L215-W219 HydrophobicContact CB-CH2 4.07Å; L215-W219 HydrophobicContact CB-CZ3 3.63Å; L215-W219 HydrophobicContact CD1-CH2 4.05Å; L215-W219 HydrophobicContact CD1-CZ3 4.21Å; L215-W219 HydrophobicContact CD2-CH2 3.92Å; L215-W219 HydrophobicContact CD2-CZ2 4.13Å; L215-W219 HydrophobicContact CD2-CZ3 4.35Å; L215-W219 HydrophobicContact CG-CH2 4.24Å; L215-W219 HydrophobicContact CG-CZ3 4.28Å; L215-W219 PolarHBondContact O-N 2.86Å |
| 216 | V | 94.6 | Very high | 92 | Very high | 2 Ų | 2 | 62.2 Ų | 62.2 | 1% | 0.012 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -59.5 | -46.7 | 174.4 | 173.3 | 0 | 0 | 0 | 0 | 110.1 | V98 A161 I212 N213 W219 M220 I232 | V98-V216 HydrophobicContact CG1-CG2 3.45Å; V98-V216 VanDerWaalsContact CG1-CG2 3.45Å; A161-V216 HydrophobicContact CB-CG1 4.01Å; A161-V216 HydrophobicContact CB-CG2 4.24Å; I212-V216 HydrophobicContact CG2-CG2 4.34Å; I212-V216 WeakPolarHBondContact O-CG2 3.42Å; I212-V216 PolarHBondContact O-N 2.99Å; N213-V216 PolarHBondContact O-N 3.3Å; V216-W219 PolarHBondContact O-N 2.75Å; V216-M220 WeakPolarHBondContact O-CB 3.3Å; V216-M220 PolarHBondContact O-N 3.47Å; V216-I232 HydrophobicContact CG1-CD1 3.8Å; V216-I232 HydrophobicContact CG1-CG1 4.03Å |
| 217 | F | 94.2 | Very high | 91.5 | Very high | 63 Ų | 63 | 62.9 Ų | 62.9 | 28% | 0.276 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -60.4 | -47 | 177.5 | -179.2 | -108.2 | 0 | 0 | 0 | 112.5 | N213 Y214 L215 M220 Q221 F229 I232 | N213-F217 WeakPolarHBondContact O-CB 3.17Å; N213-F217 PolarHBondContact O-N 3.06Å; Y214-F217 WeakPolarHBondContact O-CB 3.48Å; Y214-F217 PolarHBondContact O-N 3.41Å; L215-F217 VanDerWaalsContact C-N 3.33Å; L215-F217 PolarHBondContact O-N 3.3Å; F217-M220 HydrophobicContact CD2-CE 4.08Å; F217-M220 HydrophobicContact CE2-CE 4.36Å; F217-M220 PolarHBondContact O-N 2.89Å; F217-Q221 PolarHBondContact O-N 3.17Å; F217-F229 HydrophobicContact CE2-CD2 4.08Å; F217-F229 AromaticContact CE2-CE2 3.91Å; F217-F229 HydrophobicContact CE2-CE2 3.91Å; F217-I232 HydrophobicContact CB-CD1 4.42Å; F217-I232 HydrophobicContact CB-CG2 4.1Å; F217-I232 HydrophobicContact CD2-CD1 4.47Å; F217-I232 HydrophobicContact CD2-CG2 4.39Å |
| 218 | Y | 93.8 | Very high | 90.9 | Very high | 101 Ų | 101 | 63 Ų | 63 | 40% | 0.396 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61.7 | -45.3 | 179.7 | 177.9 | -101.5 | 0 | 0 | 0 | 112.1 | Y214 L215 Q221 H222 | Y214-Y218 WeakPolarHBondContact O-CB 3.46Å; Y214-Y218 PolarHBondContact O-N 3.43Å; L215-Y218 PolarHBondContact O-N 3.42Å; Y218-Q221 PolarHBondContact O-N 2.71Å; Y218-H222 AromaticContact CE2-CE1 3.63Å; Y218-H222 AromaticContact CZ-CE1 3.69Å; Y218-H222 PolarHBondContact O-ND1 3.3Å |
| 219 | W | 93.5 | Very high | 90.5 | Very high | 36 Ų | 36 | 65.3 Ų | 65.3 | 14% | 0.136 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -77 | -24.3 | 179.3 | -68.1 | -38.3 | 0 | 0 | 0 | 113.9 | L94 K95 V98 L215 V216 Q221 H222 Q224 C225 | L94-W219 HydrophobicContact CD2-CH2 4.41Å; L94-W219 HydrophobicContact CG-CH2 4.18Å; K95-W219 VanDerWaalsContact CA-CH2 3.46Å; K95-W219 HydrophobicContact CB-CD2 4.37Å; K95-W219 HydrophobicContact CB-CE3 4.49Å; K95-W219 HydrophobicContact CB-CH2 3.96Å; K95-W219 HydrophobicContact CB-CZ2 3.78Å; K95-W219 HydrophobicContact CB-CZ3 4.32Å; K95-W219 HydrophobicContact CG-CD2 3.83Å; K95-W219 HydrophobicContact CG-CE3 4.16Å; K95-W219 HydrophobicContact CG-CG 4.25Å; K95-W219 HydrophobicContact CG-CH2 4.46Å; K95-W219 HydrophobicContact CG-CZ2 4.12Å; K95-W219 HydrophobicContact CG-CZ3 4.48Å; V98-W219 HydrophobicContact CB-CE3 4.19Å; V98-W219 HydrophobicContact CB-CZ3 3.57Å; V98-W219 HydrophobicContact CG1-CE3 4.07Å; V98-W219 HydrophobicContact CG1-CZ3 3.76Å; V98-W219 HydrophobicContact CG2-CH2 4.49Å; V98-W219 HydrophobicContact CG2-CZ3 3.84Å; L215-W219 HydrophobicContact CB-CE3 4.01Å; L215-W219 HydrophobicContact CB-CH2 4.07Å; L215-W219 HydrophobicContact CB-CZ3 3.63Å; L215-W219 HydrophobicContact CD1-CH2 4.05Å; L215-W219 HydrophobicContact CD1-CZ3 4.21Å; L215-W219 HydrophobicContact CD2-CH2 3.92Å; L215-W219 HydrophobicContact CD2-CZ2 4.13Å; L215-W219 HydrophobicContact CD2-CZ3 4.35Å; L215-W219 HydrophobicContact CG-CH2 4.24Å; L215-W219 HydrophobicContact CG-CZ3 4.28Å; L215-W219 PolarHBondContact O-N 2.86Å; V216-W219 PolarHBondContact O-N 2.75Å; W219-Q221 VanDerWaalsContact C-N 3.34Å; W219-H222 PolarHBondContact O-N 2.94Å; W219-Q224 HydrophobicContact CB-CB 4.41Å; W219-Q224 PolarHBondContact O-N 3.1Å; W219-Q224 VanDerWaalsContact O-N 3.07Å; W219-C225 HydrophobicContact CB-CB 3.85Å |
| 220 | M | 91.3 | Very high | 90.3 | Very high | 39 Ų | 39 | 71.3 Ų | 71.3 | 19% | 0.192 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63.8 | -39.4 | 171 | -175.2 | -172.9 | 75.4 | 0 | 0 | 111.3 | V216 F217 H222 D223 I232 | V216-M220 WeakPolarHBondContact O-CB 3.3Å; V216-M220 PolarHBondContact O-N 3.47Å; F217-M220 HydrophobicContact CD2-CE 4.08Å; F217-M220 HydrophobicContact CE2-CE 4.36Å; F217-M220 PolarHBondContact O-N 2.89Å; M220-H222 PolarHBondContact O-N 2.94Å; M220-D223 PolarHBondContact O-N 2.93Å; M220-I232 HydrophobicContact CE-CD1 3.95Å; M220-I232 HydrophobicContact SD-CD1 3.58Å; M220-I232 VanDerWaalsContact SD-CD1 3.58Å |
| 221 | Q | 87.1 | Confident | 90 | Very high | 118 Ų | 118 | 69.7 Ų | 69.7 | 55% | 0.551 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -19.9 | 178.1 | -71.5 | -175.7 | -9.5 | 0 | 0 | 114.4 | F217 Y218 W219 | F217-Q221 PolarHBondContact O-N 3.17Å; Y218-Q221 PolarHBondContact O-N 2.71Å; W219-Q221 VanDerWaalsContact C-N 3.34Å |
| 222 | H | 85.9 | Confident | 89.8 | Confident | 95 Ų | 95 | 66.8 Ų | 66.8 | 44% | 0.44 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | 14.2 | -179.9 | -65.1 | 82.7 | 0 | 0 | 0 | 112.3 | Y218 W219 M220 Q224 | Y218-H222 AromaticContact CE2-CE1 3.63Å; Y218-H222 AromaticContact CZ-CE1 3.69Å; Y218-H222 PolarHBondContact O-ND1 3.3Å; W219-H222 PolarHBondContact O-N 2.94Å; M220-H222 PolarHBondContact O-N 2.94Å; H222-Q224 HydrophobicContact CB-CG 3.89Å; H222-Q224 VanDerWaalsContact O-CG 3.26Å; H222-Q224 WeakPolarHBondContact O-CG 3.4Å; H222-Q224 PolarHBondContact O-N 3.3Å; H222-Q224 VanDerWaalsContact O-N 3.16Å; H222-Q224 PolarHBondContact O-NE2 2.95Å |
| 223 | D | 78.7 | Confident | 89.7 | Confident | 154 Ų | 154 | 71.6 Ų | 71.6 | 82% | 0.824 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.4 | 29.1 | -175.1 | -63.4 | -50 | 0 | 0 | 0 | 113.7 | M220 | M220-D223 PolarHBondContact O-N 2.93Š|
| 224 | Q | 78.3 | Confident | 89.7 | Confident | 105 Ų | 105 | 77.7 Ų | 77.7 | 49% | 0.491 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -104.3 | -3.6 | -177.4 | -57.2 | -58.8 | -65.5 | 0 | 0 | 113.6 | W219 H222 | W219-Q224 HydrophobicContact CB-CB 4.41Å; W219-Q224 PolarHBondContact O-N 3.1Å; W219-Q224 VanDerWaalsContact O-N 3.07Å; H222-Q224 HydrophobicContact CB-CG 3.89Å; H222-Q224 VanDerWaalsContact O-CG 3.26Å; H222-Q224 WeakPolarHBondContact O-CG 3.4Å; H222-Q224 PolarHBondContact O-N 3.3Å; H222-Q224 VanDerWaalsContact O-N 3.16Å; H222-Q224 PolarHBondContact O-NE2 2.95Å |
| 225 | C | 84.8 | Confident | 89.7 | Confident | 10 Ų | 10 | 70.7 Ų | 70.7 | 7% | 0.068 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -150 | 112.1 | -171.8 | -153 | 0 | 0 | 0 | 0 | 109.4 | C99 W219 S227 | C99-C225 VanDerWaalsContact CA-SG 3.53Å; C99-C225 HydrophobicContact CB-CB 3.99Å; C99-C225 WeakPolarHBondContact CB-SG 3.47Å; C99-C225 WeakPolarHBondContact SG-CB 3.24Å; C99-C225 CovalentContact SG-SG 2.04Å; C99-C225 PolarHBondContact SG-SG 2.9Å; W219-C225 HydrophobicContact CB-CB 3.85Å; C225-S227 PolarHBondContact O-N 3.2Å |
| 226 | H | 83.8 | Confident | 89.7 | Confident | 130 Ų | 130 | 71.4 Ų | 71.4 | 60% | 0.602 | 33% | 0.332 | S | S | * | . | trans | -77.4 | 116.7 | 176.3 | -166.5 | 72.1 | 0 | 0 | 0 | 109.8 | ||||
| 227 | S | 85.1 | Confident | 89.8 | Confident | 17 Ų | 17 | 75.4 Ų | 75.4 | 12% | 0.119 | 35% | 0.353 | C | S | . | . | trans | -157.3 | 167.8 | 177 | -165.8 | 0 | 0 | 0 | 0 | 110.2 | C225 | C225-S227 PolarHBondContact O-N 3.2Š| ||
| 228 | H | 86.6 | Confident | 89.9 | Confident | 84 Ų | 84 | 73.1 Ų | 73.1 | 39% | 0.389 | 34% | 0.343 | S | S | . | . | trans | -106.4 | 131.5 | 177.7 | -60.9 | -69.9 | 0 | 0 | 0 | 110.8 | Q230 N231 I232 | H228-Q230 PolarHBondContact O-N 2.88Å; H228-N231 HydrophobicContact CB-CB 4.38Å; H228-N231 WeakPolarHBondContact O-CB 3.49Å; H228-N231 PolarHBondContact O-N 3.03Å; H228-I232 PolarHBondContact O-N 2.99Å; H228-I232 VanDerWaalsContact O-N 3.17Å | ||
| 229 | F | 88.6 | Confident | 90 | Very high | 125 Ų | 125 | 69 Ų | 69 | 55% | 0.548 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -54.3 | -39.6 | 177.7 | 179.9 | -98 | 0 | 0 | 0 | 112.8 | F217 N231 I232 F233 | F217-F229 HydrophobicContact CE2-CD2 4.08Å; F217-F229 AromaticContact CE2-CE2 3.91Å; F217-F229 HydrophobicContact CE2-CE2 3.91Å; F229-N231 PolarHBondContact O-N 3.47Å; F229-I232 PolarHBondContact O-N 3.48Å; F229-F233 WeakPolarHBondContact O-CB 3.44Å; F229-F233 PolarHBondContact O-N 3.23Å |
| 230 | Q | 90.7 | Very high | 90.2 | Very high | 127 Ų | 127 | 71.8 Ų | 71.8 | 59% | 0.593 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -60 | -43.3 | 177.2 | -68.2 | -179 | -11 | 0 | 0 | 112.2 | H228 F233 W234 | H228-Q230 PolarHBondContact O-N 2.88Å; Q230-F233 PolarHBondContact O-N 3.44Å; Q230-W234 PolarHBondContact O-N 2.96Å |
| 231 | N | 91.9 | Very high | 90.5 | Very high | 2 Ų | 2 | 71.1 Ų | 71.1 | 1% | 0.011 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -62.4 | -46.5 | 177 | -87.3 | -62.1 | 0 | 0 | 0 | 111.3 | Y154 D158 V160 H228 F229 F233 W234 S235 | Y154-N231 VanDerWaalsContact CD1-OD1 3.26Å; Y154-N231 WeakPolarHBondContact CD1-OD1 3.47Å; Y154-N231 WeakPolarHBondContact CE1-OD1 3.38Å; D158-N231 PolarHBondContact OD2-ND2 3.22Å; V160-N231 HydrophobicContact CG1-CB 3.69Å; H228-N231 HydrophobicContact CB-CB 4.38Å; H228-N231 WeakPolarHBondContact O-CB 3.49Å; H228-N231 PolarHBondContact O-N 3.03Å; F229-N231 PolarHBondContact O-N 3.47Å; N231-F233 VanDerWaalsContact C-N 3.33Å; N231-F233 PolarHBondContact O-N 2.89Å; N231-W234 PolarHBondContact O-N 3.04Å; N231-S235 WeakPolarHBondContact O-CB 3.36Å; N231-S235 PolarHBondContact O-N 2.99Å |
| 232 | I | 92.9 | Very high | 91 | Very high | 10 Ų | 10 | 65.7 Ų | 65.7 | 5% | 0.051 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61 | -43.3 | 177.8 | -61.4 | 171.2 | 0 | 0 | 0 | 110.8 | V216 F217 M220 H228 F229 S236 | V216-I232 HydrophobicContact CG1-CD1 3.8Å; V216-I232 HydrophobicContact CG1-CG1 4.03Å; F217-I232 HydrophobicContact CB-CD1 4.42Å; F217-I232 HydrophobicContact CB-CG2 4.1Å; F217-I232 HydrophobicContact CD2-CD1 4.47Å; F217-I232 HydrophobicContact CD2-CG2 4.39Å; M220-I232 HydrophobicContact CE-CD1 3.95Å; M220-I232 HydrophobicContact SD-CD1 3.58Å; M220-I232 VanDerWaalsContact SD-CD1 3.58Å; H228-I232 PolarHBondContact O-N 2.99Å; H228-I232 VanDerWaalsContact O-N 3.17Å; F229-I232 PolarHBondContact O-N 3.48Å; I232-S236 VanDerWaalsContact O-CB 3.24Å; I232-S236 WeakPolarHBondContact O-CB 3.24Å; I232-S236 PolarHBondContact O-N 2.96Å; I232-S236 PolarHBondContact O-OG 3.04Å |
| 233 | F | 94.6 | Very high | 91.5 | Very high | 105 Ų | 105 | 62.4 Ų | 62.4 | 46% | 0.461 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -61 | -52.7 | 178.3 | 177.2 | -96.9 | 0 | 0 | 0 | 111.7 | F229 Q230 N231 S235 S236 L237 | F229-F233 WeakPolarHBondContact O-CB 3.44Å; F229-F233 PolarHBondContact O-N 3.23Å; Q230-F233 PolarHBondContact O-N 3.44Å; N231-F233 VanDerWaalsContact C-N 3.33Å; N231-F233 PolarHBondContact O-N 2.89Å; F233-S235 PolarHBondContact O-N 2.9Å; F233-S236 PolarHBondContact O-N 3.33Å; F233-L237 WeakPolarHBondContact O-CB 3.31Å; F233-L237 PolarHBondContact O-N 2.73Å |
| 234 | W | 95.3 | Very high | 92.4 | Very high | 133 Ų | 133 | 59.4 Ų | 59.4 | 50% | 0.504 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -64 | -40 | 179.3 | -68.6 | 123.7 | 0 | 0 | 0 | 112.4 | Y151 Q230 N231 L237 M238 | Y151-W234 HydrophobicContact CD2-CB 4.39Å; Y151-W234 HydrophobicContact CE2-CB 4.46Å; Q230-W234 PolarHBondContact O-N 2.96Å; N231-W234 PolarHBondContact O-N 3.04Å; W234-L237 HydrophobicContact CE3-CD2 4.05Å; W234-L237 HydrophobicContact CZ3-CD2 3.95Å; W234-M238 WeakPolarHBondContact O-CB 3.2Å; W234-M238 PolarHBondContact O-N 3.46Å |
| 235 | S | 95.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59.5 | -49.3 | 173.9 | -169 | 0 | 0 | 0 | 0 | 111.8 | Y151 N213 N231 F233 L237 M238 Y239 | Y151-S235 VanDerWaalsContact CZ-CB 3.49Å; Y151-S235 WeakPolarHBondContact OH-CB 3.46Å; Y151-S235 PolarHBondContact OH-OG 2.87Å; Y151-S235 VanDerWaalsContact OH-OG 3.09Å; N213-S235 VanDerWaalsContact CG-OG 3.25Å; N213-S235 PolarHBondContact ND2-OG 3.11Å; N213-S235 WeakPolarHBondContact OD1-CB 3.29Å; N213-S235 PolarHBondContact OD1-OG 3.39Å; N231-S235 WeakPolarHBondContact O-CB 3.36Å; N231-S235 PolarHBondContact O-N 2.99Å; F233-S235 PolarHBondContact O-N 2.9Å; S235-L237 PolarHBondContact O-N 2.91Å; S235-M238 PolarHBondContact O-N 3.29Å; S235-Y239 WeakPolarHBondContact O-CB 3.19Å; S235-Y239 WeakPolarHBondContact O-CD2 3.01Å; S235-Y239 PolarHBondContact O-N 3.31Å |
| 236 | S | 95.8 | Very high | 93.7 | Very high | 44 Ų | 44 | 56.6 Ų | 56.6 | 31% | 0.308 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63.8 | -43.3 | -177.9 | -60 | 0 | 0 | 0 | 0 | 111 | I232 F233 L240 | I232-S236 VanDerWaalsContact O-CB 3.24Å; I232-S236 WeakPolarHBondContact O-CB 3.24Å; I232-S236 PolarHBondContact O-N 2.96Å; I232-S236 PolarHBondContact O-OG 3.04Å; F233-S236 PolarHBondContact O-N 3.33Å; S236-L240 WeakPolarHBondContact O-CB 3.39Å; S236-L240 PolarHBondContact O-N 2.89Å |
| 237 | L | 96.6 | Very high | 94.2 | Very high | 86 Ų | 86 | 52.3 Ų | 52.3 | 45% | 0.45 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -60.6 | -46.9 | 175.3 | -179 | 62.3 | 0 | 0 | 0 | 111.4 | F233 W234 S235 S241 | F233-L237 WeakPolarHBondContact O-CB 3.31Å; F233-L237 PolarHBondContact O-N 2.73Å; W234-L237 HydrophobicContact CE3-CD2 4.05Å; W234-L237 HydrophobicContact CZ3-CD2 3.95Å; S235-L237 PolarHBondContact O-N 2.91Å; L237-S241 VanDerWaalsContact O-CB 3.31Å; L237-S241 WeakPolarHBondContact O-CB 3.33Å; L237-S241 PolarHBondContact O-N 2.04Å; L237-S241 PolarHBondContact O-OG 3Å |
| 238 | M | 96.7 | Very high | 94.7 | Very high | 15 Ų | 15 | 56.5 Ų | 56.5 | 7% | 0.074 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.9 | -54.5 | 178.6 | -176.5 | -169.6 | 65.4 | 0 | 0 | 111.2 | Y151 W234 S235 L240 S241 Y242 | Y151-M238 HydrophobicContact CD1-CE 3.32Å; Y151-M238 HydrophobicContact CD1-SD 3.74Å; Y151-M238 HydrophobicContact CE1-CE 3.74Å; Y151-M238 HydrophobicContact CG-CE 3.98Å; Y151-M238 HydrophobicContact CG-SD 3.86Å; W234-M238 WeakPolarHBondContact O-CB 3.2Å; W234-M238 PolarHBondContact O-N 3.46Å; S235-M238 PolarHBondContact O-N 3.29Å; M238-L240 PolarHBondContact O-N 3.01Å; M238-S241 PolarHBondContact O-N 3.29Å; M238-S241 PolarHBondContact O-OG 3.46Å; M238-Y242 HydrophobicContact CE-CE2 4.27Å; M238-Y242 HydrophobicContact CG-CD2 4.1Å; M238-Y242 HydrophobicContact CG-CE1 3.97Å; M238-Y242 HydrophobicContact CG-CE2 3.46Å; M238-Y242 VanDerWaalsContact CG-CE2 3.46Å; M238-Y242 PolarHBondContact O-N 3.3Å; M238-Y242 HydrophobicContact SD-CE2 3.75Å |
| 239 | Y | 96.8 | Very high | 95 | Very high | 13 Ų | 13 | 55.6 Ų | 55.6 | 5% | 0.051 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.7 | -39.7 | -178.1 | -88.9 | -78.8 | 0 | 0 | 0 | 112.9 | F166 M206 S235 Y242 L243 | F166-Y239 WeakPolarHBondContact CB-OH 3.39Å; F166-Y239 HydrophobicContact CD1-CE1 4.49Å; F166-Y239 AromaticContact CD1-CE2 3.63Å; F166-Y239 HydrophobicContact CD1-CE2 3.63Å; F166-Y239 AromaticContact CD1-CZ 3.53Å; F166-Y239 WeakPolarHBondContact CD1-OH 3.33Å; F166-Y239 HydrophobicContact CE1-CD2 4.39Å; F166-Y239 AromaticContact CE1-CE2 3.74Å; F166-Y239 HydrophobicContact CE1-CE2 3.74Å; F166-Y239 HydrophobicContact CG-CE2 4.14Å; F166-Y239 HydrophobicContact CZ-CE2 4.35Å; M206-Y239 HydrophobicContact SD-CD1 3.7Å; M206-Y239 HydrophobicContact SD-CE1 3.91Å; S235-Y239 WeakPolarHBondContact O-CB 3.19Å; S235-Y239 WeakPolarHBondContact O-CD2 3.01Å; S235-Y239 PolarHBondContact O-N 3.31Å; Y239-Y242 PolarHBondContact O-N 3.39Å; Y239-L243 WeakPolarHBondContact O-CB 3.45Å; Y239-L243 PolarHBondContact O-N 3.4Å |
| 240 | L | 96.8 | Very high | 95.3 | Very high | 95 Ų | 95 | 51 Ų | 51 | 50% | 0.497 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -65.2 | -43.5 | 175.3 | -177.9 | 61.7 | 0 | 0 | 0 | 111.6 | S236 M238 Y242 L243 V244 | S236-L240 WeakPolarHBondContact O-CB 3.39Å; S236-L240 PolarHBondContact O-N 2.89Å; M238-L240 PolarHBondContact O-N 3.01Å; L240-Y242 VanDerWaalsContact C-N 3.32Å; L240-Y242 PolarHBondContact O-N 3.41Å; L240-L243 WeakPolarHBondContact O-CB 3.5Å; L240-L243 PolarHBondContact O-N 3.04Å; L240-V244 WeakPolarHBondContact O-CG2 3.48Å; L240-V244 PolarHBondContact O-N 3.47Å; L240-V244 VanDerWaalsContact O-N 3.1Å |
| 241 | S | 97.6 | Very high | 95.3 | Very high | 25 Ų | 25 | 50.8 Ų | 50.8 | 18% | 0.175 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.5 | -42.7 | 176.9 | 77.2 | 0 | 0 | 0 | 0 | 111.6 | Y143 L237 M238 V244 L245 | Y143-S241 PolarHBondContact OH-OG 3.43Å; L237-S241 VanDerWaalsContact O-CB 3.31Å; L237-S241 WeakPolarHBondContact O-CB 3.33Å; L237-S241 PolarHBondContact O-N 2.04Å; L237-S241 PolarHBondContact O-OG 3Å; M238-S241 PolarHBondContact O-N 3.29Å; M238-S241 PolarHBondContact O-OG 3.46Å; S241-V244 PolarHBondContact O-N 2.9Å; S241-L245 VanDerWaalsContact O-CG 3.27Å; S241-L245 WeakPolarHBondContact O-CG 3.44Å; S241-L245 PolarHBondContact O-N 3.22Å |
| 242 | Y | 97.2 | Very high | 95.2 | Very high | 4 Ų | 4 | 56.4 Ų | 56.4 | 2% | 0.016 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -66.4 | -42.5 | 177.9 | -66.9 | -8.4 | 0 | 0 | 0 | 111.4 | Y143 H144 T147 V148 M206 M238 Y239 L240 V244 L245 F246 | Y143-Y242 HydrophobicContact CD1-CD1 4.38Å; Y143-Y242 HydrophobicContact CD1-CE1 4.02Å; Y143-Y242 AromaticContact CE1-CD1 3.96Å; Y143-Y242 HydrophobicContact CE1-CD1 3.96Å; Y143-Y242 AromaticContact CE1-CE1 3.69Å; Y143-Y242 HydrophobicContact CE1-CE1 3.69Å; H144-Y242 HydrophobicContact CB-CE1 4.22Å; H144-Y242 AromaticContact CD2-CD2 3.89Å; H144-Y242 AromaticContact CD2-CE2 3.45Å; H144-Y242 VanDerWaalsContact CD2-CE2 3.45Å; H144-Y242 WeakPolarHBondContact CD2-CE2 3.42Å; H144-Y242 AromaticContact CD2-CZ 3.53Å; H144-Y242 PolarHBondContact O-OH 3.02Å; T147-Y242 WeakPolarHBondContact CB-OH 3.41Å; T147-Y242 WeakPolarHBondContact OG1-CE1 3.19Å; T147-Y242 PolarHBondContact OG1-OH 3.18Å; V148-Y242 PolarHBondContact N-OH 2.74Å; M206-Y242 HydrophobicContact CE-CD2 4.32Å; M206-Y242 VanDerWaalsContact SD-CB 3.53Å; M206-Y242 HydrophobicContact SD-CD2 3.68Å; M206-Y242 HydrophobicContact SD-CG 4.13Å; M238-Y242 HydrophobicContact CE-CE2 4.27Å; M238-Y242 HydrophobicContact CG-CD2 4.1Å; M238-Y242 HydrophobicContact CG-CE1 3.97Å; M238-Y242 HydrophobicContact CG-CE2 3.46Å; M238-Y242 VanDerWaalsContact CG-CE2 3.46Å; M238-Y242 PolarHBondContact O-N 3.3Å; M238-Y242 HydrophobicContact SD-CE2 3.75Å; Y239-Y242 PolarHBondContact O-N 3.39Å; L240-Y242 VanDerWaalsContact C-N 3.32Å; L240-Y242 PolarHBondContact O-N 3.41Å; Y242-V244 VanDerWaalsContact C-N 3.32Å; Y242-V244 PolarHBondContact O-N 2.89Å; Y242-L245 PolarHBondContact O-N 3.25Å; Y242-F246 WeakPolarHBondContact O-CB 3.34Å; Y242-F246 VanDerWaalsContact O-CD2 3.3Å; Y242-F246 WeakPolarHBondContact O-CD2 3.33Å; Y242-F246 PolarHBondContact O-N 3.35Å |
| 243 | L | 97.1 | Very high | 95 | Very high | 27 Ų | 27 | 57.2 Ų | 57.2 | 14% | 0.141 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -54.8 | -50 | 176.2 | 178.7 | 60.5 | 0 | 0 | 0 | 111.1 | I203 M206 L207 Y239 L240 L245 F246 C247 | I203-L243 HydrophobicContact CG2-CD1 4Å; M206-L243 HydrophobicContact CB-CB 3.9Å; M206-L243 HydrophobicContact CB-CD1 4.14Å; L207-L243 HydrophobicContact CD2-CD1 3.7Å; L207-L243 HydrophobicContact CD2-CD2 3.53Å; L207-L243 HydrophobicContact CD2-CG 4.27Å; L207-L243 HydrophobicContact CG-CD1 3.7Å; L207-L243 HydrophobicContact CG-CD2 4.36Å; Y239-L243 WeakPolarHBondContact O-CB 3.45Å; Y239-L243 PolarHBondContact O-N 3.4Å; L240-L243 WeakPolarHBondContact O-CB 3.5Å; L240-L243 PolarHBondContact O-N 3.04Å; L243-L245 PolarHBondContact O-N 3.37Å; L243-F246 PolarHBondContact O-N 2.97Å; L243-C247 VanDerWaalsContact O-CB 3.3Å; L243-C247 WeakPolarHBondContact O-CB 3.37Å; L243-C247 PolarHBondContact O-N 2.99Å; L243-C247 PolarHBondContact O-SG 2.97Å |
| 244 | V | 97.1 | Very high | 94.7 | Very high | 91 Ų | 91 | 53.1 Ų | 53.1 | 55% | 0.552 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -60.5 | -47.5 | 178.5 | 173.6 | 0 | 0 | 0 | 0 | 111 | L240 S241 Y242 C247 H248 | L240-V244 WeakPolarHBondContact O-CG2 3.48Å; L240-V244 PolarHBondContact O-N 3.47Å; L240-V244 VanDerWaalsContact O-N 3.1Å; S241-V244 PolarHBondContact O-N 2.9Å; Y242-V244 VanDerWaalsContact C-N 3.32Å; Y242-V244 PolarHBondContact O-N 2.89Å; V244-C247 PolarHBondContact O-N 2.67Å; V244-H248 WeakPolarHBondContact O-CB 3.22Å; V244-H248 PolarHBondContact O-N 3.16Å |
| 245 | L | 95.8 | Very high | 94.3 | Very high | 39 Ų | 39 | 49.9 Ų | 49.9 | 20% | 0.204 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -67.3 | -38.7 | -177.7 | -68.9 | 169.7 | 0 | 0 | 0 | 112.9 | F139 L140 Y143 S241 Y242 L243 F249 | F139-L245 HydrophobicContact CD1-CD2 4.08Å; F139-L245 HydrophobicContact CE1-CD1 4.17Å; F139-L245 HydrophobicContact CE1-CD2 4.12Å; L140-L245 HydrophobicContact CD1-CB 3.57Å; L140-L245 HydrophobicContact CD1-CD1 4.05Å; L140-L245 HydrophobicContact CD1-CG 4.45Å; L140-L245 HydrophobicContact CG-CB 4.48Å; Y143-L245 HydrophobicContact CD1-CD1 3.63Å; Y143-L245 HydrophobicContact CE1-CD1 3.78Å; S241-L245 VanDerWaalsContact O-CG 3.27Å; S241-L245 WeakPolarHBondContact O-CG 3.44Å; S241-L245 PolarHBondContact O-N 3.22Å; Y242-L245 PolarHBondContact O-N 3.25Å; L243-L245 PolarHBondContact O-N 3.37Å; L245-F249 WeakPolarHBondContact O-CB 3.42Å; L245-F249 PolarHBondContact O-N 3.42Å |
| 246 | F | 94.6 | Very high | 93.3 | Very high | 16 Ų | 16 | 51.4 Ų | 51.4 | 7% | 0.07 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -71 | -39.6 | 176.4 | -88.4 | -75.7 | 0 | 0 | 0 | 112 | L140 Q202 I203 M206 Y242 L243 F249 F250 | L140-F246 HydrophobicContact CD1-CD2 4.08Å; L140-F246 HydrophobicContact CD1-CE2 3.94Å; L140-F246 HydrophobicContact CD1-CZ 4.36Å; L140-F246 HydrophobicContact CD2-CD1 4.05Å; L140-F246 HydrophobicContact CD2-CD2 4.49Å; L140-F246 HydrophobicContact CD2-CE1 4Å; L140-F246 HydrophobicContact CD2-CE2 4.45Å; L140-F246 HydrophobicContact CD2-CG 4.29Å; L140-F246 HydrophobicContact CD2-CZ 4.21Å; Q202-F246 HydrophobicContact CB-CD1 4.05Å; Q202-F246 HydrophobicContact CB-CE1 3.88Å; Q202-F246 HydrophobicContact CB-CZ 4.26Å; Q202-F246 HydrophobicContact CG-CE1 4.23Å; Q202-F246 HydrophobicContact CG-CZ 4.49Å; Q202-F246 VanDerWaalsContact OE1-CE1 3.22Å; I203-F246 HydrophobicContact CG1-CB 3.79Å; M206-F246 HydrophobicContact CE-CE2 4.26Å; M206-F246 HydrophobicContact CG-CD2 4.29Å; Y242-F246 WeakPolarHBondContact O-CB 3.34Å; Y242-F246 VanDerWaalsContact O-CD2 3.3Å; Y242-F246 WeakPolarHBondContact O-CD2 3.33Å; Y242-F246 PolarHBondContact O-N 3.35Å; L243-F246 PolarHBondContact O-N 2.97Å; F246-F249 PolarHBondContact O-N 3.49Å; F246-F250 WeakPolarHBondContact O-CB 3.37Å; F246-F250 PolarHBondContact O-N 3.3Å |
| 247 | C | 95.4 | Very high | 92 | Very high | 41 Ų | 41 | 55.4 Ų | 55.4 | 28% | 0.277 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -59.3 | -49.8 | 171.5 | -75.3 | 0 | 0 | 0 | 0 | 110.6 | L243 V244 F249 F250 F251 | L243-C247 VanDerWaalsContact O-CB 3.3Å; L243-C247 WeakPolarHBondContact O-CB 3.37Å; L243-C247 PolarHBondContact O-N 2.99Å; L243-C247 PolarHBondContact O-SG 2.97Å; V244-C247 PolarHBondContact O-N 2.67Å; C247-F249 PolarHBondContact O-N 3.49Å; C247-F250 WeakPolarHBondContact O-CB 2.95Å; C247-F250 PolarHBondContact O-N 3.44Å; C247-F250 VanDerWaalsContact O-N 3.15Å; C247-F251 WeakPolarHBondContact O-CD2 3.45Å; C247-F251 PolarHBondContact O-N 3.34Å |
| 248 | H | 94.9 | Very high | 90.3 | Very high | 105 Ų | 105 | 56.5 Ų | 56.5 | 49% | 0.486 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -56.5 | -48.2 | 176.1 | -177.9 | -89.1 | 0 | 0 | 0 | 111.8 | V244 F250 F251 E252 | V244-H248 WeakPolarHBondContact O-CB 3.22Å; V244-H248 PolarHBondContact O-N 3.16Å; H248-F250 VanDerWaalsContact C-N 3.33Å; H248-F250 PolarHBondContact O-N 3.39Å; H248-F251 PolarHBondContact O-N 2.69Å; H248-E252 IonicContact CE1-OE1 2.97Å; H248-E252 PolarHBondContact CE1-OE1 3.12Å; H248-E252 VanDerWaalsContact CE1-OE1 3.24Å; H248-E252 IonicContact CE1-OE2 2.62Å; H248-E252 IonicContact ND1-OE2 3.37Å; H248-E252 IonicContact NE2-OE1 3.75Å; H248-E252 PolarHBondContact O-N 3.46Å |
| 249 | F | 93.6 | Very high | 88.5 | Confident | 64 Ų | 64 | 64.2 Ų | 64.2 | 28% | 0.281 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -58.3 | -42.8 | 175.9 | 173.3 | -99.3 | 0 | 0 | 0 | 112.4 | I138 L140 T199 L245 F246 C247 E252 A253 | I138-F249 HydrophobicContact CD1-CD2 4.16Å; I138-F249 HydrophobicContact CD1-CE2 4.15Å; L140-F249 HydrophobicContact CD2-CB 4.09Å; L140-F249 HydrophobicContact CD2-CG 4.33Å; T199-F249 HydrophobicContact CG2-CD1 3.82Å; T199-F249 HydrophobicContact CG2-CE1 3.98Å; L245-F249 WeakPolarHBondContact O-CB 3.42Å; L245-F249 PolarHBondContact O-N 3.42Å; F246-F249 PolarHBondContact O-N 3.49Å; C247-F249 PolarHBondContact O-N 3.49Å; F249-E252 PolarHBondContact O-N 3.39Å; F249-A253 HydrophobicContact CE1-CB 4.36Å; F249-A253 HydrophobicContact CE2-CB 4.36Å; F249-A253 HydrophobicContact CZ-CB 4.18Å; F249-A253 WeakPolarHBondContact O-CB 3.33Å; F249-A253 PolarHBondContact O-N 2.91Å |
| 250 | F | 93.5 | Very high | 86.7 | Confident | 28 Ų | 28 | 71.5 Ų | 71.5 | 12% | 0.123 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -63 | -45.5 | 178.7 | -176.9 | -89.2 | 0 | 0 | 0 | 111.8 | M196 T199 L200 I203 F246 C247 H248 E252 A253 Y254 I255 | M196-F250 HydrophobicContact CG-CE2 3.66Å; M196-F250 HydrophobicContact CG-CZ 4.07Å; M196-F250 HydrophobicContact SD-CZ 4.43Å; T199-F250 HydrophobicContact CG2-CB 4.19Å; T199-F250 HydrophobicContact CG2-CD2 3.84Å; L200-F250 HydrophobicContact CD1-CE2 4.43Å; L200-F250 HydrophobicContact CD2-CD2 4.24Å; L200-F250 HydrophobicContact CD2-CE2 3.6Å; L200-F250 HydrophobicContact CD2-CZ 3.79Å; L200-F250 HydrophobicContact CG-CE2 3.75Å; L200-F250 HydrophobicContact CG-CZ 4.25Å; I203-F250 HydrophobicContact CD1-CB 3.83Å; I203-F250 HydrophobicContact CD1-CD2 4.21Å; I203-F250 HydrophobicContact CD1-CG 4.08Å; F246-F250 WeakPolarHBondContact O-CB 3.37Å; F246-F250 PolarHBondContact O-N 3.3Å; C247-F250 WeakPolarHBondContact O-CB 2.95Å; C247-F250 PolarHBondContact O-N 3.44Å; C247-F250 VanDerWaalsContact O-N 3.15Å; H248-F250 VanDerWaalsContact C-N 3.33Å; H248-F250 PolarHBondContact O-N 3.39Å; F250-E252 PolarHBondContact O-N 3.05Å; F250-A253 PolarHBondContact O-N 2.83Å; F250-Y254 AromaticContact CD2-CD2 3.49Å; F250-Y254 HydrophobicContact CD2-CD2 3.49Å; F250-Y254 VanDerWaalsContact CD2-CD2 3.49Å; F250-Y254 AromaticContact CD2-CE2 3.89Å; F250-Y254 HydrophobicContact CD2-CE2 3.89Å; F250-Y254 HydrophobicContact CD2-CG 4.46Å; F250-Y254 AromaticContact CE2-CD2 3.73Å; F250-Y254 HydrophobicContact CE2-CD2 3.73Å; F250-Y254 HydrophobicContact CE2-CE2 4.23Å; F250-Y254 HydrophobicContact CE2-CG 4.33Å; F250-Y254 HydrophobicContact CG-CD2 4.01Å; F250-Y254 HydrophobicContact CZ-CD2 4.42Å; F250-Y254 WeakPolarHBondContact O-CB 3.49Å; F250-Y254 PolarHBondContact O-N 3.46Å; F250-I255 HydrophobicContact CD1-CD1 4.15Å; F250-I255 HydrophobicContact CE1-CD1 3.87Å; F250-I255 HydrophobicContact CE1-CG1 4.28Å |
| 251 | F | 92.3 | Very high | 84.8 | Confident | 123 Ų | 123 | 71.1 Ų | 71.1 | 54% | 0.539 | 35% | 0.352 | S | S | . | . | I | π-helix | trans | -59 | -47.8 | 176 | -83.2 | -72 | 0 | 0 | 0 | 111.5 | C247 H248 I255 G256 | C247-F251 WeakPolarHBondContact O-CD2 3.45Å; C247-F251 PolarHBondContact O-N 3.34Å; H248-F251 PolarHBondContact O-N 2.69Å; F251-I255 HydrophobicContact CD1-CB 4.26Å; F251-I255 HydrophobicContact CD1-CD1 3.46Å; F251-I255 VanDerWaalsContact CD1-CD1 3.46Å; F251-I255 HydrophobicContact CD1-CG1 4.41Å; F251-I255 HydrophobicContact CD1-CG2 4.43Å; F251-I255 HydrophobicContact CE1-CD1 3.52Å; F251-I255 HydrophobicContact CG-CD1 4.38Å; F251-I255 HydrophobicContact CZ-CD1 4.46Å; F251-I255 PolarHBondContact O-N 3.14Å; F251-G256 PolarHBondContact O-N 3.14Å |
| 252 | E | 90.1 | Very high | 82.8 | Confident | 121 Ų | 121 | 74.6 Ų | 74.6 | 57% | 0.565 | 37% | 0.372 | S | S | * | . | I | π-helix | trans | -66.6 | -44.4 | 179.5 | -70.6 | -166.8 | 141.5 | 0 | 0 | 113.1 | H248 F249 F250 | H248-E252 IonicContact CE1-OE1 2.97Å; H248-E252 PolarHBondContact CE1-OE1 3.12Å; H248-E252 VanDerWaalsContact CE1-OE1 3.24Å; H248-E252 IonicContact CE1-OE2 2.62Å; H248-E252 IonicContact ND1-OE2 3.37Å; H248-E252 IonicContact NE2-OE1 3.75Å; H248-E252 PolarHBondContact O-N 3.46Å; F249-E252 PolarHBondContact O-N 3.39Å; F250-E252 PolarHBondContact O-N 3.05Å |
| 253 | A | 87.8 | Confident | 80.7 | Confident | 26 Ų | 26 | 82.5 Ų | 82.5 | 22% | 0.215 | 41% | 0.407 | C | S | . | . | I | π-helix | trans | -76.8 | -33.6 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | R192 F249 F250 | R192-A253 PolarHBondContact NH2-O 3.38Å; F249-A253 HydrophobicContact CE1-CB 4.36Å; F249-A253 HydrophobicContact CE2-CB 4.36Å; F249-A253 HydrophobicContact CZ-CB 4.18Å; F249-A253 WeakPolarHBondContact O-CB 3.33Å; F249-A253 PolarHBondContact O-N 2.91Å; F250-A253 PolarHBondContact O-N 2.83Å |
| 254 | Y | 88.7 | Confident | 78.7 | Confident | 19 Ų | 19 | 85.4 Ų | 85.4 | 8% | 0.075 | 44% | 0.435 | C | S | . | . | I | π-helix | trans | -112.5 | -54.7 | -171.8 | -60.5 | -72.5 | 0 | 0 | 0 | 112.7 | R192 A195 M196 T199 F250 M258 | R192-Y254 HydrophobicContact CG-CE1 4.29Å; A195-Y254 PolarHBondContact O-OH 3.24Å; A195-Y254 VanDerWaalsContact O-OH 3.09Å; M196-Y254 HydrophobicContact CB-CD1 4.14Å; M196-Y254 HydrophobicContact CB-CE1 3.81Å; M196-Y254 HydrophobicContact CE-CD1 3.6Å; M196-Y254 HydrophobicContact CE-CE1 4.38Å; M196-Y254 HydrophobicContact CE-CG 3.92Å; M196-Y254 HydrophobicContact CG-CD1 4.25Å; M196-Y254 HydrophobicContact CG-CE1 4.35Å; M196-Y254 HydrophobicContact CG-CG 4.36Å; M196-Y254 PolarHBondContact N-OH 3.44Å; T199-Y254 HydrophobicContact CG2-CE2 4.2Å; T199-Y254 PolarHBondContact OG1-OH 2.97Å; F250-Y254 AromaticContact CD2-CD2 3.49Å; F250-Y254 HydrophobicContact CD2-CD2 3.49Å; F250-Y254 VanDerWaalsContact CD2-CD2 3.49Å; F250-Y254 AromaticContact CD2-CE2 3.89Å; F250-Y254 HydrophobicContact CD2-CE2 3.89Å; F250-Y254 HydrophobicContact CD2-CG 4.46Å; F250-Y254 AromaticContact CE2-CD2 3.73Å; F250-Y254 HydrophobicContact CE2-CD2 3.73Å; F250-Y254 HydrophobicContact CE2-CE2 4.23Å; F250-Y254 HydrophobicContact CE2-CG 4.33Å; F250-Y254 HydrophobicContact CG-CD2 4.01Å; F250-Y254 HydrophobicContact CZ-CD2 4.42Å; F250-Y254 WeakPolarHBondContact O-CB 3.49Å; F250-Y254 PolarHBondContact O-N 3.46Å; Y254-M258 WeakPolarHBondContact O-CG 3.36Å; Y254-M258 PolarHBondContact O-N 2.92Å |
| 255 | I | 85.9 | Confident | 76.1 | Confident | 66 Ų | 66 | 91.2 Ų | 91.2 | 34% | 0.338 | 46% | 0.456 | S | S | . | . | I | π-helix | trans | -78.9 | -46.5 | -173.1 | -63.6 | 170.1 | 0 | 0 | 0 | 111.2 | F250 F251 K257 M258 R259 | F250-I255 HydrophobicContact CD1-CD1 4.15Å; F250-I255 HydrophobicContact CE1-CD1 3.87Å; F250-I255 HydrophobicContact CE1-CG1 4.28Å; F251-I255 HydrophobicContact CD1-CB 4.26Å; F251-I255 HydrophobicContact CD1-CD1 3.46Å; F251-I255 VanDerWaalsContact CD1-CD1 3.46Å; F251-I255 HydrophobicContact CD1-CG1 4.41Å; F251-I255 HydrophobicContact CD1-CG2 4.43Å; F251-I255 HydrophobicContact CE1-CD1 3.52Å; F251-I255 HydrophobicContact CG-CD1 4.38Å; F251-I255 HydrophobicContact CZ-CD1 4.46Å; F251-I255 PolarHBondContact O-N 3.14Å; I255-K257 VanDerWaalsContact C-N 3.29Å; I255-K257 PolarHBondContact O-N 3.16Å; I255-M258 PolarHBondContact O-N 2.88Å; I255-M258 VanDerWaalsContact O-N 3.15Å; I255-R259 PolarHBondContact O-N 2.84Å |
| 256 | G | 76.1 | Confident | 75.2 | Confident | 31 Ų | 31 | 93.8 Ų | 93.8 | 32% | 0.32 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62 | -35.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | F251 K260 | F251-G256 PolarHBondContact O-N 3.14Å; G256-K260 PolarHBondContact O-N 3.24Å |
| 257 | K | 66.9 | Low | 74.1 | Confident | 128 Ų | 128 | 97.9 Ų | 97.9 | 56% | 0.557 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -68.7 | -41.6 | 172.9 | -89.9 | -173.4 | 175.2 | -179.7 | 0 | 112.9 | I255 K260 T261 | I255-K257 VanDerWaalsContact C-N 3.29Å; I255-K257 PolarHBondContact O-N 3.16Å; K257-K260 PolarHBondContact O-N 3.07Å; K257-T261 PolarHBondContact O-N 3.2Å; K257-T261 PolarHBondContact O-OG1 3.37Å |
| 258 | M | 61.9 | Low | 73 | Confident | 110 Ų | 110 | 101.1 Ų | 101.1 | 54% | 0.542 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.2 | -45.1 | 177.1 | -75.8 | 176.8 | 64.7 | 0 | 0 | 111.5 | Y254 I255 K260 T261 T262 | Y254-M258 WeakPolarHBondContact O-CG 3.36Å; Y254-M258 PolarHBondContact O-N 2.92Å; I255-M258 PolarHBondContact O-N 2.88Å; I255-M258 VanDerWaalsContact O-N 3.15Å; M258-K260 PolarHBondContact O-N 3.35Å; M258-T261 PolarHBondContact O-N 2.95Å; M258-T261 VanDerWaalsContact O-N 3.15Å; M258-T262 PolarHBondContact O-N 3.24Å; M258-T262 PolarHBondContact O-OG1 3Å; M258-T262 VanDerWaalsContact O-OG1 3.1Å |
| 259 | R | 59.2 | Low | 71.7 | Confident | 177 Ų | 177 | 100.8 Ų | 100.8 | 67% | 0.668 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61.3 | -28.4 | 176.3 | -82.3 | 179.1 | 87.8 | 172.8 | 6.2 | 114 | I255 K263 | I255-R259 PolarHBondContact O-N 2.84Å; R259-K263 WeakPolarHBondContact O-CB 3.5Å; R259-K263 WeakPolarHBondContact O-CG 3.26Å; R259-K263 PolarHBondContact O-N 3.46Å |
| 260 | K | 57.6 | Low | 70.3 | Confident | 166 Ų | 166 | 103.1 Ų | 103.1 | 72% | 0.722 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -76.9 | -35.4 | 175.9 | -75 | -173.8 | 179.8 | -173.2 | 0 | 112.4 | G256 K257 M258 A264 | G256-K260 PolarHBondContact O-N 3.24Å; K257-K260 PolarHBondContact O-N 3.07Å; M258-K260 PolarHBondContact O-N 3.35Å; K260-A264 PolarHBondContact O-N 3.47Å |
| 261 | T | 58.2 | Low | 68.8 | Low | 86 Ų | 86 | 108.1 Ų | 108.1 | 53% | 0.528 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -68.6 | -45.7 | 175.8 | -54.6 | 0 | 0 | 0 | 0 | 111.2 | K257 M258 K263 A264 E265 | K257-T261 PolarHBondContact O-N 3.2Å; K257-T261 PolarHBondContact O-OG1 3.37Å; M258-T261 PolarHBondContact O-N 2.95Å; M258-T261 VanDerWaalsContact O-N 3.15Å; T261-K263 PolarHBondContact O-N 3.37Å; T261-A264 PolarHBondContact O-N 2.86Å; T261-A264 VanDerWaalsContact O-N 3.11Å; T261-E265 PolarHBondContact O-N 3.22Å |
| 262 | T | 56.1 | Low | 67.1 | Low | 98 Ų | 98 | 107.1 Ų | 107.1 | 60% | 0.601 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -17.4 | 179 | -47.6 | 0 | 0 | 0 | 0 | 114.3 | M258 | M258-T262 PolarHBondContact O-N 3.24Å; M258-T262 PolarHBondContact O-OG1 3Å; M258-T262 VanDerWaalsContact O-OG1 3.1Å |
| 263 | K | 52.9 | Low | 65.3 | Low | 170 Ų | 170 | 106 Ų | 106 | 74% | 0.739 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | -10.4 | 174 | -80.9 | -171 | 173.4 | -164.6 | 0 | 113.6 | R259 T261 | R259-K263 WeakPolarHBondContact O-CB 3.5Å; R259-K263 WeakPolarHBondContact O-CG 3.26Å; R259-K263 PolarHBondContact O-N 3.46Å; T261-K263 PolarHBondContact O-N 3.37Å |
| 264 | A | 53.9 | Low | 63.4 | Low | 89 Ų | 89 | 112.7 Ų | 112.7 | 74% | 0.736 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.7 | -8.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | K260 T261 | K260-A264 PolarHBondContact O-N 3.47Å; T261-A264 PolarHBondContact O-N 2.86Å; T261-A264 VanDerWaalsContact O-N 3.11Å |
| 265 | E | 43.8 | Very low | 61.1 | Low | 212 Ų | 212 | 121.2 Ų | 121.2 | 99% | 0.991 | 61% | 0.613 | S | S | * | * | trans | -93.3 | 0 | 163.6 | -71.1 | 175.8 | 157 | 0 | 0 | 109.3 | T261 | T261-E265 PolarHBondContact O-N 3.22Š|
Retrieved 265 of 265 residues in 73.8 ms
(Link to these results)