| 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 | 35 | Very low | 72.8 | Confident | 236 Ų | 236 | 127.1 Ų | 127.1 | 100% | 1.163 | 65% | 0.647 | S | S | * | * | 0 | 114.2 | 0 | -56.4 | -175 | -155.5 | 0 | 0 | 106.2 | Q3 | M1-Q3 PolarHBondContact O-N 3.08Å; M1-Q3 VanDerWaalsContact O-N 3.13Å | |||
| 2 | T | 40.1 | Very low | 75 | Confident | 136 Ų | 136 | 122.7 Ų | 122.7 | 83% | 0.834 | 62% | 0.62 | S | S | * | * | trans | -69 | 103.6 | 169.3 | 33.7 | 0 | 0 | 0 | 0 | 106.6 | N4 | T2-N4 PolarHBondContact O-N 3.13Å; T2-N4 VanDerWaalsContact O-N 3.08Å | ||
| 3 | Q | 43.3 | Very low | 76.8 | Confident | 170 Ų | 170 | 113.2 Ų | 113.2 | 79% | 0.794 | 57% | 0.572 | S | S | * | * | trans | -56.5 | 117 | 167.1 | -76.2 | 178.6 | -18.5 | 0 | 0 | 106.3 | M1 I5 | M1-Q3 PolarHBondContact O-N 3.08Å; M1-Q3 VanDerWaalsContact O-N 3.13Å; Q3-I5 PolarHBondContact O-N 2.96Å | ||
| 4 | N | 50.7 | Low | 78.3 | Confident | 161 Ų | 161 | 105.1 Ų | 105.1 | 86% | 0.861 | 53% | 0.531 | S | S | * | . | trans | -64.2 | 94.1 | 168.9 | -90.9 | -23.4 | 0 | 0 | 0 | 106.4 | T2 R6 | T2-N4 PolarHBondContact O-N 3.13Å; T2-N4 VanDerWaalsContact O-N 3.08Å; N4-R6 VanDerWaalsContact C-N 3.34Å; N4-R6 PolarHBondContact O-N 2.86Å | ||
| 5 | I | 68.4 | Low | 79.7 | Confident | 149 Ų | 149 | 102.4 Ų | 102.4 | 76% | 0.764 | 52% | 0.524 | S | S | * | . | trans | -70.9 | 97.3 | 175.4 | -58.1 | 173.4 | 0 | 0 | 0 | 105.8 | Q3 | Q3-I5 PolarHBondContact O-N 2.96Š| ||
| 6 | R | 85.9 | Confident | 80.8 | Confident | 145 Ų | 145 | 102.1 Ų | 102.1 | 55% | 0.547 | 52% | 0.517 | S | S | . | . | P | Polyproline II helix | trans | -59.8 | 122.2 | 170.4 | -171.4 | 179.9 | 179 | -170.2 | -0.4 | 106.5 | N4 W58 | N4-R6 VanDerWaalsContact C-N 3.34Å; N4-R6 PolarHBondContact O-N 2.86Å; R6-W58 HydrophobicContact CB-CH2 4.44Å; R6-W58 HydrophobicContact CB-CZ2 3.76Å; R6-W58 HydrophobicContact CG-CD2 4.45Å; R6-W58 HydrophobicContact CG-CZ2 3.79Å; R6-W58 VanDerWaalsContact CZ-CB 3.43Å; R6-W58 WeakPolarHBondContact O-CZ2 3.43Å |
| 7 | P | 91.5 | Very high | 81.8 | Confident | 102 Ų | 102 | 96.9 Ų | 96.9 | 66% | 0.662 | 49% | 0.492 | S | S | * | . | P | Polyproline II helix | trans | -62.8 | 141.3 | -179.4 | 24.6 | -32.4 | 0 | 0 | 0 | 110 | W58 | P7-W58 PolarHBondContact O-NE1 2.93Š|
| 8 | L | 94.7 | Very high | 82.6 | Confident | 71 Ų | 71 | 94.7 Ų | 94.7 | 37% | 0.372 | 48% | 0.482 | S | S | . | . | P | Polyproline II helix | trans | -62.2 | 137.9 | 174.6 | -75.8 | 170 | 0 | 0 | 0 | 109.7 | L18 V40 P57 W58 | L8-L18 HydrophobicContact CD1-CD1 3.5Å; L8-L18 HydrophobicContact CD1-CG 4.46Å; L8-V40 HydrophobicContact CD2-CB 4.2Å; L8-V40 HydrophobicContact CD2-CG1 3.98Å; L8-V40 HydrophobicContact CD2-CG2 4.36Å; L8-P57 HydrophobicContact CD2-CB 4.02Å; L8-P57 HydrophobicContact CD2-CG 3.77Å; L8-W58 HydrophobicContact CD2-CH2 4.44Å; L8-W58 HydrophobicContact CD2-CZ2 4.3Å |
| 9 | P | 96.9 | Very high | 83.4 | Confident | 30 Ų | 30 | 97.2 Ų | 97.2 | 20% | 0.195 | 49% | 0.491 | C | S | . | . | P | Polyproline II helix | trans | -59.9 | 154.4 | 172 | -19.8 | 33.2 | 0 | 0 | 0 | 111.2 | F11 P57 W58 A61 | P9-F11 HydrophobicContact CB-CE2 4.07Å; P9-F11 HydrophobicContact CB-CZ 4Å; P9-F11 HydrophobicContact CG-CZ 4.36Å; P9-P57 HydrophobicContact CG-CB 4.22Å; P9-W58 HydrophobicContact CG-CB 4.5Å; P9-W58 VanDerWaalsContact CG-CD1 3.44Å; P9-W58 HydrophobicContact CG-CG 4.01Å; P9-A61 HydrophobicContact CB-CB 3.39Å; P9-A61 HydrophobicContact CG-CB 3.65Å |
| 10 | Q | 96.7 | Very high | 84 | Confident | 191 Ų | 191 | 93.3 Ų | 93.3 | 89% | 0.893 | 47% | 0.472 | S | S | * | . | P | Polyproline II helix | trans | -97.2 | 132.1 | 169.3 | -67.1 | -173.9 | -14.2 | 0 | 0 | 108.9 | ||
| 11 | F | 98.3 | Very high | 84.6 | Confident | 7 Ų | 7 | 91.2 Ų | 91.2 | 3% | 0.031 | 47% | 0.474 | C | S | . | . | trans | -110.1 | 118 | 176.6 | -58.2 | -84.7 | 0 | 0 | 0 | 108.1 | P9 Y13 H14 P15 P17 F23 P57 I60 A61 R110 P112 | P9-F11 HydrophobicContact CB-CE2 4.07Å; P9-F11 HydrophobicContact CB-CZ 4Å; P9-F11 HydrophobicContact CG-CZ 4.36Å; F11-Y13 VanDerWaalsContact C-N 3.28Å; F11-Y13 PolarHBondContact O-N 3.25Å; F11-H14 HydrophobicContact CB-CB 4.46Å; F11-H14 WeakPolarHBondContact CB-O 3.32Å; F11-H14 CarbonylContact O-C 3.59Å; F11-H14 PolarHBondContact O-N 2.9Å; F11-P15 WeakPolarHBondContact O-CA 2.94Å; F11-P17 HydrophobicContact CD2-CG 4.15Å; F11-P17 HydrophobicContact CE2-CG 4.36Å; F11-F23 AromaticContact CE2-CE2 3.69Å; F11-F23 HydrophobicContact CE2-CE2 3.69Å; F11-F23 AromaticContact CE2-CZ 3.64Å; F11-F23 HydrophobicContact CE2-CZ 3.64Å; F11-F23 HydrophobicContact CZ-CE2 4.27Å; F11-F23 AromaticContact CZ-CZ 3.82Å; F11-F23 HydrophobicContact CZ-CZ 3.82Å; F11-P57 HydrophobicContact CZ-CB 4.37Å; F11-P57 WeakPolarHBondContact CZ-O 3.41Å; F11-I60 HydrophobicContact CE1-CB 4.23Å; F11-I60 HydrophobicContact CE1-CG2 3.86Å; F11-I60 HydrophobicContact CZ-CB 4.43Å; F11-I60 HydrophobicContact CZ-CG2 4.43Å; F11-A61 HydrophobicContact CE1-CB 3.68Å; F11-A61 HydrophobicContact CZ-CB 3.94Å; F11-R110 WeakPolarHBondContact CD1-O 3.49Å; F11-R110 WeakPolarHBondContact CE1-O 3.32Å; F11-P112 HydrophobicContact CD1-CG 4.4Å; F11-P112 HydrophobicContact CD2-CG 4.34Å; F11-P112 HydrophobicContact CG-CG 4.27Å | ||
| 12 | K | 98.2 | Very high | 87.6 | Confident | 74 Ų | 74 | 80.4 Ų | 80.4 | 32% | 0.322 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -56.3 | -44.5 | -177.1 | -179.8 | -176.5 | 170.5 | -163.6 | 0 | 111.6 | E106 D128 L183 | K12-E106 VanDerWaalsContact CB-OE1 3.28Å; K12-E106 WeakPolarHBondContact CB-OE1 3.31Å; K12-D128 WeakPolarHBondContact CE-OD2 3.32Å; K12-D128 IonicContact NZ-OD1 3.48Å; K12-D128 PolarHBondContact NZ-OD1 2.83Å; K12-D128 IonicContact NZ-OD2 2.83Å; K12-D128 PolarHBondContact NZ-OD2 2.77Å; K12-L183 HydrophobicContact CD-CD1 4.12Å; K12-L183 HydrophobicContact CG-CD1 3.63Å |
| 13 | Y | 98.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 74.2 Ų | 74.2 | 0% | 0 | 38% | 0.384 | C | S | . | . | S | Bend | trans | -93.9 | -12 | -173.8 | -55.5 | -56.7 | 0 | 0 | 0 | 114 | F11 M103 E106 L107 W122 D128 F129 A131 F132 L183 | F11-Y13 VanDerWaalsContact C-N 3.28Å; F11-Y13 PolarHBondContact O-N 3.25Å; Y13-M103 PolarHBondContact OH-SD 3.27Å; Y13-E106 HydrophobicContact CD2-CG 4.39Å; Y13-E106 HydrophobicContact CE2-CB 4.17Å; Y13-E106 HydrophobicContact CE2-CG 4.1Å; Y13-L107 HydrophobicContact CD2-CB 3.99Å; Y13-L107 HydrophobicContact CD2-CD1 4.23Å; Y13-L107 HydrophobicContact CE2-CB 4.24Å; Y13-L107 HydrophobicContact CG-CD1 4.33Å; Y13-W122 WeakPolarHBondContact O-CZ2 3.09Å; Y13-D128 VanDerWaalsContact CE1-OD1 3.25Å; Y13-D128 WeakPolarHBondContact CE1-OD1 3.37Å; Y13-D128 PolarHBondContact OH-OD1 2.85Å; Y13-F129 HydrophobicContact CD1-CB 3.7Å; Y13-F129 WeakPolarHBondContact CD1-O 3.29Å; Y13-F129 HydrophobicContact CE1-CB 3.56Å; Y13-F129 HydrophobicContact CE1-CD2 4.14Å; Y13-F129 HydrophobicContact CE1-CG 4.34Å; Y13-F129 WeakPolarHBondContact CE1-O 3.24Å; Y13-F129 AromaticContact CE2-CD2 3.99Å; Y13-F129 HydrophobicContact CE2-CD2 3.99Å; Y13-F129 HydrophobicContact CG-CB 4.32Å; Y13-F129 AromaticContact CZ-CD2 3.72Å; Y13-A131 CarbonylContact O-C 3.57Å; Y13-A131 WeakPolarHBondContact O-CA 3.4Å; Y13-F132 PolarHBondContact O-N 2.67Å; Y13-L183 HydrophobicContact CD1-CD1 3.91Å; Y13-L183 HydrophobicContact CE1-CD1 3.76Å |
| 14 | H | 98.5 | Very high | 93 | Very high | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -138.8 | 70.9 | 172.9 | -166.2 | 165.8 | 0 | 0 | 0 | 110.4 | F11 K16 P17 T20 A22 T111 P112 G113 W122 F132 | F11-H14 HydrophobicContact CB-CB 4.46Å; F11-H14 WeakPolarHBondContact CB-O 3.32Å; F11-H14 CarbonylContact O-C 3.59Å; F11-H14 PolarHBondContact O-N 2.9Å; H14-K16 VanDerWaalsContact C-N 3.28Å; H14-K16 PolarHBondContact O-N 2.99Å; H14-K16 VanDerWaalsContact O-N 3.15Å; H14-P17 WeakPolarHBondContact O-CD 3.26Å; H14-T20 PolarHBondContact CE1-OG1 2.71Å; H14-T20 WeakPolarHBondContact NE2-CG2 3.34Å; H14-T20 PolarHBondContact NE2-OG1 2.95Å; H14-A22 WeakPolarHBondContact CE1-CB 3.42Å; H14-T111 HydrophobicContact CB-CG2 3.56Å; H14-P112 HydrophobicContact CB-CG 4.15Å; H14-P112 PolarHBondContact ND1-O 3.21Å; H14-G113 PolarHBondContact CE1-O 3.49Å; H14-G113 PolarHBondContact ND1-O 3.01Å; H14-W122 HydrophobicContact CB-CH2 4.5Å; H14-F132 AromaticContact CD2-CD1 3.82Å; H14-F132 AromaticContact CE1-CD1 3.59Å; H14-F132 AromaticContact CE1-CE1 3.93Å; H14-F132 AromaticContact NE2-CD1 3.42Å; H14-F132 WeakPolarHBondContact NE2-CD1 3.34Å; H14-F132 AromaticContact NE2-CE1 3.78Å |
| 15 | P | 98.2 | Very high | 95.1 | Very high | 64 Ų | 64 | 68 Ų | 68 | 42% | 0.416 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -69.3 | -17 | -163.3 | 25.9 | -36.6 | 0 | 0 | 0 | 115.7 | F11 A131 | F11-P15 WeakPolarHBondContact O-CA 2.94Å; P15-A131 HydrophobicContact CG-CB 4.08Å |
| 16 | K | 97.4 | Very high | 96.5 | Very high | 98 Ų | 98 | 66.6 Ų | 66.6 | 43% | 0.426 | 34% | 0.344 | S | S | . | . | trans | -133 | 57 | -174.1 | -70.6 | 162 | 159.4 | -99.1 | 0 | 112.2 | H14 L18 E19 T20 | H14-K16 VanDerWaalsContact C-N 3.28Å; H14-K16 PolarHBondContact O-N 2.99Å; H14-K16 VanDerWaalsContact O-N 3.15Å; K16-L18 PolarHBondContact O-N 3.48Å; K16-L18 VanDerWaalsContact O-N 3.16Å; K16-E19 HydrophobicContact CB-CB 4.09Å; K16-E19 HydrophobicContact CB-CG 4.21Å; K16-E19 WeakPolarHBondContact CD-OE2 3.36Å; K16-E19 IonicContact NZ-OE1 3.52Å; K16-E19 PolarHBondContact NZ-OE1 3.29Å; K16-E19 IonicContact NZ-OE2 3.19Å; K16-E19 PolarHBondContact NZ-OE2 2.82Å; K16-E19 PolarHBondContact O-N 2.99Å; K16-T20 PolarHBondContact O-N 2.71Å; K16-T20 VanDerWaalsContact O-N 3.11Å; K16-T20 PolarHBondContact O-OG1 3.16Å | ||
| 17 | P | 97.6 | Very high | 97 | Very high | 14 Ų | 14 | 64.3 Ų | 64.3 | 9% | 0.091 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -65.1 | -24.2 | -171 | 27.8 | -33.5 | 0 | 0 | 0 | 113.5 | F11 H14 T20 G21 A22 F23 P112 | F11-P17 HydrophobicContact CD2-CG 4.15Å; F11-P17 HydrophobicContact CE2-CG 4.36Å; H14-P17 WeakPolarHBondContact O-CD 3.26Å; P17-T20 WeakPolarHBondContact CA-OG1 3.26Å; P17-T20 PolarHBondContact O-OG1 3.12Å; P17-T20 VanDerWaalsContact O-OG1 3.13Å; P17-G21 PolarHBondContact O-N 2.89Å; P17-A22 HydrophobicContact CB-CB 4.2Å; P17-A22 PolarHBondContact O-N 3.44Å; P17-F23 HydrophobicContact CB-CB 4.48Å; P17-F23 HydrophobicContact CB-CD1 4.18Å; P17-F23 HydrophobicContact CB-CD2 3.63Å; P17-F23 HydrophobicContact CB-CE1 4.28Å; P17-F23 HydrophobicContact CB-CE2 3.75Å; P17-F23 HydrophobicContact CB-CG 3.84Å; P17-F23 HydrophobicContact CB-CZ 4.07Å; P17-F23 HydrophobicContact CG-CD2 3.37Å; P17-F23 HydrophobicContact CG-CE2 3.26Å; P17-F23 HydrophobicContact CG-CG 4.12Å; P17-F23 HydrophobicContact CG-CZ 3.95Å; P17-F23 PolarHBondContact O-N 2.98Å; P17-P112 HydrophobicContact CB-CG 4.09Å |
| 18 | L | 97 | Very high | 97.2 | Very high | 57 Ų | 57 | 63.8 Ų | 63.8 | 30% | 0.298 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -72.4 | -36.2 | 171.2 | -77.8 | 170.7 | 0 | 0 | 0 | 113.2 | L8 K16 F23 Q25 V40 | L8-L18 HydrophobicContact CD1-CD1 3.5Å; L8-L18 HydrophobicContact CD1-CG 4.46Å; K16-L18 PolarHBondContact O-N 3.48Å; K16-L18 VanDerWaalsContact O-N 3.16Å; L18-F23 HydrophobicContact CD2-CB 3.79Å; L18-F23 HydrophobicContact CG-CB 4.17Å; L18-Q25 HydrophobicContact CD2-CB 4.26Å; L18-Q25 HydrophobicContact CD2-CG 4.2Å; L18-V40 HydrophobicContact CD2-CG1 3.99Å |
| 19 | E | 97 | Very high | 97.4 | Very high | 142 Ų | 142 | 60.9 Ų | 60.9 | 66% | 0.664 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -77.4 | -31.1 | -178.5 | -61.8 | 177.8 | -154.2 | 0 | 0 | 111.4 | K16 G21 | K16-E19 HydrophobicContact CB-CB 4.09Å; K16-E19 HydrophobicContact CB-CG 4.21Å; K16-E19 WeakPolarHBondContact CD-OE2 3.36Å; K16-E19 IonicContact NZ-OE1 3.52Å; K16-E19 PolarHBondContact NZ-OE1 3.29Å; K16-E19 IonicContact NZ-OE2 3.19Å; K16-E19 PolarHBondContact NZ-OE2 2.82Å; K16-E19 PolarHBondContact O-N 2.99Å; E19-G21 VanDerWaalsContact C-N 3.31Å |
| 20 | T | 97.1 | Very high | 97.4 | Very high | 18 Ų | 18 | 64.2 Ų | 64.2 | 11% | 0.11 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -77.5 | -19.8 | 174.5 | 58.9 | 0 | 0 | 0 | 0 | 112.4 | H14 K16 P17 F132 Y135 | H14-T20 PolarHBondContact CE1-OG1 2.71Å; H14-T20 WeakPolarHBondContact NE2-CG2 3.34Å; H14-T20 PolarHBondContact NE2-OG1 2.95Å; K16-T20 PolarHBondContact O-N 2.71Å; K16-T20 VanDerWaalsContact O-N 3.11Å; K16-T20 PolarHBondContact O-OG1 3.16Å; P17-T20 WeakPolarHBondContact CA-OG1 3.26Å; P17-T20 PolarHBondContact O-OG1 3.12Å; P17-T20 VanDerWaalsContact O-OG1 3.13Å; T20-F132 HydrophobicContact CG2-CD1 4.2Å; T20-F132 HydrophobicContact CG2-CE1 3.82Å; T20-Y135 WeakPolarHBondContact O-CE2 3.21Å |
| 21 | G | 96.6 | Very high | 97.5 | Very high | 50 Ų | 50 | 55.1 Ų | 55.1 | 52% | 0.515 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.4 | 6.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | P17 E19 F23 | P17-G21 PolarHBondContact O-N 2.89Å; E19-G21 VanDerWaalsContact C-N 3.31Å; G21-F23 VanDerWaalsContact C-N 3.27Å; G21-F23 PolarHBondContact O-N 2.67Å |
| 22 | A | 97.4 | Very high | 97.6 | Very high | 9 Ų | 9 | 57.4 Ų | 57.4 | 7% | 0.074 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -65.1 | -33 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | H14 P17 Y42 | H14-A22 WeakPolarHBondContact CE1-CB 3.42Å; P17-A22 HydrophobicContact CB-CB 4.2Å; P17-A22 PolarHBondContact O-N 3.44Å; A22-Y42 HydrophobicContact CB-CE2 4.32Å; A22-Y42 WeakPolarHBondContact O-CD2 3.32Å |
| 23 | F | 98 | Very high | 97.6 | Very high | 7 Ų | 7 | 54.7 Ų | 54.7 | 3% | 0.031 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 134 | 167 | -67.5 | -15.6 | 0 | 0 | 0 | 111.6 | F11 P17 L18 G21 V40 Y41 Y42 P57 I60 P112 | F11-F23 AromaticContact CE2-CE2 3.69Å; F11-F23 HydrophobicContact CE2-CE2 3.69Å; F11-F23 AromaticContact CE2-CZ 3.64Å; F11-F23 HydrophobicContact CE2-CZ 3.64Å; F11-F23 HydrophobicContact CZ-CE2 4.27Å; F11-F23 AromaticContact CZ-CZ 3.82Å; F11-F23 HydrophobicContact CZ-CZ 3.82Å; P17-F23 HydrophobicContact CB-CB 4.48Å; P17-F23 HydrophobicContact CB-CD1 4.18Å; P17-F23 HydrophobicContact CB-CD2 3.63Å; P17-F23 HydrophobicContact CB-CE1 4.28Å; P17-F23 HydrophobicContact CB-CE2 3.75Å; P17-F23 HydrophobicContact CB-CG 3.84Å; P17-F23 HydrophobicContact CB-CZ 4.07Å; P17-F23 HydrophobicContact CG-CD2 3.37Å; P17-F23 HydrophobicContact CG-CE2 3.26Å; P17-F23 HydrophobicContact CG-CG 4.12Å; P17-F23 HydrophobicContact CG-CZ 3.95Å; P17-F23 PolarHBondContact O-N 2.98Å; L18-F23 HydrophobicContact CD2-CB 3.79Å; L18-F23 HydrophobicContact CG-CB 4.17Å; G21-F23 VanDerWaalsContact C-N 3.27Å; G21-F23 PolarHBondContact O-N 2.67Å; F23-V40 HydrophobicContact CB-CG1 3.85Å; F23-V40 HydrophobicContact CD2-CG1 3.9Å; F23-V40 HydrophobicContact CG-CG1 4.1Å; F23-Y41 CarbonylContact C-O 3.46Å; F23-Y41 VanDerWaalsContact CA-O 3.26Å; F23-Y41 WeakPolarHBondContact CA-O 3.5Å; F23-Y42 AromaticContact CD1-CD2 3.9Å; F23-Y42 HydrophobicContact CD1-CD2 3.9Å; F23-Y42 HydrophobicContact CD1-CG 4.35Å; F23-Y42 AromaticContact CE1-CD2 3.86Å; F23-Y42 HydrophobicContact CE1-CD2 3.86Å; F23-Y42 HydrophobicContact CE1-CG 4.2Å; F23-P57 HydrophobicContact CD2-CB 4.4Å; F23-P57 HydrophobicContact CD2-CG 3.83Å; F23-P57 HydrophobicContact CE1-CG 4.4Å; F23-P57 HydrophobicContact CE2-CB 3.59Å; F23-P57 HydrophobicContact CE2-CG 3.5Å; F23-P57 HydrophobicContact CG-CG 4.43Å; F23-P57 HydrophobicContact CZ-CB 3.76Å; F23-P57 HydrophobicContact CZ-CG 3.83Å; F23-I60 HydrophobicContact CE1-CD1 3.89Å; F23-I60 HydrophobicContact CZ-CD1 4.3Å; F23-P112 HydrophobicContact CE1-CB 3.78Å; F23-P112 HydrophobicContact CE1-CG 3.98Å; F23-P112 HydrophobicContact CZ-CB 4.2Å; F23-P112 HydrophobicContact CZ-CG 3.9Å |
| 24 | E | 97.7 | Very high | 97.5 | Very high | 71 Ų | 71 | 56.7 Ų | 56.7 | 33% | 0.332 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 154.8 | 171 | -67.5 | 173.2 | -129.7 | 0 | 0 | 110.4 | V40 Y41 S43 | E24-V40 WeakPolarHBondContact O-CA 3.15Å; E24-Y41 HydrophobicContact CB-CD1 4.45Å; E24-Y41 HydrophobicContact CB-CD2 4.21Å; E24-Y41 HydrophobicContact CB-CE1 3.92Å; E24-Y41 HydrophobicContact CB-CE2 3.63Å; E24-Y41 VanDerWaalsContact CB-CZ 3.46Å; E24-Y41 HydrophobicContact CG-CE2 4.2Å; E24-Y41 PolarHBondContact N-O 3.15Å; E24-Y41 PolarHBondContact O-N 2.83Å; E24-Y41 VanDerWaalsContact O-N 3.12Å; E24-Y41 WeakPolarHBondContact OE2-CE2 3.48Å; E24-Y41 VanDerWaalsContact OE2-CZ 3.32Å; E24-Y41 PolarHBondContact OE2-OH 2.59Å; E24-S43 WeakPolarHBondContact OE1-CB 3.45Å; E24-S43 PolarHBondContact OE1-OG 3.33Å |
| 25 | Q | 96.2 | Very high | 97.5 | Very high | 129 Ų | 129 | 62.9 Ų | 62.9 | 60% | 0.603 | 33% | 0.334 | S | S | * | . | trans | -149.6 | 23 | -178.6 | 62.8 | 175.6 | -21.6 | 0 | 0 | 113.2 | L18 S39 V40 | L18-Q25 HydrophobicContact CD2-CB 4.26Å; L18-Q25 HydrophobicContact CD2-CG 4.2Å; Q25-S39 WeakPolarHBondContact CA-O 3.29Å; Q25-V40 HydrophobicContact CB-CG2 4.38Å | ||
| 26 | D | 96.3 | Very high | 97.5 | Very high | 120 Ų | 120 | 66 Ų | 66 | 64% | 0.642 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -82.8 | -21.6 | -177 | 64.5 | -51.7 | 0 | 0 | 0 | 113.2 | Y41 | D26-Y41 PolarHBondContact OD1-OH 3.43Š|
| 27 | K | 96.4 | Very high | 97.5 | Very high | 97 Ų | 97 | 67 Ų | 67 | 42% | 0.422 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -144.6 | 169.3 | 179.3 | 55.4 | 173.2 | 174.9 | 166.5 | 0 | 112.3 | V29 Y41 H54 | K27-V29 HydrophobicContact CD-CG1 3.81Å; K27-V29 HydrophobicContact CG-CG1 3.9Å; K27-Y41 WeakPolarHBondContact CE-OH 3.19Å; K27-Y41 HydrophobicContact CG-CE1 3.89Å; K27-H54 PolarHBondContact NZ-NE2 2.96Å |
| 28 | T | 97.3 | Very high | 97.4 | Very high | 90 Ų | 90 | 66.7 Ų | 66.7 | 55% | 0.552 | 35% | 0.347 | S | S | * | . | trans | -95 | 131.1 | 166.6 | -56.5 | 0 | 0 | 0 | 0 | 109.1 | Q37 T38 | T28-Q37 HydrophobicContact CG2-CB 4.17Å; T28-T38 CarbonylContact C-O 3.29Å; T28-T38 WeakPolarHBondContact CA-O 3.42Å; T28-T38 WeakPolarHBondContact CG2-O 3.38Å | ||
| 29 | V | 97.6 | Very high | 97.4 | Very high | 11 Ų | 11 | 67.3 Ų | 67.3 | 7% | 0.067 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 165.9 | 179.2 | -58.7 | 0 | 0 | 0 | 0 | 110.5 | K27 Q37 T38 Y41 H54 | K27-V29 HydrophobicContact CD-CG1 3.81Å; K27-V29 HydrophobicContact CG-CG1 3.9Å; V29-Q37 CarbonylContact O-C 3.58Å; V29-Q37 WeakPolarHBondContact O-CA 3.28Å; V29-T38 HydrophobicContact CG2-CG2 3.97Å; V29-T38 PolarHBondContact N-O 3.48Å; V29-T38 PolarHBondContact O-N 3.07Å; V29-Y41 HydrophobicContact CB-CD1 4.48Å; V29-Y41 HydrophobicContact CG1-CD1 4.17Å; V29-Y41 HydrophobicContact CG1-CE1 3.96Å; V29-Y41 HydrophobicContact CG2-CD1 3.48Å; V29-Y41 VanDerWaalsContact CG2-CD1 3.48Å; V29-Y41 HydrophobicContact CG2-CD2 4.22Å; V29-Y41 HydrophobicContact CG2-CE1 4.15Å; V29-Y41 HydrophobicContact CG2-CG 3.52Å; V29-H54 HydrophobicContact CB-CB 4.37Å; V29-H54 HydrophobicContact CG2-CB 3.85Å |
| 30 | E | 98.3 | Very high | 97.4 | Very high | 100 Ų | 100 | 61.3 Ų | 61.3 | 47% | 0.467 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 136.8 | 168.5 | -167 | 161.1 | 101.3 | 0 | 0 | 109.5 | Q37 | E30-Q37 PolarHBondContact OE2-NE2 3.28Å |
| 31 | C | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 32% | 0.324 | C | S | . | . | trans | -78.7 | 122.9 | 173.6 | 176.3 | 0 | 0 | 0 | 0 | 110.2 | C33 C34 E35 Q36 H54 C56 | C31-C33 PolarHBondContact O-N 3.38Å; C31-C33 VanDerWaalsContact O-N 3.11Å; C31-C33 PolarHBondContact SG-N 2.89Å; C31-C34 PolarHBondContact O-N 3.11Å; C31-C34 VanDerWaalsContact SG-SG 3.6Å; C31-E35 VanDerWaalsContact O-CA 3.24Å; C31-E35 WeakPolarHBondContact O-CA 3.42Å; C31-E35 PolarHBondContact O-N 3.27Å; C31-Q36 PolarHBondContact N-O 3.41Å; C31-H54 WeakPolarHBondContact CA-O 3.21Å; C31-C56 HydrophobicContact CB-CB 3.92Å; C31-C56 PolarHBondContact SG-N 3.39Å; C31-C56 VanDerWaalsContact SG-SG 3.61Å | ||
| 32 | D | 98.5 | Very high | 97.6 | Very high | 55 Ų | 55 | 58.1 Ų | 58.1 | 29% | 0.294 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -24.8 | 179.4 | -63.1 | -41.3 | 0 | 0 | 0 | 112.6 | V52 E53 H54 K68 F69 | D32-V52 HydrophobicContact CB-CG1 4.25Å; D32-E53 PolarHBondContact OD2-N 2.81Å; D32-H54 PolarHBondContact N-O 2.91Å; D32-H54 PolarHBondContact OD2-N 3.49Å; D32-K68 PolarHBondContact O-NZ 3.43Å; D32-F69 HydrophobicContact CB-CZ 4.04Å; D32-F69 WeakPolarHBondContact O-CZ 3.33Å |
| 33 | C | 98.5 | Very high | 97.6 | Very high | 16 Ų | 16 | 60 Ų | 60 | 11% | 0.108 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -56.8 | 178 | -175.4 | 0 | 0 | 0 | 0 | 112.9 | C31 L55 C59 S64 A65 K68 F69 | C31-C33 PolarHBondContact O-N 3.38Å; C31-C33 VanDerWaalsContact O-N 3.11Å; C31-C33 PolarHBondContact SG-N 2.89Å; C33-L55 HydrophobicContact CB-CD2 3.91Å; C33-C59 HydrophobicContact CB-CB 3.83Å; C33-S64 VanDerWaalsContact SG-C 3.52Å; C33-S64 PolarHBondContact SG-O 3.49Å; C33-A65 HydrophobicContact CB-CB 4.23Å; C33-A65 VanDerWaalsContact SG-CA 3.6Å; C33-K68 HydrophobicContact CB-CD 4.49Å; C33-K68 PolarHBondContact O-NZ 3.14Å; C33-F69 HydrophobicContact CB-CE2 3.99Å |
| 34 | C | 98.2 | Very high | 97.4 | Very high | 43 Ų | 43 | 60.1 Ų | 60.1 | 29% | 0.291 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110 | 0.4 | -169.6 | 66.9 | 0 | 0 | 0 | 0 | 114.8 | C31 Q36 C59 | C31-C34 PolarHBondContact O-N 3.11Å; C31-C34 VanDerWaalsContact SG-SG 3.6Å; C34-Q36 HydrophobicContact CB-CG 4.33Å; C34-Q36 PolarHBondContact O-N 2.79Å; C34-Q36 PolarHBondContact O-NE2 3.11Å; C34-C59 VanDerWaalsContact CB-SG 3.56Å |
| 35 | E | 98.2 | Very high | 97.4 | Very high | 130 Ų | 130 | 58.1 Ų | 58.1 | 61% | 0.607 | 31% | 0.308 | S | S | * | . | trans | 58.7 | 15.4 | 179 | -56.9 | 168.9 | -171.7 | 0 | 0 | 113 | C31 | C31-E35 VanDerWaalsContact O-CA 3.24Å; C31-E35 WeakPolarHBondContact O-CA 3.42Å; C31-E35 PolarHBondContact O-N 3.27Å | ||
| 36 | Q | 97.2 | Very high | 97.4 | Very high | 128 Ų | 128 | 53.6 Ų | 53.6 | 60% | 0.598 | 29% | 0.287 | S | S | * | . | trans | -89.5 | 143.2 | 176.3 | -58.5 | -53.6 | -61 | 0 | 0 | 110.5 | C31 C34 | C31-Q36 PolarHBondContact N-O 3.41Å; C34-Q36 HydrophobicContact CB-CG 4.33Å; C34-Q36 PolarHBondContact O-N 2.79Å; C34-Q36 PolarHBondContact O-NE2 3.11Å | ||
| 37 | Q | 97.2 | Very high | 97.5 | Very high | 119 Ų | 119 | 56.9 Ų | 56.9 | 56% | 0.556 | 29% | 0.291 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 132.5 | 172.7 | -65.4 | -71.2 | -47.1 | 0 | 0 | 110.5 | T28 V29 E30 | T28-Q37 HydrophobicContact CG2-CB 4.17Å; V29-Q37 CarbonylContact O-C 3.58Å; V29-Q37 WeakPolarHBondContact O-CA 3.28Å; E30-Q37 PolarHBondContact OE2-NE2 3.28Å |
| 38 | T | 96.8 | Very high | 97.5 | Very high | 9 Ų | 9 | 53.5 Ų | 53.5 | 6% | 0.055 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 143.4 | 177.9 | -173.9 | 0 | 0 | 0 | 0 | 111 | T28 V29 V40 C56 | T28-T38 CarbonylContact C-O 3.29Å; T28-T38 WeakPolarHBondContact CA-O 3.42Å; T28-T38 WeakPolarHBondContact CG2-O 3.38Å; V29-T38 HydrophobicContact CG2-CG2 3.97Å; V29-T38 PolarHBondContact N-O 3.48Å; V29-T38 PolarHBondContact O-N 3.07Å; T38-V40 VanDerWaalsContact CG2-O 3.29Å; T38-V40 WeakPolarHBondContact CG2-O 3.38Å; T38-V40 PolarHBondContact OG1-N 2.99Å; T38-V40 PolarHBondContact OG1-O 3.27Å; T38-C56 HydrophobicContact CG2-CB 3.78Å |
| 39 | S | 96.5 | Very high | 97.4 | Very high | 70 Ų | 70 | 55.7 Ų | 55.7 | 49% | 0.49 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -98.7 | 2.3 | 173.3 | 67 | 0 | 0 | 0 | 0 | 113.1 | Q25 | Q25-S39 WeakPolarHBondContact CA-O 3.29Š|
| 40 | V | 97.7 | Very high | 97.4 | Very high | 15 Ų | 15 | 59.2 Ų | 59.2 | 9% | 0.091 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -131.3 | 126.2 | 172.8 | -176.1 | 0 | 0 | 0 | 0 | 106.6 | L8 L18 F23 E24 Q25 T38 P57 | L8-V40 HydrophobicContact CD2-CB 4.2Å; L8-V40 HydrophobicContact CD2-CG1 3.98Å; L8-V40 HydrophobicContact CD2-CG2 4.36Å; L18-V40 HydrophobicContact CD2-CG1 3.99Å; F23-V40 HydrophobicContact CB-CG1 3.85Å; F23-V40 HydrophobicContact CD2-CG1 3.9Å; F23-V40 HydrophobicContact CG-CG1 4.1Å; E24-V40 WeakPolarHBondContact O-CA 3.15Å; Q25-V40 HydrophobicContact CB-CG2 4.38Å; T38-V40 VanDerWaalsContact CG2-O 3.29Å; T38-V40 WeakPolarHBondContact CG2-O 3.38Å; T38-V40 PolarHBondContact OG1-N 2.99Å; T38-V40 PolarHBondContact OG1-O 3.27Å; V40-P57 HydrophobicContact CB-CG 4.21Å; V40-P57 HydrophobicContact CG1-CG 3.77Å; V40-P57 WeakPolarHBondContact O-CD 3.27Å |
| 41 | Y | 98 | Very high | 97.3 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 162.5 | -174.1 | 62.5 | -88.6 | 0 | 0 | 0 | 111.5 | F23 E24 D26 K27 V29 S43 H54 L55 | F23-Y41 CarbonylContact C-O 3.46Å; F23-Y41 VanDerWaalsContact CA-O 3.26Å; F23-Y41 WeakPolarHBondContact CA-O 3.5Å; E24-Y41 HydrophobicContact CB-CD1 4.45Å; E24-Y41 HydrophobicContact CB-CD2 4.21Å; E24-Y41 HydrophobicContact CB-CE1 3.92Å; E24-Y41 HydrophobicContact CB-CE2 3.63Å; E24-Y41 VanDerWaalsContact CB-CZ 3.46Å; E24-Y41 HydrophobicContact CG-CE2 4.2Å; E24-Y41 PolarHBondContact N-O 3.15Å; E24-Y41 PolarHBondContact O-N 2.83Å; E24-Y41 VanDerWaalsContact O-N 3.12Å; E24-Y41 WeakPolarHBondContact OE2-CE2 3.48Å; E24-Y41 VanDerWaalsContact OE2-CZ 3.32Å; E24-Y41 PolarHBondContact OE2-OH 2.59Å; D26-Y41 PolarHBondContact OD1-OH 3.43Å; K27-Y41 WeakPolarHBondContact CE-OH 3.19Å; K27-Y41 HydrophobicContact CG-CE1 3.89Å; V29-Y41 HydrophobicContact CB-CD1 4.48Å; V29-Y41 HydrophobicContact CG1-CD1 4.17Å; V29-Y41 HydrophobicContact CG1-CE1 3.96Å; V29-Y41 HydrophobicContact CG2-CD1 3.48Å; V29-Y41 VanDerWaalsContact CG2-CD1 3.48Å; V29-Y41 HydrophobicContact CG2-CD2 4.22Å; V29-Y41 HydrophobicContact CG2-CE1 4.15Å; V29-Y41 HydrophobicContact CG2-CG 3.52Å; Y41-S43 VanDerWaalsContact CE2-OG 3.26Å; Y41-S43 WeakPolarHBondContact CE2-OG 3.48Å; Y41-H54 AromaticContact CD2-ND1 3.5Å; Y41-H54 WeakPolarHBondContact CD2-ND1 3.19Å; Y41-H54 AromaticContact CE2-CE1 3.75Å; Y41-H54 AromaticContact CE2-ND1 3.63Å; Y41-L55 CarbonylContact C-O 3.57Å; Y41-L55 WeakPolarHBondContact CA-O 3.4Å |
| 42 | Y | 98.4 | Very high | 97.2 | Very high | 2 Ų | 2 | 64.5 Ų | 64.5 | 1% | 0.008 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 132.5 | 175.9 | -177.3 | -101.9 | 0 | 0 | 0 | 108.9 | A22 F23 G44 P45 F46 L55 I60 F73 P112 G113 | A22-Y42 HydrophobicContact CB-CE2 4.32Å; A22-Y42 WeakPolarHBondContact O-CD2 3.32Å; F23-Y42 AromaticContact CD1-CD2 3.9Å; F23-Y42 HydrophobicContact CD1-CD2 3.9Å; F23-Y42 HydrophobicContact CD1-CG 4.35Å; F23-Y42 AromaticContact CE1-CD2 3.86Å; F23-Y42 HydrophobicContact CE1-CD2 3.86Å; F23-Y42 HydrophobicContact CE1-CG 4.2Å; Y42-G44 VanDerWaalsContact CE1-C 3.44Å; Y42-G44 WeakPolarHBondContact CE2-O 3.46Å; Y42-G44 PolarHBondContact OH-O 3.16Å; Y42-P45 WeakPolarHBondContact CE1-O 3.4Å; Y42-P45 VanDerWaalsContact CZ-O 3.27Å; Y42-P45 WeakPolarHBondContact OH-CD 3.37Å; Y42-P45 PolarHBondContact OH-O 2.93Å; Y42-F46 HydrophobicContact CE1-CB 4.26Å; Y42-L55 PolarHBondContact N-O 3.4Å; Y42-L55 PolarHBondContact O-N 3.41Å; Y42-I60 HydrophobicContact CD1-CD1 4.1Å; Y42-I60 HydrophobicContact CD2-CD1 4.46Å; Y42-I60 HydrophobicContact CG-CD1 3.81Å; Y42-F73 HydrophobicContact CD1-CD1 4.14Å; Y42-F73 AromaticContact CD1-CE1 3.94Å; Y42-F73 HydrophobicContact CD1-CE1 3.94Å; Y42-F73 AromaticContact CE1-CD1 3.55Å; Y42-F73 HydrophobicContact CE1-CD1 3.55Å; Y42-F73 AromaticContact CE1-CE1 3.81Å; Y42-F73 HydrophobicContact CE1-CE1 3.81Å; Y42-P112 HydrophobicContact CD2-CB 3.75Å; Y42-P112 HydrophobicContact CE2-CB 3.56Å; Y42-G113 VanDerWaalsContact OH-CA 3.31Å; Y42-G113 WeakPolarHBondContact OH-CA 3.31Å; Y42-G113 PolarHBondContact OH-N 3.18Å |
| 43 | S | 97.1 | Very high | 97.2 | Very high | 48 Ų | 48 | 67.6 Ų | 67.6 | 34% | 0.336 | 35% | 0.35 | S | S | . | . | trans | -108.5 | -2.5 | -178.3 | -50.4 | 0 | 0 | 0 | 0 | 113.6 | E24 Y41 E53 | E24-S43 WeakPolarHBondContact OE1-CB 3.45Å; E24-S43 PolarHBondContact OE1-OG 3.33Å; Y41-S43 VanDerWaalsContact CE2-OG 3.26Å; Y41-S43 WeakPolarHBondContact CE2-OG 3.48Å; S43-E53 WeakPolarHBondContact CA-O 3.2Å | ||
| 44 | G | 95.6 | Very high | 97.2 | Very high | 9 Ų | 9 | 68.1 Ų | 68.1 | 9% | 0.093 | 35% | 0.351 | C | S | . | . | trans | 139.1 | 171.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113 | Y42 H115 | Y42-G44 VanDerWaalsContact CE1-C 3.44Å; Y42-G44 WeakPolarHBondContact CE2-O 3.46Å; Y42-G44 PolarHBondContact OH-O 3.16Å; G44-H115 VanDerWaalsContact C-NE2 3.33Å; G44-H115 PolarHBondContact O-NE2 2.87Å | ||
| 45 | P | 96 | Very high | 97.2 | Very high | 30 Ų | 30 | 66.2 Ų | 66.2 | 20% | 0.195 | 34% | 0.338 | C | S | . | . | cis | -71.1 | 139.5 | -2.4 | 30 | -36.2 | 0 | 0 | 0 | 113.9 | Y42 Y114 | Y42-P45 WeakPolarHBondContact CE1-O 3.4Å; Y42-P45 VanDerWaalsContact CZ-O 3.27Å; Y42-P45 WeakPolarHBondContact OH-CD 3.37Å; Y42-P45 PolarHBondContact OH-O 2.93Å; P45-Y114 WeakPolarHBondContact CD-O 3.42Å; P45-Y114 VanDerWaalsContact CG-O 3.25Å; P45-Y114 WeakPolarHBondContact CG-O 3.33Å | ||
| 46 | F | 97.7 | Very high | 97.2 | Very high | 34 Ų | 34 | 60.2 Ų | 60.2 | 15% | 0.149 | 31% | 0.31 | C | S | . | . | trans | -144.5 | 111 | 171 | -178.3 | -119.2 | 0 | 0 | 0 | 108.4 | Y42 C48 V52 L55 F69 S72 F73 | Y42-F46 HydrophobicContact CE1-CB 4.26Å; F46-C48 HydrophobicContact CD1-CB 4.29Å; F46-C48 HydrophobicContact CE1-CB 3.89Å; F46-C48 HydrophobicContact CZ-CB 4.42Å; F46-V52 HydrophobicContact CD1-CB 4.14Å; F46-V52 HydrophobicContact CD1-CG1 4.06Å; F46-V52 HydrophobicContact CD1-CG2 4.37Å; F46-V52 HydrophobicContact CE1-CB 4.49Å; F46-V52 HydrophobicContact CE1-CG1 4.4Å; F46-V52 HydrophobicContact CE1-CG2 4.24Å; F46-L55 HydrophobicContact CD1-CD1 3.89Å; F46-L55 HydrophobicContact CD2-CD1 4.37Å; F46-L55 HydrophobicContact CE1-CD1 4.09Å; F46-L55 HydrophobicContact CG-CD1 4.04Å; F46-L55 HydrophobicContact CZ-CD1 4.42Å; F46-F69 HydrophobicContact CE1-CB 3.85Å; F46-F69 AromaticContact CE1-CD2 3.95Å; F46-F69 HydrophobicContact CE1-CD2 3.95Å; F46-F69 HydrophobicContact CE1-CG 4.21Å; F46-F69 HydrophobicContact CZ-CB 4.04Å; F46-F69 HydrophobicContact CZ-CD2 4.32Å; F46-S72 CarbonylContact C-O 3.58Å; F46-S72 WeakPolarHBondContact CA-O 3.38Å; F46-S72 VanDerWaalsContact CD2-O 3.31Å; F46-S72 WeakPolarHBondContact CD2-O 3.22Å; F46-F73 HydrophobicContact CB-CD1 4.39Å; F46-F73 HydrophobicContact CB-CE1 4.39Å; F46-F73 AromaticContact CD2-CD1 3.6Å; F46-F73 HydrophobicContact CD2-CD1 3.6Å; F46-F73 HydrophobicContact CD2-CD2 4.06Å; F46-F73 AromaticContact CD2-CE1 3.46Å; F46-F73 HydrophobicContact CD2-CE1 3.46Å; F46-F73 VanDerWaalsContact CD2-CE1 3.46Å; F46-F73 AromaticContact CD2-CE2 3.94Å; F46-F73 HydrophobicContact CD2-CE2 3.94Å; F46-F73 AromaticContact CD2-CG 3.89Å; F46-F73 HydrophobicContact CD2-CG 3.89Å; F46-F73 AromaticContact CD2-CZ 3.62Å; F46-F73 HydrophobicContact CD2-CZ 3.62Å; F46-F73 HydrophobicContact CE2-CD1 4.32Å; F46-F73 HydrophobicContact CE2-CD2 4.05Å; F46-F73 AromaticContact CE2-CE1 3.96Å; F46-F73 HydrophobicContact CE2-CE1 3.96Å; F46-F73 AromaticContact CE2-CE2 3.66Å; F46-F73 HydrophobicContact CE2-CE2 3.66Å; F46-F73 HydrophobicContact CE2-CG 4.35Å; F46-F73 AromaticContact CE2-CZ 3.59Å; F46-F73 HydrophobicContact CE2-CZ 3.59Å; F46-F73 HydrophobicContact CG-CD1 4.35Å; F46-F73 HydrophobicContact CG-CE1 4.09Å; F46-F73 HydrophobicContact CG-CZ 4.49Å; F46-F73 HydrophobicContact CZ-CZ 4.42Å | ||
| 47 | Y | 96.8 | Very high | 97.2 | Very high | 189 Ų | 189 | 54.1 Ų | 54.1 | 74% | 0.741 | 28% | 0.282 | S | S | * | . | B | Isolated β-bridge | trans | -87 | 115.8 | -178.7 | -176.5 | -99.4 | 0 | 0 | 0 | 109.8 | G71 S72 | Y47-G71 CarbonylContact O-C 3.59Å; Y47-G71 WeakPolarHBondContact O-CA 3.45Å; Y47-S72 PolarHBondContact N-O 3.45Å; Y47-S72 PolarHBondContact O-N 3.12Å |
| 48 | C | 97 | Very high | 97.3 | Very high | 25 Ų | 25 | 50.3 Ų | 50.3 | 17% | 0.169 | 26% | 0.262 | C | S | . | . | trans | -153.2 | 172.3 | 173 | 64.7 | 0 | 0 | 0 | 0 | 110.1 | F46 D50 F69 | F46-C48 HydrophobicContact CD1-CB 4.29Å; F46-C48 HydrophobicContact CE1-CB 3.89Å; F46-C48 HydrophobicContact CZ-CB 4.42Å; C48-D50 PolarHBondContact SG-O 3.49Å; C48-F69 HydrophobicContact CB-CB 4.08Å | ||
| 49 | V | 96.3 | Very high | 97.4 | Very high | 137 Ų | 137 | 50.1 Ų | 50.1 | 83% | 0.83 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -80.9 | -21.7 | 176.6 | -65.7 | 0 | 0 | 0 | 0 | 112.9 | ||
| 50 | D | 96.8 | Very high | 97.5 | Very high | 84 Ų | 84 | 46.8 Ų | 46.8 | 45% | 0.449 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -85.7 | 160.2 | -179.4 | -62.9 | -71.4 | 0 | 0 | 0 | 111.4 | C48 V52 F69 | C48-D50 PolarHBondContact SG-O 3.49Å; D50-V52 HydrophobicContact CB-CG2 4.28Å; D50-V52 PolarHBondContact O-N 2.81Å; D50-F69 HydrophobicContact CB-CD1 3.98Å |
| 51 | E | 95.7 | Very high | 97.5 | Very high | 180 Ų | 180 | 47.5 Ų | 47.5 | 84% | 0.841 | 25% | 0.246 | S | C | * | . | trans | -85.7 | 106.1 | 169.6 | -169.5 | 167.1 | -158 | 0 | 0 | 108.4 | ||||
| 52 | V | 97.6 | Very high | 97.5 | Very high | 32 Ų | 32 | 52.2 Ų | 52.2 | 19% | 0.194 | 27% | 0.271 | C | S | . | . | trans | -118.2 | 120 | 179.9 | 176.2 | 0 | 0 | 0 | 0 | 108.3 | D32 F46 D50 L55 F69 | D32-V52 HydrophobicContact CB-CG1 4.25Å; F46-V52 HydrophobicContact CD1-CB 4.14Å; F46-V52 HydrophobicContact CD1-CG1 4.06Å; F46-V52 HydrophobicContact CD1-CG2 4.37Å; F46-V52 HydrophobicContact CE1-CB 4.49Å; F46-V52 HydrophobicContact CE1-CG1 4.4Å; F46-V52 HydrophobicContact CE1-CG2 4.24Å; D50-V52 HydrophobicContact CB-CG2 4.28Å; D50-V52 PolarHBondContact O-N 2.81Å; V52-L55 HydrophobicContact CG1-CD1 3.94Å; V52-L55 HydrophobicContact CG1-CD2 3.76Å; V52-L55 HydrophobicContact CG1-CG 3.64Å; V52-F69 HydrophobicContact CG2-CD1 3.85Å; V52-F69 HydrophobicContact CG2-CD2 3.95Å; V52-F69 HydrophobicContact CG2-CE1 3.86Å; V52-F69 HydrophobicContact CG2-CE2 3.97Å; V52-F69 HydrophobicContact CG2-CG 3.89Å; V52-F69 HydrophobicContact CG2-CZ 3.91Å | ||
| 53 | E | 97.4 | Very high | 97.5 | Very high | 119 Ų | 119 | 52.6 Ų | 52.6 | 56% | 0.556 | 28% | 0.275 | S | S | * | . | trans | -100.9 | -40.2 | -178.8 | -66.9 | -171.2 | 173.6 | 0 | 0 | 111.7 | D32 S43 | D32-E53 PolarHBondContact OD2-N 2.81Å; S43-E53 WeakPolarHBondContact CA-O 3.2Å | ||
| 54 | H | 98.2 | Very high | 97.6 | Very high | 28 Ų | 28 | 51.9 Ų | 51.9 | 13% | 0.13 | 27% | 0.27 | C | S | . | . | trans | -141.2 | 117.2 | -167.4 | -64.3 | -32.8 | 0 | 0 | 0 | 112.3 | K27 V29 C31 D32 Y41 | K27-H54 PolarHBondContact NZ-NE2 2.96Å; V29-H54 HydrophobicContact CB-CB 4.37Å; V29-H54 HydrophobicContact CG2-CB 3.85Å; C31-H54 WeakPolarHBondContact CA-O 3.21Å; D32-H54 PolarHBondContact N-O 2.91Å; D32-H54 PolarHBondContact OD2-N 3.49Å; Y41-H54 AromaticContact CD2-ND1 3.5Å; Y41-H54 WeakPolarHBondContact CD2-ND1 3.19Å; Y41-H54 AromaticContact CE2-CE1 3.75Å; Y41-H54 AromaticContact CE2-ND1 3.63Å | ||
| 55 | L | 98.7 | Very high | 97.7 | Very high | 2 Ų | 2 | 51.4 Ų | 51.4 | 1% | 0.01 | 27% | 0.266 | C | S | . | . | B | Isolated β-bridge | trans | -115.2 | 132.2 | 174.4 | -65.5 | 173.8 | 0 | 0 | 0 | 111.2 | C33 Y41 Y42 F46 V52 I60 A65 F69 F73 | C33-L55 HydrophobicContact CB-CD2 3.91Å; Y41-L55 CarbonylContact C-O 3.57Å; Y41-L55 WeakPolarHBondContact CA-O 3.4Å; Y42-L55 PolarHBondContact N-O 3.4Å; Y42-L55 PolarHBondContact O-N 3.41Å; F46-L55 HydrophobicContact CD1-CD1 3.89Å; F46-L55 HydrophobicContact CD2-CD1 4.37Å; F46-L55 HydrophobicContact CE1-CD1 4.09Å; F46-L55 HydrophobicContact CG-CD1 4.04Å; F46-L55 HydrophobicContact CZ-CD1 4.42Å; V52-L55 HydrophobicContact CG1-CD1 3.94Å; V52-L55 HydrophobicContact CG1-CD2 3.76Å; V52-L55 HydrophobicContact CG1-CG 3.64Å; L55-I60 HydrophobicContact CB-CD1 4.25Å; L55-I60 HydrophobicContact CB-CG1 4.18Å; L55-A65 HydrophobicContact CD1-CB 3.99Å; L55-A65 HydrophobicContact CD2-CB 3.87Å; L55-A65 HydrophobicContact CG-CB 4.48Å; L55-F69 HydrophobicContact CD2-CE2 3.95Å; L55-F73 HydrophobicContact CD1-CE1 3.68Å; L55-F73 HydrophobicContact CD1-CZ 3.76Å |
| 56 | C | 98.4 | Very high | 97.9 | Very high | 4 Ų | 4 | 50.2 Ų | 50.2 | 3% | 0.027 | 26% | 0.258 | C | S | . | . | trans | -74.8 | 147.3 | 172.9 | 78 | 0 | 0 | 0 | 0 | 110.9 | C31 T38 W58 C59 I60 | C31-C56 HydrophobicContact CB-CB 3.92Å; C31-C56 PolarHBondContact SG-N 3.39Å; C31-C56 VanDerWaalsContact SG-SG 3.61Å; T38-C56 HydrophobicContact CG2-CB 3.78Å; C56-W58 HydrophobicContact CB-CE3 3.91Å; C56-W58 HydrophobicContact CB-CZ3 4.3Å; C56-W58 PolarHBondContact O-N 3.48Å; C56-C59 PolarHBondContact O-N 2.74Å; C56-C59 VanDerWaalsContact O-N 3.11Å; C56-C59 PolarHBondContact SG-N 3.13Å; C56-I60 PolarHBondContact O-N 3.48Å | ||
| 57 | P | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -52.9 | -31.8 | 179.9 | -31.2 | 35.9 | 0 | 0 | 0 | 114.3 | L8 P9 F11 F23 V40 I60 A61 | L8-P57 HydrophobicContact CD2-CB 4.02Å; L8-P57 HydrophobicContact CD2-CG 3.77Å; P9-P57 HydrophobicContact CG-CB 4.22Å; F11-P57 HydrophobicContact CZ-CB 4.37Å; F11-P57 WeakPolarHBondContact CZ-O 3.41Å; F23-P57 HydrophobicContact CD2-CB 4.4Å; F23-P57 HydrophobicContact CD2-CG 3.83Å; F23-P57 HydrophobicContact CE1-CG 4.4Å; F23-P57 HydrophobicContact CE2-CB 3.59Å; F23-P57 HydrophobicContact CE2-CG 3.5Å; F23-P57 HydrophobicContact CG-CG 4.43Å; F23-P57 HydrophobicContact CZ-CB 3.76Å; F23-P57 HydrophobicContact CZ-CG 3.83Å; V40-P57 HydrophobicContact CB-CG 4.21Å; V40-P57 HydrophobicContact CG1-CG 3.77Å; V40-P57 WeakPolarHBondContact O-CD 3.27Å; P57-I60 PolarHBondContact O-N 3.11Å; P57-A61 WeakPolarHBondContact O-CB 3.23Å; P57-A61 PolarHBondContact O-N 2.93Å |
| 58 | W | 98.3 | Very high | 98 | Very high | 39 Ų | 39 | 52.3 Ų | 52.3 | 15% | 0.148 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -72.8 | -37.9 | -177.4 | -58.3 | -81.5 | 0 | 0 | 0 | 113.4 | R6 P7 L8 P9 C56 I60 A61 D62 | R6-W58 HydrophobicContact CB-CH2 4.44Å; R6-W58 HydrophobicContact CB-CZ2 3.76Å; R6-W58 HydrophobicContact CG-CD2 4.45Å; R6-W58 HydrophobicContact CG-CZ2 3.79Å; R6-W58 VanDerWaalsContact CZ-CB 3.43Å; R6-W58 WeakPolarHBondContact O-CZ2 3.43Å; P7-W58 PolarHBondContact O-NE1 2.93Å; L8-W58 HydrophobicContact CD2-CH2 4.44Å; L8-W58 HydrophobicContact CD2-CZ2 4.3Å; P9-W58 HydrophobicContact CG-CB 4.5Å; P9-W58 VanDerWaalsContact CG-CD1 3.44Å; P9-W58 HydrophobicContact CG-CG 4.01Å; C56-W58 HydrophobicContact CB-CE3 3.91Å; C56-W58 HydrophobicContact CB-CZ3 4.3Å; C56-W58 PolarHBondContact O-N 3.48Å; W58-I60 VanDerWaalsContact C-N 3.26Å; W58-I60 PolarHBondContact O-N 3.24Å; W58-A61 PolarHBondContact O-N 2.92Å; W58-D62 PolarHBondContact O-N 2.68Å |
| 59 | C | 98.6 | Very high | 98 | Very high | 5 Ų | 5 | 52 Ų | 52 | 3% | 0.034 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -70.4 | -26.8 | 176.1 | -73.1 | 0 | 0 | 0 | 0 | 112.5 | C33 C34 C56 D62 G63 S64 A65 | C33-C59 HydrophobicContact CB-CB 3.83Å; C34-C59 VanDerWaalsContact CB-SG 3.56Å; C56-C59 PolarHBondContact O-N 2.74Å; C56-C59 VanDerWaalsContact O-N 3.11Å; C56-C59 PolarHBondContact SG-N 3.13Å; C59-D62 WeakPolarHBondContact CA-OD1 3.01Å; C59-G63 PolarHBondContact O-N 2.82Å; C59-S64 VanDerWaalsContact CA-OG 3.27Å; C59-S64 WeakPolarHBondContact CA-OG 3.38Å; C59-S64 WeakPolarHBondContact CB-OG 3.37Å; C59-S64 PolarHBondContact O-N 3.36Å; C59-S64 VanDerWaalsContact O-N 3.16Å; C59-S64 PolarHBondContact O-OG 3.38Å; C59-S64 PolarHBondContact SG-OG 3.36Å; C59-S64 VanDerWaalsContact SG-OG 3.41Å; C59-A65 HydrophobicContact CB-CB 4.08Å; C59-A65 WeakPolarHBondContact O-CB 3.21Å; C59-A65 PolarHBondContact O-N 3.41Å |
| 60 | I | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -68.3 | -55.3 | 168.6 | -54.7 | -180 | 0 | 0 | 0 | 108.5 | F11 F23 Y42 L55 C56 P57 W58 D62 G63 F73 R110 P112 | F11-I60 HydrophobicContact CE1-CB 4.23Å; F11-I60 HydrophobicContact CE1-CG2 3.86Å; F11-I60 HydrophobicContact CZ-CB 4.43Å; F11-I60 HydrophobicContact CZ-CG2 4.43Å; F23-I60 HydrophobicContact CE1-CD1 3.89Å; F23-I60 HydrophobicContact CZ-CD1 4.3Å; Y42-I60 HydrophobicContact CD1-CD1 4.1Å; Y42-I60 HydrophobicContact CD2-CD1 4.46Å; Y42-I60 HydrophobicContact CG-CD1 3.81Å; L55-I60 HydrophobicContact CB-CD1 4.25Å; L55-I60 HydrophobicContact CB-CG1 4.18Å; C56-I60 PolarHBondContact O-N 3.48Å; P57-I60 PolarHBondContact O-N 3.11Å; W58-I60 VanDerWaalsContact C-N 3.26Å; W58-I60 PolarHBondContact O-N 3.24Å; I60-D62 VanDerWaalsContact C-N 3.34Å; I60-D62 PolarHBondContact O-N 2.81Å; I60-G63 PolarHBondContact O-N 3.4Å; I60-G63 VanDerWaalsContact O-N 3.07Å; I60-F73 HydrophobicContact CB-CE1 4.49Å; I60-F73 HydrophobicContact CB-CE2 4.5Å; I60-F73 HydrophobicContact CB-CZ 4.08Å; I60-F73 HydrophobicContact CD1-CE1 3.81Å; I60-F73 HydrophobicContact CD1-CZ 4.19Å; I60-F73 HydrophobicContact CG1-CE1 3.77Å; I60-F73 HydrophobicContact CG1-CE2 4.48Å; I60-F73 HydrophobicContact CG1-CZ 3.61Å; I60-F73 HydrophobicContact CG2-CD1 4.44Å; I60-F73 HydrophobicContact CG2-CD2 4.27Å; I60-F73 HydrophobicContact CG2-CE1 4.08Å; I60-F73 HydrophobicContact CG2-CE2 3.89Å; I60-F73 HydrophobicContact CG2-CZ 3.81Å; I60-R110 VanDerWaalsContact O-CA 3.29Å; I60-R110 WeakPolarHBondContact O-CA 3.37Å; I60-P112 HydrophobicContact CD1-CB 4.49Å |
| 61 | A | 98.5 | Very high | 98.2 | Very high | 31 Ų | 31 | 46.4 Ų | 46.4 | 26% | 0.256 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -62.4 | -35.3 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | P9 F11 P57 W58 | P9-A61 HydrophobicContact CB-CB 3.39Å; P9-A61 HydrophobicContact CG-CB 3.65Å; F11-A61 HydrophobicContact CE1-CB 3.68Å; F11-A61 HydrophobicContact CZ-CB 3.94Å; P57-A61 WeakPolarHBondContact O-CB 3.23Å; P57-A61 PolarHBondContact O-N 2.93Å; W58-A61 PolarHBondContact O-N 2.92Å |
| 62 | D | 98.1 | Very high | 98.3 | Very high | 99 Ų | 99 | 39 Ų | 39 | 53% | 0.529 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -5.3 | 178 | 67.6 | 18.5 | 0 | 0 | 0 | 113.8 | W58 C59 I60 S64 | W58-D62 PolarHBondContact O-N 2.68Å; C59-D62 WeakPolarHBondContact CA-OD1 3.01Å; I60-D62 VanDerWaalsContact C-N 3.34Å; I60-D62 PolarHBondContact O-N 2.81Å; D62-S64 VanDerWaalsContact C-N 3.29Å; D62-S64 PolarHBondContact O-N 2.97Å; D62-S64 WeakPolarHBondContact OD1-CB 3.19Å; D62-S64 PolarHBondContact OD1-N 2.82Å; D62-S64 PolarHBondContact OD1-OG 2.8Å |
| 63 | G | 98.5 | Very high | 98.3 | Very high | 9 Ų | 9 | 37.7 Ų | 37.7 | 9% | 0.093 | 21% | 0.209 | C | C | . | . | S | Bend | trans | 81.2 | -0.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | C59 I60 A65 A66 E67 | C59-G63 PolarHBondContact O-N 2.82Å; I60-G63 PolarHBondContact O-N 3.4Å; I60-G63 VanDerWaalsContact O-N 3.07Å; G63-A65 VanDerWaalsContact C-N 3.26Å; G63-A65 PolarHBondContact O-N 2.81Å; G63-A66 PolarHBondContact O-N 2.67Å; G63-E67 WeakPolarHBondContact O-CB 3.49Å; G63-E67 PolarHBondContact O-N 3.02Å |
| 64 | S | 98.6 | Very high | 98.3 | Very high | 33 Ų | 33 | 32.1 Ų | 32.1 | 23% | 0.231 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.9 | -32.3 | -178.7 | 56.4 | 0 | 0 | 0 | 0 | 113.3 | C33 C59 D62 K68 | C33-S64 VanDerWaalsContact SG-C 3.52Å; C33-S64 PolarHBondContact SG-O 3.49Å; C59-S64 VanDerWaalsContact CA-OG 3.27Å; C59-S64 WeakPolarHBondContact CA-OG 3.38Å; C59-S64 WeakPolarHBondContact CB-OG 3.37Å; C59-S64 PolarHBondContact O-N 3.36Å; C59-S64 VanDerWaalsContact O-N 3.16Å; C59-S64 PolarHBondContact O-OG 3.38Å; C59-S64 PolarHBondContact SG-OG 3.36Å; C59-S64 VanDerWaalsContact SG-OG 3.41Å; D62-S64 VanDerWaalsContact C-N 3.29Å; D62-S64 PolarHBondContact O-N 2.97Å; D62-S64 WeakPolarHBondContact OD1-CB 3.19Å; D62-S64 PolarHBondContact OD1-N 2.82Å; D62-S64 PolarHBondContact OD1-OG 2.8Å; S64-K68 WeakPolarHBondContact O-CB 3.16Å; S64-K68 PolarHBondContact O-N 3.04Å |
| 65 | A | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66.1 | -50.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | C33 L55 C59 G63 E67 K68 F69 F73 | C33-A65 HydrophobicContact CB-CB 4.23Å; C33-A65 VanDerWaalsContact SG-CA 3.6Å; L55-A65 HydrophobicContact CD1-CB 3.99Å; L55-A65 HydrophobicContact CD2-CB 3.87Å; L55-A65 HydrophobicContact CG-CB 4.48Å; C59-A65 HydrophobicContact CB-CB 4.08Å; C59-A65 WeakPolarHBondContact O-CB 3.21Å; C59-A65 PolarHBondContact O-N 3.41Å; G63-A65 VanDerWaalsContact C-N 3.26Å; G63-A65 PolarHBondContact O-N 2.81Å; A65-E67 VanDerWaalsContact C-N 3.33Å; A65-E67 PolarHBondContact O-N 3.18Å; A65-K68 PolarHBondContact O-N 2.79Å; A65-F69 WeakPolarHBondContact O-CD2 3.44Å; A65-F69 PolarHBondContact O-N 3.46Å; A65-F69 VanDerWaalsContact O-N 3.12Å; A65-F73 HydrophobicContact CB-CZ 4.11Å |
| 66 | A | 98.5 | Very high | 97.9 | Very high | 4 Ų | 4 | 36.2 Ų | 36.2 | 3% | 0.033 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.3 | -43 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | G63 A70 G71 F73 E109 | G63-A66 PolarHBondContact O-N 2.67Å; A66-A70 WeakPolarHBondContact O-CA 3.35Å; A66-A70 PolarHBondContact O-N 2.85Å; A66-G71 WeakPolarHBondContact CA-O 3.25Å; A66-G71 WeakPolarHBondContact CB-O 3.49Å; A66-G71 PolarHBondContact O-N 3.22Å; A66-G71 VanDerWaalsContact O-N 3.1Å; A66-F73 HydrophobicContact CB-CE2 4.34Å; A66-E109 HydrophobicContact CB-CB 3.58Å; A66-E109 HydrophobicContact CB-CG 3.95Å; A66-E109 WeakPolarHBondContact CB-O 3.22Å |
| 67 | E | 98.5 | Very high | 97.6 | Very high | 163 Ų | 163 | 37.5 Ų | 37.5 | 76% | 0.762 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -64 | -47.5 | 177.2 | -176.4 | 177.8 | -166.3 | 0 | 0 | 112.3 | G63 A65 F69 | G63-E67 WeakPolarHBondContact O-CB 3.49Å; G63-E67 PolarHBondContact O-N 3.02Å; A65-E67 VanDerWaalsContact C-N 3.33Å; A65-E67 PolarHBondContact O-N 3.18Å; E67-F69 PolarHBondContact O-N 3.25Å |
| 68 | K | 98.6 | Very high | 97.4 | Very high | 104 Ų | 104 | 38.2 Ų | 38.2 | 45% | 0.452 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -62.8 | -42.4 | -176.9 | -176.9 | -178.4 | -179.3 | -178.1 | 0 | 112.1 | D32 C33 S64 A65 | D32-K68 PolarHBondContact O-NZ 3.43Å; C33-K68 HydrophobicContact CB-CD 4.49Å; C33-K68 PolarHBondContact O-NZ 3.14Å; S64-K68 WeakPolarHBondContact O-CB 3.16Å; S64-K68 PolarHBondContact O-N 3.04Å; A65-K68 PolarHBondContact O-N 2.79Å |
| 69 | F | 98.3 | Very high | 97.4 | Very high | 20 Ų | 20 | 36.4 Ų | 36.4 | 9% | 0.088 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -101.1 | 2.5 | -173 | -59.1 | -63.8 | 0 | 0 | 0 | 113.5 | D32 C33 F46 C48 D50 V52 L55 A65 E67 G71 | D32-F69 HydrophobicContact CB-CZ 4.04Å; D32-F69 WeakPolarHBondContact O-CZ 3.33Å; C33-F69 HydrophobicContact CB-CE2 3.99Å; F46-F69 HydrophobicContact CE1-CB 3.85Å; F46-F69 AromaticContact CE1-CD2 3.95Å; F46-F69 HydrophobicContact CE1-CD2 3.95Å; F46-F69 HydrophobicContact CE1-CG 4.21Å; F46-F69 HydrophobicContact CZ-CB 4.04Å; F46-F69 HydrophobicContact CZ-CD2 4.32Å; C48-F69 HydrophobicContact CB-CB 4.08Å; D50-F69 HydrophobicContact CB-CD1 3.98Å; V52-F69 HydrophobicContact CG2-CD1 3.85Å; V52-F69 HydrophobicContact CG2-CD2 3.95Å; V52-F69 HydrophobicContact CG2-CE1 3.86Å; V52-F69 HydrophobicContact CG2-CE2 3.97Å; V52-F69 HydrophobicContact CG2-CG 3.89Å; V52-F69 HydrophobicContact CG2-CZ 3.91Å; L55-F69 HydrophobicContact CD2-CE2 3.95Å; A65-F69 WeakPolarHBondContact O-CD2 3.44Å; A65-F69 PolarHBondContact O-N 3.46Å; A65-F69 VanDerWaalsContact O-N 3.12Å; E67-F69 PolarHBondContact O-N 3.25Å; F69-G71 PolarHBondContact O-N 3.26Å |
| 70 | A | 97.7 | Very high | 97.3 | Very high | 94 Ų | 94 | 38 Ų | 38 | 78% | 0.777 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 45.5 | 44.5 | -171.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | A66 | A66-A70 WeakPolarHBondContact O-CA 3.35Å; A66-A70 PolarHBondContact O-N 2.85Å |
| 71 | G | 97.5 | Very high | 97.1 | Very high | 8 Ų | 8 | 39 Ų | 39 | 8% | 0.082 | 23% | 0.233 | C | C | . | . | trans | -119.8 | 167.7 | -170 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y47 A66 F69 | Y47-G71 CarbonylContact O-C 3.59Å; Y47-G71 WeakPolarHBondContact O-CA 3.45Å; A66-G71 WeakPolarHBondContact CA-O 3.25Å; A66-G71 WeakPolarHBondContact CB-O 3.49Å; A66-G71 PolarHBondContact O-N 3.22Å; A66-G71 VanDerWaalsContact O-N 3.1Å; F69-G71 PolarHBondContact O-N 3.26Å | ||
| 72 | S | 97.8 | Very high | 96.8 | Very high | 24 Ų | 24 | 38.3 Ų | 38.3 | 17% | 0.168 | 23% | 0.226 | C | C | . | . | B | Isolated β-bridge | trans | -131.2 | 146.6 | -178.9 | 57.6 | 0 | 0 | 0 | 0 | 112.4 | F46 Y47 | F46-S72 CarbonylContact C-O 3.58Å; F46-S72 WeakPolarHBondContact CA-O 3.38Å; F46-S72 VanDerWaalsContact CD2-O 3.31Å; F46-S72 WeakPolarHBondContact CD2-O 3.22Å; Y47-S72 PolarHBondContact N-O 3.45Å; Y47-S72 PolarHBondContact O-N 3.12Å |
| 73 | F | 98.3 | Very high | 96.4 | Very high | 5 Ų | 5 | 38.3 Ų | 38.3 | 2% | 0.022 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -92.7 | -21.4 | 175.9 | -63.2 | -84.2 | 0 | 0 | 0 | 112.8 | Y42 F46 L55 I60 A65 A66 V108 E109 T111 | Y42-F73 HydrophobicContact CD1-CD1 4.14Å; Y42-F73 AromaticContact CD1-CE1 3.94Å; Y42-F73 HydrophobicContact CD1-CE1 3.94Å; Y42-F73 AromaticContact CE1-CD1 3.55Å; Y42-F73 HydrophobicContact CE1-CD1 3.55Å; Y42-F73 AromaticContact CE1-CE1 3.81Å; Y42-F73 HydrophobicContact CE1-CE1 3.81Å; F46-F73 HydrophobicContact CB-CD1 4.39Å; F46-F73 HydrophobicContact CB-CE1 4.39Å; F46-F73 AromaticContact CD2-CD1 3.6Å; F46-F73 HydrophobicContact CD2-CD1 3.6Å; F46-F73 HydrophobicContact CD2-CD2 4.06Å; F46-F73 AromaticContact CD2-CE1 3.46Å; F46-F73 HydrophobicContact CD2-CE1 3.46Å; F46-F73 VanDerWaalsContact CD2-CE1 3.46Å; F46-F73 AromaticContact CD2-CE2 3.94Å; F46-F73 HydrophobicContact CD2-CE2 3.94Å; F46-F73 AromaticContact CD2-CG 3.89Å; F46-F73 HydrophobicContact CD2-CG 3.89Å; F46-F73 AromaticContact CD2-CZ 3.62Å; F46-F73 HydrophobicContact CD2-CZ 3.62Å; F46-F73 HydrophobicContact CE2-CD1 4.32Å; F46-F73 HydrophobicContact CE2-CD2 4.05Å; F46-F73 AromaticContact CE2-CE1 3.96Å; F46-F73 HydrophobicContact CE2-CE1 3.96Å; F46-F73 AromaticContact CE2-CE2 3.66Å; F46-F73 HydrophobicContact CE2-CE2 3.66Å; F46-F73 HydrophobicContact CE2-CG 4.35Å; F46-F73 AromaticContact CE2-CZ 3.59Å; F46-F73 HydrophobicContact CE2-CZ 3.59Å; F46-F73 HydrophobicContact CG-CD1 4.35Å; F46-F73 HydrophobicContact CG-CE1 4.09Å; F46-F73 HydrophobicContact CG-CZ 4.49Å; F46-F73 HydrophobicContact CZ-CZ 4.42Å; L55-F73 HydrophobicContact CD1-CE1 3.68Å; L55-F73 HydrophobicContact CD1-CZ 3.76Å; I60-F73 HydrophobicContact CB-CE1 4.49Å; I60-F73 HydrophobicContact CB-CE2 4.5Å; I60-F73 HydrophobicContact CB-CZ 4.08Å; I60-F73 HydrophobicContact CD1-CE1 3.81Å; I60-F73 HydrophobicContact CD1-CZ 4.19Å; I60-F73 HydrophobicContact CG1-CE1 3.77Å; I60-F73 HydrophobicContact CG1-CE2 4.48Å; I60-F73 HydrophobicContact CG1-CZ 3.61Å; I60-F73 HydrophobicContact CG2-CD1 4.44Å; I60-F73 HydrophobicContact CG2-CD2 4.27Å; I60-F73 HydrophobicContact CG2-CE1 4.08Å; I60-F73 HydrophobicContact CG2-CE2 3.89Å; I60-F73 HydrophobicContact CG2-CZ 3.81Å; A65-F73 HydrophobicContact CB-CZ 4.11Å; A66-F73 HydrophobicContact CB-CE2 4.34Å; F73-V108 PolarHBondContact N-O 2.94Å; F73-E109 WeakPolarHBondContact CD2-O 3.2Å; F73-E109 WeakPolarHBondContact CE2-O 3.25Å; F73-T111 WeakPolarHBondContact CB-O 3.36Å |
| 74 | Q | 98.1 | Very high | 95.8 | Very high | 3 Ų | 3 | 42.1 Ų | 42.1 | 1% | 0.014 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -132.9 | 137.5 | 172.1 | 174.5 | 57.1 | 34.8 | 0 | 0 | 108.1 | D76 S78 I79 V108 E120 W122 | Q74-D76 PolarHBondContact O-N 2.87Å; Q74-S78 PolarHBondContact NE2-O 3.38Å; Q74-I79 HydrophobicContact CG-CD1 4.13Å; Q74-I79 HydrophobicContact CG-CG1 4.06Å; Q74-V108 WeakPolarHBondContact O-CG1 3.42Å; Q74-E120 PolarHBondContact NE2-O 3.44Å; Q74-W122 HydrophobicContact CB-CE3 4.17Å; Q74-W122 HydrophobicContact CB-CZ3 4.32Å; Q74-W122 HydrophobicContact CG-CB 4.38Å; Q74-W122 HydrophobicContact CG-CE3 3.82Å; Q74-W122 HydrophobicContact CG-CZ3 4.46Å |
| 75 | D | 95.3 | Very high | 95.4 | Very high | 48 Ų | 48 | 45 Ų | 45 | 26% | 0.257 | 25% | 0.247 | S | C | . | . | trans | -69.5 | 122.7 | 172.3 | 176.3 | 17 | 0 | 0 | 0 | 110 | A77 S78 | D75-A77 PolarHBondContact O-N 2.94Å; D75-A77 VanDerWaalsContact OD1-CB 3.23Å; D75-A77 WeakPolarHBondContact OD1-CB 3.18Å; D75-A77 PolarHBondContact OD1-N 2.66Å; D75-A77 VanDerWaalsContact OD1-N 3.07Å; D75-S78 PolarHBondContact O-N 3.41Å; D75-S78 PolarHBondContact OD2-OG 2.93Å | ||
| 76 | D | 92.8 | Very high | 95 | Very high | 68 Ų | 68 | 51.7 Ų | 51.7 | 36% | 0.364 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -22.2 | -178.1 | 63.5 | -19.7 | 0 | 0 | 0 | 112.5 | Q74 S78 V82 V108 | Q74-D76 PolarHBondContact O-N 2.87Å; D76-S78 PolarHBondContact O-N 3.28Å; D76-V82 WeakPolarHBondContact O-CG1 3.48Å; D76-V108 HydrophobicContact CB-CG2 3.91Å |
| 77 | A | 91.6 | Very high | 94.7 | Very high | 30 Ų | 30 | 54.8 Ų | 54.8 | 25% | 0.248 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -19.7 | 169.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | D75 F84 | D75-A77 PolarHBondContact O-N 2.94Å; D75-A77 VanDerWaalsContact OD1-CB 3.23Å; D75-A77 WeakPolarHBondContact OD1-CB 3.18Å; D75-A77 PolarHBondContact OD1-N 2.66Å; D75-A77 VanDerWaalsContact OD1-N 3.07Å; A77-F84 HydrophobicContact CB-CE2 3.64Å; A77-F84 HydrophobicContact CB-CZ 3.38Å |
| 78 | S | 95.3 | Very high | 94.5 | Very high | 16 Ų | 16 | 56.8 Ų | 56.8 | 11% | 0.112 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -113.4 | 49.9 | -170 | -60.3 | 0 | 0 | 0 | 0 | 111 | Q74 D75 D76 Q119 E120 F121 W122 | Q74-S78 PolarHBondContact NE2-O 3.38Å; D75-S78 PolarHBondContact O-N 3.41Å; D75-S78 PolarHBondContact OD2-OG 2.93Å; D76-S78 PolarHBondContact O-N 3.28Å; S78-Q119 WeakPolarHBondContact OG-CG 3.34Å; S78-E120 WeakPolarHBondContact CB-O 3.31Å; S78-F121 WeakPolarHBondContact O-CA 3.29Å; S78-W122 PolarHBondContact O-N 3.46Å |
| 79 | I | 97.1 | Very high | 94.3 | Very high | 1 Ų | 1 | 59.2 Ų | 59.2 | 1% | 0.005 | 31% | 0.311 | C | S | . | . | B | Isolated β-bridge | trans | -132.3 | 131.3 | -178.7 | -62 | 170.8 | 0 | 0 | 0 | 109.6 | Q74 G81 V82 L104 L107 V108 W122 F129 | Q74-I79 HydrophobicContact CG-CD1 4.13Å; Q74-I79 HydrophobicContact CG-CG1 4.06Å; I79-G81 PolarHBondContact O-N 2.92Å; I79-V82 HydrophobicContact CB-CB 4.36Å; I79-V82 HydrophobicContact CB-CG2 3.93Å; I79-V82 HydrophobicContact CG2-CG2 3.98Å; I79-V82 PolarHBondContact O-N 3.45Å; I79-V82 VanDerWaalsContact O-N 3.07Å; I79-L104 HydrophobicContact CD1-CD1 3.48Å; I79-L104 VanDerWaalsContact CD1-CD1 3.48Å; I79-L107 HydrophobicContact CD1-CD2 3.74Å; I79-L107 HydrophobicContact CD1-CG 4.42Å; I79-L107 HydrophobicContact CG1-CD2 4.2Å; I79-L107 HydrophobicContact CG2-CD2 4.3Å; I79-V108 HydrophobicContact CD1-CG2 3.89Å; I79-W122 HydrophobicContact CG1-CB 4.12Å; I79-F129 HydrophobicContact CG2-CD1 3.85Å; I79-F129 HydrophobicContact CG2-CE1 3.35Å; I79-F129 HydrophobicContact CG2-CZ 4.1Å |
| 80 | E | 96.5 | Very high | 93.9 | Very high | 37 Ų | 37 | 65 Ų | 65 | 17% | 0.173 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | 121.3 | 178.9 | -170.6 | 175.4 | -126.4 | 0 | 0 | 111.3 | Y99 F121 W122 A124 R189 | E80-Y99 WeakPolarHBondContact O-CE2 3.4Å; E80-Y99 VanDerWaalsContact O-CZ 3.29Å; E80-Y99 PolarHBondContact O-OH 3.1Å; E80-F121 HydrophobicContact CB-CE1 3.83Å; E80-F121 HydrophobicContact CB-CZ 4.26Å; E80-W122 PolarHBondContact N-O 2.92Å; E80-A124 HydrophobicContact CB-CB 4.25Å; E80-A124 PolarHBondContact OE2-N 3.01Å; E80-R189 IonicContact OE1-CZ 3.43Å; E80-R189 IonicContact OE1-NH1 3.91Å; E80-R189 IonicContact OE1-NH2 3.65Å; E80-R189 PolarHBondContact OE1-NH2 3.02Å; E80-R189 IonicContact OE2-CZ 2.73Å; E80-R189 IonicContact OE2-NH1 2.79Å; E80-R189 PolarHBondContact OE2-NH1 2.98Å; E80-R189 IonicContact OE2-NH2 3.61Å; E80-R189 PolarHBondContact OE2-NH2 2.89Å |
| 81 | G | 94.4 | Very high | 93.7 | Very high | 23 Ų | 23 | 66.6 Ų | 66.6 | 24% | 0.237 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 89.3 | 5 | -179 | 0 | 0 | 0 | 0 | 0 | 115.1 | I79 T98 | I79-G81 PolarHBondContact O-N 2.92Å; G81-T98 WeakPolarHBondContact O-CB 3.33Å; G81-T98 PolarHBondContact O-N 2.81Å; G81-T98 PolarHBondContact O-OG1 2.73Å |
| 82 | V | 93.2 | Very high | 93.4 | Very high | 15 Ų | 15 | 72.1 Ų | 72.1 | 9% | 0.091 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 119.4 | 162.5 | -176.2 | 0 | 0 | 0 | 0 | 107.7 | D76 I79 I95 Y99 L104 | D76-V82 WeakPolarHBondContact O-CG1 3.48Å; I79-V82 HydrophobicContact CB-CB 4.36Å; I79-V82 HydrophobicContact CB-CG2 3.93Å; I79-V82 HydrophobicContact CG2-CG2 3.98Å; I79-V82 PolarHBondContact O-N 3.45Å; I79-V82 VanDerWaalsContact O-N 3.07Å; V82-I95 HydrophobicContact CG1-CG2 3.49Å; V82-I95 VanDerWaalsContact CG1-CG2 3.49Å; V82-Y99 HydrophobicContact CG2-CD2 4.37Å; V82-L104 HydrophobicContact CG2-CD1 4.28Å |
| 83 | E | 89.6 | Confident | 93 | Very high | 99 Ų | 99 | 74 Ų | 74 | 46% | 0.463 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 141.8 | -174.7 | -64.8 | 173.6 | 165.1 | 0 | 0 | 110.4 | K96 | E83-K96 HydrophobicContact CB-CB 4.45Å; E83-K96 PolarHBondContact N-O 3.31Å; E83-K96 PolarHBondContact O-N 3.3Å; E83-K96 IonicContact OE2-NZ 2.83Å; E83-K96 PolarHBondContact OE2-NZ 2.83Å |
| 84 | F | 86.6 | Confident | 92.5 | Very high | 90 Ų | 90 | 74.6 Ų | 74.6 | 40% | 0.395 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 127.1 | 167.3 | -64.8 | -70.6 | 0 | 0 | 0 | 109.8 | A77 Y86 F92 I95 | A77-F84 HydrophobicContact CB-CE2 3.64Å; A77-F84 HydrophobicContact CB-CZ 3.38Å; F84-Y86 HydrophobicContact CB-CE2 3.73Å; F84-F92 HydrophobicContact CD1-CD2 4.3Å; F84-F92 AromaticContact CD1-CE2 3.71Å; F84-F92 HydrophobicContact CD1-CE2 3.71Å; F84-F92 HydrophobicContact CE1-CE2 4.39Å; F84-I95 HydrophobicContact CD1-CG1 3.93Å; F84-I95 HydrophobicContact CE1-CD1 4.15Å; F84-I95 HydrophobicContact CE1-CG1 3.96Å |
| 85 | E | 89.4 | Confident | 92 | Very high | 94 Ų | 94 | 78.1 Ų | 78.1 | 44% | 0.439 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 135.1 | 172 | -67.6 | -172.4 | 151.9 | 0 | 0 | 109.6 | A93 G94 K96 | E85-A93 HydrophobicContact CB-CB 4.4Å; E85-A93 PolarHBondContact O-N 2.88Å; E85-G94 PolarHBondContact N-O 3.06Å; E85-G94 PolarHBondContact O-N 3.19Å; E85-K96 HydrophobicContact CG-CB 3.77Å; E85-K96 WeakPolarHBondContact OE1-CD 3.33Å |
| 86 | Y | 90.8 | Very high | 91.7 | Very high | 139 Ų | 139 | 80.2 Ų | 80.2 | 55% | 0.545 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 145.8 | 172.5 | -60.2 | -92.8 | 0 | 0 | 0 | 108.6 | F84 E91 | F84-Y86 HydrophobicContact CB-CE2 3.73Å; Y86-E91 CarbonylContact C-O 3.5Å; Y86-E91 WeakPolarHBondContact CA-O 2.78Å |
| 87 | D | 92 | Very high | 91.4 | Very high | 69 Ų | 69 | 78.9 Ų | 78.9 | 37% | 0.369 | 40% | 0.399 | S | S | . | . | trans | -80.6 | -174.9 | 176.1 | 68.8 | 16.8 | 0 | 0 | 0 | 112.2 | E89 D90 E91 A93 | D87-E89 PolarHBondContact O-N 2.84Å; D87-E89 VanDerWaalsContact O-N 3.16Å; D87-E89 WeakPolarHBondContact OD1-CA 3.34Å; D87-E89 PolarHBondContact OD1-N 2.82Å; D87-D90 PolarHBondContact O-N 2.84Å; D87-D90 VanDerWaalsContact O-N 3.14Å; D87-D90 PolarHBondContact OD1-N 2.94Å; D87-E91 PolarHBondContact N-O 2.82Å; D87-E91 PolarHBondContact OD1-N 2.9Å; D87-A93 HydrophobicContact CB-CB 4.23Å | ||
| 88 | E | 93.4 | Very high | 91.4 | Very high | 206 Ų | 206 | 81.9 Ų | 81.9 | 96% | 0.963 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -12.7 | -179.1 | -60.9 | -174.2 | 176.5 | 0 | 0 | 113.6 | ||
| 89 | E | 94.6 | Very high | 91.4 | Very high | 155 Ų | 155 | 82.4 Ų | 82.4 | 72% | 0.724 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.7 | 11.7 | 178.2 | -60 | -176.3 | -176.2 | 0 | 0 | 112 | D87 E91 | D87-E89 PolarHBondContact O-N 2.84Å; D87-E89 VanDerWaalsContact O-N 3.16Å; D87-E89 WeakPolarHBondContact OD1-CA 3.34Å; D87-E89 PolarHBondContact OD1-N 2.82Å; E89-E91 HydrophobicContact CB-CG 4.46Å; E89-E91 PolarHBondContact O-N 2.88Å |
| 90 | D | 90.4 | Very high | 91.3 | Very high | 142 Ų | 142 | 86.3 Ų | 86.3 | 76% | 0.759 | 44% | 0.439 | S | S | * | . | S | Bend | trans | 59.3 | 21.8 | -172.8 | -65.9 | -45.8 | 0 | 0 | 0 | 113.2 | D87 | D87-D90 PolarHBondContact O-N 2.84Å; D87-D90 VanDerWaalsContact O-N 3.14Å; D87-D90 PolarHBondContact OD1-N 2.94Å |
| 91 | E | 92.8 | Very high | 91.2 | Very high | 126 Ų | 126 | 90.7 Ų | 90.7 | 59% | 0.589 | 46% | 0.464 | S | S | * | . | trans | -85.8 | 146.6 | 173.3 | -63.8 | -157.2 | 168.3 | 0 | 0 | 111.2 | Y86 D87 E89 A93 | Y86-E91 CarbonylContact C-O 3.5Å; Y86-E91 WeakPolarHBondContact CA-O 2.78Å; D87-E91 PolarHBondContact N-O 2.82Å; D87-E91 PolarHBondContact OD1-N 2.9Å; E89-E91 HydrophobicContact CB-CG 4.46Å; E89-E91 PolarHBondContact O-N 2.88Å; E91-A93 PolarHBondContact O-N 3.44Å; E91-A93 VanDerWaalsContact O-N 3.12Å | ||
| 92 | F | 91.2 | Very high | 91.3 | Very high | 124 Ų | 124 | 94.9 Ų | 94.9 | 54% | 0.544 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 115.2 | 178.3 | 171.3 | -108.6 | 0 | 0 | 0 | 110.9 | F84 G94 I95 | F84-F92 HydrophobicContact CD1-CD2 4.3Å; F84-F92 AromaticContact CD1-CE2 3.71Å; F84-F92 HydrophobicContact CD1-CE2 3.71Å; F84-F92 HydrophobicContact CE1-CE2 4.39Å; F92-G94 VanDerWaalsContact CE2-C 3.43Å; F92-G94 WeakPolarHBondContact CE2-O 3.46Å; F92-I95 HydrophobicContact CE2-CG1 4.22Å; F92-I95 HydrophobicContact CZ-CG1 4.09Å |
| 93 | A | 90.2 | Very high | 91.5 | Very high | 63 Ų | 63 | 95.8 Ų | 95.8 | 52% | 0.521 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | -21.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | E85 D87 E91 | E85-A93 HydrophobicContact CB-CB 4.4Å; E85-A93 PolarHBondContact O-N 2.88Å; D87-A93 HydrophobicContact CB-CB 4.23Å; E91-A93 PolarHBondContact O-N 3.44Å; E91-A93 VanDerWaalsContact O-N 3.12Å |
| 94 | G | 88 | Confident | 91.8 | Very high | 18 Ų | 18 | 92.2 Ų | 92.2 | 19% | 0.186 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 155.4 | -174.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | E85 F92 | E85-G94 PolarHBondContact N-O 3.06Å; E85-G94 PolarHBondContact O-N 3.19Å; F92-G94 VanDerWaalsContact CE2-C 3.43Å; F92-G94 WeakPolarHBondContact CE2-O 3.46Å |
| 95 | I | 86.6 | Confident | 92.3 | Very high | 78 Ų | 78 | 92.6 Ų | 92.6 | 40% | 0.4 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 125.9 | 174.6 | -60.9 | 171.2 | 0 | 0 | 0 | 107.9 | V82 F84 F92 | V82-I95 HydrophobicContact CG1-CG2 3.49Å; V82-I95 VanDerWaalsContact CG1-CG2 3.49Å; F84-I95 HydrophobicContact CD1-CG1 3.93Å; F84-I95 HydrophobicContact CE1-CD1 4.15Å; F84-I95 HydrophobicContact CE1-CG1 3.96Å; F92-I95 HydrophobicContact CE2-CG1 4.22Å; F92-I95 HydrophobicContact CZ-CG1 4.09Å |
| 96 | K | 88.9 | Confident | 92.7 | Very high | 91 Ų | 91 | 90.7 Ų | 90.7 | 40% | 0.396 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 99.3 | 169.5 | -179 | -171.1 | 168.2 | -155.9 | 0 | 108.7 | E83 E85 | E83-K96 HydrophobicContact CB-CB 4.45Å; E83-K96 PolarHBondContact N-O 3.31Å; E83-K96 PolarHBondContact O-N 3.3Å; E83-K96 IonicContact OE2-NZ 2.83Å; E83-K96 PolarHBondContact OE2-NZ 2.83Å; E85-K96 HydrophobicContact CG-CB 3.77Å; E85-K96 WeakPolarHBondContact OE1-CD 3.33Å |
| 97 | N | 87.8 | Confident | 93.1 | Very high | 40 Ų | 40 | 84 Ų | 84 | 21% | 0.214 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 119.4 | 172.7 | 178.9 | 15.9 | 0 | 0 | 0 | 110 | Y99 L104 | N97-Y99 PolarHBondContact ND2-O 3.43Å; N97-Y99 PolarHBondContact O-N 3.17Å; N97-Y99 WeakPolarHBondContact OD1-CB 3.49Å; N97-Y99 WeakPolarHBondContact OD1-CD2 3.19Å; N97-Y99 PolarHBondContact OD1-N 3.49Å; N97-Y99 PolarHBondContact OD1-O 3.3Å; N97-L104 WeakPolarHBondContact ND2-CD2 3.38Å |
| 98 | T | 91.5 | Very high | 93.4 | Very high | 94 Ų | 94 | 81.4 Ų | 81.4 | 58% | 0.577 | 42% | 0.418 | S | S | * | . | trans | -78 | -11.5 | 177.8 | -52.4 | 0 | 0 | 0 | 0 | 112.6 | G81 | G81-T98 WeakPolarHBondContact O-CB 3.33Å; G81-T98 PolarHBondContact O-N 2.81Å; G81-T98 PolarHBondContact O-OG1 2.73Å | ||
| 99 | Y | 94.7 | Very high | 93.6 | Very high | 27 Ų | 27 | 74.4 Ų | 74.4 | 11% | 0.106 | 39% | 0.385 | C | S | . | . | S | Bend | trans | -108.8 | 150.7 | -173.4 | -50.4 | -78.8 | 0 | 0 | 0 | 111.8 | E80 V82 N97 D101 M103 A124 F129 | E80-Y99 WeakPolarHBondContact O-CE2 3.4Å; E80-Y99 VanDerWaalsContact O-CZ 3.29Å; E80-Y99 PolarHBondContact O-OH 3.1Å; V82-Y99 HydrophobicContact CG2-CD2 4.37Å; N97-Y99 PolarHBondContact ND2-O 3.43Å; N97-Y99 PolarHBondContact O-N 3.17Å; N97-Y99 WeakPolarHBondContact OD1-CB 3.49Å; N97-Y99 WeakPolarHBondContact OD1-CD2 3.19Å; N97-Y99 PolarHBondContact OD1-N 3.49Å; N97-Y99 PolarHBondContact OD1-O 3.3Å; Y99-D101 PolarHBondContact O-N 3.46Å; Y99-M103 HydrophobicContact CD1-CE 4.39Å; Y99-A124 HydrophobicContact CE1-CB 4.15Å; Y99-A124 WeakPolarHBondContact OH-CB 3.34Å; Y99-F129 HydrophobicContact CD1-CE1 4.09Å; Y99-F129 HydrophobicContact CD1-CZ 4.29Å; Y99-F129 HydrophobicContact CD2-CD1 4.48Å; Y99-F129 AromaticContact CD2-CE1 3.34Å; Y99-F129 HydrophobicContact CD2-CE1 3.34Å; Y99-F129 AromaticContact CD2-CZ 3.51Å; Y99-F129 HydrophobicContact CD2-CZ 3.51Å; Y99-F129 HydrophobicContact CE1-CE1 4.17Å; Y99-F129 HydrophobicContact CE2-CD1 4.34Å; Y99-F129 AromaticContact CE2-CE1 3.45Å; Y99-F129 HydrophobicContact CE2-CE1 3.45Å; Y99-F129 VanDerWaalsContact CE2-CE1 3.45Å; Y99-F129 HydrophobicContact CE2-CZ 4.12Å; Y99-F129 AromaticContact CG-CE1 3.68Å; Y99-F129 HydrophobicContact CG-CE1 3.68Å; Y99-F129 AromaticContact CG-CZ 3.61Å; Y99-F129 HydrophobicContact CG-CZ 3.61Å; Y99-F129 AromaticContact CZ-CE1 3.87Å |
| 100 | P | 95.2 | Very high | 93.8 | Very high | 82 Ų | 82 | 69.9 Ų | 69.9 | 53% | 0.532 | 36% | 0.361 | S | S | . | . | trans | -47.4 | 134.2 | 165 | -30.1 | 31.5 | 0 | 0 | 0 | 113.5 | E102 M103 L104 | P100-E102 PolarHBondContact O-N 3.42Å; P100-E102 VanDerWaalsContact O-N 3.15Å; P100-M103 HydrophobicContact CB-CE 4.32Å; P100-M103 VanDerWaalsContact CD-CE 3.41Å; P100-M103 HydrophobicContact CG-CE 3.78Å; P100-M103 WeakPolarHBondContact O-CB 3.41Å; P100-M103 PolarHBondContact O-N 2.85Å; P100-L104 PolarHBondContact O-N 2.93Å | ||
| 101 | D | 94.3 | Very high | 94.2 | Very high | 129 Ų | 129 | 63.1 Ų | 63.1 | 69% | 0.69 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -53.4 | -38.4 | -178.6 | -61.1 | -19.1 | 0 | 0 | 0 | 113.1 | Y99 M103 L104 K105 | Y99-D101 PolarHBondContact O-N 3.46Å; D101-M103 VanDerWaalsContact C-N 3.31Å; D101-M103 PolarHBondContact O-N 2.83Å; D101-L104 PolarHBondContact O-N 2.91Å; D101-K105 WeakPolarHBondContact O-CB 3.32Å; D101-K105 PolarHBondContact O-N 2.57Å |
| 102 | E | 96.4 | Very high | 94.5 | Very high | 111 Ų | 111 | 57.1 Ų | 57.1 | 52% | 0.519 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -66.2 | -32.6 | 179.1 | -176.3 | 61.4 | -163 | 0 | 0 | 112.7 | P100 E106 R110 | P100-E102 PolarHBondContact O-N 3.42Å; P100-E102 VanDerWaalsContact O-N 3.15Å; E102-E106 WeakPolarHBondContact O-CB 3.49Å; E102-E106 PolarHBondContact O-N 3.43Å; E102-R110 IonicContact OE1-CZ 2.71Å; E102-R110 IonicContact OE1-NH1 2.71Å; E102-R110 IonicContact OE1-NH2 3.18Å; E102-R110 PolarHBondContact OE1-NH2 2.83Å |
| 103 | M | 96.6 | Very high | 94.8 | Very high | 34 Ų | 34 | 51.2 Ų | 51.2 | 17% | 0.167 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -69.5 | -44 | 173.8 | -75 | -159 | -63.2 | 0 | 0 | 110.5 | Y13 Y99 P100 D101 K105 E106 L107 F129 | Y13-M103 PolarHBondContact OH-SD 3.27Å; Y99-M103 HydrophobicContact CD1-CE 4.39Å; P100-M103 HydrophobicContact CB-CE 4.32Å; P100-M103 VanDerWaalsContact CD-CE 3.41Å; P100-M103 HydrophobicContact CG-CE 3.78Å; P100-M103 WeakPolarHBondContact O-CB 3.41Å; P100-M103 PolarHBondContact O-N 2.85Å; D101-M103 VanDerWaalsContact C-N 3.31Å; D101-M103 PolarHBondContact O-N 2.83Å; M103-K105 VanDerWaalsContact C-N 3.28Å; M103-K105 PolarHBondContact O-N 2.83Å; M103-E106 PolarHBondContact O-N 3.2Å; M103-L107 PolarHBondContact O-N 2.82Å; M103-F129 HydrophobicContact CB-CD2 4.45Å; M103-F129 HydrophobicContact CB-CE2 3.95Å |
| 104 | L | 96.6 | Very high | 95.2 | Very high | 25 Ų | 25 | 48.3 Ų | 48.3 | 13% | 0.131 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.2 | -44.9 | 176.3 | -175.9 | 64.5 | 0 | 0 | 0 | 110 | I79 V82 N97 P100 D101 L107 V108 F129 | I79-L104 HydrophobicContact CD1-CD1 3.48Å; I79-L104 VanDerWaalsContact CD1-CD1 3.48Å; V82-L104 HydrophobicContact CG2-CD1 4.28Å; N97-L104 WeakPolarHBondContact ND2-CD2 3.38Å; P100-L104 PolarHBondContact O-N 2.93Å; D101-L104 PolarHBondContact O-N 2.91Å; L104-L107 PolarHBondContact O-N 2.84Å; L104-V108 HydrophobicContact CD1-CG2 3.9Å; L104-V108 HydrophobicContact CG-CG2 4.19Å; L104-V108 WeakPolarHBondContact O-CB 3.46Å; L104-V108 VanDerWaalsContact O-CG2 3.29Å; L104-V108 WeakPolarHBondContact O-CG2 3.23Å; L104-V108 PolarHBondContact O-N 2.83Å; L104-F129 HydrophobicContact CD1-CZ 4.21Å |
| 105 | K | 97 | Very high | 95.5 | Very high | 97 Ų | 97 | 52.2 Ų | 52.2 | 42% | 0.422 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -63.2 | -42.3 | 176.5 | -165.6 | 174.2 | -172.4 | 178.5 | 0 | 113.2 | D101 M103 L107 E109 | D101-K105 WeakPolarHBondContact O-CB 3.32Å; D101-K105 PolarHBondContact O-N 2.57Å; M103-K105 VanDerWaalsContact C-N 3.28Å; M103-K105 PolarHBondContact O-N 2.83Å; K105-L107 VanDerWaalsContact C-N 3.29Å; K105-L107 PolarHBondContact O-N 2.94Å; K105-E109 VanDerWaalsContact CE-CD 3.43Å; K105-E109 WeakPolarHBondContact CE-OE1 3.4Å; K105-E109 WeakPolarHBondContact CE-OE2 3.49Å; K105-E109 HydrophobicContact CG-CB 4.38Å; K105-E109 HydrophobicContact CG-CG 4.2Å; K105-E109 WeakPolarHBondContact CG-OE2 3.14Å; K105-E109 IonicContact NZ-OE2 2.73Å; K105-E109 WeakPolarHBondContact O-CB 3.34Å; K105-E109 PolarHBondContact O-N 3.43Å |
| 106 | E | 98.5 | Very high | 95.9 | Very high | 54 Ų | 54 | 49.4 Ų | 49.4 | 25% | 0.252 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -58.4 | -41.4 | 173.5 | -170.9 | 179.4 | 167.5 | 0 | 0 | 112.1 | K12 Y13 E102 M103 R110 T111 | K12-E106 VanDerWaalsContact CB-OE1 3.28Å; K12-E106 WeakPolarHBondContact CB-OE1 3.31Å; Y13-E106 HydrophobicContact CD2-CG 4.39Å; Y13-E106 HydrophobicContact CE2-CB 4.17Å; Y13-E106 HydrophobicContact CE2-CG 4.1Å; E102-E106 WeakPolarHBondContact O-CB 3.49Å; E102-E106 PolarHBondContact O-N 3.43Å; M103-E106 PolarHBondContact O-N 3.2Å; E106-R110 CarbonylContact O-C 3.57Å; E106-R110 VanDerWaalsContact O-C 3.29Å; E106-R110 WeakPolarHBondContact O-CA 3.46Å; E106-R110 WeakPolarHBondContact O-CB 3.01Å; E106-R110 PolarHBondContact O-N 3.37Å; E106-T111 PolarHBondContact O-N 3.19Å; E106-T111 VanDerWaalsContact O-N 3.14Å; E106-T111 PolarHBondContact O-OG1 3.22Å |
| 107 | L | 98.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -70.3 | -54.3 | 178.4 | 175.6 | 57 | 0 | 0 | 0 | 111.8 | Y13 I79 M103 L104 K105 T111 W122 F129 | Y13-L107 HydrophobicContact CD2-CB 3.99Å; Y13-L107 HydrophobicContact CD2-CD1 4.23Å; Y13-L107 HydrophobicContact CE2-CB 4.24Å; Y13-L107 HydrophobicContact CG-CD1 4.33Å; I79-L107 HydrophobicContact CD1-CD2 3.74Å; I79-L107 HydrophobicContact CD1-CG 4.42Å; I79-L107 HydrophobicContact CG1-CD2 4.2Å; I79-L107 HydrophobicContact CG2-CD2 4.3Å; M103-L107 PolarHBondContact O-N 2.82Å; L104-L107 PolarHBondContact O-N 2.84Å; K105-L107 VanDerWaalsContact C-N 3.29Å; K105-L107 PolarHBondContact O-N 2.94Å; L107-T111 HydrophobicContact CD1-CG2 4.42Å; L107-T111 WeakPolarHBondContact O-CB 3.44Å; L107-W122 HydrophobicContact CD1-CD2 3.45Å; L107-W122 VanDerWaalsContact CD1-CD2 3.45Å; L107-W122 HydrophobicContact CD1-CE3 3.8Å; L107-W122 HydrophobicContact CD1-CG 3.94Å; L107-W122 HydrophobicContact CD1-CH2 3.81Å; L107-W122 HydrophobicContact CD1-CZ2 3.48Å; L107-W122 VanDerWaalsContact CD1-CZ2 3.48Å; L107-W122 HydrophobicContact CD1-CZ3 3.95Å; L107-W122 HydrophobicContact CD2-CB 4.08Å; L107-W122 HydrophobicContact CD2-CD2 4.21Å; L107-W122 HydrophobicContact CD2-CG 3.81Å; L107-W122 HydrophobicContact CG-CD2 4.37Å; L107-W122 HydrophobicContact CG-CG 4.47Å; L107-F129 HydrophobicContact CB-CD2 3.94Å; L107-F129 HydrophobicContact CB-CE2 4.08Å; L107-F129 HydrophobicContact CD2-CB 4.17Å; L107-F129 HydrophobicContact CD2-CD1 3.97Å; L107-F129 HydrophobicContact CD2-CD2 3.59Å; L107-F129 HydrophobicContact CD2-CE1 4.25Å; L107-F129 HydrophobicContact CD2-CE2 3.88Å; L107-F129 HydrophobicContact CD2-CG 3.64Å; L107-F129 HydrophobicContact CD2-CZ 4.21Å; L107-F129 HydrophobicContact CG-CD2 4.36Å |
| 108 | V | 98 | Very high | 96.6 | Very high | 14 Ų | 14 | 54.6 Ų | 54.6 | 9% | 0.085 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -70.4 | -41.3 | -171.9 | 169.9 | 0 | 0 | 0 | 0 | 112.3 | F73 Q74 D76 I79 L104 | F73-V108 PolarHBondContact N-O 2.94Å; Q74-V108 WeakPolarHBondContact O-CG1 3.42Å; D76-V108 HydrophobicContact CB-CG2 3.91Å; I79-V108 HydrophobicContact CD1-CG2 3.89Å; L104-V108 HydrophobicContact CD1-CG2 3.9Å; L104-V108 HydrophobicContact CG-CG2 4.19Å; L104-V108 WeakPolarHBondContact O-CB 3.46Å; L104-V108 VanDerWaalsContact O-CG2 3.29Å; L104-V108 WeakPolarHBondContact O-CG2 3.23Å; L104-V108 PolarHBondContact O-N 2.83Å |
| 109 | E | 98.6 | Very high | 96.7 | Very high | 59 Ų | 59 | 54.8 Ų | 54.8 | 28% | 0.276 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -107.9 | -17.4 | -169.4 | -63.5 | -178.6 | -162.2 | 0 | 0 | 114 | A66 F73 K105 | A66-E109 HydrophobicContact CB-CB 3.58Å; A66-E109 HydrophobicContact CB-CG 3.95Å; A66-E109 WeakPolarHBondContact CB-O 3.22Å; F73-E109 WeakPolarHBondContact CD2-O 3.2Å; F73-E109 WeakPolarHBondContact CE2-O 3.25Å; K105-E109 VanDerWaalsContact CE-CD 3.43Å; K105-E109 WeakPolarHBondContact CE-OE1 3.4Å; K105-E109 WeakPolarHBondContact CE-OE2 3.49Å; K105-E109 HydrophobicContact CG-CB 4.38Å; K105-E109 HydrophobicContact CG-CG 4.2Å; K105-E109 WeakPolarHBondContact CG-OE2 3.14Å; K105-E109 IonicContact NZ-OE2 2.73Å; K105-E109 WeakPolarHBondContact O-CB 3.34Å; K105-E109 PolarHBondContact O-N 3.43Å |
| 110 | R | 98.7 | Very high | 96.8 | Very high | 60 Ų | 60 | 54.6 Ų | 54.6 | 23% | 0.226 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -130.1 | 7.4 | -170.9 | -63.1 | -178.4 | -65.5 | 168.4 | -0.3 | 115 | F11 I60 E102 E106 | F11-R110 WeakPolarHBondContact CD1-O 3.49Å; F11-R110 WeakPolarHBondContact CE1-O 3.32Å; I60-R110 VanDerWaalsContact O-CA 3.29Å; I60-R110 WeakPolarHBondContact O-CA 3.37Å; E102-R110 IonicContact OE1-CZ 2.71Å; E102-R110 IonicContact OE1-NH1 2.71Å; E102-R110 IonicContact OE1-NH2 3.18Å; E102-R110 PolarHBondContact OE1-NH2 2.83Å; E106-R110 CarbonylContact O-C 3.57Å; E106-R110 VanDerWaalsContact O-C 3.29Å; E106-R110 WeakPolarHBondContact O-CA 3.46Å; E106-R110 WeakPolarHBondContact O-CB 3.01Å; E106-R110 PolarHBondContact O-N 3.37Å |
| 111 | T | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 25% | 0.25 | C | C | . | . | S | Bend | trans | -118.9 | 128 | 175.5 | -59.6 | 0 | 0 | 0 | 0 | 109 | H14 F73 E106 L107 G113 W122 | H14-T111 HydrophobicContact CB-CG2 3.56Å; F73-T111 WeakPolarHBondContact CB-O 3.36Å; E106-T111 PolarHBondContact O-N 3.19Å; E106-T111 VanDerWaalsContact O-N 3.14Å; E106-T111 PolarHBondContact O-OG1 3.22Å; L107-T111 HydrophobicContact CD1-CG2 4.42Å; L107-T111 WeakPolarHBondContact O-CB 3.44Å; T111-G113 PolarHBondContact O-N 3.24Å; T111-W122 HydrophobicContact CG2-CH2 3.78Å; T111-W122 HydrophobicContact CG2-CZ2 4.01Å |
| 112 | P | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 22% | 0.217 | C | C | . | . | trans | -62.3 | 135.3 | 173.3 | 26.9 | -33.2 | 0 | 0 | 0 | 110.1 | F11 H14 P17 F23 Y42 I60 | F11-P112 HydrophobicContact CD1-CG 4.4Å; F11-P112 HydrophobicContact CD2-CG 4.34Å; F11-P112 HydrophobicContact CG-CG 4.27Å; H14-P112 HydrophobicContact CB-CG 4.15Å; H14-P112 PolarHBondContact ND1-O 3.21Å; P17-P112 HydrophobicContact CB-CG 4.09Å; F23-P112 HydrophobicContact CE1-CB 3.78Å; F23-P112 HydrophobicContact CE1-CG 3.98Å; F23-P112 HydrophobicContact CZ-CB 4.2Å; F23-P112 HydrophobicContact CZ-CG 3.9Å; Y42-P112 HydrophobicContact CD2-CB 3.75Å; Y42-P112 HydrophobicContact CE2-CB 3.56Å; I60-P112 HydrophobicContact CD1-CB 4.49Å | ||
| 113 | G | 97.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 19% | 0.193 | C | C | . | . | trans | -66 | 177.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | H14 Y42 T111 | H14-G113 PolarHBondContact CE1-O 3.49Å; H14-G113 PolarHBondContact ND1-O 3.01Å; Y42-G113 VanDerWaalsContact OH-CA 3.31Å; Y42-G113 WeakPolarHBondContact OH-CA 3.31Å; Y42-G113 PolarHBondContact OH-N 3.18Å; T111-G113 PolarHBondContact O-N 3.24Å | ||
| 114 | Y | 97.5 | Very high | 97.3 | Very high | 1 Ų | 1 | 40.5 Ų | 40.5 | 0% | 0.004 | 19% | 0.186 | C | C | . | . | trans | -114.8 | 163.3 | 163 | 68.7 | -87.5 | 0 | 0 | 0 | 108.1 | P45 E120 F121 W122 F132 Y135 Y178 F180 | P45-Y114 WeakPolarHBondContact CD-O 3.42Å; P45-Y114 VanDerWaalsContact CG-O 3.25Å; P45-Y114 WeakPolarHBondContact CG-O 3.33Å; Y114-E120 HydrophobicContact CD1-CG 4.43Å; Y114-E120 HydrophobicContact CD2-CG 3.97Å; Y114-E120 HydrophobicContact CE1-CB 3.94Å; Y114-E120 HydrophobicContact CE1-CG 4.19Å; Y114-E120 HydrophobicContact CE2-CB 4.07Å; Y114-E120 HydrophobicContact CE2-CG 3.72Å; Y114-E120 HydrophobicContact CG-CG 4.32Å; Y114-E120 WeakPolarHBondContact O-CG 3.02Å; Y114-E120 VanDerWaalsContact O-OE1 3.06Å; Y114-F121 PolarHBondContact OH-N 3.42Å; Y114-F121 PolarHBondContact OH-O 3.15Å; Y114-F121 VanDerWaalsContact OH-O 3.06Å; Y114-W122 HydrophobicContact CD1-CE3 4.24Å; Y114-W122 HydrophobicContact CD1-CZ3 4.07Å; Y114-W122 HydrophobicContact CE1-CE3 4.11Å; Y114-W122 HydrophobicContact CE1-CZ3 4.4Å; Y114-F132 HydrophobicContact CD1-CD1 4.42Å; Y114-F132 HydrophobicContact CD1-CD2 4.13Å; Y114-F132 HydrophobicContact CD1-CE2 4.38Å; Y114-F132 HydrophobicContact CD1-CG 4.15Å; Y114-F132 HydrophobicContact CD2-CE2 4.24Å; Y114-F132 HydrophobicContact CD2-CZ 4.27Å; Y114-F132 HydrophobicContact CG-CD1 4.3Å; Y114-F132 HydrophobicContact CG-CD2 4.21Å; Y114-F132 HydrophobicContact CG-CE1 4.09Å; Y114-F132 HydrophobicContact CG-CE2 4Å; Y114-F132 HydrophobicContact CG-CG 4.35Å; Y114-F132 AromaticContact CG-CZ 3.93Å; Y114-F132 HydrophobicContact CG-CZ 3.93Å; Y114-Y135 HydrophobicContact CD2-CE1 4.47Å; Y114-Y178 AromaticContact CD2-CD1 3.43Å; Y114-Y178 HydrophobicContact CD2-CD1 3.43Å; Y114-Y178 VanDerWaalsContact CD2-CD1 3.43Å; Y114-Y178 AromaticContact CD2-CE1 3.8Å; Y114-Y178 HydrophobicContact CD2-CE1 3.8Å; Y114-Y178 HydrophobicContact CD2-CG 4.14Å; Y114-Y178 AromaticContact CE2-CD1 3.24Å; Y114-Y178 HydrophobicContact CE2-CD1 3.24Å; Y114-Y178 HydrophobicContact CE2-CD2 4.15Å; Y114-Y178 AromaticContact CE2-CE1 3.63Å; Y114-Y178 HydrophobicContact CE2-CE1 3.63Å; Y114-Y178 HydrophobicContact CE2-CE2 4.47Å; Y114-Y178 AromaticContact CE2-CG 3.54Å; Y114-Y178 HydrophobicContact CE2-CG 3.54Å; Y114-F180 HydrophobicContact CD1-CZ 4.36Å; Y114-F180 HydrophobicContact CE1-CE1 4.44Å; Y114-F180 AromaticContact CE1-CZ 3.64Å; Y114-F180 HydrophobicContact CE1-CZ 3.64Å | ||
| 115 | H | 94.9 | Very high | 97.4 | Very high | 100 Ų | 100 | 41.8 Ų | 41.8 | 46% | 0.463 | 19% | 0.192 | S | C | . | . | trans | -90.6 | 122.2 | 172.9 | -82.3 | -71.5 | 0 | 0 | 0 | 111.9 | G44 E120 Y135 Y178 | G44-H115 VanDerWaalsContact C-NE2 3.33Å; G44-H115 PolarHBondContact O-NE2 2.87Å; H115-E120 WeakPolarHBondContact CA-OE1 3.46Å; H115-Y135 PolarHBondContact N-OH 3.47Å; H115-Y135 VanDerWaalsContact O-CE1 3.22Å; H115-Y135 WeakPolarHBondContact O-CE1 3.22Å; H115-Y135 PolarHBondContact O-OH 2.97Å; H115-Y178 WeakPolarHBondContact O-CE1 3.32Å | ||
| 116 | G | 95.6 | Very high | 97.4 | Very high | 19 Ų | 19 | 40.7 Ų | 40.7 | 20% | 0.196 | 20% | 0.195 | C | C | . | . | trans | -91.5 | 168.2 | 166.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q118 E120 Y178 | G116-Q118 CarbonylContact C-O 3.05Å; G116-E120 PolarHBondContact N-OE1 3.21Å; G116-Y178 WeakPolarHBondContact CA-OH 3.09Å | ||
| 117 | W | 95.3 | Very high | 97.3 | Very high | 128 Ų | 128 | 40.8 Ų | 40.8 | 49% | 0.485 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -76.5 | -40.5 | 160.1 | -72 | 131 | 0 | 0 | 0 | 110.8 | G173 Y178 D193 | W117-G173 PolarHBondContact NE1-O 3.22Å; W117-Y178 PolarHBondContact N-OH 3.31Å; W117-Y178 VanDerWaalsContact N-OH 3.15Å; W117-D193 WeakPolarHBondContact CA-OD2 3.45Å; W117-D193 PolarHBondContact N-OD2 3.19Å |
| 118 | Q | 94.9 | Very high | 97.2 | Very high | 112 Ų | 112 | 41.3 Ų | 41.3 | 52% | 0.523 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -105.7 | -174.3 | 170.8 | -58.5 | -63.9 | -29.1 | 0 | 0 | 109.3 | G116 E120 D193 F194 | G116-Q118 CarbonylContact C-O 3.05Å; Q118-E120 PolarHBondContact O-N 3Å; Q118-D193 HydrophobicContact CB-CB 4.19Å; Q118-D193 HydrophobicContact CG-CB 4.14Å; Q118-D193 PolarHBondContact N-OD2 2.95Å; Q118-F194 PolarHBondContact NE2-O 3.35Å |
| 119 | Q | 94.9 | Very high | 97.2 | Very high | 98 Ų | 98 | 40.7 Ų | 40.7 | 46% | 0.458 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -50.5 | 126.7 | 171.9 | -178.5 | 56.2 | 57.9 | 0 | 0 | 110.9 | S78 | S78-Q119 WeakPolarHBondContact OG-CG 3.34Š|
| 120 | E | 97 | Very high | 97.2 | Very high | 24 Ų | 24 | 37.9 Ų | 37.9 | 11% | 0.112 | 20% | 0.197 | C | C | . | . | trans | -63.5 | 137.5 | 177.1 | -65.7 | 82.7 | -173.7 | 0 | 0 | 111.3 | Q74 S78 Y114 H115 G116 Q118 | Q74-E120 PolarHBondContact NE2-O 3.44Å; S78-E120 WeakPolarHBondContact CB-O 3.31Å; Y114-E120 HydrophobicContact CD1-CG 4.43Å; Y114-E120 HydrophobicContact CD2-CG 3.97Å; Y114-E120 HydrophobicContact CE1-CB 3.94Å; Y114-E120 HydrophobicContact CE1-CG 4.19Å; Y114-E120 HydrophobicContact CE2-CB 4.07Å; Y114-E120 HydrophobicContact CE2-CG 3.72Å; Y114-E120 HydrophobicContact CG-CG 4.32Å; Y114-E120 WeakPolarHBondContact O-CG 3.02Å; Y114-E120 VanDerWaalsContact O-OE1 3.06Å; H115-E120 WeakPolarHBondContact CA-OE1 3.46Å; G116-E120 PolarHBondContact N-OE1 3.21Å; Q118-E120 PolarHBondContact O-N 3Å | ||
| 121 | F | 97.7 | Very high | 97.3 | Very high | 54 Ų | 54 | 35.2 Ų | 35.2 | 24% | 0.237 | 19% | 0.187 | C | C | . | . | trans | -124.6 | 116.3 | -179.7 | -164.1 | -95.1 | 0 | 0 | 0 | 110.9 | S78 E80 Y114 L123 W191 | S78-F121 WeakPolarHBondContact O-CA 3.29Å; E80-F121 HydrophobicContact CB-CE1 3.83Å; E80-F121 HydrophobicContact CB-CZ 4.26Å; Y114-F121 PolarHBondContact OH-N 3.42Å; Y114-F121 PolarHBondContact OH-O 3.15Å; Y114-F121 VanDerWaalsContact OH-O 3.06Å; F121-L123 HydrophobicContact CD1-CD2 3.8Å; F121-L123 HydrophobicContact CE1-CD2 4.03Å; F121-W191 HydrophobicContact CB-CD2 4Å; F121-W191 HydrophobicContact CB-CG 4.32Å; F121-W191 HydrophobicContact CB-CZ2 3.82Å; F121-W191 HydrophobicContact CD1-CD2 4.27Å; F121-W191 HydrophobicContact CD1-CE3 4.16Å; F121-W191 HydrophobicContact CD1-CH2 4.27Å; F121-W191 HydrophobicContact CD1-CZ2 4.39Å; F121-W191 HydrophobicContact CD1-CZ3 4.14Å; F121-W191 HydrophobicContact CG-CD2 4.49Å; F121-W191 HydrophobicContact CG-CH2 4.35Å; F121-W191 HydrophobicContact CG-CZ2 4.1Å | ||
| 122 | W | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.188 | C | C | . | . | B | Isolated β-bridge | trans | -89.5 | 123.5 | -175.1 | -144 | -74.1 | 0 | 0 | 0 | 112.3 | Y13 H14 Q74 S78 I79 E80 L107 T111 Y114 C130 F132 F180 | Y13-W122 WeakPolarHBondContact O-CZ2 3.09Å; H14-W122 HydrophobicContact CB-CH2 4.5Å; Q74-W122 HydrophobicContact CB-CE3 4.17Å; Q74-W122 HydrophobicContact CB-CZ3 4.32Å; Q74-W122 HydrophobicContact CG-CB 4.38Å; Q74-W122 HydrophobicContact CG-CE3 3.82Å; Q74-W122 HydrophobicContact CG-CZ3 4.46Å; S78-W122 PolarHBondContact O-N 3.46Å; I79-W122 HydrophobicContact CG1-CB 4.12Å; E80-W122 PolarHBondContact N-O 2.92Å; L107-W122 HydrophobicContact CD1-CD2 3.45Å; L107-W122 VanDerWaalsContact CD1-CD2 3.45Å; L107-W122 HydrophobicContact CD1-CE3 3.8Å; L107-W122 HydrophobicContact CD1-CG 3.94Å; L107-W122 HydrophobicContact CD1-CH2 3.81Å; L107-W122 HydrophobicContact CD1-CZ2 3.48Å; L107-W122 VanDerWaalsContact CD1-CZ2 3.48Å; L107-W122 HydrophobicContact CD1-CZ3 3.95Å; L107-W122 HydrophobicContact CD2-CB 4.08Å; L107-W122 HydrophobicContact CD2-CD2 4.21Å; L107-W122 HydrophobicContact CD2-CG 3.81Å; L107-W122 HydrophobicContact CG-CD2 4.37Å; L107-W122 HydrophobicContact CG-CG 4.47Å; T111-W122 HydrophobicContact CG2-CH2 3.78Å; T111-W122 HydrophobicContact CG2-CZ2 4.01Å; Y114-W122 HydrophobicContact CD1-CE3 4.24Å; Y114-W122 HydrophobicContact CD1-CZ3 4.07Å; Y114-W122 HydrophobicContact CE1-CE3 4.11Å; Y114-W122 HydrophobicContact CE1-CZ3 4.4Å; W122-C130 PolarHBondContact NE1-O 3.11Å; W122-F132 HydrophobicContact CZ2-CB 4.15Å; W122-F180 AromaticContact CD1-CE1 3.79Å; W122-F180 HydrophobicContact CD2-CE1 4.06Å; W122-F180 AromaticContact CE2-CE1 3.93Å; W122-F180 HydrophobicContact CG-CE1 4.03Å; W122-F180 AromaticContact NE1-CE1 3.7Å |
| 123 | L | 98.4 | Very high | 97.2 | Very high | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | trans | -86.2 | 151.5 | -177.4 | -58.8 | -176.5 | 0 | 0 | 0 | 112.9 | F121 C130 F180 R189 L190 W191 | F121-L123 HydrophobicContact CD1-CD2 3.8Å; F121-L123 HydrophobicContact CE1-CD2 4.03Å; L123-C130 WeakPolarHBondContact O-CB 3.47Å; L123-C130 PolarHBondContact O-N 3.08Å; L123-F180 HydrophobicContact CB-CD1 4.48Å; L123-F180 HydrophobicContact CB-CD2 4.34Å; L123-F180 HydrophobicContact CB-CG 4.22Å; L123-F180 HydrophobicContact CD1-CD2 3.85Å; L123-F180 HydrophobicContact CD1-CE2 4.32Å; L123-F180 HydrophobicContact CD1-CG 4.39Å; L123-F180 HydrophobicContact CG-CD2 4.09Å; L123-F180 HydrophobicContact CG-CE2 4.22Å; L123-F180 HydrophobicContact CG-CG 4.47Å; L123-R189 HydrophobicContact CB-CB 4.32Å; L123-R189 HydrophobicContact CD1-CB 3.64Å; L123-L190 VanDerWaalsContact CD1-C 3.48Å; L123-W191 HydrophobicContact CD1-CB 3.99Å; L123-W191 HydrophobicContact CD2-CE3 4.15Å; L123-W191 HydrophobicContact CG-CB 4.29Å | ||
| 124 | A | 98.1 | Very high | 97.3 | Very high | 4 Ų | 4 | 38 Ų | 38 | 3% | 0.033 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 151.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | E80 Y99 D128 F129 R189 | E80-A124 HydrophobicContact CB-CB 4.25Å; E80-A124 PolarHBondContact OE2-N 3.01Å; Y99-A124 HydrophobicContact CE1-CB 4.15Å; Y99-A124 WeakPolarHBondContact OH-CB 3.34Å; A124-D128 CarbonylContact C-O 3.54Å; A124-D128 WeakPolarHBondContact CA-O 3.46Å; A124-F129 HydrophobicContact CB-CD1 4.06Å; A124-R189 PolarHBondContact O-NH1 3.32Å |
| 125 | H | 98.2 | Very high | 97.3 | Very high | 53 Ų | 53 | 40 Ų | 40 | 25% | 0.245 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.6 | 142.7 | 176.5 | -170.4 | -105.3 | 0 | 0 | 0 | 110.4 | G127 D128 C130 A149 C182 C185 R189 | H125-G127 PolarHBondContact O-N 2.93Å; H125-D128 PolarHBondContact N-O 3.17Å; H125-C130 VanDerWaalsContact CB-SG 3.59Å; H125-A149 WeakPolarHBondContact NE2-CB 3.47Å; H125-C182 HydrophobicContact CB-CB 3.88Å; H125-C182 PolarHBondContact ND1-SG 3.16Å; H125-C182 PolarHBondContact O-SG 3Å; H125-C182 VanDerWaalsContact O-SG 3.42Å; H125-C185 PolarHBondContact CE1-SG 3.27Å; H125-C185 PolarHBondContact ND1-SG 2.93Å; H125-C185 VanDerWaalsContact ND1-SG 3.43Å; H125-R189 HydrophobicContact CB-CG 4.33Å |
| 126 | C | 97.3 | Very high | 97.4 | Very high | 73 Ų | 73 | 35.9 Ų | 35.9 | 49% | 0.493 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.8 | 34.9 | -174.6 | -60.5 | 0 | 0 | 0 | 0 | 113.9 | H184 | C126-H184 HydrophobicContact CB-CB 3.93Š|
| 127 | G | 95.8 | Very high | 97.6 | Very high | 57 Ų | 57 | 35.1 Ų | 35.1 | 59% | 0.588 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 77 | 19.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | H125 | H125-G127 PolarHBondContact O-N 2.93Š|
| 128 | D | 97.5 | Very high | 97.7 | Very high | 10 Ų | 10 | 32 Ų | 32 | 5% | 0.053 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 159.7 | 175.6 | -162.7 | -9.9 | 0 | 0 | 0 | 109.4 | K12 Y13 A124 H125 H184 | K12-D128 WeakPolarHBondContact CE-OD2 3.32Å; K12-D128 IonicContact NZ-OD1 3.48Å; K12-D128 PolarHBondContact NZ-OD1 2.83Å; K12-D128 IonicContact NZ-OD2 2.83Å; K12-D128 PolarHBondContact NZ-OD2 2.77Å; Y13-D128 VanDerWaalsContact CE1-OD1 3.25Å; Y13-D128 WeakPolarHBondContact CE1-OD1 3.37Å; Y13-D128 PolarHBondContact OH-OD1 2.85Å; A124-D128 CarbonylContact C-O 3.54Å; A124-D128 WeakPolarHBondContact CA-O 3.46Å; H125-D128 PolarHBondContact N-O 3.17Å; D128-H184 WeakPolarHBondContact CB-NE2 3.48Å; D128-H184 IonicContact OD2-CE1 3.58Å; D128-H184 IonicContact OD2-NE2 3.47Å; D128-H184 PolarHBondContact OD2-NE2 3.31Å |
| 129 | F | 98.4 | Very high | 97.8 | Very high | 1 Ų | 1 | 32.1 Ų | 32.1 | 0% | 0.004 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 142.3 | 176 | -50.1 | -57 | 0 | 0 | 0 | 110.6 | Y13 I79 Y99 M103 L104 L107 A124 | Y13-F129 HydrophobicContact CD1-CB 3.7Å; Y13-F129 WeakPolarHBondContact CD1-O 3.29Å; Y13-F129 HydrophobicContact CE1-CB 3.56Å; Y13-F129 HydrophobicContact CE1-CD2 4.14Å; Y13-F129 HydrophobicContact CE1-CG 4.34Å; Y13-F129 WeakPolarHBondContact CE1-O 3.24Å; Y13-F129 AromaticContact CE2-CD2 3.99Å; Y13-F129 HydrophobicContact CE2-CD2 3.99Å; Y13-F129 HydrophobicContact CG-CB 4.32Å; Y13-F129 AromaticContact CZ-CD2 3.72Å; I79-F129 HydrophobicContact CG2-CD1 3.85Å; I79-F129 HydrophobicContact CG2-CE1 3.35Å; I79-F129 HydrophobicContact CG2-CZ 4.1Å; Y99-F129 HydrophobicContact CD1-CE1 4.09Å; Y99-F129 HydrophobicContact CD1-CZ 4.29Å; Y99-F129 HydrophobicContact CD2-CD1 4.48Å; Y99-F129 AromaticContact CD2-CE1 3.34Å; Y99-F129 HydrophobicContact CD2-CE1 3.34Å; Y99-F129 AromaticContact CD2-CZ 3.51Å; Y99-F129 HydrophobicContact CD2-CZ 3.51Å; Y99-F129 HydrophobicContact CE1-CE1 4.17Å; Y99-F129 HydrophobicContact CE2-CD1 4.34Å; Y99-F129 AromaticContact CE2-CE1 3.45Å; Y99-F129 HydrophobicContact CE2-CE1 3.45Å; Y99-F129 VanDerWaalsContact CE2-CE1 3.45Å; Y99-F129 HydrophobicContact CE2-CZ 4.12Å; Y99-F129 AromaticContact CG-CE1 3.68Å; Y99-F129 HydrophobicContact CG-CE1 3.68Å; Y99-F129 AromaticContact CG-CZ 3.61Å; Y99-F129 HydrophobicContact CG-CZ 3.61Å; Y99-F129 AromaticContact CZ-CE1 3.87Å; M103-F129 HydrophobicContact CB-CD2 4.45Å; M103-F129 HydrophobicContact CB-CE2 3.95Å; L104-F129 HydrophobicContact CD1-CZ 4.21Å; L107-F129 HydrophobicContact CB-CD2 3.94Å; L107-F129 HydrophobicContact CB-CE2 4.08Å; L107-F129 HydrophobicContact CD2-CB 4.17Å; L107-F129 HydrophobicContact CD2-CD1 3.97Å; L107-F129 HydrophobicContact CD2-CD2 3.59Å; L107-F129 HydrophobicContact CD2-CE1 4.25Å; L107-F129 HydrophobicContact CD2-CE2 3.88Å; L107-F129 HydrophobicContact CD2-CG 3.64Å; L107-F129 HydrophobicContact CD2-CZ 4.21Å; L107-F129 HydrophobicContact CG-CD2 4.36Å; A124-F129 HydrophobicContact CB-CD1 4.06Å |
| 130 | C | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | P | Polyproline II helix | trans | -76.1 | 152.8 | 175.7 | -63.7 | 0 | 0 | 0 | 0 | 110.5 | W122 L123 H125 F180 R181 | W122-C130 PolarHBondContact NE1-O 3.11Å; L123-C130 WeakPolarHBondContact O-CB 3.47Å; L123-C130 PolarHBondContact O-N 3.08Å; H125-C130 VanDerWaalsContact CB-SG 3.59Å; C130-F180 HydrophobicContact CB-CB 3.68Å; C130-F180 HydrophobicContact CB-CD1 4.06Å; C130-F180 HydrophobicContact CB-CG 4.3Å; C130-R181 WeakPolarHBondContact CA-O 3.38Å; C130-R181 WeakPolarHBondContact CB-O 3.43Å |
| 131 | A | 98.8 | Very high | 98 | Very high | 4 Ų | 4 | 30.1 Ų | 30.1 | 3% | 0.033 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 124.9 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y13 P15 I133 F180 R181 L183 | Y13-A131 CarbonylContact O-C 3.57Å; Y13-A131 WeakPolarHBondContact O-CA 3.4Å; P15-A131 HydrophobicContact CG-CB 4.08Å; A131-I133 HydrophobicContact CB-CG2 4.4Å; A131-I133 PolarHBondContact O-N 2.86Å; A131-F180 CarbonylContact O-C 3.47Å; A131-F180 WeakPolarHBondContact O-CA 3.23Å; A131-R181 PolarHBondContact N-O 3.19Å; A131-R181 PolarHBondContact O-N 3.02Å; A131-L183 HydrophobicContact CB-CD2 3.75Å |
| 132 | F | 98.8 | Very high | 98 | Very high | 1 Ų | 1 | 31.1 Ų | 31.1 | 0% | 0.004 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 124.9 | 166 | 176.5 | -111.4 | 0 | 0 | 0 | 109.4 | Y13 H14 T20 Y114 W122 G134 Y135 Y178 F180 | Y13-F132 PolarHBondContact O-N 2.67Å; H14-F132 AromaticContact CD2-CD1 3.82Å; H14-F132 AromaticContact CE1-CD1 3.59Å; H14-F132 AromaticContact CE1-CE1 3.93Å; H14-F132 AromaticContact NE2-CD1 3.42Å; H14-F132 WeakPolarHBondContact NE2-CD1 3.34Å; H14-F132 AromaticContact NE2-CE1 3.78Å; T20-F132 HydrophobicContact CG2-CD1 4.2Å; T20-F132 HydrophobicContact CG2-CE1 3.82Å; Y114-F132 HydrophobicContact CD1-CD1 4.42Å; Y114-F132 HydrophobicContact CD1-CD2 4.13Å; Y114-F132 HydrophobicContact CD1-CE2 4.38Å; Y114-F132 HydrophobicContact CD1-CG 4.15Å; Y114-F132 HydrophobicContact CD2-CE2 4.24Å; Y114-F132 HydrophobicContact CD2-CZ 4.27Å; Y114-F132 HydrophobicContact CG-CD1 4.3Å; Y114-F132 HydrophobicContact CG-CD2 4.21Å; Y114-F132 HydrophobicContact CG-CE1 4.09Å; Y114-F132 HydrophobicContact CG-CE2 4Å; Y114-F132 HydrophobicContact CG-CG 4.35Å; Y114-F132 AromaticContact CG-CZ 3.93Å; Y114-F132 HydrophobicContact CG-CZ 3.93Å; W122-F132 HydrophobicContact CZ2-CB 4.15Å; F132-G134 VanDerWaalsContact CZ-CA 3.45Å; F132-Y135 HydrophobicContact CE1-CE2 4.36Å; F132-Y135 HydrophobicContact CZ-CD1 4.47Å; F132-Y135 HydrophobicContact CZ-CD2 4.26Å; F132-Y135 HydrophobicContact CZ-CE1 4.25Å; F132-Y135 AromaticContact CZ-CE2 4Å; F132-Y135 HydrophobicContact CZ-CE2 4Å; F132-Y135 HydrophobicContact CZ-CG 4.49Å; F132-Y178 HydrophobicContact CE2-CD1 4.32Å; F132-F180 HydrophobicContact CB-CD1 3.98Å; F132-F180 HydrophobicContact CB-CE1 3.69Å; F132-F180 HydrophobicContact CB-CZ 4.3Å; F132-F180 HydrophobicContact CD2-CE1 4.15Å; F132-F180 HydrophobicContact CD2-CE2 4.13Å; F132-F180 AromaticContact CD2-CZ 3.93Å; F132-F180 HydrophobicContact CD2-CZ 3.93Å; F132-F180 HydrophobicContact CG-CE1 4.38Å |
| 133 | I | 98.1 | Very high | 97.9 | Very high | 51 Ų | 51 | 37.4 Ų | 37.4 | 26% | 0.262 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | -1.7 | -175.6 | 60.3 | 166.6 | 0 | 0 | 0 | 113.6 | A131 L179 R181 L188 | A131-I133 HydrophobicContact CB-CG2 4.4Å; A131-I133 PolarHBondContact O-N 2.86Å; I133-L179 HydrophobicContact CD1-CD2 3.58Å; I133-L179 HydrophobicContact CD1-CG 3.86Å; I133-L179 HydrophobicContact CG1-CB 4.04Å; I133-L179 HydrophobicContact CG1-CD2 4.02Å; I133-L179 HydrophobicContact CG1-CG 3.92Å; I133-L179 WeakPolarHBondContact CG1-O 3.46Å; I133-L179 PolarHBondContact N-O 3.16Å; I133-R181 HydrophobicContact CD1-CB 4.24Å; I133-R181 HydrophobicContact CG2-CB 4.21Å; I133-L188 HydrophobicContact CD1-CD2 3.97Å |
| 134 | G | 98.1 | Very high | 97.8 | Very high | 8 Ų | 8 | 41 Ų | 41 | 8% | 0.082 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 133.8 | 178.7 | 165.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | F132 L179 | F132-G134 VanDerWaalsContact CZ-CA 3.45Å; G134-L179 WeakPolarHBondContact O-CB 3.19Å; G134-L179 PolarHBondContact O-N 3.21Å |
| 135 | Y | 98.2 | Very high | 97.8 | Very high | 43 Ų | 43 | 44 Ų | 44 | 17% | 0.169 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 135.1 | 180 | -56.6 | -82.4 | 0 | 0 | 0 | 112 | T20 Y114 H115 F132 K171 Q176 G177 Y178 | T20-Y135 WeakPolarHBondContact O-CE2 3.21Å; Y114-Y135 HydrophobicContact CD2-CE1 4.47Å; H115-Y135 PolarHBondContact N-OH 3.47Å; H115-Y135 VanDerWaalsContact O-CE1 3.22Å; H115-Y135 WeakPolarHBondContact O-CE1 3.22Å; H115-Y135 PolarHBondContact O-OH 2.97Å; F132-Y135 HydrophobicContact CE1-CE2 4.36Å; F132-Y135 HydrophobicContact CZ-CD1 4.47Å; F132-Y135 HydrophobicContact CZ-CD2 4.26Å; F132-Y135 HydrophobicContact CZ-CE1 4.25Å; F132-Y135 AromaticContact CZ-CE2 4Å; F132-Y135 HydrophobicContact CZ-CE2 4Å; F132-Y135 HydrophobicContact CZ-CG 4.49Å; Y135-K171 WeakPolarHBondContact O-CD 3.4Å; Y135-K171 VanDerWaalsContact O-CE 3.23Å; Y135-K171 WeakPolarHBondContact O-CE 3.43Å; Y135-K171 PolarHBondContact O-NZ 2.79Å; Y135-Q176 HydrophobicContact CD1-CG 4.16Å; Y135-G177 WeakPolarHBondContact CA-O 3.43Å; Y135-Y178 AromaticContact CD1-CD1 3.78Å; Y135-Y178 HydrophobicContact CD1-CD1 3.78Å; Y135-Y178 AromaticContact CD1-CE1 3.8Å; Y135-Y178 HydrophobicContact CD1-CE1 3.8Å; Y135-Y178 AromaticContact CE1-CD1 3.73Å; Y135-Y178 HydrophobicContact CE1-CD1 3.73Å; Y135-Y178 AromaticContact CE1-CE1 3.6Å; Y135-Y178 HydrophobicContact CE1-CE1 3.6Å |
| 136 | V | 98.2 | Very high | 97.7 | Very high | 12 Ų | 12 | 47.6 Ų | 47.6 | 7% | 0.073 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 148.4 | -176.4 | -66.6 | 0 | 0 | 0 | 0 | 112.9 | D140 I141 Q176 G177 L179 L190 | V136-D140 HydrophobicContact CB-CB 3.93Å; V136-D140 HydrophobicContact CG1-CB 3.91Å; V136-I141 HydrophobicContact CB-CG2 3.95Å; V136-I141 HydrophobicContact CG1-CG2 4.13Å; V136-I141 HydrophobicContact CG2-CG2 3.97Å; V136-Q176 PolarHBondContact O-NE2 3.42Å; V136-Q176 VanDerWaalsContact O-NE2 3.11Å; V136-G177 PolarHBondContact N-O 3.21Å; V136-G177 WeakPolarHBondContact O-CA 3.31Å; V136-G177 PolarHBondContact O-N 2.81Å; V136-G177 VanDerWaalsContact O-N 3.08Å; V136-L179 HydrophobicContact CG1-CB 3.81Å; V136-L179 HydrophobicContact CG1-CD2 4.01Å; V136-L179 HydrophobicContact CG1-CG 4.46Å; V136-L179 HydrophobicContact CG2-CB 3.94Å; V136-L190 HydrophobicContact CG2-CD1 3.95Å |
| 137 | G | 98.1 | Very high | 97.8 | Very high | 4 Ų | 4 | 47.2 Ų | 47.2 | 4% | 0.041 | 25% | 0.25 | C | C | . | . | trans | -110.7 | -179.7 | 161.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | N139 D140 | G137-N139 VanDerWaalsContact C-N 3.25Å; G137-N139 PolarHBondContact O-N 2.75Å; G137-D140 PolarHBondContact N-OD2 2.99Å; G137-D140 WeakPolarHBondContact O-CB 3.37Å; G137-D140 PolarHBondContact O-N 2.92Å | ||
| 138 | W | 98 | Very high | 97.9 | Very high | 62 Ų | 62 | 45 Ų | 45 | 24% | 0.235 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -53.4 | -42.8 | 178.7 | 173.6 | -118.4 | 0 | 0 | 0 | 112.9 | D140 I141 K142 L145 L165 A166 L169 | W138-D140 PolarHBondContact O-N 2.85Å; W138-I141 HydrophobicContact CE3-CG1 4.28Å; W138-I141 PolarHBondContact O-N 2.98Å; W138-I141 VanDerWaalsContact O-N 3.17Å; W138-K142 HydrophobicContact CD2-CB 3.82Å; W138-K142 VanDerWaalsContact CE2-CB 3.43Å; W138-K142 HydrophobicContact CE3-CB 4.21Å; W138-K142 HydrophobicContact CG-CB 4.43Å; W138-K142 HydrophobicContact CH2-CB 3.95Å; W138-K142 HydrophobicContact CZ2-CB 3.51Å; W138-K142 HydrophobicContact CZ3-CB 4.28Å; W138-K142 VanDerWaalsContact O-CB 3.32Å; W138-K142 WeakPolarHBondContact O-CB 3.47Å; W138-K142 PolarHBondContact O-N 3.06Å; W138-L145 HydrophobicContact CH2-CD1 3.91Å; W138-L145 HydrophobicContact CH2-CD2 4.27Å; W138-L145 HydrophobicContact CZ3-CD1 4.41Å; W138-L145 HydrophobicContact CZ3-CD2 3.97Å; W138-L165 HydrophobicContact CE3-CB 3.75Å; W138-L165 HydrophobicContact CZ3-CB 3.88Å; W138-L165 HydrophobicContact CZ3-CD1 4.25Å; W138-A166 HydrophobicContact CD2-CB 3.92Å; W138-A166 HydrophobicContact CG-CB 4.23Å; W138-A166 HydrophobicContact CH2-CB 4.46Å; W138-A166 HydrophobicContact CZ2-CB 3.85Å; W138-L169 HydrophobicContact CB-CB 4.35Å; W138-L169 WeakPolarHBondContact CB-O 3.29Å; W138-L169 PolarHBondContact N-O 3.03Å |
| 139 | N | 97.4 | Very high | 97.9 | Very high | 115 Ų | 115 | 46.3 Ų | 46.3 | 62% | 0.615 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -64.7 | -21.1 | -179 | -75.2 | -46.4 | 0 | 0 | 0 | 114 | G137 K142 | G137-N139 VanDerWaalsContact C-N 3.25Å; G137-N139 PolarHBondContact O-N 2.75Å; N139-K142 PolarHBondContact OD1-NZ 2.83Å |
| 140 | D | 97.8 | Very high | 97.9 | Very high | 77 Ų | 77 | 49.4 Ų | 49.4 | 41% | 0.412 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -83.1 | -21.8 | 178.8 | -57.8 | -59.7 | 0 | 0 | 0 | 112.4 | V136 G137 W138 | V136-D140 HydrophobicContact CB-CB 3.93Å; V136-D140 HydrophobicContact CG1-CB 3.91Å; G137-D140 PolarHBondContact N-OD2 2.99Å; G137-D140 WeakPolarHBondContact O-CB 3.37Å; G137-D140 PolarHBondContact O-N 2.92Å; W138-D140 PolarHBondContact O-N 2.85Å |
| 141 | I | 97.5 | Very high | 97.9 | Very high | 2 Ų | 2 | 50.5 Ų | 50.5 | 1% | 0.01 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -119.6 | -19.7 | -171.6 | 67.3 | 168.9 | 0 | 0 | 0 | 115.2 | V136 W138 D143 R144 F148 L169 L179 L190 | V136-I141 HydrophobicContact CB-CG2 3.95Å; V136-I141 HydrophobicContact CG1-CG2 4.13Å; V136-I141 HydrophobicContact CG2-CG2 3.97Å; W138-I141 HydrophobicContact CE3-CG1 4.28Å; W138-I141 PolarHBondContact O-N 2.98Å; W138-I141 VanDerWaalsContact O-N 3.17Å; I141-D143 PolarHBondContact O-N 2.62Å; I141-R144 PolarHBondContact O-N 2.83Å; I141-F148 HydrophobicContact CB-CE2 4.34Å; I141-F148 HydrophobicContact CB-CZ 4.22Å; I141-F148 HydrophobicContact CD1-CZ 4.33Å; I141-F148 HydrophobicContact CG2-CZ 4.25Å; I141-L169 HydrophobicContact CD1-CD2 3.58Å; I141-L169 HydrophobicContact CG1-CD2 4.27Å; I141-L179 HydrophobicContact CG2-CD1 4.33Å; I141-L190 HydrophobicContact CD1-CD2 4.12Å |
| 142 | K | 97.4 | Very high | 97.8 | Very high | 75 Ų | 75 | 55.5 Ų | 55.5 | 33% | 0.326 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -26.7 | -171.4 | 66.6 | -176.8 | 179.5 | -170.6 | 0 | 115.5 | W138 N139 R144 L145 | W138-K142 HydrophobicContact CD2-CB 3.82Å; W138-K142 VanDerWaalsContact CE2-CB 3.43Å; W138-K142 HydrophobicContact CE3-CB 4.21Å; W138-K142 HydrophobicContact CG-CB 4.43Å; W138-K142 HydrophobicContact CH2-CB 3.95Å; W138-K142 HydrophobicContact CZ2-CB 3.51Å; W138-K142 HydrophobicContact CZ3-CB 4.28Å; W138-K142 VanDerWaalsContact O-CB 3.32Å; W138-K142 WeakPolarHBondContact O-CB 3.47Å; W138-K142 PolarHBondContact O-N 3.06Å; N139-K142 PolarHBondContact OD1-NZ 2.83Å; K142-R144 VanDerWaalsContact C-N 3.35Å; K142-L145 WeakPolarHBondContact O-CG 3.4Å |
| 143 | D | 97.3 | Very high | 97.7 | Very high | 133 Ų | 133 | 59.7 Ų | 59.7 | 71% | 0.711 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.8 | 7.9 | -178 | -59.6 | -48 | 0 | 0 | 0 | 112.5 | I141 | I141-D143 PolarHBondContact O-N 2.62Š|
| 144 | R | 96.3 | Very high | 97.7 | Very high | 76 Ų | 76 | 57.3 Ų | 57.3 | 29% | 0.287 | 29% | 0.289 | S | S | . | . | trans | -136.3 | 21 | -172.3 | -57.9 | 175.1 | 63.8 | -172.1 | 2.6 | 112.9 | I141 K142 D146 E147 F148 | I141-R144 PolarHBondContact O-N 2.83Å; K142-R144 VanDerWaalsContact C-N 3.35Å; R144-D146 PolarHBondContact O-N 2.96Å; R144-E147 HydrophobicContact CB-CG 4.31Å; R144-E147 WeakPolarHBondContact CG-OE1 3.1Å; R144-E147 IonicContact CZ-OE1 3.57Å; R144-E147 IonicContact CZ-OE2 3.4Å; R144-E147 VanDerWaalsContact NE-CD 3.34Å; R144-E147 IonicContact NE-OE1 2.79Å; R144-E147 PolarHBondContact NE-OE1 2.84Å; R144-E147 IonicContact NE-OE2 3.62Å; R144-E147 PolarHBondContact NE-OE2 2.89Å; R144-E147 IonicContact NH2-OE1 2.76Å; R144-E147 IonicContact NH2-OE2 3.16Å; R144-E147 PolarHBondContact NH2-OE2 2.68Å; R144-E147 VanDerWaalsContact O-CB 3.32Å; R144-E147 WeakPolarHBondContact O-CB 2.97Å; R144-E147 PolarHBondContact O-N 3Å; R144-F148 WeakPolarHBondContact O-CD2 3.12Å | ||
| 145 | L | 97.1 | Very high | 97.7 | Very high | 68 Ų | 68 | 56.9 Ų | 56.9 | 36% | 0.356 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | -62.5 | -28.1 | -172.9 | -56.6 | 178.6 | 0 | 0 | 0 | 112.7 | W138 K142 E147 F148 L151 | W138-L145 HydrophobicContact CH2-CD1 3.91Å; W138-L145 HydrophobicContact CH2-CD2 4.27Å; W138-L145 HydrophobicContact CZ3-CD1 4.41Å; W138-L145 HydrophobicContact CZ3-CD2 3.97Å; K142-L145 WeakPolarHBondContact O-CG 3.4Å; L145-E147 VanDerWaalsContact C-N 3.28Å; L145-E147 PolarHBondContact O-N 3.01Å; L145-F148 PolarHBondContact O-N 2.73Å; L145-L151 HydrophobicContact CB-CD2 4.46Å; L145-L151 HydrophobicContact CD2-CD2 3.68Å |
| 146 | D | 97.3 | Very high | 97.7 | Very high | 127 Ų | 127 | 60.5 Ų | 60.5 | 68% | 0.679 | 30% | 0.303 | S | S | * | . | G | 310 helix | trans | -74.9 | -13.7 | 175.5 | 64.4 | -45.2 | 0 | 0 | 0 | 113.7 | R144 F148 K187 | R144-D146 PolarHBondContact O-N 2.96Å; D146-F148 VanDerWaalsContact C-N 3.29Å; D146-K187 PolarHBondContact O-NZ 3.34Å |
| 147 | E | 98.3 | Very high | 97.6 | Very high | 66 Ų | 66 | 63.8 Ų | 63.8 | 31% | 0.308 | 32% | 0.32 | S | S | . | . | G | 310 helix | trans | -78.6 | -10.9 | 173.1 | -65.2 | -175.7 | -135.8 | 0 | 0 | 113.1 | R144 L145 K187 L188 | R144-E147 HydrophobicContact CB-CG 4.31Å; R144-E147 WeakPolarHBondContact CG-OE1 3.1Å; R144-E147 IonicContact CZ-OE1 3.57Å; R144-E147 IonicContact CZ-OE2 3.4Å; R144-E147 VanDerWaalsContact NE-CD 3.34Å; R144-E147 IonicContact NE-OE1 2.79Å; R144-E147 PolarHBondContact NE-OE1 2.84Å; R144-E147 IonicContact NE-OE2 3.62Å; R144-E147 PolarHBondContact NE-OE2 2.89Å; R144-E147 IonicContact NH2-OE1 2.76Å; R144-E147 IonicContact NH2-OE2 3.16Å; R144-E147 PolarHBondContact NH2-OE2 2.68Å; R144-E147 VanDerWaalsContact O-CB 3.32Å; R144-E147 WeakPolarHBondContact O-CB 2.97Å; R144-E147 PolarHBondContact O-N 3Å; L145-E147 VanDerWaalsContact C-N 3.28Å; L145-E147 PolarHBondContact O-N 3.01Å; E147-K187 CarbonylContact O-C 3.51Å; E147-K187 WeakPolarHBondContact O-CA 3.14Å; E147-K187 WeakPolarHBondContact O-CD 3.39Å; E147-L188 HydrophobicContact CB-CD1 3.84Å; E147-L188 HydrophobicContact CB-CG 4.13Å; E147-L188 PolarHBondContact O-N 3.12Å |
| 148 | F | 98.6 | Very high | 97.4 | Very high | 9 Ų | 9 | 64.5 Ų | 64.5 | 4% | 0.039 | 32% | 0.322 | C | S | . | . | B | Isolated β-bridge | trans | -76.1 | 150.4 | 178.1 | -71.7 | -96.2 | 0 | 0 | 0 | 111.7 | I141 R144 L145 D146 L151 L179 K187 L188 L190 | I141-F148 HydrophobicContact CB-CE2 4.34Å; I141-F148 HydrophobicContact CB-CZ 4.22Å; I141-F148 HydrophobicContact CD1-CZ 4.33Å; I141-F148 HydrophobicContact CG2-CZ 4.25Å; R144-F148 WeakPolarHBondContact O-CD2 3.12Å; L145-F148 PolarHBondContact O-N 2.73Å; D146-F148 VanDerWaalsContact C-N 3.29Å; F148-L151 HydrophobicContact CB-CB 3.85Å; F148-L151 HydrophobicContact CD1-CB 4.43Å; F148-L151 HydrophobicContact CD1-CD1 3.86Å; F148-L151 HydrophobicContact CD2-CD2 4.4Å; F148-L151 HydrophobicContact CE1-CD1 4.04Å; F148-L151 HydrophobicContact CG-CB 4.06Å; F148-L151 HydrophobicContact CG-CD1 4.13Å; F148-L151 HydrophobicContact CG-CG 4.48Å; F148-L151 HydrophobicContact CZ-CD1 4.42Å; F148-L179 HydrophobicContact CE1-CD1 3.67Å; F148-L179 HydrophobicContact CZ-CD1 3.63Å; F148-K187 PolarHBondContact O-NZ 2.81Å; F148-L188 CarbonylContact C-O 3.42Å; F148-L188 VanDerWaalsContact CA-O 3.31Å; F148-L188 WeakPolarHBondContact CA-O 3.48Å; F148-L188 HydrophobicContact CD1-CB 3.6Å; F148-L188 HydrophobicContact CD2-CB 4.19Å; F148-L188 HydrophobicContact CD2-CD1 4.34Å; F148-L188 HydrophobicContact CE1-CB 3.63Å; F148-L188 HydrophobicContact CE2-CB 4.25Å; F148-L188 HydrophobicContact CE2-CD1 3.91Å; F148-L188 HydrophobicContact CG-CB 3.89Å; F148-L188 HydrophobicContact CZ-CB 3.99Å; F148-L188 HydrophobicContact CZ-CD1 4.01Å; F148-L190 HydrophobicContact CD1-CB 4.4Å; F148-L190 HydrophobicContact CE1-CB 3.82Å |
| 149 | A | 98.3 | Very high | 97.3 | Very high | 38 Ų | 38 | 64.7 Ų | 64.7 | 31% | 0.314 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -72.2 | -53.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | H125 K187 L188 | H125-A149 WeakPolarHBondContact NE2-CB 3.47Å; A149-K187 HydrophobicContact CB-CB 3.95Å; A149-K187 HydrophobicContact CB-CG 4.48Å; A149-L188 PolarHBondContact N-O 2.83Å |
| 150 | N | 97.6 | Very high | 97.2 | Very high | 67 Ų | 67 | 60.4 Ų | 60.4 | 36% | 0.358 | 32% | 0.32 | S | S | . | . | trans | -153.1 | 82.5 | 174.6 | -168.1 | -6.1 | 0 | 0 | 0 | 110.9 | E152 E153 D154 | N150-E152 VanDerWaalsContact C-N 3.25Å; N150-E152 PolarHBondContact O-N 3.42Å; N150-E153 HydrophobicContact CB-CB 4.13Å; N150-E153 VanDerWaalsContact CG-CB 3.44Å; N150-E153 VanDerWaalsContact ND2-CB 3.29Å; N150-E153 WeakPolarHBondContact ND2-CB 3.48Å; N150-E153 PolarHBondContact ND2-OE2 3.04Å; N150-E153 PolarHBondContact O-N 3.38Å; N150-E153 PolarHBondContact OD1-N 3.29Å; N150-D154 WeakPolarHBondContact O-CB 3.42Å; N150-D154 VanDerWaalsContact O-CG 3.27Å; N150-D154 PolarHBondContact O-N 3.04Å | ||
| 151 | L | 97.8 | Very high | 97.1 | Very high | 22 Ų | 22 | 64.2 Ų | 64.2 | 12% | 0.115 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -65.1 | -28.6 | -176.5 | -177 | 61.2 | 0 | 0 | 0 | 113.2 | L145 F148 C155 L165 L190 | L145-L151 HydrophobicContact CB-CD2 4.46Å; L145-L151 HydrophobicContact CD2-CD2 3.68Å; F148-L151 HydrophobicContact CB-CB 3.85Å; F148-L151 HydrophobicContact CD1-CB 4.43Å; F148-L151 HydrophobicContact CD1-CD1 3.86Å; F148-L151 HydrophobicContact CD2-CD2 4.4Å; F148-L151 HydrophobicContact CE1-CD1 4.04Å; F148-L151 HydrophobicContact CG-CB 4.06Å; F148-L151 HydrophobicContact CG-CD1 4.13Å; F148-L151 HydrophobicContact CG-CG 4.48Å; F148-L151 HydrophobicContact CZ-CD1 4.42Å; L151-C155 WeakPolarHBondContact O-CB 3.33Å; L151-C155 PolarHBondContact O-N 2.83Å; L151-C155 VanDerWaalsContact O-N 3.08Å; L151-C155 PolarHBondContact O-SG 2.59Å; L151-L165 HydrophobicContact CD1-CD1 4.16Å; L151-L165 HydrophobicContact CD2-CD1 4.06Å; L151-L165 HydrophobicContact CG-CD1 4.27Å; L151-L190 HydrophobicContact CD1-CB 4.06Å; L151-L190 HydrophobicContact CD1-CD2 3.79Å |
| 152 | E | 97.6 | Very high | 97 | Very high | 109 Ų | 109 | 67.2 Ų | 67.2 | 51% | 0.509 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -67.2 | -51.7 | 179.3 | -174.4 | 167.3 | -160.7 | 0 | 0 | 110.9 | N150 D154 C155 E156 | N150-E152 VanDerWaalsContact C-N 3.25Å; N150-E152 PolarHBondContact O-N 3.42Å; E152-D154 PolarHBondContact O-N 2.84Å; E152-C155 WeakPolarHBondContact O-CB 3.27Å; E152-C155 PolarHBondContact O-N 2.92Å; E152-E156 WeakPolarHBondContact O-CG 3.47Å; E152-E156 PolarHBondContact O-N 3.47Å |
| 153 | E | 97.7 | Very high | 96.9 | Very high | 89 Ų | 89 | 67 Ų | 67 | 42% | 0.416 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -59.8 | -44 | 174.4 | 178.7 | 175.9 | -155.7 | 0 | 0 | 112 | N150 C155 E156 N157 | N150-E153 HydrophobicContact CB-CB 4.13Å; N150-E153 VanDerWaalsContact CG-CB 3.44Å; N150-E153 VanDerWaalsContact ND2-CB 3.29Å; N150-E153 WeakPolarHBondContact ND2-CB 3.48Å; N150-E153 PolarHBondContact ND2-OE2 3.04Å; N150-E153 PolarHBondContact O-N 3.38Å; N150-E153 PolarHBondContact OD1-N 3.29Å; E153-C155 VanDerWaalsContact C-N 3.28Å; E153-C155 PolarHBondContact O-N 3.13Å; E153-E156 PolarHBondContact O-N 3.27Å; E153-E156 VanDerWaalsContact O-N 3.16Å; E153-N157 VanDerWaalsContact O-CG 3.25Å; E153-N157 PolarHBondContact O-N 3.06Å; E153-N157 PolarHBondContact O-ND2 2.93Å |
| 154 | D | 98 | Very high | 96.9 | Very high | 1 Ų | 1 | 62.2 Ų | 62.2 | 1% | 0.005 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -53.9 | -46.4 | 175.3 | -78.6 | -9.1 | 0 | 0 | 0 | 111.4 | N150 E152 N157 F158 R189 L190 | N150-D154 WeakPolarHBondContact O-CB 3.42Å; N150-D154 VanDerWaalsContact O-CG 3.27Å; N150-D154 PolarHBondContact O-N 3.04Å; E152-D154 PolarHBondContact O-N 2.84Å; D154-N157 PolarHBondContact O-N 3.15Å; D154-F158 WeakPolarHBondContact O-CD1 3.46Å; D154-F158 WeakPolarHBondContact O-CE1 3.39Å; D154-R189 IonicContact OD1-CZ 3.82Å; D154-R189 IonicContact OD1-NE 2.66Å; D154-R189 PolarHBondContact OD1-NE 2.84Å; D154-R189 IonicContact OD1-NH2 3.31Å; D154-R189 PolarHBondContact OD1-NH2 3.16Å; D154-R189 VanDerWaalsContact OD2-CA 3.29Å; D154-R189 WeakPolarHBondContact OD2-CA 3.43Å; D154-R189 IonicContact OD2-NE 2.85Å; D154-R189 PolarHBondContact OD2-NE 3.23Å; D154-L190 HydrophobicContact CB-CB 4.21Å; D154-L190 WeakPolarHBondContact CB-O 2.96Å; D154-L190 PolarHBondContact OD2-N 2.9Å |
| 155 | C | 97.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -65.4 | -41.9 | 178.1 | -68.5 | 0 | 0 | 0 | 0 | 113 | L151 E152 E153 N157 F158 G159 I160 N162 | L151-C155 WeakPolarHBondContact O-CB 3.33Å; L151-C155 PolarHBondContact O-N 2.83Å; L151-C155 VanDerWaalsContact O-N 3.08Å; L151-C155 PolarHBondContact O-SG 2.59Å; E152-C155 WeakPolarHBondContact O-CB 3.27Å; E152-C155 PolarHBondContact O-N 2.92Å; E153-C155 VanDerWaalsContact C-N 3.28Å; E153-C155 PolarHBondContact O-N 3.13Å; C155-N157 VanDerWaalsContact C-N 3.27Å; C155-N157 PolarHBondContact O-N 2.82Å; C155-F158 VanDerWaalsContact CA-CE1 3.47Å; C155-F158 HydrophobicContact CB-CE1 4.46Å; C155-F158 HydrophobicContact CB-CZ 4.43Å; C155-F158 PolarHBondContact O-N 2.94Å; C155-G159 PolarHBondContact O-N 2.96Å; C155-I160 CarbonylContact C-O 3.44Å; C155-I160 HydrophobicContact CB-CG1 4.11Å; C155-I160 WeakPolarHBondContact CB-O 3.38Å; C155-I160 PolarHBondContact O-N 3.48Å; C155-N162 HydrophobicContact CB-CB 4.37Å |
| 156 | E | 97.3 | Very high | 96.9 | Very high | 119 Ų | 119 | 58 Ų | 58 | 56% | 0.556 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -61.8 | -37.8 | 179.1 | -73 | 180 | 167.5 | 0 | 0 | 111.4 | E152 E153 F158 G159 I160 | E152-E156 WeakPolarHBondContact O-CG 3.47Å; E152-E156 PolarHBondContact O-N 3.47Å; E153-E156 PolarHBondContact O-N 3.27Å; E153-E156 VanDerWaalsContact O-N 3.16Å; E156-F158 VanDerWaalsContact C-N 3.26Å; E156-F158 PolarHBondContact O-N 3.08Å; E156-G159 PolarHBondContact O-N 3.37Å; E156-I160 PolarHBondContact N-O 3.31Å |
| 157 | N | 95.8 | Very high | 96.8 | Very high | 80 Ų | 80 | 59.8 Ų | 59.8 | 43% | 0.428 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64.8 | -26.5 | -178.5 | -69.2 | -24.5 | 0 | 0 | 0 | 113.7 | E153 D154 C155 W191 | E153-N157 VanDerWaalsContact O-CG 3.25Å; E153-N157 PolarHBondContact O-N 3.06Å; E153-N157 PolarHBondContact O-ND2 2.93Å; D154-N157 PolarHBondContact O-N 3.15Å; C155-N157 VanDerWaalsContact C-N 3.27Å; C155-N157 PolarHBondContact O-N 2.82Å; N157-W191 HydrophobicContact CB-CZ3 3.74Å; N157-W191 WeakPolarHBondContact O-CH2 3.47Å |
| 158 | F | 94.7 | Very high | 96.7 | Very high | 19 Ų | 19 | 58.6 Ų | 58.6 | 8% | 0.083 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106 | 18.8 | 170 | 66.3 | -92.6 | 0 | 0 | 0 | 113.7 | D154 C155 E156 I160 L165 L190 W191 G192 F194 | D154-F158 WeakPolarHBondContact O-CD1 3.46Å; D154-F158 WeakPolarHBondContact O-CE1 3.39Å; C155-F158 VanDerWaalsContact CA-CE1 3.47Å; C155-F158 HydrophobicContact CB-CE1 4.46Å; C155-F158 HydrophobicContact CB-CZ 4.43Å; C155-F158 PolarHBondContact O-N 2.94Å; E156-F158 VanDerWaalsContact C-N 3.26Å; E156-F158 PolarHBondContact O-N 3.08Å; F158-I160 HydrophobicContact CD2-CD1 4.27Å; F158-I160 HydrophobicContact CD2-CG1 3.95Å; F158-I160 HydrophobicContact CE2-CD1 3.33Å; F158-I160 HydrophobicContact CE2-CG1 3.4Å; F158-I160 HydrophobicContact CZ-CD1 3.82Å; F158-I160 HydrophobicContact CZ-CG1 3.91Å; F158-L165 HydrophobicContact CZ-CD2 4.24Å; F158-L190 HydrophobicContact CE1-CD2 4.35Å; F158-L190 HydrophobicContact CE1-CG 4.31Å; F158-L190 HydrophobicContact CZ-CD2 4.2Å; F158-W191 HydrophobicContact CB-CE3 4.35Å; F158-W191 HydrophobicContact CB-CH2 4.07Å; F158-W191 HydrophobicContact CB-CZ2 4.28Å; F158-W191 HydrophobicContact CB-CZ3 4.11Å; F158-W191 HydrophobicContact CD1-CE3 4.32Å; F158-G192 WeakPolarHBondContact CB-O 3.12Å; F158-G192 WeakPolarHBondContact CG-O 3.16Å; F158-F194 HydrophobicContact CD2-CE2 4.25Å |
| 159 | G | 95.8 | Very high | 96.7 | Very high | 66 Ų | 66 | 58.5 Ų | 58.5 | 68% | 0.68 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.3 | 19.1 | 163.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | C155 E156 | C155-G159 PolarHBondContact O-N 2.96Å; E156-G159 PolarHBondContact O-N 3.37Å |
| 160 | I | 95.4 | Very high | 96.6 | Very high | 26 Ų | 26 | 62.8 Ų | 62.8 | 13% | 0.133 | 33% | 0.332 | C | S | . | . | trans | -127.2 | 166.1 | 174 | 67.1 | 168.2 | 0 | 0 | 0 | 113 | C155 E156 F158 L165 F194 | C155-I160 CarbonylContact C-O 3.44Å; C155-I160 HydrophobicContact CB-CG1 4.11Å; C155-I160 WeakPolarHBondContact CB-O 3.38Å; C155-I160 PolarHBondContact O-N 3.48Å; E156-I160 PolarHBondContact N-O 3.31Å; F158-I160 HydrophobicContact CD2-CD1 4.27Å; F158-I160 HydrophobicContact CD2-CG1 3.95Å; F158-I160 HydrophobicContact CE2-CD1 3.33Å; F158-I160 HydrophobicContact CE2-CG1 3.4Å; F158-I160 HydrophobicContact CZ-CD1 3.82Å; F158-I160 HydrophobicContact CZ-CG1 3.91Å; I160-L165 HydrophobicContact CD1-CD2 3.7Å; I160-L165 HydrophobicContact CD1-CG 4.36Å; I160-F194 HydrophobicContact CG2-CE2 4.14Å; I160-F194 HydrophobicContact CG2-CZ 3.56Å | ||
| 161 | R | 96.5 | Very high | 96.5 | Very high | 157 Ų | 157 | 65.3 Ų | 65.3 | 59% | 0.592 | 34% | 0.34 | S | S | * | . | trans | -88.1 | 144.2 | 168.2 | -61.4 | 173.8 | -61.2 | -176.8 | 1.7 | 109.7 | S163 D164 | R161-S163 PolarHBondContact O-N 3.47Å; R161-D164 IonicContact CZ-OD2 3.35Å; R161-D164 IonicContact NE-OD2 2.98Å; R161-D164 PolarHBondContact NE-OD2 2.74Å; R161-D164 IonicContact NH2-OD1 3.66Å; R161-D164 IonicContact NH2-OD2 2.84Å; R161-D164 PolarHBondContact NH2-OD2 2.76Å; R161-D164 PolarHBondContact O-N 2.84Å | ||
| 162 | N | 94.8 | Very high | 96.3 | Very high | 64 Ų | 64 | 67 Ų | 67 | 34% | 0.342 | 36% | 0.363 | S | S | . | . | G | 310 helix | trans | -50.7 | -34 | 173.5 | 64.7 | -3.8 | 0 | 0 | 0 | 113.6 | C155 D164 L165 | C155-N162 HydrophobicContact CB-CB 4.37Å; N162-D164 PolarHBondContact O-N 3.04Å; N162-L165 WeakPolarHBondContact O-CB 3.17Å; N162-L165 WeakPolarHBondContact O-CG 3.35Å; N162-L165 PolarHBondContact O-N 3.4Å |
| 163 | S | 95.4 | Very high | 96.2 | Very high | 72 Ų | 72 | 62.2 Ų | 62.2 | 50% | 0.503 | 34% | 0.343 | S | S | . | . | G | 310 helix | trans | -66.4 | -17.9 | 178.1 | 64.8 | 0 | 0 | 0 | 0 | 114.6 | R161 | R161-S163 PolarHBondContact O-N 3.47Š|
| 164 | D | 96.7 | Very high | 96.1 | Very high | 31 Ų | 31 | 64 Ų | 64 | 17% | 0.166 | 36% | 0.355 | C | S | . | . | G | 310 helix | trans | -92.4 | -11.9 | -179.5 | -68.2 | -47.1 | 0 | 0 | 0 | 112.5 | R161 N162 A166 K167 C168 | R161-D164 IonicContact CZ-OD2 3.35Å; R161-D164 IonicContact NE-OD2 2.98Å; R161-D164 PolarHBondContact NE-OD2 2.74Å; R161-D164 IonicContact NH2-OD1 3.66Å; R161-D164 IonicContact NH2-OD2 2.84Å; R161-D164 PolarHBondContact NH2-OD2 2.76Å; R161-D164 PolarHBondContact O-N 2.84Å; N162-D164 PolarHBondContact O-N 3.04Å; D164-A166 VanDerWaalsContact C-N 3.26Å; D164-A166 PolarHBondContact O-N 3.48Å; D164-K167 WeakPolarHBondContact O-CB 3.47Å; D164-K167 PolarHBondContact O-N 3.21Å; D164-K167 IonicContact OD1-NZ 2.83Å; D164-K167 PolarHBondContact OD1-NZ 3.45Å; D164-C168 PolarHBondContact O-N 2.81Å; D164-C168 PolarHBondContact O-SG 3.26Å |
| 165 | L | 97.1 | Very high | 96 | Very high | 1 Ų | 1 | 64 Ų | 64 | 1% | 0.005 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -51.6 | -42.8 | 177.9 | -71.8 | 174.2 | 0 | 0 | 0 | 113 | W138 L151 F158 I160 N162 K167 C168 L169 L190 | W138-L165 HydrophobicContact CE3-CB 3.75Å; W138-L165 HydrophobicContact CZ3-CB 3.88Å; W138-L165 HydrophobicContact CZ3-CD1 4.25Å; L151-L165 HydrophobicContact CD1-CD1 4.16Å; L151-L165 HydrophobicContact CD2-CD1 4.06Å; L151-L165 HydrophobicContact CG-CD1 4.27Å; F158-L165 HydrophobicContact CZ-CD2 4.24Å; I160-L165 HydrophobicContact CD1-CD2 3.7Å; I160-L165 HydrophobicContact CD1-CG 4.36Å; N162-L165 WeakPolarHBondContact O-CB 3.17Å; N162-L165 WeakPolarHBondContact O-CG 3.35Å; N162-L165 PolarHBondContact O-N 3.4Å; L165-K167 PolarHBondContact O-N 3.07Å; L165-K167 VanDerWaalsContact O-N 3.1Å; L165-C168 PolarHBondContact O-N 3.07Å; L165-L169 HydrophobicContact CD2-CB 4.17Å; L165-L169 HydrophobicContact CD2-CD1 4.29Å; L165-L169 HydrophobicContact CD2-CD2 4.16Å; L165-L169 HydrophobicContact CD2-CG 4.44Å; L165-L169 VanDerWaalsContact O-CB 3.27Å; L165-L169 WeakPolarHBondContact O-CB 3.23Å; L165-L169 PolarHBondContact O-N 2.79Å; L165-L190 HydrophobicContact CD1-CD2 4.46Å; L165-L190 HydrophobicContact CD2-CD2 4.02Å |
| 166 | A | 96.6 | Very high | 96 | Very high | 56 Ų | 56 | 64.6 Ų | 64.6 | 46% | 0.463 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.5 | -19.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | W138 D164 | W138-A166 HydrophobicContact CD2-CB 3.92Å; W138-A166 HydrophobicContact CG-CB 4.23Å; W138-A166 HydrophobicContact CH2-CB 4.46Å; W138-A166 HydrophobicContact CZ2-CB 3.85Å; D164-A166 VanDerWaalsContact C-N 3.26Å; D164-A166 PolarHBondContact O-N 3.48Å |
| 167 | K | 96.3 | Very high | 96.1 | Very high | 164 Ų | 164 | 58.9 Ų | 58.9 | 71% | 0.713 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -98.4 | -34.7 | -177.5 | -56.5 | 175.2 | -164.6 | 151.6 | 0 | 112.4 | D164 L165 | D164-K167 WeakPolarHBondContact O-CB 3.47Å; D164-K167 PolarHBondContact O-N 3.21Å; D164-K167 IonicContact OD1-NZ 2.83Å; D164-K167 PolarHBondContact OD1-NZ 3.45Å; L165-K167 PolarHBondContact O-N 3.07Å; L165-K167 VanDerWaalsContact O-N 3.1Å |
| 168 | C | 95.6 | Very high | 96.2 | Very high | 40 Ų | 40 | 55.2 Ų | 55.2 | 27% | 0.27 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -110.1 | -38 | -172.6 | 61.3 | 0 | 0 | 0 | 0 | 114 | D164 L165 Q170 C175 | D164-C168 PolarHBondContact O-N 2.81Å; D164-C168 PolarHBondContact O-SG 3.26Å; L165-C168 PolarHBondContact O-N 3.07Å; C168-Q170 PolarHBondContact O-N 3Å; C168-C175 HydrophobicContact CB-CB 3.99Å; C168-C175 WeakPolarHBondContact O-CB 3.46Å |
| 169 | L | 97.7 | Very high | 96.4 | Very high | 8 Ų | 8 | 54.7 Ų | 54.7 | 4% | 0.042 | 31% | 0.31 | C | S | . | . | B | Isolated β-bridge | trans | -68.8 | 109.3 | -168.8 | -164.5 | 78.5 | 0 | 0 | 0 | 111 | W138 I141 L165 L190 | W138-L169 HydrophobicContact CB-CB 4.35Å; W138-L169 WeakPolarHBondContact CB-O 3.29Å; W138-L169 PolarHBondContact N-O 3.03Å; I141-L169 HydrophobicContact CD1-CD2 3.58Å; I141-L169 HydrophobicContact CG1-CD2 4.27Å; L165-L169 HydrophobicContact CD2-CB 4.17Å; L165-L169 HydrophobicContact CD2-CD1 4.29Å; L165-L169 HydrophobicContact CD2-CD2 4.16Å; L165-L169 HydrophobicContact CD2-CG 4.44Å; L165-L169 VanDerWaalsContact O-CB 3.27Å; L165-L169 WeakPolarHBondContact O-CB 3.23Å; L165-L169 PolarHBondContact O-N 2.79Å; L169-L190 HydrophobicContact CD2-CD2 4.43Å |
| 170 | Q | 96.8 | Very high | 96.5 | Very high | 127 Ų | 127 | 51.5 Ų | 51.5 | 59% | 0.593 | 28% | 0.277 | S | S | * | . | trans | -137.5 | 125.7 | -176.6 | -178.2 | 174.3 | -8 | 0 | 0 | 110.4 | C168 G172 G173 C175 | C168-Q170 PolarHBondContact O-N 3Å; Q170-G172 PolarHBondContact O-N 2.9Å; Q170-G173 PolarHBondContact O-N 3.1Å; Q170-C175 PolarHBondContact N-O 3.33Å; Q170-C175 VanDerWaalsContact O-O 3.08Å | ||
| 171 | K | 95.5 | Very high | 96.7 | Very high | 120 Ų | 120 | 54 Ų | 54 | 52% | 0.522 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | 120.6 | 174.1 | -172 | 169.3 | 179.4 | 155.2 | 0 | 110.1 | Y135 G173 | Y135-K171 WeakPolarHBondContact O-CD 3.4Å; Y135-K171 VanDerWaalsContact O-CE 3.23Å; Y135-K171 WeakPolarHBondContact O-CE 3.43Å; Y135-K171 PolarHBondContact O-NZ 2.79Å; K171-G173 PolarHBondContact O-N 2.84Å |
| 172 | G | 94.2 | Very high | 96.8 | Very high | 58 Ų | 58 | 46.6 Ų | 46.6 | 60% | 0.598 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.1 | 14.3 | -174 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q170 | Q170-G172 PolarHBondContact O-N 2.9Š|
| 173 | G | 95 | Very high | 97 | Very high | 9 Ų | 9 | 47 Ų | 47 | 9% | 0.093 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -103.2 | -174.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | W117 Q170 K171 C175 | W117-G173 PolarHBondContact NE1-O 3.22Å; Q170-G173 PolarHBondContact O-N 3.1Å; K171-G173 PolarHBondContact O-N 2.84Å; G173-C175 PolarHBondContact O-N 3.4Å; G173-C175 VanDerWaalsContact O-N 3.13Å |
| 174 | D | 94.9 | Very high | 97.1 | Very high | 125 Ų | 125 | 49.1 Ų | 49.1 | 67% | 0.668 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -60.6 | -22.4 | -177.1 | -57.3 | -10 | 0 | 0 | 0 | 113.7 | F194 S195 | D174-F194 WeakPolarHBondContact O-CA 3.33Å; D174-S195 PolarHBondContact O-N 3.05Å; D174-S195 VanDerWaalsContact O-N 3.16Å |
| 175 | C | 96.9 | Very high | 97.2 | Very high | 3 Ų | 3 | 50.8 Ų | 50.8 | 2% | 0.02 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 100.9 | 171.9 | 178.5 | 0 | 0 | 0 | 0 | 108.8 | C168 Q170 G173 D193 F194 | C168-C175 HydrophobicContact CB-CB 3.99Å; C168-C175 WeakPolarHBondContact O-CB 3.46Å; Q170-C175 PolarHBondContact N-O 3.33Å; Q170-C175 VanDerWaalsContact O-O 3.08Å; G173-C175 PolarHBondContact O-N 3.4Å; G173-C175 VanDerWaalsContact O-N 3.13Å; C175-D193 WeakPolarHBondContact CA-O 3.18Å; C175-F194 HydrophobicContact CB-CD1 3.71Å; C175-F194 HydrophobicContact CB-CE1 3.46Å; C175-F194 VanDerWaalsContact CB-CE1 3.46Å; C175-F194 HydrophobicContact CB-CZ 4.24Å; C175-F194 WeakPolarHBondContact SG-CE1 3.39Å |
| 176 | Q | 97.6 | Very high | 97.3 | Very high | 11 Ų | 11 | 52.1 Ų | 52.1 | 5% | 0.051 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 135.7 | -177.6 | 175.1 | 61 | 75.4 | 0 | 0 | 109.8 | Y135 V136 Y178 G192 D193 | Y135-Q176 HydrophobicContact CD1-CG 4.16Å; V136-Q176 PolarHBondContact O-NE2 3.42Å; V136-Q176 VanDerWaalsContact O-NE2 3.11Å; Q176-Y178 HydrophobicContact CB-CE2 4.46Å; Q176-Y178 HydrophobicContact CG-CD1 4.34Å; Q176-Y178 HydrophobicContact CG-CE1 3.62Å; Q176-Y178 HydrophobicContact CG-CE2 4.21Å; Q176-Y178 WeakPolarHBondContact CG-OH 3.03Å; Q176-G192 WeakPolarHBondContact O-CA 3.41Å; Q176-D193 PolarHBondContact N-O 3.27Å; Q176-D193 PolarHBondContact O-N 3.14Å |
| 177 | G | 98.2 | Very high | 97.4 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 139.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y135 V136 W191 | Y135-G177 WeakPolarHBondContact CA-O 3.43Å; V136-G177 PolarHBondContact N-O 3.21Å; V136-G177 WeakPolarHBondContact O-CA 3.31Å; V136-G177 PolarHBondContact O-N 2.81Å; V136-G177 VanDerWaalsContact O-N 3.08Å; G177-W191 CarbonylContact C-O 3.57Å; G177-W191 WeakPolarHBondContact CA-O 3.29Å |
| 178 | Y | 98.5 | Very high | 97.5 | Very high | 2 Ų | 2 | 45.5 Ų | 45.5 | 1% | 0.008 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 113.1 | 174.9 | -48.1 | -82.7 | 0 | 0 | 0 | 107.9 | Y114 H115 G116 W117 F132 Y135 Q176 F180 W191 D193 | Y114-Y178 AromaticContact CD2-CD1 3.43Å; Y114-Y178 HydrophobicContact CD2-CD1 3.43Å; Y114-Y178 VanDerWaalsContact CD2-CD1 3.43Å; Y114-Y178 AromaticContact CD2-CE1 3.8Å; Y114-Y178 HydrophobicContact CD2-CE1 3.8Å; Y114-Y178 HydrophobicContact CD2-CG 4.14Å; Y114-Y178 AromaticContact CE2-CD1 3.24Å; Y114-Y178 HydrophobicContact CE2-CD1 3.24Å; Y114-Y178 HydrophobicContact CE2-CD2 4.15Å; Y114-Y178 AromaticContact CE2-CE1 3.63Å; Y114-Y178 HydrophobicContact CE2-CE1 3.63Å; Y114-Y178 HydrophobicContact CE2-CE2 4.47Å; Y114-Y178 AromaticContact CE2-CG 3.54Å; Y114-Y178 HydrophobicContact CE2-CG 3.54Å; H115-Y178 WeakPolarHBondContact O-CE1 3.32Å; G116-Y178 WeakPolarHBondContact CA-OH 3.09Å; W117-Y178 PolarHBondContact N-OH 3.31Å; W117-Y178 VanDerWaalsContact N-OH 3.15Å; F132-Y178 HydrophobicContact CE2-CD1 4.32Å; Y135-Y178 AromaticContact CD1-CD1 3.78Å; Y135-Y178 HydrophobicContact CD1-CD1 3.78Å; Y135-Y178 AromaticContact CD1-CE1 3.8Å; Y135-Y178 HydrophobicContact CD1-CE1 3.8Å; Y135-Y178 AromaticContact CE1-CD1 3.73Å; Y135-Y178 HydrophobicContact CE1-CD1 3.73Å; Y135-Y178 AromaticContact CE1-CE1 3.6Å; Y135-Y178 HydrophobicContact CE1-CE1 3.6Å; Q176-Y178 HydrophobicContact CB-CE2 4.46Å; Q176-Y178 HydrophobicContact CG-CD1 4.34Å; Q176-Y178 HydrophobicContact CG-CE1 3.62Å; Q176-Y178 HydrophobicContact CG-CE2 4.21Å; Q176-Y178 WeakPolarHBondContact CG-OH 3.03Å; Y178-F180 WeakPolarHBondContact O-CD2 3.39Å; Y178-W191 HydrophobicContact CD2-CB 4.22Å; Y178-W191 AromaticContact CD2-CD1 3.67Å; Y178-W191 HydrophobicContact CD2-CG 4.29Å; Y178-W191 PolarHBondContact N-O 3.23Å; Y178-W191 PolarHBondContact O-N 3.17Å; Y178-D193 HydrophobicContact CE2-CB 4.31Å; Y178-D193 VanDerWaalsContact CE2-OD1 3.23Å; Y178-D193 WeakPolarHBondContact CE2-OD1 3.39Å; Y178-D193 VanDerWaalsContact CZ-OD1 3.3Å; Y178-D193 PolarHBondContact OH-OD1 3.31Å; Y178-D193 PolarHBondContact OH-OD2 2.88Å; Y178-D193 VanDerWaalsContact OH-OD2 3.06Å |
| 179 | L | 98.7 | Very high | 97.6 | Very high | 8 Ų | 8 | 44.1 Ų | 44.1 | 4% | 0.042 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 130.4 | -173.4 | -167.6 | 68.7 | 0 | 0 | 0 | 110.5 | I133 G134 V136 I141 F148 L188 | I133-L179 HydrophobicContact CD1-CD2 3.58Å; I133-L179 HydrophobicContact CD1-CG 3.86Å; I133-L179 HydrophobicContact CG1-CB 4.04Å; I133-L179 HydrophobicContact CG1-CD2 4.02Å; I133-L179 HydrophobicContact CG1-CG 3.92Å; I133-L179 WeakPolarHBondContact CG1-O 3.46Å; I133-L179 PolarHBondContact N-O 3.16Å; G134-L179 WeakPolarHBondContact O-CB 3.19Å; G134-L179 PolarHBondContact O-N 3.21Å; V136-L179 HydrophobicContact CG1-CB 3.81Å; V136-L179 HydrophobicContact CG1-CD2 4.01Å; V136-L179 HydrophobicContact CG1-CG 4.46Å; V136-L179 HydrophobicContact CG2-CB 3.94Å; I141-L179 HydrophobicContact CG2-CD1 4.33Å; F148-L179 HydrophobicContact CE1-CD1 3.67Å; F148-L179 HydrophobicContact CZ-CD1 3.63Å; L179-L188 HydrophobicContact CD1-CB 4.25Å; L179-L188 HydrophobicContact CD1-CD1 4.29Å; L179-L188 HydrophobicContact CD1-CD2 4.33Å; L179-L188 HydrophobicContact CD2-CD1 4.43Å; L179-L188 HydrophobicContact CD2-CD2 4.19Å; L179-L188 HydrophobicContact CG-CD2 4.24Å |
| 180 | F | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 154.5 | 178.1 | -69.6 | -98.3 | 0 | 0 | 0 | 111 | Y114 W122 L123 C130 A131 F132 Y178 L188 R189 W191 | Y114-F180 HydrophobicContact CD1-CZ 4.36Å; Y114-F180 HydrophobicContact CE1-CE1 4.44Å; Y114-F180 AromaticContact CE1-CZ 3.64Å; Y114-F180 HydrophobicContact CE1-CZ 3.64Å; W122-F180 AromaticContact CD1-CE1 3.79Å; W122-F180 HydrophobicContact CD2-CE1 4.06Å; W122-F180 AromaticContact CE2-CE1 3.93Å; W122-F180 HydrophobicContact CG-CE1 4.03Å; W122-F180 AromaticContact NE1-CE1 3.7Å; L123-F180 HydrophobicContact CB-CD1 4.48Å; L123-F180 HydrophobicContact CB-CD2 4.34Å; L123-F180 HydrophobicContact CB-CG 4.22Å; L123-F180 HydrophobicContact CD1-CD2 3.85Å; L123-F180 HydrophobicContact CD1-CE2 4.32Å; L123-F180 HydrophobicContact CD1-CG 4.39Å; L123-F180 HydrophobicContact CG-CD2 4.09Å; L123-F180 HydrophobicContact CG-CE2 4.22Å; L123-F180 HydrophobicContact CG-CG 4.47Å; C130-F180 HydrophobicContact CB-CB 3.68Å; C130-F180 HydrophobicContact CB-CD1 4.06Å; C130-F180 HydrophobicContact CB-CG 4.3Å; A131-F180 CarbonylContact O-C 3.47Å; A131-F180 WeakPolarHBondContact O-CA 3.23Å; F132-F180 HydrophobicContact CB-CD1 3.98Å; F132-F180 HydrophobicContact CB-CE1 3.69Å; F132-F180 HydrophobicContact CB-CZ 4.3Å; F132-F180 HydrophobicContact CD2-CE1 4.15Å; F132-F180 HydrophobicContact CD2-CE2 4.13Å; F132-F180 AromaticContact CD2-CZ 3.93Å; F132-F180 HydrophobicContact CD2-CZ 3.93Å; F132-F180 HydrophobicContact CG-CE1 4.38Å; Y178-F180 WeakPolarHBondContact O-CD2 3.39Å; F180-L188 VanDerWaalsContact O-CA 3.31Å; F180-L188 WeakPolarHBondContact O-CA 3.48Å; F180-R189 HydrophobicContact CB-CB 4.1Å; F180-R189 PolarHBondContact N-O 3.07Å; F180-R189 PolarHBondContact O-N 3.03Å; F180-W191 HydrophobicContact CE2-CB 4.1Å |
| 181 | R | 98.8 | Very high | 97.7 | Very high | 79 Ų | 79 | 39.3 Ų | 39.3 | 30% | 0.298 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 125.5 | 174.7 | -176.1 | 177 | -60.6 | -79.9 | -2.6 | 110.7 | C130 A131 I133 L183 G186 L188 | C130-R181 WeakPolarHBondContact CA-O 3.38Å; C130-R181 WeakPolarHBondContact CB-O 3.43Å; A131-R181 PolarHBondContact N-O 3.19Å; A131-R181 PolarHBondContact O-N 3.02Å; I133-R181 HydrophobicContact CD1-CB 4.24Å; I133-R181 HydrophobicContact CG2-CB 4.21Å; R181-L183 PolarHBondContact O-N 3.35Å; R181-G186 PolarHBondContact NH1-O 3.42Å; R181-L188 HydrophobicContact CB-CD2 4.42Å |
| 182 | C | 98.8 | Very high | 97.8 | Very high | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.007 | 19% | 0.19 | C | C | . | . | trans | -61.7 | 128.2 | 170.3 | 179.1 | 0 | 0 | 0 | 0 | 110.2 | H125 H184 G186 K187 | H125-C182 HydrophobicContact CB-CB 3.88Å; H125-C182 PolarHBondContact ND1-SG 3.16Å; H125-C182 PolarHBondContact O-SG 3Å; H125-C182 VanDerWaalsContact O-SG 3.42Å; C182-H184 VanDerWaalsContact C-N 3.25Å; C182-H184 PolarHBondContact O-N 3.44Å; C182-H184 PolarHBondContact SG-N 3.21Å; C182-G186 VanDerWaalsContact O-CA 3.23Å; C182-G186 WeakPolarHBondContact O-CA 3.37Å; C182-G186 PolarHBondContact O-N 2.85Å; C182-K187 PolarHBondContact N-O 2.83Å | ||
| 183 | L | 98.3 | Very high | 98 | Very high | 71 Ų | 71 | 31.3 Ų | 31.3 | 37% | 0.372 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -19.3 | -178.9 | -63.8 | 178.5 | 0 | 0 | 0 | 113.5 | K12 Y13 A131 R181 | K12-L183 HydrophobicContact CD-CD1 4.12Å; K12-L183 HydrophobicContact CG-CD1 3.63Å; Y13-L183 HydrophobicContact CD1-CD1 3.91Å; Y13-L183 HydrophobicContact CE1-CD1 3.76Å; A131-L183 HydrophobicContact CB-CD2 3.75Å; R181-L183 PolarHBondContact O-N 3.35Å |
| 184 | H | 98.2 | Very high | 98 | Very high | 118 Ų | 118 | 34.8 Ų | 34.8 | 55% | 0.546 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | -53.8 | -175.9 | -63.6 | -72.8 | 0 | 0 | 0 | 112.7 | C126 D128 C182 | C126-H184 HydrophobicContact CB-CB 3.93Å; D128-H184 WeakPolarHBondContact CB-NE2 3.48Å; D128-H184 IonicContact OD2-CE1 3.58Å; D128-H184 IonicContact OD2-NE2 3.47Å; D128-H184 PolarHBondContact OD2-NE2 3.31Å; C182-H184 VanDerWaalsContact C-N 3.25Å; C182-H184 PolarHBondContact O-N 3.44Å; C182-H184 PolarHBondContact SG-N 3.21Å |
| 185 | C | 98.4 | Very high | 98 | Very high | 65 Ų | 65 | 33.6 Ų | 33.6 | 44% | 0.439 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | -6.6 | -176.2 | 70.7 | 0 | 0 | 0 | 0 | 114 | H125 K187 | H125-C185 PolarHBondContact CE1-SG 3.27Å; H125-C185 PolarHBondContact ND1-SG 2.93Å; H125-C185 VanDerWaalsContact ND1-SG 3.43Å; C185-K187 PolarHBondContact O-N 3.37Å; C185-K187 VanDerWaalsContact SG-CB 3.57Å |
| 186 | G | 98.5 | Very high | 98 | Very high | 30 Ų | 30 | 35.2 Ų | 35.2 | 31% | 0.309 | 19% | 0.186 | S | C | . | . | trans | 73.9 | -2.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | R181 C182 | R181-G186 PolarHBondContact NH1-O 3.42Å; C182-G186 VanDerWaalsContact O-CA 3.23Å; C182-G186 WeakPolarHBondContact O-CA 3.37Å; C182-G186 PolarHBondContact O-N 2.85Å | ||
| 187 | K | 98.7 | Very high | 98 | Very high | 79 Ų | 79 | 36.4 Ų | 36.4 | 34% | 0.343 | 19% | 0.193 | S | C | . | . | trans | -62.3 | 149.2 | 176 | -73.3 | -70.7 | -163 | 154.5 | 0 | 111.7 | D146 E147 F148 A149 C182 C185 | D146-K187 PolarHBondContact O-NZ 3.34Å; E147-K187 CarbonylContact O-C 3.51Å; E147-K187 WeakPolarHBondContact O-CA 3.14Å; E147-K187 WeakPolarHBondContact O-CD 3.39Å; F148-K187 PolarHBondContact O-NZ 2.81Å; A149-K187 HydrophobicContact CB-CB 3.95Å; A149-K187 HydrophobicContact CB-CG 4.48Å; C182-K187 PolarHBondContact N-O 2.83Å; C185-K187 PolarHBondContact O-N 3.37Å; C185-K187 VanDerWaalsContact SG-CB 3.57Å | ||
| 188 | L | 98.8 | Very high | 98 | Very high | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 149.6 | 176.4 | -61.3 | 176.7 | 0 | 0 | 0 | 111.2 | I133 E147 F148 A149 L179 F180 R181 | I133-L188 HydrophobicContact CD1-CD2 3.97Å; E147-L188 HydrophobicContact CB-CD1 3.84Å; E147-L188 HydrophobicContact CB-CG 4.13Å; E147-L188 PolarHBondContact O-N 3.12Å; F148-L188 CarbonylContact C-O 3.42Å; F148-L188 VanDerWaalsContact CA-O 3.31Å; F148-L188 WeakPolarHBondContact CA-O 3.48Å; F148-L188 HydrophobicContact CD1-CB 3.6Å; F148-L188 HydrophobicContact CD2-CB 4.19Å; F148-L188 HydrophobicContact CD2-CD1 4.34Å; F148-L188 HydrophobicContact CE1-CB 3.63Å; F148-L188 HydrophobicContact CE2-CB 4.25Å; F148-L188 HydrophobicContact CE2-CD1 3.91Å; F148-L188 HydrophobicContact CG-CB 3.89Å; F148-L188 HydrophobicContact CZ-CB 3.99Å; F148-L188 HydrophobicContact CZ-CD1 4.01Å; A149-L188 PolarHBondContact N-O 2.83Å; L179-L188 HydrophobicContact CD1-CB 4.25Å; L179-L188 HydrophobicContact CD1-CD1 4.29Å; L179-L188 HydrophobicContact CD1-CD2 4.33Å; L179-L188 HydrophobicContact CD2-CD1 4.43Å; L179-L188 HydrophobicContact CD2-CD2 4.19Å; L179-L188 HydrophobicContact CG-CD2 4.24Å; F180-L188 VanDerWaalsContact O-CA 3.31Å; F180-L188 WeakPolarHBondContact O-CA 3.48Å; R181-L188 HydrophobicContact CB-CD2 4.42Å |
| 189 | R | 98.7 | Very high | 98 | Very high | 11 Ų | 11 | 40.6 Ų | 40.6 | 4% | 0.042 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 146.6 | 167.2 | -63.8 | -67.3 | -59.1 | -77.7 | 0.7 | 108.4 | E80 L123 A124 H125 D154 F180 | E80-R189 IonicContact OE1-CZ 3.43Å; E80-R189 IonicContact OE1-NH1 3.91Å; E80-R189 IonicContact OE1-NH2 3.65Å; E80-R189 PolarHBondContact OE1-NH2 3.02Å; E80-R189 IonicContact OE2-CZ 2.73Å; E80-R189 IonicContact OE2-NH1 2.79Å; E80-R189 PolarHBondContact OE2-NH1 2.98Å; E80-R189 IonicContact OE2-NH2 3.61Å; E80-R189 PolarHBondContact OE2-NH2 2.89Å; L123-R189 HydrophobicContact CB-CB 4.32Å; L123-R189 HydrophobicContact CD1-CB 3.64Å; A124-R189 PolarHBondContact O-NH1 3.32Å; H125-R189 HydrophobicContact CB-CG 4.33Å; D154-R189 IonicContact OD1-CZ 3.82Å; D154-R189 IonicContact OD1-NE 2.66Å; D154-R189 PolarHBondContact OD1-NE 2.84Å; D154-R189 IonicContact OD1-NH2 3.31Å; D154-R189 PolarHBondContact OD1-NH2 3.16Å; D154-R189 VanDerWaalsContact OD2-CA 3.29Å; D154-R189 WeakPolarHBondContact OD2-CA 3.43Å; D154-R189 IonicContact OD2-NE 2.85Å; D154-R189 PolarHBondContact OD2-NE 3.23Å; F180-R189 HydrophobicContact CB-CB 4.1Å; F180-R189 PolarHBondContact N-O 3.07Å; F180-R189 PolarHBondContact O-N 3.03Å |
| 190 | L | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 127.7 | 179.2 | -174.2 | 64.3 | 0 | 0 | 0 | 110.2 | L123 V136 I141 F148 L151 D154 F158 L165 L169 | L123-L190 VanDerWaalsContact CD1-C 3.48Å; V136-L190 HydrophobicContact CG2-CD1 3.95Å; I141-L190 HydrophobicContact CD1-CD2 4.12Å; F148-L190 HydrophobicContact CD1-CB 4.4Å; F148-L190 HydrophobicContact CE1-CB 3.82Å; L151-L190 HydrophobicContact CD1-CB 4.06Å; L151-L190 HydrophobicContact CD1-CD2 3.79Å; D154-L190 HydrophobicContact CB-CB 4.21Å; D154-L190 WeakPolarHBondContact CB-O 2.96Å; D154-L190 PolarHBondContact OD2-N 2.9Å; F158-L190 HydrophobicContact CE1-CD2 4.35Å; F158-L190 HydrophobicContact CE1-CG 4.31Å; F158-L190 HydrophobicContact CZ-CD2 4.2Å; L165-L190 HydrophobicContact CD1-CD2 4.46Å; L165-L190 HydrophobicContact CD2-CD2 4.02Å; L169-L190 HydrophobicContact CD2-CD2 4.43Å |
| 191 | W | 98.3 | Very high | 97.9 | Very high | 35 Ų | 35 | 45.5 Ų | 45.5 | 13% | 0.133 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 158.4 | 157.2 | -171.5 | -116.8 | 0 | 0 | 0 | 109.1 | F121 L123 N157 F158 G177 Y178 F180 | F121-W191 HydrophobicContact CB-CD2 4Å; F121-W191 HydrophobicContact CB-CG 4.32Å; F121-W191 HydrophobicContact CB-CZ2 3.82Å; F121-W191 HydrophobicContact CD1-CD2 4.27Å; F121-W191 HydrophobicContact CD1-CE3 4.16Å; F121-W191 HydrophobicContact CD1-CH2 4.27Å; F121-W191 HydrophobicContact CD1-CZ2 4.39Å; F121-W191 HydrophobicContact CD1-CZ3 4.14Å; F121-W191 HydrophobicContact CG-CD2 4.49Å; F121-W191 HydrophobicContact CG-CH2 4.35Å; F121-W191 HydrophobicContact CG-CZ2 4.1Å; L123-W191 HydrophobicContact CD1-CB 3.99Å; L123-W191 HydrophobicContact CD2-CE3 4.15Å; L123-W191 HydrophobicContact CG-CB 4.29Å; N157-W191 HydrophobicContact CB-CZ3 3.74Å; N157-W191 WeakPolarHBondContact O-CH2 3.47Å; F158-W191 HydrophobicContact CB-CE3 4.35Å; F158-W191 HydrophobicContact CB-CH2 4.07Å; F158-W191 HydrophobicContact CB-CZ2 4.28Å; F158-W191 HydrophobicContact CB-CZ3 4.11Å; F158-W191 HydrophobicContact CD1-CE3 4.32Å; G177-W191 CarbonylContact C-O 3.57Å; G177-W191 WeakPolarHBondContact CA-O 3.29Å; Y178-W191 HydrophobicContact CD2-CB 4.22Å; Y178-W191 AromaticContact CD2-CD1 3.67Å; Y178-W191 HydrophobicContact CD2-CG 4.29Å; Y178-W191 PolarHBondContact N-O 3.23Å; Y178-W191 PolarHBondContact O-N 3.17Å; F180-W191 HydrophobicContact CE2-CB 4.1Å |
| 192 | G | 97.5 | Very high | 97.9 | Very high | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.01 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 158.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111 | F158 Q176 | F158-G192 WeakPolarHBondContact CB-O 3.12Å; F158-G192 WeakPolarHBondContact CG-O 3.16Å; Q176-G192 WeakPolarHBondContact O-CA 3.41Å |
| 193 | D | 97.1 | Very high | 97.8 | Very high | 9 Ų | 9 | 46.3 Ų | 46.3 | 5% | 0.048 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 178.2 | 173.2 | 66.1 | 1.9 | 0 | 0 | 0 | 110.4 | W117 Q118 C175 Q176 Y178 | W117-D193 WeakPolarHBondContact CA-OD2 3.45Å; W117-D193 PolarHBondContact N-OD2 3.19Å; Q118-D193 HydrophobicContact CB-CB 4.19Å; Q118-D193 HydrophobicContact CG-CB 4.14Å; Q118-D193 PolarHBondContact N-OD2 2.95Å; C175-D193 WeakPolarHBondContact CA-O 3.18Å; Q176-D193 PolarHBondContact N-O 3.27Å; Q176-D193 PolarHBondContact O-N 3.14Å; Y178-D193 HydrophobicContact CE2-CB 4.31Å; Y178-D193 VanDerWaalsContact CE2-OD1 3.23Å; Y178-D193 WeakPolarHBondContact CE2-OD1 3.39Å; Y178-D193 VanDerWaalsContact CZ-OD1 3.3Å; Y178-D193 PolarHBondContact OH-OD1 3.31Å; Y178-D193 PolarHBondContact OH-OD2 2.88Å; Y178-D193 VanDerWaalsContact OH-OD2 3.06Å |
| 194 | F | 96.2 | Very high | 97.7 | Very high | 82 Ų | 82 | 44.3 Ų | 44.3 | 36% | 0.36 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 138 | -177.7 | -57.9 | -96.5 | 0 | 0 | 0 | 111.2 | Q118 F158 I160 D174 C175 | Q118-F194 PolarHBondContact NE2-O 3.35Å; F158-F194 HydrophobicContact CD2-CE2 4.25Å; I160-F194 HydrophobicContact CG2-CE2 4.14Å; I160-F194 HydrophobicContact CG2-CZ 3.56Å; D174-F194 WeakPolarHBondContact O-CA 3.33Å; C175-F194 HydrophobicContact CB-CD1 3.71Å; C175-F194 HydrophobicContact CB-CE1 3.46Å; C175-F194 VanDerWaalsContact CB-CE1 3.46Å; C175-F194 HydrophobicContact CB-CZ 4.24Å; C175-F194 WeakPolarHBondContact SG-CE1 3.39Å |
| 195 | S | 93.8 | Very high | 97.7 | Very high | 100 Ų | 100 | 37.5 Ų | 37.5 | 70% | 0.699 | 22% | 0.217 | S | C | * | . | trans | -70.3 | 0 | 176.7 | 66.7 | 0 | 0 | 0 | 0 | 113.6 | D174 | D174-S195 PolarHBondContact O-N 3.05Å; D174-S195 VanDerWaalsContact O-N 3.16Å |
Retrieved 195 of 195 residues in 120.2 ms
(Link to these results)