| 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 | 56.1 | Low | 81.2 | Confident | 214 Ų | 214 | 88.7 Ų | 88.7 | 100% | 1.054 | 48% | 0.479 | S | S | * | . | 0 | 148.2 | 0 | -62.1 | 169.5 | 79.7 | 0 | 0 | 107.3 | |||||
| 2 | A | 61.2 | Low | 82.3 | Confident | 58 Ų | 58 | 87.8 Ų | 87.8 | 48% | 0.479 | 48% | 0.478 | S | S | . | . | P | Polyproline II helix | trans | -56.4 | 143.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | K52 | A2-K52 PolarHBondContact O-NZ 3.4Š|
| 3 | E | 78.9 | Confident | 83.3 | Confident | 152 Ų | 152 | 84.4 Ų | 84.4 | 71% | 0.71 | 46% | 0.456 | S | S | * | . | P | Polyproline II helix | trans | -93.1 | 138.3 | 172.8 | -173.8 | 176.4 | 176.1 | 0 | 0 | 108.9 | ||
| 4 | F | 83.8 | Confident | 84 | Confident | 3 Ų | 3 | 84.4 Ų | 84.4 | 1% | 0.013 | 46% | 0.456 | C | S | . | . | P | Polyproline II helix | trans | -99.3 | 134.9 | -176.8 | -61.5 | -61.8 | 0 | 0 | 0 | 110.5 | E6 E19 H23 Y41 L45 Q48 | F4-E6 PolarHBondContact O-N 3.2Å; F4-E19 HydrophobicContact CD1-CG 4.47Å; F4-E19 HydrophobicContact CE1-CG 4.31Å; F4-H23 AromaticContact CE1-CD2 3.6Å; F4-H23 AromaticContact CE1-NE2 3.59Å; F4-H23 AromaticContact CZ-CD2 3.67Å; F4-H23 AromaticContact CZ-CE1 3.57Å; F4-H23 AromaticContact CZ-CG 3.88Å; F4-H23 AromaticContact CZ-ND1 3.8Å; F4-H23 AromaticContact CZ-NE2 3.45Å; F4-H23 WeakPolarHBondContact CZ-NE2 3.16Å; F4-Y41 HydrophobicContact CB-CE1 4.13Å; F4-L45 HydrophobicContact CB-CB 4.23Å; F4-L45 HydrophobicContact CD1-CB 3.85Å; F4-L45 HydrophobicContact CD1-CD1 4.06Å; F4-L45 HydrophobicContact CD1-CG 4.42Å; F4-L45 HydrophobicContact CD2-CB 3.99Å; F4-L45 WeakPolarHBondContact CD2-O 3.45Å; F4-L45 HydrophobicContact CE1-CB 4.13Å; F4-L45 HydrophobicContact CE1-CD1 4.02Å; F4-L45 HydrophobicContact CE1-CD2 4.17Å; F4-L45 HydrophobicContact CE1-CG 4.33Å; F4-L45 HydrophobicContact CE2-CB 4.25Å; F4-L45 HydrophobicContact CG-CB 3.76Å; F4-L45 HydrophobicContact CZ-CB 4.3Å; F4-L45 HydrophobicContact CZ-CD2 4.06Å; F4-Q48 HydrophobicContact CD2-CB 4.18Å; F4-Q48 HydrophobicContact CE2-CB 3.74Å; F4-Q48 HydrophobicContact CE2-CG 4.48Å |
| 5 | L | 83.8 | Confident | 84.7 | Confident | 83 Ų | 83 | 87.4 Ų | 87.4 | 44% | 0.435 | 46% | 0.463 | S | S | . | . | P | Polyproline II helix | trans | -67.1 | 129.9 | 178.5 | -93.3 | 64.7 | 0 | 0 | 0 | 110.5 | D7 L11 Y41 | L5-D7 PolarHBondContact O-N 2.93Å; L5-L11 HydrophobicContact CD2-CD2 4.26Å; L5-L11 HydrophobicContact CD2-CG 4.38Å; L5-Y41 PolarHBondContact N-OH 3.42Å; L5-Y41 VanDerWaalsContact N-OH 3.15Å; L5-Y41 WeakPolarHBondContact O-CE1 3.32Å |
| 6 | E | 84.5 | Confident | 85.3 | Confident | 143 Ų | 143 | 81.9 Ų | 81.9 | 67% | 0.668 | 43% | 0.434 | S | S | * | . | S | Bend | trans | -67.5 | -28.9 | 172.2 | -57.8 | -172.1 | 152.7 | 0 | 0 | 111.7 | F4 P8 L42 | F4-E6 PolarHBondContact O-N 3.2Å; E6-P8 WeakPolarHBondContact O-CD 3.37Å; E6-L42 WeakPolarHBondContact O-CD2 3.33Å |
| 7 | D | 85.1 | Confident | 85.7 | Confident | 114 Ų | 114 | 79.3 Ų | 79.3 | 61% | 0.61 | 42% | 0.418 | S | S | * | . | trans | -108.2 | 74.6 | 173.9 | -89.3 | -47.7 | 0 | 0 | 0 | 112.8 | L5 S9 V10 | L5-D7 PolarHBondContact O-N 2.93Å; D7-S9 PolarHBondContact O-N 2.97Å; D7-V10 PolarHBondContact O-N 3.42Å | ||
| 8 | P | 88.4 | Confident | 86.2 | Confident | 1 Ų | 1 | 80.7 Ų | 80.7 | 1% | 0.006 | 43% | 0.426 | C | S | . | . | G | 310 helix | trans | -66.6 | -4.3 | 173.5 | 24 | -28.7 | 0 | 0 | 0 | 113.6 | E6 V10 L11 L16 V38 Y41 L42 | E6-P8 WeakPolarHBondContact O-CD 3.37Å; P8-V10 PolarHBondContact O-N 3.21Å; P8-L11 HydrophobicContact CB-CD1 4.28Å; P8-L11 PolarHBondContact O-N 3.03Å; P8-L16 HydrophobicContact CB-CD2 3.7Å; P8-V38 HydrophobicContact CB-CG1 4.45Å; P8-V38 HydrophobicContact CG-CG1 4.06Å; P8-Y41 HydrophobicContact CB-CD1 3.58Å; P8-Y41 HydrophobicContact CB-CD2 4.17Å; P8-Y41 HydrophobicContact CB-CE1 4Å; P8-Y41 HydrophobicContact CB-CG 3.69Å; P8-Y41 HydrophobicContact CG-CD1 3.66Å; P8-Y41 HydrophobicContact CG-CE1 4.28Å; P8-Y41 HydrophobicContact CG-CG 4.07Å; P8-L42 HydrophobicContact CG-CD1 4.39Å; P8-L42 HydrophobicContact CG-CD2 3.6Å; P8-L42 HydrophobicContact CG-CG 3.62Å |
| 9 | S | 88.8 | Confident | 86.5 | Confident | 62 Ų | 62 | 79.5 Ų | 79.5 | 43% | 0.434 | 42% | 0.418 | S | S | . | . | G | 310 helix | trans | -57.6 | -29.1 | 170.9 | 62.3 | 0 | 0 | 0 | 0 | 112.8 | D7 K34 | D7-S9 PolarHBondContact O-N 2.97Å; S9-K34 WeakPolarHBondContact O-CE 3.33Å; S9-K34 PolarHBondContact O-NZ 3.16Å |
| 10 | V | 91.8 | Very high | 86.8 | Confident | 115 Ų | 115 | 75.5 Ų | 75.5 | 70% | 0.697 | 40% | 0.397 | S | S | * | . | G | 310 helix | trans | -75.3 | -26.6 | 178.7 | -174.6 | 0 | 0 | 0 | 0 | 112.4 | D7 P8 | D7-V10 PolarHBondContact O-N 3.42Å; P8-V10 PolarHBondContact O-N 3.21Å |
| 11 | L | 90.5 | Very high | 87.1 | Confident | 31 Ų | 31 | 75.3 Ų | 75.3 | 16% | 0.162 | 40% | 0.399 | C | S | . | . | S | Bend | trans | -72.2 | 152.1 | -175.7 | -63.3 | 173.8 | 0 | 0 | 0 | 112.5 | L5 P8 K15 L16 K34 Y41 | L5-L11 HydrophobicContact CD2-CD2 4.26Å; L5-L11 HydrophobicContact CD2-CG 4.38Å; P8-L11 HydrophobicContact CB-CD1 4.28Å; P8-L11 PolarHBondContact O-N 3.03Å; L11-K15 HydrophobicContact CB-CB 4.4Å; L11-K15 HydrophobicContact CD2-CD 4.32Å; L11-L16 HydrophobicContact CB-CD1 4.45Å; L11-L16 HydrophobicContact CB-CD2 3.82Å; L11-L16 HydrophobicContact CB-CG 3.84Å; L11-L16 HydrophobicContact CD1-CD2 3.71Å; L11-L16 HydrophobicContact CD1-CG 4.49Å; L11-L16 HydrophobicContact CG-CD2 4.38Å; L11-K34 WeakPolarHBondContact O-CE 3.47Å; L11-K34 PolarHBondContact O-NZ 3.37Å; L11-Y41 HydrophobicContact CD1-CD2 4.32Å; L11-Y41 HydrophobicContact CD1-CE2 3.67Å |
| 12 | T | 95.1 | Very high | 88.8 | Confident | 77 Ų | 77 | 68.3 Ų | 68.3 | 47% | 0.472 | 38% | 0.375 | S | S | . | . | trans | -73.9 | 155.8 | 171.5 | 59.1 | 0 | 0 | 0 | 0 | 110.6 | D14 K15 L16 | T12-D14 PolarHBondContact O-N 3.06Å; T12-D14 VanDerWaalsContact O-N 3.16Å; T12-K15 PolarHBondContact O-N 2.95Å; T12-K15 VanDerWaalsContact O-N 3.16Å; T12-K15 WeakPolarHBondContact OG1-CB 3.45Å; T12-K15 WeakPolarHBondContact OG1-CG 3.27Å; T12-K15 PolarHBondContact OG1-N 2.68Å; T12-L16 WeakPolarHBondContact O-CG 3.3Å; T12-L16 PolarHBondContact O-N 3.36Å | ||
| 13 | K | 94.4 | Very high | 90.1 | Very high | 44 Ų | 44 | 68.8 Ų | 68.8 | 19% | 0.191 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -51.2 | -41 | 179.7 | 176.5 | 174.7 | 161.6 | -179 | 0 | 111.8 | L16 K17 D31 Q32 K34 Y37 | K13-L16 WeakPolarHBondContact O-CB 3.31Å; K13-L16 PolarHBondContact O-N 3.07Å; K13-K17 WeakPolarHBondContact O-CG 3.03Å; K13-K17 PolarHBondContact O-N 3.47Å; K13-D31 WeakPolarHBondContact CE-OD1 3.4Å; K13-D31 PolarHBondContact NZ-O 3.31Å; K13-D31 IonicContact NZ-OD1 2.67Å; K13-D31 PolarHBondContact NZ-OD1 3.3Å; K13-D31 IonicContact NZ-OD2 2.97Å; K13-D31 PolarHBondContact NZ-OD2 3.44Å; K13-Q32 WeakPolarHBondContact CE-O 3.43Å; K13-Q32 PolarHBondContact NZ-O 2.91Å; K13-K34 HydrophobicContact CB-CB 4.36Å; K13-Y37 HydrophobicContact CD-CE2 4.47Å; K13-Y37 HydrophobicContact CG-CD2 4.16Å; K13-Y37 HydrophobicContact CG-CE2 4.3Å |
| 14 | D | 93.9 | Very high | 90.7 | Very high | 84 Ų | 84 | 68.6 Ų | 68.6 | 45% | 0.449 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -84.2 | -26.7 | -175.3 | -45.4 | -69.4 | 0 | 0 | 0 | 112.8 | T12 L16 K17 N18 | T12-D14 PolarHBondContact O-N 3.06Å; T12-D14 VanDerWaalsContact O-N 3.16Å; D14-L16 VanDerWaalsContact C-N 3.32Å; D14-K17 PolarHBondContact O-N 3.16Å; D14-K17 IonicContact OD1-NZ 2.74Å; D14-K17 PolarHBondContact OD1-NZ 3.45Å; D14-N18 WeakPolarHBondContact O-CB 3.42Å; D14-N18 PolarHBondContact O-N 2.99Å; D14-N18 PolarHBondContact O-OD1 3.38Å |
| 15 | K | 93.9 | Very high | 91 | Very high | 130 Ų | 130 | 69.2 Ų | 69.2 | 57% | 0.565 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -62.2 | -41 | 164.6 | -78.4 | -177.8 | 177.3 | -171.3 | 0 | 111.3 | L11 T12 N18 E19 | L11-K15 HydrophobicContact CB-CB 4.4Å; L11-K15 HydrophobicContact CD2-CD 4.32Å; T12-K15 PolarHBondContact O-N 2.95Å; T12-K15 VanDerWaalsContact O-N 3.16Å; T12-K15 WeakPolarHBondContact OG1-CB 3.45Å; T12-K15 WeakPolarHBondContact OG1-CG 3.27Å; T12-K15 PolarHBondContact OG1-N 2.68Å; K15-N18 PolarHBondContact O-N 2.97Å; K15-E19 PolarHBondContact O-N 3.03Å |
| 16 | L | 93.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -63.8 | -46.2 | 175.4 | -65.2 | 164 | 0 | 0 | 0 | 111.7 | P8 L11 T12 K13 D14 N18 E19 L20 K34 V38 Y41 | P8-L16 HydrophobicContact CB-CD2 3.7Å; L11-L16 HydrophobicContact CB-CD1 4.45Å; L11-L16 HydrophobicContact CB-CD2 3.82Å; L11-L16 HydrophobicContact CB-CG 3.84Å; L11-L16 HydrophobicContact CD1-CD2 3.71Å; L11-L16 HydrophobicContact CD1-CG 4.49Å; L11-L16 HydrophobicContact CG-CD2 4.38Å; T12-L16 WeakPolarHBondContact O-CG 3.3Å; T12-L16 PolarHBondContact O-N 3.36Å; K13-L16 WeakPolarHBondContact O-CB 3.31Å; K13-L16 PolarHBondContact O-N 3.07Å; D14-L16 VanDerWaalsContact C-N 3.32Å; L16-N18 VanDerWaalsContact C-N 3.34Å; L16-N18 PolarHBondContact O-N 3.45Å; L16-E19 PolarHBondContact O-N 2.75Å; L16-L20 WeakPolarHBondContact O-CB 3.17Å; L16-L20 VanDerWaalsContact O-CD1 3.31Å; L16-L20 WeakPolarHBondContact O-CD1 3.48Å; L16-L20 WeakPolarHBondContact O-CG 3.35Å; L16-L20 PolarHBondContact O-N 3.15Å; L16-K34 HydrophobicContact CD1-CG 4.07Å; L16-V38 HydrophobicContact CD1-CG2 3.48Å; L16-V38 VanDerWaalsContact CD1-CG2 3.48Å; L16-Y41 HydrophobicContact CD2-CD2 3.5Å; L16-Y41 HydrophobicContact CD2-CE2 4.17Å; L16-Y41 HydrophobicContact CD2-CG 4.02Å |
| 17 | K | 93.3 | Very high | 91.4 | Very high | 37 Ų | 37 | 66.8 Ų | 66.8 | 16% | 0.161 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -54.9 | -48.9 | 173.1 | -71.9 | 174.5 | -176.7 | 165 | 0 | 111.6 | K13 D14 L20 T21 L27 D31 Y37 | K13-K17 WeakPolarHBondContact O-CG 3.03Å; K13-K17 PolarHBondContact O-N 3.47Å; D14-K17 PolarHBondContact O-N 3.16Å; D14-K17 IonicContact OD1-NZ 2.74Å; D14-K17 PolarHBondContact OD1-NZ 3.45Å; K17-L20 PolarHBondContact O-N 3.41Å; K17-T21 PolarHBondContact O-N 3.4Å; K17-T21 PolarHBondContact O-OG1 2.84Å; K17-L27 HydrophobicContact CB-CD1 4.11Å; K17-L27 HydrophobicContact CG-CD1 4.15Å; K17-D31 VanDerWaalsContact CE-OD1 3.3Å; K17-D31 WeakPolarHBondContact CE-OD1 3.45Å; K17-D31 IonicContact NZ-OD1 2.75Å; K17-D31 PolarHBondContact NZ-OD1 3.2Å; K17-Y37 HydrophobicContact CG-CD1 3.94Å; K17-Y37 HydrophobicContact CG-CE1 3.85Å; K17-Y37 HydrophobicContact CG-CG 4.45Å |
| 18 | N | 93.4 | Very high | 91.6 | Very high | 105 Ų | 105 | 63.2 Ų | 63.2 | 56% | 0.561 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -65.6 | -41.8 | -176.3 | -69 | 1.2 | 0 | 0 | 0 | 112.5 | D14 K15 L16 L20 T21 A22 | D14-N18 WeakPolarHBondContact O-CB 3.42Å; D14-N18 PolarHBondContact O-N 2.99Å; D14-N18 PolarHBondContact O-OD1 3.38Å; K15-N18 PolarHBondContact O-N 2.97Å; L16-N18 VanDerWaalsContact C-N 3.34Å; L16-N18 PolarHBondContact O-N 3.45Å; N18-L20 VanDerWaalsContact C-N 3.34Å; N18-T21 PolarHBondContact O-N 3.02Å; N18-T21 PolarHBondContact O-OG1 3.34Å; N18-T21 VanDerWaalsContact O-OG1 3.06Å; N18-A22 VanDerWaalsContact O-CB 3.27Å; N18-A22 WeakPolarHBondContact O-CB 3.46Å; N18-A22 PolarHBondContact O-N 2.94Å |
| 19 | E | 92 | Very high | 91.1 | Very high | 57 Ų | 57 | 68.6 Ų | 68.6 | 27% | 0.266 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -65.8 | -40.5 | 177 | -157.8 | 78.6 | 175.7 | 0 | 0 | 111.4 | F4 K15 L16 A22 H23 Y41 L45 | F4-E19 HydrophobicContact CD1-CG 4.47Å; F4-E19 HydrophobicContact CE1-CG 4.31Å; K15-E19 PolarHBondContact O-N 3.03Å; L16-E19 PolarHBondContact O-N 2.75Å; E19-A22 PolarHBondContact O-N 2.81Å; E19-H23 PolarHBondContact O-N 3.34Å; E19-Y41 HydrophobicContact CB-CD2 4.35Å; E19-Y41 HydrophobicContact CB-CE2 3.91Å; E19-Y41 HydrophobicContact CG-CD2 4.49Å; E19-Y41 HydrophobicContact CG-CE2 3.73Å; E19-L45 HydrophobicContact CB-CD1 4.34Å; E19-L45 HydrophobicContact CG-CD1 3.76Å |
| 20 | L | 92.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -62.6 | -45 | 176.6 | -73.9 | 165.9 | 0 | 0 | 0 | 111.7 | L16 K17 N18 H23 N24 V25 L27 Y37 L40 L45 | L16-L20 WeakPolarHBondContact O-CB 3.17Å; L16-L20 VanDerWaalsContact O-CD1 3.31Å; L16-L20 WeakPolarHBondContact O-CD1 3.48Å; L16-L20 WeakPolarHBondContact O-CG 3.35Å; L16-L20 PolarHBondContact O-N 3.15Å; K17-L20 PolarHBondContact O-N 3.41Å; N18-L20 VanDerWaalsContact C-N 3.34Å; L20-H23 CarbonylContact O-C 3.34Å; L20-H23 PolarHBondContact O-N 3.06Å; L20-N24 PolarHBondContact O-N 3.28Å; L20-V25 HydrophobicContact CB-CB 4.24Å; L20-V25 HydrophobicContact CD2-CB 3.88Å; L20-V25 HydrophobicContact CD2-CG1 3.93Å; L20-V25 HydrophobicContact CD2-CG2 4.05Å; L20-V25 WeakPolarHBondContact O-CB 3.15Å; L20-V25 PolarHBondContact O-N 2.73Å; L20-L27 HydrophobicContact CB-CD2 3.76Å; L20-L27 HydrophobicContact CD1-CD2 4.05Å; L20-Y37 HydrophobicContact CD1-CD1 4.15Å; L20-L40 HydrophobicContact CD1-CB 4.15Å; L20-L40 HydrophobicContact CD1-CD2 4.17Å; L20-L40 HydrophobicContact CD1-CG 4.4Å; L20-L40 HydrophobicContact CD2-CB 4.22Å; L20-L40 HydrophobicContact CD2-CD2 4.33Å; L20-L40 HydrophobicContact CD2-CG 4Å; L20-L45 HydrophobicContact CD2-CD1 4.47Å |
| 21 | T | 92.4 | Very high | 90.3 | Very high | 72 Ų | 72 | 68.4 Ų | 68.4 | 44% | 0.442 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -69.8 | -38.4 | 176.7 | 52.4 | 0 | 0 | 0 | 0 | 112.5 | K17 N18 H23 N24 L27 | K17-T21 PolarHBondContact O-N 3.4Å; K17-T21 PolarHBondContact O-OG1 2.84Å; N18-T21 PolarHBondContact O-N 3.02Å; N18-T21 PolarHBondContact O-OG1 3.34Å; N18-T21 VanDerWaalsContact O-OG1 3.06Å; T21-H23 PolarHBondContact O-N 2.72Å; T21-N24 PolarHBondContact O-N 3.16Å; T21-L27 HydrophobicContact CG2-CD1 3.72Å; T21-L27 HydrophobicContact CG2-CD2 4.29Å; T21-L27 HydrophobicContact CG2-CG 3.83Å |
| 22 | A | 91.8 | Very high | 90.2 | Very high | 66 Ų | 66 | 70.5 Ų | 70.5 | 55% | 0.545 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -60.1 | -33.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | N18 E19 N24 | N18-A22 VanDerWaalsContact O-CB 3.27Å; N18-A22 WeakPolarHBondContact O-CB 3.46Å; N18-A22 PolarHBondContact O-N 2.94Å; E19-A22 PolarHBondContact O-N 2.81Å; A22-N24 VanDerWaalsContact C-N 3.35Å |
| 23 | H | 90 | Very high | 90.2 | Very high | 68 Ų | 68 | 74.2 Ų | 74.2 | 32% | 0.315 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | 20.9 | 173.7 | -78.7 | -76.3 | 0 | 0 | 0 | 114.6 | F4 E19 L20 T21 V25 L45 | F4-H23 AromaticContact CE1-CD2 3.6Å; F4-H23 AromaticContact CE1-NE2 3.59Å; F4-H23 AromaticContact CZ-CD2 3.67Å; F4-H23 AromaticContact CZ-CE1 3.57Å; F4-H23 AromaticContact CZ-CG 3.88Å; F4-H23 AromaticContact CZ-ND1 3.8Å; F4-H23 AromaticContact CZ-NE2 3.45Å; F4-H23 WeakPolarHBondContact CZ-NE2 3.16Å; E19-H23 PolarHBondContact O-N 3.34Å; L20-H23 CarbonylContact O-C 3.34Å; L20-H23 PolarHBondContact O-N 3.06Å; T21-H23 PolarHBondContact O-N 2.72Å; H23-V25 PolarHBondContact O-N 3.18Å; H23-L45 HydrophobicContact CB-CD2 3.56Å |
| 24 | N | 90.4 | Very high | 90.2 | Very high | 148 Ų | 148 | 76 Ų | 76 | 79% | 0.791 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.1 | 25.6 | 173.7 | -57.7 | -82.9 | 0 | 0 | 0 | 114.6 | L20 T21 A22 | L20-N24 PolarHBondContact O-N 3.28Å; T21-N24 PolarHBondContact O-N 3.16Å; A22-N24 VanDerWaalsContact C-N 3.35Å |
| 25 | V | 90.3 | Very high | 90.1 | Very high | 16 Ų | 16 | 77.9 Ų | 77.9 | 10% | 0.097 | 43% | 0.43 | C | S | . | . | P | Polyproline II helix | trans | -84.9 | 121.8 | 175.6 | -171 | 0 | 0 | 0 | 0 | 109 | L20 H23 L27 L40 N44 L45 | L20-V25 HydrophobicContact CB-CB 4.24Å; L20-V25 HydrophobicContact CD2-CB 3.88Å; L20-V25 HydrophobicContact CD2-CG1 3.93Å; L20-V25 HydrophobicContact CD2-CG2 4.05Å; L20-V25 WeakPolarHBondContact O-CB 3.15Å; L20-V25 PolarHBondContact O-N 2.73Å; H23-V25 PolarHBondContact O-N 3.18Å; V25-L27 PolarHBondContact O-N 3.15Å; V25-L40 HydrophobicContact CG1-CD1 4.25Å; V25-L40 HydrophobicContact CG1-CD2 3.92Å; V25-L40 HydrophobicContact CG1-CG 3.87Å; V25-N44 HydrophobicContact CG1-CB 4.45Å; V25-N44 HydrophobicContact CG2-CB 3.87Å; V25-L45 HydrophobicContact CG2-CD2 4.46Å |
| 26 | P | 87.7 | Confident | 90.1 | Very high | 111 Ų | 111 | 74 Ų | 74 | 72% | 0.721 | 42% | 0.417 | S | S | * | . | P | Polyproline II helix | trans | -65.8 | 128 | -179.2 | 26.3 | -33.9 | 0 | 0 | 0 | 110.8 | ||
| 27 | L | 89 | Confident | 90.1 | Very high | 65 Ų | 65 | 74.1 Ų | 74.1 | 34% | 0.34 | 42% | 0.418 | S | S | . | . | P | Polyproline II helix | trans | -74.9 | 142.7 | 175.5 | -59.9 | -174.5 | 0 | 0 | 0 | 110.5 | K17 L20 T21 V25 Y37 | K17-L27 HydrophobicContact CB-CD1 4.11Å; K17-L27 HydrophobicContact CG-CD1 4.15Å; L20-L27 HydrophobicContact CB-CD2 3.76Å; L20-L27 HydrophobicContact CD1-CD2 4.05Å; T21-L27 HydrophobicContact CG2-CD1 3.72Å; T21-L27 HydrophobicContact CG2-CD2 4.29Å; T21-L27 HydrophobicContact CG2-CG 3.83Å; V25-L27 PolarHBondContact O-N 3.15Å; L27-Y37 HydrophobicContact CD2-CD1 4.17Å; L27-Y37 HydrophobicContact CD2-CE1 4.17Å |
| 28 | P | 88.8 | Confident | 90.2 | Very high | 39 Ų | 39 | 73.5 Ų | 73.5 | 25% | 0.253 | 42% | 0.417 | S | S | . | . | P | Polyproline II helix | trans | -69.1 | 145.9 | 174.5 | 31.8 | -36.9 | 0 | 0 | 0 | 110.8 | Q32 V36 Y37 | P28-Q32 HydrophobicContact CG-CG 4.32Å; P28-V36 HydrophobicContact CG-CG1 4.11Å; P28-Y37 HydrophobicContact CG-CE1 4.18Å |
| 29 | S | 78.5 | Confident | 90.2 | Very high | 113 Ų | 113 | 74.9 Ų | 74.9 | 79% | 0.79 | 42% | 0.42 | S | S | * | . | S | Bend | trans | -59.8 | 136.8 | -176.2 | -52.9 | 0 | 0 | 0 | 0 | 112.9 | Q32 | S29-Q32 PolarHBondContact O-NE2 3.31Š|
| 30 | G | 81.4 | Confident | 90.3 | Very high | 60 Ų | 60 | 74 Ų | 74 | 62% | 0.619 | 42% | 0.417 | S | S | * | . | S | Bend | trans | 78.5 | 172.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q32 Y37 | G30-Q32 PolarHBondContact O-N 2.97Å; G30-Q32 VanDerWaalsContact O-N 3.16Å; G30-Y37 PolarHBondContact O-OH 2.84Å |
| 31 | D | 82.9 | Confident | 90.3 | Very high | 114 Ų | 114 | 74.2 Ų | 74.2 | 61% | 0.61 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -93 | 77.4 | -169 | -161.3 | 29.5 | 0 | 0 | 0 | 112.3 | K13 K17 | K13-D31 WeakPolarHBondContact CE-OD1 3.4Å; K13-D31 PolarHBondContact NZ-O 3.31Å; K13-D31 IonicContact NZ-OD1 2.67Å; K13-D31 PolarHBondContact NZ-OD1 3.3Å; K13-D31 IonicContact NZ-OD2 2.97Å; K13-D31 PolarHBondContact NZ-OD2 3.44Å; K17-D31 VanDerWaalsContact CE-OD1 3.3Å; K17-D31 WeakPolarHBondContact CE-OD1 3.45Å; K17-D31 IonicContact NZ-OD1 2.75Å; K17-D31 PolarHBondContact NZ-OD1 3.2Å |
| 32 | Q | 88.8 | Confident | 90.3 | Very high | 74 Ų | 74 | 74.2 Ų | 74.2 | 35% | 0.346 | 42% | 0.415 | S | S | . | . | trans | -74.3 | 177.5 | -165.3 | -52.3 | -156.7 | -4.3 | 0 | 0 | 114.4 | K13 P28 S29 G30 V36 Y37 | K13-Q32 WeakPolarHBondContact CE-O 3.43Å; K13-Q32 PolarHBondContact NZ-O 2.91Å; P28-Q32 HydrophobicContact CG-CG 4.32Å; S29-Q32 PolarHBondContact O-NE2 3.31Å; G30-Q32 PolarHBondContact O-N 2.97Å; G30-Q32 VanDerWaalsContact O-N 3.16Å; Q32-V36 HydrophobicContact CB-CB 4.48Å; Q32-V36 HydrophobicContact CB-CG2 4.33Å; Q32-Y37 HydrophobicContact CB-CE2 4.05Å; Q32-Y37 PolarHBondContact N-OH 3.25Å; Q32-Y37 VanDerWaalsContact N-OH 3.15Å | ||
| 33 | K | 94.1 | Very high | 90.3 | Very high | 156 Ų | 156 | 78.2 Ų | 78.2 | 68% | 0.678 | 42% | 0.419 | S | S | * | . | trans | -63.2 | 146.1 | 175.8 | -67.2 | -174.8 | 178.7 | -176.2 | 0 | 111 | E35 V36 Y37 | K33-E35 PolarHBondContact O-N 3.37Å; K33-E35 VanDerWaalsContact O-N 3.13Å; K33-V36 PolarHBondContact O-N 3.28Å; K33-Y37 WeakPolarHBondContact O-CD2 3.4Å | ||
| 34 | K | 94.3 | Very high | 90.2 | Very high | 81 Ų | 81 | 77.5 Ų | 77.5 | 35% | 0.352 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -48.2 | -42.9 | 176.1 | 170 | 173.1 | 160.5 | 172.1 | 0 | 112.2 | S9 L11 K13 L16 V36 Y37 V38 | S9-K34 WeakPolarHBondContact O-CE 3.33Å; S9-K34 PolarHBondContact O-NZ 3.16Å; L11-K34 WeakPolarHBondContact O-CE 3.47Å; L11-K34 PolarHBondContact O-NZ 3.37Å; K13-K34 HydrophobicContact CB-CB 4.36Å; L16-K34 HydrophobicContact CD1-CG 4.07Å; K34-V36 PolarHBondContact O-N 2.9Å; K34-Y37 PolarHBondContact O-N 3.18Å; K34-V38 HydrophobicContact CG-CG2 3.96Å; K34-V38 WeakPolarHBondContact O-CG2 3.48Å; K34-V38 PolarHBondContact O-N 2.95Å |
| 35 | E | 92.9 | Very high | 90 | Very high | 124 Ų | 124 | 70.4 Ų | 70.4 | 58% | 0.579 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -52.9 | -35.6 | -179.9 | -66.9 | 161.6 | 176.7 | 0 | 0 | 113.9 | K33 V38 Q39 | K33-E35 PolarHBondContact O-N 3.37Å; K33-E35 VanDerWaalsContact O-N 3.13Å; E35-V38 WeakPolarHBondContact O-CB 3.03Å; E35-V38 PolarHBondContact O-N 2.95Å; E35-Q39 WeakPolarHBondContact O-CG 3.3Å; E35-Q39 PolarHBondContact O-N 2.89Å |
| 36 | V | 94.3 | Very high | 89.6 | Confident | 47 Ų | 47 | 71 Ų | 71 | 29% | 0.285 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -67.3 | -42.1 | 179.1 | -173.8 | 0 | 0 | 0 | 0 | 110.4 | P28 Q32 K33 K34 Q39 L40 | P28-V36 HydrophobicContact CG-CG1 4.11Å; Q32-V36 HydrophobicContact CB-CB 4.48Å; Q32-V36 HydrophobicContact CB-CG2 4.33Å; K33-V36 PolarHBondContact O-N 3.28Å; K34-V36 PolarHBondContact O-N 2.9Å; V36-Q39 PolarHBondContact O-N 3.29Å; V36-L40 WeakPolarHBondContact O-CB 3.43Å; V36-L40 PolarHBondContact O-N 3.28Å |
| 37 | Y | 93.9 | Very high | 89 | Confident | 4 Ų | 4 | 70 Ų | 70 | 2% | 0.016 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -70.5 | -33.1 | 175.4 | -53.4 | -81.8 | 0 | 0 | 0 | 111.8 | K13 K17 L20 L27 P28 G30 Q32 K33 K34 L40 Y41 | K13-Y37 HydrophobicContact CD-CE2 4.47Å; K13-Y37 HydrophobicContact CG-CD2 4.16Å; K13-Y37 HydrophobicContact CG-CE2 4.3Å; K17-Y37 HydrophobicContact CG-CD1 3.94Å; K17-Y37 HydrophobicContact CG-CE1 3.85Å; K17-Y37 HydrophobicContact CG-CG 4.45Å; L20-Y37 HydrophobicContact CD1-CD1 4.15Å; L27-Y37 HydrophobicContact CD2-CD1 4.17Å; L27-Y37 HydrophobicContact CD2-CE1 4.17Å; P28-Y37 HydrophobicContact CG-CE1 4.18Å; G30-Y37 PolarHBondContact O-OH 2.84Å; Q32-Y37 HydrophobicContact CB-CE2 4.05Å; Q32-Y37 PolarHBondContact N-OH 3.25Å; Q32-Y37 VanDerWaalsContact N-OH 3.15Å; K33-Y37 WeakPolarHBondContact O-CD2 3.4Å; K34-Y37 PolarHBondContact O-N 3.18Å; Y37-L40 PolarHBondContact O-N 3.34Å; Y37-Y41 WeakPolarHBondContact O-CB 3.07Å; Y37-Y41 PolarHBondContact O-N 3.15Å |
| 38 | V | 94.8 | Very high | 88.3 | Confident | 23 Ų | 23 | 70 Ų | 70 | 14% | 0.139 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -62 | -48.3 | 171.1 | 175.1 | 0 | 0 | 0 | 0 | 110.8 | P8 L16 K34 E35 L40 Y41 L42 | P8-V38 HydrophobicContact CB-CG1 4.45Å; P8-V38 HydrophobicContact CG-CG1 4.06Å; L16-V38 HydrophobicContact CD1-CG2 3.48Å; L16-V38 VanDerWaalsContact CD1-CG2 3.48Å; K34-V38 HydrophobicContact CG-CG2 3.96Å; K34-V38 WeakPolarHBondContact O-CG2 3.48Å; K34-V38 PolarHBondContact O-N 2.95Å; E35-V38 WeakPolarHBondContact O-CB 3.03Å; E35-V38 PolarHBondContact O-N 2.95Å; V38-L40 VanDerWaalsContact C-N 3.34Å; V38-L40 PolarHBondContact O-N 2.92Å; V38-Y41 WeakPolarHBondContact O-CB 3.41Å; V38-Y41 PolarHBondContact O-N 3.16Å; V38-L42 HydrophobicContact CG1-CD1 4.35Å; V38-L42 WeakPolarHBondContact O-CG 3.48Å; V38-L42 PolarHBondContact O-N 3.36Å |
| 39 | Q | 93.5 | Very high | 87.5 | Confident | 134 Ų | 134 | 69.7 Ų | 69.7 | 63% | 0.626 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -62.9 | -39.6 | 176.6 | -72.5 | 175.9 | 10 | 0 | 0 | 112 | E35 V36 L42 K43 | E35-Q39 WeakPolarHBondContact O-CG 3.3Å; E35-Q39 PolarHBondContact O-N 2.89Å; V36-Q39 PolarHBondContact O-N 3.29Å; Q39-L42 PolarHBondContact O-N 3.47Å; Q39-K43 WeakPolarHBondContact O-CB 3.45Å; Q39-K43 PolarHBondContact O-N 3.32Å |
| 40 | L | 93.9 | Very high | 86.9 | Confident | 40 Ų | 40 | 70.3 Ų | 70.3 | 21% | 0.209 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -70.3 | -32.1 | 178.9 | -161 | 64.4 | 0 | 0 | 0 | 112.1 | L20 V25 V36 Y37 V38 N44 | L20-L40 HydrophobicContact CD1-CB 4.15Å; L20-L40 HydrophobicContact CD1-CD2 4.17Å; L20-L40 HydrophobicContact CD1-CG 4.4Å; L20-L40 HydrophobicContact CD2-CB 4.22Å; L20-L40 HydrophobicContact CD2-CD2 4.33Å; L20-L40 HydrophobicContact CD2-CG 4Å; V25-L40 HydrophobicContact CG1-CD1 4.25Å; V25-L40 HydrophobicContact CG1-CD2 3.92Å; V25-L40 HydrophobicContact CG1-CG 3.87Å; V36-L40 WeakPolarHBondContact O-CB 3.43Å; V36-L40 PolarHBondContact O-N 3.28Å; Y37-L40 PolarHBondContact O-N 3.34Å; V38-L40 VanDerWaalsContact C-N 3.34Å; V38-L40 PolarHBondContact O-N 2.92Å; L40-N44 WeakPolarHBondContact CD1-ND2 3.44Å; L40-N44 PolarHBondContact O-N 2.92Å; L40-N44 PolarHBondContact O-ND2 3.01Å |
| 41 | Y | 93.1 | Very high | 86 | Confident | 4 Ų | 4 | 75.4 Ų | 75.4 | 2% | 0.016 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -63.7 | -53 | 170.4 | -168.6 | -67.6 | 0 | 0 | 0 | 110.4 | F4 L5 P8 L11 L16 E19 Y37 V38 K43 N44 L45 | F4-Y41 HydrophobicContact CB-CE1 4.13Å; L5-Y41 PolarHBondContact N-OH 3.42Å; L5-Y41 VanDerWaalsContact N-OH 3.15Å; L5-Y41 WeakPolarHBondContact O-CE1 3.32Å; P8-Y41 HydrophobicContact CB-CD1 3.58Å; P8-Y41 HydrophobicContact CB-CD2 4.17Å; P8-Y41 HydrophobicContact CB-CE1 4Å; P8-Y41 HydrophobicContact CB-CG 3.69Å; P8-Y41 HydrophobicContact CG-CD1 3.66Å; P8-Y41 HydrophobicContact CG-CE1 4.28Å; P8-Y41 HydrophobicContact CG-CG 4.07Å; L11-Y41 HydrophobicContact CD1-CD2 4.32Å; L11-Y41 HydrophobicContact CD1-CE2 3.67Å; L16-Y41 HydrophobicContact CD2-CD2 3.5Å; L16-Y41 HydrophobicContact CD2-CE2 4.17Å; L16-Y41 HydrophobicContact CD2-CG 4.02Å; E19-Y41 HydrophobicContact CB-CD2 4.35Å; E19-Y41 HydrophobicContact CB-CE2 3.91Å; E19-Y41 HydrophobicContact CG-CD2 4.49Å; E19-Y41 HydrophobicContact CG-CE2 3.73Å; Y37-Y41 WeakPolarHBondContact O-CB 3.07Å; Y37-Y41 PolarHBondContact O-N 3.15Å; V38-Y41 WeakPolarHBondContact O-CB 3.41Å; V38-Y41 PolarHBondContact O-N 3.16Å; Y41-K43 PolarHBondContact O-N 3.26Å; Y41-N44 PolarHBondContact O-N 3.46Å; Y41-L45 HydrophobicContact CD1-CB 4.11Å; Y41-L45 HydrophobicContact CD1-CD1 4.16Å; Y41-L45 HydrophobicContact CD2-CD1 3.63Å; Y41-L45 HydrophobicContact CE1-CB 4.13Å; Y41-L45 HydrophobicContact CE1-CD1 4.22Å; Y41-L45 HydrophobicContact CE2-CD1 3.72Å; Y41-L45 HydrophobicContact CG-CD1 3.86Å; Y41-L45 HydrophobicContact CG-CG 4.49Å; Y41-L45 WeakPolarHBondContact O-CB 3.4Å; Y41-L45 PolarHBondContact O-N 3.31Å |
| 42 | L | 92.8 | Very high | 84.9 | Confident | 72 Ų | 72 | 73.4 Ų | 73.4 | 38% | 0.377 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -59.6 | -31.5 | 176.7 | -71.2 | 175.2 | 0 | 0 | 0 | 113.3 | E6 P8 V38 Q39 T46 | E6-L42 WeakPolarHBondContact O-CD2 3.33Å; P8-L42 HydrophobicContact CG-CD1 4.39Å; P8-L42 HydrophobicContact CG-CD2 3.6Å; P8-L42 HydrophobicContact CG-CG 3.62Å; V38-L42 HydrophobicContact CG1-CD1 4.35Å; V38-L42 WeakPolarHBondContact O-CG 3.48Å; V38-L42 PolarHBondContact O-N 3.36Å; Q39-L42 PolarHBondContact O-N 3.47Å; L42-T46 HydrophobicContact CD2-CG2 3.93Å; L42-T46 PolarHBondContact O-OG1 3.07Å |
| 43 | K | 90.8 | Very high | 82.8 | Confident | 149 Ų | 149 | 74.1 Ų | 74.1 | 65% | 0.648 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -76.2 | -32.2 | 179.8 | -173.6 | 173.3 | 179.4 | -178.6 | 0 | 113.4 | Q39 Y41 I47 | Q39-K43 WeakPolarHBondContact O-CB 3.45Å; Q39-K43 PolarHBondContact O-N 3.32Å; Y41-K43 PolarHBondContact O-N 3.26Å; K43-I47 WeakPolarHBondContact O-CD1 3.35Å |
| 44 | N | 87.9 | Confident | 80.6 | Confident | 53 Ų | 53 | 71.7 Ų | 71.7 | 28% | 0.283 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -115.4 | -25 | -168 | -61.4 | -72.7 | 0 | 0 | 0 | 114.5 | V25 L40 Y41 Q48 | V25-N44 HydrophobicContact CG1-CB 4.45Å; V25-N44 HydrophobicContact CG2-CB 3.87Å; L40-N44 WeakPolarHBondContact CD1-ND2 3.44Å; L40-N44 PolarHBondContact O-N 2.92Å; L40-N44 PolarHBondContact O-ND2 3.01Å; Y41-N44 PolarHBondContact O-N 3.46Å; N44-Q48 PolarHBondContact O-NE2 3.05Å |
| 45 | L | 86.4 | Confident | 78.2 | Confident | 0 Ų | 0 | 73.6 Ų | 73.6 | 0% | 0 | 39% | 0.385 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.7 | -43.4 | -169.1 | -54.4 | -173.6 | 0 | 0 | 0 | 113 | F4 E19 L20 H23 V25 Y41 I47 Q48 N49 | F4-L45 HydrophobicContact CB-CB 4.23Å; F4-L45 HydrophobicContact CD1-CB 3.85Å; F4-L45 HydrophobicContact CD1-CD1 4.06Å; F4-L45 HydrophobicContact CD1-CG 4.42Å; F4-L45 HydrophobicContact CD2-CB 3.99Å; F4-L45 WeakPolarHBondContact CD2-O 3.45Å; F4-L45 HydrophobicContact CE1-CB 4.13Å; F4-L45 HydrophobicContact CE1-CD1 4.02Å; F4-L45 HydrophobicContact CE1-CD2 4.17Å; F4-L45 HydrophobicContact CE1-CG 4.33Å; F4-L45 HydrophobicContact CE2-CB 4.25Å; F4-L45 HydrophobicContact CG-CB 3.76Å; F4-L45 HydrophobicContact CZ-CB 4.3Å; F4-L45 HydrophobicContact CZ-CD2 4.06Å; E19-L45 HydrophobicContact CB-CD1 4.34Å; E19-L45 HydrophobicContact CG-CD1 3.76Å; L20-L45 HydrophobicContact CD2-CD1 4.47Å; H23-L45 HydrophobicContact CB-CD2 3.56Å; V25-L45 HydrophobicContact CG2-CD2 4.46Å; Y41-L45 HydrophobicContact CD1-CB 4.11Å; Y41-L45 HydrophobicContact CD1-CD1 4.16Å; Y41-L45 HydrophobicContact CD2-CD1 3.63Å; Y41-L45 HydrophobicContact CE1-CB 4.13Å; Y41-L45 HydrophobicContact CE1-CD1 4.22Å; Y41-L45 HydrophobicContact CE2-CD1 3.72Å; Y41-L45 HydrophobicContact CG-CD1 3.86Å; Y41-L45 HydrophobicContact CG-CG 4.49Å; Y41-L45 WeakPolarHBondContact O-CB 3.4Å; Y41-L45 PolarHBondContact O-N 3.31Å; L45-I47 VanDerWaalsContact C-N 3.25Å; L45-I47 PolarHBondContact O-N 2.99Å; L45-Q48 WeakPolarHBondContact O-CA 3.46Å; L45-Q48 VanDerWaalsContact O-CB 3.3Å; L45-Q48 WeakPolarHBondContact O-CB 3.05Å; L45-Q48 PolarHBondContact O-N 3.43Å; L45-N49 PolarHBondContact O-N 3.13Å |
| 46 | T | 81.6 | Confident | 76 | Confident | 28 Ų | 28 | 75.4 Ų | 75.4 | 17% | 0.172 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -63.6 | -31.7 | 176 | 58.2 | 0 | 0 | 0 | 0 | 112.3 | L42 Q48 N49 N50 | L42-T46 HydrophobicContact CD2-CG2 3.93Å; L42-T46 PolarHBondContact O-OG1 3.07Å; T46-Q48 PolarHBondContact O-N 3.2Å; T46-N49 VanDerWaalsContact O-CB 3.32Å; T46-N49 WeakPolarHBondContact O-CB 3.5Å; T46-N49 PolarHBondContact O-N 3.09Å; T46-N50 PolarHBondContact O-N 2.65Å |
| 47 | I | 76.4 | Confident | 74 | Confident | 91 Ų | 91 | 80.8 Ų | 80.8 | 47% | 0.467 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -57.4 | -29.7 | 170.1 | -59.9 | -171.7 | 0 | 0 | 0 | 112 | K43 L45 K51 | K43-I47 WeakPolarHBondContact O-CD1 3.35Å; L45-I47 VanDerWaalsContact C-N 3.25Å; L45-I47 PolarHBondContact O-N 2.99Å; I47-K51 WeakPolarHBondContact O-CG 3.41Å |
| 48 | Q | 72.3 | Confident | 71.9 | Confident | 65 Ų | 65 | 86.2 Ų | 86.2 | 30% | 0.304 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -82.5 | -16.4 | 175.5 | -60 | 176.5 | 46.3 | 0 | 0 | 113 | F4 N44 L45 T46 K52 | F4-Q48 HydrophobicContact CD2-CB 4.18Å; F4-Q48 HydrophobicContact CE2-CB 3.74Å; F4-Q48 HydrophobicContact CE2-CG 4.48Å; N44-Q48 PolarHBondContact O-NE2 3.05Å; L45-Q48 WeakPolarHBondContact O-CA 3.46Å; L45-Q48 VanDerWaalsContact O-CB 3.3Å; L45-Q48 WeakPolarHBondContact O-CB 3.05Å; L45-Q48 PolarHBondContact O-N 3.43Å; T46-Q48 PolarHBondContact O-N 3.2Å; Q48-K52 WeakPolarHBondContact O-CG 3.13Å |
| 49 | N | 72.3 | Confident | 69.2 | Low | 32 Ų | 32 | 94.4 Ų | 94.4 | 17% | 0.171 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -70.5 | -47.9 | 172.3 | -145.6 | 36.7 | 0 | 0 | 0 | 109.9 | L45 T46 K51 K52 | L45-N49 PolarHBondContact O-N 3.13Å; T46-N49 VanDerWaalsContact O-CB 3.32Å; T46-N49 WeakPolarHBondContact O-CB 3.5Å; T46-N49 PolarHBondContact O-N 3.09Å; N49-K51 PolarHBondContact O-N 2.87Å; N49-K52 PolarHBondContact O-N 3.48Å |
| 50 | N | 66.5 | Low | 67.8 | Low | 125 Ų | 125 | 94.1 Ų | 94.1 | 67% | 0.668 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -10.1 | 176.2 | -62.4 | -3.8 | 0 | 0 | 0 | 114.4 | T46 | T46-N50 PolarHBondContact O-N 2.65Š|
| 51 | K | 62.9 | Low | 66 | Low | 167 Ų | 167 | 97.2 Ų | 97.2 | 73% | 0.726 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.2 | -3.8 | 176.1 | -69 | -178.2 | 178.9 | -170.7 | 0 | 113.9 | I47 N49 | I47-K51 WeakPolarHBondContact O-CG 3.41Å; N49-K51 PolarHBondContact O-N 2.87Å |
| 52 | K | 58.9 | Low | 64.3 | Low | 73 Ų | 73 | 104.4 Ų | 104.4 | 32% | 0.317 | 57% | 0.57 | S | S | . | * | S | Bend | trans | -97.6 | -1 | -177.3 | -74.7 | 170.8 | -171.7 | 156.9 | 0 | 114.5 | A2 Q48 N49 P54 | A2-K52 PolarHBondContact O-NZ 3.4Å; Q48-K52 WeakPolarHBondContact O-CG 3.13Å; N49-K52 PolarHBondContact O-N 3.48Å; K52-P54 WeakPolarHBondContact O-CD 3.26Å |
| 53 | S | 44.9 | Very low | 62.2 | Low | 89 Ų | 89 | 108.8 Ų | 108.8 | 62% | 0.622 | 59% | 0.588 | S | S | * | * | trans | -102.6 | 79.3 | 171 | 56.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 54 | P | 48.5 | Very low | 60 | Low | 105 Ų | 105 | 110.8 Ų | 110.8 | 68% | 0.682 | 60% | 0.6 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 134.2 | 165.9 | 30.3 | -33 | 0 | 0 | 0 | 108.5 | K52 | K52-P54 WeakPolarHBondContact O-CD 3.26Š|
| 55 | P | 44.7 | Very low | 58.1 | Low | 121 Ų | 121 | 115.8 Ų | 115.8 | 79% | 0.786 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 139.9 | 153.1 | 29.5 | -31.8 | 0 | 0 | 0 | 107.8 | ||
| 56 | L | 46.6 | Very low | 56.4 | Low | 162 Ų | 162 | 121.3 Ų | 121.3 | 85% | 0.848 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 141.2 | 174.7 | -171.3 | 69.3 | 0 | 0 | 0 | 109.4 | T58 | L56-T58 PolarHBondContact O-N 3.43Š|
| 57 | D | 50.5 | Low | 54.4 | Low | 159 Ų | 159 | 126 Ų | 126 | 85% | 0.85 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -47.6 | 121.5 | -173.9 | -84.2 | -66.4 | 0 | 0 | 0 | 113.8 | ||
| 58 | T | 50.8 | Low | 53.2 | Low | 119 Ų | 119 | 127.2 Ų | 127.2 | 73% | 0.73 | 70% | 0.704 | S | S | * | * | trans | -155.2 | 103.1 | 154.5 | -11.1 | 0 | 0 | 0 | 0 | 110.1 | L56 | L56-T58 PolarHBondContact O-N 3.43Š| ||
| 59 | F | 38.1 | Very low | 51.7 | Low | 195 Ų | 195 | 130.4 Ų | 130.4 | 86% | 0.855 | 73% | 0.728 | S | S | * | * | trans | 62.2 | 103.2 | 171.9 | -63.5 | -80.4 | 0 | 0 | 0 | 118.8 | S61 | F59-S61 PolarHBondContact O-N 2.83Š| ||
| 60 | S | 63.9 | Low | 50.2 | Low | 127 Ų | 127 | 134.3 Ų | 134.3 | 89% | 0.888 | 75% | 0.753 | S | S | * | * | trans | -73.8 | 107.3 | 148.5 | 156.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 61 | S | 55.6 | Low | 49.2 | Very low | 106 Ų | 106 | 133.4 Ų | 133.4 | 74% | 0.741 | 76% | 0.756 | S | S | * | * | trans | -160.9 | 108.7 | 157.4 | -153.6 | 0 | 0 | 0 | 0 | 112.7 | F59 | F59-S61 PolarHBondContact O-N 2.83Š| ||
| 62 | D | 57.2 | Low | 48.5 | Very low | 154 Ų | 154 | 132.5 Ų | 132.5 | 82% | 0.824 | 76% | 0.759 | S | S | * | * | trans | 51.5 | 162.7 | 154.4 | -121.3 | -25.5 | 0 | 0 | 0 | 123.8 | ||||
| 63 | E | 50 | Low | 47.9 | Very low | 164 Ų | 164 | 138.2 Ų | 138.2 | 77% | 0.766 | 78% | 0.779 | S | S | * | * | trans | 67.7 | 113.7 | 165.6 | -145.9 | 101.4 | 130.5 | 0 | 0 | 120.9 | ||||
| 64 | E | 43.4 | Very low | 48.1 | Very low | 191 Ų | 191 | 139.7 Ų | 139.7 | 89% | 0.893 | 79% | 0.789 | S | S | * | * | trans | 71.5 | 167.4 | 150.2 | -99.4 | -163.7 | 152.4 | 0 | 0 | 124.6 | ||||
| 65 | L | 48.4 | Very low | 48.5 | Very low | 159 Ų | 159 | 144.1 Ų | 144.1 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | trans | -112.3 | 156.5 | -156.8 | -78 | 170 | 0 | 0 | 0 | 113.7 | ||||
| 66 | P | 50.5 | Low | 48.4 | Very low | 115 Ų | 115 | 143.6 Ų | 143.6 | 75% | 0.747 | 79% | 0.791 | S | S | * | * | trans | -85.5 | 146.5 | -159.7 | 32.5 | -37.1 | 0 | 0 | 0 | 115.3 | ||||
| 67 | T | 41.1 | Very low | 48.4 | Very low | 126 Ų | 126 | 139.4 Ų | 139.4 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | trans | -111.8 | 122.1 | 156.9 | 55.6 | 0 | 0 | 0 | 0 | 110.2 | V69 | T67-V69 PolarHBondContact O-N 2.76Š| ||
| 68 | P | 49.3 | Very low | 48.8 | Very low | 117 Ų | 117 | 142.6 Ų | 142.6 | 76% | 0.76 | 79% | 0.787 | S | S | * | * | trans | -80.5 | 105.6 | -176.6 | 29.8 | -33.3 | 0 | 0 | 0 | 111.7 | V70 | P68-V70 PolarHBondContact O-N 3.38Å; P68-V70 VanDerWaalsContact O-N 3.16Å | ||
| 69 | V | 41.5 | Very low | 48.7 | Very low | 132 Ų | 132 | 147.2 Ų | 147.2 | 80% | 0.8 | 80% | 0.797 | S | S | * | * | trans | -69.4 | 106 | 169.2 | 177.4 | 0 | 0 | 0 | 0 | 109.5 | T67 S71 | T67-V69 PolarHBondContact O-N 2.76Å; V69-S71 PolarHBondContact O-N 3.24Å | ||
| 70 | V | 41.9 | Very low | 49.5 | Very low | 115 Ų | 115 | 142.2 Ų | 142.2 | 70% | 0.697 | 79% | 0.791 | S | S | * | * | trans | -78.2 | 91 | 179.2 | -175.8 | 0 | 0 | 0 | 0 | 110.2 | P68 N72 | P68-V70 PolarHBondContact O-N 3.38Å; P68-V70 VanDerWaalsContact O-N 3.16Å; V70-N72 PolarHBondContact O-N 3.3Å; V70-N72 VanDerWaalsContact O-N 3.12Å | ||
| 71 | S | 43.8 | Very low | 49 | Very low | 105 Ų | 105 | 142.8 Ų | 142.8 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | trans | -75.6 | 94.3 | 170.4 | 60.9 | 0 | 0 | 0 | 0 | 110.8 | V69 R73 | V69-S71 PolarHBondContact O-N 3.24Å; S71-R73 PolarHBondContact O-N 2.96Å | ||
| 72 | N | 49.3 | Very low | 48.8 | Very low | 149 Ų | 149 | 146.6 Ų | 146.6 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | trans | -62.6 | 93.1 | 173.8 | -83.2 | -6.9 | 0 | 0 | 0 | 111.2 | V70 | V70-N72 PolarHBondContact O-N 3.3Å; V70-N72 VanDerWaalsContact O-N 3.12Å | ||
| 73 | R | 45.1 | Very low | 48.2 | Very low | 193 Ų | 193 | 147.9 Ų | 147.9 | 73% | 0.728 | 79% | 0.791 | S | S | * | * | trans | -104.6 | 84.8 | 171.8 | -165.9 | 153.3 | -148.1 | 166.3 | 10.7 | 112.5 | S71 R75 | S71-R73 PolarHBondContact O-N 2.96Å; R73-R75 PolarHBondContact O-N 3.13Å; R73-R75 VanDerWaalsContact O-N 3.09Å | ||
| 74 | S | 50.5 | Low | 48.3 | Very low | 119 Ų | 119 | 146.5 Ų | 146.5 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | trans | -61.6 | 103.3 | 168.9 | 38.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 75 | R | 57.3 | Low | 48.3 | Very low | 198 Ų | 198 | 144.5 Ų | 144.5 | 75% | 0.747 | 79% | 0.789 | S | S | * | * | trans | -136.2 | 64.1 | 167.2 | -81.4 | -168.5 | 165.7 | 172.6 | -5.2 | 112 | R73 G77 | R73-R75 PolarHBondContact O-N 3.13Å; R73-R75 VanDerWaalsContact O-N 3.09Å; R75-G77 VanDerWaalsContact C-N 3.27Å; R75-G77 PolarHBondContact O-N 3.37Å | ||
| 76 | S | 41.6 | Very low | 48.8 | Very low | 111 Ų | 111 | 145.8 Ų | 145.8 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | trans | -75.5 | 76 | 169.7 | -172.2 | 0 | 0 | 0 | 0 | 111 | R78 | S76-R78 PolarHBondContact O-N 2.82Å; S76-R78 VanDerWaalsContact O-N 3.15Å | ||
| 77 | G | 47 | Very low | 48.8 | Very low | 73 Ų | 73 | 145.4 Ų | 145.4 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | trans | -81.3 | 76.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | R75 K79 | R75-G77 VanDerWaalsContact C-N 3.27Å; R75-G77 PolarHBondContact O-N 3.37Å; G77-K79 PolarHBondContact O-N 3.22Å | ||
| 78 | R | 58.5 | Low | 49.4 | Very low | 227 Ų | 227 | 145.9 Ų | 145.9 | 86% | 0.857 | 77% | 0.774 | S | S | * | * | trans | -67 | 114.8 | 178.6 | -81.5 | -172.1 | 169.8 | -167.4 | -1.6 | 112.4 | S76 | S76-R78 PolarHBondContact O-N 2.82Å; S76-R78 VanDerWaalsContact O-N 3.15Å | ||
| 79 | K | 48.9 | Very low | 49.5 | Very low | 216 Ų | 216 | 144.7 Ų | 144.7 | 94% | 0.939 | 76% | 0.764 | S | S | * | * | trans | -105.1 | 102.4 | 154 | -77.9 | -82.8 | -172.9 | 172.9 | 0 | 108.1 | G77 | G77-K79 PolarHBondContact O-N 3.22Š| ||
| 80 | A | 54.3 | Low | 50.2 | Low | 89 Ų | 89 | 141.9 Ų | 141.9 | 74% | 0.736 | 74% | 0.743 | S | S | * | * | trans | -139 | 146.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 81 | T | 53.3 | Low | 50.9 | Low | 139 Ų | 139 | 139.8 Ų | 139.8 | 85% | 0.853 | 73% | 0.725 | S | S | * | * | trans | -103.7 | 123.6 | -160.1 | 49 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 82 | K | 52.8 | Low | 51.4 | Low | 186 Ų | 186 | 138.8 Ų | 138.8 | 81% | 0.809 | 71% | 0.714 | S | S | * | * | trans | 63.5 | 102.3 | 131.8 | -168.8 | 176 | 178.8 | -176.9 | 0 | 118.3 | ||||
| 83 | K | 44 | Very low | 51.9 | Low | 182 Ų | 182 | 137.8 Ų | 137.8 | 79% | 0.791 | 71% | 0.705 | S | S | * | * | trans | 98.4 | 126.3 | 149.1 | -66.2 | -83.2 | 180 | 176.2 | 0 | 118.7 | ||||
| 84 | T | 52.4 | Low | 52.8 | Low | 134 Ų | 134 | 129 Ų | 129 | 82% | 0.822 | 67% | 0.673 | S | S | * | * | trans | 60.6 | 77.8 | 153.5 | -42.2 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 85 | D | 43.4 | Very low | 53.9 | Low | 149 Ų | 149 | 126.8 Ų | 126.8 | 80% | 0.797 | 65% | 0.654 | S | S | * | * | -149.3 | 166.6 | 107.5 | -161.7 | 4.7 | 0 | 0 | 0 | 109.2 | P87 | D85-P87 WeakPolarHBondContact O-CD 3.49Š| |||
| 86 | K | 57.8 | Low | 55 | Low | 187 Ų | 187 | 125 Ų | 125 | 81% | 0.813 | 65% | 0.654 | S | S | * | * | trans | -114.4 | 85 | 174.2 | -176.5 | 155.4 | 175 | -177.7 | 0 | 109.8 | R88 | K86-R88 PolarHBondContact O-N 3.2Š| ||
| 87 | P | 50.9 | Low | 56.8 | Low | 107 Ų | 107 | 121.3 Ų | 121.3 | 70% | 0.695 | 63% | 0.626 | S | S | * | * | trans | -67.5 | 124.4 | -175.4 | 27.4 | -34.3 | 0 | 0 | 0 | 111.1 | D85 T89 | D85-P87 WeakPolarHBondContact O-CD 3.49Å; P87-T89 PolarHBondContact O-N 3.25Å; P87-T89 VanDerWaalsContact O-N 3.09Å | ||
| 88 | R | 53 | Low | 58.7 | Low | 136 Ų | 136 | 121.5 Ų | 121.5 | 51% | 0.513 | 61% | 0.613 | S | S | . | * | trans | -43.5 | 106.8 | 174.9 | -72 | 140.9 | 134.9 | -148.9 | -10.9 | 112.6 | K86 E91 Q129 | K86-R88 PolarHBondContact O-N 3.2Å; R88-E91 HydrophobicContact CB-CB 4.17Å; R88-E91 HydrophobicContact CB-CG 4.02Å; R88-E91 WeakPolarHBondContact CD-OE2 3.16Å; R88-E91 HydrophobicContact CG-CG 4.38Å; R88-E91 VanDerWaalsContact CZ-CD 3.41Å; R88-E91 IonicContact CZ-OE1 2.81Å; R88-E91 IonicContact CZ-OE2 2.75Å; R88-E91 IonicContact NE-OE1 2.87Å; R88-E91 IonicContact NE-OE2 3.13Å; R88-E91 IonicContact NH1-OE1 3.55Å; R88-E91 PolarHBondContact NH1-OE1 2.9Å; R88-E91 IonicContact NH1-OE2 2.94Å; R88-E91 PolarHBondContact NH1-OE2 3.26Å; R88-E91 IonicContact NH2-OE1 3.25Å; R88-E91 PolarHBondContact NH2-OE1 2.88Å; R88-Q129 VanDerWaalsContact CZ-NE2 3.35Å | ||
| 89 | T | 53 | Low | 60.3 | Low | 91 Ų | 91 | 113.7 Ų | 113.7 | 56% | 0.558 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -68.6 | -41.1 | 166.8 | -34.2 | 0 | 0 | 0 | 0 | 110.3 | P87 E91 V92 | P87-T89 PolarHBondContact O-N 3.25Å; P87-T89 VanDerWaalsContact O-N 3.09Å; T89-E91 PolarHBondContact O-N 2.8Å; T89-V92 PolarHBondContact O-N 2.91Å; T89-V92 VanDerWaalsContact O-N 3.12Å |
| 90 | E | 55.9 | Low | 62.3 | Low | 74 Ų | 74 | 108.2 Ų | 108.2 | 35% | 0.346 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -70.1 | -26.1 | -169.2 | -67.8 | 156 | -121.2 | 0 | 0 | 113.8 | V92 V94 | E90-V92 PolarHBondContact O-N 2.93Å; E90-V94 WeakPolarHBondContact O-CB 3.36Å; E90-V94 VanDerWaalsContact O-CG2 3.29Å; E90-V94 WeakPolarHBondContact O-CG2 3.36Å; E90-V94 PolarHBondContact O-N 3.38Å |
| 91 | E | 55.7 | Low | 64.1 | Low | 70 Ų | 70 | 106.9 Ų | 106.9 | 33% | 0.327 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -62.3 | -30.8 | 172 | -81.4 | -163.5 | 140.6 | 0 | 0 | 112.6 | R88 T89 T95 Q129 | R88-E91 HydrophobicContact CB-CB 4.17Å; R88-E91 HydrophobicContact CB-CG 4.02Å; R88-E91 WeakPolarHBondContact CD-OE2 3.16Å; R88-E91 HydrophobicContact CG-CG 4.38Å; R88-E91 VanDerWaalsContact CZ-CD 3.41Å; R88-E91 IonicContact CZ-OE1 2.81Å; R88-E91 IonicContact CZ-OE2 2.75Å; R88-E91 IonicContact NE-OE1 2.87Å; R88-E91 IonicContact NE-OE2 3.13Å; R88-E91 IonicContact NH1-OE1 3.55Å; R88-E91 PolarHBondContact NH1-OE1 2.9Å; R88-E91 IonicContact NH1-OE2 2.94Å; R88-E91 PolarHBondContact NH1-OE2 3.26Å; R88-E91 IonicContact NH2-OE1 3.25Å; R88-E91 PolarHBondContact NH2-OE1 2.88Å; T89-E91 PolarHBondContact O-N 2.8Å; E91-T95 WeakPolarHBondContact O-CG2 3.35Å; E91-Q129 PolarHBondContact OE1-NE2 2.89Å; E91-Q129 PolarHBondContact OE1-OE1 3.42Å |
| 92 | V | 54 | Low | 65.9 | Low | 84 Ų | 84 | 100.3 Ų | 100.3 | 51% | 0.509 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -76.1 | -51.6 | -179.7 | -173.6 | 0 | 0 | 0 | 0 | 109.4 | T89 E90 V94 T95 | T89-V92 PolarHBondContact O-N 2.91Å; T89-V92 VanDerWaalsContact O-N 3.12Å; E90-V92 PolarHBondContact O-N 2.93Å; V92-V94 PolarHBondContact O-N 2.88Å; V92-T95 PolarHBondContact O-N 2.89Å; V92-T95 VanDerWaalsContact O-N 3.07Å; V92-T95 PolarHBondContact O-OG1 3.12Å |
| 93 | E | 61.2 | Low | 67.7 | Low | 128 Ų | 128 | 94.9 Ų | 94.9 | 60% | 0.598 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -61 | -41.1 | -177.9 | -64.5 | -178.4 | -173.8 | 0 | 0 | 112.1 | T95 E96 | E93-T95 VanDerWaalsContact C-N 3.27Å; E93-T95 PolarHBondContact O-N 3.42Å; E93-E96 PolarHBondContact O-N 3.09Å |
| 94 | V | 64.1 | Low | 70 | Confident | 9 Ų | 9 | 90.7 Ų | 90.7 | 6% | 0.055 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -62.2 | -31.4 | 176.2 | 168.8 | 0 | 0 | 0 | 0 | 112.5 | E90 V92 E125 L128 L132 | E90-V94 WeakPolarHBondContact O-CB 3.36Å; E90-V94 VanDerWaalsContact O-CG2 3.29Å; E90-V94 WeakPolarHBondContact O-CG2 3.36Å; E90-V94 PolarHBondContact O-N 3.38Å; V92-V94 PolarHBondContact O-N 2.88Å; V94-E125 HydrophobicContact CG1-CB 3.87Å; V94-E125 HydrophobicContact CG1-CG 4.19Å; V94-E125 WeakPolarHBondContact CG1-O 3.34Å; V94-L128 HydrophobicContact CG1-CD2 4.22Å; V94-L128 HydrophobicContact CG2-CD2 4.28Å; V94-L128 HydrophobicContact CG2-CG 4.39Å; V94-L132 HydrophobicContact CG2-CD1 4.13Å |
| 95 | T | 72.8 | Confident | 71.8 | Confident | 73 Ų | 73 | 86.9 Ų | 86.9 | 45% | 0.448 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -76.2 | -18.5 | 179.2 | 59 | 0 | 0 | 0 | 0 | 114.6 | E91 V92 E93 R121 | E91-T95 WeakPolarHBondContact O-CG2 3.35Å; V92-T95 PolarHBondContact O-N 2.89Å; V92-T95 VanDerWaalsContact O-N 3.07Å; V92-T95 PolarHBondContact O-OG1 3.12Å; E93-T95 VanDerWaalsContact C-N 3.27Å; E93-T95 PolarHBondContact O-N 3.42Å; T95-R121 PolarHBondContact O-NH2 2.75Å |
| 96 | E | 80.7 | Confident | 74.1 | Confident | 160 Ų | 160 | 79.8 Ų | 79.8 | 75% | 0.748 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -89.4 | -11.5 | -179.6 | -63.3 | -165.9 | 168.4 | 0 | 0 | 113.8 | E93 | E93-E96 PolarHBondContact O-N 3.09Å |
| 97 | L | 78.4 | Confident | 75.8 | Confident | 34 Ų | 34 | 73.1 Ų | 73.1 | 18% | 0.178 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -60.9 | 149.4 | 178.5 | -60.6 | 177.1 | 0 | 0 | 0 | 113.1 | D101 R121 L128 | L97-D101 HydrophobicContact CB-CB 4.32Å; L97-D101 HydrophobicContact CD2-CB 4.49Å; L97-R121 VanDerWaalsContact O-CZ 3.3Å; L97-R121 PolarHBondContact O-NH1 3.16Å; L97-R121 PolarHBondContact O-NH2 2.74Å; L97-L128 HydrophobicContact CD1-CD2 3.79Å |
| 98 | T | 88.3 | Confident | 77.8 | Confident | 77 Ų | 77 | 75.4 Ų | 75.4 | 47% | 0.472 | 38% | 0.379 | S | S | . | . | trans | -75.8 | 162.2 | 168.9 | 78.5 | 0 | 0 | 0 | 0 | 111.1 | E100 D101 L102 | T98-E100 PolarHBondContact O-N 3.36Å; T98-D101 VanDerWaalsContact CB-OD2 3.28Å; T98-D101 WeakPolarHBondContact CB-OD2 3.5Å; T98-D101 VanDerWaalsContact CG2-OD2 3.31Å; T98-D101 WeakPolarHBondContact CG2-OD2 3.06Å; T98-D101 PolarHBondContact N-OD2 3.37Å; T98-D101 PolarHBondContact O-N 3.32Å; T98-D101 VanDerWaalsContact O-N 3.15Å; T98-D101 PolarHBondContact OG1-N 3.49Å; T98-D101 PolarHBondContact OG1-OD2 3.3Å; T98-L102 WeakPolarHBondContact O-CB 3.29Å; T98-L102 PolarHBondContact O-N 3.38Å | ||
| 99 | D | 91.4 | Very high | 79.5 | Confident | 62 Ų | 62 | 72 Ų | 72 | 33% | 0.332 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61.4 | -32.5 | -178.7 | -64.7 | -35.4 | 0 | 0 | 0 | 112.5 | K103 I116 R121 | D99-K103 WeakPolarHBondContact O-CB 3.34Å; D99-K103 PolarHBondContact O-N 3Å; D99-I116 HydrophobicContact CB-CB 4.23Å; D99-I116 HydrophobicContact CB-CG2 4Å; D99-R121 VanDerWaalsContact OD1-CD 3.22Å; D99-R121 WeakPolarHBondContact OD1-CD 3.41Å; D99-R121 IonicContact OD1-CZ 3.82Å; D99-R121 IonicContact OD1-NE 3.38Å; D99-R121 IonicContact OD1-NH1 3.88Å; D99-R121 PolarHBondContact OD1-NH1 2.94Å |
| 100 | E | 90.9 | Very high | 81.2 | Confident | 101 Ų | 101 | 70.9 Ų | 70.9 | 47% | 0.472 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -78.6 | -32.3 | 174.7 | -70 | -63.4 | 144.7 | 0 | 0 | 112.7 | T98 K103 Q104 | T98-E100 PolarHBondContact O-N 3.36Å; E100-K103 IonicContact OE1-NZ 3.31Å; E100-K103 PolarHBondContact OE1-NZ 3.04Å; E100-K103 IonicContact OE2-NZ 2.9Å; E100-K103 PolarHBondContact OE2-NZ 3Å; E100-Q104 WeakPolarHBondContact O-CB 3.39Å; E100-Q104 VanDerWaalsContact O-CG 3.27Å; E100-Q104 WeakPolarHBondContact O-CG 3.45Å; E100-Q104 PolarHBondContact O-N 3.38Å; E100-Q104 PolarHBondContact O-NE2 2.97Å |
| 101 | D | 91 | Very high | 82.7 | Confident | 62 Ų | 62 | 68.3 Ų | 68.3 | 33% | 0.332 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -67.4 | -42.3 | 174.4 | -61.1 | -48.6 | 0 | 0 | 0 | 111.3 | L97 T98 Q104 Q105 | L97-D101 HydrophobicContact CB-CB 4.32Å; L97-D101 HydrophobicContact CD2-CB 4.49Å; T98-D101 VanDerWaalsContact CB-OD2 3.28Å; T98-D101 WeakPolarHBondContact CB-OD2 3.5Å; T98-D101 VanDerWaalsContact CG2-OD2 3.31Å; T98-D101 WeakPolarHBondContact CG2-OD2 3.06Å; T98-D101 PolarHBondContact N-OD2 3.37Å; T98-D101 PolarHBondContact O-N 3.32Å; T98-D101 VanDerWaalsContact O-N 3.15Å; T98-D101 PolarHBondContact OG1-N 3.49Å; T98-D101 PolarHBondContact OG1-OD2 3.3Å; D101-Q104 PolarHBondContact O-N 3.12Å; D101-Q105 WeakPolarHBondContact O-CG 3.46Å; D101-Q105 PolarHBondContact O-N 3.08Å |
| 102 | L | 91.4 | Very high | 84.2 | Confident | 0 Ų | 0 | 72.3 Ų | 72.3 | 0% | 0 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -58.6 | -49.6 | 176 | -160.8 | -171.8 | 0 | 0 | 0 | 110.1 | T98 Q104 Q105 L106 I116 R121 E125 L128 | T98-L102 WeakPolarHBondContact O-CB 3.29Å; T98-L102 PolarHBondContact O-N 3.38Å; L102-Q104 PolarHBondContact O-N 3.19Å; L102-Q105 PolarHBondContact O-N 2.86Å; L102-L106 HydrophobicContact CD2-CD1 3.59Å; L102-L106 HydrophobicContact CD2-CG 3.98Å; L102-L106 PolarHBondContact O-N 3.38Å; L102-I116 HydrophobicContact CB-CD1 4.39Å; L102-I116 HydrophobicContact CD1-CD1 4.31Å; L102-I116 HydrophobicContact CD2-CD1 4.25Å; L102-R121 HydrophobicContact CD1-CG 3.94Å; L102-E125 HydrophobicContact CD1-CG 3.82Å; L102-L128 HydrophobicContact CD2-CB 4.44Å; L102-L128 HydrophobicContact CD2-CD2 4.17Å; L102-L128 HydrophobicContact CG-CD2 4.38Å |
| 103 | K | 91 | Very high | 85.7 | Confident | 72 Ų | 72 | 69.3 Ų | 69.3 | 31% | 0.313 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -58.5 | -44.1 | 174.6 | 171.7 | 176.2 | 157.7 | -144.4 | 0 | 112.4 | D99 E100 L106 A107 I116 | D99-K103 WeakPolarHBondContact O-CB 3.34Å; D99-K103 PolarHBondContact O-N 3Å; E100-K103 IonicContact OE1-NZ 3.31Å; E100-K103 PolarHBondContact OE1-NZ 3.04Å; E100-K103 IonicContact OE2-NZ 2.9Å; E100-K103 PolarHBondContact OE2-NZ 3Å; K103-L106 PolarHBondContact O-N 3.05Å; K103-A107 WeakPolarHBondContact O-CB 3.33Å; K103-A107 PolarHBondContact O-N 3.3Å; K103-I116 HydrophobicContact CB-CD1 3.83Å; K103-I116 HydrophobicContact CB-CG1 4.43Å |
| 104 | Q | 91.8 | Very high | 86.9 | Confident | 94 Ų | 94 | 65.1 Ų | 65.1 | 44% | 0.439 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -63.9 | -39 | 175.6 | -77.6 | 174.9 | 58 | 0 | 0 | 112.9 | E100 D101 L102 A107 K108 | E100-Q104 WeakPolarHBondContact O-CB 3.39Å; E100-Q104 VanDerWaalsContact O-CG 3.27Å; E100-Q104 WeakPolarHBondContact O-CG 3.45Å; E100-Q104 PolarHBondContact O-N 3.38Å; E100-Q104 PolarHBondContact O-NE2 2.97Å; D101-Q104 PolarHBondContact O-N 3.12Å; L102-Q104 PolarHBondContact O-N 3.19Å; Q104-A107 PolarHBondContact O-N 2.6Å; Q104-K108 VanDerWaalsContact O-CG 3.25Å; Q104-K108 WeakPolarHBondContact O-CG 3.46Å; Q104-K108 PolarHBondContact O-N 3.07Å |
| 105 | Q | 91.2 | Very high | 88.1 | Confident | 55 Ų | 55 | 70.2 Ų | 70.2 | 26% | 0.257 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -68.7 | -42.6 | 177 | -70.2 | -176.9 | 28.6 | 0 | 0 | 111.3 | D101 L102 A107 K108 H109 L128 | D101-Q105 WeakPolarHBondContact O-CG 3.46Å; D101-Q105 PolarHBondContact O-N 3.08Å; L102-Q105 PolarHBondContact O-N 2.86Å; Q105-A107 PolarHBondContact O-N 2.91Å; Q105-K108 WeakPolarHBondContact O-CB 3.47Å; Q105-K108 PolarHBondContact O-N 3.46Å; Q105-H109 PolarHBondContact O-CD2 2.87Å; Q105-H109 PolarHBondContact O-N 3.4Å; Q105-H109 VanDerWaalsContact O-N 3.12Å; Q105-L128 HydrophobicContact CB-CD1 3.75Å; Q105-L128 HydrophobicContact CB-CD2 3.96Å |
| 106 | L | 92.4 | Very high | 88.9 | Confident | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -60.7 | -42.6 | 172.6 | -77.2 | 178.6 | 0 | 0 | 0 | 112.6 | L102 K103 K108 H109 G110 V111 T113 Y124 K127 L128 L131 | L102-L106 HydrophobicContact CD2-CD1 3.59Å; L102-L106 HydrophobicContact CD2-CG 3.98Å; L102-L106 PolarHBondContact O-N 3.38Å; K103-L106 PolarHBondContact O-N 3.05Å; L106-K108 VanDerWaalsContact C-N 3.35Å; L106-K108 PolarHBondContact O-N 3.38Å; L106-H109 CarbonylContact O-C 3.45Å; L106-H109 WeakPolarHBondContact O-CA 3.48Å; L106-H109 PolarHBondContact O-N 2.94Å; L106-H109 VanDerWaalsContact O-N 3.08Å; L106-G110 PolarHBondContact O-N 3.12Å; L106-V111 CarbonylContact C-O 3.25Å; L106-V111 VanDerWaalsContact C-O 3.25Å; L106-V111 HydrophobicContact CB-CB 4.15Å; L106-V111 HydrophobicContact CB-CG1 4.38Å; L106-V111 HydrophobicContact CD2-CB 4.29Å; L106-V111 HydrophobicContact CD2-CG1 4.37Å; L106-V111 WeakPolarHBondContact O-CA 3.41Å; L106-V111 WeakPolarHBondContact O-CB 3.44Å; L106-V111 PolarHBondContact O-N 3.23Å; L106-T113 HydrophobicContact CB-CG2 4.24Å; L106-T113 HydrophobicContact CD1-CG2 3.63Å; L106-Y124 HydrophobicContact CD1-CD1 3.87Å; L106-Y124 HydrophobicContact CD1-CG 4.07Å; L106-K127 HydrophobicContact CD2-CB 4.38Å; L106-K127 HydrophobicContact CD2-CG 4.29Å; L106-L128 HydrophobicContact CD2-CB 3.77Å; L106-L128 HydrophobicContact CD2-CD1 4.4Å; L106-L128 HydrophobicContact CG-CB 4.12Å; L106-L131 HydrophobicContact CD2-CD1 3.76Å |
| 107 | A | 92.4 | Very high | 89.5 | Confident | 46 Ų | 46 | 64 Ų | 64 | 38% | 0.38 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61.9 | -38.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | K103 Q104 Q105 H109 G110 V111 | K103-A107 WeakPolarHBondContact O-CB 3.33Å; K103-A107 PolarHBondContact O-N 3.3Å; Q104-A107 PolarHBondContact O-N 2.6Å; Q105-A107 PolarHBondContact O-N 2.91Å; A107-H109 PolarHBondContact O-N 3.39Å; A107-G110 PolarHBondContact O-N 3.12Å; A107-V111 PolarHBondContact N-O 2.76Å |
| 108 | K | 92.4 | Very high | 89.9 | Confident | 156 Ų | 156 | 66.6 Ų | 66.6 | 68% | 0.678 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -61.3 | -31.1 | 172.7 | -72.5 | 164.7 | -171.2 | 171.1 | 0 | 112.8 | Q104 Q105 L106 G110 | Q104-K108 VanDerWaalsContact O-CG 3.25Å; Q104-K108 WeakPolarHBondContact O-CG 3.46Å; Q104-K108 PolarHBondContact O-N 3.07Å; Q105-K108 WeakPolarHBondContact O-CB 3.47Å; Q105-K108 PolarHBondContact O-N 3.46Å; L106-K108 VanDerWaalsContact C-N 3.35Å; L106-K108 PolarHBondContact O-N 3.38Å; K108-G110 VanDerWaalsContact C-N 3.3Å |
| 109 | H | 89.2 | Confident | 89.9 | Confident | 64 Ų | 64 | 67.4 Ų | 67.4 | 30% | 0.296 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | 20.7 | 172.7 | -64.5 | -70.9 | 0 | 0 | 0 | 113.4 | Q105 L106 A107 V111 L131 | Q105-H109 PolarHBondContact O-CD2 2.87Å; Q105-H109 PolarHBondContact O-N 3.4Å; Q105-H109 VanDerWaalsContact O-N 3.12Å; L106-H109 CarbonylContact O-C 3.45Å; L106-H109 WeakPolarHBondContact O-CA 3.48Å; L106-H109 PolarHBondContact O-N 2.94Å; L106-H109 VanDerWaalsContact O-N 3.08Å; A107-H109 PolarHBondContact O-N 3.39Å; H109-V111 VanDerWaalsContact C-N 3.33Å; H109-V111 PolarHBondContact O-N 3.45Å; H109-L131 HydrophobicContact CB-CB 4.39Å; H109-L131 HydrophobicContact CB-CD1 3.91Å |
| 110 | G | 89.3 | Confident | 89.8 | Confident | 68 Ų | 68 | 66.8 Ų | 66.8 | 70% | 0.701 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.5 | 19.2 | 175 | 0 | 0 | 0 | 0 | 0 | 115 | L106 A107 K108 | L106-G110 PolarHBondContact O-N 3.12Å; A107-G110 PolarHBondContact O-N 3.12Å; K108-G110 VanDerWaalsContact C-N 3.3Å |
| 111 | V | 87.5 | Confident | 89.8 | Confident | 20 Ų | 20 | 64.3 Ų | 64.3 | 12% | 0.121 | 39% | 0.386 | C | S | . | . | trans | -114.5 | 92.8 | -179.3 | 179.8 | 0 | 0 | 0 | 0 | 110.5 | L106 A107 H109 T113 K127 L131 | L106-V111 CarbonylContact C-O 3.25Å; L106-V111 VanDerWaalsContact C-O 3.25Å; L106-V111 HydrophobicContact CB-CB 4.15Å; L106-V111 HydrophobicContact CB-CG1 4.38Å; L106-V111 HydrophobicContact CD2-CB 4.29Å; L106-V111 HydrophobicContact CD2-CG1 4.37Å; L106-V111 WeakPolarHBondContact O-CA 3.41Å; L106-V111 WeakPolarHBondContact O-CB 3.44Å; L106-V111 PolarHBondContact O-N 3.23Å; A107-V111 PolarHBondContact N-O 2.76Å; H109-V111 VanDerWaalsContact C-N 3.33Å; H109-V111 PolarHBondContact O-N 3.45Å; V111-T113 HydrophobicContact CG1-CG2 3.97Å; V111-T113 PolarHBondContact O-N 2.99Å; V111-K127 HydrophobicContact CG1-CD 3.98Å; V111-L131 HydrophobicContact CG2-CD1 3.86Å | ||
| 112 | D | 87.3 | Confident | 89.8 | Confident | 154 Ų | 154 | 68.4 Ų | 68.4 | 82% | 0.824 | 40% | 0.401 | S | S | * | . | trans | -66 | 122.9 | 169.5 | -71 | -42.7 | 0 | 0 | 0 | 110.5 | ||||
| 113 | T | 85.9 | Confident | 89.8 | Confident | 20 Ų | 20 | 73 Ų | 73 | 12% | 0.123 | 43% | 0.429 | C | S | . | . | trans | -116 | 139.5 | 177.8 | 55.3 | 0 | 0 | 0 | 0 | 110.8 | L106 V111 Y124 | L106-T113 HydrophobicContact CB-CG2 4.24Å; L106-T113 HydrophobicContact CD1-CG2 3.63Å; V111-T113 HydrophobicContact CG1-CG2 3.97Å; V111-T113 PolarHBondContact O-N 2.99Å; T113-Y124 HydrophobicContact CG2-CD1 3.58Å; T113-Y124 HydrophobicContact CG2-CE1 3.38Å; T113-Y124 HydrophobicContact CG2-CG 4.31Å | ||
| 114 | G | 86.6 | Confident | 89.9 | Confident | 40 Ų | 40 | 72.1 Ų | 72.1 | 41% | 0.412 | 42% | 0.424 | S | S | . | . | trans | -68.4 | -169 | 171 | 0 | 0 | 0 | 0 | 0 | 112.5 | I116 | G114-I116 PolarHBondContact O-N 3.13Å; G114-I116 VanDerWaalsContact O-N 3.1Å | ||
| 115 | P | 88.6 | Confident | 89.9 | Confident | 117 Ų | 117 | 68.8 Ų | 68.8 | 76% | 0.76 | 41% | 0.408 | S | S | * | . | trans | -57.3 | 119.5 | -179.2 | 23.9 | -33.9 | 0 | 0 | 0 | 111.4 | ||||
| 116 | I | 89.4 | Confident | 89.9 | Confident | 23 Ų | 23 | 73 Ų | 73 | 12% | 0.118 | 43% | 0.426 | C | S | . | . | trans | -76.7 | 129.4 | 175.8 | -59.9 | -163.4 | 0 | 0 | 0 | 108.6 | D99 L102 K103 G114 R121 Y124 | D99-I116 HydrophobicContact CB-CB 4.23Å; D99-I116 HydrophobicContact CB-CG2 4Å; L102-I116 HydrophobicContact CB-CD1 4.39Å; L102-I116 HydrophobicContact CD1-CD1 4.31Å; L102-I116 HydrophobicContact CD2-CD1 4.25Å; K103-I116 HydrophobicContact CB-CD1 3.83Å; K103-I116 HydrophobicContact CB-CG1 4.43Å; G114-I116 PolarHBondContact O-N 3.13Å; G114-I116 VanDerWaalsContact O-N 3.1Å; I116-R121 HydrophobicContact CG2-CB 3.88Å; I116-R121 HydrophobicContact CG2-CG 4.26Å; I116-Y124 HydrophobicContact CB-CD2 4.46Å; I116-Y124 HydrophobicContact CD1-CD2 3.71Å; I116-Y124 HydrophobicContact CD1-CE2 4.34Å; I116-Y124 HydrophobicContact CD1-CG 4.2Å; I116-Y124 HydrophobicContact CG1-CD2 3.71Å; I116-Y124 HydrophobicContact CG1-CE2 3.9Å; I116-Y124 HydrophobicContact CG2-CD2 4.28Å | ||
| 117 | V | 92.5 | Very high | 89.9 | Confident | 78 Ų | 78 | 77.7 Ų | 77.7 | 47% | 0.473 | 45% | 0.446 | S | S | . | . | trans | -131.3 | 155.1 | -178.5 | -178.5 | 0 | 0 | 0 | 0 | 107.3 | S119 T120 R121 | V117-S119 PolarHBondContact O-N 3.12Å; V117-T120 PolarHBondContact N-OG1 3.22Å; V117-T120 PolarHBondContact O-N 3.08Å; V117-T120 PolarHBondContact O-OG1 3.34Å; V117-R121 PolarHBondContact O-N 2.99Å | ||
| 118 | A | 87.9 | Confident | 89.8 | Confident | 89 Ų | 89 | 75.5 Ų | 75.5 | 74% | 0.736 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -18.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 119 | S | 87.9 | Confident | 89.7 | Confident | 95 Ų | 95 | 68.8 Ų | 68.8 | 66% | 0.664 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -36.8 | 170.8 | 48.6 | 0 | 0 | 0 | 0 | 113.9 | V117 | V117-S119 PolarHBondContact O-N 3.12Š|
| 120 | T | 89.3 | Confident | 89.7 | Confident | 48 Ų | 48 | 71.4 Ų | 71.4 | 29% | 0.294 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | -26.6 | -177 | 55 | 0 | 0 | 0 | 0 | 113.3 | V117 K122 V123 Y124 | V117-T120 PolarHBondContact N-OG1 3.22Å; V117-T120 PolarHBondContact O-N 3.08Å; V117-T120 PolarHBondContact O-OG1 3.34Å; T120-K122 VanDerWaalsContact C-N 3.29Å; T120-K122 PolarHBondContact O-N 2.81Å; T120-K122 VanDerWaalsContact O-N 3.15Å; T120-V123 WeakPolarHBondContact O-CA 3.49Å; T120-V123 WeakPolarHBondContact O-CB 3.36Å; T120-V123 PolarHBondContact O-N 3.15Å; T120-Y124 WeakPolarHBondContact O-CD2 3.28Å; T120-Y124 PolarHBondContact O-N 3.45Å |
| 121 | R | 90.7 | Very high | 89.6 | Confident | 50 Ų | 50 | 70 Ų | 70 | 19% | 0.189 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -43.2 | -50.4 | 178.5 | -175.3 | -169.7 | 163 | 105.5 | -0.5 | 112.7 | T95 L97 D99 L102 I116 V117 V123 Y124 E125 | T95-R121 PolarHBondContact O-NH2 2.75Å; L97-R121 VanDerWaalsContact O-CZ 3.3Å; L97-R121 PolarHBondContact O-NH1 3.16Å; L97-R121 PolarHBondContact O-NH2 2.74Å; D99-R121 VanDerWaalsContact OD1-CD 3.22Å; D99-R121 WeakPolarHBondContact OD1-CD 3.41Å; D99-R121 IonicContact OD1-CZ 3.82Å; D99-R121 IonicContact OD1-NE 3.38Å; D99-R121 IonicContact OD1-NH1 3.88Å; D99-R121 PolarHBondContact OD1-NH1 2.94Å; L102-R121 HydrophobicContact CD1-CG 3.94Å; I116-R121 HydrophobicContact CG2-CB 3.88Å; I116-R121 HydrophobicContact CG2-CG 4.26Å; V117-R121 PolarHBondContact O-N 2.99Å; R121-V123 VanDerWaalsContact C-N 3.26Å; R121-V123 PolarHBondContact O-N 3.42Å; R121-Y124 CarbonylContact O-C 3.12Å; R121-Y124 WeakPolarHBondContact O-CA 3.39Å; R121-Y124 PolarHBondContact O-N 3.42Å; R121-E125 HydrophobicContact CG-CG 4.3Å; R121-E125 IonicContact CZ-OE1 3.93Å; R121-E125 IonicContact NE-OE1 2.6Å; R121-E125 PolarHBondContact NE-OE1 3.23Å; R121-E125 IonicContact NH2-OE1 3.13Å; R121-E125 WeakPolarHBondContact O-CG 3.49Å; R121-E125 PolarHBondContact O-N 3.04Å |
| 122 | K | 91.6 | Very high | 89.5 | Confident | 147 Ų | 147 | 71.2 Ų | 71.2 | 64% | 0.639 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -64.8 | -21.7 | -179.5 | -65.7 | -169.4 | 173.4 | -169.9 | 0 | 115.6 | T120 E125 K126 | T120-K122 VanDerWaalsContact C-N 3.29Å; T120-K122 PolarHBondContact O-N 2.81Å; T120-K122 VanDerWaalsContact O-N 3.15Å; K122-E125 WeakPolarHBondContact CA-OE2 3.44Å; K122-K126 WeakPolarHBondContact O-CG 3.37Å |
| 123 | V | 91.9 | Very high | 89.4 | Confident | 98 Ų | 98 | 67.5 Ų | 67.5 | 59% | 0.594 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -79.5 | -39.9 | 173.4 | -174.5 | 0 | 0 | 0 | 0 | 109.3 | T120 R121 K127 | T120-V123 WeakPolarHBondContact O-CA 3.49Å; T120-V123 WeakPolarHBondContact O-CB 3.36Å; T120-V123 PolarHBondContact O-N 3.15Å; R121-V123 VanDerWaalsContact C-N 3.26Å; R121-V123 PolarHBondContact O-N 3.42Å; V123-K127 WeakPolarHBondContact O-CB 3.25Å; V123-K127 PolarHBondContact O-N 3.25Å |
| 124 | Y | 92.2 | Very high | 89 | Confident | 52 Ų | 52 | 71.6 Ų | 71.6 | 20% | 0.204 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -71.4 | -40.2 | 177.3 | -64.1 | -48.1 | 0 | 0 | 0 | 113 | L106 T113 I116 T120 R121 K126 K127 L128 | L106-Y124 HydrophobicContact CD1-CD1 3.87Å; L106-Y124 HydrophobicContact CD1-CG 4.07Å; T113-Y124 HydrophobicContact CG2-CD1 3.58Å; T113-Y124 HydrophobicContact CG2-CE1 3.38Å; T113-Y124 HydrophobicContact CG2-CG 4.31Å; I116-Y124 HydrophobicContact CB-CD2 4.46Å; I116-Y124 HydrophobicContact CD1-CD2 3.71Å; I116-Y124 HydrophobicContact CD1-CE2 4.34Å; I116-Y124 HydrophobicContact CD1-CG 4.2Å; I116-Y124 HydrophobicContact CG1-CD2 3.71Å; I116-Y124 HydrophobicContact CG1-CE2 3.9Å; I116-Y124 HydrophobicContact CG2-CD2 4.28Å; T120-Y124 WeakPolarHBondContact O-CD2 3.28Å; T120-Y124 PolarHBondContact O-N 3.45Å; R121-Y124 CarbonylContact O-C 3.12Å; R121-Y124 WeakPolarHBondContact O-CA 3.39Å; R121-Y124 PolarHBondContact O-N 3.42Å; Y124-K126 VanDerWaalsContact C-N 3.33Å; Y124-K126 PolarHBondContact O-N 2.87Å; Y124-K127 PolarHBondContact O-N 3.23Å; Y124-K127 VanDerWaalsContact O-N 3.12Å; Y124-L128 WeakPolarHBondContact O-CB 3.44Å; Y124-L128 PolarHBondContact O-N 2.94Å |
| 125 | E | 92.3 | Very high | 87.7 | Confident | 24 Ų | 24 | 74.9 Ų | 74.9 | 11% | 0.112 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -50.3 | -52.5 | 169.8 | -73.8 | 168.8 | 173.6 | 0 | 0 | 110.4 | V94 L102 R121 K122 K127 L128 Q129 | V94-E125 HydrophobicContact CG1-CB 3.87Å; V94-E125 HydrophobicContact CG1-CG 4.19Å; V94-E125 WeakPolarHBondContact CG1-O 3.34Å; L102-E125 HydrophobicContact CD1-CG 3.82Å; R121-E125 HydrophobicContact CG-CG 4.3Å; R121-E125 IonicContact CZ-OE1 3.93Å; R121-E125 IonicContact NE-OE1 2.6Å; R121-E125 PolarHBondContact NE-OE1 3.23Å; R121-E125 IonicContact NH2-OE1 3.13Å; R121-E125 WeakPolarHBondContact O-CG 3.49Å; R121-E125 PolarHBondContact O-N 3.04Å; K122-E125 WeakPolarHBondContact CA-OE2 3.44Å; E125-K127 PolarHBondContact O-N 3.22Å; E125-L128 PolarHBondContact O-N 2.88Å; E125-Q129 WeakPolarHBondContact O-CB 3.45Å; E125-Q129 PolarHBondContact O-N 3.21Å |
| 126 | K | 91.7 | Very high | 86.2 | Confident | 145 Ų | 145 | 72.5 Ų | 72.5 | 63% | 0.63 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -67.3 | -32.2 | 178.1 | -71.8 | -174.6 | 173.3 | -166.2 | 0 | 114.2 | K122 Y124 K130 | K122-K126 WeakPolarHBondContact O-CG 3.37Å; Y124-K126 VanDerWaalsContact C-N 3.33Å; Y124-K126 PolarHBondContact O-N 2.87Å; K126-K130 PolarHBondContact O-N 3Å |
| 127 | K | 91.1 | Very high | 84.4 | Confident | 98 Ų | 98 | 75.5 Ų | 75.5 | 43% | 0.426 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -69.7 | -42.1 | 176.7 | -170.2 | 173.2 | -177.1 | -175.6 | 0 | 111 | L106 V111 V123 Y124 E125 K130 L131 | L106-K127 HydrophobicContact CD2-CB 4.38Å; L106-K127 HydrophobicContact CD2-CG 4.29Å; V111-K127 HydrophobicContact CG1-CD 3.98Å; V123-K127 WeakPolarHBondContact O-CB 3.25Å; V123-K127 PolarHBondContact O-N 3.25Å; Y124-K127 PolarHBondContact O-N 3.23Å; Y124-K127 VanDerWaalsContact O-N 3.12Å; E125-K127 PolarHBondContact O-N 3.22Å; K127-K130 PolarHBondContact O-N 3.44Å; K127-L131 HydrophobicContact CG-CD1 4.38Å; K127-L131 WeakPolarHBondContact O-CD1 3.47Å; K127-L131 WeakPolarHBondContact O-CG 3.42Å; K127-L131 PolarHBondContact O-N 2.93Å |
| 128 | L | 91.3 | Very high | 82.5 | Confident | 0 Ų | 0 | 79.5 Ų | 79.5 | 0% | 0 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -61.8 | -49.2 | 174.4 | 173.3 | 58.1 | 0 | 0 | 0 | 110.3 | V94 L97 L102 Q105 L106 Y124 E125 K130 L131 L132 | V94-L128 HydrophobicContact CG1-CD2 4.22Å; V94-L128 HydrophobicContact CG2-CD2 4.28Å; V94-L128 HydrophobicContact CG2-CG 4.39Å; L97-L128 HydrophobicContact CD1-CD2 3.79Å; L102-L128 HydrophobicContact CD2-CB 4.44Å; L102-L128 HydrophobicContact CD2-CD2 4.17Å; L102-L128 HydrophobicContact CG-CD2 4.38Å; Q105-L128 HydrophobicContact CB-CD1 3.75Å; Q105-L128 HydrophobicContact CB-CD2 3.96Å; L106-L128 HydrophobicContact CD2-CB 3.77Å; L106-L128 HydrophobicContact CD2-CD1 4.4Å; L106-L128 HydrophobicContact CG-CB 4.12Å; Y124-L128 WeakPolarHBondContact O-CB 3.44Å; Y124-L128 PolarHBondContact O-N 2.94Å; E125-L128 PolarHBondContact O-N 2.88Å; L128-K130 VanDerWaalsContact C-N 3.34Å; L128-K130 PolarHBondContact O-N 3.24Å; L128-L131 PolarHBondContact O-N 3.47Å; L128-L131 VanDerWaalsContact O-N 3.08Å; L128-L132 HydrophobicContact CD1-CD1 4.36Å; L128-L132 HydrophobicContact CD1-CG 4.37Å; L128-L132 HydrophobicContact CG-CD1 4.33Å; L128-L132 WeakPolarHBondContact O-CG 3.39Å; L128-L132 PolarHBondContact O-N 2.85Å |
| 129 | Q | 89.8 | Confident | 80.5 | Confident | 14 Ų | 14 | 80 Ų | 80 | 7% | 0.065 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -54.5 | -47.1 | 174.7 | -172.9 | -162.9 | -9 | 0 | 0 | 112.3 | R88 E91 E125 L131 L132 D133 | R88-Q129 VanDerWaalsContact CZ-NE2 3.35Å; E91-Q129 PolarHBondContact OE1-NE2 2.89Å; E91-Q129 PolarHBondContact OE1-OE1 3.42Å; E125-Q129 WeakPolarHBondContact O-CB 3.45Å; E125-Q129 PolarHBondContact O-N 3.21Å; Q129-L131 VanDerWaalsContact C-N 3.26Å; Q129-L131 PolarHBondContact O-N 3.37Å; Q129-L132 PolarHBondContact O-N 3.29Å; Q129-L132 VanDerWaalsContact O-N 3.12Å; Q129-D133 PolarHBondContact NE2-OD2 3.33Å; Q129-D133 PolarHBondContact O-N 3.02Å |
| 130 | K | 88.3 | Confident | 78.2 | Confident | 119 Ų | 119 | 80.6 Ų | 80.6 | 52% | 0.517 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -58.2 | -40.3 | 177.7 | -174.2 | -176 | 177.9 | -75.8 | 0 | 111.7 | K126 K127 L128 L132 D133 E134 | K126-K130 PolarHBondContact O-N 3Å; K127-K130 PolarHBondContact O-N 3.44Å; L128-K130 VanDerWaalsContact C-N 3.34Å; L128-K130 PolarHBondContact O-N 3.24Å; K130-L132 VanDerWaalsContact C-N 3.32Å; K130-D133 PolarHBondContact O-N 3.07Å; K130-E134 IonicContact NZ-OE1 2.72Å; K130-E134 PolarHBondContact NZ-OE1 3.37Å; K130-E134 VanDerWaalsContact NZ-OE1 3.13Å; K130-E134 IonicContact NZ-OE2 3.82Å; K130-E134 PolarHBondContact NZ-OE2 3.2Å; K130-E134 WeakPolarHBondContact O-CB 3.37Å; K130-E134 PolarHBondContact O-N 3.5Å |
| 131 | L | 87.6 | Confident | 76.1 | Confident | 39 Ų | 39 | 82.7 Ų | 82.7 | 20% | 0.204 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -69.3 | -30.9 | 179.7 | -65.4 | 161.1 | 0 | 0 | 0 | 112.1 | L106 H109 V111 K127 L128 Q129 H135 | L106-L131 HydrophobicContact CD2-CD1 3.76Å; H109-L131 HydrophobicContact CB-CB 4.39Å; H109-L131 HydrophobicContact CB-CD1 3.91Å; V111-L131 HydrophobicContact CG2-CD1 3.86Å; K127-L131 HydrophobicContact CG-CD1 4.38Å; K127-L131 WeakPolarHBondContact O-CD1 3.47Å; K127-L131 WeakPolarHBondContact O-CG 3.42Å; K127-L131 PolarHBondContact O-N 2.93Å; L128-L131 PolarHBondContact O-N 3.47Å; L128-L131 VanDerWaalsContact O-N 3.08Å; Q129-L131 VanDerWaalsContact C-N 3.26Å; Q129-L131 PolarHBondContact O-N 3.37Å; L131-H135 VanDerWaalsContact O-CB 3.26Å; L131-H135 WeakPolarHBondContact O-CB 3.5Å; L131-H135 PolarHBondContact O-N 3.05Å |
| 132 | L | 86.6 | Confident | 74.3 | Confident | 46 Ų | 46 | 85.7 Ų | 85.7 | 24% | 0.241 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -72 | -48 | 170.7 | -64.3 | 174.4 | 0 | 0 | 0 | 111.5 | V94 L128 Q129 K130 E134 H135 A136 | V94-L132 HydrophobicContact CG2-CD1 4.13Å; L128-L132 HydrophobicContact CD1-CD1 4.36Å; L128-L132 HydrophobicContact CD1-CG 4.37Å; L128-L132 HydrophobicContact CG-CD1 4.33Å; L128-L132 WeakPolarHBondContact O-CG 3.39Å; L128-L132 PolarHBondContact O-N 2.85Å; Q129-L132 PolarHBondContact O-N 3.29Å; Q129-L132 VanDerWaalsContact O-N 3.12Å; K130-L132 VanDerWaalsContact C-N 3.32Å; L132-E134 VanDerWaalsContact C-N 3.25Å; L132-E134 PolarHBondContact O-N 3.44Å; L132-H135 PolarHBondContact O-N 3.32Å; L132-A136 WeakPolarHBondContact O-CB 3.41Å; L132-A136 PolarHBondContact O-N 3.35Å |
| 133 | D | 84.8 | Confident | 71.6 | Confident | 76 Ų | 76 | 85.2 Ų | 85.2 | 41% | 0.406 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -56.5 | -39 | 174 | -79.3 | -48.8 | 0 | 0 | 0 | 111.4 | Q129 K130 A137 | Q129-D133 PolarHBondContact NE2-OD2 3.33Å; Q129-D133 PolarHBondContact O-N 3.02Å; K130-D133 PolarHBondContact O-N 3.07Å; D133-A137 PolarHBondContact O-N 3.03Å |
| 134 | E | 77.8 | Confident | 69.1 | Low | 105 Ų | 105 | 87.6 Ų | 87.6 | 49% | 0.491 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -76.3 | -41.7 | -178.4 | -171.9 | 163.5 | -153.9 | 0 | 0 | 112.2 | K130 L132 A137 | K130-E134 IonicContact NZ-OE1 2.72Å; K130-E134 PolarHBondContact NZ-OE1 3.37Å; K130-E134 VanDerWaalsContact NZ-OE1 3.13Å; K130-E134 IonicContact NZ-OE2 3.82Å; K130-E134 PolarHBondContact NZ-OE2 3.2Å; K130-E134 WeakPolarHBondContact O-CB 3.37Å; K130-E134 PolarHBondContact O-N 3.5Å; L132-E134 VanDerWaalsContact C-N 3.25Å; L132-E134 PolarHBondContact O-N 3.44Å; E134-A137 WeakPolarHBondContact O-CB 3.35Å; E134-A137 PolarHBondContact O-N 3.02Å |
| 135 | H | 59 | Low | 66.5 | Low | 109 Ų | 109 | 90.8 Ų | 90.8 | 51% | 0.505 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -73.2 | -27.5 | 171.8 | -166.9 | -28.7 | 0 | 0 | 0 | 112 | L131 L132 A137 E138 P139 | L131-H135 VanDerWaalsContact O-CB 3.26Å; L131-H135 WeakPolarHBondContact O-CB 3.5Å; L131-H135 PolarHBondContact O-N 3.05Å; L132-H135 PolarHBondContact O-N 3.32Å; H135-A137 PolarHBondContact O-N 2.57Å; H135-E138 PolarHBondContact ND1-O 2.75Å; H135-E138 CarbonylContact O-C 3.57Å; H135-E138 PolarHBondContact O-N 3.29Å; H135-P139 WeakPolarHBondContact O-CD 3.24Å |
| 136 | A | 56.9 | Low | 64 | Low | 68 Ų | 68 | 95.4 Ų | 95.4 | 56% | 0.562 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.2 | -18.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | L132 | L132-A136 WeakPolarHBondContact O-CB 3.41Å; L132-A136 PolarHBondContact O-N 3.35Å |
| 137 | A | 51.3 | Low | 61.3 | Low | 86 Ų | 86 | 94.9 Ų | 94.9 | 71% | 0.711 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.2 | -24.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | D133 E134 H135 | D133-A137 PolarHBondContact O-N 3.03Å; E134-A137 WeakPolarHBondContact O-CB 3.35Å; E134-A137 PolarHBondContact O-N 3.02Å; H135-A137 PolarHBondContact O-N 2.57Å |
| 138 | E | 52 | Low | 58.8 | Low | 162 Ų | 162 | 98 Ų | 98 | 76% | 0.757 | 58% | 0.583 | S | S | * | * | trans | -124.6 | 94.2 | 168.8 | -78.5 | -157.7 | 117.2 | 0 | 0 | 110.8 | H135 | H135-E138 PolarHBondContact ND1-O 2.75Å; H135-E138 CarbonylContact O-C 3.57Å; H135-E138 PolarHBondContact O-N 3.29Å | ||
| 139 | P | 46.8 | Very low | 57 | Low | 99 Ų | 99 | 103.3 Ų | 103.3 | 64% | 0.643 | 62% | 0.618 | S | S | * | * | -149.3 | 112 | 109.5 | 31.3 | -11.5 | 0 | 0 | 0 | 114.8 | H135 | H135-P139 WeakPolarHBondContact O-CD 3.24Š| |||
| 140 | A | 39.9 | Very low | 54.4 | Low | 107 Ų | 107 | 112.3 Ų | 112.3 | 88% | 0.884 | 66% | 0.657 | S | S | * | * | trans | -136.7 | 91.8 | 154.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 141 | A | 43.6 | Very low | 51.9 | Low | 92 Ų | 92 | 110.3 Ų | 110.3 | 76% | 0.76 | 66% | 0.663 | S | S | * | * | trans | -85.6 | -177.4 | -168.8 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 142 | P | 54.7 | Low | 49.4 | Very low | 113 Ų | 113 | 116.2 Ų | 116.2 | 73% | 0.734 | 69% | 0.694 | S | S | * | * | -136.2 | 152.1 | -53.4 | 35 | -20.7 | 0 | 0 | 0 | 113.6 | |||||
| 143 | T | 34.9 | Very low | 47.4 | Very low | 138 Ų | 138 | 118.7 Ų | 118.7 | 85% | 0.847 | 72% | 0.716 | S | S | * | * | trans | -169.6 | 138.9 | 149.8 | 37.6 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 144 | D | 38.1 | Very low | 45.5 | Very low | 148 Ų | 148 | 122.3 Ų | 122.3 | 79% | 0.791 | 74% | 0.735 | S | S | * | * | trans | 29.1 | 136.2 | 144.6 | -81.6 | -45 | 0 | 0 | 0 | 125 | ||||
| 145 | V | 38 | Very low | 44.1 | Very low | 119 Ų | 119 | 126.8 Ų | 126.8 | 72% | 0.721 | 76% | 0.756 | S | S | * | * | trans | 67.9 | 106.8 | 141.6 | -179.6 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 146 | T | 40.2 | Very low | 43.2 | Very low | 120 Ų | 120 | 129.4 Ų | 129.4 | 74% | 0.736 | 77% | 0.774 | S | S | * | * | trans | 40.7 | 104.9 | 136.2 | -48.3 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 147 | T | 33.8 | Very low | 42.6 | Very low | 135 Ų | 135 | 129.8 Ų | 129.8 | 83% | 0.828 | 78% | 0.784 | S | S | * | * | -174.9 | 146.4 | 120.8 | 18.7 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 148 | L | 38.6 | Very low | 42.6 | Very low | 162 Ų | 162 | 132.3 Ų | 132.3 | 85% | 0.848 | 79% | 0.786 | S | S | * | * | trans | -98.9 | 167.5 | 155.3 | -88 | 81.2 | 0 | 0 | 0 | 108.6 | ||||
| 149 | P | 54.5 | Low | 42.6 | Very low | 112 Ų | 112 | 130.3 Ų | 130.3 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | cis | -133.7 | 174.4 | -30 | 36.9 | -21.6 | 0 | 0 | 0 | 112.7 | ||||
| 150 | K | 34.8 | Very low | 42.5 | Very low | 204 Ų | 204 | 132.3 Ų | 132.3 | 89% | 0.887 | 79% | 0.79 | S | S | * | * | trans | -149.2 | 145 | 151.3 | -139 | 73.7 | 175.3 | -174.8 | 0 | 111 | ||||
| 151 | A | 35.4 | Very low | 42.9 | Very low | 77 Ų | 77 | 131.4 Ų | 131.4 | 64% | 0.636 | 78% | 0.777 | S | S | * | * | trans | -93.6 | 158.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 152 | D | 35.6 | Very low | 43.3 | Very low | 162 Ų | 162 | 133.5 Ų | 133.5 | 87% | 0.866 | 78% | 0.775 | S | S | * | * | -174.6 | 159.6 | 109.4 | -92.8 | -26.1 | 0 | 0 | 0 | 113.2 | |||||
| 153 | S | 44.4 | Very low | 43.1 | Very low | 99 Ų | 99 | 136.2 Ų | 136.2 | 69% | 0.692 | 78% | 0.778 | S | S | * | * | S | Bend | trans | 75.1 | 115.8 | 165.5 | -102.7 | 0 | 0 | 0 | 0 | 120.9 | ||
| 154 | N | 45.3 | Very low | 43.6 | Very low | 152 Ų | 152 | 140 Ų | 140 | 81% | 0.813 | 78% | 0.778 | S | S | * | * | trans | 78.6 | 56.6 | 141.1 | -49.6 | -33.1 | 0 | 0 | 0 | 120.1 | ||||
| 155 | Q | 47.5 | Very low | 44.8 | Very low | 199 Ų | 199 | 138.1 Ų | 138.1 | 93% | 0.93 | 78% | 0.777 | S | S | * | * | trans | -84.1 | 117.5 | 152.5 | -74.7 | -178.1 | -21.7 | 0 | 0 | 110.8 | ||||
| 156 | N | 41.3 | Very low | 45.7 | Very low | 164 Ų | 164 | 139 Ų | 139 | 88% | 0.877 | 78% | 0.777 | S | S | * | * | trans | -84.8 | 110.7 | 167.3 | -179.4 | 21.6 | 0 | 0 | 0 | 109 | N158 | N156-N158 PolarHBondContact O-N 3.3Š| ||
| 157 | G | 44.3 | Very low | 46 | Very low | 75 Ų | 75 | 141.9 Ų | 141.9 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | trans | -78.5 | 105.4 | -169.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 158 | N | 49.9 | Very low | 46.5 | Very low | 139 Ų | 139 | 143.7 Ų | 143.7 | 74% | 0.743 | 78% | 0.779 | S | S | * | * | trans | -155.1 | 90 | 159.7 | 178.4 | 18.9 | 0 | 0 | 0 | 111.7 | N156 | N156-N158 PolarHBondContact O-N 3.3Š| ||
| 159 | T | 52.1 | Low | 46.6 | Very low | 120 Ų | 120 | 143.6 Ų | 143.6 | 74% | 0.736 | 78% | 0.779 | S | S | * | * | trans | -150.3 | 112.1 | 154.1 | -68.5 | 0 | 0 | 0 | 0 | 107.1 | S161 | T159-S161 PolarHBondContact O-N 3.29Š| ||
| 160 | N | 46.4 | Very low | 46.2 | Very low | 142 Ų | 142 | 146.9 Ų | 146.9 | 76% | 0.759 | 79% | 0.785 | S | S | * | * | trans | -69.9 | 120.9 | 165 | -74.6 | 4.5 | 0 | 0 | 0 | 108.2 | ||||
| 161 | S | 47.7 | Very low | 46.6 | Very low | 87 Ų | 87 | 145.2 Ų | 145.2 | 61% | 0.608 | 78% | 0.78 | S | S | * | * | trans | -116.6 | 54.3 | 179.3 | 66.2 | 0 | 0 | 0 | 0 | 111.3 | T159 H163 | T159-S161 PolarHBondContact O-N 3.29Å; S161-H163 PolarHBondContact O-N 3.15Å | ||
| 162 | D | 51.7 | Low | 46.7 | Very low | 136 Ų | 136 | 148 Ų | 148 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | trans | -72.5 | 64 | 171.6 | -65.8 | -54 | 0 | 0 | 0 | 110.6 | Y164 | D162-Y164 VanDerWaalsContact C-N 3.3Å; D162-Y164 PolarHBondContact O-N 2.95Å | ||
| 163 | H | 50.5 | Low | 46.7 | Very low | 171 Ų | 171 | 146.1 Ų | 146.1 | 79% | 0.792 | 78% | 0.777 | S | S | * | * | trans | -74.2 | 84.8 | 171.1 | -80.1 | -69.6 | 0 | 0 | 0 | 109.7 | S161 S165 | S161-H163 PolarHBondContact O-N 3.15Å; H163-S165 VanDerWaalsContact C-N 3.33Å; H163-S165 PolarHBondContact O-N 2.85Å | ||
| 164 | Y | 46.3 | Very low | 46.9 | Very low | 217 Ų | 217 | 146.9 Ų | 146.9 | 85% | 0.851 | 78% | 0.779 | S | S | * | * | trans | -60.5 | 96.9 | 162.2 | -103.2 | -94.1 | 0 | 0 | 0 | 109.5 | D162 D166 | D162-Y164 VanDerWaalsContact C-N 3.3Å; D162-Y164 PolarHBondContact O-N 2.95Å; Y164-D166 PolarHBondContact O-N 3.15Å | ||
| 165 | S | 62.3 | Low | 47 | Very low | 109 Ų | 109 | 144.8 Ų | 144.8 | 76% | 0.762 | 77% | 0.774 | S | S | * | * | trans | -92.3 | 72.8 | 168.8 | 172 | 0 | 0 | 0 | 0 | 108.9 | H163 | H163-S165 VanDerWaalsContact C-N 3.33Å; H163-S165 PolarHBondContact O-N 2.85Å | ||
| 166 | D | 57.1 | Low | 46.5 | Very low | 137 Ų | 137 | 143.9 Ų | 143.9 | 73% | 0.733 | 77% | 0.77 | S | S | * | * | trans | -95.3 | 140.9 | 169.1 | -157.9 | -7.8 | 0 | 0 | 0 | 110.1 | Y164 | Y164-D166 PolarHBondContact O-N 3.15Š| ||
| 167 | K | 46.1 | Very low | 46.9 | Very low | 180 Ų | 180 | 141.6 Ų | 141.6 | 78% | 0.783 | 76% | 0.764 | S | S | * | * | trans | -166.4 | 65.7 | -152.8 | -162.7 | -157.2 | 178.5 | -168.4 | 0 | 115.6 | ||||
| 168 | E | 43.8 | Very low | 46.8 | Very low | 174 Ų | 174 | 147.1 Ų | 147.1 | 81% | 0.813 | 77% | 0.77 | S | S | * | * | trans | -158 | 138.2 | 165 | 36 | -157.1 | -147.7 | 0 | 0 | 112.8 | ||||
| 169 | D | 41.3 | Very low | 46.8 | Very low | 159 Ų | 159 | 145.8 Ų | 145.8 | 85% | 0.85 | 77% | 0.769 | S | S | * | * | trans | 24.1 | 159.7 | 142 | -49.8 | -21.1 | 0 | 0 | 0 | 121.7 | ||||
| 170 | E | 46.9 | Very low | 46.4 | Very low | 182 Ų | 182 | 146.4 Ų | 146.4 | 85% | 0.85 | 77% | 0.772 | S | S | * | * | cis | -129.5 | 143.9 | 6.3 | -65.1 | 174.3 | 129.7 | 0 | 0 | 108.9 | ||||
| 171 | E | 42.8 | Very low | 46.5 | Very low | 168 Ų | 168 | 144.9 Ų | 144.9 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | 52.1 | 106.2 | 84.3 | -157 | 165.6 | 174.9 | 0 | 0 | 118.6 | |||||
| 172 | I | 36.1 | Very low | 46.3 | Very low | 137 Ų | 137 | 146.6 Ų | 146.6 | 70% | 0.703 | 78% | 0.777 | S | S | * | * | trans | 65 | 121.3 | 152 | -66.3 | 169.7 | 0 | 0 | 0 | 120.9 | ||||
| 173 | V | 36.8 | Very low | 45.8 | Very low | 122 Ų | 122 | 145.7 Ų | 145.7 | 74% | 0.739 | 78% | 0.776 | S | S | * | * | 161.8 | 123.2 | 126.2 | 164 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 174 | P | 48.8 | Very low | 45.8 | Very low | 114 Ų | 114 | 144.1 Ų | 144.1 | 74% | 0.74 | 77% | 0.769 | S | S | * | * | trans | -96.2 | 147.9 | 150.7 | 35.5 | -29.1 | 0 | 0 | 0 | 110.4 | ||||
| 175 | P | 46.5 | Very low | 45.8 | Very low | 108 Ų | 108 | 141.2 Ų | 141.2 | 70% | 0.701 | 76% | 0.76 | S | S | * | * | -160.1 | -169.5 | 75 | 43.9 | -22.5 | 0 | 0 | 0 | 117.6 | |||||
| 176 | E | 38 | Very low | 45 | Very low | 180 Ų | 180 | 141.9 Ų | 141.9 | 84% | 0.841 | 76% | 0.762 | S | S | * | * | trans | 74.3 | 124.1 | 142.3 | -158.5 | 157.5 | -152.8 | 0 | 0 | 122.2 | ||||
| 177 | P | 48.6 | Very low | 44.2 | Very low | 117 Ų | 117 | 142.1 Ų | 142.1 | 76% | 0.76 | 77% | 0.768 | S | S | * | * | trans | -125.1 | 136.1 | 173.1 | 38.5 | -25.3 | 0 | 0 | 0 | 116 | ||||
| 178 | E | 43.9 | Very low | 43.9 | Very low | 191 Ų | 191 | 145 Ų | 145 | 89% | 0.893 | 77% | 0.774 | S | S | * | * | trans | 174.3 | 170 | 153.8 | -108.6 | -178.5 | -140.4 | 0 | 0 | 110.5 | ||||
| 179 | P | 48.5 | Very low | 43.9 | Very low | 110 Ų | 110 | 141 Ų | 141 | 71% | 0.714 | 77% | 0.766 | S | S | * | * | cis | -132.8 | -169.9 | -16.7 | 34.5 | -13 | 0 | 0 | 0 | 115.1 | ||||
| 180 | V | 44.9 | Very low | 44 | Very low | 133 Ų | 133 | 145.7 Ų | 145.7 | 81% | 0.806 | 77% | 0.772 | S | S | * | * | trans | -65.4 | 162.5 | -180 | -120.1 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 181 | P | 46.7 | Very low | 43.7 | Very low | 111 Ų | 111 | 140.8 Ų | 140.8 | 72% | 0.721 | 77% | 0.77 | S | S | * | * | -137.5 | -159.6 | 66.3 | 27.5 | -1.2 | 0 | 0 | 0 | 113.4 | |||||
| 182 | V | 45.1 | Very low | 43.7 | Very low | 123 Ų | 123 | 143.1 Ų | 143.1 | 75% | 0.745 | 78% | 0.778 | S | S | * | * | cis | -150 | 122.2 | 17.2 | -174.2 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 183 | V | 40.9 | Very low | 44.2 | Very low | 116 Ų | 116 | 141.1 Ų | 141.1 | 70% | 0.703 | 78% | 0.781 | S | S | * | * | 24.8 | 124.3 | 125.5 | -164 | 0 | 0 | 0 | 0 | 117.8 | |||||
| 184 | E | 49.8 | Very low | 44.8 | Very low | 138 Ų | 138 | 141 Ų | 141 | 65% | 0.645 | 78% | 0.783 | S | S | * | * | -167 | 136.4 | 75.2 | -84.2 | -160 | 173.9 | 0 | 0 | 117.7 | |||||
| 185 | K | 46.7 | Very low | 44.4 | Very low | 156 Ų | 156 | 142 Ų | 142 | 68% | 0.678 | 79% | 0.787 | S | S | * | * | 51.8 | 161.9 | 128.9 | -55.8 | 175.6 | -158.9 | 151.5 | 0 | 122.6 | |||||
| 186 | P | 45.4 | Very low | 44.2 | Very low | 124 Ų | 124 | 142.9 Ų | 142.9 | 81% | 0.805 | 79% | 0.79 | S | S | * | * | cis | -133.6 | -177.8 | -35 | 37.1 | -18.9 | 0 | 0 | 0 | 114.5 | ||||
| 187 | V | 40 | Very low | 44.4 | Very low | 142 Ų | 142 | 140.9 Ų | 140.9 | 86% | 0.861 | 79% | 0.79 | S | S | * | * | trans | -103.8 | 142.8 | -174.4 | 173.2 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 188 | R | 41.1 | Very low | 43.9 | Very low | 239 Ų | 239 | 146 Ų | 146 | 90% | 0.902 | 79% | 0.794 | S | S | * | * | trans | -168.8 | 161.1 | 155.3 | -105.2 | 177.4 | 171.6 | 127.6 | -2.7 | 110.5 | ||||
| 189 | S | 43.7 | Very low | 43.7 | Very low | 92 Ų | 92 | 142.5 Ų | 142.5 | 64% | 0.643 | 79% | 0.786 | S | S | * | * | -175.2 | 140.2 | -60.3 | 55.7 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 190 | R | 43.7 | Very low | 43.3 | Very low | 256 Ų | 256 | 142.4 Ų | 142.4 | 97% | 0.966 | 79% | 0.789 | S | S | * | * | trans | 47.4 | 110.2 | 165.3 | -74.6 | -177.7 | 170.8 | 173.9 | -2.2 | 118.5 | ||||
| 191 | G | 39.2 | Very low | 43.2 | Very low | 80 Ų | 80 | 142 Ų | 142 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | trans | -136.4 | 132 | 153.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 192 | K | 44.3 | Very low | 42.9 | Very low | 217 Ų | 217 | 146 Ų | 146 | 94% | 0.943 | 79% | 0.793 | S | S | * | * | trans | -129.8 | 135.6 | 171.3 | -72.8 | -173.9 | 177.4 | -175.1 | 0 | 108.5 | ||||
| 193 | A | 45.2 | Very low | 42.8 | Very low | 94 Ų | 94 | 151.1 Ų | 151.1 | 78% | 0.777 | 80% | 0.798 | S | S | * | * | trans | -139 | 119.1 | 174 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 194 | P | 49.1 | Very low | 42.5 | Very low | 120 Ų | 120 | 152.6 Ų | 152.6 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | trans | -88.3 | 114.5 | 171.4 | 32.5 | -28.8 | 0 | 0 | 0 | 110.1 | T196 | P194-T196 PolarHBondContact O-N 2.82Š| ||
| 195 | V | 42.1 | Very low | 41.7 | Very low | 134 Ų | 134 | 153.2 Ų | 153.2 | 81% | 0.812 | 81% | 0.811 | S | S | * | * | trans | -74.8 | 117 | 171 | 178.5 | 0 | 0 | 0 | 0 | 108.6 | V197 | V195-V197 HydrophobicContact CG1-CG2 4.26Š| ||
| 196 | T | 41.2 | Very low | 41.2 | Very low | 127 Ų | 127 | 155 Ų | 155 | 78% | 0.779 | 82% | 0.819 | S | S | * | * | trans | -98.8 | 139.6 | 167.9 | 61.6 | 0 | 0 | 0 | 0 | 109.5 | P194 | P194-T196 PolarHBondContact O-N 2.82Š| ||
| 197 | V | 42.2 | Very low | 40.7 | Very low | 139 Ų | 139 | 155.4 Ų | 155.4 | 84% | 0.842 | 82% | 0.819 | S | S | * | * | trans | -130.1 | 133.5 | 166.6 | -177.6 | 0 | 0 | 0 | 0 | 107.4 | V195 | V195-V197 HydrophobicContact CG1-CG2 4.26Š| ||
| 198 | R | 38.9 | Very low | 40.4 | Very low | 223 Ų | 223 | 154.6 Ų | 154.6 | 84% | 0.842 | 81% | 0.814 | S | S | * | * | trans | -139.3 | 153.3 | -172.1 | -157 | 178.6 | 179.5 | 153.5 | -0.9 | 107.5 | ||||
| 199 | T | 38.1 | Very low | 40.1 | Very low | 118 Ų | 118 | 152.2 Ų | 152.2 | 72% | 0.724 | 81% | 0.813 | S | S | * | * | trans | 58.5 | 107.8 | 167.5 | 43.4 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 200 | S | 41 | Very low | 39.7 | Very low | 109 Ų | 109 | 156 Ų | 156 | 76% | 0.762 | 82% | 0.821 | S | S | * | * | 70.7 | 133 | 72.8 | 76.3 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 201 | S | 42 | Very low | 39.2 | Very low | 125 Ų | 125 | 150.5 Ų | 150.5 | 87% | 0.874 | 82% | 0.815 | S | S | * | * | trans | -162.9 | 169.2 | 143.1 | -159.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 202 | R | 41 | Very low | 38.8 | Very low | 195 Ų | 195 | 153.2 Ų | 153.2 | 74% | 0.736 | 81% | 0.809 | S | S | * | * | trans | -139.8 | 126.9 | -170.4 | 172.6 | -166.4 | -172.5 | -130.6 | 10.2 | 110.7 | ||||
| 203 | R | 42.4 | Very low | 38.1 | Very low | 229 Ų | 229 | 149.4 Ų | 149.4 | 86% | 0.864 | 80% | 0.804 | S | S | * | * | trans | -171.7 | 133.6 | 156.1 | -91.6 | 136.8 | -167.1 | -141.4 | 4.6 | 106.5 | ||||
| 204 | Q | 35.7 | Very low | 37.6 | Very low | 147 Ų | 147 | 152.8 Ų | 152.8 | 69% | 0.687 | 80% | 0.804 | S | S | * | * | cis | 76.3 | 105.2 | 42.5 | -68.4 | -170 | -36.6 | 0 | 0 | 115.2 | ||||
| 205 | T | 32.1 | Very low | 36.8 | Very low | 151 Ų | 151 | 154.1 Ų | 154.1 | 93% | 0.926 | 80% | 0.8 | S | S | * | * | trans | -148.7 | 163.5 | 154.4 | 33.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 206 | K | 36.2 | Very low | 36.3 | Very low | 193 Ų | 193 | 152.8 Ų | 152.8 | 84% | 0.839 | 79% | 0.792 | S | S | * | * | trans | -118.1 | 133 | -175 | -68.1 | 179.1 | 175 | -176.4 | 0 | 112.5 | V208 | K206-V208 HydrophobicContact CB-CG2 4.23Š| ||
| 207 | V | 35.8 | Very low | 36.5 | Very low | 134 Ų | 134 | 152 Ų | 152 | 81% | 0.812 | 79% | 0.789 | S | S | * | * | trans | -156 | 126.6 | 148.5 | -177.6 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 208 | V | 33.6 | Very low | 35.9 | Very low | 124 Ų | 124 | 155.7 Ų | 155.7 | 75% | 0.752 | 79% | 0.794 | S | S | * | * | cis | 79.4 | 71.1 | -3.8 | -160 | 0 | 0 | 0 | 0 | 117.2 | K206 | K206-V208 HydrophobicContact CB-CG2 4.23Š| ||
| 209 | E | 35.4 | Very low | 35.6 | Very low | 190 Ų | 190 | 155.2 Ų | 155.2 | 89% | 0.888 | 80% | 0.798 | S | S | * | * | trans | -155.1 | 148 | 134.1 | -144.1 | 166.9 | -156.3 | 0 | 0 | 109.8 | ||||
| 210 | E | 35.6 | Very low | 35.7 | Very low | 172 Ų | 172 | 153.9 Ų | 153.9 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | trans | -119 | 142.3 | -179 | -60.7 | 175 | 117.6 | 0 | 0 | 110.6 | ||||
| 211 | V | 31.6 | Very low | 35.8 | Very low | 140 Ų | 140 | 154.4 Ų | 154.4 | 85% | 0.848 | 80% | 0.802 | S | S | * | * | trans | -148.6 | 135.1 | 135.7 | 178.1 | 0 | 0 | 0 | 0 | 108 | ||||
| 212 | I | 31.1 | Very low | 36.4 | Very low | 137 Ų | 137 | 156 Ų | 156 | 70% | 0.703 | 79% | 0.794 | S | S | * | * | trans | -104.2 | 143.1 | 175.1 | -64.9 | 166.1 | 0 | 0 | 0 | 109.2 | ||||
| 213 | T | 29.2 | Very low | 37 | Very low | 136 Ų | 136 | 150.8 Ų | 150.8 | 83% | 0.834 | 79% | 0.787 | S | S | * | * | trans | -153.6 | 109 | 153.4 | -10.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 214 | E | 35 | Very low | 37.7 | Very low | 165 Ų | 165 | 144.9 Ų | 144.9 | 77% | 0.771 | 78% | 0.776 | S | S | * | * | trans | -74.8 | 165.2 | 161 | -100.2 | 174.9 | 154 | 0 | 0 | 109.5 | ||||
| 215 | E | 32.5 | Very low | 38.7 | Very low | 149 Ų | 149 | 143.1 Ų | 143.1 | 70% | 0.696 | 78% | 0.775 | S | S | * | * | cis | -149.3 | 143.5 | 24.1 | -102.9 | -140 | -116.2 | 0 | 0 | 113.4 | ||||
| 216 | T | 32.3 | Very low | 39.9 | Very low | 106 Ų | 106 | 140.6 Ų | 140.6 | 65% | 0.65 | 75% | 0.753 | S | S | * | * | trans | 38.7 | 178.1 | 132.3 | 80.6 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 217 | P | 43.9 | Very low | 40.7 | Very low | 110 Ų | 110 | 136.7 Ų | 136.7 | 71% | 0.714 | 74% | 0.741 | S | S | * | * | -132.9 | 154 | -82.1 | 40 | -23.2 | 0 | 0 | 0 | 116.2 | |||||
| 218 | K | 30.8 | Very low | 41.7 | Very low | 217 Ų | 217 | 136.5 Ų | 136.5 | 94% | 0.943 | 73% | 0.734 | S | S | * | * | trans | -136.6 | 150.3 | 156.1 | -75.2 | -168.9 | 177.9 | 175 | 0 | 112 | ||||
| 219 | K | 32.6 | Very low | 42.7 | Very low | 212 Ų | 212 | 136.2 Ų | 136.2 | 92% | 0.922 | 73% | 0.728 | S | S | * | * | trans | -97.1 | 165.8 | -164.6 | -66.8 | -179.7 | 176.7 | 178.6 | 0 | 114.1 | ||||
| 220 | A | 39.4 | Very low | 43.7 | Very low | 90 Ų | 90 | 130.7 Ų | 130.7 | 74% | 0.744 | 72% | 0.715 | S | S | * | * | trans | 100.3 | 152.1 | 158 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 221 | S | 44.6 | Very low | 44.6 | Very low | 120 Ų | 120 | 129.7 Ų | 129.7 | 84% | 0.839 | 72% | 0.715 | S | S | * | * | trans | 54.4 | 58.7 | 176.7 | 63.4 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 222 | K | 53.1 | Low | 45.8 | Very low | 159 Ų | 159 | 128.3 Ų | 128.3 | 69% | 0.691 | 70% | 0.699 | S | S | * | * | trans | -140.6 | 104.9 | 151.9 | -57 | -171.1 | -172.3 | -179.7 | 0 | 109.5 | E226 | K222-E226 WeakPolarHBondContact CB-OE2 3.22Å; K222-E226 VanDerWaalsContact CD-OE1 3.28Å; K222-E226 WeakPolarHBondContact CD-OE1 3.31Å; K222-E226 IonicContact NZ-OE1 2.65Å | ||
| 223 | S | 54.7 | Low | 47 | Very low | 86 Ų | 86 | 128.5 Ų | 128.5 | 60% | 0.601 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -173.1 | 41.8 | -179.7 | 64.6 | 0 | 0 | 0 | 0 | 112.5 | ||
| 224 | V | 56.7 | Low | 48.4 | Very low | 105 Ų | 105 | 129.7 Ų | 129.7 | 64% | 0.636 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -148.3 | -41.1 | 174.4 | -174.9 | 0 | 0 | 0 | 0 | 110.1 | ||
| 225 | V | 56.2 | Low | 49.2 | Very low | 110 Ų | 110 | 125.2 Ų | 125.2 | 67% | 0.667 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -79.8 | -33.2 | 179.3 | -155.1 | 0 | 0 | 0 | 0 | 111.9 | ||
| 226 | E | 57.5 | Low | 50.3 | Low | 98 Ų | 98 | 124.9 Ų | 124.9 | 46% | 0.458 | 70% | 0.697 | S | S | . | * | H | α-helix | trans | -77.1 | -33.6 | -178.1 | -70.2 | 169.1 | 164.8 | 0 | 0 | 111.9 | K222 I228 L229 A230 | K222-E226 WeakPolarHBondContact CB-OE2 3.22Å; K222-E226 VanDerWaalsContact CD-OE1 3.28Å; K222-E226 WeakPolarHBondContact CD-OE1 3.31Å; K222-E226 IonicContact NZ-OE1 2.65Å; E226-I228 PolarHBondContact O-N 2.88Å; E226-L229 PolarHBondContact O-N 3.04Å; E226-A230 PolarHBondContact O-N 2.92Å |
| 227 | D | 53.6 | Low | 51.6 | Low | 111 Ų | 111 | 125.2 Ų | 125.2 | 59% | 0.594 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -63.3 | -27.3 | 174.8 | -69.7 | -20.6 | 0 | 0 | 0 | 113.3 | L229 | D227-L229 VanDerWaalsContact C-N 3.3Å |
| 228 | I | 56.1 | Low | 52.2 | Low | 130 Ų | 130 | 123.4 Ų | 123.4 | 67% | 0.667 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -71.9 | -29.1 | 175.4 | -63.1 | 169.7 | 0 | 0 | 0 | 110.9 | E226 | E226-I228 PolarHBondContact O-N 2.88Å |
| 229 | L | 54.8 | Low | 53.5 | Low | 117 Ų | 117 | 118.9 Ų | 118.9 | 61% | 0.613 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -94.1 | -23.6 | -177.2 | -62 | 173.6 | 0 | 0 | 0 | 112.8 | E226 D227 N231 E232 | E226-L229 PolarHBondContact O-N 3.04Å; D227-L229 VanDerWaalsContact C-N 3.3Å; L229-N231 PolarHBondContact O-N 3.1Å; L229-N231 VanDerWaalsContact O-N 3.11Å; L229-E232 PolarHBondContact O-N 3.45Å; L229-E232 VanDerWaalsContact O-N 3.08Å |
| 230 | A | 56.6 | Low | 54.5 | Low | 75 Ų | 75 | 112.1 Ų | 112.1 | 62% | 0.62 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.1 | -17.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | E226 E232 | E226-A230 PolarHBondContact O-N 2.92Å; A230-E232 VanDerWaalsContact C-N 3.33Å |
| 231 | N | 54.6 | Low | 55.3 | Low | 150 Ų | 150 | 112 Ų | 112 | 80% | 0.802 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | -9.7 | 175.1 | -85.3 | 0.3 | 0 | 0 | 0 | 114.2 | L229 | L229-N231 PolarHBondContact O-N 3.1Å; L229-N231 VanDerWaalsContact O-N 3.11Å |
| 232 | E | 57.2 | Low | 56.1 | Low | 112 Ų | 112 | 112.3 Ų | 112.3 | 52% | 0.523 | 66% | 0.66 | S | S | . | * | S | Bend | trans | -96.3 | 118.4 | 173 | -168 | 151.8 | -144.1 | 0 | 0 | 110.6 | L229 A230 N234 S240 | L229-E232 PolarHBondContact O-N 3.45Å; L229-E232 VanDerWaalsContact O-N 3.08Å; A230-E232 VanDerWaalsContact C-N 3.33Å; E232-N234 PolarHBondContact O-N 3.28Å; E232-S240 WeakPolarHBondContact OE1-CB 3.42Å; E232-S240 PolarHBondContact OE1-OG 3.04Å |
| 233 | I | 56.5 | Low | 56.2 | Low | 140 Ų | 140 | 110.9 Ų | 110.9 | 72% | 0.718 | 67% | 0.669 | S | S | * | * | trans | -77.5 | 96.8 | -167.7 | -45.4 | 173 | 0 | 0 | 0 | 109.9 | T235 | I233-T235 VanDerWaalsContact C-N 3.27Å; I233-T235 HydrophobicContact CG2-CG2 4.37Å; I233-T235 PolarHBondContact O-N 3.11Å | ||
| 234 | N | 57.3 | Low | 56.6 | Low | 161 Ų | 161 | 118.1 Ų | 118.1 | 86% | 0.861 | 68% | 0.683 | S | S | * | * | trans | -62.2 | 79.9 | 178.3 | -79.1 | -15.9 | 0 | 0 | 0 | 113 | E232 | E232-N234 PolarHBondContact O-N 3.28Š| ||
| 235 | T | 53.1 | Low | 57.1 | Low | 71 Ų | 71 | 122 Ų | 122 | 44% | 0.436 | 69% | 0.686 | S | S | . | * | trans | -88.7 | 142.4 | 165.9 | 51.8 | 0 | 0 | 0 | 0 | 109.3 | I233 T237 G238 | I233-T235 VanDerWaalsContact C-N 3.27Å; I233-T235 HydrophobicContact CG2-CG2 4.37Å; I233-T235 PolarHBondContact O-N 3.11Å; T235-T237 PolarHBondContact O-N 2.94Å; T235-G238 PolarHBondContact O-N 3Å | ||
| 236 | P | 54.2 | Low | 57.4 | Low | 143 Ų | 143 | 122.5 Ų | 122.5 | 93% | 0.929 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | 8.9 | -165.8 | 28.1 | -36.8 | 0 | 0 | 0 | 115.7 | ||
| 237 | T | 59.4 | Low | 57.9 | Low | 113 Ų | 113 | 125.9 Ų | 125.9 | 69% | 0.693 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.3 | -6 | 174.5 | -20.4 | 0 | 0 | 0 | 0 | 113.1 | T235 I239 | T235-T237 PolarHBondContact O-N 2.94Å; T237-I239 WeakPolarHBondContact O-CG1 3.28Å; T237-I239 PolarHBondContact O-N 3.08Å |
| 238 | G | 56.5 | Low | 58.4 | Low | 72 Ų | 72 | 129.5 Ų | 129.5 | 74% | 0.742 | 72% | 0.717 | S | S | * | * | trans | 68.4 | 30.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | T235 | T235-G238 PolarHBondContact O-N 3Š| ||
| 239 | I | 58.3 | Low | 58.6 | Low | 121 Ų | 121 | 126.5 Ų | 126.5 | 62% | 0.621 | 72% | 0.718 | S | S | * | * | trans | -124.1 | 95.9 | -178.5 | -33.6 | -179.7 | 0 | 0 | 0 | 111 | T237 A241 | T237-I239 WeakPolarHBondContact O-CG1 3.28Å; T237-I239 PolarHBondContact O-N 3.08Å; I239-A241 VanDerWaalsContact C-N 3.27Å; I239-A241 PolarHBondContact O-N 3.47Å | ||
| 240 | S | 53.4 | Low | 58.8 | Low | 70 Ų | 70 | 126.6 Ų | 126.6 | 49% | 0.49 | 74% | 0.735 | S | S | . | * | trans | -76.1 | 68.2 | 178.9 | 41.7 | 0 | 0 | 0 | 0 | 112.8 | E232 T242 | E232-S240 WeakPolarHBondContact OE1-CB 3.42Å; E232-S240 PolarHBondContact OE1-OG 3.04Å; S240-T242 PolarHBondContact O-N 2.96Å; S240-T242 VanDerWaalsContact O-N 3.12Å | ||
| 241 | A | 56.3 | Low | 58.8 | Low | 87 Ų | 87 | 127 Ų | 127 | 72% | 0.719 | 74% | 0.738 | S | S | * | * | trans | -76 | 96.1 | -180 | 0 | 0 | 0 | 0 | 0 | 112.4 | I239 C243 | I239-A241 VanDerWaalsContact C-N 3.27Å; I239-A241 PolarHBondContact O-N 3.47Å; A241-C243 PolarHBondContact O-N 2.83Å | ||
| 242 | T | 61.5 | Low | 58.8 | Low | 128 Ų | 128 | 124 Ų | 124 | 79% | 0.785 | 74% | 0.743 | S | S | * | * | trans | -67.2 | 127.6 | 172.9 | 53.3 | 0 | 0 | 0 | 0 | 111.6 | S240 R244 | S240-T242 PolarHBondContact O-N 2.96Å; S240-T242 VanDerWaalsContact O-N 3.12Å; T242-R244 PolarHBondContact O-N 3.25Å | ||
| 243 | C | 55.6 | Low | 59 | Low | 129 Ų | 129 | 128.9 Ų | 128.9 | 87% | 0.872 | 76% | 0.756 | S | S | * | * | trans | -63.6 | 107.7 | 175.4 | -68.6 | 0 | 0 | 0 | 0 | 110.2 | A241 R245 | A241-C243 PolarHBondContact O-N 2.83Å; C243-R245 PolarHBondContact O-N 2.58Å | ||
| 244 | R | 63.3 | Low | 59 | Low | 237 Ų | 237 | 128.5 Ų | 128.5 | 89% | 0.894 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 135.5 | 174.6 | -64.9 | -174.6 | 179.1 | -164.6 | -0.9 | 109.7 | T242 | T242-R244 PolarHBondContact O-N 3.25Š|
| 245 | R | 67.7 | Low | 59 | Low | 187 Ų | 187 | 126.3 Ų | 126.3 | 71% | 0.706 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -49.3 | 137.4 | 175.7 | -71.7 | 174.7 | 167.1 | 144.9 | -8.5 | 109.9 | C243 I247 D263 | C243-R245 PolarHBondContact O-N 2.58Å; R245-I247 PolarHBondContact O-N 3.3Å; R245-D263 IonicContact CZ-OD2 3.52Å; R245-D263 IonicContact NH2-OD2 3.52Å; R245-D263 PolarHBondContact NH2-OD2 3.15Å |
| 246 | P | 62.8 | Low | 59.3 | Low | 121 Ų | 121 | 130.5 Ų | 130.5 | 79% | 0.786 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -59 | 139.4 | 179.2 | 25.2 | -34.2 | 0 | 0 | 0 | 110.3 | R248 | P246-R248 PolarHBondContact O-N 3.21Š|
| 247 | I | 66.5 | Low | 59.6 | Low | 169 Ų | 169 | 129.4 Ų | 129.4 | 87% | 0.867 | 76% | 0.756 | S | S | * | * | trans | -64.8 | 106.5 | -174.7 | -54.6 | 175.4 | 0 | 0 | 0 | 108.6 | R245 G249 | R245-I247 PolarHBondContact O-N 3.3Å; I247-G249 PolarHBondContact O-N 3.11Å | ||
| 248 | R | 64.4 | Low | 59.6 | Low | 187 Ų | 187 | 127.6 Ų | 127.6 | 71% | 0.706 | 75% | 0.748 | S | S | * | * | trans | -57.1 | 126.3 | 173.2 | -87.3 | -171.4 | 170.9 | -166 | 0.6 | 108.4 | P246 E259 | P246-R248 PolarHBondContact O-N 3.21Å; R248-E259 IonicContact CZ-OE2 3.51Å; R248-E259 IonicContact NH1-OE2 2.73Å; R248-E259 PolarHBondContact NH1-OE2 3.45Å; R248-E259 IonicContact NH2-OE2 3.78Å; R248-E259 PolarHBondContact NH2-OE2 3.45Å | ||
| 249 | G | 61.5 | Low | 59.6 | Low | 67 Ų | 67 | 129.4 Ų | 129.4 | 69% | 0.691 | 74% | 0.737 | S | S | * | * | trans | -66.5 | 155.2 | -167 | 0 | 0 | 0 | 0 | 0 | 114.5 | I247 A251 | I247-G249 PolarHBondContact O-N 3.11Å; G249-A251 PolarHBondContact O-N 3.15Å | ||
| 250 | A | 58.3 | Low | 59.4 | Low | 118 Ų | 118 | 133.2 Ų | 133.2 | 98% | 0.975 | 75% | 0.745 | S | S | * | * | trans | -74 | 44.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 251 | A | 55.7 | Low | 59.2 | Low | 84 Ų | 84 | 139.5 Ų | 139.5 | 69% | 0.694 | 76% | 0.758 | S | S | * | * | trans | -92.3 | 104 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | G249 R253 | G249-A251 PolarHBondContact O-N 3.15Å; A251-R253 PolarHBondContact O-N 2.99Å | ||
| 252 | G | 54.7 | Low | 58.9 | Low | 86 Ų | 86 | 141 Ų | 141 | 89% | 0.887 | 75% | 0.753 | S | S | * | * | trans | -62.4 | 95.5 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 253 | R | 61.2 | Low | 58.2 | Low | 216 Ų | 216 | 140.2 Ų | 140.2 | 82% | 0.815 | 74% | 0.744 | S | S | * | * | trans | -125.9 | 131.5 | 161.5 | -67.8 | -172.4 | 176 | -158.9 | -1.4 | 108.7 | A251 L255 | A251-R253 PolarHBondContact O-N 2.99Å; R253-L255 PolarHBondContact O-N 2.74Å; R253-L255 VanDerWaalsContact O-N 3.17Å | ||
| 254 | P | 57.9 | Low | 57.9 | Low | 132 Ų | 132 | 142.1 Ų | 142.1 | 86% | 0.857 | 74% | 0.74 | S | S | * | * | trans | -67.3 | 115 | 176.2 | 27.1 | -32.9 | 0 | 0 | 0 | 109.8 | ||||
| 255 | L | 56.1 | Low | 57.3 | Low | 115 Ų | 115 | 134.7 Ų | 134.7 | 60% | 0.602 | 72% | 0.724 | S | S | * | * | trans | -74.6 | 136.5 | 177.1 | -66.4 | 173.2 | 0 | 0 | 0 | 110.1 | R253 | R253-L255 PolarHBondContact O-N 2.74Å; R253-L255 VanDerWaalsContact O-N 3.17Å | ||
| 256 | K | 60.5 | Low | 56.4 | Low | 159 Ų | 159 | 136 Ų | 136 | 69% | 0.691 | 73% | 0.73 | S | S | * | * | trans | -75.3 | 142.8 | 174.8 | -67.5 | -178.4 | 178.6 | 179.8 | 0 | 110 | S258 E259 | K256-S258 PolarHBondContact O-N 3.31Å; K256-E259 PolarHBondContact O-N 2.87Å; K256-E259 VanDerWaalsContact O-N 3.1Å | ||
| 257 | P | 59.8 | Low | 55.4 | Low | 120 Ų | 120 | 135.8 Ų | 135.8 | 78% | 0.779 | 73% | 0.725 | S | S | * | * | G | 310 helix | trans | -54.8 | -22.6 | 179.5 | -28.5 | 35.7 | 0 | 0 | 0 | 115.3 | E259 Y260 | P257-E259 VanDerWaalsContact C-N 3.3Å; P257-E259 PolarHBondContact O-N 2.93Å; P257-Y260 PolarHBondContact O-N 3.33Å |
| 258 | S | 60 | Low | 54.2 | Low | 75 Ų | 75 | 136.5 Ų | 136.5 | 52% | 0.524 | 73% | 0.725 | S | S | . | * | G | 310 helix | trans | -66.1 | -21.6 | 178.1 | 54 | 0 | 0 | 0 | 0 | 115 | K256 Y260 | K256-S258 PolarHBondContact O-N 3.31Å; S258-Y260 VanDerWaalsContact C-N 3.27Å; S258-Y260 PolarHBondContact O-N 3.02Å |
| 259 | E | 55.4 | Low | 53 | Low | 110 Ų | 110 | 138.5 Ų | 138.5 | 51% | 0.514 | 73% | 0.733 | S | S | . | * | G | 310 helix | trans | -75.2 | -12.7 | 179.3 | -108.2 | -173.8 | -109 | 0 | 0 | 113.7 | R248 K256 P257 W261 | R248-E259 IonicContact CZ-OE2 3.51Å; R248-E259 IonicContact NH1-OE2 2.73Å; R248-E259 PolarHBondContact NH1-OE2 3.45Å; R248-E259 IonicContact NH2-OE2 3.78Å; R248-E259 PolarHBondContact NH2-OE2 3.45Å; K256-E259 PolarHBondContact O-N 2.87Å; K256-E259 VanDerWaalsContact O-N 3.1Å; P257-E259 VanDerWaalsContact C-N 3.3Å; P257-E259 PolarHBondContact O-N 2.93Å; E259-W261 VanDerWaalsContact C-N 3.34Å; E259-W261 PolarHBondContact O-N 3.45Å |
| 260 | Y | 53.9 | Low | 51.9 | Low | 200 Ų | 200 | 141 Ų | 141 | 78% | 0.784 | 74% | 0.735 | S | S | * | * | G | 310 helix | trans | -78.2 | -15.5 | -178.4 | -163.8 | -96 | 0 | 0 | 0 | 113.9 | P257 S258 | P257-Y260 PolarHBondContact O-N 3.33Å; S258-Y260 VanDerWaalsContact C-N 3.27Å; S258-Y260 PolarHBondContact O-N 3.02Å |
| 261 | W | 49.9 | Very low | 51 | Low | 202 Ų | 202 | 140.9 Ų | 140.9 | 77% | 0.765 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -122.3 | 14.5 | -163.1 | -80.2 | 101.5 | 0 | 0 | 0 | 115.7 | E259 | E259-W261 VanDerWaalsContact C-N 3.34Å; E259-W261 PolarHBondContact O-N 3.45Å |
| 262 | L | 50.8 | Low | 50 | Low | 120 Ų | 120 | 145.8 Ų | 145.8 | 63% | 0.628 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -122.3 | 17.8 | -168.2 | -73.8 | 175.4 | 0 | 0 | 0 | 116.4 | ||
| 263 | D | 46.2 | Very low | 48.9 | Very low | 110 Ų | 110 | 147.3 Ų | 147.3 | 59% | 0.588 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -103.6 | -30 | -176.4 | -153.5 | 34.9 | 0 | 0 | 0 | 113.8 | R245 | R245-D263 IonicContact CZ-OD2 3.52Å; R245-D263 IonicContact NH2-OD2 3.52Å; R245-D263 PolarHBondContact NH2-OD2 3.15Å |
| 264 | E | 48.7 | Very low | 47.7 | Very low | 170 Ų | 170 | 145.3 Ų | 145.3 | 79% | 0.794 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -87.7 | -17.7 | -174.9 | -75.4 | 169 | 112.6 | 0 | 0 | 114.7 | ||
| 265 | S | 51.6 | Low | 46.4 | Very low | 80 Ų | 80 | 145.3 Ų | 145.3 | 56% | 0.559 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.2 | -6.2 | -175.1 | 61.7 | 0 | 0 | 0 | 0 | 115.2 | ||
| 266 | R | 47.3 | Very low | 45.2 | Very low | 216 Ų | 216 | 151.5 Ų | 151.5 | 82% | 0.815 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.3 | -15.3 | -178.9 | -93.5 | -176.6 | 173 | -100 | -0.2 | 115.1 | ||
| 267 | V | 42.9 | Very low | 43.8 | Very low | 115 Ų | 115 | 149.8 Ų | 149.8 | 70% | 0.697 | 75% | 0.748 | S | S | * | * | G | 310 helix | trans | -80.1 | -30.5 | -173.3 | -175.8 | 0 | 0 | 0 | 0 | 112.9 | R269 | V267-R269 PolarHBondContact O-N 2.86Š|
| 268 | Q | 40.8 | Very low | 42.7 | Very low | 185 Ų | 185 | 153 Ų | 153 | 86% | 0.864 | 75% | 0.746 | S | S | * | * | G | 310 helix | trans | -85.4 | 6.2 | -171.7 | -69.9 | -172.9 | -18 | 0 | 0 | 115.9 | ||
| 269 | R | 40.4 | Very low | 41.5 | Very low | 228 Ų | 228 | 155.5 Ų | 155.5 | 86% | 0.86 | 76% | 0.759 | S | S | * | * | G | 310 helix | trans | -118.2 | 16.3 | -166.9 | -133.7 | -177 | -166.7 | 104.6 | 1.7 | 116.4 | V267 | V267-R269 PolarHBondContact O-N 2.86Š|
| 270 | T | 38.3 | Very low | 40.4 | Very low | 121 Ų | 121 | 158 Ų | 158 | 74% | 0.742 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -96.2 | -5.1 | 178.9 | 47.1 | 0 | 0 | 0 | 0 | 114.3 | ||
| 271 | V | 39.3 | Very low | 39.3 | Very low | 115 Ų | 115 | 153.2 Ų | 153.2 | 70% | 0.697 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -109.4 | 90.8 | 175 | -175.3 | 0 | 0 | 0 | 0 | 109.4 | ||
| 272 | H | 33.3 | Very low | 38.6 | Very low | 186 Ų | 186 | 154.9 Ų | 154.9 | 86% | 0.861 | 77% | 0.77 | S | S | * | * | trans | 166.4 | 110.6 | 140.4 | -90.8 | -62.2 | 0 | 0 | 0 | 109 | ||||
| 273 | T | 31.4 | Very low | 37.8 | Very low | 119 Ų | 119 | 154 Ų | 154 | 73% | 0.73 | 77% | 0.774 | S | S | * | * | trans | -96.1 | 142.8 | -175.3 | -58.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 274 | E | 37.3 | Very low | 37.3 | Very low | 173 Ų | 173 | 157.9 Ų | 157.9 | 81% | 0.808 | 79% | 0.788 | S | S | * | * | trans | 53.3 | 116.8 | 160.6 | -74.3 | 170.5 | -170 | 0 | 0 | 120.9 | ||||
| 275 | S | 29.7 | Very low | 36.8 | Very low | 132 Ų | 132 | 154.6 Ų | 154.6 | 92% | 0.923 | 78% | 0.782 | S | S | * | * | -149.8 | 157.1 | 118.6 | -83.9 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 276 | R | 31.2 | Very low | 35.9 | Very low | 246 Ų | 246 | 158.3 Ų | 158.3 | 93% | 0.928 | 79% | 0.794 | S | S | * | * | trans | -137.6 | 122.7 | -154.6 | 174.2 | -169.6 | 179.1 | -162.3 | 1.9 | 112.2 | ||||
| 277 | S | 31.3 | Very low | 35.2 | Very low | 122 Ų | 122 | 153.4 Ų | 153.4 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | trans | -153.7 | 148.3 | 161.5 | 54 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 278 | Y | 37 | Very low | 34.8 | Very low | 188 Ų | 188 | 153.7 Ų | 153.7 | 74% | 0.737 | 80% | 0.8 | S | S | * | * | trans | -93.8 | 159.9 | -178.5 | 92.1 | -54.1 | 0 | 0 | 0 | 112.2 | ||||
| 279 | T | 33.6 | Very low | 34.7 | Very low | 128 Ų | 128 | 150 Ų | 150 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | trans | -162.9 | 154.2 | 130.9 | 19.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 280 | E | 32.8 | Very low | 34.4 | Very low | 161 Ų | 161 | 144.8 Ų | 144.8 | 75% | 0.752 | 80% | 0.799 | S | S | * | * | trans | -97.4 | 152.9 | -167.7 | -86 | -172.2 | 83.8 | 0 | 0 | 115.5 | ||||
| 281 | T | 32.1 | Very low | 34.6 | Very low | 100 Ų | 100 | 144.6 Ų | 144.6 | 61% | 0.613 | 80% | 0.803 | S | S | * | * | trans | 41.1 | 109.5 | 135.3 | -50.9 | 0 | 0 | 0 | 0 | 119 | ||||
| 282 | Y | 33.9 | Very low | 34.6 | Very low | 237 Ų | 237 | 144.8 Ų | 144.8 | 93% | 0.929 | 81% | 0.81 | S | S | * | * | -152.6 | 139 | 108.9 | -114 | -77.3 | 0 | 0 | 0 | 110.8 | |||||
| 283 | S | 34 | Very low | 35 | Very low | 101 Ų | 101 | 145.3 Ų | 145.3 | 71% | 0.706 | 81% | 0.809 | S | S | * | * | trans | -138.2 | 117.9 | -173 | 59.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 284 | Q | 35.3 | Very low | 35.4 | Very low | 192 Ų | 192 | 143.6 Ų | 143.6 | 90% | 0.897 | 81% | 0.807 | S | S | * | * | trans | -142.3 | 158.6 | 156.7 | -82.7 | -152.1 | -7.5 | 0 | 0 | 110.9 | ||||
| 285 | P | 39.5 | Very low | 35.8 | Very low | 101 Ų | 101 | 141.3 Ų | 141.3 | 66% | 0.656 | 81% | 0.807 | S | S | * | * | trans | -125.7 | 163.3 | -148 | 40.7 | -26.6 | 0 | 0 | 0 | 116 | ||||
| 286 | I | 33.1 | Very low | 36.7 | Very low | 159 Ų | 159 | 139.1 Ų | 139.1 | 82% | 0.815 | 79% | 0.79 | S | S | * | * | trans | 62 | 109.7 | 156.3 | -62.5 | 154.9 | 0 | 0 | 0 | 114.6 | ||||
| 287 | S | 31.4 | Very low | 38.1 | Very low | 113 Ų | 113 | 136.6 Ų | 136.6 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | -169.1 | 138.6 | 66.1 | 34 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 288 | S | 34.4 | Very low | 39.5 | Very low | 120 Ų | 120 | 141.6 Ų | 141.6 | 84% | 0.839 | 78% | 0.78 | S | S | * | * | trans | -153.6 | 133.4 | 159 | 55.4 | 0 | 0 | 0 | 0 | 110.3 | S290 | S288-S290 PolarHBondContact O-N 3.23Š| ||
| 289 | A | 39.6 | Very low | 40.7 | Very low | 107 Ų | 107 | 134.8 Ų | 134.8 | 88% | 0.884 | 77% | 0.768 | S | S | * | * | trans | -81.8 | 114.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | S291 | A289-S291 PolarHBondContact O-N 3.43Š| ||
| 290 | S | 34.7 | Very low | 42 | Very low | 119 Ų | 119 | 135.2 Ų | 135.2 | 83% | 0.832 | 76% | 0.759 | S | S | * | * | trans | -87.8 | 77.5 | 179.4 | 176.1 | 0 | 0 | 0 | 0 | 112.1 | S288 S292 | S288-S290 PolarHBondContact O-N 3.23Å; S290-S292 PolarHBondContact O-N 2.96Å | ||
| 291 | S | 41.4 | Very low | 43.8 | Very low | 117 Ų | 117 | 133.2 Ų | 133.2 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | trans | -74.6 | 118.7 | 167.5 | -173.2 | 0 | 0 | 0 | 0 | 110.4 | A289 K293 | A289-S291 PolarHBondContact O-N 3.43Å; S291-K293 PolarHBondContact O-N 2.83Å | ||
| 292 | S | 40.4 | Very low | 46.1 | Very low | 120 Ų | 120 | 131.1 Ų | 131.1 | 84% | 0.839 | 74% | 0.738 | S | S | * | * | trans | -84 | 100.4 | -174.5 | 43.5 | 0 | 0 | 0 | 0 | 112.4 | S290 | S290-S292 PolarHBondContact O-N 2.96Š| ||
| 293 | K | 41 | Very low | 48.6 | Very low | 197 Ų | 197 | 125 Ų | 125 | 86% | 0.857 | 72% | 0.72 | S | S | * | * | trans | -131.7 | 156.4 | 162.4 | -145.4 | 158.1 | -173.9 | 172.3 | 0 | 110.3 | S291 | S291-K293 PolarHBondContact O-N 2.83Š| ||
| 294 | A | 40.4 | Very low | 51.2 | Low | 82 Ų | 82 | 125.3 Ų | 125.3 | 68% | 0.678 | 71% | 0.713 | S | S | * | * | trans | -45.9 | 144.4 | -164.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | P296 | A294-P296 VanDerWaalsContact O-CD 3.24Å; A294-P296 WeakPolarHBondContact O-CD 3.27Å | ||
| 295 | P | 44.4 | Very low | 54 | Low | 126 Ų | 126 | 121.3 Ų | 121.3 | 82% | 0.818 | 70% | 0.697 | S | S | * | * | trans | -56.1 | 111.5 | -173.3 | 22.8 | -34.3 | 0 | 0 | 0 | 110.9 | ||||
| 296 | P | 49.7 | Very low | 56.5 | Low | 86 Ų | 86 | 122.8 Ų | 122.8 | 56% | 0.558 | 69% | 0.693 | S | S | * | * | trans | -67 | 150.7 | 179.1 | 28.3 | -33.9 | 0 | 0 | 0 | 109.1 | A294 R298 F301 | A294-P296 VanDerWaalsContact O-CD 3.24Å; A294-P296 WeakPolarHBondContact O-CD 3.27Å; P296-R298 VanDerWaalsContact C-N 3.28Å; P296-R298 PolarHBondContact O-N 3.26Å; P296-F301 HydrophobicContact CB-CD2 4.2Å; P296-F301 HydrophobicContact CB-CE2 3.92Å | ||
| 297 | R | 60.4 | Low | 59.5 | Low | 192 Ų | 192 | 120.1 Ų | 120.1 | 73% | 0.725 | 68% | 0.68 | S | S | * | * | trans | -65.4 | 87.7 | 177.1 | -67.3 | -178.5 | 169 | -171.8 | -3.2 | 109.9 | G299 F300 | R297-G299 PolarHBondContact O-N 2.87Å; R297-F300 HydrophobicContact CB-CD2 3.81Å; R297-F300 HydrophobicContact CB-CE2 4.4Å; R297-F300 PolarHBondContact O-N 3.45Å; R297-F300 VanDerWaalsContact O-N 3.11Å | ||
| 298 | R | 59.5 | Low | 62.6 | Low | 227 Ų | 227 | 119.9 Ų | 119.9 | 86% | 0.857 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -60.1 | -19.6 | -160.3 | -157.5 | 173.2 | -176.4 | -178.6 | 0.4 | 115.2 | P296 | P296-R298 VanDerWaalsContact C-N 3.28Å; P296-R298 PolarHBondContact O-N 3.26Å |
| 299 | G | 63.2 | Low | 65.5 | Low | 46 Ų | 46 | 119.2 Ų | 119.2 | 47% | 0.474 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -72.9 | -47.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | R297 F301 S302 L303 | R297-G299 PolarHBondContact O-N 2.87Å; G299-F301 PolarHBondContact O-N 3.28Å; G299-S302 PolarHBondContact O-N 3.23Å; G299-L303 PolarHBondContact O-N 2.86Å; G299-L303 VanDerWaalsContact O-N 3.15Å |
| 300 | F | 61.3 | Low | 68.3 | Low | 137 Ų | 137 | 119.2 Ų | 119.2 | 60% | 0.601 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -68.2 | -38.9 | -169.3 | -66.4 | -74.2 | 0 | 0 | 0 | 113.3 | R297 S302 L303 L304 | R297-F300 HydrophobicContact CB-CD2 3.81Å; R297-F300 HydrophobicContact CB-CE2 4.4Å; R297-F300 PolarHBondContact O-N 3.45Å; R297-F300 VanDerWaalsContact O-N 3.11Å; F300-S302 VanDerWaalsContact C-N 3.31Å; F300-S302 PolarHBondContact O-N 2.92Å; F300-L303 PolarHBondContact O-N 2.89Å; F300-L304 WeakPolarHBondContact O-CB 3.43Å; F300-L304 PolarHBondContact O-N 3.43Å |
| 301 | F | 69.8 | Low | 71.2 | Confident | 119 Ų | 119 | 117.7 Ų | 117.7 | 52% | 0.522 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -65.5 | -33.8 | 175.9 | -68.8 | -78.1 | 0 | 0 | 0 | 112.5 | P296 G299 L304 I305 | P296-F301 HydrophobicContact CB-CD2 4.2Å; P296-F301 HydrophobicContact CB-CE2 3.92Å; G299-F301 PolarHBondContact O-N 3.28Å; F301-L304 PolarHBondContact O-N 2.86Å; F301-I305 WeakPolarHBondContact O-CB 3.4Å; F301-I305 WeakPolarHBondContact O-CD1 3.34Å; F301-I305 VanDerWaalsContact O-CG1 3.23Å; F301-I305 WeakPolarHBondContact O-CG1 3.49Å; F301-I305 PolarHBondContact O-N 3.18Å |
| 302 | S | 80.3 | Confident | 73.9 | Confident | 56 Ų | 56 | 116.1 Ų | 116.1 | 39% | 0.392 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -66.4 | -40.6 | 173.6 | -174.7 | 0 | 0 | 0 | 0 | 111.7 | G299 F300 K306 | G299-S302 PolarHBondContact O-N 3.23Å; F300-S302 VanDerWaalsContact C-N 3.31Å; F300-S302 PolarHBondContact O-N 2.92Å; S302-K306 WeakPolarHBondContact O-CB 3.47Å; S302-K306 VanDerWaalsContact O-CG 3.26Å; S302-K306 WeakPolarHBondContact O-CG 3.13Å; S302-K306 PolarHBondContact O-N 2.67Å |
| 303 | L | 86.8 | Confident | 76.6 | Confident | 108 Ų | 108 | 114.8 Ų | 114.8 | 57% | 0.565 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -67.4 | -39.9 | 175.2 | -65.8 | 173.6 | 0 | 0 | 0 | 112.1 | G299 F300 K306 L307 | G299-L303 PolarHBondContact O-N 2.86Å; G299-L303 VanDerWaalsContact O-N 3.15Å; F300-L303 PolarHBondContact O-N 2.89Å; L303-K306 PolarHBondContact O-N 2.91Å; L303-L307 WeakPolarHBondContact O-CB 3.43Å; L303-L307 PolarHBondContact O-N 3.33Å |
| 304 | L | 89 | Confident | 79.2 | Confident | 107 Ų | 107 | 109.4 Ų | 109.4 | 56% | 0.56 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -64.9 | -41.9 | 176.6 | -174 | 64.6 | 0 | 0 | 0 | 112 | F300 F301 L307 L308 | F300-L304 WeakPolarHBondContact O-CB 3.43Å; F300-L304 PolarHBondContact O-N 3.43Å; F301-L304 PolarHBondContact O-N 2.86Å; L304-L307 PolarHBondContact O-N 2.85Å; L304-L308 WeakPolarHBondContact O-CB 3.23Å; L304-L308 PolarHBondContact O-N 3.35Å |
| 305 | I | 93.1 | Very high | 81.9 | Confident | 108 Ų | 108 | 107.4 Ų | 107.4 | 55% | 0.554 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -65.3 | -40 | 175.1 | -69.8 | 164.4 | 0 | 0 | 0 | 111 | F301 L308 L309 | F301-I305 WeakPolarHBondContact O-CB 3.4Å; F301-I305 WeakPolarHBondContact O-CD1 3.34Å; F301-I305 VanDerWaalsContact O-CG1 3.23Å; F301-I305 WeakPolarHBondContact O-CG1 3.49Å; F301-I305 PolarHBondContact O-N 3.18Å; I305-L308 PolarHBondContact O-N 2.79Å; I305-L309 WeakPolarHBondContact O-CB 3.46Å; I305-L309 PolarHBondContact O-N 2.85Å |
| 306 | K | 93.4 | Very high | 84.3 | Confident | 132 Ų | 132 | 104.9 Ų | 104.9 | 57% | 0.574 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -63.5 | -40.4 | 173.5 | -74.7 | 172.4 | 178.7 | -173.8 | 0 | 112.3 | S302 L303 L309 L310 | S302-K306 WeakPolarHBondContact O-CB 3.47Å; S302-K306 VanDerWaalsContact O-CG 3.26Å; S302-K306 WeakPolarHBondContact O-CG 3.13Å; S302-K306 PolarHBondContact O-N 2.67Å; L303-K306 PolarHBondContact O-N 2.91Å; K306-L309 PolarHBondContact O-N 3.47Å; K306-L310 WeakPolarHBondContact O-CB 3.26Å; K306-L310 PolarHBondContact O-N 2.85Å |
| 307 | L | 95.9 | Very high | 86.3 | Confident | 104 Ų | 104 | 106.7 Ų | 106.7 | 55% | 0.545 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -67.3 | -42.1 | 176.5 | -168.2 | 157.4 | 0 | 0 | 0 | 111.1 | L303 L304 L310 V311 | L303-L307 WeakPolarHBondContact O-CB 3.43Å; L303-L307 PolarHBondContact O-N 3.33Å; L304-L307 PolarHBondContact O-N 2.85Å; L307-L310 WeakPolarHBondContact O-CB 3.24Å; L307-L310 PolarHBondContact O-N 2.99Å; L307-V311 HydrophobicContact CD2-CG2 3.97Å; L307-V311 WeakPolarHBondContact O-CG2 3.39Å; L307-V311 PolarHBondContact O-N 3.13Å |
| 308 | L | 95.9 | Very high | 87.9 | Confident | 108 Ų | 108 | 104.6 Ų | 104.6 | 57% | 0.565 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -61.8 | -44.2 | 174.3 | -171.7 | 155.9 | 0 | 0 | 0 | 111.2 | L304 I305 L310 V311 V312 | L304-L308 WeakPolarHBondContact O-CB 3.23Å; L304-L308 PolarHBondContact O-N 3.35Å; I305-L308 PolarHBondContact O-N 2.79Å; L308-L310 VanDerWaalsContact C-N 3.33Å; L308-L310 PolarHBondContact O-N 3.3Å; L308-V311 PolarHBondContact O-N 3.41Å; L308-V312 HydrophobicContact CD2-CG2 4.08Å; L308-V312 WeakPolarHBondContact O-CG2 3.43Å; L308-V312 PolarHBondContact O-N 3.35Å |
| 309 | L | 96.2 | Very high | 89.5 | Confident | 105 Ų | 105 | 101.4 Ų | 101.4 | 55% | 0.55 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -59.1 | -42.3 | 172.1 | -97.2 | 166.1 | 0 | 0 | 0 | 112.3 | I305 K306 V312 V313 | I305-L309 WeakPolarHBondContact O-CB 3.46Å; I305-L309 PolarHBondContact O-N 2.85Å; K306-L309 PolarHBondContact O-N 3.47Å; L309-V312 PolarHBondContact O-N 2.82Å; L309-V313 WeakPolarHBondContact O-CG2 3.45Å; L309-V313 PolarHBondContact O-N 3.25Å |
| 310 | L | 96.5 | Very high | 90.7 | Very high | 108 Ų | 108 | 101.2 Ų | 101.2 | 57% | 0.565 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62.4 | -42.6 | 175.3 | -173.9 | 154.8 | 0 | 0 | 0 | 111.5 | K306 L307 L308 V313 V314 | K306-L310 WeakPolarHBondContact O-CB 3.26Å; K306-L310 PolarHBondContact O-N 2.85Å; L307-L310 WeakPolarHBondContact O-CB 3.24Å; L307-L310 PolarHBondContact O-N 2.99Å; L308-L310 VanDerWaalsContact C-N 3.33Å; L308-L310 PolarHBondContact O-N 3.3Å; L310-V313 PolarHBondContact O-N 3.12Å; L310-V314 HydrophobicContact CD2-CG2 3.95Å; L310-V314 WeakPolarHBondContact O-CB 3.45Å; L310-V314 WeakPolarHBondContact O-CG2 3.35Å; L310-V314 PolarHBondContact O-N 2.91Å |
| 311 | V | 96.9 | Very high | 91.9 | Very high | 87 Ų | 87 | 102.2 Ų | 102.2 | 53% | 0.527 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.1 | -38.6 | 175.1 | 170.6 | 0 | 0 | 0 | 0 | 111.6 | L307 L308 G315 | L307-V311 HydrophobicContact CD2-CG2 3.97Å; L307-V311 WeakPolarHBondContact O-CG2 3.39Å; L307-V311 PolarHBondContact O-N 3.13Å; L308-V311 PolarHBondContact O-N 3.41Å; V311-G315 PolarHBondContact O-N 3.33Å |
| 312 | V | 97.3 | Very high | 92.8 | Very high | 84 Ų | 84 | 102.1 Ų | 102.1 | 51% | 0.509 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.5 | -41 | 173.4 | 170.5 | 0 | 0 | 0 | 0 | 111.4 | L308 L309 S316 | L308-V312 HydrophobicContact CD2-CG2 4.08Å; L308-V312 WeakPolarHBondContact O-CG2 3.43Å; L308-V312 PolarHBondContact O-N 3.35Å; L309-V312 PolarHBondContact O-N 2.82Å; V312-S316 WeakPolarHBondContact O-CB 3.36Å; V312-S316 PolarHBondContact O-N 2.77Å |
| 313 | V | 97.4 | Very high | 92.9 | Very high | 92 Ų | 92 | 104.1 Ų | 104.1 | 56% | 0.558 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -66.2 | -46.3 | 176.2 | 169.5 | 0 | 0 | 0 | 0 | 111.4 | L309 L310 S316 L317 | L309-V313 WeakPolarHBondContact O-CG2 3.45Å; L309-V313 PolarHBondContact O-N 3.25Å; L310-V313 PolarHBondContact O-N 3.12Å; V313-S316 PolarHBondContact O-N 3.36Å; V313-L317 WeakPolarHBondContact O-CB 3.4Å; V313-L317 PolarHBondContact O-N 3.25Å |
| 314 | V | 96.6 | Very high | 92.6 | Very high | 84 Ų | 84 | 102.2 Ų | 102.2 | 51% | 0.509 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -66.4 | -40.2 | 177.5 | 173.3 | 0 | 0 | 0 | 0 | 111.2 | L310 L317 Y318 | L310-V314 HydrophobicContact CD2-CG2 3.95Å; L310-V314 WeakPolarHBondContact O-CB 3.45Å; L310-V314 WeakPolarHBondContact O-CG2 3.35Å; L310-V314 PolarHBondContact O-N 2.91Å; V314-L317 PolarHBondContact O-N 2.74Å; V314-Y318 WeakPolarHBondContact O-CB 3.47Å; V314-Y318 PolarHBondContact O-N 3.42Å |
| 315 | G | 96.3 | Very high | 92.1 | Very high | 39 Ų | 39 | 99.3 Ų | 99.3 | 40% | 0.402 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.3 | -39.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | V311 Y319 | V311-G315 PolarHBondContact O-N 3.33Å; G315-Y319 VanDerWaalsContact O-CB 3.29Å; G315-Y319 WeakPolarHBondContact O-CB 3.4Å; G315-Y319 PolarHBondContact O-N 3.33Å |
| 316 | S | 93.9 | Very high | 91.4 | Very high | 73 Ų | 73 | 98 Ų | 98 | 51% | 0.51 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66.1 | -40.6 | 173.2 | -173.7 | 0 | 0 | 0 | 0 | 111.9 | V312 V313 Y319 A320 | V312-S316 WeakPolarHBondContact O-CB 3.36Å; V312-S316 PolarHBondContact O-N 2.77Å; V313-S316 PolarHBondContact O-N 3.36Å; S316-Y319 PolarHBondContact O-N 2.85Å; S316-A320 WeakPolarHBondContact O-CB 3.4Å; S316-A320 PolarHBondContact O-N 2.72Å |
| 317 | L | 92.5 | Very high | 90.8 | Very high | 124 Ų | 124 | 97.3 Ų | 97.3 | 65% | 0.649 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -68.6 | -38 | 177.2 | -162.3 | 71.9 | 0 | 0 | 0 | 111.9 | V313 V314 A320 Y321 | V313-L317 WeakPolarHBondContact O-CB 3.4Å; V313-L317 PolarHBondContact O-N 3.25Å; V314-L317 PolarHBondContact O-N 2.74Å; L317-A320 PolarHBondContact O-N 3.2Å; L317-Y321 WeakPolarHBondContact O-CB 3.38Å; L317-Y321 PolarHBondContact O-N 3.09Å |
| 318 | Y | 93.9 | Very high | 90.1 | Very high | 148 Ų | 148 | 97.7 Ų | 97.7 | 58% | 0.58 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -66.5 | -42.6 | 171.6 | -178.4 | -99.9 | 0 | 0 | 0 | 111.6 | V314 Y321 Q322 | V314-Y318 WeakPolarHBondContact O-CB 3.47Å; V314-Y318 PolarHBondContact O-N 3.42Å; Y318-Y321 PolarHBondContact O-N 2.91Å; Y318-Q322 HydrophobicContact CD1-CG 4.14Å; Y318-Q322 HydrophobicContact CE1-CG 3.8Å; Y318-Q322 HydrophobicContact CE2-CG 4.28Å; Y318-Q322 WeakPolarHBondContact O-CB 3.36Å; Y318-Q322 VanDerWaalsContact O-CG 3.24Å; Y318-Q322 WeakPolarHBondContact O-CG 3.34Å; Y318-Q322 PolarHBondContact O-N 3.46Å |
| 319 | Y | 93.8 | Very high | 89.4 | Confident | 161 Ų | 161 | 95 Ų | 95 | 63% | 0.631 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.6 | -42.4 | 173.8 | -178.7 | -97.8 | 0 | 0 | 0 | 111.6 | G315 S316 Q322 N323 | G315-Y319 VanDerWaalsContact O-CB 3.29Å; G315-Y319 WeakPolarHBondContact O-CB 3.4Å; G315-Y319 PolarHBondContact O-N 3.33Å; S316-Y319 PolarHBondContact O-N 2.85Å; Y319-Q322 PolarHBondContact O-N 2.81Å; Y319-N323 WeakPolarHBondContact CE2-ND2 3.18Å; Y319-N323 PolarHBondContact O-N 3.12Å; Y319-N323 VanDerWaalsContact O-N 3.13Å; Y319-N323 PolarHBondContact O-ND2 2.88Å |
| 320 | A | 88.3 | Confident | 88.9 | Confident | 42 Ų | 42 | 94 Ų | 94 | 35% | 0.347 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.2 | -48.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111 | S316 L317 Q322 N323 L324 | S316-A320 WeakPolarHBondContact O-CB 3.4Å; S316-A320 PolarHBondContact O-N 2.72Å; L317-A320 PolarHBondContact O-N 3.2Å; A320-Q322 PolarHBondContact O-N 3.28Å; A320-N323 CarbonylContact O-C 3.49Å; A320-N323 PolarHBondContact O-N 3.43Å; A320-N323 VanDerWaalsContact O-N 3.12Å; A320-L324 WeakPolarHBondContact O-CB 3.37Å; A320-L324 PolarHBondContact O-N 3.17Å |
| 321 | Y | 87.2 | Confident | 88.4 | Confident | 158 Ų | 158 | 94.1 Ų | 94.1 | 62% | 0.62 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -56.4 | -45.3 | 175.7 | 179.6 | -91.8 | 0 | 0 | 0 | 112.6 | L317 Y318 N323 L324 | L317-Y321 WeakPolarHBondContact O-CB 3.38Å; L317-Y321 PolarHBondContact O-N 3.09Å; Y318-Y321 PolarHBondContact O-N 2.91Å; Y321-N323 PolarHBondContact O-N 2.86Å; Y321-L324 PolarHBondContact O-N 3.5Å |
| 322 | Q | 87.1 | Confident | 87.6 | Confident | 116 Ų | 116 | 95.2 Ų | 95.2 | 54% | 0.542 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -69 | -17.7 | 178.9 | -68.7 | -70.4 | 103.7 | 0 | 0 | 114 | Y318 Y319 A320 | Y318-Q322 HydrophobicContact CD1-CG 4.14Å; Y318-Q322 HydrophobicContact CE1-CG 3.8Å; Y318-Q322 HydrophobicContact CE2-CG 4.28Å; Y318-Q322 WeakPolarHBondContact O-CB 3.36Å; Y318-Q322 VanDerWaalsContact O-CG 3.24Å; Y318-Q322 WeakPolarHBondContact O-CG 3.34Å; Y318-Q322 PolarHBondContact O-N 3.46Å; Y319-Q322 PolarHBondContact O-N 2.81Å; A320-Q322 PolarHBondContact O-N 3.28Å |
| 323 | N | 83.5 | Confident | 87 | Confident | 98 Ų | 98 | 96.2 Ų | 96.2 | 52% | 0.524 | 51% | 0.509 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | 3.5 | 175.9 | -69.9 | -84.3 | 0 | 0 | 0 | 113 | Y319 A320 Y321 | Y319-N323 WeakPolarHBondContact CE2-ND2 3.18Å; Y319-N323 PolarHBondContact O-N 3.12Å; Y319-N323 VanDerWaalsContact O-N 3.13Å; Y319-N323 PolarHBondContact O-ND2 2.88Å; A320-N323 CarbonylContact O-C 3.49Å; A320-N323 PolarHBondContact O-N 3.43Å; A320-N323 VanDerWaalsContact O-N 3.12Å; Y321-N323 PolarHBondContact O-N 2.86Å |
| 324 | L | 79.9 | Confident | 86.5 | Confident | 69 Ų | 69 | 93.9 Ų | 93.9 | 36% | 0.361 | 50% | 0.503 | S | S | . | . | trans | -85.9 | 118.4 | -176.6 | -134.1 | 57.8 | 0 | 0 | 0 | 109.8 | A320 Y321 I329 | A320-L324 WeakPolarHBondContact O-CB 3.37Å; A320-L324 PolarHBondContact O-N 3.17Å; Y321-L324 PolarHBondContact O-N 3.5Å; L324-I329 HydrophobicContact CB-CD1 4.28Å; L324-I329 HydrophobicContact CB-CG1 4.27Å; L324-I329 HydrophobicContact CD2-CD1 4.14Å; L324-I329 HydrophobicContact CD2-CG1 3.59Å; L324-I329 HydrophobicContact CG-CD1 4.38Å; L324-I329 HydrophobicContact CG-CG1 3.84Å | ||
| 325 | S | 79 | Confident | 86 | Confident | 45 Ų | 45 | 95.5 Ų | 95.5 | 32% | 0.315 | 51% | 0.508 | S | S | . | . | trans | -75.3 | 149.8 | 168.3 | 78.5 | 0 | 0 | 0 | 0 | 110.3 | D327 Q328 I329 | S325-D327 WeakPolarHBondContact CB-OD2 3.46Å; S325-D327 PolarHBondContact O-N 2.8Å; S325-D327 PolarHBondContact OG-OD2 3.43Å; S325-Q328 PolarHBondContact O-N 2.99Å; S325-I329 PolarHBondContact O-N 2.8Å | ||
| 326 | S | 77.9 | Confident | 85.5 | Confident | 81 Ų | 81 | 98.8 Ų | 98.8 | 57% | 0.566 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -53 | -37.8 | 177.6 | -52.7 | 0 | 0 | 0 | 0 | 112.1 | Q328 I329 D330 | S326-Q328 VanDerWaalsContact C-N 3.3Å; S326-Q328 PolarHBondContact O-N 3.38Å; S326-I329 WeakPolarHBondContact O-CB 3.29Å; S326-I329 PolarHBondContact O-N 2.89Å; S326-I329 VanDerWaalsContact O-N 3.09Å; S326-D330 PolarHBondContact O-N 2.8Å |
| 327 | D | 80.1 | Confident | 85.2 | Confident | 117 Ų | 117 | 99.7 Ų | 99.7 | 63% | 0.626 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -59.9 | -39 | 179.2 | -23.5 | -68.2 | 0 | 0 | 0 | 112 | S325 V331 | S325-D327 WeakPolarHBondContact CB-OD2 3.46Å; S325-D327 PolarHBondContact O-N 2.8Å; S325-D327 PolarHBondContact OG-OD2 3.43Å; D327-V331 WeakPolarHBondContact O-CB 3.36Å; D327-V331 VanDerWaalsContact O-CG2 3.26Å; D327-V331 WeakPolarHBondContact O-CG2 3.37Å; D327-V331 PolarHBondContact O-N 2.92Å |
| 328 | Q | 81.4 | Confident | 85 | Confident | 113 Ų | 113 | 96.9 Ų | 96.9 | 53% | 0.528 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -71.7 | -35.9 | 176.1 | -65 | -178.7 | 16.7 | 0 | 0 | 111.9 | S325 S326 L332 | S325-Q328 PolarHBondContact O-N 2.99Å; S326-Q328 VanDerWaalsContact C-N 3.3Å; S326-Q328 PolarHBondContact O-N 3.38Å; Q328-L332 VanDerWaalsContact O-CB 3.29Å; Q328-L332 WeakPolarHBondContact O-CB 3.35Å; Q328-L332 PolarHBondContact O-N 3.39Å |
| 329 | I | 82.8 | Confident | 84.7 | Confident | 50 Ų | 50 | 94.1 Ų | 94.1 | 26% | 0.256 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.5 | -45 | 175.2 | -65.1 | 171.8 | 0 | 0 | 0 | 110.2 | L324 S325 S326 L332 K333 | L324-I329 HydrophobicContact CB-CD1 4.28Å; L324-I329 HydrophobicContact CB-CG1 4.27Å; L324-I329 HydrophobicContact CD2-CD1 4.14Å; L324-I329 HydrophobicContact CD2-CG1 3.59Å; L324-I329 HydrophobicContact CG-CD1 4.38Å; L324-I329 HydrophobicContact CG-CG1 3.84Å; S325-I329 PolarHBondContact O-N 2.8Å; S326-I329 WeakPolarHBondContact O-CB 3.29Å; S326-I329 PolarHBondContact O-N 2.89Å; S326-I329 VanDerWaalsContact O-N 3.09Å; I329-L332 PolarHBondContact O-N 3.32Å; I329-K333 HydrophobicContact CG2-CD 4.44Å; I329-K333 WeakPolarHBondContact O-CG 3.27Å; I329-K333 PolarHBondContact O-N 2.96Å |
| 330 | D | 84.2 | Confident | 84.5 | Confident | 86 Ų | 86 | 88.7 Ų | 88.7 | 46% | 0.46 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -77.2 | -31 | -175.9 | -66.7 | -28.1 | 0 | 0 | 0 | 112.5 | S326 K333 G334 | S326-D330 PolarHBondContact O-N 2.8Å; D330-K333 IonicContact OD1-NZ 3.63Å; D330-K333 PolarHBondContact OD1-NZ 3.01Å; D330-G334 PolarHBondContact O-N 3.27Å |
| 331 | V | 85.9 | Confident | 84.5 | Confident | 110 Ų | 110 | 90.7 Ų | 90.7 | 67% | 0.667 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.1 | -42.4 | 165 | 167.8 | 0 | 0 | 0 | 0 | 111.3 | D327 G334 L335 | D327-V331 WeakPolarHBondContact O-CB 3.36Å; D327-V331 VanDerWaalsContact O-CG2 3.26Å; D327-V331 WeakPolarHBondContact O-CG2 3.37Å; D327-V331 PolarHBondContact O-N 2.92Å; V331-G334 PolarHBondContact O-N 2.99Å; V331-L335 WeakPolarHBondContact O-CB 3.39Å; V331-L335 PolarHBondContact O-N 2.89Å |
| 332 | L | 81.5 | Confident | 84.6 | Confident | 109 Ų | 109 | 86.5 Ų | 86.5 | 57% | 0.571 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -68.9 | -38.3 | 178.8 | -176.1 | 61.4 | 0 | 0 | 0 | 112.4 | Q328 I329 L335 L336 | Q328-L332 VanDerWaalsContact O-CB 3.29Å; Q328-L332 WeakPolarHBondContact O-CB 3.35Å; Q328-L332 PolarHBondContact O-N 3.39Å; I329-L332 PolarHBondContact O-N 3.32Å; L332-L335 PolarHBondContact O-N 3Å; L332-L336 WeakPolarHBondContact O-CB 3.32Å; L332-L336 PolarHBondContact O-N 2.86Å |
| 333 | K | 83.1 | Confident | 84.6 | Confident | 106 Ų | 106 | 85 Ų | 85 | 46% | 0.461 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.3 | -48.5 | 170.1 | -72.4 | 174.4 | -166.4 | 151.8 | 0 | 111.3 | I329 D330 L335 L336 D337 | I329-K333 HydrophobicContact CG2-CD 4.44Å; I329-K333 WeakPolarHBondContact O-CG 3.27Å; I329-K333 PolarHBondContact O-N 2.96Å; D330-K333 IonicContact OD1-NZ 3.63Å; D330-K333 PolarHBondContact OD1-NZ 3.01Å; K333-L335 VanDerWaalsContact C-N 3.27Å; K333-L335 PolarHBondContact O-N 3.47Å; K333-L336 CarbonylContact O-C 3.58Å; K333-L336 WeakPolarHBondContact O-CA 3.5Å; K333-L336 WeakPolarHBondContact O-CB 3.41Å; K333-L336 PolarHBondContact O-N 3.3Å; K333-D337 PolarHBondContact O-N 3.09Å |
| 334 | G | 87.9 | Confident | 84.6 | Confident | 42 Ų | 42 | 85.4 Ų | 85.4 | 43% | 0.433 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59.2 | -38.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | D330 V331 A338 | D330-G334 PolarHBondContact O-N 3.27Å; V331-G334 PolarHBondContact O-N 2.99Å; G334-A338 WeakPolarHBondContact O-CB 3.43Å; G334-A338 PolarHBondContact O-N 3.23Å |
| 335 | L | 86.3 | Confident | 84.8 | Confident | 118 Ų | 118 | 84.7 Ų | 84.7 | 62% | 0.618 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -67.4 | -38.4 | 172.6 | -170.8 | 71.3 | 0 | 0 | 0 | 112.3 | V331 L332 K333 V339 | V331-L335 WeakPolarHBondContact O-CB 3.39Å; V331-L335 PolarHBondContact O-N 2.89Å; L332-L335 PolarHBondContact O-N 3Å; K333-L335 VanDerWaalsContact C-N 3.27Å; K333-L335 PolarHBondContact O-N 3.47Å; L335-V339 PolarHBondContact O-N 3.03Å |
| 336 | L | 84.6 | Confident | 85.1 | Confident | 108 Ų | 108 | 85.2 Ų | 85.2 | 57% | 0.565 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -69 | -48.3 | 178.6 | -169.7 | 67.9 | 0 | 0 | 0 | 111.4 | L332 K333 A338 V339 V340 | L332-L336 WeakPolarHBondContact O-CB 3.32Å; L332-L336 PolarHBondContact O-N 2.86Å; K333-L336 CarbonylContact O-C 3.58Å; K333-L336 WeakPolarHBondContact O-CA 3.5Å; K333-L336 WeakPolarHBondContact O-CB 3.41Å; K333-L336 PolarHBondContact O-N 3.3Å; L336-A338 VanDerWaalsContact C-N 3.3Å; L336-A338 PolarHBondContact O-N 3.34Å; L336-V339 PolarHBondContact O-N 3.17Å; L336-V340 HydrophobicContact CD1-CG2 4.21Å; L336-V340 HydrophobicContact CG-CG2 4.06Å; L336-V340 WeakPolarHBondContact O-CB 3.36Å; L336-V340 WeakPolarHBondContact O-CG2 3.34Å; L336-V340 PolarHBondContact O-N 2.9Å |
| 337 | D | 88.8 | Confident | 85.5 | Confident | 92 Ų | 92 | 85.9 Ų | 85.9 | 49% | 0.492 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.4 | -38.5 | 176.8 | -71.8 | -18.5 | 0 | 0 | 0 | 111.3 | K333 V339 V340 V341 | K333-D337 PolarHBondContact O-N 3.09Å; D337-V339 PolarHBondContact O-N 2.83Å; D337-V339 VanDerWaalsContact O-N 3.14Å; D337-V340 PolarHBondContact O-N 3.5Å; D337-V341 WeakPolarHBondContact O-CB 3.33Å; D337-V341 WeakPolarHBondContact O-CG2 3.41Å; D337-V341 PolarHBondContact O-N 2.98Å |
| 338 | A | 88.9 | Confident | 85.8 | Confident | 65 Ų | 65 | 86 Ų | 86 | 54% | 0.537 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.5 | -16.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | G334 L336 P342 | G334-A338 WeakPolarHBondContact O-CB 3.43Å; G334-A338 PolarHBondContact O-N 3.23Å; L336-A338 VanDerWaalsContact C-N 3.3Å; L336-A338 PolarHBondContact O-N 3.34Å; A338-P342 WeakPolarHBondContact O-CD 3.46Å; A338-P342 WeakPolarHBondContact O-CG 3.38Å |
| 339 | V | 87.8 | Confident | 86 | Confident | 90 Ų | 90 | 85 Ų | 85 | 55% | 0.545 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -103.2 | -39.2 | 173 | 177.2 | 0 | 0 | 0 | 0 | 111.5 | L335 L336 D337 V343 | L335-V339 PolarHBondContact O-N 3.03Å; L336-V339 PolarHBondContact O-N 3.17Å; D337-V339 PolarHBondContact O-N 2.83Å; D337-V339 VanDerWaalsContact O-N 3.14Å; V339-V343 VanDerWaalsContact O-CG2 3.28Å; V339-V343 WeakPolarHBondContact O-CG2 3.29Å; V339-V343 PolarHBondContact O-N 3.26Å |
| 340 | V | 88.3 | Confident | 86 | Confident | 47 Ų | 47 | 84.8 Ų | 84.8 | 29% | 0.285 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -71.9 | -41.5 | -177 | 170.6 | 0 | 0 | 0 | 0 | 112 | L336 D337 V343 Q344 | L336-V340 HydrophobicContact CD1-CG2 4.21Å; L336-V340 HydrophobicContact CG-CG2 4.06Å; L336-V340 WeakPolarHBondContact O-CB 3.36Å; L336-V340 WeakPolarHBondContact O-CG2 3.34Å; L336-V340 PolarHBondContact O-N 2.9Å; D337-V340 PolarHBondContact O-N 3.5Å; V340-V343 PolarHBondContact O-N 3.44Å; V340-Q344 HydrophobicContact CG1-CG 4.04Å; V340-Q344 WeakPolarHBondContact O-CB 3.42Å; V340-Q344 WeakPolarHBondContact O-CG 3.28Å; V340-Q344 PolarHBondContact O-N 2.71Å |
| 341 | V | 89.4 | Confident | 85.9 | Confident | 84 Ų | 84 | 82 Ų | 82 | 51% | 0.509 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.3 | -43.3 | -179.1 | 174.8 | 0 | 0 | 0 | 0 | 112.5 | D337 V343 S345 | D337-V341 WeakPolarHBondContact O-CB 3.33Å; D337-V341 WeakPolarHBondContact O-CG2 3.41Å; D337-V341 PolarHBondContact O-N 2.98Å; V341-V343 VanDerWaalsContact C-N 3.34Å; V341-V343 PolarHBondContact O-N 3.03Å; V341-S345 WeakPolarHBondContact O-CB 3.41Å; V341-S345 PolarHBondContact O-N 2.95Å; V341-S345 PolarHBondContact O-OG 3.05Å |
| 342 | P | 88.3 | Confident | 85.9 | Confident | 70 Ų | 70 | 82 Ų | 82 | 46% | 0.455 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.8 | -38.6 | 169.9 | -27.3 | 36.8 | 0 | 0 | 0 | 113.8 | A338 S345 A346 | A338-P342 WeakPolarHBondContact O-CD 3.46Å; A338-P342 WeakPolarHBondContact O-CG 3.38Å; P342-S345 WeakPolarHBondContact CA-OG 3.3Å; P342-S345 PolarHBondContact O-OG 2.93Å; P342-A346 VanDerWaalsContact O-CB 3.28Å; P342-A346 WeakPolarHBondContact O-CB 3.42Å; P342-A346 PolarHBondContact O-N 3.09Å |
| 343 | V | 86.3 | Confident | 85.7 | Confident | 84 Ų | 84 | 87.2 Ų | 87.2 | 51% | 0.509 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -71.1 | -41.3 | 179.3 | 170.8 | 0 | 0 | 0 | 0 | 111.6 | V339 V340 V341 A346 V347 | V339-V343 VanDerWaalsContact O-CG2 3.28Å; V339-V343 WeakPolarHBondContact O-CG2 3.29Å; V339-V343 PolarHBondContact O-N 3.26Å; V340-V343 PolarHBondContact O-N 3.44Å; V341-V343 VanDerWaalsContact C-N 3.34Å; V341-V343 PolarHBondContact O-N 3.03Å; V343-A346 PolarHBondContact O-N 2.9Å; V343-V347 WeakPolarHBondContact O-CG2 3.35Å; V343-V347 PolarHBondContact O-N 2.8Å |
| 344 | Q | 83.8 | Confident | 85.6 | Confident | 107 Ų | 107 | 88 Ų | 88 | 50% | 0.5 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.4 | -46.7 | 175.6 | -75.7 | 177.3 | -20.5 | 0 | 0 | 111.3 | V340 A346 V347 E348 | V340-Q344 HydrophobicContact CG1-CG 4.04Å; V340-Q344 WeakPolarHBondContact O-CB 3.42Å; V340-Q344 WeakPolarHBondContact O-CG 3.28Å; V340-Q344 PolarHBondContact O-N 2.71Å; Q344-A346 VanDerWaalsContact C-N 3.32Å; Q344-A346 PolarHBondContact O-N 3.13Å; Q344-V347 CarbonylContact O-C 3.58Å; Q344-V347 PolarHBondContact O-N 3.17Å; Q344-V347 VanDerWaalsContact O-N 3.09Å; Q344-E348 WeakPolarHBondContact O-CB 3.38Å; Q344-E348 WeakPolarHBondContact O-CG 3.48Å; Q344-E348 PolarHBondContact O-N 2.99Å |
| 345 | S | 83.9 | Confident | 84.8 | Confident | 55 Ų | 55 | 89.1 Ų | 89.1 | 39% | 0.385 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.2 | -31.9 | 176.4 | 53.9 | 0 | 0 | 0 | 0 | 113.2 | V341 P342 T349 | V341-S345 WeakPolarHBondContact O-CB 3.41Å; V341-S345 PolarHBondContact O-N 2.95Å; V341-S345 PolarHBondContact O-OG 3.05Å; P342-S345 WeakPolarHBondContact CA-OG 3.3Å; P342-S345 PolarHBondContact O-OG 2.93Å; S345-T349 WeakPolarHBondContact O-CB 3.47Å; S345-T349 WeakPolarHBondContact O-CG2 3.28Å; S345-T349 PolarHBondContact O-N 3.33Å; S345-T349 PolarHBondContact O-OG1 3.2Å |
| 346 | A | 85.9 | Confident | 83.9 | Confident | 56 Ų | 56 | 89.7 Ų | 89.7 | 46% | 0.463 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67 | -39 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | P342 V343 Q344 T349 A350 | P342-A346 VanDerWaalsContact O-CB 3.28Å; P342-A346 WeakPolarHBondContact O-CB 3.42Å; P342-A346 PolarHBondContact O-N 3.09Å; V343-A346 PolarHBondContact O-N 2.9Å; Q344-A346 VanDerWaalsContact C-N 3.32Å; Q344-A346 PolarHBondContact O-N 3.13Å; A346-T349 WeakPolarHBondContact CA-OG1 3.28Å; A346-T349 PolarHBondContact O-OG1 3.33Å; A346-T349 VanDerWaalsContact O-OG1 3.13Å; A346-A350 VanDerWaalsContact O-CB 3.3Å; A346-A350 WeakPolarHBondContact O-CB 3.39Å; A346-A350 PolarHBondContact O-N 2.79Å |
| 347 | V | 86.3 | Confident | 82.6 | Confident | 94 Ų | 94 | 86.2 Ų | 86.2 | 57% | 0.57 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -69.4 | -41 | 175.2 | 168.6 | 0 | 0 | 0 | 0 | 111.4 | V343 Q344 A350 A351 | V343-V347 WeakPolarHBondContact O-CG2 3.35Å; V343-V347 PolarHBondContact O-N 2.8Å; Q344-V347 CarbonylContact O-C 3.58Å; Q344-V347 PolarHBondContact O-N 3.17Å; Q344-V347 VanDerWaalsContact O-N 3.09Å; V347-A350 PolarHBondContact O-N 3.39Å; V347-A351 VanDerWaalsContact O-CB 3.27Å; V347-A351 WeakPolarHBondContact O-CB 3.34Å; V347-A351 PolarHBondContact O-N 3.5Å |
| 348 | E | 87.4 | Confident | 81.1 | Confident | 121 Ų | 121 | 85.5 Ų | 85.5 | 57% | 0.565 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -67.4 | -43.3 | 177.6 | -73.6 | 174.4 | -176.6 | 0 | 0 | 111.9 | Q344 A350 A351 N352 | Q344-E348 WeakPolarHBondContact O-CB 3.38Å; Q344-E348 WeakPolarHBondContact O-CG 3.48Å; Q344-E348 PolarHBondContact O-N 2.99Å; E348-A350 VanDerWaalsContact C-N 3.35Å; E348-A350 PolarHBondContact O-N 3.47Å; E348-A351 PolarHBondContact O-N 3.14Å; E348-N352 WeakPolarHBondContact O-CB 3.21Å; E348-N352 PolarHBondContact O-N 3.02Å; E348-N352 PolarHBondContact O-ND2 3.4Å |
| 349 | T | 85.8 | Confident | 79.4 | Confident | 91 Ų | 91 | 86.1 Ų | 86.1 | 56% | 0.558 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -64.4 | -38.9 | 174.7 | 47.6 | 0 | 0 | 0 | 0 | 111.9 | S345 A346 Y353 | S345-T349 WeakPolarHBondContact O-CB 3.47Å; S345-T349 WeakPolarHBondContact O-CG2 3.28Å; S345-T349 PolarHBondContact O-N 3.33Å; S345-T349 PolarHBondContact O-OG1 3.2Å; A346-T349 WeakPolarHBondContact CA-OG1 3.28Å; A346-T349 PolarHBondContact O-OG1 3.33Å; A346-T349 VanDerWaalsContact O-OG1 3.13Å; T349-Y353 WeakPolarHBondContact O-CB 3.48Å; T349-Y353 PolarHBondContact O-N 2.98Å |
| 350 | A | 82.3 | Confident | 77.4 | Confident | 46 Ų | 46 | 88.5 Ų | 88.5 | 38% | 0.38 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -65.3 | -43 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | A346 V347 E348 N352 Y353 L354 | A346-A350 VanDerWaalsContact O-CB 3.3Å; A346-A350 WeakPolarHBondContact O-CB 3.39Å; A346-A350 PolarHBondContact O-N 2.79Å; V347-A350 PolarHBondContact O-N 3.39Å; E348-A350 VanDerWaalsContact C-N 3.35Å; E348-A350 PolarHBondContact O-N 3.47Å; A350-N352 VanDerWaalsContact C-N 3.33Å; A350-N352 PolarHBondContact O-N 3.48Å; A350-Y353 PolarHBondContact O-N 3.19Å; A350-L354 WeakPolarHBondContact O-CB 3.49Å; A350-L354 VanDerWaalsContact O-CG 3.28Å; A350-L354 WeakPolarHBondContact O-CG 3.26Å; A350-L354 PolarHBondContact O-N 3.47Å |
| 351 | A | 82.6 | Confident | 75.2 | Confident | 26 Ų | 26 | 90.5 Ų | 90.5 | 22% | 0.215 | 58% | 0.576 | C | S | . | * | H | α-helix | trans | -65.5 | -35.2 | 178 | 0 | 0 | 0 | 0 | 0 | 112.6 | V347 E348 L354 G355 I356 G357 | V347-A351 VanDerWaalsContact O-CB 3.27Å; V347-A351 WeakPolarHBondContact O-CB 3.34Å; V347-A351 PolarHBondContact O-N 3.5Å; E348-A351 PolarHBondContact O-N 3.14Å; A351-L354 PolarHBondContact O-N 3.37Å; A351-G355 PolarHBondContact O-N 2.98Å; A351-G355 VanDerWaalsContact O-N 3.09Å; A351-I356 PolarHBondContact O-N 3.35Å; A351-G357 PolarHBondContact O-N 3.44Å |
| 352 | N | 85 | Confident | 73.1 | Confident | 112 Ų | 112 | 92.3 Ų | 92.3 | 60% | 0.599 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -69.4 | -41.4 | 172.6 | -71.5 | -27.9 | 0 | 0 | 0 | 111.5 | E348 A350 L354 G355 | E348-N352 WeakPolarHBondContact O-CB 3.21Å; E348-N352 PolarHBondContact O-N 3.02Å; E348-N352 PolarHBondContact O-ND2 3.4Å; A350-N352 VanDerWaalsContact C-N 3.33Å; A350-N352 PolarHBondContact O-N 3.48Å; N352-L354 VanDerWaalsContact C-N 3.28Å; N352-L354 PolarHBondContact O-N 3.07Å; N352-G355 PolarHBondContact O-N 3.47Å |
| 353 | Y | 76.4 | Confident | 70.8 | Confident | 217 Ų | 217 | 93.9 Ų | 93.9 | 85% | 0.851 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -66.1 | -29.8 | 175.1 | -163.1 | -89.9 | 0 | 0 | 0 | 112.8 | T349 A350 | T349-Y353 WeakPolarHBondContact O-CB 3.48Å; T349-Y353 PolarHBondContact O-N 2.98Å; A350-Y353 PolarHBondContact O-N 3.19Å |
| 354 | L | 81.2 | Confident | 68.7 | Low | 123 Ų | 123 | 94.2 Ų | 94.2 | 64% | 0.644 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87 | -4 | 175.3 | -69.2 | 167.4 | 0 | 0 | 0 | 113.9 | A350 A351 N352 I356 | A350-L354 WeakPolarHBondContact O-CB 3.49Å; A350-L354 VanDerWaalsContact O-CG 3.28Å; A350-L354 WeakPolarHBondContact O-CG 3.26Å; A350-L354 PolarHBondContact O-N 3.47Å; A351-L354 PolarHBondContact O-N 3.37Å; N352-L354 VanDerWaalsContact C-N 3.28Å; N352-L354 PolarHBondContact O-N 3.07Å; L354-I356 HydrophobicContact CB-CD1 3.91Å; L354-I356 HydrophobicContact CB-CG1 4.07Å; L354-I356 HydrophobicContact CD1-CD1 4.37Å; L354-I356 PolarHBondContact O-N 3.42Å |
| 355 | G | 71.7 | Confident | 66.9 | Low | 66 Ų | 66 | 94 Ų | 94 | 68% | 0.68 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 68 | 17.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | A351 N352 | A351-G355 PolarHBondContact O-N 2.98Å; A351-G355 VanDerWaalsContact O-N 3.09Å; N352-G355 PolarHBondContact O-N 3.47Å |
| 356 | I | 67.3 | Low | 64.9 | Low | 130 Ų | 130 | 98.8 Ų | 98.8 | 67% | 0.667 | 66% | 0.656 | S | S | * | * | trans | -88.5 | -20.4 | -178.4 | -62.7 | 172.8 | 0 | 0 | 0 | 111.3 | A351 L354 G358 | A351-I356 PolarHBondContact O-N 3.35Å; L354-I356 HydrophobicContact CB-CD1 3.91Å; L354-I356 HydrophobicContact CB-CG1 4.07Å; L354-I356 HydrophobicContact CD1-CD1 4.37Å; L354-I356 PolarHBondContact O-N 3.42Å; I356-G358 PolarHBondContact O-N 3.1Å; I356-G358 VanDerWaalsContact O-N 3.15Å | ||
| 357 | G | 57.3 | Low | 63.1 | Low | 34 Ų | 34 | 99.3 Ų | 99.3 | 35% | 0.351 | 67% | 0.667 | S | S | . | * | S | Bend | trans | -61 | 112.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | A351 G359 | A351-G357 PolarHBondContact O-N 3.44Å; G357-G359 PolarHBondContact O-N 3.37Å |
| 358 | G | 57.4 | Low | 61 | Low | 78 Ų | 78 | 100 Ų | 100 | 80% | 0.804 | 68% | 0.676 | S | S | * | * | trans | -60.4 | 108 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | I356 T360 | I356-G358 PolarHBondContact O-N 3.1Å; I356-G358 VanDerWaalsContact O-N 3.15Å; G358-T360 PolarHBondContact O-N 2.96Å | ||
| 359 | G | 52.7 | Low | 59.8 | Low | 77 Ų | 77 | 99.6 Ų | 99.6 | 79% | 0.794 | 68% | 0.684 | S | S | * | * | trans | -71.4 | 109.6 | -162.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | G357 A361 | G357-G359 PolarHBondContact O-N 3.37Å; G359-A361 PolarHBondContact O-N 3.17Å | ||
| 360 | T | 47.2 | Very low | 58 | Low | 140 Ų | 140 | 102.8 Ų | 102.8 | 86% | 0.859 | 70% | 0.698 | S | S | * | * | trans | -84.1 | 84.2 | 149.9 | 41.1 | 0 | 0 | 0 | 0 | 109 | G358 | G358-T360 PolarHBondContact O-N 2.96Š| ||
| 361 | A | 41.8 | Very low | 56.1 | Low | 89 Ų | 89 | 112 Ų | 112 | 74% | 0.736 | 74% | 0.741 | S | S | * | * | trans | -59.6 | 129.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | G359 A363 | G359-A361 PolarHBondContact O-N 3.17Å; A361-A363 PolarHBondContact O-N 3.45Å | ||
| 362 | P | 45.3 | Very low | 54.8 | Low | 122 Ų | 122 | 116.4 Ų | 116.4 | 79% | 0.792 | 77% | 0.767 | S | S | * | * | trans | -64.9 | 127.7 | 170.3 | 27.6 | -32.7 | 0 | 0 | 0 | 108.6 | A364 | P362-A364 PolarHBondContact O-N 3.31Š| ||
| 363 | A | 39.5 | Very low | 53.2 | Low | 104 Ų | 104 | 116.6 Ų | 116.6 | 86% | 0.86 | 78% | 0.776 | S | S | * | * | trans | -61.5 | 111.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 110 | A361 A365 | A361-A363 PolarHBondContact O-N 3.45Å; A363-A365 PolarHBondContact O-N 3.26Å | ||
| 364 | A | 41.3 | Very low | 51.9 | Low | 90 Ų | 90 | 111 Ų | 111 | 74% | 0.744 | 77% | 0.772 | S | S | * | * | trans | -65.3 | 121.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | P362 I366 | P362-A364 PolarHBondContact O-N 3.31Å; A364-I366 PolarHBondContact O-N 2.73Å | ||
| 365 | A | 46.1 | Very low | 50.2 | Low | 102 Ų | 102 | 110.3 Ų | 110.3 | 84% | 0.843 | 78% | 0.779 | S | S | * | * | trans | -67.1 | 108.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | A363 G367 | A363-A365 PolarHBondContact O-N 3.26Å; A365-G367 VanDerWaalsContact C-N 3.35Å; A365-G367 PolarHBondContact O-N 2.83Å | ||
| 366 | I | 43.3 | Very low | 48.8 | Very low | 156 Ų | 156 | 113.1 Ų | 113.1 | 80% | 0.8 | 79% | 0.785 | S | S | * | * | trans | -73.2 | 91.9 | 175.2 | -58.6 | 177.1 | 0 | 0 | 0 | 108 | A364 S368 | A364-I366 PolarHBondContact O-N 2.73Å; I366-S368 PolarHBondContact O-N 2.9Å | ||
| 367 | G | 46.3 | Very low | 47.6 | Very low | 68 Ų | 68 | 111.9 Ų | 111.9 | 70% | 0.701 | 79% | 0.793 | S | S | * | * | trans | -74.8 | 106 | 163.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | A365 P369 | A365-G367 VanDerWaalsContact C-N 3.35Å; A365-G367 PolarHBondContact O-N 2.83Å; G367-P369 WeakPolarHBondContact O-CD 3.43Å | ||
| 368 | S | 43 | Very low | 46.9 | Very low | 107 Ų | 107 | 117.5 Ų | 117.5 | 75% | 0.748 | 83% | 0.825 | S | S | * | * | trans | -68.1 | 130.2 | 174 | -57.8 | 0 | 0 | 0 | 0 | 111.1 | I366 | I366-S368 PolarHBondContact O-N 2.9Š| ||
| 369 | P | 62.5 | Low | 46.1 | Very low | 113 Ų | 113 | 120.5 Ų | 120.5 | 73% | 0.734 | 83% | 0.826 | S | S | * | * | trans | -84.8 | 128.3 | 156.2 | 33.1 | -28.2 | 0 | 0 | 0 | 109.8 | G367 | G367-P369 WeakPolarHBondContact O-CD 3.43Š| ||
| 370 | D | 48.7 | Very low | 45.5 | Very low | 159 Ų | 159 | 124.2 Ų | 124.2 | 85% | 0.85 | 83% | 0.829 | S | S | * | * | trans | 179.1 | 136.1 | 142.7 | -96.9 | -21 | 0 | 0 | 0 | 111.4 | ||||
| 371 | N | 41.4 | Very low | 45.4 | Very low | 240 Ų | 240 | 122.7 Ų | 122.7 | 100% | 1.283 | 83% | 0.826 | S | S | * | * | trans | 44.9 | 0 | 175.3 | -74.8 | -54.4 | 0 | 0 | 0 | 118.3 |
Retrieved 371 of 371 residues in 288.4 ms
(Link to these results)