| 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 | 46.9 | Very low | 85.5 | Confident | 206 Ų | 206 | 70.7 Ų | 70.7 | 100% | 1.015 | 34% | 0.34 | S | S | * | . | 0 | 150.5 | 0 | -61 | 178.4 | -152.5 | 0 | 0 | 107.4 | L3 | M1-L3 PolarHBondContact O-N 3.43Š| |||
| 2 | N | 71.1 | Confident | 86.2 | Confident | 70 Ų | 70 | 73.4 Ų | 73.4 | 37% | 0.374 | 35% | 0.351 | S | S | . | . | trans | -64.1 | 131.5 | 168.7 | -176.4 | -24.5 | 0 | 0 | 0 | 108 | C4 A5 Q6 D46 | N2-C4 VanDerWaalsContact C-N 3.31Å; N2-C4 PolarHBondContact O-N 3.12Å; N2-C4 PolarHBondContact OD1-N 3.32Å; N2-A5 HydrophobicContact CB-CB 4.1Å; N2-A5 WeakPolarHBondContact O-CB 3.4Å; N2-A5 PolarHBondContact O-N 3.38Å; N2-A5 VanDerWaalsContact O-N 3.12Å; N2-Q6 PolarHBondContact O-N 2.91Å; N2-D46 PolarHBondContact ND2-OD2 2.89Å; N2-D46 VanDerWaalsContact ND2-OD2 3.15Å | ||
| 3 | L | 86.6 | Confident | 86.6 | Confident | 90 Ų | 90 | 72.2 Ų | 72.2 | 47% | 0.471 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -59.5 | -41.7 | 179 | -178.2 | 60.8 | 0 | 0 | 0 | 111.4 | M1 A5 Q6 Y7 | M1-L3 PolarHBondContact O-N 3.43Å; L3-A5 VanDerWaalsContact C-N 3.25Å; L3-A5 PolarHBondContact O-N 3Å; L3-Q6 WeakPolarHBondContact O-CA 3.42Å; L3-Q6 WeakPolarHBondContact O-CB 3.43Å; L3-Q6 PolarHBondContact O-N 3.23Å; L3-Y7 HydrophobicContact CD1-CE1 3.93Å; L3-Y7 HydrophobicContact CD1-CE2 4.31Å; L3-Y7 HydrophobicContact CD2-CE2 4.03Å; L3-Y7 HydrophobicContact CG-CD2 4.32Å; L3-Y7 HydrophobicContact CG-CE1 4.22Å; L3-Y7 HydrophobicContact CG-CE2 3.69Å; L3-Y7 PolarHBondContact O-N 3.42Å |
| 4 | C | 87.5 | Confident | 87.1 | Confident | 2 Ų | 2 | 69.1 Ų | 69.1 | 1% | 0.014 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -67.9 | -23.6 | 176.6 | -66.2 | 0 | 0 | 0 | 0 | 112.8 | N2 Q6 Y7 L8 M42 T45 D46 Y49 | N2-C4 VanDerWaalsContact C-N 3.31Å; N2-C4 PolarHBondContact O-N 3.12Å; N2-C4 PolarHBondContact OD1-N 3.32Å; C4-Q6 VanDerWaalsContact C-N 3.31Å; C4-Y7 PolarHBondContact O-N 3.28Å; C4-L8 WeakPolarHBondContact O-CB 3.5Å; C4-L8 PolarHBondContact O-N 3.37Å; C4-M42 HydrophobicContact CB-CE 4.15Å; C4-M42 HydrophobicContact CB-CG 4.3Å; C4-M42 WeakPolarHBondContact O-CE 3.41Å; C4-T45 PolarHBondContact SG-OG1 3.29Å; C4-D46 HydrophobicContact CB-CB 4.48Å; C4-Y49 HydrophobicContact CB-CD1 3.5Å; C4-Y49 HydrophobicContact CB-CE1 3.77Å; C4-Y49 HydrophobicContact CB-CG 4.37Å |
| 5 | A | 89.8 | Confident | 87.4 | Confident | 28 Ų | 28 | 66.9 Ų | 66.9 | 23% | 0.231 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -79.4 | -10.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | N2 L3 R9 Y49 | N2-A5 HydrophobicContact CB-CB 4.1Å; N2-A5 WeakPolarHBondContact O-CB 3.4Å; N2-A5 PolarHBondContact O-N 3.38Å; N2-A5 VanDerWaalsContact O-N 3.12Å; L3-A5 VanDerWaalsContact C-N 3.25Å; L3-A5 PolarHBondContact O-N 3Å; A5-R9 PolarHBondContact O-NE 2.95Å; A5-Y49 WeakPolarHBondContact CB-OH 3.4Å |
| 6 | Q | 91.3 | Very high | 87.5 | Confident | 89 Ų | 89 | 66.1 Ų | 66.1 | 42% | 0.416 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -86.2 | -43.7 | 162.8 | 178.9 | 173.2 | -22.8 | 0 | 0 | 110.5 | N2 L3 C4 L8 R9 Q10 | N2-Q6 PolarHBondContact O-N 2.91Å; L3-Q6 WeakPolarHBondContact O-CA 3.42Å; L3-Q6 WeakPolarHBondContact O-CB 3.43Å; L3-Q6 PolarHBondContact O-N 3.23Å; C4-Q6 VanDerWaalsContact C-N 3.31Å; Q6-L8 PolarHBondContact O-N 2.97Å; Q6-R9 PolarHBondContact O-N 2.66Å; Q6-Q10 PolarHBondContact O-N 2.84Å; Q6-Q10 VanDerWaalsContact O-N 3.17Å |
| 7 | Y | 93.4 | Very high | 87.6 | Confident | 49 Ų | 49 | 64.8 Ų | 64.8 | 19% | 0.192 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -59.2 | -43.7 | 175.7 | -63.5 | -23.5 | 0 | 0 | 0 | 112.4 | L3 C4 R9 Q10 A11 L38 K41 M42 | L3-Y7 HydrophobicContact CD1-CE1 3.93Å; L3-Y7 HydrophobicContact CD1-CE2 4.31Å; L3-Y7 HydrophobicContact CD2-CE2 4.03Å; L3-Y7 HydrophobicContact CG-CD2 4.32Å; L3-Y7 HydrophobicContact CG-CE1 4.22Å; L3-Y7 HydrophobicContact CG-CE2 3.69Å; L3-Y7 PolarHBondContact O-N 3.42Å; C4-Y7 PolarHBondContact O-N 3.28Å; Y7-R9 VanDerWaalsContact C-N 3.35Å; Y7-R9 PolarHBondContact O-N 2.71Å; Y7-Q10 WeakPolarHBondContact O-CB 3.5Å; Y7-Q10 PolarHBondContact O-N 2.8Å; Y7-Q10 VanDerWaalsContact O-N 3.1Å; Y7-A11 WeakPolarHBondContact O-CB 3.43Å; Y7-A11 PolarHBondContact O-N 2.88Å; Y7-L38 HydrophobicContact CD1-CD1 3.48Å; Y7-L38 VanDerWaalsContact CD1-CD1 3.48Å; Y7-L38 HydrophobicContact CD2-CD1 4.43Å; Y7-L38 HydrophobicContact CE1-CD1 4.24Å; Y7-L38 HydrophobicContact CG-CD1 3.59Å; Y7-L38 WeakPolarHBondContact O-CD2 3.38Å; Y7-K41 HydrophobicContact CE2-CB 4.22Å; Y7-M42 HydrophobicContact CD2-CG 3.85Å; Y7-M42 HydrophobicContact CG-CG 4.26Å |
| 8 | L | 93.3 | Very high | 87.6 | Confident | 16 Ų | 16 | 63.2 Ų | 63.2 | 8% | 0.084 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -57.7 | -44.8 | 178 | -175.5 | 63.8 | 0 | 0 | 0 | 112.5 | C4 Q6 Q10 A11 E12 M42 K53 | C4-L8 WeakPolarHBondContact O-CB 3.5Å; C4-L8 PolarHBondContact O-N 3.37Å; Q6-L8 PolarHBondContact O-N 2.97Å; L8-Q10 VanDerWaalsContact C-N 3.3Å; L8-Q10 PolarHBondContact O-N 2.89Å; L8-A11 CarbonylContact O-C 3.54Å; L8-A11 WeakPolarHBondContact O-CB 3.18Å; L8-A11 PolarHBondContact O-N 2.82Å; L8-A11 VanDerWaalsContact O-N 3.12Å; L8-E12 WeakPolarHBondContact O-CG 3.45Å; L8-E12 PolarHBondContact O-N 3.24Å; L8-M42 HydrophobicContact CB-CE 3.93Å; L8-M42 HydrophobicContact CB-SD 4.47Å; L8-M42 HydrophobicContact CD1-CE 4.31Å; L8-K53 HydrophobicContact CD2-CB 4.33Å; L8-K53 HydrophobicContact CD2-CD 3.72Å; L8-K53 HydrophobicContact CD2-CG 3.98Å |
| 9 | R | 93.3 | Very high | 87.4 | Confident | 141 Ų | 141 | 65.8 Ų | 65.8 | 53% | 0.532 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -67.3 | -29.6 | 177.8 | -72.2 | -178.6 | -69.5 | 153.4 | 0.9 | 113.3 | A5 Q6 Y7 | A5-R9 PolarHBondContact O-NE 2.95Å; Q6-R9 PolarHBondContact O-N 2.66Å; Y7-R9 VanDerWaalsContact C-N 3.35Å; Y7-R9 PolarHBondContact O-N 2.71Å |
| 10 | Q | 93.7 | Very high | 87.3 | Confident | 87 Ų | 87 | 65.3 Ų | 65.3 | 41% | 0.407 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -72.9 | -37.7 | 171.5 | -71.9 | 173.2 | -28.2 | 0 | 0 | 110.9 | Q6 Y7 L8 A13 L14 L38 | Q6-Q10 PolarHBondContact O-N 2.84Å; Q6-Q10 VanDerWaalsContact O-N 3.17Å; Y7-Q10 WeakPolarHBondContact O-CB 3.5Å; Y7-Q10 PolarHBondContact O-N 2.8Å; Y7-Q10 VanDerWaalsContact O-N 3.1Å; L8-Q10 VanDerWaalsContact C-N 3.3Å; L8-Q10 PolarHBondContact O-N 2.89Å; Q10-A13 PolarHBondContact O-N 2.74Å; Q10-L14 WeakPolarHBondContact O-CG 3.42Å; Q10-L14 PolarHBondContact O-N 2.73Å; Q10-L14 VanDerWaalsContact O-N 3.1Å; Q10-L38 HydrophobicContact CB-CD2 3.66Å |
| 11 | A | 94.3 | Very high | 86.9 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -70.3 | -32.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y7 L8 A13 L14 K15 L35 L38 Y39 | Y7-A11 WeakPolarHBondContact O-CB 3.43Å; Y7-A11 PolarHBondContact O-N 2.88Å; L8-A11 CarbonylContact O-C 3.54Å; L8-A11 WeakPolarHBondContact O-CB 3.18Å; L8-A11 PolarHBondContact O-N 2.82Å; L8-A11 VanDerWaalsContact O-N 3.12Å; A11-A13 VanDerWaalsContact C-N 3.34Å; A11-L14 PolarHBondContact O-N 3.27Å; A11-K15 VanDerWaalsContact O-CB 3.29Å; A11-K15 WeakPolarHBondContact O-CB 3.46Å; A11-K15 WeakPolarHBondContact O-CG 3.26Å; A11-K15 PolarHBondContact O-N 3.47Å; A11-L35 HydrophobicContact CB-CD1 3.78Å; A11-L38 HydrophobicContact CB-CD2 3.81Å; A11-L38 HydrophobicContact CB-CG 4.41Å; A11-Y39 HydrophobicContact CB-CD1 4.08Å; A11-Y39 HydrophobicContact CB-CE1 3.37Å |
| 12 | E | 93 | Very high | 88.8 | Confident | 103 Ų | 103 | 66 Ų | 66 | 48% | 0.481 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61.8 | -38.6 | 171.6 | -75.7 | 166.7 | 171.3 | 0 | 0 | 112.2 | L8 K15 A16 | L8-E12 WeakPolarHBondContact O-CG 3.45Å; L8-E12 PolarHBondContact O-N 3.24Å; E12-K15 WeakPolarHBondContact O-CB 3.35Å; E12-A16 PolarHBondContact O-N 2.83Å |
| 13 | A | 91.7 | Very high | 89.5 | Confident | 57 Ų | 57 | 65.3 Ų | 65.3 | 47% | 0.471 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -68.4 | -51.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q10 A11 K15 A16 D17 | Q10-A13 PolarHBondContact O-N 2.74Å; A11-A13 VanDerWaalsContact C-N 3.34Å; A13-K15 PolarHBondContact O-N 2.84Å; A13-A16 WeakPolarHBondContact O-CB 3.43Å; A13-A16 PolarHBondContact O-N 2.85Å; A13-D17 PolarHBondContact O-N 3.42Å |
| 14 | L | 93.3 | Very high | 89.6 | Confident | 30 Ų | 30 | 62.6 Ų | 62.6 | 16% | 0.157 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -63.7 | -24.9 | 179.5 | -66.6 | 168.4 | 0 | 0 | 0 | 113.3 | Q10 A11 A34 L35 L38 | Q10-L14 WeakPolarHBondContact O-CG 3.42Å; Q10-L14 PolarHBondContact O-N 2.73Å; Q10-L14 VanDerWaalsContact O-N 3.1Å; A11-L14 PolarHBondContact O-N 3.27Å; L14-A34 HydrophobicContact CD1-CB 3.87Å; L14-A34 HydrophobicContact CD2-CB 4.23Å; L14-L35 HydrophobicContact CB-CB 4.17Å; L14-L35 HydrophobicContact CB-CD1 3.96Å; L14-L38 HydrophobicContact CD1-CD2 3.95Å |
| 15 | K | 91.6 | Very high | 89.4 | Confident | 36 Ų | 36 | 66.9 Ų | 66.9 | 16% | 0.157 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -63.2 | -42.6 | 167.5 | -95.4 | 164.8 | 154.6 | 156.6 | 0 | 112.1 | A11 E12 A13 D17 M18 L35 Y39 D58 H62 | A11-K15 VanDerWaalsContact O-CB 3.29Å; A11-K15 WeakPolarHBondContact O-CB 3.46Å; A11-K15 WeakPolarHBondContact O-CG 3.26Å; A11-K15 PolarHBondContact O-N 3.47Å; E12-K15 WeakPolarHBondContact O-CB 3.35Å; A13-K15 PolarHBondContact O-N 2.84Å; K15-D17 VanDerWaalsContact C-N 3.35Å; K15-M18 WeakPolarHBondContact O-CB 3.4Å; K15-M18 PolarHBondContact O-N 3.4Å; K15-L35 HydrophobicContact CG-CD1 4.47Å; K15-L35 HydrophobicContact CG-CD2 4.45Å; K15-Y39 VanDerWaalsContact CD-OH 3.28Å; K15-Y39 WeakPolarHBondContact CD-OH 3.34Å; K15-Y39 WeakPolarHBondContact CE-OH 3.2Å; K15-Y39 PolarHBondContact NZ-OH 3.19Å; K15-Y39 VanDerWaalsContact NZ-OH 3.11Å; K15-D58 VanDerWaalsContact CE-CG 3.46Å; K15-D58 IonicContact NZ-OD1 2.68Å; K15-D58 PolarHBondContact NZ-OD1 3.08Å; K15-D58 IonicContact NZ-OD2 3.96Å; K15-D58 PolarHBondContact NZ-OD2 2.86Å; K15-H62 HydrophobicContact CG-CB 4.39Å |
| 16 | A | 89.1 | Confident | 89.3 | Confident | 53 Ų | 53 | 69.1 Ų | 69.1 | 44% | 0.438 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -66.2 | -39.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111 | E12 A13 M18 T19 D20 | E12-A16 PolarHBondContact O-N 2.83Å; A13-A16 WeakPolarHBondContact O-CB 3.43Å; A13-A16 PolarHBondContact O-N 2.85Å; A16-M18 PolarHBondContact O-N 3.37Å; A16-M18 VanDerWaalsContact O-N 3.17Å; A16-T19 CarbonylContact O-C 3.46Å; A16-T19 WeakPolarHBondContact O-CA 3.44Å; A16-T19 PolarHBondContact O-N 2.97Å; A16-T19 PolarHBondContact O-OG1 3.11Å; A16-D20 PolarHBondContact O-N 3.28Å; A16-D20 VanDerWaalsContact O-N 3.11Å |
| 17 | D | 90.1 | Very high | 89.2 | Confident | 45 Ų | 45 | 70 Ų | 70 | 24% | 0.241 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -53.3 | -34.1 | 173.8 | -65.3 | -2.4 | 0 | 0 | 0 | 112.7 | A13 K15 T19 L23 S31 | A13-D17 PolarHBondContact O-N 3.42Å; K15-D17 VanDerWaalsContact C-N 3.35Å; D17-T19 PolarHBondContact O-N 2.98Å; D17-L23 HydrophobicContact CB-CD1 3.6Å; D17-S31 VanDerWaalsContact OD2-CB 3.25Å; D17-S31 WeakPolarHBondContact OD2-CB 3.35Å; D17-S31 PolarHBondContact OD2-OG 2.95Å |
| 18 | M | 86.4 | Confident | 89.1 | Confident | 36 Ų | 36 | 68.8 Ų | 68.8 | 18% | 0.177 | 40% | 0.398 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -8.7 | 177.4 | -56.5 | -59.4 | 93.4 | 0 | 0 | 113.3 | K15 A16 V28 R32 L35 | K15-M18 WeakPolarHBondContact O-CB 3.4Å; K15-M18 PolarHBondContact O-N 3.4Å; A16-M18 PolarHBondContact O-N 3.37Å; A16-M18 VanDerWaalsContact O-N 3.17Å; M18-V28 HydrophobicContact CE-CG1 3.98Å; M18-V28 WeakPolarHBondContact CE-O 3.42Å; M18-V28 HydrophobicContact SD-CG1 4.18Å; M18-R32 HydrophobicContact CE-CB 4.14Å; M18-R32 HydrophobicContact SD-CB 3.69Å; M18-R32 HydrophobicContact SD-CG 4.08Å; M18-L35 HydrophobicContact CG-CD2 4.25Å |
| 19 | T | 84 | Confident | 88.8 | Confident | 112 Ų | 112 | 73.4 Ų | 73.4 | 69% | 0.687 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128.9 | -5.5 | -176.2 | 58.5 | 0 | 0 | 0 | 0 | 114.4 | A16 D17 S21 | A16-T19 CarbonylContact O-C 3.46Å; A16-T19 WeakPolarHBondContact O-CA 3.44Å; A16-T19 PolarHBondContact O-N 2.97Å; A16-T19 PolarHBondContact O-OG1 3.11Å; D17-T19 PolarHBondContact O-N 2.98Å; T19-S21 PolarHBondContact O-N 3.22Å |
| 20 | D | 86.1 | Confident | 88.8 | Confident | 56 Ų | 56 | 71.1 Ų | 71.1 | 30% | 0.299 | 42% | 0.416 | S | S | . | . | trans | -79.4 | 110.3 | 175.6 | -165.7 | -10.3 | 0 | 0 | 0 | 110.7 | A16 K22 L23 | A16-D20 PolarHBondContact O-N 3.28Å; A16-D20 VanDerWaalsContact O-N 3.11Å; D20-K22 PolarHBondContact O-N 2.83Å; D20-K22 WeakPolarHBondContact OD1-CB 3.39Å; D20-K22 VanDerWaalsContact OD1-CG 3.31Å; D20-K22 WeakPolarHBondContact OD1-CG 3.48Å; D20-K22 PolarHBondContact OD1-N 3.43Å; D20-K22 IonicContact OD1-NZ 3.95Å; D20-K22 PolarHBondContact OD1-NZ 3.39Å; D20-K22 IonicContact OD2-NZ 2.94Å; D20-K22 PolarHBondContact OD2-NZ 3.43Å; D20-L23 HydrophobicContact CB-CD1 4.36Å; D20-L23 HydrophobicContact CB-CG 4.34Å; D20-L23 PolarHBondContact O-N 3.44Å; D20-L23 VanDerWaalsContact O-N 3.14Å | ||
| 21 | S | 79.6 | Confident | 88.8 | Confident | 123 Ų | 123 | 68 Ų | 68 | 86% | 0.86 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -3.1 | 177.7 | 56.4 | 0 | 0 | 0 | 0 | 114.7 | T19 | T19-S21 PolarHBondContact O-N 3.22Š|
| 22 | K | 86.9 | Confident | 88.8 | Confident | 163 Ų | 163 | 68.7 Ų | 68.7 | 71% | 0.709 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -21.1 | 172.1 | -60.9 | -178.4 | -137.4 | 73.7 | 0 | 114.1 | D20 | D20-K22 PolarHBondContact O-N 2.83Å; D20-K22 WeakPolarHBondContact OD1-CB 3.39Å; D20-K22 VanDerWaalsContact OD1-CG 3.31Å; D20-K22 WeakPolarHBondContact OD1-CG 3.48Å; D20-K22 PolarHBondContact OD1-N 3.43Å; D20-K22 IonicContact OD1-NZ 3.95Å; D20-K22 PolarHBondContact OD1-NZ 3.39Å; D20-K22 IonicContact OD2-NZ 2.94Å; D20-K22 PolarHBondContact OD2-NZ 3.43Å |
| 23 | L | 85.8 | Confident | 88.9 | Confident | 55 Ų | 55 | 68 Ų | 68 | 29% | 0.288 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -83.5 | 140 | -174.6 | -66.8 | 178 | 0 | 0 | 0 | 111.9 | D17 D20 E27 V28 | D17-L23 HydrophobicContact CB-CD1 3.6Å; D20-L23 HydrophobicContact CB-CD1 4.36Å; D20-L23 HydrophobicContact CB-CG 4.34Å; D20-L23 PolarHBondContact O-N 3.44Å; D20-L23 VanDerWaalsContact O-N 3.14Å; L23-E27 HydrophobicContact CB-CB 4.4Å; L23-E27 HydrophobicContact CD2-CB 4.47Å; L23-V28 HydrophobicContact CB-CG2 3.7Å |
| 24 | G | 87.6 | Confident | 89.1 | Confident | 34 Ų | 34 | 67.2 Ų | 67.2 | 35% | 0.351 | 40% | 0.397 | S | S | . | . | trans | -71.7 | 153.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | A26 E27 V28 | G24-A26 PolarHBondContact O-N 2.9Å; G24-A26 VanDerWaalsContact O-N 3.09Å; G24-E27 PolarHBondContact N-OE2 2.96Å; G24-E27 WeakPolarHBondContact O-CA 3.48Å; G24-E27 WeakPolarHBondContact O-CB 3.33Å; G24-E27 PolarHBondContact O-N 3.34Å; G24-V28 PolarHBondContact O-N 2.79Å | ||
| 25 | A | 83.4 | Confident | 89.2 | Confident | 92 Ų | 92 | 65.8 Ų | 65.8 | 76% | 0.76 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -55.7 | -32.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114 | W29 | A25-W29 WeakPolarHBondContact O-CB 3.41Å; A25-W29 PolarHBondContact O-N 3Å |
| 26 | A | 86.7 | Confident | 89.4 | Confident | 75 Ų | 75 | 64.9 Ų | 64.9 | 62% | 0.62 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -73.6 | -31 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | G24 T30 | G24-A26 PolarHBondContact O-N 2.9Å; G24-A26 VanDerWaalsContact O-N 3.09Å; A26-T30 WeakPolarHBondContact O-CB 3.4Å; A26-T30 PolarHBondContact O-N 3.13Å; A26-T30 PolarHBondContact O-OG1 3.49Å |
| 27 | E | 90.6 | Very high | 89.7 | Confident | 107 Ų | 107 | 66.1 Ų | 66.1 | 50% | 0.5 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -72.5 | -48.1 | 175.4 | -59.8 | 173.8 | 139.6 | 0 | 0 | 109.3 | L23 G24 W29 T30 S31 | L23-E27 HydrophobicContact CB-CB 4.4Å; L23-E27 HydrophobicContact CD2-CB 4.47Å; G24-E27 PolarHBondContact N-OE2 2.96Å; G24-E27 WeakPolarHBondContact O-CA 3.48Å; G24-E27 WeakPolarHBondContact O-CB 3.33Å; G24-E27 PolarHBondContact O-N 3.34Å; E27-W29 VanDerWaalsContact C-N 3.28Å; E27-W29 PolarHBondContact O-N 3.29Å; E27-T30 WeakPolarHBondContact O-CA 3.33Å; E27-T30 WeakPolarHBondContact O-CB 3.28Å; E27-T30 PolarHBondContact O-N 3.25Å; E27-S31 PolarHBondContact O-N 3.4Å |
| 28 | V | 90 | Very high | 90 | Very high | 24 Ų | 24 | 64.7 Ų | 64.7 | 15% | 0.145 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -59.4 | -37.7 | 172.8 | 179.9 | 0 | 0 | 0 | 0 | 111.5 | M18 L23 G24 R32 | M18-V28 HydrophobicContact CE-CG1 3.98Å; M18-V28 WeakPolarHBondContact CE-O 3.42Å; M18-V28 HydrophobicContact SD-CG1 4.18Å; L23-V28 HydrophobicContact CB-CG2 3.7Å; G24-V28 PolarHBondContact O-N 2.79Å; V28-R32 WeakPolarHBondContact O-CB 3.48Å; V28-R32 PolarHBondContact O-N 3.19Å |
| 29 | W | 87.6 | Confident | 90.5 | Very high | 113 Ų | 113 | 63 Ų | 63 | 43% | 0.428 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -61.8 | -43.6 | 171.6 | 179.8 | -95.9 | 0 | 0 | 0 | 112.3 | A25 E27 R32 Q33 F93 | A25-W29 WeakPolarHBondContact O-CB 3.41Å; A25-W29 PolarHBondContact O-N 3Å; E27-W29 VanDerWaalsContact C-N 3.28Å; E27-W29 PolarHBondContact O-N 3.29Å; W29-R32 WeakPolarHBondContact O-CB 3.21Å; W29-R32 PolarHBondContact O-N 2.95Å; W29-Q33 WeakPolarHBondContact O-CG 3.28Å; W29-Q33 PolarHBondContact O-N 3.22Å; W29-F93 HydrophobicContact CZ3-CD2 4.04Å; W29-F93 HydrophobicContact CZ3-CE2 4.13Å |
| 30 | T | 93 | Very high | 91.1 | Very high | 92 Ų | 92 | 58.6 Ų | 58.6 | 56% | 0.564 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -68.6 | -45.7 | -178.8 | -55.6 | 0 | 0 | 0 | 0 | 111.9 | A26 E27 R32 Q33 A34 | A26-T30 WeakPolarHBondContact O-CB 3.4Å; A26-T30 PolarHBondContact O-N 3.13Å; A26-T30 PolarHBondContact O-OG1 3.49Å; E27-T30 WeakPolarHBondContact O-CA 3.33Å; E27-T30 WeakPolarHBondContact O-CB 3.28Å; E27-T30 PolarHBondContact O-N 3.25Å; T30-R32 VanDerWaalsContact C-N 3.27Å; T30-R32 PolarHBondContact O-N 3.45Å; T30-Q33 PolarHBondContact O-N 2.92Å; T30-A34 PolarHBondContact O-N 3.41Å |
| 31 | S | 93.9 | Very high | 91.5 | Very high | 22 Ų | 22 | 60 Ų | 60 | 15% | 0.154 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -64.4 | -31.4 | 175 | -70.3 | 0 | 0 | 0 | 0 | 112.3 | D17 E27 A34 L35 | D17-S31 VanDerWaalsContact OD2-CB 3.25Å; D17-S31 WeakPolarHBondContact OD2-CB 3.35Å; D17-S31 PolarHBondContact OD2-OG 2.95Å; E27-S31 PolarHBondContact O-N 3.4Å; S31-A34 PolarHBondContact O-N 3.46Å; S31-L35 VanDerWaalsContact O-CB 3.3Å; S31-L35 WeakPolarHBondContact O-CB 3.18Å; S31-L35 PolarHBondContact O-N 2.93Å |
| 32 | R | 94.7 | Very high | 92.2 | Very high | 15 Ų | 15 | 54.2 Ų | 54.2 | 6% | 0.057 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -67 | -45.7 | 174.2 | -171 | -159.2 | -50 | -88.8 | -3.5 | 112.2 | M18 V28 W29 T30 A34 L35 Q36 A63 | M18-R32 HydrophobicContact CE-CB 4.14Å; M18-R32 HydrophobicContact SD-CB 3.69Å; M18-R32 HydrophobicContact SD-CG 4.08Å; V28-R32 WeakPolarHBondContact O-CB 3.48Å; V28-R32 PolarHBondContact O-N 3.19Å; W29-R32 WeakPolarHBondContact O-CB 3.21Å; W29-R32 PolarHBondContact O-N 2.95Å; T30-R32 VanDerWaalsContact C-N 3.27Å; T30-R32 PolarHBondContact O-N 3.45Å; R32-A34 VanDerWaalsContact C-N 3.33Å; R32-L35 WeakPolarHBondContact O-CB 3.41Å; R32-L35 PolarHBondContact O-N 3.23Å; R32-Q36 WeakPolarHBondContact O-CG 3.31Å; R32-Q36 PolarHBondContact O-N 3.23Å; R32-A63 WeakPolarHBondContact CD-O 3.49Å; R32-A63 HydrophobicContact CG-CB 4.36Å; R32-A63 PolarHBondContact NH1-O 3.36Å |
| 33 | Q | 94.6 | Very high | 92.6 | Very high | 88 Ų | 88 | 46.4 Ų | 46.4 | 41% | 0.411 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -58.4 | -47.6 | 174.2 | -69.4 | -84.9 | 100 | 0 | 0 | 110 | W29 T30 L35 Q36 D37 | W29-Q33 WeakPolarHBondContact O-CG 3.28Å; W29-Q33 PolarHBondContact O-N 3.22Å; T30-Q33 PolarHBondContact O-N 2.92Å; Q33-L35 VanDerWaalsContact C-N 3.32Å; Q33-L35 PolarHBondContact O-N 2.72Å; Q33-Q36 PolarHBondContact O-N 3.37Å; Q33-D37 WeakPolarHBondContact O-CB 3.48Å; Q33-D37 PolarHBondContact O-N 2.82Å |
| 34 | A | 95.5 | Very high | 93 | Very high | 41 Ų | 41 | 44.3 Ų | 44.3 | 34% | 0.339 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -60.9 | -37.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L14 T30 S31 R32 D37 L38 | L14-A34 HydrophobicContact CD1-CB 3.87Å; L14-A34 HydrophobicContact CD2-CB 4.23Å; T30-A34 PolarHBondContact O-N 3.41Å; S31-A34 PolarHBondContact O-N 3.46Å; R32-A34 VanDerWaalsContact C-N 3.33Å; A34-D37 WeakPolarHBondContact O-CB 3.45Å; A34-L38 WeakPolarHBondContact O-CB 3.25Å; A34-L38 PolarHBondContact O-N 3.45Å; A34-L38 VanDerWaalsContact O-N 3.09Å |
| 35 | L | 96.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66.7 | -43 | 176.7 | -175.2 | 64.4 | 0 | 0 | 0 | 112.2 | A11 L14 K15 M18 S31 R32 Q33 L38 Y39 H62 | A11-L35 HydrophobicContact CB-CD1 3.78Å; L14-L35 HydrophobicContact CB-CB 4.17Å; L14-L35 HydrophobicContact CB-CD1 3.96Å; K15-L35 HydrophobicContact CG-CD1 4.47Å; K15-L35 HydrophobicContact CG-CD2 4.45Å; M18-L35 HydrophobicContact CG-CD2 4.25Å; S31-L35 VanDerWaalsContact O-CB 3.3Å; S31-L35 WeakPolarHBondContact O-CB 3.18Å; S31-L35 PolarHBondContact O-N 2.93Å; R32-L35 WeakPolarHBondContact O-CB 3.41Å; R32-L35 PolarHBondContact O-N 3.23Å; Q33-L35 VanDerWaalsContact C-N 3.32Å; Q33-L35 PolarHBondContact O-N 2.72Å; L35-L38 PolarHBondContact O-N 3.27Å; L35-Y39 HydrophobicContact CD1-CD2 3.99Å; L35-Y39 HydrophobicContact CD1-CE1 4.42Å; L35-Y39 HydrophobicContact CD1-CE2 3.39Å; L35-Y39 HydrophobicContact CD2-CE2 4.19Å; L35-Y39 HydrophobicContact CG-CD2 3.97Å; L35-Y39 HydrophobicContact CG-CE2 3.63Å; L35-Y39 WeakPolarHBondContact O-CD2 3.45Å; L35-Y39 PolarHBondContact O-N 2.86Å; L35-H62 HydrophobicContact CD2-CB 4.32Å |
| 36 | Q | 96.6 | Very high | 93.6 | Very high | 16 Ų | 16 | 41 Ų | 41 | 8% | 0.075 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.3 | -52.3 | 175.3 | -71.3 | 170.2 | 12.7 | 0 | 0 | 111.1 | R32 Q33 L38 Y39 Q40 L59 A63 F64 F100 | R32-Q36 WeakPolarHBondContact O-CG 3.31Å; R32-Q36 PolarHBondContact O-N 3.23Å; Q33-Q36 PolarHBondContact O-N 3.37Å; Q36-L38 PolarHBondContact O-N 2.93Å; Q36-Y39 PolarHBondContact O-N 2.67Å; Q36-Q40 WeakPolarHBondContact O-CB 3.47Å; Q36-Q40 PolarHBondContact O-N 3.26Å; Q36-L59 HydrophobicContact CB-CD1 4.45Å; Q36-L59 HydrophobicContact CG-CD1 4.18Å; Q36-A63 HydrophobicContact CG-CB 3.73Å; Q36-F64 VanDerWaalsContact CD-CZ 3.44Å; Q36-F64 HydrophobicContact CG-CE2 4.16Å; Q36-F64 HydrophobicContact CG-CZ 3.85Å; Q36-F100 HydrophobicContact CB-CD2 4.26Å; Q36-F100 HydrophobicContact CB-CE2 3.74Å; Q36-F100 HydrophobicContact CB-CZ 4.17Å; Q36-F100 HydrophobicContact CG-CE2 4.39Å |
| 37 | D | 95.5 | Very high | 94 | Very high | 80 Ų | 80 | 37.5 Ų | 37.5 | 43% | 0.428 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -49.7 | -41.5 | 174.9 | -114.5 | 42.9 | 0 | 0 | 0 | 112.7 | Q33 A34 K41 | Q33-D37 WeakPolarHBondContact O-CB 3.48Å; Q33-D37 PolarHBondContact O-N 2.82Å; A34-D37 WeakPolarHBondContact O-CB 3.45Å; D37-K41 WeakPolarHBondContact O-CD 3.43Å; D37-K41 WeakPolarHBondContact O-CE 3.27Å; D37-K41 WeakPolarHBondContact O-CG 3.46Å; D37-K41 PolarHBondContact O-N 3.46Å; D37-K41 VanDerWaalsContact O-N 3.12Å; D37-K41 IonicContact OD2-NZ 2.75Å; D37-K41 PolarHBondContact OD2-NZ 3.42Å |
| 38 | L | 95.8 | Very high | 94.2 | Very high | 14 Ų | 14 | 35.5 Ų | 35.5 | 7% | 0.073 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -79.1 | -41.4 | -172.4 | -171.1 | 60.6 | 0 | 0 | 0 | 112 | Y7 Q10 A11 L14 A34 L35 Q36 K41 M42 | Y7-L38 HydrophobicContact CD1-CD1 3.48Å; Y7-L38 VanDerWaalsContact CD1-CD1 3.48Å; Y7-L38 HydrophobicContact CD2-CD1 4.43Å; Y7-L38 HydrophobicContact CE1-CD1 4.24Å; Y7-L38 HydrophobicContact CG-CD1 3.59Å; Y7-L38 WeakPolarHBondContact O-CD2 3.38Å; Q10-L38 HydrophobicContact CB-CD2 3.66Å; A11-L38 HydrophobicContact CB-CD2 3.81Å; A11-L38 HydrophobicContact CB-CG 4.41Å; L14-L38 HydrophobicContact CD1-CD2 3.95Å; A34-L38 WeakPolarHBondContact O-CB 3.25Å; A34-L38 PolarHBondContact O-N 3.45Å; A34-L38 VanDerWaalsContact O-N 3.09Å; L35-L38 PolarHBondContact O-N 3.27Å; Q36-L38 PolarHBondContact O-N 2.93Å; L38-K41 PolarHBondContact O-N 3.03Å; L38-M42 WeakPolarHBondContact O-CG 3.5Å; L38-M42 PolarHBondContact O-N 3.34Å |
| 39 | Y | 97.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -69.3 | -37.7 | 172.6 | -71.3 | -34.8 | 0 | 0 | 0 | 112.5 | A11 K15 L35 Q36 K41 M42 L43 V55 D58 L59 | A11-Y39 HydrophobicContact CB-CD1 4.08Å; A11-Y39 HydrophobicContact CB-CE1 3.37Å; K15-Y39 VanDerWaalsContact CD-OH 3.28Å; K15-Y39 WeakPolarHBondContact CD-OH 3.34Å; K15-Y39 WeakPolarHBondContact CE-OH 3.2Å; K15-Y39 PolarHBondContact NZ-OH 3.19Å; K15-Y39 VanDerWaalsContact NZ-OH 3.11Å; L35-Y39 HydrophobicContact CD1-CD2 3.99Å; L35-Y39 HydrophobicContact CD1-CE1 4.42Å; L35-Y39 HydrophobicContact CD1-CE2 3.39Å; L35-Y39 HydrophobicContact CD2-CE2 4.19Å; L35-Y39 HydrophobicContact CG-CD2 3.97Å; L35-Y39 HydrophobicContact CG-CE2 3.63Å; L35-Y39 WeakPolarHBondContact O-CD2 3.45Å; L35-Y39 PolarHBondContact O-N 2.86Å; Q36-Y39 PolarHBondContact O-N 2.67Å; Y39-K41 PolarHBondContact O-N 2.95Å; Y39-M42 HydrophobicContact CD1-SD 4.17Å; Y39-M42 PolarHBondContact O-N 3.47Å; Y39-L43 WeakPolarHBondContact O-CG 3.33Å; Y39-L43 PolarHBondContact O-N 2.86Å; Y39-V55 HydrophobicContact CD1-CB 4.32Å; Y39-V55 HydrophobicContact CD1-CG1 3.51Å; Y39-V55 HydrophobicContact CD1-CG2 4.2Å; Y39-V55 HydrophobicContact CE1-CG1 4.32Å; Y39-V55 HydrophobicContact CE1-CG2 4.37Å; Y39-V55 HydrophobicContact CG-CG1 3.77Å; Y39-D58 HydrophobicContact CE2-CB 4.14Å; Y39-L59 HydrophobicContact CD2-CB 3.77Å; Y39-L59 HydrophobicContact CD2-CD1 4.05Å; Y39-L59 HydrophobicContact CD2-CG 4.48Å; Y39-L59 HydrophobicContact CE2-CB 4.5Å; Y39-L59 HydrophobicContact CG-CB 4.31Å |
| 40 | Q | 96.3 | Very high | 94.8 | Very high | 20 Ų | 20 | 31.3 Ų | 31.3 | 9% | 0.093 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -56.7 | -49 | 170.5 | 176 | 171.2 | -3.1 | 0 | 0 | 111 | Q36 M42 L43 V44 F100 L104 E107 | Q36-Q40 WeakPolarHBondContact O-CB 3.47Å; Q36-Q40 PolarHBondContact O-N 3.26Å; Q40-M42 VanDerWaalsContact C-N 3.32Å; Q40-M42 PolarHBondContact O-N 2.9Å; Q40-L43 PolarHBondContact O-N 3.12Å; Q40-V44 WeakPolarHBondContact O-CB 3.46Å; Q40-V44 VanDerWaalsContact O-CG2 3.3Å; Q40-V44 WeakPolarHBondContact O-CG2 3.42Å; Q40-V44 PolarHBondContact O-N 2.88Å; Q40-F100 HydrophobicContact CB-CE2 4.45Å; Q40-F100 HydrophobicContact CB-CZ 4.46Å; Q40-L104 HydrophobicContact CB-CD1 4.4Å; Q40-L104 HydrophobicContact CG-CD1 4.01Å; Q40-E107 PolarHBondContact NE2-OE2 3.04Å |
| 41 | K | 94 | Very high | 95 | Very high | 87 Ų | 87 | 28.4 Ų | 28.4 | 38% | 0.378 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -58.6 | -40.6 | 175.5 | -72.6 | 157.8 | -160.5 | 154.5 | 0 | 112.4 | Y7 D37 L38 Y39 T45 | Y7-K41 HydrophobicContact CE2-CB 4.22Å; D37-K41 WeakPolarHBondContact O-CD 3.43Å; D37-K41 WeakPolarHBondContact O-CE 3.27Å; D37-K41 WeakPolarHBondContact O-CG 3.46Å; D37-K41 PolarHBondContact O-N 3.46Å; D37-K41 VanDerWaalsContact O-N 3.12Å; D37-K41 IonicContact OD2-NZ 2.75Å; D37-K41 PolarHBondContact OD2-NZ 3.42Å; L38-K41 PolarHBondContact O-N 3.03Å; Y39-K41 PolarHBondContact O-N 2.95Å; K41-T45 WeakPolarHBondContact O-CB 3.39Å; K41-T45 WeakPolarHBondContact O-CG2 3.39Å; K41-T45 PolarHBondContact O-N 3.19Å; K41-T45 PolarHBondContact O-OG1 2.95Å |
| 42 | M | 94.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64 | -50.4 | 175.5 | -71.4 | 177.5 | 72.2 | 0 | 0 | 112.3 | C4 Y7 L8 L38 Y39 Q40 V44 T45 D46 Y49 A50 V55 | C4-M42 HydrophobicContact CB-CE 4.15Å; C4-M42 HydrophobicContact CB-CG 4.3Å; C4-M42 WeakPolarHBondContact O-CE 3.41Å; Y7-M42 HydrophobicContact CD2-CG 3.85Å; Y7-M42 HydrophobicContact CG-CG 4.26Å; L8-M42 HydrophobicContact CB-CE 3.93Å; L8-M42 HydrophobicContact CB-SD 4.47Å; L8-M42 HydrophobicContact CD1-CE 4.31Å; L38-M42 WeakPolarHBondContact O-CG 3.5Å; L38-M42 PolarHBondContact O-N 3.34Å; Y39-M42 HydrophobicContact CD1-SD 4.17Å; Y39-M42 PolarHBondContact O-N 3.47Å; Q40-M42 VanDerWaalsContact C-N 3.32Å; Q40-M42 PolarHBondContact O-N 2.9Å; M42-V44 PolarHBondContact O-N 3.24Å; M42-T45 PolarHBondContact O-N 3.49Å; M42-D46 CarbonylContact O-C 3.57Å; M42-D46 PolarHBondContact O-N 3.4Å; M42-Y49 HydrophobicContact CE-CD1 4.02Å; M42-Y49 HydrophobicContact CE-CE1 3.84Å; M42-A50 HydrophobicContact CB-CB 4.27Å; M42-V55 HydrophobicContact CB-CG1 4.39Å; M42-V55 HydrophobicContact CE-CG2 3.63Å; M42-V55 HydrophobicContact SD-CG2 4.15Å |
| 43 | L | 95.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.7 | -31.8 | -179.6 | -70.1 | 167.4 | 0 | 0 | 0 | 113.1 | Y39 Q40 L47 A50 V55 E56 L59 L104 L108 F112 I149 | Y39-L43 WeakPolarHBondContact O-CG 3.33Å; Y39-L43 PolarHBondContact O-N 2.86Å; Q40-L43 PolarHBondContact O-N 3.12Å; L43-L47 HydrophobicContact CD2-CD1 3.88Å; L43-A50 HydrophobicContact CD2-CB 3.8Å; L43-A50 HydrophobicContact CG-CB 4.36Å; L43-V55 HydrophobicContact CD1-CG1 4.22Å; L43-V55 HydrophobicContact CD2-CB 4.43Å; L43-V55 HydrophobicContact CD2-CG1 4.05Å; L43-V55 HydrophobicContact CG-CG1 3.8Å; L43-E56 HydrophobicContact CD2-CB 4.29Å; L43-L59 HydrophobicContact CD1-CD2 3.85Å; L43-L104 HydrophobicContact CD1-CD1 4.41Å; L43-L104 HydrophobicContact CD1-CD2 4.32Å; L43-L108 HydrophobicContact CB-CD2 4.45Å; L43-F112 WeakPolarHBondContact O-CZ 3.4Å; L43-I149 HydrophobicContact CD1-CD1 4.29Å; L43-I149 HydrophobicContact CD2-CD1 3.79Å; L43-I149 HydrophobicContact CD2-CG1 4.2Å |
| 44 | V | 92.9 | Very high | 95.3 | Very high | 10 Ų | 10 | 37 Ų | 37 | 6% | 0.061 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -86.9 | -26.4 | -179.2 | 175.1 | 0 | 0 | 0 | 0 | 112.9 | Q40 M42 E107 L108 V111 I138 | Q40-V44 WeakPolarHBondContact O-CB 3.46Å; Q40-V44 VanDerWaalsContact O-CG2 3.3Å; Q40-V44 WeakPolarHBondContact O-CG2 3.42Å; Q40-V44 PolarHBondContact O-N 2.88Å; M42-V44 PolarHBondContact O-N 3.24Å; V44-E107 HydrophobicContact CG1-CG 4.23Å; V44-E107 HydrophobicContact CG2-CG 3.92Å; V44-L108 HydrophobicContact CG2-CD2 4.22Å; V44-V111 HydrophobicContact CG1-CB 4.46Å; V44-V111 HydrophobicContact CG1-CG1 4.23Å; V44-V111 HydrophobicContact CG1-CG2 4.01Å; V44-I138 WeakPolarHBondContact O-CG2 3.44Å |
| 45 | T | 91.4 | Very high | 95.4 | Very high | 37 Ų | 37 | 35 Ų | 35 | 23% | 0.227 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -99.2 | -35.4 | -176.1 | 55.7 | 0 | 0 | 0 | 0 | 115.1 | C4 K41 M42 V139 | C4-T45 PolarHBondContact SG-OG1 3.29Å; K41-T45 WeakPolarHBondContact O-CB 3.39Å; K41-T45 WeakPolarHBondContact O-CG2 3.39Å; K41-T45 PolarHBondContact O-N 3.19Å; K41-T45 PolarHBondContact O-OG1 2.95Å; M42-T45 PolarHBondContact O-N 3.49Å; T45-V139 PolarHBondContact O-N 3.03Å |
| 46 | D | 92.9 | Very high | 95.4 | Very high | 21 Ų | 21 | 35.1 Ų | 35.1 | 11% | 0.112 | 17% | 0.169 | C | C | . | . | trans | -147.5 | 75.4 | 178.8 | -171.4 | -9.5 | 0 | 0 | 0 | 108.8 | N2 C4 M42 E48 Y49 A50 V139 | N2-D46 PolarHBondContact ND2-OD2 2.89Å; N2-D46 VanDerWaalsContact ND2-OD2 3.15Å; C4-D46 HydrophobicContact CB-CB 4.48Å; M42-D46 CarbonylContact O-C 3.57Å; M42-D46 PolarHBondContact O-N 3.4Å; D46-E48 VanDerWaalsContact C-N 3.31Å; D46-E48 PolarHBondContact O-N 3.27Å; D46-Y49 PolarHBondContact O-N 2.92Å; D46-Y49 WeakPolarHBondContact OD1-CB 3.48Å; D46-Y49 PolarHBondContact OD1-N 3.4Å; D46-Y49 VanDerWaalsContact OD2-CB 3.29Å; D46-Y49 WeakPolarHBondContact OD2-CB 3.41Å; D46-A50 WeakPolarHBondContact O-CB 3.35Å; D46-A50 PolarHBondContact O-N 2.9Å; D46-V139 HydrophobicContact CB-CG2 4.12Å | ||
| 47 | L | 94.8 | Very high | 95.4 | Very high | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60 | -40.2 | -174.7 | -179.1 | 64 | 0 | 0 | 0 | 112 | L43 A50 L51 F112 P141 I149 | L43-L47 HydrophobicContact CD2-CD1 3.88Å; L47-A50 PolarHBondContact O-N 3.5Å; L47-L51 HydrophobicContact CD1-CD1 4.11Å; L47-L51 HydrophobicContact CD1-CD2 4.25Å; L47-L51 HydrophobicContact CD1-CG 3.91Å; L47-L51 HydrophobicContact CD2-CD1 4.47Å; L47-L51 HydrophobicContact CG-CD1 3.97Å; L47-L51 HydrophobicContact CG-CG 4.15Å; L47-L51 WeakPolarHBondContact O-CB 3.44Å; L47-L51 VanDerWaalsContact O-CG 3.3Å; L47-L51 WeakPolarHBondContact O-CG 3.26Å; L47-L51 PolarHBondContact O-N 3.33Å; L47-F112 HydrophobicContact CB-CE2 4.19Å; L47-F112 HydrophobicContact CB-CZ 4.02Å; L47-F112 HydrophobicContact CD2-CD2 4.28Å; L47-F112 HydrophobicContact CD2-CE2 3.81Å; L47-F112 HydrophobicContact CD2-CZ 4.4Å; L47-F112 HydrophobicContact CG-CE2 4.43Å; L47-P141 HydrophobicContact CB-CB 4.1Å; L47-P141 HydrophobicContact CD2-CB 3.92Å; L47-P141 HydrophobicContact CD2-CG 4.43Å; L47-I149 HydrophobicContact CD1-CB 4Å; L47-I149 HydrophobicContact CD1-CG1 4.1Å; L47-I149 HydrophobicContact CD1-CG2 3.9Å; L47-I149 HydrophobicContact CD2-CG2 3.81Å |
| 48 | E | 95.1 | Very high | 95.5 | Very high | 64 Ų | 64 | 35.8 Ų | 35.8 | 30% | 0.299 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -63.8 | -43.9 | -179.4 | -55.4 | -56.5 | 146.2 | 0 | 0 | 111 | D46 A50 D52 P141 Q142 S145 | D46-E48 VanDerWaalsContact C-N 3.31Å; D46-E48 PolarHBondContact O-N 3.27Å; E48-A50 VanDerWaalsContact C-N 3.35Å; E48-D52 VanDerWaalsContact O-CB 3.28Å; E48-D52 WeakPolarHBondContact O-CB 3.28Å; E48-D52 PolarHBondContact O-N 3.16Å; E48-P141 WeakPolarHBondContact OE1-CA 3.27Å; E48-P141 WeakPolarHBondContact OE1-CB 3.5Å; E48-Q142 PolarHBondContact OE1-N 2.9Å; E48-S145 VanDerWaalsContact CD-OG 3.31Å; E48-S145 WeakPolarHBondContact OE1-CB 3.4Å; E48-S145 PolarHBondContact OE1-OG 2.74Å; E48-S145 PolarHBondContact OE2-OG 3.45Å |
| 49 | Y | 94.9 | Very high | 95.6 | Very high | 49 Ų | 49 | 35.2 Ų | 35.2 | 19% | 0.192 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.6 | -38.5 | 172.8 | -177.2 | -93.5 | 0 | 0 | 0 | 112.4 | C4 A5 M42 D46 K53 | C4-Y49 HydrophobicContact CB-CD1 3.5Å; C4-Y49 HydrophobicContact CB-CE1 3.77Å; C4-Y49 HydrophobicContact CB-CG 4.37Å; A5-Y49 WeakPolarHBondContact CB-OH 3.4Å; M42-Y49 HydrophobicContact CE-CD1 4.02Å; M42-Y49 HydrophobicContact CE-CE1 3.84Å; D46-Y49 PolarHBondContact O-N 2.92Å; D46-Y49 WeakPolarHBondContact OD1-CB 3.48Å; D46-Y49 PolarHBondContact OD1-N 3.4Å; D46-Y49 VanDerWaalsContact OD2-CB 3.29Å; D46-Y49 WeakPolarHBondContact OD2-CB 3.41Å; Y49-K53 HydrophobicContact CD1-CG 4.33Å; Y49-K53 HydrophobicContact CE1-CG 3.96Å; Y49-K53 HydrophobicContact CE2-CG 4.27Å; Y49-K53 WeakPolarHBondContact O-CB 3.48Å; Y49-K53 VanDerWaalsContact O-CG 3.3Å; Y49-K53 WeakPolarHBondContact O-CG 3.35Å; Y49-K53 PolarHBondContact O-N 3.35Å |
| 50 | A | 96.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.4 | -44.6 | 179 | 0 | 0 | 0 | 0 | 0 | 111.9 | M42 L43 D46 L47 E48 K53 K54 V55 | M42-A50 HydrophobicContact CB-CB 4.27Å; L43-A50 HydrophobicContact CD2-CB 3.8Å; L43-A50 HydrophobicContact CG-CB 4.36Å; D46-A50 WeakPolarHBondContact O-CB 3.35Å; D46-A50 PolarHBondContact O-N 2.9Å; L47-A50 PolarHBondContact O-N 3.5Å; E48-A50 VanDerWaalsContact C-N 3.35Å; A50-K53 CarbonylContact O-C 3.56Å; A50-K53 PolarHBondContact O-N 3.08Å; A50-K54 PolarHBondContact O-N 3.32Å; A50-V55 HydrophobicContact CB-CB 3.96Å; A50-V55 HydrophobicContact CB-CG1 4.31Å; A50-V55 HydrophobicContact CB-CG2 4.03Å; A50-V55 WeakPolarHBondContact O-CB 3.45Å; A50-V55 WeakPolarHBondContact O-CG2 3.3Å; A50-V55 PolarHBondContact O-N 3.31Å |
| 51 | L | 96.2 | Very high | 95.6 | Very high | 32 Ų | 32 | 37.2 Ų | 37.2 | 17% | 0.168 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -69.3 | -41.6 | 177.4 | -65.4 | -178.3 | 0 | 0 | 0 | 112.4 | L47 K53 K54 E56 Y148 I149 | L47-L51 HydrophobicContact CD1-CD1 4.11Å; L47-L51 HydrophobicContact CD1-CD2 4.25Å; L47-L51 HydrophobicContact CD1-CG 3.91Å; L47-L51 HydrophobicContact CD2-CD1 4.47Å; L47-L51 HydrophobicContact CG-CD1 3.97Å; L47-L51 HydrophobicContact CG-CG 4.15Å; L47-L51 WeakPolarHBondContact O-CB 3.44Å; L47-L51 VanDerWaalsContact O-CG 3.3Å; L47-L51 WeakPolarHBondContact O-CG 3.26Å; L47-L51 PolarHBondContact O-N 3.33Å; L51-K53 PolarHBondContact O-N 2.93Å; L51-K54 PolarHBondContact O-N 3.15Å; L51-E56 HydrophobicContact CD2-CG 4.02Å; L51-E56 WeakPolarHBondContact CD2-OE2 3.39Å; L51-Y148 HydrophobicContact CD1-CD1 4Å; L51-Y148 HydrophobicContact CD2-CD1 3.81Å; L51-Y148 HydrophobicContact CD2-CE1 3.74Å; L51-I149 HydrophobicContact CD2-CD1 4.34Å |
| 52 | D | 96.1 | Very high | 95.6 | Very high | 110 Ų | 110 | 35.7 Ų | 35.7 | 59% | 0.588 | 17% | 0.172 | S | C | * | . | H | α-helix | trans | -61.4 | -21.7 | 171.3 | 170.1 | 60.8 | 0 | 0 | 0 | 112.7 | E48 | E48-D52 VanDerWaalsContact O-CB 3.28Å; E48-D52 WeakPolarHBondContact O-CB 3.28Å; E48-D52 PolarHBondContact O-N 3.16Å |
| 53 | K | 96.4 | Very high | 95.6 | Very high | 74 Ų | 74 | 35.7 Ų | 35.7 | 32% | 0.322 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.4 | 7.7 | 173.3 | -64.7 | -71.4 | 148.7 | -69.1 | 0 | 114 | L8 Y49 A50 L51 V55 | L8-K53 HydrophobicContact CD2-CB 4.33Å; L8-K53 HydrophobicContact CD2-CD 3.72Å; L8-K53 HydrophobicContact CD2-CG 3.98Å; Y49-K53 HydrophobicContact CD1-CG 4.33Å; Y49-K53 HydrophobicContact CE1-CG 3.96Å; Y49-K53 HydrophobicContact CE2-CG 4.27Å; Y49-K53 WeakPolarHBondContact O-CB 3.48Å; Y49-K53 VanDerWaalsContact O-CG 3.3Å; Y49-K53 WeakPolarHBondContact O-CG 3.35Å; Y49-K53 PolarHBondContact O-N 3.35Å; A50-K53 CarbonylContact O-C 3.56Å; A50-K53 PolarHBondContact O-N 3.08Å; L51-K53 PolarHBondContact O-N 2.93Å; K53-V55 HydrophobicContact CB-CG2 4.27Å; K53-V55 PolarHBondContact O-N 3.32Å |
| 54 | K | 97 | Very high | 95.7 | Very high | 120 Ų | 120 | 35.9 Ų | 35.9 | 52% | 0.522 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.3 | 31.1 | 177.5 | -54.5 | -175.1 | 178.2 | -172.4 | 0 | 114.2 | A50 L51 E56 Q57 D58 | A50-K54 PolarHBondContact O-N 3.32Å; L51-K54 PolarHBondContact O-N 3.15Å; K54-E56 VanDerWaalsContact C-OE2 3.25Å; K54-E56 WeakPolarHBondContact CA-OE2 3.47Å; K54-E56 PolarHBondContact O-N 3.1Å; K54-Q57 HydrophobicContact CB-CB 4.3Å; K54-Q57 PolarHBondContact O-N 2.91Å; K54-Q57 VanDerWaalsContact O-N 3.13Å; K54-D58 PolarHBondContact O-N 2.89Å |
| 55 | V | 97.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -55 | -35.9 | -177.5 | 162.9 | 0 | 0 | 0 | 0 | 112 | Y39 M42 L43 A50 K53 D58 L59 | Y39-V55 HydrophobicContact CD1-CB 4.32Å; Y39-V55 HydrophobicContact CD1-CG1 3.51Å; Y39-V55 HydrophobicContact CD1-CG2 4.2Å; Y39-V55 HydrophobicContact CE1-CG1 4.32Å; Y39-V55 HydrophobicContact CE1-CG2 4.37Å; Y39-V55 HydrophobicContact CG-CG1 3.77Å; M42-V55 HydrophobicContact CB-CG1 4.39Å; M42-V55 HydrophobicContact CE-CG2 3.63Å; M42-V55 HydrophobicContact SD-CG2 4.15Å; L43-V55 HydrophobicContact CD1-CG1 4.22Å; L43-V55 HydrophobicContact CD2-CB 4.43Å; L43-V55 HydrophobicContact CD2-CG1 4.05Å; L43-V55 HydrophobicContact CG-CG1 3.8Å; A50-V55 HydrophobicContact CB-CB 3.96Å; A50-V55 HydrophobicContact CB-CG1 4.31Å; A50-V55 HydrophobicContact CB-CG2 4.03Å; A50-V55 WeakPolarHBondContact O-CB 3.45Å; A50-V55 WeakPolarHBondContact O-CG2 3.3Å; A50-V55 PolarHBondContact O-N 3.31Å; K53-V55 HydrophobicContact CB-CG2 4.27Å; K53-V55 PolarHBondContact O-N 3.32Å; V55-D58 PolarHBondContact O-N 3.38Å; V55-L59 WeakPolarHBondContact O-CB 3.46Å; V55-L59 PolarHBondContact O-N 2.61Å |
| 56 | E | 96.9 | Very high | 96 | Very high | 3 Ų | 3 | 40.6 Ų | 40.6 | 1% | 0.014 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -69.3 | -43.6 | 178.6 | 77.2 | -53.8 | 135.7 | 0 | 0 | 112.7 | L43 L51 K54 D58 W60 Y148 I149 H152 | L43-E56 HydrophobicContact CD2-CB 4.29Å; L51-E56 HydrophobicContact CD2-CG 4.02Å; L51-E56 WeakPolarHBondContact CD2-OE2 3.39Å; K54-E56 VanDerWaalsContact C-OE2 3.25Å; K54-E56 WeakPolarHBondContact CA-OE2 3.47Å; K54-E56 PolarHBondContact O-N 3.1Å; E56-D58 VanDerWaalsContact C-N 3.35Å; E56-W60 PolarHBondContact O-N 2.91Å; E56-Y148 HydrophobicContact CG-CE1 4.12Å; E56-I149 HydrophobicContact CB-CD1 3.52Å; E56-I149 HydrophobicContact CG-CD1 4.11Å; E56-H152 PolarHBondContact O-CE1 3.06Å; E56-H152 PolarHBondContact O-NE2 3.41Å |
| 57 | Q | 96.2 | Very high | 96.1 | Very high | 75 Ų | 75 | 42 Ų | 42 | 35% | 0.35 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -62.7 | -41.5 | 171.6 | -76.8 | 159.1 | 76.6 | 0 | 0 | 111.4 | K54 N61 | K54-Q57 HydrophobicContact CB-CB 4.3Å; K54-Q57 PolarHBondContact O-N 2.91Å; K54-Q57 VanDerWaalsContact O-N 3.13Å; Q57-N61 WeakPolarHBondContact O-CB 3.41Å; Q57-N61 PolarHBondContact O-N 3.09Å; Q57-N61 PolarHBondContact O-ND2 3.24Å |
| 58 | D | 96.3 | Very high | 96.1 | Very high | 35 Ų | 35 | 42 Ų | 42 | 19% | 0.187 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -70 | -39.2 | -180 | -79.7 | -37.3 | 0 | 0 | 0 | 112.9 | K15 Y39 K54 V55 E56 H62 | K15-D58 VanDerWaalsContact CE-CG 3.46Å; K15-D58 IonicContact NZ-OD1 2.68Å; K15-D58 PolarHBondContact NZ-OD1 3.08Å; K15-D58 IonicContact NZ-OD2 3.96Å; K15-D58 PolarHBondContact NZ-OD2 2.86Å; Y39-D58 HydrophobicContact CE2-CB 4.14Å; K54-D58 PolarHBondContact O-N 2.89Å; V55-D58 PolarHBondContact O-N 3.38Å; E56-D58 VanDerWaalsContact C-N 3.35Å; D58-H62 WeakPolarHBondContact O-CB 3.48Å; D58-H62 PolarHBondContact O-N 3.23Å; D58-H62 IonicContact OD1-CD2 2.84Å; D58-H62 IonicContact OD1-NE2 2.66Å |
| 59 | L | 97.8 | Very high | 96.2 | Very high | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | I | π-helix | trans | -58.7 | -50.9 | 172.4 | 174 | 58.2 | 0 | 0 | 0 | 110.8 | Q36 Y39 L43 V55 A63 F64 F100 L104 | Q36-L59 HydrophobicContact CB-CD1 4.45Å; Q36-L59 HydrophobicContact CG-CD1 4.18Å; Y39-L59 HydrophobicContact CD2-CB 3.77Å; Y39-L59 HydrophobicContact CD2-CD1 4.05Å; Y39-L59 HydrophobicContact CD2-CG 4.48Å; Y39-L59 HydrophobicContact CE2-CB 4.5Å; Y39-L59 HydrophobicContact CG-CB 4.31Å; L43-L59 HydrophobicContact CD1-CD2 3.85Å; V55-L59 WeakPolarHBondContact O-CB 3.46Å; V55-L59 PolarHBondContact O-N 2.61Å; L59-A63 HydrophobicContact CD1-CB 4.24Å; L59-A63 VanDerWaalsContact O-CB 3.24Å; L59-A63 WeakPolarHBondContact O-CB 3.29Å; L59-A63 PolarHBondContact O-N 3.37Å; L59-F64 HydrophobicContact CD1-CE2 3.93Å; L59-F64 HydrophobicContact CG-CE2 4.41Å; L59-F64 WeakPolarHBondContact O-CD2 3.47Å; L59-F100 HydrophobicContact CD1-CE1 3.91Å; L59-F100 HydrophobicContact CD1-CZ 3.83Å; L59-F100 HydrophobicContact CD2-CE1 3.88Å; L59-F100 HydrophobicContact CD2-CZ 3.94Å; L59-F100 HydrophobicContact CG-CE1 4.16Å; L59-F100 HydrophobicContact CG-CZ 4.38Å; L59-L104 HydrophobicContact CD2-CD2 4.04Å |
| 60 | W | 97.6 | Very high | 96.1 | Very high | 15 Ų | 15 | 42.7 Ų | 42.7 | 6% | 0.057 | 21% | 0.213 | C | C | . | . | I | π-helix | trans | -60.2 | -53.6 | 175.9 | 176.6 | -123.8 | 0 | 0 | 0 | 111.8 | E56 F64 K65 I68 Y101 H156 D159 I160 Y163 | E56-W60 PolarHBondContact O-N 2.91Å; W60-F64 HydrophobicContact CE3-CB 3.9Å; W60-F64 HydrophobicContact CE3-CD2 4.47Å; W60-F64 HydrophobicContact CZ3-CB 3.98Å; W60-F64 PolarHBondContact O-N 3.24Å; W60-K65 HydrophobicContact CD2-CB 4.29Å; W60-K65 HydrophobicContact CZ2-CB 4.35Å; W60-K65 HydrophobicContact CZ2-CG 4.33Å; W60-K65 WeakPolarHBondContact O-CB 3.42Å; W60-K65 PolarHBondContact O-N 3.48Å; W60-I68 HydrophobicContact CH2-CD1 4.15Å; W60-I68 HydrophobicContact CZ3-CD1 4.34Å; W60-Y101 WeakPolarHBondContact CA-OH 3.2Å; W60-Y101 WeakPolarHBondContact CB-OH 3.23Å; W60-Y101 AromaticContact CE3-CE2 3.85Å; W60-Y101 HydrophobicContact CE3-CE2 3.85Å; W60-Y101 HydrophobicContact CZ3-CE2 4.17Å; W60-H156 AromaticContact CD1-CE1 3.42Å; W60-H156 VanDerWaalsContact CD1-CE1 3.42Å; W60-H156 AromaticContact CD1-NE2 3.51Å; W60-H156 HydrophobicContact CD2-CB 4.32Å; W60-H156 AromaticContact CD2-CD2 3.8Å; W60-H156 AromaticContact CD2-CE1 3.8Å; W60-H156 AromaticContact CD2-CG 3.66Å; W60-H156 AromaticContact CD2-ND1 3.67Å; W60-H156 AromaticContact CD2-NE2 3.9Å; W60-H156 AromaticContact CE2-CE1 3.64Å; W60-H156 AromaticContact CE2-CG 3.95Å; W60-H156 AromaticContact CE2-ND1 3.47Å; W60-H156 HydrophobicContact CE3-CB 3.94Å; W60-H156 AromaticContact CE3-CG 3.8Å; W60-H156 AromaticContact CG-CD2 3.69Å; W60-H156 AromaticContact CG-CE1 3.67Å; W60-H156 AromaticContact CG-NE2 3.45Å; W60-H156 HydrophobicContact CH2-CB 4.38Å; W60-H156 AromaticContact CZ2-ND1 3.81Å; W60-H156 HydrophobicContact CZ3-CB 3.98Å; W60-H156 AromaticContact NE1-CE1 3.37Å; W60-H156 PolarHBondContact NE1-CE1 3.03Å; W60-H156 AromaticContact NE1-ND1 3.69Å; W60-H156 AromaticContact NE1-NE2 3.94Å; W60-D159 HydrophobicContact CH2-CB 4.02Å; W60-D159 HydrophobicContact CZ2-CB 4.03Å; W60-I160 HydrophobicContact CH2-CG1 4.19Å; W60-I160 HydrophobicContact CZ3-CD1 4.18Å; W60-I160 HydrophobicContact CZ3-CG1 4.13Å; W60-Y163 HydrophobicContact CH2-CE2 4.19Å; W60-Y163 HydrophobicContact CZ2-CE2 4.27Å |
| 61 | N | 95.9 | Very high | 96 | Very high | 48 Ų | 48 | 43.4 Ų | 43.4 | 26% | 0.257 | 22% | 0.217 | S | C | . | . | I | π-helix | trans | -68.8 | -53.2 | -171.1 | -71.7 | -57.3 | 0 | 0 | 0 | 112.7 | Q57 K65 N66 | Q57-N61 WeakPolarHBondContact O-CB 3.41Å; Q57-N61 PolarHBondContact O-N 3.09Å; Q57-N61 PolarHBondContact O-ND2 3.24Å; N61-K65 VanDerWaalsContact OD1-CD 3.29Å; N61-K65 WeakPolarHBondContact OD1-CD 3.26Å; N61-N66 WeakPolarHBondContact O-CB 3.48Å; N61-N66 PolarHBondContact O-N 3.21Å; N61-N66 VanDerWaalsContact O-N 3.07Å; N61-N66 PolarHBondContact O-ND2 3.11Å; N61-N66 PolarHBondContact O-OD1 3.12Å |
| 62 | H | 94.5 | Very high | 96 | Very high | 55 Ų | 55 | 43.1 Ų | 43.1 | 26% | 0.255 | 22% | 0.215 | S | C | . | . | I | π-helix | trans | -80.8 | -39.8 | -171.9 | -69.8 | -87.3 | 0 | 0 | 0 | 113.5 | K15 L35 D58 | K15-H62 HydrophobicContact CG-CB 4.39Å; L35-H62 HydrophobicContact CD2-CB 4.32Å; D58-H62 WeakPolarHBondContact O-CB 3.48Å; D58-H62 PolarHBondContact O-N 3.23Å; D58-H62 IonicContact OD1-CD2 2.84Å; D58-H62 IonicContact OD1-NE2 2.66Å |
| 63 | A | 95.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.208 | C | C | . | . | I | π-helix | trans | -79 | -37.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | R32 Q36 L59 F93 | R32-A63 WeakPolarHBondContact CD-O 3.49Å; R32-A63 HydrophobicContact CG-CB 4.36Å; R32-A63 PolarHBondContact NH1-O 3.36Å; Q36-A63 HydrophobicContact CG-CB 3.73Å; L59-A63 HydrophobicContact CD1-CB 4.24Å; L59-A63 VanDerWaalsContact O-CB 3.24Å; L59-A63 WeakPolarHBondContact O-CB 3.29Å; L59-A63 PolarHBondContact O-N 3.37Å; A63-F93 WeakPolarHBondContact O-CZ 3.5Å |
| 64 | F | 96.7 | Very high | 95.8 | Very high | 3 Ų | 3 | 41.4 Ų | 41.4 | 1% | 0.013 | 21% | 0.211 | C | C | . | . | I | π-helix | trans | -116.9 | -66.1 | -170.5 | -57.9 | -73.4 | 0 | 0 | 0 | 114.7 | Q36 L59 W60 N66 Q67 I68 F93 A97 F100 Y101 | Q36-F64 VanDerWaalsContact CD-CZ 3.44Å; Q36-F64 HydrophobicContact CG-CE2 4.16Å; Q36-F64 HydrophobicContact CG-CZ 3.85Å; L59-F64 HydrophobicContact CD1-CE2 3.93Å; L59-F64 HydrophobicContact CG-CE2 4.41Å; L59-F64 WeakPolarHBondContact O-CD2 3.47Å; W60-F64 HydrophobicContact CE3-CB 3.9Å; W60-F64 HydrophobicContact CE3-CD2 4.47Å; W60-F64 HydrophobicContact CZ3-CB 3.98Å; W60-F64 PolarHBondContact O-N 3.24Å; F64-N66 PolarHBondContact O-N 2.66Å; F64-Q67 WeakPolarHBondContact O-CB 3.43Å; F64-Q67 PolarHBondContact O-N 2.99Å; F64-Q67 VanDerWaalsContact O-N 3.08Å; F64-I68 HydrophobicContact CB-CD1 4.14Å; F64-I68 WeakPolarHBondContact O-CG1 3.31Å; F64-I68 PolarHBondContact O-N 3.1Å; F64-F93 HydrophobicContact CB-CE1 4.46Å; F64-F93 HydrophobicContact CD1-CE1 4.02Å; F64-F93 HydrophobicContact CD1-CZ 4.06Å; F64-A97 HydrophobicContact CD1-CB 3.52Å; F64-A97 HydrophobicContact CE1-CB 3.71Å; F64-A97 HydrophobicContact CG-CB 4.4Å; F64-F100 HydrophobicContact CE1-CD1 4.48Å; F64-F100 AromaticContact CE2-CD1 3.58Å; F64-F100 HydrophobicContact CE2-CD1 3.58Å; F64-F100 AromaticContact CE2-CE1 3.72Å; F64-F100 HydrophobicContact CE2-CE1 3.72Å; F64-F100 HydrophobicContact CE2-CG 4.33Å; F64-F100 HydrophobicContact CZ-CB 4.03Å; F64-F100 AromaticContact CZ-CD1 3.35Å; F64-F100 HydrophobicContact CZ-CD1 3.35Å; F64-F100 HydrophobicContact CZ-CD2 4.43Å; F64-F100 AromaticContact CZ-CE1 3.91Å; F64-F100 HydrophobicContact CZ-CE1 3.91Å; F64-F100 AromaticContact CZ-CG 3.66Å; F64-F100 HydrophobicContact CZ-CG 3.66Å; F64-Y101 AromaticContact CD2-CE2 3.65Å; F64-Y101 HydrophobicContact CD2-CE2 3.65Å; F64-Y101 HydrophobicContact CE2-CD2 4.4Å; F64-Y101 AromaticContact CE2-CE2 3.69Å; F64-Y101 HydrophobicContact CE2-CE2 3.69Å; F64-Y101 HydrophobicContact CG-CE2 4.32Å; F64-Y101 HydrophobicContact CZ-CE2 4.4Å |
| 65 | K | 96 | Very high | 95.6 | Very high | 67 Ų | 67 | 35.9 Ų | 35.9 | 29% | 0.291 | 19% | 0.188 | S | C | . | . | I | π-helix | trans | -54.9 | -49.7 | -166.3 | -167 | -165.4 | 179.3 | -173.4 | 0 | 112.8 | W60 N61 Q67 I68 T69 | W60-K65 HydrophobicContact CD2-CB 4.29Å; W60-K65 HydrophobicContact CZ2-CB 4.35Å; W60-K65 HydrophobicContact CZ2-CG 4.33Å; W60-K65 WeakPolarHBondContact O-CB 3.42Å; W60-K65 PolarHBondContact O-N 3.48Å; N61-K65 VanDerWaalsContact OD1-CD 3.29Å; N61-K65 WeakPolarHBondContact OD1-CD 3.26Å; K65-Q67 VanDerWaalsContact C-N 3.26Å; K65-Q67 PolarHBondContact O-N 3.2Å; K65-I68 PolarHBondContact O-N 2.94Å; K65-I68 VanDerWaalsContact O-N 3.09Å; K65-T69 PolarHBondContact O-N 3.19Å; K65-T69 PolarHBondContact O-OG1 2.74Å |
| 66 | N | 94.6 | Very high | 95.3 | Very high | 80 Ų | 80 | 40.3 Ų | 40.3 | 43% | 0.428 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -59.8 | -36.7 | -178.2 | -67.4 | -7.1 | 0 | 0 | 0 | 112.3 | N61 F64 T70 | N61-N66 WeakPolarHBondContact O-CB 3.48Å; N61-N66 PolarHBondContact O-N 3.21Å; N61-N66 VanDerWaalsContact O-N 3.07Å; N61-N66 PolarHBondContact O-ND2 3.11Å; N61-N66 PolarHBondContact O-OD1 3.12Å; F64-N66 PolarHBondContact O-N 2.66Å; N66-T70 WeakPolarHBondContact O-CB 3.38Å; N66-T70 PolarHBondContact O-N 3.25Å; N66-T70 VanDerWaalsContact O-N 3.13Å; N66-T70 PolarHBondContact O-OG1 2.88Å |
| 67 | Q | 94.2 | Very high | 95.1 | Very high | 51 Ų | 51 | 44.1 Ų | 44.1 | 24% | 0.238 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -71.5 | -42.6 | 174.1 | -169.2 | 68.1 | 53.9 | 0 | 0 | 112.2 | F64 K65 T70 L71 F93 | F64-Q67 WeakPolarHBondContact O-CB 3.43Å; F64-Q67 PolarHBondContact O-N 2.99Å; F64-Q67 VanDerWaalsContact O-N 3.08Å; K65-Q67 VanDerWaalsContact C-N 3.26Å; K65-Q67 PolarHBondContact O-N 3.2Å; Q67-T70 PolarHBondContact O-N 2.98Å; Q67-L71 HydrophobicContact CG-CD1 3.94Å; Q67-L71 HydrophobicContact CG-CG 4.42Å; Q67-L71 WeakPolarHBondContact O-CB 3.23Å; Q67-L71 WeakPolarHBondContact O-CG 3.4Å; Q67-L71 PolarHBondContact O-N 3.37Å; Q67-F93 HydrophobicContact CB-CE1 3.93Å; Q67-F93 HydrophobicContact CB-CE2 4.33Å; Q67-F93 HydrophobicContact CB-CZ 3.77Å; Q67-F93 HydrophobicContact CG-CD1 4.36Å; Q67-F93 HydrophobicContact CG-CD2 4.15Å; Q67-F93 HydrophobicContact CG-CE1 4.03Å; Q67-F93 HydrophobicContact CG-CE2 3.8Å; Q67-F93 HydrophobicContact CG-CG 4.43Å; Q67-F93 HydrophobicContact CG-CZ 3.74Å |
| 68 | I | 96.4 | Very high | 94.8 | Very high | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.4 | -50.2 | 177.2 | -68.7 | 164.9 | 0 | 0 | 0 | 109.8 | W60 F64 K65 T70 L71 Q72 L90 F93 L94 Y163 | W60-I68 HydrophobicContact CH2-CD1 4.15Å; W60-I68 HydrophobicContact CZ3-CD1 4.34Å; F64-I68 HydrophobicContact CB-CD1 4.14Å; F64-I68 WeakPolarHBondContact O-CG1 3.31Å; F64-I68 PolarHBondContact O-N 3.1Å; K65-I68 PolarHBondContact O-N 2.94Å; K65-I68 VanDerWaalsContact O-N 3.09Å; I68-T70 PolarHBondContact O-N 3.44Å; I68-L71 PolarHBondContact O-N 3.38Å; I68-Q72 HydrophobicContact CG2-CG 4.25Å; I68-Q72 VanDerWaalsContact O-CB 3.28Å; I68-Q72 WeakPolarHBondContact O-CB 3.3Å; I68-Q72 VanDerWaalsContact O-CG 3.22Å; I68-Q72 WeakPolarHBondContact O-CG 3.4Å; I68-Q72 PolarHBondContact O-N 3.4Å; I68-L90 HydrophobicContact CG2-CD1 4.45Å; I68-F93 HydrophobicContact CD1-CE1 4.33Å; I68-F93 HydrophobicContact CG1-CD1 3.81Å; I68-F93 HydrophobicContact CG1-CE1 3.81Å; I68-L94 HydrophobicContact CD1-CD2 3.81Å; I68-L94 HydrophobicContact CG1-CD2 3.95Å; I68-L94 HydrophobicContact CG2-CD2 4.22Å; I68-Y163 HydrophobicContact CG2-CD2 3.84Å; I68-Y163 HydrophobicContact CG2-CE2 4.05Å; I68-Y163 HydrophobicContact CG2-CG 4.32Å |
| 69 | T | 95.9 | Very high | 94.6 | Very high | 59 Ų | 59 | 50.9 Ų | 50.9 | 36% | 0.362 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61.3 | -42.7 | 178 | -58.8 | 0 | 0 | 0 | 0 | 111.9 | K65 Q72 S73 | K65-T69 PolarHBondContact O-N 3.19Å; K65-T69 PolarHBondContact O-OG1 2.74Å; T69-Q72 PolarHBondContact O-N 3.26Å; T69-S73 WeakPolarHBondContact O-CB 3.48Å; T69-S73 PolarHBondContact O-N 2.88Å |
| 70 | T | 93.6 | Very high | 94.2 | Very high | 67 Ų | 67 | 52.4 Ų | 52.4 | 41% | 0.411 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.4 | -48.3 | 177.1 | -61.3 | 0 | 0 | 0 | 0 | 111.7 | N66 Q67 I68 S73 Q74 | N66-T70 WeakPolarHBondContact O-CB 3.38Å; N66-T70 PolarHBondContact O-N 3.25Å; N66-T70 VanDerWaalsContact O-N 3.13Å; N66-T70 PolarHBondContact O-OG1 2.88Å; Q67-T70 PolarHBondContact O-N 2.98Å; I68-T70 PolarHBondContact O-N 3.44Å; T70-S73 PolarHBondContact O-N 3.13Å; T70-Q74 WeakPolarHBondContact O-CB 3.34Å; T70-Q74 VanDerWaalsContact O-CG 3.27Å; T70-Q74 WeakPolarHBondContact O-CG 3.49Å; T70-Q74 PolarHBondContact O-N 3.17Å |
| 71 | L | 94.8 | Very high | 93.9 | Very high | 15 Ų | 15 | 57.2 Ų | 57.2 | 8% | 0.079 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -68.8 | -37 | 179 | -70.1 | 172.1 | 0 | 0 | 0 | 111.9 | Q67 I68 Q74 A75 V86 L90 F93 | Q67-L71 HydrophobicContact CG-CD1 3.94Å; Q67-L71 HydrophobicContact CG-CG 4.42Å; Q67-L71 WeakPolarHBondContact O-CB 3.23Å; Q67-L71 WeakPolarHBondContact O-CG 3.4Å; Q67-L71 PolarHBondContact O-N 3.37Å; I68-L71 PolarHBondContact O-N 3.38Å; L71-Q74 PolarHBondContact O-N 2.74Å; L71-A75 WeakPolarHBondContact O-CB 3.38Å; L71-A75 PolarHBondContact O-N 3.21Å; L71-V86 HydrophobicContact CB-CG1 4.48Å; L71-V86 HydrophobicContact CD2-CG1 3.99Å; L71-V86 WeakPolarHBondContact O-CG1 3.46Å; L71-L90 HydrophobicContact CB-CB 4.12Å; L71-L90 HydrophobicContact CB-CD1 3.9Å; L71-L90 HydrophobicContact CB-CG 4.47Å; L71-F93 HydrophobicContact CD1-CB 4.24Å; L71-F93 HydrophobicContact CD1-CG 4.38Å |
| 72 | Q | 95.2 | Very high | 93.8 | Very high | 27 Ų | 27 | 58.7 Ų | 58.7 | 13% | 0.126 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.3 | -47.4 | 173.9 | -78.3 | 171.2 | -19.9 | 0 | 0 | 111.7 | I68 T69 Q74 A75 K76 L90 | I68-Q72 HydrophobicContact CG2-CG 4.25Å; I68-Q72 VanDerWaalsContact O-CB 3.28Å; I68-Q72 WeakPolarHBondContact O-CB 3.3Å; I68-Q72 VanDerWaalsContact O-CG 3.22Å; I68-Q72 WeakPolarHBondContact O-CG 3.4Å; I68-Q72 PolarHBondContact O-N 3.4Å; T69-Q72 PolarHBondContact O-N 3.26Å; Q72-Q74 PolarHBondContact O-N 3.21Å; Q72-A75 PolarHBondContact O-N 2.97Å; Q72-K76 WeakPolarHBondContact O-CB 3.41Å; Q72-K76 WeakPolarHBondContact O-CG 3.38Å; Q72-K76 PolarHBondContact O-N 3.38Å; Q72-L90 HydrophobicContact CG-CD1 4.1Å; Q72-L90 HydrophobicContact CG-CD2 3.74Å |
| 73 | S | 95.2 | Very high | 93.7 | Very high | 64 Ų | 64 | 60.9 Ų | 60.9 | 45% | 0.448 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -59.7 | -47.1 | 176.4 | -178.5 | 0 | 0 | 0 | 0 | 111.3 | T69 T70 A75 K76 N77 | T69-S73 WeakPolarHBondContact O-CB 3.48Å; T69-S73 PolarHBondContact O-N 2.88Å; T70-S73 PolarHBondContact O-N 3.13Å; S73-A75 PolarHBondContact O-N 3.47Å; S73-K76 PolarHBondContact O-N 3Å; S73-N77 WeakPolarHBondContact O-CB 3.48Å; S73-N77 PolarHBondContact O-N 2.98Å |
| 74 | Q | 93.4 | Very high | 93.6 | Very high | 84 Ų | 84 | 65.4 Ų | 65.4 | 39% | 0.393 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -64.6 | -33.3 | 176.7 | -70.3 | 175.3 | 8.5 | 0 | 0 | 113.7 | T70 L71 Q72 N80 V86 | T70-Q74 WeakPolarHBondContact O-CB 3.34Å; T70-Q74 VanDerWaalsContact O-CG 3.27Å; T70-Q74 WeakPolarHBondContact O-CG 3.49Å; T70-Q74 PolarHBondContact O-N 3.17Å; L71-Q74 PolarHBondContact O-N 2.74Å; Q72-Q74 PolarHBondContact O-N 3.21Å; Q74-N80 PolarHBondContact O-ND2 3.03Å; Q74-V86 HydrophobicContact CB-CG1 3.63Å; Q74-V86 HydrophobicContact CB-CG2 4.45Å |
| 75 | A | 93.1 | Very high | 93.5 | Very high | 3 Ų | 3 | 70 Ų | 70 | 3% | 0.025 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -79.2 | -30.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | L71 Q72 S73 R83 V86 Q87 L90 | L71-A75 WeakPolarHBondContact O-CB 3.38Å; L71-A75 PolarHBondContact O-N 3.21Å; Q72-A75 PolarHBondContact O-N 2.97Å; S73-A75 PolarHBondContact O-N 3.47Å; A75-R83 WeakPolarHBondContact O-CG 3.42Å; A75-R83 PolarHBondContact O-NE 3Å; A75-R83 PolarHBondContact O-NH1 2.73Å; A75-R83 PolarHBondContact O-NH2 3.31Å; A75-V86 HydrophobicContact CB-CG1 4.06Å; A75-Q87 HydrophobicContact CB-CB 4.39Å; A75-L90 HydrophobicContact CB-CD2 4.46Å |
| 76 | K | 92.2 | Very high | 93.5 | Very high | 93 Ų | 93 | 67.4 Ų | 67.4 | 40% | 0.404 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -74.3 | -35.5 | 174.9 | -73.1 | 172.5 | -170.8 | -172.4 | 0 | 112.1 | Q72 S73 R78 R83 E932 | Q72-K76 WeakPolarHBondContact O-CB 3.41Å; Q72-K76 WeakPolarHBondContact O-CG 3.38Å; Q72-K76 PolarHBondContact O-N 3.38Å; S73-K76 PolarHBondContact O-N 3Å; K76-R78 PolarHBondContact O-N 3.26Å; K76-R83 VanDerWaalsContact C-NH1 3.3Å; K76-R83 PolarHBondContact O-NH1 2.73Å; K76-E932 VanDerWaalsContact CE-OE2 3.27Å; K76-E932 WeakPolarHBondContact CE-OE2 3.37Å; K76-E932 IonicContact NZ-OE1 2.8Å; K76-E932 PolarHBondContact NZ-OE1 3Å; K76-E932 IonicContact NZ-OE2 2.78Å; K76-E932 PolarHBondContact NZ-OE2 3.04Å |
| 77 | N | 91.8 | Very high | 93.5 | Very high | 83 Ų | 83 | 67.7 Ų | 67.7 | 44% | 0.444 | 36% | 0.363 | S | S | . | . | trans | -56.1 | 123 | 176.2 | -173 | -11.4 | 0 | 0 | 0 | 111.6 | S73 A79 N80 R83 | S73-N77 WeakPolarHBondContact O-CB 3.48Å; S73-N77 PolarHBondContact O-N 2.98Å; N77-A79 WeakPolarHBondContact OD1-CB 3.28Å; N77-A79 PolarHBondContact OD1-N 3.37Å; N77-N80 HydrophobicContact CB-CB 4.31Å; N77-R83 VanDerWaalsContact C-NH1 3.33Å; N77-R83 PolarHBondContact O-NH1 2.83Å | ||
| 78 | R | 89.9 | Confident | 93.6 | Very high | 165 Ų | 165 | 68 Ų | 68 | 62% | 0.623 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -83.1 | -16.9 | 179.1 | -59.8 | -170.4 | -165.3 | -170.5 | 9.4 | 113.6 | K76 | K76-R78 PolarHBondContact O-N 3.26Š|
| 79 | A | 91.5 | Very high | 93.5 | Very high | 88 Ų | 88 | 71.7 Ų | 71.7 | 73% | 0.727 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -88 | -4.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | N77 P81 | N77-A79 WeakPolarHBondContact OD1-CB 3.28Å; N77-A79 PolarHBondContact OD1-N 3.37Å; A79-P81 WeakPolarHBondContact O-CD 3.34Å |
| 80 | N | 89.8 | Confident | 93.5 | Very high | 33 Ų | 33 | 69.2 Ų | 69.2 | 18% | 0.176 | 38% | 0.378 | C | S | . | . | trans | -75.8 | 115.6 | 175.2 | -179.6 | 5.7 | 0 | 0 | 0 | 110.4 | Q74 N77 N82 R83 | Q74-N80 PolarHBondContact O-ND2 3.03Å; N77-N80 HydrophobicContact CB-CB 4.31Å; N80-N82 PolarHBondContact O-N 2.74Å; N80-N82 PolarHBondContact OD1-N 3.43Å; N80-R83 WeakPolarHBondContact O-CB 3.44Å; N80-R83 PolarHBondContact O-N 3.12Å | ||
| 81 | P | 90.6 | Very high | 93.7 | Very high | 115 Ų | 115 | 68.5 Ų | 68.5 | 75% | 0.747 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -29.1 | 178.1 | 26.4 | -33.8 | 0 | 0 | 0 | 112.7 | A79 R83 | A79-P81 WeakPolarHBondContact O-CD 3.34Å; P81-R83 VanDerWaalsContact C-N 3.3Å; P81-R83 PolarHBondContact O-N 3.09Å |
| 82 | N | 93.6 | Very high | 93.8 | Very high | 79 Ų | 79 | 73.2 Ų | 73.2 | 42% | 0.422 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | 17.7 | -177.7 | -64.8 | 40.8 | 0 | 0 | 0 | 112.2 | N80 S84 E85 V86 | N80-N82 PolarHBondContact O-N 2.74Å; N80-N82 PolarHBondContact OD1-N 3.43Å; N82-S84 VanDerWaalsContact C-N 3.27Å; N82-S84 PolarHBondContact O-N 3.11Å; N82-S84 VanDerWaalsContact O-N 3.13Å; N82-E85 HydrophobicContact CB-CB 4.44Å; N82-E85 PolarHBondContact ND2-OE2 2.69Å; N82-E85 WeakPolarHBondContact O-CB 3.44Å; N82-E85 PolarHBondContact O-N 3.03Å; N82-V86 HydrophobicContact CB-CG2 4.46Å; N82-V86 WeakPolarHBondContact O-CG2 3.34Å; N82-V86 PolarHBondContact O-N 2.84Å |
| 83 | R | 93.4 | Very high | 93.9 | Very high | 101 Ų | 101 | 72.6 Ų | 72.6 | 38% | 0.381 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -48.1 | -44 | -175.2 | -176.3 | -166.7 | 175.5 | 94.5 | 3.4 | 113.9 | A75 K76 N77 N80 P81 Q87 | A75-R83 WeakPolarHBondContact O-CG 3.42Å; A75-R83 PolarHBondContact O-NE 3Å; A75-R83 PolarHBondContact O-NH1 2.73Å; A75-R83 PolarHBondContact O-NH2 3.31Å; K76-R83 VanDerWaalsContact C-NH1 3.3Å; K76-R83 PolarHBondContact O-NH1 2.73Å; N77-R83 VanDerWaalsContact C-NH1 3.33Å; N77-R83 PolarHBondContact O-NH1 2.83Å; N80-R83 WeakPolarHBondContact O-CB 3.44Å; N80-R83 PolarHBondContact O-N 3.12Å; P81-R83 VanDerWaalsContact C-N 3.3Å; P81-R83 PolarHBondContact O-N 3.09Å; R83-Q87 WeakPolarHBondContact O-CB 3.45Å; R83-Q87 PolarHBondContact O-N 3.48Å |
| 84 | S | 93.6 | Very high | 94 | Very high | 95 Ų | 95 | 69.7 Ų | 69.7 | 66% | 0.664 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -68.5 | -41 | -179.5 | 45.2 | 0 | 0 | 0 | 0 | 112.8 | N82 Q87 A88 | N82-S84 VanDerWaalsContact C-N 3.27Å; N82-S84 PolarHBondContact O-N 3.11Å; N82-S84 VanDerWaalsContact O-N 3.13Å; S84-Q87 PolarHBondContact O-N 3.07Å; S84-A88 PolarHBondContact O-N 3Å |
| 85 | E | 95.3 | Very high | 94.1 | Very high | 101 Ų | 101 | 70.5 Ų | 70.5 | 47% | 0.472 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -64.8 | -47 | 174.8 | -173.6 | -167.8 | 179.8 | 0 | 0 | 110.8 | N82 Q87 A88 N89 | N82-E85 HydrophobicContact CB-CB 4.44Å; N82-E85 PolarHBondContact ND2-OE2 2.69Å; N82-E85 WeakPolarHBondContact O-CB 3.44Å; N82-E85 PolarHBondContact O-N 3.03Å; E85-Q87 VanDerWaalsContact C-N 3.3Å; E85-Q87 PolarHBondContact O-N 2.66Å; E85-A88 PolarHBondContact O-N 3.08Å; E85-A88 VanDerWaalsContact O-N 3.17Å; E85-N89 WeakPolarHBondContact O-CB 3.48Å; E85-N89 VanDerWaalsContact O-CG 3.26Å; E85-N89 PolarHBondContact O-N 3.28Å; E85-N89 PolarHBondContact O-ND2 3.11Å |
| 86 | V | 95 | Very high | 94.3 | Very high | 12 Ų | 12 | 72.6 Ų | 72.6 | 7% | 0.073 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -60.2 | -40.2 | 175.1 | 175.7 | 0 | 0 | 0 | 0 | 111.3 | L71 Q74 A75 N82 N89 L90 | L71-V86 HydrophobicContact CB-CG1 4.48Å; L71-V86 HydrophobicContact CD2-CG1 3.99Å; L71-V86 WeakPolarHBondContact O-CG1 3.46Å; Q74-V86 HydrophobicContact CB-CG1 3.63Å; Q74-V86 HydrophobicContact CB-CG2 4.45Å; A75-V86 HydrophobicContact CB-CG1 4.06Å; N82-V86 HydrophobicContact CB-CG2 4.46Å; N82-V86 WeakPolarHBondContact O-CG2 3.34Å; N82-V86 PolarHBondContact O-N 2.84Å; V86-N89 PolarHBondContact O-N 3.34Å; V86-L90 WeakPolarHBondContact O-CB 3.25Å; V86-L90 PolarHBondContact O-N 3.46Å |
| 87 | Q | 95.1 | Very high | 94.6 | Very high | 86 Ų | 86 | 68.2 Ų | 68.2 | 40% | 0.402 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -66.1 | -37.8 | 175.9 | -178.2 | 59.3 | 70.4 | 0 | 0 | 112.5 | A75 R83 S84 E85 L90 S91 | A75-Q87 HydrophobicContact CB-CB 4.39Å; R83-Q87 WeakPolarHBondContact O-CB 3.45Å; R83-Q87 PolarHBondContact O-N 3.48Å; S84-Q87 PolarHBondContact O-N 3.07Å; E85-Q87 VanDerWaalsContact C-N 3.3Å; E85-Q87 PolarHBondContact O-N 2.66Å; Q87-L90 PolarHBondContact O-N 3.29Å; Q87-S91 PolarHBondContact O-N 3.35Å; Q87-S91 PolarHBondContact O-OG 2.93Å; Q87-S91 VanDerWaalsContact O-OG 3.14Å |
| 88 | A | 95.7 | Very high | 94.8 | Very high | 58 Ų | 58 | 65.1 Ų | 65.1 | 48% | 0.479 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -66.8 | -43.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | S84 E85 L90 S91 L92 | S84-A88 PolarHBondContact O-N 3Å; E85-A88 PolarHBondContact O-N 3.08Å; E85-A88 VanDerWaalsContact O-N 3.17Å; A88-L90 VanDerWaalsContact C-N 3.34Å; A88-L90 PolarHBondContact O-N 3.12Å; A88-S91 PolarHBondContact O-N 3.14Å; A88-L92 PolarHBondContact O-N 3.34Å |
| 89 | N | 95.2 | Very high | 95.1 | Very high | 77 Ų | 77 | 59.1 Ų | 59.1 | 41% | 0.412 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62.7 | -38.6 | 175.3 | -70.1 | -23.5 | 0 | 0 | 0 | 111.8 | E85 V86 F93 | E85-N89 WeakPolarHBondContact O-CB 3.48Å; E85-N89 VanDerWaalsContact O-CG 3.26Å; E85-N89 PolarHBondContact O-N 3.28Å; E85-N89 PolarHBondContact O-ND2 3.11Å; V86-N89 PolarHBondContact O-N 3.34Å; N89-F93 VanDerWaalsContact O-CB 3.22Å; N89-F93 WeakPolarHBondContact O-CB 3.45Å; N89-F93 PolarHBondContact O-N 3.32Å |
| 90 | L | 96.6 | Very high | 95.4 | Very high | 7 Ų | 7 | 55.8 Ų | 55.8 | 4% | 0.037 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61.6 | -47 | 172.2 | 176.5 | 60.1 | 0 | 0 | 0 | 111.7 | I68 L71 Q72 A75 V86 Q87 A88 F93 L94 | I68-L90 HydrophobicContact CG2-CD1 4.45Å; L71-L90 HydrophobicContact CB-CB 4.12Å; L71-L90 HydrophobicContact CB-CD1 3.9Å; L71-L90 HydrophobicContact CB-CG 4.47Å; Q72-L90 HydrophobicContact CG-CD1 4.1Å; Q72-L90 HydrophobicContact CG-CD2 3.74Å; A75-L90 HydrophobicContact CB-CD2 4.46Å; V86-L90 WeakPolarHBondContact O-CB 3.25Å; V86-L90 PolarHBondContact O-N 3.46Å; Q87-L90 PolarHBondContact O-N 3.29Å; A88-L90 VanDerWaalsContact C-N 3.34Å; A88-L90 PolarHBondContact O-N 3.12Å; L90-F93 PolarHBondContact O-N 3.39Å; L90-L94 HydrophobicContact CD1-CD1 3.86Å; L90-L94 HydrophobicContact CD1-CG 4.03Å; L90-L94 HydrophobicContact CG-CD1 3.96Å; L90-L94 WeakPolarHBondContact O-CB 3.49Å; L90-L94 VanDerWaalsContact O-CG 3.3Å; L90-L94 WeakPolarHBondContact O-CG 3.3Å; L90-L94 PolarHBondContact O-N 2.94Å |
| 91 | S | 96.8 | Very high | 95.8 | Very high | 52 Ų | 52 | 54.2 Ų | 54.2 | 36% | 0.364 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60.1 | -48.5 | 177.6 | -63.7 | 0 | 0 | 0 | 0 | 111.6 | Q87 A88 F93 L94 E95 | Q87-S91 PolarHBondContact O-N 3.35Å; Q87-S91 PolarHBondContact O-OG 2.93Å; Q87-S91 VanDerWaalsContact O-OG 3.14Å; A88-S91 PolarHBondContact O-N 3.14Å; S91-F93 VanDerWaalsContact C-N 3.33Å; S91-F93 PolarHBondContact O-N 3.31Å; S91-L94 PolarHBondContact O-N 2.95Å; S91-E95 WeakPolarHBondContact O-CG 3.21Å; S91-E95 PolarHBondContact O-N 3.5Å |
| 92 | L | 96.2 | Very high | 95.9 | Very high | 115 Ų | 115 | 51 Ų | 51 | 60% | 0.602 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -61.5 | -40.2 | 177.2 | -178.1 | 63.4 | 0 | 0 | 0 | 112 | A88 E95 A96 | A88-L92 PolarHBondContact O-N 3.34Å; L92-E95 PolarHBondContact O-N 3Å; L92-A96 PolarHBondContact O-N 3.09Å |
| 93 | F | 97.1 | Very high | 96 | Very high | 14 Ų | 14 | 52.7 Ų | 52.7 | 6% | 0.061 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -66.3 | -40.8 | 177.5 | -168.2 | -90.8 | 0 | 0 | 0 | 112.4 | W29 A63 F64 Q67 I68 L71 N89 L90 S91 E95 A96 A97 | W29-F93 HydrophobicContact CZ3-CD2 4.04Å; W29-F93 HydrophobicContact CZ3-CE2 4.13Å; A63-F93 WeakPolarHBondContact O-CZ 3.5Å; F64-F93 HydrophobicContact CB-CE1 4.46Å; F64-F93 HydrophobicContact CD1-CE1 4.02Å; F64-F93 HydrophobicContact CD1-CZ 4.06Å; Q67-F93 HydrophobicContact CB-CE1 3.93Å; Q67-F93 HydrophobicContact CB-CE2 4.33Å; Q67-F93 HydrophobicContact CB-CZ 3.77Å; Q67-F93 HydrophobicContact CG-CD1 4.36Å; Q67-F93 HydrophobicContact CG-CD2 4.15Å; Q67-F93 HydrophobicContact CG-CE1 4.03Å; Q67-F93 HydrophobicContact CG-CE2 3.8Å; Q67-F93 HydrophobicContact CG-CG 4.43Å; Q67-F93 HydrophobicContact CG-CZ 3.74Å; I68-F93 HydrophobicContact CD1-CE1 4.33Å; I68-F93 HydrophobicContact CG1-CD1 3.81Å; I68-F93 HydrophobicContact CG1-CE1 3.81Å; L71-F93 HydrophobicContact CD1-CB 4.24Å; L71-F93 HydrophobicContact CD1-CG 4.38Å; N89-F93 VanDerWaalsContact O-CB 3.22Å; N89-F93 WeakPolarHBondContact O-CB 3.45Å; N89-F93 PolarHBondContact O-N 3.32Å; L90-F93 PolarHBondContact O-N 3.39Å; S91-F93 VanDerWaalsContact C-N 3.33Å; S91-F93 PolarHBondContact O-N 3.31Å; F93-E95 VanDerWaalsContact C-N 3.31Å; F93-A96 PolarHBondContact O-N 2.62Å; F93-A97 WeakPolarHBondContact O-CB 3.31Å; F93-A97 PolarHBondContact O-N 3.47Å |
| 94 | L | 97.9 | Very high | 96 | Very high | 3 Ų | 3 | 47.9 Ų | 47.9 | 2% | 0.016 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -67 | -32.1 | 174.7 | -71.8 | 169.9 | 0 | 0 | 0 | 112 | I68 L90 S91 S98 I160 Y163 R164 | I68-L94 HydrophobicContact CD1-CD2 3.81Å; I68-L94 HydrophobicContact CG1-CD2 3.95Å; I68-L94 HydrophobicContact CG2-CD2 4.22Å; L90-L94 HydrophobicContact CD1-CD1 3.86Å; L90-L94 HydrophobicContact CD1-CG 4.03Å; L90-L94 HydrophobicContact CG-CD1 3.96Å; L90-L94 WeakPolarHBondContact O-CB 3.49Å; L90-L94 VanDerWaalsContact O-CG 3.3Å; L90-L94 WeakPolarHBondContact O-CG 3.3Å; L90-L94 PolarHBondContact O-N 2.94Å; S91-L94 PolarHBondContact O-N 2.95Å; L94-S98 WeakPolarHBondContact O-CB 3.15Å; L94-S98 PolarHBondContact O-N 2.64Å; L94-I160 HydrophobicContact CB-CG2 4.36Å; L94-I160 HydrophobicContact CD2-CG2 4.26Å; L94-I160 VanDerWaalsContact O-CG2 3.25Å; L94-I160 WeakPolarHBondContact O-CG2 3.49Å; L94-Y163 HydrophobicContact CD2-CD2 4.11Å; L94-Y163 HydrophobicContact CD2-CG 4.43Å; L94-R164 HydrophobicContact CB-CG 3.79Å; L94-R164 HydrophobicContact CD1-CG 3.98Å; L94-R164 HydrophobicContact CG-CG 4.45Å |
| 95 | E | 96.5 | Very high | 96 | Very high | 101 Ų | 101 | 44.4 Ų | 44.4 | 47% | 0.472 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -72.6 | -42.6 | 174.9 | -73.3 | -175.7 | 164.4 | 0 | 0 | 112.3 | S91 L92 F93 A97 S98 G99 R164 | S91-E95 WeakPolarHBondContact O-CG 3.21Å; S91-E95 PolarHBondContact O-N 3.5Å; L92-E95 PolarHBondContact O-N 3Å; F93-E95 VanDerWaalsContact C-N 3.31Å; E95-A97 PolarHBondContact O-N 3.05Å; E95-S98 PolarHBondContact O-N 2.65Å; E95-G99 PolarHBondContact O-N 3.47Å; E95-R164 IonicContact OE1-CZ 2.68Å; E95-R164 IonicContact OE1-NE 3.87Å; E95-R164 IonicContact OE1-NH2 3.77Å; E95-R164 PolarHBondContact OE1-NH2 2.99Å |
| 96 | A | 96.3 | Very high | 95.7 | Very high | 47 Ų | 47 | 45.4 Ų | 45.4 | 39% | 0.388 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -59.4 | -44.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L92 F93 G99 F100 | L92-A96 PolarHBondContact O-N 3.09Å; F93-A96 PolarHBondContact O-N 2.62Å; A96-G99 PolarHBondContact O-N 2.93Å; A96-F100 PolarHBondContact O-N 2.91Å |
| 97 | A | 97.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.9 | -41 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | F64 F93 E95 G99 F100 Y101 I160 | F64-A97 HydrophobicContact CD1-CB 3.52Å; F64-A97 HydrophobicContact CE1-CB 3.71Å; F64-A97 HydrophobicContact CG-CB 4.4Å; F93-A97 WeakPolarHBondContact O-CB 3.31Å; F93-A97 PolarHBondContact O-N 3.47Å; E95-A97 PolarHBondContact O-N 3.05Å; A97-G99 VanDerWaalsContact C-N 3.33Å; A97-G99 PolarHBondContact O-N 3.24Å; A97-F100 PolarHBondContact O-N 3.47Å; A97-Y101 PolarHBondContact O-N 2.95Å; A97-I160 HydrophobicContact CB-CD1 3.72Å; A97-I160 HydrophobicContact CB-CG1 4.28Å |
| 98 | S | 97.4 | Very high | 95.3 | Very high | 18 Ų | 18 | 43.9 Ų | 43.9 | 13% | 0.126 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -62.8 | -40.6 | 175.3 | -165.8 | 0 | 0 | 0 | 0 | 111.5 | L94 E95 T102 | L94-S98 WeakPolarHBondContact O-CB 3.15Å; L94-S98 PolarHBondContact O-N 2.64Å; E95-S98 PolarHBondContact O-N 2.65Å; S98-T102 VanDerWaalsContact O-CB 3.31Å; S98-T102 WeakPolarHBondContact O-CB 3.43Å; S98-T102 PolarHBondContact O-N 3.12Å; S98-T102 VanDerWaalsContact O-N 3.13Å; S98-T102 PolarHBondContact O-OG1 3.32Å |
| 99 | G | 95.9 | Very high | 95 | Very high | 39 Ų | 39 | 41.2 Ų | 41.2 | 40% | 0.402 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -62.6 | -51.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | E95 A96 A97 Y101 T102 Q103 | E95-G99 PolarHBondContact O-N 3.47Å; A96-G99 PolarHBondContact O-N 2.93Å; A97-G99 VanDerWaalsContact C-N 3.33Å; A97-G99 PolarHBondContact O-N 3.24Å; G99-Y101 PolarHBondContact O-N 3.15Å; G99-T102 PolarHBondContact O-N 3.23Å; G99-Q103 PolarHBondContact O-N 3.32Å |
| 100 | F | 97.8 | Very high | 94.5 | Very high | 19 Ų | 19 | 41.2 Ų | 41.2 | 8% | 0.083 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -55.3 | -53.9 | 178.6 | 174.4 | -93.1 | 0 | 0 | 0 | 112.5 | Q36 Q40 L59 F64 A96 A97 T102 Q103 L104 | Q36-F100 HydrophobicContact CB-CD2 4.26Å; Q36-F100 HydrophobicContact CB-CE2 3.74Å; Q36-F100 HydrophobicContact CB-CZ 4.17Å; Q36-F100 HydrophobicContact CG-CE2 4.39Å; Q40-F100 HydrophobicContact CB-CE2 4.45Å; Q40-F100 HydrophobicContact CB-CZ 4.46Å; L59-F100 HydrophobicContact CD1-CE1 3.91Å; L59-F100 HydrophobicContact CD1-CZ 3.83Å; L59-F100 HydrophobicContact CD2-CE1 3.88Å; L59-F100 HydrophobicContact CD2-CZ 3.94Å; L59-F100 HydrophobicContact CG-CE1 4.16Å; L59-F100 HydrophobicContact CG-CZ 4.38Å; F64-F100 HydrophobicContact CE1-CD1 4.48Å; F64-F100 AromaticContact CE2-CD1 3.58Å; F64-F100 HydrophobicContact CE2-CD1 3.58Å; F64-F100 AromaticContact CE2-CE1 3.72Å; F64-F100 HydrophobicContact CE2-CE1 3.72Å; F64-F100 HydrophobicContact CE2-CG 4.33Å; F64-F100 HydrophobicContact CZ-CB 4.03Å; F64-F100 AromaticContact CZ-CD1 3.35Å; F64-F100 HydrophobicContact CZ-CD1 3.35Å; F64-F100 HydrophobicContact CZ-CD2 4.43Å; F64-F100 AromaticContact CZ-CE1 3.91Å; F64-F100 HydrophobicContact CZ-CE1 3.91Å; F64-F100 AromaticContact CZ-CG 3.66Å; F64-F100 HydrophobicContact CZ-CG 3.66Å; A96-F100 PolarHBondContact O-N 2.91Å; A97-F100 PolarHBondContact O-N 3.47Å; F100-T102 VanDerWaalsContact C-N 3.27Å; F100-T102 PolarHBondContact O-N 3.3Å; F100-Q103 PolarHBondContact O-N 3.21Å; F100-L104 HydrophobicContact CE1-CD2 3.88Å; F100-L104 HydrophobicContact CZ-CD2 4.17Å; F100-L104 WeakPolarHBondContact O-CB 3.37Å; F100-L104 PolarHBondContact O-N 2.92Å |
| 101 | Y | 97.7 | Very high | 94 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -67.5 | -27.3 | -179.6 | -85.7 | -79.2 | 0 | 0 | 0 | 113.1 | W60 F64 A97 G99 L104 L105 C153 H156 I160 | W60-Y101 WeakPolarHBondContact CA-OH 3.2Å; W60-Y101 WeakPolarHBondContact CB-OH 3.23Å; W60-Y101 AromaticContact CE3-CE2 3.85Å; W60-Y101 HydrophobicContact CE3-CE2 3.85Å; W60-Y101 HydrophobicContact CZ3-CE2 4.17Å; F64-Y101 AromaticContact CD2-CE2 3.65Å; F64-Y101 HydrophobicContact CD2-CE2 3.65Å; F64-Y101 HydrophobicContact CE2-CD2 4.4Å; F64-Y101 AromaticContact CE2-CE2 3.69Å; F64-Y101 HydrophobicContact CE2-CE2 3.69Å; F64-Y101 HydrophobicContact CG-CE2 4.32Å; F64-Y101 HydrophobicContact CZ-CE2 4.4Å; A97-Y101 PolarHBondContact O-N 2.95Å; G99-Y101 PolarHBondContact O-N 3.15Å; Y101-L104 HydrophobicContact CD1-CD2 4.25Å; Y101-L104 HydrophobicContact CE1-CD2 4.35Å; Y101-L105 VanDerWaalsContact O-CB 3.24Å; Y101-L105 WeakPolarHBondContact O-CB 3.5Å; Y101-L105 PolarHBondContact O-N 3.02Å; Y101-C153 HydrophobicContact CD1-CB 4.16Å; Y101-H156 HydrophobicContact CD1-CB 4.44Å; Y101-H156 HydrophobicContact CE1-CB 4.14Å; Y101-H156 HydrophobicContact CE2-CB 4.32Å; Y101-I160 HydrophobicContact CD2-CD1 3.83Å; Y101-I160 HydrophobicContact CE2-CD1 4.43Å |
| 102 | T | 93.9 | Very high | 93.4 | Very high | 46 Ų | 46 | 42.1 Ų | 42.1 | 28% | 0.282 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -68.9 | -45.1 | 172.9 | -58.4 | 0 | 0 | 0 | 0 | 110.9 | S98 G99 F100 L105 Q106 | S98-T102 VanDerWaalsContact O-CB 3.31Å; S98-T102 WeakPolarHBondContact O-CB 3.43Å; S98-T102 PolarHBondContact O-N 3.12Å; S98-T102 VanDerWaalsContact O-N 3.13Å; S98-T102 PolarHBondContact O-OG1 3.32Å; G99-T102 PolarHBondContact O-N 3.23Å; F100-T102 VanDerWaalsContact C-N 3.27Å; F100-T102 PolarHBondContact O-N 3.3Å; T102-L105 PolarHBondContact O-N 3.42Å; T102-Q106 VanDerWaalsContact O-CG 3.31Å; T102-Q106 WeakPolarHBondContact O-CG 3.36Å; T102-Q106 PolarHBondContact O-N 2.75Å |
| 103 | Q | 94.1 | Very high | 92.6 | Very high | 115 Ų | 115 | 41.7 Ų | 41.7 | 54% | 0.537 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -65.1 | -46.6 | 176.9 | -178.7 | 178.6 | -17.7 | 0 | 0 | 111.6 | G99 F100 L105 Q106 E107 | G99-Q103 PolarHBondContact O-N 3.32Å; F100-Q103 PolarHBondContact O-N 3.21Å; Q103-L105 PolarHBondContact O-N 2.68Å; Q103-Q106 PolarHBondContact O-N 3.41Å; Q103-E107 PolarHBondContact O-N 3.31Å |
| 104 | L | 94.8 | Very high | 91.8 | Very high | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -57.8 | -46.6 | 176 | 176.7 | 62.7 | 0 | 0 | 0 | 111.2 | Q40 L43 L59 F100 Y101 Q106 E107 L108 | Q40-L104 HydrophobicContact CB-CD1 4.4Å; Q40-L104 HydrophobicContact CG-CD1 4.01Å; L43-L104 HydrophobicContact CD1-CD1 4.41Å; L43-L104 HydrophobicContact CD1-CD2 4.32Å; L59-L104 HydrophobicContact CD2-CD2 4.04Å; F100-L104 HydrophobicContact CE1-CD2 3.88Å; F100-L104 HydrophobicContact CZ-CD2 4.17Å; F100-L104 WeakPolarHBondContact O-CB 3.37Å; F100-L104 PolarHBondContact O-N 2.92Å; Y101-L104 HydrophobicContact CD1-CD2 4.25Å; Y101-L104 HydrophobicContact CE1-CD2 4.35Å; L104-Q106 PolarHBondContact O-N 3.42Å; L104-E107 PolarHBondContact O-N 3.38Å; L104-L108 HydrophobicContact CD1-CD1 3.92Å; L104-L108 HydrophobicContact CD1-CG 4.09Å; L104-L108 HydrophobicContact CG-CD1 3.82Å; L104-L108 HydrophobicContact CG-CG 4.42Å; L104-L108 WeakPolarHBondContact O-CB 3.44Å; L104-L108 WeakPolarHBondContact O-CD1 3.3Å; L104-L108 WeakPolarHBondContact O-CG 3.35Å; L104-L108 PolarHBondContact O-N 3.23Å |
| 105 | L | 93.4 | Very high | 90.4 | Very high | 21 Ų | 21 | 46 Ų | 46 | 11% | 0.11 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61 | -43.8 | 176.2 | -180 | 60.6 | 0 | 0 | 0 | 111.6 | Y101 T102 Q103 E107 C109 L116 C150 C153 L154 L157 | Y101-L105 VanDerWaalsContact O-CB 3.24Å; Y101-L105 WeakPolarHBondContact O-CB 3.5Å; Y101-L105 PolarHBondContact O-N 3.02Å; T102-L105 PolarHBondContact O-N 3.42Å; Q103-L105 PolarHBondContact O-N 2.68Å; L105-E107 PolarHBondContact O-N 3.31Å; L105-C109 WeakPolarHBondContact O-CB 3.48Å; L105-C109 PolarHBondContact O-N 3.31Å; L105-C109 PolarHBondContact O-SG 3.47Å; L105-L116 HydrophobicContact CD1-CD1 4.13Å; L105-C150 HydrophobicContact CD1-CB 3.89Å; L105-C153 HydrophobicContact CB-CB 4.18Å; L105-C153 HydrophobicContact CD1-CB 4.21Å; L105-L154 HydrophobicContact CD2-CD2 3.79Å; L105-L154 HydrophobicContact CD2-CG 4.08Å; L105-L157 HydrophobicContact CD2-CD1 4.03Å |
| 106 | Q | 89.6 | Confident | 89.2 | Confident | 123 Ų | 123 | 41.7 Ų | 41.7 | 58% | 0.575 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -61.3 | -42.7 | 176.9 | -74 | 175.7 | 14.3 | 0 | 0 | 112.4 | T102 Q103 L104 C109 T110 | T102-Q106 VanDerWaalsContact O-CG 3.31Å; T102-Q106 WeakPolarHBondContact O-CG 3.36Å; T102-Q106 PolarHBondContact O-N 2.75Å; Q103-Q106 PolarHBondContact O-N 3.41Å; L104-Q106 PolarHBondContact O-N 3.42Å; Q106-C109 PolarHBondContact O-N 2.97Å; Q106-T110 WeakPolarHBondContact O-CG2 3.22Å; Q106-T110 PolarHBondContact O-N 3.33Å; Q106-T110 PolarHBondContact O-OG1 3.04Å |
| 107 | E | 90.6 | Very high | 87.6 | Confident | 65 Ų | 65 | 42.3 Ų | 42.3 | 30% | 0.304 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -66.9 | -46.3 | 178.4 | -172.5 | 171 | -158.2 | 0 | 0 | 112.2 | Q40 V44 Q103 L104 L105 C109 T110 V111 | Q40-E107 PolarHBondContact NE2-OE2 3.04Å; V44-E107 HydrophobicContact CG1-CG 4.23Å; V44-E107 HydrophobicContact CG2-CG 3.92Å; Q103-E107 PolarHBondContact O-N 3.31Å; L104-E107 PolarHBondContact O-N 3.38Å; L105-E107 PolarHBondContact O-N 3.31Å; E107-C109 PolarHBondContact O-N 2.79Å; E107-T110 WeakPolarHBondContact CA-OG1 3.3Å; E107-T110 PolarHBondContact O-N 2.92Å; E107-T110 PolarHBondContact O-OG1 3.41Å; E107-V111 HydrophobicContact CG-CG2 4.12Å; E107-V111 WeakPolarHBondContact O-CB 3.24Å; E107-V111 VanDerWaalsContact O-CG2 3.32Å; E107-V111 WeakPolarHBondContact O-CG2 3.16Å; E107-V111 PolarHBondContact O-N 3.44Å |
| 108 | L | 90.7 | Very high | 85.6 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58 | -39.4 | 174.2 | -66.7 | 165.5 | 0 | 0 | 0 | 111.2 | L43 V44 L104 F112 I149 | L43-L108 HydrophobicContact CB-CD2 4.45Å; V44-L108 HydrophobicContact CG2-CD2 4.22Å; L104-L108 HydrophobicContact CD1-CD1 3.92Å; L104-L108 HydrophobicContact CD1-CG 4.09Å; L104-L108 HydrophobicContact CG-CD1 3.82Å; L104-L108 HydrophobicContact CG-CG 4.42Å; L104-L108 WeakPolarHBondContact O-CB 3.44Å; L104-L108 WeakPolarHBondContact O-CD1 3.3Å; L104-L108 WeakPolarHBondContact O-CG 3.35Å; L104-L108 PolarHBondContact O-N 3.23Å; L108-F112 HydrophobicContact CB-CD2 4.46Å; L108-F112 HydrophobicContact CD2-CD2 4.07Å; L108-F112 HydrophobicContact CD2-CE2 3.54Å; L108-F112 WeakPolarHBondContact O-CB 3.29Å; L108-F112 PolarHBondContact O-N 3.36Å; L108-I149 HydrophobicContact CD1-CG1 3.73Å; L108-I149 HydrophobicContact CD1-CG2 4.09Å; L108-I149 HydrophobicContact CD2-CG1 4.44Å; L108-I149 HydrophobicContact CD2-CG2 4.19Å |
| 109 | C | 87.8 | Confident | 83.8 | Confident | 3 Ų | 3 | 47.2 Ų | 47.2 | 2% | 0.02 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -72.2 | -33.9 | 177.8 | -65.3 | 0 | 0 | 0 | 0 | 113.8 | L105 Q106 E107 N113 V114 L116 R119 | L105-C109 WeakPolarHBondContact O-CB 3.48Å; L105-C109 PolarHBondContact O-N 3.31Å; L105-C109 PolarHBondContact O-SG 3.47Å; Q106-C109 PolarHBondContact O-N 2.97Å; E107-C109 PolarHBondContact O-N 2.79Å; C109-N113 VanDerWaalsContact O-CA 3.3Å; C109-N113 WeakPolarHBondContact O-CA 3.46Å; C109-N113 PolarHBondContact O-N 2.97Å; C109-V114 PolarHBondContact O-N 3.28Å; C109-L116 WeakPolarHBondContact SG-CD1 3.41Å; C109-R119 VanDerWaalsContact O-CZ 3.32Å; C109-R119 PolarHBondContact O-NH1 2.97Å; C109-R119 PolarHBondContact O-NH2 3.37Å |
| 110 | T | 86.1 | Confident | 81.8 | Confident | 77 Ų | 77 | 49.9 Ų | 49.9 | 47% | 0.472 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -76 | -43.1 | 176.2 | 51.2 | 0 | 0 | 0 | 0 | 111.8 | Q106 E107 R119 | Q106-T110 WeakPolarHBondContact O-CG2 3.22Å; Q106-T110 PolarHBondContact O-N 3.33Å; Q106-T110 PolarHBondContact O-OG1 3.04Å; E107-T110 WeakPolarHBondContact CA-OG1 3.3Å; E107-T110 PolarHBondContact O-N 2.92Å; E107-T110 PolarHBondContact O-OG1 3.41Å; T110-R119 VanDerWaalsContact CG2-NH2 3.32Å |
| 111 | V | 85.9 | Confident | 79.5 | Confident | 51 Ų | 51 | 52.9 Ų | 52.9 | 31% | 0.309 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -72.8 | -46.2 | -177 | 175.4 | 0 | 0 | 0 | 0 | 111.7 | V44 E107 I138 | V44-V111 HydrophobicContact CG1-CB 4.46Å; V44-V111 HydrophobicContact CG1-CG1 4.23Å; V44-V111 HydrophobicContact CG1-CG2 4.01Å; E107-V111 HydrophobicContact CG-CG2 4.12Å; E107-V111 WeakPolarHBondContact O-CB 3.24Å; E107-V111 VanDerWaalsContact O-CG2 3.32Å; E107-V111 WeakPolarHBondContact O-CG2 3.16Å; E107-V111 PolarHBondContact O-N 3.44Å; V111-I138 HydrophobicContact CG1-CD1 3.78Å; V111-I138 HydrophobicContact CG1-CG2 4.17Å |
| 112 | F | 84.5 | Confident | 77.4 | Confident | 27 Ų | 27 | 55.8 Ų | 55.8 | 12% | 0.118 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -93.5 | 7.9 | -179.9 | -52 | -41.4 | 0 | 0 | 0 | 113.9 | L43 L47 L108 V114 I138 P141 C146 | L43-F112 WeakPolarHBondContact O-CZ 3.4Å; L47-F112 HydrophobicContact CB-CE2 4.19Å; L47-F112 HydrophobicContact CB-CZ 4.02Å; L47-F112 HydrophobicContact CD2-CD2 4.28Å; L47-F112 HydrophobicContact CD2-CE2 3.81Å; L47-F112 HydrophobicContact CD2-CZ 4.4Å; L47-F112 HydrophobicContact CG-CE2 4.43Å; L108-F112 HydrophobicContact CB-CD2 4.46Å; L108-F112 HydrophobicContact CD2-CD2 4.07Å; L108-F112 HydrophobicContact CD2-CE2 3.54Å; L108-F112 WeakPolarHBondContact O-CB 3.29Å; L108-F112 PolarHBondContact O-N 3.36Å; F112-V114 HydrophobicContact CB-CG2 4.23Å; F112-V114 PolarHBondContact O-N 3.23Å; F112-I138 HydrophobicContact CE1-CG2 4.05Å; F112-P141 HydrophobicContact CB-CG 4.41Å; F112-P141 HydrophobicContact CD1-CG 3.52Å; F112-P141 HydrophobicContact CD2-CG 4.31Å; F112-P141 HydrophobicContact CE1-CG 3.76Å; F112-P141 HydrophobicContact CE2-CG 4.49Å; F112-P141 HydrophobicContact CG-CG 3.84Å; F112-P141 HydrophobicContact CZ-CG 4.24Å; F112-C146 HydrophobicContact CB-CB 4.48Å |
| 113 | N | 79.5 | Confident | 75.2 | Confident | 105 Ų | 105 | 56.3 Ų | 56.3 | 56% | 0.561 | 31% | 0.306 | S | S | * | . | trans | 52.4 | 36.7 | 177.4 | -164.9 | 64.2 | 0 | 0 | 0 | 114.4 | C109 D115 | C109-N113 VanDerWaalsContact O-CA 3.3Å; C109-N113 WeakPolarHBondContact O-CA 3.46Å; C109-N113 PolarHBondContact O-N 2.97Å; N113-D115 PolarHBondContact O-N 3.38Å | ||
| 114 | V | 78.8 | Confident | 73 | Confident | 17 Ų | 17 | 56.2 Ų | 56.2 | 10% | 0.103 | 31% | 0.305 | C | S | . | . | trans | -74.8 | 116.7 | 176 | -175 | 0 | 0 | 0 | 0 | 109.5 | C109 F112 L116 R119 C146 | C109-V114 PolarHBondContact O-N 3.28Å; F112-V114 HydrophobicContact CB-CG2 4.23Å; F112-V114 PolarHBondContact O-N 3.23Å; V114-L116 HydrophobicContact CG1-CD1 4.05Å; V114-L116 HydrophobicContact CG1-CG 4.28Å; V114-R119 PolarHBondContact O-NH1 3.3Å; V114-C146 HydrophobicContact CG2-CB 3.73Å | ||
| 115 | D | 70.2 | Confident | 71.1 | Confident | 92 Ų | 92 | 61.3 Ų | 61.3 | 49% | 0.492 | 33% | 0.332 | S | S | . | . | trans | -85.2 | 118.7 | 170.9 | -138.1 | 21 | 0 | 0 | 0 | 109 | N113 R121 | N113-D115 PolarHBondContact O-N 3.38Å; D115-R121 IonicContact OD1-CZ 3.44Å; D115-R121 IonicContact OD1-NE 2.73Å; D115-R121 PolarHBondContact OD1-NE 3.24Å; D115-R121 IonicContact OD1-NH2 2.74Å; D115-R121 IonicContact OD2-CZ 3.73Å; D115-R121 IonicContact OD2-NE 3.19Å; D115-R121 PolarHBondContact OD2-NE 3.11Å; D115-R121 IonicContact OD2-NH2 3.81Å; D115-R121 PolarHBondContact OD2-NH2 3.42Å | ||
| 116 | L | 71.3 | Confident | 68.9 | Low | 9 Ų | 9 | 63.4 Ų | 63.4 | 5% | 0.047 | 36% | 0.359 | C | S | . | . | trans | -119.5 | 131.6 | -172.4 | -114.6 | 151.8 | 0 | 0 | 0 | 107.9 | L105 C109 V114 C118 R119 C150 L154 L180 | L105-L116 HydrophobicContact CD1-CD1 4.13Å; C109-L116 WeakPolarHBondContact SG-CD1 3.41Å; V114-L116 HydrophobicContact CG1-CD1 4.05Å; V114-L116 HydrophobicContact CG1-CG 4.28Å; L116-C118 PolarHBondContact O-N 2.93Å; L116-R119 HydrophobicContact CB-CB 3.94Å; L116-R119 WeakPolarHBondContact O-CB 3.41Å; L116-R119 PolarHBondContact O-N 3.22Å; L116-C150 HydrophobicContact CD1-CB 4.11Å; L116-L154 HydrophobicContact CD2-CD1 4.02Å; L116-L180 HydrophobicContact CD1-CD2 4.47Å; L116-L180 HydrophobicContact CD2-CD2 4.34Å | ||
| 117 | P | 61 | Low | 67.2 | Low | 60 Ų | 60 | 63.9 Ų | 63.9 | 39% | 0.39 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -19 | -172 | -29.3 | 36.8 | 0 | 0 | 0 | 116.1 | Q440 | P117-Q440 PolarHBondContact O-NE2 2.92Š|
| 118 | C | 57.6 | Low | 65.2 | Low | 68 Ų | 68 | 65.9 Ų | 65.9 | 46% | 0.459 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | -1.5 | 175 | 56.9 | 0 | 0 | 0 | 0 | 114.1 | L116 | L116-C118 PolarHBondContact O-N 2.93Š|
| 119 | R | 59.8 | Low | 63.1 | Low | 53 Ų | 53 | 70.1 Ų | 70.1 | 20% | 0.2 | 41% | 0.405 | C | S | . | . | trans | -99 | 103.2 | -177.3 | -179.2 | -167.3 | 176.6 | -157.1 | -0.4 | 110.5 | C109 T110 V114 L116 R121 | C109-R119 VanDerWaalsContact O-CZ 3.32Å; C109-R119 PolarHBondContact O-NH1 2.97Å; C109-R119 PolarHBondContact O-NH2 3.37Å; T110-R119 VanDerWaalsContact CG2-NH2 3.32Å; V114-R119 PolarHBondContact O-NH1 3.3Å; L116-R119 HydrophobicContact CB-CB 3.94Å; L116-R119 WeakPolarHBondContact O-CB 3.41Å; L116-R119 PolarHBondContact O-N 3.22Å; R119-R121 PolarHBondContact O-N 2.84Å | ||
| 120 | V | 52.1 | Low | 61 | Low | 96 Ų | 96 | 75.3 Ų | 75.3 | 58% | 0.582 | 43% | 0.433 | S | S | * | . | trans | -68.5 | 119.9 | 160.5 | -173.1 | 0 | 0 | 0 | 0 | 108.1 | L125 | V120-L125 HydrophobicContact CG1-CD1 3.92Å; V120-L125 HydrophobicContact CG1-CD2 3.93Å; V120-L125 HydrophobicContact CG1-CG 3.66Å | ||
| 121 | R | 51.1 | Low | 59.1 | Low | 81 Ų | 81 | 82.3 Ų | 82.3 | 31% | 0.306 | 45% | 0.45 | S | S | . | . | trans | -73.2 | 137.3 | 176.2 | -55.9 | -176.2 | -132.8 | 126.8 | -2.3 | 109.6 | D115 R119 S123 Q124 L125 | D115-R121 IonicContact OD1-CZ 3.44Å; D115-R121 IonicContact OD1-NE 2.73Å; D115-R121 PolarHBondContact OD1-NE 3.24Å; D115-R121 IonicContact OD1-NH2 2.74Å; D115-R121 IonicContact OD2-CZ 3.73Å; D115-R121 IonicContact OD2-NE 3.19Å; D115-R121 PolarHBondContact OD2-NE 3.11Å; D115-R121 IonicContact OD2-NH2 3.81Å; D115-R121 PolarHBondContact OD2-NH2 3.42Å; R119-R121 PolarHBondContact O-N 2.84Å; R121-S123 PolarHBondContact O-N 3.37Å; R121-Q124 HydrophobicContact CB-CB 4.45Å; R121-Q124 HydrophobicContact CB-CG 4.13Å; R121-Q124 VanDerWaalsContact CB-OE1 3.26Å; R121-Q124 VanDerWaalsContact CG-OE1 3.31Å; R121-Q124 WeakPolarHBondContact O-CB 3.41Å; R121-Q124 PolarHBondContact O-N 3.26Å; R121-L125 PolarHBondContact O-N 3.36Å | ||
| 122 | S | 52.1 | Low | 57.5 | Low | 62 Ų | 62 | 87.1 Ų | 87.1 | 43% | 0.434 | 47% | 0.469 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -20.7 | 176 | -39.3 | 0 | 0 | 0 | 0 | 113.7 | ||
| 123 | S | 48.6 | Very low | 55.5 | Low | 57 Ų | 57 | 89.4 Ų | 89.4 | 40% | 0.399 | 50% | 0.501 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -26.4 | 172.1 | 51.9 | 0 | 0 | 0 | 0 | 114.2 | R121 L125 G126 | R121-S123 PolarHBondContact O-N 3.37Å; S123-L125 VanDerWaalsContact C-N 3.35Å; S123-G126 PolarHBondContact O-N 2.8Å |
| 124 | Q | 48.8 | Very low | 54.2 | Low | 113 Ų | 113 | 88.7 Ų | 88.7 | 53% | 0.528 | 52% | 0.518 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -28.8 | 171.1 | -72.1 | 165.1 | -51.8 | 0 | 0 | 111.6 | R121 G126 | R121-Q124 HydrophobicContact CB-CB 4.45Å; R121-Q124 HydrophobicContact CB-CG 4.13Å; R121-Q124 VanDerWaalsContact CB-OE1 3.26Å; R121-Q124 VanDerWaalsContact CG-OE1 3.31Å; R121-Q124 WeakPolarHBondContact O-CB 3.41Å; R121-Q124 PolarHBondContact O-N 3.26Å; Q124-G126 PolarHBondContact O-N 2.97Å |
| 125 | L | 54.5 | Low | 52.5 | Low | 107 Ų | 107 | 91.6 Ų | 91.6 | 56% | 0.56 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | -6.2 | 171.8 | -66.6 | 170.6 | 0 | 0 | 0 | 113.4 | V120 R121 S123 I127 | V120-L125 HydrophobicContact CG1-CD1 3.92Å; V120-L125 HydrophobicContact CG1-CD2 3.93Å; V120-L125 HydrophobicContact CG1-CG 3.66Å; R121-L125 PolarHBondContact O-N 3.36Å; S123-L125 VanDerWaalsContact C-N 3.35Å; L125-I127 HydrophobicContact CB-CD1 3.95Å; L125-I127 HydrophobicContact CB-CG1 3.97Å; L125-I127 HydrophobicContact CD1-CD1 4.29Å; L125-I127 PolarHBondContact O-N 3.39Å |
| 126 | G | 45.9 | Very low | 51.8 | Low | 65 Ų | 65 | 89.8 Ų | 89.8 | 67% | 0.67 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 69.6 | -6.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | S123 Q124 I128 | S123-G126 PolarHBondContact O-N 2.8Å; Q124-G126 PolarHBondContact O-N 2.97Å; G126-I128 PolarHBondContact O-N 2.85Å |
| 127 | I | 54.8 | Low | 51.5 | Low | 134 Ų | 134 | 94.3 Ų | 94.3 | 69% | 0.687 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -67.7 | -34.9 | -173.3 | -56.7 | 172.8 | 0 | 0 | 0 | 111.8 | L125 | L125-I127 HydrophobicContact CB-CD1 3.95Å; L125-I127 HydrophobicContact CB-CG1 3.97Å; L125-I127 HydrophobicContact CD1-CD1 4.29Å; L125-I127 PolarHBondContact O-N 3.39Å |
| 128 | I | 48.5 | Very low | 52.3 | Low | 106 Ų | 106 | 94.9 Ų | 94.9 | 54% | 0.544 | 59% | 0.593 | S | S | . | * | S | Bend | trans | -138 | 120.3 | -176.9 | -41.3 | 179.7 | 0 | 0 | 0 | 110.4 | G126 | G126-I128 PolarHBondContact O-N 2.85Š|
| 129 | S | 46.3 | Very low | 53.4 | Low | 90 Ų | 90 | 94.8 Ų | 94.8 | 63% | 0.629 | 59% | 0.59 | S | S | * | * | trans | -61.3 | 134.7 | 166.4 | 62.2 | 0 | 0 | 0 | 0 | 110 | R131 | S129-R131 PolarHBondContact O-N 3.14Š| ||
| 130 | N | 44.7 | Very low | 54.5 | Low | 111 Ų | 111 | 98.3 Ų | 98.3 | 59% | 0.594 | 62% | 0.618 | S | S | * | * | trans | -71.1 | 69.2 | -177.8 | -170.4 | 26.3 | 0 | 0 | 0 | 113.1 | Q132 | N130-Q132 PolarHBondContact O-N 3.36Å; N130-Q132 VanDerWaalsContact O-N 3.11Å | ||
| 131 | R | 44.5 | Very low | 56.2 | Low | 224 Ų | 224 | 94.7 Ų | 94.7 | 85% | 0.845 | 60% | 0.596 | S | S | * | * | trans | -73.4 | 94.3 | 163.7 | -80 | -173.2 | 165.5 | -156.1 | -4.3 | 107.8 | S129 G133 | S129-R131 PolarHBondContact O-N 3.14Å; R131-G133 PolarHBondContact O-N 3.12Å | ||
| 132 | Q | 52.5 | Low | 58.1 | Low | 152 Ų | 152 | 96.3 Ų | 96.3 | 71% | 0.71 | 61% | 0.607 | S | S | * | * | trans | -55.3 | 107.9 | 163.7 | -73.4 | 177.2 | -31.6 | 0 | 0 | 108.4 | N130 G134 | N130-Q132 PolarHBondContact O-N 3.36Å; N130-Q132 VanDerWaalsContact O-N 3.11Å; Q132-G134 PolarHBondContact O-N 3Å | ||
| 133 | G | 43.5 | Very low | 59.8 | Low | 75 Ų | 75 | 98 Ų | 98 | 77% | 0.773 | 62% | 0.616 | S | S | * | * | trans | -72.9 | 91.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | R131 G135 | R131-G133 PolarHBondContact O-N 3.12Å; G133-G135 VanDerWaalsContact C-N 3.3Å; G133-G135 PolarHBondContact O-N 2.86Å | ||
| 134 | G | 50.8 | Low | 61.8 | Low | 90 Ų | 90 | 99.3 Ų | 99.3 | 93% | 0.928 | 63% | 0.625 | S | S | * | * | trans | -61.8 | 89.8 | 172 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q132 | Q132-G134 PolarHBondContact O-N 3Š| ||
| 135 | G | 43.5 | Very low | 63.9 | Low | 78 Ų | 78 | 94.6 Ų | 94.6 | 80% | 0.804 | 61% | 0.605 | S | S | * | * | trans | -137.4 | 15.7 | -166.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | G133 | G133-G135 VanDerWaalsContact C-N 3.3Å; G133-G135 PolarHBondContact O-N 2.86Å | ||
| 136 | G | 55.1 | Low | 65.7 | Low | 55 Ų | 55 | 89.9 Ų | 89.9 | 57% | 0.567 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -175.7 | 156.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | I138 | G136-I138 PolarHBondContact O-N 3.44Š|
| 137 | A | 66.4 | Low | 67.9 | Low | 104 Ų | 104 | 88.3 Ų | 88.3 | 86% | 0.86 | 56% | 0.56 | S | S | * | * | trans | -80.4 | 68.8 | 172 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 138 | I | 78 | Confident | 69.7 | Low | 71 Ų | 71 | 85.4 Ų | 85.4 | 36% | 0.364 | 54% | 0.54 | S | S | . | . | trans | -72.5 | 124.8 | 178.6 | -61.3 | 171.9 | 0 | 0 | 0 | 108.5 | V44 V111 F112 G136 T140 | V44-I138 WeakPolarHBondContact O-CG2 3.44Å; V111-I138 HydrophobicContact CG1-CD1 3.78Å; V111-I138 HydrophobicContact CG1-CG2 4.17Å; F112-I138 HydrophobicContact CE1-CG2 4.05Å; G136-I138 PolarHBondContact O-N 3.44Å; I138-T140 PolarHBondContact O-N 3.45Å | ||
| 139 | V | 80.4 | Confident | 72 | Confident | 67 Ų | 67 | 80.3 Ų | 80.3 | 41% | 0.406 | 52% | 0.515 | S | S | . | . | trans | -73.8 | 123.5 | 175.3 | -177.4 | 0 | 0 | 0 | 0 | 108.3 | T45 D46 P141 | T45-V139 PolarHBondContact O-N 3.03Å; D46-V139 HydrophobicContact CB-CG2 4.12Å; V139-P141 WeakPolarHBondContact O-CD 3.48Å | ||
| 140 | T | 82.8 | Confident | 74.3 | Confident | 127 Ų | 127 | 76 Ų | 76 | 78% | 0.779 | 49% | 0.485 | S | S | * | . | trans | -65.7 | 115.3 | 178 | -49.6 | 0 | 0 | 0 | 0 | 110.2 | I138 | I138-T140 PolarHBondContact O-N 3.45Š| ||
| 141 | P | 88.1 | Confident | 76.7 | Confident | 19 Ų | 19 | 70.8 Ų | 70.8 | 12% | 0.123 | 46% | 0.457 | C | S | . | . | trans | -80.6 | 169.9 | -177.4 | 34.9 | -39 | 0 | 0 | 0 | 112.9 | L47 E48 F112 V139 C146 | L47-P141 HydrophobicContact CB-CB 4.1Å; L47-P141 HydrophobicContact CD2-CB 3.92Å; L47-P141 HydrophobicContact CD2-CG 4.43Å; E48-P141 WeakPolarHBondContact OE1-CA 3.27Å; E48-P141 WeakPolarHBondContact OE1-CB 3.5Å; F112-P141 HydrophobicContact CB-CG 4.41Å; F112-P141 HydrophobicContact CD1-CG 3.52Å; F112-P141 HydrophobicContact CD2-CG 4.31Å; F112-P141 HydrophobicContact CE1-CG 3.76Å; F112-P141 HydrophobicContact CE2-CG 4.49Å; F112-P141 HydrophobicContact CG-CG 3.84Å; F112-P141 HydrophobicContact CZ-CG 4.24Å; V139-P141 WeakPolarHBondContact O-CD 3.48Å; P141-C146 WeakPolarHBondContact CG-SG 3.38Å | ||
| 142 | Q | 90.2 | Very high | 79.2 | Confident | 115 Ų | 115 | 60.6 Ų | 60.6 | 54% | 0.537 | 42% | 0.418 | S | S | . | . | trans | -73.2 | 139.5 | 167.3 | -63.2 | -60.9 | -38.1 | 0 | 0 | 110.6 | E48 S144 S145 C146 | E48-Q142 PolarHBondContact OE1-N 2.9Å; Q142-S144 PolarHBondContact O-N 3.2Å; Q142-S144 VanDerWaalsContact O-N 3.13Å; Q142-S145 WeakPolarHBondContact O-CA 3.29Å; Q142-S145 WeakPolarHBondContact O-CB 3.15Å; Q142-S145 PolarHBondContact O-N 3.27Å; Q142-C146 PolarHBondContact O-N 3.17Å; Q142-C146 VanDerWaalsContact O-N 3.12Å; Q142-C146 PolarHBondContact O-SG 3.33Å; Q142-C146 VanDerWaalsContact O-SG 3.39Å | ||
| 143 | P | 87.9 | Confident | 81.3 | Confident | 97 Ų | 97 | 53.3 Ų | 53.3 | 63% | 0.63 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -55.9 | -32.5 | 176.7 | -27.5 | 35.3 | 0 | 0 | 0 | 113.8 | C146 S147 | P143-C146 WeakPolarHBondContact O-CB 3.4Å; P143-C146 PolarHBondContact O-N 3.19Å; P143-S147 PolarHBondContact O-N 3.35Å; P143-S147 PolarHBondContact O-OG 3.4Å |
| 144 | S | 89.8 | Confident | 83.8 | Confident | 85 Ų | 85 | 49.8 Ų | 49.8 | 59% | 0.594 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -64.3 | -37.8 | 173.6 | 49.8 | 0 | 0 | 0 | 0 | 113.1 | Q142 Y148 | Q142-S144 PolarHBondContact O-N 3.2Å; Q142-S144 VanDerWaalsContact O-N 3.13Å; S144-Y148 WeakPolarHBondContact O-CB 3.48Å; S144-Y148 PolarHBondContact O-N 3.44Å |
| 145 | S | 93.6 | Very high | 86 | Confident | 15 Ų | 15 | 45.5 Ų | 45.5 | 11% | 0.105 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -69.1 | -39.3 | 177.4 | -58.1 | 0 | 0 | 0 | 0 | 110.5 | E48 Q142 Y148 I149 | E48-S145 VanDerWaalsContact CD-OG 3.31Å; E48-S145 WeakPolarHBondContact OE1-CB 3.4Å; E48-S145 PolarHBondContact OE1-OG 2.74Å; E48-S145 PolarHBondContact OE2-OG 3.45Å; Q142-S145 WeakPolarHBondContact O-CA 3.29Å; Q142-S145 WeakPolarHBondContact O-CB 3.15Å; Q142-S145 PolarHBondContact O-N 3.27Å; S145-Y148 PolarHBondContact O-N 2.94Å; S145-I149 WeakPolarHBondContact O-CG2 3.32Å; S145-I149 PolarHBondContact O-N 2.97Å |
| 146 | C | 92.4 | Very high | 88.6 | Confident | 7 Ų | 7 | 42.2 Ų | 42.2 | 5% | 0.047 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59.6 | -51.8 | 171.8 | -54.9 | 0 | 0 | 0 | 0 | 112.1 | F112 V114 P141 Q142 P143 Y148 I149 C150 | F112-C146 HydrophobicContact CB-CB 4.48Å; V114-C146 HydrophobicContact CG2-CB 3.73Å; P141-C146 WeakPolarHBondContact CG-SG 3.38Å; Q142-C146 PolarHBondContact O-N 3.17Å; Q142-C146 VanDerWaalsContact O-N 3.12Å; Q142-C146 PolarHBondContact O-SG 3.33Å; Q142-C146 VanDerWaalsContact O-SG 3.39Å; P143-C146 WeakPolarHBondContact O-CB 3.4Å; P143-C146 PolarHBondContact O-N 3.19Å; C146-Y148 VanDerWaalsContact C-N 3.27Å; C146-Y148 PolarHBondContact O-N 2.94Å; C146-I149 WeakPolarHBondContact O-CG2 3.4Å; C146-I149 PolarHBondContact O-N 3.01Å; C146-C150 WeakPolarHBondContact O-CB 3.5Å; C146-C150 PolarHBondContact O-N 3Å; C146-C150 PolarHBondContact O-SG 3.19Å; C146-C150 VanDerWaalsContact O-SG 3.38Å |
| 147 | S | 91.1 | Very high | 90.7 | Very high | 32 Ų | 32 | 39.7 Ų | 39.7 | 22% | 0.224 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.8 | -35.8 | 177.5 | -64.9 | 0 | 0 | 0 | 0 | 112.2 | P143 Q151 L180 | P143-S147 PolarHBondContact O-N 3.35Å; P143-S147 PolarHBondContact O-OG 3.4Å; S147-Q151 VanDerWaalsContact O-CB 3.27Å; S147-Q151 WeakPolarHBondContact O-CB 3.47Å; S147-Q151 PolarHBondContact O-N 2.89Å; S147-L180 WeakPolarHBondContact O-CD2 3.29Å |
| 148 | Y | 93.9 | Very high | 92.2 | Very high | 73 Ų | 73 | 34.7 Ų | 34.7 | 29% | 0.286 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -64.1 | -52.3 | 174.7 | 175.1 | -98.7 | 0 | 0 | 0 | 112.6 | L51 E56 S144 S145 C146 C150 Q151 H152 | L51-Y148 HydrophobicContact CD1-CD1 4Å; L51-Y148 HydrophobicContact CD2-CD1 3.81Å; L51-Y148 HydrophobicContact CD2-CE1 3.74Å; E56-Y148 HydrophobicContact CG-CE1 4.12Å; S144-Y148 WeakPolarHBondContact O-CB 3.48Å; S144-Y148 PolarHBondContact O-N 3.44Å; S145-Y148 PolarHBondContact O-N 2.94Å; C146-Y148 VanDerWaalsContact C-N 3.27Å; C146-Y148 PolarHBondContact O-N 2.94Å; Y148-C150 VanDerWaalsContact C-N 3.33Å; Y148-C150 PolarHBondContact O-N 3.36Å; Y148-Q151 WeakPolarHBondContact O-CB 3.26Å; Y148-Q151 PolarHBondContact O-N 3.36Å; Y148-Q151 VanDerWaalsContact O-N 3.14Å; Y148-H152 WeakPolarHBondContact O-CB 3.29Å; Y148-H152 PolarHBondContact O-N 3.43Å |
| 149 | I | 95.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -68 | -34.5 | -177.3 | -168.7 | 61.2 | 0 | 0 | 0 | 112 | L43 L47 L51 E56 L108 S145 C146 H152 C153 | L43-I149 HydrophobicContact CD1-CD1 4.29Å; L43-I149 HydrophobicContact CD2-CD1 3.79Å; L43-I149 HydrophobicContact CD2-CG1 4.2Å; L47-I149 HydrophobicContact CD1-CB 4Å; L47-I149 HydrophobicContact CD1-CG1 4.1Å; L47-I149 HydrophobicContact CD1-CG2 3.9Å; L47-I149 HydrophobicContact CD2-CG2 3.81Å; L51-I149 HydrophobicContact CD2-CD1 4.34Å; E56-I149 HydrophobicContact CB-CD1 3.52Å; E56-I149 HydrophobicContact CG-CD1 4.11Å; L108-I149 HydrophobicContact CD1-CG1 3.73Å; L108-I149 HydrophobicContact CD1-CG2 4.09Å; L108-I149 HydrophobicContact CD2-CG1 4.44Å; L108-I149 HydrophobicContact CD2-CG2 4.19Å; S145-I149 WeakPolarHBondContact O-CG2 3.32Å; S145-I149 PolarHBondContact O-N 2.97Å; C146-I149 WeakPolarHBondContact O-CG2 3.4Å; C146-I149 PolarHBondContact O-N 3.01Å; I149-H152 HydrophobicContact CD1-CB 4.41Å; I149-H152 PolarHBondContact O-N 3.12Å; I149-C153 PolarHBondContact O-N 3.24Å; I149-C153 PolarHBondContact O-SG 2.7Å |
| 150 | C | 94.8 | Very high | 94 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65.7 | -39.8 | 171.2 | -71.4 | 0 | 0 | 0 | 0 | 111.9 | L105 L116 C146 Y148 C153 L154 L180 | L105-C150 HydrophobicContact CD1-CB 3.89Å; L116-C150 HydrophobicContact CD1-CB 4.11Å; C146-C150 WeakPolarHBondContact O-CB 3.5Å; C146-C150 PolarHBondContact O-N 3Å; C146-C150 PolarHBondContact O-SG 3.19Å; C146-C150 VanDerWaalsContact O-SG 3.38Å; Y148-C150 VanDerWaalsContact C-N 3.33Å; Y148-C150 PolarHBondContact O-N 3.36Å; C150-C153 PolarHBondContact O-N 2.86Å; C150-L154 WeakPolarHBondContact O-CG 3.43Å; C150-L154 PolarHBondContact O-N 3.29Å; C150-L180 HydrophobicContact CB-CD2 3.51Å |
| 151 | Q | 95.4 | Very high | 94.7 | Very high | 1 Ų | 1 | 22.5 Ų | 22.5 | 1% | 0.005 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -62.5 | -46 | 172.9 | 179.8 | -177.3 | 66 | 0 | 0 | 111 | S147 Y148 C153 L154 V155 A177 L180 V181 N184 P187 | S147-Q151 VanDerWaalsContact O-CB 3.27Å; S147-Q151 WeakPolarHBondContact O-CB 3.47Å; S147-Q151 PolarHBondContact O-N 2.89Å; Y148-Q151 WeakPolarHBondContact O-CB 3.26Å; Y148-Q151 PolarHBondContact O-N 3.36Å; Y148-Q151 VanDerWaalsContact O-N 3.14Å; Q151-C153 VanDerWaalsContact C-N 3.33Å; Q151-C153 PolarHBondContact O-N 3.37Å; Q151-L154 PolarHBondContact O-N 3.33Å; Q151-L154 VanDerWaalsContact O-N 3.15Å; Q151-V155 HydrophobicContact CG-CG2 4.36Å; Q151-V155 WeakPolarHBondContact O-CG2 3.23Å; Q151-V155 PolarHBondContact O-N 3.27Å; Q151-A177 HydrophobicContact CG-CB 3.97Å; Q151-A177 WeakPolarHBondContact CG-O 3.28Å; Q151-A177 PolarHBondContact NE2-O 3.07Å; Q151-L180 HydrophobicContact CB-CD2 4.4Å; Q151-V181 HydrophobicContact CB-CG2 4.34Å; Q151-V181 PolarHBondContact NE2-O 3.04Å; Q151-N184 PolarHBondContact OE1-ND2 3.45Å; Q151-P187 HydrophobicContact CG-CG 4.39Å |
| 152 | H | 96.3 | Very high | 95.1 | Very high | 9 Ų | 9 | 23.7 Ų | 23.7 | 4% | 0.042 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -56.5 | -45.7 | 176.9 | 172.9 | 93.5 | 0 | 0 | 0 | 111.6 | E56 Y148 I149 L154 V155 H156 | E56-H152 PolarHBondContact O-CE1 3.06Å; E56-H152 PolarHBondContact O-NE2 3.41Å; Y148-H152 WeakPolarHBondContact O-CB 3.29Å; Y148-H152 PolarHBondContact O-N 3.43Å; I149-H152 HydrophobicContact CD1-CB 4.41Å; I149-H152 PolarHBondContact O-N 3.12Å; H152-L154 PolarHBondContact O-N 2.99Å; H152-V155 PolarHBondContact O-N 3Å; H152-H156 AromaticContact CD2-CD2 3.87Å; H152-H156 AromaticContact CE1-CD2 3.37Å; H152-H156 PolarHBondContact CE1-CD2 3.04Å; H152-H156 AromaticContact CE1-NE2 3.16Å; H152-H156 PolarHBondContact CE1-NE2 2.98Å; H152-H156 AromaticContact ND1-CD2 3.85Å; H152-H156 AromaticContact ND1-NE2 3.58Å; H152-H156 AromaticContact NE2-CD2 3.36Å; H152-H156 PolarHBondContact NE2-CD2 3.11Å; H152-H156 AromaticContact NE2-NE2 3.69Å; H152-H156 PolarHBondContact O-CD2 3.37Å; H152-H156 PolarHBondContact O-N 3.22Å; H152-H156 VanDerWaalsContact O-N 3.09Å |
| 153 | C | 97.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -62.4 | -42.4 | 174.9 | -64.6 | 0 | 0 | 0 | 0 | 112.3 | Y101 L105 I149 C150 Q151 H156 L157 | Y101-C153 HydrophobicContact CD1-CB 4.16Å; L105-C153 HydrophobicContact CB-CB 4.18Å; L105-C153 HydrophobicContact CD1-CB 4.21Å; I149-C153 PolarHBondContact O-N 3.24Å; I149-C153 PolarHBondContact O-SG 2.7Å; C150-C153 PolarHBondContact O-N 2.86Å; Q151-C153 VanDerWaalsContact C-N 3.33Å; Q151-C153 PolarHBondContact O-N 3.37Å; C153-H156 PolarHBondContact O-N 2.72Å; C153-L157 WeakPolarHBondContact O-CB 3.32Å; C153-L157 VanDerWaalsContact O-CG 3.31Å; C153-L157 WeakPolarHBondContact O-CG 3.3Å; C153-L157 PolarHBondContact O-N 3.14Å |
| 154 | L | 96.4 | Very high | 95.7 | Very high | 1 Ų | 1 | 19.7 Ų | 19.7 | 1% | 0.005 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -64.9 | -39.8 | 176.4 | -72.9 | 166.2 | 0 | 0 | 0 | 112.4 | L105 L116 C150 Q151 H152 L157 G158 Y173 H176 A177 L180 | L105-L154 HydrophobicContact CD2-CD2 3.79Å; L105-L154 HydrophobicContact CD2-CG 4.08Å; L116-L154 HydrophobicContact CD2-CD1 4.02Å; C150-L154 WeakPolarHBondContact O-CG 3.43Å; C150-L154 PolarHBondContact O-N 3.29Å; Q151-L154 PolarHBondContact O-N 3.33Å; Q151-L154 VanDerWaalsContact O-N 3.15Å; H152-L154 PolarHBondContact O-N 2.99Å; L154-L157 PolarHBondContact O-N 3.33Å; L154-G158 PolarHBondContact O-N 3.36Å; L154-Y173 HydrophobicContact CD2-CD1 3.93Å; L154-H176 HydrophobicContact CD1-CB 4.23Å; L154-A177 HydrophobicContact CB-CB 3.84Å; L154-L180 HydrophobicContact CD1-CD2 4.36Å |
| 155 | V | 97.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -61 | -46.2 | 174.8 | 173.4 | 0 | 0 | 0 | 0 | 110.6 | Q151 H152 G158 D159 Y174 A177 Q186 P187 Q190 | Q151-V155 HydrophobicContact CG-CG2 4.36Å; Q151-V155 WeakPolarHBondContact O-CG2 3.23Å; Q151-V155 PolarHBondContact O-N 3.27Å; H152-V155 PolarHBondContact O-N 3Å; V155-G158 CarbonylContact O-C 3.48Å; V155-G158 VanDerWaalsContact O-CA 3.31Å; V155-G158 WeakPolarHBondContact O-CA 3.27Å; V155-G158 PolarHBondContact O-N 2.95Å; V155-D159 PolarHBondContact O-N 3.32Å; V155-Y174 HydrophobicContact CG1-CE1 4.21Å; V155-Y174 VanDerWaalsContact O-CE1 3.31Å; V155-Y174 WeakPolarHBondContact O-CE1 3.33Å; V155-A177 HydrophobicContact CG2-CB 3.78Å; V155-Q186 HydrophobicContact CG1-CG 4.26Å; V155-P187 HydrophobicContact CG2-CB 4.45Å; V155-P187 HydrophobicContact CG2-CG 3.96Å; V155-Q190 HydrophobicContact CG1-CG 4.44Å |
| 156 | H | 98.1 | Very high | 96 | Very high | 8 Ų | 8 | 25.1 Ų | 25.1 | 4% | 0.037 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -75.5 | -27.8 | -178.5 | -65.2 | -34.7 | 0 | 0 | 0 | 113.8 | W60 Y101 H152 C153 G158 D159 I160 | W60-H156 AromaticContact CD1-CE1 3.42Å; W60-H156 VanDerWaalsContact CD1-CE1 3.42Å; W60-H156 AromaticContact CD1-NE2 3.51Å; W60-H156 HydrophobicContact CD2-CB 4.32Å; W60-H156 AromaticContact CD2-CD2 3.8Å; W60-H156 AromaticContact CD2-CE1 3.8Å; W60-H156 AromaticContact CD2-CG 3.66Å; W60-H156 AromaticContact CD2-ND1 3.67Å; W60-H156 AromaticContact CD2-NE2 3.9Å; W60-H156 AromaticContact CE2-CE1 3.64Å; W60-H156 AromaticContact CE2-CG 3.95Å; W60-H156 AromaticContact CE2-ND1 3.47Å; W60-H156 HydrophobicContact CE3-CB 3.94Å; W60-H156 AromaticContact CE3-CG 3.8Å; W60-H156 AromaticContact CG-CD2 3.69Å; W60-H156 AromaticContact CG-CE1 3.67Å; W60-H156 AromaticContact CG-NE2 3.45Å; W60-H156 HydrophobicContact CH2-CB 4.38Å; W60-H156 AromaticContact CZ2-ND1 3.81Å; W60-H156 HydrophobicContact CZ3-CB 3.98Å; W60-H156 AromaticContact NE1-CE1 3.37Å; W60-H156 PolarHBondContact NE1-CE1 3.03Å; W60-H156 AromaticContact NE1-ND1 3.69Å; W60-H156 AromaticContact NE1-NE2 3.94Å; Y101-H156 HydrophobicContact CD1-CB 4.44Å; Y101-H156 HydrophobicContact CE1-CB 4.14Å; Y101-H156 HydrophobicContact CE2-CB 4.32Å; H152-H156 AromaticContact CD2-CD2 3.87Å; H152-H156 AromaticContact CE1-CD2 3.37Å; H152-H156 PolarHBondContact CE1-CD2 3.04Å; H152-H156 AromaticContact CE1-NE2 3.16Å; H152-H156 PolarHBondContact CE1-NE2 2.98Å; H152-H156 AromaticContact ND1-CD2 3.85Å; H152-H156 AromaticContact ND1-NE2 3.58Å; H152-H156 AromaticContact NE2-CD2 3.36Å; H152-H156 PolarHBondContact NE2-CD2 3.11Å; H152-H156 AromaticContact NE2-NE2 3.69Å; H152-H156 PolarHBondContact O-CD2 3.37Å; H152-H156 PolarHBondContact O-N 3.22Å; H152-H156 VanDerWaalsContact O-N 3.09Å; C153-H156 PolarHBondContact O-N 2.72Å; H156-G158 VanDerWaalsContact C-N 3.27Å; H156-G158 PolarHBondContact O-N 3.49Å; H156-D159 IonicContact CE1-OD2 3.41Å; H156-D159 IonicContact CG-OD2 3.26Å; H156-D159 IonicContact ND1-OD2 2.8Å; H156-D159 PolarHBondContact ND1-OD2 3.47Å; H156-D159 PolarHBondContact O-N 3.23Å; H156-I160 WeakPolarHBondContact O-CB 3.45Å; H156-I160 WeakPolarHBondContact O-CD1 3.47Å; H156-I160 WeakPolarHBondContact O-CG1 3.35Å; H156-I160 PolarHBondContact O-N 2.78Å |
| 157 | L | 98.3 | Very high | 96.1 | Very high | 2 Ų | 2 | 27.1 Ų | 27.1 | 1% | 0.01 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -60.7 | -38.1 | 163 | -74.3 | 168.2 | 0 | 0 | 0 | 111.6 | L105 C153 L154 A161 Y173 | L105-L157 HydrophobicContact CD2-CD1 4.03Å; C153-L157 WeakPolarHBondContact O-CB 3.32Å; C153-L157 VanDerWaalsContact O-CG 3.31Å; C153-L157 WeakPolarHBondContact O-CG 3.3Å; C153-L157 PolarHBondContact O-N 3.14Å; L154-L157 PolarHBondContact O-N 3.33Å; L157-A161 VanDerWaalsContact O-CB 3.25Å; L157-A161 WeakPolarHBondContact O-CB 3.49Å; L157-A161 PolarHBondContact O-N 2.71Å; L157-Y173 HydrophobicContact CB-CD1 4Å; L157-Y173 HydrophobicContact CB-CD2 3.83Å; L157-Y173 HydrophobicContact CB-CE1 4.03Å; L157-Y173 HydrophobicContact CB-CE2 3.83Å; L157-Y173 HydrophobicContact CB-CG 3.92Å; L157-Y173 HydrophobicContact CD1-CD1 4.43Å; L157-Y173 HydrophobicContact CD1-CE1 4Å; L157-Y173 WeakPolarHBondContact O-CD2 3.38Å |
| 158 | G | 97.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -64.2 | -43.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | L154 V155 H156 A161 R162 A170 Y174 | L154-G158 PolarHBondContact O-N 3.36Å; V155-G158 CarbonylContact O-C 3.48Å; V155-G158 VanDerWaalsContact O-CA 3.31Å; V155-G158 WeakPolarHBondContact O-CA 3.27Å; V155-G158 PolarHBondContact O-N 2.95Å; H156-G158 VanDerWaalsContact C-N 3.27Å; H156-G158 PolarHBondContact O-N 3.49Å; G158-A161 PolarHBondContact O-N 3.37Å; G158-R162 WeakPolarHBondContact O-CB 3.41Å; G158-R162 PolarHBondContact O-N 2.89Å; G158-A170 VanDerWaalsContact O-CB 3.32Å; G158-A170 WeakPolarHBondContact O-CB 3.48Å; G158-Y174 PolarHBondContact O-OH 3.31Å |
| 159 | D | 97.6 | Very high | 96.2 | Very high | 6 Ų | 6 | 30.7 Ų | 30.7 | 3% | 0.032 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.1 | -47.5 | 177 | -71.1 | -50.7 | 0 | 0 | 0 | 110.5 | W60 V155 H156 R162 Y163 Y174 Q190 | W60-D159 HydrophobicContact CH2-CB 4.02Å; W60-D159 HydrophobicContact CZ2-CB 4.03Å; V155-D159 PolarHBondContact O-N 3.32Å; H156-D159 IonicContact CE1-OD2 3.41Å; H156-D159 IonicContact CG-OD2 3.26Å; H156-D159 IonicContact ND1-OD2 2.8Å; H156-D159 PolarHBondContact ND1-OD2 3.47Å; H156-D159 PolarHBondContact O-N 3.23Å; D159-R162 PolarHBondContact O-N 3.42Å; D159-R162 IonicContact OD1-CZ 3.64Å; D159-R162 IonicContact OD1-NH1 2.63Å; D159-R162 PolarHBondContact OD1-NH1 3.47Å; D159-R162 IonicContact OD1-NH2 2.74Å; D159-R162 PolarHBondContact OD1-NH2 2.96Å; D159-Y163 HydrophobicContact CB-CE2 3.95Å; D159-Y163 WeakPolarHBondContact O-CD2 3.35Å; D159-Y163 PolarHBondContact O-N 2.94Å; D159-Y174 VanDerWaalsContact CA-OH 3.27Å; D159-Y174 WeakPolarHBondContact CA-OH 3.18Å; D159-Y174 PolarHBondContact N-OH 3.21Å; D159-Y174 VanDerWaalsContact N-OH 3.09Å; D159-Y174 PolarHBondContact OD1-OH 3.25Å; D159-Q190 PolarHBondContact OD1-NE2 3.27Å |
| 160 | I | 98.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.9 | -44.7 | 177.4 | -67.5 | 160.7 | 0 | 0 | 0 | 111.1 | W60 L94 A97 Y101 H156 R162 Y163 R164 | W60-I160 HydrophobicContact CH2-CG1 4.19Å; W60-I160 HydrophobicContact CZ3-CD1 4.18Å; W60-I160 HydrophobicContact CZ3-CG1 4.13Å; L94-I160 HydrophobicContact CB-CG2 4.36Å; L94-I160 HydrophobicContact CD2-CG2 4.26Å; L94-I160 VanDerWaalsContact O-CG2 3.25Å; L94-I160 WeakPolarHBondContact O-CG2 3.49Å; A97-I160 HydrophobicContact CB-CD1 3.72Å; A97-I160 HydrophobicContact CB-CG1 4.28Å; Y101-I160 HydrophobicContact CD2-CD1 3.83Å; Y101-I160 HydrophobicContact CE2-CD1 4.43Å; H156-I160 WeakPolarHBondContact O-CB 3.45Å; H156-I160 WeakPolarHBondContact O-CD1 3.47Å; H156-I160 WeakPolarHBondContact O-CG1 3.35Å; H156-I160 PolarHBondContact O-N 2.78Å; I160-R162 VanDerWaalsContact C-N 3.35Å; I160-R162 PolarHBondContact O-N 3.03Å; I160-Y163 PolarHBondContact O-N 2.54Å; I160-R164 WeakPolarHBondContact O-CG 3.22Å; I160-R164 PolarHBondContact O-N 3.41Å |
| 161 | A | 97.6 | Very high | 96.2 | Very high | 3 Ų | 3 | 32 Ų | 32 | 3% | 0.025 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.4 | -41.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L157 G158 R164 N165 Q166 Q169 A170 Y173 | L157-A161 VanDerWaalsContact O-CB 3.25Å; L157-A161 WeakPolarHBondContact O-CB 3.49Å; L157-A161 PolarHBondContact O-N 2.71Å; G158-A161 PolarHBondContact O-N 3.37Å; A161-R164 CarbonylContact O-C 3.33Å; A161-R164 PolarHBondContact O-N 3.44Å; A161-N165 PolarHBondContact O-N 3.01Å; A161-Q166 HydrophobicContact CB-CB 4.33Å; A161-Q166 WeakPolarHBondContact O-CB 3.46Å; A161-Q166 PolarHBondContact O-N 3.31Å; A161-Q169 HydrophobicContact CB-CB 4.28Å; A161-Q169 HydrophobicContact CB-CG 4.16Å; A161-A170 HydrophobicContact CB-CB 3.81Å; A161-Y173 HydrophobicContact CB-CD2 4.18Å; A161-Y173 HydrophobicContact CB-CE2 4.35Å |
| 162 | R | 96.9 | Very high | 96.1 | Very high | 43 Ų | 43 | 33.5 Ų | 33.5 | 16% | 0.162 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.4 | -44.3 | 173.7 | -176.2 | -173.9 | 61.3 | -131 | -20.8 | 111.2 | G158 D159 I160 R164 N165 A170 Y174 L194 | G158-R162 WeakPolarHBondContact O-CB 3.41Å; G158-R162 PolarHBondContact O-N 2.89Å; D159-R162 PolarHBondContact O-N 3.42Å; D159-R162 IonicContact OD1-CZ 3.64Å; D159-R162 IonicContact OD1-NH1 2.63Å; D159-R162 PolarHBondContact OD1-NH1 3.47Å; D159-R162 IonicContact OD1-NH2 2.74Å; D159-R162 PolarHBondContact OD1-NH2 2.96Å; I160-R162 VanDerWaalsContact C-N 3.35Å; I160-R162 PolarHBondContact O-N 3.03Å; R162-R164 PolarHBondContact O-N 3.33Å; R162-N165 WeakPolarHBondContact O-CA 3.48Å; R162-N165 PolarHBondContact O-N 2.82Å; R162-A170 HydrophobicContact CB-CB 4.1Å; R162-Y174 PolarHBondContact NH1-OH 2.96Å; R162-Y174 VanDerWaalsContact NH1-OH 3.12Å; R162-L194 HydrophobicContact CB-CD2 4.39Å; R162-L194 HydrophobicContact CG-CD2 3.88Å |
| 163 | Y | 96.2 | Very high | 96.1 | Very high | 58 Ų | 58 | 35.3 Ų | 35.3 | 23% | 0.227 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -66.1 | -22.1 | 176.8 | -59.1 | -38.6 | 0 | 0 | 0 | 113.5 | W60 I68 L94 D159 I160 N165 | W60-Y163 HydrophobicContact CH2-CE2 4.19Å; W60-Y163 HydrophobicContact CZ2-CE2 4.27Å; I68-Y163 HydrophobicContact CG2-CD2 3.84Å; I68-Y163 HydrophobicContact CG2-CE2 4.05Å; I68-Y163 HydrophobicContact CG2-CG 4.32Å; L94-Y163 HydrophobicContact CD2-CD2 4.11Å; L94-Y163 HydrophobicContact CD2-CG 4.43Å; D159-Y163 HydrophobicContact CB-CE2 3.95Å; D159-Y163 WeakPolarHBondContact O-CD2 3.35Å; D159-Y163 PolarHBondContact O-N 2.94Å; I160-Y163 PolarHBondContact O-N 2.54Å; Y163-N165 VanDerWaalsContact C-N 3.31Å |
| 164 | R | 95.4 | Very high | 96.1 | Very high | 70 Ų | 70 | 35.3 Ų | 35.3 | 26% | 0.264 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | 4.9 | 168.9 | -65.8 | 171.5 | 76.2 | -155.7 | 5.8 | 113.4 | L94 E95 I160 A161 R162 Q166 | L94-R164 HydrophobicContact CB-CG 3.79Å; L94-R164 HydrophobicContact CD1-CG 3.98Å; L94-R164 HydrophobicContact CG-CG 4.45Å; E95-R164 IonicContact OE1-CZ 2.68Å; E95-R164 IonicContact OE1-NE 3.87Å; E95-R164 IonicContact OE1-NH2 3.77Å; E95-R164 PolarHBondContact OE1-NH2 2.99Å; I160-R164 WeakPolarHBondContact O-CG 3.22Å; I160-R164 PolarHBondContact O-N 3.41Å; A161-R164 CarbonylContact O-C 3.33Å; A161-R164 PolarHBondContact O-N 3.44Å; R162-R164 PolarHBondContact O-N 3.33Å; R164-Q166 HydrophobicContact CB-CG 3.98Å; R164-Q166 PolarHBondContact O-N 2.96Å |
| 165 | N | 93.8 | Very high | 95.9 | Very high | 142 Ų | 142 | 40 Ų | 40 | 76% | 0.759 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.7 | 25.3 | -172.9 | -57.7 | -76.9 | 0 | 0 | 0 | 114.6 | A161 R162 Y163 T167 | A161-N165 PolarHBondContact O-N 3.01Å; R162-N165 WeakPolarHBondContact O-CA 3.48Å; R162-N165 PolarHBondContact O-N 2.82Å; Y163-N165 VanDerWaalsContact C-N 3.31Å; N165-T167 VanDerWaalsContact C-N 3.32Å; N165-T167 PolarHBondContact O-N 3.36Å |
| 166 | Q | 95.1 | Very high | 95.6 | Very high | 73 Ų | 73 | 42.1 Ų | 42.1 | 34% | 0.341 | 21% | 0.207 | S | C | . | . | trans | -90.9 | 62.1 | 179.4 | -62.4 | 175.7 | -19.6 | 0 | 0 | 110.4 | A161 R164 S168 Q169 A170 | A161-Q166 HydrophobicContact CB-CB 4.33Å; A161-Q166 WeakPolarHBondContact O-CB 3.46Å; A161-Q166 PolarHBondContact O-N 3.31Å; R164-Q166 HydrophobicContact CB-CG 3.98Å; R164-Q166 PolarHBondContact O-N 2.96Å; Q166-S168 PolarHBondContact O-N 3.06Å; Q166-Q169 HydrophobicContact CB-CB 3.99Å; Q166-Q169 WeakPolarHBondContact O-CB 3.23Å; Q166-Q169 PolarHBondContact O-N 3.18Å; Q166-A170 PolarHBondContact O-N 3.45Å | ||
| 167 | T | 94.4 | Very high | 95.4 | Very high | 48 Ų | 48 | 41.7 Ų | 41.7 | 29% | 0.294 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -49.1 | -51.2 | -169 | -55.8 | 0 | 0 | 0 | 0 | 113.9 | N165 Q169 A170 E171 L194 | N165-T167 VanDerWaalsContact C-N 3.32Å; N165-T167 PolarHBondContact O-N 3.36Å; T167-Q169 VanDerWaalsContact C-N 3.31Å; T167-Q169 PolarHBondContact O-N 3.17Å; T167-A170 WeakPolarHBondContact O-CB 3.43Å; T167-A170 PolarHBondContact O-N 3.45Å; T167-E171 WeakPolarHBondContact O-CB 3.24Å; T167-E171 PolarHBondContact O-N 3.31Å; T167-L194 HydrophobicContact CG2-CD2 4.42Å |
| 168 | S | 92.8 | Very high | 95.2 | Very high | 96 Ų | 96 | 42 Ų | 42 | 67% | 0.671 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -64.9 | -33.2 | -179.1 | -42.6 | 0 | 0 | 0 | 0 | 113 | Q166 S172 | Q166-S168 PolarHBondContact O-N 3.06Å; S168-S172 WeakPolarHBondContact O-CB 3.35Å; S168-S172 PolarHBondContact O-N 3.13Å; S168-S172 VanDerWaalsContact O-N 3.07Å |
| 169 | Q | 94.4 | Very high | 94.7 | Very high | 84 Ų | 84 | 44.8 Ų | 44.8 | 39% | 0.393 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -71.5 | -41.7 | 176.5 | -173.8 | 63.6 | 55.5 | 0 | 0 | 111 | A161 Q166 T167 S172 Y173 | A161-Q169 HydrophobicContact CB-CB 4.28Å; A161-Q169 HydrophobicContact CB-CG 4.16Å; Q166-Q169 HydrophobicContact CB-CB 3.99Å; Q166-Q169 WeakPolarHBondContact O-CB 3.23Å; Q166-Q169 PolarHBondContact O-N 3.18Å; T167-Q169 VanDerWaalsContact C-N 3.31Å; T167-Q169 PolarHBondContact O-N 3.17Å; Q169-S172 PolarHBondContact O-N 3.45Å; Q169-Y173 HydrophobicContact CG-CD2 4.07Å; Q169-Y173 HydrophobicContact CG-CE2 3.65Å; Q169-Y173 WeakPolarHBondContact O-CD2 3.45Å; Q169-Y173 PolarHBondContact O-N 3.1Å |
| 170 | A | 97.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.3 | -45.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | G158 A161 R162 Q166 T167 S172 Y173 Y174 L194 | G158-A170 VanDerWaalsContact O-CB 3.32Å; G158-A170 WeakPolarHBondContact O-CB 3.48Å; A161-A170 HydrophobicContact CB-CB 3.81Å; R162-A170 HydrophobicContact CB-CB 4.1Å; Q166-A170 PolarHBondContact O-N 3.45Å; T167-A170 WeakPolarHBondContact O-CB 3.43Å; T167-A170 PolarHBondContact O-N 3.45Å; A170-S172 VanDerWaalsContact C-N 3.35Å; A170-S172 PolarHBondContact O-N 3.24Å; A170-Y173 PolarHBondContact O-N 3.47Å; A170-Y174 HydrophobicContact CB-CE2 4.01Å; A170-Y174 WeakPolarHBondContact O-CD2 3.44Å; A170-Y174 PolarHBondContact O-N 3.23Å; A170-L194 HydrophobicContact CB-CD1 3.96Å |
| 171 | E | 94.7 | Very high | 93.9 | Very high | 29 Ų | 29 | 47.5 Ų | 47.5 | 14% | 0.136 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.8 | -41.2 | 178.2 | -157.6 | -176.7 | 136.1 | 0 | 0 | 112.4 | T167 Y174 R175 L191 L194 K198 | T167-E171 WeakPolarHBondContact O-CB 3.24Å; T167-E171 PolarHBondContact O-N 3.31Å; E171-Y174 PolarHBondContact O-N 2.83Å; E171-R175 WeakPolarHBondContact O-CG 3.36Å; E171-R175 PolarHBondContact O-N 3.07Å; E171-R175 IonicContact OE1-CZ 2.64Å; E171-R175 IonicContact OE1-NH1 3.6Å; E171-R175 PolarHBondContact OE1-NH1 3.05Å; E171-R175 IonicContact OE1-NH2 3.71Å; E171-R175 PolarHBondContact OE1-NH2 3.48Å; E171-L191 HydrophobicContact CG-CD2 3.84Å; E171-L194 HydrophobicContact CB-CD1 3.75Å; E171-L194 HydrophobicContact CG-CD1 4.18Å; E171-K198 IonicContact OE1-NZ 3.87Å; E171-K198 IonicContact OE2-NZ 2.66Å; E171-K198 PolarHBondContact OE2-NZ 3.2Å |
| 172 | S | 93 | Very high | 93.7 | Very high | 32 Ų | 32 | 48.2 Ų | 48.2 | 22% | 0.224 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.3 | -48.8 | 173 | -177.5 | 0 | 0 | 0 | 0 | 112.1 | S168 Q169 A170 Y174 R175 H176 | S168-S172 WeakPolarHBondContact O-CB 3.35Å; S168-S172 PolarHBondContact O-N 3.13Å; S168-S172 VanDerWaalsContact O-N 3.07Å; Q169-S172 PolarHBondContact O-N 3.45Å; A170-S172 VanDerWaalsContact C-N 3.35Å; A170-S172 PolarHBondContact O-N 3.24Å; S172-Y174 PolarHBondContact O-N 3.4Å; S172-R175 PolarHBondContact O-N 3.06Å; S172-H176 PolarHBondContact O-CD2 3.27Å; S172-H176 PolarHBondContact O-N 2.98Å |
| 173 | Y | 95.7 | Very high | 93.6 | Very high | 47 Ų | 47 | 47.7 Ų | 47.7 | 18% | 0.184 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59.8 | -43.8 | 176.9 | -75.6 | -49.2 | 0 | 0 | 0 | 112.7 | L154 L157 A161 Q169 A170 H176 A177 | L154-Y173 HydrophobicContact CD2-CD1 3.93Å; L157-Y173 HydrophobicContact CB-CD1 4Å; L157-Y173 HydrophobicContact CB-CD2 3.83Å; L157-Y173 HydrophobicContact CB-CE1 4.03Å; L157-Y173 HydrophobicContact CB-CE2 3.83Å; L157-Y173 HydrophobicContact CB-CG 3.92Å; L157-Y173 HydrophobicContact CD1-CD1 4.43Å; L157-Y173 HydrophobicContact CD1-CE1 4Å; L157-Y173 WeakPolarHBondContact O-CD2 3.38Å; A161-Y173 HydrophobicContact CB-CD2 4.18Å; A161-Y173 HydrophobicContact CB-CE2 4.35Å; Q169-Y173 HydrophobicContact CG-CD2 4.07Å; Q169-Y173 HydrophobicContact CG-CE2 3.65Å; Q169-Y173 WeakPolarHBondContact O-CD2 3.45Å; Q169-Y173 PolarHBondContact O-N 3.1Å; A170-Y173 PolarHBondContact O-N 3.47Å; Y173-H176 PolarHBondContact O-N 2.94Å; Y173-A177 WeakPolarHBondContact O-CB 3.32Å; Y173-A177 PolarHBondContact O-N 3.41Å |
| 174 | Y | 97.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -68.8 | -33.5 | 177.2 | -59.2 | -51.1 | 0 | 0 | 0 | 113.3 | V155 G158 D159 R162 A170 E171 S172 A177 A178 Q190 L191 L194 | V155-Y174 HydrophobicContact CG1-CE1 4.21Å; V155-Y174 VanDerWaalsContact O-CE1 3.31Å; V155-Y174 WeakPolarHBondContact O-CE1 3.33Å; G158-Y174 PolarHBondContact O-OH 3.31Å; D159-Y174 VanDerWaalsContact CA-OH 3.27Å; D159-Y174 WeakPolarHBondContact CA-OH 3.18Å; D159-Y174 PolarHBondContact N-OH 3.21Å; D159-Y174 VanDerWaalsContact N-OH 3.09Å; D159-Y174 PolarHBondContact OD1-OH 3.25Å; R162-Y174 PolarHBondContact NH1-OH 2.96Å; R162-Y174 VanDerWaalsContact NH1-OH 3.12Å; A170-Y174 HydrophobicContact CB-CE2 4.01Å; A170-Y174 WeakPolarHBondContact O-CD2 3.44Å; A170-Y174 PolarHBondContact O-N 3.23Å; E171-Y174 PolarHBondContact O-N 2.83Å; S172-Y174 PolarHBondContact O-N 3.4Å; Y174-A177 PolarHBondContact O-N 3.26Å; Y174-A178 WeakPolarHBondContact O-CB 3.28Å; Y174-A178 PolarHBondContact O-N 2.88Å; Y174-Q190 HydrophobicContact CD1-CB 3.69Å; Y174-Q190 HydrophobicContact CD1-CG 4.1Å; Y174-Q190 HydrophobicContact CD2-CB 3.87Å; Y174-Q190 HydrophobicContact CE1-CB 3.38Å; Y174-Q190 HydrophobicContact CE1-CG 3.58Å; Y174-Q190 HydrophobicContact CE2-CB 3.6Å; Y174-Q190 HydrophobicContact CG-CB 3.93Å; Y174-L191 HydrophobicContact CD2-CD2 4.41Å; Y174-L191 HydrophobicContact CG-CG 4.5Å; Y174-L194 HydrophobicContact CD2-CD1 3.7Å; Y174-L194 HydrophobicContact CD2-CG 4.36Å; Y174-L194 HydrophobicContact CE2-CD1 3.74Å; Y174-L194 HydrophobicContact CE2-CG 4.08Å |
| 175 | R | 92.8 | Very high | 93.7 | Very high | 99 Ų | 99 | 42.8 Ų | 42.8 | 37% | 0.374 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -63.7 | -46.3 | 172.2 | -79.1 | -169.4 | -179.1 | 99.5 | 7.9 | 111.7 | E171 S172 A177 A178 Q179 L191 | E171-R175 WeakPolarHBondContact O-CG 3.36Å; E171-R175 PolarHBondContact O-N 3.07Å; E171-R175 IonicContact OE1-CZ 2.64Å; E171-R175 IonicContact OE1-NH1 3.6Å; E171-R175 PolarHBondContact OE1-NH1 3.05Å; E171-R175 IonicContact OE1-NH2 3.71Å; E171-R175 PolarHBondContact OE1-NH2 3.48Å; S172-R175 PolarHBondContact O-N 3.06Å; R175-A177 VanDerWaalsContact C-N 3.33Å; R175-A177 PolarHBondContact O-N 3.32Å; R175-A178 PolarHBondContact O-N 3.39Å; R175-Q179 VanDerWaalsContact O-CG 3.32Å; R175-Q179 WeakPolarHBondContact O-CG 3.26Å; R175-Q179 PolarHBondContact O-N 3.44Å; R175-L191 HydrophobicContact CG-CD2 4.44Å |
| 176 | H | 90.1 | Very high | 93.8 | Very high | 44 Ų | 44 | 37.8 Ų | 37.8 | 20% | 0.204 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.3 | -36.5 | 175.7 | -71.3 | -45.9 | 0 | 0 | 0 | 112.5 | L154 S172 Y173 Q179 L180 | L154-H176 HydrophobicContact CD1-CB 4.23Å; S172-H176 PolarHBondContact O-CD2 3.27Å; S172-H176 PolarHBondContact O-N 2.98Å; Y173-H176 PolarHBondContact O-N 2.94Å; H176-Q179 PolarHBondContact ND1-OE1 2.9Å; H176-Q179 PolarHBondContact O-N 3.36Å; H176-L180 PolarHBondContact O-N 3.24Å; H176-L180 VanDerWaalsContact O-N 3.17Å |
| 177 | A | 94 | Very high | 93.9 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60 | -47.8 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q151 L154 V155 Y173 Y174 R175 Q179 L180 V181 P187 | Q151-A177 HydrophobicContact CG-CB 3.97Å; Q151-A177 WeakPolarHBondContact CG-O 3.28Å; Q151-A177 PolarHBondContact NE2-O 3.07Å; L154-A177 HydrophobicContact CB-CB 3.84Å; V155-A177 HydrophobicContact CG2-CB 3.78Å; Y173-A177 WeakPolarHBondContact O-CB 3.32Å; Y173-A177 PolarHBondContact O-N 3.41Å; Y174-A177 PolarHBondContact O-N 3.26Å; R175-A177 VanDerWaalsContact C-N 3.33Å; R175-A177 PolarHBondContact O-N 3.32Å; A177-Q179 PolarHBondContact O-N 2.86Å; A177-L180 PolarHBondContact O-N 2.88Å; A177-V181 PolarHBondContact O-N 2.89Å; A177-P187 HydrophobicContact CB-CB 4.05Å; A177-P187 HydrophobicContact CB-CG 3.95Å |
| 178 | A | 93.7 | Very high | 94.1 | Very high | 9 Ų | 9 | 32.7 Ų | 32.7 | 7% | 0.074 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.8 | -43.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y174 R175 L180 V181 P182 P187 Y188 | Y174-A178 WeakPolarHBondContact O-CB 3.28Å; Y174-A178 PolarHBondContact O-N 2.88Å; R175-A178 PolarHBondContact O-N 3.39Å; A178-L180 VanDerWaalsContact C-N 3.32Å; A178-L180 PolarHBondContact O-N 3.37Å; A178-V181 CarbonylContact O-C 3.48Å; A178-P182 WeakPolarHBondContact O-CA 3.46Å; A178-P182 WeakPolarHBondContact O-CD 3.32Å; A178-P182 VanDerWaalsContact O-CG 3.28Å; A178-P182 WeakPolarHBondContact O-CG 3.46Å; A178-P182 VanDerWaalsContact O-N 3.11Å; A178-P187 HydrophobicContact CB-CB 4.03Å; A178-Y188 HydrophobicContact CB-CD1 4.43Å; A178-Y188 HydrophobicContact CB-CE1 3.84Å |
| 179 | Q | 88.4 | Confident | 94.4 | Very high | 57 Ų | 57 | 28.2 Ų | 28.2 | 27% | 0.266 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -60.5 | -37.2 | 176.5 | -72.8 | 164.3 | -7.2 | 0 | 0 | 113 | R175 H176 A177 H439 | R175-Q179 VanDerWaalsContact O-CG 3.32Å; R175-Q179 WeakPolarHBondContact O-CG 3.26Å; R175-Q179 PolarHBondContact O-N 3.44Å; H176-Q179 PolarHBondContact ND1-OE1 2.9Å; H176-Q179 PolarHBondContact O-N 3.36Å; A177-Q179 PolarHBondContact O-N 2.86Å; Q179-H439 PolarHBondContact NE2-CD2 3.26Å; Q179-H439 PolarHBondContact NE2-CE1 2.72Å; Q179-H439 PolarHBondContact NE2-NE2 3.33Å |
| 180 | L | 87.8 | Confident | 94.5 | Very high | 38 Ų | 38 | 25.1 Ų | 25.1 | 20% | 0.199 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -76 | -37.4 | -172.4 | -172.2 | 62.8 | 0 | 0 | 0 | 113.5 | L116 S147 C150 Q151 L154 H176 A177 A178 | L116-L180 HydrophobicContact CD1-CD2 4.47Å; L116-L180 HydrophobicContact CD2-CD2 4.34Å; S147-L180 WeakPolarHBondContact O-CD2 3.29Å; C150-L180 HydrophobicContact CB-CD2 3.51Å; Q151-L180 HydrophobicContact CB-CD2 4.4Å; L154-L180 HydrophobicContact CD1-CD2 4.36Å; H176-L180 PolarHBondContact O-N 3.24Å; H176-L180 VanDerWaalsContact O-N 3.17Å; A177-L180 PolarHBondContact O-N 2.88Å; A178-L180 VanDerWaalsContact C-N 3.32Å; A178-L180 PolarHBondContact O-N 3.37Å |
| 181 | V | 91.8 | Very high | 94.6 | Very high | 26 Ų | 26 | 25.3 Ų | 25.3 | 16% | 0.158 | 13% | 0.126 | C | C | . | . | trans | -138.6 | 81.3 | 169.8 | -170.7 | 0 | 0 | 0 | 0 | 109.9 | Q151 A177 A178 S183 N184 | Q151-V181 HydrophobicContact CB-CG2 4.34Å; Q151-V181 PolarHBondContact NE2-O 3.04Å; A177-V181 PolarHBondContact O-N 2.89Å; A178-V181 CarbonylContact O-C 3.48Å; V181-S183 WeakPolarHBondContact CG1-OG 3.41Å; V181-S183 PolarHBondContact O-N 3.41Å; V181-N184 PolarHBondContact O-N 2.98Å | ||
| 182 | P | 92.9 | Very high | 94.8 | Very high | 17 Ų | 17 | 24 Ų | 24 | 11% | 0.11 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | 1.1 | -176.9 | -18.4 | 29.7 | 0 | 0 | 0 | 115 | A178 V214 Q421 | A178-P182 WeakPolarHBondContact O-CA 3.46Å; A178-P182 WeakPolarHBondContact O-CD 3.32Å; A178-P182 VanDerWaalsContact O-CG 3.28Å; A178-P182 WeakPolarHBondContact O-CG 3.46Å; A178-P182 VanDerWaalsContact O-N 3.11Å; P182-V214 WeakPolarHBondContact O-CG1 3.37Å; P182-Q421 HydrophobicContact CB-CB 4.04Å; P182-Q421 HydrophobicContact CB-CG 4.1Å; P182-Q421 WeakPolarHBondContact CB-O 3.44Å; P182-Q421 HydrophobicContact CG-CB 4.17Å; P182-Q421 HydrophobicContact CG-CG 3.95Å |
| 183 | S | 94.3 | Very high | 94.9 | Very high | 33 Ų | 33 | 24.1 Ų | 24.1 | 23% | 0.231 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | -7.9 | 179.1 | 65.6 | 0 | 0 | 0 | 0 | 113.7 | V181 K215 F216 | V181-S183 WeakPolarHBondContact CG1-OG 3.41Å; V181-S183 PolarHBondContact O-N 3.41Å; S183-K215 PolarHBondContact O-N 3.17Å; S183-F216 WeakPolarHBondContact O-CB 3.16Å; S183-F216 WeakPolarHBondContact O-CD2 3.34Å; S183-F216 PolarHBondContact O-N 3.47Å |
| 184 | N | 95.8 | Very high | 95 | Very high | 24 Ų | 24 | 22 Ų | 22 | 13% | 0.128 | 11% | 0.109 | C | C | . | . | B | Isolated β-bridge | trans | -95.1 | 129.6 | 174.4 | 179.3 | 4.9 | 0 | 0 | 0 | 110.6 | Q151 V181 Q186 P187 Y188 | Q151-N184 PolarHBondContact OE1-ND2 3.45Å; V181-N184 PolarHBondContact O-N 2.98Å; N184-Q186 WeakPolarHBondContact OD1-CB 3.47Å; N184-Q186 PolarHBondContact OD1-N 3.01Å; N184-P187 WeakPolarHBondContact O-CD 3.35Å; N184-Y188 WeakPolarHBondContact O-CD2 3.4Å; N184-Y188 WeakPolarHBondContact O-CE2 3.13Å |
| 185 | G | 97.3 | Very high | 95 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 11% | 0.112 | C | C | . | . | S | Bend | trans | -69.3 | -29.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y188 N189 S211 F216 | G185-Y188 WeakPolarHBondContact O-CB 3.41Å; G185-Y188 PolarHBondContact O-N 3.12Å; G185-N189 PolarHBondContact O-N 3.48Å; G185-S211 WeakPolarHBondContact CA-O 3.42Å; G185-S211 PolarHBondContact O-OG 2.78Å; G185-F216 PolarHBondContact N-O 2.96Å |
| 186 | Q | 96.3 | Very high | 95.1 | Very high | 38 Ų | 38 | 20.3 Ų | 20.3 | 18% | 0.178 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -53.4 | -45.9 | -166.3 | -173 | -174.9 | 6.3 | 0 | 0 | 114.8 | V155 N184 Y188 N189 Q190 F218 | V155-Q186 HydrophobicContact CG1-CG 4.26Å; N184-Q186 WeakPolarHBondContact OD1-CB 3.47Å; N184-Q186 PolarHBondContact OD1-N 3.01Å; Q186-Y188 VanDerWaalsContact C-N 3.3Å; Q186-Y188 PolarHBondContact O-N 3.34Å; Q186-N189 WeakPolarHBondContact O-CB 3.26Å; Q186-N189 PolarHBondContact O-N 2.78Å; Q186-Q190 PolarHBondContact O-N 3.41Å; Q186-F218 HydrophobicContact CB-CD2 3.9Å; Q186-F218 HydrophobicContact CB-CE2 4.28Å; Q186-F218 HydrophobicContact CB-CG 4.41Å; Q186-F218 HydrophobicContact CG-CD2 4.11Å; Q186-F218 HydrophobicContact CG-CE2 3.97Å; Q186-F218 HydrophobicContact CG-CZ 4.48Å |
| 187 | P | 98.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63.3 | -35.7 | 179.4 | -20.2 | 33.3 | 0 | 0 | 0 | 112.8 | Q151 V155 A177 A178 N184 Q190 L191 | Q151-P187 HydrophobicContact CG-CG 4.39Å; V155-P187 HydrophobicContact CG2-CB 4.45Å; V155-P187 HydrophobicContact CG2-CG 3.96Å; A177-P187 HydrophobicContact CB-CB 4.05Å; A177-P187 HydrophobicContact CB-CG 3.95Å; A178-P187 HydrophobicContact CB-CB 4.03Å; N184-P187 WeakPolarHBondContact O-CD 3.35Å; P187-Q190 PolarHBondContact O-N 3.34Å; P187-L191 WeakPolarHBondContact O-CG 3.46Å; P187-L191 PolarHBondContact O-N 2.75Å |
| 188 | Y | 98.3 | Very high | 95.4 | Very high | 13 Ų | 13 | 27.9 Ų | 27.9 | 5% | 0.051 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -68 | -37.6 | 177.6 | -53.1 | -73.2 | 0 | 0 | 0 | 111.3 | A178 N184 G185 Q186 Q190 L191 A192 Y207 R210 V214 | A178-Y188 HydrophobicContact CB-CD1 4.43Å; A178-Y188 HydrophobicContact CB-CE1 3.84Å; N184-Y188 WeakPolarHBondContact O-CD2 3.4Å; N184-Y188 WeakPolarHBondContact O-CE2 3.13Å; G185-Y188 WeakPolarHBondContact O-CB 3.41Å; G185-Y188 PolarHBondContact O-N 3.12Å; Q186-Y188 VanDerWaalsContact C-N 3.3Å; Q186-Y188 PolarHBondContact O-N 3.34Å; Y188-Q190 VanDerWaalsContact C-N 3.31Å; Y188-Q190 PolarHBondContact O-N 3.12Å; Y188-L191 PolarHBondContact O-N 3.13Å; Y188-A192 PolarHBondContact O-N 2.68Å; Y188-Y207 HydrophobicContact CD1-CD1 4.07Å; Y188-Y207 HydrophobicContact CD1-CE1 4.31Å; Y188-Y207 WeakPolarHBondContact O-CB 3.42Å; Y188-R210 HydrophobicContact CD1-CB 4Å; Y188-R210 HydrophobicContact CG-CB 4.05Å; Y188-R210 PolarHBondContact OH-NH2 3.42Å; Y188-V214 HydrophobicContact CE2-CG1 4.21Å |
| 189 | N | 98.3 | Very high | 95.4 | Very high | 3 Ų | 3 | 29.4 Ų | 29.4 | 2% | 0.016 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -57.5 | -44.4 | 171.6 | -171.2 | 83.5 | 0 | 0 | 0 | 112 | G185 Q186 L191 A192 I193 F218 A221 | G185-N189 PolarHBondContact O-N 3.48Å; Q186-N189 WeakPolarHBondContact O-CB 3.26Å; Q186-N189 PolarHBondContact O-N 2.78Å; N189-L191 PolarHBondContact O-N 2.79Å; N189-A192 WeakPolarHBondContact O-CB 3.27Å; N189-A192 PolarHBondContact O-N 3.02Å; N189-I193 WeakPolarHBondContact O-CG1 3.47Å; N189-I193 PolarHBondContact O-N 3.39Å; N189-I193 VanDerWaalsContact O-N 3.09Å; N189-F218 HydrophobicContact CB-CD1 3.55Å; N189-F218 HydrophobicContact CB-CE1 4.02Å; N189-F218 HydrophobicContact CB-CG 4.31Å; N189-F218 VanDerWaalsContact CG-CD1 3.49Å; N189-A221 WeakPolarHBondContact OD1-CA 3.45Å; N189-A221 WeakPolarHBondContact OD1-CB 3.44Å |
| 190 | Q | 98.1 | Very high | 95.8 | Very high | 19 Ų | 19 | 29.8 Ų | 29.8 | 9% | 0.089 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -69.9 | -33.9 | -179.8 | -51.4 | -51.4 | 79.6 | 0 | 0 | 112 | V155 D159 Y174 Q186 P187 Y188 I193 L194 | V155-Q190 HydrophobicContact CG1-CG 4.44Å; D159-Q190 PolarHBondContact OD1-NE2 3.27Å; Y174-Q190 HydrophobicContact CD1-CB 3.69Å; Y174-Q190 HydrophobicContact CD1-CG 4.1Å; Y174-Q190 HydrophobicContact CD2-CB 3.87Å; Y174-Q190 HydrophobicContact CE1-CB 3.38Å; Y174-Q190 HydrophobicContact CE1-CG 3.58Å; Y174-Q190 HydrophobicContact CE2-CB 3.6Å; Y174-Q190 HydrophobicContact CG-CB 3.93Å; Q186-Q190 PolarHBondContact O-N 3.41Å; P187-Q190 PolarHBondContact O-N 3.34Å; Y188-Q190 VanDerWaalsContact C-N 3.31Å; Y188-Q190 PolarHBondContact O-N 3.12Å; Q190-I193 PolarHBondContact O-N 2.9Å; Q190-L194 WeakPolarHBondContact O-CG 3.46Å; Q190-L194 PolarHBondContact O-N 3.13Å |
| 191 | L | 98.3 | Very high | 96.2 | Very high | 4 Ų | 4 | 32.3 Ų | 32.3 | 2% | 0.021 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -65.4 | -36.8 | 171.2 | -73.1 | 165.9 | 0 | 0 | 0 | 112.5 | E171 Y174 R175 P187 Y188 N189 L194 A195 Y207 | E171-L191 HydrophobicContact CG-CD2 3.84Å; Y174-L191 HydrophobicContact CD2-CD2 4.41Å; Y174-L191 HydrophobicContact CG-CG 4.5Å; R175-L191 HydrophobicContact CG-CD2 4.44Å; P187-L191 WeakPolarHBondContact O-CG 3.46Å; P187-L191 PolarHBondContact O-N 2.75Å; Y188-L191 PolarHBondContact O-N 3.13Å; N189-L191 PolarHBondContact O-N 2.79Å; L191-L194 PolarHBondContact O-N 3.21Å; L191-A195 WeakPolarHBondContact O-CB 3.33Å; L191-A195 PolarHBondContact O-N 3.3Å; L191-Y207 HydrophobicContact CB-CD1 3.89Å; L191-Y207 HydrophobicContact CB-CD2 3.69Å; L191-Y207 HydrophobicContact CB-CE1 4Å; L191-Y207 HydrophobicContact CB-CE2 3.81Å; L191-Y207 HydrophobicContact CB-CG 3.76Å; L191-Y207 HydrophobicContact CD1-CD1 4.21Å; L191-Y207 HydrophobicContact CD1-CE1 3.71Å; L191-Y207 HydrophobicContact CG-CE1 4.42Å |
| 192 | A | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63 | -42.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y188 N189 A195 S196 Y208 | Y188-A192 PolarHBondContact O-N 2.68Å; N189-A192 WeakPolarHBondContact O-CB 3.27Å; N189-A192 PolarHBondContact O-N 3.02Å; A192-A195 PolarHBondContact O-N 2.93Å; A192-S196 WeakPolarHBondContact O-CB 3.46Å; A192-S196 PolarHBondContact O-N 3.33Å; A192-Y208 HydrophobicContact CB-CD1 3.51Å; A192-Y208 HydrophobicContact CB-CD2 4.04Å; A192-Y208 HydrophobicContact CB-CE1 3.42Å; A192-Y208 VanDerWaalsContact CB-CE1 3.42Å; A192-Y208 HydrophobicContact CB-CE2 3.99Å; A192-Y208 HydrophobicContact CB-CG 3.8Å |
| 193 | I | 96.6 | Very high | 96.8 | Very high | 36 Ų | 36 | 31.4 Ų | 31.4 | 19% | 0.185 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62 | -43.2 | 174.8 | -67.1 | 168.7 | 0 | 0 | 0 | 110.8 | N189 Q190 S196 S197 | N189-I193 WeakPolarHBondContact O-CG1 3.47Å; N189-I193 PolarHBondContact O-N 3.39Å; N189-I193 VanDerWaalsContact O-N 3.09Å; Q190-I193 PolarHBondContact O-N 2.9Å; I193-S196 PolarHBondContact O-N 3.01Å; I193-S197 PolarHBondContact O-N 2.89Å |
| 194 | L | 96.6 | Very high | 97 | Very high | 3 Ų | 3 | 30.1 Ų | 30.1 | 2% | 0.016 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.2 | -45.4 | 174.9 | -69.1 | -170.9 | 0 | 0 | 0 | 112.3 | R162 T167 A170 E171 Y174 Q190 L191 S196 S197 K198 | R162-L194 HydrophobicContact CB-CD2 4.39Å; R162-L194 HydrophobicContact CG-CD2 3.88Å; T167-L194 HydrophobicContact CG2-CD2 4.42Å; A170-L194 HydrophobicContact CB-CD1 3.96Å; E171-L194 HydrophobicContact CB-CD1 3.75Å; E171-L194 HydrophobicContact CG-CD1 4.18Å; Y174-L194 HydrophobicContact CD2-CD1 3.7Å; Y174-L194 HydrophobicContact CD2-CG 4.36Å; Y174-L194 HydrophobicContact CE2-CD1 3.74Å; Y174-L194 HydrophobicContact CE2-CG 4.08Å; Q190-L194 WeakPolarHBondContact O-CG 3.46Å; Q190-L194 PolarHBondContact O-N 3.13Å; L191-L194 PolarHBondContact O-N 3.21Å; L194-S196 VanDerWaalsContact C-N 3.31Å; L194-S196 PolarHBondContact O-N 3.07Å; L194-S197 PolarHBondContact O-N 3.4Å; L194-S197 PolarHBondContact O-OG 2.97Å; L194-K198 PolarHBondContact O-N 2.87Å |
| 195 | A | 96.8 | Very high | 97.1 | Very high | 7 Ų | 7 | 29.3 Ų | 29.3 | 6% | 0.058 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59.7 | -42.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L191 A192 S197 K198 G199 D200 T203 T204 | L191-A195 WeakPolarHBondContact O-CB 3.33Å; L191-A195 PolarHBondContact O-N 3.3Å; A192-A195 PolarHBondContact O-N 2.93Å; A195-S197 VanDerWaalsContact C-N 3.32Å; A195-S197 PolarHBondContact O-N 3.2Å; A195-K198 PolarHBondContact O-N 3.21Å; A195-K198 VanDerWaalsContact O-N 3.1Å; A195-G199 PolarHBondContact O-N 3.24Å; A195-D200 PolarHBondContact O-N 3.38Å; A195-T203 HydrophobicContact CB-CG2 3.86Å; A195-T204 VanDerWaalsContact C-OG1 3.32Å |
| 196 | S | 96.4 | Very high | 97.2 | Very high | 55 Ų | 55 | 29.3 Ų | 29.3 | 39% | 0.385 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -63.9 | -37 | 177.8 | -169.6 | 0 | 0 | 0 | 0 | 112.1 | A192 I193 L194 K198 G199 T204 | A192-S196 WeakPolarHBondContact O-CB 3.46Å; A192-S196 PolarHBondContact O-N 3.33Å; I193-S196 PolarHBondContact O-N 3.01Å; L194-S196 VanDerWaalsContact C-N 3.31Å; L194-S196 PolarHBondContact O-N 3.07Å; S196-K198 PolarHBondContact O-N 3.43Å; S196-G199 PolarHBondContact O-N 3.2Å; S196-G199 VanDerWaalsContact O-N 3.1Å; S196-T204 VanDerWaalsContact CA-OG1 3.23Å; S196-T204 WeakPolarHBondContact CA-OG1 3.45Å; S196-T204 PolarHBondContact N-OG1 3.45Å |
| 197 | S | 94.7 | Very high | 97.3 | Very high | 85 Ų | 85 | 28.3 Ų | 28.3 | 59% | 0.594 | 16% | 0.162 | S | C | * | . | H | α-helix | trans | -66.2 | -22.1 | 175.9 | 75.2 | 0 | 0 | 0 | 0 | 113.7 | I193 L194 A195 | I193-S197 PolarHBondContact O-N 2.89Å; L194-S197 PolarHBondContact O-N 3.4Å; L194-S197 PolarHBondContact O-OG 2.97Å; A195-S197 VanDerWaalsContact C-N 3.32Å; A195-S197 PolarHBondContact O-N 3.2Å |
| 198 | K | 93.8 | Very high | 97.3 | Very high | 119 Ų | 119 | 29 Ų | 29 | 52% | 0.517 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90 | -5 | 173.3 | -60.5 | 179.5 | -173.3 | -178.5 | 0 | 113.5 | E171 L194 A195 S196 D200 | E171-K198 IonicContact OE1-NZ 3.87Å; E171-K198 IonicContact OE2-NZ 2.66Å; E171-K198 PolarHBondContact OE2-NZ 3.2Å; L194-K198 PolarHBondContact O-N 2.87Å; A195-K198 PolarHBondContact O-N 3.21Å; A195-K198 VanDerWaalsContact O-N 3.1Å; S196-K198 PolarHBondContact O-N 3.43Å; K198-D200 VanDerWaalsContact C-N 3.3Å |
| 199 | G | 94.3 | Very high | 97.3 | Very high | 41 Ų | 41 | 28.5 Ų | 28.5 | 42% | 0.423 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.6 | 8.1 | -171.6 | 0 | 0 | 0 | 0 | 0 | 115 | A195 S196 H201 | A195-G199 PolarHBondContact O-N 3.24Å; S196-G199 PolarHBondContact O-N 3.2Å; S196-G199 VanDerWaalsContact O-N 3.1Å; G199-H201 PolarHBondContact O-N 2.83Å; G199-H201 PolarHBondContact O-ND1 3.27Å |
| 200 | D | 96.3 | Very high | 97.3 | Very high | 65 Ų | 65 | 28.3 Ų | 28.3 | 35% | 0.348 | 16% | 0.162 | S | C | . | . | trans | -79.7 | 84.6 | 177.9 | -174.9 | -10.8 | 0 | 0 | 0 | 110.7 | A195 K198 L202 T203 T204 | A195-D200 PolarHBondContact O-N 3.38Å; K198-D200 VanDerWaalsContact C-N 3.3Å; D200-L202 VanDerWaalsContact C-N 3.32Å; D200-L202 PolarHBondContact O-N 2.84Å; D200-L202 PolarHBondContact OD1-N 2.81Å; D200-T203 WeakPolarHBondContact OD1-CB 3.28Å; D200-T203 PolarHBondContact OD1-N 3.47Å; D200-T203 PolarHBondContact OD1-OG1 2.88Å; D200-T203 WeakPolarHBondContact OD2-CB 3.44Å; D200-T203 PolarHBondContact OD2-OG1 2.96Å; D200-T204 VanDerWaalsContact O-CB 3.31Å; D200-T204 WeakPolarHBondContact O-CB 3.35Å; D200-T204 PolarHBondContact O-N 3.38Å; D200-T204 PolarHBondContact O-OG1 3.47Å | ||
| 201 | H | 97 | Very high | 97.3 | Very high | 91 Ų | 91 | 27.4 Ų | 27.4 | 42% | 0.421 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -64.7 | -31.6 | -177 | -55.6 | -36 | 0 | 0 | 0 | 113.6 | G199 I205 I249 I253 | G199-H201 PolarHBondContact O-N 2.83Å; G199-H201 PolarHBondContact O-ND1 3.27Å; H201-I205 WeakPolarHBondContact O-CG1 3.48Å; H201-I205 PolarHBondContact O-N 2.96Å; H201-I205 VanDerWaalsContact O-N 3.13Å; H201-I249 HydrophobicContact CB-CG2 4.44Å; H201-I253 HydrophobicContact CB-CD1 3.67Å |
| 202 | L | 98.4 | Very high | 97.3 | Very high | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -69.9 | -52.1 | -179.8 | 179.3 | 63.7 | 0 | 0 | 0 | 110.2 | D200 T204 I205 F206 I249 F252 Q292 H295 I296 I299 | D200-L202 VanDerWaalsContact C-N 3.32Å; D200-L202 PolarHBondContact O-N 2.84Å; D200-L202 PolarHBondContact OD1-N 2.81Å; L202-T204 PolarHBondContact O-N 3.42Å; L202-I205 PolarHBondContact O-N 3.48Å; L202-F206 WeakPolarHBondContact O-CB 3.29Å; L202-F206 PolarHBondContact O-N 3.26Å; L202-I249 HydrophobicContact CB-CD1 4.11Å; L202-I249 HydrophobicContact CB-CG1 4.38Å; L202-I249 HydrophobicContact CB-CG2 3.97Å; L202-I249 HydrophobicContact CD2-CD1 4.16Å; L202-I249 HydrophobicContact CD2-CG1 4.39Å; L202-F252 HydrophobicContact CD1-CD1 4.18Å; L202-F252 HydrophobicContact CD1-CE1 4.04Å; L202-Q292 HydrophobicContact CD2-CB 4Å; L202-Q292 HydrophobicContact CD2-CG 4.06Å; L202-H295 HydrophobicContact CD1-CB 4.48Å; L202-H295 HydrophobicContact CD2-CB 4.3Å; L202-H295 HydrophobicContact CG-CB 4.14Å; L202-I296 HydrophobicContact CD1-CG1 4Å; L202-I296 HydrophobicContact CD2-CD1 4.46Å; L202-I296 HydrophobicContact CD2-CG1 4.18Å; L202-I299 HydrophobicContact CD1-CD1 3.74Å |
| 203 | T | 98.2 | Very high | 97.2 | Very high | 23 Ų | 23 | 28.5 Ų | 28.5 | 14% | 0.141 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64.2 | -31.4 | 177.7 | -57.5 | 0 | 0 | 0 | 0 | 111.6 | A195 D200 Y207 | A195-T203 HydrophobicContact CB-CG2 3.86Å; D200-T203 WeakPolarHBondContact OD1-CB 3.28Å; D200-T203 PolarHBondContact OD1-N 3.47Å; D200-T203 PolarHBondContact OD1-OG1 2.88Å; D200-T203 WeakPolarHBondContact OD2-CB 3.44Å; D200-T203 PolarHBondContact OD2-OG1 2.96Å; T203-Y207 HydrophobicContact CG2-CD2 3.5Å; T203-Y207 HydrophobicContact CG2-CE2 3.3Å; T203-Y207 WeakPolarHBondContact O-CB 3.12Å; T203-Y207 VanDerWaalsContact O-CD2 3.25Å; T203-Y207 WeakPolarHBondContact O-CD2 3.46Å; T203-Y207 PolarHBondContact O-N 3.31Å |
| 204 | T | 98.6 | Very high | 97.2 | Very high | 6 Ų | 6 | 26.9 Ų | 26.9 | 4% | 0.037 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59.9 | -54.3 | 172.4 | -60.9 | 0 | 0 | 0 | 0 | 111.9 | A195 S196 D200 L202 Y207 Y208 | A195-T204 VanDerWaalsContact C-OG1 3.32Å; S196-T204 VanDerWaalsContact CA-OG1 3.23Å; S196-T204 WeakPolarHBondContact CA-OG1 3.45Å; S196-T204 PolarHBondContact N-OG1 3.45Å; D200-T204 VanDerWaalsContact O-CB 3.31Å; D200-T204 WeakPolarHBondContact O-CB 3.35Å; D200-T204 PolarHBondContact O-N 3.38Å; D200-T204 PolarHBondContact O-OG1 3.47Å; L202-T204 PolarHBondContact O-N 3.42Å; T204-Y207 PolarHBondContact O-N 2.82Å; T204-Y208 HydrophobicContact CG2-CD2 3.91Å; T204-Y208 HydrophobicContact CG2-CE2 3.48Å; T204-Y208 VanDerWaalsContact CG2-CE2 3.48Å; T204-Y208 WeakPolarHBondContact O-CD2 3.43Å; T204-Y208 PolarHBondContact O-N 2.95Å; T204-Y208 VanDerWaalsContact O-N 3.09Å |
| 205 | I | 98.6 | Very high | 97.1 | Very high | 6 Ų | 6 | 32.8 Ų | 32.8 | 3% | 0.031 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.6 | -45 | -179.6 | -63.9 | -64.9 | 0 | 0 | 0 | 110.1 | H201 L202 Y207 Y208 C209 L225 A228 L229 I253 I299 | H201-I205 WeakPolarHBondContact O-CG1 3.48Å; H201-I205 PolarHBondContact O-N 2.96Å; H201-I205 VanDerWaalsContact O-N 3.13Å; L202-I205 PolarHBondContact O-N 3.48Å; I205-Y207 VanDerWaalsContact C-N 3.34Å; I205-Y207 PolarHBondContact O-N 2.74Å; I205-Y208 PolarHBondContact O-N 3.03Å; I205-C209 PolarHBondContact O-N 3.41Å; I205-C209 PolarHBondContact O-SG 2.92Å; I205-L225 HydrophobicContact CD1-CD1 3.65Å; I205-L225 HydrophobicContact CG2-CD1 4.09Å; I205-A228 HydrophobicContact CD1-CB 4.02Å; I205-L229 HydrophobicContact CD1-CD2 3.9Å; I205-L229 HydrophobicContact CD1-CG 4.39Å; I205-I253 HydrophobicContact CD1-CG2 4.27Å; I205-I253 HydrophobicContact CG1-CD1 3.91Å; I205-I253 HydrophobicContact CG1-CG1 4.07Å; I205-I253 HydrophobicContact CG1-CG2 4.07Å; I205-I299 HydrophobicContact CB-CD1 4.23Å; I205-I299 HydrophobicContact CG2-CD1 3.9Å; I205-I299 HydrophobicContact CG2-CG1 4.2Å; I205-I299 HydrophobicContact CG2-CG2 4.18Å |
| 206 | F | 98.6 | Very high | 97 | Very high | 1 Ų | 1 | 37.6 Ų | 37.6 | 0% | 0.004 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -51.2 | -49.3 | 174.2 | 166 | -99.8 | 0 | 0 | 0 | 112.5 | L202 C209 R210 H295 V298 I299 E419 L420 | L202-F206 WeakPolarHBondContact O-CB 3.29Å; L202-F206 PolarHBondContact O-N 3.26Å; F206-C209 WeakPolarHBondContact O-CB 3.48Å; F206-C209 PolarHBondContact O-N 3.19Å; F206-R210 HydrophobicContact CD1-CG 4.46Å; F206-R210 HydrophobicContact CD2-CG 4.24Å; F206-R210 HydrophobicContact CE1-CG 4.09Å; F206-R210 HydrophobicContact CE2-CG 3.86Å; F206-R210 HydrophobicContact CZ-CG 3.78Å; F206-R210 WeakPolarHBondContact O-CG 3.42Å; F206-R210 PolarHBondContact O-N 3.28Å; F206-H295 HydrophobicContact CB-CB 4.1Å; F206-H295 AromaticContact CD1-CD2 3.74Å; F206-H295 AromaticContact CD1-CE1 3.71Å; F206-H295 AromaticContact CD1-NE2 3.54Å; F206-H295 HydrophobicContact CD2-CB 3.98Å; F206-H295 AromaticContact CD2-CD2 3.49Å; F206-H295 VanDerWaalsContact CD2-CD2 3.49Å; F206-H295 WeakPolarHBondContact CD2-CD2 3.37Å; F206-H295 AromaticContact CD2-CG 3.76Å; F206-H295 AromaticContact CE1-CD2 3.69Å; F206-H295 AromaticContact CE1-CE1 3.92Å; F206-H295 AromaticContact CE1-NE2 3.33Å; F206-H295 VanDerWaalsContact CE1-NE2 3.33Å; F206-H295 WeakPolarHBondContact CE1-NE2 3.45Å; F206-H295 AromaticContact CE2-CD2 3.42Å; F206-H295 VanDerWaalsContact CE2-CD2 3.42Å; F206-H295 WeakPolarHBondContact CE2-CD2 3.33Å; F206-H295 AromaticContact CE2-NE2 3.95Å; F206-H295 HydrophobicContact CG-CB 4.09Å; F206-H295 AromaticContact CG-CD2 3.64Å; F206-H295 AromaticContact CG-CG 3.65Å; F206-H295 AromaticContact CG-ND1 3.99Å; F206-H295 AromaticContact CG-NE2 3.94Å; F206-H295 AromaticContact CZ-CD2 3.52Å; F206-H295 AromaticContact CZ-NE2 3.55Å; F206-V298 HydrophobicContact CD2-CB 4.05Å; F206-V298 HydrophobicContact CD2-CG1 3.86Å; F206-V298 HydrophobicContact CE2-CB 3.91Å; F206-V298 HydrophobicContact CE2-CG1 3.66Å; F206-V298 HydrophobicContact CE2-CG2 4.3Å; F206-I299 HydrophobicContact CB-CD1 4.13Å; F206-I299 HydrophobicContact CB-CG1 4.33Å; F206-E419 HydrophobicContact CZ-CG 4.05Å; F206-L420 HydrophobicContact CE2-CD2 4Å; F206-L420 HydrophobicContact CZ-CD2 4.15Å |
| 207 | Y | 98.7 | Very high | 97 | Very high | 17 Ų | 17 | 38.2 Ų | 38.2 | 7% | 0.067 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -71.3 | -31.5 | -179 | -81.6 | -52.3 | 0 | 0 | 0 | 113.5 | Y188 L191 T203 T204 I205 R210 S211 | Y188-Y207 HydrophobicContact CD1-CD1 4.07Å; Y188-Y207 HydrophobicContact CD1-CE1 4.31Å; Y188-Y207 WeakPolarHBondContact O-CB 3.42Å; L191-Y207 HydrophobicContact CB-CD1 3.89Å; L191-Y207 HydrophobicContact CB-CD2 3.69Å; L191-Y207 HydrophobicContact CB-CE1 4Å; L191-Y207 HydrophobicContact CB-CE2 3.81Å; L191-Y207 HydrophobicContact CB-CG 3.76Å; L191-Y207 HydrophobicContact CD1-CD1 4.21Å; L191-Y207 HydrophobicContact CD1-CE1 3.71Å; L191-Y207 HydrophobicContact CG-CE1 4.42Å; T203-Y207 HydrophobicContact CG2-CD2 3.5Å; T203-Y207 HydrophobicContact CG2-CE2 3.3Å; T203-Y207 WeakPolarHBondContact O-CB 3.12Å; T203-Y207 VanDerWaalsContact O-CD2 3.25Å; T203-Y207 WeakPolarHBondContact O-CD2 3.46Å; T203-Y207 PolarHBondContact O-N 3.31Å; T204-Y207 PolarHBondContact O-N 2.82Å; I205-Y207 VanDerWaalsContact C-N 3.34Å; I205-Y207 PolarHBondContact O-N 2.74Å; Y207-R210 PolarHBondContact O-N 3.47Å; Y207-S211 VanDerWaalsContact O-CB 3.28Å; Y207-S211 WeakPolarHBondContact O-CB 3.42Å; Y207-S211 PolarHBondContact O-N 3.23Å |
| 208 | Y | 98.7 | Very high | 97 | Very high | 15 Ų | 15 | 37 Ų | 37 | 6% | 0.059 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.9 | -45.5 | 168.8 | -71.4 | -48.5 | 0 | 0 | 0 | 111.4 | A192 T204 I205 R210 S211 I212 A221 N224 L225 | A192-Y208 HydrophobicContact CB-CD1 3.51Å; A192-Y208 HydrophobicContact CB-CD2 4.04Å; A192-Y208 HydrophobicContact CB-CE1 3.42Å; A192-Y208 VanDerWaalsContact CB-CE1 3.42Å; A192-Y208 HydrophobicContact CB-CE2 3.99Å; A192-Y208 HydrophobicContact CB-CG 3.8Å; T204-Y208 HydrophobicContact CG2-CD2 3.91Å; T204-Y208 HydrophobicContact CG2-CE2 3.48Å; T204-Y208 VanDerWaalsContact CG2-CE2 3.48Å; T204-Y208 WeakPolarHBondContact O-CD2 3.43Å; T204-Y208 PolarHBondContact O-N 2.95Å; T204-Y208 VanDerWaalsContact O-N 3.09Å; I205-Y208 PolarHBondContact O-N 3.03Å; Y208-R210 VanDerWaalsContact C-N 3.32Å; Y208-R210 PolarHBondContact O-N 2.94Å; Y208-S211 WeakPolarHBondContact O-CB 3.31Å; Y208-S211 PolarHBondContact O-N 3.48Å; Y208-S211 VanDerWaalsContact O-N 3.09Å; Y208-I212 WeakPolarHBondContact O-CD1 3.22Å; Y208-I212 VanDerWaalsContact O-CG1 3.3Å; Y208-I212 WeakPolarHBondContact O-CG1 3.3Å; Y208-I212 PolarHBondContact O-N 3.34Å; Y208-A221 HydrophobicContact CD1-CB 4.14Å; Y208-N224 HydrophobicContact CD1-CB 4.18Å; Y208-N224 HydrophobicContact CE1-CB 3.53Å; Y208-N224 HydrophobicContact CE2-CB 4.26Å; Y208-L225 HydrophobicContact CG-CB 4.45Å |
| 209 | C | 98.4 | Very high | 97 | Very high | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.007 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -57.2 | -42.6 | 173.8 | -64.4 | 0 | 0 | 0 | 0 | 112 | I205 F206 I212 A213 F302 | I205-C209 PolarHBondContact O-N 3.41Å; I205-C209 PolarHBondContact O-SG 2.92Å; F206-C209 WeakPolarHBondContact O-CB 3.48Å; F206-C209 PolarHBondContact O-N 3.19Å; C209-I212 PolarHBondContact O-N 3.17Å; C209-A213 WeakPolarHBondContact O-CB 3.4Å; C209-A213 PolarHBondContact O-N 3.28Å; C209-F302 HydrophobicContact CB-CB 3.93Å; C209-F302 HydrophobicContact CB-CD1 3.78Å; C209-F302 HydrophobicContact CB-CD2 3.78Å; C209-F302 HydrophobicContact CB-CE1 4.25Å; C209-F302 HydrophobicContact CB-CE2 4.25Å; C209-F302 HydrophobicContact CB-CG 3.53Å; C209-F302 HydrophobicContact CB-CZ 4.47Å; C209-F302 WeakPolarHBondContact SG-CD1 3.44Å |
| 210 | R | 98.1 | Very high | 97 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -66.5 | -33.1 | 174.6 | -72 | -71 | -74.9 | 106.9 | -11.4 | 113.3 | Y188 F206 Y207 Y208 I212 V214 E419 Q421 | Y188-R210 HydrophobicContact CD1-CB 4Å; Y188-R210 HydrophobicContact CG-CB 4.05Å; Y188-R210 PolarHBondContact OH-NH2 3.42Å; F206-R210 HydrophobicContact CD1-CG 4.46Å; F206-R210 HydrophobicContact CD2-CG 4.24Å; F206-R210 HydrophobicContact CE1-CG 4.09Å; F206-R210 HydrophobicContact CE2-CG 3.86Å; F206-R210 HydrophobicContact CZ-CG 3.78Å; F206-R210 WeakPolarHBondContact O-CG 3.42Å; F206-R210 PolarHBondContact O-N 3.28Å; Y207-R210 PolarHBondContact O-N 3.47Å; Y208-R210 VanDerWaalsContact C-N 3.32Å; Y208-R210 PolarHBondContact O-N 2.94Å; R210-I212 VanDerWaalsContact C-N 3.34Å; R210-V214 WeakPolarHBondContact O-CG1 3.1Å; R210-E419 PolarHBondContact NE-O 3.5Å; R210-E419 PolarHBondContact NH2-O 3.48Å; R210-Q421 PolarHBondContact NH2-O 3.48Å |
| 211 | S | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -70.3 | -29.7 | 176.1 | -172.7 | 0 | 0 | 0 | 0 | 113.2 | G185 Y207 Y208 P217 F218 A221 | G185-S211 WeakPolarHBondContact CA-O 3.42Å; G185-S211 PolarHBondContact O-OG 2.78Å; Y207-S211 VanDerWaalsContact O-CB 3.28Å; Y207-S211 WeakPolarHBondContact O-CB 3.42Å; Y207-S211 PolarHBondContact O-N 3.23Å; Y208-S211 WeakPolarHBondContact O-CB 3.31Å; Y208-S211 PolarHBondContact O-N 3.48Å; Y208-S211 VanDerWaalsContact O-N 3.09Å; S211-P217 WeakPolarHBondContact O-CA 3.5Å; S211-F218 PolarHBondContact O-N 3.47Å; S211-F218 WeakPolarHBondContact OG-CB 3.37Å; S211-A221 VanDerWaalsContact OG-CB 3.22Å; S211-A221 WeakPolarHBondContact OG-CB 3.34Å |
| 212 | I | 97.9 | Very high | 97 | Very high | 20 Ų | 20 | 30.5 Ų | 30.5 | 10% | 0.103 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -85.9 | -50.1 | 178.5 | -61.5 | 162 | 0 | 0 | 0 | 110.6 | Y208 C209 R210 V214 P217 A221 L225 F302 | Y208-I212 WeakPolarHBondContact O-CD1 3.22Å; Y208-I212 VanDerWaalsContact O-CG1 3.3Å; Y208-I212 WeakPolarHBondContact O-CG1 3.3Å; Y208-I212 PolarHBondContact O-N 3.34Å; C209-I212 PolarHBondContact O-N 3.17Å; R210-I212 VanDerWaalsContact C-N 3.34Å; I212-V214 VanDerWaalsContact C-N 3.3Å; I212-V214 PolarHBondContact O-N 3.12Å; I212-P217 WeakPolarHBondContact O-CB 3.47Å; I212-P217 VanDerWaalsContact O-CG 3.31Å; I212-P217 WeakPolarHBondContact O-CG 3.46Å; I212-A221 HydrophobicContact CG1-CB 3.97Å; I212-L225 HydrophobicContact CD1-CB 4.23Å; I212-L225 HydrophobicContact CD1-CD2 3.57Å; I212-F302 HydrophobicContact CB-CE2 3.85Å; I212-F302 HydrophobicContact CB-CZ 4.19Å; I212-F302 HydrophobicContact CD1-CE2 4.5Å; I212-F302 HydrophobicContact CD1-CZ 4.01Å; I212-F302 HydrophobicContact CG2-CE2 3.82Å; I212-F302 HydrophobicContact CG2-CZ 4.06Å |
| 213 | A | 96.4 | Very high | 96.9 | Very high | 6 Ų | 6 | 33.7 Ų | 33.7 | 5% | 0.05 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -86.1 | 61.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | C209 F302 F423 L424 | C209-A213 WeakPolarHBondContact O-CB 3.4Å; C209-A213 PolarHBondContact O-N 3.28Å; A213-F302 HydrophobicContact CB-CD2 3.69Å; A213-F302 HydrophobicContact CB-CE2 4.02Å; A213-F423 HydrophobicContact CB-CD2 3.79Å; A213-F423 HydrophobicContact CB-CE2 3.64Å; A213-F423 WeakPolarHBondContact O-CA 3.38Å; A213-L424 PolarHBondContact O-N 2.91Å |
| 214 | V | 96.1 | Very high | 96.9 | Very high | 2 Ų | 2 | 33.6 Ų | 33.6 | 1% | 0.012 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -135.1 | 173.1 | 170.6 | -74.9 | 0 | 0 | 0 | 0 | 110.9 | P182 Y188 R210 I212 F216 | P182-V214 WeakPolarHBondContact O-CG1 3.37Å; Y188-V214 HydrophobicContact CE2-CG1 4.21Å; R210-V214 WeakPolarHBondContact O-CG1 3.1Å; I212-V214 VanDerWaalsContact C-N 3.3Å; I212-V214 PolarHBondContact O-N 3.12Å; V214-F216 VanDerWaalsContact C-N 3.26Å; V214-F216 PolarHBondContact O-N 3.4Å |
| 215 | K | 94.2 | Very high | 96.9 | Very high | 127 Ų | 127 | 33.3 Ų | 33.3 | 55% | 0.552 | 18% | 0.183 | S | C | * | . | S | Bend | trans | -62.2 | -32.2 | -177.7 | -170.5 | -174.1 | 168.3 | -172.4 | 0 | 112.9 | S183 | S183-K215 PolarHBondContact O-N 3.17Š|
| 216 | F | 94.8 | Very high | 96.8 | Very high | 109 Ų | 109 | 37.9 Ų | 37.9 | 48% | 0.478 | 20% | 0.204 | S | C | . | . | B | Isolated β-bridge | trans | -125.4 | 82.1 | 178.6 | -51.6 | -67.3 | 0 | 0 | 0 | 108.9 | S183 G185 V214 | S183-F216 WeakPolarHBondContact O-CB 3.16Å; S183-F216 WeakPolarHBondContact O-CD2 3.34Å; S183-F216 PolarHBondContact O-N 3.47Å; G185-F216 PolarHBondContact N-O 2.96Å; V214-F216 VanDerWaalsContact C-N 3.26Å; V214-F216 PolarHBondContact O-N 3.4Å |
| 217 | P | 96.6 | Very high | 96.7 | Very high | 68 Ų | 68 | 42.1 Ų | 42.1 | 44% | 0.442 | 22% | 0.223 | S | C | . | . | trans | -60.4 | 147.2 | -178.7 | -22.2 | 33.7 | 0 | 0 | 0 | 112 | S211 I212 P219 | S211-P217 WeakPolarHBondContact O-CA 3.5Å; I212-P217 WeakPolarHBondContact O-CB 3.47Å; I212-P217 VanDerWaalsContact O-CG 3.31Å; I212-P217 WeakPolarHBondContact O-CG 3.46Å; P217-P219 WeakPolarHBondContact O-CD 3.43Å | ||
| 218 | F | 96.1 | Very high | 96.6 | Very high | 58 Ų | 58 | 42.8 Ų | 42.8 | 25% | 0.254 | 23% | 0.232 | S | C | . | . | trans | -90.7 | 112.9 | 172.7 | -171 | -111.6 | 0 | 0 | 0 | 110.6 | Q186 N189 S211 A220 A221 | Q186-F218 HydrophobicContact CB-CD2 3.9Å; Q186-F218 HydrophobicContact CB-CE2 4.28Å; Q186-F218 HydrophobicContact CB-CG 4.41Å; Q186-F218 HydrophobicContact CG-CD2 4.11Å; Q186-F218 HydrophobicContact CG-CE2 3.97Å; Q186-F218 HydrophobicContact CG-CZ 4.48Å; N189-F218 HydrophobicContact CB-CD1 3.55Å; N189-F218 HydrophobicContact CB-CE1 4.02Å; N189-F218 HydrophobicContact CB-CG 4.31Å; N189-F218 VanDerWaalsContact CG-CD1 3.49Å; S211-F218 PolarHBondContact O-N 3.47Å; S211-F218 WeakPolarHBondContact OG-CB 3.37Å; F218-A220 VanDerWaalsContact C-N 3.32Å; F218-A220 HydrophobicContact CD1-CB 4.11Å; F218-A220 HydrophobicContact CE1-CB 3.75Å; F218-A220 PolarHBondContact O-N 2.84Å; F218-A220 VanDerWaalsContact O-N 3.15Å; F218-A221 VanDerWaalsContact O-CB 3.29Å; F218-A221 WeakPolarHBondContact O-CB 3.36Å; F218-A221 PolarHBondContact O-N 3.32Å | ||
| 219 | P | 93.5 | Very high | 96.6 | Very high | 103 Ų | 103 | 42 Ų | 42 | 67% | 0.669 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -59.3 | -34.6 | -165.9 | -28.6 | 36.6 | 0 | 0 | 0 | 115.6 | P217 A221 S222 | P217-P219 WeakPolarHBondContact O-CD 3.43Å; P219-A221 PolarHBondContact O-N 3.23Å; P219-S222 PolarHBondContact O-N 3.28Å |
| 220 | A | 93.8 | Very high | 96.5 | Very high | 39 Ų | 39 | 43.5 Ų | 43.5 | 32% | 0.322 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -67.5 | -22.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | F218 S222 T223 N224 | F218-A220 VanDerWaalsContact C-N 3.32Å; F218-A220 HydrophobicContact CD1-CB 4.11Å; F218-A220 HydrophobicContact CE1-CB 3.75Å; F218-A220 PolarHBondContact O-N 2.84Å; F218-A220 VanDerWaalsContact O-N 3.15Å; A220-S222 VanDerWaalsContact C-N 3.31Å; A220-S222 PolarHBondContact O-N 3.45Å; A220-T223 PolarHBondContact O-N 3.3Å; A220-N224 WeakPolarHBondContact O-CB 3.4Å; A220-N224 PolarHBondContact O-N 2.94Å |
| 221 | A | 97.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.4 | -34.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | N189 Y208 S211 I212 F218 P219 N224 L225 | N189-A221 WeakPolarHBondContact OD1-CA 3.45Å; N189-A221 WeakPolarHBondContact OD1-CB 3.44Å; Y208-A221 HydrophobicContact CD1-CB 4.14Å; S211-A221 VanDerWaalsContact OG-CB 3.22Å; S211-A221 WeakPolarHBondContact OG-CB 3.34Å; I212-A221 HydrophobicContact CG1-CB 3.97Å; F218-A221 VanDerWaalsContact O-CB 3.29Å; F218-A221 WeakPolarHBondContact O-CB 3.36Å; F218-A221 PolarHBondContact O-N 3.32Å; P219-A221 PolarHBondContact O-N 3.23Å; A221-N224 PolarHBondContact O-N 3.42Å; A221-L225 VanDerWaalsContact O-CB 3.26Å; A221-L225 WeakPolarHBondContact O-CB 3.49Å; A221-L225 PolarHBondContact O-N 3.02Å |
| 222 | S | 96.1 | Very high | 96.2 | Very high | 39 Ų | 39 | 50.7 Ų | 50.7 | 27% | 0.273 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -64.5 | -41.5 | 174.1 | -56.2 | 0 | 0 | 0 | 0 | 111.7 | P219 A220 Q226 | P219-S222 PolarHBondContact O-N 3.28Å; A220-S222 VanDerWaalsContact C-N 3.31Å; A220-S222 PolarHBondContact O-N 3.45Å; S222-Q226 VanDerWaalsContact O-CB 3.31Å; S222-Q226 WeakPolarHBondContact O-CB 3.37Å; S222-Q226 PolarHBondContact O-N 2.82Å |
| 223 | T | 96.8 | Very high | 96 | Very high | 67 Ų | 67 | 51.7 Ų | 51.7 | 41% | 0.411 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -67 | -42.7 | 174.9 | -54.4 | 0 | 0 | 0 | 0 | 111.7 | A220 Q226 K227 | A220-T223 PolarHBondContact O-N 3.3Å; T223-Q226 WeakPolarHBondContact O-CB 3.33Å; T223-Q226 PolarHBondContact O-N 3.37Å; T223-K227 WeakPolarHBondContact O-CG 3.4Å; T223-K227 PolarHBondContact O-N 3.41Å |
| 224 | N | 97.4 | Very high | 95.8 | Very high | 21 Ų | 21 | 58.9 Ų | 58.9 | 11% | 0.112 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -70.2 | -36.5 | -179.3 | -71.3 | 0.3 | 0 | 0 | 0 | 111.8 | Y208 A220 A221 K227 A228 | Y208-N224 HydrophobicContact CD1-CB 4.18Å; Y208-N224 HydrophobicContact CE1-CB 3.53Å; Y208-N224 HydrophobicContact CE2-CB 4.26Å; A220-N224 WeakPolarHBondContact O-CB 3.4Å; A220-N224 PolarHBondContact O-N 2.94Å; A221-N224 PolarHBondContact O-N 3.42Å; N224-K227 PolarHBondContact O-N 2.91Å; N224-A228 VanDerWaalsContact O-CB 3.31Å; N224-A228 WeakPolarHBondContact O-CB 3.25Å; N224-A228 PolarHBondContact O-N 2.89Å |
| 225 | L | 98.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61.9 | -47.6 | 168.6 | -176.5 | 59.7 | 0 | 0 | 0 | 111.2 | I205 Y208 I212 A221 K227 A228 L229 Y260 F302 | I205-L225 HydrophobicContact CD1-CD1 3.65Å; I205-L225 HydrophobicContact CG2-CD1 4.09Å; Y208-L225 HydrophobicContact CG-CB 4.45Å; I212-L225 HydrophobicContact CD1-CB 4.23Å; I212-L225 HydrophobicContact CD1-CD2 3.57Å; A221-L225 VanDerWaalsContact O-CB 3.26Å; A221-L225 WeakPolarHBondContact O-CB 3.49Å; A221-L225 PolarHBondContact O-N 3.02Å; L225-K227 VanDerWaalsContact C-N 3.35Å; L225-K227 PolarHBondContact O-N 2.94Å; L225-A228 PolarHBondContact O-N 3.4Å; L225-L229 HydrophobicContact CD1-CD1 3.82Å; L225-L229 HydrophobicContact CD1-CD2 4.4Å; L225-L229 HydrophobicContact CD1-CG 3.87Å; L225-L229 HydrophobicContact CG-CD1 3.84Å; L225-L229 HydrophobicContact CG-CG 4.25Å; L225-L229 WeakPolarHBondContact O-CB 3.41Å; L225-L229 WeakPolarHBondContact O-CG 3.35Å; L225-L229 PolarHBondContact O-N 3.4Å; L225-Y260 HydrophobicContact CD2-CD2 4.37Å; L225-Y260 HydrophobicContact CD2-CE1 4.21Å; L225-Y260 HydrophobicContact CD2-CE2 3.87Å; L225-Y260 HydrophobicContact CG-CE1 4.31Å; L225-F302 HydrophobicContact CD2-CE1 3.93Å; L225-F302 HydrophobicContact CD2-CZ 4.14Å |
| 226 | Q | 97 | Very high | 94.4 | Very high | 102 Ų | 102 | 66 Ų | 66 | 48% | 0.477 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -58.9 | -42.6 | 177.4 | -175.5 | -177.8 | 8.1 | 0 | 0 | 112.4 | S222 T223 S230 L261 | S222-Q226 VanDerWaalsContact O-CB 3.31Å; S222-Q226 WeakPolarHBondContact O-CB 3.37Å; S222-Q226 PolarHBondContact O-N 2.82Å; T223-Q226 WeakPolarHBondContact O-CB 3.33Å; T223-Q226 PolarHBondContact O-N 3.37Å; Q226-S230 VanDerWaalsContact O-CB 3.28Å; Q226-S230 WeakPolarHBondContact O-CB 3.2Å; Q226-S230 PolarHBondContact O-N 2.84Å; Q226-S230 PolarHBondContact O-OG 2.91Å; Q226-L261 HydrophobicContact CB-CD2 4.49Å; Q226-L261 HydrophobicContact CG-CD2 3.79Å |
| 227 | K | 97.1 | Very high | 93.5 | Very high | 90 Ų | 90 | 64.9 Ų | 64.9 | 39% | 0.391 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62.1 | -50 | 173.2 | -74.8 | -175.3 | -179 | -173.8 | 0 | 111.1 | T223 N224 L225 S230 K231 D934 | T223-K227 WeakPolarHBondContact O-CG 3.4Å; T223-K227 PolarHBondContact O-N 3.41Å; N224-K227 PolarHBondContact O-N 2.91Å; L225-K227 VanDerWaalsContact C-N 3.35Å; L225-K227 PolarHBondContact O-N 2.94Å; K227-S230 PolarHBondContact O-N 3.36Å; K227-K231 WeakPolarHBondContact O-CB 3.34Å; K227-K231 PolarHBondContact O-N 2.81Å; K227-D934 WeakPolarHBondContact CE-OD2 3.33Å; K227-D934 PolarHBondContact NZ-O 2.76Å; K227-D934 IonicContact NZ-OD1 2.82Å; K227-D934 IonicContact NZ-OD2 2.74Å; K227-D934 PolarHBondContact NZ-OD2 3.13Å |
| 228 | A | 97 | Very high | 92.1 | Very high | 31 Ų | 31 | 66 Ų | 66 | 26% | 0.256 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62 | -44.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | I205 N224 L225 K231 A232 | I205-A228 HydrophobicContact CD1-CB 4.02Å; N224-A228 VanDerWaalsContact O-CB 3.31Å; N224-A228 WeakPolarHBondContact O-CB 3.25Å; N224-A228 PolarHBondContact O-N 2.89Å; L225-A228 PolarHBondContact O-N 3.4Å; A228-K231 PolarHBondContact O-N 3.45Å; A228-A232 PolarHBondContact O-N 2.99Å |
| 229 | L | 97.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -68.4 | -39.6 | 177.1 | -67.7 | -179.6 | 0 | 0 | 0 | 112.1 | I205 L225 K231 A232 L233 I253 Y260 L261 | I205-L229 HydrophobicContact CD1-CD2 3.9Å; I205-L229 HydrophobicContact CD1-CG 4.39Å; L225-L229 HydrophobicContact CD1-CD1 3.82Å; L225-L229 HydrophobicContact CD1-CD2 4.4Å; L225-L229 HydrophobicContact CD1-CG 3.87Å; L225-L229 HydrophobicContact CG-CD1 3.84Å; L225-L229 HydrophobicContact CG-CG 4.25Å; L225-L229 WeakPolarHBondContact O-CB 3.41Å; L225-L229 WeakPolarHBondContact O-CG 3.35Å; L225-L229 PolarHBondContact O-N 3.4Å; L229-K231 PolarHBondContact O-N 3.34Å; L229-A232 WeakPolarHBondContact O-CB 3.32Å; L229-A232 PolarHBondContact O-N 3Å; L229-A232 VanDerWaalsContact O-N 3.14Å; L229-L233 PolarHBondContact O-N 3.32Å; L229-I253 HydrophobicContact CD2-CG2 3.8Å; L229-Y260 HydrophobicContact CD1-CD1 3.64Å; L229-Y260 HydrophobicContact CD1-CE1 4.43Å; L229-Y260 HydrophobicContact CD1-CG 3.82Å; L229-L261 HydrophobicContact CB-CD1 4.06Å; L229-L261 HydrophobicContact CB-CG 4.43Å |
| 230 | S | 97.1 | Very high | 90.7 | Very high | 31 Ų | 31 | 69.3 Ų | 69.3 | 22% | 0.217 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -61.5 | -45.1 | 175.4 | -59.9 | 0 | 0 | 0 | 0 | 111.2 | Q226 K227 A232 L233 E234 L261 | Q226-S230 VanDerWaalsContact O-CB 3.28Å; Q226-S230 WeakPolarHBondContact O-CB 3.2Å; Q226-S230 PolarHBondContact O-N 2.84Å; Q226-S230 PolarHBondContact O-OG 2.91Å; K227-S230 PolarHBondContact O-N 3.36Å; S230-A232 VanDerWaalsContact C-N 3.27Å; S230-A232 PolarHBondContact O-N 2.84Å; S230-L233 PolarHBondContact O-N 3.48Å; S230-L233 VanDerWaalsContact O-N 3.12Å; S230-E234 PolarHBondContact O-N 3.2Å; S230-E234 VanDerWaalsContact O-N 3.13Å; S230-L261 WeakPolarHBondContact OG-CD1 3.31Å |
| 231 | K | 95.3 | Very high | 90.2 | Very high | 132 Ų | 132 | 73 Ų | 73 | 57% | 0.574 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -62.9 | -30.3 | 174.4 | -174 | 172.7 | -177.7 | 171.8 | 0 | 113 | K227 A228 L229 | K227-K231 WeakPolarHBondContact O-CB 3.34Å; K227-K231 PolarHBondContact O-N 2.81Å; A228-K231 PolarHBondContact O-N 3.45Å; L229-K231 PolarHBondContact O-N 3.34Å |
| 232 | A | 94.4 | Very high | 89.9 | Confident | 19 Ų | 19 | 77 Ų | 77 | 16% | 0.157 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -70 | -39.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | A228 L229 S230 E234 S235 I253 R254 | A228-A232 PolarHBondContact O-N 2.99Å; L229-A232 WeakPolarHBondContact O-CB 3.32Å; L229-A232 PolarHBondContact O-N 3Å; L229-A232 VanDerWaalsContact O-N 3.14Å; S230-A232 VanDerWaalsContact C-N 3.27Å; S230-A232 PolarHBondContact O-N 2.84Å; A232-E234 VanDerWaalsContact C-N 3.28Å; A232-E234 PolarHBondContact O-N 3.04Å; A232-S235 WeakPolarHBondContact O-CB 3.19Å; A232-S235 PolarHBondContact O-N 3.13Å; A232-S235 PolarHBondContact O-OG 2.71Å; A232-I253 HydrophobicContact CB-CG2 3.79Å; A232-R254 HydrophobicContact CB-CG 4.4Å; A232-R254 WeakPolarHBondContact O-CG 3.45Å |
| 233 | L | 94.6 | Very high | 89.8 | Confident | 42 Ų | 42 | 76.1 Ų | 76.1 | 22% | 0.22 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -69.2 | -22 | 175.6 | -64.3 | -167.3 | 0 | 0 | 0 | 113.9 | L229 S230 S235 R254 L261 K263 | L229-L233 PolarHBondContact O-N 3.32Å; S230-L233 PolarHBondContact O-N 3.48Å; S230-L233 VanDerWaalsContact O-N 3.12Å; L233-S235 VanDerWaalsContact C-N 3.27Å; L233-R254 HydrophobicContact CD2-CB 4.24Å; L233-R254 HydrophobicContact CD2-CG 4.23Å; L233-R254 WeakPolarHBondContact CD2-O 3.38Å; L233-L261 HydrophobicContact CD1-CD1 3.94Å; L233-K263 HydrophobicContact CD1-CB 4.26Å; L233-K263 HydrophobicContact CD1-CD 4.42Å |
| 234 | E | 90.8 | Very high | 89.7 | Confident | 156 Ų | 156 | 75.5 Ų | 75.5 | 73% | 0.729 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -17.6 | 171.9 | -71.3 | 169.6 | -171.9 | 0 | 0 | 113.2 | S230 A232 | S230-E234 PolarHBondContact O-N 3.2Å; S230-E234 VanDerWaalsContact O-N 3.13Å; A232-E234 VanDerWaalsContact C-N 3.28Å; A232-E234 PolarHBondContact O-N 3.04Å |
| 235 | S | 84.2 | Confident | 89.6 | Confident | 55 Ų | 55 | 76.2 Ų | 76.2 | 39% | 0.385 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -70.8 | 138.8 | 175.4 | 74.4 | 0 | 0 | 0 | 0 | 111.2 | A232 L233 | A232-S235 WeakPolarHBondContact O-CB 3.19Å; A232-S235 PolarHBondContact O-N 3.13Å; A232-S235 PolarHBondContact O-OG 2.71Å; L233-S235 VanDerWaalsContact C-N 3.27Å |
| 236 | R | 77.3 | Confident | 89.5 | Confident | 224 Ų | 224 | 78.9 Ų | 78.9 | 85% | 0.845 | 41% | 0.409 | S | S | * | . | trans | -70.7 | 149 | -176.9 | -70.7 | -171.6 | 174.8 | -155.1 | -1.9 | 111.6 | D238 | R236-D238 PolarHBondContact O-N 2.75Š| ||
| 237 | D | 75.2 | Confident | 89.4 | Confident | 85 Ų | 85 | 75.1 Ų | 75.1 | 46% | 0.455 | 39% | 0.392 | S | S | . | . | trans | -69.6 | 92.2 | 172 | -61.9 | -46.9 | 0 | 0 | 0 | 110.4 | V239 R254 K267 | D237-V239 PolarHBondContact O-N 3.33Å; D237-R254 IonicContact OD1-NH1 3.01Å; D237-R254 PolarHBondContact OD1-NH1 3.35Å; D237-K267 IonicContact OD1-NZ 3.13Å; D237-K267 IonicContact OD2-NZ 3.33Å; D237-K267 PolarHBondContact OD2-NZ 3.42Å | ||
| 238 | D | 68.6 | Low | 89.4 | Confident | 93 Ų | 93 | 70.9 Ų | 70.9 | 50% | 0.497 | 37% | 0.374 | S | S | . | . | trans | -61.4 | 117.1 | 172.5 | -93.2 | -8.5 | 0 | 0 | 0 | 110.5 | R236 K240 | R236-D238 PolarHBondContact O-N 2.75Å; D238-K240 HydrophobicContact CB-CD 4.01Å; D238-K240 HydrophobicContact CB-CG 4.2Å; D238-K240 PolarHBondContact O-N 2.95Å; D238-K240 VanDerWaalsContact OD2-CE 3.3Å; D238-K240 WeakPolarHBondContact OD2-CE 3.36Å; D238-K240 IonicContact OD2-NZ 3.02Å; D238-K240 PolarHBondContact OD2-NZ 2.72Å | ||
| 239 | V | 75.3 | Confident | 89.4 | Confident | 147 Ų | 147 | 70.2 Ų | 70.2 | 89% | 0.891 | 37% | 0.366 | S | S | * | . | trans | -77.9 | 49.1 | 179.3 | -162.1 | 0 | 0 | 0 | 0 | 111.4 | D237 | D237-V239 PolarHBondContact O-N 3.33Š| ||
| 240 | K | 83.3 | Confident | 89.3 | Confident | 83 Ų | 83 | 74.5 Ų | 74.5 | 36% | 0.361 | 38% | 0.384 | S | S | . | . | trans | -85.1 | 123.7 | 174.9 | -71.2 | 166.3 | 176.5 | 156.9 | 0 | 109.2 | D238 W243 D247 | D238-K240 HydrophobicContact CB-CD 4.01Å; D238-K240 HydrophobicContact CB-CG 4.2Å; D238-K240 PolarHBondContact O-N 2.95Å; D238-K240 VanDerWaalsContact OD2-CE 3.3Å; D238-K240 WeakPolarHBondContact OD2-CE 3.36Å; D238-K240 IonicContact OD2-NZ 3.02Å; D238-K240 PolarHBondContact OD2-NZ 2.72Å; K240-W243 PolarHBondContact O-NE1 2.64Å; K240-D247 IonicContact NZ-OD1 3.5Å; K240-D247 PolarHBondContact NZ-OD1 3.31Å; K240-D247 IonicContact NZ-OD2 3.77Å | ||
| 241 | T | 84.3 | Confident | 89.3 | Confident | 115 Ų | 115 | 73 Ų | 73 | 71% | 0.706 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -78.1 | -29.4 | 175.5 | 49.7 | 0 | 0 | 0 | 0 | 113.1 | K274 Q278 | T241-K274 WeakPolarHBondContact O-CE 3.48Å; T241-K274 PolarHBondContact O-NZ 3.37Å; T241-Q278 PolarHBondContact O-NE2 3.19Å |
| 242 | K | 90.3 | Very high | 89.5 | Confident | 85 Ų | 85 | 66.7 Ų | 66.7 | 37% | 0.37 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -123 | 124.6 | 177.6 | -176.8 | 176.7 | 174.4 | 178.2 | 0 | 108.7 | E501 | K242-E501 IonicContact NZ-OE1 2.65Å; K242-E501 PolarHBondContact NZ-OE1 3.19Å; K242-E501 IonicContact NZ-OE2 3.89Å; K242-E501 PolarHBondContact NZ-OE2 2.86Å |
| 243 | W | 94.1 | Very high | 89.6 | Confident | 21 Ų | 21 | 66.3 Ų | 66.3 | 8% | 0.08 | 34% | 0.342 | C | S | . | . | trans | -102.8 | 142.3 | -172.7 | -70 | -2.8 | 0 | 0 | 0 | 112.5 | K240 D247 F248 A251 L271 K274 L275 Q278 R281 | K240-W243 PolarHBondContact O-NE1 2.64Å; W243-D247 HydrophobicContact CB-CB 3.77Å; W243-D247 HydrophobicContact CG-CB 3.92Å; W243-F248 HydrophobicContact CE3-CB 4.27Å; W243-F248 HydrophobicContact CE3-CD2 4.28Å; W243-A251 HydrophobicContact CE3-CB 4.01Å; W243-A251 HydrophobicContact CH2-CB 3.4Å; W243-A251 HydrophobicContact CZ2-CB 4.2Å; W243-A251 HydrophobicContact CZ3-CB 3.29Å; W243-L271 HydrophobicContact CH2-CD1 4.38Å; W243-K274 HydrophobicContact CH2-CB 4Å; W243-K274 HydrophobicContact CH2-CG 3.51Å; W243-K274 HydrophobicContact CZ2-CB 4.35Å; W243-K274 HydrophobicContact CZ2-CG 3.44Å; W243-K274 VanDerWaalsContact CZ2-CG 3.44Å; W243-K274 HydrophobicContact CZ3-CG 4.28Å; W243-L275 HydrophobicContact CZ3-CD2 3.95Å; W243-L275 HydrophobicContact CZ3-CG 4.25Å; W243-Q278 HydrophobicContact CB-CG 4.36Å; W243-Q278 HydrophobicContact CD2-CB 4.2Å; W243-Q278 HydrophobicContact CD2-CG 3.81Å; W243-Q278 HydrophobicContact CE3-CB 3.67Å; W243-Q278 HydrophobicContact CE3-CG 3.72Å; W243-Q278 HydrophobicContact CG-CG 4.09Å; W243-Q278 HydrophobicContact CZ3-CB 4.23Å; W243-Q278 HydrophobicContact CZ3-CG 4.27Å; W243-R281 PolarHBondContact O-NH2 3.36Å | ||
| 244 | S | 95.1 | Very high | 89.7 | Confident | 53 Ų | 53 | 65.3 Ų | 65.3 | 37% | 0.371 | 34% | 0.335 | S | S | . | . | trans | -72.8 | 170.1 | 159.6 | 67.3 | 0 | 0 | 0 | 0 | 110.7 | S246 D247 F248 | S244-S246 PolarHBondContact O-N 2.85Å; S244-S246 PolarHBondContact OG-N 3.38Å; S244-D247 WeakPolarHBondContact CB-OD2 3.46Å; S244-D247 PolarHBondContact N-OD2 2.84Å; S244-D247 PolarHBondContact O-N 3.47Å; S244-D247 VanDerWaalsContact O-N 3.17Å; S244-D247 PolarHBondContact OG-N 3.37Å; S244-D247 PolarHBondContact OG-OD2 2.86Å; S244-F248 PolarHBondContact O-N 3Å | ||
| 245 | V | 95.7 | Very high | 90.1 | Very high | 37 Ų | 37 | 57.9 Ų | 57.9 | 22% | 0.224 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -56.7 | -35.9 | 169.2 | 176.2 | 0 | 0 | 0 | 0 | 111 | I249 L282 A287 F288 | V245-I249 HydrophobicContact CG1-CD1 3.82Å; V245-I249 HydrophobicContact CG1-CG1 4.5Å; V245-I249 WeakPolarHBondContact O-CB 3.48Å; V245-I249 VanDerWaalsContact O-CG1 3.27Å; V245-I249 WeakPolarHBondContact O-CG1 3.47Å; V245-I249 PolarHBondContact O-N 2.88Å; V245-L282 HydrophobicContact CG2-CD2 4.24Å; V245-A287 HydrophobicContact CG2-CB 3.77Å; V245-A287 WeakPolarHBondContact CG2-O 3.37Å; V245-F288 HydrophobicContact CG1-CD1 4.17Å; V245-F288 HydrophobicContact CG1-CE1 3.93Å |
| 246 | S | 94.9 | Very high | 90.7 | Very high | 56 Ų | 56 | 55.3 Ų | 55.3 | 39% | 0.392 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -66 | -43.8 | 175.1 | -171.3 | 0 | 0 | 0 | 0 | 112.6 | S244 I249 K250 | S244-S246 PolarHBondContact O-N 2.85Å; S244-S246 PolarHBondContact OG-N 3.38Å; S246-I249 PolarHBondContact O-N 2.8Å; S246-K250 WeakPolarHBondContact O-CB 3.39Å; S246-K250 WeakPolarHBondContact O-CD 3.36Å; S246-K250 VanDerWaalsContact O-CG 3.26Å; S246-K250 WeakPolarHBondContact O-CG 3.46Å; S246-K250 PolarHBondContact O-N 3.35Å; S246-K250 WeakPolarHBondContact OG-CE 3.39Å; S246-K250 PolarHBondContact OG-NZ 2.87Å |
| 247 | D | 95.3 | Very high | 91.7 | Very high | 23 Ų | 23 | 44.6 Ų | 44.6 | 12% | 0.123 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -66.3 | -40.6 | 178.1 | -58.9 | -58.4 | 0 | 0 | 0 | 111.2 | K240 W243 S244 K250 A251 | K240-D247 IonicContact NZ-OD1 3.5Å; K240-D247 PolarHBondContact NZ-OD1 3.31Å; K240-D247 IonicContact NZ-OD2 3.77Å; W243-D247 HydrophobicContact CB-CB 3.77Å; W243-D247 HydrophobicContact CG-CB 3.92Å; S244-D247 WeakPolarHBondContact CB-OD2 3.46Å; S244-D247 PolarHBondContact N-OD2 2.84Å; S244-D247 PolarHBondContact O-N 3.47Å; S244-D247 VanDerWaalsContact O-N 3.17Å; S244-D247 PolarHBondContact OG-N 3.37Å; S244-D247 PolarHBondContact OG-OD2 2.86Å; D247-K250 PolarHBondContact O-N 3.21Å; D247-A251 WeakPolarHBondContact O-CB 3.3Å; D247-A251 PolarHBondContact O-N 2.91Å |
| 248 | F | 97.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.7 | -49.6 | 173.4 | 174.8 | -90.1 | 0 | 0 | 0 | 111.7 | W243 S244 K250 A251 F252 L275 Q278 F279 L282 F288 I296 F336 | W243-F248 HydrophobicContact CE3-CB 4.27Å; W243-F248 HydrophobicContact CE3-CD2 4.28Å; S244-F248 PolarHBondContact O-N 3Å; F248-K250 VanDerWaalsContact C-N 3.28Å; F248-K250 PolarHBondContact O-N 2.85Å; F248-A251 WeakPolarHBondContact O-CB 3.27Å; F248-A251 PolarHBondContact O-N 3.03Å; F248-F252 HydrophobicContact CE1-CB 4.33Å; F248-F252 WeakPolarHBondContact O-CB 3.23Å; F248-F252 PolarHBondContact O-N 2.91Å; F248-L275 HydrophobicContact CD2-CD2 3.77Å; F248-L275 HydrophobicContact CE2-CD2 3.46Å; F248-L275 VanDerWaalsContact CE2-CD2 3.46Å; F248-L275 HydrophobicContact CZ-CD2 4.06Å; F248-Q278 HydrophobicContact CD2-CB 4.43Å; F248-F279 HydrophobicContact CE1-CD2 4.16Å; F248-F279 HydrophobicContact CE2-CB 3.72Å; F248-F279 HydrophobicContact CE2-CD2 4.01Å; F248-F279 HydrophobicContact CE2-CG 4.3Å; F248-F279 HydrophobicContact CZ-CB 4.07Å; F248-F279 AromaticContact CZ-CD2 3.52Å; F248-F279 HydrophobicContact CZ-CD2 3.52Å; F248-F279 HydrophobicContact CZ-CE2 4.34Å; F248-F279 HydrophobicContact CZ-CG 4.16Å; F248-L282 HydrophobicContact CB-CD1 3.67Å; F248-L282 HydrophobicContact CD2-CD1 4.33Å; F248-L282 HydrophobicContact CG-CD1 4.02Å; F248-F288 AromaticContact CD1-CE1 3.76Å; F248-F288 HydrophobicContact CD1-CE1 3.76Å; F248-F288 AromaticContact CD1-CZ 3.48Å; F248-F288 HydrophobicContact CD1-CZ 3.48Å; F248-F288 VanDerWaalsContact CD1-CZ 3.48Å; F248-F288 HydrophobicContact CE1-CE1 4.01Å; F248-F288 AromaticContact CE1-CZ 3.65Å; F248-F288 HydrophobicContact CE1-CZ 3.65Å; F248-F288 HydrophobicContact CG-CZ 4.02Å; F248-F288 HydrophobicContact CZ-CZ 4.31Å; F248-I296 HydrophobicContact CE1-CD1 3.93Å; F248-F336 HydrophobicContact CE2-CZ 4.08Å; F248-F336 HydrophobicContact CZ-CE2 4.03Å; F248-F336 AromaticContact CZ-CZ 3.7Å; F248-F336 HydrophobicContact CZ-CZ 3.7Å |
| 249 | I | 97.6 | Very high | 94 | Very high | 18 Ų | 18 | 36.6 Ų | 36.6 | 9% | 0.092 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.2 | -40.2 | 177.4 | -72.5 | 167.1 | 0 | 0 | 0 | 110.8 | H201 L202 V245 S246 A251 F252 I253 | H201-I249 HydrophobicContact CB-CG2 4.44Å; L202-I249 HydrophobicContact CB-CD1 4.11Å; L202-I249 HydrophobicContact CB-CG1 4.38Å; L202-I249 HydrophobicContact CB-CG2 3.97Å; L202-I249 HydrophobicContact CD2-CD1 4.16Å; L202-I249 HydrophobicContact CD2-CG1 4.39Å; V245-I249 HydrophobicContact CG1-CD1 3.82Å; V245-I249 HydrophobicContact CG1-CG1 4.5Å; V245-I249 WeakPolarHBondContact O-CB 3.48Å; V245-I249 VanDerWaalsContact O-CG1 3.27Å; V245-I249 WeakPolarHBondContact O-CG1 3.47Å; V245-I249 PolarHBondContact O-N 2.88Å; S246-I249 PolarHBondContact O-N 2.8Å; I249-A251 PolarHBondContact O-N 3.29Å; I249-F252 PolarHBondContact O-N 2.89Å; I249-I253 HydrophobicContact CG2-CD1 3.65Å; I249-I253 HydrophobicContact CG2-CG1 4.37Å; I249-I253 WeakPolarHBondContact O-CB 3.24Å; I249-I253 VanDerWaalsContact O-CG1 3.24Å; I249-I253 WeakPolarHBondContact O-CG1 3.36Å; I249-I253 PolarHBondContact O-N 2.93Å |
| 250 | K | 96.1 | Very high | 95 | Very high | 89 Ų | 89 | 31.7 Ų | 31.7 | 39% | 0.387 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -67.3 | -31.3 | 175 | -71.6 | 161.8 | -179.1 | 155.5 | 0 | 113.4 | S246 D247 F248 R254 | S246-K250 WeakPolarHBondContact O-CB 3.39Å; S246-K250 WeakPolarHBondContact O-CD 3.36Å; S246-K250 VanDerWaalsContact O-CG 3.26Å; S246-K250 WeakPolarHBondContact O-CG 3.46Å; S246-K250 PolarHBondContact O-N 3.35Å; S246-K250 WeakPolarHBondContact OG-CE 3.39Å; S246-K250 PolarHBondContact OG-NZ 2.87Å; D247-K250 PolarHBondContact O-N 3.21Å; F248-K250 VanDerWaalsContact C-N 3.28Å; F248-K250 PolarHBondContact O-N 2.85Å; K250-R254 WeakPolarHBondContact O-CG 3.46Å; K250-R254 PolarHBondContact O-N 3.46Å; K250-R254 PolarHBondContact O-NE 3Å |
| 251 | A | 96.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -74.3 | -42 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112 | W243 D247 F248 I249 R254 F255 L271 L275 | W243-A251 HydrophobicContact CE3-CB 4.01Å; W243-A251 HydrophobicContact CH2-CB 3.4Å; W243-A251 HydrophobicContact CZ2-CB 4.2Å; W243-A251 HydrophobicContact CZ3-CB 3.29Å; D247-A251 WeakPolarHBondContact O-CB 3.3Å; D247-A251 PolarHBondContact O-N 2.91Å; F248-A251 WeakPolarHBondContact O-CB 3.27Å; F248-A251 PolarHBondContact O-N 3.03Å; I249-A251 PolarHBondContact O-N 3.29Å; A251-R254 WeakPolarHBondContact O-CB 3.48Å; A251-R254 PolarHBondContact O-N 3.08Å; A251-F255 PolarHBondContact O-N 2.94Å; A251-L271 HydrophobicContact CB-CD1 4.17Å; A251-L275 HydrophobicContact CB-CD2 3.89Å; A251-L275 HydrophobicContact CB-CG 4.41Å |
| 252 | F | 98.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62.3 | -47.1 | 177.6 | 179.4 | -108.5 | 0 | 0 | 0 | 111.3 | L202 F248 I249 R254 F255 H256 L275 I296 I299 F336 | L202-F252 HydrophobicContact CD1-CD1 4.18Å; L202-F252 HydrophobicContact CD1-CE1 4.04Å; F248-F252 HydrophobicContact CE1-CB 4.33Å; F248-F252 WeakPolarHBondContact O-CB 3.23Å; F248-F252 PolarHBondContact O-N 2.91Å; I249-F252 PolarHBondContact O-N 2.89Å; F252-R254 VanDerWaalsContact C-N 3.3Å; F252-R254 PolarHBondContact O-N 2.82Å; F252-F255 WeakPolarHBondContact O-CB 3.35Å; F252-F255 PolarHBondContact O-N 3.36Å; F252-H256 AromaticContact CD1-CD2 3.98Å; F252-H256 AromaticContact CD2-CD2 3.98Å; F252-H256 AromaticContact CD2-NE2 3.78Å; F252-H256 AromaticContact CE1-CD2 3.69Å; F252-H256 AromaticContact CE1-NE2 3.69Å; F252-H256 AromaticContact CE2-CD2 3.7Å; F252-H256 AromaticContact CE2-NE2 3.08Å; F252-H256 WeakPolarHBondContact CE2-NE2 3.49Å; F252-H256 AromaticContact CZ-CD2 3.54Å; F252-H256 AromaticContact CZ-NE2 3.03Å; F252-H256 WeakPolarHBondContact CZ-NE2 3.03Å; F252-H256 PolarHBondContact O-CD2 3Å; F252-H256 PolarHBondContact O-N 3.31Å; F252-H256 VanDerWaalsContact O-N 3.09Å; F252-L275 HydrophobicContact CB-CD2 4Å; F252-I296 HydrophobicContact CD1-CG1 4.43Å; F252-I296 HydrophobicContact CE1-CB 4.34Å; F252-I296 HydrophobicContact CE1-CG1 4.01Å; F252-I296 HydrophobicContact CE1-CG2 4.41Å; F252-I296 HydrophobicContact CE2-CG2 3.88Å; F252-I296 HydrophobicContact CZ-CB 4.07Å; F252-I296 HydrophobicContact CZ-CG1 4.19Å; F252-I296 HydrophobicContact CZ-CG2 3.74Å; F252-I296 WeakPolarHBondContact CZ-O 3.5Å; F252-I299 HydrophobicContact CE1-CB 4.18Å; F252-I299 HydrophobicContact CE1-CD1 3.99Å; F252-I299 HydrophobicContact CE1-CG2 4.19Å; F252-I299 HydrophobicContact CZ-CB 4.19Å; F252-I299 HydrophobicContact CZ-CG2 4.27Å; F252-F336 HydrophobicContact CD2-CE2 4.04Å; F252-F336 HydrophobicContact CD2-CZ 4.44Å; F252-F336 AromaticContact CE2-CE2 3.86Å; F252-F336 HydrophobicContact CE2-CE2 3.86Å |
| 253 | I | 98 | Very high | 96 | Very high | 11 Ų | 11 | 27.4 Ų | 27.4 | 6% | 0.056 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -65.9 | -31.2 | 175.4 | -65.1 | 171.5 | 0 | 0 | 0 | 111.7 | H201 I205 L229 A232 I249 G257 | H201-I253 HydrophobicContact CB-CD1 3.67Å; I205-I253 HydrophobicContact CD1-CG2 4.27Å; I205-I253 HydrophobicContact CG1-CD1 3.91Å; I205-I253 HydrophobicContact CG1-CG1 4.07Å; I205-I253 HydrophobicContact CG1-CG2 4.07Å; L229-I253 HydrophobicContact CD2-CG2 3.8Å; A232-I253 HydrophobicContact CB-CG2 3.79Å; I249-I253 HydrophobicContact CG2-CD1 3.65Å; I249-I253 HydrophobicContact CG2-CG1 4.37Å; I249-I253 WeakPolarHBondContact O-CB 3.24Å; I249-I253 VanDerWaalsContact O-CG1 3.24Å; I249-I253 WeakPolarHBondContact O-CG1 3.36Å; I249-I253 PolarHBondContact O-N 2.93Å; I253-G257 PolarHBondContact O-N 2.88Å |
| 254 | R | 96.4 | Very high | 95.9 | Very high | 21 Ų | 21 | 29.4 Ų | 29.4 | 8% | 0.079 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -68.7 | -40.1 | 171 | -82.5 | -179.8 | -67.8 | 147.5 | 1.2 | 112.5 | A232 L233 D237 K250 A251 F252 G257 H258 L271 | A232-R254 HydrophobicContact CB-CG 4.4Å; A232-R254 WeakPolarHBondContact O-CG 3.45Å; L233-R254 HydrophobicContact CD2-CB 4.24Å; L233-R254 HydrophobicContact CD2-CG 4.23Å; L233-R254 WeakPolarHBondContact CD2-O 3.38Å; D237-R254 IonicContact OD1-NH1 3.01Å; D237-R254 PolarHBondContact OD1-NH1 3.35Å; K250-R254 WeakPolarHBondContact O-CG 3.46Å; K250-R254 PolarHBondContact O-N 3.46Å; K250-R254 PolarHBondContact O-NE 3Å; A251-R254 WeakPolarHBondContact O-CB 3.48Å; A251-R254 PolarHBondContact O-N 3.08Å; F252-R254 VanDerWaalsContact C-N 3.3Å; F252-R254 PolarHBondContact O-N 2.82Å; R254-G257 CarbonylContact O-C 3.57Å; R254-G257 WeakPolarHBondContact O-CA 3.38Å; R254-G257 PolarHBondContact O-N 3.19Å; R254-G257 VanDerWaalsContact O-N 3.16Å; R254-H258 PolarHBondContact O-CD2 2.97Å; R254-H258 PolarHBondContact O-N 2.81Å; R254-L271 HydrophobicContact CB-CD2 4.4Å |
| 255 | F | 97.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -59 | -50 | 176.1 | -179.5 | -86.6 | 0 | 0 | 0 | 111.1 | A251 F252 G257 H258 V259 L268 L271 R272 L275 Q328 L329 L332 | A251-F255 PolarHBondContact O-N 2.94Å; F252-F255 WeakPolarHBondContact O-CB 3.35Å; F252-F255 PolarHBondContact O-N 3.36Å; F255-G257 VanDerWaalsContact C-N 3.32Å; F255-G257 PolarHBondContact O-N 2.83Å; F255-H258 WeakPolarHBondContact O-CB 3.46Å; F255-H258 PolarHBondContact O-N 2.87Å; F255-H258 VanDerWaalsContact O-N 3.13Å; F255-V259 HydrophobicContact CD1-CG2 4.42Å; F255-V259 HydrophobicContact CE1-CG2 4.07Å; F255-V259 HydrophobicContact CZ-CG2 4.48Å; F255-V259 PolarHBondContact O-N 3.36Å; F255-L268 HydrophobicContact CD2-CD2 3.68Å; F255-L268 HydrophobicContact CE2-CB 4.28Å; F255-L268 HydrophobicContact CE2-CD2 3.66Å; F255-L268 HydrophobicContact CG-CD2 4.21Å; F255-L268 HydrophobicContact CZ-CD2 4.17Å; F255-L271 HydrophobicContact CB-CD2 3.8Å; F255-L271 HydrophobicContact CB-CG 4.23Å; F255-L271 HydrophobicContact CD2-CB 4.47Å; F255-L271 HydrophobicContact CD2-CD2 4.27Å; F255-L271 HydrophobicContact CD2-CG 4.21Å; F255-R272 HydrophobicContact CE2-CB 3.93Å; F255-R272 HydrophobicContact CE2-CG 4.35Å; F255-L275 HydrophobicContact CB-CD1 3.64Å; F255-L275 HydrophobicContact CD2-CD1 4.09Å; F255-L275 HydrophobicContact CG-CD1 3.96Å; F255-Q328 HydrophobicContact CE2-CB 4.5Å; F255-Q328 HydrophobicContact CZ-CB 4.14Å; F255-L329 HydrophobicContact CE1-CB 4.3Å; F255-L329 HydrophobicContact CE1-CD1 3.9Å; F255-L332 HydrophobicContact CD1-CD2 3.6Å; F255-L332 HydrophobicContact CD2-CD2 4.48Å; F255-L332 HydrophobicContact CE1-CB 4.35Å; F255-L332 HydrophobicContact CE1-CD2 3.51Å; F255-L332 HydrophobicContact CE2-CD2 4.4Å; F255-L332 HydrophobicContact CG-CD2 4.12Å; F255-L332 HydrophobicContact CZ-CB 4.2Å; F255-L332 HydrophobicContact CZ-CD2 3.93Å |
| 256 | H | 98.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.6 | -39.3 | 172.2 | -73.6 | -53.5 | 0 | 0 | 0 | 112.7 | F252 H258 V259 Y260 N300 E303 | F252-H256 AromaticContact CD1-CD2 3.98Å; F252-H256 AromaticContact CD2-CD2 3.98Å; F252-H256 AromaticContact CD2-NE2 3.78Å; F252-H256 AromaticContact CE1-CD2 3.69Å; F252-H256 AromaticContact CE1-NE2 3.69Å; F252-H256 AromaticContact CE2-CD2 3.7Å; F252-H256 AromaticContact CE2-NE2 3.08Å; F252-H256 WeakPolarHBondContact CE2-NE2 3.49Å; F252-H256 AromaticContact CZ-CD2 3.54Å; F252-H256 AromaticContact CZ-NE2 3.03Å; F252-H256 WeakPolarHBondContact CZ-NE2 3.03Å; F252-H256 PolarHBondContact O-CD2 3Å; F252-H256 PolarHBondContact O-N 3.31Å; F252-H256 VanDerWaalsContact O-N 3.09Å; H256-H258 VanDerWaalsContact C-N 3.32Å; H256-H258 PolarHBondContact O-N 3.18Å; H256-V259 PolarHBondContact O-N 3.46Å; H256-Y260 VanDerWaalsContact O-CB 3.29Å; H256-Y260 WeakPolarHBondContact O-CB 3.08Å; H256-Y260 PolarHBondContact O-N 2.95Å; H256-N300 PolarHBondContact CE1-OD1 3.33Å; H256-N300 VanDerWaalsContact CE1-OD1 3.23Å; H256-N300 PolarHBondContact NE2-OD1 3.06Å; H256-E303 VanDerWaalsContact CB-OE1 3.27Å; H256-E303 WeakPolarHBondContact CB-OE1 3.48Å; H256-E303 IonicContact CE1-OE2 3.61Å; H256-E303 IonicContact CG-OE1 2.65Å; H256-E303 IonicContact CG-OE2 3.77Å; H256-E303 IonicContact ND1-OE1 2.68Å; H256-E303 PolarHBondContact ND1-OE1 2.92Å; H256-E303 IonicContact ND1-OE2 2.72Å; H256-E303 PolarHBondContact ND1-OE2 2.8Å |
| 257 | G | 97.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -59.5 | -38.1 | 172 | 0 | 0 | 0 | 0 | 0 | 114.1 | I253 R254 F255 L261 | I253-G257 PolarHBondContact O-N 2.88Å; R254-G257 CarbonylContact O-C 3.57Å; R254-G257 WeakPolarHBondContact O-CA 3.38Å; R254-G257 PolarHBondContact O-N 3.19Å; R254-G257 VanDerWaalsContact O-N 3.16Å; F255-G257 VanDerWaalsContact C-N 3.32Å; F255-G257 PolarHBondContact O-N 2.83Å; G257-L261 WeakPolarHBondContact O-CB 3.22Å; G257-L261 VanDerWaalsContact O-CG 3.26Å; G257-L261 WeakPolarHBondContact O-CG 3.5Å; G257-L261 PolarHBondContact O-N 3.32Å |
| 258 | H | 96.1 | Very high | 95.5 | Very high | 8 Ų | 8 | 32.5 Ų | 32.5 | 4% | 0.037 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -68.7 | -42.2 | 175.6 | -74.8 | -60 | 0 | 0 | 0 | 112 | R254 F255 H256 S262 K263 L265 L268 | R254-H258 PolarHBondContact O-CD2 2.97Å; R254-H258 PolarHBondContact O-N 2.81Å; F255-H258 WeakPolarHBondContact O-CB 3.46Å; F255-H258 PolarHBondContact O-N 2.87Å; F255-H258 VanDerWaalsContact O-N 3.13Å; H256-H258 VanDerWaalsContact C-N 3.32Å; H256-H258 PolarHBondContact O-N 3.18Å; H258-S262 WeakPolarHBondContact O-CA 3.45Å; H258-S262 PolarHBondContact O-N 3.25Å; H258-K263 WeakPolarHBondContact CA-O 3.25Å; H258-K263 WeakPolarHBondContact CB-O 3.42Å; H258-K263 PolarHBondContact ND1-O 2.92Å; H258-K263 PolarHBondContact O-N 2.94Å; H258-L265 WeakPolarHBondContact O-CD2 3.29Å; H258-L268 HydrophobicContact CB-CD2 3.58Å; H258-L268 HydrophobicContact CB-CG 4.28Å |
| 259 | V | 96 | Very high | 95.5 | Very high | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.012 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -67.6 | -61.2 | 177.1 | 169.9 | 0 | 0 | 0 | 0 | 111.8 | F255 H256 L261 S262 L268 E303 L307 L329 | F255-V259 HydrophobicContact CD1-CG2 4.42Å; F255-V259 HydrophobicContact CE1-CG2 4.07Å; F255-V259 HydrophobicContact CZ-CG2 4.48Å; F255-V259 PolarHBondContact O-N 3.36Å; H256-V259 PolarHBondContact O-N 3.46Å; V259-L261 VanDerWaalsContact C-N 3.3Å; V259-L261 PolarHBondContact O-N 2.85Å; V259-S262 PolarHBondContact O-N 3.41Å; V259-L268 HydrophobicContact CG2-CD1 4.03Å; V259-L268 HydrophobicContact CG2-CD2 3.86Å; V259-E303 WeakPolarHBondContact CB-OE2 3.29Å; V259-E303 VanDerWaalsContact CG1-OE2 3.3Å; V259-E303 WeakPolarHBondContact CG1-OE2 3.39Å; V259-L307 HydrophobicContact CG1-CD1 3.9Å; V259-L307 HydrophobicContact CG1-CD2 4.38Å; V259-L307 HydrophobicContact CG1-CG 4.38Å; V259-L329 HydrophobicContact CG1-CD2 4.45Å |
| 260 | Y | 95.8 | Very high | 95.3 | Very high | 44 Ų | 44 | 38.4 Ų | 38.4 | 17% | 0.173 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.2 | -31.9 | -173.4 | -175.2 | -92.4 | 0 | 0 | 0 | 113.6 | L225 L229 H256 F302 E303 H306 | L225-Y260 HydrophobicContact CD2-CD2 4.37Å; L225-Y260 HydrophobicContact CD2-CE1 4.21Å; L225-Y260 HydrophobicContact CD2-CE2 3.87Å; L225-Y260 HydrophobicContact CG-CE1 4.31Å; L229-Y260 HydrophobicContact CD1-CD1 3.64Å; L229-Y260 HydrophobicContact CD1-CE1 4.43Å; L229-Y260 HydrophobicContact CD1-CG 3.82Å; H256-Y260 VanDerWaalsContact O-CB 3.29Å; H256-Y260 WeakPolarHBondContact O-CB 3.08Å; H256-Y260 PolarHBondContact O-N 2.95Å; Y260-F302 HydrophobicContact CD2-CE1 4.15Å; Y260-F302 AromaticContact CE2-CE1 3.98Å; Y260-F302 HydrophobicContact CE2-CE1 3.98Å; Y260-F302 HydrophobicContact CE2-CZ 4.11Å; Y260-E303 WeakPolarHBondContact CB-OE1 3.27Å; Y260-H306 AromaticContact CD2-CD2 3.74Å; Y260-H306 AromaticContact CE2-CD2 3.67Å; Y260-H306 AromaticContact CE2-NE2 3.61Å |
| 261 | L | 94.7 | Very high | 95.3 | Very high | 27 Ų | 27 | 35.1 Ų | 35.1 | 14% | 0.141 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | -3.8 | 177.6 | -54.5 | 175 | 0 | 0 | 0 | 113.2 | Q226 L229 S230 L233 G257 V259 K263 | Q226-L261 HydrophobicContact CB-CD2 4.49Å; Q226-L261 HydrophobicContact CG-CD2 3.79Å; L229-L261 HydrophobicContact CB-CD1 4.06Å; L229-L261 HydrophobicContact CB-CG 4.43Å; S230-L261 WeakPolarHBondContact OG-CD1 3.31Å; L233-L261 HydrophobicContact CD1-CD1 3.94Å; G257-L261 WeakPolarHBondContact O-CB 3.22Å; G257-L261 VanDerWaalsContact O-CG 3.26Å; G257-L261 WeakPolarHBondContact O-CG 3.5Å; G257-L261 PolarHBondContact O-N 3.32Å; V259-L261 VanDerWaalsContact C-N 3.3Å; V259-L261 PolarHBondContact O-N 2.85Å; L261-K263 HydrophobicContact CB-CB 4.49Å; L261-K263 HydrophobicContact CB-CD 3.93Å; L261-K263 HydrophobicContact CB-CG 4.22Å; L261-K263 WeakPolarHBondContact O-CG 3.35Å; L261-K263 PolarHBondContact O-N 3.48Å |
| 262 | S | 93.1 | Very high | 95.3 | Very high | 64 Ų | 64 | 36 Ų | 36 | 45% | 0.448 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 46.1 | 56.3 | -170.8 | -63.6 | 0 | 0 | 0 | 0 | 112.9 | H258 V259 | H258-S262 WeakPolarHBondContact O-CA 3.45Å; H258-S262 PolarHBondContact O-N 3.25Å; V259-S262 PolarHBondContact O-N 3.41Å |
| 263 | K | 91.6 | Very high | 95.1 | Very high | 101 Ų | 101 | 41.2 Ų | 41.2 | 44% | 0.439 | 22% | 0.221 | S | C | . | . | trans | -130.4 | 134.4 | -175.1 | -77.5 | 173.4 | -172.3 | 177.1 | 0 | 111.8 | L233 H258 L261 L265 | L233-K263 HydrophobicContact CD1-CB 4.26Å; L233-K263 HydrophobicContact CD1-CD 4.42Å; H258-K263 WeakPolarHBondContact CA-O 3.25Å; H258-K263 WeakPolarHBondContact CB-O 3.42Å; H258-K263 PolarHBondContact ND1-O 2.92Å; H258-K263 PolarHBondContact O-N 2.94Å; L261-K263 HydrophobicContact CB-CB 4.49Å; L261-K263 HydrophobicContact CB-CD 3.93Å; L261-K263 HydrophobicContact CB-CG 4.22Å; L261-K263 WeakPolarHBondContact O-CG 3.35Å; L261-K263 PolarHBondContact O-N 3.48Å; K263-L265 VanDerWaalsContact C-N 3.34Å; K263-L265 PolarHBondContact O-N 3.39Å | ||
| 264 | S | 91.8 | Very high | 95 | Very high | 63 Ų | 63 | 43 Ų | 43 | 44% | 0.441 | 23% | 0.229 | S | C | . | . | trans | 52.6 | 48.5 | 175.8 | -51.3 | 0 | 0 | 0 | 0 | 113.2 | D266 K267 | S264-D266 WeakPolarHBondContact CA-OD1 3.46Å; S264-D266 PolarHBondContact O-N 3.38Å; S264-K267 WeakPolarHBondContact O-CB 3.33Å; S264-K267 PolarHBondContact O-N 2.99Å | ||
| 265 | L | 93.1 | Very high | 95 | Very high | 27 Ų | 27 | 42 Ų | 42 | 14% | 0.141 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -62.9 | -20.3 | -177.3 | -55.4 | -179.3 | 0 | 0 | 0 | 112.6 | H258 K263 K267 L268 E321 V324 S325 | H258-L265 WeakPolarHBondContact O-CD2 3.29Å; K263-L265 VanDerWaalsContact C-N 3.34Å; K263-L265 PolarHBondContact O-N 3.39Å; L265-K267 PolarHBondContact O-N 3.3Å; L265-L268 HydrophobicContact CB-CD1 4.24Å; L265-L268 HydrophobicContact CD2-CD1 3.7Å; L265-L268 HydrophobicContact CD2-CG 4.44Å; L265-L268 WeakPolarHBondContact O-CB 3.32Å; L265-L268 PolarHBondContact O-N 3.2Å; L265-L268 VanDerWaalsContact O-N 3.07Å; L265-E321 HydrophobicContact CD1-CB 3.61Å; L265-E321 HydrophobicContact CD1-CG 3.97Å; L265-V324 HydrophobicContact CB-CG1 4.49Å; L265-S325 WeakPolarHBondContact CD2-OG 3.2Å |
| 266 | D | 93.4 | Very high | 94.9 | Very high | 131 Ų | 131 | 43.8 Ų | 43.8 | 70% | 0.701 | 23% | 0.233 | S | C | * | . | G | 310 helix | trans | -54.5 | -28.8 | 168.2 | 57.4 | -70.6 | 0 | 0 | 0 | 113.5 | S264 | S264-D266 WeakPolarHBondContact CA-OD1 3.46Å; S264-D266 PolarHBondContact O-N 3.38Å |
| 267 | K | 92.3 | Very high | 94.7 | Very high | 77 Ų | 77 | 48.1 Ų | 48.1 | 34% | 0.335 | 25% | 0.253 | S | S | . | . | G | 310 helix | trans | -80 | -18.7 | 176.9 | -66.1 | -164.9 | 177.2 | -171.4 | 0 | 114.2 | D237 S264 L265 D269 L271 | D237-K267 IonicContact OD1-NZ 3.13Å; D237-K267 IonicContact OD2-NZ 3.33Å; D237-K267 PolarHBondContact OD2-NZ 3.42Å; S264-K267 WeakPolarHBondContact O-CB 3.33Å; S264-K267 PolarHBondContact O-N 2.99Å; L265-K267 PolarHBondContact O-N 3.3Å; K267-D269 VanDerWaalsContact C-N 3.33Å; K267-D269 PolarHBondContact O-N 3.14Å; K267-L271 WeakPolarHBondContact O-CB 3.42Å; K267-L271 PolarHBondContact O-N 3.02Å; K267-L271 VanDerWaalsContact O-N 3.08Å |
| 268 | L | 95.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.4 | -40.7 | -168.6 | -74.3 | 177.2 | 0 | 0 | 0 | 112.5 | F255 H258 V259 L265 L271 R272 Q328 | F255-L268 HydrophobicContact CD2-CD2 3.68Å; F255-L268 HydrophobicContact CE2-CB 4.28Å; F255-L268 HydrophobicContact CE2-CD2 3.66Å; F255-L268 HydrophobicContact CG-CD2 4.21Å; F255-L268 HydrophobicContact CZ-CD2 4.17Å; H258-L268 HydrophobicContact CB-CD2 3.58Å; H258-L268 HydrophobicContact CB-CG 4.28Å; V259-L268 HydrophobicContact CG2-CD1 4.03Å; V259-L268 HydrophobicContact CG2-CD2 3.86Å; L265-L268 HydrophobicContact CB-CD1 4.24Å; L265-L268 HydrophobicContact CD2-CD1 3.7Å; L265-L268 HydrophobicContact CD2-CG 4.44Å; L265-L268 WeakPolarHBondContact O-CB 3.32Å; L265-L268 PolarHBondContact O-N 3.2Å; L265-L268 VanDerWaalsContact O-N 3.07Å; L268-L271 PolarHBondContact O-N 3.37Å; L268-R272 VanDerWaalsContact O-CB 3.22Å; L268-R272 WeakPolarHBondContact O-CB 3.49Å; L268-R272 PolarHBondContact O-N 2.81Å; L268-Q328 HydrophobicContact CB-CB 4.17Å; L268-Q328 HydrophobicContact CB-CG 3.83Å; L268-Q328 HydrophobicContact CD1-CB 4.16Å; L268-Q328 HydrophobicContact CD1-CG 4.18Å |
| 269 | D | 95.3 | Very high | 94.6 | Very high | 73 Ų | 73 | 47.9 Ų | 47.9 | 39% | 0.39 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -64.1 | -55.3 | -173.6 | -157.5 | 53.1 | 0 | 0 | 0 | 111.9 | K267 L271 R272 E273 Q328 | K267-D269 VanDerWaalsContact C-N 3.33Å; K267-D269 PolarHBondContact O-N 3.14Å; D269-L271 VanDerWaalsContact C-N 3.31Å; D269-L271 PolarHBondContact O-N 2.92Å; D269-R272 WeakPolarHBondContact O-CB 3.45Å; D269-R272 PolarHBondContact O-N 2.77Å; D269-R272 IonicContact OD1-CZ 3.48Å; D269-R272 IonicContact OD1-NH1 3.47Å; D269-R272 PolarHBondContact OD1-NH1 2.94Å; D269-R272 IonicContact OD1-NH2 2.76Å; D269-E273 WeakPolarHBondContact O-CG 3.4Å; D269-E273 PolarHBondContact O-N 2.85Å; D269-Q328 PolarHBondContact OD1-NE2 3.2Å |
| 270 | A | 94.6 | Very high | 94.5 | Very high | 68 Ų | 68 | 51.6 Ų | 51.6 | 56% | 0.562 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -66.2 | -31.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | K274 | A270-K274 WeakPolarHBondContact O-CB 3.12Å; A270-K274 PolarHBondContact O-N 3.09Å; A270-K274 VanDerWaalsContact O-N 3.16Å |
| 271 | L | 95.1 | Very high | 94.3 | Very high | 20 Ų | 20 | 51.9 Ų | 51.9 | 11% | 0.105 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -72.3 | -36 | 174.6 | -175.9 | 58.1 | 0 | 0 | 0 | 111.7 | W243 A251 R254 F255 K267 L268 D269 L275 | W243-L271 HydrophobicContact CH2-CD1 4.38Å; A251-L271 HydrophobicContact CB-CD1 4.17Å; R254-L271 HydrophobicContact CB-CD2 4.4Å; F255-L271 HydrophobicContact CB-CD2 3.8Å; F255-L271 HydrophobicContact CB-CG 4.23Å; F255-L271 HydrophobicContact CD2-CB 4.47Å; F255-L271 HydrophobicContact CD2-CD2 4.27Å; F255-L271 HydrophobicContact CD2-CG 4.21Å; K267-L271 WeakPolarHBondContact O-CB 3.42Å; K267-L271 PolarHBondContact O-N 3.02Å; K267-L271 VanDerWaalsContact O-N 3.08Å; L268-L271 PolarHBondContact O-N 3.37Å; D269-L271 VanDerWaalsContact C-N 3.31Å; D269-L271 PolarHBondContact O-N 2.92Å; L271-L275 HydrophobicContact CD1-CD1 4.39Å; L271-L275 HydrophobicContact CD1-CG 4.49Å; L271-L275 HydrophobicContact CG-CD1 4.1Å; L271-L275 VanDerWaalsContact O-CB 3.32Å; L271-L275 WeakPolarHBondContact O-CB 3.45Å; L271-L275 VanDerWaalsContact O-CG 3.29Å; L271-L275 WeakPolarHBondContact O-CG 3.31Å; L271-L275 PolarHBondContact O-N 2.86Å |
| 272 | R | 96.7 | Very high | 94.2 | Very high | 20 Ų | 20 | 50.8 Ų | 50.8 | 8% | 0.075 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.8 | -55.3 | 173.5 | -168.4 | -156.6 | 66.2 | -116.8 | -10 | 109.9 | F255 L268 D269 K274 L275 E276 L332 | F255-R272 HydrophobicContact CE2-CB 3.93Å; F255-R272 HydrophobicContact CE2-CG 4.35Å; L268-R272 VanDerWaalsContact O-CB 3.22Å; L268-R272 WeakPolarHBondContact O-CB 3.49Å; L268-R272 PolarHBondContact O-N 2.81Å; D269-R272 WeakPolarHBondContact O-CB 3.45Å; D269-R272 PolarHBondContact O-N 2.77Å; D269-R272 IonicContact OD1-CZ 3.48Å; D269-R272 IonicContact OD1-NH1 3.47Å; D269-R272 PolarHBondContact OD1-NH1 2.94Å; D269-R272 IonicContact OD1-NH2 2.76Å; R272-K274 VanDerWaalsContact C-N 3.3Å; R272-K274 PolarHBondContact O-N 2.92Å; R272-L275 CarbonylContact O-C 3.33Å; R272-L275 WeakPolarHBondContact O-CA 3.27Å; R272-L275 WeakPolarHBondContact O-CB 3.49Å; R272-L275 PolarHBondContact O-N 3.44Å; R272-L275 VanDerWaalsContact O-N 3.07Å; R272-E276 WeakPolarHBondContact CD-OE1 3.37Å; R272-E276 HydrophobicContact CG-CG 4.48Å; R272-E276 VanDerWaalsContact CG-OE1 3.27Å; R272-E276 WeakPolarHBondContact CG-OE1 3.2Å; R272-E276 IonicContact CZ-OE1 3.67Å; R272-E276 IonicContact NE-OE1 3.47Å; R272-E276 PolarHBondContact NE-OE1 3.01Å; R272-E276 WeakPolarHBondContact O-CG 3.48Å; R272-E276 PolarHBondContact O-N 3Å; R272-L332 HydrophobicContact CG-CB 4.01Å; R272-L332 HydrophobicContact CG-CD1 3.85Å |
| 273 | E | 95.3 | Very high | 94.1 | Very high | 109 Ų | 109 | 47.8 Ų | 47.8 | 51% | 0.509 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -56.7 | -43.9 | 179.7 | -67.2 | -176.7 | 161 | 0 | 0 | 112 | D269 L275 E276 E277 | D269-E273 WeakPolarHBondContact O-CG 3.4Å; D269-E273 PolarHBondContact O-N 2.85Å; E273-L275 PolarHBondContact O-N 2.9Å; E273-E276 PolarHBondContact O-N 2.95Å; E273-E277 WeakPolarHBondContact O-CB 3.49Å; E273-E277 PolarHBondContact O-N 2.93Å |
| 274 | K | 95.2 | Very high | 93.8 | Very high | 49 Ų | 49 | 45.3 Ų | 45.3 | 21% | 0.213 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -70.2 | -31.3 | 178.4 | -164.6 | 66.4 | -168.1 | 169.2 | 0 | 113.1 | T241 W243 A270 R272 E277 Q278 | T241-K274 WeakPolarHBondContact O-CE 3.48Å; T241-K274 PolarHBondContact O-NZ 3.37Å; W243-K274 HydrophobicContact CH2-CB 4Å; W243-K274 HydrophobicContact CH2-CG 3.51Å; W243-K274 HydrophobicContact CZ2-CB 4.35Å; W243-K274 HydrophobicContact CZ2-CG 3.44Å; W243-K274 VanDerWaalsContact CZ2-CG 3.44Å; W243-K274 HydrophobicContact CZ3-CG 4.28Å; A270-K274 WeakPolarHBondContact O-CB 3.12Å; A270-K274 PolarHBondContact O-N 3.09Å; A270-K274 VanDerWaalsContact O-N 3.16Å; R272-K274 VanDerWaalsContact C-N 3.3Å; R272-K274 PolarHBondContact O-N 2.92Å; K274-E277 WeakPolarHBondContact CD-OE2 3.37Å; K274-E277 IonicContact NZ-OE1 2.77Å; K274-E277 PolarHBondContact NZ-OE1 3.49Å; K274-E277 IonicContact NZ-OE2 3.54Å; K274-E277 PolarHBondContact NZ-OE2 3.31Å; K274-Q278 HydrophobicContact CD-CG 4.39Å; K274-Q278 HydrophobicContact CG-CG 4.44Å; K274-Q278 VanDerWaalsContact O-CB 3.31Å; K274-Q278 WeakPolarHBondContact O-CB 3.42Å; K274-Q278 WeakPolarHBondContact O-CG 3.29Å; K274-Q278 PolarHBondContact O-N 2.91Å; K274-Q278 VanDerWaalsContact O-N 3.13Å |
| 275 | L | 96.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66.9 | -45.3 | 170.4 | -81.9 | 165.3 | 0 | 0 | 0 | 111.6 | W243 F248 A251 F252 F255 L271 R272 E273 Q278 F279 L332 F336 | W243-L275 HydrophobicContact CZ3-CD2 3.95Å; W243-L275 HydrophobicContact CZ3-CG 4.25Å; F248-L275 HydrophobicContact CD2-CD2 3.77Å; F248-L275 HydrophobicContact CE2-CD2 3.46Å; F248-L275 VanDerWaalsContact CE2-CD2 3.46Å; F248-L275 HydrophobicContact CZ-CD2 4.06Å; A251-L275 HydrophobicContact CB-CD2 3.89Å; A251-L275 HydrophobicContact CB-CG 4.41Å; F252-L275 HydrophobicContact CB-CD2 4Å; F255-L275 HydrophobicContact CB-CD1 3.64Å; F255-L275 HydrophobicContact CD2-CD1 4.09Å; F255-L275 HydrophobicContact CG-CD1 3.96Å; L271-L275 HydrophobicContact CD1-CD1 4.39Å; L271-L275 HydrophobicContact CD1-CG 4.49Å; L271-L275 HydrophobicContact CG-CD1 4.1Å; L271-L275 VanDerWaalsContact O-CB 3.32Å; L271-L275 WeakPolarHBondContact O-CB 3.45Å; L271-L275 VanDerWaalsContact O-CG 3.29Å; L271-L275 WeakPolarHBondContact O-CG 3.31Å; L271-L275 PolarHBondContact O-N 2.86Å; R272-L275 CarbonylContact O-C 3.33Å; R272-L275 WeakPolarHBondContact O-CA 3.27Å; R272-L275 WeakPolarHBondContact O-CB 3.49Å; R272-L275 PolarHBondContact O-N 3.44Å; R272-L275 VanDerWaalsContact O-N 3.07Å; E273-L275 PolarHBondContact O-N 2.9Å; L275-Q278 PolarHBondContact O-N 3.36Å; L275-F279 WeakPolarHBondContact O-CB 3.21Å; L275-F279 PolarHBondContact O-N 3.11Å; L275-L332 HydrophobicContact CB-CD1 3.88Å; L275-L332 HydrophobicContact CD1-CD1 4.44Å; L275-L332 HydrophobicContact CD1-CD2 4.31Å; L275-F336 HydrophobicContact CB-CE1 4.44Å; L275-F336 HydrophobicContact CB-CZ 4.31Å |
| 276 | E | 95.6 | Very high | 93.2 | Very high | 36 Ų | 36 | 49 Ų | 49 | 17% | 0.168 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -57.9 | -52.5 | 176.9 | -67.6 | -179.7 | -144.9 | 0 | 0 | 111.1 | R272 E273 Q278 F279 Q280 L332 S335 R385 | R272-E276 WeakPolarHBondContact CD-OE1 3.37Å; R272-E276 HydrophobicContact CG-CG 4.48Å; R272-E276 VanDerWaalsContact CG-OE1 3.27Å; R272-E276 WeakPolarHBondContact CG-OE1 3.2Å; R272-E276 IonicContact CZ-OE1 3.67Å; R272-E276 IonicContact NE-OE1 3.47Å; R272-E276 PolarHBondContact NE-OE1 3.01Å; R272-E276 WeakPolarHBondContact O-CG 3.48Å; R272-E276 PolarHBondContact O-N 3Å; E273-E276 PolarHBondContact O-N 2.95Å; E276-Q278 PolarHBondContact O-N 2.79Å; E276-F279 PolarHBondContact O-N 2.65Å; E276-Q280 PolarHBondContact O-N 3.38Å; E276-L332 HydrophobicContact CG-CD1 4.08Å; E276-S335 PolarHBondContact OE1-OG 3.07Å; E276-S335 WeakPolarHBondContact OE2-CB 3.31Å; E276-S335 PolarHBondContact OE2-OG 2.73Å; E276-R385 IonicContact OE1-NH2 2.84Å; E276-R385 PolarHBondContact OE1-NH2 3.01Å; E276-R385 IonicContact OE2-NH2 3.22Å |
| 277 | E | 94 | Very high | 93.1 | Very high | 91 Ų | 91 | 44.4 Ų | 44.4 | 43% | 0.425 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -57.4 | -45.9 | 178.4 | -172.3 | -142.1 | 116.7 | 0 | 0 | 112.6 | E273 K274 R281 | E273-E277 WeakPolarHBondContact O-CB 3.49Å; E273-E277 PolarHBondContact O-N 2.93Å; K274-E277 WeakPolarHBondContact CD-OE2 3.37Å; K274-E277 IonicContact NZ-OE1 2.77Å; K274-E277 PolarHBondContact NZ-OE1 3.49Å; K274-E277 IonicContact NZ-OE2 3.54Å; K274-E277 PolarHBondContact NZ-OE2 3.31Å; E277-R281 PolarHBondContact O-N 3.33Å |
| 278 | Q | 95.8 | Very high | 93.2 | Very high | 3 Ų | 3 | 41.1 Ų | 41.1 | 1% | 0.014 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -79.4 | -29 | -177 | -65.6 | -68.7 | -60.4 | 0 | 0 | 112.4 | T241 W243 F248 K274 L275 E276 L282 | T241-Q278 PolarHBondContact O-NE2 3.19Å; W243-Q278 HydrophobicContact CB-CG 4.36Å; W243-Q278 HydrophobicContact CD2-CB 4.2Å; W243-Q278 HydrophobicContact CD2-CG 3.81Å; W243-Q278 HydrophobicContact CE3-CB 3.67Å; W243-Q278 HydrophobicContact CE3-CG 3.72Å; W243-Q278 HydrophobicContact CG-CG 4.09Å; W243-Q278 HydrophobicContact CZ3-CB 4.23Å; W243-Q278 HydrophobicContact CZ3-CG 4.27Å; F248-Q278 HydrophobicContact CD2-CB 4.43Å; K274-Q278 HydrophobicContact CD-CG 4.39Å; K274-Q278 HydrophobicContact CG-CG 4.44Å; K274-Q278 VanDerWaalsContact O-CB 3.31Å; K274-Q278 WeakPolarHBondContact O-CB 3.42Å; K274-Q278 WeakPolarHBondContact O-CG 3.29Å; K274-Q278 PolarHBondContact O-N 2.91Å; K274-Q278 VanDerWaalsContact O-N 3.13Å; L275-Q278 PolarHBondContact O-N 3.36Å; E276-Q278 PolarHBondContact O-N 2.79Å; Q278-L282 WeakPolarHBondContact O-CB 3.31Å; Q278-L282 VanDerWaalsContact O-CG 3.29Å; Q278-L282 WeakPolarHBondContact O-CG 3.29Å; Q278-L282 PolarHBondContact O-N 3.46Å |
| 279 | F | 95.8 | Very high | 93.1 | Very high | 1 Ų | 1 | 43.9 Ų | 43.9 | 0% | 0.004 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64 | -47.6 | 170.9 | -171.6 | -119.5 | 0 | 0 | 0 | 110.5 | F248 L275 E276 R281 L282 I283 F288 L293 I296 F336 V339 M340 | F248-F279 HydrophobicContact CE1-CD2 4.16Å; F248-F279 HydrophobicContact CE2-CB 3.72Å; F248-F279 HydrophobicContact CE2-CD2 4.01Å; F248-F279 HydrophobicContact CE2-CG 4.3Å; F248-F279 HydrophobicContact CZ-CB 4.07Å; F248-F279 AromaticContact CZ-CD2 3.52Å; F248-F279 HydrophobicContact CZ-CD2 3.52Å; F248-F279 HydrophobicContact CZ-CE2 4.34Å; F248-F279 HydrophobicContact CZ-CG 4.16Å; L275-F279 WeakPolarHBondContact O-CB 3.21Å; L275-F279 PolarHBondContact O-N 3.11Å; E276-F279 PolarHBondContact O-N 2.65Å; F279-R281 PolarHBondContact O-N 3.01Å; F279-L282 PolarHBondContact O-N 3.01Å; F279-I283 HydrophobicContact CD1-CG1 4.02Å; F279-I283 HydrophobicContact CD2-CG1 3.89Å; F279-I283 HydrophobicContact CE1-CD1 4.16Å; F279-I283 HydrophobicContact CE1-CG1 3.8Å; F279-I283 HydrophobicContact CE2-CD1 3.8Å; F279-I283 HydrophobicContact CE2-CG1 3.67Å; F279-I283 HydrophobicContact CG-CG1 4.07Å; F279-I283 HydrophobicContact CZ-CD1 3.6Å; F279-I283 HydrophobicContact CZ-CG1 3.63Å; F279-I283 VanDerWaalsContact O-CB 3.23Å; F279-I283 WeakPolarHBondContact O-CB 3.4Å; F279-I283 VanDerWaalsContact O-CG1 3.26Å; F279-I283 WeakPolarHBondContact O-CG1 3.36Å; F279-I283 PolarHBondContact O-N 3.43Å; F279-F288 HydrophobicContact CD2-CD2 4.47Å; F279-F288 AromaticContact CD2-CE2 3.68Å; F279-F288 HydrophobicContact CD2-CE2 3.68Å; F279-F288 HydrophobicContact CD2-CZ 4.11Å; F279-F288 HydrophobicContact CE2-CD2 4.23Å; F279-F288 AromaticContact CE2-CE2 3.86Å; F279-F288 HydrophobicContact CE2-CE2 3.86Å; F279-F288 HydrophobicContact CE2-CZ 4.4Å; F279-L293 HydrophobicContact CE2-CD2 3.79Å; F279-L293 HydrophobicContact CZ-CD2 3.98Å; F279-I296 HydrophobicContact CE2-CD1 4.4Å; F279-F336 HydrophobicContact CB-CD1 4.18Å; F279-F336 HydrophobicContact CB-CE1 3.7Å; F279-F336 HydrophobicContact CB-CZ 4.14Å; F279-F336 HydrophobicContact CD1-CB 4.11Å; F279-F336 AromaticContact CD1-CD1 3.43Å; F279-F336 HydrophobicContact CD1-CD1 3.43Å; F279-F336 VanDerWaalsContact CD1-CD1 3.43Å; F279-F336 HydrophobicContact CD1-CD2 4.26Å; F279-F336 AromaticContact CD1-CE1 3.84Å; F279-F336 HydrophobicContact CD1-CE1 3.84Å; F279-F336 AromaticContact CD1-CG 3.67Å; F279-F336 HydrophobicContact CD1-CG 3.67Å; F279-F336 HydrophobicContact CD1-CZ 4.41Å; F279-F336 HydrophobicContact CD2-CE1 4.49Å; F279-F336 HydrophobicContact CD2-CE2 4.41Å; F279-F336 HydrophobicContact CD2-CZ 4.35Å; F279-F336 HydrophobicContact CE1-CB 3.69Å; F279-F336 AromaticContact CE1-CD1 3.92Å; F279-F336 HydrophobicContact CE1-CD1 3.92Å; F279-F336 HydrophobicContact CE1-CD2 4.11Å; F279-F336 AromaticContact CE1-CG 3.64Å; F279-F336 HydrophobicContact CE1-CG 3.64Å; F279-F336 HydrophobicContact CE2-CD2 4.45Å; F279-F336 AromaticContact CG-CD1 3.89Å; F279-F336 HydrophobicContact CG-CD1 3.89Å; F279-F336 AromaticContact CG-CE1 3.78Å; F279-F336 HydrophobicContact CG-CE1 3.78Å; F279-F336 HydrophobicContact CG-CE2 4.43Å; F279-F336 HydrophobicContact CG-CG 4.27Å; F279-F336 HydrophobicContact CG-CZ 4.08Å; F279-F336 HydrophobicContact CZ-CB 4.35Å; F279-F336 HydrophobicContact CZ-CD2 4.19Å; F279-F336 HydrophobicContact CZ-CG 4.19Å; F279-V339 HydrophobicContact CD1-CB 3.87Å; F279-V339 HydrophobicContact CD1-CG1 3.52Å; F279-V339 HydrophobicContact CD1-CG2 4.39Å; F279-V339 HydrophobicContact CE1-CB 4.09Å; F279-V339 HydrophobicContact CE1-CG1 3.8Å; F279-V339 HydrophobicContact CG-CG1 4.42Å; F279-M340 HydrophobicContact CE1-CG 4.05Å; F279-M340 HydrophobicContact CZ-CG 4.07Å; F279-M340 HydrophobicContact CZ-SD 4.34Å |
| 280 | Q | 92.6 | Very high | 92.8 | Very high | 80 Ų | 80 | 41.5 Ų | 41.5 | 37% | 0.374 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -52.8 | -52.9 | 176 | -172.6 | -179.3 | 0.1 | 0 | 0 | 111.6 | E276 L282 I283 L284 V339 | E276-Q280 PolarHBondContact O-N 3.38Å; Q280-L282 PolarHBondContact O-N 2.87Å; Q280-I283 PolarHBondContact O-N 3.43Å; Q280-L284 HydrophobicContact CG-CD1 4.3Å; Q280-L284 VanDerWaalsContact O-CG 3.28Å; Q280-L284 WeakPolarHBondContact O-CG 3.33Å; Q280-L284 PolarHBondContact O-N 2.89Å; Q280-L284 VanDerWaalsContact O-N 3.1Å; Q280-V339 HydrophobicContact CB-CG1 4.23Å; Q280-V339 HydrophobicContact CB-CG2 3.99Å; Q280-V339 HydrophobicContact CG-CG2 4.33Å |
| 281 | R | 91.6 | Very high | 92.8 | Very high | 49 Ų | 49 | 42.8 Ų | 42.8 | 19% | 0.185 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.4 | -44.1 | 178.6 | -173.9 | -173.8 | 55.8 | 73.1 | 4.5 | 113.1 | W243 E277 F279 Q285 | W243-R281 PolarHBondContact O-NH2 3.36Å; E277-R281 PolarHBondContact O-N 3.33Å; F279-R281 PolarHBondContact O-N 3.01Å; R281-Q285 WeakPolarHBondContact O-CB 3.41Å; R281-Q285 VanDerWaalsContact O-CG 3.3Å; R281-Q285 WeakPolarHBondContact O-CG 3.5Å; R281-Q285 PolarHBondContact O-N 3.21Å |
| 282 | L | 93.2 | Very high | 92.8 | Very high | 5 Ų | 5 | 44.4 Ų | 44.4 | 3% | 0.026 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -71.9 | -34.8 | -177.7 | -72.8 | 171.8 | 0 | 0 | 0 | 112.7 | V245 F248 Q278 F279 Q280 Q285 K286 A287 F288 | V245-L282 HydrophobicContact CG2-CD2 4.24Å; F248-L282 HydrophobicContact CB-CD1 3.67Å; F248-L282 HydrophobicContact CD2-CD1 4.33Å; F248-L282 HydrophobicContact CG-CD1 4.02Å; Q278-L282 WeakPolarHBondContact O-CB 3.31Å; Q278-L282 VanDerWaalsContact O-CG 3.29Å; Q278-L282 WeakPolarHBondContact O-CG 3.29Å; Q278-L282 PolarHBondContact O-N 3.46Å; F279-L282 PolarHBondContact O-N 3.01Å; Q280-L282 PolarHBondContact O-N 2.87Å; L282-Q285 CarbonylContact O-C 3.57Å; L282-Q285 PolarHBondContact O-N 2.98Å; L282-K286 PolarHBondContact O-N 2.77Å; L282-A287 HydrophobicContact CB-CB 4.29Å; L282-A287 HydrophobicContact CD2-CB 4Å; L282-A287 WeakPolarHBondContact O-CB 3.3Å; L282-A287 PolarHBondContact O-N 3.4Å; L282-F288 HydrophobicContact CB-CD2 4.24Å; L282-F288 HydrophobicContact CB-CE2 3.45Å; L282-F288 VanDerWaalsContact CB-CE2 3.45Å; L282-F288 HydrophobicContact CB-CZ 3.92Å; L282-F288 HydrophobicContact CD1-CE2 4.33Å; L282-F288 HydrophobicContact CD1-CZ 3.92Å |
| 283 | I | 90.3 | Very high | 92.9 | Very high | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.3 | -45.8 | 173 | -78.7 | -76.4 | 0 | 0 | 0 | 111 | F279 Q280 Q285 K286 F288 L293 V339 M340 R343 | F279-I283 HydrophobicContact CD1-CG1 4.02Å; F279-I283 HydrophobicContact CD2-CG1 3.89Å; F279-I283 HydrophobicContact CE1-CD1 4.16Å; F279-I283 HydrophobicContact CE1-CG1 3.8Å; F279-I283 HydrophobicContact CE2-CD1 3.8Å; F279-I283 HydrophobicContact CE2-CG1 3.67Å; F279-I283 HydrophobicContact CG-CG1 4.07Å; F279-I283 HydrophobicContact CZ-CD1 3.6Å; F279-I283 HydrophobicContact CZ-CG1 3.63Å; F279-I283 VanDerWaalsContact O-CB 3.23Å; F279-I283 WeakPolarHBondContact O-CB 3.4Å; F279-I283 VanDerWaalsContact O-CG1 3.26Å; F279-I283 WeakPolarHBondContact O-CG1 3.36Å; F279-I283 PolarHBondContact O-N 3.43Å; Q280-I283 PolarHBondContact O-N 3.43Å; I283-Q285 VanDerWaalsContact C-N 3.33Å; I283-K286 PolarHBondContact O-N 3.2Å; I283-F288 HydrophobicContact CD1-CD2 3.92Å; I283-F288 HydrophobicContact CG1-CD2 4.07Å; I283-F288 HydrophobicContact CG1-CE2 4.24Å; I283-L293 HydrophobicContact CD1-CD1 3.59Å; I283-L293 HydrophobicContact CD1-CD2 3.71Å; I283-L293 HydrophobicContact CD1-CG 4.31Å; I283-V339 HydrophobicContact CB-CG1 3.93Å; I283-V339 HydrophobicContact CG1-CG1 3.93Å; I283-V339 HydrophobicContact CG2-CG1 3.9Å; I283-M340 HydrophobicContact CD1-CG 4.31Å; I283-R343 HydrophobicContact CG2-CB 3.41Å; I283-R343 VanDerWaalsContact CG2-CB 3.41Å; I283-R343 HydrophobicContact CG2-CG 3.51Å |
| 284 | L | 85.3 | Confident | 92.9 | Very high | 49 Ų | 49 | 38.5 Ų | 38.5 | 26% | 0.257 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -67.9 | -33.7 | 177.6 | -64.6 | 175.8 | 0 | 0 | 0 | 112.2 | Q280 K286 R343 L346 P497 | Q280-L284 HydrophobicContact CG-CD1 4.3Å; Q280-L284 VanDerWaalsContact O-CG 3.28Å; Q280-L284 WeakPolarHBondContact O-CG 3.33Å; Q280-L284 PolarHBondContact O-N 2.89Å; Q280-L284 VanDerWaalsContact O-N 3.1Å; L284-K286 PolarHBondContact O-N 3.3Å; L284-K286 VanDerWaalsContact O-N 3.17Å; L284-R343 HydrophobicContact CD2-CB 4.03Å; L284-R343 HydrophobicContact CD2-CG 4.14Å; L284-L346 HydrophobicContact CD1-CD1 4.31Å; L284-L346 HydrophobicContact CD2-CD1 3.53Å; L284-P497 HydrophobicContact CD1-CG 3.69Å |
| 285 | Q | 86.6 | Confident | 93.1 | Very high | 60 Ų | 60 | 36.2 Ų | 36.2 | 28% | 0.28 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75 | 8.8 | 171.3 | -69.7 | 178.7 | -27.4 | 0 | 0 | 113.7 | R281 L282 I283 A287 | R281-Q285 WeakPolarHBondContact O-CB 3.41Å; R281-Q285 VanDerWaalsContact O-CG 3.3Å; R281-Q285 WeakPolarHBondContact O-CG 3.5Å; R281-Q285 PolarHBondContact O-N 3.21Å; L282-Q285 CarbonylContact O-C 3.57Å; L282-Q285 PolarHBondContact O-N 2.98Å; I283-Q285 VanDerWaalsContact C-N 3.33Å; Q285-A287 PolarHBondContact O-N 3.38Å |
| 286 | K | 87.4 | Confident | 93.2 | Very high | 108 Ų | 108 | 36.3 Ų | 36.3 | 47% | 0.47 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.8 | 27.2 | -179.4 | -58.4 | -179.7 | -179.1 | -179.8 | 0 | 113.3 | L282 I283 L284 F288 E352 | L282-K286 PolarHBondContact O-N 2.77Å; I283-K286 PolarHBondContact O-N 3.2Å; L284-K286 PolarHBondContact O-N 3.3Å; L284-K286 VanDerWaalsContact O-N 3.17Å; K286-F288 VanDerWaalsContact C-N 3.28Å; K286-F288 PolarHBondContact O-N 3.04Å; K286-E352 WeakPolarHBondContact CE-OE2 3.3Å; K286-E352 IonicContact NZ-OE1 2.62Å; K286-E352 PolarHBondContact NZ-OE1 3.2Å; K286-E352 IonicContact NZ-OE2 3.55Å; K286-E352 PolarHBondContact NZ-OE2 2.66Å |
| 287 | A | 90.9 | Very high | 93.3 | Very high | 33 Ų | 33 | 34.8 Ų | 34.8 | 27% | 0.273 | 18% | 0.175 | S | C | . | . | trans | -79.5 | -2.9 | -167.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | V245 L282 Q285 | V245-A287 HydrophobicContact CG2-CB 3.77Å; V245-A287 WeakPolarHBondContact CG2-O 3.37Å; L282-A287 HydrophobicContact CB-CB 4.29Å; L282-A287 HydrophobicContact CD2-CB 4Å; L282-A287 WeakPolarHBondContact O-CB 3.3Å; L282-A287 PolarHBondContact O-N 3.4Å; Q285-A287 PolarHBondContact O-N 3.38Å | ||
| 288 | F | 93.3 | Very high | 93.5 | Very high | 8 Ų | 8 | 30.4 Ų | 30.4 | 4% | 0.035 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -116.5 | 135.8 | 177.8 | -61.1 | -72.7 | 0 | 0 | 0 | 111.5 | V245 F248 F279 L282 I283 K286 Q292 L293 I296 C358 | V245-F288 HydrophobicContact CG1-CD1 4.17Å; V245-F288 HydrophobicContact CG1-CE1 3.93Å; F248-F288 AromaticContact CD1-CE1 3.76Å; F248-F288 HydrophobicContact CD1-CE1 3.76Å; F248-F288 AromaticContact CD1-CZ 3.48Å; F248-F288 HydrophobicContact CD1-CZ 3.48Å; F248-F288 VanDerWaalsContact CD1-CZ 3.48Å; F248-F288 HydrophobicContact CE1-CE1 4.01Å; F248-F288 AromaticContact CE1-CZ 3.65Å; F248-F288 HydrophobicContact CE1-CZ 3.65Å; F248-F288 HydrophobicContact CG-CZ 4.02Å; F248-F288 HydrophobicContact CZ-CZ 4.31Å; F279-F288 HydrophobicContact CD2-CD2 4.47Å; F279-F288 AromaticContact CD2-CE2 3.68Å; F279-F288 HydrophobicContact CD2-CE2 3.68Å; F279-F288 HydrophobicContact CD2-CZ 4.11Å; F279-F288 HydrophobicContact CE2-CD2 4.23Å; F279-F288 AromaticContact CE2-CE2 3.86Å; F279-F288 HydrophobicContact CE2-CE2 3.86Å; F279-F288 HydrophobicContact CE2-CZ 4.4Å; L282-F288 HydrophobicContact CB-CD2 4.24Å; L282-F288 HydrophobicContact CB-CE2 3.45Å; L282-F288 VanDerWaalsContact CB-CE2 3.45Å; L282-F288 HydrophobicContact CB-CZ 3.92Å; L282-F288 HydrophobicContact CD1-CE2 4.33Å; L282-F288 HydrophobicContact CD1-CZ 3.92Å; I283-F288 HydrophobicContact CD1-CD2 3.92Å; I283-F288 HydrophobicContact CG1-CD2 4.07Å; I283-F288 HydrophobicContact CG1-CE2 4.24Å; K286-F288 VanDerWaalsContact C-N 3.28Å; K286-F288 PolarHBondContact O-N 3.04Å; F288-Q292 HydrophobicContact CB-CB 4.46Å; F288-Q292 HydrophobicContact CD1-CB 4.47Å; F288-L293 HydrophobicContact CB-CD2 3.54Å; F288-L293 HydrophobicContact CB-CG 3.96Å; F288-L293 HydrophobicContact CD1-CD2 4.47Å; F288-L293 HydrophobicContact CD2-CD2 3.91Å; F288-L293 HydrophobicContact CG-CD2 3.76Å; F288-I296 HydrophobicContact CD1-CD1 4.35Å; F288-I296 HydrophobicContact CE1-CD1 4.19Å; F288-C358 PolarHBondContact O-SG 3.44Å |
| 289 | S | 93.1 | Very high | 93.6 | Very high | 59 Ų | 59 | 30.3 Ų | 30.3 | 41% | 0.413 | 15% | 0.154 | S | C | . | . | trans | -70.6 | 159 | 167.8 | 82.8 | 0 | 0 | 0 | 0 | 111.1 | Q291 Q292 L293 | S289-Q291 PolarHBondContact O-N 2.97Å; S289-Q291 PolarHBondContact OG-N 3.43Å; S289-Q292 PolarHBondContact O-N 3.47Å; S289-Q292 VanDerWaalsContact O-N 3.13Å; S289-Q292 WeakPolarHBondContact OG-CG 3.33Å; S289-Q292 PolarHBondContact OG-N 3.24Å; S289-L293 PolarHBondContact O-N 3.41Å | ||
| 290 | S | 90.6 | Very high | 93.8 | Very high | 23 Ų | 23 | 30.3 Ų | 30.3 | 16% | 0.161 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60.6 | -32.1 | 177.4 | -156.6 | 0 | 0 | 0 | 0 | 112.5 | L293 V294 C358 P361 | S290-L293 PolarHBondContact O-N 3.02Å; S290-V294 WeakPolarHBondContact O-CG2 3.44Å; S290-V294 PolarHBondContact O-N 3.07Å; S290-C358 PolarHBondContact OG-N 3.24Å; S290-P361 WeakPolarHBondContact OG-CD 3.38Å; S290-P361 WeakPolarHBondContact OG-CG 3.45Å |
| 291 | Q | 93.4 | Very high | 94 | Very high | 94 Ų | 94 | 26.5 Ų | 26.5 | 44% | 0.439 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -70.3 | -38.6 | 176.3 | -171.4 | 173.4 | 29.3 | 0 | 0 | 112 | S289 L293 V294 H295 E419 | S289-Q291 PolarHBondContact O-N 2.97Å; S289-Q291 PolarHBondContact OG-N 3.43Å; Q291-L293 VanDerWaalsContact C-N 3.28Å; Q291-L293 PolarHBondContact O-N 3.49Å; Q291-V294 WeakPolarHBondContact O-CB 3.36Å; Q291-V294 PolarHBondContact O-N 2.96Å; Q291-H295 WeakPolarHBondContact CG-NE2 3.46Å; Q291-H295 PolarHBondContact O-CD2 3.27Å; Q291-H295 PolarHBondContact O-N 2.94Å; Q291-E419 PolarHBondContact NE2-OE1 2.9Å |
| 292 | Q | 96.3 | Very high | 94.3 | Very high | 54 Ų | 54 | 24.4 Ų | 24.4 | 25% | 0.252 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -61.9 | -37.5 | 174.8 | -71.6 | 173.4 | -41.3 | 0 | 0 | 111.6 | L202 F288 S289 H295 I296 | L202-Q292 HydrophobicContact CD2-CB 4Å; L202-Q292 HydrophobicContact CD2-CG 4.06Å; F288-Q292 HydrophobicContact CB-CB 4.46Å; F288-Q292 HydrophobicContact CD1-CB 4.47Å; S289-Q292 PolarHBondContact O-N 3.47Å; S289-Q292 VanDerWaalsContact O-N 3.13Å; S289-Q292 WeakPolarHBondContact OG-CG 3.33Å; S289-Q292 PolarHBondContact OG-N 3.24Å; Q292-H295 PolarHBondContact O-N 3.04Å; Q292-I296 WeakPolarHBondContact O-CB 3.36Å; Q292-I296 WeakPolarHBondContact O-CD1 3.31Å; Q292-I296 VanDerWaalsContact O-CG1 3.28Å; Q292-I296 WeakPolarHBondContact O-CG1 3.42Å; Q292-I296 PolarHBondContact O-N 3.34Å |
| 293 | L | 96.9 | Very high | 94.4 | Very high | 1 Ų | 1 | 24.3 Ų | 24.3 | 1% | 0.005 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -70.3 | -35.8 | 174.7 | -59.5 | -169.2 | 0 | 0 | 0 | 112.8 | F279 I283 F288 S289 S290 Q291 I296 T297 M340 C358 P359 A362 | F279-L293 HydrophobicContact CE2-CD2 3.79Å; F279-L293 HydrophobicContact CZ-CD2 3.98Å; I283-L293 HydrophobicContact CD1-CD1 3.59Å; I283-L293 HydrophobicContact CD1-CD2 3.71Å; I283-L293 HydrophobicContact CD1-CG 4.31Å; F288-L293 HydrophobicContact CB-CD2 3.54Å; F288-L293 HydrophobicContact CB-CG 3.96Å; F288-L293 HydrophobicContact CD1-CD2 4.47Å; F288-L293 HydrophobicContact CD2-CD2 3.91Å; F288-L293 HydrophobicContact CG-CD2 3.76Å; S289-L293 PolarHBondContact O-N 3.41Å; S290-L293 PolarHBondContact O-N 3.02Å; Q291-L293 VanDerWaalsContact C-N 3.28Å; Q291-L293 PolarHBondContact O-N 3.49Å; L293-I296 HydrophobicContact CD2-CD1 4.19Å; L293-T297 VanDerWaalsContact O-CB 3.29Å; L293-T297 WeakPolarHBondContact O-CB 3.39Å; L293-T297 PolarHBondContact O-N 3.07Å; L293-T297 PolarHBondContact O-OG1 3.16Å; L293-M340 HydrophobicContact CB-SD 4.38Å; L293-M340 HydrophobicContact CD1-SD 4.08Å; L293-C358 WeakPolarHBondContact CD1-SG 3.46Å; L293-P359 HydrophobicContact CD1-CB 3.62Å; L293-A362 HydrophobicContact CB-CB 3.88Å |
| 294 | V | 96.8 | Very high | 94.6 | Very high | 4 Ų | 4 | 24.3 Ų | 24.3 | 2% | 0.024 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61.2 | -46.1 | 169.5 | 168.1 | 0 | 0 | 0 | 0 | 110.4 | S290 Q291 T297 V298 P361 L365 E416 L420 | S290-V294 WeakPolarHBondContact O-CG2 3.44Å; S290-V294 PolarHBondContact O-N 3.07Å; Q291-V294 WeakPolarHBondContact O-CB 3.36Å; Q291-V294 PolarHBondContact O-N 2.96Å; V294-T297 PolarHBondContact O-N 2.92Å; V294-V298 HydrophobicContact CG1-CG2 4.21Å; V294-V298 WeakPolarHBondContact O-CB 3.28Å; V294-V298 WeakPolarHBondContact O-CG2 3.5Å; V294-V298 PolarHBondContact O-N 3.07Å; V294-P361 HydrophobicContact CG2-CB 3.86Å; V294-L365 HydrophobicContact CB-CD1 4.35Å; V294-L365 HydrophobicContact CG1-CD1 3.79Å; V294-L365 HydrophobicContact CG2-CD1 3.98Å; V294-E416 HydrophobicContact CG2-CB 4.39Å; V294-L420 HydrophobicContact CG1-CD1 4.31Å |
| 295 | H | 98.3 | Very high | 95 | Very high | 2 Ų | 2 | 22.7 Ų | 22.7 | 1% | 0.009 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -63.7 | -46.4 | 179 | -68.8 | -176.2 | 0 | 0 | 0 | 112.3 | L202 F206 Q291 Q292 T297 V298 I299 E419 | L202-H295 HydrophobicContact CD1-CB 4.48Å; L202-H295 HydrophobicContact CD2-CB 4.3Å; L202-H295 HydrophobicContact CG-CB 4.14Å; F206-H295 HydrophobicContact CB-CB 4.1Å; F206-H295 AromaticContact CD1-CD2 3.74Å; F206-H295 AromaticContact CD1-CE1 3.71Å; F206-H295 AromaticContact CD1-NE2 3.54Å; F206-H295 HydrophobicContact CD2-CB 3.98Å; F206-H295 AromaticContact CD2-CD2 3.49Å; F206-H295 VanDerWaalsContact CD2-CD2 3.49Å; F206-H295 WeakPolarHBondContact CD2-CD2 3.37Å; F206-H295 AromaticContact CD2-CG 3.76Å; F206-H295 AromaticContact CE1-CD2 3.69Å; F206-H295 AromaticContact CE1-CE1 3.92Å; F206-H295 AromaticContact CE1-NE2 3.33Å; F206-H295 VanDerWaalsContact CE1-NE2 3.33Å; F206-H295 WeakPolarHBondContact CE1-NE2 3.45Å; F206-H295 AromaticContact CE2-CD2 3.42Å; F206-H295 VanDerWaalsContact CE2-CD2 3.42Å; F206-H295 WeakPolarHBondContact CE2-CD2 3.33Å; F206-H295 AromaticContact CE2-NE2 3.95Å; F206-H295 HydrophobicContact CG-CB 4.09Å; F206-H295 AromaticContact CG-CD2 3.64Å; F206-H295 AromaticContact CG-CG 3.65Å; F206-H295 AromaticContact CG-ND1 3.99Å; F206-H295 AromaticContact CG-NE2 3.94Å; F206-H295 AromaticContact CZ-CD2 3.52Å; F206-H295 AromaticContact CZ-NE2 3.55Å; Q291-H295 WeakPolarHBondContact CG-NE2 3.46Å; Q291-H295 PolarHBondContact O-CD2 3.27Å; Q291-H295 PolarHBondContact O-N 2.94Å; Q292-H295 PolarHBondContact O-N 3.04Å; H295-T297 VanDerWaalsContact C-N 3.34Å; H295-T297 PolarHBondContact O-N 3.31Å; H295-V298 PolarHBondContact O-N 3.42Å; H295-I299 WeakPolarHBondContact O-CD1 3.3Å; H295-I299 VanDerWaalsContact O-CG1 3.26Å; H295-I299 WeakPolarHBondContact O-CG1 3.45Å; H295-I299 PolarHBondContact O-N 2.74Å; H295-E419 IonicContact CD2-OE1 2.68Å; H295-E419 IonicContact CE1-OE1 2.7Å; H295-E419 IonicContact NE2-OE1 3.96Å; H295-E419 PolarHBondContact NE2-OE1 3.28Å |
| 296 | I | 98.6 | Very high | 95.1 | Very high | 1 Ų | 1 | 25.1 Ų | 25.1 | 1% | 0.005 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -55.5 | -48.6 | 172.9 | -74.4 | 162.7 | 0 | 0 | 0 | 110.7 | L202 F248 F252 F279 F288 Q292 L293 V298 I299 N300 F336 | L202-I296 HydrophobicContact CD1-CG1 4Å; L202-I296 HydrophobicContact CD2-CD1 4.46Å; L202-I296 HydrophobicContact CD2-CG1 4.18Å; F248-I296 HydrophobicContact CE1-CD1 3.93Å; F252-I296 HydrophobicContact CD1-CG1 4.43Å; F252-I296 HydrophobicContact CE1-CB 4.34Å; F252-I296 HydrophobicContact CE1-CG1 4.01Å; F252-I296 HydrophobicContact CE1-CG2 4.41Å; F252-I296 HydrophobicContact CE2-CG2 3.88Å; F252-I296 HydrophobicContact CZ-CB 4.07Å; F252-I296 HydrophobicContact CZ-CG1 4.19Å; F252-I296 HydrophobicContact CZ-CG2 3.74Å; F252-I296 WeakPolarHBondContact CZ-O 3.5Å; F279-I296 HydrophobicContact CE2-CD1 4.4Å; F288-I296 HydrophobicContact CD1-CD1 4.35Å; F288-I296 HydrophobicContact CE1-CD1 4.19Å; Q292-I296 WeakPolarHBondContact O-CB 3.36Å; Q292-I296 WeakPolarHBondContact O-CD1 3.31Å; Q292-I296 VanDerWaalsContact O-CG1 3.28Å; Q292-I296 WeakPolarHBondContact O-CG1 3.42Å; Q292-I296 PolarHBondContact O-N 3.34Å; L293-I296 HydrophobicContact CD2-CD1 4.19Å; I296-V298 PolarHBondContact O-N 2.75Å; I296-I299 PolarHBondContact O-N 2.62Å; I296-N300 PolarHBondContact O-N 3.25Å; I296-N300 VanDerWaalsContact O-N 3.12Å; I296-F336 HydrophobicContact CG2-CD2 3.71Å; I296-F336 HydrophobicContact CG2-CE2 3.73Å |
| 297 | T | 98.6 | Very high | 95.2 | Very high | 4 Ų | 4 | 21 Ų | 21 | 3% | 0.025 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -62.8 | -43.5 | 179.4 | -57 | 0 | 0 | 0 | 0 | 111.3 | L293 V294 H295 I299 N300 L301 F333 A362 L365 S366 | L293-T297 VanDerWaalsContact O-CB 3.29Å; L293-T297 WeakPolarHBondContact O-CB 3.39Å; L293-T297 PolarHBondContact O-N 3.07Å; L293-T297 PolarHBondContact O-OG1 3.16Å; V294-T297 PolarHBondContact O-N 2.92Å; H295-T297 VanDerWaalsContact C-N 3.34Å; H295-T297 PolarHBondContact O-N 3.31Å; T297-I299 PolarHBondContact O-N 2.61Å; T297-N300 WeakPolarHBondContact O-CB 3.44Å; T297-N300 PolarHBondContact O-N 3.3Å; T297-L301 HydrophobicContact CG2-CD1 4.33Å; T297-L301 HydrophobicContact CG2-CG 4.37Å; T297-L301 VanDerWaalsContact O-CG 3.32Å; T297-L301 WeakPolarHBondContact O-CG 3.3Å; T297-L301 PolarHBondContact O-N 2.94Å; T297-F333 HydrophobicContact CG2-CE2 4.39Å; T297-A362 WeakPolarHBondContact OG1-CB 3.22Å; T297-L365 HydrophobicContact CG2-CB 4.42Å; T297-S366 WeakPolarHBondContact CG2-OG 3.37Å |
| 298 | V | 98.4 | Very high | 95 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -70.3 | -30.6 | -178.1 | 171.1 | 0 | 0 | 0 | 0 | 112.6 | F206 V294 H295 I296 L301 F302 L365 L420 F423 | F206-V298 HydrophobicContact CD2-CB 4.05Å; F206-V298 HydrophobicContact CD2-CG1 3.86Å; F206-V298 HydrophobicContact CE2-CB 3.91Å; F206-V298 HydrophobicContact CE2-CG1 3.66Å; F206-V298 HydrophobicContact CE2-CG2 4.3Å; V294-V298 HydrophobicContact CG1-CG2 4.21Å; V294-V298 WeakPolarHBondContact O-CB 3.28Å; V294-V298 WeakPolarHBondContact O-CG2 3.5Å; V294-V298 PolarHBondContact O-N 3.07Å; H295-V298 PolarHBondContact O-N 3.42Å; I296-V298 PolarHBondContact O-N 2.75Å; V298-L301 PolarHBondContact O-N 2.92Å; V298-F302 VanDerWaalsContact O-CB 3.26Å; V298-F302 WeakPolarHBondContact O-CB 3.34Å; V298-F302 PolarHBondContact O-N 3.5Å; V298-L365 HydrophobicContact CG2-CD1 4.48Å; V298-L420 HydrophobicContact CB-CD2 4.43Å; V298-L420 HydrophobicContact CG1-CD2 4.01Å; V298-L420 HydrophobicContact CG2-CD1 3.47Å; V298-L420 VanDerWaalsContact CG2-CD1 3.47Å; V298-L420 HydrophobicContact CG2-CD2 3.63Å; V298-L420 HydrophobicContact CG2-CG 4.21Å; V298-F423 HydrophobicContact CG1-CE1 4Å; V298-F423 HydrophobicContact CG1-CE2 4.07Å; V298-F423 HydrophobicContact CG1-CZ 3.74Å |
| 299 | I | 98.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -69.6 | -42.6 | 172.2 | -64.2 | 161.5 | 0 | 0 | 0 | 110.3 | L202 I205 F206 F252 H295 I296 T297 L301 F302 E303 | L202-I299 HydrophobicContact CD1-CD1 3.74Å; I205-I299 HydrophobicContact CB-CD1 4.23Å; I205-I299 HydrophobicContact CG2-CD1 3.9Å; I205-I299 HydrophobicContact CG2-CG1 4.2Å; I205-I299 HydrophobicContact CG2-CG2 4.18Å; F206-I299 HydrophobicContact CB-CD1 4.13Å; F206-I299 HydrophobicContact CB-CG1 4.33Å; F252-I299 HydrophobicContact CE1-CB 4.18Å; F252-I299 HydrophobicContact CE1-CD1 3.99Å; F252-I299 HydrophobicContact CE1-CG2 4.19Å; F252-I299 HydrophobicContact CZ-CB 4.19Å; F252-I299 HydrophobicContact CZ-CG2 4.27Å; H295-I299 WeakPolarHBondContact O-CD1 3.3Å; H295-I299 VanDerWaalsContact O-CG1 3.26Å; H295-I299 WeakPolarHBondContact O-CG1 3.45Å; H295-I299 PolarHBondContact O-N 2.74Å; I296-I299 PolarHBondContact O-N 2.62Å; T297-I299 PolarHBondContact O-N 2.61Å; I299-L301 PolarHBondContact O-N 3.5Å; I299-F302 WeakPolarHBondContact O-CB 3.3Å; I299-F302 PolarHBondContact O-N 3.33Å; I299-E303 PolarHBondContact O-N 3.17Å; I299-E303 VanDerWaalsContact O-N 3.11Å |
| 300 | N | 98.4 | Very high | 92.2 | Very high | 2 Ų | 2 | 24.5 Ų | 24.5 | 1% | 0.011 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -56.6 | -49.3 | 170.1 | -77.5 | -27.4 | 0 | 0 | 0 | 111.6 | H256 I296 T297 F302 E303 L304 F333 | H256-N300 PolarHBondContact CE1-OD1 3.33Å; H256-N300 VanDerWaalsContact CE1-OD1 3.23Å; H256-N300 PolarHBondContact NE2-OD1 3.06Å; I296-N300 PolarHBondContact O-N 3.25Å; I296-N300 VanDerWaalsContact O-N 3.12Å; T297-N300 WeakPolarHBondContact O-CB 3.44Å; T297-N300 PolarHBondContact O-N 3.3Å; N300-F302 VanDerWaalsContact C-N 3.32Å; N300-F302 PolarHBondContact O-N 3.3Å; N300-E303 PolarHBondContact O-N 3.44Å; N300-L304 WeakPolarHBondContact O-CB 3.36Å; N300-L304 VanDerWaalsContact O-CG 3.29Å; N300-L304 WeakPolarHBondContact O-CG 3.46Å; N300-L304 PolarHBondContact O-N 2.94Å; N300-F333 HydrophobicContact CB-CB 4.42Å; N300-F333 HydrophobicContact CB-CD2 4.01Å |
| 301 | L | 97.5 | Very high | 90.3 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -65.7 | -31.8 | 179.3 | -67.5 | -172 | 0 | 0 | 0 | 113.3 | T297 V298 I299 L304 H305 F333 W369 F423 L426 | T297-L301 HydrophobicContact CG2-CD1 4.33Å; T297-L301 HydrophobicContact CG2-CG 4.37Å; T297-L301 VanDerWaalsContact O-CG 3.32Å; T297-L301 WeakPolarHBondContact O-CG 3.3Å; T297-L301 PolarHBondContact O-N 2.94Å; V298-L301 PolarHBondContact O-N 2.92Å; I299-L301 PolarHBondContact O-N 3.5Å; L301-L304 HydrophobicContact CD2-CD1 4.41Å; L301-H305 VanDerWaalsContact O-CB 3.23Å; L301-H305 WeakPolarHBondContact O-CB 3.31Å; L301-H305 PolarHBondContact O-N 3.13Å; L301-H305 VanDerWaalsContact O-N 3.07Å; L301-F333 HydrophobicContact CD2-CD2 4.16Å; L301-F333 HydrophobicContact CD2-CE2 3.47Å; L301-F333 VanDerWaalsContact CD2-CE2 3.47Å; L301-F333 HydrophobicContact CD2-CZ 3.85Å; L301-F333 HydrophobicContact CG-CE2 4.23Å; L301-W369 HydrophobicContact CD1-CB 3.9Å; L301-W369 HydrophobicContact CD1-CG 4.28Å; L301-W369 HydrophobicContact CD2-CB 3.62Å; L301-W369 HydrophobicContact CD2-CD2 3.46Å; L301-W369 VanDerWaalsContact CD2-CD2 3.46Å; L301-W369 HydrophobicContact CD2-CE3 3.8Å; L301-W369 HydrophobicContact CD2-CG 3.37Å; L301-W369 HydrophobicContact CG-CB 4.4Å; L301-W369 HydrophobicContact CG-CG 4.36Å; L301-F423 HydrophobicContact CB-CE1 4.16Å; L301-F423 HydrophobicContact CB-CZ 4.34Å; L301-L426 HydrophobicContact CD1-CD1 4.1Å; L301-L426 HydrophobicContact CD1-CD2 4.06Å; L301-L426 HydrophobicContact CD1-CG 4.18Å |
| 302 | F | 97.4 | Very high | 88.2 | Confident | 5 Ų | 5 | 27.3 Ų | 27.3 | 2% | 0.022 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63.2 | -51.7 | 174.2 | 166.9 | -100.4 | 0 | 0 | 0 | 110.8 | C209 I212 A213 L225 Y260 V298 I299 N300 H305 H306 F423 | C209-F302 HydrophobicContact CB-CB 3.93Å; C209-F302 HydrophobicContact CB-CD1 3.78Å; C209-F302 HydrophobicContact CB-CD2 3.78Å; C209-F302 HydrophobicContact CB-CE1 4.25Å; C209-F302 HydrophobicContact CB-CE2 4.25Å; C209-F302 HydrophobicContact CB-CG 3.53Å; C209-F302 HydrophobicContact CB-CZ 4.47Å; C209-F302 WeakPolarHBondContact SG-CD1 3.44Å; I212-F302 HydrophobicContact CB-CE2 3.85Å; I212-F302 HydrophobicContact CB-CZ 4.19Å; I212-F302 HydrophobicContact CD1-CE2 4.5Å; I212-F302 HydrophobicContact CD1-CZ 4.01Å; I212-F302 HydrophobicContact CG2-CE2 3.82Å; I212-F302 HydrophobicContact CG2-CZ 4.06Å; A213-F302 HydrophobicContact CB-CD2 3.69Å; A213-F302 HydrophobicContact CB-CE2 4.02Å; L225-F302 HydrophobicContact CD2-CE1 3.93Å; L225-F302 HydrophobicContact CD2-CZ 4.14Å; Y260-F302 HydrophobicContact CD2-CE1 4.15Å; Y260-F302 AromaticContact CE2-CE1 3.98Å; Y260-F302 HydrophobicContact CE2-CE1 3.98Å; Y260-F302 HydrophobicContact CE2-CZ 4.11Å; V298-F302 VanDerWaalsContact O-CB 3.26Å; V298-F302 WeakPolarHBondContact O-CB 3.34Å; V298-F302 PolarHBondContact O-N 3.5Å; I299-F302 WeakPolarHBondContact O-CB 3.3Å; I299-F302 PolarHBondContact O-N 3.33Å; N300-F302 VanDerWaalsContact C-N 3.32Å; N300-F302 PolarHBondContact O-N 3.3Å; F302-H305 PolarHBondContact O-N 3.3Å; F302-H306 WeakPolarHBondContact O-CB 3.41Å; F302-H306 PolarHBondContact O-N 2.81Å; F302-F423 HydrophobicContact CB-CE2 4.29Å; F302-F423 HydrophobicContact CB-CZ 4.16Å |
| 303 | E | 95.5 | Very high | 85.6 | Confident | 3 Ų | 3 | 29.8 Ų | 29.8 | 1% | 0.014 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -72.8 | -34.2 | -178.3 | -68.6 | -167.2 | 178.4 | 0 | 0 | 112.8 | H256 V259 Y260 I299 N300 H305 H306 L307 L329 | H256-E303 VanDerWaalsContact CB-OE1 3.27Å; H256-E303 WeakPolarHBondContact CB-OE1 3.48Å; H256-E303 IonicContact CE1-OE2 3.61Å; H256-E303 IonicContact CG-OE1 2.65Å; H256-E303 IonicContact CG-OE2 3.77Å; H256-E303 IonicContact ND1-OE1 2.68Å; H256-E303 PolarHBondContact ND1-OE1 2.92Å; H256-E303 IonicContact ND1-OE2 2.72Å; H256-E303 PolarHBondContact ND1-OE2 2.8Å; V259-E303 WeakPolarHBondContact CB-OE2 3.29Å; V259-E303 VanDerWaalsContact CG1-OE2 3.3Å; V259-E303 WeakPolarHBondContact CG1-OE2 3.39Å; Y260-E303 WeakPolarHBondContact CB-OE1 3.27Å; I299-E303 PolarHBondContact O-N 3.17Å; I299-E303 VanDerWaalsContact O-N 3.11Å; N300-E303 PolarHBondContact O-N 3.44Å; E303-H305 VanDerWaalsContact C-N 3.29Å; E303-H305 PolarHBondContact O-N 3.19Å; E303-H306 PolarHBondContact O-N 2.79Å; E303-L307 WeakPolarHBondContact O-CB 3.42Å; E303-L307 WeakPolarHBondContact O-CG 3.46Å; E303-L307 PolarHBondContact O-N 3.15Å; E303-L329 HydrophobicContact CB-CD2 3.45Å; E303-L329 VanDerWaalsContact CB-CD2 3.45Å |
| 304 | L | 95.4 | Very high | 83.2 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59.6 | -42.3 | 171.3 | -74.3 | 166.7 | 0 | 0 | 0 | 111.1 | N300 L301 R308 W326 L329 L330 F333 W369 | N300-L304 WeakPolarHBondContact O-CB 3.36Å; N300-L304 VanDerWaalsContact O-CG 3.29Å; N300-L304 WeakPolarHBondContact O-CG 3.46Å; N300-L304 PolarHBondContact O-N 2.94Å; L301-L304 HydrophobicContact CD2-CD1 4.41Å; L304-R308 PolarHBondContact O-N 3.01Å; L304-R308 VanDerWaalsContact O-N 3.08Å; L304-W326 HydrophobicContact CB-CZ3 4.34Å; L304-W326 HydrophobicContact CD2-CE3 3.91Å; L304-W326 HydrophobicContact CD2-CH2 4.3Å; L304-W326 HydrophobicContact CD2-CZ3 3.75Å; L304-L329 HydrophobicContact CB-CD2 4.42Å; L304-L329 HydrophobicContact CD2-CB 4.36Å; L304-L329 HydrophobicContact CD2-CD2 3.84Å; L304-L329 HydrophobicContact CD2-CG 3.81Å; L304-L329 HydrophobicContact CG-CD2 3.7Å; L304-L329 HydrophobicContact CG-CG 3.84Å; L304-L330 HydrophobicContact CD2-CB 4.01Å; L304-L330 HydrophobicContact CD2-CD1 4.33Å; L304-F333 HydrophobicContact CD1-CB 4.01Å; L304-F333 HydrophobicContact CD1-CD1 4.21Å; L304-F333 HydrophobicContact CD1-CD2 4.21Å; L304-F333 HydrophobicContact CD1-CG 3.88Å; L304-W369 HydrophobicContact CB-CH2 3.96Å; L304-W369 HydrophobicContact CB-CZ2 3.72Å; L304-W369 HydrophobicContact CD1-CH2 3.75Å; L304-W369 HydrophobicContact CD1-CZ2 4.22Å; L304-W369 HydrophobicContact CD1-CZ3 3.94Å; L304-W369 HydrophobicContact CD2-CH2 4.36Å; L304-W369 HydrophobicContact CG-CH2 4.24Å; L304-W369 HydrophobicContact CG-CZ2 4.47Å |
| 305 | H | 92.6 | Very high | 80.8 | Confident | 16 Ų | 16 | 35.3 Ų | 35.3 | 7% | 0.074 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -69.4 | -35.1 | 175.3 | -173.6 | 14 | 0 | 0 | 0 | 113 | L301 F302 E303 R308 D309 L424 A425 | L301-H305 VanDerWaalsContact O-CB 3.23Å; L301-H305 WeakPolarHBondContact O-CB 3.31Å; L301-H305 PolarHBondContact O-N 3.13Å; L301-H305 VanDerWaalsContact O-N 3.07Å; F302-H305 PolarHBondContact O-N 3.3Å; E303-H305 VanDerWaalsContact C-N 3.29Å; E303-H305 PolarHBondContact O-N 3.19Å; H305-R308 CarbonylContact C-O 3.59Å; H305-R308 CarbonylContact O-C 3.53Å; H305-R308 VanDerWaalsContact O-C 3.23Å; H305-D309 IonicContact CE1-OD1 2.66Å; H305-D309 PolarHBondContact CE1-OD1 3.46Å; H305-D309 IonicContact ND1-OD1 2.69Å; H305-D309 PolarHBondContact ND1-OD1 2.94Å; H305-L424 WeakPolarHBondContact NE2-CB 3.25Å; H305-A425 HydrophobicContact CB-CB 3.92Å; H305-A425 VanDerWaalsContact CD2-CA 3.48Å; H305-A425 WeakPolarHBondContact CD2-CA 3.36Å; H305-A425 PolarHBondContact CD2-N 3.4Å; H305-A425 VanDerWaalsContact CD2-N 3.3Å |
| 306 | H | 89.8 | Confident | 78.7 | Confident | 110 Ų | 110 | 41.1 Ų | 41.1 | 51% | 0.509 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -71.4 | -36.3 | 177.9 | -169.8 | 52.7 | 0 | 0 | 0 | 112.5 | Y260 F302 E303 | Y260-H306 AromaticContact CD2-CD2 3.74Å; Y260-H306 AromaticContact CE2-CD2 3.67Å; Y260-H306 AromaticContact CE2-NE2 3.61Å; F302-H306 WeakPolarHBondContact O-CB 3.41Å; F302-H306 PolarHBondContact O-N 2.81Å; E303-H306 PolarHBondContact O-N 2.79Å |
| 307 | L | 89.3 | Confident | 76.7 | Confident | 22 Ų | 22 | 41.8 Ų | 41.8 | 12% | 0.115 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -73.5 | -36.1 | 175.1 | -71.8 | 177.5 | 0 | 0 | 0 | 112.9 | V259 E303 Q322 W326 L329 | V259-L307 HydrophobicContact CG1-CD1 3.9Å; V259-L307 HydrophobicContact CG1-CD2 4.38Å; V259-L307 HydrophobicContact CG1-CG 4.38Å; E303-L307 WeakPolarHBondContact O-CB 3.42Å; E303-L307 WeakPolarHBondContact O-CG 3.46Å; E303-L307 PolarHBondContact O-N 3.15Å; L307-Q322 HydrophobicContact CD2-CG 4.27Å; L307-Q322 PolarHBondContact O-NE2 2.85Å; L307-W326 HydrophobicContact CB-CE3 4.24Å; L307-W326 HydrophobicContact CD1-CB 4.34Å; L307-L329 HydrophobicContact CD1-CD2 3.96Å |
| 308 | R | 85.5 | Confident | 74.9 | Confident | 35 Ų | 35 | 47.2 Ų | 47.2 | 13% | 0.132 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -139.5 | 115.5 | 174.9 | -63 | -168.3 | -170 | 175.9 | 7.1 | 110.7 | L304 H305 W326 R373 E379 | L304-R308 PolarHBondContact O-N 3.01Å; L304-R308 VanDerWaalsContact O-N 3.08Å; H305-R308 CarbonylContact C-O 3.59Å; H305-R308 CarbonylContact O-C 3.53Å; H305-R308 VanDerWaalsContact O-C 3.23Å; R308-W326 HydrophobicContact CB-CE3 4.21Å; R308-W326 HydrophobicContact CB-CH2 4.32Å; R308-W326 HydrophobicContact CB-CZ3 3.8Å; R308-W326 HydrophobicContact CG-CD2 4.22Å; R308-W326 HydrophobicContact CG-CE3 3.71Å; R308-W326 HydrophobicContact CG-CH2 4.34Å; R308-W326 HydrophobicContact CG-CZ3 3.78Å; R308-R373 PolarHBondContact O-NH2 2.99Å; R308-E379 IonicContact CZ-OE1 3.77Å; R308-E379 IonicContact NH1-OE1 3.6Å; R308-E379 PolarHBondContact NH1-OE1 3.06Å; R308-E379 IonicContact NH2-OE1 2.74Å; R308-E379 PolarHBondContact NH2-OE1 2.93Å; R308-E379 VanDerWaalsContact NH2-OE1 3.13Å; R308-E379 IonicContact NH2-OE2 2.69Å |
| 309 | D | 69.9 | Low | 73.7 | Confident | 89 Ų | 89 | 49 Ų | 49 | 48% | 0.476 | 31% | 0.309 | S | S | . | . | trans | -75.1 | 156.8 | -173 | -138.6 | -27.8 | 0 | 0 | 0 | 113.1 | H305 T311 A312 R373 | H305-D309 IonicContact CE1-OD1 2.66Å; H305-D309 PolarHBondContact CE1-OD1 3.46Å; H305-D309 IonicContact ND1-OD1 2.69Å; H305-D309 PolarHBondContact ND1-OD1 2.94Å; D309-T311 PolarHBondContact O-N 3.19Å; D309-A312 HydrophobicContact CB-CB 4.28Å; D309-A312 PolarHBondContact O-N 3.33Å; D309-R373 PolarHBondContact O-NH1 2.98Å; D309-R373 PolarHBondContact O-NH2 3.34Å | ||
| 310 | L | 57.5 | Low | 72.9 | Confident | 49 Ų | 49 | 52.4 Ų | 52.4 | 26% | 0.257 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -17.3 | -175.9 | -92.5 | 167.2 | 0 | 0 | 0 | 113.5 | P428 | L310-P428 HydrophobicContact CD1-CG 4.29Š|
| 311 | T | 50.6 | Low | 72.2 | Confident | 134 Ų | 134 | 58.6 Ų | 58.6 | 82% | 0.822 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.5 | -2.7 | 174.5 | 50.1 | 0 | 0 | 0 | 0 | 113.8 | D309 D313 | D309-T311 PolarHBondContact O-N 3.19Å; T311-D313 VanDerWaalsContact C-N 3.29Å; T311-D313 PolarHBondContact O-N 3.21Å |
| 312 | A | 51 | Low | 71.6 | Confident | 43 Ų | 43 | 61.4 Ų | 61.4 | 36% | 0.355 | 38% | 0.379 | S | S | . | . | trans | -93.7 | 33.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | D309 G314 G315 | D309-A312 HydrophobicContact CB-CB 4.28Å; D309-A312 PolarHBondContact O-N 3.33Å; A312-G314 PolarHBondContact O-N 2.88Å; A312-G314 VanDerWaalsContact O-N 3.12Å; A312-G315 PolarHBondContact O-N 3Å | ||
| 313 | D | 40.3 | Very low | 71.2 | Confident | 105 Ų | 105 | 65.6 Ų | 65.6 | 56% | 0.561 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | 105.7 | -179.2 | -154.6 | 36.1 | 0 | 0 | 0 | 109.3 | T311 S375 | T311-D313 VanDerWaalsContact C-N 3.29Å; T311-D313 PolarHBondContact O-N 3.21Å; D313-S375 WeakPolarHBondContact OD1-CB 3.48Å; D313-S375 PolarHBondContact OD1-OG 3.39Å |
| 314 | G | 47 | Very low | 71 | Confident | 83 Ų | 83 | 68.5 Ų | 68.5 | 86% | 0.856 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 105.5 | 0.1 | -168.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | A312 | A312-G314 PolarHBondContact O-N 2.88Å; A312-G314 VanDerWaalsContact O-N 3.12Å |
| 315 | G | 46.4 | Very low | 70.9 | Confident | 39 Ų | 39 | 68.5 Ų | 68.5 | 40% | 0.402 | 42% | 0.417 | S | S | . | . | trans | -89.3 | 104.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | A312 | A312-G315 PolarHBondContact O-N 3Š| ||
| 316 | E | 55.1 | Low | 71 | Confident | 124 Ų | 124 | 67.9 Ų | 67.9 | 58% | 0.579 | 41% | 0.414 | S | S | * | . | trans | -55.8 | 143.2 | 165 | -89.6 | -67.6 | 104.5 | 0 | 0 | 110.5 | S318 Q323 | E316-S318 PolarHBondContact O-N 3.06Å; E316-Q323 PolarHBondContact OE2-NE2 3.26Å | ||
| 317 | P | 56.8 | Low | 71.2 | Confident | 15 Ų | 15 | 66.1 Ų | 66.1 | 10% | 0.097 | 41% | 0.405 | C | S | . | . | trans | -59.5 | 131.1 | 178.8 | 24.4 | -32.8 | 0 | 0 | 0 | 110.7 | G319 Q322 Q323 | P317-G319 PolarHBondContact O-N 3.02Å; P317-Q322 HydrophobicContact CB-CB 3.99Å; P317-Q322 HydrophobicContact CB-CG 3.76Å; P317-Q323 HydrophobicContact CB-CB 4.38Å; P317-Q323 HydrophobicContact CG-CB 3.67Å; P317-Q323 HydrophobicContact CG-CG 3.75Å | ||
| 318 | S | 59 | Low | 71.6 | Confident | 118 Ų | 118 | 65.7 Ų | 65.7 | 83% | 0.825 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -80.8 | 45.5 | -170.2 | -62.7 | 0 | 0 | 0 | 0 | 113.1 | E316 | E316-S318 PolarHBondContact O-N 3.06Š|
| 319 | G | 73.4 | Confident | 72.2 | Confident | 37 Ų | 37 | 64 Ų | 64 | 38% | 0.381 | 40% | 0.396 | S | S | . | . | S | Bend | trans | 161.2 | 144.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | P317 E321 Q322 Q323 | P317-G319 PolarHBondContact O-N 3.02Å; G319-E321 PolarHBondContact O-N 3.24Å; G319-Q322 PolarHBondContact O-N 2.9Å; G319-Q323 PolarHBondContact O-N 2.63Å |
| 320 | A | 82.1 | Confident | 73.4 | Confident | 72 Ų | 72 | 59.8 Ų | 59.8 | 60% | 0.595 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -57.9 | -35.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q323 V324 | A320-Q323 WeakPolarHBondContact O-CB 3.45Å; A320-Q323 PolarHBondContact O-N 3.06Å; A320-V324 WeakPolarHBondContact O-CG2 3.44Å; A320-V324 PolarHBondContact O-N 3.49Å |
| 321 | E | 83.5 | Confident | 75.3 | Confident | 131 Ų | 131 | 57.5 Ų | 57.5 | 61% | 0.612 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -60.9 | -44.9 | 174.4 | -66.4 | -178 | 169.9 | 0 | 0 | 112.2 | L265 G319 Q323 V324 S325 | L265-E321 HydrophobicContact CD1-CB 3.61Å; L265-E321 HydrophobicContact CD1-CG 3.97Å; G319-E321 PolarHBondContact O-N 3.24Å; E321-Q323 VanDerWaalsContact C-N 3.33Å; E321-Q323 PolarHBondContact O-N 3.29Å; E321-V324 PolarHBondContact O-N 3.28Å; E321-S325 PolarHBondContact O-N 2.92Å; E321-S325 PolarHBondContact O-OG 3.28Å |
| 322 | Q | 85.5 | Confident | 77.6 | Confident | 60 Ų | 60 | 51.1 Ų | 51.1 | 28% | 0.28 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -67.5 | -34 | 176.2 | -171.1 | -176.4 | 6.9 | 0 | 0 | 111.5 | L307 P317 G319 W326 | L307-Q322 HydrophobicContact CD2-CG 4.27Å; L307-Q322 PolarHBondContact O-NE2 2.85Å; P317-Q322 HydrophobicContact CB-CB 3.99Å; P317-Q322 HydrophobicContact CB-CG 3.76Å; G319-Q322 PolarHBondContact O-N 2.9Å; Q322-W326 VanDerWaalsContact O-CB 3.25Å; Q322-W326 WeakPolarHBondContact O-CB 3.31Å; Q322-W326 PolarHBondContact O-N 2.88Å |
| 323 | Q | 88.7 | Confident | 79.8 | Confident | 93 Ų | 93 | 49.1 Ų | 49.1 | 44% | 0.435 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -67.5 | -42.2 | 175 | -161 | 176.8 | 44.5 | 0 | 0 | 112 | E316 P317 G319 A320 E321 W326 F327 | E316-Q323 PolarHBondContact OE2-NE2 3.26Å; P317-Q323 HydrophobicContact CB-CB 4.38Å; P317-Q323 HydrophobicContact CG-CB 3.67Å; P317-Q323 HydrophobicContact CG-CG 3.75Å; G319-Q323 PolarHBondContact O-N 2.63Å; A320-Q323 WeakPolarHBondContact O-CB 3.45Å; A320-Q323 PolarHBondContact O-N 3.06Å; E321-Q323 VanDerWaalsContact C-N 3.33Å; E321-Q323 PolarHBondContact O-N 3.29Å; Q323-W326 PolarHBondContact O-N 3.2Å; Q323-F327 WeakPolarHBondContact O-CB 3.48Å; Q323-F327 PolarHBondContact O-N 3.41Å |
| 324 | V | 91.8 | Very high | 82.5 | Confident | 64 Ų | 64 | 44.1 Ų | 44.1 | 39% | 0.388 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62.9 | -51.4 | 173.3 | 170.3 | 0 | 0 | 0 | 0 | 110.7 | L265 A320 E321 W326 F327 Q328 | L265-V324 HydrophobicContact CB-CG1 4.49Å; A320-V324 WeakPolarHBondContact O-CG2 3.44Å; A320-V324 PolarHBondContact O-N 3.49Å; E321-V324 PolarHBondContact O-N 3.28Å; V324-W326 VanDerWaalsContact C-N 3.29Å; V324-W326 PolarHBondContact O-N 3.3Å; V324-F327 PolarHBondContact O-N 2.98Å; V324-Q328 HydrophobicContact CG1-CG 4.11Å; V324-Q328 WeakPolarHBondContact O-CB 3.41Å; V324-Q328 WeakPolarHBondContact O-CG 3.47Å; V324-Q328 PolarHBondContact O-N 3.02Å |
| 325 | S | 94.3 | Very high | 84.9 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -55.6 | -43.3 | 177.2 | -72.7 | 0 | 0 | 0 | 0 | 112.4 | L265 E321 L329 | L265-S325 WeakPolarHBondContact CD2-OG 3.2Å; E321-S325 PolarHBondContact O-N 2.92Å; E321-S325 PolarHBondContact O-OG 3.28Å; S325-L329 VanDerWaalsContact O-CB 3.23Å; S325-L329 WeakPolarHBondContact O-CB 3.25Å; S325-L329 PolarHBondContact O-N 3Å |
| 326 | W | 94.2 | Very high | 87.3 | Confident | 3 Ų | 3 | 38.6 Ų | 38.6 | 1% | 0.011 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.2 | -51.2 | 175.9 | 169.5 | -92.1 | 0 | 0 | 0 | 112.6 | L304 L307 R308 Q322 Q323 V324 Q328 L329 L330 W369 I376 E379 | L304-W326 HydrophobicContact CB-CZ3 4.34Å; L304-W326 HydrophobicContact CD2-CE3 3.91Å; L304-W326 HydrophobicContact CD2-CH2 4.3Å; L304-W326 HydrophobicContact CD2-CZ3 3.75Å; L307-W326 HydrophobicContact CB-CE3 4.24Å; L307-W326 HydrophobicContact CD1-CB 4.34Å; R308-W326 HydrophobicContact CB-CE3 4.21Å; R308-W326 HydrophobicContact CB-CH2 4.32Å; R308-W326 HydrophobicContact CB-CZ3 3.8Å; R308-W326 HydrophobicContact CG-CD2 4.22Å; R308-W326 HydrophobicContact CG-CE3 3.71Å; R308-W326 HydrophobicContact CG-CH2 4.34Å; R308-W326 HydrophobicContact CG-CZ3 3.78Å; Q322-W326 VanDerWaalsContact O-CB 3.25Å; Q322-W326 WeakPolarHBondContact O-CB 3.31Å; Q322-W326 PolarHBondContact O-N 2.88Å; Q323-W326 PolarHBondContact O-N 3.2Å; V324-W326 VanDerWaalsContact C-N 3.29Å; V324-W326 PolarHBondContact O-N 3.3Å; W326-Q328 VanDerWaalsContact C-N 3.32Å; W326-Q328 PolarHBondContact O-N 2.95Å; W326-L329 PolarHBondContact O-N 3.18Å; W326-L330 HydrophobicContact CZ2-CD2 3.77Å; W326-L330 VanDerWaalsContact O-CB 3.24Å; W326-L330 WeakPolarHBondContact O-CB 3.31Å; W326-L330 PolarHBondContact O-N 2.99Å; W326-W369 HydrophobicContact CH2-CH2 4.26Å; W326-I376 HydrophobicContact CH2-CG2 4.21Å; W326-I376 HydrophobicContact CZ2-CG2 3.98Å; W326-E379 PolarHBondContact NE1-OE1 2.61Å; W326-E379 PolarHBondContact NE1-OE2 2.7Å |
| 327 | F | 94.4 | Very high | 89.3 | Confident | 72 Ų | 72 | 32.8 Ų | 32.8 | 32% | 0.316 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -60.6 | -42.7 | -179.5 | 177 | -92 | 0 | 0 | 0 | 111.8 | Q323 V324 G331 A380 A381 | Q323-F327 WeakPolarHBondContact O-CB 3.48Å; Q323-F327 PolarHBondContact O-N 3.41Å; V324-F327 PolarHBondContact O-N 2.98Å; F327-G331 PolarHBondContact O-N 3.47Å; F327-A380 HydrophobicContact CE2-CB 4.2Å; F327-A381 HydrophobicContact CD2-CB 3.82Å; F327-A381 HydrophobicContact CE2-CB 3.95Å; F327-A381 HydrophobicContact CG-CB 4.49Å |
| 328 | Q | 96.5 | Very high | 91.1 | Very high | 14 Ų | 14 | 32 Ų | 32 | 7% | 0.065 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.6 | -47 | 178.4 | -70.1 | -67.2 | -11.7 | 0 | 0 | 111.9 | F255 L268 D269 V324 W326 G331 L332 | F255-Q328 HydrophobicContact CE2-CB 4.5Å; F255-Q328 HydrophobicContact CZ-CB 4.14Å; L268-Q328 HydrophobicContact CB-CB 4.17Å; L268-Q328 HydrophobicContact CB-CG 3.83Å; L268-Q328 HydrophobicContact CD1-CB 4.16Å; L268-Q328 HydrophobicContact CD1-CG 4.18Å; D269-Q328 PolarHBondContact OD1-NE2 3.2Å; V324-Q328 HydrophobicContact CG1-CG 4.11Å; V324-Q328 WeakPolarHBondContact O-CB 3.41Å; V324-Q328 WeakPolarHBondContact O-CG 3.47Å; V324-Q328 PolarHBondContact O-N 3.02Å; W326-Q328 VanDerWaalsContact C-N 3.32Å; W326-Q328 PolarHBondContact O-N 2.95Å; Q328-G331 PolarHBondContact O-N 2.81Å; Q328-L332 PolarHBondContact O-N 3.01Å |
| 329 | L | 97.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -70.1 | -43 | -179.6 | 177.2 | 63.8 | 0 | 0 | 0 | 112.6 | F255 V259 E303 L304 L307 S325 W326 G331 L332 F333 | F255-L329 HydrophobicContact CE1-CB 4.3Å; F255-L329 HydrophobicContact CE1-CD1 3.9Å; V259-L329 HydrophobicContact CG1-CD2 4.45Å; E303-L329 HydrophobicContact CB-CD2 3.45Å; E303-L329 VanDerWaalsContact CB-CD2 3.45Å; L304-L329 HydrophobicContact CB-CD2 4.42Å; L304-L329 HydrophobicContact CD2-CB 4.36Å; L304-L329 HydrophobicContact CD2-CD2 3.84Å; L304-L329 HydrophobicContact CD2-CG 3.81Å; L304-L329 HydrophobicContact CG-CD2 3.7Å; L304-L329 HydrophobicContact CG-CG 3.84Å; L307-L329 HydrophobicContact CD1-CD2 3.96Å; S325-L329 VanDerWaalsContact O-CB 3.23Å; S325-L329 WeakPolarHBondContact O-CB 3.25Å; S325-L329 PolarHBondContact O-N 3Å; W326-L329 PolarHBondContact O-N 3.18Å; L329-G331 VanDerWaalsContact C-N 3.27Å; L329-G331 PolarHBondContact O-N 3.29Å; L329-L332 PolarHBondContact O-N 3.03Å; L329-F333 WeakPolarHBondContact O-CB 3.49Å; L329-F333 PolarHBondContact O-N 2.74Å |
| 330 | L | 96.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64.6 | -36.3 | 176 | -177 | 57.8 | 0 | 0 | 0 | 110.9 | L304 W326 F333 M334 W369 E379 A381 V382 | L304-L330 HydrophobicContact CD2-CB 4.01Å; L304-L330 HydrophobicContact CD2-CD1 4.33Å; W326-L330 HydrophobicContact CZ2-CD2 3.77Å; W326-L330 VanDerWaalsContact O-CB 3.24Å; W326-L330 WeakPolarHBondContact O-CB 3.31Å; W326-L330 PolarHBondContact O-N 2.99Å; L330-F333 HydrophobicContact CD1-CD1 4.19Å; L330-M334 HydrophobicContact CD1-CG 4.44Å; L330-M334 WeakPolarHBondContact O-CB 3.45Å; L330-M334 WeakPolarHBondContact O-CG 3.23Å; L330-M334 PolarHBondContact O-N 3.36Å; L330-W369 HydrophobicContact CD1-CH2 4.44Å; L330-W369 HydrophobicContact CD1-CZ3 4.25Å; L330-E379 HydrophobicContact CD2-CB 3.83Å; L330-E379 HydrophobicContact CD2-CG 3.97Å; L330-A381 HydrophobicContact CB-CB 4.12Å; L330-A381 HydrophobicContact CD2-CB 4.1Å; L330-A381 HydrophobicContact CG-CB 3.98Å; L330-V382 HydrophobicContact CD1-CG2 4.22Å; L330-V382 HydrophobicContact CD2-CG2 3.96Å; L330-V382 HydrophobicContact CG-CG2 4.09Å |
| 331 | G | 96.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -61.2 | -50 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | F327 Q328 L329 F333 M334 S335 R385 | F327-G331 PolarHBondContact O-N 3.47Å; Q328-G331 PolarHBondContact O-N 2.81Å; L329-G331 VanDerWaalsContact C-N 3.27Å; L329-G331 PolarHBondContact O-N 3.29Å; G331-F333 VanDerWaalsContact C-N 3.34Å; G331-F333 PolarHBondContact O-N 3.06Å; G331-M334 PolarHBondContact O-N 3.26Å; G331-S335 PolarHBondContact O-N 3.05Å; G331-R385 VanDerWaalsContact CA-NH1 3.34Å; G331-R385 VanDerWaalsContact O-CZ 3.32Å; G331-R385 PolarHBondContact O-NE 3.04Å |
| 332 | L | 98.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -57.5 | -46.8 | 177 | -171.2 | 67.5 | 0 | 0 | 0 | 111.7 | F255 R272 L275 E276 Q328 L329 S335 F336 | F255-L332 HydrophobicContact CD1-CD2 3.6Å; F255-L332 HydrophobicContact CD2-CD2 4.48Å; F255-L332 HydrophobicContact CE1-CB 4.35Å; F255-L332 HydrophobicContact CE1-CD2 3.51Å; F255-L332 HydrophobicContact CE2-CD2 4.4Å; F255-L332 HydrophobicContact CG-CD2 4.12Å; F255-L332 HydrophobicContact CZ-CB 4.2Å; F255-L332 HydrophobicContact CZ-CD2 3.93Å; R272-L332 HydrophobicContact CG-CB 4.01Å; R272-L332 HydrophobicContact CG-CD1 3.85Å; L275-L332 HydrophobicContact CB-CD1 3.88Å; L275-L332 HydrophobicContact CD1-CD1 4.44Å; L275-L332 HydrophobicContact CD1-CD2 4.31Å; E276-L332 HydrophobicContact CG-CD1 4.08Å; Q328-L332 PolarHBondContact O-N 3.01Å; L329-L332 PolarHBondContact O-N 3.03Å; L332-S335 PolarHBondContact O-N 3.24Å; L332-F336 HydrophobicContact CD1-CD1 4.03Å; L332-F336 HydrophobicContact CD1-CE1 3.41Å; L332-F336 VanDerWaalsContact CD1-CE1 3.41Å; L332-F336 HydrophobicContact CD1-CE2 4.44Å; L332-F336 HydrophobicContact CD1-CZ 3.65Å; L332-F336 HydrophobicContact CD2-CE2 4.48Å; L332-F336 HydrophobicContact CD2-CZ 4.3Å; L332-F336 HydrophobicContact CG-CD1 4.33Å; L332-F336 HydrophobicContact CG-CE1 4Å; L332-F336 HydrophobicContact CG-CE2 4.27Å; L332-F336 HydrophobicContact CG-CZ 3.97Å; L332-F336 WeakPolarHBondContact O-CB 3.37Å; L332-F336 WeakPolarHBondContact O-CD1 3.31Å; L332-F336 WeakPolarHBondContact O-CG 3.03Å; L332-F336 PolarHBondContact O-N 3.46Å |
| 333 | F | 98.1 | Very high | 94.2 | Very high | 2 Ų | 2 | 15.1 Ų | 15.1 | 1% | 0.009 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -59.1 | -47.4 | 178.2 | 168.9 | -99 | 0 | 0 | 0 | 112.3 | T297 N300 L301 L304 L329 L330 G331 F336 L337 S366 W369 L370 | T297-F333 HydrophobicContact CG2-CE2 4.39Å; N300-F333 HydrophobicContact CB-CB 4.42Å; N300-F333 HydrophobicContact CB-CD2 4.01Å; L301-F333 HydrophobicContact CD2-CD2 4.16Å; L301-F333 HydrophobicContact CD2-CE2 3.47Å; L301-F333 VanDerWaalsContact CD2-CE2 3.47Å; L301-F333 HydrophobicContact CD2-CZ 3.85Å; L301-F333 HydrophobicContact CG-CE2 4.23Å; L304-F333 HydrophobicContact CD1-CB 4.01Å; L304-F333 HydrophobicContact CD1-CD1 4.21Å; L304-F333 HydrophobicContact CD1-CD2 4.21Å; L304-F333 HydrophobicContact CD1-CG 3.88Å; L329-F333 WeakPolarHBondContact O-CB 3.49Å; L329-F333 PolarHBondContact O-N 2.74Å; L330-F333 HydrophobicContact CD1-CD1 4.19Å; G331-F333 VanDerWaalsContact C-N 3.34Å; G331-F333 PolarHBondContact O-N 3.06Å; F333-F336 PolarHBondContact O-N 3.5Å; F333-L337 PolarHBondContact O-N 3Å; F333-S366 VanDerWaalsContact CE2-OG 3.29Å; F333-S366 WeakPolarHBondContact CE2-OG 3.37Å; F333-W369 HydrophobicContact CD1-CZ3 4.46Å; F333-W369 AromaticContact CE1-CE3 3.95Å; F333-W369 HydrophobicContact CE1-CE3 3.95Å; F333-W369 AromaticContact CE1-CZ3 4Å; F333-W369 HydrophobicContact CE1-CZ3 4Å; F333-W369 AromaticContact CZ-CE3 3.94Å; F333-W369 HydrophobicContact CZ-CE3 3.94Å; F333-W369 HydrophobicContact CZ-CZ3 4.41Å; F333-L370 HydrophobicContact CE1-CD2 4Å; F333-L370 HydrophobicContact CE1-CG 4.25Å; F333-L370 HydrophobicContact CZ-CG 4.49Å |
| 334 | M | 97.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -68.4 | -38.6 | 179 | -74.7 | -57 | -55.4 | 0 | 0 | 112.7 | L330 G331 L337 G338 L370 V382 R385 W389 | L330-M334 HydrophobicContact CD1-CG 4.44Å; L330-M334 WeakPolarHBondContact O-CB 3.45Å; L330-M334 WeakPolarHBondContact O-CG 3.23Å; L330-M334 PolarHBondContact O-N 3.36Å; G331-M334 PolarHBondContact O-N 3.26Å; M334-L337 HydrophobicContact CE-CD2 4.23Å; M334-L337 PolarHBondContact O-N 2.86Å; M334-L337 HydrophobicContact SD-CD2 4.28Å; M334-G338 PolarHBondContact O-N 2.85Å; M334-L370 HydrophobicContact SD-CD2 4.19Å; M334-V382 HydrophobicContact CE-CG1 4.15Å; M334-V382 HydrophobicContact CG-CG2 4Å; M334-V382 HydrophobicContact SD-CG1 4.42Å; M334-V382 HydrophobicContact SD-CG2 4.41Å; M334-R385 HydrophobicContact CB-CB 4.2Å; M334-R385 VanDerWaalsContact CB-CD 3.45Å; M334-R385 HydrophobicContact CB-CG 4.47Å; M334-W389 HydrophobicContact CE-CZ2 4.17Å |
| 335 | S | 96.5 | Very high | 93.2 | Very high | 2 Ų | 2 | 8.4 Ų | 8.4 | 1% | 0.014 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -65.4 | -39.8 | 173 | -77.6 | 0 | 0 | 0 | 0 | 112.1 | E276 G331 L332 L337 G338 V339 R385 Y387 | E276-S335 PolarHBondContact OE1-OG 3.07Å; E276-S335 WeakPolarHBondContact OE2-CB 3.31Å; E276-S335 PolarHBondContact OE2-OG 2.73Å; G331-S335 PolarHBondContact O-N 3.05Å; L332-S335 PolarHBondContact O-N 3.24Å; S335-L337 VanDerWaalsContact C-N 3.34Å; S335-L337 PolarHBondContact O-N 3.39Å; S335-G338 PolarHBondContact O-N 3.5Å; S335-V339 WeakPolarHBondContact O-CB 3.41Å; S335-V339 WeakPolarHBondContact O-CG2 3.48Å; S335-V339 PolarHBondContact O-N 3.15Å; S335-R385 PolarHBondContact OG-NE 2.98Å; S335-Y387 PolarHBondContact OG-OH 3.43Å |
| 336 | F | 97.5 | Very high | 92.4 | Very high | 3 Ų | 3 | 9.2 Ų | 9.2 | 1% | 0.013 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -64.1 | -39.8 | 175.2 | -78.9 | 15.8 | 0 | 0 | 0 | 111.4 | F248 F252 L275 F279 I296 L332 F333 M340 | F248-F336 HydrophobicContact CE2-CZ 4.08Å; F248-F336 HydrophobicContact CZ-CE2 4.03Å; F248-F336 AromaticContact CZ-CZ 3.7Å; F248-F336 HydrophobicContact CZ-CZ 3.7Å; F252-F336 HydrophobicContact CD2-CE2 4.04Å; F252-F336 HydrophobicContact CD2-CZ 4.44Å; F252-F336 AromaticContact CE2-CE2 3.86Å; F252-F336 HydrophobicContact CE2-CE2 3.86Å; L275-F336 HydrophobicContact CB-CE1 4.44Å; L275-F336 HydrophobicContact CB-CZ 4.31Å; F279-F336 HydrophobicContact CB-CD1 4.18Å; F279-F336 HydrophobicContact CB-CE1 3.7Å; F279-F336 HydrophobicContact CB-CZ 4.14Å; F279-F336 HydrophobicContact CD1-CB 4.11Å; F279-F336 AromaticContact CD1-CD1 3.43Å; F279-F336 HydrophobicContact CD1-CD1 3.43Å; F279-F336 VanDerWaalsContact CD1-CD1 3.43Å; F279-F336 HydrophobicContact CD1-CD2 4.26Å; F279-F336 AromaticContact CD1-CE1 3.84Å; F279-F336 HydrophobicContact CD1-CE1 3.84Å; F279-F336 AromaticContact CD1-CG 3.67Å; F279-F336 HydrophobicContact CD1-CG 3.67Å; F279-F336 HydrophobicContact CD1-CZ 4.41Å; F279-F336 HydrophobicContact CD2-CE1 4.49Å; F279-F336 HydrophobicContact CD2-CE2 4.41Å; F279-F336 HydrophobicContact CD2-CZ 4.35Å; F279-F336 HydrophobicContact CE1-CB 3.69Å; F279-F336 AromaticContact CE1-CD1 3.92Å; F279-F336 HydrophobicContact CE1-CD1 3.92Å; F279-F336 HydrophobicContact CE1-CD2 4.11Å; F279-F336 AromaticContact CE1-CG 3.64Å; F279-F336 HydrophobicContact CE1-CG 3.64Å; F279-F336 HydrophobicContact CE2-CD2 4.45Å; F279-F336 AromaticContact CG-CD1 3.89Å; F279-F336 HydrophobicContact CG-CD1 3.89Å; F279-F336 AromaticContact CG-CE1 3.78Å; F279-F336 HydrophobicContact CG-CE1 3.78Å; F279-F336 HydrophobicContact CG-CE2 4.43Å; F279-F336 HydrophobicContact CG-CG 4.27Å; F279-F336 HydrophobicContact CG-CZ 4.08Å; F279-F336 HydrophobicContact CZ-CB 4.35Å; F279-F336 HydrophobicContact CZ-CD2 4.19Å; F279-F336 HydrophobicContact CZ-CG 4.19Å; I296-F336 HydrophobicContact CG2-CD2 3.71Å; I296-F336 HydrophobicContact CG2-CE2 3.73Å; L332-F336 HydrophobicContact CD1-CD1 4.03Å; L332-F336 HydrophobicContact CD1-CE1 3.41Å; L332-F336 VanDerWaalsContact CD1-CE1 3.41Å; L332-F336 HydrophobicContact CD1-CE2 4.44Å; L332-F336 HydrophobicContact CD1-CZ 3.65Å; L332-F336 HydrophobicContact CD2-CE2 4.48Å; L332-F336 HydrophobicContact CD2-CZ 4.3Å; L332-F336 HydrophobicContact CG-CD1 4.33Å; L332-F336 HydrophobicContact CG-CE1 4Å; L332-F336 HydrophobicContact CG-CE2 4.27Å; L332-F336 HydrophobicContact CG-CZ 3.97Å; L332-F336 WeakPolarHBondContact O-CB 3.37Å; L332-F336 WeakPolarHBondContact O-CD1 3.31Å; L332-F336 WeakPolarHBondContact O-CG 3.03Å; L332-F336 PolarHBondContact O-N 3.46Å; F333-F336 PolarHBondContact O-N 3.5Å; F336-M340 WeakPolarHBondContact O-CB 3.21Å; F336-M340 VanDerWaalsContact O-CG 3.29Å; F336-M340 WeakPolarHBondContact O-CG 3.39Å; F336-M340 PolarHBondContact O-N 3.42Å |
| 337 | L | 96.6 | Very high | 91.4 | Very high | 2 Ų | 2 | 9.9 Ų | 9.9 | 1% | 0.01 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -59.5 | -46.5 | 171.4 | -179.7 | 58.8 | 0 | 0 | 0 | 111.4 | F333 M334 S335 M340 C341 I363 L370 V388 | F333-L337 PolarHBondContact O-N 3Å; M334-L337 HydrophobicContact CE-CD2 4.23Å; M334-L337 PolarHBondContact O-N 2.86Å; M334-L337 HydrophobicContact SD-CD2 4.28Å; S335-L337 VanDerWaalsContact C-N 3.34Å; S335-L337 PolarHBondContact O-N 3.39Å; L337-M340 PolarHBondContact O-N 3.09Å; L337-C341 PolarHBondContact O-N 3.35Å; L337-C341 PolarHBondContact O-SG 3.01Å; L337-C341 VanDerWaalsContact O-SG 3.38Å; L337-I363 HydrophobicContact CD1-CB 4.26Å; L337-I363 HydrophobicContact CD1-CG1 4.14Å; L337-I363 HydrophobicContact CD1-CG2 4.02Å; L337-L370 HydrophobicContact CD2-CD1 3.79Å; L337-V388 HydrophobicContact CD2-CG1 4.24Å; L337-V388 HydrophobicContact CG-CG1 3.98Å |
| 338 | G | 93.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -57.7 | -51.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | M334 S335 M340 C341 G342 V388 W391 | M334-G338 PolarHBondContact O-N 2.85Å; S335-G338 PolarHBondContact O-N 3.5Å; G338-M340 VanDerWaalsContact C-N 3.3Å; G338-M340 PolarHBondContact O-N 3.5Å; G338-C341 WeakPolarHBondContact O-CB 3.26Å; G338-C341 PolarHBondContact O-N 3.28Å; G338-C341 VanDerWaalsContact O-N 3.14Å; G338-G342 PolarHBondContact O-N 3.24Å; G338-V388 VanDerWaalsContact CA-CG2 3.42Å; G338-W391 WeakPolarHBondContact O-CZ3 3.24Å |
| 339 | V | 93.2 | Very high | 88.7 | Confident | 23 Ų | 23 | 15.8 Ų | 15.8 | 14% | 0.139 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -58.2 | -40.9 | 176.7 | 164.7 | 0 | 0 | 0 | 0 | 111.8 | F279 Q280 I283 S335 R343 | F279-V339 HydrophobicContact CD1-CB 3.87Å; F279-V339 HydrophobicContact CD1-CG1 3.52Å; F279-V339 HydrophobicContact CD1-CG2 4.39Å; F279-V339 HydrophobicContact CE1-CB 4.09Å; F279-V339 HydrophobicContact CE1-CG1 3.8Å; F279-V339 HydrophobicContact CG-CG1 4.42Å; Q280-V339 HydrophobicContact CB-CG1 4.23Å; Q280-V339 HydrophobicContact CB-CG2 3.99Å; Q280-V339 HydrophobicContact CG-CG2 4.33Å; I283-V339 HydrophobicContact CB-CG1 3.93Å; I283-V339 HydrophobicContact CG1-CG1 3.93Å; I283-V339 HydrophobicContact CG2-CG1 3.9Å; S335-V339 WeakPolarHBondContact O-CB 3.41Å; S335-V339 WeakPolarHBondContact O-CG2 3.48Å; S335-V339 PolarHBondContact O-N 3.15Å; V339-R343 WeakPolarHBondContact O-CB 3.35Å; V339-R343 PolarHBondContact O-N 2.91Å; V339-R343 VanDerWaalsContact O-N 3.12Å |
| 340 | M | 93.4 | Very high | 87.2 | Confident | 3 Ų | 3 | 21.2 Ų | 21.2 | 2% | 0.015 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -66 | -40.1 | 176.2 | -73.7 | -172.3 | -62.2 | 0 | 0 | 112.1 | F279 I283 L293 F336 L337 G338 P359 A362 I363 | F279-M340 HydrophobicContact CE1-CG 4.05Å; F279-M340 HydrophobicContact CZ-CG 4.07Å; F279-M340 HydrophobicContact CZ-SD 4.34Å; I283-M340 HydrophobicContact CD1-CG 4.31Å; L293-M340 HydrophobicContact CB-SD 4.38Å; L293-M340 HydrophobicContact CD1-SD 4.08Å; F336-M340 WeakPolarHBondContact O-CB 3.21Å; F336-M340 VanDerWaalsContact O-CG 3.29Å; F336-M340 WeakPolarHBondContact O-CG 3.39Å; F336-M340 PolarHBondContact O-N 3.42Å; L337-M340 PolarHBondContact O-N 3.09Å; G338-M340 VanDerWaalsContact C-N 3.3Å; G338-M340 PolarHBondContact O-N 3.5Å; M340-P359 HydrophobicContact CB-CB 3.84Å; M340-P359 HydrophobicContact CB-CG 3.89Å; M340-P359 HydrophobicContact CG-CB 3.8Å; M340-P359 HydrophobicContact CG-CG 4.34Å; M340-P359 VanDerWaalsContact O-CG 3.25Å; M340-P359 WeakPolarHBondContact O-CG 3.5Å; M340-P359 HydrophobicContact SD-CB 3.93Å; M340-A362 HydrophobicContact CE-CB 3.91Å; M340-A362 HydrophobicContact SD-CB 3.51Å; M340-A362 VanDerWaalsContact SD-CB 3.51Å; M340-I363 HydrophobicContact CB-CD1 4.02Å; M340-I363 HydrophobicContact CB-CG1 3.83Å |
| 341 | C | 91.5 | Very high | 85.3 | Confident | 1 Ų | 1 | 24.4 Ų | 24.4 | 1% | 0.007 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -63.7 | -52.4 | 173.3 | -69.7 | 0 | 0 | 0 | 0 | 111.8 | L337 G338 R343 I344 L345 W391 I395 | L337-C341 PolarHBondContact O-N 3.35Å; L337-C341 PolarHBondContact O-SG 3.01Å; L337-C341 VanDerWaalsContact O-SG 3.38Å; G338-C341 WeakPolarHBondContact O-CB 3.26Å; G338-C341 PolarHBondContact O-N 3.28Å; G338-C341 VanDerWaalsContact O-N 3.14Å; C341-R343 VanDerWaalsContact C-N 3.26Å; C341-R343 PolarHBondContact O-N 3.27Å; C341-I344 WeakPolarHBondContact O-CB 3.48Å; C341-I344 PolarHBondContact O-N 3.39Å; C341-L345 PolarHBondContact O-N 3.36Å; C341-W391 HydrophobicContact CB-CB 3.95Å; C341-I395 HydrophobicContact CB-CD1 3.6Å |
| 342 | G | 86.7 | Confident | 83.6 | Confident | 4 Ų | 4 | 28.4 Ų | 28.4 | 4% | 0.041 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -58.2 | -35.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | G338 I344 L345 L346 | G338-G342 PolarHBondContact O-N 3.24Å; G342-I344 PolarHBondContact O-N 3.17Å; G342-L345 PolarHBondContact O-N 3.44Å; G342-L346 PolarHBondContact O-N 2.92Å |
| 343 | R | 83.4 | Confident | 81.7 | Confident | 31 Ų | 31 | 35.2 Ų | 35.2 | 12% | 0.117 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.4 | -36.4 | 174.5 | 175.7 | -104.4 | 173.5 | 128.6 | -20.2 | 113.4 | I283 L284 V339 C341 L345 L346 S347 C358 | I283-R343 HydrophobicContact CG2-CB 3.41Å; I283-R343 VanDerWaalsContact CG2-CB 3.41Å; I283-R343 HydrophobicContact CG2-CG 3.51Å; L284-R343 HydrophobicContact CD2-CB 4.03Å; L284-R343 HydrophobicContact CD2-CG 4.14Å; V339-R343 WeakPolarHBondContact O-CB 3.35Å; V339-R343 PolarHBondContact O-N 2.91Å; V339-R343 VanDerWaalsContact O-N 3.12Å; C341-R343 VanDerWaalsContact C-N 3.26Å; C341-R343 PolarHBondContact O-N 3.27Å; R343-L345 VanDerWaalsContact C-N 3.34Å; R343-L346 PolarHBondContact O-N 3.18Å; R343-S347 PolarHBondContact O-N 2.89Å; R343-S347 VanDerWaalsContact O-N 3.11Å; R343-S347 PolarHBondContact O-OG 3.25Å; R343-C358 PolarHBondContact NH1-O 2.92Å; R343-C358 PolarHBondContact NH1-SG 2.9Å; R343-C358 PolarHBondContact NH2-O 3.47Å |
| 344 | I | 82 | Confident | 79.7 | Confident | 4 Ų | 4 | 37.3 Ų | 37.3 | 2% | 0.021 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.5 | -41.5 | 176.5 | -66.5 | 162.5 | 0 | 0 | 0 | 110.5 | C341 G342 S347 K348 I354 P359 L360 I363 I395 | C341-I344 WeakPolarHBondContact O-CB 3.48Å; C341-I344 PolarHBondContact O-N 3.39Å; G342-I344 PolarHBondContact O-N 3.17Å; I344-S347 WeakPolarHBondContact CA-OG 3.48Å; I344-S347 PolarHBondContact O-N 3.09Å; I344-S347 PolarHBondContact O-OG 3.2Å; I344-K348 PolarHBondContact O-N 2.87Å; I344-I354 HydrophobicContact CG2-CG2 3.93Å; I344-P359 HydrophobicContact CD1-CG 3.83Å; I344-P359 HydrophobicContact CG1-CG 3.86Å; I344-L360 HydrophobicContact CD1-CD2 3.57Å; I344-L360 HydrophobicContact CD1-CG 4.24Å; I344-I363 HydrophobicContact CD1-CD1 3.38Å; I344-I395 HydrophobicContact CB-CD1 4.11Å; I344-I395 HydrophobicContact CB-CG1 4.12Å; I344-I395 HydrophobicContact CD1-CD1 3.94Å; I344-I395 HydrophobicContact CD1-CG1 4.49Å; I344-I395 HydrophobicContact CD1-CG2 4.49Å; I344-I395 HydrophobicContact CG2-CD1 4.41Å; I344-I395 HydrophobicContact CG2-CG1 3.93Å; I344-I395 HydrophobicContact CG2-CG2 4.38Å |
| 345 | L | 79.1 | Confident | 77.5 | Confident | 13 Ų | 13 | 44.8 Ų | 44.8 | 7% | 0.068 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66.7 | -39.7 | 178.6 | -62 | -179.9 | 0 | 0 | 0 | 112 | C341 G342 R343 K348 T349 W391 I395 I494 | C341-L345 PolarHBondContact O-N 3.36Å; G342-L345 PolarHBondContact O-N 3.44Å; R343-L345 VanDerWaalsContact C-N 3.34Å; L345-K348 WeakPolarHBondContact O-CB 3.33Å; L345-K348 PolarHBondContact O-N 3.16Å; L345-T349 PolarHBondContact O-N 3.09Å; L345-T349 PolarHBondContact O-OG1 3.13Å; L345-T349 VanDerWaalsContact O-OG1 3.08Å; L345-W391 HydrophobicContact CD1-CB 3.65Å; L345-W391 HydrophobicContact CD1-CG 3.93Å; L345-I395 HydrophobicContact CD2-CG1 3.81Å; L345-I395 HydrophobicContact CG-CG1 4.11Å; L345-I494 HydrophobicContact CB-CD1 3.96Å; L345-I494 HydrophobicContact CD1-CD1 4.08Å |
| 346 | L | 77.3 | Confident | 75.7 | Confident | 16 Ų | 16 | 44.8 Ų | 44.8 | 8% | 0.084 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.2 | -39.7 | 174.2 | -73.5 | 175.9 | 0 | 0 | 0 | 112.8 | L284 G342 R343 T349 R350 I494 E496 | L284-L346 HydrophobicContact CD1-CD1 4.31Å; L284-L346 HydrophobicContact CD2-CD1 3.53Å; G342-L346 PolarHBondContact O-N 2.92Å; R343-L346 PolarHBondContact O-N 3.18Å; L346-T349 PolarHBondContact O-N 2.87Å; L346-R350 WeakPolarHBondContact O-CB 3.39Å; L346-R350 VanDerWaalsContact O-CG 3.3Å; L346-R350 WeakPolarHBondContact O-CG 3.46Å; L346-R350 PolarHBondContact O-N 3.33Å; L346-R350 VanDerWaalsContact O-N 3.1Å; L346-I494 HydrophobicContact CD1-CG2 3.64Å; L346-I494 HydrophobicContact CD2-CG2 4.25Å; L346-I494 HydrophobicContact CG-CG2 3.96Å; L346-E496 HydrophobicContact CD2-CG 3.71Å |
| 347 | S | 72.1 | Confident | 74.3 | Confident | 17 Ų | 17 | 51.6 Ų | 51.6 | 12% | 0.119 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.7 | -43.9 | 170.9 | 35 | 0 | 0 | 0 | 0 | 112.1 | R343 I344 R350 G351 E352 | R343-S347 PolarHBondContact O-N 2.89Å; R343-S347 VanDerWaalsContact O-N 3.11Å; R343-S347 PolarHBondContact O-OG 3.25Å; I344-S347 WeakPolarHBondContact CA-OG 3.48Å; I344-S347 PolarHBondContact O-N 3.09Å; I344-S347 PolarHBondContact O-OG 3.2Å; S347-R350 PolarHBondContact O-N 3.08Å; S347-G351 PolarHBondContact O-N 3.33Å; S347-E352 WeakPolarHBondContact CB-OE2 3.45Å; S347-E352 PolarHBondContact O-N 3.06Å |
| 348 | K | 69.9 | Low | 72.9 | Confident | 92 Ų | 92 | 52.4 Ų | 52.4 | 40% | 0.4 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -60.7 | -46.8 | 177.3 | -176.4 | -175.8 | -176.8 | -167.3 | 0 | 112.2 | I344 L345 R350 G351 I354 | I344-K348 PolarHBondContact O-N 2.87Å; L345-K348 WeakPolarHBondContact O-CB 3.33Å; L345-K348 PolarHBondContact O-N 3.16Å; K348-R350 VanDerWaalsContact C-N 3.25Å; K348-R350 PolarHBondContact O-N 3.49Å; K348-G351 PolarHBondContact O-N 3.49Å; K348-G351 VanDerWaalsContact O-N 3.09Å; K348-I354 HydrophobicContact CB-CD1 3.89Å; K348-I354 HydrophobicContact CB-CG1 4.41Å; K348-I354 HydrophobicContact CD-CD1 4Å; K348-I354 HydrophobicContact CG-CD1 3.91Å |
| 349 | T | 64.1 | Low | 72.7 | Confident | 118 Ų | 118 | 52.5 Ų | 52.5 | 72% | 0.724 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -64.3 | -30.3 | 178.7 | -60.5 | 0 | 0 | 0 | 0 | 112.4 | L345 L346 G351 | L345-T349 PolarHBondContact O-N 3.09Å; L345-T349 PolarHBondContact O-OG1 3.13Å; L345-T349 VanDerWaalsContact O-OG1 3.08Å; L346-T349 PolarHBondContact O-N 2.87Å; T349-G351 VanDerWaalsContact C-N 3.3Å |
| 350 | R | 66.3 | Low | 72.6 | Confident | 114 Ų | 114 | 51.6 Ų | 51.6 | 43% | 0.43 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -1.8 | 175.3 | -70.5 | 172.8 | 171.2 | -147.9 | -1.6 | 114.2 | L346 S347 K348 E352 E496 E499 | L346-R350 WeakPolarHBondContact O-CB 3.39Å; L346-R350 VanDerWaalsContact O-CG 3.3Å; L346-R350 WeakPolarHBondContact O-CG 3.46Å; L346-R350 PolarHBondContact O-N 3.33Å; L346-R350 VanDerWaalsContact O-N 3.1Å; S347-R350 PolarHBondContact O-N 3.08Å; K348-R350 VanDerWaalsContact C-N 3.25Å; K348-R350 PolarHBondContact O-N 3.49Å; R350-E352 VanDerWaalsContact C-N 3.31Å; R350-E352 HydrophobicContact CB-CG 4.45Å; R350-E496 IonicContact CZ-OE1 3.64Å; R350-E496 IonicContact NE-OE1 2.74Å; R350-E496 PolarHBondContact NE-OE1 2.92Å; R350-E496 IonicContact NH2-OE1 2.75Å; R350-E496 PolarHBondContact NH2-OE1 2.66Å; R350-E499 IonicContact CZ-OE1 3.87Å; R350-E499 IonicContact NH1-OE1 3.4Å; R350-E499 PolarHBondContact NH1-OE1 3.23Å; R350-E499 IonicContact NH2-OE1 2.66Å; R350-E499 PolarHBondContact NH2-OE1 2.92Å |
| 351 | G | 57.1 | Low | 72.6 | Confident | 68 Ų | 68 | 51.7 Ų | 51.7 | 70% | 0.701 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.1 | 21.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | S347 K348 T349 | S347-G351 PolarHBondContact O-N 3.33Å; K348-G351 PolarHBondContact O-N 3.49Å; K348-G351 VanDerWaalsContact O-N 3.09Å; T349-G351 VanDerWaalsContact C-N 3.3Å |
| 352 | E | 61.7 | Low | 72.8 | Confident | 83 Ų | 83 | 51.7 Ų | 51.7 | 39% | 0.388 | 28% | 0.275 | S | S | . | . | trans | -78.1 | 131.3 | 168.1 | -58.6 | -168.4 | 138.8 | 0 | 0 | 109.8 | K286 S347 R350 I354 | K286-E352 WeakPolarHBondContact CE-OE2 3.3Å; K286-E352 IonicContact NZ-OE1 2.62Å; K286-E352 PolarHBondContact NZ-OE1 3.2Å; K286-E352 IonicContact NZ-OE2 3.55Å; K286-E352 PolarHBondContact NZ-OE2 2.66Å; S347-E352 WeakPolarHBondContact CB-OE2 3.45Å; S347-E352 PolarHBondContact O-N 3.06Å; R350-E352 VanDerWaalsContact C-N 3.31Å; R350-E352 HydrophobicContact CB-CG 4.45Å; E352-I354 PolarHBondContact O-N 3.13Å | ||
| 353 | D | 57.3 | Low | 73.2 | Confident | 143 Ų | 143 | 51.6 Ų | 51.6 | 77% | 0.765 | 27% | 0.273 | S | S | * | . | trans | -57.6 | 129.2 | 177 | -83.1 | -50.1 | 0 | 0 | 0 | 112 | M355 | D353-M355 HydrophobicContact CB-CG 4.09Å; D353-M355 PolarHBondContact O-N 3.48Å | ||
| 354 | I | 57.3 | Low | 73.8 | Confident | 46 Ų | 46 | 50.1 Ų | 50.1 | 24% | 0.236 | 27% | 0.268 | C | S | . | . | trans | -79.5 | 47.3 | 178.6 | -38.7 | 178.3 | 0 | 0 | 0 | 110.7 | I344 K348 E352 G356 | I344-I354 HydrophobicContact CG2-CG2 3.93Å; K348-I354 HydrophobicContact CB-CD1 3.89Å; K348-I354 HydrophobicContact CB-CG1 4.41Å; K348-I354 HydrophobicContact CD-CD1 4Å; K348-I354 HydrophobicContact CG-CD1 3.91Å; E352-I354 PolarHBondContact O-N 3.13Å; I354-G356 VanDerWaalsContact C-N 3.26Å; I354-G356 PolarHBondContact O-N 2.96Å | ||
| 355 | M | 51.1 | Low | 74.5 | Confident | 157 Ų | 157 | 49.9 Ų | 49.9 | 77% | 0.773 | 27% | 0.267 | S | S | * | . | trans | -80.6 | 70.4 | -177.6 | -74.7 | -172.3 | 86.1 | 0 | 0 | 112.6 | D353 E357 | D353-M355 HydrophobicContact CB-CG 4.09Å; D353-M355 PolarHBondContact O-N 3.48Å; M355-E357 PolarHBondContact O-N 3.06Å | ||
| 356 | G | 58.1 | Low | 75.3 | Confident | 3 Ų | 3 | 49.3 Ų | 49.3 | 3% | 0.031 | 26% | 0.264 | C | S | . | . | S | Bend | trans | 81.1 | -24.1 | 138.9 | 0 | 0 | 0 | 0 | 0 | 120.1 | I354 V451 R454 | I354-G356 VanDerWaalsContact C-N 3.26Å; I354-G356 PolarHBondContact O-N 2.96Å; G356-V451 VanDerWaalsContact CA-CG1 3.47Å; G356-R454 PolarHBondContact O-NH1 2.94Å |
| 357 | E | 67.5 | Low | 76.2 | Confident | 146 Ų | 146 | 48.7 Ų | 48.7 | 68% | 0.682 | 26% | 0.261 | S | S | * | . | trans | -124.9 | 130.4 | -172.8 | -59.6 | -148.5 | 149.9 | 0 | 0 | 114.8 | M355 | M355-E357 PolarHBondContact O-N 3.06Š| ||
| 358 | C | 68.5 | Low | 77.3 | Confident | 18 Ų | 18 | 48.6 Ų | 48.6 | 12% | 0.122 | 26% | 0.259 | C | S | . | . | S | Bend | trans | 57.2 | 106.6 | -176.9 | -166.5 | 0 | 0 | 0 | 0 | 114.4 | F288 S290 L293 R343 | F288-C358 PolarHBondContact O-SG 3.44Å; S290-C358 PolarHBondContact OG-N 3.24Å; L293-C358 WeakPolarHBondContact CD1-SG 3.46Å; R343-C358 PolarHBondContact NH1-O 2.92Å; R343-C358 PolarHBondContact NH1-SG 2.9Å; R343-C358 PolarHBondContact NH2-O 3.47Å |
| 359 | P | 88.6 | Confident | 78.5 | Confident | 2 Ų | 2 | 44.2 Ų | 44.2 | 1% | 0.013 | 24% | 0.24 | C | C | . | . | S | Bend | cis | -109.2 | 9.6 | 17 | 39 | -31.3 | 0 | 0 | 0 | 115.4 | L293 M340 I344 P361 A362 I363 | L293-P359 HydrophobicContact CD1-CB 3.62Å; M340-P359 HydrophobicContact CB-CB 3.84Å; M340-P359 HydrophobicContact CB-CG 3.89Å; M340-P359 HydrophobicContact CG-CB 3.8Å; M340-P359 HydrophobicContact CG-CG 4.34Å; M340-P359 VanDerWaalsContact O-CG 3.25Å; M340-P359 WeakPolarHBondContact O-CG 3.5Å; M340-P359 HydrophobicContact SD-CB 3.93Å; I344-P359 HydrophobicContact CD1-CG 3.83Å; I344-P359 HydrophobicContact CG1-CG 3.86Å; P359-P361 VanDerWaalsContact C-CD 3.5Å; P359-P361 VanDerWaalsContact O-N 3.15Å; P359-A362 WeakPolarHBondContact O-CB 3.28Å; P359-A362 PolarHBondContact O-N 2.83Å; P359-I363 HydrophobicContact CG-CD1 4.01Å; P359-I363 PolarHBondContact O-N 2.88Å |
| 360 | L | 91.8 | Very high | 80 | Confident | 5 Ų | 5 | 38.6 Ų | 38.6 | 3% | 0.026 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -48.3 | -42.7 | -171.3 | -66.4 | 171.7 | 0 | 0 | 0 | 115.7 | I344 A362 I363 K364 F399 L458 | I344-L360 HydrophobicContact CD1-CD2 3.57Å; I344-L360 HydrophobicContact CD1-CG 4.24Å; L360-A362 VanDerWaalsContact C-N 3.34Å; L360-A362 PolarHBondContact O-N 3.03Å; L360-I363 PolarHBondContact O-N 3.34Å; L360-K364 WeakPolarHBondContact O-CB 3.47Å; L360-K364 PolarHBondContact O-N 3.33Å; L360-F399 HydrophobicContact CD2-CZ 3.97Å; L360-L458 HydrophobicContact CB-CD1 4.38Å; L360-L458 HydrophobicContact CD2-CD1 3.77Å |
| 361 | P | 93.4 | Very high | 81.3 | Confident | 5 Ų | 5 | 37 Ų | 37 | 3% | 0.032 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -58 | -41.9 | 175.7 | -29 | 38.2 | 0 | 0 | 0 | 113.9 | S290 V294 P359 K364 L365 E416 | S290-P361 WeakPolarHBondContact OG-CD 3.38Å; S290-P361 WeakPolarHBondContact OG-CG 3.45Å; V294-P361 HydrophobicContact CG2-CB 3.86Å; P359-P361 VanDerWaalsContact C-CD 3.5Å; P359-P361 VanDerWaalsContact O-N 3.15Å; P361-K364 PolarHBondContact O-N 2.89Å; P361-L365 VanDerWaalsContact O-CG 3.28Å; P361-L365 WeakPolarHBondContact O-CG 3.36Å; P361-L365 PolarHBondContact O-N 2.62Å; P361-E416 HydrophobicContact CB-CB 4.28Å; P361-E416 HydrophobicContact CB-CG 4.1Å; P361-E416 WeakPolarHBondContact CB-OE1 3.32Å |
| 362 | A | 95.6 | Very high | 82.9 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -68.4 | -42.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L293 T297 M340 P359 L360 K364 L365 S366 | L293-A362 HydrophobicContact CB-CB 3.88Å; T297-A362 WeakPolarHBondContact OG1-CB 3.22Å; M340-A362 HydrophobicContact CE-CB 3.91Å; M340-A362 HydrophobicContact SD-CB 3.51Å; M340-A362 VanDerWaalsContact SD-CB 3.51Å; P359-A362 WeakPolarHBondContact O-CB 3.28Å; P359-A362 PolarHBondContact O-N 2.83Å; L360-A362 VanDerWaalsContact C-N 3.34Å; L360-A362 PolarHBondContact O-N 3.03Å; A362-K364 VanDerWaalsContact C-N 3.32Å; A362-K364 PolarHBondContact O-N 3.13Å; A362-L365 PolarHBondContact O-N 2.99Å; A362-S366 PolarHBondContact O-N 3.39Å; A362-S366 PolarHBondContact O-OG 3.39Å |
| 363 | I | 96 | Very high | 84.2 | Confident | 2 Ų | 2 | 32.9 Ų | 32.9 | 1% | 0.01 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -58.7 | -45.3 | 173.2 | -64 | 174.8 | 0 | 0 | 0 | 110.7 | L337 M340 I344 P359 L360 L365 S366 L367 L458 | L337-I363 HydrophobicContact CD1-CB 4.26Å; L337-I363 HydrophobicContact CD1-CG1 4.14Å; L337-I363 HydrophobicContact CD1-CG2 4.02Å; M340-I363 HydrophobicContact CB-CD1 4.02Å; M340-I363 HydrophobicContact CB-CG1 3.83Å; I344-I363 HydrophobicContact CD1-CD1 3.38Å; P359-I363 HydrophobicContact CG-CD1 4.01Å; P359-I363 PolarHBondContact O-N 2.88Å; L360-I363 PolarHBondContact O-N 3.34Å; I363-L365 PolarHBondContact O-N 2.97Å; I363-S366 PolarHBondContact O-N 3.29Å; I363-L367 HydrophobicContact CG2-CD1 3.88Å; I363-L367 WeakPolarHBondContact O-CG 3.3Å; I363-L367 PolarHBondContact O-N 3.2Å; I363-L458 HydrophobicContact CG2-CD2 4.08Å |
| 364 | K | 95.2 | Very high | 85.6 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -58.7 | -47.1 | 178.5 | -174.4 | -84.4 | -176 | -168.7 | 0 | 111.3 | L360 P361 A362 L367 D368 E417 R457 L458 L461 | L360-K364 WeakPolarHBondContact O-CB 3.47Å; L360-K364 PolarHBondContact O-N 3.33Å; P361-K364 PolarHBondContact O-N 2.89Å; A362-K364 VanDerWaalsContact C-N 3.32Å; A362-K364 PolarHBondContact O-N 3.13Å; K364-L367 PolarHBondContact O-N 2.92Å; K364-D368 WeakPolarHBondContact CD-OD2 3.34Å; K364-D368 WeakPolarHBondContact CE-OD2 3.34Å; K364-D368 IonicContact NZ-OD1 2.79Å; K364-D368 IonicContact NZ-OD2 3.73Å; K364-D368 PolarHBondContact NZ-OD2 3.41Å; K364-D368 PolarHBondContact O-N 3.04Å; K364-E417 WeakPolarHBondContact CE-OE1 3.27Å; K364-E417 VanDerWaalsContact NZ-CD 3.32Å; K364-E417 IonicContact NZ-OE1 3.84Å; K364-E417 PolarHBondContact NZ-OE1 2.92Å; K364-R457 HydrophobicContact CG-CB 4.47Å; K364-L458 HydrophobicContact CB-CD2 3.78Å; K364-L458 HydrophobicContact CB-CG 4.24Å; K364-L458 HydrophobicContact CG-CD2 4.28Å; K364-L458 HydrophobicContact CG-CG 4.43Å; K364-L461 HydrophobicContact CG-CD1 4.2Å |
| 365 | L | 96.1 | Very high | 87 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -67 | -36.9 | 178.4 | -65.3 | 172 | 0 | 0 | 0 | 113.2 | V294 T297 V298 P361 A362 I363 D368 W369 E416 L420 L426 | V294-L365 HydrophobicContact CB-CD1 4.35Å; V294-L365 HydrophobicContact CG1-CD1 3.79Å; V294-L365 HydrophobicContact CG2-CD1 3.98Å; T297-L365 HydrophobicContact CG2-CB 4.42Å; V298-L365 HydrophobicContact CG2-CD1 4.48Å; P361-L365 VanDerWaalsContact O-CG 3.28Å; P361-L365 WeakPolarHBondContact O-CG 3.36Å; P361-L365 PolarHBondContact O-N 2.62Å; A362-L365 PolarHBondContact O-N 2.99Å; I363-L365 PolarHBondContact O-N 2.97Å; L365-D368 PolarHBondContact O-N 3.49Å; L365-W369 PolarHBondContact O-N 2.82Å; L365-W369 VanDerWaalsContact O-N 3.15Å; L365-E416 HydrophobicContact CD1-CB 4.26Å; L365-E416 HydrophobicContact CD2-CG 4.39Å; L365-E416 HydrophobicContact CG-CG 4.49Å; L365-L420 HydrophobicContact CD1-CD1 3.45Å; L365-L420 VanDerWaalsContact CD1-CD1 3.45Å; L365-L420 HydrophobicContact CD2-CD1 3.65Å; L365-L420 HydrophobicContact CG-CD1 4.17Å; L365-L426 HydrophobicContact CB-CD1 4.45Å; L365-L426 HydrophobicContact CD2-CD1 3.81Å |
| 366 | S | 96.8 | Very high | 88.8 | Confident | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.007 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -61.2 | -46 | 172 | -67.6 | 0 | 0 | 0 | 0 | 111.2 | T297 F333 A362 I363 W369 L370 | T297-S366 WeakPolarHBondContact CG2-OG 3.37Å; F333-S366 VanDerWaalsContact CE2-OG 3.29Å; F333-S366 WeakPolarHBondContact CE2-OG 3.37Å; A362-S366 PolarHBondContact O-N 3.39Å; A362-S366 PolarHBondContact O-OG 3.39Å; I363-S366 PolarHBondContact O-N 3.29Å; S366-W369 PolarHBondContact O-N 2.94Å; S366-L370 VanDerWaalsContact O-CG 3.23Å; S366-L370 WeakPolarHBondContact O-CG 3.37Å; S366-L370 PolarHBondContact O-N 2.97Å |
| 367 | L | 96.3 | Very high | 90.3 | Very high | 3 Ų | 3 | 22.7 Ų | 22.7 | 2% | 0.016 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -66.8 | -36 | 178.1 | -71.8 | 169.5 | 0 | 0 | 0 | 113 | I363 K364 W369 L370 K371 W389 L392 L458 L461 | I363-L367 HydrophobicContact CG2-CD1 3.88Å; I363-L367 WeakPolarHBondContact O-CG 3.3Å; I363-L367 PolarHBondContact O-N 3.2Å; K364-L367 PolarHBondContact O-N 2.92Å; L367-W369 VanDerWaalsContact C-N 3.33Å; L367-W369 PolarHBondContact O-N 3.26Å; L367-L370 HydrophobicContact CD2-CD1 4.07Å; L367-L370 PolarHBondContact O-N 3.37Å; L367-K371 VanDerWaalsContact O-CB 3.29Å; L367-K371 WeakPolarHBondContact O-CB 3.42Å; L367-K371 PolarHBondContact O-N 2.68Å; L367-W389 HydrophobicContact CD2-CZ3 4.38Å; L367-L392 HydrophobicContact CD1-CD1 3.99Å; L367-L392 HydrophobicContact CD1-CD2 4.13Å; L367-L392 HydrophobicContact CD2-CD2 3.8Å; L367-L458 HydrophobicContact CD1-CD2 3.84Å; L367-L461 HydrophobicContact CB-CB 4.22Å; L367-L461 HydrophobicContact CB-CD1 3.89Å; L367-L461 HydrophobicContact CB-CD2 4.4Å; L367-L461 HydrophobicContact CB-CG 4.4Å |
| 368 | D | 95.3 | Very high | 91.4 | Very high | 14 Ų | 14 | 23.7 Ų | 23.7 | 8% | 0.075 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -57.7 | -44.9 | 170.2 | -76.9 | -35.4 | 0 | 0 | 0 | 111.4 | K364 L365 K371 L372 L426 A429 | K364-D368 WeakPolarHBondContact CD-OD2 3.34Å; K364-D368 WeakPolarHBondContact CE-OD2 3.34Å; K364-D368 IonicContact NZ-OD1 2.79Å; K364-D368 IonicContact NZ-OD2 3.73Å; K364-D368 PolarHBondContact NZ-OD2 3.41Å; K364-D368 PolarHBondContact O-N 3.04Å; L365-D368 PolarHBondContact O-N 3.49Å; D368-K371 WeakPolarHBondContact O-CB 3.42Å; D368-K371 PolarHBondContact O-N 3.23Å; D368-L372 WeakPolarHBondContact O-CG 3.13Å; D368-L372 PolarHBondContact O-N 3.33Å; D368-L426 HydrophobicContact CB-CD2 3.83Å; D368-A429 HydrophobicContact CB-CB 4.26Å |
| 369 | W | 95.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -69.7 | -43.8 | -179.8 | -176.2 | 79.8 | 0 | 0 | 0 | 112.5 | L301 L304 W326 L330 F333 L365 S366 L367 K371 L372 R373 I376 L426 | L301-W369 HydrophobicContact CD1-CB 3.9Å; L301-W369 HydrophobicContact CD1-CG 4.28Å; L301-W369 HydrophobicContact CD2-CB 3.62Å; L301-W369 HydrophobicContact CD2-CD2 3.46Å; L301-W369 VanDerWaalsContact CD2-CD2 3.46Å; L301-W369 HydrophobicContact CD2-CE3 3.8Å; L301-W369 HydrophobicContact CD2-CG 3.37Å; L301-W369 HydrophobicContact CG-CB 4.4Å; L301-W369 HydrophobicContact CG-CG 4.36Å; L304-W369 HydrophobicContact CB-CH2 3.96Å; L304-W369 HydrophobicContact CB-CZ2 3.72Å; L304-W369 HydrophobicContact CD1-CH2 3.75Å; L304-W369 HydrophobicContact CD1-CZ2 4.22Å; L304-W369 HydrophobicContact CD1-CZ3 3.94Å; L304-W369 HydrophobicContact CD2-CH2 4.36Å; L304-W369 HydrophobicContact CG-CH2 4.24Å; L304-W369 HydrophobicContact CG-CZ2 4.47Å; W326-W369 HydrophobicContact CH2-CH2 4.26Å; L330-W369 HydrophobicContact CD1-CH2 4.44Å; L330-W369 HydrophobicContact CD1-CZ3 4.25Å; F333-W369 HydrophobicContact CD1-CZ3 4.46Å; F333-W369 AromaticContact CE1-CE3 3.95Å; F333-W369 HydrophobicContact CE1-CE3 3.95Å; F333-W369 AromaticContact CE1-CZ3 4Å; F333-W369 HydrophobicContact CE1-CZ3 4Å; F333-W369 AromaticContact CZ-CE3 3.94Å; F333-W369 HydrophobicContact CZ-CE3 3.94Å; F333-W369 HydrophobicContact CZ-CZ3 4.41Å; L365-W369 PolarHBondContact O-N 2.82Å; L365-W369 VanDerWaalsContact O-N 3.15Å; S366-W369 PolarHBondContact O-N 2.94Å; L367-W369 VanDerWaalsContact C-N 3.33Å; L367-W369 PolarHBondContact O-N 3.26Å; W369-K371 PolarHBondContact O-N 3.43Å; W369-L372 PolarHBondContact O-N 3.41Å; W369-R373 HydrophobicContact CD2-CG 4.42Å; W369-R373 HydrophobicContact CZ2-CG 4.11Å; W369-R373 PolarHBondContact O-N 3.31Å; W369-I376 HydrophobicContact CE3-CD1 4.03Å; W369-I376 HydrophobicContact CH2-CD1 3.88Å; W369-I376 HydrophobicContact CZ3-CD1 3.41Å; W369-I376 VanDerWaalsContact CZ3-CD1 3.41Å; W369-L426 HydrophobicContact CB-CD2 3.83Å |
| 370 | L | 94.3 | Very high | 92.6 | Very high | 1 Ų | 1 | 27.1 Ų | 27.1 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -55.9 | -39.4 | 173.5 | -68.3 | 166.9 | 0 | 0 | 0 | 110.9 | F333 M334 L337 S366 L367 L372 R373 I376 F377 W389 | F333-L370 HydrophobicContact CE1-CD2 4Å; F333-L370 HydrophobicContact CE1-CG 4.25Å; F333-L370 HydrophobicContact CZ-CG 4.49Å; M334-L370 HydrophobicContact SD-CD2 4.19Å; L337-L370 HydrophobicContact CD2-CD1 3.79Å; S366-L370 VanDerWaalsContact O-CG 3.23Å; S366-L370 WeakPolarHBondContact O-CG 3.37Å; S366-L370 PolarHBondContact O-N 2.97Å; L367-L370 HydrophobicContact CD2-CD1 4.07Å; L367-L370 PolarHBondContact O-N 3.37Å; L370-L372 VanDerWaalsContact C-N 3.26Å; L370-L372 PolarHBondContact O-N 3.05Å; L370-R373 CarbonylContact O-C 3.23Å; L370-R373 PolarHBondContact O-N 3.41Å; L370-I376 HydrophobicContact CD2-CD1 3.48Å; L370-I376 VanDerWaalsContact CD2-CD1 3.48Å; L370-I376 HydrophobicContact CD2-CG1 4.25Å; L370-F377 HydrophobicContact CB-CZ 4.19Å; L370-W389 HydrophobicContact CD1-CH2 4.18Å |
| 371 | K | 93.4 | Very high | 92.6 | Very high | 81 Ų | 81 | 26.9 Ų | 26.9 | 35% | 0.352 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -63.3 | -26.4 | 175.5 | 174.2 | 163 | -176.9 | 169.8 | 0 | 114.5 | L367 D368 W369 R373 L461 W464 | L367-K371 VanDerWaalsContact O-CB 3.29Å; L367-K371 WeakPolarHBondContact O-CB 3.42Å; L367-K371 PolarHBondContact O-N 2.68Å; D368-K371 WeakPolarHBondContact O-CB 3.42Å; D368-K371 PolarHBondContact O-N 3.23Å; W369-K371 PolarHBondContact O-N 3.43Å; K371-R373 VanDerWaalsContact C-N 3.3Å; K371-L461 HydrophobicContact CB-CD2 4.22Å; K371-L461 HydrophobicContact CD-CD2 3.62Å; K371-W464 HydrophobicContact CB-CD2 4.14Å; K371-W464 HydrophobicContact CB-CE3 3.83Å; K371-W464 HydrophobicContact CB-CH2 4.18Å; K371-W464 HydrophobicContact CB-CZ2 4.4Å; K371-W464 HydrophobicContact CB-CZ3 3.87Å; K371-W464 HydrophobicContact CD-CB 4.36Å; K371-W464 HydrophobicContact CD-CD2 3.68Å; K371-W464 HydrophobicContact CD-CE3 4.08Å; K371-W464 HydrophobicContact CD-CG 3.75Å; K371-W464 HydrophobicContact CG-CD2 3.66Å; K371-W464 HydrophobicContact CG-CE3 3.9Å; K371-W464 HydrophobicContact CG-CG 4.23Å; K371-W464 HydrophobicContact CG-CH2 4.33Å; K371-W464 HydrophobicContact CG-CZ2 4.05Å; K371-W464 HydrophobicContact CG-CZ3 4.24Å |
| 372 | L | 92.4 | Very high | 92.6 | Very high | 50 Ų | 50 | 26.8 Ų | 26.8 | 26% | 0.262 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87 | 1.7 | 175.7 | -60.5 | 179 | 0 | 0 | 0 | 113.3 | D368 W369 L370 A425 P428 A429 | D368-L372 WeakPolarHBondContact O-CG 3.13Å; D368-L372 PolarHBondContact O-N 3.33Å; W369-L372 PolarHBondContact O-N 3.41Å; L370-L372 VanDerWaalsContact C-N 3.26Å; L370-L372 PolarHBondContact O-N 3.05Å; L372-A425 WeakPolarHBondContact CD1-O 3.4Å; L372-P428 HydrophobicContact CD1-CB 3.84Å; L372-P428 HydrophobicContact CD1-CG 3.9Å; L372-P428 HydrophobicContact CD2-CB 3.74Å; L372-P428 HydrophobicContact CG-CB 4.43Å; L372-A429 HydrophobicContact CD1-CB 4.2Å |
| 373 | R | 88.1 | Confident | 92.4 | Very high | 13 Ų | 13 | 30.8 Ų | 30.8 | 5% | 0.049 | 16% | 0.163 | C | C | . | . | trans | -141.3 | 56.4 | -166.9 | -71.8 | -57.8 | -149.8 | 176.7 | 6.2 | 112.8 | R308 D309 W369 L370 K371 S375 I376 | R308-R373 PolarHBondContact O-NH2 2.99Å; D309-R373 PolarHBondContact O-NH1 2.98Å; D309-R373 PolarHBondContact O-NH2 3.34Å; W369-R373 HydrophobicContact CD2-CG 4.42Å; W369-R373 HydrophobicContact CZ2-CG 4.11Å; W369-R373 PolarHBondContact O-N 3.31Å; L370-R373 CarbonylContact O-C 3.23Å; L370-R373 PolarHBondContact O-N 3.41Å; K371-R373 VanDerWaalsContact C-N 3.3Å; R373-S375 PolarHBondContact O-N 2.92Å; R373-I376 HydrophobicContact CB-CD1 3.62Å; R373-I376 HydrophobicContact CB-CG1 4.24Å; R373-I376 HydrophobicContact CB-CG2 4.15Å; R373-I376 VanDerWaalsContact O-CG1 3.28Å; R373-I376 WeakPolarHBondContact O-CG1 3.41Å; R373-I376 PolarHBondContact O-N 3.1Å; R373-I376 VanDerWaalsContact O-N 3.08Å | ||
| 374 | T | 86.5 | Confident | 92.2 | Very high | 70 Ų | 70 | 35.9 Ų | 35.9 | 43% | 0.429 | 19% | 0.191 | S | C | . | . | G | 310 helix | trans | -56.1 | -22.1 | -178.9 | 46.1 | 0 | 0 | 0 | 0 | 115.1 | W464 | T374-W464 HydrophobicContact CG2-CH2 3.91Å; T374-W464 HydrophobicContact CG2-CZ2 3.69Å |
| 375 | S | 86.6 | Confident | 92.1 | Very high | 45 Ų | 45 | 36.8 Ų | 36.8 | 32% | 0.315 | 19% | 0.194 | S | C | . | . | G | 310 helix | trans | -67.2 | -31.6 | 175.7 | 39.3 | 0 | 0 | 0 | 0 | 114.1 | D313 R373 F377 Q378 | D313-S375 WeakPolarHBondContact OD1-CB 3.48Å; D313-S375 PolarHBondContact OD1-OG 3.39Å; R373-S375 PolarHBondContact O-N 2.92Å; S375-F377 VanDerWaalsContact C-N 3.29Å; S375-F377 PolarHBondContact O-N 2.88Å; S375-Q378 PolarHBondContact O-N 3Å |
| 376 | I | 90.3 | Very high | 91.9 | Very high | 4 Ų | 4 | 40.8 Ų | 40.8 | 2% | 0.021 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -75.1 | -13.5 | -173.3 | 74.6 | -163.3 | 0 | 0 | 0 | 114.3 | W326 W369 L370 R373 Q378 E379 V382 | W326-I376 HydrophobicContact CH2-CG2 4.21Å; W326-I376 HydrophobicContact CZ2-CG2 3.98Å; W369-I376 HydrophobicContact CE3-CD1 4.03Å; W369-I376 HydrophobicContact CH2-CD1 3.88Å; W369-I376 HydrophobicContact CZ3-CD1 3.41Å; W369-I376 VanDerWaalsContact CZ3-CD1 3.41Å; L370-I376 HydrophobicContact CD2-CD1 3.48Å; L370-I376 VanDerWaalsContact CD2-CD1 3.48Å; L370-I376 HydrophobicContact CD2-CG1 4.25Å; R373-I376 HydrophobicContact CB-CD1 3.62Å; R373-I376 HydrophobicContact CB-CG1 4.24Å; R373-I376 HydrophobicContact CB-CG2 4.15Å; R373-I376 VanDerWaalsContact O-CG1 3.28Å; R373-I376 WeakPolarHBondContact O-CG1 3.41Å; R373-I376 PolarHBondContact O-N 3.1Å; R373-I376 VanDerWaalsContact O-N 3.08Å; I376-Q378 PolarHBondContact O-N 3.25Å; I376-Q378 VanDerWaalsContact O-N 3.11Å; I376-E379 HydrophobicContact CB-CG 4.18Å; I376-E379 VanDerWaalsContact O-CB 3.3Å; I376-E379 WeakPolarHBondContact O-CB 3.33Å; I376-E379 PolarHBondContact O-N 3.18Å; I376-V382 WeakPolarHBondContact O-CG2 3.32Å |
| 377 | F | 89.6 | Confident | 91.6 | Very high | 16 Ų | 16 | 43.2 Ų | 43.2 | 7% | 0.07 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -65.6 | -11.1 | 175 | -67.8 | -90.4 | 0 | 0 | 0 | 112.7 | L370 S375 W389 W464 Q469 L472 | L370-F377 HydrophobicContact CB-CZ 4.19Å; S375-F377 VanDerWaalsContact C-N 3.29Å; S375-F377 PolarHBondContact O-N 2.88Å; F377-W389 HydrophobicContact CD1-CH2 4.42Å; F377-W389 HydrophobicContact CD1-CZ2 4.08Å; F377-W389 AromaticContact CE1-CH2 3.63Å; F377-W389 HydrophobicContact CE1-CH2 3.63Å; F377-W389 AromaticContact CE1-CZ2 3.75Å; F377-W389 HydrophobicContact CE1-CZ2 3.75Å; F377-W389 HydrophobicContact CZ-CH2 4.48Å; F377-W464 HydrophobicContact CE2-CH2 4.16Å; F377-W464 HydrophobicContact CE2-CZ3 4.41Å; F377-W464 HydrophobicContact CZ-CH2 4.38Å; F377-W464 HydrophobicContact CZ-CZ3 4.18Å; F377-Q469 HydrophobicContact CB-CG 4.3Å; F377-Q469 HydrophobicContact CD1-CG 3.92Å; F377-Q469 HydrophobicContact CD2-CG 4.25Å; F377-Q469 HydrophobicContact CE1-CG 4.23Å; F377-Q469 HydrophobicContact CG-CG 3.9Å; F377-L472 HydrophobicContact CD1-CD1 3.51Å; F377-L472 HydrophobicContact CE1-CD1 4.08Å; F377-L472 HydrophobicContact CG-CD1 4.48Å |
| 378 | Q | 88.9 | Confident | 91.5 | Very high | 168 Ų | 168 | 43.1 Ų | 43.1 | 79% | 0.785 | 22% | 0.22 | S | C | * | . | G | 310 helix | trans | -97 | -4.9 | 174.1 | -56.8 | 177.1 | 15.8 | 0 | 0 | 112.9 | S375 I376 | S375-Q378 PolarHBondContact O-N 3Å; I376-Q378 PolarHBondContact O-N 3.25Å; I376-Q378 VanDerWaalsContact O-N 3.11Å |
| 379 | E | 91.6 | Very high | 91.5 | Very high | 37 Ų | 37 | 42.5 Ų | 42.5 | 17% | 0.173 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -74.8 | 133.4 | -179.8 | -70.2 | -90.9 | 164.5 | 0 | 0 | 111.1 | R308 W326 L330 I376 A381 V382 E383 | R308-E379 IonicContact CZ-OE1 3.77Å; R308-E379 IonicContact NH1-OE1 3.6Å; R308-E379 PolarHBondContact NH1-OE1 3.06Å; R308-E379 IonicContact NH2-OE1 2.74Å; R308-E379 PolarHBondContact NH2-OE1 2.93Å; R308-E379 VanDerWaalsContact NH2-OE1 3.13Å; R308-E379 IonicContact NH2-OE2 2.69Å; W326-E379 PolarHBondContact NE1-OE1 2.61Å; W326-E379 PolarHBondContact NE1-OE2 2.7Å; L330-E379 HydrophobicContact CD2-CB 3.83Å; L330-E379 HydrophobicContact CD2-CG 3.97Å; I376-E379 HydrophobicContact CB-CG 4.18Å; I376-E379 VanDerWaalsContact O-CB 3.3Å; I376-E379 WeakPolarHBondContact O-CB 3.33Å; I376-E379 PolarHBondContact O-N 3.18Å; E379-A381 PolarHBondContact O-N 3.34Å; E379-V382 HydrophobicContact CB-CG2 4.28Å; E379-V382 WeakPolarHBondContact O-CB 3.17Å; E379-V382 PolarHBondContact O-N 3.48Å; E379-E383 PolarHBondContact O-N 2.95Å; E379-E383 VanDerWaalsContact O-N 3.09Å |
| 380 | A | 91.6 | Very high | 91.4 | Very high | 54 Ų | 54 | 42.7 Ų | 42.7 | 45% | 0.446 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -57 | -28.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | F327 V382 N384 | F327-A380 HydrophobicContact CE2-CB 4.2Å; A380-V382 PolarHBondContact O-N 2.88Å; A380-N384 VanDerWaalsContact O-CB 3.22Å; A380-N384 WeakPolarHBondContact O-CB 3.15Å; A380-N384 PolarHBondContact O-N 3.36Å; A380-N384 PolarHBondContact O-ND2 3.43Å; A380-N384 PolarHBondContact O-OD1 3.32Å |
| 381 | A | 91.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.3 | -28.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | F327 L330 E379 R385 | F327-A381 HydrophobicContact CD2-CB 3.82Å; F327-A381 HydrophobicContact CE2-CB 3.95Å; F327-A381 HydrophobicContact CG-CB 4.49Å; L330-A381 HydrophobicContact CB-CB 4.12Å; L330-A381 HydrophobicContact CD2-CB 4.1Å; L330-A381 HydrophobicContact CG-CB 3.98Å; E379-A381 PolarHBondContact O-N 3.34Å; A381-R385 WeakPolarHBondContact O-CD 3.43Å; A381-R385 PolarHBondContact O-NH1 3.12Å |
| 382 | V | 93.3 | Very high | 91.3 | Very high | 3 Ų | 3 | 40.3 Ų | 40.3 | 2% | 0.018 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -89.7 | -44.9 | 178.6 | -177.2 | 0 | 0 | 0 | 0 | 110.7 | L330 M334 I376 E379 A380 N384 R385 K386 W389 | L330-V382 HydrophobicContact CD1-CG2 4.22Å; L330-V382 HydrophobicContact CD2-CG2 3.96Å; L330-V382 HydrophobicContact CG-CG2 4.09Å; M334-V382 HydrophobicContact CE-CG1 4.15Å; M334-V382 HydrophobicContact CG-CG2 4Å; M334-V382 HydrophobicContact SD-CG1 4.42Å; M334-V382 HydrophobicContact SD-CG2 4.41Å; I376-V382 WeakPolarHBondContact O-CG2 3.32Å; E379-V382 HydrophobicContact CB-CG2 4.28Å; E379-V382 WeakPolarHBondContact O-CB 3.17Å; E379-V382 PolarHBondContact O-N 3.48Å; A380-V382 PolarHBondContact O-N 2.88Å; V382-N384 VanDerWaalsContact C-N 3.33Å; V382-N384 PolarHBondContact O-N 2.99Å; V382-R385 CarbonylContact O-C 3.47Å; V382-R385 WeakPolarHBondContact O-CA 3.47Å; V382-R385 PolarHBondContact O-N 3.43Å; V382-K386 PolarHBondContact O-N 3.2Å; V382-W389 HydrophobicContact CG1-CZ2 4.38Å |
| 383 | E | 90.9 | Very high | 91.4 | Very high | 85 Ų | 85 | 38.4 Ų | 38.4 | 40% | 0.397 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -60.5 | -41.3 | 177.8 | 174.5 | 56.2 | -161.4 | 0 | 0 | 111.9 | E379 R385 K386 | E379-E383 PolarHBondContact O-N 2.95Å; E379-E383 VanDerWaalsContact O-N 3.09Å; E383-R385 PolarHBondContact O-N 2.85Å; E383-K386 WeakPolarHBondContact O-CG 3.26Å; E383-K386 PolarHBondContact O-N 3.21Å; E383-K386 WeakPolarHBondContact OE1-CE 3.29Å; E383-K386 IonicContact OE1-NZ 3.22Å; E383-K386 PolarHBondContact OE1-NZ 3.35Å |
| 384 | N | 92.1 | Very high | 91.5 | Very high | 109 Ų | 109 | 39.2 Ų | 39.2 | 58% | 0.583 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -7 | 173 | -69.5 | -5.1 | 0 | 0 | 0 | 113.8 | A380 V382 | A380-N384 VanDerWaalsContact O-CB 3.22Å; A380-N384 WeakPolarHBondContact O-CB 3.15Å; A380-N384 PolarHBondContact O-N 3.36Å; A380-N384 PolarHBondContact O-ND2 3.43Å; A380-N384 PolarHBondContact O-OD1 3.32Å; V382-N384 VanDerWaalsContact C-N 3.33Å; V382-N384 PolarHBondContact O-N 2.99Å |
| 385 | R | 93.5 | Very high | 91.7 | Very high | 19 Ų | 19 | 36 Ų | 36 | 7% | 0.072 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -127.6 | 25.2 | -176.6 | -66 | 178.7 | 169.9 | 80.7 | -3.6 | 112.7 | E276 G331 M334 S335 A381 V382 E383 Y387 V388 | E276-R385 IonicContact OE1-NH2 2.84Å; E276-R385 PolarHBondContact OE1-NH2 3.01Å; E276-R385 IonicContact OE2-NH2 3.22Å; G331-R385 VanDerWaalsContact CA-NH1 3.34Å; G331-R385 VanDerWaalsContact O-CZ 3.32Å; G331-R385 PolarHBondContact O-NE 3.04Å; M334-R385 HydrophobicContact CB-CB 4.2Å; M334-R385 VanDerWaalsContact CB-CD 3.45Å; M334-R385 HydrophobicContact CB-CG 4.47Å; S335-R385 PolarHBondContact OG-NE 2.98Å; A381-R385 WeakPolarHBondContact O-CD 3.43Å; A381-R385 PolarHBondContact O-NH1 3.12Å; V382-R385 CarbonylContact O-C 3.47Å; V382-R385 WeakPolarHBondContact O-CA 3.47Å; V382-R385 PolarHBondContact O-N 3.43Å; E383-R385 PolarHBondContact O-N 2.85Å; R385-Y387 HydrophobicContact CB-CE1 4.06Å; R385-Y387 HydrophobicContact CG-CE1 4.03Å; R385-Y387 PolarHBondContact O-N 3.21Å; R385-Y387 VanDerWaalsContact O-N 3.12Å; R385-V388 VanDerWaalsContact O-CG2 3.3Å; R385-V388 WeakPolarHBondContact O-CG2 3.45Å; R385-V388 PolarHBondContact O-N 3.42Å |
| 386 | K | 92.4 | Very high | 92 | Very high | 83 Ų | 83 | 33.9 Ų | 33.9 | 36% | 0.361 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -11.5 | 179.1 | 67.7 | -173.5 | 169.2 | -169.3 | 0 | 115.2 | V382 E383 V388 W389 P390 I489 | V382-K386 PolarHBondContact O-N 3.2Å; E383-K386 WeakPolarHBondContact O-CG 3.26Å; E383-K386 PolarHBondContact O-N 3.21Å; E383-K386 WeakPolarHBondContact OE1-CE 3.29Å; E383-K386 IonicContact OE1-NZ 3.22Å; E383-K386 PolarHBondContact OE1-NZ 3.35Å; K386-V388 PolarHBondContact O-N 2.94Å; K386-V388 VanDerWaalsContact O-N 3.11Å; K386-W389 PolarHBondContact O-N 3.05Å; K386-W389 VanDerWaalsContact O-N 3.12Å; K386-P390 WeakPolarHBondContact O-CD 3.31Å; K386-I489 HydrophobicContact CB-CD1 4.08Å; K386-I489 HydrophobicContact CG-CD1 4.48Å; K386-I489 HydrophobicContact CG-CG2 4.23Å |
| 387 | Y | 90.4 | Very high | 92 | Very high | 53 Ų | 53 | 36 Ų | 36 | 21% | 0.208 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | -21.3 | 169.2 | 59.5 | -110 | 0 | 0 | 0 | 113.5 | S335 R385 W389 P390 W391 E492 | S335-Y387 PolarHBondContact OG-OH 3.43Å; R385-Y387 HydrophobicContact CB-CE1 4.06Å; R385-Y387 HydrophobicContact CG-CE1 4.03Å; R385-Y387 PolarHBondContact O-N 3.21Å; R385-Y387 VanDerWaalsContact O-N 3.12Å; Y387-W389 VanDerWaalsContact C-N 3.29Å; Y387-W389 PolarHBondContact O-N 3.46Å; Y387-P390 WeakPolarHBondContact O-CD 3.49Å; Y387-W391 HydrophobicContact CD2-CE3 4.11Å; Y387-W391 AromaticContact CD2-CH2 3.49Å; Y387-W391 HydrophobicContact CD2-CH2 3.49Å; Y387-W391 VanDerWaalsContact CD2-CH2 3.49Å; Y387-W391 HydrophobicContact CD2-CZ2 4.18Å; Y387-W391 AromaticContact CD2-CZ3 3.47Å; Y387-W391 HydrophobicContact CD2-CZ3 3.47Å; Y387-W391 VanDerWaalsContact CD2-CZ3 3.47Å; Y387-W391 AromaticContact CE2-CH2 3.88Å; Y387-W391 HydrophobicContact CE2-CH2 3.88Å; Y387-W391 AromaticContact CE2-CZ3 3.68Å; Y387-W391 HydrophobicContact CE2-CZ3 3.68Å; Y387-W391 HydrophobicContact CG-CH2 4.39Å; Y387-E492 WeakPolarHBondContact CB-OE2 3.34Å; Y387-E492 WeakPolarHBondContact CD1-OE2 3.27Å |
| 388 | V | 94 | Very high | 91.9 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -66.2 | -28.5 | 177.1 | 178.8 | 0 | 0 | 0 | 0 | 112.6 | L337 G338 R385 K386 W391 L392 | L337-V388 HydrophobicContact CD2-CG1 4.24Å; L337-V388 HydrophobicContact CG-CG1 3.98Å; G338-V388 VanDerWaalsContact CA-CG2 3.42Å; R385-V388 VanDerWaalsContact O-CG2 3.3Å; R385-V388 WeakPolarHBondContact O-CG2 3.45Å; R385-V388 PolarHBondContact O-N 3.42Å; K386-V388 PolarHBondContact O-N 2.94Å; K386-V388 VanDerWaalsContact O-N 3.11Å; V388-W391 PolarHBondContact O-N 3.19Å; V388-L392 PolarHBondContact O-N 3.49Å |
| 389 | W | 94.6 | Very high | 91.8 | Very high | 2 Ų | 2 | 30 Ų | 30 | 1% | 0.008 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -72.8 | -45.1 | -175.2 | -51.5 | 116.9 | 0 | 0 | 0 | 113.6 | M334 L367 L370 F377 V382 K386 Y387 W391 L392 V393 V465 L472 I473 I489 | M334-W389 HydrophobicContact CE-CZ2 4.17Å; L367-W389 HydrophobicContact CD2-CZ3 4.38Å; L370-W389 HydrophobicContact CD1-CH2 4.18Å; F377-W389 HydrophobicContact CD1-CH2 4.42Å; F377-W389 HydrophobicContact CD1-CZ2 4.08Å; F377-W389 AromaticContact CE1-CH2 3.63Å; F377-W389 HydrophobicContact CE1-CH2 3.63Å; F377-W389 AromaticContact CE1-CZ2 3.75Å; F377-W389 HydrophobicContact CE1-CZ2 3.75Å; F377-W389 HydrophobicContact CZ-CH2 4.48Å; V382-W389 HydrophobicContact CG1-CZ2 4.38Å; K386-W389 PolarHBondContact O-N 3.05Å; K386-W389 VanDerWaalsContact O-N 3.12Å; Y387-W389 VanDerWaalsContact C-N 3.29Å; Y387-W389 PolarHBondContact O-N 3.46Å; W389-W391 VanDerWaalsContact C-N 3.3Å; W389-W391 PolarHBondContact O-N 2.84Å; W389-L392 HydrophobicContact CE3-CD2 3.98Å; W389-L392 HydrophobicContact CZ3-CD2 4.04Å; W389-L392 PolarHBondContact O-N 3.36Å; W389-V393 WeakPolarHBondContact O-CG2 3.49Å; W389-V393 PolarHBondContact O-N 2.91Å; W389-V465 HydrophobicContact CZ3-CG1 4.4Å; W389-L472 HydrophobicContact CD2-CB 4.47Å; W389-L472 HydrophobicContact CG-CB 4.18Å; W389-L472 HydrophobicContact CZ2-CD1 4.21Å; W389-I473 HydrophobicContact CB-CG1 4.19Å; W389-I473 HydrophobicContact CE3-CD1 4.15Å; W389-I489 HydrophobicContact CB-CD1 4.1Å; W389-I489 HydrophobicContact CG-CD1 4.37Å |
| 390 | P | 93.5 | Very high | 91.6 | Very high | 4 Ų | 4 | 35.4 Ų | 35.4 | 3% | 0.026 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -49.7 | -47.9 | 166.3 | -27.8 | 31.4 | 0 | 0 | 0 | 113.4 | K386 Y387 L392 V393 S394 T487 I489 E491 | K386-P390 WeakPolarHBondContact O-CD 3.31Å; Y387-P390 WeakPolarHBondContact O-CD 3.49Å; P390-L392 VanDerWaalsContact C-N 3.34Å; P390-L392 PolarHBondContact O-N 3.13Å; P390-V393 WeakPolarHBondContact O-CB 3.26Å; P390-V393 PolarHBondContact O-N 3.03Å; P390-V393 VanDerWaalsContact O-N 3.16Å; P390-S394 PolarHBondContact O-N 3.42Å; P390-S394 PolarHBondContact O-OG 2.68Å; P390-T487 HydrophobicContact CB-CG2 4.1Å; P390-T487 HydrophobicContact CG-CG2 3.86Å; P390-I489 HydrophobicContact CG-CB 3.91Å; P390-I489 HydrophobicContact CG-CG2 3.69Å; P390-E491 HydrophobicContact CB-CB 3.82Å; P390-E491 HydrophobicContact CB-CG 3.91Å |
| 391 | W | 92.4 | Very high | 91.3 | Very high | 28 Ų | 28 | 33 Ų | 33 | 11% | 0.106 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -65.9 | -37.7 | -179.3 | -58.5 | -23.8 | 0 | 0 | 0 | 112.3 | G338 C341 L345 Y387 V388 W389 S394 I395 E492 I494 | G338-W391 WeakPolarHBondContact O-CZ3 3.24Å; C341-W391 HydrophobicContact CB-CB 3.95Å; L345-W391 HydrophobicContact CD1-CB 3.65Å; L345-W391 HydrophobicContact CD1-CG 3.93Å; Y387-W391 HydrophobicContact CD2-CE3 4.11Å; Y387-W391 AromaticContact CD2-CH2 3.49Å; Y387-W391 HydrophobicContact CD2-CH2 3.49Å; Y387-W391 VanDerWaalsContact CD2-CH2 3.49Å; Y387-W391 HydrophobicContact CD2-CZ2 4.18Å; Y387-W391 AromaticContact CD2-CZ3 3.47Å; Y387-W391 HydrophobicContact CD2-CZ3 3.47Å; Y387-W391 VanDerWaalsContact CD2-CZ3 3.47Å; Y387-W391 AromaticContact CE2-CH2 3.88Å; Y387-W391 HydrophobicContact CE2-CH2 3.88Å; Y387-W391 AromaticContact CE2-CZ3 3.68Å; Y387-W391 HydrophobicContact CE2-CZ3 3.68Å; Y387-W391 HydrophobicContact CG-CH2 4.39Å; V388-W391 PolarHBondContact O-N 3.19Å; W389-W391 VanDerWaalsContact C-N 3.3Å; W389-W391 PolarHBondContact O-N 2.84Å; W391-S394 PolarHBondContact O-N 3.36Å; W391-I395 WeakPolarHBondContact O-CD1 3.42Å; W391-I395 VanDerWaalsContact O-CG1 3.26Å; W391-I395 WeakPolarHBondContact O-CG1 3.2Å; W391-I395 PolarHBondContact O-N 3.37Å; W391-I395 VanDerWaalsContact O-N 3.1Å; W391-E492 HydrophobicContact CZ2-CB 4.33Å; W391-E492 PolarHBondContact NE1-O 3.12Å; W391-I494 HydrophobicContact CD2-CD1 4.44Å; W391-I494 HydrophobicContact CD2-CG1 4.37Å; W391-I494 HydrophobicContact CG-CD1 4.48Å; W391-I494 HydrophobicContact CZ2-CG1 3.78Å |
| 392 | L | 93.6 | Very high | 91 | Very high | 4 Ų | 4 | 39.5 Ų | 39.5 | 2% | 0.021 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.9 | -42.8 | 172.8 | -178.9 | 60.3 | 0 | 0 | 0 | 111.7 | L367 V388 W389 P390 S394 I395 L396 I473 | L367-L392 HydrophobicContact CD1-CD1 3.99Å; L367-L392 HydrophobicContact CD1-CD2 4.13Å; L367-L392 HydrophobicContact CD2-CD2 3.8Å; V388-L392 PolarHBondContact O-N 3.49Å; W389-L392 HydrophobicContact CE3-CD2 3.98Å; W389-L392 HydrophobicContact CZ3-CD2 4.04Å; W389-L392 PolarHBondContact O-N 3.36Å; P390-L392 VanDerWaalsContact C-N 3.34Å; P390-L392 PolarHBondContact O-N 3.13Å; L392-S394 PolarHBondContact O-N 3.06Å; L392-I395 PolarHBondContact O-N 3.2Å; L392-L396 HydrophobicContact CD1-CD1 4.28Å; L392-L396 HydrophobicContact CD1-CG 4.14Å; L392-L396 HydrophobicContact CG-CD1 3.94Å; L392-L396 HydrophobicContact CG-CG 4.27Å; L392-L396 VanDerWaalsContact O-CG 3.28Å; L392-L396 WeakPolarHBondContact O-CG 3.48Å; L392-L396 PolarHBondContact O-N 3.31Å; L392-I473 HydrophobicContact CD2-CD1 4.06Å; L392-I473 HydrophobicContact CG-CD1 4.45Å |
| 393 | V | 93.7 | Very high | 90.6 | Very high | 10 Ų | 10 | 44.2 Ų | 44.2 | 6% | 0.061 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -57.8 | -48 | 174.6 | 166.1 | 0 | 0 | 0 | 0 | 111.2 | W389 P390 I395 L396 N397 I473 F485 T487 | W389-V393 WeakPolarHBondContact O-CG2 3.49Å; W389-V393 PolarHBondContact O-N 2.91Å; P390-V393 WeakPolarHBondContact O-CB 3.26Å; P390-V393 PolarHBondContact O-N 3.03Å; P390-V393 VanDerWaalsContact O-N 3.16Å; V393-I395 PolarHBondContact O-N 3.26Å; V393-L396 PolarHBondContact O-N 2.97Å; V393-N397 WeakPolarHBondContact O-CB 3.48Å; V393-N397 PolarHBondContact O-N 3.41Å; V393-N397 PolarHBondContact O-ND2 3.37Å; V393-I473 HydrophobicContact CG2-CB 4.39Å; V393-I473 HydrophobicContact CG2-CD1 3.89Å; V393-I473 HydrophobicContact CG2-CG1 3.85Å; V393-I473 HydrophobicContact CG2-CG2 3.83Å; V393-F485 HydrophobicContact CB-CB 4.4Å; V393-F485 HydrophobicContact CG1-CB 3.91Å; V393-F485 VanDerWaalsContact CG1-O 3.26Å; V393-F485 WeakPolarHBondContact CG1-O 3.33Å; V393-F485 HydrophobicContact CG2-CB 4.2Å; V393-T487 HydrophobicContact CG2-CG2 4.34Å |
| 394 | S | 91.1 | Very high | 90 | Very high | 30 Ų | 30 | 47 Ų | 47 | 21% | 0.21 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62 | -27.5 | 177.7 | -68.8 | 0 | 0 | 0 | 0 | 113.6 | P390 W391 L392 E491 | P390-S394 PolarHBondContact O-N 3.42Å; P390-S394 PolarHBondContact O-OG 2.68Å; W391-S394 PolarHBondContact O-N 3.36Å; L392-S394 PolarHBondContact O-N 3.06Å; S394-E491 PolarHBondContact OG-OE1 3.16Å |
| 395 | I | 90.4 | Very high | 89 | Confident | 3 Ų | 3 | 43.5 Ų | 43.5 | 2% | 0.015 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -77.9 | -49.7 | 172.1 | -65.6 | 160.8 | 0 | 0 | 0 | 111.2 | C341 I344 L345 W391 L392 V393 N397 S398 F399 | C341-I395 HydrophobicContact CB-CD1 3.6Å; I344-I395 HydrophobicContact CB-CD1 4.11Å; I344-I395 HydrophobicContact CB-CG1 4.12Å; I344-I395 HydrophobicContact CD1-CD1 3.94Å; I344-I395 HydrophobicContact CD1-CG1 4.49Å; I344-I395 HydrophobicContact CD1-CG2 4.49Å; I344-I395 HydrophobicContact CG2-CD1 4.41Å; I344-I395 HydrophobicContact CG2-CG1 3.93Å; I344-I395 HydrophobicContact CG2-CG2 4.38Å; L345-I395 HydrophobicContact CD2-CG1 3.81Å; L345-I395 HydrophobicContact CG-CG1 4.11Å; W391-I395 WeakPolarHBondContact O-CD1 3.42Å; W391-I395 VanDerWaalsContact O-CG1 3.26Å; W391-I395 WeakPolarHBondContact O-CG1 3.2Å; W391-I395 PolarHBondContact O-N 3.37Å; W391-I395 VanDerWaalsContact O-N 3.1Å; L392-I395 PolarHBondContact O-N 3.2Å; V393-I395 PolarHBondContact O-N 3.26Å; I395-N397 VanDerWaalsContact C-N 3.31Å; I395-N397 PolarHBondContact O-N 3.15Å; I395-S398 WeakPolarHBondContact O-CA 3.43Å; I395-S398 VanDerWaalsContact O-CB 3.25Å; I395-S398 WeakPolarHBondContact O-CB 3.1Å; I395-S398 PolarHBondContact O-N 2.98Å; I395-S398 PolarHBondContact O-OG 3.41Å; I395-F399 HydrophobicContact CG2-CE1 4.31Å; I395-F399 HydrophobicContact CG2-CE2 3.93Å; I395-F399 HydrophobicContact CG2-CZ 3.56Å |
| 396 | L | 91.6 | Very high | 88 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.2 | -43.9 | -178.5 | -68.1 | 170.2 | 0 | 0 | 0 | 111.3 | L392 V393 S398 F399 P401 L458 V459 F485 | L392-L396 HydrophobicContact CD1-CD1 4.28Å; L392-L396 HydrophobicContact CD1-CG 4.14Å; L392-L396 HydrophobicContact CG-CD1 3.94Å; L392-L396 HydrophobicContact CG-CG 4.27Å; L392-L396 VanDerWaalsContact O-CG 3.28Å; L392-L396 WeakPolarHBondContact O-CG 3.48Å; L392-L396 PolarHBondContact O-N 3.31Å; V393-L396 PolarHBondContact O-N 2.97Å; L396-S398 PolarHBondContact O-N 2.85Å; L396-F399 HydrophobicContact CD2-CE2 4.36Å; L396-F399 PolarHBondContact O-N 3.22Å; L396-P401 WeakPolarHBondContact O-CD 3.47Å; L396-L458 HydrophobicContact CD2-CB 4.27Å; L396-L458 WeakPolarHBondContact CD2-O 3.28Å; L396-V459 HydrophobicContact CD2-CG2 4.48Å; L396-F485 HydrophobicContact CB-CD2 3.63Å; L396-F485 HydrophobicContact CB-CE2 3.99Å; L396-F485 HydrophobicContact CB-CG 4.14Å; L396-F485 HydrophobicContact CD1-CD1 4.17Å; L396-F485 HydrophobicContact CD1-CD2 4.26Å; L396-F485 HydrophobicContact CD1-CE1 4.34Å; L396-F485 HydrophobicContact CD1-CE2 4.42Å; L396-F485 HydrophobicContact CD1-CG 4.13Å; L396-F485 HydrophobicContact CD1-CZ 4.45Å |
| 397 | N | 90.9 | Very high | 86.9 | Confident | 47 Ų | 47 | 46.1 Ų | 46.1 | 25% | 0.251 | 23% | 0.229 | S | C | . | . | G | 310 helix | trans | -64.7 | -22.2 | 173.9 | -70.4 | -20.8 | 0 | 0 | 0 | 113.2 | V393 I395 F399 Q400 F485 | V393-N397 WeakPolarHBondContact O-CB 3.48Å; V393-N397 PolarHBondContact O-N 3.41Å; V393-N397 PolarHBondContact O-ND2 3.37Å; I395-N397 VanDerWaalsContact C-N 3.31Å; I395-N397 PolarHBondContact O-N 3.15Å; N397-F399 VanDerWaalsContact C-N 3.26Å; N397-F399 PolarHBondContact O-N 2.85Å; N397-Q400 PolarHBondContact O-N 3.28Å; N397-F485 PolarHBondContact ND2-O 3.23Å; N397-F485 WeakPolarHBondContact OD1-CB 3.41Å; N397-F485 PolarHBondContact OD1-N 3.09Å |
| 398 | S | 87.8 | Confident | 85.4 | Confident | 25 Ų | 25 | 46.7 Ų | 46.7 | 18% | 0.175 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -70.8 | -21.7 | 176.8 | 81 | 0 | 0 | 0 | 0 | 113.4 | I395 L396 Q400 | I395-S398 WeakPolarHBondContact O-CA 3.43Å; I395-S398 VanDerWaalsContact O-CB 3.25Å; I395-S398 WeakPolarHBondContact O-CB 3.1Å; I395-S398 PolarHBondContact O-N 2.98Å; I395-S398 PolarHBondContact O-OG 3.41Å; L396-S398 PolarHBondContact O-N 2.85Å; S398-Q400 VanDerWaalsContact C-N 3.26Å; S398-Q400 PolarHBondContact O-N 3.47Å |
| 399 | F | 87.6 | Confident | 83.9 | Confident | 34 Ų | 34 | 50.1 Ų | 50.1 | 15% | 0.149 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -79.8 | -4.5 | 177.5 | -52.5 | -41.2 | 0 | 0 | 0 | 113.8 | L360 I395 L396 N397 H455 L458 V459 | L360-F399 HydrophobicContact CD2-CZ 3.97Å; I395-F399 HydrophobicContact CG2-CE1 4.31Å; I395-F399 HydrophobicContact CG2-CE2 3.93Å; I395-F399 HydrophobicContact CG2-CZ 3.56Å; L396-F399 HydrophobicContact CD2-CE2 4.36Å; L396-F399 PolarHBondContact O-N 3.22Å; N397-F399 VanDerWaalsContact C-N 3.26Å; N397-F399 PolarHBondContact O-N 2.85Å; F399-H455 HydrophobicContact CB-CB 4.43Å; F399-H455 HydrophobicContact CD1-CB 4.31Å; F399-H455 AromaticContact CD1-CD2 3.9Å; F399-H455 AromaticContact CD1-CE1 3.72Å; F399-H455 AromaticContact CD1-CG 3.7Å; F399-H455 AromaticContact CD1-ND1 3.58Å; F399-H455 AromaticContact CD1-NE2 3.94Å; F399-H455 HydrophobicContact CD2-CB 4.24Å; F399-H455 AromaticContact CE1-CD2 3.56Å; F399-H455 AromaticContact CE1-CE1 3.78Å; F399-H455 AromaticContact CE1-CG 3.87Å; F399-H455 AromaticContact CE1-ND1 3.98Å; F399-H455 AromaticContact CE1-NE2 3.53Å; F399-H455 HydrophobicContact CG-CB 4.09Å; F399-H455 AromaticContact CG-CG 3.99Å; F399-H455 AromaticContact CZ-CD2 3.85Å; F399-L458 HydrophobicContact CE2-CB 4.11Å; F399-L458 HydrophobicContact CE2-CD1 4.07Å; F399-L458 HydrophobicContact CZ-CD1 4.05Å; F399-V459 HydrophobicContact CD2-CG2 3.97Å |
| 400 | Q | 86.4 | Confident | 82.7 | Confident | 150 Ų | 150 | 52.1 Ų | 52.1 | 70% | 0.701 | 28% | 0.279 | S | S | * | . | trans | 48 | 49.8 | -172.7 | -55.2 | -177 | 22.6 | 0 | 0 | 113.8 | N397 S398 L482 | N397-Q400 PolarHBondContact O-N 3.28Å; S398-Q400 VanDerWaalsContact C-N 3.26Å; S398-Q400 PolarHBondContact O-N 3.47Å; Q400-L482 HydrophobicContact CB-CD1 4.34Å; Q400-L482 WeakPolarHBondContact O-CD1 3.35Å | ||
| 401 | P | 85.5 | Confident | 81.8 | Confident | 3 Ų | 3 | 54.2 Ų | 54.2 | 2% | 0.019 | 30% | 0.297 | C | S | . | . | trans | -66.2 | 142 | -169.2 | 26.2 | -33.8 | 0 | 0 | 0 | 113.7 | L396 V459 L482 L483 F485 | L396-P401 WeakPolarHBondContact O-CD 3.47Å; P401-V459 HydrophobicContact CB-CB 4.27Å; P401-V459 HydrophobicContact CB-CG1 3.52Å; P401-V459 HydrophobicContact CB-CG2 3.67Å; P401-V459 HydrophobicContact CG-CG1 4.3Å; P401-V459 HydrophobicContact CG-CG2 4.22Å; P401-L482 WeakPolarHBondContact O-CD1 3.42Å; P401-L483 HydrophobicContact CB-CB 4.35Å; P401-L483 HydrophobicContact CB-CD1 4.44Å; P401-L483 HydrophobicContact CG-CB 4.11Å; P401-L483 PolarHBondContact O-N 3.29Å; P401-F485 HydrophobicContact CG-CD2 4.49Å; P401-F485 HydrophobicContact CG-CE2 4.05Å | ||
| 402 | R | 85.4 | Confident | 81.3 | Confident | 137 Ų | 137 | 56.6 Ų | 56.6 | 52% | 0.517 | 31% | 0.311 | S | S | . | . | B | Isolated β-bridge | trans | -108.5 | 160.2 | 175 | -61.6 | -179.9 | 177 | -139.5 | -6.7 | 111.5 | E404 D405 G481 | R402-E404 PolarHBondContact O-N 3.01Å; R402-D405 PolarHBondContact N-OD2 2.77Å; R402-D405 WeakPolarHBondContact O-CB 3.43Å; R402-D405 PolarHBondContact O-N 3.37Å; R402-G481 WeakPolarHBondContact CA-O 3.47Å |
| 403 | E | 83.9 | Confident | 81 | Confident | 102 Ų | 102 | 57 Ų | 57 | 48% | 0.477 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64.7 | -29.2 | 174 | -170.7 | 165 | -143 | 0 | 0 | 112.1 | D405 L406 G481 L483 | E403-D405 VanDerWaalsContact C-N 3.34Å; E403-D405 PolarHBondContact O-N 2.77Å; E403-L406 PolarHBondContact O-N 3.41Å; E403-G481 PolarHBondContact N-O 3.07Å; E403-L483 HydrophobicContact CB-CD2 4.18Å |
| 404 | E | 78.4 | Confident | 80.8 | Confident | 145 Ų | 145 | 56.9 Ų | 56.9 | 68% | 0.678 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -58.9 | -40.6 | 174 | -61 | 178.6 | 154.6 | 0 | 0 | 112.4 | R402 L406 S407 S408 | R402-E404 PolarHBondContact O-N 3.01Å; E404-L406 PolarHBondContact O-N 3.24Å; E404-S407 WeakPolarHBondContact O-CB 3.31Å; E404-S407 PolarHBondContact O-N 3.17Å; E404-S408 PolarHBondContact O-N 2.98Å |
| 405 | D | 71.3 | Confident | 80.7 | Confident | 35 Ų | 35 | 58.2 Ų | 58.2 | 19% | 0.187 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -59.6 | -31.4 | 179.7 | -74.9 | -63.6 | 0 | 0 | 0 | 113.3 | R402 E403 S407 S408 H452 Q456 | R402-D405 PolarHBondContact N-OD2 2.77Å; R402-D405 WeakPolarHBondContact O-CB 3.43Å; R402-D405 PolarHBondContact O-N 3.37Å; E403-D405 VanDerWaalsContact C-N 3.34Å; E403-D405 PolarHBondContact O-N 2.77Å; D405-S407 VanDerWaalsContact C-N 3.3Å; D405-S408 PolarHBondContact O-OG 3.25Å; D405-H452 IonicContact OD1-CE1 3.46Å; D405-H452 PolarHBondContact OD1-CE1 2.78Å; D405-H452 IonicContact OD1-NE2 2.65Å; D405-Q456 HydrophobicContact CB-CG 4.15Å; D405-Q456 PolarHBondContact OD1-NE2 3.35Å |
| 406 | L | 73.4 | Confident | 80.8 | Confident | 50 Ų | 50 | 58.5 Ų | 58.5 | 26% | 0.262 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -72.1 | -27 | 178 | -68 | -179.9 | 0 | 0 | 0 | 112.3 | E403 E404 V459 A460 K463 L483 | E403-L406 PolarHBondContact O-N 3.41Å; E404-L406 PolarHBondContact O-N 3.24Å; L406-V459 HydrophobicContact CD2-CG1 3.95Å; L406-A460 HydrophobicContact CD2-CB 3.84Å; L406-K463 HydrophobicContact CD1-CB 4.34Å; L406-K463 HydrophobicContact CD1-CG 4Å; L406-K463 HydrophobicContact CD2-CB 4.48Å; L406-L483 HydrophobicContact CD1-CD1 3.6Å; L406-L483 HydrophobicContact CG-CD1 3.96Å |
| 407 | S | 68.9 | Low | 80.8 | Confident | 106 Ų | 106 | 58.6 Ų | 58.6 | 74% | 0.741 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -79.6 | -31.6 | -178 | -60.6 | 0 | 0 | 0 | 0 | 112 | E404 D405 S409 | E404-S407 WeakPolarHBondContact O-CB 3.31Å; E404-S407 PolarHBondContact O-N 3.17Å; D405-S407 VanDerWaalsContact C-N 3.3Å; S407-S409 PolarHBondContact O-N 2.92Å |
| 408 | S | 58.5 | Low | 80.7 | Confident | 65 Ų | 65 | 57.2 Ų | 57.2 | 46% | 0.455 | 32% | 0.315 | S | S | . | . | trans | -91.6 | 48.8 | -177.6 | 58.8 | 0 | 0 | 0 | 0 | 113.8 | E404 D405 S410 Q456 | E404-S408 PolarHBondContact O-N 2.98Å; D405-S408 PolarHBondContact O-OG 3.25Å; S408-S410 PolarHBondContact O-N 3.09Å; S408-Q456 PolarHBondContact OG-NE2 3.5Å | ||
| 409 | S | 63.3 | Low | 80.9 | Confident | 72 Ų | 72 | 58.2 Ų | 58.2 | 50% | 0.503 | 32% | 0.316 | S | S | . | . | trans | -67.2 | 94.4 | -178.2 | -157.9 | 0 | 0 | 0 | 0 | 112.1 | S407 A411 | S407-S409 PolarHBondContact O-N 2.92Å; S409-A411 PolarHBondContact O-N 3.21Å | ||
| 410 | S | 68.1 | Low | 81.2 | Confident | 45 Ų | 45 | 56.6 Ų | 56.6 | 32% | 0.315 | 31% | 0.309 | S | S | . | . | trans | -59.1 | 120.7 | -178.2 | -178.8 | 0 | 0 | 0 | 0 | 111.5 | S408 L412 R457 | S408-S410 PolarHBondContact O-N 3.09Å; S410-L412 PolarHBondContact O-N 3.48Å; S410-R457 PolarHBondContact O-NH2 2.85Å | ||
| 411 | A | 75.3 | Confident | 81.5 | Confident | 47 Ų | 47 | 51.6 Ų | 51.6 | 39% | 0.388 | 29% | 0.286 | S | S | . | . | trans | -71.6 | -6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | S409 D434 | S409-A411 PolarHBondContact O-N 3.21Å; A411-D434 HydrophobicContact CB-CB 4.3Å; A411-D434 PolarHBondContact O-N 3.29Å | ||
| 412 | L | 82.6 | Confident | 81.8 | Confident | 79 Ų | 79 | 52.2 Ų | 52.2 | 41% | 0.414 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -67.4 | 125.4 | 176 | -62.1 | 176 | 0 | 0 | 0 | 110.1 | S410 K437 | S410-L412 PolarHBondContact O-N 3.48Å; L412-K437 HydrophobicContact CD2-CD 4.12Å |
| 413 | P | 87.9 | Confident | 82.3 | Confident | 12 Ų | 12 | 45.7 Ų | 45.7 | 8% | 0.078 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -76 | 139.8 | 179 | -4 | 18.2 | 0 | 0 | 0 | 111.9 | E417 F418 L433 D434 F435 | P413-E417 WeakPolarHBondContact CA-OE2 3.33Å; P413-E417 HydrophobicContact CB-CB 4Å; P413-F418 HydrophobicContact CB-CD2 3.68Å; P413-F418 HydrophobicContact CB-CE2 3.6Å; P413-F418 HydrophobicContact CB-CG 4.36Å; P413-F418 HydrophobicContact CB-CZ 4.23Å; P413-F418 HydrophobicContact CG-CD2 4.12Å; P413-F418 HydrophobicContact CG-CE1 4.37Å; P413-F418 HydrophobicContact CG-CE2 3.57Å; P413-F418 HydrophobicContact CG-CZ 3.72Å; P413-F418 WeakPolarHBondContact O-CD2 3.32Å; P413-F418 WeakPolarHBondContact O-CE2 3.41Å; P413-L433 HydrophobicContact CB-CB 4.36Å; P413-L433 HydrophobicContact CB-CD1 4.22Å; P413-L433 HydrophobicContact CG-CB 4.15Å; P413-D434 VanDerWaalsContact CD-O 3.26Å; P413-D434 WeakPolarHBondContact CD-O 3.15Å; P413-D434 WeakPolarHBondContact CG-O 3.28Å; P413-F435 HydrophobicContact CB-CD1 4.02Å; P413-F435 HydrophobicContact CB-CE1 3.71Å; P413-F435 HydrophobicContact CB-CZ 4.33Å; P413-F435 HydrophobicContact CG-CD1 3.58Å; P413-F435 HydrophobicContact CG-CE1 3.76Å; P413-F435 HydrophobicContact CG-CG 4.04Å; P413-F435 HydrophobicContact CG-CZ 4.38Å |
| 414 | L | 89.1 | Confident | 82.8 | Confident | 7 Ų | 7 | 42.7 Ų | 42.7 | 4% | 0.037 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -70.4 | 160.7 | 170.5 | -62 | 171.6 | 0 | 0 | 0 | 111.3 | E416 E417 F418 P450 A453 R454 R457 | L414-E416 VanDerWaalsContact C-N 3.27Å; L414-E416 HydrophobicContact CB-CG 4.29Å; L414-E416 WeakPolarHBondContact CB-OE2 3.35Å; L414-E416 PolarHBondContact O-N 3.4Å; L414-E417 HydrophobicContact CB-CG 4.18Å; L414-E417 PolarHBondContact N-OE2 3.42Å; L414-E417 WeakPolarHBondContact O-CA 3.18Å; L414-E417 WeakPolarHBondContact O-CB 3.39Å; L414-E417 PolarHBondContact O-N 3.02Å; L414-F418 PolarHBondContact O-N 3.14Å; L414-P450 WeakPolarHBondContact CD2-O 3.36Å; L414-A453 HydrophobicContact CD2-CB 4.1Å; L414-R454 HydrophobicContact CD1-CB 3.95Å; L414-R454 HydrophobicContact CD1-CG 4.2Å; L414-R454 HydrophobicContact CD2-CB 4.39Å; L414-R457 HydrophobicContact CD1-CG 4.28Å |
| 415 | P | 88.3 | Confident | 83.5 | Confident | 59 Ų | 59 | 35.8 Ų | 35.8 | 38% | 0.383 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -52.5 | -42.3 | 178.2 | -28 | 35.8 | 0 | 0 | 0 | 113.8 | E417 F418 E419 I442 | P415-E417 VanDerWaalsContact C-N 3.3Å; P415-E417 PolarHBondContact O-N 3.03Å; P415-F418 PolarHBondContact O-N 3.27Å; P415-E419 PolarHBondContact O-N 3.27Å; P415-I442 HydrophobicContact CG-CG2 4.35Å |
| 416 | E | 91.8 | Very high | 84.6 | Confident | 8 Ų | 8 | 34.1 Ų | 34.1 | 4% | 0.037 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -68 | -24.8 | 176.6 | 61.9 | -93.4 | -140.1 | 0 | 0 | 113.8 | V294 P361 L365 L414 L420 R454 | V294-E416 HydrophobicContact CG2-CB 4.39Å; P361-E416 HydrophobicContact CB-CB 4.28Å; P361-E416 HydrophobicContact CB-CG 4.1Å; P361-E416 WeakPolarHBondContact CB-OE1 3.32Å; L365-E416 HydrophobicContact CD1-CB 4.26Å; L365-E416 HydrophobicContact CD2-CG 4.39Å; L365-E416 HydrophobicContact CG-CG 4.49Å; L414-E416 VanDerWaalsContact C-N 3.27Å; L414-E416 HydrophobicContact CB-CG 4.29Å; L414-E416 WeakPolarHBondContact CB-OE2 3.35Å; L414-E416 PolarHBondContact O-N 3.4Å; E416-L420 WeakPolarHBondContact O-CB 3.34Å; E416-L420 WeakPolarHBondContact O-CD1 3.42Å; E416-L420 VanDerWaalsContact O-CG 3.27Å; E416-L420 WeakPolarHBondContact O-CG 3.4Å; E416-L420 PolarHBondContact O-N 3.15Å; E416-R454 IonicContact OE1-CZ 2.89Å; E416-R454 IonicContact OE1-NE 3.78Å; E416-R454 PolarHBondContact OE1-NE 2.81Å; E416-R454 IonicContact OE1-NH2 2.73Å; E416-R454 PolarHBondContact OE1-NH2 2.87Å; E416-R454 IonicContact OE2-CZ 2.74Å; E416-R454 IonicContact OE2-NE 2.73Å; E416-R454 IonicContact OE2-NH2 3.93Å; E416-R454 PolarHBondContact OE2-NH2 3.48Å |
| 417 | E | 92.6 | Very high | 85.5 | Confident | 3 Ų | 3 | 36 Ų | 36 | 1% | 0.014 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -80 | -34.6 | 175.5 | -64.7 | 178 | 134 | 0 | 0 | 111.2 | K364 P413 L414 P415 Q421 L430 L433 | K364-E417 WeakPolarHBondContact CE-OE1 3.27Å; K364-E417 VanDerWaalsContact NZ-CD 3.32Å; K364-E417 IonicContact NZ-OE1 3.84Å; K364-E417 PolarHBondContact NZ-OE1 2.92Å; P413-E417 WeakPolarHBondContact CA-OE2 3.33Å; P413-E417 HydrophobicContact CB-CB 4Å; L414-E417 HydrophobicContact CB-CG 4.18Å; L414-E417 PolarHBondContact N-OE2 3.42Å; L414-E417 WeakPolarHBondContact O-CA 3.18Å; L414-E417 WeakPolarHBondContact O-CB 3.39Å; L414-E417 PolarHBondContact O-N 3.02Å; P415-E417 VanDerWaalsContact C-N 3.3Å; P415-E417 PolarHBondContact O-N 3.03Å; E417-Q421 PolarHBondContact O-N 3.12Å; E417-Q421 VanDerWaalsContact O-N 3.14Å; E417-L430 HydrophobicContact CB-CD2 3.82Å; E417-L430 HydrophobicContact CG-CD2 3.84Å; E417-L433 HydrophobicContact CB-CD1 3.78Å; E417-L433 HydrophobicContact CG-CD1 3.95Å; E417-L433 WeakPolarHBondContact OE1-CD1 3.02Å |
| 418 | F | 88.7 | Confident | 86.5 | Confident | 18 Ų | 18 | 33 Ų | 33 | 8% | 0.079 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.4 | -46.4 | 171.4 | -89.8 | -74.1 | 0 | 0 | 0 | 112.6 | P413 L414 P415 L420 Q421 F435 G438 H439 I442 | P413-F418 HydrophobicContact CB-CD2 3.68Å; P413-F418 HydrophobicContact CB-CE2 3.6Å; P413-F418 HydrophobicContact CB-CG 4.36Å; P413-F418 HydrophobicContact CB-CZ 4.23Å; P413-F418 HydrophobicContact CG-CD2 4.12Å; P413-F418 HydrophobicContact CG-CE1 4.37Å; P413-F418 HydrophobicContact CG-CE2 3.57Å; P413-F418 HydrophobicContact CG-CZ 3.72Å; P413-F418 WeakPolarHBondContact O-CD2 3.32Å; P413-F418 WeakPolarHBondContact O-CE2 3.41Å; L414-F418 PolarHBondContact O-N 3.14Å; P415-F418 PolarHBondContact O-N 3.27Å; F418-L420 PolarHBondContact O-N 2.9Å; F418-Q421 PolarHBondContact O-N 2.69Å; F418-F435 AromaticContact CD1-CD1 3.69Å; F418-F435 HydrophobicContact CD1-CD1 3.69Å; F418-F435 HydrophobicContact CD1-CE1 4.25Å; F418-F435 HydrophobicContact CE1-CB 4.34Å; F418-F435 AromaticContact CE1-CD1 3.7Å; F418-F435 HydrophobicContact CE1-CD1 3.7Å; F418-F435 HydrophobicContact CG-CD1 4.29Å; F418-F435 HydrophobicContact CG-CE1 4.45Å; F418-F435 HydrophobicContact CZ-CD1 4.3Å; F418-G438 VanDerWaalsContact CZ-O 3.31Å; F418-G438 WeakPolarHBondContact CZ-O 3.45Å; F418-H439 AromaticContact CD1-CE1 3.41Å; F418-H439 VanDerWaalsContact CD1-CE1 3.41Å; F418-H439 WeakPolarHBondContact CD1-CE1 3.48Å; F418-H439 AromaticContact CD1-ND1 3.41Å; F418-H439 WeakPolarHBondContact CD1-ND1 3.08Å; F418-H439 AromaticContact CE1-ND1 3.73Å; F418-H439 AromaticContact CG-CE1 3.67Å; F418-H439 AromaticContact CG-ND1 3.82Å; F418-I442 HydrophobicContact CD2-CD1 3.41Å; F418-I442 VanDerWaalsContact CD2-CD1 3.41Å; F418-I442 HydrophobicContact CD2-CG1 4.11Å; F418-I442 HydrophobicContact CE2-CD1 3.51Å; F418-I442 HydrophobicContact CE2-CG1 3.71Å; F418-I442 HydrophobicContact CG-CD1 4.14Å; F418-I442 HydrophobicContact CZ-CD1 4.3Å; F418-I442 HydrophobicContact CZ-CG1 4.44Å |
| 419 | E | 91.1 | Very high | 88 | Confident | 45 Ų | 45 | 31.1 Ų | 31.1 | 21% | 0.21 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.5 | -29.2 | 178.8 | -170.1 | 176.1 | -158.2 | 0 | 0 | 112 | F206 R210 Q291 H295 P415 | F206-E419 HydrophobicContact CZ-CG 4.05Å; R210-E419 PolarHBondContact NE-O 3.5Å; R210-E419 PolarHBondContact NH2-O 3.48Å; Q291-E419 PolarHBondContact NE2-OE1 2.9Å; H295-E419 IonicContact CD2-OE1 2.68Å; H295-E419 IonicContact CE1-OE1 2.7Å; H295-E419 IonicContact NE2-OE1 3.96Å; H295-E419 PolarHBondContact NE2-OE1 3.28Å; P415-E419 PolarHBondContact O-N 3.27Å |
| 420 | L | 94.8 | Very high | 89.3 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.2 | 7.8 | -175.2 | -56.3 | 178.2 | 0 | 0 | 0 | 114.2 | F206 V294 V298 L365 E416 F418 G422 F423 L426 L430 | F206-L420 HydrophobicContact CE2-CD2 4Å; F206-L420 HydrophobicContact CZ-CD2 4.15Å; V294-L420 HydrophobicContact CG1-CD1 4.31Å; V298-L420 HydrophobicContact CB-CD2 4.43Å; V298-L420 HydrophobicContact CG1-CD2 4.01Å; V298-L420 HydrophobicContact CG2-CD1 3.47Å; V298-L420 VanDerWaalsContact CG2-CD1 3.47Å; V298-L420 HydrophobicContact CG2-CD2 3.63Å; V298-L420 HydrophobicContact CG2-CG 4.21Å; L365-L420 HydrophobicContact CD1-CD1 3.45Å; L365-L420 VanDerWaalsContact CD1-CD1 3.45Å; L365-L420 HydrophobicContact CD2-CD1 3.65Å; L365-L420 HydrophobicContact CG-CD1 4.17Å; E416-L420 WeakPolarHBondContact O-CB 3.34Å; E416-L420 WeakPolarHBondContact O-CD1 3.42Å; E416-L420 VanDerWaalsContact O-CG 3.27Å; E416-L420 WeakPolarHBondContact O-CG 3.4Å; E416-L420 PolarHBondContact O-N 3.15Å; F418-L420 PolarHBondContact O-N 2.9Å; L420-G422 PolarHBondContact O-N 3.09Å; L420-F423 HydrophobicContact CB-CB 4.41Å; L420-F423 WeakPolarHBondContact O-CB 3.33Å; L420-F423 PolarHBondContact O-N 3.19Å; L420-L426 HydrophobicContact CD1-CD1 3.98Å; L420-L430 HydrophobicContact CB-CD1 4.33Å; L420-L430 VanDerWaalsContact O-CD1 3.24Å; L420-L430 WeakPolarHBondContact O-CD1 3.44Å |
| 421 | Q | 92.3 | Very high | 90.1 | Very high | 46 Ų | 46 | 34.3 Ų | 34.3 | 22% | 0.215 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | 130.6 | 172.7 | -161.3 | -177.6 | 7.9 | 0 | 0 | 110.5 | P182 R210 E417 F418 F423 F435 | P182-Q421 HydrophobicContact CB-CB 4.04Å; P182-Q421 HydrophobicContact CB-CG 4.1Å; P182-Q421 WeakPolarHBondContact CB-O 3.44Å; P182-Q421 HydrophobicContact CG-CB 4.17Å; P182-Q421 HydrophobicContact CG-CG 3.95Å; R210-Q421 PolarHBondContact NH2-O 3.48Å; E417-Q421 PolarHBondContact O-N 3.12Å; E417-Q421 VanDerWaalsContact O-N 3.14Å; F418-Q421 PolarHBondContact O-N 2.69Å; Q421-F423 VanDerWaalsContact C-N 3.32Å; Q421-F423 PolarHBondContact O-N 3.24Å; Q421-F435 HydrophobicContact CB-CE1 4.05Å; Q421-F435 HydrophobicContact CB-CZ 4.29Å; Q421-F435 VanDerWaalsContact CD-CD1 3.46Å; Q421-F435 HydrophobicContact CG-CD1 4.05Å; Q421-F435 HydrophobicContact CG-CD2 4.27Å; Q421-F435 HydrophobicContact CG-CE1 3.83Å; Q421-F435 HydrophobicContact CG-CE2 4.04Å; Q421-F435 HydrophobicContact CG-CG 4.27Å; Q421-F435 HydrophobicContact CG-CZ 3.82Å; Q421-F435 VanDerWaalsContact NE2-CD2 3.34Å |
| 422 | G | 92.1 | Very high | 90.4 | Very high | 15 Ų | 15 | 36 Ų | 36 | 16% | 0.155 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83.1 | -14.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | L420 L424 | L420-G422 PolarHBondContact O-N 3.09Å; G422-L424 PolarHBondContact O-N 2.89Å |
| 423 | F | 96.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.171 | C | C | . | . | trans | -62.2 | 118.1 | -179.8 | -179.6 | -122.8 | 0 | 0 | 0 | 111.6 | A213 V298 L301 F302 L420 Q421 A425 L426 R427 | A213-F423 HydrophobicContact CB-CD2 3.79Å; A213-F423 HydrophobicContact CB-CE2 3.64Å; A213-F423 WeakPolarHBondContact O-CA 3.38Å; V298-F423 HydrophobicContact CG1-CE1 4Å; V298-F423 HydrophobicContact CG1-CE2 4.07Å; V298-F423 HydrophobicContact CG1-CZ 3.74Å; L301-F423 HydrophobicContact CB-CE1 4.16Å; L301-F423 HydrophobicContact CB-CZ 4.34Å; F302-F423 HydrophobicContact CB-CE2 4.29Å; F302-F423 HydrophobicContact CB-CZ 4.16Å; L420-F423 HydrophobicContact CB-CB 4.41Å; L420-F423 WeakPolarHBondContact O-CB 3.33Å; L420-F423 PolarHBondContact O-N 3.19Å; Q421-F423 VanDerWaalsContact C-N 3.32Å; Q421-F423 PolarHBondContact O-N 3.24Å; F423-A425 VanDerWaalsContact C-N 3.35Å; F423-A425 HydrophobicContact CD1-CB 4.2Å; F423-A425 HydrophobicContact CE1-CB 3.68Å; F423-A425 HydrophobicContact CZ-CB 4.07Å; F423-A425 PolarHBondContact O-N 3Å; F423-L426 HydrophobicContact CD1-CB 4.15Å; F423-L426 HydrophobicContact CD1-CD1 4.06Å; F423-L426 HydrophobicContact CD1-CG 4Å; F423-L426 HydrophobicContact CE1-CD1 4.38Å; F423-L426 HydrophobicContact CE1-CG 4.28Å; F423-L426 PolarHBondContact O-N 3.48Å; F423-R427 WeakPolarHBondContact O-CB 3.43Å; F423-R427 PolarHBondContact O-N 3.42Å | ||
| 424 | L | 94.6 | Very high | 90.5 | Very high | 39 Ų | 39 | 35.2 Ų | 35.2 | 20% | 0.204 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -42.4 | -164.9 | -68.9 | 175.7 | 0 | 0 | 0 | 114.1 | A213 H305 G422 L426 R427 | A213-L424 PolarHBondContact O-N 2.91Å; H305-L424 WeakPolarHBondContact NE2-CB 3.25Å; G422-L424 PolarHBondContact O-N 2.89Å; L424-L426 VanDerWaalsContact C-N 3.28Å; L424-L426 PolarHBondContact O-N 3.18Å; L424-R427 PolarHBondContact O-N 2.67Å |
| 425 | A | 92.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -30.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | H305 L372 F423 | H305-A425 HydrophobicContact CB-CB 3.92Å; H305-A425 VanDerWaalsContact CD2-CA 3.48Å; H305-A425 WeakPolarHBondContact CD2-CA 3.36Å; H305-A425 PolarHBondContact CD2-N 3.4Å; H305-A425 VanDerWaalsContact CD2-N 3.3Å; L372-A425 WeakPolarHBondContact CD1-O 3.4Å; F423-A425 VanDerWaalsContact C-N 3.35Å; F423-A425 HydrophobicContact CD1-CB 4.2Å; F423-A425 HydrophobicContact CE1-CB 3.68Å; F423-A425 HydrophobicContact CZ-CB 4.07Å; F423-A425 PolarHBondContact O-N 3Å |
| 426 | L | 94.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.6 | -10.2 | -178.9 | -66.1 | 178.1 | 0 | 0 | 0 | 113.1 | L301 L365 D368 W369 L420 F423 L424 P428 A429 L430 | L301-L426 HydrophobicContact CD1-CD1 4.1Å; L301-L426 HydrophobicContact CD1-CD2 4.06Å; L301-L426 HydrophobicContact CD1-CG 4.18Å; L365-L426 HydrophobicContact CB-CD1 4.45Å; L365-L426 HydrophobicContact CD2-CD1 3.81Å; D368-L426 HydrophobicContact CB-CD2 3.83Å; W369-L426 HydrophobicContact CB-CD2 3.83Å; L420-L426 HydrophobicContact CD1-CD1 3.98Å; F423-L426 HydrophobicContact CD1-CB 4.15Å; F423-L426 HydrophobicContact CD1-CD1 4.06Å; F423-L426 HydrophobicContact CD1-CG 4Å; F423-L426 HydrophobicContact CE1-CD1 4.38Å; F423-L426 HydrophobicContact CE1-CG 4.28Å; F423-L426 PolarHBondContact O-N 3.48Å; L424-L426 VanDerWaalsContact C-N 3.28Å; L424-L426 PolarHBondContact O-N 3.18Å; L426-P428 VanDerWaalsContact C-N 3.26Å; L426-P428 VanDerWaalsContact O-N 3.08Å; L426-A429 PolarHBondContact O-N 2.76Å; L426-L430 HydrophobicContact CB-CD1 4.27Å; L426-L430 HydrophobicContact CB-CG 4.41Å; L426-L430 PolarHBondContact O-N 2.66Å; L426-L430 VanDerWaalsContact O-N 3.14Å |
| 427 | R | 91.6 | Very high | 88.3 | Confident | 91 Ų | 91 | 45.3 Ų | 45.3 | 34% | 0.343 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -49.2 | -37.3 | -177.1 | -171.6 | -179 | 66 | 177.5 | -2.2 | 113.9 | F423 L424 R431 | F423-R427 WeakPolarHBondContact O-CB 3.43Å; F423-R427 PolarHBondContact O-N 3.42Å; L424-R427 PolarHBondContact O-N 2.67Å; R427-R431 WeakPolarHBondContact O-CG 3.47Å; R427-R431 PolarHBondContact O-N 2.91Å |
| 428 | P | 91.3 | Very high | 86.8 | Confident | 43 Ų | 43 | 46 Ų | 46 | 28% | 0.279 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -63.9 | -38.6 | 175.6 | -22.5 | 34.4 | 0 | 0 | 0 | 114.1 | L310 L372 L426 | L310-P428 HydrophobicContact CD1-CG 4.29Å; L372-P428 HydrophobicContact CD1-CB 3.84Å; L372-P428 HydrophobicContact CD1-CG 3.9Å; L372-P428 HydrophobicContact CD2-CB 3.74Å; L372-P428 HydrophobicContact CG-CB 4.43Å; L426-P428 VanDerWaalsContact C-N 3.26Å; L426-P428 VanDerWaalsContact O-N 3.08Å |
| 429 | A | 89.4 | Confident | 85.2 | Confident | 24 Ų | 24 | 48.7 Ų | 48.7 | 20% | 0.198 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -69.6 | -44.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | D368 L372 L426 R431 C432 | D368-A429 HydrophobicContact CB-CB 4.26Å; L372-A429 HydrophobicContact CD1-CB 4.2Å; L426-A429 PolarHBondContact O-N 2.76Å; A429-R431 PolarHBondContact O-N 2.96Å; A429-R431 VanDerWaalsContact O-N 3.12Å; A429-C432 PolarHBondContact O-SG 3.47Å |
| 430 | L | 90.2 | Very high | 83.3 | Confident | 7 Ų | 7 | 52.7 Ų | 52.7 | 4% | 0.037 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -68 | -9.4 | -179 | -58.7 | 178.1 | 0 | 0 | 0 | 114.3 | E417 L420 L426 C432 L433 F435 | E417-L430 HydrophobicContact CB-CD2 3.82Å; E417-L430 HydrophobicContact CG-CD2 3.84Å; L420-L430 HydrophobicContact CB-CD1 4.33Å; L420-L430 VanDerWaalsContact O-CD1 3.24Å; L420-L430 WeakPolarHBondContact O-CD1 3.44Å; L426-L430 HydrophobicContact CB-CD1 4.27Å; L426-L430 HydrophobicContact CB-CG 4.41Å; L426-L430 PolarHBondContact O-N 2.66Å; L426-L430 VanDerWaalsContact O-N 3.14Å; L430-C432 PolarHBondContact O-N 3.24Å; L430-L433 HydrophobicContact CB-CD1 4.36Å; L430-L433 HydrophobicContact CD2-CD1 3.69Å; L430-L433 PolarHBondContact O-N 2.9Å; L430-F435 HydrophobicContact CB-CZ 4.39Å; L430-F435 WeakPolarHBondContact O-CE2 3.41Å |
| 431 | R | 85.5 | Confident | 81.1 | Confident | 177 Ų | 177 | 54.8 Ų | 54.8 | 67% | 0.668 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -19.7 | 178.4 | -84.6 | 168.3 | -178.5 | 167.9 | -3.9 | 114.7 | R427 A429 L433 | R427-R431 WeakPolarHBondContact O-CG 3.47Å; R427-R431 PolarHBondContact O-N 2.91Å; A429-R431 PolarHBondContact O-N 2.96Å; A429-R431 VanDerWaalsContact O-N 3.12Å; R431-L433 VanDerWaalsContact C-N 3.31Å |
| 432 | C | 82.1 | Confident | 79.1 | Confident | 83 Ų | 83 | 55.2 Ų | 55.2 | 56% | 0.561 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | 4.3 | -177.7 | 66.9 | 0 | 0 | 0 | 0 | 114.3 | A429 L430 | A429-C432 PolarHBondContact O-SG 3.47Å; L430-C432 PolarHBondContact O-N 3.24Å |
| 433 | L | 87.7 | Confident | 76.9 | Confident | 17 Ų | 17 | 61.5 Ų | 61.5 | 9% | 0.089 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -107.8 | 143.5 | -169.6 | -51.7 | 175.2 | 0 | 0 | 0 | 111.9 | P413 E417 L430 R431 F435 | P413-L433 HydrophobicContact CB-CB 4.36Å; P413-L433 HydrophobicContact CB-CD1 4.22Å; P413-L433 HydrophobicContact CG-CB 4.15Å; E417-L433 HydrophobicContact CB-CD1 3.78Å; E417-L433 HydrophobicContact CG-CD1 3.95Å; E417-L433 WeakPolarHBondContact OE1-CD1 3.02Å; L430-L433 HydrophobicContact CB-CD1 4.36Å; L430-L433 HydrophobicContact CD2-CD1 3.69Å; L430-L433 PolarHBondContact O-N 2.9Å; R431-L433 VanDerWaalsContact C-N 3.31Å; L433-F435 HydrophobicContact CB-CD2 4.28Å; L433-F435 HydrophobicContact CB-CE2 3.71Å; L433-F435 HydrophobicContact CB-CZ 3.97Å; L433-F435 HydrophobicContact CD1-CE2 4.4Å; L433-F435 HydrophobicContact CD1-CZ 3.91Å; L433-F435 WeakPolarHBondContact O-CD2 3.47Å |
| 434 | D | 84.2 | Confident | 74.5 | Confident | 58 Ų | 58 | 67.5 Ų | 67.5 | 31% | 0.31 | 36% | 0.359 | S | S | . | . | trans | -94.2 | 96.1 | 177.3 | 178.3 | 18.1 | 0 | 0 | 0 | 111.6 | A411 P413 T436 | A411-D434 HydrophobicContact CB-CB 4.3Å; A411-D434 PolarHBondContact O-N 3.29Å; P413-D434 VanDerWaalsContact CD-O 3.26Å; P413-D434 WeakPolarHBondContact CD-O 3.15Å; P413-D434 WeakPolarHBondContact CG-O 3.28Å; D434-T436 VanDerWaalsContact C-N 3.3Å; D434-T436 VanDerWaalsContact CG-OG1 3.31Å; D434-T436 PolarHBondContact O-N 3Å; D434-T436 VanDerWaalsContact OD1-CB 3.23Å; D434-T436 WeakPolarHBondContact OD1-CB 3.48Å; D434-T436 WeakPolarHBondContact OD1-CG2 3.41Å; D434-T436 PolarHBondContact OD1-N 3.39Å; D434-T436 PolarHBondContact OD1-OG1 3.34Å; D434-T436 PolarHBondContact OD2-OG1 2.84Å | ||
| 435 | F | 83.6 | Confident | 72 | Confident | 37 Ų | 37 | 70.7 Ų | 70.7 | 16% | 0.162 | 38% | 0.377 | C | S | . | . | trans | -81.1 | -1.7 | 176.7 | -61.4 | -87 | 0 | 0 | 0 | 114.1 | P413 F418 Q421 L430 L433 K437 G438 | P413-F435 HydrophobicContact CB-CD1 4.02Å; P413-F435 HydrophobicContact CB-CE1 3.71Å; P413-F435 HydrophobicContact CB-CZ 4.33Å; P413-F435 HydrophobicContact CG-CD1 3.58Å; P413-F435 HydrophobicContact CG-CE1 3.76Å; P413-F435 HydrophobicContact CG-CG 4.04Å; P413-F435 HydrophobicContact CG-CZ 4.38Å; F418-F435 AromaticContact CD1-CD1 3.69Å; F418-F435 HydrophobicContact CD1-CD1 3.69Å; F418-F435 HydrophobicContact CD1-CE1 4.25Å; F418-F435 HydrophobicContact CE1-CB 4.34Å; F418-F435 AromaticContact CE1-CD1 3.7Å; F418-F435 HydrophobicContact CE1-CD1 3.7Å; F418-F435 HydrophobicContact CG-CD1 4.29Å; F418-F435 HydrophobicContact CG-CE1 4.45Å; F418-F435 HydrophobicContact CZ-CD1 4.3Å; Q421-F435 HydrophobicContact CB-CE1 4.05Å; Q421-F435 HydrophobicContact CB-CZ 4.29Å; Q421-F435 VanDerWaalsContact CD-CD1 3.46Å; Q421-F435 HydrophobicContact CG-CD1 4.05Å; Q421-F435 HydrophobicContact CG-CD2 4.27Å; Q421-F435 HydrophobicContact CG-CE1 3.83Å; Q421-F435 HydrophobicContact CG-CE2 4.04Å; Q421-F435 HydrophobicContact CG-CG 4.27Å; Q421-F435 HydrophobicContact CG-CZ 3.82Å; Q421-F435 VanDerWaalsContact NE2-CD2 3.34Å; L430-F435 HydrophobicContact CB-CZ 4.39Å; L430-F435 WeakPolarHBondContact O-CE2 3.41Å; L433-F435 HydrophobicContact CB-CD2 4.28Å; L433-F435 HydrophobicContact CB-CE2 3.71Å; L433-F435 HydrophobicContact CB-CZ 3.97Å; L433-F435 HydrophobicContact CD1-CE2 4.4Å; L433-F435 HydrophobicContact CD1-CZ 3.91Å; L433-F435 WeakPolarHBondContact O-CD2 3.47Å; F435-K437 VanDerWaalsContact C-N 3.3Å; F435-K437 PolarHBondContact O-N 3.28Å; F435-G438 PolarHBondContact O-N 3.21Å | ||
| 436 | T | 74.4 | Confident | 69.8 | Low | 121 Ų | 121 | 82.2 Ų | 82.2 | 74% | 0.742 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -29.5 | -168.9 | 60.3 | 0 | 0 | 0 | 0 | 114.3 | D434 G438 | D434-T436 VanDerWaalsContact C-N 3.3Å; D434-T436 VanDerWaalsContact CG-OG1 3.31Å; D434-T436 PolarHBondContact O-N 3Å; D434-T436 VanDerWaalsContact OD1-CB 3.23Å; D434-T436 WeakPolarHBondContact OD1-CB 3.48Å; D434-T436 WeakPolarHBondContact OD1-CG2 3.41Å; D434-T436 PolarHBondContact OD1-N 3.39Å; D434-T436 PolarHBondContact OD1-OG1 3.34Å; D434-T436 PolarHBondContact OD2-OG1 2.84Å; T436-G438 PolarHBondContact O-N 3.1Å |
| 437 | K | 64.3 | Low | 67.7 | Low | 127 Ų | 127 | 88.5 Ų | 88.5 | 55% | 0.552 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -7.2 | 177.4 | -61 | -178.6 | -176.5 | 177 | 0 | 113.8 | L412 F435 G441 | L412-K437 HydrophobicContact CD2-CD 4.12Å; F435-K437 VanDerWaalsContact C-N 3.3Å; F435-K437 PolarHBondContact O-N 3.28Å; K437-G441 PolarHBondContact O-N 3.44Å |
| 438 | G | 61.9 | Low | 66.2 | Low | 17 Ų | 17 | 86.2 Ų | 86.2 | 18% | 0.175 | 46% | 0.459 | C | S | . | . | G | 310 helix | trans | 56.5 | -163.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | F418 F435 T436 Q440 G441 | F418-G438 VanDerWaalsContact CZ-O 3.31Å; F418-G438 WeakPolarHBondContact CZ-O 3.45Å; F435-G438 PolarHBondContact O-N 3.21Å; T436-G438 PolarHBondContact O-N 3.1Å; G438-Q440 PolarHBondContact O-N 2.94Å; G438-G441 PolarHBondContact O-N 2.81Å |
| 439 | H | 55.4 | Low | 65 | Low | 76 Ų | 76 | 88 Ų | 88 | 35% | 0.352 | 47% | 0.465 | S | S | . | . | G | 310 helix | trans | -72 | -13.7 | 178.7 | -66.8 | 25.4 | 0 | 0 | 0 | 113.5 | Q179 F418 G441 I442 | Q179-H439 PolarHBondContact NE2-CD2 3.26Å; Q179-H439 PolarHBondContact NE2-CE1 2.72Å; Q179-H439 PolarHBondContact NE2-NE2 3.33Å; F418-H439 AromaticContact CD1-CE1 3.41Å; F418-H439 VanDerWaalsContact CD1-CE1 3.41Å; F418-H439 WeakPolarHBondContact CD1-CE1 3.48Å; F418-H439 AromaticContact CD1-ND1 3.41Å; F418-H439 WeakPolarHBondContact CD1-ND1 3.08Å; F418-H439 AromaticContact CE1-ND1 3.73Å; F418-H439 AromaticContact CG-CE1 3.67Å; F418-H439 AromaticContact CG-ND1 3.82Å; H439-G441 VanDerWaalsContact C-N 3.26Å; H439-G441 PolarHBondContact O-N 3.34Å; H439-I442 HydrophobicContact CB-CD1 4.04Å; H439-I442 WeakPolarHBondContact O-CB 3.36Å; H439-I442 PolarHBondContact O-N 3.34Å; H439-I442 VanDerWaalsContact O-N 3.11Å |
| 440 | Q | 51.6 | Low | 64.2 | Low | 129 Ų | 129 | 89.3 Ų | 89.3 | 60% | 0.603 | 47% | 0.472 | S | S | * | . | G | 310 helix | trans | -65.3 | -32.2 | 175.3 | -66.7 | -178.8 | -0.8 | 0 | 0 | 111.4 | P117 G438 I442 L443 | P117-Q440 PolarHBondContact O-NE2 2.92Å; G438-Q440 PolarHBondContact O-N 2.94Å; Q440-I442 PolarHBondContact O-N 3.47Å; Q440-L443 PolarHBondContact O-N 2.68Å |
| 441 | G | 48.5 | Very low | 63.6 | Low | 44 Ų | 44 | 90.8 Ų | 90.8 | 45% | 0.454 | 48% | 0.481 | S | S | . | . | G | 310 helix | trans | -70.6 | -3.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | K437 G438 H439 | K437-G441 PolarHBondContact O-N 3.44Å; G438-G441 PolarHBondContact O-N 2.81Å; H439-G441 VanDerWaalsContact C-N 3.26Å; H439-G441 PolarHBondContact O-N 3.34Å |
| 442 | I | 50.5 | Low | 63.4 | Low | 54 Ų | 54 | 86.6 Ų | 86.6 | 28% | 0.277 | 47% | 0.469 | S | S | . | . | G | 310 helix | trans | -98.4 | -24.9 | 176.2 | -43.9 | 170.9 | 0 | 0 | 0 | 111 | P415 F418 H439 Q440 | P415-I442 HydrophobicContact CG-CG2 4.35Å; F418-I442 HydrophobicContact CD2-CD1 3.41Å; F418-I442 VanDerWaalsContact CD2-CD1 3.41Å; F418-I442 HydrophobicContact CD2-CG1 4.11Å; F418-I442 HydrophobicContact CE2-CD1 3.51Å; F418-I442 HydrophobicContact CE2-CG1 3.71Å; F418-I442 HydrophobicContact CG-CD1 4.14Å; F418-I442 HydrophobicContact CZ-CD1 4.3Å; F418-I442 HydrophobicContact CZ-CG1 4.44Å; H439-I442 HydrophobicContact CB-CD1 4.04Å; H439-I442 WeakPolarHBondContact O-CB 3.36Å; H439-I442 PolarHBondContact O-N 3.34Å; H439-I442 VanDerWaalsContact O-N 3.11Å; Q440-I442 PolarHBondContact O-N 3.47Å |
| 443 | L | 46 | Very low | 63.5 | Low | 148 Ų | 148 | 83.4 Ų | 83.4 | 78% | 0.775 | 45% | 0.449 | S | S | * | . | S | Bend | trans | -92.5 | 0.5 | -159.4 | -151.1 | 100.2 | 0 | 0 | 0 | 115.3 | Q440 | Q440-L443 PolarHBondContact O-N 2.68Š|
| 444 | V | 44.3 | Very low | 63.6 | Low | 126 Ų | 126 | 82.9 Ų | 82.9 | 76% | 0.764 | 45% | 0.445 | S | S | * | . | trans | -137.4 | 75.1 | 179.8 | -167.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 445 | D | 43 | Very low | 63.8 | Low | 106 Ų | 106 | 81.7 Ų | 81.7 | 57% | 0.567 | 44% | 0.438 | S | S | * | . | trans | -149.2 | 130.9 | 147.4 | -112.6 | -41.1 | 0 | 0 | 0 | 109.6 | L449 | D445-L449 HydrophobicContact CB-CD1 3.96Å; D445-L449 VanDerWaalsContact CG-CD1 3.48Å; D445-L449 VanDerWaalsContact OD2-CD1 3.31Å; D445-L449 WeakPolarHBondContact OD2-CD1 3.48Å | ||
| 446 | R | 45.7 | Very low | 64.1 | Low | 241 Ų | 241 | 81.1 Ų | 81.1 | 91% | 0.909 | 44% | 0.435 | S | S | * | . | trans | -86.5 | -11.3 | -175.8 | -91.7 | -174.6 | 163.3 | -156.2 | -4.3 | 113.5 | G448 | R446-G448 PolarHBondContact O-N 3.17Š| ||
| 447 | D | 50.5 | Low | 64.8 | Low | 133 Ų | 133 | 77.1 Ų | 77.1 | 71% | 0.711 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -106.3 | 33.7 | -153.5 | -57.2 | -17.7 | 0 | 0 | 0 | 113 | L449 | D447-L449 PolarHBondContact O-N 3.24Š|
| 448 | G | 60.7 | Low | 66.2 | Low | 43 Ų | 43 | 71.2 Ų | 71.2 | 44% | 0.443 | 38% | 0.381 | S | S | . | . | S | Bend | trans | 70.1 | 3.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | R446 P450 V451 H452 | R446-G448 PolarHBondContact O-N 3.17Å; G448-P450 VanDerWaalsContact C-CD 3.43Å; G448-P450 VanDerWaalsContact O-N 3.15Å; G448-V451 WeakPolarHBondContact O-CB 3.24Å; G448-V451 PolarHBondContact O-N 3.5Å; G448-H452 PolarHBondContact O-N 3.38Å |
| 449 | L | 66.3 | Low | 67.7 | Low | 80 Ų | 80 | 70.6 Ų | 70.6 | 42% | 0.419 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -48.1 | -39.7 | -175.7 | -79.2 | 158.2 | 0 | 0 | 0 | 115.8 | D445 D447 V451 H452 A453 | D445-L449 HydrophobicContact CB-CD1 3.96Å; D445-L449 VanDerWaalsContact CG-CD1 3.48Å; D445-L449 VanDerWaalsContact OD2-CD1 3.31Å; D445-L449 WeakPolarHBondContact OD2-CD1 3.48Å; D447-L449 PolarHBondContact O-N 3.24Å; L449-V451 VanDerWaalsContact C-N 3.27Å; L449-V451 PolarHBondContact O-N 2.85Å; L449-H452 PolarHBondContact O-N 3.11Å; L449-A453 WeakPolarHBondContact O-CB 3.36Å; L449-A453 PolarHBondContact O-N 3.29Å |
| 450 | P | 71.7 | Confident | 69.4 | Low | 52 Ų | 52 | 68.5 Ų | 68.5 | 34% | 0.338 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -62.4 | -29.5 | 175.1 | -24.6 | 35.4 | 0 | 0 | 0 | 114.2 | L414 G448 R454 | L414-P450 WeakPolarHBondContact CD2-O 3.36Å; G448-P450 VanDerWaalsContact C-CD 3.43Å; G448-P450 VanDerWaalsContact O-N 3.15Å; P450-R454 WeakPolarHBondContact O-CB 3.29Å; P450-R454 PolarHBondContact O-N 2.65Å; P450-R454 VanDerWaalsContact O-N 3.13Å |
| 451 | V | 78.4 | Confident | 71.4 | Confident | 37 Ų | 37 | 62.8 Ų | 62.8 | 22% | 0.224 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -75.1 | -46.4 | 176.5 | 176.4 | 0 | 0 | 0 | 0 | 110.3 | G356 G448 L449 A453 R454 H455 | G356-V451 VanDerWaalsContact CA-CG1 3.47Å; G448-V451 WeakPolarHBondContact O-CB 3.24Å; G448-V451 PolarHBondContact O-N 3.5Å; L449-V451 VanDerWaalsContact C-N 3.27Å; L449-V451 PolarHBondContact O-N 2.85Å; V451-A453 PolarHBondContact O-N 3.23Å; V451-R454 WeakPolarHBondContact O-CB 3.47Å; V451-R454 PolarHBondContact O-N 2.96Å; V451-R454 VanDerWaalsContact O-N 3.15Å; V451-H455 PolarHBondContact O-CD2 3.09Å; V451-H455 PolarHBondContact O-N 3.01Å |
| 452 | H | 80.6 | Confident | 73.6 | Confident | 89 Ų | 89 | 60.7 Ų | 60.7 | 41% | 0.412 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -61.2 | -45.8 | 176.3 | 178.6 | 59.7 | 0 | 0 | 0 | 111.5 | D405 G448 L449 R454 H455 Q456 | D405-H452 IonicContact OD1-CE1 3.46Å; D405-H452 PolarHBondContact OD1-CE1 2.78Å; D405-H452 IonicContact OD1-NE2 2.65Å; G448-H452 PolarHBondContact O-N 3.38Å; L449-H452 PolarHBondContact O-N 3.11Å; H452-R454 VanDerWaalsContact C-N 3.29Å; H452-R454 PolarHBondContact O-N 2.99Å; H452-H455 WeakPolarHBondContact O-CB 3.44Å; H452-H455 PolarHBondContact O-N 3.29Å; H452-H455 VanDerWaalsContact O-N 3.08Å; H452-Q456 PolarHBondContact NE2-NE2 3.12Å; H452-Q456 VanDerWaalsContact NE2-NE2 3.11Å; H452-Q456 WeakPolarHBondContact O-CG 3.4Å; H452-Q456 PolarHBondContact O-N 2.99Å |
| 453 | A | 85.3 | Confident | 75.7 | Confident | 17 Ų | 17 | 60.5 Ų | 60.5 | 14% | 0.14 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -59.3 | -37.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L414 L449 V451 Q456 R457 | L414-A453 HydrophobicContact CD2-CB 4.1Å; L449-A453 WeakPolarHBondContact O-CB 3.36Å; L449-A453 PolarHBondContact O-N 3.29Å; V451-A453 PolarHBondContact O-N 3.23Å; A453-Q456 PolarHBondContact O-N 3.36Å; A453-R457 WeakPolarHBondContact O-CB 3.46Å; A453-R457 WeakPolarHBondContact O-CG 3.49Å; A453-R457 PolarHBondContact O-N 3.13Å |
| 454 | R | 88.9 | Confident | 78 | Confident | 6 Ų | 6 | 55.8 Ų | 55.8 | 2% | 0.023 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66.7 | -38.7 | 173.5 | -173.7 | 178.3 | -65.8 | 121.8 | 2.6 | 112.5 | G356 L414 E416 P450 V451 H452 R457 L458 | G356-R454 PolarHBondContact O-NH1 2.94Å; L414-R454 HydrophobicContact CD1-CB 3.95Å; L414-R454 HydrophobicContact CD1-CG 4.2Å; L414-R454 HydrophobicContact CD2-CB 4.39Å; E416-R454 IonicContact OE1-CZ 2.89Å; E416-R454 IonicContact OE1-NE 3.78Å; E416-R454 PolarHBondContact OE1-NE 2.81Å; E416-R454 IonicContact OE1-NH2 2.73Å; E416-R454 PolarHBondContact OE1-NH2 2.87Å; E416-R454 IonicContact OE2-CZ 2.74Å; E416-R454 IonicContact OE2-NE 2.73Å; E416-R454 IonicContact OE2-NH2 3.93Å; E416-R454 PolarHBondContact OE2-NH2 3.48Å; P450-R454 WeakPolarHBondContact O-CB 3.29Å; P450-R454 PolarHBondContact O-N 2.65Å; P450-R454 VanDerWaalsContact O-N 3.13Å; V451-R454 WeakPolarHBondContact O-CB 3.47Å; V451-R454 PolarHBondContact O-N 2.96Å; V451-R454 VanDerWaalsContact O-N 3.15Å; H452-R454 VanDerWaalsContact C-N 3.29Å; H452-R454 PolarHBondContact O-N 2.99Å; R454-R457 PolarHBondContact O-N 2.92Å; R454-L458 HydrophobicContact CG-CD1 4.43Å; R454-L458 WeakPolarHBondContact O-CG 3.36Å; R454-L458 PolarHBondContact O-N 2.91Å |
| 455 | H | 88.6 | Confident | 80.3 | Confident | 33 Ų | 33 | 49.9 Ų | 49.9 | 15% | 0.153 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.2 | -47.2 | 173.5 | -63.8 | 176.6 | 0 | 0 | 0 | 110.7 | F399 V451 H452 R457 L458 V459 | F399-H455 HydrophobicContact CB-CB 4.43Å; F399-H455 HydrophobicContact CD1-CB 4.31Å; F399-H455 AromaticContact CD1-CD2 3.9Å; F399-H455 AromaticContact CD1-CE1 3.72Å; F399-H455 AromaticContact CD1-CG 3.7Å; F399-H455 AromaticContact CD1-ND1 3.58Å; F399-H455 AromaticContact CD1-NE2 3.94Å; F399-H455 HydrophobicContact CD2-CB 4.24Å; F399-H455 AromaticContact CE1-CD2 3.56Å; F399-H455 AromaticContact CE1-CE1 3.78Å; F399-H455 AromaticContact CE1-CG 3.87Å; F399-H455 AromaticContact CE1-ND1 3.98Å; F399-H455 AromaticContact CE1-NE2 3.53Å; F399-H455 HydrophobicContact CG-CB 4.09Å; F399-H455 AromaticContact CG-CG 3.99Å; F399-H455 AromaticContact CZ-CD2 3.85Å; V451-H455 PolarHBondContact O-CD2 3.09Å; V451-H455 PolarHBondContact O-N 3.01Å; H452-H455 WeakPolarHBondContact O-CB 3.44Å; H452-H455 PolarHBondContact O-N 3.29Å; H452-H455 VanDerWaalsContact O-N 3.08Å; H455-R457 VanDerWaalsContact C-N 3.32Å; H455-R457 PolarHBondContact O-N 3.48Å; H455-L458 PolarHBondContact O-N 2.79Å; H455-L458 VanDerWaalsContact O-N 3.12Å; H455-V459 WeakPolarHBondContact O-CB 3.33Å; H455-V459 WeakPolarHBondContact O-CG2 3.42Å; H455-V459 PolarHBondContact O-N 2.94Å |
| 456 | Q | 88.7 | Confident | 82.7 | Confident | 24 Ų | 24 | 45.1 Ų | 45.1 | 11% | 0.112 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -56.4 | -43 | 174.2 | -68.4 | -178 | -32 | 0 | 0 | 112.3 | D405 S408 H452 A453 V459 A460 | D405-Q456 HydrophobicContact CB-CG 4.15Å; D405-Q456 PolarHBondContact OD1-NE2 3.35Å; S408-Q456 PolarHBondContact OG-NE2 3.5Å; H452-Q456 PolarHBondContact NE2-NE2 3.12Å; H452-Q456 VanDerWaalsContact NE2-NE2 3.11Å; H452-Q456 WeakPolarHBondContact O-CG 3.4Å; H452-Q456 PolarHBondContact O-N 2.99Å; A453-Q456 PolarHBondContact O-N 3.36Å; Q456-V459 PolarHBondContact O-N 2.71Å; Q456-A460 WeakPolarHBondContact O-CB 3.45Å; Q456-A460 PolarHBondContact O-N 3.01Å |
| 457 | R | 90.4 | Very high | 85 | Confident | 37 Ų | 37 | 38.3 Ų | 38.3 | 14% | 0.14 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.2 | -44.4 | 174.8 | -70.5 | -79 | 172.9 | 178 | -6.1 | 112.1 | K364 S410 L414 A453 R454 H455 L461 | K364-R457 HydrophobicContact CG-CB 4.47Å; S410-R457 PolarHBondContact O-NH2 2.85Å; L414-R457 HydrophobicContact CD1-CG 4.28Å; A453-R457 WeakPolarHBondContact O-CB 3.46Å; A453-R457 WeakPolarHBondContact O-CG 3.49Å; A453-R457 PolarHBondContact O-N 3.13Å; R454-R457 PolarHBondContact O-N 2.92Å; H455-R457 VanDerWaalsContact C-N 3.32Å; H455-R457 PolarHBondContact O-N 3.48Å; R457-L461 WeakPolarHBondContact O-CB 3.3Å; R457-L461 WeakPolarHBondContact O-CD1 3.46Å; R457-L461 VanDerWaalsContact O-CG 3.27Å; R457-L461 WeakPolarHBondContact O-CG 3.34Å; R457-L461 PolarHBondContact O-N 3.32Å |
| 458 | L | 92.8 | Very high | 87 | Confident | 3 Ų | 3 | 33.9 Ų | 33.9 | 2% | 0.016 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.4 | -40.3 | 176.4 | -75.7 | 168.1 | 0 | 0 | 0 | 112.4 | L360 I363 K364 L367 L396 F399 R454 H455 L461 G462 | L360-L458 HydrophobicContact CB-CD1 4.38Å; L360-L458 HydrophobicContact CD2-CD1 3.77Å; I363-L458 HydrophobicContact CG2-CD2 4.08Å; K364-L458 HydrophobicContact CB-CD2 3.78Å; K364-L458 HydrophobicContact CB-CG 4.24Å; K364-L458 HydrophobicContact CG-CD2 4.28Å; K364-L458 HydrophobicContact CG-CG 4.43Å; L367-L458 HydrophobicContact CD1-CD2 3.84Å; L396-L458 HydrophobicContact CD2-CB 4.27Å; L396-L458 WeakPolarHBondContact CD2-O 3.28Å; F399-L458 HydrophobicContact CE2-CB 4.11Å; F399-L458 HydrophobicContact CE2-CD1 4.07Å; F399-L458 HydrophobicContact CZ-CD1 4.05Å; R454-L458 HydrophobicContact CG-CD1 4.43Å; R454-L458 WeakPolarHBondContact O-CG 3.36Å; R454-L458 PolarHBondContact O-N 2.91Å; H455-L458 PolarHBondContact O-N 2.79Å; H455-L458 VanDerWaalsContact O-N 3.12Å; L458-L461 PolarHBondContact O-N 2.97Å; L458-G462 PolarHBondContact O-N 3.29Å |
| 459 | V | 93.1 | Very high | 88.4 | Confident | 4 Ų | 4 | 34.3 Ų | 34.3 | 2% | 0.024 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.9 | -43.3 | 177 | 172.4 | 0 | 0 | 0 | 0 | 111.1 | L396 F399 P401 L406 H455 Q456 L461 G462 K463 L483 F485 | L396-V459 HydrophobicContact CD2-CG2 4.48Å; F399-V459 HydrophobicContact CD2-CG2 3.97Å; P401-V459 HydrophobicContact CB-CB 4.27Å; P401-V459 HydrophobicContact CB-CG1 3.52Å; P401-V459 HydrophobicContact CB-CG2 3.67Å; P401-V459 HydrophobicContact CG-CG1 4.3Å; P401-V459 HydrophobicContact CG-CG2 4.22Å; L406-V459 HydrophobicContact CD2-CG1 3.95Å; H455-V459 WeakPolarHBondContact O-CB 3.33Å; H455-V459 WeakPolarHBondContact O-CG2 3.42Å; H455-V459 PolarHBondContact O-N 2.94Å; Q456-V459 PolarHBondContact O-N 2.71Å; V459-L461 VanDerWaalsContact C-N 3.32Å; V459-L461 PolarHBondContact O-N 2.9Å; V459-G462 PolarHBondContact O-N 3.32Å; V459-K463 WeakPolarHBondContact O-CB 3.39Å; V459-K463 PolarHBondContact O-N 3.48Å; V459-L483 HydrophobicContact CG1-CD1 4.14Å; V459-F485 HydrophobicContact CG1-CE2 4.36Å; V459-F485 HydrophobicContact CG1-CZ 4.39Å |
| 460 | A | 92.6 | Very high | 89.4 | Confident | 33 Ų | 33 | 34.2 Ų | 34.2 | 27% | 0.273 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -65.9 | -32.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | L406 Q456 W464 | L406-A460 HydrophobicContact CD2-CB 3.84Å; Q456-A460 WeakPolarHBondContact O-CB 3.45Å; Q456-A460 PolarHBondContact O-N 3.01Å; A460-W464 WeakPolarHBondContact O-CB 3.41Å; A460-W464 PolarHBondContact O-N 2.91Å; A460-W464 VanDerWaalsContact O-N 3.13Å |
| 461 | L | 93.9 | Very high | 90.2 | Very high | 8 Ų | 8 | 34.7 Ų | 34.7 | 4% | 0.042 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -70.2 | -43.7 | 171.3 | -73.5 | 163.1 | 0 | 0 | 0 | 111.3 | K364 L367 K371 R457 L458 V459 W464 V465 | K364-L461 HydrophobicContact CG-CD1 4.2Å; L367-L461 HydrophobicContact CB-CB 4.22Å; L367-L461 HydrophobicContact CB-CD1 3.89Å; L367-L461 HydrophobicContact CB-CD2 4.4Å; L367-L461 HydrophobicContact CB-CG 4.4Å; K371-L461 HydrophobicContact CB-CD2 4.22Å; K371-L461 HydrophobicContact CD-CD2 3.62Å; R457-L461 WeakPolarHBondContact O-CB 3.3Å; R457-L461 WeakPolarHBondContact O-CD1 3.46Å; R457-L461 VanDerWaalsContact O-CG 3.27Å; R457-L461 WeakPolarHBondContact O-CG 3.34Å; R457-L461 PolarHBondContact O-N 3.32Å; L458-L461 PolarHBondContact O-N 2.97Å; V459-L461 VanDerWaalsContact C-N 3.32Å; V459-L461 PolarHBondContact O-N 2.9Å; L461-W464 WeakPolarHBondContact O-CB 3.29Å; L461-W464 PolarHBondContact O-N 3.42Å; L461-V465 WeakPolarHBondContact O-CG2 3.5Å; L461-V465 PolarHBondContact O-N 3.1Å |
| 462 | G | 94.5 | Very high | 90.9 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61 | -44.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | L458 V459 W464 V465 A466 F485 | L458-G462 PolarHBondContact O-N 3.29Å; V459-G462 PolarHBondContact O-N 3.32Å; G462-W464 VanDerWaalsContact C-N 3.34Å; G462-W464 PolarHBondContact O-N 2.97Å; G462-V465 PolarHBondContact O-N 3.4Å; G462-A466 PolarHBondContact O-N 3.12Å; G462-F485 VanDerWaalsContact C-CE1 3.48Å |
| 463 | K | 93.5 | Very high | 91.5 | Very high | 51 Ų | 51 | 29.7 Ų | 29.7 | 22% | 0.222 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.2 | -43.4 | 173.6 | -175.3 | 63.1 | 171 | 70.6 | 0 | 111.3 | L406 V459 V465 A466 D467 C475 F485 | L406-K463 HydrophobicContact CD1-CB 4.34Å; L406-K463 HydrophobicContact CD1-CG 4Å; L406-K463 HydrophobicContact CD2-CB 4.48Å; V459-K463 WeakPolarHBondContact O-CB 3.39Å; V459-K463 PolarHBondContact O-N 3.48Å; K463-V465 PolarHBondContact O-N 2.84Å; K463-A466 PolarHBondContact O-N 3.1Å; K463-D467 IonicContact NZ-OD1 3.16Å; K463-D467 PolarHBondContact NZ-OD1 3.44Å; K463-D467 IonicContact NZ-OD2 2.71Å; K463-D467 PolarHBondContact NZ-OD2 2.89Å; K463-D467 PolarHBondContact O-N 3.36Å; K463-C475 HydrophobicContact CD-CB 3.91Å; K463-F485 HydrophobicContact CB-CE1 4.41Å; K463-F485 HydrophobicContact CB-CZ 4.38Å |
| 464 | W | 93.9 | Very high | 91.9 | Very high | 48 Ų | 48 | 33.3 Ų | 33.3 | 18% | 0.182 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.7 | -38.9 | 174.7 | 175.9 | 84.2 | 0 | 0 | 0 | 112.9 | K371 T374 F377 A460 L461 G462 D467 S468 | K371-W464 HydrophobicContact CB-CD2 4.14Å; K371-W464 HydrophobicContact CB-CE3 3.83Å; K371-W464 HydrophobicContact CB-CH2 4.18Å; K371-W464 HydrophobicContact CB-CZ2 4.4Å; K371-W464 HydrophobicContact CB-CZ3 3.87Å; K371-W464 HydrophobicContact CD-CB 4.36Å; K371-W464 HydrophobicContact CD-CD2 3.68Å; K371-W464 HydrophobicContact CD-CE3 4.08Å; K371-W464 HydrophobicContact CD-CG 3.75Å; K371-W464 HydrophobicContact CG-CD2 3.66Å; K371-W464 HydrophobicContact CG-CE3 3.9Å; K371-W464 HydrophobicContact CG-CG 4.23Å; K371-W464 HydrophobicContact CG-CH2 4.33Å; K371-W464 HydrophobicContact CG-CZ2 4.05Å; K371-W464 HydrophobicContact CG-CZ3 4.24Å; T374-W464 HydrophobicContact CG2-CH2 3.91Å; T374-W464 HydrophobicContact CG2-CZ2 3.69Å; F377-W464 HydrophobicContact CE2-CH2 4.16Å; F377-W464 HydrophobicContact CE2-CZ3 4.41Å; F377-W464 HydrophobicContact CZ-CH2 4.38Å; F377-W464 HydrophobicContact CZ-CZ3 4.18Å; A460-W464 WeakPolarHBondContact O-CB 3.41Å; A460-W464 PolarHBondContact O-N 2.91Å; A460-W464 VanDerWaalsContact O-N 3.13Å; L461-W464 WeakPolarHBondContact O-CB 3.29Å; L461-W464 PolarHBondContact O-N 3.42Å; G462-W464 VanDerWaalsContact C-N 3.34Å; G462-W464 PolarHBondContact O-N 2.97Å; W464-D467 PolarHBondContact O-N 2.82Å; W464-S468 WeakPolarHBondContact CZ2-OG 3.5Å; W464-S468 PolarHBondContact NE1-OG 3.14Å; W464-S468 WeakPolarHBondContact O-CB 3.48Å; W464-S468 PolarHBondContact O-N 3.37Å; W464-S468 PolarHBondContact O-OG 3.48Å |
| 465 | V | 93.9 | Very high | 92.1 | Very high | 2 Ų | 2 | 34.6 Ų | 34.6 | 1% | 0.012 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.9 | -44 | 173.4 | 174.9 | 0 | 0 | 0 | 0 | 110.3 | W389 L461 G462 K463 D467 S468 Q469 I473 | W389-V465 HydrophobicContact CZ3-CG1 4.4Å; L461-V465 WeakPolarHBondContact O-CG2 3.5Å; L461-V465 PolarHBondContact O-N 3.1Å; G462-V465 PolarHBondContact O-N 3.4Å; K463-V465 PolarHBondContact O-N 2.84Å; V465-D467 VanDerWaalsContact C-N 3.32Å; V465-D467 PolarHBondContact O-N 3.22Å; V465-S468 PolarHBondContact O-N 3.23Å; V465-Q469 CarbonylContact O-C 3.46Å; V465-Q469 WeakPolarHBondContact O-CA 3.48Å; V465-Q469 PolarHBondContact O-N 3.36Å; V465-I473 HydrophobicContact CB-CD1 4.49Å; V465-I473 HydrophobicContact CG1-CB 4.31Å; V465-I473 HydrophobicContact CG1-CD1 3.94Å; V465-I473 HydrophobicContact CG1-CG1 4.16Å |
| 466 | A | 93.6 | Very high | 92.2 | Very high | 6 Ų | 6 | 37.5 Ų | 37.5 | 5% | 0.05 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.2 | -37.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | G462 K463 I473 C475 | G462-A466 PolarHBondContact O-N 3.12Å; K463-A466 PolarHBondContact O-N 3.1Å; A466-I473 WeakPolarHBondContact CA-O 3.3Å; A466-I473 HydrophobicContact CB-CB 4.35Å; A466-I473 HydrophobicContact CB-CG2 3.93Å; A466-C475 HydrophobicContact CB-CB 3.74Å |
| 467 | D | 92.8 | Very high | 92.2 | Very high | 98 Ų | 98 | 39.6 Ų | 39.6 | 52% | 0.524 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -77.1 | -30.7 | 178.5 | -63.4 | -24.4 | 0 | 0 | 0 | 112.5 | K463 W464 V465 | K463-D467 IonicContact NZ-OD1 3.16Å; K463-D467 PolarHBondContact NZ-OD1 3.44Å; K463-D467 IonicContact NZ-OD2 2.71Å; K463-D467 PolarHBondContact NZ-OD2 2.89Å; K463-D467 PolarHBondContact O-N 3.36Å; W464-D467 PolarHBondContact O-N 2.82Å; V465-D467 VanDerWaalsContact C-N 3.32Å; V465-D467 PolarHBondContact O-N 3.22Å |
| 468 | S | 92.2 | Very high | 92.1 | Very high | 41 Ų | 41 | 40.8 Ų | 40.8 | 29% | 0.287 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -95.1 | -25.5 | -174.7 | -52 | 0 | 0 | 0 | 0 | 114 | W464 V465 | W464-S468 WeakPolarHBondContact CZ2-OG 3.5Å; W464-S468 PolarHBondContact NE1-OG 3.14Å; W464-S468 WeakPolarHBondContact O-CB 3.48Å; W464-S468 PolarHBondContact O-N 3.37Å; W464-S468 PolarHBondContact O-OG 3.48Å; V465-S468 PolarHBondContact O-N 3.23Å |
| 469 | Q | 91 | Very high | 91.4 | Very high | 51 Ų | 51 | 50.5 Ų | 50.5 | 24% | 0.238 | 28% | 0.278 | C | S | . | . | trans | -139.1 | 69.2 | -179.9 | -62.9 | -62.9 | -20.3 | 0 | 0 | 111 | F377 V465 G471 L472 I473 | F377-Q469 HydrophobicContact CB-CG 4.3Å; F377-Q469 HydrophobicContact CD1-CG 3.92Å; F377-Q469 HydrophobicContact CD2-CG 4.25Å; F377-Q469 HydrophobicContact CE1-CG 4.23Å; F377-Q469 HydrophobicContact CG-CG 3.9Å; V465-Q469 CarbonylContact O-C 3.46Å; V465-Q469 WeakPolarHBondContact O-CA 3.48Å; V465-Q469 PolarHBondContact O-N 3.36Å; Q469-G471 PolarHBondContact O-N 3.32Å; Q469-L472 HydrophobicContact CB-CB 4.31Å; Q469-L472 HydrophobicContact CB-CD1 3.82Å; Q469-L472 HydrophobicContact CB-CG 4.09Å; Q469-L472 HydrophobicContact CG-CD1 4.2Å; Q469-L472 PolarHBondContact O-N 3.01Å; Q469-I473 PolarHBondContact O-N 3.05Å | ||
| 470 | P | 87.8 | Confident | 90.8 | Very high | 78 Ų | 78 | 57.3 Ų | 57.3 | 51% | 0.506 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -15.8 | -174.4 | -24.1 | 34.8 | 0 | 0 | 0 | 115.5 | L472 I473 R474 | P470-L472 VanDerWaalsContact C-N 3.34Å; P470-I473 WeakPolarHBondContact CA-O 3.21Å; P470-R474 WeakPolarHBondContact O-CG 3.48Å |
| 471 | G | 88.3 | Confident | 90.4 | Very high | 62 Ų | 62 | 56.8 Ų | 56.8 | 64% | 0.639 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -8.5 | 174 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q469 | Q469-G471 PolarHBondContact O-N 3.32Š|
| 472 | L | 91.9 | Very high | 90.2 | Very high | 21 Ų | 21 | 59.1 Ų | 59.1 | 11% | 0.11 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.4 | -45 | 178 | -58.1 | 179.9 | 0 | 0 | 0 | 111.6 | F377 W389 Q469 P470 T487 I489 | F377-L472 HydrophobicContact CD1-CD1 3.51Å; F377-L472 HydrophobicContact CE1-CD1 4.08Å; F377-L472 HydrophobicContact CG-CD1 4.48Å; W389-L472 HydrophobicContact CD2-CB 4.47Å; W389-L472 HydrophobicContact CG-CB 4.18Å; W389-L472 HydrophobicContact CZ2-CD1 4.21Å; Q469-L472 HydrophobicContact CB-CB 4.31Å; Q469-L472 HydrophobicContact CB-CD1 3.82Å; Q469-L472 HydrophobicContact CB-CG 4.09Å; Q469-L472 HydrophobicContact CG-CD1 4.2Å; Q469-L472 PolarHBondContact O-N 3.01Å; P470-L472 VanDerWaalsContact C-N 3.34Å; L472-T487 VanDerWaalsContact O-CB 3.28Å; L472-T487 WeakPolarHBondContact O-CB 3.22Å; L472-T487 PolarHBondContact O-OG1 3.31Å; L472-I489 HydrophobicContact CD2-CD1 4.05Å |
| 473 | I | 94.1 | Very high | 90 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 33% | 0.325 | C | S | . | . | trans | -139 | 143.8 | 176.1 | -59.9 | -176.1 | 0 | 0 | 0 | 108 | W389 L392 V393 V465 A466 Q469 P470 F485 L486 | W389-I473 HydrophobicContact CB-CG1 4.19Å; W389-I473 HydrophobicContact CE3-CD1 4.15Å; L392-I473 HydrophobicContact CD2-CD1 4.06Å; L392-I473 HydrophobicContact CG-CD1 4.45Å; V393-I473 HydrophobicContact CG2-CB 4.39Å; V393-I473 HydrophobicContact CG2-CD1 3.89Å; V393-I473 HydrophobicContact CG2-CG1 3.85Å; V393-I473 HydrophobicContact CG2-CG2 3.83Å; V465-I473 HydrophobicContact CB-CD1 4.49Å; V465-I473 HydrophobicContact CG1-CB 4.31Å; V465-I473 HydrophobicContact CG1-CD1 3.94Å; V465-I473 HydrophobicContact CG1-CG1 4.16Å; A466-I473 WeakPolarHBondContact CA-O 3.3Å; A466-I473 HydrophobicContact CB-CB 4.35Å; A466-I473 HydrophobicContact CB-CG2 3.93Å; Q469-I473 PolarHBondContact O-N 3.05Å; P470-I473 WeakPolarHBondContact CA-O 3.21Å; I473-F485 HydrophobicContact CG2-CB 4.48Å; I473-F485 HydrophobicContact CG2-CD1 3.93Å; I473-L486 CarbonylContact C-O 3.59Å; I473-L486 WeakPolarHBondContact CA-O 3.48Å | ||
| 474 | R | 94 | Very high | 90 | Very high | 94 Ų | 94 | 59.5 Ų | 59.5 | 36% | 0.355 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 151.5 | 167.4 | -61.4 | -168.9 | -76.7 | 124.4 | -6.5 | 108.7 | P470 F485 L486 D488 | P470-R474 WeakPolarHBondContact O-CG 3.48Å; R474-F485 CarbonylContact O-C 3.59Å; R474-F485 WeakPolarHBondContact O-CA 3.28Å; R474-L486 HydrophobicContact CB-CB 4.47Å; R474-L486 PolarHBondContact N-O 3.38Å; R474-L486 PolarHBondContact O-N 2.95Å; R474-D488 IonicContact CZ-OD1 2.66Å; R474-D488 IonicContact CZ-OD2 2.75Å; R474-D488 IonicContact NE-OD2 2.84Å; R474-D488 PolarHBondContact NE-OD2 2.63Å; R474-D488 IonicContact NH2-OD1 2.71Å; R474-D488 PolarHBondContact NH2-OD1 3.37Å; R474-D488 IonicContact NH2-OD2 2.64Å; R474-D488 PolarHBondContact NH2-OD2 2.94Å |
| 475 | C | 92.9 | Very high | 90 | Very high | 32 Ų | 32 | 57.2 Ų | 57.2 | 22% | 0.216 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 135.3 | 177.3 | -173.9 | 0 | 0 | 0 | 0 | 109.3 | K463 A466 L484 F485 | K463-C475 HydrophobicContact CD-CB 3.91Å; A466-C475 HydrophobicContact CB-CB 3.74Å; C475-L484 WeakPolarHBondContact CA-O 3.46Å; C475-F485 HydrophobicContact CB-CD1 3.95Å; C475-F485 HydrophobicContact CB-CE1 3.9Å |
| 476 | Q | 91.5 | Very high | 90 | Very high | 94 Ų | 94 | 59.6 Ų | 59.6 | 44% | 0.439 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 152.2 | 177 | -65.4 | -178.1 | -11.4 | 0 | 0 | 109.2 | L483 L484 L486 | Q476-L483 WeakPolarHBondContact O-CA 3.22Å; Q476-L484 PolarHBondContact N-O 3.03Å; Q476-L484 PolarHBondContact O-N 2.87Å; Q476-L486 HydrophobicContact CG-CD1 4.18Å |
| 477 | V | 88.6 | Confident | 90.1 | Very high | 69 Ų | 69 | 60.9 Ų | 60.9 | 42% | 0.418 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 124.9 | 172.6 | -163.8 | 0 | 0 | 0 | 0 | 107.3 | L483 | V477-L483 HydrophobicContact CB-CD2 4.43Å; V477-L483 HydrophobicContact CG1-CD2 4.24Å; V477-L483 HydrophobicContact CG2-CD2 3.8Å |
| 478 | N | 86.4 | Confident | 90 | Very high | 62 Ų | 62 | 61.4 Ų | 61.4 | 33% | 0.332 | 34% | 0.342 | S | S | . | . | trans | -78.6 | 164.3 | 174 | -68.1 | -7.3 | 0 | 0 | 0 | 110.5 | D480 G481 L482 | N478-D480 PolarHBondContact O-N 3.08Å; N478-D480 VanDerWaalsContact O-N 3.12Å; N478-G481 PolarHBondContact O-N 3.29Å; N478-L482 HydrophobicContact CB-CB 4.36Å; N478-L482 PolarHBondContact N-O 3.05Å | ||
| 479 | E | 78.3 | Confident | 90 | Very high | 207 Ų | 207 | 60.5 Ų | 60.5 | 97% | 0.967 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -27.5 | 179.4 | -59.7 | -174.9 | 161.9 | 0 | 0 | 113 | G481 | E479-G481 VanDerWaalsContact C-N 3.27Å; E479-G481 PolarHBondContact O-N 3.27Å |
| 480 | D | 81.6 | Confident | 89.8 | Confident | 146 Ų | 146 | 63.3 Ų | 63.3 | 78% | 0.781 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | 6.6 | 174.4 | -54.7 | -67 | 0 | 0 | 0 | 114.8 | N478 L482 | N478-D480 PolarHBondContact O-N 3.08Å; N478-D480 VanDerWaalsContact O-N 3.12Å; D480-L482 PolarHBondContact O-N 3.3Å |
| 481 | G | 83.5 | Confident | 89.6 | Confident | 23 Ų | 23 | 64.7 Ų | 64.7 | 24% | 0.237 | 36% | 0.356 | C | S | . | . | S | Bend | trans | 73.7 | 8.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | R402 E403 N478 E479 | R402-G481 WeakPolarHBondContact CA-O 3.47Å; E403-G481 PolarHBondContact N-O 3.07Å; N478-G481 PolarHBondContact O-N 3.29Å; E479-G481 VanDerWaalsContact C-N 3.27Å; E479-G481 PolarHBondContact O-N 3.27Å |
| 482 | L | 89.3 | Confident | 89.3 | Confident | 57 Ų | 57 | 67.1 Ų | 67.1 | 30% | 0.298 | 35% | 0.351 | S | S | . | . | B | Isolated β-bridge | trans | -76.5 | 132.2 | 174.9 | -170 | 78.5 | 0 | 0 | 0 | 110.5 | Q400 P401 N478 D480 | Q400-L482 HydrophobicContact CB-CD1 4.34Å; Q400-L482 WeakPolarHBondContact O-CD1 3.35Å; P401-L482 WeakPolarHBondContact O-CD1 3.42Å; N478-L482 HydrophobicContact CB-CB 4.36Å; N478-L482 PolarHBondContact N-O 3.05Å; D480-L482 PolarHBondContact O-N 3.3Å |
| 483 | L | 91.5 | Very high | 88.4 | Confident | 2 Ų | 2 | 70.4 Ų | 70.4 | 1% | 0.01 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 124.2 | 174.9 | -59.1 | 176.9 | 0 | 0 | 0 | 110.3 | P401 E403 L406 V459 Q476 V477 F485 | P401-L483 HydrophobicContact CB-CB 4.35Å; P401-L483 HydrophobicContact CB-CD1 4.44Å; P401-L483 HydrophobicContact CG-CB 4.11Å; P401-L483 PolarHBondContact O-N 3.29Å; E403-L483 HydrophobicContact CB-CD2 4.18Å; L406-L483 HydrophobicContact CD1-CD1 3.6Å; L406-L483 HydrophobicContact CG-CD1 3.96Å; V459-L483 HydrophobicContact CG1-CD1 4.14Å; Q476-L483 WeakPolarHBondContact O-CA 3.22Å; V477-L483 HydrophobicContact CB-CD2 4.43Å; V477-L483 HydrophobicContact CG1-CD2 4.24Å; V477-L483 HydrophobicContact CG2-CD2 3.8Å; L483-F485 HydrophobicContact CB-CE2 4.44Å |
| 484 | L | 93.4 | Very high | 87.3 | Confident | 56 Ų | 56 | 72.6 Ų | 72.6 | 29% | 0.293 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 115.3 | 174.7 | -178.2 | 62.4 | 0 | 0 | 0 | 110 | C475 Q476 L486 | C475-L484 WeakPolarHBondContact CA-O 3.46Å; Q476-L484 PolarHBondContact N-O 3.03Å; Q476-L484 PolarHBondContact O-N 2.87Å; L484-L486 HydrophobicContact CD2-CD2 4.11Å; L484-L486 HydrophobicContact CD2-CG 4.47Å; L484-L486 HydrophobicContact CG-CD2 4.05Å; L484-L486 HydrophobicContact CG-CG 4.22Å |
| 485 | F | 94.3 | Very high | 85.8 | Confident | 0 Ų | 0 | 76 Ų | 76 | 0% | 0 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 142.1 | 170.2 | -65.1 | -83.4 | 0 | 0 | 0 | 110.5 | V393 L396 N397 P401 V459 G462 K463 I473 R474 C475 L483 | V393-F485 HydrophobicContact CB-CB 4.4Å; V393-F485 HydrophobicContact CG1-CB 3.91Å; V393-F485 VanDerWaalsContact CG1-O 3.26Å; V393-F485 WeakPolarHBondContact CG1-O 3.33Å; V393-F485 HydrophobicContact CG2-CB 4.2Å; L396-F485 HydrophobicContact CB-CD2 3.63Å; L396-F485 HydrophobicContact CB-CE2 3.99Å; L396-F485 HydrophobicContact CB-CG 4.14Å; L396-F485 HydrophobicContact CD1-CD1 4.17Å; L396-F485 HydrophobicContact CD1-CD2 4.26Å; L396-F485 HydrophobicContact CD1-CE1 4.34Å; L396-F485 HydrophobicContact CD1-CE2 4.42Å; L396-F485 HydrophobicContact CD1-CG 4.13Å; L396-F485 HydrophobicContact CD1-CZ 4.45Å; N397-F485 PolarHBondContact ND2-O 3.23Å; N397-F485 WeakPolarHBondContact OD1-CB 3.41Å; N397-F485 PolarHBondContact OD1-N 3.09Å; P401-F485 HydrophobicContact CG-CD2 4.49Å; P401-F485 HydrophobicContact CG-CE2 4.05Å; V459-F485 HydrophobicContact CG1-CE2 4.36Å; V459-F485 HydrophobicContact CG1-CZ 4.39Å; G462-F485 VanDerWaalsContact C-CE1 3.48Å; K463-F485 HydrophobicContact CB-CE1 4.41Å; K463-F485 HydrophobicContact CB-CZ 4.38Å; I473-F485 HydrophobicContact CG2-CB 4.48Å; I473-F485 HydrophobicContact CG2-CD1 3.93Å; R474-F485 CarbonylContact O-C 3.59Å; R474-F485 WeakPolarHBondContact O-CA 3.28Å; C475-F485 HydrophobicContact CB-CD1 3.95Å; C475-F485 HydrophobicContact CB-CE1 3.9Å; L483-F485 HydrophobicContact CB-CE2 4.44Å |
| 486 | L | 94.1 | Very high | 84.1 | Confident | 52 Ų | 52 | 79.4 Ų | 79.4 | 27% | 0.272 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 161.2 | -176.5 | -63.4 | 174 | 0 | 0 | 0 | 109.8 | I473 R474 Q476 L484 | I473-L486 CarbonylContact C-O 3.59Å; I473-L486 WeakPolarHBondContact CA-O 3.48Å; R474-L486 HydrophobicContact CB-CB 4.47Å; R474-L486 PolarHBondContact N-O 3.38Å; R474-L486 PolarHBondContact O-N 2.95Å; Q476-L486 HydrophobicContact CG-CD1 4.18Å; L484-L486 HydrophobicContact CD2-CD2 4.11Å; L484-L486 HydrophobicContact CD2-CG 4.47Å; L484-L486 HydrophobicContact CG-CD2 4.05Å; L484-L486 HydrophobicContact CG-CG 4.22Å |
| 487 | T | 94.8 | Very high | 82.6 | Confident | 33 Ų | 33 | 78.4 Ų | 78.4 | 20% | 0.202 | 43% | 0.427 | C | S | . | . | trans | -150.6 | 153.5 | 167.3 | -177.3 | 0 | 0 | 0 | 0 | 110.1 | P390 V393 L472 I489 | P390-T487 HydrophobicContact CB-CG2 4.1Å; P390-T487 HydrophobicContact CG-CG2 3.86Å; V393-T487 HydrophobicContact CG2-CG2 4.34Å; L472-T487 VanDerWaalsContact O-CB 3.28Å; L472-T487 WeakPolarHBondContact O-CB 3.22Å; L472-T487 PolarHBondContact O-OG1 3.31Å; T487-I489 HydrophobicContact CG2-CB 4.47Å; T487-I489 PolarHBondContact OG1-N 3.38Å | ||
| 488 | D | 91.6 | Very high | 80.5 | Confident | 110 Ų | 110 | 82.9 Ų | 82.9 | 59% | 0.588 | 44% | 0.443 | S | S | * | . | S | Bend | trans | -95.1 | -1.9 | 174 | -57.8 | -77.7 | 0 | 0 | 0 | 112 | R474 | R474-D488 IonicContact CZ-OD1 2.66Å; R474-D488 IonicContact CZ-OD2 2.75Å; R474-D488 IonicContact NE-OD2 2.84Å; R474-D488 PolarHBondContact NE-OD2 2.63Å; R474-D488 IonicContact NH2-OD1 2.71Å; R474-D488 PolarHBondContact NH2-OD1 3.37Å; R474-D488 IonicContact NH2-OD2 2.64Å; R474-D488 PolarHBondContact NH2-OD2 2.94Å |
| 489 | I | 91.3 | Very high | 78.7 | Confident | 22 Ų | 22 | 86.8 Ų | 86.8 | 11% | 0.113 | 46% | 0.459 | C | S | . | . | S | Bend | trans | -75.7 | 129.6 | 170.7 | -59.7 | 163.5 | 0 | 0 | 0 | 107.7 | K386 W389 P390 L472 T487 E491 | K386-I489 HydrophobicContact CB-CD1 4.08Å; K386-I489 HydrophobicContact CG-CD1 4.48Å; K386-I489 HydrophobicContact CG-CG2 4.23Å; W389-I489 HydrophobicContact CB-CD1 4.1Å; W389-I489 HydrophobicContact CG-CD1 4.37Å; P390-I489 HydrophobicContact CG-CB 3.91Å; P390-I489 HydrophobicContact CG-CG2 3.69Å; L472-I489 HydrophobicContact CD2-CD1 4.05Å; T487-I489 HydrophobicContact CG2-CB 4.47Å; T487-I489 PolarHBondContact OG1-N 3.38Å; I489-E491 PolarHBondContact O-N 3.35Å |
| 490 | P | 86.8 | Confident | 76.8 | Confident | 110 Ų | 110 | 85.5 Ų | 85.5 | 71% | 0.714 | 45% | 0.45 | S | S | * | . | P | Polyproline II helix | trans | -63.6 | 135.4 | 176.2 | 26.8 | -34.2 | 0 | 0 | 0 | 110.6 | E492 | P490-E492 PolarHBondContact O-N 3.45Š|
| 491 | E | 83.8 | Confident | 75 | Confident | 106 Ų | 106 | 84.9 Ų | 84.9 | 50% | 0.495 | 44% | 0.443 | S | S | . | . | P | Polyproline II helix | trans | -69.2 | 116.7 | 173.3 | -170.3 | 165.9 | -138.1 | 0 | 0 | 109.4 | P390 S394 I489 | P390-E491 HydrophobicContact CB-CB 3.82Å; P390-E491 HydrophobicContact CB-CG 3.91Å; S394-E491 PolarHBondContact OG-OE1 3.16Å; I489-E491 PolarHBondContact O-N 3.35Å |
| 492 | E | 81.4 | Confident | 72.8 | Confident | 113 Ų | 113 | 87.6 Ų | 87.6 | 53% | 0.528 | 46% | 0.463 | S | S | . | . | P | Polyproline II helix | trans | -76.6 | 128.4 | 177.4 | -161.1 | 159.7 | -132.6 | 0 | 0 | 108.9 | Y387 W391 P490 I494 | Y387-E492 WeakPolarHBondContact CB-OE2 3.34Å; Y387-E492 WeakPolarHBondContact CD1-OE2 3.27Å; W391-E492 HydrophobicContact CZ2-CB 4.33Å; W391-E492 PolarHBondContact NE1-O 3.12Å; P490-E492 PolarHBondContact O-N 3.45Å; E492-I494 PolarHBondContact O-N 2.81Å |
| 493 | A | 72.4 | Confident | 70.5 | Confident | 90 Ų | 90 | 90.4 Ų | 90.4 | 74% | 0.744 | 49% | 0.485 | S | S | * | . | P | Polyproline II helix | trans | -68 | 117.7 | -172.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | E495 | A493-E495 PolarHBondContact O-N 2.91Å; A493-E495 VanDerWaalsContact O-N 3.09Å |
| 494 | I | 71.7 | Confident | 68.2 | Low | 46 Ų | 46 | 94.7 Ų | 94.7 | 24% | 0.236 | 51% | 0.511 | C | S | . | . | trans | -69.9 | 108.2 | 177.5 | -52.6 | 163.7 | 0 | 0 | 0 | 108 | L345 L346 W391 E492 E496 | L345-I494 HydrophobicContact CB-CD1 3.96Å; L345-I494 HydrophobicContact CD1-CD1 4.08Å; L346-I494 HydrophobicContact CD1-CG2 3.64Å; L346-I494 HydrophobicContact CD2-CG2 4.25Å; L346-I494 HydrophobicContact CG-CG2 3.96Å; W391-I494 HydrophobicContact CD2-CD1 4.44Å; W391-I494 HydrophobicContact CD2-CG1 4.37Å; W391-I494 HydrophobicContact CG-CD1 4.48Å; W391-I494 HydrophobicContact CZ2-CG1 3.78Å; E492-I494 PolarHBondContact O-N 2.81Å; I494-E496 PolarHBondContact O-N 3.35Å; I494-E496 VanDerWaalsContact O-N 3.12Å | ||
| 495 | E | 62.8 | Low | 65.6 | Low | 165 Ų | 165 | 99.2 Ų | 99.2 | 77% | 0.771 | 54% | 0.535 | S | S | * | . | trans | -60.4 | 115.3 | 174.7 | -67.8 | -163.1 | 147.7 | 0 | 0 | 110.3 | A493 P497 | A493-E495 PolarHBondContact O-N 2.91Å; A493-E495 VanDerWaalsContact O-N 3.09Å; E495-P497 VanDerWaalsContact O-CD 3.3Å; E495-P497 WeakPolarHBondContact O-CD 3.33Å | ||
| 496 | E | 57.4 | Low | 62.9 | Low | 105 Ų | 105 | 107.8 Ų | 107.8 | 49% | 0.491 | 58% | 0.575 | S | S | . | * | trans | -67.4 | 121.1 | 165.8 | -84.9 | -153.1 | 112.2 | 0 | 0 | 109.6 | L346 R350 I494 Q498 | L346-E496 HydrophobicContact CD2-CG 3.71Å; R350-E496 IonicContact CZ-OE1 3.64Å; R350-E496 IonicContact NE-OE1 2.74Å; R350-E496 PolarHBondContact NE-OE1 2.92Å; R350-E496 IonicContact NH2-OE1 2.75Å; R350-E496 PolarHBondContact NH2-OE1 2.66Å; I494-E496 PolarHBondContact O-N 3.35Å; I494-E496 VanDerWaalsContact O-N 3.12Å; E496-Q498 PolarHBondContact O-N 3.24Å | ||
| 497 | P | 58.8 | Low | 59.9 | Low | 72 Ų | 72 | 114.3 Ų | 114.3 | 47% | 0.468 | 60% | 0.604 | S | S | . | * | trans | -64 | 121.4 | 170.9 | -16.8 | 31 | 0 | 0 | 0 | 108.9 | L284 E495 E499 | L284-P497 HydrophobicContact CD1-CG 3.69Å; E495-P497 VanDerWaalsContact O-CD 3.3Å; E495-P497 WeakPolarHBondContact O-CD 3.33Å; P497-E499 PolarHBondContact O-N 2.92Å | ||
| 498 | Q | 45.6 | Very low | 56.8 | Low | 163 Ų | 163 | 117.6 Ų | 117.6 | 76% | 0.762 | 63% | 0.628 | S | S | * | * | trans | -59.2 | 108.4 | 178.3 | -73.3 | -168.3 | 0.7 | 0 | 0 | 110.9 | E496 K500 | E496-Q498 PolarHBondContact O-N 3.24Å; Q498-K500 PolarHBondContact O-N 2.68Å | ||
| 499 | E | 47.5 | Very low | 54 | Low | 145 Ų | 145 | 118 Ų | 118 | 68% | 0.678 | 64% | 0.639 | S | S | * | * | trans | -66.7 | 102.6 | -177.1 | -69.9 | -175.6 | -175.4 | 0 | 0 | 111.6 | R350 P497 | R350-E499 IonicContact CZ-OE1 3.87Å; R350-E499 IonicContact NH1-OE1 3.4Å; R350-E499 PolarHBondContact NH1-OE1 3.23Å; R350-E499 IonicContact NH2-OE1 2.66Å; R350-E499 PolarHBondContact NH2-OE1 2.92Å; P497-E499 PolarHBondContact O-N 2.92Å | ||
| 500 | K | 40.1 | Very low | 51.2 | Low | 179 Ų | 179 | 124.4 Ų | 124.4 | 78% | 0.778 | 67% | 0.674 | S | S | * | * | trans | -125.4 | 5.9 | 172.5 | -82.9 | 177.3 | 176.8 | 154.8 | 0 | 113.7 | Q498 | Q498-K500 PolarHBondContact O-N 2.68Š| ||
| 501 | E | 42.3 | Very low | 48.4 | Very low | 133 Ų | 133 | 122.9 Ų | 122.9 | 62% | 0.621 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -127.1 | 143.2 | 173.6 | -71.2 | -172.9 | 109.3 | 0 | 0 | 110.3 | K242 | K242-E501 IonicContact NZ-OE1 2.65Å; K242-E501 PolarHBondContact NZ-OE1 3.19Å; K242-E501 IonicContact NZ-OE2 3.89Å; K242-E501 PolarHBondContact NZ-OE2 2.86Å |
| 502 | A | 38.3 | Very low | 45.9 | Very low | 80 Ų | 80 | 127.4 Ų | 127.4 | 66% | 0.661 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -64 | 156.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | V504 | A502-V504 PolarHBondContact O-N 2.85Š|
| 503 | P | 41.3 | Very low | 43.4 | Very low | 116 Ų | 116 | 131.1 Ų | 131.1 | 75% | 0.753 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 136.4 | 173.2 | 23.6 | -34.6 | 0 | 0 | 0 | 110.9 | L505 | P503-L505 PolarHBondContact O-N 3.2Š|
| 504 | V | 43.1 | Very low | 41.3 | Very low | 92 Ų | 92 | 133.5 Ų | 133.5 | 56% | 0.558 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 119.9 | 171.9 | 178.9 | 0 | 0 | 0 | 0 | 107.3 | A502 Q506 | A502-V504 PolarHBondContact O-N 2.85Å; V504-Q506 PolarHBondContact O-N 3.23Å |
| 505 | L | 38.4 | Very low | 39.1 | Very low | 152 Ų | 152 | 140.6 Ų | 140.6 | 80% | 0.796 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 134.1 | 176.1 | -71.6 | 172.9 | 0 | 0 | 0 | 109.7 | P503 E507 | P503-L505 PolarHBondContact O-N 3.2Å; L505-E507 VanDerWaalsContact C-N 3.27Å; L505-E507 PolarHBondContact O-N 3.46Å |
| 506 | Q | 38 | Very low | 37.4 | Very low | 179 Ų | 179 | 140.6 Ų | 140.6 | 84% | 0.836 | 76% | 0.76 | S | S | * | * | trans | -71.8 | 83.7 | 177.3 | -173.5 | 179.3 | 3.2 | 0 | 0 | 109.3 | V504 S508 | V504-Q506 PolarHBondContact O-N 3.23Å; Q506-S508 PolarHBondContact O-N 3.05Å; Q506-S508 PolarHBondContact O-OG 2.83Å | ||
| 507 | E | 31 | Very low | 36 | Very low | 190 Ų | 190 | 143.3 Ų | 143.3 | 89% | 0.888 | 78% | 0.778 | S | S | * | * | trans | -59.4 | 98.7 | 174.6 | -73.1 | -170.5 | 153.6 | 0 | 0 | 109.6 | L505 S509 | L505-E507 VanDerWaalsContact C-N 3.27Å; L505-E507 PolarHBondContact O-N 3.46Å; E507-S509 PolarHBondContact O-N 3.5Å; E507-S509 VanDerWaalsContact O-N 3.13Å | ||
| 508 | S | 29.6 | Very low | 34.5 | Very low | 102 Ų | 102 | 143.1 Ų | 143.1 | 71% | 0.713 | 79% | 0.788 | S | S | * | * | trans | -70.3 | 108.2 | 178.4 | -66.4 | 0 | 0 | 0 | 0 | 108.4 | Q506 N510 | Q506-S508 PolarHBondContact O-N 3.05Å; Q506-S508 PolarHBondContact O-OG 2.83Å; S508-N510 VanDerWaalsContact C-N 3.29Å; S508-N510 PolarHBondContact O-N 2.86Å | ||
| 509 | S | 32.4 | Very low | 33.6 | Very low | 117 Ų | 117 | 138.9 Ų | 138.9 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -69.3 | 79.1 | -175.5 | 178.1 | 0 | 0 | 0 | 0 | 112.4 | E507 | E507-S509 PolarHBondContact O-N 3.5Å; E507-S509 VanDerWaalsContact O-N 3.13Å |
| 510 | N | 32.3 | Very low | 32.7 | Very low | 157 Ų | 157 | 139.8 Ų | 139.8 | 84% | 0.84 | 80% | 0.798 | S | S | * | * | trans | -168.7 | 108.1 | 156.1 | -97.1 | -30.3 | 0 | 0 | 0 | 110.4 | S508 | S508-N510 VanDerWaalsContact C-N 3.29Å; S508-N510 PolarHBondContact O-N 2.86Å | ||
| 511 | G | 29.1 | Very low | 32.2 | Very low | 78 Ų | 78 | 136.8 Ų | 136.8 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | trans | 147.2 | 84.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q513 | G511-Q513 PolarHBondContact O-N 3.4Š| ||
| 512 | E | 29.6 | Very low | 31.6 | Very low | 201 Ų | 201 | 133.7 Ų | 133.7 | 94% | 0.939 | 80% | 0.803 | S | S | * | * | trans | -69.5 | 118.9 | 161.1 | -70.8 | -176.3 | 99.4 | 0 | 0 | 109.8 | ||||
| 513 | Q | 29.2 | Very low | 31.1 | Very low | 191 Ų | 191 | 137.1 Ų | 137.1 | 89% | 0.893 | 81% | 0.81 | S | S | * | * | trans | -128.3 | 126.8 | 156.8 | -77 | -163.1 | -9.8 | 0 | 0 | 110.3 | G511 | G511-Q513 PolarHBondContact O-N 3.4Š| ||
| 514 | T | 28.8 | Very low | 30.6 | Very low | 141 Ų | 141 | 140.4 Ų | 140.4 | 87% | 0.865 | 81% | 0.813 | S | S | * | * | trans | -71.7 | 124.4 | -176 | 50.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 515 | Q | 25.5 | Very low | 29.9 | Very low | 194 Ų | 194 | 141.3 Ų | 141.3 | 91% | 0.907 | 82% | 0.823 | S | S | * | * | trans | -65.5 | 145.8 | 156.2 | -81.3 | -173.2 | -27.4 | 0 | 0 | 110.5 | ||||
| 516 | N | 28.1 | Very low | 29.4 | Very low | 166 Ų | 166 | 138.8 Ų | 138.8 | 89% | 0.888 | 81% | 0.814 | S | S | * | * | trans | -143.3 | 156.4 | 150.8 | -152.7 | -5.8 | 0 | 0 | 0 | 109.2 | ||||
| 517 | D | 27 | Very low | 28.9 | Very low | 162 Ų | 162 | 135.8 Ų | 135.8 | 87% | 0.866 | 80% | 0.802 | S | S | * | * | trans | -107.3 | 164.2 | -147.8 | -169.4 | 18.3 | 0 | 0 | 0 | 115.2 | ||||
| 518 | G | 27.1 | Very low | 28.9 | Very low | 67 Ų | 67 | 130.9 Ų | 130.9 | 69% | 0.691 | 79% | 0.789 | S | S | * | * | trans | 133.2 | 136 | 156.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 519 | G | 27 | Very low | 28.9 | Very low | 75 Ų | 75 | 131 Ų | 131 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | trans | 146.3 | 9.7 | 151 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 520 | N | 27.8 | Very low | 28.6 | Very low | 163 Ų | 163 | 129 Ų | 129 | 87% | 0.872 | 79% | 0.794 | S | S | * | * | trans | -4.8 | 117.7 | 163.8 | -179.5 | 31.7 | 0 | 0 | 0 | 119.3 | ||||
| 521 | S | 30.7 | Very low | 28.4 | Very low | 116 Ų | 116 | 131 Ų | 131 | 81% | 0.811 | 80% | 0.795 | S | S | * | * | trans | -171.2 | 119.4 | 145.3 | 42 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 522 | G | 28.7 | Very low | 28.3 | Very low | 68 Ų | 68 | 132.6 Ų | 132.6 | 70% | 0.701 | 79% | 0.79 | S | S | * | * | 87.3 | 114.6 | 126.1 | 0 | 0 | 0 | 0 | 0 | 124 | |||||
| 523 | L | 29.6 | Very low | 28.1 | Very low | 153 Ų | 153 | 131.3 Ų | 131.3 | 80% | 0.801 | 78% | 0.784 | S | S | * | * | trans | 90.1 | 97.8 | 133.5 | -53.9 | 178.8 | 0 | 0 | 0 | 123.9 | ||||
| 524 | K | 30.8 | Very low | 27.9 | Very low | 185 Ų | 185 | 127.2 Ų | 127.2 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | 66.7 | 137.6 | 123.9 | -65 | -176.2 | 178.4 | -178.6 | 0 | 124.1 | |||||
| 525 | S | 27.5 | Very low | 27.6 | Very low | 110 Ų | 110 | 126.1 Ų | 126.1 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | trans | 77.7 | 159.5 | 145.8 | -69 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 526 | V | 27.7 | Very low | 27.6 | Very low | 100 Ų | 100 | 128.4 Ų | 128.4 | 61% | 0.606 | 78% | 0.775 | S | S | * | * | -170.1 | 123.8 | -51.7 | 129.8 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 527 | L | 27.7 | Very low | 27.4 | Very low | 115 Ų | 115 | 126.1 Ų | 126.1 | 60% | 0.602 | 77% | 0.772 | S | S | * | * | trans | 61.9 | 166.6 | 166.9 | -64.5 | 168.9 | 0 | 0 | 0 | 115.7 | K567 | L527-K567 HydrophobicContact CD2-CD 3.82Å; L527-K567 HydrophobicContact CD2-CG 4.45Å; L527-K567 HydrophobicContact CG-CD 4.06Å | ||
| 528 | S | 30.2 | Very low | 27.3 | Very low | 87 Ų | 87 | 126.6 Ų | 126.6 | 61% | 0.608 | 78% | 0.775 | S | S | * | * | cis | -150.3 | -173.1 | 4.2 | -144.9 | 0 | 0 | 0 | 0 | 112.4 | P565 | S528-P565 WeakPolarHBondContact O-CG 3.34Š| ||
| 529 | A | 30.1 | Very low | 27.2 | Very low | 104 Ų | 104 | 126.9 Ų | 126.9 | 86% | 0.86 | 78% | 0.778 | S | S | * | * | trans | -92.2 | 171.2 | -170.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 530 | G | 26.3 | Very low | 27.1 | Very low | 76 Ų | 76 | 130.4 Ų | 130.4 | 78% | 0.784 | 78% | 0.779 | S | S | * | * | trans | -162.2 | 168.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 531 | K | 28.3 | Very low | 27 | Very low | 198 Ų | 198 | 131.7 Ų | 131.7 | 86% | 0.861 | 78% | 0.779 | S | S | * | * | trans | -139.9 | 146.6 | -165.9 | -106.9 | -171.9 | 177.7 | -177.2 | 0 | 115.4 | ||||
| 532 | T | 27.4 | Very low | 27 | Very low | 113 Ų | 113 | 137 Ų | 137 | 69% | 0.693 | 78% | 0.782 | S | S | * | * | trans | 64.7 | 136.7 | 143.4 | 53.5 | 0 | 0 | 0 | 0 | 125 | ||||
| 533 | Q | 25.2 | Very low | 27.2 | Very low | 173 Ų | 173 | 139.3 Ų | 139.3 | 81% | 0.808 | 79% | 0.785 | S | S | * | * | trans | 94.4 | 114.7 | 133.9 | -96.2 | 177.4 | -22.6 | 0 | 0 | 124.1 | ||||
| 534 | S | 23.8 | Very low | 26.9 | Very low | 106 Ų | 106 | 138.4 Ų | 138.4 | 74% | 0.741 | 79% | 0.785 | S | S | * | * | trans | 43.7 | 129 | 131.7 | 61.3 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 535 | S | 23.9 | Very low | 26.5 | Very low | 118 Ų | 118 | 135.5 Ų | 135.5 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | -177.6 | 172.1 | 102.9 | -159.6 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 536 | W | 24 | Very low | 26.4 | Very low | 242 Ų | 242 | 135.6 Ų | 135.6 | 92% | 0.917 | 78% | 0.779 | S | S | * | * | trans | -116.8 | 146.9 | 173.5 | -80.6 | 41.4 | 0 | 0 | 0 | 111.8 | ||||
| 537 | S | 25.2 | Very low | 26.3 | Very low | 118 Ų | 118 | 140.4 Ų | 140.4 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | trans | 177.1 | 117.8 | 153.7 | -72.8 | 0 | 0 | 0 | 0 | 106 | ||||
| 538 | D | 24.2 | Very low | 26.3 | Very low | 172 Ų | 172 | 145 Ų | 145 | 92% | 0.92 | 81% | 0.807 | S | S | * | * | 77.3 | 138.6 | 65.5 | -163.3 | 21.2 | 0 | 0 | 0 | 113.9 | |||||
| 539 | G | 24.9 | Very low | 26.3 | Very low | 73 Ų | 73 | 148.2 Ų | 148.2 | 75% | 0.753 | 81% | 0.812 | S | S | * | * | trans | 136 | 120.4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 540 | N | 25.1 | Very low | 26 | Very low | 148 Ų | 148 | 150.3 Ų | 150.3 | 79% | 0.791 | 81% | 0.809 | S | S | * | * | trans | -132.8 | 130.6 | -172 | 163.2 | 46 | 0 | 0 | 0 | 111.9 | ||||
| 541 | E | 25.3 | Very low | 26.3 | Very low | 190 Ų | 190 | 152.4 Ų | 152.4 | 89% | 0.888 | 80% | 0.801 | S | S | * | * | trans | -162.1 | 157.9 | 160.4 | -125.2 | 172.3 | -155.9 | 0 | 0 | 114.4 | ||||
| 542 | R | 30.6 | Very low | 26.2 | Very low | 227 Ų | 227 | 152.2 Ų | 152.2 | 86% | 0.857 | 80% | 0.8 | S | S | * | * | trans | -136.9 | 140 | 174.4 | -61.2 | 177.6 | 177.8 | 178.4 | -1.2 | 108.9 | ||||
| 543 | P | 33.5 | Very low | 26.5 | Very low | 118 Ų | 118 | 152.1 Ų | 152.1 | 77% | 0.766 | 80% | 0.801 | S | S | * | * | -146.9 | 146.4 | 100.8 | 28.6 | -8.2 | 0 | 0 | 0 | 114.5 | |||||
| 544 | V | 22.7 | Very low | 26.4 | Very low | 133 Ų | 133 | 154.2 Ų | 154.2 | 81% | 0.806 | 80% | 0.802 | S | S | * | * | 72.6 | 142.9 | 73.5 | -169.3 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 545 | V | 23.3 | Very low | 26.3 | Very low | 124 Ų | 124 | 156.4 Ų | 156.4 | 75% | 0.752 | 80% | 0.801 | S | S | * | * | trans | 108.3 | 90.7 | 164.6 | -167.9 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 546 | T | 25.9 | Very low | 26.3 | Very low | 112 Ų | 112 | 159.8 Ų | 159.8 | 69% | 0.687 | 80% | 0.803 | S | S | * | * | trans | 19.2 | 133 | 142.6 | 61.2 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 547 | F | 25 | Very low | 26.2 | Very low | 202 Ų | 202 | 153.6 Ų | 153.6 | 89% | 0.886 | 80% | 0.797 | S | S | * | * | trans | 31.1 | 123.3 | 134.1 | -66 | -87.5 | 0 | 0 | 0 | 121.5 | ||||
| 548 | K | 27.9 | Very low | 26.1 | Very low | 211 Ų | 211 | 159.8 Ų | 159.8 | 92% | 0.917 | 80% | 0.802 | S | S | * | * | -154.5 | 156.9 | 101.5 | -158.7 | 157.8 | -176.9 | 174.3 | 0 | 112.8 | |||||
| 549 | E | 29.3 | Very low | 26.2 | Very low | 155 Ų | 155 | 159.9 Ų | 159.9 | 72% | 0.724 | 80% | 0.797 | S | S | * | * | trans | -90.4 | 140.4 | -172.7 | 172.3 | -176.9 | -155.2 | 0 | 0 | 113.7 | ||||
| 550 | N | 24.7 | Very low | 26.6 | Very low | 148 Ų | 148 | 162 Ų | 162 | 79% | 0.791 | 80% | 0.798 | S | S | * | * | trans | -169.5 | 97 | 139.1 | -108.3 | -29.4 | 0 | 0 | 0 | 115.2 | ||||
| 551 | I | 32.2 | Very low | 26.8 | Very low | 119 Ų | 119 | 158.1 Ų | 158.1 | 61% | 0.61 | 79% | 0.792 | S | S | * | * | trans | 48.5 | 106.7 | 130.1 | -59.5 | 178 | 0 | 0 | 0 | 120.2 | ||||
| 552 | K | 25.3 | Very low | 26.7 | Very low | 195 Ų | 195 | 159.8 Ų | 159.8 | 85% | 0.848 | 79% | 0.791 | S | S | * | * | trans | 70.2 | 164.3 | 140.8 | -77.7 | 179.5 | -175.9 | 173.2 | 0 | 120.6 | ||||
| 553 | P | 33.8 | Very low | 26.5 | Very low | 110 Ų | 110 | 155.7 Ų | 155.7 | 71% | 0.714 | 79% | 0.786 | S | S | * | * | cis | -139.9 | 172.1 | -27.7 | 36.5 | -19.1 | 0 | 0 | 0 | 116.3 | ||||
| 554 | R | 23.7 | Very low | 26.2 | Very low | 217 Ų | 217 | 157.3 Ų | 157.3 | 82% | 0.819 | 78% | 0.783 | S | S | * | * | trans | 84 | 155.1 | 146.4 | -145.6 | -169.5 | 175.5 | 111.4 | 1.4 | 118.2 | ||||
| 555 | E | 23 | Very low | 26.5 | Very low | 153 Ų | 153 | 155.3 Ų | 155.3 | 72% | 0.715 | 77% | 0.773 | S | S | * | * | trans | 70.7 | 119.2 | 170.7 | -47.6 | -162.6 | 161.9 | 0 | 0 | 114.5 | ||||
| 556 | Q | 22.1 | Very low | 26.7 | Very low | 188 Ų | 188 | 155.3 Ų | 155.3 | 88% | 0.879 | 77% | 0.768 | S | S | * | * | 78.6 | 95.6 | 55.6 | -75.5 | -161.2 | -20 | 0 | 0 | 115 | |||||
| 557 | S | 23.1 | Very low | 26.7 | Very low | 113 Ų | 113 | 153.9 Ų | 153.9 | 79% | 0.79 | 75% | 0.752 | S | S | * | * | trans | 52.7 | 108.1 | 142.7 | -162.6 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 558 | R | 23.2 | Very low | 26.6 | Very low | 247 Ų | 247 | 150.9 Ų | 150.9 | 93% | 0.932 | 74% | 0.741 | S | S | * | * | -156.2 | 149.6 | 128.9 | -113.7 | 160.3 | -176.8 | 159.4 | 1.7 | 113.6 | |||||
| 559 | E | 24.9 | Very low | 26.4 | Very low | 175 Ų | 175 | 148.2 Ų | 148.2 | 82% | 0.818 | 74% | 0.736 | S | S | * | * | trans | -77.1 | -162.8 | 170.2 | -36.6 | 174.4 | 110 | 0 | 0 | 109.7 | ||||
| 560 | P | 34.9 | Very low | 26.1 | Very low | 117 Ų | 117 | 145.3 Ų | 145.3 | 76% | 0.76 | 73% | 0.733 | S | S | * | * | cis | -130.9 | -178.8 | -4.9 | 28.9 | -4.6 | 0 | 0 | 0 | 114 | ||||
| 561 | G | 27.8 | Very low | 26.2 | Very low | 66 Ų | 66 | 147.5 Ų | 147.5 | 68% | 0.68 | 74% | 0.735 | S | S | * | * | cis | 139.5 | -175.5 | -4.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 562 | R | 24.8 | Very low | 25.8 | Very low | 226 Ų | 226 | 149.9 Ų | 149.9 | 85% | 0.853 | 74% | 0.744 | S | S | * | * | trans | 65.5 | 152.7 | 162.5 | -74.4 | -175.3 | 137.5 | 146 | 1.8 | 118.5 | ||||
| 563 | N | 25.3 | Very low | 25.7 | Very low | 140 Ų | 140 | 149.1 Ų | 149.1 | 75% | 0.749 | 74% | 0.736 | S | S | * | * | cis | -145.2 | 168.7 | 9.8 | -126.7 | -8.9 | 0 | 0 | 0 | 113.9 | ||||
| 564 | Q | 26.7 | Very low | 25.3 | Very low | 152 Ų | 152 | 153.6 Ų | 153.6 | 71% | 0.71 | 74% | 0.738 | S | S | * | * | trans | -85.9 | 171.9 | -177.5 | -139 | 173.1 | 49.7 | 0 | 0 | 112.3 | L566 | Q564-L566 HydrophobicContact CG-CD1 4.02Š| ||
| 565 | P | 30.5 | Very low | 25.2 | Very low | 91 Ų | 91 | 148.7 Ų | 148.7 | 59% | 0.591 | 73% | 0.728 | S | S | * | * | -146.7 | 159 | 86.9 | 38.6 | -22.1 | 0 | 0 | 0 | 117.1 | S528 | S528-P565 WeakPolarHBondContact O-CG 3.34Š| |||
| 566 | L | 26.5 | Very low | 25.3 | Very low | 124 Ų | 124 | 149.3 Ų | 149.3 | 65% | 0.649 | 73% | 0.729 | S | S | * | * | trans | -95.4 | 156.2 | 161.2 | -88.3 | 74.9 | 0 | 0 | 0 | 111 | Q564 | Q564-L566 HydrophobicContact CG-CD1 4.02Š| ||
| 567 | K | 26.1 | Very low | 26.1 | Very low | 83 Ų | 83 | 144.9 Ų | 144.9 | 36% | 0.361 | 72% | 0.716 | S | S | . | * | trans | -172.9 | 136.1 | 135.8 | -94.4 | -120 | 128.9 | -148.3 | 0 | 110.5 | L527 | L527-K567 HydrophobicContact CD2-CD 3.82Å; L527-K567 HydrophobicContact CD2-CG 4.45Å; L527-K567 HydrophobicContact CG-CD 4.06Å | ||
| 568 | E | 23.5 | Very low | 26.3 | Very low | 138 Ų | 138 | 149.1 Ų | 149.1 | 65% | 0.645 | 72% | 0.721 | S | S | * | * | cis | 84.1 | 97.4 | 21.4 | -160 | -148.1 | -116.5 | 0 | 0 | 116.5 | ||||
| 569 | L | 24.2 | Very low | 26.3 | Very low | 156 Ų | 156 | 140.4 Ų | 140.4 | 82% | 0.817 | 71% | 0.708 | S | S | * | * | trans | -140.5 | -154.9 | 142.2 | -147.5 | 65.3 | 0 | 0 | 0 | 109.3 | ||||
| 570 | S | 23 | Very low | 26.3 | Very low | 94 Ų | 94 | 140.1 Ų | 140.1 | 66% | 0.657 | 71% | 0.712 | S | S | * | * | trans | -166.2 | 154.5 | -163.8 | -87.6 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 571 | K | 25.5 | Very low | 25.9 | Very low | 193 Ų | 193 | 137.5 Ų | 137.5 | 84% | 0.839 | 71% | 0.706 | S | S | * | * | trans | 63.2 | 119.3 | 151.8 | -65.1 | 159.1 | -176.3 | 174.8 | 0 | 119.6 | ||||
| 572 | E | 24 | Very low | 25.7 | Very low | 169 Ų | 169 | 140.9 Ų | 140.9 | 79% | 0.79 | 71% | 0.713 | S | S | * | * | -168.4 | 164.4 | 107.1 | -91.4 | -139.5 | 145.4 | 0 | 0 | 107.3 | |||||
| 573 | R | 23.9 | Very low | 25.7 | Very low | 180 Ų | 180 | 134.8 Ų | 134.8 | 68% | 0.679 | 71% | 0.711 | S | S | * | * | cis | -141.2 | 157.7 | 13.7 | 164 | 168.9 | -83.5 | -102.9 | -3.7 | 110.5 | D575 | R573-D575 VanDerWaalsContact CD-OD2 3.31Å; R573-D575 WeakPolarHBondContact CD-OD2 3.25Å; R573-D575 IonicContact CZ-OD2 3.45Å; R573-D575 IonicContact NE-OD2 2.68Å; R573-D575 IonicContact NH1-OD2 3.59Å; R573-D575 PolarHBondContact NH1-OD2 3.17Å | ||
| 574 | R | 24.3 | Very low | 25.7 | Very low | 203 Ų | 203 | 133.1 Ų | 133.1 | 77% | 0.766 | 72% | 0.717 | S | S | * | * | trans | -119.2 | 130.6 | 169.5 | 176.6 | -148.9 | -57.6 | 167.9 | 1.1 | 108.7 | ||||
| 575 | D | 21.9 | Very low | 25.6 | Very low | 115 Ų | 115 | 130.8 Ų | 130.8 | 62% | 0.615 | 72% | 0.724 | S | S | * | * | trans | -141.1 | 111.6 | 165.4 | -87.3 | -56.3 | 0 | 0 | 0 | 112 | R573 | R573-D575 VanDerWaalsContact CD-OD2 3.31Å; R573-D575 WeakPolarHBondContact CD-OD2 3.25Å; R573-D575 IonicContact CZ-OD2 3.45Å; R573-D575 IonicContact NE-OD2 2.68Å; R573-D575 IonicContact NH1-OD2 3.59Å; R573-D575 PolarHBondContact NH1-OD2 3.17Å | ||
| 576 | F | 25.8 | Very low | 25.3 | Very low | 165 Ų | 165 | 136 Ų | 136 | 72% | 0.724 | 74% | 0.737 | S | S | * | * | trans | -6.8 | 175.5 | 144.2 | -76.1 | -71.6 | 0 | 0 | 0 | 121.9 | ||||
| 577 | P | 38.6 | Very low | 25.2 | Very low | 95 Ų | 95 | 139.3 Ų | 139.3 | 62% | 0.617 | 75% | 0.752 | S | S | * | * | cis | -140 | -178.3 | -12.8 | 29.4 | -6.7 | 0 | 0 | 0 | 116.1 | ||||
| 578 | K | 26.4 | Very low | 25.1 | Very low | 203 Ų | 203 | 141.8 Ų | 141.8 | 88% | 0.883 | 76% | 0.764 | S | S | * | * | trans | 48.1 | 147.9 | 142.8 | -70.6 | 166.1 | -179.3 | -178.9 | 0 | 121 | ||||
| 579 | G | 24.2 | Very low | 25.9 | Very low | 64 Ų | 64 | 139.7 Ų | 139.7 | 66% | 0.66 | 76% | 0.763 | S | S | * | * | cis | 114.4 | 96.8 | 0.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 580 | N | 24.8 | Very low | 26.1 | Very low | 169 Ų | 169 | 139.1 Ų | 139.1 | 90% | 0.904 | 75% | 0.753 | S | S | * | * | trans | -172.2 | 160.2 | 160.6 | -93.1 | -10.3 | 0 | 0 | 0 | 105.9 | ||||
| 581 | G | 25.4 | Very low | 26.4 | Very low | 61 Ų | 61 | 144.7 Ų | 144.7 | 63% | 0.629 | 76% | 0.76 | S | S | * | * | cis | 99.5 | 127.2 | 17 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 582 | T | 25 | Very low | 26.5 | Very low | 137 Ų | 137 | 140.8 Ų | 140.8 | 84% | 0.84 | 75% | 0.748 | S | S | * | * | cis | -166.3 | 144.7 | -0.3 | 38.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 583 | A | 25.1 | Very low | 26.7 | Very low | 98 Ų | 98 | 135.9 Ų | 135.9 | 81% | 0.81 | 74% | 0.743 | S | S | * | * | trans | 62.6 | 161.4 | 143.3 | 0 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 584 | A | 24.7 | Very low | 27 | Very low | 106 Ų | 106 | 136 Ų | 136 | 88% | 0.876 | 75% | 0.749 | S | S | * | * | trans | 70.6 | 150.2 | 169.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 585 | A | 25 | Very low | 27.4 | Very low | 102 Ų | 102 | 137.6 Ų | 137.6 | 84% | 0.843 | 76% | 0.755 | S | S | * | * | cis | -139.5 | 174.6 | 3.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 586 | K | 24.6 | Very low | 28 | Very low | 202 Ų | 202 | 140.5 Ų | 140.5 | 88% | 0.878 | 76% | 0.762 | S | S | * | * | trans | -94.3 | 147.8 | 171.9 | -55.8 | 171.8 | -179.5 | 175.7 | 0 | 110.5 | ||||
| 587 | M | 23.5 | Very low | 28.3 | Very low | 193 Ų | 193 | 137.1 Ų | 137.1 | 95% | 0.951 | 76% | 0.759 | S | S | * | * | -158.8 | 135.3 | 128 | -119.9 | 171.1 | 179 | 0 | 0 | 115.6 | |||||
| 588 | E | 23.3 | Very low | 27.8 | Very low | 135 Ų | 135 | 139.6 Ų | 139.6 | 63% | 0.631 | 76% | 0.762 | S | S | * | * | trans | -67.5 | 176.9 | 160.1 | -127.8 | -120.2 | 126.8 | 0 | 0 | 109.5 | K590 | E588-K590 PolarHBondContact OE1-N 2.98Å; E588-K590 IonicContact OE2-NZ 3.86Å; E588-K590 PolarHBondContact OE2-NZ 2.98Å | ||
| 589 | P | 40.8 | Very low | 28 | Very low | 94 Ų | 94 | 135.5 Ų | 135.5 | 61% | 0.61 | 75% | 0.754 | S | S | * | * | cis | -153.2 | 169.8 | 27.6 | 44.7 | -24.2 | 0 | 0 | 0 | 121.6 | ||||
| 590 | K | 27.6 | Very low | 28.1 | Very low | 143 Ų | 143 | 139.9 Ų | 139.9 | 62% | 0.622 | 76% | 0.755 | S | S | * | * | trans | 67.5 | 166.9 | 137.8 | -84 | 164.4 | -161.5 | 69.4 | 0 | 120.3 | E588 | E588-K590 PolarHBondContact OE1-N 2.98Å; E588-K590 IonicContact OE2-NZ 3.86Å; E588-K590 PolarHBondContact OE2-NZ 2.98Å | ||
| 591 | R | 29.5 | Very low | 28.3 | Very low | 211 Ų | 211 | 141.5 Ų | 141.5 | 80% | 0.796 | 75% | 0.754 | S | S | * | * | cis | -156.9 | 169.4 | 8.4 | -125.3 | -153.6 | 171.3 | 121.9 | 3.1 | 108.5 | ||||
| 592 | D | 28.2 | Very low | 28.3 | Very low | 111 Ų | 111 | 142.8 Ų | 142.8 | 59% | 0.594 | 76% | 0.759 | S | S | * | * | cis | -168.4 | 176.7 | -19.8 | -143 | -42.2 | 0 | 0 | 0 | 108.2 | ||||
| 593 | G | 28 | Very low | 28.4 | Very low | 66 Ų | 66 | 140.3 Ų | 140.3 | 68% | 0.68 | 75% | 0.752 | S | S | * | * | trans | 89.4 | 104.3 | 160.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 594 | K | 30.8 | Very low | 28.5 | Very low | 182 Ų | 182 | 144.1 Ų | 144.1 | 79% | 0.791 | 75% | 0.752 | S | S | * | * | cis | 85.3 | 105 | 5.2 | -165.1 | -176.5 | -169.9 | 168.7 | 0 | 117.2 | ||||
| 595 | R | 33.2 | Very low | 28.6 | Very low | 237 Ų | 237 | 145.5 Ų | 145.5 | 89% | 0.894 | 74% | 0.741 | S | S | * | * | trans | 160.6 | 152 | 148.3 | -91 | 158.6 | -167.2 | -141.7 | 5.7 | 112.4 | ||||
| 596 | K | 32.9 | Very low | 28.8 | Very low | 176 Ų | 176 | 149 Ų | 149 | 77% | 0.765 | 74% | 0.737 | S | S | * | * | cis | -176.1 | 146.4 | -22.4 | -145.9 | -168.5 | 179.7 | -166.8 | 0 | 113.5 | ||||
| 597 | S | 33.5 | Very low | 29 | Very low | 95 Ų | 95 | 144 Ų | 144 | 66% | 0.664 | 73% | 0.733 | S | S | * | * | trans | 61.9 | 168.2 | 143.7 | 53.7 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 598 | E | 28.3 | Very low | 29.2 | Very low | 147 Ų | 147 | 139.3 Ų | 139.3 | 69% | 0.687 | 73% | 0.726 | S | S | * | * | cis | -154.3 | -163.2 | 23.9 | -152.2 | -137.2 | 97.2 | 0 | 0 | 114.5 | ||||
| 599 | V | 29.3 | Very low | 29.3 | Very low | 116 Ų | 116 | 140.2 Ų | 140.2 | 70% | 0.703 | 74% | 0.735 | S | S | * | * | trans | 83.4 | 128.4 | -175.9 | -175.2 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 600 | K | 26.4 | Very low | 28.7 | Very low | 156 Ų | 156 | 142 Ų | 142 | 68% | 0.678 | 74% | 0.743 | S | S | * | * | cis | -168.5 | 136.5 | -29.4 | -113.8 | 160.1 | -149.4 | 162.5 | 0 | 111.1 | ||||
| 601 | K | 29.8 | Very low | 28.7 | Very low | 204 Ų | 204 | 138.7 Ų | 138.7 | 89% | 0.887 | 75% | 0.75 | S | S | * | * | trans | 64.5 | 146.9 | 154.3 | -72.2 | -165.9 | 172.4 | -172.9 | 0 | 120.8 | ||||
| 602 | A | 25.4 | Very low | 28.6 | Very low | 88 Ų | 88 | 137.6 Ų | 137.6 | 73% | 0.727 | 75% | 0.751 | S | S | * | * | cis | -164.3 | 152.4 | -11.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 603 | A | 26.5 | Very low | 28.4 | Very low | 85 Ų | 85 | 140 Ų | 140 | 70% | 0.702 | 76% | 0.759 | S | S | * | * | trans | 72 | 122.8 | 143.3 | 0 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 604 | H | 27.3 | Very low | 28.3 | Very low | 177 Ų | 177 | 143.1 Ų | 143.1 | 82% | 0.819 | 76% | 0.764 | S | S | * | * | trans | 61.7 | 148.6 | 139.9 | -69.1 | -13.9 | 0 | 0 | 0 | 121.1 | ||||
| 605 | E | 26.6 | Very low | 28 | Very low | 136 Ų | 136 | 143.9 Ų | 143.9 | 64% | 0.636 | 77% | 0.767 | S | S | * | * | cis | -151.6 | -175.3 | -16 | -136.2 | -159.5 | 129.5 | 0 | 0 | 112.4 | ||||
| 606 | K | 29.8 | Very low | 27.7 | Very low | 175 Ų | 175 | 137.1 Ų | 137.1 | 76% | 0.761 | 76% | 0.763 | S | S | * | * | trans | -27.1 | 130.2 | -178.4 | -66.2 | 175.9 | -173.6 | 112.5 | 0 | 121.2 | ||||
| 607 | A | 28.2 | Very low | 27.4 | Very low | 96 Ų | 96 | 137 Ų | 137 | 79% | 0.793 | 77% | 0.765 | S | S | * | * | 67.7 | 146.5 | 116.5 | 0 | 0 | 0 | 0 | 0 | 124.7 | |||||
| 608 | A | 28 | Very low | 27.1 | Very low | 96 Ų | 96 | 137.6 Ų | 137.6 | 79% | 0.793 | 76% | 0.764 | S | S | * | * | trans | 78.9 | 101.1 | 144.8 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 609 | D | 26.1 | Very low | 27 | Very low | 154 Ų | 154 | 138 Ų | 138 | 82% | 0.824 | 77% | 0.766 | S | S | * | * | 84.9 | 153.4 | 120.2 | -148.4 | 31.4 | 0 | 0 | 0 | 123.5 | |||||
| 610 | V | 27.7 | Very low | 27 | Very low | 130 Ų | 130 | 138.6 Ų | 138.6 | 79% | 0.788 | 77% | 0.765 | S | S | * | * | trans | 11.1 | 136.3 | 164.9 | 164 | 0 | 0 | 0 | 0 | 121 | ||||
| 611 | G | 26.8 | Very low | 27 | Very low | 74 Ų | 74 | 140.4 Ų | 140.4 | 76% | 0.763 | 77% | 0.767 | S | S | * | * | trans | 161.8 | 78.4 | 148 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 612 | K | 28.6 | Very low | 26.9 | Very low | 188 Ų | 188 | 139.7 Ų | 139.7 | 82% | 0.817 | 76% | 0.764 | S | S | * | * | trans | -1.9 | 123.4 | 153.2 | -72.4 | 179.4 | 178.4 | 176.3 | 0 | 121.9 | ||||
| 613 | Q | 24.4 | Very low | 27 | Very low | 163 Ų | 163 | 141.9 Ų | 141.9 | 76% | 0.762 | 77% | 0.769 | S | S | * | * | 82.4 | 155 | 111.6 | -155.3 | -179.6 | 3.9 | 0 | 0 | 121.8 | |||||
| 614 | V | 24.7 | Very low | 27.3 | Very low | 131 Ų | 131 | 143 Ų | 143 | 79% | 0.794 | 77% | 0.769 | S | S | * | * | trans | 82.8 | 147.3 | 166.9 | -166.2 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 615 | K | 25.8 | Very low | 27.1 | Very low | 197 Ų | 197 | 140.9 Ų | 140.9 | 86% | 0.857 | 77% | 0.768 | S | S | * | * | 176 | 116.5 | -56.7 | 170.8 | -171.2 | 175.6 | -174.9 | 0 | 110.1 | |||||
| 616 | A | 25.9 | Very low | 27.1 | Very low | 96 Ų | 96 | 139.3 Ų | 139.3 | 79% | 0.793 | 77% | 0.772 | S | S | * | * | trans | -171.5 | 151.3 | 166.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 617 | Q | 26.8 | Very low | 26.9 | Very low | 174 Ų | 174 | 139.6 Ų | 139.6 | 81% | 0.813 | 78% | 0.776 | S | S | * | * | cis | -169.3 | 158.4 | -24.3 | -157 | -172.2 | -19.1 | 0 | 0 | 108.9 | ||||
| 618 | T | 28 | Very low | 26.8 | Very low | 107 Ų | 107 | 140.3 Ų | 140.3 | 66% | 0.656 | 77% | 0.771 | S | S | * | * | trans | 74.7 | 135.8 | 154.8 | -34.2 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 619 | E | 25.8 | Very low | 26.6 | Very low | 155 Ų | 155 | 144.7 Ų | 144.7 | 72% | 0.724 | 77% | 0.772 | S | S | * | * | cis | -158 | 158.7 | 4.2 | -134.9 | 177.8 | 165.4 | 0 | 0 | 114 | ||||
| 620 | L | 28.3 | Very low | 26.5 | Very low | 128 Ų | 128 | 146.3 Ų | 146.3 | 67% | 0.67 | 77% | 0.771 | S | S | * | * | trans | 56.9 | 145.3 | 148.4 | -81.8 | 164.7 | 0 | 0 | 0 | 120.5 | ||||
| 621 | R | 26.8 | Very low | 26.5 | Very low | 195 Ų | 195 | 146 Ų | 146 | 74% | 0.736 | 77% | 0.77 | S | S | * | * | cis | -164.8 | 118.6 | 11.3 | -174.6 | 174 | -179.3 | 133.3 | -9 | 114.7 | ||||
| 622 | K | 28.5 | Very low | 26.5 | Very low | 188 Ų | 188 | 147.9 Ų | 147.9 | 82% | 0.817 | 77% | 0.769 | S | S | * | * | trans | 70.8 | 162.9 | 150.4 | -63 | -172.1 | 177.6 | -165.9 | 0 | 122.1 | ||||
| 623 | T | 26.1 | Very low | 26.2 | Very low | 134 Ų | 134 | 145 Ų | 145 | 82% | 0.822 | 77% | 0.766 | S | S | * | * | trans | -118.3 | -171.8 | -168 | 50.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 624 | P | 32.8 | Very low | 26.2 | Very low | 110 Ų | 110 | 141.7 Ų | 141.7 | 71% | 0.714 | 76% | 0.758 | S | S | * | * | cis | -150 | 165.5 | 14.6 | 45.4 | -24.2 | 0 | 0 | 0 | 121.7 | ||||
| 625 | V | 23.5 | Very low | 26.2 | Very low | 131 Ų | 131 | 142.5 Ų | 142.5 | 79% | 0.794 | 75% | 0.753 | S | S | * | * | trans | 59.3 | 112.9 | 133.9 | 176.8 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 626 | S | 27.7 | Very low | 26.2 | Very low | 103 Ų | 103 | 136.9 Ų | 136.9 | 72% | 0.72 | 74% | 0.738 | S | S | * | * | 52.9 | 120.7 | 129.2 | -50 | 0 | 0 | 0 | 0 | 127.6 | |||||
| 627 | E | 24.9 | Very low | 26 | Very low | 181 Ų | 181 | 140.4 Ų | 140.4 | 85% | 0.846 | 74% | 0.738 | S | S | * | * | 63.2 | 146.9 | 113.7 | -141.2 | -162.6 | 151.8 | 0 | 0 | 125 | |||||
| 628 | V | 25.7 | Very low | 26 | Very low | 112 Ų | 112 | 138.3 Ų | 138.3 | 68% | 0.679 | 74% | 0.737 | S | S | * | * | trans | 107.7 | 112.8 | 151 | -172.3 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 629 | K | 24.2 | Very low | 25.8 | Very low | 187 Ų | 187 | 140.5 Ų | 140.5 | 81% | 0.813 | 75% | 0.751 | S | S | * | * | trans | 21 | 138.6 | 145.4 | -68.1 | 169.6 | 178.5 | 162.3 | 0 | 124.6 | ||||
| 630 | K | 24.2 | Very low | 25.8 | Very low | 188 Ų | 188 | 136.8 Ų | 136.8 | 82% | 0.817 | 75% | 0.754 | S | S | * | * | trans | 84.5 | 110.6 | 142.1 | -77.4 | 178.4 | 175.2 | -170.8 | 0 | 121.8 | ||||
| 631 | T | 26.7 | Very low | 25.5 | Very low | 124 Ų | 124 | 136.5 Ų | 136.5 | 76% | 0.761 | 76% | 0.763 | S | S | * | * | trans | 8.4 | 144.5 | 132.1 | 53.8 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 632 | P | 27.7 | Very low | 25.7 | Very low | 113 Ų | 113 | 132.8 Ų | 132.8 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | -159.7 | -179.7 | 62.1 | 45.9 | -25.2 | 0 | 0 | 0 | 120.1 | |||||
| 633 | V | 22.5 | Very low | 25.5 | Very low | 127 Ų | 127 | 132.4 Ų | 132.4 | 77% | 0.77 | 77% | 0.768 | S | S | * | * | trans | 52 | 137.3 | 135.7 | 164.7 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 634 | T | 24.1 | Very low | 25.5 | Very low | 95 Ų | 95 | 135.8 Ų | 135.8 | 58% | 0.583 | 77% | 0.772 | S | S | * | * | cis | -171.9 | 158.9 | -18.8 | 38.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 635 | Q | 24.2 | Very low | 25.1 | Very low | 148 Ų | 148 | 137.6 Ų | 137.6 | 69% | 0.692 | 77% | 0.774 | S | S | * | * | trans | 66 | 171.7 | 146.4 | -75.8 | 170.6 | 22.9 | 0 | 0 | 119.6 | ||||
| 636 | S | 25.3 | Very low | 25.3 | Very low | 79 Ų | 79 | 136.6 Ų | 136.6 | 55% | 0.552 | 77% | 0.77 | S | S | * | * | cis | -179.1 | 151.8 | -43.2 | -88.7 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 637 | Q | 22 | Very low | 25.3 | Very low | 170 Ų | 170 | 139.2 Ų | 139.2 | 79% | 0.794 | 78% | 0.775 | S | S | * | * | trans | -167.8 | 160.9 | 134.5 | -113.2 | 172.4 | 33 | 0 | 0 | 114.2 | ||||
| 638 | T | 27.9 | Very low | 25.4 | Very low | 129 Ų | 129 | 138.8 Ų | 138.8 | 79% | 0.791 | 77% | 0.772 | S | S | * | * | trans | -112.5 | 145.8 | -176.3 | 44.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 639 | T | 22.8 | Very low | 25.4 | Very low | 153 Ų | 153 | 142.1 Ų | 142.1 | 94% | 0.939 | 78% | 0.78 | S | S | * | * | trans | -137.3 | 148.3 | 147.3 | 47.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 640 | G | 25.8 | Very low | 25.7 | Very low | 77 Ų | 77 | 138.8 Ų | 138.8 | 79% | 0.794 | 78% | 0.777 | S | S | * | * | trans | -127.4 | 148.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 641 | S | 21.9 | Very low | 25.8 | Very low | 122 Ų | 122 | 135 Ų | 135 | 85% | 0.853 | 78% | 0.781 | S | S | * | * | trans | -158 | 150.2 | 161.6 | 54.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 642 | S | 30.7 | Very low | 26 | Very low | 118 Ų | 118 | 133.9 Ų | 133.9 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | trans | -94.5 | 122.8 | 178.1 | 175.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 643 | Q | 25.2 | Very low | 26.2 | Very low | 180 Ų | 180 | 138.2 Ų | 138.2 | 84% | 0.841 | 79% | 0.792 | S | S | * | * | trans | -143.3 | 152.8 | 163.4 | -71.8 | -160.9 | -7.5 | 0 | 0 | 111.2 | ||||
| 644 | F | 25.6 | Very low | 26.8 | Very low | 205 Ų | 205 | 137.5 Ų | 137.5 | 90% | 0.899 | 79% | 0.79 | S | S | * | * | trans | -122.7 | 105 | -163.3 | -151.6 | -79.3 | 0 | 0 | 0 | 109.4 | ||||
| 645 | I | 24.7 | Very low | 27.1 | Very low | 148 Ų | 148 | 139 Ų | 139 | 76% | 0.759 | 80% | 0.801 | S | S | * | * | trans | -140.6 | 129.1 | 170.1 | -59.4 | -176.1 | 0 | 0 | 0 | 108.7 | ||||
| 646 | P | 27.6 | Very low | 27.5 | Very low | 109 Ų | 109 | 140 Ų | 140 | 71% | 0.708 | 81% | 0.81 | S | S | * | * | trans | -89 | 147.2 | -178.4 | 35 | -34.6 | 0 | 0 | 0 | 113.1 | ||||
| 647 | I | 27.5 | Very low | 27.8 | Very low | 159 Ų | 159 | 142 Ų | 142 | 82% | 0.815 | 82% | 0.821 | S | S | * | * | trans | -135.3 | 120.9 | 165.9 | -60.8 | -179.8 | 0 | 0 | 0 | 108.6 | ||||
| 648 | H | 26.4 | Very low | 28.3 | Very low | 172 Ų | 172 | 139.8 Ų | 139.8 | 80% | 0.796 | 83% | 0.825 | S | S | * | * | trans | -75.8 | 147.3 | 169.4 | -81 | -108.6 | 0 | 0 | 0 | 110.8 | ||||
| 649 | H | 27.7 | Very low | 28.5 | Very low | 182 Ų | 182 | 145 Ų | 145 | 84% | 0.843 | 83% | 0.83 | S | S | * | * | trans | -156 | 156.8 | 134.8 | -98.5 | -69.4 | 0 | 0 | 0 | 110.4 | ||||
| 650 | P | 29.3 | Very low | 28.9 | Very low | 117 Ų | 117 | 143.5 Ų | 143.5 | 76% | 0.76 | 82% | 0.823 | S | S | * | * | trans | -124.4 | 126.4 | -152.3 | 37.1 | -21.7 | 0 | 0 | 0 | 115.7 | ||||
| 651 | A | 27.3 | Very low | 28.9 | Very low | 109 Ų | 109 | 144.7 Ų | 144.7 | 90% | 0.901 | 82% | 0.819 | S | S | * | * | trans | -160.7 | 80.5 | 162.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 652 | A | 29.3 | Very low | 29.4 | Very low | 100 Ų | 100 | 148.5 Ų | 148.5 | 83% | 0.826 | 82% | 0.821 | S | S | * | * | trans | -139.3 | 143.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 653 | F | 32.3 | Very low | 29.5 | Very low | 204 Ų | 204 | 148 Ų | 148 | 90% | 0.895 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 148.3 | 179.3 | -82.8 | -102.4 | 0 | 0 | 0 | 111.6 | ||
| 654 | P | 35 | Very low | 29.6 | Very low | 112 Ų | 112 | 145.3 Ų | 145.3 | 73% | 0.727 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 148.6 | -179.6 | 30.9 | -35.4 | 0 | 0 | 0 | 112.2 | ||
| 655 | P | 32 | Very low | 29.8 | Very low | 125 Ų | 125 | 140.9 Ų | 140.9 | 81% | 0.812 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 154.3 | 172.3 | 30.4 | -35.1 | 0 | 0 | 0 | 111.9 | ||
| 656 | L | 32.5 | Very low | 30 | Very low | 169 Ų | 169 | 138 Ų | 138 | 89% | 0.885 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 141.8 | -179.1 | -67.6 | 170.2 | 0 | 0 | 0 | 112.3 | S658 | L656-S658 PolarHBondContact O-N 2.84Š|
| 657 | P | 31.2 | Very low | 30.1 | Very low | 121 Ų | 121 | 143.7 Ų | 143.7 | 79% | 0.786 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 120.2 | 176.4 | 30.4 | -33.5 | 0 | 0 | 0 | 111.3 | ||
| 658 | S | 32 | Very low | 30.1 | Very low | 124 Ų | 124 | 142.2 Ų | 142.2 | 87% | 0.867 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 136.9 | 165.2 | 48.6 | 0 | 0 | 0 | 0 | 110.4 | L656 | L656-S658 PolarHBondContact O-N 2.84Š|
| 659 | R | 32.6 | Very low | 30.3 | Very low | 240 Ų | 240 | 141.3 Ų | 141.3 | 91% | 0.906 | 81% | 0.812 | S | S | * | * | trans | -137.8 | 136.1 | 176.7 | -125.4 | -171.5 | 177.7 | -154 | -2.1 | 111.6 | ||||
| 660 | P | 31.3 | Very low | 30.5 | Very low | 121 Ų | 121 | 137.7 Ų | 137.7 | 79% | 0.786 | 80% | 0.804 | S | S | * | * | trans | -97.1 | 136.9 | -175.1 | 35.4 | -32.8 | 0 | 0 | 0 | 113.3 | ||||
| 661 | S | 26.1 | Very low | 30.6 | Very low | 102 Ų | 102 | 137.2 Ų | 137.2 | 71% | 0.713 | 80% | 0.801 | S | S | * | * | trans | -166.9 | 152.2 | 153.8 | 49.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 662 | F | 30.5 | Very low | 30.8 | Very low | 201 Ų | 201 | 138.4 Ų | 138.4 | 88% | 0.882 | 80% | 0.8 | S | S | * | * | S | Bend | trans | 74.3 | 147.3 | -179.5 | -67 | -82.4 | 0 | 0 | 0 | 117.8 | ||
| 663 | P | 33 | Very low | 30.9 | Very low | 108 Ų | 108 | 140.1 Ų | 140.1 | 70% | 0.701 | 80% | 0.8 | S | S | * | * | trans | -97.6 | 158.9 | -157.4 | 37.9 | -36.5 | 0 | 0 | 0 | 114.6 | ||||
| 664 | P | 28.7 | Very low | 30.7 | Very low | 124 Ų | 124 | 134.7 Ų | 134.7 | 81% | 0.805 | 79% | 0.792 | S | S | * | * | trans | -72.5 | 136.4 | 171.3 | 30.8 | -34.3 | 0 | 0 | 0 | 111.6 | A666 | P664-A666 PolarHBondContact O-N 3.36Š| ||
| 665 | S | 28.2 | Very low | 30.4 | Very low | 112 Ų | 112 | 139.2 Ų | 139.2 | 78% | 0.783 | 80% | 0.801 | S | S | * | * | trans | -80.9 | 112.3 | 162.6 | -70 | 0 | 0 | 0 | 0 | 109.3 | Y667 | S665-Y667 PolarHBondContact O-N 2.92Š| ||
| 666 | A | 28.7 | Very low | 30.3 | Very low | 86 Ų | 86 | 139.1 Ų | 139.1 | 71% | 0.711 | 80% | 0.8 | S | S | * | * | trans | -79.6 | 117.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | P664 | P664-A666 PolarHBondContact O-N 3.36Š| ||
| 667 | Y | 30.6 | Very low | 30.1 | Very low | 230 Ų | 230 | 134.6 Ų | 134.6 | 90% | 0.902 | 79% | 0.794 | S | S | * | * | trans | -102.1 | 88.4 | 160 | -87 | -82.5 | 0 | 0 | 0 | 109.3 | S665 | S665-Y667 PolarHBondContact O-N 2.92Š| ||
| 668 | V | 28.3 | Very low | 30 | Very low | 128 Ų | 128 | 136.7 Ų | 136.7 | 78% | 0.776 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -88.2 | 135.1 | 165.6 | 178.5 | 0 | 0 | 0 | 0 | 108.2 | P670 | V668-P670 WeakPolarHBondContact O-CD 3.42Š|
| 669 | I | 30.4 | Very low | 29.7 | Very low | 153 Ų | 153 | 139.6 Ų | 139.6 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 123.9 | -177.5 | -60.4 | 166.6 | 0 | 0 | 0 | 109.7 | ||
| 670 | P | 31.5 | Very low | 29.6 | Very low | 105 Ų | 105 | 134.6 Ų | 134.6 | 68% | 0.682 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 137.9 | 167.2 | 31.3 | -32.4 | 0 | 0 | 0 | 110.3 | V668 | V668-P670 WeakPolarHBondContact O-CD 3.42Š|
| 671 | P | 31.1 | Very low | 29.4 | Very low | 107 Ų | 107 | 136 Ų | 136 | 70% | 0.695 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 154.1 | 171.2 | 29.5 | -34.4 | 0 | 0 | 0 | 111 | V673 | P671-V673 PolarHBondContact O-N 3.45Š|
| 672 | P | 32.4 | Very low | 29.7 | Very low | 135 Ų | 135 | 136.7 Ų | 136.7 | 88% | 0.877 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 125.4 | -173.5 | 27.4 | -34.7 | 0 | 0 | 0 | 112.3 | ||
| 673 | V | 29.8 | Very low | 29.5 | Very low | 136 Ų | 136 | 130.1 Ų | 130.1 | 82% | 0.824 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -86.4 | 124.6 | 168.7 | 178.9 | 0 | 0 | 0 | 0 | 108.8 | P671 | P671-V673 PolarHBondContact O-N 3.45Š|
| 674 | A | 28.4 | Very low | 29.3 | Very low | 89 Ų | 89 | 135 Ų | 135 | 74% | 0.736 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 137.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 675 | F | 29.8 | Very low | 29.2 | Very low | 208 Ų | 208 | 134.4 Ų | 134.4 | 91% | 0.912 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 126.1 | 167.9 | -87.6 | -90.5 | 0 | 0 | 0 | 110.5 | ||
| 676 | P | 29 | Very low | 29 | Very low | 122 Ų | 122 | 137.9 Ų | 137.9 | 79% | 0.792 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -86.4 | 143 | 173.3 | 33.9 | -32.7 | 0 | 0 | 0 | 111.7 | ||
| 677 | G | 28.5 | Very low | 29.4 | Very low | 74 Ų | 74 | 139.7 Ų | 139.7 | 76% | 0.763 | 80% | 0.796 | S | S | * | * | trans | 97 | 84.9 | 158.9 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 678 | I | 28.9 | Very low | 29.3 | Very low | 166 Ų | 166 | 133.2 Ų | 133.2 | 85% | 0.851 | 79% | 0.789 | S | S | * | * | -151.4 | 130.9 | 116.5 | -97.8 | 153.6 | 0 | 0 | 0 | 106.9 | V680 | I678-V680 HydrophobicContact CG2-CG2 4.46Š| |||
| 679 | Q | 25.8 | Very low | 29.3 | Very low | 184 Ų | 184 | 130.5 Ų | 130.5 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | trans | -101.4 | 130.6 | 170.5 | -75.9 | -176.8 | -24.7 | 0 | 0 | 109.4 | ||||
| 680 | V | 29.8 | Very low | 29.1 | Very low | 136 Ų | 136 | 129.7 Ų | 129.7 | 82% | 0.824 | 79% | 0.789 | S | S | * | * | trans | -137.2 | 128.9 | 148.5 | -164.4 | 0 | 0 | 0 | 0 | 106.1 | I678 | I678-V680 HydrophobicContact CG2-CG2 4.46Š| ||
| 681 | N | 27.4 | Very low | 28.8 | Very low | 150 Ų | 150 | 130.1 Ų | 130.1 | 80% | 0.802 | 80% | 0.795 | S | S | * | * | trans | -82.1 | 157 | -170.2 | -110.4 | -12.8 | 0 | 0 | 0 | 112.9 | ||||
| 682 | P | 33.3 | Very low | 28.5 | Very low | 117 Ų | 117 | 131.7 Ų | 131.7 | 76% | 0.76 | 80% | 0.803 | S | S | * | * | trans | -85.7 | 165.6 | -170.7 | 35.8 | -37.1 | 0 | 0 | 0 | 113.7 | ||||
| 683 | G | 25.3 | Very low | 29 | Very low | 62 Ų | 62 | 131 Ų | 131 | 64% | 0.639 | 80% | 0.798 | S | S | * | * | trans | -111 | 140.7 | 168.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 684 | F | 29.3 | Very low | 28.8 | Very low | 210 Ų | 210 | 128.1 Ų | 128.1 | 92% | 0.921 | 79% | 0.788 | S | S | * | * | trans | 71.6 | 146 | 173.1 | -64.4 | -81.5 | 0 | 0 | 0 | 118.5 | ||||
| 685 | T | 26.4 | Very low | 28.9 | Very low | 112 Ų | 112 | 128.5 Ų | 128.5 | 69% | 0.687 | 79% | 0.786 | S | S | * | * | trans | -161.7 | 143.8 | -155.9 | 49.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 686 | F | 24.1 | Very low | 28.8 | Very low | 185 Ų | 185 | 127.5 Ų | 127.5 | 81% | 0.811 | 78% | 0.781 | S | S | * | * | trans | 68.1 | 163.2 | 157.6 | -63.8 | -49.4 | 0 | 0 | 0 | 117.8 | ||||
| 687 | P | 38 | Very low | 28.8 | Very low | 125 Ų | 125 | 127.4 Ų | 127.4 | 81% | 0.812 | 77% | 0.773 | S | S | * | * | cis | -125.1 | -169.6 | 8.5 | 42.2 | -27.5 | 0 | 0 | 0 | 115.3 | ||||
| 688 | A | 27.8 | Very low | 28.8 | Very low | 93 Ų | 93 | 131.9 Ų | 131.9 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | -175.4 | 151.1 | -52.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 689 | G | 27.7 | Very low | 28.8 | Very low | 72 Ų | 72 | 128.6 Ų | 128.6 | 74% | 0.742 | 77% | 0.766 | S | S | * | * | trans | 117.2 | 151.4 | 169 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 690 | V | 27.2 | Very low | 28.8 | Very low | 135 Ų | 135 | 124.2 Ų | 124.2 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | cis | -146.2 | 130.7 | 1.9 | 175.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 691 | S | 25.7 | Very low | 28.7 | Very low | 115 Ų | 115 | 123.4 Ų | 123.4 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | trans | 69.6 | 144.8 | 156 | -65 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 692 | V | 25 | Very low | 28.8 | Very low | 140 Ų | 140 | 123.6 Ų | 123.6 | 85% | 0.848 | 75% | 0.752 | S | S | * | * | trans | -107.6 | -168.4 | 172.1 | -122.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 693 | P | 41.6 | Very low | 28.5 | Very low | 119 Ų | 119 | 124 Ų | 124 | 77% | 0.773 | 74% | 0.744 | S | S | * | * | cis | -132.9 | -165.6 | 17 | 44.6 | -23.5 | 0 | 0 | 0 | 113.6 | ||||
| 694 | A | 26.7 | Very low | 28.6 | Very low | 76 Ų | 76 | 129.2 Ų | 129.2 | 63% | 0.628 | 75% | 0.752 | S | S | * | * | cis | -158.8 | 159.2 | 13.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 695 | S | 30.2 | Very low | 28.6 | Very low | 97 Ų | 97 | 123.6 Ų | 123.6 | 68% | 0.678 | 74% | 0.744 | S | S | * | * | trans | 49.3 | 144.8 | 145.1 | 55.7 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 696 | F | 27.4 | Very low | 28.6 | Very low | 188 Ų | 188 | 122.4 Ų | 122.4 | 83% | 0.825 | 76% | 0.755 | S | S | * | * | cis | -177.1 | 171.4 | 6.9 | -107.7 | -177.3 | 0 | 0 | 0 | 107.3 | ||||
| 697 | L | 29.7 | Very low | 28.8 | Very low | 119 Ų | 119 | 117.6 Ų | 117.6 | 62% | 0.623 | 76% | 0.757 | S | S | * | * | cis | -148.7 | 156.8 | -1.9 | -103.3 | 169.6 | 0 | 0 | 0 | 106.9 | ||||
| 698 | Q | 28.5 | Very low | 28.3 | Very low | 168 Ų | 168 | 120.9 Ų | 120.9 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | 38 | 142.4 | 97.5 | -67.6 | -170.1 | -4.3 | 0 | 0 | 118.1 | |||||
| 699 | S | 27.2 | Very low | 28.4 | Very low | 98 Ų | 98 | 121.6 Ų | 121.6 | 69% | 0.685 | 77% | 0.767 | S | S | * | * | cis | -168.3 | 153.1 | 2.5 | -113.1 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 700 | A | 27.1 | Very low | 28.4 | Very low | 91 Ų | 91 | 122 Ų | 122 | 75% | 0.752 | 77% | 0.772 | S | S | * | * | trans | 65.1 | 166.7 | 140.6 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 701 | V | 26.7 | Very low | 28.5 | Very low | 120 Ų | 120 | 124.6 Ų | 124.6 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | cis | -170.8 | 168.7 | -24 | 138.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 702 | H | 29.5 | Very low | 28.6 | Very low | 153 Ų | 153 | 127.2 Ų | 127.2 | 71% | 0.708 | 77% | 0.771 | S | S | * | * | trans | 74.9 | 160.1 | 164.2 | -93.7 | 37.7 | 0 | 0 | 0 | 118.1 | ||||
| 703 | Q | 28 | Very low | 28.6 | Very low | 125 Ų | 125 | 125.8 Ų | 125.8 | 58% | 0.584 | 77% | 0.768 | S | S | * | * | cis | -168 | 157.9 | -33.2 | -125.6 | -166 | 31.6 | 0 | 0 | 110.1 | ||||
| 704 | Q | 27.6 | Very low | 28 | Very low | 172 Ų | 172 | 128.7 Ų | 128.7 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | trans | 58.8 | 177.6 | 158.6 | -67.4 | -176.7 | 6.2 | 0 | 0 | 118.5 | ||||
| 705 | A | 27.9 | Very low | 28.6 | Very low | 92 Ų | 92 | 132.3 Ų | 132.3 | 76% | 0.76 | 78% | 0.778 | S | S | * | * | -170.3 | 138.8 | -57.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 706 | G | 26.7 | Very low | 29.3 | Very low | 88 Ų | 88 | 132.6 Ų | 132.6 | 91% | 0.907 | 78% | 0.777 | S | S | * | * | trans | 77.1 | 176.9 | 162.1 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 707 | G | 28 | Very low | 29.3 | Very low | 83 Ų | 83 | 134 Ų | 134 | 86% | 0.856 | 78% | 0.779 | S | S | * | * | trans | 123.4 | 112.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 708 | Q | 27.5 | Very low | 29.4 | Very low | 194 Ų | 194 | 132 Ų | 132 | 91% | 0.907 | 78% | 0.775 | S | S | * | * | trans | -96.2 | 156.6 | 166.4 | -71.4 | -178.7 | -20 | 0 | 0 | 111.1 | ||||
| 709 | A | 30.4 | Very low | 29.5 | Very low | 109 Ų | 109 | 131.6 Ų | 131.6 | 90% | 0.901 | 77% | 0.773 | S | S | * | * | trans | 51 | 128.3 | 147.1 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 710 | G | 28.5 | Very low | 29.7 | Very low | 81 Ų | 81 | 135 Ų | 135 | 84% | 0.835 | 78% | 0.778 | S | S | * | * | trans | -164.8 | 144.9 | 165.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 711 | K | 28.3 | Very low | 29.7 | Very low | 189 Ų | 189 | 141.8 Ų | 141.8 | 82% | 0.822 | 78% | 0.784 | S | S | * | * | trans | -109.3 | 152.2 | 178.8 | -72.5 | -179.3 | 179.7 | 176.4 | 0 | 111.2 | ||||
| 712 | Q | 27.6 | Very low | 30.8 | Very low | 169 Ų | 169 | 141.3 Ų | 141.3 | 79% | 0.79 | 78% | 0.784 | S | S | * | * | trans | 35.9 | 123.7 | 143.2 | -61 | 168.2 | -68 | 0 | 0 | 119 | ||||
| 713 | S | 26.1 | Very low | 30.8 | Very low | 111 Ų | 111 | 139.5 Ų | 139.5 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | -176.7 | 148.8 | 112.4 | 40.1 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 714 | H | 27.6 | Very low | 30.8 | Very low | 180 Ų | 180 | 136.9 Ų | 136.9 | 83% | 0.833 | 80% | 0.795 | S | S | * | * | trans | 53.6 | 117.8 | 146.3 | -84.6 | -87.6 | 0 | 0 | 0 | 124.3 | ||||
| 715 | I | 39.4 | Very low | 31.7 | Very low | 151 Ų | 151 | 135 Ų | 135 | 77% | 0.774 | 80% | 0.798 | S | S | * | * | trans | -61.4 | 160.7 | 143.5 | -13.1 | 174.4 | 0 | 0 | 0 | 110.1 | ||||
| 716 | P | 44.5 | Very low | 31.9 | Very low | 103 Ų | 103 | 134.3 Ų | 134.3 | 67% | 0.669 | 80% | 0.799 | S | S | * | * | -159.3 | -175.9 | 90.4 | 44.9 | -25.5 | 0 | 0 | 0 | 117.9 | |||||
| 717 | Y | 28.3 | Very low | 32.3 | Very low | 218 Ų | 218 | 135.2 Ų | 135.2 | 86% | 0.855 | 80% | 0.798 | S | S | * | * | trans | 70.5 | 143.6 | 169 | -81.2 | -109.7 | 0 | 0 | 0 | 118.7 | ||||
| 718 | S | 31.6 | Very low | 32.6 | Very low | 78 Ų | 78 | 136.8 Ų | 136.8 | 55% | 0.545 | 80% | 0.796 | S | S | . | * | cis | -175.9 | 170.1 | -16.9 | 53.9 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 719 | Q | 30.5 | Very low | 32.9 | Very low | 159 Ų | 159 | 130.8 Ų | 130.8 | 74% | 0.743 | 79% | 0.786 | S | S | * | * | trans | 76 | 146.8 | 159.9 | -56 | -165 | 93.4 | 0 | 0 | 118 | ||||
| 720 | Q | 31.5 | Very low | 32.9 | Very low | 170 Ų | 170 | 135.3 Ų | 135.3 | 79% | 0.794 | 79% | 0.789 | S | S | * | * | cis | -152.9 | -174.7 | -13.7 | -117.6 | -168.1 | 36.9 | 0 | 0 | 112.4 | ||||
| 721 | R | 28.2 | Very low | 32.9 | Very low | 232 Ų | 232 | 134.8 Ų | 134.8 | 88% | 0.875 | 78% | 0.783 | S | S | * | * | trans | -79.6 | -177.3 | -175 | -118.2 | -166.2 | 175.5 | 177.8 | -0.4 | 113.1 | ||||
| 722 | P | 49.3 | Very low | 33.8 | Very low | 110 Ų | 110 | 132.2 Ų | 132.2 | 71% | 0.714 | 79% | 0.786 | S | S | * | * | cis | -145.9 | 178.1 | 29.6 | 44.6 | -24 | 0 | 0 | 0 | 120.6 | ||||
| 723 | S | 29.9 | Very low | 33.9 | Very low | 115 Ų | 115 | 127.4 Ų | 127.4 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | trans | 85.6 | 137.6 | 151.3 | -60.7 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 724 | G | 27.3 | Very low | 35.4 | Very low | 71 Ų | 71 | 127.7 Ų | 127.7 | 73% | 0.732 | 78% | 0.78 | S | S | * | * | trans | -119.1 | -161.6 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 725 | P | 46.2 | Very low | 35.7 | Very low | 133 Ų | 133 | 127 Ų | 127 | 86% | 0.864 | 78% | 0.782 | S | S | * | * | -133.6 | 178.1 | 55.1 | 38.9 | -22.6 | 0 | 0 | 0 | 114.1 | |||||
| 726 | G | 33.1 | Very low | 35.4 | Very low | 76 Ų | 76 | 124 Ų | 124 | 78% | 0.784 | 78% | 0.775 | S | S | * | * | cis | 106.9 | 129.1 | 2.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 727 | A | 35.1 | Very low | 34.7 | Very low | 107 Ų | 107 | 128 Ų | 128 | 88% | 0.884 | 78% | 0.784 | S | S | * | * | cis | -131.2 | -149.5 | -4.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 728 | S | 33.8 | Very low | 34.6 | Very low | 117 Ų | 117 | 120.5 Ų | 120.5 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | cis | -154.8 | -174.2 | -1.4 | 61.4 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 729 | G | 32.7 | Very low | 35.9 | Very low | 68 Ų | 68 | 122.5 Ų | 122.5 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | cis | -178.8 | -169.5 | 2.6 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 730 | Q | 31.8 | Very low | 36 | Very low | 204 Ų | 204 | 120.3 Ų | 120.3 | 95% | 0.953 | 79% | 0.787 | S | S | * | * | cis | -141.5 | -83.1 | -1.6 | -62.1 | -173.2 | 49.3 | 0 | 0 | 112 | ||||
| 731 | G | 27.2 | Very low | 36.1 | Very low | 69 Ų | 69 | 116.1 Ų | 116.1 | 71% | 0.711 | 78% | 0.782 | S | S | * | * | trans | 163.2 | -165.7 | -177 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 732 | P | 48.5 | Very low | 36.3 | Very low | 136 Ų | 136 | 113.3 Ų | 113.3 | 88% | 0.883 | 78% | 0.779 | S | S | * | * | cis | -137 | -170.8 | 10.1 | 42.5 | -23.7 | 0 | 0 | 0 | 116.5 | ||||
| 733 | G | 29.5 | Very low | 35.4 | Very low | 67 Ų | 67 | 114.2 Ų | 114.2 | 69% | 0.691 | 77% | 0.773 | S | S | * | * | trans | -105.2 | -146.7 | 167.7 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 734 | P | 58.3 | Low | 35.5 | Very low | 117 Ų | 117 | 115.8 Ų | 115.8 | 76% | 0.76 | 77% | 0.768 | S | S | * | * | cis | -147.7 | -157.6 | 11.7 | 40.2 | -15.9 | 0 | 0 | 0 | 117 | ||||
| 735 | L | 33.1 | Very low | 35.6 | Very low | 165 Ų | 165 | 119.7 Ų | 119.7 | 86% | 0.864 | 77% | 0.767 | S | S | * | * | trans | 79.5 | 137.9 | 167.3 | -60.1 | 152.3 | 0 | 0 | 0 | 117.5 | ||||
| 736 | S | 33.2 | Very low | 34.7 | Very low | 90 Ų | 90 | 121.7 Ų | 121.7 | 63% | 0.629 | 77% | 0.765 | S | S | * | * | cis | -161 | -166.3 | -9.9 | 57 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 737 | Q | 30.7 | Very low | 35.2 | Very low | 185 Ų | 185 | 123.8 Ų | 123.8 | 86% | 0.864 | 76% | 0.764 | S | S | * | * | cis | -160.8 | -147.4 | 9.6 | -142.1 | 164.9 | 119.9 | 0 | 0 | 111.4 | ||||
| 738 | G | 26 | Very low | 34.9 | Very low | 62 Ų | 62 | 123.7 Ų | 123.7 | 64% | 0.639 | 76% | 0.758 | S | S | * | * | trans | -168.3 | -161.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 739 | P | 58.1 | Low | 35.4 | Very low | 120 Ų | 120 | 123 Ų | 123 | 78% | 0.779 | 75% | 0.75 | S | S | * | * | cis | -143.9 | -166.8 | -1.6 | 41.9 | -20.5 | 0 | 0 | 0 | 117 | ||||
| 740 | S | 32.8 | Very low | 35.2 | Very low | 112 Ų | 112 | 126.9 Ų | 126.9 | 78% | 0.783 | 75% | 0.75 | S | S | * | * | trans | 70.6 | 150.1 | 156.6 | 38.3 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 741 | A | 33.9 | Very low | 35.2 | Very low | 82 Ų | 82 | 125 Ų | 125 | 68% | 0.678 | 74% | 0.741 | S | S | * | * | cis | -168.3 | 170.7 | -14.5 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 742 | Q | 31 | Very low | 35.2 | Very low | 174 Ų | 174 | 125.4 Ų | 125.4 | 81% | 0.813 | 74% | 0.738 | S | S | * | * | trans | 68.4 | 158.3 | 159.9 | -68.4 | -177.3 | -76.1 | 0 | 0 | 120.7 | ||||
| 743 | Q | 32 | Very low | 34.2 | Very low | 129 Ų | 129 | 126.2 Ų | 126.2 | 60% | 0.603 | 73% | 0.734 | S | S | * | * | cis | -174.6 | 138.6 | -28.9 | 176.6 | 165.8 | -10.3 | 0 | 0 | 111.6 | ||||
| 744 | Q | 30.5 | Very low | 34.2 | Very low | 147 Ų | 147 | 130.6 Ų | 130.6 | 69% | 0.687 | 74% | 0.736 | S | S | * | * | trans | 58.1 | 165.6 | 162.5 | -76 | 176.6 | -78.3 | 0 | 0 | 118.7 | ||||
| 745 | Q | 29.7 | Very low | 32.8 | Very low | 153 Ų | 153 | 133.1 Ų | 133.1 | 72% | 0.715 | 74% | 0.738 | S | S | * | * | cis | -174.8 | 160.3 | -34.7 | -108.5 | 179.4 | -45.2 | 0 | 0 | 106.2 | ||||
| 746 | Q | 27.6 | Very low | 32.6 | Very low | 176 Ų | 176 | 130.7 Ų | 130.7 | 82% | 0.822 | 74% | 0.735 | S | S | * | * | trans | -21.1 | 172.5 | 162.9 | -83.4 | 179.1 | -35 | 0 | 0 | 121.5 | ||||
| 747 | P | 43.7 | Very low | 32.3 | Very low | 119 Ų | 119 | 132.1 Ų | 132.1 | 77% | 0.773 | 74% | 0.739 | S | S | * | * | cis | -137.1 | -172.1 | 19.5 | 39 | -18.2 | 0 | 0 | 0 | 117.5 | ||||
| 748 | S | 29.5 | Very low | 32.2 | Very low | 106 Ų | 106 | 131.1 Ų | 131.1 | 74% | 0.741 | 74% | 0.735 | S | S | * | * | trans | -83.7 | 175 | 164.2 | 56.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 749 | P | 43.8 | Very low | 32.4 | Very low | 101 Ų | 101 | 134.7 Ų | 134.7 | 66% | 0.656 | 74% | 0.738 | S | S | * | * | -156.1 | 162.8 | 99.7 | 40.4 | -21.9 | 0 | 0 | 0 | 119.1 | |||||
| 750 | Q | 29 | Very low | 31 | Very low | 151 Ų | 151 | 136.9 Ų | 136.9 | 71% | 0.706 | 74% | 0.738 | S | S | * | * | trans | 59.5 | 132.1 | 138 | -70 | 169.1 | -82.8 | 0 | 0 | 125.1 | ||||
| 751 | Q | 30.2 | Very low | 30.8 | Very low | 164 Ų | 164 | 136.3 Ų | 136.3 | 77% | 0.766 | 73% | 0.73 | S | S | * | * | 47.2 | 154.1 | 125.5 | -60.4 | 172.5 | -71.1 | 0 | 0 | 121.4 | |||||
| 752 | A | 28.6 | Very low | 30.6 | Very low | 77 Ų | 77 | 140.6 Ų | 140.6 | 64% | 0.636 | 74% | 0.736 | S | S | * | * | cis | -174 | -179.6 | -19.5 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 753 | L | 27.3 | Very low | 30.5 | Very low | 154 Ų | 154 | 136.4 Ų | 136.4 | 81% | 0.806 | 73% | 0.731 | S | S | * | * | trans | 66.3 | 162.5 | 174.4 | -95.4 | 71.8 | 0 | 0 | 0 | 115 | ||||
| 754 | Q | 28.8 | Very low | 30.3 | Very low | 158 Ų | 158 | 137.7 Ų | 137.7 | 74% | 0.738 | 74% | 0.741 | S | S | * | * | cis | -148.6 | -160 | -20 | -150.7 | 165.8 | 13.7 | 0 | 0 | 109.8 | ||||
| 755 | Q | 29.1 | Very low | 30.1 | Very low | 171 Ų | 171 | 135 Ų | 135 | 80% | 0.799 | 74% | 0.738 | S | S | * | * | trans | -89.2 | 139.2 | -170.4 | -57.3 | 148 | -70.9 | 0 | 0 | 114.4 | ||||
| 756 | S | 29.4 | Very low | 30.1 | Very low | 113 Ų | 113 | 135.1 Ų | 135.1 | 79% | 0.79 | 74% | 0.739 | S | S | * | * | trans | -163.6 | 119.5 | 147.3 | 54 | 0 | 0 | 0 | 0 | 108 | ||||
| 757 | V | 27 | Very low | 30.1 | Very low | 120 Ų | 120 | 133.5 Ų | 133.5 | 73% | 0.727 | 73% | 0.731 | S | S | * | * | 77.2 | 100 | 55.6 | -179.7 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 758 | Q | 28.2 | Very low | 29.4 | Very low | 165 Ų | 165 | 134.1 Ų | 134.1 | 77% | 0.771 | 72% | 0.724 | S | S | * | * | trans | 78.7 | 129.3 | 145.8 | -79.5 | 179.8 | -26.6 | 0 | 0 | 123.9 | ||||
| 759 | L | 29.8 | Very low | 29.2 | Very low | 136 Ų | 136 | 137.3 Ų | 137.3 | 71% | 0.712 | 73% | 0.727 | S | S | * | * | 92.1 | 145.4 | 127 | -81.3 | 169.8 | 0 | 0 | 0 | 122.6 | |||||
| 760 | Q | 28.5 | Very low | 28.8 | Very low | 167 Ų | 167 | 137.9 Ų | 137.9 | 78% | 0.78 | 73% | 0.733 | S | S | * | * | trans | 71.8 | 148.5 | 156.2 | -75 | -175.7 | -102 | 0 | 0 | 119.6 | ||||
| 761 | V | 28.3 | Very low | 29.6 | Very low | 100 Ų | 100 | 136.1 Ų | 136.1 | 61% | 0.606 | 74% | 0.735 | S | S | * | * | cis | -165.8 | 171.3 | -23.9 | 75.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 762 | Q | 30 | Very low | 29.6 | Very low | 171 Ų | 171 | 134.8 Ų | 134.8 | 80% | 0.799 | 74% | 0.738 | S | S | * | * | trans | 65.9 | 142.3 | 168.5 | -73.6 | 155.8 | -17.9 | 0 | 0 | 116.2 | ||||
| 763 | A | 29.8 | Very low | 29.9 | Very low | 86 Ų | 86 | 140 Ų | 140 | 71% | 0.711 | 75% | 0.747 | S | S | * | * | cis | 96.4 | 143.9 | 15.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 764 | L | 28.2 | Very low | 30.8 | Very low | 157 Ų | 157 | 139.3 Ų | 139.3 | 82% | 0.822 | 75% | 0.751 | S | S | * | * | trans | 73.3 | 88 | 176.1 | -86.3 | 74.9 | 0 | 0 | 0 | 119.7 | ||||
| 765 | S | 26.3 | Very low | 30.8 | Very low | 90 Ų | 90 | 134.9 Ų | 134.9 | 63% | 0.629 | 75% | 0.748 | S | S | * | * | 56.1 | 134.5 | 108.8 | 71.3 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 766 | Q | 28.1 | Very low | 31 | Very low | 155 Ų | 155 | 134.9 Ų | 134.9 | 72% | 0.724 | 75% | 0.748 | S | S | * | * | trans | 92.8 | 130.2 | 134.8 | -95.2 | -161.5 | 103.5 | 0 | 0 | 121.9 | ||||
| 767 | Q | 28.9 | Very low | 31.1 | Very low | 142 Ų | 142 | 137.5 Ų | 137.5 | 66% | 0.664 | 75% | 0.748 | S | S | * | * | trans | 72.5 | 149 | 150.6 | -65.1 | -170.3 | 16.1 | 0 | 0 | 117.7 | ||||
| 768 | Q | 28.1 | Very low | 31.2 | Very low | 133 Ų | 133 | 135.2 Ų | 135.2 | 62% | 0.621 | 75% | 0.748 | S | S | * | * | cis | -155.7 | 172.9 | -1.5 | -132.3 | -174 | 83.5 | 0 | 0 | 113 | ||||
| 769 | Q | 26.8 | Very low | 31.2 | Very low | 173 Ų | 173 | 130.7 Ų | 130.7 | 81% | 0.808 | 75% | 0.746 | S | S | * | * | trans | 77.2 | 146.5 | 150.6 | -75.5 | 171.3 | 29.6 | 0 | 0 | 122.5 | ||||
| 770 | S | 33.6 | Very low | 31.2 | Very low | 112 Ų | 112 | 133.7 Ų | 133.7 | 78% | 0.783 | 76% | 0.759 | S | S | * | * | trans | -147 | 153.7 | 171.4 | 59.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 771 | P | 45.8 | Very low | 31.2 | Very low | 114 Ų | 114 | 129.1 Ų | 129.1 | 74% | 0.74 | 76% | 0.756 | S | S | * | * | trans | -130.2 | 162.1 | 159.7 | 39.2 | -27.1 | 0 | 0 | 0 | 111.8 | ||||
| 772 | T | 31.7 | Very low | 31.3 | Very low | 136 Ų | 136 | 134.6 Ų | 134.6 | 83% | 0.834 | 77% | 0.772 | S | S | * | * | cis | -159.5 | -179.9 | -15.6 | 18.1 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 773 | K | 34.5 | Very low | 31.3 | Very low | 188 Ų | 188 | 132 Ų | 132 | 82% | 0.817 | 77% | 0.773 | S | S | * | * | trans | -110.5 | 177.5 | 164.3 | -62 | -172.9 | 178.6 | -176.7 | 0 | 111 | ||||
| 774 | P | 45.5 | Very low | 32.6 | Very low | 138 Ų | 138 | 133.7 Ų | 133.7 | 90% | 0.896 | 78% | 0.776 | S | S | * | * | -133.4 | 158.4 | 87.2 | 35.7 | -24.6 | 0 | 0 | 0 | 115.6 | |||||
| 775 | G | 28.8 | Very low | 33.1 | Very low | 65 Ų | 65 | 131.5 Ų | 131.5 | 67% | 0.67 | 77% | 0.772 | S | S | * | * | cis | 176.1 | -11.7 | -4.5 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 776 | Q | 34.4 | Very low | 33.1 | Very low | 172 Ų | 172 | 136.3 Ų | 136.3 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | trans | -139.2 | 155.7 | -166.6 | -88.2 | -166.6 | 68.9 | 0 | 0 | 112.5 | ||||
| 777 | Q | 31.1 | Very low | 33.5 | Very low | 168 Ų | 168 | 137.6 Ų | 137.6 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | cis | -126.7 | -178.9 | -8.2 | -66.4 | -164.1 | -15.4 | 0 | 0 | 109 | ||||
| 778 | G | 28.8 | Very low | 33.8 | Very low | 71 Ų | 71 | 136.7 Ų | 136.7 | 73% | 0.732 | 80% | 0.796 | S | S | * | * | cis | 113.9 | 125.7 | -1.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 779 | G | 29.2 | Very low | 33.7 | Very low | 70 Ų | 70 | 133 Ų | 133 | 72% | 0.722 | 79% | 0.794 | S | S | * | * | cis | 174.7 | 172 | -12.2 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 780 | M | 28.8 | Very low | 33.8 | Very low | 200 Ų | 200 | 132.5 Ų | 132.5 | 99% | 0.985 | 80% | 0.796 | S | S | * | * | trans | 66.3 | 140.5 | 158.7 | -48.6 | -170.1 | -171.1 | 0 | 0 | 120.2 | ||||
| 781 | G | 29.5 | Very low | 33.6 | Very low | 71 Ų | 71 | 134.2 Ų | 134.2 | 73% | 0.732 | 79% | 0.792 | S | S | * | * | cis | 158.2 | 159.4 | -16.7 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 782 | K | 29.1 | Very low | 32.8 | Very low | 215 Ų | 215 | 136.4 Ų | 136.4 | 94% | 0.935 | 79% | 0.792 | S | S | * | * | trans | 78.6 | 167.2 | 160.6 | -58.9 | -174.4 | 178.3 | -178.7 | 0 | 119.1 | ||||
| 783 | S | 31.1 | Very low | 32.7 | Very low | 116 Ų | 116 | 137.3 Ų | 137.3 | 81% | 0.811 | 79% | 0.785 | S | S | * | * | trans | -132.5 | -161.5 | -152.4 | -46.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 784 | P | 57.3 | Low | 32.4 | Very low | 121 Ų | 121 | 134.8 Ų | 134.8 | 79% | 0.786 | 78% | 0.777 | S | S | * | * | -110.9 | 167.7 | -113.1 | 41.2 | -27.6 | 0 | 0 | 0 | 116.2 | |||||
| 785 | P | 38.3 | Very low | 31.6 | Very low | 112 Ų | 112 | 135.1 Ų | 135.1 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | trans | -148.1 | 146.4 | 144.6 | 33.7 | -15.1 | 0 | 0 | 0 | 118.1 | ||||
| 786 | H | 26.2 | Very low | 31.7 | Very low | 191 Ų | 191 | 137.1 Ų | 137.1 | 88% | 0.884 | 77% | 0.766 | S | S | * | * | trans | 51.6 | 154.9 | 140.1 | -67.9 | -79.9 | 0 | 0 | 0 | 126.3 | ||||
| 787 | H | 36 | Very low | 31.3 | Very low | 182 Ų | 182 | 136.3 Ų | 136.3 | 84% | 0.843 | 76% | 0.762 | S | S | * | * | trans | -69.5 | 158.3 | 173.1 | -92.5 | -76.2 | 0 | 0 | 0 | 114.6 | ||||
| 788 | P | 34.5 | Very low | 31.1 | Very low | 122 Ų | 122 | 134.4 Ų | 134.4 | 79% | 0.792 | 76% | 0.757 | S | S | * | * | -137.2 | -177.6 | 88.4 | 25.3 | -4.1 | 0 | 0 | 0 | 113.2 | |||||
| 789 | G | 27.3 | Very low | 30.9 | Very low | 57 Ų | 57 | 139.1 Ų | 139.1 | 59% | 0.588 | 76% | 0.76 | S | S | * | * | cis | 128 | 157.2 | 0.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 790 | L | 28.3 | Very low | 31.8 | Very low | 161 Ų | 161 | 140.9 Ų | 140.9 | 84% | 0.843 | 76% | 0.759 | S | S | * | * | trans | 83.9 | 136.9 | -175.3 | -51.2 | 160.3 | 0 | 0 | 0 | 114.7 | ||||
| 791 | Q | 29.7 | Very low | 31.7 | Very low | 149 Ų | 149 | 136.3 Ų | 136.3 | 70% | 0.696 | 75% | 0.753 | S | S | * | * | cis | -147.5 | 170.3 | -8.1 | -109 | 172.8 | 10 | 0 | 0 | 107.1 | ||||
| 792 | Q | 28.3 | Very low | 31.7 | Very low | 159 Ų | 159 | 137.1 Ų | 137.1 | 74% | 0.743 | 75% | 0.753 | S | S | * | * | cis | -162.8 | 135.2 | 37.9 | -158.1 | 174.1 | -0.4 | 0 | 0 | 111 | ||||
| 793 | F | 29.8 | Very low | 31.6 | Very low | 156 Ų | 156 | 134.2 Ų | 134.2 | 68% | 0.684 | 74% | 0.744 | S | S | * | * | trans | 39.5 | 137.4 | 145.4 | -68.5 | -120.8 | 0 | 0 | 0 | 120.2 | ||||
| 794 | M | 28 | Very low | 31.5 | Very low | 135 Ų | 135 | 139.5 Ų | 139.5 | 67% | 0.665 | 75% | 0.747 | S | S | * | * | cis | -168.2 | -179.5 | 2.6 | -108.8 | -169.5 | -30.9 | 0 | 0 | 107 | ||||
| 795 | Q | 29.5 | Very low | 30 | Very low | 145 Ų | 145 | 138.7 Ų | 138.7 | 68% | 0.678 | 74% | 0.744 | S | S | * | * | cis | -156.6 | 150.5 | 6 | -134.6 | 168.5 | -40 | 0 | 0 | 111.5 | ||||
| 796 | V | 31.1 | Very low | 29.5 | Very low | 107 Ų | 107 | 141.9 Ų | 141.9 | 65% | 0.648 | 75% | 0.749 | S | S | * | * | trans | 32.5 | 129.2 | 131.9 | 172.6 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 797 | Q | 25.7 | Very low | 29.5 | Very low | 155 Ų | 155 | 137.4 Ų | 137.4 | 72% | 0.724 | 74% | 0.739 | S | S | * | * | cis | -136.5 | -162.4 | 9.4 | -132.7 | 155.2 | -113.2 | 0 | 0 | 108.7 | ||||
| 798 | D | 25.8 | Very low | 29 | Very low | 128 Ų | 128 | 137.7 Ų | 137.7 | 68% | 0.684 | 74% | 0.741 | S | S | * | * | cis | -152.3 | -167.7 | 10.1 | -138.4 | -40.5 | 0 | 0 | 0 | 114.3 | ||||
| 799 | Q | 24.9 | Very low | 28.7 | Very low | 169 Ų | 169 | 136.4 Ų | 136.4 | 79% | 0.79 | 74% | 0.74 | S | S | * | * | trans | -148.4 | -175.3 | -168.9 | -98.1 | -164.2 | 66.8 | 0 | 0 | 112.2 | ||||
| 800 | P | 49 | Very low | 28.7 | Very low | 108 Ų | 108 | 137.9 Ų | 137.9 | 70% | 0.701 | 75% | 0.748 | S | S | * | * | cis | -138.1 | 175.9 | -47.7 | 39.1 | -23.8 | 0 | 0 | 0 | 113.2 | ||||
| 801 | A | 25.5 | Very low | 28.6 | Very low | 104 Ų | 104 | 137.4 Ų | 137.4 | 86% | 0.86 | 75% | 0.745 | S | S | * | * | trans | -168 | 157.2 | 145.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 802 | A | 30.5 | Very low | 28.5 | Very low | 88 Ų | 88 | 137.9 Ų | 137.9 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | trans | -120.5 | -168.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 803 | M | 27.6 | Very low | 28.4 | Very low | 153 Ų | 153 | 138.9 Ų | 138.9 | 75% | 0.754 | 75% | 0.749 | S | S | * | * | cis | -169.3 | 166.1 | 17.1 | -134 | -170.8 | -60.3 | 0 | 0 | 109.4 | ||||
| 804 | W | 27.4 | Very low | 28.2 | Very low | 228 Ų | 228 | 139.4 Ų | 139.4 | 86% | 0.864 | 76% | 0.758 | S | S | * | * | trans | 70.3 | 160 | 153.8 | -81.7 | 38 | 0 | 0 | 0 | 119.2 | ||||
| 805 | S | 26.1 | Very low | 28 | Very low | 104 Ų | 104 | 137.8 Ų | 137.8 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | cis | -159.5 | -166.8 | -9.6 | 53.5 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 806 | Q | 27.9 | Very low | 29 | Very low | 178 Ų | 178 | 135.7 Ų | 135.7 | 83% | 0.832 | 76% | 0.759 | S | S | * | * | trans | -80.8 | 143.5 | -162.1 | -83.4 | 172.1 | -61.7 | 0 | 0 | 119.6 | ||||
| 807 | S | 26.7 | Very low | 28.8 | Very low | 97 Ų | 97 | 137.8 Ų | 137.8 | 68% | 0.678 | 77% | 0.766 | S | S | * | * | trans | 25.9 | 147.9 | 131.6 | 73.9 | 0 | 0 | 0 | 0 | 126.1 | ||||
| 808 | Q | 26.3 | Very low | 28.8 | Very low | 188 Ų | 188 | 138.8 Ų | 138.8 | 88% | 0.879 | 77% | 0.77 | S | S | * | * | trans | 117.6 | 133.6 | 131.3 | -97.5 | -173 | 12.7 | 0 | 0 | 121.7 | ||||
| 809 | A | 28.2 | Very low | 28.8 | Very low | 95 Ų | 95 | 141.2 Ų | 141.2 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | trans | 101.8 | 137.9 | 139.4 | 0 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 810 | A | 27 | Very low | 28.8 | Very low | 89 Ų | 89 | 139.1 Ų | 139.1 | 74% | 0.736 | 78% | 0.784 | S | S | * | * | trans | 104.4 | 125.8 | 138 | 0 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 811 | L | 25.6 | Very low | 27.8 | Very low | 151 Ų | 151 | 141.5 Ų | 141.5 | 79% | 0.791 | 79% | 0.79 | S | S | * | * | trans | 53.9 | 125.7 | 159 | -77.7 | 79.2 | 0 | 0 | 0 | 119.8 | ||||
| 812 | Q | 27 | Very low | 27.8 | Very low | 158 Ų | 158 | 145 Ų | 145 | 74% | 0.738 | 79% | 0.785 | S | S | * | * | 80.2 | 108 | 52.9 | -74.4 | -166.2 | 13.1 | 0 | 0 | 116.2 | |||||
| 813 | K | 28 | Very low | 27.7 | Very low | 181 Ų | 181 | 148.6 Ų | 148.6 | 79% | 0.787 | 79% | 0.788 | S | S | * | * | 173 | 151 | 105.7 | -102.7 | 175.2 | -177 | 175.4 | 0 | 116 | |||||
| 814 | L | 25.7 | Very low | 27.6 | Very low | 166 Ų | 166 | 149.3 Ų | 149.3 | 87% | 0.869 | 79% | 0.789 | S | S | * | * | trans | 73.2 | 160.2 | 152.5 | -68.7 | 165.6 | 0 | 0 | 0 | 121.2 | ||||
| 815 | S | 23.2 | Very low | 27.4 | Very low | 101 Ų | 101 | 143.3 Ų | 143.3 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | trans | -157 | -166.7 | -172.8 | 63.9 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 816 | P | 49.2 | Very low | 27.7 | Very low | 101 Ų | 101 | 146.6 Ų | 146.6 | 66% | 0.656 | 77% | 0.774 | S | S | * | * | cis | -136.8 | -163.8 | -6.2 | 31 | -5.4 | 0 | 0 | 0 | 113.9 | ||||
| 817 | L | 26.8 | Very low | 27.6 | Very low | 151 Ų | 151 | 144.6 Ų | 144.6 | 79% | 0.791 | 77% | 0.765 | S | S | * | * | trans | 67.5 | 161.4 | 177 | -72.2 | 89.4 | 0 | 0 | 0 | 115.2 | ||||
| 818 | Q | 27.2 | Very low | 27.9 | Very low | 176 Ų | 176 | 147.1 Ų | 147.1 | 82% | 0.822 | 76% | 0.764 | S | S | * | * | cis | -141.9 | 171.9 | 6.3 | -157.5 | 161.2 | -8.2 | 0 | 0 | 112.2 | ||||
| 819 | M | 26 | Very low | 28 | Very low | 179 Ų | 179 | 146.1 Ų | 146.1 | 88% | 0.882 | 76% | 0.757 | S | S | * | * | trans | -77.4 | 156.3 | 176.2 | -56.7 | -174.1 | -71.6 | 0 | 0 | 113.8 | ||||
| 820 | S | 24.4 | Very low | 28.1 | Very low | 125 Ų | 125 | 149.8 Ų | 149.8 | 87% | 0.874 | 76% | 0.76 | S | S | * | * | -170.1 | 167.8 | 117.1 | -157.5 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 821 | L | 28.1 | Very low | 28 | Very low | 159 Ų | 159 | 149 Ų | 149 | 83% | 0.832 | 76% | 0.76 | S | S | * | * | trans | -128.5 | 129.5 | 179.6 | -168.6 | 92 | 0 | 0 | 0 | 110.1 | ||||
| 822 | K | 25.6 | Very low | 28 | Very low | 176 Ų | 176 | 146.2 Ų | 146.2 | 77% | 0.765 | 76% | 0.759 | S | S | * | * | trans | 173.8 | 144.3 | 159.1 | -101.8 | 167.6 | 178.6 | -171.2 | 0 | 108.3 | ||||
| 823 | Q | 27.3 | Very low | 28.8 | Very low | 165 Ų | 165 | 144.1 Ų | 144.1 | 77% | 0.771 | 76% | 0.759 | S | S | * | * | cis | 75.9 | 103.9 | 28.2 | -168.9 | -158.9 | 39.5 | 0 | 0 | 115.2 | ||||
| 824 | Q | 26.3 | Very low | 28.8 | Very low | 168 Ų | 168 | 142.5 Ų | 142.5 | 79% | 0.785 | 76% | 0.759 | S | S | * | * | trans | -165.6 | 142.4 | 144.7 | -96.2 | 170.7 | -96.6 | 0 | 0 | 106.1 | ||||
| 825 | Q | 23.5 | Very low | 28.9 | Very low | 102 Ų | 102 | 139.5 Ų | 139.5 | 48% | 0.477 | 75% | 0.752 | S | S | . | * | cis | 95.5 | 134.7 | 31.3 | -170.7 | 169.7 | 67.9 | 0 | 0 | 113 | L963 P964 | Q825-L963 HydrophobicContact CG-CD2 4.3Å; Q825-P964 VanDerWaalsContact NE2-CD 3.32Å | ||
| 826 | Q | 31.2 | Very low | 29.2 | Very low | 172 Ų | 172 | 141.4 Ų | 141.4 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | trans | -89.5 | -175.9 | -175.9 | -67.6 | 178.4 | -40.9 | 0 | 0 | 113.2 | ||||
| 827 | Q | 26.7 | Very low | 28.2 | Very low | 136 Ų | 136 | 145.3 Ų | 145.3 | 64% | 0.636 | 76% | 0.76 | S | S | * | * | trans | 88.4 | 143.7 | 164.5 | -64 | 179.8 | -9.5 | 0 | 0 | 116.3 | ||||
| 828 | F | 32 | Very low | 28.2 | Very low | 150 Ų | 150 | 144.5 Ų | 144.5 | 66% | 0.658 | 76% | 0.756 | S | S | * | * | cis | -162.9 | 165.9 | 5.6 | -127.3 | -36.9 | 0 | 0 | 0 | 114.1 | ||||
| 829 | F | 29.8 | Very low | 28.1 | Very low | 167 Ų | 167 | 145 Ų | 145 | 73% | 0.732 | 75% | 0.752 | S | S | * | * | trans | 65.1 | 161 | 161 | -82.1 | -80.1 | 0 | 0 | 0 | 118.3 | ||||
| 830 | M | 28.8 | Very low | 28 | Very low | 173 Ų | 173 | 142.2 Ų | 142.2 | 85% | 0.852 | 74% | 0.737 | S | S | * | * | cis | -151.6 | 158.7 | 13.1 | -139.4 | -51 | -149.4 | 0 | 0 | 112.3 | ||||
| 831 | G | 24.5 | Very low | 28 | Very low | 71 Ų | 71 | 143 Ų | 143 | 73% | 0.732 | 73% | 0.727 | S | S | * | * | trans | 150.7 | 121.3 | 156.7 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 832 | A | 26 | Very low | 27.8 | Very low | 94 Ų | 94 | 143.4 Ų | 143.4 | 78% | 0.777 | 72% | 0.724 | S | S | * | * | trans | -136.8 | 165.6 | 160.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 833 | P | 43.8 | Very low | 28.3 | Very low | 114 Ų | 114 | 142.8 Ų | 142.8 | 74% | 0.74 | 73% | 0.728 | S | S | * | * | -156.1 | 157.6 | 83.1 | 40.5 | -20.4 | 0 | 0 | 0 | 119 | |||||
| 834 | D | 28.5 | Very low | 28.5 | Very low | 147 Ų | 147 | 141 Ų | 141 | 79% | 0.786 | 73% | 0.731 | S | S | * | * | trans | 39.9 | 123.9 | 138.6 | -61.1 | -28.8 | 0 | 0 | 0 | 126.6 | ||||
| 835 | S | 28.7 | Very low | 28.7 | Very low | 102 Ų | 102 | 136.1 Ų | 136.1 | 71% | 0.713 | 73% | 0.726 | S | S | * | * | 84.2 | 120.2 | 125.7 | 75.3 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 836 | L | 29 | Very low | 29.5 | Very low | 142 Ų | 142 | 137.6 Ų | 137.6 | 74% | 0.743 | 74% | 0.744 | S | S | * | * | 169.2 | 127.9 | 105.1 | -90.9 | 165.3 | 0 | 0 | 0 | 113.4 | |||||
| 837 | K | 28.7 | Very low | 29.6 | Very low | 183 Ų | 183 | 138 Ų | 138 | 80% | 0.796 | 75% | 0.746 | S | S | * | * | trans | 65.1 | 154.5 | 150.6 | -67.8 | -179.4 | 178.5 | 179 | 0 | 119.7 | ||||
| 838 | L | 25.1 | Very low | 31.3 | Very low | 133 Ų | 133 | 136.6 Ų | 136.6 | 70% | 0.696 | 75% | 0.749 | S | S | * | * | cis | -171.2 | 129.9 | -32.9 | -145.8 | 168.6 | 0 | 0 | 0 | 107.5 | ||||
| 839 | Y | 26.1 | Very low | 31 | Very low | 188 Ų | 188 | 138 Ų | 138 | 74% | 0.737 | 76% | 0.757 | S | S | * | * | trans | 64.3 | 164.3 | 164.1 | -95.6 | -144 | 0 | 0 | 0 | 117.5 | ||||
| 840 | E | 24.3 | Very low | 31.3 | Very low | 120 Ų | 120 | 136.4 Ų | 136.4 | 56% | 0.561 | 76% | 0.755 | S | S | * | * | cis | -164.1 | 127.7 | -24.1 | 172.2 | 171.1 | -119.7 | 0 | 0 | 111 | ||||
| 841 | Q | 24.2 | Very low | 31.4 | Very low | 142 Ų | 142 | 133.8 Ų | 133.8 | 66% | 0.664 | 75% | 0.754 | S | S | * | * | trans | 53.3 | 141.4 | 137 | -152.7 | 177.6 | 104.6 | 0 | 0 | 124.8 | ||||
| 842 | Q | 24.2 | Very low | 31.8 | Very low | 167 Ų | 167 | 136.7 Ų | 136.7 | 78% | 0.78 | 75% | 0.752 | S | S | * | * | trans | 75.3 | 152 | 151.3 | -88.8 | 161.3 | 19.1 | 0 | 0 | 123 | ||||
| 843 | L | 35.6 | Very low | 32.2 | Very low | 163 Ų | 163 | 138.9 Ų | 138.9 | 85% | 0.853 | 75% | 0.748 | S | S | * | * | trans | -91.6 | 157.5 | 179.5 | -55.2 | 94 | 0 | 0 | 0 | 111.3 | ||||
| 844 | P | 31.5 | Very low | 31.7 | Very low | 127 Ų | 127 | 138.7 Ų | 138.7 | 83% | 0.825 | 74% | 0.741 | S | S | * | * | -149.8 | 177.8 | 93.1 | 38.9 | -21.3 | 0 | 0 | 0 | 115.9 | |||||
| 845 | G | 29.8 | Very low | 32 | Very low | 66 Ų | 66 | 139.1 Ų | 139.1 | 68% | 0.68 | 74% | 0.736 | S | S | * | * | trans | -89.6 | -166.9 | 162.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 846 | P | 42.1 | Very low | 31.9 | Very low | 133 Ų | 133 | 143 Ų | 143 | 86% | 0.864 | 74% | 0.739 | S | S | * | * | cis | -137.1 | -151.4 | 18.7 | 41.9 | -20.4 | 0 | 0 | 0 | 115.5 | ||||
| 847 | Q | 31.8 | Very low | 31.9 | Very low | 180 Ų | 180 | 143.8 Ų | 143.8 | 84% | 0.841 | 74% | 0.741 | S | S | * | * | trans | -94.2 | -159.5 | -177.8 | -36.4 | 174.2 | -46.1 | 0 | 0 | 113.6 | ||||
| 848 | P | 62.3 | Low | 31.7 | Very low | 106 Ų | 106 | 143.4 Ų | 143.4 | 69% | 0.688 | 74% | 0.74 | S | S | * | * | cis | -132 | -175.8 | -35.9 | 31.3 | -11 | 0 | 0 | 0 | 113.7 | ||||
| 849 | H | 26.8 | Very low | 32.1 | Very low | 179 Ų | 179 | 144.1 Ų | 144.1 | 83% | 0.829 | 74% | 0.738 | S | S | * | * | trans | -157.8 | 178.6 | 158.2 | -132.8 | -100.8 | 0 | 0 | 0 | 117.3 | ||||
| 850 | I | 35.5 | Very low | 33 | Very low | 135 Ų | 135 | 140.9 Ų | 140.9 | 69% | 0.692 | 74% | 0.74 | S | S | * | * | trans | -138.7 | 151.8 | -146.8 | -64.7 | 150.3 | 0 | 0 | 0 | 115.5 | ||||
| 851 | S | 30.6 | Very low | 33.2 | Very low | 118 Ų | 118 | 141 Ų | 141 | 83% | 0.825 | 74% | 0.744 | S | S | * | * | trans | 161.3 | 173.9 | 136.3 | 51.6 | 0 | 0 | 0 | 0 | 116 | ||||
| 852 | N | 33.9 | Very low | 33.4 | Very low | 131 Ų | 131 | 139.3 Ų | 139.3 | 70% | 0.701 | 74% | 0.743 | S | S | * | * | -163.6 | 164.6 | -65.8 | -150.8 | -8.6 | 0 | 0 | 0 | 113.9 | |||||
| 853 | M | 33.3 | Very low | 33.5 | Very low | 140 Ų | 140 | 139.4 Ų | 139.4 | 69% | 0.69 | 74% | 0.741 | S | S | * | * | trans | 86.3 | 137.4 | 154.7 | -68.3 | -67.8 | 104.5 | 0 | 0 | 126.7 | ||||
| 854 | D | 34.1 | Very low | 33.1 | Very low | 110 Ų | 110 | 137.6 Ų | 137.6 | 59% | 0.588 | 73% | 0.73 | S | S | * | * | trans | 94.5 | 89 | 136.8 | -95.6 | -57.5 | 0 | 0 | 0 | 128.3 | ||||
| 855 | K | 33.5 | Very low | 32.7 | Very low | 157 Ų | 157 | 138.5 Ų | 138.5 | 68% | 0.683 | 72% | 0.723 | S | S | * | * | 50 | 120.2 | 128.5 | -62.6 | -179.2 | -159.9 | 86.6 | 0 | 124.1 | |||||
| 856 | K | 27.5 | Very low | 32.5 | Very low | 182 Ų | 182 | 141.4 Ų | 141.4 | 79% | 0.791 | 72% | 0.723 | S | S | * | * | trans | 78 | 161.4 | 152.9 | -59.2 | 166.4 | -178 | 175 | 0 | 116.5 | ||||
| 857 | M | 28.8 | Very low | 31.7 | Very low | 159 Ų | 159 | 142.8 Ų | 142.8 | 78% | 0.783 | 72% | 0.715 | S | S | * | * | cis | -168.3 | 174.9 | -20.5 | -102.7 | 178.7 | 175.9 | 0 | 0 | 107.4 | ||||
| 858 | K | 24.2 | Very low | 31.3 | Very low | 176 Ų | 176 | 143.1 Ų | 143.1 | 77% | 0.765 | 71% | 0.71 | S | S | * | * | cis | -154.7 | -168.3 | 8.5 | -140.2 | -157.4 | 176.9 | -170.8 | 0 | 111.8 | ||||
| 859 | F | 33.6 | Very low | 29.5 | Very low | 148 Ų | 148 | 146.6 Ų | 146.6 | 65% | 0.649 | 71% | 0.71 | S | S | * | * | trans | -60.7 | 161.6 | 172 | -75.6 | -81.7 | 0 | 0 | 0 | 116.1 | D861 V862 | F859-D861 VanDerWaalsContact CD1-OD1 3.29Å; F859-D861 WeakPolarHBondContact CD1-OD1 3.47Å; F859-V862 HydrophobicContact CE1-CG2 4.44Å | ||
| 860 | P | 45.6 | Very low | 29.3 | Very low | 120 Ų | 120 | 145.9 Ų | 145.9 | 78% | 0.779 | 71% | 0.707 | S | S | * | * | cis | -110.6 | 171.8 | 15.1 | 42.2 | -34.8 | 0 | 0 | 0 | 114.1 | ||||
| 861 | D | 27.8 | Very low | 29.2 | Very low | 123 Ų | 123 | 144.4 Ų | 144.4 | 66% | 0.658 | 71% | 0.706 | S | S | * | * | cis | -173.5 | 169.5 | -13.6 | -110.8 | 49.4 | 0 | 0 | 0 | 105.7 | F859 | F859-D861 VanDerWaalsContact CD1-OD1 3.29Å; F859-D861 WeakPolarHBondContact CD1-OD1 3.47Å | ||
| 862 | V | 29 | Very low | 29 | Very low | 106 Ų | 106 | 143.2 Ų | 143.2 | 64% | 0.642 | 70% | 0.698 | S | S | * | * | cis | -172.2 | 151.5 | -24.6 | 110.7 | 0 | 0 | 0 | 0 | 104.8 | F859 | F859-V862 HydrophobicContact CE1-CG2 4.44Š| ||
| 863 | K | 26.8 | Very low | 28.5 | Very low | 168 Ų | 168 | 147.5 Ų | 147.5 | 73% | 0.73 | 71% | 0.706 | S | S | * | * | cis | -153 | 159.5 | 17.2 | -135.6 | -171.7 | 178.9 | -172.1 | 0 | 111.6 | ||||
| 864 | M | 26 | Very low | 28 | Very low | 125 Ų | 125 | 151.1 Ų | 151.1 | 62% | 0.616 | 71% | 0.711 | S | S | * | * | trans | 16.4 | 143.9 | 138.3 | -65.4 | 173 | 161.9 | 0 | 0 | 121.6 | ||||
| 865 | Q | 24.5 | Very low | 27.5 | Very low | 146 Ų | 146 | 153.6 Ų | 153.6 | 68% | 0.682 | 72% | 0.722 | S | S | * | * | cis | -160.6 | 129.9 | 0.5 | -114.6 | 157.1 | -22 | 0 | 0 | 106.9 | ||||
| 866 | D | 23.9 | Very low | 27 | Very low | 127 Ų | 127 | 152.4 Ų | 152.4 | 68% | 0.679 | 72% | 0.722 | S | S | * | * | 93.8 | 138.6 | 62.2 | -66.3 | -19.4 | 0 | 0 | 0 | 114.3 | |||||
| 867 | F | 25.7 | Very low | 26.9 | Very low | 162 Ų | 162 | 153.7 Ų | 153.7 | 71% | 0.711 | 72% | 0.723 | S | S | * | * | cis | -175 | 135.3 | -32.5 | -134 | -95.2 | 0 | 0 | 0 | 109.3 | ||||
| 868 | Y | 24.6 | Very low | 26.7 | Very low | 188 Ų | 188 | 154.8 Ų | 154.8 | 74% | 0.737 | 73% | 0.728 | S | S | * | * | trans | 56 | 170.4 | 149.7 | -85.1 | -137.5 | 0 | 0 | 0 | 121.5 | ||||
| 869 | W | 24.8 | Very low | 26.9 | Very low | 179 Ų | 179 | 149.4 Ų | 149.4 | 68% | 0.678 | 72% | 0.723 | S | S | * | * | cis | -174.6 | 135.2 | -46.7 | -118.5 | 135.6 | 0 | 0 | 0 | 109.4 | ||||
| 870 | E | 22.3 | Very low | 26.6 | Very low | 164 Ų | 164 | 152.1 Ų | 152.1 | 77% | 0.766 | 74% | 0.737 | S | S | * | * | trans | 44.7 | 174.3 | 149.6 | -93 | -168.8 | 178.7 | 0 | 0 | 124.1 | ||||
| 871 | P | 32.5 | Very low | 25.7 | Very low | 104 Ų | 104 | 149.6 Ų | 149.6 | 68% | 0.675 | 73% | 0.733 | S | S | * | * | trans | -116 | -176.9 | -156 | 37.9 | -18.2 | 0 | 0 | 0 | 114.4 | ||||
| 872 | S | 26.2 | Very low | 25.7 | Very low | 92 Ų | 92 | 152.5 Ų | 152.5 | 64% | 0.643 | 75% | 0.747 | S | S | * | * | 173.5 | 157.5 | 82.9 | -59 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 873 | Y | 23.8 | Very low | 25.8 | Very low | 222 Ų | 222 | 150.8 Ų | 150.8 | 87% | 0.871 | 75% | 0.745 | S | S | * | * | trans | 80.8 | 131.3 | 145.3 | -83.3 | -60.3 | 0 | 0 | 0 | 125.8 | ||||
| 874 | R | 23.7 | Very low | 25.9 | Very low | 215 Ų | 215 | 149.7 Ų | 149.7 | 81% | 0.811 | 75% | 0.746 | S | S | * | * | trans | 86.1 | 117.3 | 148.4 | -76.4 | -170.2 | -175.2 | -105.4 | 3 | 122.7 | ||||
| 875 | M | 22.9 | Very low | 25.9 | Very low | 163 Ų | 163 | 152.1 Ų | 152.1 | 80% | 0.803 | 76% | 0.758 | S | S | * | * | trans | 65.2 | 152.9 | 149.2 | -77.5 | 172.7 | 153.4 | 0 | 0 | 117.9 | ||||
| 876 | D | 23.7 | Very low | 26.2 | Very low | 131 Ų | 131 | 149.1 Ų | 149.1 | 70% | 0.701 | 76% | 0.758 | S | S | * | * | cis | -138.4 | -164.6 | 16.4 | -157.1 | 1.3 | 0 | 0 | 0 | 113.8 | ||||
| 877 | R | 24.4 | Very low | 26.4 | Very low | 210 Ų | 210 | 149.8 Ų | 149.8 | 79% | 0.792 | 76% | 0.757 | S | S | * | * | trans | -52.7 | 164.6 | -172.7 | -68.3 | 163 | 176.2 | -151.1 | -0.9 | 120.2 | ||||
| 878 | M | 25.1 | Very low | 26.5 | Very low | 181 Ų | 181 | 151.9 Ų | 151.9 | 89% | 0.892 | 76% | 0.76 | S | S | * | * | trans | 91.2 | 151.9 | 139.9 | -96.3 | 162.7 | 157.9 | 0 | 0 | 120.5 | ||||
| 879 | G | 27.8 | Very low | 26.6 | Very low | 64 Ų | 64 | 150.9 Ų | 150.9 | 66% | 0.66 | 76% | 0.764 | S | S | * | * | trans | 93.7 | 127 | -167.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 880 | E | 27.7 | Very low | 26.7 | Very low | 205 Ų | 205 | 152.2 Ų | 152.2 | 96% | 0.958 | 78% | 0.775 | S | S | * | * | cis | 51.7 | 122.2 | 43.6 | -53.8 | -172.4 | 150.1 | 0 | 0 | 112 | ||||
| 881 | G | 27 | Very low | 26.9 | Very low | 66 Ų | 66 | 156.2 Ų | 156.2 | 68% | 0.68 | 78% | 0.783 | S | S | * | * | cis | 138.6 | 145.7 | 3.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 882 | L | 27.7 | Very low | 26.8 | Very low | 184 Ų | 184 | 155.6 Ų | 155.6 | 96% | 0.963 | 79% | 0.787 | S | S | * | * | trans | 62.8 | 155.7 | -178.4 | -70.6 | 149.4 | 0 | 0 | 0 | 113.6 | ||||
| 883 | A | 29.8 | Very low | 28.2 | Very low | 71 Ų | 71 | 156.8 Ų | 156.8 | 59% | 0.587 | 79% | 0.793 | S | S | * | * | cis | -157 | 171.3 | 7.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 884 | L | 29.8 | Very low | 29.6 | Very low | 144 Ų | 144 | 152 Ų | 152 | 75% | 0.754 | 79% | 0.788 | S | S | * | * | trans | 41.5 | 114.2 | 137.4 | -61.5 | 170 | 0 | 0 | 0 | 119.3 | ||||
| 885 | M | 26.4 | Very low | 29.8 | Very low | 176 Ų | 176 | 146.9 Ų | 146.9 | 87% | 0.867 | 79% | 0.792 | S | S | * | * | 95.4 | 156.2 | 63.7 | -92.4 | -162.6 | -177.6 | 0 | 0 | 115.1 | |||||
| 886 | A | 29.9 | Very low | 30.1 | Very low | 84 Ų | 84 | 142.7 Ų | 142.7 | 69% | 0.694 | 79% | 0.79 | S | S | * | * | trans | 86 | 111 | 150.2 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 887 | E | 29.1 | Very low | 30 | Very low | 141 Ų | 141 | 145.5 Ų | 145.5 | 66% | 0.659 | 80% | 0.802 | S | S | * | * | 66.9 | 158.4 | 128.9 | -64.8 | -150.2 | 126.9 | 0 | 0 | 120.4 | |||||
| 888 | R | 28.3 | Very low | 30.1 | Very low | 205 Ų | 205 | 141.7 Ų | 141.7 | 77% | 0.774 | 81% | 0.806 | S | S | * | * | cis | -148.5 | 169.6 | -0.8 | -135.4 | 165 | -177.1 | 143.7 | -1.1 | 112.8 | ||||
| 889 | M | 25.9 | Very low | 30.3 | Very low | 167 Ų | 167 | 138.1 Ų | 138.1 | 82% | 0.823 | 81% | 0.805 | S | S | * | * | trans | -67.6 | 151.6 | 177.8 | -46.3 | 159.9 | -177.9 | 0 | 0 | 114.7 | ||||
| 890 | K | 26.3 | Very low | 30.5 | Very low | 208 Ų | 208 | 143.3 Ų | 143.3 | 90% | 0.904 | 81% | 0.812 | S | S | * | * | -179.9 | 169.8 | 111.7 | -98.6 | 168.2 | -177.9 | 175.5 | 0 | 116.1 | |||||
| 891 | R | 26.3 | Very low | 31.3 | Very low | 247 Ų | 247 | 138.6 Ų | 138.6 | 93% | 0.932 | 80% | 0.799 | S | S | * | * | trans | -80.7 | 162.9 | -164.2 | -75.7 | 174.6 | 160.1 | 137.5 | -4.6 | 117.2 | ||||
| 892 | A | 30.3 | Very low | 31.1 | Very low | 91 Ų | 91 | 144.4 Ų | 144.4 | 75% | 0.752 | 81% | 0.809 | S | S | * | * | trans | -81.5 | -149.7 | 159.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 893 | P | 57.3 | Low | 31.1 | Very low | 118 Ų | 118 | 138.8 Ų | 138.8 | 77% | 0.766 | 80% | 0.796 | S | S | * | * | cis | -126.1 | -135 | -7.8 | 39.9 | -16.6 | 0 | 0 | 0 | 110.3 | ||||
| 894 | P | 53.3 | Low | 31.6 | Very low | 121 Ų | 121 | 141 Ų | 141 | 79% | 0.786 | 80% | 0.804 | S | S | * | * | cis | -133.8 | -179 | -24.8 | 39.7 | -21.4 | 0 | 0 | 0 | 116.3 | ||||
| 895 | A | 26.8 | Very low | 31.5 | Very low | 108 Ų | 108 | 140.9 Ų | 140.9 | 89% | 0.893 | 81% | 0.809 | S | S | * | * | trans | -160.2 | 163.4 | 163 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 896 | G | 29 | Very low | 31.5 | Very low | 74 Ų | 74 | 135.9 Ų | 135.9 | 76% | 0.763 | 80% | 0.803 | S | S | * | * | cis | 178.2 | -11 | -9 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 897 | M | 22.5 | Very low | 31.7 | Very low | 190 Ų | 190 | 138.6 Ų | 138.6 | 94% | 0.936 | 81% | 0.813 | S | S | * | * | trans | -139.2 | 154.4 | -174 | -76.1 | -173.3 | 82.2 | 0 | 0 | 116.6 | ||||
| 898 | C | 26.5 | Very low | 31.6 | Very low | 131 Ų | 131 | 143.8 Ų | 143.8 | 89% | 0.885 | 83% | 0.827 | S | S | * | * | trans | -149.4 | 157.1 | -169.8 | -56.3 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 899 | A | 29 | Very low | 31.6 | Very low | 105 Ų | 105 | 137.6 Ų | 137.6 | 87% | 0.868 | 83% | 0.826 | S | S | * | * | trans | -166.5 | 159.6 | 151.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 900 | E | 31.7 | Very low | 31.7 | Very low | 174 Ų | 174 | 135.9 Ų | 135.9 | 81% | 0.813 | 83% | 0.828 | S | S | * | * | trans | -103.8 | -177.5 | -179.2 | -97 | -91.8 | 132.3 | 0 | 0 | 110.7 | ||||
| 901 | P | 44 | Very low | 31.6 | Very low | 105 Ų | 105 | 130.6 Ų | 130.6 | 68% | 0.682 | 82% | 0.823 | S | S | * | * | cis | -151.5 | -175.6 | 28.8 | 42.5 | -18.9 | 0 | 0 | 0 | 121.3 | ||||
| 902 | E | 24.1 | Very low | 31.4 | Very low | 188 Ų | 188 | 128.4 Ų | 128.4 | 88% | 0.879 | 82% | 0.82 | S | S | * | * | trans | 98.4 | 149.2 | 152.5 | -67 | -163.2 | 139.7 | 0 | 0 | 123 | ||||
| 903 | G | 26.5 | Very low | 31.1 | Very low | 67 Ų | 67 | 132.7 Ų | 132.7 | 69% | 0.691 | 83% | 0.825 | S | S | * | * | trans | -132.2 | -158.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 904 | P | 40.9 | Very low | 29.4 | Very low | 117 Ų | 117 | 134.1 Ų | 134.1 | 76% | 0.76 | 83% | 0.826 | S | S | * | * | cis | -152.7 | -161.9 | 35.8 | 42.3 | -18.9 | 0 | 0 | 0 | 117.6 | ||||
| 905 | T | 27.4 | Very low | 27.9 | Very low | 142 Ų | 142 | 138.3 Ų | 138.3 | 87% | 0.871 | 83% | 0.832 | S | S | * | * | trans | 80.9 | 143.7 | 157.8 | 54.8 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 906 | G | 25.7 | Very low | 27.7 | Very low | 71 Ų | 71 | 138.2 Ų | 138.2 | 73% | 0.732 | 83% | 0.825 | S | S | * | * | trans | -124.1 | -153.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 907 | P | 35.6 | Very low | 27.3 | Very low | 140 Ų | 140 | 140.2 Ų | 140.2 | 91% | 0.909 | 83% | 0.827 | S | S | * | * | cis | -140.3 | -157.4 | 37.6 | 40.7 | -19.5 | 0 | 0 | 0 | 116.1 | ||||
| 908 | R | 25.9 | Very low | 27.7 | Very low | 251 Ų | 251 | 136.2 Ų | 136.2 | 95% | 0.947 | 82% | 0.815 | S | S | * | * | trans | -136.3 | 158.3 | -169.8 | -81.7 | -179.5 | 168.6 | 175.6 | -4 | 115.7 | ||||
| 909 | G | 28.9 | Very low | 27.5 | Very low | 74 Ų | 74 | 140.1 Ų | 140.1 | 76% | 0.763 | 82% | 0.818 | S | S | * | * | trans | 91.4 | 166.7 | 146.4 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 910 | P | 28.5 | Very low | 27.4 | Very low | 132 Ų | 132 | 143 Ų | 143 | 86% | 0.857 | 82% | 0.818 | S | S | * | * | cis | -114.1 | -167.6 | 4 | 42 | -29.9 | 0 | 0 | 0 | 113.5 | ||||
| 911 | A | 23.1 | Very low | 27.1 | Very low | 97 Ų | 97 | 139.9 Ų | 139.9 | 80% | 0.802 | 81% | 0.812 | S | S | * | * | cis | -163.1 | -128.2 | -36.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 912 | F | 23.4 | Very low | 26.4 | Very low | 200 Ų | 200 | 139.6 Ų | 139.6 | 88% | 0.877 | 81% | 0.81 | S | S | * | * | trans | -102.8 | 179.8 | -177.3 | -85.9 | -107.9 | 0 | 0 | 0 | 111.6 | ||||
| 913 | E | 22.3 | Very low | 26.6 | Very low | 182 Ų | 182 | 134.7 Ų | 134.7 | 85% | 0.85 | 79% | 0.79 | S | S | * | * | cis | -159.2 | -176.6 | 30.3 | -156.2 | 167.9 | -139.2 | 0 | 0 | 113.6 | ||||
| 914 | D | 22.6 | Very low | 26.8 | Very low | 147 Ų | 147 | 139.2 Ų | 139.2 | 79% | 0.786 | 80% | 0.798 | S | S | * | * | trans | -73.7 | 160.2 | -167.2 | -92.8 | -59.9 | 0 | 0 | 0 | 119.2 | ||||
| 915 | K | 21.8 | Very low | 26.2 | Very low | 209 Ų | 209 | 138.8 Ų | 138.8 | 91% | 0.909 | 79% | 0.788 | S | S | * | * | trans | -142.4 | 137.3 | 148.4 | -77.3 | -165 | 176.9 | -176.8 | 0 | 110.7 | ||||
| 916 | S | 22 | Very low | 26.2 | Very low | 106 Ų | 106 | 137.5 Ų | 137.5 | 74% | 0.741 | 77% | 0.771 | S | S | * | * | trans | -110.5 | 144.6 | -163.6 | 51.7 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 917 | S | 21.8 | Very low | 26.5 | Very low | 116 Ų | 116 | 138.7 Ų | 138.7 | 81% | 0.811 | 76% | 0.764 | S | S | * | * | trans | 68.8 | 161.4 | 152 | -59.9 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 918 | P | 30.7 | Very low | 26.3 | Very low | 106 Ų | 106 | 138 Ų | 138 | 69% | 0.688 | 75% | 0.752 | S | S | * | * | cis | -123.5 | 151.3 | -20.7 | 36.2 | -22.9 | 0 | 0 | 0 | 113.1 | ||||
| 919 | F | 22 | Very low | 26.4 | Very low | 214 Ų | 214 | 127.5 Ų | 127.5 | 94% | 0.939 | 72% | 0.719 | S | S | * | * | trans | -165.8 | 148.4 | 146.6 | -95.5 | -59.7 | 0 | 0 | 0 | 111.6 | ||||
| 920 | L | 26 | Very low | 26.4 | Very low | 166 Ų | 166 | 128.8 Ų | 128.8 | 87% | 0.869 | 71% | 0.708 | S | S | * | * | trans | -94.8 | 129.7 | 177.1 | -68.5 | 164.2 | 0 | 0 | 0 | 110.5 | ||||
| 921 | P | 25.9 | Very low | 26.6 | Very low | 107 Ų | 107 | 127.7 Ų | 127.7 | 70% | 0.695 | 70% | 0.695 | S | S | * | * | trans | -80.4 | 138.3 | 171.8 | 31.5 | -32.5 | 0 | 0 | 0 | 111.7 | D923 | P921-D923 PolarHBondContact O-N 2.84Š| ||
| 922 | P | 28.9 | Very low | 27.2 | Very low | 99 Ų | 99 | 128 Ų | 128 | 64% | 0.643 | 68% | 0.679 | S | S | * | * | trans | -97.4 | 27.8 | -167.3 | 39.5 | -38.8 | 0 | 0 | 0 | 115.8 | L924 | P922-L924 PolarHBondContact O-N 3.27Š| ||
| 923 | D | 29.6 | Very low | 27.6 | Very low | 86 Ų | 86 | 125.3 Ų | 125.3 | 46% | 0.46 | 67% | 0.67 | S | S | . | * | G | 310 helix | trans | -81.5 | -6.4 | -166.7 | -78.5 | -72 | 0 | 0 | 0 | 116.5 | P921 L925 K926 | P921-D923 PolarHBondContact O-N 2.84Å; D923-L925 PolarHBondContact O-N 2.63Å; D923-K926 WeakPolarHBondContact O-CB 3.5Å; D923-K926 PolarHBondContact O-N 3.26Å; D923-K926 VanDerWaalsContact O-N 3.1Å; D923-K926 IonicContact OD1-NZ 3.98Å; D923-K926 PolarHBondContact OD1-NZ 3.17Å |
| 924 | L | 29.8 | Very low | 27.9 | Very low | 162 Ų | 162 | 121.8 Ų | 121.8 | 85% | 0.848 | 66% | 0.657 | S | S | * | * | G | 310 helix | trans | -69.4 | -1 | 178.5 | -108.8 | 167.6 | 0 | 0 | 0 | 115 | P922 | P922-L924 PolarHBondContact O-N 3.27Š|
| 925 | L | 28.6 | Very low | 28.4 | Very low | 107 Ų | 107 | 120.4 Ų | 120.4 | 56% | 0.56 | 65% | 0.646 | S | S | * | * | G | 310 helix | trans | -105.4 | 11.4 | 173.8 | -76.7 | 165.4 | 0 | 0 | 0 | 113.2 | D923 | D923-L925 PolarHBondContact O-N 2.63Š|
| 926 | K | 28.3 | Very low | 28.6 | Very low | 115 Ų | 115 | 117 Ų | 117 | 50% | 0.5 | 63% | 0.633 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -92.2 | -40.3 | -178.9 | -144.4 | -179.7 | -142.6 | 151.6 | 0 | 112.6 | D923 L928 A929 D930 | D923-K926 WeakPolarHBondContact O-CB 3.5Å; D923-K926 PolarHBondContact O-N 3.26Å; D923-K926 VanDerWaalsContact O-N 3.1Å; D923-K926 IonicContact OD1-NZ 3.98Å; D923-K926 PolarHBondContact OD1-NZ 3.17Å; K926-L928 PolarHBondContact O-N 3.06Å; K926-A929 WeakPolarHBondContact O-CB 3.47Å; K926-A929 PolarHBondContact O-N 2.88Å; K926-D930 PolarHBondContact O-N 2.96Å |
| 927 | T | 31.3 | Very low | 29 | Very low | 97 Ų | 97 | 118.4 Ų | 118.4 | 60% | 0.595 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.9 | -9.3 | -178 | -24.1 | 0 | 0 | 0 | 0 | 115 | ||
| 928 | L | 30.8 | Very low | 29.1 | Very low | 126 Ų | 126 | 120.3 Ų | 120.3 | 66% | 0.66 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.4 | -24.6 | 170 | -74.7 | 169.5 | 0 | 0 | 0 | 113.1 | K926 | K926-L928 PolarHBondContact O-N 3.06Š|
| 929 | A | 28.7 | Very low | 28.7 | Very low | 29 Ų | 29 | 124.1 Ų | 124.1 | 24% | 0.24 | 64% | 0.637 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -75.4 | -47.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | K926 L931 E932 E933 | K926-A929 WeakPolarHBondContact O-CB 3.47Å; K926-A929 PolarHBondContact O-N 2.88Å; A929-L931 PolarHBondContact O-N 2.89Å; A929-E932 PolarHBondContact O-N 2.85Å; A929-E933 WeakPolarHBondContact O-CG 3.36Å; A929-E933 PolarHBondContact O-N 2.97Å |
| 930 | D | 27.8 | Very low | 28.9 | Very low | 101 Ų | 101 | 117.8 Ų | 117.8 | 54% | 0.54 | 62% | 0.624 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -62.6 | -2.3 | -177.3 | -54.3 | -14.1 | 0 | 0 | 0 | 114.7 | K926 | K926-D930 PolarHBondContact O-N 2.96Š|
| 931 | L | 32.8 | Very low | 28.8 | Very low | 110 Ų | 110 | 119.2 Ų | 119.2 | 58% | 0.576 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117 | -13.1 | 173.3 | -79.3 | 170.9 | 0 | 0 | 0 | 114.2 | A929 | A929-L931 PolarHBondContact O-N 2.89Š|
| 932 | E | 35.8 | Very low | 28.8 | Very low | 103 Ų | 103 | 119.1 Ų | 119.1 | 48% | 0.481 | 62% | 0.623 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -99.9 | -30.2 | 172.6 | -71.5 | -168.8 | 105.9 | 0 | 0 | 112.5 | K76 A929 D934 E935 | K76-E932 VanDerWaalsContact CE-OE2 3.27Å; K76-E932 WeakPolarHBondContact CE-OE2 3.37Å; K76-E932 IonicContact NZ-OE1 2.8Å; K76-E932 PolarHBondContact NZ-OE1 3Å; K76-E932 IonicContact NZ-OE2 2.78Å; K76-E932 PolarHBondContact NZ-OE2 3.04Å; A929-E932 PolarHBondContact O-N 2.85Å; E932-D934 PolarHBondContact O-N 3.34Å; E932-E935 PolarHBondContact O-N 2.76Å |
| 933 | E | 31.9 | Very low | 28.6 | Very low | 143 Ų | 143 | 119.8 Ų | 119.8 | 67% | 0.668 | 63% | 0.627 | S | S | * | * | G | 310 helix | trans | -65.1 | -20.8 | 178.3 | -70.6 | -177.2 | -175.1 | 0 | 0 | 112.5 | A929 | A929-E933 WeakPolarHBondContact O-CG 3.36Å; A929-E933 PolarHBondContact O-N 2.97Å |
| 934 | D | 28 | Very low | 28.5 | Very low | 109 Ų | 109 | 123.3 Ų | 123.3 | 58% | 0.583 | 65% | 0.646 | S | S | * | * | G | 310 helix | trans | -94.5 | 8.2 | -177.7 | -150.1 | 40.9 | 0 | 0 | 0 | 113.7 | K227 E932 | K227-D934 WeakPolarHBondContact CE-OD2 3.33Å; K227-D934 PolarHBondContact NZ-O 2.76Å; K227-D934 IonicContact NZ-OD1 2.82Å; K227-D934 IonicContact NZ-OD2 2.74Å; K227-D934 PolarHBondContact NZ-OD2 3.13Å; E932-D934 PolarHBondContact O-N 3.34Å |
| 935 | E | 33.9 | Very low | 28.5 | Very low | 118 Ų | 118 | 124.7 Ų | 124.7 | 55% | 0.551 | 65% | 0.645 | S | S | * | * | G | 310 helix | trans | -110.7 | 6.4 | 166 | -77.9 | -153.8 | 147 | 0 | 0 | 113.6 | E932 L937 | E932-E935 PolarHBondContact O-N 2.76Å; E935-L937 PolarHBondContact O-N 2.93Å |
| 936 | E | 25.6 | Very low | 28.3 | Very low | 136 Ų | 136 | 129.8 Ų | 129.8 | 64% | 0.636 | 66% | 0.663 | S | S | * | * | trans | -69.4 | 96.8 | 166.6 | -77.1 | -152.4 | 156.1 | 0 | 0 | 110.7 | I938 | E936-I938 PolarHBondContact O-N 2.89Š| ||
| 937 | L | 30.4 | Very low | 28.3 | Very low | 136 Ų | 136 | 134 Ų | 134 | 71% | 0.712 | 69% | 0.685 | S | S | * | * | trans | -61.7 | 95.7 | 175.2 | -82.7 | 168.6 | 0 | 0 | 0 | 111.8 | E935 F939 | E935-L937 PolarHBondContact O-N 2.93Å; L937-F939 PolarHBondContact O-N 3.05Å | ||
| 938 | I | 23.6 | Very low | 28.1 | Very low | 156 Ų | 156 | 133.1 Ų | 133.1 | 80% | 0.8 | 69% | 0.688 | S | S | * | * | trans | -61.5 | 102.3 | 157.3 | -60.2 | 178.1 | 0 | 0 | 0 | 107.6 | E936 A940 | E936-I938 PolarHBondContact O-N 2.89Å; I938-A940 PolarHBondContact O-N 3.47Å | ||
| 939 | F | 24 | Very low | 28 | Very low | 186 Ų | 186 | 136 Ų | 136 | 82% | 0.816 | 70% | 0.702 | S | S | * | * | trans | -65.9 | 86.5 | 163.7 | -87.5 | -86.9 | 0 | 0 | 0 | 109.3 | L937 K941 | L937-F939 PolarHBondContact O-N 3.05Å; F939-K941 PolarHBondContact O-N 2.92Å | ||
| 940 | A | 24.8 | Very low | 27.9 | Very low | 81 Ų | 81 | 139.8 Ų | 139.8 | 67% | 0.669 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 130.3 | 157.4 | 0 | 0 | 0 | 0 | 0 | 108 | I938 | I938-A940 PolarHBondContact O-N 3.47Š|
| 941 | K | 23.8 | Very low | 27.8 | Very low | 196 Ų | 196 | 138.2 Ų | 138.2 | 85% | 0.852 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -57 | 135.4 | 174.1 | -68.3 | -177.6 | 178.2 | -178.1 | 0 | 108.6 | F939 | F939-K941 PolarHBondContact O-N 2.92Š|
| 942 | P | 26.8 | Very low | 27.5 | Very low | 106 Ų | 106 | 139 Ų | 139 | 69% | 0.688 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 137.3 | 177.3 | 26.9 | -34.1 | 0 | 0 | 0 | 109.6 | ||
| 943 | P | 24.6 | Very low | 27.1 | Very low | 113 Ų | 113 | 142.9 Ų | 142.9 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 134.4 | 160.5 | 29.6 | -31.8 | 0 | 0 | 0 | 108.7 | F945 | P943-F945 PolarHBondContact O-N 3.41Š|
| 944 | D | 27.3 | Very low | 26.8 | Very low | 159 Ų | 159 | 141.5 Ų | 141.5 | 85% | 0.85 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -68.2 | 86.4 | -177.5 | -70.7 | -61.6 | 0 | 0 | 0 | 112.1 | ||
| 945 | F | 29.2 | Very low | 26.7 | Very low | 191 Ų | 191 | 141.3 Ų | 141.3 | 84% | 0.838 | 79% | 0.79 | S | S | * | * | trans | -139.6 | 36.5 | 177.5 | -109.3 | -77 | 0 | 0 | 0 | 114.7 | P943 | P943-F945 PolarHBondContact O-N 3.41Š| ||
| 946 | F | 24.9 | Very low | 26.2 | Very low | 214 Ų | 214 | 140.2 Ų | 140.2 | 94% | 0.939 | 80% | 0.801 | S | S | * | * | trans | -126 | 75.6 | 164 | -92.2 | -80.9 | 0 | 0 | 0 | 111.4 | ||||
| 947 | Q | 28.6 | Very low | 26.3 | Very low | 203 Ų | 203 | 139.6 Ų | 139.6 | 95% | 0.949 | 81% | 0.809 | S | S | * | * | trans | -127.8 | 55.7 | 168.3 | -158.2 | 179.7 | 21.5 | 0 | 0 | 112.1 | ||||
| 948 | A | 27.8 | Very low | 26.4 | Very low | 80 Ų | 80 | 136.7 Ų | 136.7 | 66% | 0.661 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -146.3 | 157.4 | 162.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||
| 949 | L | 27.9 | Very low | 26.6 | Very low | 185 Ų | 185 | 134.5 Ų | 134.5 | 97% | 0.969 | 81% | 0.807 | S | S | * | * | trans | 65.8 | 51.5 | -179.3 | -51.8 | -179.5 | 0 | 0 | 0 | 115.8 | ||||
| 950 | A | 25.9 | Very low | 26.7 | Very low | 109 Ų | 109 | 133.9 Ų | 133.9 | 90% | 0.901 | 81% | 0.813 | S | S | * | * | trans | -109.3 | 114.8 | 149.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 951 | G | 25.4 | Very low | 26.8 | Very low | 68 Ų | 68 | 137 Ų | 137 | 70% | 0.701 | 82% | 0.816 | S | S | * | * | trans | -163.6 | 143.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 952 | P | 28.1 | Very low | 27 | Very low | 128 Ų | 128 | 137.2 Ų | 137.2 | 83% | 0.831 | 82% | 0.818 | S | S | * | * | trans | -84 | 143.9 | -156.2 | 31.5 | -36.3 | 0 | 0 | 0 | 114.6 | ||||
| 953 | L | 27.7 | Very low | 26.9 | Very low | 183 Ų | 183 | 137.8 Ų | 137.8 | 96% | 0.958 | 82% | 0.815 | S | S | * | * | trans | -69.3 | 126.3 | 160.8 | -70 | 170.1 | 0 | 0 | 0 | 109.6 | ||||
| 954 | S | 25.6 | Very low | 27.2 | Very low | 115 Ų | 115 | 136.3 Ų | 136.3 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | trans | -149.3 | 170 | 168.6 | -163.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 955 | S | 24.6 | Very low | 27.1 | Very low | 105 Ų | 105 | 136 Ų | 136 | 73% | 0.734 | 80% | 0.803 | S | S | * | * | trans | -81.6 | 132 | -156.4 | 55.7 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 956 | A | 24 | Very low | 27 | Very low | 94 Ų | 94 | 135.2 Ų | 135.2 | 78% | 0.777 | 80% | 0.802 | S | S | * | * | trans | 63.6 | 171.5 | 153 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 957 | P | 27.6 | Very low | 27 | Very low | 124 Ų | 124 | 130.3 Ų | 130.3 | 81% | 0.805 | 79% | 0.794 | S | S | * | * | cis | -112.5 | 178.8 | -17.6 | 39 | -26.4 | 0 | 0 | 0 | 112.7 | ||||
| 958 | G | 33.3 | Very low | 26.8 | Very low | 74 Ų | 74 | 131 Ų | 131 | 76% | 0.763 | 79% | 0.788 | S | S | * | * | trans | -84 | 143 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 959 | P | 27.1 | Very low | 26.6 | Very low | 110 Ų | 110 | 133.2 Ų | 133.2 | 71% | 0.714 | 79% | 0.787 | S | S | * | * | trans | -110.9 | 120.5 | 175.2 | 35.9 | -26.4 | 0 | 0 | 0 | 113.8 | ||||
| 960 | N | 25 | Very low | 26.4 | Very low | 173 Ų | 173 | 131.6 Ų | 131.6 | 93% | 0.925 | 77% | 0.774 | S | S | * | * | trans | -86 | 137.8 | 148.3 | -93.1 | -39.9 | 0 | 0 | 0 | 108.1 | ||||
| 961 | I | 28.3 | Very low | 26.4 | Very low | 146 Ų | 146 | 131.3 Ų | 131.3 | 75% | 0.749 | 77% | 0.766 | S | S | * | * | trans | -135.5 | 113.4 | 170.4 | -61.2 | -179.1 | 0 | 0 | 0 | 108.9 | ||||
| 962 | F | 26.5 | Very low | 26.2 | Very low | 202 Ų | 202 | 132.8 Ų | 132.8 | 89% | 0.886 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -89.4 | 158.5 | 159.7 | -118.2 | -89.5 | 0 | 0 | 0 | 110 | ||
| 963 | L | 26.6 | Very low | 26.1 | Very low | 118 Ų | 118 | 134.4 Ų | 134.4 | 62% | 0.618 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 156.2 | 179.8 | -84.8 | 77.2 | 0 | 0 | 0 | 112.3 | Q825 | Q825-L963 HydrophobicContact CG-CD2 4.3Š|
| 964 | P | 29.3 | Very low | 26 | Very low | 82 Ų | 82 | 133.5 Ų | 133.5 | 53% | 0.532 | 75% | 0.753 | S | S | . | * | P | Polyproline II helix | trans | -90.7 | 160.5 | -176.4 | 37.3 | -35.1 | 0 | 0 | 0 | 112.9 | Q825 | Q825-P964 VanDerWaalsContact NE2-CD 3.32Š|
| 965 | N | 26.1 | Very low | 26 | Very low | 153 Ų | 153 | 132.2 Ų | 132.2 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | trans | -152.3 | 171.5 | 131.3 | -132.6 | -34.2 | 0 | 0 | 0 | 112.2 | ||||
| 966 | Q | 27.1 | Very low | 26 | Very low | 173 Ų | 173 | 133.5 Ų | 133.5 | 81% | 0.808 | 75% | 0.752 | S | S | * | * | trans | -102 | 158 | -165.7 | -59.5 | -172.1 | 18 | 0 | 0 | 115.8 | ||||
| 967 | S | 24.6 | Very low | 26.1 | Very low | 111 Ų | 111 | 133.6 Ų | 133.6 | 78% | 0.776 | 75% | 0.747 | S | S | * | * | trans | 92.8 | 109.4 | 140.5 | 78 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 968 | R | 24.6 | Very low | 26.1 | Very low | 217 Ų | 217 | 136.6 Ų | 136.6 | 82% | 0.819 | 75% | 0.75 | S | S | * | * | 105.2 | 115.6 | 115.9 | -164.4 | 172.5 | -175.3 | 179.2 | 0.9 | 120.8 | |||||
| 969 | M | 22.9 | Very low | 25.8 | Very low | 128 Ų | 128 | 137.7 Ų | 137.7 | 63% | 0.631 | 75% | 0.746 | S | S | * | * | trans | 66.7 | 114.4 | 147.7 | -71.4 | 169 | 123.1 | 0 | 0 | 122.5 | ||||
| 970 | E | 24.8 | Very low | 25.7 | Very low | 150 Ų | 150 | 138 Ų | 138 | 70% | 0.701 | 75% | 0.751 | S | S | * | * | 53.7 | 96.6 | 120.9 | -64.3 | 174.2 | 117.3 | 0 | 0 | 122.3 | |||||
| 971 | S | 25.5 | Very low | 25.8 | Very low | 104 Ų | 104 | 135 Ų | 135 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | 83.6 | 146.6 | 117.8 | 83.3 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 972 | S | 21.5 | Very low | 25.8 | Very low | 99 Ų | 99 | 136.5 Ų | 136.5 | 69% | 0.692 | 75% | 0.752 | S | S | * | * | trans | 98.2 | 115.5 | 142.6 | -52.4 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 973 | Q | 25.4 | Very low | 25.8 | Very low | 161 Ų | 161 | 134.7 Ų | 134.7 | 75% | 0.752 | 75% | 0.751 | S | S | * | * | trans | 69.9 | 111.5 | 140.5 | -67.2 | -179.5 | -95.6 | 0 | 0 | 123.5 | ||||
| 974 | E | 25.3 | Very low | 26 | Very low | 165 Ų | 165 | 134 Ų | 134 | 77% | 0.771 | 75% | 0.754 | S | S | * | * | 71.2 | 130.2 | 119.3 | -65.3 | -179.2 | 112.2 | 0 | 0 | 124.6 | |||||
| 975 | A | 25.8 | Very low | 25.8 | Very low | 88 Ų | 88 | 137.9 Ų | 137.9 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | trans | 97.7 | 107.4 | 130.6 | 0 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 976 | V | 25.6 | Very low | 25.7 | Very low | 132 Ų | 132 | 135.6 Ų | 135.6 | 80% | 0.8 | 77% | 0.77 | S | S | * | * | 81 | 143.9 | 121 | 176.1 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 977 | S | 25.1 | Very low | 25.6 | Very low | 96 Ų | 96 | 131.1 Ų | 131.1 | 67% | 0.671 | 77% | 0.771 | S | S | * | * | trans | 69.3 | 120.7 | 167.8 | 40.9 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 978 | Q | 27.7 | Very low | 25.8 | Very low | 187 Ų | 187 | 135.9 Ų | 135.9 | 87% | 0.874 | 78% | 0.778 | S | S | * | * | 76.3 | 132.8 | 67.5 | -77.7 | -175.3 | 6.3 | 0 | 0 | 113.3 | |||||
| 979 | S | 27.5 | Very low | 26.2 | Very low | 96 Ų | 96 | 131.1 Ų | 131.1 | 67% | 0.671 | 78% | 0.775 | S | S | * | * | cis | -151.7 | 143.5 | 11.3 | -79.2 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 980 | S | 25.6 | Very low | 26.2 | Very low | 117 Ų | 117 | 133.3 Ų | 133.3 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | trans | 23.1 | 126.8 | 135.2 | -45.7 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 981 | S | 26.9 | Very low | 26.2 | Very low | 110 Ų | 110 | 133.3 Ų | 133.3 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | -167.5 | 109.5 | 128.9 | 62.6 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 982 | L | 28.3 | Very low | 26 | Very low | 177 Ų | 177 | 134.4 Ų | 134.4 | 93% | 0.927 | 78% | 0.783 | S | S | * | * | trans | 64.3 | 162.8 | 144.9 | -58 | 175.6 | 0 | 0 | 0 | 121.9 | ||||
| 983 | L | 25.4 | Very low | 26.2 | Very low | 165 Ų | 165 | 140 Ų | 140 | 86% | 0.864 | 80% | 0.796 | S | S | * | * | trans | -109.4 | 174.6 | -160.6 | -66.4 | 172.4 | 0 | 0 | 0 | 111.3 | ||||
| 984 | P | 31.9 | Very low | 26.2 | Very low | 104 Ų | 104 | 136.6 Ų | 136.6 | 68% | 0.675 | 80% | 0.795 | S | S | * | * | cis | -147.2 | 179.4 | 20 | 46.2 | -27 | 0 | 0 | 0 | 119.8 | ||||
| 985 | I | 24.4 | Very low | 26.2 | Very low | 163 Ų | 163 | 137.7 Ų | 137.7 | 84% | 0.836 | 80% | 0.801 | S | S | * | * | trans | 81.2 | 140.5 | 157 | -72.5 | 161.4 | 0 | 0 | 0 | 119.7 | ||||
| 986 | A | 23.8 | Very low | 26.1 | Very low | 104 Ų | 104 | 140.7 Ų | 140.7 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | trans | 78.3 | 126.7 | 168.8 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 987 | G | 25.2 | Very low | 26.1 | Very low | 80 Ų | 80 | 140.2 Ų | 140.2 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | trans | 140.3 | 95.1 | 162.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 988 | F | 29.5 | Very low | 26 | Very low | 210 Ų | 210 | 141.8 Ų | 141.8 | 92% | 0.921 | 81% | 0.806 | S | S | * | * | trans | -90.7 | 141.3 | 151.7 | -83.9 | -84.2 | 0 | 0 | 0 | 108.1 | ||||
| 989 | P | 32.8 | Very low | 25.9 | Very low | 117 Ų | 117 | 143.2 Ų | 143.2 | 76% | 0.76 | 81% | 0.81 | S | S | * | * | -149.3 | -179.9 | 96.7 | 38.9 | -21.5 | 0 | 0 | 0 | 115 | |||||
| 990 | M | 22.7 | Very low | 26 | Very low | 175 Ų | 175 | 143.1 Ų | 143.1 | 86% | 0.862 | 81% | 0.81 | S | S | * | * | trans | 18.3 | 144.8 | 157.1 | -76.2 | -176.2 | 165.5 | 0 | 0 | 121.1 | ||||
| 991 | Q | 23.9 | Very low | 26 | Very low | 150 Ų | 150 | 147 Ų | 147 | 70% | 0.701 | 82% | 0.815 | S | S | * | * | cis | -158.2 | -174.1 | 33.1 | -146.7 | 179 | -87.6 | 0 | 0 | 113 | ||||
| 992 | D | 22.2 | Very low | 26 | Very low | 126 Ų | 126 | 146.6 Ų | 146.6 | 67% | 0.674 | 82% | 0.818 | S | S | * | * | trans | 69.5 | 106.4 | 156.3 | -62.4 | -25.7 | 0 | 0 | 0 | 120.4 | ||||
| 993 | F | 26.3 | Very low | 26 | Very low | 216 Ų | 216 | 149.9 Ų | 149.9 | 95% | 0.947 | 82% | 0.82 | S | S | * | * | trans | -131 | 123.5 | 138 | -116.1 | -87.2 | 0 | 0 | 0 | 110.2 | ||||
| 994 | A | 24.8 | Very low | 26 | Very low | 91 Ų | 91 | 145.9 Ų | 145.9 | 75% | 0.752 | 82% | 0.818 | S | S | * | * | trans | -77.9 | 156.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 995 | Q | 25 | Very low | 26 | Very low | 188 Ų | 188 | 150.3 Ų | 150.3 | 88% | 0.879 | 83% | 0.827 | S | S | * | * | trans | -63.4 | 136.1 | 174.6 | -63.8 | 170.9 | -24.5 | 0 | 0 | 111.2 | ||||
| 996 | N | 24.6 | Very low | 26.1 | Very low | 150 Ų | 150 | 150.3 Ų | 150.3 | 80% | 0.802 | 83% | 0.828 | S | S | * | * | trans | -148.4 | 117.9 | 153.8 | -104.3 | -41.9 | 0 | 0 | 0 | 110.5 | ||||
| 997 | S | 24.6 | Very low | 26.4 | Very low | 122 Ų | 122 | 153.2 Ų | 153.2 | 85% | 0.853 | 83% | 0.829 | S | S | * | * | trans | -94.7 | 114.8 | 172.2 | -179.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 998 | I | 23.8 | Very low | 27 | Very low | 130 Ų | 130 | 154.8 Ų | 154.8 | 67% | 0.667 | 82% | 0.824 | S | S | * | * | trans | -138.1 | 110 | 175 | -54.1 | -179.9 | 0 | 0 | 0 | 108.3 | ||||
| 999 | F | 25.5 | Very low | 27.6 | Very low | 217 Ų | 217 | 149.8 Ų | 149.8 | 95% | 0.952 | 81% | 0.813 | S | S | * | * | trans | -141.4 | 59.4 | 166.7 | -134.1 | -77.1 | 0 | 0 | 0 | 111.7 | ||||
| 1000 | S | 28.1 | Very low | 27.3 | Very low | 94 Ų | 94 | 149.9 Ų | 149.9 | 66% | 0.657 | 82% | 0.817 | S | S | * | * | trans | -153.4 | 100 | 169.1 | 65.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1001 | Q | 26.8 | Very low | 27.6 | Very low | 199 Ų | 199 | 147.3 Ų | 147.3 | 93% | 0.93 | 82% | 0.815 | S | S | * | * | trans | 164 | 120 | 144.2 | -93.3 | 168.4 | 40.7 | 0 | 0 | 111.2 | ||||
| 1002 | A | 26.9 | Very low | 27.6 | Very low | 100 Ų | 100 | 149.1 Ų | 149.1 | 83% | 0.826 | 82% | 0.821 | S | S | * | * | trans | -157.8 | 74.3 | 165.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1003 | Y | 27.3 | Very low | 27.8 | Very low | 247 Ų | 247 | 147.8 Ų | 147.8 | 97% | 0.969 | 83% | 0.828 | S | S | * | * | trans | -145 | 106.5 | 167.3 | -114.9 | -81.9 | 0 | 0 | 0 | 108.1 | ||||
| 1004 | G | 25.5 | Very low | 27.6 | Very low | 81 Ų | 81 | 144.4 Ų | 144.4 | 84% | 0.835 | 82% | 0.82 | S | S | * | * | trans | 175.8 | 133.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1005 | K | 31.5 | Very low | 27.7 | Very low | 196 Ų | 196 | 144.1 Ų | 144.1 | 85% | 0.852 | 82% | 0.817 | S | S | * | * | trans | -94.3 | 154 | 176.9 | -58 | 170.5 | -178.6 | 175.4 | 0 | 109.5 | ||||
| 1006 | N | 27.1 | Very low | 28.1 | Very low | 163 Ų | 163 | 140.7 Ų | 140.7 | 87% | 0.872 | 81% | 0.811 | S | S | * | * | -178.2 | 148.4 | 127.1 | -87 | -25.3 | 0 | 0 | 0 | 112.7 | |||||
| 1007 | L | 29.4 | Very low | 28 | Very low | 166 Ų | 166 | 142.6 Ų | 142.6 | 87% | 0.869 | 82% | 0.817 | S | S | * | * | trans | -114 | -179.1 | 166 | -86.4 | 115.5 | 0 | 0 | 0 | 107.5 | ||||
| 1008 | P | 38.2 | Very low | 27.9 | Very low | 113 Ų | 113 | 144.3 Ų | 144.3 | 73% | 0.734 | 81% | 0.814 | S | S | * | * | cis | -140.8 | -142.9 | 16 | 47.1 | -26 | 0 | 0 | 0 | 111.9 | ||||
| 1009 | P | 43 | Very low | 27.9 | Very low | 104 Ų | 104 | 147.6 Ų | 147.6 | 68% | 0.675 | 83% | 0.827 | S | S | * | * | cis | -133.7 | 160.2 | -24.9 | 36 | -18.7 | 0 | 0 | 0 | 116.8 | ||||
| 1010 | S | 26.7 | Very low | 27.8 | Very low | 120 Ų | 120 | 145.4 Ų | 145.4 | 84% | 0.839 | 82% | 0.819 | S | S | * | * | trans | 66.9 | 157.9 | 153.3 | 72.8 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1011 | S | 27.8 | Very low | 27.5 | Very low | 120 Ų | 120 | 150.1 Ų | 150.1 | 84% | 0.839 | 83% | 0.831 | S | S | * | * | cis | -135.6 | 173.8 | 5.2 | 55.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1012 | K | 24.9 | Very low | 27.4 | Very low | 188 Ų | 188 | 145.9 Ų | 145.9 | 82% | 0.817 | 82% | 0.82 | S | S | * | * | trans | -95.1 | 146.5 | -160.3 | -55.3 | 178.7 | 178.5 | -175.9 | 0 | 117.1 | ||||
| 1013 | A | 26 | Very low | 27.3 | Very low | 99 Ų | 99 | 146.2 Ų | 146.2 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | -164.5 | 172.1 | 129.6 | 0 | 0 | 0 | 0 | 0 | 110 | |||||
| 1014 | D | 23 | Very low | 27.1 | Very low | 145 Ų | 145 | 142.6 Ų | 142.6 | 78% | 0.775 | 81% | 0.813 | S | S | * | * | -149.6 | -174.1 | -89.1 | -123.2 | -76 | 0 | 0 | 0 | 111.4 | |||||
| 1015 | A | 26.7 | Very low | 27.1 | Very low | 84 Ų | 84 | 149.1 Ų | 149.1 | 69% | 0.694 | 81% | 0.814 | S | S | * | * | trans | -89.8 | 163.8 | -161.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1016 | P | 32 | Very low | 26.9 | Very low | 117 Ų | 117 | 145.3 Ų | 145.3 | 76% | 0.76 | 81% | 0.812 | S | S | * | * | -150.6 | 155.7 | 82.1 | 40.1 | -22 | 0 | 0 | 0 | 119.4 | |||||
| 1017 | M | 22.8 | Very low | 26.9 | Very low | 189 Ų | 189 | 145.5 Ų | 145.5 | 93% | 0.931 | 81% | 0.812 | S | S | * | * | trans | 70.8 | 155.8 | 146.7 | -73.5 | -175.5 | 69.9 | 0 | 0 | 123.2 | ||||
| 1018 | M | 23.5 | Very low | 26.7 | Very low | 158 Ų | 158 | 148 Ų | 148 | 78% | 0.778 | 82% | 0.816 | S | S | * | * | trans | -94.3 | 156.7 | -163.9 | -57.3 | 157 | 58.1 | 0 | 0 | 114.4 | ||||
| 1019 | Q | 23.8 | Very low | 26.1 | Very low | 200 Ų | 200 | 152.3 Ų | 152.3 | 94% | 0.935 | 83% | 0.827 | S | S | * | * | trans | -131.5 | 163.5 | 132.8 | -86.4 | -167.2 | -25.6 | 0 | 0 | 110.2 | ||||
| 1020 | Q | 22.2 | Very low | 25.2 | Very low | 170 Ų | 170 | 150.8 Ų | 150.8 | 79% | 0.794 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -100 | 148.6 | -166.8 | -61.9 | 169 | -90.1 | 0 | 0 | 112.8 | ||
| 1021 | E | 21.7 | Very low | 25.2 | Very low | 193 Ų | 193 | 152.9 Ų | 152.9 | 90% | 0.902 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 132.3 | 159.2 | -70 | -171.1 | 131 | 0 | 0 | 111.1 | ||
| 1022 | P | 24.6 | Very low | 25.3 | Very low | 110 Ų | 110 | 152.8 Ų | 152.8 | 71% | 0.714 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -90.1 | 118 | 160.6 | 32.7 | -28.4 | 0 | 0 | 0 | 110.8 | L1024 | P1022-L1024 PolarHBondContact O-N 3.41Š|
| 1023 | S | 25 | Very low | 25.5 | Very low | 108 Ų | 108 | 155.8 Ų | 155.8 | 76% | 0.755 | 84% | 0.835 | S | S | * | * | trans | -60.1 | 115.7 | 176 | 151.9 | 0 | 0 | 0 | 0 | 112.5 | Y1025 | S1023-Y1025 PolarHBondContact O-N 2.83Š| ||
| 1024 | L | 24.8 | Very low | 25.4 | Very low | 170 Ų | 170 | 155.6 Ų | 155.6 | 89% | 0.89 | 83% | 0.828 | S | S | * | * | trans | -85 | 100.1 | 176.7 | -71.6 | 177.2 | 0 | 0 | 0 | 112.9 | P1022 | P1022-L1024 PolarHBondContact O-N 3.41Š| ||
| 1025 | Y | 25 | Very low | 25.6 | Very low | 219 Ų | 219 | 154.3 Ų | 154.3 | 86% | 0.859 | 83% | 0.827 | S | S | * | * | trans | -107.7 | 81.2 | 172.4 | -133 | -76 | 0 | 0 | 0 | 110.2 | S1023 | S1023-Y1025 PolarHBondContact O-N 2.83Š| ||
| 1026 | S | 27.4 | Very low | 25.5 | Very low | 115 Ų | 115 | 156.1 Ų | 156.1 | 80% | 0.804 | 84% | 0.835 | S | S | * | * | trans | -172.2 | 75.9 | 170 | -84.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1027 | L | 26.3 | Very low | 25.2 | Very low | 167 Ų | 167 | 158.3 Ų | 158.3 | 87% | 0.874 | 84% | 0.839 | S | S | * | * | trans | -145.2 | 66.1 | 170.1 | -79 | -178.9 | 0 | 0 | 0 | 111.8 | ||||
| 1028 | F | 25.7 | Very low | 25.7 | Very low | 218 Ų | 218 | 155.5 Ų | 155.5 | 96% | 0.956 | 84% | 0.835 | S | S | * | * | trans | -148.3 | 81.8 | 170.2 | -84.8 | -67.6 | 0 | 0 | 0 | 112.2 | ||||
| 1029 | E | 24.9 | Very low | 25.8 | Very low | 204 Ų | 204 | 152.9 Ų | 152.9 | 95% | 0.953 | 84% | 0.839 | S | S | * | * | trans | -149.3 | 118.5 | 157.5 | -124 | 171.6 | -152.2 | 0 | 0 | 108.8 | ||||
| 1030 | G | 24.9 | Very low | 26 | Very low | 73 Ų | 73 | 149 Ų | 149 | 75% | 0.753 | 83% | 0.834 | S | S | * | * | S | Bend | trans | 133.3 | 111.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 1031 | N | 27.3 | Very low | 26.3 | Very low | 164 Ų | 164 | 146.1 Ų | 146.1 | 88% | 0.877 | 83% | 0.833 | S | S | * | * | trans | 56.8 | 88.6 | 159.9 | -61.9 | -5.7 | 0 | 0 | 0 | 119.6 | ||||
| 1032 | P | 28.7 | Very low | 26.5 | Very low | 118 Ų | 118 | 143.4 Ų | 143.4 | 77% | 0.766 | 82% | 0.824 | S | S | * | * | trans | -81.9 | 140.5 | 153.9 | 33.9 | -31 | 0 | 0 | 0 | 111.7 | ||||
| 1033 | W | 28.8 | Very low | 26.6 | Very low | 250 Ų | 250 | 146.1 Ų | 146.1 | 95% | 0.947 | 83% | 0.827 | S | S | * | * | trans | -129.4 | 130 | 156.1 | -124.6 | 71.9 | 0 | 0 | 0 | 108.7 | ||||
| 1034 | S | 23.5 | Very low | 26.7 | Very low | 96 Ų | 96 | 146.6 Ų | 146.6 | 67% | 0.671 | 83% | 0.83 | S | S | * | * | trans | -136.2 | 133.9 | 179.5 | -67.9 | 0 | 0 | 0 | 0 | 109.1 | S1036 | S1034-S1036 PolarHBondContact O-N 3.4Š| ||
| 1035 | P | 28 | Very low | 26.9 | Very low | 117 Ų | 117 | 145.2 Ų | 145.2 | 76% | 0.76 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 124.5 | -178.2 | 30.4 | -33.4 | 0 | 0 | 0 | 111.4 | L1037 | P1035-L1037 PolarHBondContact O-N 3.46Š|
| 1036 | S | 25.5 | Very low | 27 | Very low | 123 Ų | 123 | 140.9 Ų | 140.9 | 86% | 0.86 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -77 | 119.8 | 173.3 | -60.7 | 0 | 0 | 0 | 0 | 111.1 | S1034 | S1034-S1036 PolarHBondContact O-N 3.4Š|
| 1037 | L | 25.8 | Very low | 27 | Very low | 162 Ų | 162 | 140 Ų | 140 | 85% | 0.848 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -82.6 | 146.2 | 167.5 | -67.7 | 172 | 0 | 0 | 0 | 110.4 | P1035 | P1035-L1037 PolarHBondContact O-N 3.46Š|
| 1038 | P | 31.7 | Very low | 27.1 | Very low | 130 Ų | 130 | 136.8 Ų | 136.8 | 84% | 0.844 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 131.2 | 178.7 | 30.5 | -33.8 | 0 | 0 | 0 | 111.6 | ||
| 1039 | A | 26.6 | Very low | 27.1 | Very low | 104 Ų | 104 | 135.7 Ų | 135.7 | 86% | 0.86 | 82% | 0.817 | S | S | * | * | trans | -117.3 | 138 | 168.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1040 | S | 27.9 | Very low | 27.5 | Very low | 119 Ų | 119 | 130.6 Ų | 130.6 | 83% | 0.832 | 80% | 0.804 | S | S | * | * | trans | -103 | 119.5 | -173.3 | 55.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1041 | S | 27.5 | Very low | 27.6 | Very low | 109 Ų | 109 | 133.3 Ų | 133.3 | 76% | 0.762 | 81% | 0.808 | S | S | * | * | trans | 174.9 | 113.7 | 135.1 | 57.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1042 | D | 25.7 | Very low | 27.7 | Very low | 136 Ų | 136 | 133.4 Ų | 133.4 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | trans | 45.3 | 126.3 | 136.7 | -74.6 | -59.3 | 0 | 0 | 0 | 125 | ||||
| 1043 | H | 28.1 | Very low | 27.8 | Very low | 167 Ų | 167 | 133.2 Ų | 133.2 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | trans | 106.5 | 139.3 | 134 | -68.7 | -3.9 | 0 | 0 | 0 | 121.9 | ||||
| 1044 | S | 26.6 | Very low | 27.7 | Very low | 117 Ų | 117 | 127.5 Ų | 127.5 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | trans | 78.3 | 93.8 | 158.8 | -58.8 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1045 | T | 28.3 | Very low | 27.9 | Very low | 142 Ų | 142 | 130.3 Ų | 130.3 | 87% | 0.871 | 81% | 0.81 | S | S | * | * | trans | -78.4 | 151 | 157.8 | 43.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1046 | P | 28.3 | Very low | 28.2 | Very low | 128 Ų | 128 | 130.1 Ų | 130.1 | 83% | 0.831 | 81% | 0.809 | S | S | * | * | trans | -114.8 | 157.7 | 141.1 | 35.4 | -29.8 | 0 | 0 | 0 | 111.2 | ||||
| 1047 | A | 26.5 | Very low | 28.5 | Very low | 95 Ų | 95 | 129.6 Ų | 129.6 | 79% | 0.785 | 81% | 0.805 | S | S | * | * | trans | -96.7 | 156.5 | -170.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1048 | S | 29.3 | Very low | 28.7 | Very low | 100 Ų | 100 | 127.5 Ų | 127.5 | 70% | 0.699 | 80% | 0.804 | S | S | * | * | trans | -19.7 | 142.8 | 164.6 | 57.4 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1049 | Q | 25.5 | Very low | 28.5 | Very low | 195 Ų | 195 | 129.3 Ų | 129.3 | 91% | 0.911 | 81% | 0.806 | S | S | * | * | -161.5 | 155.3 | 116.8 | -112.3 | 158.8 | 100.9 | 0 | 0 | 114.4 | |||||
| 1050 | S | 32.2 | Very low | 29.2 | Very low | 97 Ų | 97 | 129.6 Ų | 129.6 | 68% | 0.678 | 80% | 0.799 | S | S | * | * | trans | -81.3 | 178.9 | 177.2 | -41.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1051 | P | 28.6 | Very low | 29.2 | Very low | 130 Ų | 130 | 128.9 Ų | 128.9 | 84% | 0.844 | 79% | 0.794 | S | S | * | * | -142 | 167.5 | 105.2 | 37.9 | -25.3 | 0 | 0 | 0 | 115.3 | |||||
| 1052 | H | 29.4 | Very low | 29.3 | Very low | 166 Ų | 166 | 129.4 Ų | 129.4 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | trans | -108.8 | 162.4 | 173.9 | -74.5 | -89.2 | 0 | 0 | 0 | 112.4 | ||||
| 1053 | S | 29.1 | Very low | 29.9 | Very low | 114 Ų | 114 | 128.6 Ų | 128.6 | 80% | 0.797 | 80% | 0.799 | S | S | * | * | trans | 50.1 | 117.1 | 144.2 | 61.9 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1054 | S | 28.1 | Very low | 30.6 | Very low | 130 Ų | 130 | 125.6 Ų | 125.6 | 91% | 0.909 | 80% | 0.795 | S | S | * | * | trans | -82 | 141.2 | 162.2 | -55.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1055 | N | 26.9 | Very low | 30.6 | Very low | 155 Ų | 155 | 126 Ų | 126 | 83% | 0.829 | 79% | 0.792 | S | S | * | * | trans | -118.9 | 154 | 176.8 | -148.1 | 30.9 | 0 | 0 | 0 | 109.3 | ||||
| 1056 | P | 35.4 | Very low | 30.7 | Very low | 114 Ų | 114 | 126.1 Ų | 126.1 | 74% | 0.74 | 78% | 0.783 | S | S | * | * | trans | -79.6 | 164.2 | -179.3 | 31.4 | -33 | 0 | 0 | 0 | 114.1 | ||||
| 1057 | S | 31 | Very low | 30.7 | Very low | 111 Ų | 111 | 123.6 Ų | 123.6 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | trans | -52.6 | 153.1 | -174.5 | -45 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1058 | S | 29.8 | Very low | 31 | Very low | 118 Ų | 118 | 126.7 Ų | 126.7 | 83% | 0.825 | 76% | 0.76 | S | S | * | * | -168.7 | 173.2 | 63.5 | -59.7 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 1059 | L | 28 | Very low | 31 | Very low | 169 Ų | 169 | 125.8 Ų | 125.8 | 89% | 0.885 | 77% | 0.767 | S | S | * | * | trans | -79.9 | 178.3 | 178.3 | -62.7 | 168.7 | 0 | 0 | 0 | 112.8 | ||||
| 1060 | P | 40.3 | Very low | 31.2 | Very low | 110 Ų | 110 | 121.3 Ų | 121.3 | 71% | 0.714 | 76% | 0.763 | S | S | * | * | cis | -143 | -179.4 | 8.7 | 45.8 | -27.4 | 0 | 0 | 0 | 118.9 | ||||
| 1061 | S | 28.8 | Very low | 31.1 | Very low | 104 Ų | 104 | 121.2 Ų | 121.2 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | trans | 72.9 | 99.7 | 145.8 | -61.5 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 1062 | S | 30 | Very low | 31 | Very low | 120 Ų | 120 | 119.9 Ų | 119.9 | 84% | 0.839 | 76% | 0.762 | S | S | * | * | 71.6 | 161.3 | 117.5 | -59.8 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 1063 | P | 38.3 | Very low | 30.9 | Very low | 118 Ų | 118 | 121.4 Ų | 121.4 | 77% | 0.766 | 77% | 0.767 | S | S | * | * | trans | -125.1 | -153 | -140 | 48.4 | -36 | 0 | 0 | 0 | 114.5 | ||||
| 1064 | P | 41.2 | Very low | 31 | Very low | 105 Ų | 105 | 120.4 Ų | 120.4 | 68% | 0.682 | 76% | 0.76 | S | S | * | * | cis | -139.4 | -170.7 | -8.1 | 30.1 | -3.9 | 0 | 0 | 0 | 117.6 | ||||
| 1065 | T | 27.7 | Very low | 31 | Very low | 124 Ų | 124 | 120.5 Ų | 120.5 | 76% | 0.761 | 75% | 0.75 | S | S | * | * | trans | 111.9 | 122.5 | 147.3 | 68.6 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 1066 | H | 29.8 | Very low | 31.1 | Very low | 146 Ų | 146 | 122.8 Ų | 122.8 | 68% | 0.676 | 75% | 0.753 | S | S | * | * | trans | 56.3 | 116.6 | 140.8 | -80.4 | -66.3 | 0 | 0 | 0 | 128.9 | ||||
| 1067 | N | 28.7 | Very low | 30.8 | Very low | 75 Ų | 75 | 120.6 Ų | 120.6 | 40% | 0.401 | 75% | 0.752 | S | S | . | * | 81 | 123.9 | 121.6 | -79.1 | 13.4 | 0 | 0 | 0 | 127.3 | |||||
| 1068 | H | 32.8 | Very low | 31.6 | Very low | 160 Ų | 160 | 120.9 Ų | 120.9 | 74% | 0.741 | 75% | 0.751 | S | S | * | * | trans | 58 | 139.2 | 135.6 | -59.8 | -50.9 | 0 | 0 | 0 | 123.7 | ||||
| 1069 | G | 30.1 | Very low | 31.9 | Very low | 81 Ų | 81 | 123.5 Ų | 123.5 | 84% | 0.835 | 75% | 0.754 | S | S | * | * | trans | 153 | 117.9 | 146.3 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1070 | A | 30.1 | Very low | 31.9 | Very low | 101 Ų | 101 | 118.9 Ų | 118.9 | 84% | 0.835 | 75% | 0.747 | S | S | * | * | trans | -75.2 | 150.5 | -169.6 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1071 | A | 28.8 | Very low | 31.7 | Very low | 94 Ų | 94 | 120.4 Ų | 120.4 | 78% | 0.777 | 75% | 0.754 | S | S | * | * | 75.3 | 142.2 | 130 | 0 | 0 | 0 | 0 | 0 | 126.3 | |||||
| 1072 | S | 27.1 | Very low | 32.1 | Very low | 103 Ų | 103 | 121 Ų | 121 | 72% | 0.72 | 76% | 0.756 | S | S | * | * | trans | 96.5 | 111.9 | 140.2 | -68 | 0 | 0 | 0 | 0 | 125 | ||||
| 1073 | F | 26.7 | Very low | 32 | Very low | 197 Ų | 197 | 122.4 Ų | 122.4 | 86% | 0.864 | 75% | 0.754 | S | S | * | * | trans | 71 | 118 | 132.7 | -82.9 | -80 | 0 | 0 | 0 | 126.2 | ||||
| 1074 | S | 31 | Very low | 31.6 | Very low | 93 Ų | 93 | 121.1 Ų | 121.1 | 65% | 0.65 | 75% | 0.748 | S | S | * | * | 97.9 | 116.6 | 123.8 | -141 | 0 | 0 | 0 | 0 | 125.4 | |||||
| 1075 | N | 29.1 | Very low | 31.1 | Very low | 132 Ų | 132 | 127.2 Ų | 127.2 | 71% | 0.706 | 76% | 0.757 | S | S | * | * | trans | 73.2 | 120.7 | 131.1 | -74.4 | -0.8 | 0 | 0 | 0 | 128 | ||||
| 1076 | F | 28.9 | Very low | 31.2 | Very low | 203 Ų | 203 | 127 Ų | 127 | 89% | 0.89 | 75% | 0.752 | S | S | * | * | trans | 73 | 154.7 | 140.3 | -79.5 | -99.7 | 0 | 0 | 0 | 124.1 | ||||
| 1077 | G | 29.4 | Very low | 31.2 | Very low | 69 Ų | 69 | 130.3 Ų | 130.3 | 71% | 0.711 | 76% | 0.758 | S | S | * | * | trans | -101.2 | -142.2 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1078 | P | 46.4 | Very low | 31.3 | Very low | 117 Ų | 117 | 136.3 Ų | 136.3 | 76% | 0.76 | 78% | 0.775 | S | S | * | * | cis | -148.8 | -178.8 | 11.6 | 45.9 | -25.7 | 0 | 0 | 0 | 119.3 | ||||
| 1079 | I | 35.7 | Very low | 31.1 | Very low | 173 Ų | 173 | 134.6 Ų | 134.6 | 89% | 0.887 | 78% | 0.775 | S | S | * | * | trans | 55.9 | 135.3 | 145.3 | -69.1 | 160.8 | 0 | 0 | 0 | 123.9 | ||||
| 1080 | G | 28.3 | Very low | 31 | Very low | 72 Ų | 72 | 136.5 Ų | 136.5 | 74% | 0.742 | 77% | 0.77 | S | S | * | * | trans | 179.6 | 151.9 | 159.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1081 | T | 35.9 | Very low | 31 | Very low | 141 Ų | 141 | 137.3 Ų | 137.3 | 87% | 0.865 | 76% | 0.761 | S | S | * | * | trans | -140.4 | -180 | 177 | 53.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1082 | P | 38.5 | Very low | 31 | Very low | 117 Ų | 117 | 141.7 Ų | 141.7 | 76% | 0.76 | 76% | 0.757 | S | S | * | * | cis | -151.7 | -173 | 16.3 | 47.8 | -26.2 | 0 | 0 | 0 | 119.9 | ||||
| 1083 | D | 28.2 | Very low | 30.9 | Very low | 150 Ų | 150 | 147.4 Ų | 147.4 | 80% | 0.802 | 76% | 0.763 | S | S | * | * | trans | 75.1 | 136.1 | 139.8 | -148.7 | 18.6 | 0 | 0 | 0 | 127.8 | ||||
| 1084 | S | 29.1 | Very low | 30.9 | Very low | 91 Ų | 91 | 147.1 Ų | 147.1 | 64% | 0.636 | 76% | 0.762 | S | S | * | * | trans | 105.2 | 129.8 | 137.2 | 86.9 | 0 | 0 | 0 | 0 | 125.9 | ||||
| 1085 | R | 30.2 | Very low | 30.7 | Very low | 232 Ų | 232 | 146.8 Ų | 146.8 | 88% | 0.875 | 76% | 0.764 | S | S | * | * | trans | 88.4 | 101.3 | 135.8 | -84.7 | 178.9 | 160.5 | 165.4 | -2 | 127.2 | ||||
| 1086 | D | 30.5 | Very low | 30.5 | Very low | 121 Ų | 121 | 150 Ų | 150 | 65% | 0.647 | 78% | 0.775 | S | S | * | * | 74.4 | 146.7 | 101.6 | -161.1 | 21.6 | 0 | 0 | 0 | 124.9 | |||||
| 1087 | R | 30.3 | Very low | 30.6 | Very low | 214 Ų | 214 | 149.8 Ų | 149.8 | 81% | 0.808 | 77% | 0.774 | S | S | * | * | trans | 90.7 | 158.4 | 164.9 | -56.5 | -179.1 | 173.7 | -163.9 | -1 | 121.6 | ||||
| 1088 | R | 31 | Very low | 31.3 | Very low | 202 Ų | 202 | 152.5 Ų | 152.5 | 76% | 0.762 | 78% | 0.779 | S | S | * | * | cis | -177.2 | 164.4 | -42 | -154.2 | -179.9 | -76 | -163.6 | -3 | 111.3 | ||||
| 1089 | V | 27.5 | Very low | 30.4 | Very low | 123 Ų | 123 | 150 Ų | 150 | 75% | 0.745 | 78% | 0.775 | S | S | * | * | trans | 85.6 | 139.5 | 164.4 | 171.1 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1090 | V | 29.1 | Very low | 30.2 | Very low | 121 Ų | 121 | 149.1 Ų | 149.1 | 73% | 0.733 | 78% | 0.777 | S | S | * | * | cis | 99.4 | 140.4 | 14.4 | 177.6 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1091 | D | 30 | Very low | 30.2 | Very low | 118 Ų | 118 | 149 Ų | 149 | 63% | 0.631 | 78% | 0.777 | S | S | * | * | cis | -154.9 | -173.9 | 13.3 | -123.7 | -2.7 | 0 | 0 | 0 | 107.6 | ||||
| 1092 | R | 28.4 | Very low | 30.2 | Very low | 186 Ų | 186 | 152.9 Ų | 152.9 | 70% | 0.702 | 78% | 0.782 | S | S | * | * | cis | 173.4 | -176.1 | -15.5 | 178.8 | 166.7 | 165.6 | -176.5 | -0.9 | 111.9 | ||||
| 1093 | W | 25.2 | Very low | 29.5 | Very low | 224 Ų | 224 | 150.1 Ų | 150.1 | 85% | 0.848 | 77% | 0.774 | S | S | * | * | trans | 102.4 | -176.9 | 164 | -66.3 | 87.1 | 0 | 0 | 0 | 121 | ||||
| 1094 | K | 26.5 | Very low | 29.8 | Very low | 191 Ų | 191 | 151 Ų | 151 | 83% | 0.83 | 78% | 0.778 | S | S | * | * | -155.2 | 155.8 | -128.4 | -161.3 | -166.1 | -177.1 | -168.8 | 0 | 116.6 | |||||
| 1095 | A | 27.2 | Very low | 30 | Very low | 85 Ų | 85 | 153 Ų | 153 | 70% | 0.702 | 78% | 0.782 | S | S | * | * | trans | 99.3 | 133 | 144.3 | 0 | 0 | 0 | 0 | 0 | 125.3 | ||||
| 1096 | E | 24.9 | Very low | 29.8 | Very low | 200 Ų | 200 | 151.8 Ų | 151.8 | 94% | 0.935 | 78% | 0.779 | S | S | * | * | trans | 82.2 | 174 | 139 | -74.3 | -174.7 | -172.4 | 0 | 0 | 127.3 | ||||
| 1097 | K | 31 | Very low | 29.8 | Very low | 199 Ų | 199 | 153.5 Ų | 153.5 | 87% | 0.865 | 79% | 0.787 | S | S | * | * | trans | -118.5 | -164.9 | -160 | -79.4 | -173.1 | 171.8 | -178.7 | 0 | 111.7 | ||||
| 1098 | P | 44.2 | Very low | 30.7 | Very low | 125 Ų | 125 | 148.8 Ų | 148.8 | 81% | 0.812 | 78% | 0.784 | S | S | * | * | cis | -145.4 | -179.9 | 2.5 | 44.9 | -25 | 0 | 0 | 0 | 120 | ||||
| 1099 | G | 27.7 | Very low | 30.8 | Very low | 66 Ų | 66 | 144 Ų | 144 | 68% | 0.68 | 79% | 0.788 | S | S | * | * | trans | 83.1 | 172.5 | 145.7 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 1100 | T | 31.6 | Very low | 30.9 | Very low | 153 Ų | 153 | 143 Ų | 143 | 94% | 0.939 | 79% | 0.792 | S | S | * | * | -172.9 | 139.1 | -51.6 | 12.4 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 1101 | G | 28.4 | Very low | 31 | Very low | 71 Ų | 71 | 141.5 Ų | 141.5 | 73% | 0.732 | 79% | 0.793 | S | S | * | * | trans | 86.3 | 168.2 | 157.2 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1102 | F | 33.9 | Very low | 31 | Very low | 221 Ų | 221 | 141.5 Ų | 141.5 | 97% | 0.969 | 80% | 0.802 | S | S | * | * | cis | -169.7 | 150.4 | -24.2 | -128.4 | -72.6 | 0 | 0 | 0 | 113.8 | ||||
| 1103 | G | 25.5 | Very low | 31.1 | Very low | 59 Ų | 59 | 137.5 Ų | 137.5 | 61% | 0.608 | 81% | 0.809 | S | S | * | * | trans | 169.3 | 158.3 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1104 | L | 33.5 | Very low | 31.2 | Very low | 169 Ų | 169 | 131.7 Ų | 131.7 | 89% | 0.885 | 81% | 0.808 | S | S | * | * | cis | 99.1 | 138.9 | 6.7 | -62 | 174.4 | 0 | 0 | 0 | 117.2 | ||||
| 1105 | D | 33.1 | Very low | 32.7 | Very low | 133 Ų | 133 | 128.2 Ų | 128.2 | 71% | 0.711 | 81% | 0.805 | S | S | * | * | cis | -170.7 | -180 | -11.4 | -164.5 | 14.6 | 0 | 0 | 0 | 114.2 | ||||
| 1106 | Y | 27.6 | Very low | 33.9 | Very low | 207 Ų | 207 | 128.9 Ų | 128.9 | 81% | 0.812 | 80% | 0.803 | S | S | * | * | trans | 91.9 | 157.3 | 164.7 | -90.8 | -90.5 | 0 | 0 | 0 | 125 | ||||
| 1107 | L | 30.1 | Very low | 34 | Very low | 157 Ų | 157 | 126.1 Ų | 126.1 | 82% | 0.822 | 79% | 0.794 | S | S | * | * | trans | -121.8 | -167.5 | -158.9 | -73.5 | 170.2 | 0 | 0 | 0 | 113.5 | ||||
| 1108 | P | 48.8 | Very low | 33.9 | Very low | 115 Ų | 115 | 122.4 Ų | 122.4 | 75% | 0.747 | 79% | 0.793 | S | S | * | * | cis | -145.1 | 175.1 | 5.1 | 45.3 | -25.5 | 0 | 0 | 0 | 120.7 | ||||
| 1109 | A | 32.3 | Very low | 33.1 | Very low | 102 Ų | 102 | 120.9 Ų | 120.9 | 84% | 0.843 | 79% | 0.785 | S | S | * | * | trans | 42.2 | 152.1 | 142.8 | 0 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 1110 | A | 30.6 | Very low | 33 | Very low | 101 Ų | 101 | 127.8 Ų | 127.8 | 84% | 0.835 | 79% | 0.791 | S | S | * | * | cis | -164.3 | -150.6 | -15.5 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 1111 | A | 30 | Very low | 32.9 | Very low | 90 Ų | 90 | 127.5 Ų | 127.5 | 74% | 0.744 | 78% | 0.779 | S | S | * | * | cis | -174.4 | 174.2 | -8.3 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 1112 | S | 30.4 | Very low | 32.7 | Very low | 117 Ų | 117 | 131.8 Ų | 131.8 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | cis | -173.6 | 154.3 | -35.5 | -78.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1113 | A | 29.8 | Very low | 32.3 | Very low | 102 Ų | 102 | 126.1 Ų | 126.1 | 84% | 0.843 | 77% | 0.774 | S | S | * | * | trans | 86.8 | 128 | 150.6 | 0 | 0 | 0 | 0 | 0 | 126.5 | ||||
| 1114 | A | 29.2 | Very low | 32.2 | Very low | 102 Ų | 102 | 126.6 Ų | 126.6 | 84% | 0.843 | 78% | 0.779 | S | S | * | * | trans | 95.5 | 151.3 | 134.2 | 0 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 1115 | P | 56 | Low | 31.8 | Very low | 118 Ų | 118 | 124.7 Ų | 124.7 | 77% | 0.766 | 78% | 0.78 | S | S | * | * | trans | -120.1 | -146.6 | -167.8 | 37 | -13.1 | 0 | 0 | 0 | 112.3 | ||||
| 1116 | P | 52.7 | Low | 31.5 | Very low | 100 Ų | 100 | 123.3 Ų | 123.3 | 65% | 0.649 | 79% | 0.787 | S | S | * | * | cis | -145.9 | -159.8 | -1.5 | 42.4 | -18.1 | 0 | 0 | 0 | 118.3 | ||||
| 1117 | D | 27 | Very low | 31.3 | Very low | 142 Ų | 142 | 117.2 Ų | 117.2 | 76% | 0.759 | 79% | 0.787 | S | S | * | * | trans | 89.7 | 120.6 | 144.8 | -72.7 | -12.3 | 0 | 0 | 0 | 127.6 | ||||
| 1118 | S | 29.5 | Very low | 31.1 | Very low | 120 Ų | 120 | 115.5 Ų | 115.5 | 84% | 0.839 | 79% | 0.788 | S | S | * | * | trans | 74.1 | 162.1 | 140 | 83.5 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1119 | S | 27 | Very low | 29.9 | Very low | 93 Ų | 93 | 115 Ų | 115 | 65% | 0.65 | 79% | 0.787 | S | S | * | * | cis | -167.6 | 137.9 | -6.6 | 136 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1120 | W | 26.1 | Very low | 29.5 | Very low | 212 Ų | 212 | 120.9 Ų | 120.9 | 80% | 0.803 | 79% | 0.788 | S | S | * | * | trans | 45.4 | 144.7 | 144.4 | -65.8 | 100.1 | 0 | 0 | 0 | 127.6 | ||||
| 1121 | H | 28.9 | Very low | 29.2 | Very low | 146 Ų | 146 | 122.9 Ų | 122.9 | 68% | 0.676 | 79% | 0.79 | S | S | * | * | trans | 62.6 | 165 | 149.9 | -68.8 | -63.7 | 0 | 0 | 0 | 121 | ||||
| 1122 | Q | 25.6 | Very low | 28.9 | Very low | 161 Ų | 161 | 126 Ų | 126 | 75% | 0.752 | 79% | 0.794 | S | S | * | * | cis | -174.2 | 149.4 | -35.4 | 178.3 | 172.2 | -3.4 | 0 | 0 | 111.1 | ||||
| 1123 | A | 24.3 | Very low | 28.6 | Very low | 102 Ų | 102 | 130 Ų | 130 | 84% | 0.843 | 80% | 0.8 | S | S | * | * | trans | 66.3 | 161.7 | 168.9 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1124 | G | 24.2 | Very low | 28.2 | Very low | 70 Ų | 70 | 133.6 Ų | 133.6 | 72% | 0.722 | 80% | 0.799 | S | S | * | * | cis | 163.4 | 144.2 | -16.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1125 | S | 24.4 | Very low | 27.9 | Very low | 128 Ų | 128 | 134.2 Ų | 134.2 | 90% | 0.895 | 80% | 0.797 | S | S | * | * | trans | 71.1 | 157.9 | 158 | -149.6 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 1126 | A | 26.4 | Very low | 26.6 | Very low | 104 Ų | 104 | 134.2 Ų | 134.2 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | trans | 64.6 | 151.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1127 | G | 24.6 | Very low | 25.3 | Very low | 79 Ų | 79 | 137.5 Ų | 137.5 | 81% | 0.814 | 81% | 0.806 | S | S | * | * | cis | -168.1 | 170.4 | -2.2 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 1128 | S | 24.7 | Very low | 25.1 | Very low | 122 Ų | 122 | 139.8 Ų | 139.8 | 85% | 0.853 | 81% | 0.812 | S | S | * | * | trans | -86.4 | 149.1 | -169.3 | 55.6 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1129 | S | 23.8 | Very low | 24.9 | Very low | 103 Ų | 103 | 141.8 Ų | 141.8 | 72% | 0.72 | 81% | 0.808 | S | S | * | * | 177 | 125.8 | 118.7 | -163.1 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 1130 | W | 23.4 | Very low | 24.9 | Very low | 227 Ų | 227 | 143 Ų | 143 | 86% | 0.86 | 82% | 0.817 | S | S | * | * | trans | 27.9 | 123.3 | 145.5 | -64.7 | 69.9 | 0 | 0 | 0 | 122.7 | ||||
| 1131 | T | 25.8 | Very low | 24.9 | Very low | 143 Ų | 143 | 138.2 Ų | 138.2 | 88% | 0.877 | 82% | 0.815 | S | S | * | * | -171.1 | 158.3 | 114.3 | 16.4 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 1132 | N | 23.7 | Very low | 24.8 | Very low | 156 Ų | 156 | 134.9 Ų | 134.9 | 83% | 0.834 | 81% | 0.809 | S | S | * | * | trans | -92.5 | 144.2 | -179.1 | -72.5 | -19.1 | 0 | 0 | 0 | 112.9 | ||||
| 1133 | Q | 22.8 | Very low | 24.9 | Very low | 200 Ų | 200 | 132.4 Ų | 132.4 | 94% | 0.935 | 81% | 0.805 | S | S | * | * | trans | -155.9 | 163.5 | 137.2 | -118.4 | 174.8 | 18.3 | 0 | 0 | 111.3 | ||||
| 1134 | E | 21.6 | Very low | 25.3 | Very low | 178 Ų | 178 | 133.1 Ų | 133.1 | 83% | 0.832 | 80% | 0.798 | S | S | * | * | trans | -108 | 154.7 | -157.8 | -64 | 165.4 | 93.9 | 0 | 0 | 114.9 | ||||
| 1135 | S | 22.8 | Very low | 25.7 | Very low | 115 Ų | 115 | 136.4 Ų | 136.4 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | trans | 72.4 | 161.6 | 153.7 | 81.1 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1136 | P | 29.8 | Very low | 25.9 | Very low | 118 Ų | 118 | 135 Ų | 135 | 77% | 0.766 | 78% | 0.781 | S | S | * | * | cis | -114.2 | 174.5 | -2 | 40.8 | -29.6 | 0 | 0 | 0 | 114.6 | ||||
| 1137 | M | 24.1 | Very low | 25.9 | Very low | 169 Ų | 169 | 134.9 Ų | 134.9 | 83% | 0.833 | 77% | 0.766 | S | S | * | * | trans | -111.4 | 127.5 | 173.5 | 179.5 | 179.2 | 76.7 | 0 | 0 | 108.6 | ||||
| 1138 | E | 24.4 | Very low | 26.1 | Very low | 190 Ų | 190 | 135.5 Ų | 135.5 | 89% | 0.888 | 76% | 0.757 | S | S | * | * | trans | -106.3 | 129.8 | 170.8 | -75.5 | -161.2 | 141.6 | 0 | 0 | 111.4 | ||||
| 1139 | E | 25.2 | Very low | 26.4 | Very low | 162 Ų | 162 | 135.9 Ų | 135.9 | 76% | 0.757 | 75% | 0.749 | S | S | * | * | trans | -83.7 | 127.1 | 176.1 | -56.3 | 175.4 | 105.7 | 0 | 0 | 110.6 | ||||
| 1140 | S | 26.3 | Very low | 26.7 | Very low | 118 Ų | 118 | 136 Ų | 136 | 83% | 0.825 | 74% | 0.737 | S | S | * | * | trans | -163.1 | 69.7 | 164.4 | -87.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1141 | S | 27 | Very low | 27 | Very low | 111 Ų | 111 | 129.5 Ų | 129.5 | 78% | 0.776 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -158.8 | 8.7 | 164.2 | -81.1 | 0 | 0 | 0 | 0 | 115 | ||
| 1142 | S | 26.5 | Very low | 27.4 | Very low | 77 Ų | 77 | 128.9 Ų | 128.9 | 54% | 0.538 | 72% | 0.716 | S | S | . | * | trans | -87.9 | -5.4 | -172.1 | 50.8 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1143 | T | 27.9 | Very low | 28 | Very low | 108 Ų | 108 | 131.9 Ų | 131.9 | 66% | 0.663 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -83 | -22.1 | -168.4 | 46.1 | 0 | 0 | 0 | 0 | 115.2 | ||
| 1144 | V | 31.4 | Very low | 28.3 | Very low | 117 Ų | 117 | 126.1 Ų | 126.1 | 71% | 0.709 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -82.3 | -30.6 | -175.7 | -175.8 | 0 | 0 | 0 | 0 | 112.7 | L1146 | V1144-L1146 VanDerWaalsContact C-N 3.26Å; V1144-L1146 PolarHBondContact O-N 3.27Å |
| 1145 | L | 32.7 | Very low | 28.4 | Very low | 139 Ų | 139 | 122.8 Ų | 122.8 | 73% | 0.728 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -72.2 | -16.3 | -177.8 | -66.9 | 173 | 0 | 0 | 0 | 113.9 | ||
| 1146 | L | 29.3 | Very low | 28.5 | Very low | 100 Ų | 100 | 122.9 Ų | 122.9 | 52% | 0.524 | 69% | 0.694 | S | S | . | * | H | α-helix | trans | -80.6 | -20.2 | -173.6 | -89.5 | 164.1 | 0 | 0 | 0 | 114.5 | V1144 K1150 | V1144-L1146 VanDerWaalsContact C-N 3.26Å; V1144-L1146 PolarHBondContact O-N 3.27Å; L1146-K1150 VanDerWaalsContact O-CD 3.31Å; L1146-K1150 WeakPolarHBondContact O-CD 3.46Å; L1146-K1150 WeakPolarHBondContact O-CE 3.43Å; L1146-K1150 WeakPolarHBondContact O-CG 3.27Å |
| 1147 | D | 25.8 | Very low | 28.4 | Very low | 101 Ų | 101 | 126 Ų | 126 | 54% | 0.54 | 70% | 0.701 | S | S | . | * | H | α-helix | trans | -96.1 | -29.8 | -173.3 | -72.8 | -11.4 | 0 | 0 | 0 | 113.6 | L1149 K1150 S1151 | D1147-L1149 VanDerWaalsContact C-N 3.32Å; D1147-L1149 PolarHBondContact O-N 3.49Å; D1147-K1150 PolarHBondContact O-N 3Å; D1147-K1150 IonicContact OD1-NZ 2.83Å; D1147-K1150 PolarHBondContact OD1-NZ 2.84Å; D1147-S1151 PolarHBondContact O-N 3.35Å |
| 1148 | S | 30 | Very low | 28.7 | Very low | 92 Ų | 92 | 126.1 Ų | 126.1 | 64% | 0.643 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -60.8 | -39.1 | 172.2 | -63.3 | 0 | 0 | 0 | 0 | 112.7 | S1151 | S1148-S1151 WeakPolarHBondContact O-CB 3.4Å; S1148-S1151 PolarHBondContact O-N 2.91Å |
| 1149 | L | 31 | Very low | 29 | Very low | 130 Ų | 130 | 125.5 Ų | 125.5 | 68% | 0.681 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -76.6 | -29.7 | 177.4 | -72.9 | 170.6 | 0 | 0 | 0 | 113.1 | D1147 S1151 | D1147-L1149 VanDerWaalsContact C-N 3.32Å; D1147-L1149 PolarHBondContact O-N 3.49Å; L1149-S1151 VanDerWaalsContact C-N 3.34Å |
| 1150 | K | 29.9 | Very low | 29.3 | Very low | 106 Ų | 106 | 123 Ų | 123 | 46% | 0.461 | 70% | 0.696 | S | S | . | * | H | α-helix | trans | -70.2 | -29.9 | 171.5 | -71.3 | 170.9 | -153.6 | 154.2 | 0 | 112.4 | L1146 D1147 I1152 W1153 S1154 | L1146-K1150 VanDerWaalsContact O-CD 3.31Å; L1146-K1150 WeakPolarHBondContact O-CD 3.46Å; L1146-K1150 WeakPolarHBondContact O-CE 3.43Å; L1146-K1150 WeakPolarHBondContact O-CG 3.27Å; D1147-K1150 PolarHBondContact O-N 3Å; D1147-K1150 IonicContact OD1-NZ 2.83Å; D1147-K1150 PolarHBondContact OD1-NZ 2.84Å; K1150-I1152 PolarHBondContact O-N 3.39Å; K1150-W1153 CarbonylContact O-C 3.6Å; K1150-W1153 PolarHBondContact O-N 2.94Å; K1150-S1154 WeakPolarHBondContact O-CB 3.48Å; K1150-S1154 PolarHBondContact O-N 3.32Å |
| 1151 | S | 29.5 | Very low | 29.9 | Very low | 90 Ų | 90 | 120.3 Ų | 120.3 | 63% | 0.629 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -56.8 | -32.9 | -179.9 | -168.1 | 0 | 0 | 0 | 0 | 113.1 | D1147 S1148 L1149 W1153 | D1147-S1151 PolarHBondContact O-N 3.35Å; S1148-S1151 WeakPolarHBondContact O-CB 3.4Å; S1148-S1151 PolarHBondContact O-N 2.91Å; L1149-S1151 VanDerWaalsContact C-N 3.34Å; S1151-W1153 PolarHBondContact O-N 3.4Å |
| 1152 | I | 34.6 | Very low | 30.8 | Very low | 129 Ų | 129 | 118.5 Ų | 118.5 | 66% | 0.662 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | -20.3 | 177.5 | -57.9 | 178.5 | 0 | 0 | 0 | 112.3 | K1150 | K1150-I1152 PolarHBondContact O-N 3.39Š|
| 1153 | W | 36.4 | Very low | 32 | Very low | 219 Ų | 219 | 117.7 Ų | 117.7 | 83% | 0.83 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.8 | 10.4 | -171.5 | -73.2 | 98.4 | 0 | 0 | 0 | 115.4 | K1150 S1151 | K1150-W1153 CarbonylContact O-C 3.6Å; K1150-W1153 PolarHBondContact O-N 2.94Å; S1151-W1153 PolarHBondContact O-N 3.4Å |
| 1154 | S | 27.2 | Very low | 32.8 | Very low | 80 Ų | 80 | 116.5 Ų | 116.5 | 56% | 0.559 | 67% | 0.668 | S | S | * | * | trans | -143.1 | 113.1 | 179.8 | -167.2 | 0 | 0 | 0 | 0 | 113.8 | K1150 | K1150-S1154 WeakPolarHBondContact O-CB 3.48Å; K1150-S1154 PolarHBondContact O-N 3.32Å | ||
| 1155 | S | 24.6 | Very low | 33.6 | Very low | 107 Ų | 107 | 116.6 Ų | 116.6 | 75% | 0.748 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -155.7 | 109.6 | 160.6 | -78.8 | 0 | 0 | 0 | 0 | 109 | ||
| 1156 | S | 25.1 | Very low | 34.5 | Very low | 117 Ų | 117 | 114.7 Ų | 114.7 | 82% | 0.818 | 65% | 0.651 | S | S | * | * | trans | 65.2 | 74.4 | 177.2 | -152.8 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1157 | M | 27.8 | Very low | 35.6 | Very low | 184 Ų | 184 | 115.2 Ų | 115.2 | 91% | 0.906 | 65% | 0.651 | S | S | * | * | trans | -112.4 | 122.9 | 138 | -81.8 | -168.2 | 175.4 | 0 | 0 | 108.8 | ||||
| 1158 | M | 30.2 | Very low | 37 | Very low | 172 Ų | 172 | 115.4 Ų | 115.4 | 85% | 0.847 | 65% | 0.652 | S | S | * | * | P | Polyproline II helix | trans | -74 | 131.2 | 158 | -67.3 | -113.2 | 73.7 | 0 | 0 | 107.6 | P1160 | M1158-P1160 WeakPolarHBondContact O-CD 3.2Š|
| 1159 | Q | 29.8 | Very low | 38.3 | Very low | 177 Ų | 177 | 115.5 Ų | 115.5 | 83% | 0.827 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 120 | 176.9 | -72.9 | -73.5 | -6.4 | 0 | 0 | 110.2 | ||
| 1160 | P | 32.7 | Very low | 39.7 | Very low | 109 Ų | 109 | 114 Ų | 114 | 71% | 0.708 | 64% | 0.637 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 141.9 | 168.8 | 30.3 | -32.8 | 0 | 0 | 0 | 109.5 | M1158 | M1158-P1160 WeakPolarHBondContact O-CD 3.2Š|
| 1161 | G | 39.6 | Very low | 40.9 | Very low | 61 Ų | 61 | 114.4 Ų | 114.4 | 63% | 0.629 | 64% | 0.64 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 159.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | S1163 | G1161-S1163 PolarHBondContact O-N 3.02Š|
| 1162 | P | 45.3 | Very low | 42 | Very low | 74 Ų | 74 | 115.4 Ų | 115.4 | 48% | 0.481 | 64% | 0.635 | S | S | . | * | P | Polyproline II helix | trans | -56.3 | 138.7 | -177.4 | 23.7 | -34.3 | 0 | 0 | 0 | 111.1 | E1166 Q1167 | P1162-E1166 VanDerWaalsContact CA-OE2 3.31Å; P1162-E1166 WeakPolarHBondContact CA-OE2 3.43Å; P1162-E1166 HydrophobicContact CB-CG 4.16Å; P1162-Q1167 HydrophobicContact CB-CG 4.29Å; P1162-Q1167 HydrophobicContact CG-CG 4.14Å; P1162-Q1167 PolarHBondContact O-NE2 3.24Å |
| 1163 | S | 50.5 | Low | 42.9 | Very low | 59 Ų | 59 | 115.7 Ų | 115.7 | 41% | 0.413 | 63% | 0.631 | S | S | . | * | P | Polyproline II helix | trans | -65.5 | 159.6 | -171.7 | 70.9 | 0 | 0 | 0 | 0 | 112.5 | G1161 L1165 E1166 Q1167 | G1161-S1163 PolarHBondContact O-N 3.02Å; S1163-L1165 PolarHBondContact O-N 2.75Å; S1163-E1166 PolarHBondContact N-OE2 3.28Å; S1163-E1166 WeakPolarHBondContact O-CB 3.44Å; S1163-E1166 PolarHBondContact O-N 3.29Å; S1163-E1166 WeakPolarHBondContact OG-CB 3.47Å; S1163-E1166 PolarHBondContact OG-N 2.99Å; S1163-Q1167 WeakPolarHBondContact O-CG 3.21Å; S1163-Q1167 PolarHBondContact O-N 3.1Å |
| 1164 | A | 46.6 | Very low | 43.3 | Very low | 83 Ų | 83 | 110.5 Ų | 110.5 | 69% | 0.686 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -57.7 | -34.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113 | L1168 | A1164-L1168 WeakPolarHBondContact O-CB 3.44Å; A1164-L1168 PolarHBondContact O-N 3.03Å |
| 1165 | L | 47.2 | Very low | 44.1 | Very low | 119 Ų | 119 | 113.9 Ų | 113.9 | 62% | 0.623 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -69.1 | -38.7 | 175.3 | 179.6 | 61.8 | 0 | 0 | 0 | 112.3 | S1163 L1168 L1169 | S1163-L1165 PolarHBondContact O-N 2.75Å; L1165-L1168 WeakPolarHBondContact O-CB 3.35Å; L1165-L1168 PolarHBondContact O-N 3.44Å; L1165-L1169 HydrophobicContact CG-CD1 4.29Å; L1165-L1169 WeakPolarHBondContact O-CB 3.36Å; L1165-L1169 WeakPolarHBondContact O-CG 3.47Å; L1165-L1169 PolarHBondContact O-N 3.47Å |
| 1166 | E | 51.8 | Low | 45 | Very low | 99 Ų | 99 | 115.3 Ų | 115.3 | 46% | 0.463 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -72.9 | -38.7 | 179.8 | -175.1 | 170 | -138.5 | 0 | 0 | 111.7 | P1162 S1163 L1168 L1169 L1170 | P1162-E1166 VanDerWaalsContact CA-OE2 3.31Å; P1162-E1166 WeakPolarHBondContact CA-OE2 3.43Å; P1162-E1166 HydrophobicContact CB-CG 4.16Å; S1163-E1166 PolarHBondContact N-OE2 3.28Å; S1163-E1166 WeakPolarHBondContact O-CB 3.44Å; S1163-E1166 PolarHBondContact O-N 3.29Å; S1163-E1166 WeakPolarHBondContact OG-CB 3.47Å; S1163-E1166 PolarHBondContact OG-N 2.99Å; E1166-L1168 VanDerWaalsContact C-N 3.35Å; E1166-L1169 PolarHBondContact O-N 3.11Å; E1166-L1170 PolarHBondContact O-N 2.78Å |
| 1167 | Q | 51.8 | Low | 45.9 | Very low | 111 Ų | 111 | 117.1 Ų | 117.1 | 52% | 0.519 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -62.5 | -40.2 | 167.1 | -66.6 | -177.8 | 35.1 | 0 | 0 | 111.6 | P1162 S1163 L1170 Q1171 | P1162-Q1167 HydrophobicContact CB-CG 4.29Å; P1162-Q1167 HydrophobicContact CG-CG 4.14Å; P1162-Q1167 PolarHBondContact O-NE2 3.24Å; S1163-Q1167 WeakPolarHBondContact O-CG 3.21Å; S1163-Q1167 PolarHBondContact O-N 3.1Å; Q1167-L1170 PolarHBondContact O-N 3.14Å; Q1167-Q1171 VanDerWaalsContact O-CB 3.3Å; Q1167-Q1171 WeakPolarHBondContact O-CB 3.4Å; Q1167-Q1171 PolarHBondContact O-N 3.03Å |
| 1168 | L | 54.8 | Low | 46.5 | Very low | 105 Ų | 105 | 118.4 Ų | 118.4 | 55% | 0.55 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -64.2 | -42.3 | 175.4 | -158.6 | 81.1 | 0 | 0 | 0 | 111.5 | A1164 L1165 E1166 Q1171 Q1172 | A1164-L1168 WeakPolarHBondContact O-CB 3.44Å; A1164-L1168 PolarHBondContact O-N 3.03Å; L1165-L1168 WeakPolarHBondContact O-CB 3.35Å; L1165-L1168 PolarHBondContact O-N 3.44Å; E1166-L1168 VanDerWaalsContact C-N 3.35Å; L1168-Q1171 PolarHBondContact O-N 3.09Å; L1168-Q1172 WeakPolarHBondContact O-CB 3.46Å; L1168-Q1172 PolarHBondContact O-N 3.3Å |
| 1169 | L | 57.7 | Low | 46.9 | Very low | 94 Ų | 94 | 113 Ų | 113 | 49% | 0.492 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -66.3 | -40.7 | 175.8 | -79.8 | 163.6 | 0 | 0 | 0 | 112.3 | L1165 E1166 Q1171 Q1172 K1173 | L1165-L1169 HydrophobicContact CG-CD1 4.29Å; L1165-L1169 WeakPolarHBondContact O-CB 3.36Å; L1165-L1169 WeakPolarHBondContact O-CG 3.47Å; L1165-L1169 PolarHBondContact O-N 3.47Å; E1166-L1169 PolarHBondContact O-N 3.11Å; L1169-Q1171 VanDerWaalsContact C-N 3.35Å; L1169-Q1172 PolarHBondContact O-N 2.83Å; L1169-K1173 VanDerWaalsContact O-CB 3.27Å; L1169-K1173 WeakPolarHBondContact O-CB 3.33Å; L1169-K1173 PolarHBondContact O-N 3.31Å |
| 1170 | L | 61.5 | Low | 47.4 | Very low | 100 Ų | 100 | 113.8 Ų | 113.8 | 52% | 0.524 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -61.4 | -43.3 | 170.8 | -104.6 | 68.5 | 0 | 0 | 0 | 111.4 | E1166 Q1167 K1173 Q1174 | E1166-L1170 PolarHBondContact O-N 2.78Å; Q1167-L1170 PolarHBondContact O-N 3.14Å; L1170-K1173 PolarHBondContact O-N 3.13Å; L1170-Q1174 WeakPolarHBondContact O-CB 3.41Å; L1170-Q1174 WeakPolarHBondContact O-CG 3.45Å; L1170-Q1174 PolarHBondContact O-N 3Å |
| 1171 | Q | 53.4 | Low | 47.3 | Very low | 113 Ų | 113 | 112.3 Ų | 112.3 | 53% | 0.528 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -67.7 | -34.6 | 178.3 | -165.2 | 179 | 109.6 | 0 | 0 | 112.2 | Q1167 L1168 L1169 K1175 | Q1167-Q1171 VanDerWaalsContact O-CB 3.3Å; Q1167-Q1171 WeakPolarHBondContact O-CB 3.4Å; Q1167-Q1171 PolarHBondContact O-N 3.03Å; L1168-Q1171 PolarHBondContact O-N 3.09Å; L1169-Q1171 VanDerWaalsContact C-N 3.35Å; Q1171-K1175 WeakPolarHBondContact O-CB 3.39Å; Q1171-K1175 PolarHBondContact O-N 2.82Å |
| 1172 | Q | 53.1 | Low | 47 | Very low | 112 Ų | 112 | 113.8 Ų | 113.8 | 52% | 0.523 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -70.3 | -41.4 | 174.1 | -165.7 | 175.5 | 23.8 | 0 | 0 | 111.4 | L1168 L1169 K1175 L1176 | L1168-Q1172 WeakPolarHBondContact O-CB 3.46Å; L1168-Q1172 PolarHBondContact O-N 3.3Å; L1169-Q1172 PolarHBondContact O-N 2.83Å; Q1172-K1175 PolarHBondContact O-N 3.42Å; Q1172-L1176 HydrophobicContact CG-CD1 4.47Å; Q1172-L1176 WeakPolarHBondContact O-CG 3.31Å; Q1172-L1176 PolarHBondContact O-N 3.33Å |
| 1173 | K | 53.4 | Low | 46.4 | Very low | 135 Ų | 135 | 118.2 Ų | 118.2 | 59% | 0.587 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -60.4 | -43 | 172.3 | -170.7 | 175.2 | -178 | 179.1 | 0 | 111.4 | L1169 L1170 L1176 Q1177 | L1169-K1173 VanDerWaalsContact O-CB 3.27Å; L1169-K1173 WeakPolarHBondContact O-CB 3.33Å; L1169-K1173 PolarHBondContact O-N 3.31Å; L1170-K1173 PolarHBondContact O-N 3.13Å; K1173-L1176 PolarHBondContact O-N 3.05Å; K1173-Q1177 WeakPolarHBondContact O-CG 3.37Å; K1173-Q1177 PolarHBondContact O-N 2.84Å |
| 1174 | Q | 44.6 | Very low | 45.3 | Very low | 110 Ų | 110 | 122 Ų | 122 | 51% | 0.514 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -68.2 | -34.6 | 173.9 | -73.7 | -179 | 3.6 | 0 | 0 | 113.5 | L1170 R1178 | L1170-Q1174 WeakPolarHBondContact O-CB 3.41Å; L1170-Q1174 WeakPolarHBondContact O-CG 3.45Å; L1170-Q1174 PolarHBondContact O-N 3Å; Q1174-R1178 PolarHBondContact O-N 2.78Å |
| 1175 | K | 44.6 | Very low | 44.8 | Very low | 151 Ų | 151 | 123.1 Ų | 123.1 | 66% | 0.657 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -65.1 | -45.7 | 171.7 | -91.9 | -176.3 | 172.4 | 176.6 | 0 | 111.7 | Q1171 Q1172 Q1177 R1178 G1179 | Q1171-K1175 WeakPolarHBondContact O-CB 3.39Å; Q1171-K1175 PolarHBondContact O-N 2.82Å; Q1172-K1175 PolarHBondContact O-N 3.42Å; K1175-Q1177 VanDerWaalsContact C-N 3.33Å; K1175-Q1177 PolarHBondContact O-N 2.74Å; K1175-R1178 PolarHBondContact O-N 3.03Å; K1175-R1178 VanDerWaalsContact O-N 3.12Å; K1175-G1179 PolarHBondContact O-N 2.99Å |
| 1176 | L | 43.7 | Very low | 44.6 | Very low | 137 Ų | 137 | 122.9 Ų | 122.9 | 72% | 0.717 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -61.6 | -39.9 | 176.9 | -74.2 | 164.2 | 0 | 0 | 0 | 111.8 | Q1172 K1173 R1178 G1179 | Q1172-L1176 HydrophobicContact CG-CD1 4.47Å; Q1172-L1176 WeakPolarHBondContact O-CG 3.31Å; Q1172-L1176 PolarHBondContact O-N 3.33Å; K1173-L1176 PolarHBondContact O-N 3.05Å; L1176-R1178 VanDerWaalsContact C-N 3.26Å; L1176-R1178 PolarHBondContact O-N 2.86Å; L1176-G1179 PolarHBondContact O-N 2.86Å |
| 1177 | Q | 43.8 | Very low | 43.7 | Very low | 154 Ų | 154 | 130.1 Ų | 130.1 | 72% | 0.72 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | -8 | 175.8 | -73.1 | -178 | -29.7 | 0 | 0 | 115 | K1173 K1175 | K1173-Q1177 WeakPolarHBondContact O-CG 3.37Å; K1173-Q1177 PolarHBondContact O-N 2.84Å; K1175-Q1177 VanDerWaalsContact C-N 3.33Å; K1175-Q1177 PolarHBondContact O-N 2.74Å |
| 1178 | R | 40.6 | Very low | 43.3 | Very low | 212 Ų | 212 | 131.1 Ų | 131.1 | 80% | 0.8 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.2 | 6.8 | 173.3 | -74.7 | -176.7 | 174.4 | 166.3 | 0.7 | 113.7 | Q1174 K1175 L1176 H1180 | Q1174-R1178 PolarHBondContact O-N 2.78Å; K1175-R1178 PolarHBondContact O-N 3.03Å; K1175-R1178 VanDerWaalsContact O-N 3.12Å; L1176-R1178 VanDerWaalsContact C-N 3.26Å; L1176-R1178 PolarHBondContact O-N 2.86Å; R1178-H1180 PolarHBondContact O-N 2.8Å |
| 1179 | G | 38.1 | Very low | 42.7 | Very low | 57 Ų | 57 | 132.4 Ų | 132.4 | 59% | 0.588 | 70% | 0.699 | S | S | * | * | trans | -74.7 | 36.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | K1175 L1176 | K1175-G1179 PolarHBondContact O-N 2.99Å; L1176-G1179 PolarHBondContact O-N 2.86Å | ||
| 1180 | H | 39.8 | Very low | 41.8 | Very low | 194 Ų | 194 | 134.6 Ų | 134.6 | 90% | 0.898 | 71% | 0.71 | S | S | * | * | trans | -135.4 | 89.3 | 173.3 | -91 | 34.9 | 0 | 0 | 0 | 110 | R1178 | R1178-H1180 PolarHBondContact O-N 2.8Š| ||
| 1181 | G | 31.2 | Very low | 40.7 | Very low | 79 Ų | 79 | 136.6 Ų | 136.6 | 81% | 0.814 | 72% | 0.721 | S | S | * | * | trans | 173.5 | 145.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1182 | A | 33.8 | Very low | 39.9 | Very low | 92 Ų | 92 | 138.1 Ų | 138.1 | 76% | 0.76 | 73% | 0.733 | S | S | * | * | trans | -121 | 157.6 | -163.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1183 | M | 32.8 | Very low | 39 | Very low | 166 Ų | 166 | 139.8 Ų | 139.8 | 82% | 0.818 | 75% | 0.747 | S | S | * | * | trans | 67.1 | 149.4 | 172.1 | -56 | -63.1 | -165.8 | 0 | 0 | 114.9 | ||||
| 1184 | N | 27.8 | Very low | 38 | Very low | 138 Ų | 138 | 140.1 Ų | 140.1 | 74% | 0.738 | 76% | 0.759 | S | S | * | * | cis | -144.2 | 161.5 | 3.3 | -106.7 | -29.7 | 0 | 0 | 0 | 110.4 | ||||
| 1185 | P | 36 | Very low | 37.5 | Very low | 108 Ų | 108 | 142.5 Ų | 142.5 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | trans | -92.7 | -177.5 | 164.7 | 40 | -35.2 | 0 | 0 | 0 | 111.6 | ||||
| 1186 | P | 42.5 | Very low | 36.9 | Very low | 113 Ų | 113 | 141.8 Ų | 141.8 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | cis | -120.9 | -172.8 | -34.9 | 38.8 | -25.3 | 0 | 0 | 0 | 110.9 | ||||
| 1187 | H | 32.5 | Very low | 36.3 | Very low | 251 Ų | 251 | 142.2 Ų | 142.2 | 100% | 1.162 | 79% | 0.794 | S | S | * | * | -157.3 | 0 | 128.7 | -131.3 | -52.7 | 0 | 0 | 0 | 114 |
Retrieved 1,187 of 1,187 residues in 310.5 ms
(Link to these results)