| 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 | 54.2 | Low | 75.8 | Confident | 206 Ų | 206 | 105.6 Ų | 105.6 | 100% | 1.015 | 52% | 0.517 | S | S | * | . | 0 | -47.1 | 0 | -108.9 | -173.5 | -83.4 | 0 | 0 | 113.4 | S3 W4 R5 | M1-S3 PolarHBondContact O-N 3.28Å; M1-W4 PolarHBondContact O-N 3.3Å; M1-R5 PolarHBondContact O-N 3.24Å; M1-R5 VanDerWaalsContact O-N 3.1Å | |||
| 2 | I | 64.7 | Low | 76.2 | Confident | 134 Ų | 134 | 103.9 Ų | 103.9 | 69% | 0.687 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -60.4 | -43.8 | -178.6 | -62.2 | 170.8 | 0 | 0 | 0 | 112.6 | W4 R5 N6 | I2-W4 PolarHBondContact O-N 2.87Å; I2-R5 PolarHBondContact O-N 3.42Å; I2-N6 PolarHBondContact O-N 2.93Å |
| 3 | S | 74.8 | Confident | 76.7 | Confident | 80 Ų | 80 | 98.5 Ų | 98.5 | 56% | 0.559 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -65.4 | -39.7 | 179.6 | 70.5 | 0 | 0 | 0 | 0 | 113 | M1 N6 N7 | M1-S3 PolarHBondContact O-N 3.28Å; S3-N6 PolarHBondContact O-N 2.81Å; S3-N7 VanDerWaalsContact O-CB 3.26Å; S3-N7 WeakPolarHBondContact O-CB 3.4Å; S3-N7 PolarHBondContact O-N 3.03Å; S3-N7 PolarHBondContact O-ND2 2.93Å; S3-N7 PolarHBondContact O-OD1 3.33Å |
| 4 | W | 72.7 | Confident | 77.3 | Confident | 109 Ų | 109 | 101.1 Ų | 101.1 | 41% | 0.413 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.8 | -45.3 | 176.1 | 175.2 | 85.7 | 0 | 0 | 0 | 111.4 | M1 I2 N6 N7 M8 F17 | M1-W4 PolarHBondContact O-N 3.3Å; I2-W4 PolarHBondContact O-N 2.87Å; W4-N6 PolarHBondContact O-N 3.25Å; W4-N7 PolarHBondContact O-N 3.07Å; W4-M8 HydrophobicContact CD2-CG 3.86Å; W4-M8 VanDerWaalsContact CE2-CG 3.44Å; W4-M8 HydrophobicContact CE3-CG 4.42Å; W4-M8 HydrophobicContact CG-CG 4.27Å; W4-M8 HydrophobicContact CH2-CG 4.27Å; W4-M8 HydrophobicContact CZ2-CE 3.99Å; W4-M8 HydrophobicContact CZ2-CG 3.69Å; W4-M8 HydrophobicContact CZ2-SD 4.17Å; W4-M8 WeakPolarHBondContact O-CB 3.43Å; W4-M8 WeakPolarHBondContact O-CG 3.48Å; W4-M8 PolarHBondContact O-N 3.26Å; W4-F17 HydrophobicContact CE3-CE2 4.43Å; W4-F17 AromaticContact CH2-CE2 3.99Å; W4-F17 HydrophobicContact CH2-CE2 3.99Å; W4-F17 AromaticContact CZ3-CE2 3.74Å; W4-F17 HydrophobicContact CZ3-CE2 3.74Å; W4-F17 HydrophobicContact CZ3-CZ 4.04Å |
| 5 | R | 76.2 | Confident | 77.6 | Confident | 130 Ų | 130 | 105 Ų | 105 | 49% | 0.491 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -57.1 | -50.5 | 176.5 | 171.3 | 169.3 | -172.5 | 169.7 | 5.1 | 110.7 | M1 I2 M8 I9 F17 | M1-R5 PolarHBondContact O-N 3.24Å; M1-R5 VanDerWaalsContact O-N 3.1Å; I2-R5 PolarHBondContact O-N 3.42Å; R5-M8 PolarHBondContact O-N 2.7Å; R5-I9 HydrophobicContact CG-CD1 3.76Å; R5-I9 WeakPolarHBondContact O-CB 3.48Å; R5-I9 VanDerWaalsContact O-CG1 3.26Å; R5-I9 WeakPolarHBondContact O-CG1 3.47Å; R5-I9 PolarHBondContact O-N 2.91Å; R5-F17 HydrophobicContact CB-CZ 4.1Å; R5-F17 HydrophobicContact CG-CE1 3.82Å; R5-F17 HydrophobicContact CG-CE2 4.42Å; R5-F17 HydrophobicContact CG-CZ 3.59Å |
| 6 | N | 83 | Confident | 77.3 | Confident | 79 Ų | 79 | 102.9 Ų | 102.9 | 42% | 0.422 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.2 | -46.8 | 179.9 | -66.9 | -5.1 | 0 | 0 | 0 | 111.1 | I2 S3 W4 M8 I9 D10 | I2-N6 PolarHBondContact O-N 2.93Å; S3-N6 PolarHBondContact O-N 2.81Å; W4-N6 PolarHBondContact O-N 3.25Å; N6-M8 VanDerWaalsContact C-N 3.28Å; N6-M8 PolarHBondContact O-N 3.49Å; N6-I9 CarbonylContact O-C 3.56Å; N6-I9 WeakPolarHBondContact O-CB 3.26Å; N6-I9 PolarHBondContact O-N 2.85Å; N6-I9 VanDerWaalsContact O-N 3.08Å; N6-D10 PolarHBondContact O-N 3.05Å |
| 7 | N | 81 | Confident | 77.3 | Confident | 91 Ų | 91 | 97.2 Ų | 97.2 | 49% | 0.487 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -59.9 | -36.6 | 177.5 | -68.4 | -12.3 | 0 | 0 | 0 | 113 | S3 W4 K11 | S3-N7 VanDerWaalsContact O-CB 3.26Å; S3-N7 WeakPolarHBondContact O-CB 3.4Å; S3-N7 PolarHBondContact O-N 3.03Å; S3-N7 PolarHBondContact O-ND2 2.93Å; S3-N7 PolarHBondContact O-OD1 3.33Å; W4-N7 PolarHBondContact O-N 3.07Å; N7-K11 VanDerWaalsContact O-CB 3.25Å; N7-K11 WeakPolarHBondContact O-CB 3.27Å; N7-K11 PolarHBondContact O-N 3.23Å |
| 8 | M | 75.2 | Confident | 77.2 | Confident | 20 Ų | 20 | 95.3 Ų | 95.3 | 10% | 0.099 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -73.6 | -36.1 | 176.7 | -68.4 | -71.8 | -68.3 | 0 | 0 | 111.7 | W4 R5 N6 Y12 F17 L20 | W4-M8 HydrophobicContact CD2-CG 3.86Å; W4-M8 VanDerWaalsContact CE2-CG 3.44Å; W4-M8 HydrophobicContact CE3-CG 4.42Å; W4-M8 HydrophobicContact CG-CG 4.27Å; W4-M8 HydrophobicContact CH2-CG 4.27Å; W4-M8 HydrophobicContact CZ2-CE 3.99Å; W4-M8 HydrophobicContact CZ2-CG 3.69Å; W4-M8 HydrophobicContact CZ2-SD 4.17Å; W4-M8 WeakPolarHBondContact O-CB 3.43Å; W4-M8 WeakPolarHBondContact O-CG 3.48Å; W4-M8 PolarHBondContact O-N 3.26Å; R5-M8 PolarHBondContact O-N 2.7Å; N6-M8 VanDerWaalsContact C-N 3.28Å; N6-M8 PolarHBondContact O-N 3.49Å; M8-Y12 HydrophobicContact CE-CD2 3.78Å; M8-Y12 HydrophobicContact CE-CE2 3.46Å; M8-Y12 VanDerWaalsContact CE-CE2 3.46Å; M8-Y12 WeakPolarHBondContact O-CD2 3.43Å; M8-Y12 PolarHBondContact O-N 2.78Å; M8-Y12 HydrophobicContact SD-CD2 4.2Å; M8-Y12 HydrophobicContact SD-CE2 3.75Å; M8-F17 HydrophobicContact CB-CD2 3.45Å; M8-F17 VanDerWaalsContact CB-CD2 3.45Å; M8-F17 HydrophobicContact CB-CE2 3.66Å; M8-F17 HydrophobicContact CG-CE2 4.4Å; M8-L20 HydrophobicContact CE-CD1 3.73Å; M8-L20 HydrophobicContact CE-CD2 4.31Å |
| 9 | I | 83.2 | Confident | 76.8 | Confident | 35 Ų | 35 | 94.3 Ų | 94.3 | 18% | 0.179 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -64.6 | -41.9 | 172.2 | -70.8 | 168.9 | 0 | 0 | 0 | 110.5 | R5 N6 G13 K14 F17 | R5-I9 HydrophobicContact CG-CD1 3.76Å; R5-I9 WeakPolarHBondContact O-CB 3.48Å; R5-I9 VanDerWaalsContact O-CG1 3.26Å; R5-I9 WeakPolarHBondContact O-CG1 3.47Å; R5-I9 PolarHBondContact O-N 2.91Å; N6-I9 CarbonylContact O-C 3.56Å; N6-I9 WeakPolarHBondContact O-CB 3.26Å; N6-I9 PolarHBondContact O-N 2.85Å; N6-I9 VanDerWaalsContact O-N 3.08Å; I9-G13 CarbonylContact O-C 3.58Å; I9-G13 WeakPolarHBondContact O-CA 3.35Å; I9-G13 PolarHBondContact O-N 3.13Å; I9-K14 HydrophobicContact CG2-CB 4.02Å; I9-F17 HydrophobicContact CD1-CD1 3.83Å; I9-F17 HydrophobicContact CD1-CE1 4.07Å; I9-F17 HydrophobicContact CD1-CG 4.32Å; I9-F17 HydrophobicContact CG1-CB 3.72Å; I9-F17 HydrophobicContact CG1-CD1 3.45Å; I9-F17 VanDerWaalsContact CG1-CD1 3.45Å; I9-F17 HydrophobicContact CG1-CD2 4.06Å; I9-F17 HydrophobicContact CG1-CE1 4.06Å; I9-F17 HydrophobicContact CG1-CG 3.44Å; I9-F17 VanDerWaalsContact CG1-CG 3.44Å |
| 10 | D | 85.9 | Confident | 76.2 | Confident | 126 Ų | 126 | 90.9 Ų | 90.9 | 67% | 0.674 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -68.1 | -40.5 | 178.6 | -65.2 | -20.3 | 0 | 0 | 0 | 111.2 | N6 | N6-D10 PolarHBondContact O-N 3.05Å |
| 11 | K | 82.8 | Confident | 75.7 | Confident | 152 Ų | 152 | 90.8 Ų | 90.8 | 66% | 0.661 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -72.5 | -42 | -178.9 | -174.3 | 174.1 | -178.9 | -177.9 | 0 | 113.5 | N7 | N7-K11 VanDerWaalsContact O-CB 3.25Å; N7-K11 WeakPolarHBondContact O-CB 3.27Å; N7-K11 PolarHBondContact O-N 3.23Å |
| 12 | Y | 80.2 | Confident | 76 | Confident | 85 Ų | 85 | 84.8 Ų | 84.8 | 33% | 0.333 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -108.8 | -11.8 | -172.9 | -61.7 | -69.2 | 0 | 0 | 0 | 113.5 | M8 N16 | M8-Y12 HydrophobicContact CE-CD2 3.78Å; M8-Y12 HydrophobicContact CE-CE2 3.46Å; M8-Y12 VanDerWaalsContact CE-CE2 3.46Å; M8-Y12 WeakPolarHBondContact O-CD2 3.43Å; M8-Y12 PolarHBondContact O-N 2.78Å; M8-Y12 HydrophobicContact SD-CD2 4.2Å; M8-Y12 HydrophobicContact SD-CE2 3.75Å; Y12-N16 VanDerWaalsContact O-CB 3.29Å; Y12-N16 WeakPolarHBondContact O-CB 3.39Å; Y12-N16 PolarHBondContact O-ND2 2.92Å |
| 13 | G | 83.6 | Confident | 75.5 | Confident | 33 Ų | 33 | 80.3 Ų | 80.3 | 34% | 0.34 | 41% | 0.412 | S | S | . | . | trans | 81.6 | 146.7 | -167.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | I9 K15 N16 F17 | I9-G13 CarbonylContact O-C 3.58Å; I9-G13 WeakPolarHBondContact O-CA 3.35Å; I9-G13 PolarHBondContact O-N 3.13Å; G13-K15 VanDerWaalsContact C-N 3.28Å; G13-K15 PolarHBondContact O-N 3.46Å; G13-N16 PolarHBondContact O-N 3.39Å; G13-N16 VanDerWaalsContact O-N 3.1Å; G13-F17 PolarHBondContact O-N 2.95Å | ||
| 14 | K | 84.5 | Confident | 74.4 | Confident | 136 Ų | 136 | 81.2 Ų | 81.2 | 59% | 0.591 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -52.4 | -42.9 | -178.3 | -173.9 | 178.1 | 177.9 | -176.9 | 0 | 113 | I9 N16 F17 D18 | I9-K14 HydrophobicContact CG2-CB 4.02Å; K14-N16 PolarHBondContact O-N 2.91Å; K14-F17 PolarHBondContact O-N 3.46Å; K14-D18 WeakPolarHBondContact O-CB 3.43Å; K14-D18 PolarHBondContact O-N 2.83Å |
| 15 | K | 81.5 | Confident | 73.5 | Confident | 159 Ų | 159 | 77.9 Ų | 77.9 | 69% | 0.691 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -61.1 | -42.2 | 179.8 | -172.5 | 177 | -178.6 | 178.1 | 0 | 112.5 | G13 K19 | G13-K15 VanDerWaalsContact C-N 3.28Å; G13-K15 PolarHBondContact O-N 3.46Å; K15-K19 VanDerWaalsContact O-CG 3.3Å; K15-K19 WeakPolarHBondContact O-CG 3.32Å; K15-K19 PolarHBondContact O-N 3.13Å; K15-K19 VanDerWaalsContact O-N 3.09Å |
| 16 | N | 73.3 | Confident | 72.3 | Confident | 71 Ų | 71 | 74.6 Ų | 74.6 | 38% | 0.38 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -77.9 | -34 | 178.3 | -64.5 | -28.5 | 0 | 0 | 0 | 111.5 | Y12 G13 K14 K19 L20 | Y12-N16 VanDerWaalsContact O-CB 3.29Å; Y12-N16 WeakPolarHBondContact O-CB 3.39Å; Y12-N16 PolarHBondContact O-ND2 2.92Å; G13-N16 PolarHBondContact O-N 3.39Å; G13-N16 VanDerWaalsContact O-N 3.1Å; K14-N16 PolarHBondContact O-N 2.91Å; N16-K19 PolarHBondContact O-N 3.27Å; N16-L20 VanDerWaalsContact O-CB 3.25Å; N16-L20 WeakPolarHBondContact O-CB 3.25Å; N16-L20 PolarHBondContact O-N 3.2Å |
| 17 | F | 78 | Confident | 71 | Confident | 6 Ų | 6 | 78.7 Ų | 78.7 | 3% | 0.026 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -59.9 | -46.7 | 170.3 | 177 | -98.7 | 0 | 0 | 0 | 111.7 | W4 R5 M8 I9 G13 K14 K19 L20 V21 | W4-F17 HydrophobicContact CE3-CE2 4.43Å; W4-F17 AromaticContact CH2-CE2 3.99Å; W4-F17 HydrophobicContact CH2-CE2 3.99Å; W4-F17 AromaticContact CZ3-CE2 3.74Å; W4-F17 HydrophobicContact CZ3-CE2 3.74Å; W4-F17 HydrophobicContact CZ3-CZ 4.04Å; R5-F17 HydrophobicContact CB-CZ 4.1Å; R5-F17 HydrophobicContact CG-CE1 3.82Å; R5-F17 HydrophobicContact CG-CE2 4.42Å; R5-F17 HydrophobicContact CG-CZ 3.59Å; M8-F17 HydrophobicContact CB-CD2 3.45Å; M8-F17 VanDerWaalsContact CB-CD2 3.45Å; M8-F17 HydrophobicContact CB-CE2 3.66Å; M8-F17 HydrophobicContact CG-CE2 4.4Å; I9-F17 HydrophobicContact CD1-CD1 3.83Å; I9-F17 HydrophobicContact CD1-CE1 4.07Å; I9-F17 HydrophobicContact CD1-CG 4.32Å; I9-F17 HydrophobicContact CG1-CB 3.72Å; I9-F17 HydrophobicContact CG1-CD1 3.45Å; I9-F17 VanDerWaalsContact CG1-CD1 3.45Å; I9-F17 HydrophobicContact CG1-CD2 4.06Å; I9-F17 HydrophobicContact CG1-CE1 4.06Å; I9-F17 HydrophobicContact CG1-CG 3.44Å; I9-F17 VanDerWaalsContact CG1-CG 3.44Å; G13-F17 PolarHBondContact O-N 2.95Å; K14-F17 PolarHBondContact O-N 3.46Å; F17-K19 VanDerWaalsContact C-N 3.32Å; F17-K19 PolarHBondContact O-N 3.08Å; F17-L20 WeakPolarHBondContact O-CB 3.48Å; F17-L20 PolarHBondContact O-N 3.37Å; F17-L20 VanDerWaalsContact O-N 3.13Å; F17-V21 HydrophobicContact CD1-CG2 4.19Å; F17-V21 HydrophobicContact CD2-CG2 4.19Å; F17-V21 HydrophobicContact CE1-CG2 3.67Å; F17-V21 HydrophobicContact CE2-CG2 3.7Å; F17-V21 HydrophobicContact CG-CG2 4.44Å; F17-V21 HydrophobicContact CZ-CG2 3.41Å; F17-V21 VanDerWaalsContact CZ-CG2 3.41Å; F17-V21 WeakPolarHBondContact O-CG2 3.48Å; F17-V21 PolarHBondContact O-N 3.09Å |
| 18 | D | 75.3 | Confident | 70 | Confident | 64 Ų | 64 | 78.4 Ų | 78.4 | 34% | 0.342 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -63.2 | -41 | 178.6 | -70.8 | -19.4 | 0 | 0 | 0 | 110.2 | K14 V21 S22 | K14-D18 WeakPolarHBondContact O-CB 3.43Å; K14-D18 PolarHBondContact O-N 2.83Å; D18-V21 PolarHBondContact O-N 3.48Å; D18-S22 WeakPolarHBondContact O-CB 3.48Å; D18-S22 PolarHBondContact O-N 3.17Å; D18-S22 PolarHBondContact O-OG 3.41Å |
| 19 | K | 68.8 | Low | 69.3 | Low | 76 Ų | 76 | 82.2 Ų | 82.2 | 33% | 0.33 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -61.7 | -42.9 | 171.6 | -71.5 | 176.4 | 174.7 | -173.9 | 0 | 112.4 | K15 N16 F17 V21 S22 G23 V24 D25 | K15-K19 VanDerWaalsContact O-CG 3.3Å; K15-K19 WeakPolarHBondContact O-CG 3.32Å; K15-K19 PolarHBondContact O-N 3.13Å; K15-K19 VanDerWaalsContact O-N 3.09Å; N16-K19 PolarHBondContact O-N 3.27Å; F17-K19 VanDerWaalsContact C-N 3.32Å; F17-K19 PolarHBondContact O-N 3.08Å; K19-V21 PolarHBondContact O-N 3.05Å; K19-S22 WeakPolarHBondContact CA-OG 3.41Å; K19-S22 PolarHBondContact O-OG 2.79Å; K19-G23 CarbonylContact O-C 3.6Å; K19-G23 PolarHBondContact O-N 2.79Å; K19-V24 HydrophobicContact CB-CB 4.25Å; K19-V24 HydrophobicContact CG-CB 4.26Å; K19-V24 HydrophobicContact CG-CG1 4.13Å; K19-V24 PolarHBondContact O-N 3.48Å; K19-D25 HydrophobicContact CB-CB 3.76Å; K19-D25 PolarHBondContact O-N 2.81Å |
| 20 | L | 66 | Low | 68.8 | Low | 26 Ų | 26 | 82.1 Ų | 82.1 | 14% | 0.136 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -63 | -40.6 | 178.6 | -174.6 | 155 | 0 | 0 | 0 | 111.8 | M8 N16 F17 L28 | M8-L20 HydrophobicContact CE-CD1 3.73Å; M8-L20 HydrophobicContact CE-CD2 4.31Å; N16-L20 VanDerWaalsContact O-CB 3.25Å; N16-L20 WeakPolarHBondContact O-CB 3.25Å; N16-L20 PolarHBondContact O-N 3.2Å; F17-L20 WeakPolarHBondContact O-CB 3.48Å; F17-L20 PolarHBondContact O-N 3.37Å; F17-L20 VanDerWaalsContact O-N 3.13Å; L20-L28 HydrophobicContact CD1-CD1 4.28Å |
| 21 | V | 65.8 | Low | 68.4 | Low | 89 Ų | 89 | 80 Ų | 80 | 54% | 0.539 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -79.9 | -37.7 | 179.8 | 174.8 | 0 | 0 | 0 | 0 | 112.5 | F17 D18 K19 G23 | F17-V21 HydrophobicContact CD1-CG2 4.19Å; F17-V21 HydrophobicContact CD2-CG2 4.19Å; F17-V21 HydrophobicContact CE1-CG2 3.67Å; F17-V21 HydrophobicContact CE2-CG2 3.7Å; F17-V21 HydrophobicContact CG-CG2 4.44Å; F17-V21 HydrophobicContact CZ-CG2 3.41Å; F17-V21 VanDerWaalsContact CZ-CG2 3.41Å; F17-V21 WeakPolarHBondContact O-CG2 3.48Å; F17-V21 PolarHBondContact O-N 3.09Å; D18-V21 PolarHBondContact O-N 3.48Å; K19-V21 PolarHBondContact O-N 3.05Å; V21-G23 PolarHBondContact O-N 3.19Å |
| 22 | S | 58.9 | Low | 68.3 | Low | 79 Ų | 79 | 79.2 Ų | 79.2 | 55% | 0.552 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | -2.5 | 177.7 | 59.3 | 0 | 0 | 0 | 0 | 113.7 | D18 K19 V24 | D18-S22 WeakPolarHBondContact O-CB 3.48Å; D18-S22 PolarHBondContact O-N 3.17Å; D18-S22 PolarHBondContact O-OG 3.41Å; K19-S22 WeakPolarHBondContact CA-OG 3.41Å; K19-S22 PolarHBondContact O-OG 2.79Å; S22-V24 PolarHBondContact O-N 2.82Å; S22-V24 WeakPolarHBondContact OG-CG2 3.42Å |
| 23 | G | 54.7 | Low | 68.5 | Low | 40 Ų | 40 | 80.5 Ų | 80.5 | 41% | 0.412 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.3 | 4.3 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114 | K19 V21 S26 | K19-G23 CarbonylContact O-C 3.6Å; K19-G23 PolarHBondContact O-N 2.79Å; V21-G23 PolarHBondContact O-N 3.19Å; G23-S26 WeakPolarHBondContact O-CA 3.26Å; G23-S26 PolarHBondContact O-N 3.43Å |
| 24 | V | 52 | Low | 68.7 | Low | 99 Ų | 99 | 85 Ų | 85 | 60% | 0.6 | 43% | 0.434 | S | S | * | . | trans | -73.8 | -29.2 | 179.2 | 178.8 | 0 | 0 | 0 | 0 | 111.4 | K19 S22 S26 | K19-V24 HydrophobicContact CB-CB 4.25Å; K19-V24 HydrophobicContact CG-CB 4.26Å; K19-V24 HydrophobicContact CG-CG1 4.13Å; K19-V24 PolarHBondContact O-N 3.48Å; S22-V24 PolarHBondContact O-N 2.82Å; S22-V24 WeakPolarHBondContact OG-CG2 3.42Å; V24-S26 PolarHBondContact O-N 3.34Å; V24-S26 VanDerWaalsContact O-N 3.13Å | ||
| 25 | D | 53.1 | Low | 69 | Low | 39 Ų | 39 | 79.4 Ų | 79.4 | 21% | 0.209 | 41% | 0.41 | C | S | . | . | S | Bend | trans | -86.2 | 62.2 | 161.4 | -128.7 | -30.9 | 0 | 0 | 0 | 109.2 | K19 Y27 | K19-D25 HydrophobicContact CB-CB 3.76Å; K19-D25 PolarHBondContact O-N 2.81Å; D25-Y27 PolarHBondContact O-N 2.78Å; D25-Y27 VanDerWaalsContact O-N 3.08Å |
| 26 | S | 52.4 | Low | 69.4 | Low | 62 Ų | 62 | 72.4 Ų | 72.4 | 43% | 0.434 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -54.4 | -27.3 | -179.3 | 58.7 | 0 | 0 | 0 | 0 | 111.7 | G23 V24 S30 | G23-S26 WeakPolarHBondContact O-CA 3.26Å; G23-S26 PolarHBondContact O-N 3.43Å; V24-S26 PolarHBondContact O-N 3.34Å; V24-S26 VanDerWaalsContact O-N 3.13Å; S26-S30 WeakPolarHBondContact O-CA 2.97Å; S26-S30 WeakPolarHBondContact O-CB 3.42Å; S26-S30 PolarHBondContact O-N 2.94Å; S26-S30 PolarHBondContact O-OG 3.07Å; S26-S30 VanDerWaalsContact O-OG 3.05Å |
| 27 | Y | 55.1 | Low | 70.3 | Confident | 165 Ų | 165 | 73.9 Ų | 73.9 | 65% | 0.647 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -58.3 | -62.2 | -179.2 | -65.7 | -77.2 | 0 | 0 | 0 | 112.9 | D25 H29 S30 D31 | D25-Y27 PolarHBondContact O-N 2.78Å; D25-Y27 VanDerWaalsContact O-N 3.08Å; Y27-H29 VanDerWaalsContact C-N 3.35Å; Y27-H29 PolarHBondContact O-N 3.34Å; Y27-S30 CarbonylContact O-C 3.35Å; Y27-S30 PolarHBondContact O-N 2.88Å; Y27-S30 VanDerWaalsContact O-N 3.17Å; Y27-S30 PolarHBondContact O-OG 3.4Å; Y27-D31 WeakPolarHBondContact O-CB 3.26Å; Y27-D31 PolarHBondContact O-N 3.47Å |
| 28 | L | 59.4 | Low | 71 | Confident | 84 Ų | 84 | 74.8 Ų | 74.8 | 44% | 0.44 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -63.5 | -38.1 | -176.1 | -72.6 | 174.6 | 0 | 0 | 0 | 113.2 | L20 R32 | L20-L28 HydrophobicContact CD1-CD1 4.28Å; L28-R32 PolarHBondContact O-N 3.08Å |
| 29 | H | 61.4 | Low | 72 | Confident | 101 Ų | 101 | 71.9 Ų | 71.9 | 47% | 0.468 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -70.2 | -41.5 | 176.8 | -148.7 | 84.8 | 0 | 0 | 0 | 110.8 | Y27 D31 R32 L33 | Y27-H29 VanDerWaalsContact C-N 3.35Å; Y27-H29 PolarHBondContact O-N 3.34Å; H29-D31 VanDerWaalsContact C-N 3.31Å; H29-D31 PolarHBondContact O-N 2.82Å; H29-R32 PolarHBondContact O-N 2.91Å; H29-L33 WeakPolarHBondContact O-CG 3.47Å; H29-L33 PolarHBondContact O-N 3.34Å |
| 30 | S | 71.5 | Confident | 73.2 | Confident | 32 Ų | 32 | 69.3 Ų | 69.3 | 22% | 0.224 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -63.2 | -37.4 | 175 | 79.2 | 0 | 0 | 0 | 0 | 111.9 | S26 Y27 L33 K34 | S26-S30 WeakPolarHBondContact O-CA 2.97Å; S26-S30 WeakPolarHBondContact O-CB 3.42Å; S26-S30 PolarHBondContact O-N 2.94Å; S26-S30 PolarHBondContact O-OG 3.07Å; S26-S30 VanDerWaalsContact O-OG 3.05Å; Y27-S30 CarbonylContact O-C 3.35Å; Y27-S30 PolarHBondContact O-N 2.88Å; Y27-S30 VanDerWaalsContact O-N 3.17Å; Y27-S30 PolarHBondContact O-OG 3.4Å; S30-L33 PolarHBondContact O-N 3.37Å; S30-K34 VanDerWaalsContact O-CB 3.26Å; S30-K34 WeakPolarHBondContact O-CB 3.16Å; S30-K34 WeakPolarHBondContact O-CD 3.12Å; S30-K34 WeakPolarHBondContact O-CG 3.46Å; S30-K34 PolarHBondContact O-N 2.96Å; S30-K34 PolarHBondContact OG-NZ 3.35Å |
| 31 | D | 78.7 | Confident | 74.6 | Confident | 81 Ų | 81 | 70.1 Ų | 70.1 | 43% | 0.433 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -68.9 | -40.2 | -179 | -70.1 | -16.9 | 0 | 0 | 0 | 111 | Y27 H29 K34 L35 | Y27-D31 WeakPolarHBondContact O-CB 3.26Å; Y27-D31 PolarHBondContact O-N 3.47Å; H29-D31 VanDerWaalsContact C-N 3.31Å; H29-D31 PolarHBondContact O-N 2.82Å; D31-K34 PolarHBondContact O-N 3.45Å; D31-K34 IonicContact OD1-NZ 3.72Å; D31-L35 WeakPolarHBondContact O-CB 3.46Å; D31-L35 PolarHBondContact O-N 3.17Å |
| 32 | R | 80.8 | Confident | 76.1 | Confident | 136 Ų | 136 | 65.9 Ų | 65.9 | 51% | 0.513 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -65.8 | -39.7 | 172.8 | -77.3 | -176.7 | 167.4 | 178.8 | -3.2 | 112.9 | L28 H29 L35 G36 D123 | L28-R32 PolarHBondContact O-N 3.08Å; H29-R32 PolarHBondContact O-N 2.91Å; R32-L35 WeakPolarHBondContact O-CB 3.16Å; R32-L35 PolarHBondContact O-N 3.38Å; R32-G36 PolarHBondContact O-N 3.19Å; R32-D123 IonicContact CZ-OD2 2.69Å; R32-D123 IonicContact NE-OD2 2.94Å; R32-D123 IonicContact NH2-OD2 2.59Å; R32-D123 PolarHBondContact NH2-OD2 3.35Å |
| 33 | L | 83.1 | Confident | 77.9 | Confident | 113 Ų | 113 | 62.1 Ų | 62.1 | 59% | 0.592 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -67.7 | -42.7 | 175.8 | -70.5 | 175.5 | 0 | 0 | 0 | 111.7 | H29 S30 L35 G36 H37 | H29-L33 WeakPolarHBondContact O-CG 3.47Å; H29-L33 PolarHBondContact O-N 3.34Å; S30-L33 PolarHBondContact O-N 3.37Å; L33-L35 VanDerWaalsContact C-N 3.34Å; L33-G36 PolarHBondContact O-N 2.96Å; L33-H37 WeakPolarHBondContact O-CB 3.27Å; L33-H37 PolarHBondContact O-N 2.97Å |
| 34 | K | 87.4 | Confident | 79.9 | Confident | 127 Ų | 127 | 60.3 Ų | 60.3 | 55% | 0.552 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -61.8 | -42 | 173.7 | -74.2 | 167.2 | -171.3 | 165 | 0 | 111.4 | S30 D31 H37 A38 | S30-K34 VanDerWaalsContact O-CB 3.26Å; S30-K34 WeakPolarHBondContact O-CB 3.16Å; S30-K34 WeakPolarHBondContact O-CD 3.12Å; S30-K34 WeakPolarHBondContact O-CG 3.46Å; S30-K34 PolarHBondContact O-N 2.96Å; S30-K34 PolarHBondContact OG-NZ 3.35Å; D31-K34 PolarHBondContact O-N 3.45Å; D31-K34 IonicContact OD1-NZ 3.72Å; K34-H37 PolarHBondContact O-N 3.34Å; K34-A38 VanDerWaalsContact O-CB 3.26Å; K34-A38 WeakPolarHBondContact O-CB 3.46Å; K34-A38 PolarHBondContact O-N 3.19Å |
| 35 | L | 91.6 | Very high | 81.9 | Confident | 18 Ų | 18 | 58.7 Ų | 58.7 | 9% | 0.094 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.6 | -51 | 175.4 | 178.3 | 78 | 0 | 0 | 0 | 111 | D31 R32 L33 A38 L39 S62 A63 Y66 T121 | D31-L35 WeakPolarHBondContact O-CB 3.46Å; D31-L35 PolarHBondContact O-N 3.17Å; R32-L35 WeakPolarHBondContact O-CB 3.16Å; R32-L35 PolarHBondContact O-N 3.38Å; L33-L35 VanDerWaalsContact C-N 3.34Å; L35-A38 PolarHBondContact O-N 3.41Å; L35-L39 PolarHBondContact O-N 3.27Å; L35-L39 VanDerWaalsContact O-N 3.07Å; L35-S62 VanDerWaalsContact CD1-O 3.27Å; L35-S62 WeakPolarHBondContact CD1-O 3.35Å; L35-A63 VanDerWaalsContact CD1-CA 3.46Å; L35-A63 HydrophobicContact CD1-CB 3.71Å; L35-Y66 HydrophobicContact CD1-CD2 3.81Å; L35-Y66 HydrophobicContact CD1-CE2 3.87Å; L35-Y66 HydrophobicContact CD2-CD2 4.02Å; L35-Y66 HydrophobicContact CD2-CE1 4.48Å; L35-Y66 HydrophobicContact CD2-CE2 3.53Å; L35-Y66 HydrophobicContact CG-CD2 4.27Å; L35-Y66 HydrophobicContact CG-CE2 4.21Å; L35-T121 HydrophobicContact CD2-CG2 4.19Å; L35-T121 HydrophobicContact CG-CG2 4.3Å |
| 36 | G | 90.7 | Very high | 84 | Confident | 13 Ų | 13 | 58.5 Ų | 58.5 | 13% | 0.134 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -56.4 | -53.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | R32 L33 A38 L39 H40 | R32-G36 PolarHBondContact O-N 3.19Å; L33-G36 PolarHBondContact O-N 2.96Å; G36-A38 PolarHBondContact O-N 3.36Å; G36-L39 WeakPolarHBondContact O-CB 3.48Å; G36-L39 PolarHBondContact O-N 3.03Å; G36-H40 PolarHBondContact O-CD2 2.96Å; G36-H40 PolarHBondContact O-N 3.04Å |
| 37 | H | 91.1 | Very high | 86.1 | Confident | 102 Ų | 102 | 58 Ų | 58 | 47% | 0.472 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -57.6 | -44 | 179.3 | -178.7 | 59.9 | 0 | 0 | 0 | 113 | L33 K34 L39 H40 E41 | L33-H37 WeakPolarHBondContact O-CB 3.27Å; L33-H37 PolarHBondContact O-N 2.97Å; K34-H37 PolarHBondContact O-N 3.34Å; H37-L39 VanDerWaalsContact C-N 3.28Å; H37-L39 PolarHBondContact O-N 3.41Å; H37-H40 PolarHBondContact O-N 3.47Å; H37-E41 IonicContact CE1-OE1 2.78Å; H37-E41 PolarHBondContact CE1-OE1 3.06Å; H37-E41 VanDerWaalsContact CE1-OE1 3.27Å; H37-E41 IonicContact NE2-OE1 3.23Å; H37-E41 WeakPolarHBondContact O-CG 3.37Å; H37-E41 PolarHBondContact O-N 3.35Å |
| 38 | A | 93.8 | Very high | 88.1 | Confident | 25 Ų | 25 | 50.4 Ų | 50.4 | 21% | 0.207 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.9 | -38.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | K34 L35 G36 E41 A42 L59 A63 | K34-A38 VanDerWaalsContact O-CB 3.26Å; K34-A38 WeakPolarHBondContact O-CB 3.46Å; K34-A38 PolarHBondContact O-N 3.19Å; L35-A38 PolarHBondContact O-N 3.41Å; G36-A38 PolarHBondContact O-N 3.36Å; A38-E41 PolarHBondContact O-N 2.89Å; A38-A42 WeakPolarHBondContact O-CB 3.47Å; A38-A42 PolarHBondContact O-N 3.48Å; A38-L59 HydrophobicContact CB-CD2 4.07Å; A38-L59 WeakPolarHBondContact O-CD2 3.36Å; A38-A63 HydrophobicContact CB-CB 4.39Å |
| 39 | L | 95.5 | Very high | 89.8 | Confident | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.01 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -68.8 | -40.6 | 175.9 | -168.9 | 69 | 0 | 0 | 0 | 112.1 | L35 G36 H37 A42 L43 W67 L119 T121 C148 | L35-L39 PolarHBondContact O-N 3.27Å; L35-L39 VanDerWaalsContact O-N 3.07Å; G36-L39 WeakPolarHBondContact O-CB 3.48Å; G36-L39 PolarHBondContact O-N 3.03Å; H37-L39 VanDerWaalsContact C-N 3.28Å; H37-L39 PolarHBondContact O-N 3.41Å; L39-A42 PolarHBondContact O-N 3.25Å; L39-L43 PolarHBondContact O-N 2.93Å; L39-W67 HydrophobicContact CD1-CB 4.17Å; L39-W67 HydrophobicContact CD1-CE3 4.05Å; L39-L119 HydrophobicContact CD2-CD1 4.29Å; L39-L119 HydrophobicContact CD2-CD2 4.15Å; L39-L119 HydrophobicContact CD2-CG 4.18Å; L39-L119 HydrophobicContact CG-CD2 4.02Å; L39-T121 HydrophobicContact CD2-CG2 3.62Å; L39-C148 HydrophobicContact CD2-CB 3.99Å |
| 40 | H | 94.8 | Very high | 91.5 | Very high | 22 Ų | 22 | 50.6 Ų | 50.6 | 10% | 0.102 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.5 | -42.9 | 173 | -72.8 | -79.6 | 0 | 0 | 0 | 112.1 | G36 H37 L43 T44 D99 L119 | G36-H40 PolarHBondContact O-CD2 2.96Å; G36-H40 PolarHBondContact O-N 3.04Å; H37-H40 PolarHBondContact O-N 3.47Å; H40-L43 PolarHBondContact O-N 2.84Å; H40-T44 WeakPolarHBondContact O-CB 3.39Å; H40-T44 WeakPolarHBondContact O-CG2 3.27Å; H40-T44 PolarHBondContact O-N 2.86Å; H40-T44 PolarHBondContact O-OG1 2.9Å; H40-D99 IonicContact CE1-OD1 2.65Å; H40-D99 IonicContact CE1-OD2 3.27Å; H40-D99 PolarHBondContact CE1-OD2 3.15Å; H40-D99 VanDerWaalsContact CE1-OD2 3.23Å; H40-L119 PolarHBondContact CE1-O 3.15Å; H40-L119 PolarHBondContact NE2-O 2.65Å |
| 41 | E | 95 | Very high | 92.7 | Very high | 44 Ų | 44 | 55.2 Ų | 55.2 | 21% | 0.206 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.3 | -43 | 176.5 | -73.1 | -58.8 | 154.3 | 0 | 0 | 112.2 | H37 A38 L43 M45 Q46 R83 | H37-E41 IonicContact CE1-OE1 2.78Å; H37-E41 PolarHBondContact CE1-OE1 3.06Å; H37-E41 VanDerWaalsContact CE1-OE1 3.27Å; H37-E41 IonicContact NE2-OE1 3.23Å; H37-E41 WeakPolarHBondContact O-CG 3.37Å; H37-E41 PolarHBondContact O-N 3.35Å; A38-E41 PolarHBondContact O-N 2.89Å; E41-L43 PolarHBondContact O-N 2.87Å; E41-M45 WeakPolarHBondContact O-CA 3.48Å; E41-M45 VanDerWaalsContact O-CB 3.25Å; E41-M45 WeakPolarHBondContact O-CB 3.42Å; E41-M45 PolarHBondContact O-N 2.71Å; E41-M45 WeakPolarHBondContact OE2-CB 3.47Å; E41-Q46 PolarHBondContact O-N 3.28Å; E41-Q46 VanDerWaalsContact O-N 3.13Å; E41-R83 VanDerWaalsContact CD-NH2 3.33Å; E41-R83 IonicContact OE1-CZ 2.9Å; E41-R83 IonicContact OE1-NH1 3.86Å; E41-R83 IonicContact OE1-NH2 3.47Å; E41-R83 PolarHBondContact OE1-NH2 3.42Å; E41-R83 IonicContact OE2-CZ 3.27Å; E41-R83 IonicContact OE2-NH1 3.07Å; E41-R83 PolarHBondContact OE2-NH1 2.85Å; E41-R83 IonicContact OE2-NH2 2.81Å; E41-R83 PolarHBondContact OE2-NH2 2.95Å |
| 42 | A | 96.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 26% | 0.258 | C | S | . | . | I | π-helix | trans | -57.1 | -48.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | A38 L39 Q46 Y47 V57 L59 W67 | A38-A42 WeakPolarHBondContact O-CB 3.47Å; A38-A42 PolarHBondContact O-N 3.48Å; L39-A42 PolarHBondContact O-N 3.25Å; A42-Q46 WeakPolarHBondContact O-CB 3.48Å; A42-Y47 WeakPolarHBondContact O-CB 3.44Å; A42-Y47 PolarHBondContact O-N 2.97Å; A42-V57 HydrophobicContact CB-CG1 3.55Å; A42-L59 HydrophobicContact CB-CD1 4.04Å; A42-L59 HydrophobicContact CB-CD2 3.79Å; A42-L59 HydrophobicContact CB-CG 4.07Å; A42-W67 HydrophobicContact CB-CD2 4.48Å; A42-W67 HydrophobicContact CB-CE3 3.85Å; A42-W67 HydrophobicContact CB-CZ3 3.92Å |
| 43 | L | 97.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.254 | C | S | . | . | I | π-helix | trans | -69.5 | -56.8 | 178.9 | 179.4 | 60.3 | 0 | 0 | 0 | 111.9 | L39 H40 E41 Y47 L48 W67 L70 L74 I77 L117 L119 | L39-L43 PolarHBondContact O-N 2.93Å; H40-L43 PolarHBondContact O-N 2.84Å; E41-L43 PolarHBondContact O-N 2.87Å; L43-Y47 HydrophobicContact CD1-CD1 4.1Å; L43-L48 HydrophobicContact CD1-CD1 4.11Å; L43-L48 HydrophobicContact CD1-CG 4.22Å; L43-L48 HydrophobicContact CG-CD1 4.11Å; L43-L48 WeakPolarHBondContact O-CB 3.4Å; L43-L48 VanDerWaalsContact O-CG 3.27Å; L43-L48 WeakPolarHBondContact O-CG 3.48Å; L43-L48 PolarHBondContact O-N 2.83Å; L43-W67 HydrophobicContact CB-CZ3 4.16Å; L43-L70 HydrophobicContact CB-CD2 4.35Å; L43-L70 HydrophobicContact CD1-CD2 4.19Å; L43-L70 HydrophobicContact CD2-CD2 4.24Å; L43-L70 HydrophobicContact CG-CD2 4.49Å; L43-L74 HydrophobicContact CD1-CD2 3.77Å; L43-I77 HydrophobicContact CD1-CD1 4.15Å; L43-I77 HydrophobicContact CD1-CG2 4.48Å; L43-I77 HydrophobicContact CD2-CD1 4.47Å; L43-L117 HydrophobicContact CD2-CD2 3.51Å; L43-L119 HydrophobicContact CB-CD2 4.38Å; L43-L119 HydrophobicContact CD2-CD2 3.87Å |
| 44 | T | 96 | Very high | 95 | Very high | 2 Ų | 2 | 45.4 Ų | 45.4 | 1% | 0.012 | 24% | 0.236 | C | C | . | . | I | π-helix | trans | -79.7 | -42.4 | -167.4 | 63.6 | 0 | 0 | 0 | 0 | 112.5 | H40 T49 L80 R83 A100 | H40-T44 WeakPolarHBondContact O-CB 3.39Å; H40-T44 WeakPolarHBondContact O-CG2 3.27Å; H40-T44 PolarHBondContact O-N 2.86Å; H40-T44 PolarHBondContact O-OG1 2.9Å; T44-T49 WeakPolarHBondContact O-CB 3.3Å; T44-T49 PolarHBondContact O-N 3.49Å; T44-T49 PolarHBondContact O-OG1 2.73Å; T44-L80 HydrophobicContact CG2-CD1 4.14Å; T44-R83 HydrophobicContact CG2-CB 4.27Å; T44-R83 PolarHBondContact OG1-NH1 3.22Å; T44-A100 HydrophobicContact CG2-CB 4.14Å |
| 45 | M | 94.7 | Very high | 95.4 | Very high | 65 Ų | 65 | 45.8 Ų | 45.8 | 32% | 0.32 | 24% | 0.244 | S | C | . | . | I | π-helix | trans | -85.7 | -58.6 | -178.8 | -169.5 | 60.2 | 62.8 | 0 | 0 | 111.7 | E41 T49 L50 | E41-M45 WeakPolarHBondContact O-CA 3.48Å; E41-M45 VanDerWaalsContact O-CB 3.25Å; E41-M45 WeakPolarHBondContact O-CB 3.42Å; E41-M45 PolarHBondContact O-N 2.71Å; E41-M45 WeakPolarHBondContact OE2-CB 3.47Å; M45-T49 WeakPolarHBondContact O-CB 3.42Å; M45-T49 PolarHBondContact O-N 2.73Å; M45-T49 HydrophobicContact SD-CG2 4.26Å; M45-L50 HydrophobicContact CG-CD1 4.23Å; M45-L50 WeakPolarHBondContact O-CG 3.34Å; M45-L50 PolarHBondContact O-N 3.02Å |
| 46 | Q | 97.2 | Very high | 95.7 | Very high | 35 Ų | 35 | 50.6 Ų | 50.6 | 16% | 0.164 | 27% | 0.266 | C | S | . | . | I | π-helix | trans | -72.2 | -57.7 | -170.6 | -58.1 | -176.7 | 53.2 | 0 | 0 | 111 | E41 A42 L50 K51 T52 V57 Q58 | E41-Q46 PolarHBondContact O-N 3.28Å; E41-Q46 VanDerWaalsContact O-N 3.13Å; A42-Q46 WeakPolarHBondContact O-CB 3.48Å; Q46-L50 CarbonylContact O-C 3.41Å; Q46-L50 WeakPolarHBondContact O-CB 3.21Å; Q46-L50 PolarHBondContact O-N 3.43Å; Q46-K51 PolarHBondContact O-N 2.94Å; Q46-K51 VanDerWaalsContact O-N 3.09Å; Q46-T52 WeakPolarHBondContact O-CB 3.49Å; Q46-T52 PolarHBondContact O-N 2.87Å; Q46-T52 PolarHBondContact O-OG1 3.32Å; Q46-V57 HydrophobicContact CB-CG1 4.49Å; Q46-V57 HydrophobicContact CB-CG2 4.17Å; Q46-Q58 PolarHBondContact NE2-O 3.07Å |
| 47 | Y | 97.4 | Very high | 96 | Very high | 52 Ų | 52 | 50.8 Ų | 50.8 | 20% | 0.204 | 27% | 0.265 | C | S | . | . | I | π-helix | trans | -73.6 | -53.1 | -175.3 | -179 | -104.2 | 0 | 0 | 0 | 112.8 | A42 L43 K51 A54 W67 L74 | A42-Y47 WeakPolarHBondContact O-CB 3.44Å; A42-Y47 PolarHBondContact O-N 2.97Å; L43-Y47 HydrophobicContact CD1-CD1 4.1Å; Y47-K51 VanDerWaalsContact O-CA 3.26Å; Y47-K51 WeakPolarHBondContact O-CA 3.46Å; Y47-K51 PolarHBondContact O-N 3.22Å; Y47-A54 HydrophobicContact CD2-CB 4.44Å; Y47-A54 HydrophobicContact CE2-CB 4.29Å; Y47-W67 HydrophobicContact CG-CH2 4.09Å; Y47-L74 HydrophobicContact CD1-CD2 3.96Å; Y47-L74 HydrophobicContact CD2-CD1 4.33Å; Y47-L74 HydrophobicContact CE1-CB 3.94Å; Y47-L74 HydrophobicContact CE1-CD2 3.91Å; Y47-L74 HydrophobicContact CE1-CG 4.35Å; Y47-L74 HydrophobicContact CE2-CB 4.38Å; Y47-L74 HydrophobicContact CE2-CD1 4.12Å; Y47-L74 HydrophobicContact CG-CD2 4.47Å; Y47-L74 PolarHBondContact OH-O 3.2Å |
| 48 | L | 96.5 | Very high | 96.1 | Very high | 5 Ų | 5 | 52.7 Ų | 52.7 | 3% | 0.026 | 27% | 0.274 | C | S | . | . | I | π-helix | trans | -81.2 | -40.4 | -172.8 | -66.2 | 174.3 | 0 | 0 | 0 | 114.2 | L43 K51 I77 L80 | L43-L48 HydrophobicContact CD1-CD1 4.11Å; L43-L48 HydrophobicContact CD1-CG 4.22Å; L43-L48 HydrophobicContact CG-CD1 4.11Å; L43-L48 WeakPolarHBondContact O-CB 3.4Å; L43-L48 VanDerWaalsContact O-CG 3.27Å; L43-L48 WeakPolarHBondContact O-CG 3.48Å; L43-L48 PolarHBondContact O-N 2.83Å; L48-K51 WeakPolarHBondContact O-CD 3.12Å; L48-K51 WeakPolarHBondContact O-CE 3.19Å; L48-K51 PolarHBondContact O-NZ 3.34Å; L48-I77 HydrophobicContact CD1-CG2 3.87Å; L48-I77 HydrophobicContact CD2-CG2 3.87Å; L48-I77 WeakPolarHBondContact CD2-O 3.29Å; L48-I77 HydrophobicContact CG-CG2 4.43Å; L48-L80 HydrophobicContact CB-CB 3.83Å; L48-L80 HydrophobicContact CD1-CB 4.03Å; L48-L80 HydrophobicContact CD1-CD1 4.24Å |
| 49 | T | 95 | Very high | 96.1 | Very high | 74 Ų | 74 | 53 Ų | 53 | 45% | 0.454 | 27% | 0.272 | S | S | . | . | I | π-helix | trans | -87 | -55.6 | -178.5 | -63 | 0 | 0 | 0 | 0 | 112.4 | T44 M45 K51 L80 | T44-T49 WeakPolarHBondContact O-CB 3.3Å; T44-T49 PolarHBondContact O-N 3.49Å; T44-T49 PolarHBondContact O-OG1 2.73Å; M45-T49 WeakPolarHBondContact O-CB 3.42Å; M45-T49 PolarHBondContact O-N 2.73Å; M45-T49 HydrophobicContact SD-CG2 4.26Å; T49-K51 VanDerWaalsContact C-N 3.3Å; T49-K51 PolarHBondContact O-N 3.02Å; T49-L80 WeakPolarHBondContact OG1-CD2 3.42Å |
| 50 | L | 96.5 | Very high | 95.9 | Very high | 114 Ų | 114 | 55.7 Ų | 55.7 | 60% | 0.597 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -80.8 | -9.6 | -177.6 | -63.4 | 175.5 | 0 | 0 | 0 | 113.4 | M45 Q46 T52 | M45-L50 HydrophobicContact CG-CD1 4.23Å; M45-L50 WeakPolarHBondContact O-CG 3.34Å; M45-L50 PolarHBondContact O-N 3.02Å; Q46-L50 CarbonylContact O-C 3.41Å; Q46-L50 WeakPolarHBondContact O-CB 3.21Å; Q46-L50 PolarHBondContact O-N 3.43Å; L50-T52 PolarHBondContact O-N 2.63Å |
| 51 | K | 96.6 | Very high | 95.8 | Very high | 129 Ų | 129 | 63.4 Ų | 63.4 | 56% | 0.561 | 32% | 0.324 | S | S | * | . | trans | 56.8 | 30.6 | -177.6 | -54.5 | -55.6 | -170.7 | -169.9 | 0 | 113.1 | Q46 Y47 L48 T49 | Q46-K51 PolarHBondContact O-N 2.94Å; Q46-K51 VanDerWaalsContact O-N 3.09Å; Y47-K51 VanDerWaalsContact O-CA 3.26Å; Y47-K51 WeakPolarHBondContact O-CA 3.46Å; Y47-K51 PolarHBondContact O-N 3.22Å; L48-K51 WeakPolarHBondContact O-CD 3.12Å; L48-K51 WeakPolarHBondContact O-CE 3.19Å; L48-K51 PolarHBondContact O-NZ 3.34Å; T49-K51 VanDerWaalsContact C-N 3.3Å; T49-K51 PolarHBondContact O-N 3.02Å | ||
| 52 | T | 96.9 | Very high | 95.5 | Very high | 32 Ų | 32 | 65.1 Ų | 65.1 | 20% | 0.196 | 34% | 0.341 | C | S | . | . | trans | -59.6 | 128.8 | 172.4 | -55.8 | 0 | 0 | 0 | 0 | 109.3 | Q46 L50 E56 V57 | Q46-T52 WeakPolarHBondContact O-CB 3.49Å; Q46-T52 PolarHBondContact O-N 2.87Å; Q46-T52 PolarHBondContact O-OG1 3.32Å; L50-T52 PolarHBondContact O-N 2.63Å; T52-E56 HydrophobicContact CG2-CB 3.89Å; T52-V57 HydrophobicContact CG2-CG2 4.12Å | ||
| 53 | P | 97 | Very high | 95.3 | Very high | 66 Ų | 66 | 65.1 Ų | 65.1 | 43% | 0.429 | 34% | 0.341 | S | S | . | . | trans | -52.6 | 142.8 | 174.5 | -27.4 | 35.7 | 0 | 0 | 0 | 111.7 | D55 E56 V57 | P53-D55 PolarHBondContact O-N 3.35Å; P53-E56 HydrophobicContact CB-CB 4.25Å; P53-E56 HydrophobicContact CB-CG 4.11Å; P53-E56 HydrophobicContact CG-CG 4.37Å; P53-E56 PolarHBondContact O-N 3.23Å; P53-V57 PolarHBondContact O-N 2.91Å | ||
| 54 | A | 96.9 | Very high | 95.3 | Very high | 26 Ų | 26 | 69.4 Ų | 69.4 | 22% | 0.215 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -26.4 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114 | Y47 W67 K71 L74 | Y47-A54 HydrophobicContact CD2-CB 4.44Å; Y47-A54 HydrophobicContact CE2-CB 4.29Å; A54-W67 HydrophobicContact CB-CZ2 4.39Å; A54-W67 PolarHBondContact O-NE1 2.69Å; A54-K71 WeakPolarHBondContact O-CE 3.31Å; A54-L74 HydrophobicContact CB-CD1 3.69Å |
| 55 | D | 96.4 | Very high | 95.2 | Very high | 136 Ų | 136 | 70.8 Ų | 70.8 | 73% | 0.727 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | -9.5 | 177.4 | -62.6 | -43.2 | 0 | 0 | 0 | 113.7 | P53 K71 | P53-D55 PolarHBondContact O-N 3.35Å; D55-K71 IonicContact OD1-NZ 2.7Å; D55-K71 PolarHBondContact OD1-NZ 3.45Å |
| 56 | E | 96.9 | Very high | 95.3 | Very high | 119 Ų | 119 | 68.2 Ų | 68.2 | 56% | 0.556 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.5 | -5.2 | 179.4 | -66 | 179.4 | -160.1 | 0 | 0 | 113.1 | T52 P53 Q58 | T52-E56 HydrophobicContact CG2-CB 3.89Å; P53-E56 HydrophobicContact CB-CB 4.25Å; P53-E56 HydrophobicContact CB-CG 4.11Å; P53-E56 HydrophobicContact CG-CG 4.37Å; P53-E56 PolarHBondContact O-N 3.23Å; E56-Q58 PolarHBondContact O-N 3.49Å; E56-Q58 PolarHBondContact O-NE2 3.27Å |
| 57 | V | 97 | Very high | 95.4 | Very high | 16 Ų | 16 | 66.9 Ų | 66.9 | 10% | 0.097 | 35% | 0.35 | C | S | . | . | trans | -58.3 | 124.8 | 176.1 | 167.4 | 0 | 0 | 0 | 0 | 110.4 | A42 Q46 T52 P53 L59 W67 | A42-V57 HydrophobicContact CB-CG1 3.55Å; Q46-V57 HydrophobicContact CB-CG1 4.49Å; Q46-V57 HydrophobicContact CB-CG2 4.17Å; T52-V57 HydrophobicContact CG2-CG2 4.12Å; P53-V57 PolarHBondContact O-N 2.91Å; V57-L59 HydrophobicContact CG1-CD1 3.95Å; V57-L59 HydrophobicContact CG1-CG 4.08Å; V57-W67 HydrophobicContact CB-CZ2 3.98Å; V57-W67 HydrophobicContact CG1-CD2 4.22Å; V57-W67 HydrophobicContact CG1-CZ2 4.09Å; V57-W67 HydrophobicContact CG2-CH2 4.21Å; V57-W67 HydrophobicContact CG2-CZ2 3.56Å | ||
| 58 | Q | 95 | Very high | 95.4 | Very high | 143 Ų | 143 | 68.4 Ų | 68.4 | 67% | 0.668 | 36% | 0.362 | S | S | * | . | trans | -86.3 | 120.2 | -177.1 | -61.1 | -59.6 | -48.9 | 0 | 0 | 110.4 | Q46 E56 | Q46-Q58 PolarHBondContact NE2-O 3.07Å; E56-Q58 PolarHBondContact O-N 3.49Å; E56-Q58 PolarHBondContact O-NE2 3.27Å | ||
| 59 | L | 93.9 | Very high | 95.4 | Very high | 32 Ų | 32 | 68.4 Ų | 68.4 | 17% | 0.168 | 36% | 0.362 | C | S | . | . | trans | -140.4 | 161.3 | -179 | -80 | 164.7 | 0 | 0 | 0 | 110.6 | A38 A42 V57 A63 E64 W67 | A38-L59 HydrophobicContact CB-CD2 4.07Å; A38-L59 WeakPolarHBondContact O-CD2 3.36Å; A42-L59 HydrophobicContact CB-CD1 4.04Å; A42-L59 HydrophobicContact CB-CD2 3.79Å; A42-L59 HydrophobicContact CB-CG 4.07Å; V57-L59 HydrophobicContact CG1-CD1 3.95Å; V57-L59 HydrophobicContact CG1-CG 4.08Å; L59-A63 HydrophobicContact CB-CB 4.28Å; L59-A63 HydrophobicContact CD2-CB 3.81Å; L59-E64 HydrophobicContact CB-CG 4.25Å; L59-W67 HydrophobicContact CD1-CB 3.26Å; L59-W67 HydrophobicContact CD1-CD2 4.04Å; L59-W67 HydrophobicContact CD1-CG 3.47Å; L59-W67 VanDerWaalsContact CD1-CG 3.47Å | ||
| 60 | S | 90.8 | Very high | 95.5 | Very high | 58 Ų | 58 | 64.9 Ų | 64.9 | 41% | 0.406 | 34% | 0.341 | S | S | . | . | trans | -71.2 | 152.2 | 166.8 | 63.4 | 0 | 0 | 0 | 0 | 110.4 | S62 A63 E64 | S60-S62 PolarHBondContact O-N 2.87Å; S60-S62 PolarHBondContact OG-OG 3.21Å; S60-A63 WeakPolarHBondContact O-CA 3.48Å; S60-A63 PolarHBondContact O-N 3Å; S60-A63 WeakPolarHBondContact OG-CB 3.19Å; S60-A63 PolarHBondContact OG-N 3.08Å; S60-E64 PolarHBondContact O-N 2.9Å; S60-E64 VanDerWaalsContact O-N 3.07Å | ||
| 61 | K | 91.4 | Very high | 95.5 | Very high | 184 Ų | 184 | 62.1 Ų | 62.1 | 80% | 0.8 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | -29.8 | 174.5 | -66.3 | -171.9 | 177.2 | -175.9 | 0 | 113.7 | ||
| 62 | S | 89.7 | Confident | 95.4 | Very high | 79 Ų | 79 | 59.2 Ų | 59.2 | 55% | 0.552 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -26 | 175.7 | 41.3 | 0 | 0 | 0 | 0 | 113.9 | L35 S60 | L35-S62 VanDerWaalsContact CD1-O 3.27Å; L35-S62 WeakPolarHBondContact CD1-O 3.35Å; S60-S62 PolarHBondContact O-N 2.87Å; S60-S62 PolarHBondContact OG-OG 3.21Å |
| 63 | A | 93.3 | Very high | 95.3 | Very high | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.008 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | -26.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | L35 A38 L59 S60 P65 Y66 W67 | L35-A63 VanDerWaalsContact CD1-CA 3.46Å; L35-A63 HydrophobicContact CD1-CB 3.71Å; A38-A63 HydrophobicContact CB-CB 4.39Å; L59-A63 HydrophobicContact CB-CB 4.28Å; L59-A63 HydrophobicContact CD2-CB 3.81Å; S60-A63 WeakPolarHBondContact O-CA 3.48Å; S60-A63 PolarHBondContact O-N 3Å; S60-A63 WeakPolarHBondContact OG-CB 3.19Å; S60-A63 PolarHBondContact OG-N 3.08Å; A63-P65 VanDerWaalsContact C-N 3.31Å; A63-Y66 PolarHBondContact O-N 3.24Å; A63-Y66 VanDerWaalsContact O-N 3.08Å; A63-W67 PolarHBondContact O-N 3.14Å; A63-W67 VanDerWaalsContact O-N 3.17Å |
| 64 | E | 95.3 | Very high | 95.3 | Very high | 89 Ų | 89 | 56 Ų | 56 | 42% | 0.416 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -46.2 | -43.9 | 176.4 | -74.5 | 169 | -154.2 | 0 | 0 | 114.2 | L59 S60 Y66 W67 N68 | L59-E64 HydrophobicContact CB-CG 4.25Å; S60-E64 PolarHBondContact O-N 2.9Å; S60-E64 VanDerWaalsContact O-N 3.07Å; E64-Y66 VanDerWaalsContact C-N 3.33Å; E64-Y66 PolarHBondContact O-N 2.96Å; E64-W67 PolarHBondContact O-N 2.87Å; E64-N68 PolarHBondContact O-N 3.21Å; E64-N68 PolarHBondContact O-ND2 3.42Å |
| 65 | P | 95.8 | Very high | 95.1 | Very high | 31 Ų | 31 | 59.4 Ų | 59.4 | 20% | 0.201 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.4 | -37.9 | -178.5 | -21.2 | 33.8 | 0 | 0 | 0 | 113 | A63 N68 S69 K150 | A63-P65 VanDerWaalsContact C-N 3.31Å; P65-N68 PolarHBondContact O-N 3.37Å; P65-S69 PolarHBondContact O-N 2.8Å; P65-K150 HydrophobicContact CB-CB 4.42Å; P65-K150 HydrophobicContact CB-CG 3.68Å; P65-K150 WeakPolarHBondContact CB-O 3.38Å; P65-K150 HydrophobicContact CG-CG 4.12Å |
| 66 | Y | 96.9 | Very high | 95 | Very high | 12 Ų | 12 | 54 Ų | 54 | 5% | 0.047 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -73 | -29.6 | 177.8 | -58.7 | -89.5 | 0 | 0 | 0 | 112.4 | L35 A63 E64 S69 L70 T121 D123 C148 Y149 K150 | L35-Y66 HydrophobicContact CD1-CD2 3.81Å; L35-Y66 HydrophobicContact CD1-CE2 3.87Å; L35-Y66 HydrophobicContact CD2-CD2 4.02Å; L35-Y66 HydrophobicContact CD2-CE1 4.48Å; L35-Y66 HydrophobicContact CD2-CE2 3.53Å; L35-Y66 HydrophobicContact CG-CD2 4.27Å; L35-Y66 HydrophobicContact CG-CE2 4.21Å; A63-Y66 PolarHBondContact O-N 3.24Å; A63-Y66 VanDerWaalsContact O-N 3.08Å; E64-Y66 VanDerWaalsContact C-N 3.33Å; E64-Y66 PolarHBondContact O-N 2.96Å; Y66-S69 WeakPolarHBondContact O-CB 3.31Å; Y66-L70 PolarHBondContact O-N 2.77Å; Y66-T121 HydrophobicContact CD1-CG2 3.8Å; Y66-T121 HydrophobicContact CE1-CG2 4.31Å; Y66-T121 HydrophobicContact CG-CG2 3.99Å; Y66-D123 PolarHBondContact OH-OD1 2.84Å; Y66-C148 HydrophobicContact CD1-CB 4.26Å; Y66-C148 WeakPolarHBondContact CD1-O 3.46Å; Y66-C148 WeakPolarHBondContact O-CB 3.2Å; Y66-Y149 WeakPolarHBondContact CA-O 3.42Å; Y66-K150 HydrophobicContact CE1-CB 4.34Å; Y66-K150 HydrophobicContact CE2-CB 4.45Å |
| 67 | W | 97.6 | Very high | 94.9 | Very high | 7 Ų | 7 | 48.4 Ų | 48.4 | 3% | 0.027 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -68.5 | -44 | 170.3 | 179.5 | -112.2 | 0 | 0 | 0 | 111.4 | L39 A42 L43 Y47 A54 V57 L59 A63 E64 S69 L70 K71 L74 | L39-W67 HydrophobicContact CD1-CB 4.17Å; L39-W67 HydrophobicContact CD1-CE3 4.05Å; A42-W67 HydrophobicContact CB-CD2 4.48Å; A42-W67 HydrophobicContact CB-CE3 3.85Å; A42-W67 HydrophobicContact CB-CZ3 3.92Å; L43-W67 HydrophobicContact CB-CZ3 4.16Å; Y47-W67 HydrophobicContact CG-CH2 4.09Å; A54-W67 HydrophobicContact CB-CZ2 4.39Å; A54-W67 PolarHBondContact O-NE1 2.69Å; V57-W67 HydrophobicContact CB-CZ2 3.98Å; V57-W67 HydrophobicContact CG1-CD2 4.22Å; V57-W67 HydrophobicContact CG1-CZ2 4.09Å; V57-W67 HydrophobicContact CG2-CH2 4.21Å; V57-W67 HydrophobicContact CG2-CZ2 3.56Å; L59-W67 HydrophobicContact CD1-CB 3.26Å; L59-W67 HydrophobicContact CD1-CD2 4.04Å; L59-W67 HydrophobicContact CD1-CG 3.47Å; L59-W67 VanDerWaalsContact CD1-CG 3.47Å; A63-W67 PolarHBondContact O-N 3.14Å; A63-W67 VanDerWaalsContact O-N 3.17Å; E64-W67 PolarHBondContact O-N 2.87Å; W67-S69 VanDerWaalsContact C-N 3.25Å; W67-S69 PolarHBondContact O-N 3.04Å; W67-L70 HydrophobicContact CE3-CD2 3.98Å; W67-L70 HydrophobicContact CZ3-CD2 3.79Å; W67-L70 WeakPolarHBondContact O-CA 3.38Å; W67-L70 WeakPolarHBondContact O-CB 3.38Å; W67-L70 PolarHBondContact O-N 2.81Å; W67-K71 VanDerWaalsContact CD1-CE 3.49Å; W67-K71 WeakPolarHBondContact O-CG 3.19Å; W67-K71 PolarHBondContact O-N 2.79Å; W67-L74 HydrophobicContact CH2-CD1 3.85Å; W67-L74 HydrophobicContact CH2-CD2 3.87Å; W67-L74 HydrophobicContact CZ2-CD1 3.64Å; W67-L74 HydrophobicContact CZ3-CD2 4.27Å |
| 68 | N | 97.3 | Very high | 94.6 | Very high | 84 Ų | 84 | 50.8 Ų | 50.8 | 45% | 0.449 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -60.2 | -37.2 | 174.4 | -69 | -28.4 | 0 | 0 | 0 | 112 | E64 P65 L70 K71 | E64-N68 PolarHBondContact O-N 3.21Å; E64-N68 PolarHBondContact O-ND2 3.42Å; P65-N68 PolarHBondContact O-N 3.37Å; N68-L70 VanDerWaalsContact C-N 3.28Å; N68-L70 PolarHBondContact O-N 2.79Å; N68-K71 PolarHBondContact O-N 3.3Å; N68-K71 VanDerWaalsContact OD1-CE 3.27Å; N68-K71 WeakPolarHBondContact OD1-CE 3.49Å; N68-K71 PolarHBondContact OD1-NZ 3.37Å |
| 69 | S | 97.4 | Very high | 94.5 | Very high | 5 Ų | 5 | 48.1 Ų | 48.1 | 4% | 0.035 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -58.8 | -37.5 | 171.3 | -173.8 | 0 | 0 | 0 | 0 | 112.8 | P65 Y66 W67 Y149 S152 A154 | P65-S69 PolarHBondContact O-N 2.8Å; Y66-S69 WeakPolarHBondContact O-CB 3.31Å; W67-S69 VanDerWaalsContact C-N 3.25Å; W67-S69 PolarHBondContact O-N 3.04Å; S69-Y149 WeakPolarHBondContact CB-O 3.34Å; S69-Y149 PolarHBondContact OG-N 3.45Å; S69-Y149 PolarHBondContact OG-O 3.17Å; S69-S152 WeakPolarHBondContact CB-O 3.45Å; S69-S152 PolarHBondContact OG-O 3.49Å; S69-A154 WeakPolarHBondContact O-CB 3.2Å; S69-A154 PolarHBondContact O-N 3.1Å; S69-A154 WeakPolarHBondContact OG-CA 3.21Å; S69-A154 PolarHBondContact OG-N 2.9Å |
| 70 | L | 97 | Very high | 94.5 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -78.6 | -30.1 | 179.9 | -174.5 | 60.1 | 0 | 0 | 0 | 113.6 | L43 Y66 W67 N68 P72 L73 L74 I77 L119 I146 | L43-L70 HydrophobicContact CB-CD2 4.35Å; L43-L70 HydrophobicContact CD1-CD2 4.19Å; L43-L70 HydrophobicContact CD2-CD2 4.24Å; L43-L70 HydrophobicContact CG-CD2 4.49Å; Y66-L70 PolarHBondContact O-N 2.77Å; W67-L70 HydrophobicContact CE3-CD2 3.98Å; W67-L70 HydrophobicContact CZ3-CD2 3.79Å; W67-L70 WeakPolarHBondContact O-CA 3.38Å; W67-L70 WeakPolarHBondContact O-CB 3.38Å; W67-L70 PolarHBondContact O-N 2.81Å; N68-L70 VanDerWaalsContact C-N 3.28Å; N68-L70 PolarHBondContact O-N 2.79Å; L70-P72 VanDerWaalsContact C-CD 3.42Å; L70-P72 VanDerWaalsContact C-N 3.35Å; L70-P72 VanDerWaalsContact O-N 3.15Å; L70-L73 HydrophobicContact CD1-CB 4.44Å; L70-L73 HydrophobicContact CD1-CD1 4.46Å; L70-L73 WeakPolarHBondContact O-CB 3.1Å; L70-L73 PolarHBondContact O-N 2.85Å; L70-L74 HydrophobicContact CD2-CD2 4.09Å; L70-L74 HydrophobicContact CG-CD2 3.9Å; L70-L74 PolarHBondContact O-N 2.98Å; L70-I77 HydrophobicContact CD1-CD1 4.44Å; L70-L119 HydrophobicContact CD1-CD1 4.43Å; L70-L119 HydrophobicContact CD2-CD1 4.49Å; L70-I146 HydrophobicContact CD1-CD1 4.09Å; L70-I146 HydrophobicContact CD1-CG2 3.7Å |
| 71 | K | 96.6 | Very high | 94.5 | Very high | 55 Ų | 55 | 49 Ų | 49 | 24% | 0.239 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -45.4 | -46.1 | -172.9 | -79.2 | -175.6 | -177.9 | -176.1 | 0 | 114.8 | A54 D55 W67 N68 L73 L74 | A54-K71 WeakPolarHBondContact O-CE 3.31Å; D55-K71 IonicContact OD1-NZ 2.7Å; D55-K71 PolarHBondContact OD1-NZ 3.45Å; W67-K71 VanDerWaalsContact CD1-CE 3.49Å; W67-K71 WeakPolarHBondContact O-CG 3.19Å; W67-K71 PolarHBondContact O-N 2.79Å; N68-K71 PolarHBondContact O-N 3.3Å; N68-K71 VanDerWaalsContact OD1-CE 3.27Å; N68-K71 WeakPolarHBondContact OD1-CE 3.49Å; N68-K71 PolarHBondContact OD1-NZ 3.37Å; K71-L73 PolarHBondContact O-N 2.97Å; K71-L73 VanDerWaalsContact O-N 3.15Å; K71-L74 HydrophobicContact CB-CD1 4.42Å; K71-L74 HydrophobicContact CG-CD1 4.15Å; K71-L74 WeakPolarHBondContact O-CB 3.44Å; K71-L74 PolarHBondContact O-N 3.09Å; K71-L74 VanDerWaalsContact O-N 3.15Å |
| 72 | P | 95.4 | Very high | 94.5 | Very high | 68 Ų | 68 | 42.2 Ų | 42.2 | 44% | 0.442 | 24% | 0.235 | S | C | . | . | G | 310 helix | trans | -60 | -25.5 | 179.9 | -25.5 | 36 | 0 | 0 | 0 | 114.6 | L70 E153 | L70-P72 VanDerWaalsContact C-CD 3.42Å; L70-P72 VanDerWaalsContact C-N 3.35Å; L70-P72 VanDerWaalsContact O-N 3.15Å; P72-E153 HydrophobicContact CG-CG 4.27Å |
| 73 | L | 94.6 | Very high | 94.6 | Very high | 28 Ų | 28 | 41.6 Ų | 41.6 | 15% | 0.147 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -89.9 | -17 | -179 | -60.7 | 177 | 0 | 0 | 0 | 113.2 | L70 K71 P75 S76 I146 A154 I156 | L70-L73 HydrophobicContact CD1-CB 4.44Å; L70-L73 HydrophobicContact CD1-CD1 4.46Å; L70-L73 WeakPolarHBondContact O-CB 3.1Å; L70-L73 PolarHBondContact O-N 2.85Å; K71-L73 PolarHBondContact O-N 2.97Å; K71-L73 VanDerWaalsContact O-N 3.15Å; L73-P75 VanDerWaalsContact C-N 3.32Å; L73-S76 PolarHBondContact O-N 2.83Å; L73-I146 HydrophobicContact CD1-CD1 4.36Å; L73-I146 HydrophobicContact CD1-CG1 4.5Å; L73-I146 HydrophobicContact CD1-CG2 3.79Å; L73-A154 HydrophobicContact CD1-CB 3.81Å; L73-I156 HydrophobicContact CD1-CB 4.03Å; L73-I156 HydrophobicContact CD2-CB 4.45Å; L73-I156 HydrophobicContact CD2-CG2 4.09Å |
| 74 | L | 95.9 | Very high | 94.3 | Very high | 4 Ų | 4 | 43.1 Ų | 43.1 | 2% | 0.021 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -54.8 | -36.5 | -176.2 | -65.6 | 179.6 | 0 | 0 | 0 | 114.5 | L43 Y47 A54 W67 L70 K71 S76 I77 | L43-L74 HydrophobicContact CD1-CD2 3.77Å; Y47-L74 HydrophobicContact CD1-CD2 3.96Å; Y47-L74 HydrophobicContact CD2-CD1 4.33Å; Y47-L74 HydrophobicContact CE1-CB 3.94Å; Y47-L74 HydrophobicContact CE1-CD2 3.91Å; Y47-L74 HydrophobicContact CE1-CG 4.35Å; Y47-L74 HydrophobicContact CE2-CB 4.38Å; Y47-L74 HydrophobicContact CE2-CD1 4.12Å; Y47-L74 HydrophobicContact CG-CD2 4.47Å; Y47-L74 PolarHBondContact OH-O 3.2Å; A54-L74 HydrophobicContact CB-CD1 3.69Å; W67-L74 HydrophobicContact CH2-CD1 3.85Å; W67-L74 HydrophobicContact CH2-CD2 3.87Å; W67-L74 HydrophobicContact CZ2-CD1 3.64Å; W67-L74 HydrophobicContact CZ3-CD2 4.27Å; L70-L74 HydrophobicContact CD2-CD2 4.09Å; L70-L74 HydrophobicContact CG-CD2 3.9Å; L70-L74 PolarHBondContact O-N 2.98Å; K71-L74 HydrophobicContact CB-CD1 4.42Å; K71-L74 HydrophobicContact CG-CD1 4.15Å; K71-L74 WeakPolarHBondContact O-CB 3.44Å; K71-L74 PolarHBondContact O-N 3.09Å; K71-L74 VanDerWaalsContact O-N 3.15Å; L74-S76 PolarHBondContact O-N 3.29Å; L74-I77 HydrophobicContact CD2-CD1 4.46Å; L74-I77 PolarHBondContact O-N 3.13Å; L74-I77 VanDerWaalsContact O-N 3.08Å |
| 75 | P | 93.4 | Very high | 93.8 | Very high | 97 Ų | 97 | 39.9 Ų | 39.9 | 63% | 0.63 | 22% | 0.216 | S | C | * | . | G | 310 helix | trans | -62.3 | -22.2 | 176.5 | -25.5 | 36.5 | 0 | 0 | 0 | 114.6 | L73 | L73-P75 VanDerWaalsContact C-N 3.32Š|
| 76 | S | 93.3 | Very high | 93.3 | Very high | 21 Ų | 21 | 46.9 Ų | 46.9 | 15% | 0.147 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -88.6 | -9.8 | 176.6 | -60.2 | 0 | 0 | 0 | 0 | 113.2 | L73 L74 Y104 K105 | L73-S76 PolarHBondContact O-N 2.83Å; L74-S76 PolarHBondContact O-N 3.29Å; S76-Y104 WeakPolarHBondContact O-CA 3.18Å; S76-Y104 WeakPolarHBondContact O-CD2 3.17Å; S76-K105 PolarHBondContact O-N 2.59Å |
| 77 | I | 94.7 | Very high | 92.6 | Very high | 3 Ų | 3 | 49.6 Ų | 49.6 | 2% | 0.015 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 97.9 | -179.5 | -51.6 | 176.2 | 0 | 0 | 0 | 108 | L43 L48 L70 L74 L102 Y104 I146 | L43-I77 HydrophobicContact CD1-CD1 4.15Å; L43-I77 HydrophobicContact CD1-CG2 4.48Å; L43-I77 HydrophobicContact CD2-CD1 4.47Å; L48-I77 HydrophobicContact CD1-CG2 3.87Å; L48-I77 HydrophobicContact CD2-CG2 3.87Å; L48-I77 WeakPolarHBondContact CD2-O 3.29Å; L48-I77 HydrophobicContact CG-CG2 4.43Å; L70-I77 HydrophobicContact CD1-CD1 4.44Å; L74-I77 HydrophobicContact CD2-CD1 4.46Å; L74-I77 PolarHBondContact O-N 3.13Å; L74-I77 VanDerWaalsContact O-N 3.08Å; I77-L102 HydrophobicContact CG2-CD1 3.99Å; I77-L102 HydrophobicContact CG2-CD2 3.67Å; I77-L102 HydrophobicContact CG2-CG 4.37Å; I77-Y104 HydrophobicContact CG1-CD2 4.25Å; I77-I146 HydrophobicContact CD1-CD1 3.89Å |
| 78 | E | 91.8 | Very high | 92 | Very high | 65 Ų | 65 | 55 Ų | 55 | 30% | 0.304 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | -52.1 | -161.9 | -57.5 | -173 | 145.7 | 0 | 0 | 113.5 | K103 K105 D112 | E78-K103 HydrophobicContact CB-CB 4.25Å; E78-K103 PolarHBondContact N-O 2.93Å; E78-K105 HydrophobicContact CG-CB 4.35Å; E78-D112 WeakPolarHBondContact OE2-CB 3.36Å |
| 79 | E | 91.8 | Very high | 91.4 | Very high | 88 Ų | 88 | 53.2 Ų | 53.2 | 41% | 0.411 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 129.2 | -169.1 | -170.9 | -173.8 | 160.1 | 0 | 0 | 111.2 | L102 K103 | E79-L102 CarbonylContact O-C 3.59Å; E79-L102 WeakPolarHBondContact O-CA 3.21Å; E79-L102 WeakPolarHBondContact O-CB 3.17Å; E79-K103 HydrophobicContact CB-CB 4.08Å; E79-K103 HydrophobicContact CB-CD 4.14Å; E79-K103 HydrophobicContact CB-CG 4.24Å; E79-K103 PolarHBondContact O-N 2.82Å; E79-K103 WeakPolarHBondContact OE2-CD 3.43Å; E79-K103 VanDerWaalsContact OE2-CE 3.26Å; E79-K103 WeakPolarHBondContact OE2-CE 3.44Å; E79-K103 IonicContact OE2-NZ 3.87Å; E79-K103 PolarHBondContact OE2-NZ 2.86Å |
| 80 | L | 94.5 | Very high | 90.7 | Very high | 29 Ų | 29 | 57.5 Ų | 57.5 | 15% | 0.152 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 125 | 170.5 | -175.8 | 71.1 | 0 | 0 | 0 | 110 | T44 L48 T49 S82 R83 A100 | T44-L80 HydrophobicContact CG2-CD1 4.14Å; L48-L80 HydrophobicContact CB-CB 3.83Å; L48-L80 HydrophobicContact CD1-CB 4.03Å; L48-L80 HydrophobicContact CD1-CD1 4.24Å; T49-L80 WeakPolarHBondContact OG1-CD2 3.42Å; L80-S82 VanDerWaalsContact CD1-O 3.31Å; L80-S82 WeakPolarHBondContact CD1-O 3.46Å; L80-R83 HydrophobicContact CD1-CB 4.29Å; L80-R83 HydrophobicContact CD2-CB 4.09Å; L80-R83 HydrophobicContact CD2-CG 4.05Å; L80-A100 HydrophobicContact CD1-CB 3.83Å |
| 81 | I | 91.8 | Very high | 90.2 | Very high | 79 Ų | 79 | 68.1 Ų | 68.1 | 41% | 0.405 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | -42.5 | 173.7 | -65.8 | 163.6 | 0 | 0 | 0 | 110.1 | L101 K103 V114 | I81-L101 WeakPolarHBondContact CA-O 3.47Å; I81-L101 HydrophobicContact CB-CB 4.12Å; I81-L101 WeakPolarHBondContact CB-O 3.46Å; I81-L101 HydrophobicContact CG2-CB 4.37Å; I81-L101 PolarHBondContact N-O 2.79Å; I81-K103 HydrophobicContact CD1-CG 4.11Å; I81-V114 HydrophobicContact CD1-CB 4.01Å; I81-V114 HydrophobicContact CD1-CG1 3.52Å; I81-V114 HydrophobicContact CD1-CG2 3.47Å; I81-V114 VanDerWaalsContact CD1-CG2 3.47Å |
| 82 | S | 90.9 | Very high | 89.8 | Confident | 42 Ų | 42 | 67.7 Ų | 67.7 | 29% | 0.294 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 148.7 | 178.6 | -163.9 | 0 | 0 | 0 | 0 | 110.7 | L80 A100 L101 | L80-S82 VanDerWaalsContact CD1-O 3.31Å; L80-S82 WeakPolarHBondContact CD1-O 3.46Å; S82-A100 CarbonylContact O-C 3.47Å; S82-A100 WeakPolarHBondContact O-CA 3.11Å; S82-A100 WeakPolarHBondContact O-CB 3.37Å; S82-L101 PolarHBondContact N-O 3.08Å; S82-L101 PolarHBondContact O-N 3.43Å |
| 83 | R | 90.4 | Very high | 89.5 | Confident | 66 Ų | 66 | 68.5 Ų | 68.5 | 25% | 0.249 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 144.2 | 174.9 | 51.8 | 170.6 | -85.3 | 160.9 | -15.1 | 110.6 | E41 T44 L80 A85 | E41-R83 VanDerWaalsContact CD-NH2 3.33Å; E41-R83 IonicContact OE1-CZ 2.9Å; E41-R83 IonicContact OE1-NH1 3.86Å; E41-R83 IonicContact OE1-NH2 3.47Å; E41-R83 PolarHBondContact OE1-NH2 3.42Å; E41-R83 IonicContact OE2-CZ 3.27Å; E41-R83 IonicContact OE2-NH1 3.07Å; E41-R83 PolarHBondContact OE2-NH1 2.85Å; E41-R83 IonicContact OE2-NH2 2.81Å; E41-R83 PolarHBondContact OE2-NH2 2.95Å; T44-R83 HydrophobicContact CG2-CB 4.27Å; T44-R83 PolarHBondContact OG1-NH1 3.22Å; L80-R83 HydrophobicContact CD1-CB 4.29Å; L80-R83 HydrophobicContact CD2-CB 4.09Å; L80-R83 HydrophobicContact CD2-CG 4.05Å; R83-A85 PolarHBondContact O-N 3.26Å; R83-A85 VanDerWaalsContact O-N 3.14Å |
| 84 | E | 87.2 | Confident | 89.1 | Confident | 33 Ų | 33 | 68 Ų | 68 | 15% | 0.154 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 53 | 36.4 | 173.3 | -62 | -68.6 | 171.5 | 0 | 0 | 112.9 | R97 I98 D99 | E84-R97 VanDerWaalsContact OE2-CD 3.31Å; E84-R97 WeakPolarHBondContact OE2-CD 3.25Å; E84-R97 IonicContact OE2-CZ 3.5Å; E84-R97 IonicContact OE2-NE 2.73Å; E84-R97 PolarHBondContact OE2-NE 3.47Å; E84-R97 IonicContact OE2-NH1 3.65Å; E84-R97 PolarHBondContact OE2-NH1 3.46Å; E84-R97 IonicContact OE2-NH2 3.5Å; E84-R97 PolarHBondContact OE2-NH2 3Å; E84-R97 VanDerWaalsContact OE2-NH2 3.07Å; E84-I98 CarbonylContact C-O 3.57Å; E84-I98 WeakPolarHBondContact CA-O 3.38Å; E84-I98 PolarHBondContact N-O 2.64Å; E84-D99 PolarHBondContact N-O 2.86Å |
| 85 | A | 85.5 | Confident | 88.6 | Confident | 20 Ų | 20 | 75.3 Ų | 75.3 | 17% | 0.165 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 134.8 | -171.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | R83 R97 I98 | R83-A85 PolarHBondContact O-N 3.26Å; R83-A85 VanDerWaalsContact O-N 3.14Å; A85-R97 WeakPolarHBondContact O-CA 3.43Å; A85-I98 HydrophobicContact CB-CD1 4.16Å; A85-I98 HydrophobicContact CB-CG1 3.88Å; A85-I98 PolarHBondContact N-O 2.89Å; A85-I98 PolarHBondContact O-N 3.42Å |
| 86 | W | 85 | Confident | 88.1 | Confident | 179 Ų | 179 | 71.4 Ų | 71.4 | 68% | 0.678 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 128.6 | 171.2 | -76.1 | 95.3 | 0 | 0 | 0 | 110.6 | K95 G96 R97 | W86-K95 HydrophobicContact CZ3-CD 4.49Å; W86-G96 WeakPolarHBondContact CA-O 3.42Å; W86-R97 HydrophobicContact CD2-CB 4.41Å; W86-R97 HydrophobicContact CE3-CB 4.35Å; W86-R97 HydrophobicContact CZ3-CB 4.45Å |
| 87 | I | 83.4 | Confident | 87.8 | Confident | 69 Ų | 69 | 77 Ų | 77 | 35% | 0.354 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 133.4 | 172 | -57.6 | -62.4 | 0 | 0 | 0 | 108.2 | K95 G96 I98 | I87-K95 CarbonylContact O-C 3.53Å; I87-K95 WeakPolarHBondContact O-CA 3.44Å; I87-K95 WeakPolarHBondContact O-CB 3.25Å; I87-G96 PolarHBondContact N-O 2.88Å; I87-G96 PolarHBondContact O-N 3.08Å; I87-I98 HydrophobicContact CD1-CD1 4.45Å; I87-I98 HydrophobicContact CG1-CD1 4.37Å; I87-I98 HydrophobicContact CG1-CG2 4.12Å |
| 88 | N | 84.2 | Confident | 87.4 | Confident | 119 Ų | 119 | 77.1 Ų | 77.1 | 64% | 0.636 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 123.6 | 171.6 | 177.7 | 31.2 | 0 | 0 | 0 | 108.7 | ||
| 89 | H | 83.9 | Confident | 87.4 | Confident | 47 Ų | 47 | 75 Ų | 75 | 22% | 0.218 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 86.7 | 171.8 | -168.4 | -79.6 | 0 | 0 | 0 | 110.1 | R91 L92 C93 Y94 Q138 | H89-R91 VanDerWaalsContact C-N 3.31Å; H89-R91 PolarHBondContact O-N 2.86Å; H89-L92 VanDerWaalsContact CE1-CG 3.45Å; H89-L92 WeakPolarHBondContact CE1-CG 2.99Å; H89-L92 VanDerWaalsContact ND1-CB 3.26Å; H89-L92 WeakPolarHBondContact ND1-CB 3.26Å; H89-L92 WeakPolarHBondContact ND1-CG 3.37Å; H89-L92 PolarHBondContact ND1-N 2.59Å; H89-L92 CarbonylContact O-C 3.5Å; H89-L92 PolarHBondContact O-N 2.82Å; H89-C93 PolarHBondContact O-N 3.49Å; H89-Y94 HydrophobicContact CB-CD1 3.84Å; H89-Y94 HydrophobicContact CB-CE1 3.35Å; H89-Y94 HydrophobicContact CB-CE2 4.41Å; H89-Y94 AromaticContact CG-CE1 3.85Å; H89-Y94 PolarHBondContact N-O 2.88Å; H89-Q138 PolarHBondContact CD2-NE2 2.96Å; H89-Q138 PolarHBondContact CD2-OE1 2.87Å; H89-Q138 PolarHBondContact CE1-NE2 2.86Å; H89-Q138 PolarHBondContact NE2-NE2 2.86Å; H89-Q138 PolarHBondContact NE2-OE1 3.05Å |
| 90 | S | 83.1 | Confident | 87.4 | Confident | 95 Ų | 95 | 70.8 Ų | 70.8 | 66% | 0.664 | 34% | 0.343 | S | S | * | . | G | 310 helix | trans | -50.2 | -44.6 | -173.4 | 55.4 | 0 | 0 | 0 | 0 | 113.9 | L92 C93 | S90-L92 VanDerWaalsContact C-N 3.31Å; S90-L92 PolarHBondContact O-N 2.94Å; S90-C93 PolarHBondContact O-N 2.81Å; S90-C93 PolarHBondContact O-SG 2.83Å |
| 91 | R | 87.1 | Confident | 87.3 | Confident | 224 Ų | 224 | 71.1 Ų | 71.1 | 85% | 0.845 | 35% | 0.345 | S | S | * | . | G | 310 helix | trans | -68.7 | -25.9 | -178.4 | 178.9 | 176.2 | 178.7 | -178.1 | 1.6 | 114.3 | H89 | H89-R91 VanDerWaalsContact C-N 3.31Å; H89-R91 PolarHBondContact O-N 2.86Å |
| 92 | L | 87.5 | Confident | 87.4 | Confident | 46 Ų | 46 | 67.4 Ų | 67.4 | 24% | 0.241 | 33% | 0.325 | C | S | . | . | G | 310 helix | trans | -105.8 | 4.5 | 178.3 | -66.7 | 170.7 | 0 | 0 | 0 | 111.7 | H89 S90 Y94 W168 L172 L175 W179 | H89-L92 VanDerWaalsContact CE1-CG 3.45Å; H89-L92 WeakPolarHBondContact CE1-CG 2.99Å; H89-L92 VanDerWaalsContact ND1-CB 3.26Å; H89-L92 WeakPolarHBondContact ND1-CB 3.26Å; H89-L92 WeakPolarHBondContact ND1-CG 3.37Å; H89-L92 PolarHBondContact ND1-N 2.59Å; H89-L92 CarbonylContact O-C 3.5Å; H89-L92 PolarHBondContact O-N 2.82Å; S90-L92 VanDerWaalsContact C-N 3.31Å; S90-L92 PolarHBondContact O-N 2.94Å; L92-Y94 HydrophobicContact CB-CD1 3.71Å; L92-Y94 HydrophobicContact CB-CE1 4.02Å; L92-Y94 HydrophobicContact CD1-CD1 4.49Å; L92-Y94 HydrophobicContact CD1-CE1 4.04Å; L92-Y94 PolarHBondContact O-N 3Å; L92-W168 HydrophobicContact CD1-CH2 3.8Å; L92-W168 HydrophobicContact CD1-CZ2 3.55Å; L92-L172 HydrophobicContact CD1-CD2 3.69Å; L92-L172 HydrophobicContact CD2-CD2 4.09Å; L92-L175 HydrophobicContact CB-CD2 3.88Å; L92-L175 HydrophobicContact CD1-CD2 4.48Å; L92-W179 PolarHBondContact O-NE1 2.99Å |
| 93 | C | 89.1 | Confident | 87.4 | Confident | 85 Ų | 85 | 69 Ų | 69 | 57% | 0.574 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.8 | 22 | 176.2 | -58.6 | 0 | 0 | 0 | 0 | 115.5 | H89 S90 W179 | H89-C93 PolarHBondContact O-N 3.49Å; S90-C93 PolarHBondContact O-N 2.81Å; S90-C93 PolarHBondContact O-SG 2.83Å; C93-W179 HydrophobicContact CB-CH2 3.93Å; C93-W179 HydrophobicContact CB-CZ2 3.5Å; C93-W179 VanDerWaalsContact O-CZ2 3.24Å; C93-W179 WeakPolarHBondContact O-CZ2 3.43Å |
| 94 | Y | 85.9 | Confident | 87.5 | Confident | 18 Ų | 18 | 65.9 Ų | 65.9 | 7% | 0.071 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 151.7 | 177.6 | 84.3 | -90.6 | 0 | 0 | 0 | 111.5 | H89 L92 P136 Q138 W168 W171 L175 | H89-Y94 HydrophobicContact CB-CD1 3.84Å; H89-Y94 HydrophobicContact CB-CE1 3.35Å; H89-Y94 HydrophobicContact CB-CE2 4.41Å; H89-Y94 AromaticContact CG-CE1 3.85Å; H89-Y94 PolarHBondContact N-O 2.88Å; L92-Y94 HydrophobicContact CB-CD1 3.71Å; L92-Y94 HydrophobicContact CB-CE1 4.02Å; L92-Y94 HydrophobicContact CD1-CD1 4.49Å; L92-Y94 HydrophobicContact CD1-CE1 4.04Å; L92-Y94 PolarHBondContact O-N 3Å; Y94-P136 HydrophobicContact CD2-CB 4.49Å; Y94-P136 HydrophobicContact CE2-CB 3.4Å; Y94-P136 HydrophobicContact CE2-CG 4.19Å; Y94-P136 WeakPolarHBondContact OH-CB 3.4Å; Y94-Q138 VanDerWaalsContact CE1-OE1 3.22Å; Y94-Q138 VanDerWaalsContact CZ-OE1 3.3Å; Y94-Q138 PolarHBondContact OH-OE1 3.25Å; Y94-W168 AromaticContact CE1-CH2 3.91Å; Y94-W168 HydrophobicContact CE1-CH2 3.91Å; Y94-W171 HydrophobicContact CD2-CZ2 4.28Å; Y94-W171 HydrophobicContact CG-CZ2 4.4Å; Y94-L175 HydrophobicContact CD1-CD2 3.73Å; Y94-L175 HydrophobicContact CE1-CD2 4.44Å; Y94-L175 HydrophobicContact CG-CD2 4.39Å |
| 95 | K | 85.3 | Confident | 87.7 | Confident | 156 Ų | 156 | 69.2 Ų | 69.2 | 68% | 0.678 | 33% | 0.33 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 149.7 | 171.1 | 63.1 | -176.9 | 178.5 | -178.2 | 0 | 109.7 | W86 I87 | W86-K95 HydrophobicContact CZ3-CD 4.49Å; I87-K95 CarbonylContact O-C 3.53Å; I87-K95 WeakPolarHBondContact O-CA 3.44Å; I87-K95 WeakPolarHBondContact O-CB 3.25Å |
| 96 | G | 84.9 | Confident | 87.5 | Confident | 16 Ų | 16 | 68.7 Ų | 68.7 | 17% | 0.165 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 166.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | W86 I87 | W86-G96 WeakPolarHBondContact CA-O 3.42Å; I87-G96 PolarHBondContact N-O 2.88Å; I87-G96 PolarHBondContact O-N 3.08Å |
| 97 | R | 85.9 | Confident | 86.7 | Confident | 137 Ų | 137 | 66.5 Ų | 66.5 | 52% | 0.517 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 133.2 | 171.5 | -168.2 | 175.5 | 68.4 | 157.5 | 13.7 | 107.8 | E84 A85 W86 | E84-R97 VanDerWaalsContact OE2-CD 3.31Å; E84-R97 WeakPolarHBondContact OE2-CD 3.25Å; E84-R97 IonicContact OE2-CZ 3.5Å; E84-R97 IonicContact OE2-NE 2.73Å; E84-R97 PolarHBondContact OE2-NE 3.47Å; E84-R97 IonicContact OE2-NH1 3.65Å; E84-R97 PolarHBondContact OE2-NH1 3.46Å; E84-R97 IonicContact OE2-NH2 3.5Å; E84-R97 PolarHBondContact OE2-NH2 3Å; E84-R97 VanDerWaalsContact OE2-NH2 3.07Å; A85-R97 WeakPolarHBondContact O-CA 3.43Å; W86-R97 HydrophobicContact CD2-CB 4.41Å; W86-R97 HydrophobicContact CE3-CB 4.35Å; W86-R97 HydrophobicContact CZ3-CB 4.45Å |
| 98 | I | 87.2 | Confident | 85.9 | Confident | 6 Ų | 6 | 69.7 Ų | 69.7 | 3% | 0.031 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 145.6 | 176.7 | 63.9 | 174.6 | 0 | 0 | 0 | 109.2 | E84 A85 I87 L101 L116 | E84-I98 CarbonylContact C-O 3.57Å; E84-I98 WeakPolarHBondContact CA-O 3.38Å; E84-I98 PolarHBondContact N-O 2.64Å; A85-I98 HydrophobicContact CB-CD1 4.16Å; A85-I98 HydrophobicContact CB-CG1 3.88Å; A85-I98 PolarHBondContact N-O 2.89Å; A85-I98 PolarHBondContact O-N 3.42Å; I87-I98 HydrophobicContact CD1-CD1 4.45Å; I87-I98 HydrophobicContact CG1-CD1 4.37Å; I87-I98 HydrophobicContact CG1-CG2 4.12Å; I98-L101 HydrophobicContact CD1-CD1 4.12Å; I98-L101 HydrophobicContact CD1-CD2 3.9Å; I98-L101 HydrophobicContact CD1-CG 3.68Å; I98-L116 HydrophobicContact CB-CD1 4.08Å; I98-L116 HydrophobicContact CD1-CD1 4.29Å; I98-L116 HydrophobicContact CG2-CD1 3.69Å |
| 99 | D | 91.1 | Very high | 84.9 | Confident | 20 Ų | 20 | 69.7 Ų | 69.7 | 11% | 0.107 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | -52.9 | -177.2 | -58.4 | -26.6 | 0 | 0 | 0 | 110.9 | H40 E84 L117 E118 L119 | H40-D99 IonicContact CE1-OD1 2.65Å; H40-D99 IonicContact CE1-OD2 3.27Å; H40-D99 PolarHBondContact CE1-OD2 3.15Å; H40-D99 VanDerWaalsContact CE1-OD2 3.23Å; E84-D99 PolarHBondContact N-O 2.86Å; D99-L117 WeakPolarHBondContact CB-O 3.16Å; D99-E118 VanDerWaalsContact OD2-CA 3.31Å; D99-E118 WeakPolarHBondContact OD2-CA 3.41Å; D99-L119 PolarHBondContact OD2-N 3.34Å |
| 100 | A | 92.5 | Very high | 83.9 | Confident | 0 Ų | 0 | 74.9 Ų | 74.9 | 0% | 0 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159 | 157.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | T44 L80 S82 L117 | T44-A100 HydrophobicContact CG2-CB 4.14Å; L80-A100 HydrophobicContact CD1-CB 3.83Å; S82-A100 CarbonylContact O-C 3.47Å; S82-A100 WeakPolarHBondContact O-CA 3.11Å; S82-A100 WeakPolarHBondContact O-CB 3.37Å; A100-L117 HydrophobicContact CB-CB 4.24Å; A100-L117 HydrophobicContact CB-CD2 4.3Å; A100-L117 PolarHBondContact N-O 2.79Å; A100-L117 PolarHBondContact O-N 2.79Å |
| 101 | L | 91.4 | Very high | 83.4 | Confident | 37 Ų | 37 | 79.5 Ų | 79.5 | 19% | 0.194 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 132.6 | 159.2 | -65.8 | 174.1 | 0 | 0 | 0 | 107.9 | I81 S82 I98 V115 L116 I140 | I81-L101 WeakPolarHBondContact CA-O 3.47Å; I81-L101 HydrophobicContact CB-CB 4.12Å; I81-L101 WeakPolarHBondContact CB-O 3.46Å; I81-L101 HydrophobicContact CG2-CB 4.37Å; I81-L101 PolarHBondContact N-O 2.79Å; S82-L101 PolarHBondContact N-O 3.08Å; S82-L101 PolarHBondContact O-N 3.43Å; I98-L101 HydrophobicContact CD1-CD1 4.12Å; I98-L101 HydrophobicContact CD1-CD2 3.9Å; I98-L101 HydrophobicContact CD1-CG 3.68Å; L101-V115 WeakPolarHBondContact CA-O 3.22Å; L101-L116 HydrophobicContact CD2-CB 4.33Å; L101-I140 HydrophobicContact CD2-CD1 3.85Å |
| 102 | L | 93 | Very high | 83 | Confident | 0 Ų | 0 | 72.7 Ų | 72.7 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 161 | -176.6 | 59.3 | 83.5 | 0 | 0 | 0 | 112.3 | I77 E79 V114 V115 L117 I144 | I77-L102 HydrophobicContact CG2-CD1 3.99Å; I77-L102 HydrophobicContact CG2-CD2 3.67Å; I77-L102 HydrophobicContact CG2-CG 4.37Å; E79-L102 CarbonylContact O-C 3.59Å; E79-L102 WeakPolarHBondContact O-CA 3.21Å; E79-L102 WeakPolarHBondContact O-CB 3.17Å; L102-V114 CarbonylContact O-C 3.5Å; L102-V114 WeakPolarHBondContact O-CA 3.47Å; L102-V115 HydrophobicContact CD1-CG2 3.51Å; L102-V115 HydrophobicContact CG-CG2 4.11Å; L102-V115 PolarHBondContact N-O 2.91Å; L102-V115 VanDerWaalsContact N-O 3.08Å; L102-V115 PolarHBondContact O-N 2.83Å; L102-L117 HydrophobicContact CD2-CB 3.75Å; L102-L117 HydrophobicContact CD2-CD2 3.63Å; L102-L117 HydrophobicContact CD2-CG 4.24Å; L102-L117 HydrophobicContact CG-CB 4.34Å; L102-I144 HydrophobicContact CD1-CD1 4.32Å |
| 103 | K | 92.1 | Very high | 83 | Confident | 75 Ų | 75 | 75.6 Ų | 75.6 | 33% | 0.326 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 126.3 | 163.9 | -67.9 | -175.1 | -175 | 158.9 | 0 | 109.3 | E78 E79 I81 R113 | E78-K103 HydrophobicContact CB-CB 4.25Å; E78-K103 PolarHBondContact N-O 2.93Å; E79-K103 HydrophobicContact CB-CB 4.08Å; E79-K103 HydrophobicContact CB-CD 4.14Å; E79-K103 HydrophobicContact CB-CG 4.24Å; E79-K103 PolarHBondContact O-N 2.82Å; E79-K103 WeakPolarHBondContact OE2-CD 3.43Å; E79-K103 VanDerWaalsContact OE2-CE 3.26Å; E79-K103 WeakPolarHBondContact OE2-CE 3.44Å; E79-K103 IonicContact OE2-NZ 3.87Å; E79-K103 PolarHBondContact OE2-NZ 2.86Å; I81-K103 HydrophobicContact CD1-CG 4.11Å; K103-R113 WeakPolarHBondContact CA-O 3.27Å |
| 104 | Y | 92.6 | Very high | 82.9 | Confident | 2 Ų | 2 | 75.2 Ų | 75.2 | 1% | 0.008 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 132.6 | 179.6 | 178.1 | -99 | 0 | 0 | 0 | 110.6 | S76 I77 Y106 D112 R113 V115 I144 I156 E158 | S76-Y104 WeakPolarHBondContact O-CA 3.18Å; S76-Y104 WeakPolarHBondContact O-CD2 3.17Å; I77-Y104 HydrophobicContact CG1-CD2 4.25Å; Y104-Y106 HydrophobicContact CD1-CD1 4.28Å; Y104-Y106 AromaticContact CD1-CD2 3.68Å; Y104-Y106 HydrophobicContact CD1-CD2 3.68Å; Y104-Y106 HydrophobicContact CD1-CE1 4.24Å; Y104-Y106 AromaticContact CD1-CE2 3.61Å; Y104-Y106 HydrophobicContact CD1-CE2 3.61Å; Y104-Y106 HydrophobicContact CD1-CG 4.01Å; Y104-Y106 AromaticContact CD1-CZ 3.9Å; Y104-Y106 AromaticContact CE1-CD1 4Å; Y104-Y106 HydrophobicContact CE1-CD1 4Å; Y104-Y106 HydrophobicContact CE1-CD2 4.16Å; Y104-Y106 HydrophobicContact CE1-CE1 4.14Å; Y104-Y106 HydrophobicContact CE1-CE2 4.27Å; Y104-Y106 AromaticContact CE1-CG 4Å; Y104-Y106 HydrophobicContact CE1-CG 4Å; Y104-Y106 PolarHBondContact O-N 3.48Å; Y104-D112 WeakPolarHBondContact O-CA 3.19Å; Y104-R113 PolarHBondContact N-O 3.38Å; Y104-R113 PolarHBondContact O-N 3.26Å; Y104-V115 HydrophobicContact CG-CG2 4.36Å; Y104-I144 HydrophobicContact CD1-CG2 4.13Å; Y104-I144 HydrophobicContact CD2-CD1 3.74Å; Y104-I144 HydrophobicContact CE1-CG2 4.22Å; Y104-I144 HydrophobicContact CE2-CD1 4.17Å; Y104-I144 HydrophobicContact CG-CD1 4.02Å; Y104-I144 HydrophobicContact CG-CG2 4.47Å; Y104-I156 HydrophobicContact CE1-CD1 4.43Å; Y104-I156 HydrophobicContact CE2-CD1 3.65Å; Y104-I156 VanDerWaalsContact CZ-CD1 3.5Å; Y104-I156 WeakPolarHBondContact OH-CD1 3.2Å; Y104-E158 HydrophobicContact CE1-CG 4.32Å; Y104-E158 WeakPolarHBondContact CE1-OE1 3.42Å; Y104-E158 PolarHBondContact OH-OE1 3.31Å |
| 105 | K | 91.1 | Very high | 83.2 | Confident | 103 Ų | 103 | 74.4 Ų | 74.4 | 45% | 0.448 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 103.9 | 177 | -175.7 | 173.5 | -179.5 | 175.9 | 0 | 110.3 | S76 E78 I107 | S76-K105 PolarHBondContact O-N 2.59Å; E78-K105 HydrophobicContact CG-CB 4.35Å; K105-I107 PolarHBondContact O-N 2.89Å |
| 106 | Y | 81.1 | Confident | 83.5 | Confident | 8 Ų | 8 | 67.1 Ų | 67.1 | 3% | 0.031 | 31% | 0.312 | C | S | . | . | trans | -70.8 | 126.3 | 173.8 | -76.1 | -93.3 | 0 | 0 | 0 | 110.8 | Y104 L108 Y109 R113 V115 S142 E158 | Y104-Y106 HydrophobicContact CD1-CD1 4.28Å; Y104-Y106 AromaticContact CD1-CD2 3.68Å; Y104-Y106 HydrophobicContact CD1-CD2 3.68Å; Y104-Y106 HydrophobicContact CD1-CE1 4.24Å; Y104-Y106 AromaticContact CD1-CE2 3.61Å; Y104-Y106 HydrophobicContact CD1-CE2 3.61Å; Y104-Y106 HydrophobicContact CD1-CG 4.01Å; Y104-Y106 AromaticContact CD1-CZ 3.9Å; Y104-Y106 AromaticContact CE1-CD1 4Å; Y104-Y106 HydrophobicContact CE1-CD1 4Å; Y104-Y106 HydrophobicContact CE1-CD2 4.16Å; Y104-Y106 HydrophobicContact CE1-CE1 4.14Å; Y104-Y106 HydrophobicContact CE1-CE2 4.27Å; Y104-Y106 AromaticContact CE1-CG 4Å; Y104-Y106 HydrophobicContact CE1-CG 4Å; Y104-Y106 PolarHBondContact O-N 3.48Å; Y106-L108 PolarHBondContact O-N 2.99Å; Y106-Y109 AromaticContact CD1-CD2 3.81Å; Y106-Y109 HydrophobicContact CD1-CD2 3.81Å; Y106-Y109 HydrophobicContact CD1-CE2 4.27Å; Y106-Y109 AromaticContact CG-CD2 3.89Å; Y106-Y109 HydrophobicContact CG-CD2 3.89Å; Y106-Y109 PolarHBondContact O-N 3.21Å; Y106-R113 HydrophobicContact CD2-CB 4.24Å; Y106-R113 HydrophobicContact CD2-CG 4.16Å; Y106-R113 HydrophobicContact CE2-CB 3.88Å; Y106-R113 HydrophobicContact CE2-CG 4.15Å; Y106-V115 HydrophobicContact CE2-CG1 3.63Å; Y106-V115 WeakPolarHBondContact OH-CG1 3.29Å; Y106-S142 WeakPolarHBondContact OH-CB 3.26Å; Y106-E158 VanDerWaalsContact CD1-CD 3.41Å; Y106-E158 HydrophobicContact CD1-CG 4.1Å; Y106-E158 WeakPolarHBondContact CD1-OE2 3.16Å; Y106-E158 HydrophobicContact CE1-CB 3.87Å; Y106-E158 HydrophobicContact CE1-CG 3.68Å | ||
| 107 | I | 68.3 | Low | 83.8 | Confident | 134 Ų | 134 | 66.4 Ų | 66.4 | 69% | 0.687 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -39.4 | 174.5 | -64.2 | 171.4 | 0 | 0 | 0 | 110.3 | K105 | K105-I107 PolarHBondContact O-N 2.89Š|
| 108 | L | 66.5 | Low | 84.1 | Confident | 135 Ų | 135 | 61.2 Ų | 61.2 | 71% | 0.707 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | -23 | -174.5 | -65.8 | 176.5 | 0 | 0 | 0 | 114.9 | Y106 | Y106-L108 PolarHBondContact O-N 2.99Š|
| 109 | Y | 63.3 | Low | 84.4 | Confident | 120 Ų | 120 | 61.1 Ų | 61.1 | 47% | 0.471 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.6 | 0.3 | -167.6 | -64.2 | -71.9 | 0 | 0 | 0 | 115 | Y106 R111 | Y106-Y109 AromaticContact CD1-CD2 3.81Å; Y106-Y109 HydrophobicContact CD1-CD2 3.81Å; Y106-Y109 HydrophobicContact CD1-CE2 4.27Å; Y106-Y109 AromaticContact CG-CD2 3.89Å; Y106-Y109 HydrophobicContact CG-CD2 3.89Å; Y106-Y109 PolarHBondContact O-N 3.21Å; Y109-R111 PolarHBondContact O-N 2.89Å |
| 110 | L | 62.6 | Low | 84.3 | Confident | 156 Ų | 156 | 63.1 Ų | 63.1 | 82% | 0.817 | 29% | 0.293 | S | S | * | . | S | Bend | trans | 47.4 | 20.6 | 178 | -62.2 | 178.3 | 0 | 0 | 0 | 114.7 | ||
| 111 | R | 74.1 | Confident | 84.1 | Confident | 191 Ų | 191 | 65 Ų | 65 | 72% | 0.721 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -146.9 | 142.3 | -179.4 | -67.3 | -171.4 | -176.9 | -175.9 | 1.2 | 109.6 | Y109 | Y109-R111 PolarHBondContact O-N 2.89Š|
| 112 | D | 78.2 | Confident | 83.9 | Confident | 82 Ų | 82 | 63.9 Ų | 63.9 | 44% | 0.439 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 143.5 | 178.7 | -37.9 | -36.7 | 0 | 0 | 0 | 108.5 | E78 Y104 | E78-D112 WeakPolarHBondContact OE2-CB 3.36Å; Y104-D112 WeakPolarHBondContact O-CA 3.19Å |
| 113 | R | 86.2 | Confident | 83.3 | Confident | 107 Ų | 107 | 68.4 Ų | 68.4 | 40% | 0.404 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 150.1 | 174.1 | -60 | -169.5 | 174.7 | -154.1 | -0.3 | 110.4 | K103 Y104 Y106 V115 | K103-R113 WeakPolarHBondContact CA-O 3.27Å; Y104-R113 PolarHBondContact N-O 3.38Å; Y104-R113 PolarHBondContact O-N 3.26Å; Y106-R113 HydrophobicContact CD2-CB 4.24Å; Y106-R113 HydrophobicContact CD2-CG 4.16Å; Y106-R113 HydrophobicContact CE2-CB 3.88Å; Y106-R113 HydrophobicContact CE2-CG 4.15Å; R113-V115 HydrophobicContact CB-CG1 4.29Å; R113-V115 PolarHBondContact O-N 2.74Å |
| 114 | V | 88.1 | Confident | 82.7 | Confident | 77 Ų | 77 | 73.1 Ų | 73.1 | 47% | 0.467 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 121.2 | 165.2 | 179.4 | 0 | 0 | 0 | 0 | 108.2 | I81 L102 | I81-V114 HydrophobicContact CD1-CB 4.01Å; I81-V114 HydrophobicContact CD1-CG1 3.52Å; I81-V114 HydrophobicContact CD1-CG2 3.47Å; I81-V114 VanDerWaalsContact CD1-CG2 3.47Å; L102-V114 CarbonylContact O-C 3.5Å; L102-V114 WeakPolarHBondContact O-CA 3.47Å |
| 115 | V | 91.2 | Very high | 81.2 | Confident | 0 Ų | 0 | 78.1 Ų | 78.1 | 0% | 0 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 150.3 | -179.2 | -57.1 | 0 | 0 | 0 | 0 | 111 | L101 L102 Y104 Y106 R113 S142 I144 | L101-V115 WeakPolarHBondContact CA-O 3.22Å; L102-V115 HydrophobicContact CD1-CG2 3.51Å; L102-V115 HydrophobicContact CG-CG2 4.11Å; L102-V115 PolarHBondContact N-O 2.91Å; L102-V115 VanDerWaalsContact N-O 3.08Å; L102-V115 PolarHBondContact O-N 2.83Å; Y104-V115 HydrophobicContact CG-CG2 4.36Å; Y106-V115 HydrophobicContact CE2-CG1 3.63Å; Y106-V115 WeakPolarHBondContact OH-CG1 3.29Å; R113-V115 HydrophobicContact CB-CG1 4.29Å; R113-V115 PolarHBondContact O-N 2.74Å; V115-S142 VanDerWaalsContact CA-O 3.31Å; V115-S142 WeakPolarHBondContact CA-O 3.38Å; V115-I144 HydrophobicContact CG2-CD1 3.89Å; V115-I144 HydrophobicContact CG2-CG1 3.88Å; V115-I144 HydrophobicContact CG2-CG2 4.33Å |
| 116 | L | 91.4 | Very high | 80.3 | Confident | 4 Ų | 4 | 76.2 Ų | 76.2 | 2% | 0.021 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 126.6 | 160.6 | -173.3 | 140.4 | 0 | 0 | 0 | 109.1 | I98 L101 E118 I140 S142 A143 I144 | I98-L116 HydrophobicContact CB-CD1 4.08Å; I98-L116 HydrophobicContact CD1-CD1 4.29Å; I98-L116 HydrophobicContact CG2-CD1 3.69Å; L101-L116 HydrophobicContact CD2-CB 4.33Å; L116-E118 HydrophobicContact CD2-CB 4.5Å; L116-I140 HydrophobicContact CB-CD1 3.59Å; L116-I140 HydrophobicContact CB-CG2 4Å; L116-I140 HydrophobicContact CD1-CD1 3.39Å; L116-I140 HydrophobicContact CG-CD1 4.08Å; L116-S142 PolarHBondContact N-O 2.92Å; L116-A143 HydrophobicContact CB-CB 4.02Å; L116-A143 HydrophobicContact CD2-CB 4.44Å; L116-A143 CarbonylContact O-C 3.53Å; L116-A143 WeakPolarHBondContact O-CA 3.27Å; L116-I144 PolarHBondContact O-N 3.34Å |
| 117 | L | 93 | Very high | 79.4 | Confident | 0 Ų | 0 | 81.4 Ų | 81.4 | 0% | 0 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 130.4 | 168.1 | 171.6 | 66.5 | 0 | 0 | 0 | 109.1 | L43 D99 A100 L102 L119 I144 I146 | L43-L117 HydrophobicContact CD2-CD2 3.51Å; D99-L117 WeakPolarHBondContact CB-O 3.16Å; A100-L117 HydrophobicContact CB-CB 4.24Å; A100-L117 HydrophobicContact CB-CD2 4.3Å; A100-L117 PolarHBondContact N-O 2.79Å; A100-L117 PolarHBondContact O-N 2.79Å; L102-L117 HydrophobicContact CD2-CB 3.75Å; L102-L117 HydrophobicContact CD2-CD2 3.63Å; L102-L117 HydrophobicContact CD2-CG 4.24Å; L102-L117 HydrophobicContact CG-CB 4.34Å; L117-L119 HydrophobicContact CD1-CB 4.32Å; L117-L119 HydrophobicContact CD2-CB 4.23Å; L117-L119 HydrophobicContact CG-CB 4.22Å; L117-I144 HydrophobicContact CB-CG1 4.3Å; L117-I144 HydrophobicContact CD1-CD1 3.95Å; L117-I144 HydrophobicContact CD1-CG1 3.83Å; L117-I146 HydrophobicContact CD1-CB 4.32Å; L117-I146 HydrophobicContact CD1-CD1 3.75Å; L117-I146 HydrophobicContact CD1-CG1 3.83Å |
| 118 | E | 91.3 | Very high | 79.2 | Confident | 28 Ų | 28 | 78.7 Ų | 78.7 | 13% | 0.131 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 119.7 | 156.7 | -179 | 88.1 | -170.6 | 0 | 0 | 107.6 | D99 L116 K120 S135 I144 I145 I146 | D99-E118 VanDerWaalsContact OD2-CA 3.31Å; D99-E118 WeakPolarHBondContact OD2-CA 3.41Å; L116-E118 HydrophobicContact CD2-CB 4.5Å; E118-K120 HydrophobicContact CG-CD 4.45Å; E118-K120 HydrophobicContact CG-CG 4.2Å; E118-K120 VanDerWaalsContact OE1-CE 3.29Å; E118-K120 WeakPolarHBondContact OE1-CE 3.45Å; E118-K120 IonicContact OE1-NZ 2.88Å; E118-K120 PolarHBondContact OE1-NZ 3.02Å; E118-S135 PolarHBondContact OE2-OG 2.86Å; E118-I144 PolarHBondContact N-O 2.92Å; E118-I145 HydrophobicContact CB-CB 4.46Å; E118-I145 HydrophobicContact CB-CG1 4.19Å; E118-I145 HydrophobicContact CB-CG2 4.01Å; E118-I145 HydrophobicContact CG-CG2 4.06Å; E118-I145 WeakPolarHBondContact O-CA 3.48Å; E118-I145 WeakPolarHBondContact O-CG2 3.35Å; E118-I146 PolarHBondContact O-N 2.87Å |
| 119 | L | 93.3 | Very high | 78.9 | Confident | 5 Ų | 5 | 73.5 Ų | 73.5 | 3% | 0.026 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 125.3 | -178.2 | 177.6 | 68.3 | 0 | 0 | 0 | 109.6 | L39 H40 L43 L70 D99 L117 I146 | L39-L119 HydrophobicContact CD2-CD1 4.29Å; L39-L119 HydrophobicContact CD2-CD2 4.15Å; L39-L119 HydrophobicContact CD2-CG 4.18Å; L39-L119 HydrophobicContact CG-CD2 4.02Å; H40-L119 PolarHBondContact CE1-O 3.15Å; H40-L119 PolarHBondContact NE2-O 2.65Å; L43-L119 HydrophobicContact CB-CD2 4.38Å; L43-L119 HydrophobicContact CD2-CD2 3.87Å; L70-L119 HydrophobicContact CD1-CD1 4.43Å; L70-L119 HydrophobicContact CD2-CD1 4.49Å; D99-L119 PolarHBondContact OD2-N 3.34Å; L117-L119 HydrophobicContact CD1-CB 4.32Å; L117-L119 HydrophobicContact CD2-CB 4.23Å; L117-L119 HydrophobicContact CG-CB 4.22Å; L119-I146 HydrophobicContact CD1-CB 3.92Å; L119-I146 HydrophobicContact CD1-CG2 4.07Å |
| 120 | K | 90.1 | Very high | 78.8 | Confident | 61 Ų | 61 | 72.3 Ų | 72.3 | 27% | 0.265 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 144.5 | -175.5 | -63.9 | -168.5 | -178.5 | -64.3 | 0 | 111.7 | E118 I146 V147 C148 | E118-K120 HydrophobicContact CG-CD 4.45Å; E118-K120 HydrophobicContact CG-CG 4.2Å; E118-K120 VanDerWaalsContact OE1-CE 3.29Å; E118-K120 WeakPolarHBondContact OE1-CE 3.45Å; E118-K120 IonicContact OE1-NZ 2.88Å; E118-K120 PolarHBondContact OE1-NZ 3.02Å; K120-I146 PolarHBondContact N-O 2.72Å; K120-V147 CarbonylContact O-C 3.57Å; K120-V147 WeakPolarHBondContact O-CA 3.37Å; K120-C148 PolarHBondContact O-N 3.39Å |
| 121 | T | 87.8 | Confident | 78.3 | Confident | 40 Ų | 40 | 71.3 Ų | 71.3 | 25% | 0.245 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 144.3 | 163.8 | 55.2 | 0 | 0 | 0 | 0 | 110 | L35 L39 Y66 | L35-T121 HydrophobicContact CD2-CG2 4.19Å; L35-T121 HydrophobicContact CG-CG2 4.3Å; L39-T121 HydrophobicContact CD2-CG2 3.62Å; Y66-T121 HydrophobicContact CD1-CG2 3.8Å; Y66-T121 HydrophobicContact CE1-CG2 4.31Å; Y66-T121 HydrophobicContact CG-CG2 3.99Å |
| 122 | S | 86.7 | Confident | 77.3 | Confident | 14 Ų | 14 | 62.6 Ų | 62.6 | 10% | 0.098 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 136.8 | 175.1 | -171.9 | 0 | 0 | 0 | 0 | 111.1 | R124 C148 Y149 | S122-R124 WeakPolarHBondContact CB-O 3.49Å; S122-R124 PolarHBondContact O-N 3.44Å; S122-R124 PolarHBondContact OG-N 2.98Å; S122-R124 PolarHBondContact OG-O 3.35Å; S122-C148 PolarHBondContact N-O 3.29Å; S122-Y149 WeakPolarHBondContact O-CA 3.46Å; S122-Y149 WeakPolarHBondContact O-CD1 3.31Å |
| 123 | D | 80.6 | Confident | 76 | Confident | 94 Ų | 94 | 60.5 Ų | 60.5 | 50% | 0.503 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -80 | -3.9 | 171 | -56.9 | -29.9 | 0 | 0 | 0 | 112.1 | R32 Y66 | R32-D123 IonicContact CZ-OD2 2.69Å; R32-D123 IonicContact NE-OD2 2.94Å; R32-D123 IonicContact NH2-OD2 2.59Å; R32-D123 PolarHBondContact NH2-OD2 3.35Å; Y66-D123 PolarHBondContact OH-OD1 2.84Å |
| 124 | R | 78.6 | Confident | 74.6 | Confident | 174 Ų | 174 | 60.4 Ų | 60.4 | 66% | 0.657 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -132.2 | 135.1 | -176.8 | -62.6 | -177.2 | -178.5 | -173.3 | -2.1 | 110 | S122 K126 Y149 | S122-R124 WeakPolarHBondContact CB-O 3.49Å; S122-R124 PolarHBondContact O-N 3.44Å; S122-R124 PolarHBondContact OG-N 2.98Å; S122-R124 PolarHBondContact OG-O 3.35Å; R124-K126 PolarHBondContact O-N 3.1Å; R124-Y149 WeakPolarHBondContact O-CD1 3.14Å; R124-Y149 WeakPolarHBondContact O-CE1 3.5Å |
| 125 | L | 62.6 | Low | 72.9 | Confident | 108 Ų | 108 | 58.1 Ų | 58.1 | 57% | 0.565 | 30% | 0.296 | S | S | * | . | trans | -54.8 | 124.9 | 170.1 | -171.3 | 67.7 | 0 | 0 | 0 | 109.7 | V127 Y149 | L125-V127 HydrophobicContact CD2-CG1 3.98Å; L125-V127 HydrophobicContact CG-CG1 4.04Å; L125-Y149 VanDerWaalsContact CA-CE1 3.44Å; L125-Y149 HydrophobicContact CD1-CD2 4.18Å; L125-Y149 HydrophobicContact CD1-CE1 4.31Å; L125-Y149 HydrophobicContact CD1-CE2 3.56Å | ||
| 126 | K | 70.5 | Confident | 71 | Confident | 63 Ų | 63 | 59.1 Ų | 59.1 | 27% | 0.274 | 30% | 0.303 | S | S | . | . | trans | -109 | 110.7 | 173.7 | -65.5 | -172.2 | -177.7 | 179.2 | 0 | 107.4 | R124 M132 V147 Y149 F157 | R124-K126 PolarHBondContact O-N 3.1Å; K126-M132 HydrophobicContact CB-SD 4.46Å; K126-M132 HydrophobicContact CD-CG 4.36Å; K126-M132 HydrophobicContact CD-SD 4.15Å; K126-V147 HydrophobicContact CD-CG1 4.38Å; K126-Y149 PolarHBondContact N-OH 3.47Å; K126-Y149 PolarHBondContact O-OH 3.36Å; K126-F157 WeakPolarHBondContact O-CZ 3.35Å | ||
| 127 | V | 63.6 | Low | 69.2 | Low | 117 Ų | 117 | 60 Ų | 60 | 71% | 0.709 | 31% | 0.307 | S | S | * | . | trans | -98.2 | -14.8 | 176.9 | -64.3 | 0 | 0 | 0 | 0 | 112.9 | L125 | L125-V127 HydrophobicContact CD2-CG1 3.98Å; L125-V127 HydrophobicContact CG-CG1 4.04Å | ||
| 128 | N | 63.6 | Low | 67.3 | Low | 76 Ų | 76 | 63 Ų | 63 | 41% | 0.406 | 32% | 0.321 | S | S | . | . | trans | -116.9 | 127.4 | -178.7 | -168.3 | -9.8 | 0 | 0 | 0 | 110.8 | D130 | N128-D130 PolarHBondContact ND2-OD2 3.37Å; N128-D130 PolarHBondContact O-N 3.45Å; N128-D130 WeakPolarHBondContact OD1-CB 3.26Å; N128-D130 VanDerWaalsContact OD1-CG 3.29Å; N128-D130 PolarHBondContact OD1-N 2.88Å; N128-D130 PolarHBondContact OD1-OD2 3.15Å | ||
| 129 | L | 60.6 | Low | 65.6 | Low | 26 Ų | 26 | 69.7 Ų | 69.7 | 14% | 0.136 | 36% | 0.357 | C | S | . | . | G | 310 helix | trans | -58 | -25.5 | 172.7 | -83.3 | 168.7 | 0 | 0 | 0 | 112.6 | N131 M132 Y133 I145 F157 L159 | L129-N131 PolarHBondContact O-N 2.92Å; L129-M132 WeakPolarHBondContact O-CB 3.18Å; L129-M132 PolarHBondContact O-N 3.03Å; L129-Y133 HydrophobicContact CB-CE1 4.32Å; L129-Y133 WeakPolarHBondContact CB-OH 3.43Å; L129-Y133 WeakPolarHBondContact O-CE1 3.41Å; L129-Y133 WeakPolarHBondContact O-CE2 3.35Å; L129-Y133 PolarHBondContact O-OH 3.27Å; L129-I145 HydrophobicContact CD2-CD1 4.2Å; L129-F157 HydrophobicContact CD1-CB 4.29Å; L129-F157 HydrophobicContact CD1-CD1 3.91Å; L129-F157 HydrophobicContact CD1-CG 4.37Å; L129-F157 HydrophobicContact CD2-CB 3.47Å; L129-F157 VanDerWaalsContact CD2-CB 3.47Å; L129-F157 HydrophobicContact CD2-CD1 3.61Å; L129-F157 HydrophobicContact CD2-CD2 3.91Å; L129-F157 HydrophobicContact CD2-CE1 4.25Å; L129-F157 HydrophobicContact CD2-CG 3.38Å; L129-F157 HydrophobicContact CG-CB 4.09Å; L129-F157 HydrophobicContact CG-CD1 3.4Å; L129-F157 HydrophobicContact CG-CE1 3.85Å; L129-F157 HydrophobicContact CG-CG 3.77Å; L129-L159 HydrophobicContact CD1-CD2 3.71Å; L129-L159 HydrophobicContact CD2-CD2 4.08Å |
| 130 | D | 60.2 | Low | 64.4 | Low | 95 Ų | 95 | 71.1 Ų | 71.1 | 51% | 0.508 | 37% | 0.365 | S | S | . | . | G | 310 helix | trans | -54.4 | -22.4 | -167.8 | -76.4 | -30.5 | 0 | 0 | 0 | 114.8 | N128 Y133 | N128-D130 PolarHBondContact ND2-OD2 3.37Å; N128-D130 PolarHBondContact O-N 3.45Å; N128-D130 WeakPolarHBondContact OD1-CB 3.26Å; N128-D130 VanDerWaalsContact OD1-CG 3.29Å; N128-D130 PolarHBondContact OD1-N 2.88Å; N128-D130 PolarHBondContact OD1-OD2 3.15Å; D130-Y133 VanDerWaalsContact CA-OH 3.26Å; D130-Y133 WeakPolarHBondContact CA-OH 3.37Å; D130-Y133 HydrophobicContact CB-CE2 4.47Å; D130-Y133 PolarHBondContact N-OH 2.83Å; D130-Y133 VanDerWaalsContact N-OH 3.15Å; D130-Y133 WeakPolarHBondContact O-CD2 3.5Å; D130-Y133 WeakPolarHBondContact O-CE2 3.47Å; D130-Y133 PolarHBondContact OD1-OH 3.26Å |
| 131 | N | 53.7 | Low | 63.8 | Low | 135 Ų | 135 | 72.4 Ų | 72.4 | 72% | 0.722 | 38% | 0.378 | S | S | * | . | G | 310 helix | trans | -97.4 | 7.3 | -177.9 | -63.5 | -55.3 | 0 | 0 | 0 | 114.5 | L129 | L129-N131 PolarHBondContact O-N 2.92Š|
| 132 | M | 53.1 | Low | 63.8 | Low | 8 Ų | 8 | 70.8 Ų | 70.8 | 4% | 0.039 | 37% | 0.368 | C | S | . | . | trans | -114.7 | 11.7 | -164.5 | -65.8 | 173.6 | 52.9 | 0 | 0 | 115.2 | K126 L129 I145 V147 F157 | K126-M132 HydrophobicContact CB-SD 4.46Å; K126-M132 HydrophobicContact CD-CG 4.36Å; K126-M132 HydrophobicContact CD-SD 4.15Å; L129-M132 WeakPolarHBondContact O-CB 3.18Å; L129-M132 PolarHBondContact O-N 3.03Å; M132-I145 HydrophobicContact CB-CD1 4.32Å; M132-I145 HydrophobicContact CE-CB 3.68Å; M132-I145 HydrophobicContact CE-CD1 3.96Å; M132-I145 HydrophobicContact CE-CG1 4.43Å; M132-I145 HydrophobicContact CE-CG2 3.07Å; M132-V147 HydrophobicContact CE-CG2 3.36Å; M132-V147 HydrophobicContact SD-CG2 3.97Å; M132-F157 HydrophobicContact CE-CD2 3.75Å; M132-F157 HydrophobicContact CE-CE2 3.86Å; M132-F157 HydrophobicContact SD-CD2 4.13Å; M132-F157 HydrophobicContact SD-CE2 3.7Å; M132-F157 HydrophobicContact SD-CZ 4.35Å | ||
| 133 | Y | 50.7 | Low | 64 | Low | 39 Ų | 39 | 70.2 Ų | 70.2 | 15% | 0.153 | 36% | 0.364 | C | S | . | . | trans | -99.5 | 111.7 | -169.4 | -42.8 | -65.5 | 0 | 0 | 0 | 115.1 | L129 D130 Y167 R174 | L129-Y133 HydrophobicContact CB-CE1 4.32Å; L129-Y133 WeakPolarHBondContact CB-OH 3.43Å; L129-Y133 WeakPolarHBondContact O-CE1 3.41Å; L129-Y133 WeakPolarHBondContact O-CE2 3.35Å; L129-Y133 PolarHBondContact O-OH 3.27Å; D130-Y133 VanDerWaalsContact CA-OH 3.26Å; D130-Y133 WeakPolarHBondContact CA-OH 3.37Å; D130-Y133 HydrophobicContact CB-CE2 4.47Å; D130-Y133 PolarHBondContact N-OH 2.83Å; D130-Y133 VanDerWaalsContact N-OH 3.15Å; D130-Y133 WeakPolarHBondContact O-CD2 3.5Å; D130-Y133 WeakPolarHBondContact O-CE2 3.47Å; D130-Y133 PolarHBondContact OD1-OH 3.26Å; Y133-Y167 AromaticContact CD1-CD1 3.36Å; Y133-Y167 HydrophobicContact CD1-CD1 3.36Å; Y133-Y167 AromaticContact CD1-CD2 3.84Å; Y133-Y167 HydrophobicContact CD1-CD2 3.84Å; Y133-Y167 AromaticContact CD1-CE1 3.56Å; Y133-Y167 HydrophobicContact CD1-CE1 3.56Å; Y133-Y167 AromaticContact CD1-CE2 3.98Å; Y133-Y167 HydrophobicContact CD1-CE2 3.98Å; Y133-Y167 AromaticContact CD1-CG 3.57Å; Y133-Y167 HydrophobicContact CD1-CG 3.57Å; Y133-Y167 AromaticContact CD1-CZ 3.91Å; Y133-Y167 AromaticContact CD2-CD1 3.71Å; Y133-Y167 HydrophobicContact CD2-CD1 3.71Å; Y133-Y167 AromaticContact CD2-CE1 3.46Å; Y133-Y167 HydrophobicContact CD2-CE1 3.46Å; Y133-Y167 VanDerWaalsContact CD2-CE1 3.46Å; Y133-Y167 AromaticContact CE1-CD1 3.58Å; Y133-Y167 HydrophobicContact CE1-CD1 3.58Å; Y133-Y167 AromaticContact CE1-CD2 3.6Å; Y133-Y167 HydrophobicContact CE1-CD2 3.6Å; Y133-Y167 AromaticContact CE1-CE1 3.28Å; Y133-Y167 HydrophobicContact CE1-CE1 3.28Å; Y133-Y167 AromaticContact CE1-CE2 3.28Å; Y133-Y167 HydrophobicContact CE1-CE2 3.28Å; Y133-Y167 AromaticContact CE1-CG 3.78Å; Y133-Y167 HydrophobicContact CE1-CG 3.78Å; Y133-Y167 AromaticContact CE1-CZ 3.17Å; Y133-Y167 AromaticContact CE2-CD1 3.83Å; Y133-Y167 HydrophobicContact CE2-CD1 3.83Å; Y133-Y167 AromaticContact CE2-CE1 3.09Å; Y133-Y167 HydrophobicContact CE2-CE1 3.09Å; Y133-Y167 HydrophobicContact CE2-CE2 4.48Å; Y133-Y167 AromaticContact CE2-CZ 3.54Å; Y133-Y167 AromaticContact CG-CD1 3.45Å; Y133-Y167 HydrophobicContact CG-CD1 3.45Å; Y133-Y167 VanDerWaalsContact CG-CD1 3.45Å; Y133-Y167 AromaticContact CG-CE1 3.65Å; Y133-Y167 HydrophobicContact CG-CE1 3.65Å; Y133-Y167 HydrophobicContact CG-CG 4.1Å; Y133-Y167 AromaticContact CZ-CD1 3.82Å; Y133-Y167 AromaticContact CZ-CE1 3.05Å; Y133-Y167 AromaticContact CZ-CE2 3.6Å; Y133-Y167 AromaticContact CZ-CZ 2.96Å; Y133-Y167 PolarHBondContact OH-OH 3.12Å; Y133-R174 PolarHBondContact O-NH1 2.94Å; Y133-R174 PolarHBondContact O-NH2 3.45Å | ||
| 134 | D | 56 | Low | 64.5 | Low | 105 Ų | 105 | 65.8 Ų | 65.8 | 56% | 0.561 | 34% | 0.34 | S | S | * | . | trans | -155 | 6.9 | 154.7 | -82 | -40.5 | 0 | 0 | 0 | 113.6 | R174 | D134-R174 IonicContact OD1-CZ 2.86Å; D134-R174 IonicContact OD1-NE 3.79Å; D134-R174 IonicContact OD1-NH1 3.58Å; D134-R174 PolarHBondContact OD1-NH1 2.97Å; D134-R174 IonicContact OD1-NH2 3.23Å; D134-R174 PolarHBondContact OD1-NH2 2.82Å | ||
| 135 | S | 51.5 | Low | 65.1 | Low | 28 Ų | 28 | 57.9 Ų | 57.9 | 20% | 0.196 | 31% | 0.311 | C | S | . | . | trans | -79.2 | 135.5 | -175.7 | -45.3 | 0 | 0 | 0 | 0 | 112.3 | E118 | E118-S135 PolarHBondContact OE2-OG 2.86Š| ||
| 136 | P | 52.5 | Low | 66.7 | Low | 22 Ų | 22 | 52.8 Ų | 52.8 | 14% | 0.143 | 28% | 0.284 | C | S | . | . | trans | -75 | 128.5 | -179.8 | 27.6 | -32.5 | 0 | 0 | 0 | 112.6 | Y94 | Y94-P136 HydrophobicContact CD2-CB 4.49Å; Y94-P136 HydrophobicContact CE2-CB 3.4Å; Y94-P136 HydrophobicContact CE2-CG 4.19Å; Y94-P136 WeakPolarHBondContact OH-CB 3.4Å | ||
| 137 | L | 54.1 | Low | 67.8 | Low | 22 Ų | 22 | 49.8 Ų | 49.8 | 12% | 0.115 | 27% | 0.271 | C | S | . | . | trans | -129.4 | 91.4 | -169.9 | -67.6 | 168.7 | 0 | 0 | 0 | 111.4 | A143 L164 W168 | L137-A143 HydrophobicContact CD2-CB 4.47Å; L137-L164 HydrophobicContact CD1-CB 4.04Å; L137-L164 HydrophobicContact CD1-CD2 3.53Å; L137-L164 HydrophobicContact CD1-CG 4.33Å; L137-L164 HydrophobicContact CD2-CD1 4.38Å; L137-L164 HydrophobicContact CD2-CD2 3.69Å; L137-L164 HydrophobicContact CD2-CG 4.46Å; L137-L164 HydrophobicContact CG-CD2 4.2Å; L137-W168 HydrophobicContact CB-CE3 4.17Å; L137-W168 VanDerWaalsContact O-CD2 3.26Å | ||
| 138 | Q | 52 | Low | 69.3 | Low | 62 Ų | 62 | 44.2 Ų | 44.2 | 29% | 0.29 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -131.8 | -12.7 | 179.9 | -70.5 | -172.1 | -81.1 | 0 | 0 | 117.1 | H89 Y94 W168 | H89-Q138 PolarHBondContact CD2-NE2 2.96Å; H89-Q138 PolarHBondContact CD2-OE1 2.87Å; H89-Q138 PolarHBondContact CE1-NE2 2.86Å; H89-Q138 PolarHBondContact NE2-NE2 2.86Å; H89-Q138 PolarHBondContact NE2-OE1 3.05Å; Y94-Q138 VanDerWaalsContact CE1-OE1 3.22Å; Y94-Q138 VanDerWaalsContact CZ-OE1 3.3Å; Y94-Q138 PolarHBondContact OH-OE1 3.25Å; Q138-W168 HydrophobicContact CG-CD2 3.92Å; Q138-W168 HydrophobicContact CG-CE3 3.79Å; Q138-W168 HydrophobicContact CG-CH2 3.17Å; Q138-W168 HydrophobicContact CG-CZ2 3.28Å; Q138-W168 HydrophobicContact CG-CZ3 3.38Å |
| 139 | L | 55 | Low | 70.8 | Confident | 170 Ų | 170 | 40.8 Ų | 40.8 | 89% | 0.89 | 22% | 0.219 | S | C | * | . | S | Bend | trans | -130.6 | 12.8 | -179.7 | -69.2 | 174 | 0 | 0 | 0 | 113.2 | ||
| 140 | I | 69.5 | Low | 72.3 | Confident | 35 Ų | 35 | 45 Ų | 45 | 18% | 0.179 | 24% | 0.236 | C | C | . | . | trans | -123 | 122.7 | -164.2 | -59.7 | 178.5 | 0 | 0 | 0 | 107.7 | L101 L116 S142 L164 | L101-I140 HydrophobicContact CD2-CD1 3.85Å; L116-I140 HydrophobicContact CB-CD1 3.59Å; L116-I140 HydrophobicContact CB-CG2 4Å; L116-I140 HydrophobicContact CD1-CD1 3.39Å; L116-I140 HydrophobicContact CG-CD1 4.08Å; I140-S142 WeakPolarHBondContact CG2-O 3.42Å; I140-L164 WeakPolarHBondContact O-CD1 3.5Å | ||
| 141 | T | 77.7 | Confident | 73.8 | Confident | 88 Ų | 88 | 47.3 Ų | 47.3 | 54% | 0.54 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -88.4 | -9.8 | -178.2 | 54.3 | 0 | 0 | 0 | 0 | 112.6 | I161 | T141-I161 PolarHBondContact O-N 3.47Š|
| 142 | S | 87.2 | Confident | 75.7 | Confident | 5 Ų | 5 | 43.4 Ų | 43.4 | 4% | 0.035 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 135.3 | -179.3 | -57.1 | 0 | 0 | 0 | 0 | 110.4 | Y106 V115 L116 I140 L159 | Y106-S142 WeakPolarHBondContact OH-CB 3.26Å; V115-S142 VanDerWaalsContact CA-O 3.31Å; V115-S142 WeakPolarHBondContact CA-O 3.38Å; L116-S142 PolarHBondContact N-O 2.92Å; I140-S142 WeakPolarHBondContact CG2-O 3.42Å; S142-L159 WeakPolarHBondContact CA-O 3.48Å |
| 143 | A | 90 | Very high | 77.7 | Confident | 3 Ų | 3 | 49.7 Ų | 49.7 | 3% | 0.025 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 159.3 | 175 | 0 | 0 | 0 | 0 | 0 | 110.1 | L116 L137 L159 L164 | L116-A143 HydrophobicContact CB-CB 4.02Å; L116-A143 HydrophobicContact CD2-CB 4.44Å; L116-A143 CarbonylContact O-C 3.53Å; L116-A143 WeakPolarHBondContact O-CA 3.27Å; L137-A143 HydrophobicContact CD2-CB 4.47Å; A143-L159 HydrophobicContact CB-CB 4.29Å; A143-L159 HydrophobicContact CB-CD1 4.38Å; A143-L159 PolarHBondContact N-O 3.31Å; A143-L159 WeakPolarHBondContact O-CB 3.49Å; A143-L159 PolarHBondContact O-N 2.59Å; A143-L164 HydrophobicContact CB-CD1 4.41Å; A143-L164 HydrophobicContact CB-CD2 3.86Å |
| 144 | I | 92.2 | Very high | 79.8 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 139.7 | 170.8 | 62.6 | 175.5 | 0 | 0 | 0 | 109.2 | L102 Y104 V115 L116 L117 E118 I146 I156 F157 E158 | L102-I144 HydrophobicContact CD1-CD1 4.32Å; Y104-I144 HydrophobicContact CD1-CG2 4.13Å; Y104-I144 HydrophobicContact CD2-CD1 3.74Å; Y104-I144 HydrophobicContact CE1-CG2 4.22Å; Y104-I144 HydrophobicContact CE2-CD1 4.17Å; Y104-I144 HydrophobicContact CG-CD1 4.02Å; Y104-I144 HydrophobicContact CG-CG2 4.47Å; V115-I144 HydrophobicContact CG2-CD1 3.89Å; V115-I144 HydrophobicContact CG2-CG1 3.88Å; V115-I144 HydrophobicContact CG2-CG2 4.33Å; L116-I144 PolarHBondContact O-N 3.34Å; L117-I144 HydrophobicContact CB-CG1 4.3Å; L117-I144 HydrophobicContact CD1-CD1 3.95Å; L117-I144 HydrophobicContact CD1-CG1 3.83Å; E118-I144 PolarHBondContact N-O 2.92Å; I144-I146 HydrophobicContact CD1-CD1 4.17Å; I144-I146 HydrophobicContact CD1-CG1 4.46Å; I144-I156 HydrophobicContact CB-CD1 4.39Å; I144-I156 HydrophobicContact CB-CG1 4.49Å; I144-I156 HydrophobicContact CD1-CD1 4.37Å; I144-I156 HydrophobicContact CG2-CD1 4.46Å; I144-F157 CarbonylContact C-O 3.57Å; I144-F157 VanDerWaalsContact CA-O 3.27Å; I144-F157 WeakPolarHBondContact CA-O 3.37Å; I144-E158 HydrophobicContact CG2-CG 4.12Å |
| 145 | I | 91.9 | Very high | 81.6 | Confident | 9 Ų | 9 | 45.1 Ų | 45.1 | 5% | 0.046 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 121.7 | 167.4 | -45.6 | 175.4 | 0 | 0 | 0 | 108.1 | E118 L129 M132 F157 L159 | E118-I145 HydrophobicContact CB-CB 4.46Å; E118-I145 HydrophobicContact CB-CG1 4.19Å; E118-I145 HydrophobicContact CB-CG2 4.01Å; E118-I145 HydrophobicContact CG-CG2 4.06Å; E118-I145 WeakPolarHBondContact O-CA 3.48Å; E118-I145 WeakPolarHBondContact O-CG2 3.35Å; L129-I145 HydrophobicContact CD2-CD1 4.2Å; M132-I145 HydrophobicContact CB-CD1 4.32Å; M132-I145 HydrophobicContact CE-CB 3.68Å; M132-I145 HydrophobicContact CE-CD1 3.96Å; M132-I145 HydrophobicContact CE-CG1 4.43Å; M132-I145 HydrophobicContact CE-CG2 3.07Å; I145-F157 HydrophobicContact CB-CB 4.4Å; I145-F157 HydrophobicContact CB-CD2 4.48Å; I145-F157 PolarHBondContact N-O 2.81Å; I145-F157 PolarHBondContact O-N 3Å; I145-L159 HydrophobicContact CD1-CD1 3.92Å; I145-L159 HydrophobicContact CG1-CD1 4.1Å |
| 146 | I | 94.2 | Very high | 83.5 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 124.2 | 176.4 | -55.4 | 178.1 | 0 | 0 | 0 | 108.5 | L70 L73 I77 L117 E118 L119 K120 I144 A154 T155 I156 | L70-I146 HydrophobicContact CD1-CD1 4.09Å; L70-I146 HydrophobicContact CD1-CG2 3.7Å; L73-I146 HydrophobicContact CD1-CD1 4.36Å; L73-I146 HydrophobicContact CD1-CG1 4.5Å; L73-I146 HydrophobicContact CD1-CG2 3.79Å; I77-I146 HydrophobicContact CD1-CD1 3.89Å; L117-I146 HydrophobicContact CD1-CB 4.32Å; L117-I146 HydrophobicContact CD1-CD1 3.75Å; L117-I146 HydrophobicContact CD1-CG1 3.83Å; E118-I146 PolarHBondContact O-N 2.87Å; L119-I146 HydrophobicContact CD1-CB 3.92Å; L119-I146 HydrophobicContact CD1-CG2 4.07Å; K120-I146 PolarHBondContact N-O 2.72Å; I144-I146 HydrophobicContact CD1-CD1 4.17Å; I144-I146 HydrophobicContact CD1-CG1 4.46Å; I146-A154 HydrophobicContact CG2-CB 3.87Å; I146-T155 WeakPolarHBondContact CA-O 3.24Å; I146-I156 HydrophobicContact CD1-CD1 4.24Å; I146-I156 HydrophobicContact CG1-CD1 4.04Å; I146-I156 HydrophobicContact CG1-CG1 4.18Å |
| 147 | V | 94.1 | Very high | 85.3 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 108.7 | 175.3 | -169.9 | 0 | 0 | 0 | 0 | 108.4 | K120 K126 M132 Y149 A154 T155 F157 | K120-V147 CarbonylContact O-C 3.57Å; K120-V147 WeakPolarHBondContact O-CA 3.37Å; K126-V147 HydrophobicContact CD-CG1 4.38Å; M132-V147 HydrophobicContact CE-CG2 3.36Å; M132-V147 HydrophobicContact SD-CG2 3.97Å; V147-Y149 HydrophobicContact CB-CE1 4.21Å; V147-Y149 HydrophobicContact CG1-CD1 4.26Å; V147-Y149 HydrophobicContact CG1-CE1 3.41Å; V147-Y149 VanDerWaalsContact CG1-CE1 3.41Å; V147-Y149 WeakPolarHBondContact O-CE2 3.43Å; V147-A154 CarbonylContact O-C 3.51Å; V147-A154 VanDerWaalsContact O-CA 3.22Å; V147-A154 WeakPolarHBondContact O-CA 3.19Å; V147-A154 WeakPolarHBondContact O-CB 3.3Å; V147-T155 PolarHBondContact N-O 3.24Å; V147-T155 PolarHBondContact O-N 3.08Å; V147-F157 HydrophobicContact CG2-CD2 4.44Å; V147-F157 HydrophobicContact CG2-CE2 4.05Å |
| 148 | C | 95.3 | Very high | 87 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 142.7 | 175.1 | -59 | 0 | 0 | 0 | 0 | 110.5 | L39 Y66 K120 S122 | L39-C148 HydrophobicContact CD2-CB 3.99Å; Y66-C148 HydrophobicContact CD1-CB 4.26Å; Y66-C148 WeakPolarHBondContact CD1-O 3.46Å; Y66-C148 WeakPolarHBondContact O-CB 3.2Å; K120-C148 PolarHBondContact O-N 3.39Å; S122-C148 PolarHBondContact N-O 3.29Å |
| 149 | Y | 95.1 | Very high | 88.7 | Confident | 4 Ų | 4 | 45.3 Ų | 45.3 | 2% | 0.016 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 165.2 | 179.8 | -49.4 | -72.4 | 0 | 0 | 0 | 110.8 | Y66 S69 S122 R124 L125 K126 V147 S152 E153 T155 | Y66-Y149 WeakPolarHBondContact CA-O 3.42Å; S69-Y149 WeakPolarHBondContact CB-O 3.34Å; S69-Y149 PolarHBondContact OG-N 3.45Å; S69-Y149 PolarHBondContact OG-O 3.17Å; S122-Y149 WeakPolarHBondContact O-CA 3.46Å; S122-Y149 WeakPolarHBondContact O-CD1 3.31Å; R124-Y149 WeakPolarHBondContact O-CD1 3.14Å; R124-Y149 WeakPolarHBondContact O-CE1 3.5Å; L125-Y149 VanDerWaalsContact CA-CE1 3.44Å; L125-Y149 HydrophobicContact CD1-CD2 4.18Å; L125-Y149 HydrophobicContact CD1-CE1 4.31Å; L125-Y149 HydrophobicContact CD1-CE2 3.56Å; K126-Y149 PolarHBondContact N-OH 3.47Å; K126-Y149 PolarHBondContact O-OH 3.36Å; V147-Y149 HydrophobicContact CB-CE1 4.21Å; V147-Y149 HydrophobicContact CG1-CD1 4.26Å; V147-Y149 HydrophobicContact CG1-CE1 3.41Å; V147-Y149 VanDerWaalsContact CG1-CE1 3.41Å; V147-Y149 WeakPolarHBondContact O-CE2 3.43Å; Y149-S152 WeakPolarHBondContact CB-OG 3.16Å; Y149-S152 WeakPolarHBondContact CD2-OG 2.9Å; Y149-E153 WeakPolarHBondContact CD2-O 3.31Å; Y149-E153 WeakPolarHBondContact CE2-O 3.18Å; Y149-T155 VanDerWaalsContact CE2-OG1 3.27Å; Y149-T155 WeakPolarHBondContact CE2-OG1 3.4Å; Y149-T155 WeakPolarHBondContact OH-CB 3.19Å; Y149-T155 PolarHBondContact OH-OG1 2.89Å |
| 150 | K | 92.8 | Very high | 90.2 | Very high | 115 Ų | 115 | 38.9 Ų | 38.9 | 50% | 0.5 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -73.1 | -41.6 | 176.9 | -166.4 | -175 | 175.3 | -176.9 | 0 | 112.1 | P65 Y66 | P65-K150 HydrophobicContact CB-CB 4.42Å; P65-K150 HydrophobicContact CB-CG 3.68Å; P65-K150 WeakPolarHBondContact CB-O 3.38Å; P65-K150 HydrophobicContact CG-CG 4.12Å; Y66-K150 HydrophobicContact CE1-CB 4.34Å; Y66-K150 HydrophobicContact CE2-CB 4.45Å |
| 151 | D | 90.9 | Very high | 91 | Very high | 144 Ų | 144 | 40.8 Ų | 40.8 | 77% | 0.77 | 22% | 0.215 | S | C | * | . | S | Bend | trans | -125.1 | 15 | -164.3 | -50.4 | -51.9 | 0 | 0 | 0 | 113.2 | ||
| 152 | S | 93.9 | Very high | 91.5 | Very high | 53 Ų | 53 | 45 Ų | 45 | 37% | 0.371 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -150 | 163.6 | 179 | 70.2 | 0 | 0 | 0 | 0 | 112.1 | S69 Y149 | S69-S152 WeakPolarHBondContact CB-O 3.45Å; S69-S152 PolarHBondContact OG-O 3.49Å; Y149-S152 WeakPolarHBondContact CB-OG 3.16Å; Y149-S152 WeakPolarHBondContact CD2-OG 2.9Å |
| 153 | E | 95.3 | Very high | 91.5 | Very high | 140 Ų | 140 | 50.1 Ų | 50.1 | 65% | 0.654 | 24% | 0.24 | S | C | * | . | P | Polyproline II helix | trans | -60.9 | 147 | 172.8 | -62.9 | -173.7 | 169.5 | 0 | 0 | 111.8 | P72 Y149 | P72-E153 HydrophobicContact CG-CG 4.27Å; Y149-E153 WeakPolarHBondContact CD2-O 3.31Å; Y149-E153 WeakPolarHBondContact CE2-O 3.18Å |
| 154 | A | 95.6 | Very high | 91.4 | Very high | 14 Ų | 14 | 50.1 Ų | 50.1 | 12% | 0.116 | 24% | 0.24 | C | C | . | . | P | Polyproline II helix | trans | -65.5 | 143.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111 | S69 L73 I146 V147 | S69-A154 WeakPolarHBondContact O-CB 3.2Å; S69-A154 PolarHBondContact O-N 3.1Å; S69-A154 WeakPolarHBondContact OG-CA 3.21Å; S69-A154 PolarHBondContact OG-N 2.9Å; L73-A154 HydrophobicContact CD1-CB 3.81Å; I146-A154 HydrophobicContact CG2-CB 3.87Å; V147-A154 CarbonylContact O-C 3.51Å; V147-A154 VanDerWaalsContact O-CA 3.22Å; V147-A154 WeakPolarHBondContact O-CA 3.19Å; V147-A154 WeakPolarHBondContact O-CB 3.3Å |
| 155 | T | 93.4 | Very high | 91.2 | Very high | 34 Ų | 34 | 55.1 Ų | 55.1 | 21% | 0.209 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 129.6 | 170.4 | -52.7 | 0 | 0 | 0 | 0 | 108.8 | I146 V147 Y149 F157 | I146-T155 WeakPolarHBondContact CA-O 3.24Å; V147-T155 PolarHBondContact N-O 3.24Å; V147-T155 PolarHBondContact O-N 3.08Å; Y149-T155 VanDerWaalsContact CE2-OG1 3.27Å; Y149-T155 WeakPolarHBondContact CE2-OG1 3.4Å; Y149-T155 WeakPolarHBondContact OH-CB 3.19Å; Y149-T155 PolarHBondContact OH-OG1 2.89Å; T155-F157 HydrophobicContact CG2-CD2 4.24Å; T155-F157 HydrophobicContact CG2-CE1 4.04Å; T155-F157 HydrophobicContact CG2-CE2 3.65Å; T155-F157 HydrophobicContact CG2-CZ 3.55Å |
| 156 | I | 91.5 | Very high | 91.2 | Very high | 44 Ų | 44 | 60.8 Ų | 60.8 | 23% | 0.226 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 133 | 171.3 | -174.4 | 154.9 | 0 | 0 | 0 | 110.3 | L73 Y104 I144 I146 E158 | L73-I156 HydrophobicContact CD1-CB 4.03Å; L73-I156 HydrophobicContact CD2-CB 4.45Å; L73-I156 HydrophobicContact CD2-CG2 4.09Å; Y104-I156 HydrophobicContact CE1-CD1 4.43Å; Y104-I156 HydrophobicContact CE2-CD1 3.65Å; Y104-I156 VanDerWaalsContact CZ-CD1 3.5Å; Y104-I156 WeakPolarHBondContact OH-CD1 3.2Å; I144-I156 HydrophobicContact CB-CD1 4.39Å; I144-I156 HydrophobicContact CB-CG1 4.49Å; I144-I156 HydrophobicContact CD1-CD1 4.37Å; I144-I156 HydrophobicContact CG2-CD1 4.46Å; I146-I156 HydrophobicContact CD1-CD1 4.24Å; I146-I156 HydrophobicContact CG1-CD1 4.04Å; I146-I156 HydrophobicContact CG1-CG1 4.18Å; I156-E158 HydrophobicContact CG1-CG 4.31Å |
| 157 | F | 90.3 | Very high | 90.8 | Very high | 24 Ų | 24 | 62.1 Ų | 62.1 | 11% | 0.105 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 111.6 | 171.4 | -59.7 | -81.5 | 0 | 0 | 0 | 109.8 | K126 L129 M132 I144 I145 V147 T155 | K126-F157 WeakPolarHBondContact O-CZ 3.35Å; L129-F157 HydrophobicContact CD1-CB 4.29Å; L129-F157 HydrophobicContact CD1-CD1 3.91Å; L129-F157 HydrophobicContact CD1-CG 4.37Å; L129-F157 HydrophobicContact CD2-CB 3.47Å; L129-F157 VanDerWaalsContact CD2-CB 3.47Å; L129-F157 HydrophobicContact CD2-CD1 3.61Å; L129-F157 HydrophobicContact CD2-CD2 3.91Å; L129-F157 HydrophobicContact CD2-CE1 4.25Å; L129-F157 HydrophobicContact CD2-CG 3.38Å; L129-F157 HydrophobicContact CG-CB 4.09Å; L129-F157 HydrophobicContact CG-CD1 3.4Å; L129-F157 HydrophobicContact CG-CE1 3.85Å; L129-F157 HydrophobicContact CG-CG 3.77Å; M132-F157 HydrophobicContact CE-CD2 3.75Å; M132-F157 HydrophobicContact CE-CE2 3.86Å; M132-F157 HydrophobicContact SD-CD2 4.13Å; M132-F157 HydrophobicContact SD-CE2 3.7Å; M132-F157 HydrophobicContact SD-CZ 4.35Å; I144-F157 CarbonylContact C-O 3.57Å; I144-F157 VanDerWaalsContact CA-O 3.27Å; I144-F157 WeakPolarHBondContact CA-O 3.37Å; I145-F157 HydrophobicContact CB-CB 4.4Å; I145-F157 HydrophobicContact CB-CD2 4.48Å; I145-F157 PolarHBondContact N-O 2.81Å; I145-F157 PolarHBondContact O-N 3Å; V147-F157 HydrophobicContact CG2-CD2 4.44Å; V147-F157 HydrophobicContact CG2-CE2 4.05Å; T155-F157 HydrophobicContact CG2-CD2 4.24Å; T155-F157 HydrophobicContact CG2-CE1 4.04Å; T155-F157 HydrophobicContact CG2-CE2 3.65Å; T155-F157 HydrophobicContact CG2-CZ 3.55Å |
| 158 | E | 89.5 | Confident | 90.4 | Very high | 59 Ų | 59 | 64 Ų | 64 | 28% | 0.276 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 118.1 | 176.5 | -72.4 | 178.2 | -179.4 | 0 | 0 | 109.7 | Y104 Y106 I144 I156 | Y104-E158 HydrophobicContact CE1-CG 4.32Å; Y104-E158 WeakPolarHBondContact CE1-OE1 3.42Å; Y104-E158 PolarHBondContact OH-OE1 3.31Å; Y106-E158 VanDerWaalsContact CD1-CD 3.41Å; Y106-E158 HydrophobicContact CD1-CG 4.1Å; Y106-E158 WeakPolarHBondContact CD1-OE2 3.16Å; Y106-E158 HydrophobicContact CE1-CB 3.87Å; Y106-E158 HydrophobicContact CE1-CG 3.68Å; I144-E158 HydrophobicContact CG2-CG 4.12Å; I156-E158 HydrophobicContact CG1-CG 4.31Å |
| 159 | L | 88 | Confident | 90.2 | Very high | 10 Ų | 10 | 70.3 Ų | 70.3 | 5% | 0.052 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 112.7 | -176.5 | -54.7 | -177.1 | 0 | 0 | 0 | 109.9 | L129 S142 A143 I145 L164 | L129-L159 HydrophobicContact CD1-CD2 3.71Å; L129-L159 HydrophobicContact CD2-CD2 4.08Å; S142-L159 WeakPolarHBondContact CA-O 3.48Å; A143-L159 HydrophobicContact CB-CB 4.29Å; A143-L159 HydrophobicContact CB-CD1 4.38Å; A143-L159 PolarHBondContact N-O 3.31Å; A143-L159 WeakPolarHBondContact O-CB 3.49Å; A143-L159 PolarHBondContact O-N 2.59Å; I145-L159 HydrophobicContact CD1-CD1 3.92Å; I145-L159 HydrophobicContact CG1-CD1 4.1Å; L159-L164 HydrophobicContact CB-CD2 3.63Å; L159-L164 HydrophobicContact CB-CG 4.35Å; L159-L164 HydrophobicContact CD1-CD2 3.96Å; L159-L164 HydrophobicContact CG-CD2 4.47Å |
| 160 | D | 86 | Confident | 89.9 | Confident | 35 Ų | 35 | 72.9 Ų | 72.9 | 19% | 0.187 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 169.2 | 171.3 | 79.8 | 12.5 | 0 | 0 | 0 | 111.8 | R162 Y163 L164 | D160-R162 PolarHBondContact O-N 3.15Å; D160-R162 VanDerWaalsContact O-N 3.09Å; D160-R162 WeakPolarHBondContact OD1-CA 3.43Å; D160-R162 VanDerWaalsContact OD1-CB 3.3Å; D160-R162 WeakPolarHBondContact OD1-CB 3.26Å; D160-R162 PolarHBondContact OD1-N 3.24Å; D160-R162 IonicContact OD1-NE 2.75Å; D160-R162 IonicContact OD2-CZ 3.32Å; D160-R162 IonicContact OD2-NE 3.02Å; D160-R162 PolarHBondContact OD2-NE 3.26Å; D160-R162 IonicContact OD2-NH2 3.56Å; D160-R162 PolarHBondContact OD2-NH2 3.22Å; D160-Y163 PolarHBondContact O-N 3.39Å; D160-Y163 VanDerWaalsContact O-N 3.09Å; D160-Y163 WeakPolarHBondContact OD1-CD2 3.49Å; D160-Y163 PolarHBondContact OD1-N 2.91Å; D160-L164 WeakPolarHBondContact O-CG 3.47Å; D160-L164 PolarHBondContact O-N 3.24Å |
| 161 | I | 85.6 | Confident | 89.8 | Confident | 75 Ų | 75 | 69.7 Ų | 69.7 | 39% | 0.385 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -53.5 | -32.6 | -179.4 | -173.5 | 59.8 | 0 | 0 | 0 | 113.7 | T141 L164 E165 | T141-I161 PolarHBondContact O-N 3.47Å; I161-L164 PolarHBondContact O-N 2.9Å; I161-E165 HydrophobicContact CD1-CG 4.18Å; I161-E165 HydrophobicContact CG1-CG 4.26Å; I161-E165 WeakPolarHBondContact O-CB 3.3Å; I161-E165 VanDerWaalsContact O-CG 3.31Å; I161-E165 WeakPolarHBondContact O-CG 3.44Å; I161-E165 PolarHBondContact O-N 3.42Å |
| 162 | R | 88.8 | Confident | 89.8 | Confident | 176 Ų | 176 | 65.6 Ų | 65.6 | 66% | 0.664 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -69.7 | -42.4 | -179 | -60.8 | 174.3 | -69.4 | -176.4 | -2.6 | 110.7 | D160 Y166 | D160-R162 PolarHBondContact O-N 3.15Å; D160-R162 VanDerWaalsContact O-N 3.09Å; D160-R162 WeakPolarHBondContact OD1-CA 3.43Å; D160-R162 VanDerWaalsContact OD1-CB 3.3Å; D160-R162 WeakPolarHBondContact OD1-CB 3.26Å; D160-R162 PolarHBondContact OD1-N 3.24Å; D160-R162 IonicContact OD1-NE 2.75Å; D160-R162 IonicContact OD2-CZ 3.32Å; D160-R162 IonicContact OD2-NE 3.02Å; D160-R162 PolarHBondContact OD2-NE 3.26Å; D160-R162 IonicContact OD2-NH2 3.56Å; D160-R162 PolarHBondContact OD2-NH2 3.22Å; R162-Y166 WeakPolarHBondContact O-CB 3.45Å; R162-Y166 PolarHBondContact O-N 3.27Å; R162-Y166 VanDerWaalsContact O-N 3.07Å |
| 163 | Y | 87.8 | Confident | 89.7 | Confident | 113 Ų | 113 | 69.7 Ų | 69.7 | 44% | 0.443 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.6 | -44 | 172.1 | -80.1 | -78.7 | 0 | 0 | 0 | 111.2 | D160 E165 Y166 Y167 | D160-Y163 PolarHBondContact O-N 3.39Å; D160-Y163 VanDerWaalsContact O-N 3.09Å; D160-Y163 WeakPolarHBondContact OD1-CD2 3.49Å; D160-Y163 PolarHBondContact OD1-N 2.91Å; Y163-E165 PolarHBondContact O-N 3.43Å; Y163-Y166 PolarHBondContact O-N 2.89Å; Y163-Y167 HydrophobicContact CD1-CE2 4.12Å; Y163-Y167 WeakPolarHBondContact O-CD2 3.38Å; Y163-Y167 PolarHBondContact O-N 3.16Å |
| 164 | L | 87.5 | Confident | 89.5 | Confident | 4 Ų | 4 | 67.4 Ų | 67.4 | 2% | 0.021 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.7 | -45.2 | 179.9 | -59.2 | -175.7 | 0 | 0 | 0 | 111.8 | L137 I140 A143 L159 D160 I161 Y166 Y167 W168 | L137-L164 HydrophobicContact CD1-CB 4.04Å; L137-L164 HydrophobicContact CD1-CD2 3.53Å; L137-L164 HydrophobicContact CD1-CG 4.33Å; L137-L164 HydrophobicContact CD2-CD1 4.38Å; L137-L164 HydrophobicContact CD2-CD2 3.69Å; L137-L164 HydrophobicContact CD2-CG 4.46Å; L137-L164 HydrophobicContact CG-CD2 4.2Å; I140-L164 WeakPolarHBondContact O-CD1 3.5Å; A143-L164 HydrophobicContact CB-CD1 4.41Å; A143-L164 HydrophobicContact CB-CD2 3.86Å; L159-L164 HydrophobicContact CB-CD2 3.63Å; L159-L164 HydrophobicContact CB-CG 4.35Å; L159-L164 HydrophobicContact CD1-CD2 3.96Å; L159-L164 HydrophobicContact CG-CD2 4.47Å; D160-L164 WeakPolarHBondContact O-CG 3.47Å; D160-L164 PolarHBondContact O-N 3.24Å; I161-L164 PolarHBondContact O-N 2.9Å; L164-Y166 VanDerWaalsContact C-N 3.32Å; L164-Y166 PolarHBondContact O-N 3.39Å; L164-Y167 PolarHBondContact O-N 3.32Å; L164-W168 WeakPolarHBondContact O-CB 3.47Å; L164-W168 PolarHBondContact O-N 3.22Å |
| 165 | E | 88.5 | Confident | 89.2 | Confident | 104 Ų | 104 | 67.2 Ų | 67.2 | 49% | 0.486 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61.5 | -39.2 | 176.1 | -76.8 | -179.5 | 170.3 | 0 | 0 | 112.7 | I161 Y163 K169 | I161-E165 HydrophobicContact CD1-CG 4.18Å; I161-E165 HydrophobicContact CG1-CG 4.26Å; I161-E165 WeakPolarHBondContact O-CB 3.3Å; I161-E165 VanDerWaalsContact O-CG 3.31Å; I161-E165 WeakPolarHBondContact O-CG 3.44Å; I161-E165 PolarHBondContact O-N 3.42Å; Y163-E165 PolarHBondContact O-N 3.43Å; E165-K169 WeakPolarHBondContact O-CG 3.17Å; E165-K169 PolarHBondContact O-N 3.01Å; E165-K169 VanDerWaalsContact O-N 3.17Å |
| 166 | Y | 89.9 | Confident | 89.1 | Confident | 129 Ų | 129 | 69 Ų | 69 | 51% | 0.506 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.1 | -53 | 176.9 | 175.7 | -95.6 | 0 | 0 | 0 | 111.4 | R162 Y163 L164 W168 K169 L170 | R162-Y166 WeakPolarHBondContact O-CB 3.45Å; R162-Y166 PolarHBondContact O-N 3.27Å; R162-Y166 VanDerWaalsContact O-N 3.07Å; Y163-Y166 PolarHBondContact O-N 2.89Å; L164-Y166 VanDerWaalsContact C-N 3.32Å; L164-Y166 PolarHBondContact O-N 3.39Å; Y166-W168 VanDerWaalsContact C-N 3.32Å; Y166-W168 PolarHBondContact O-N 2.65Å; Y166-K169 WeakPolarHBondContact O-CB 3.38Å; Y166-K169 PolarHBondContact O-N 3.01Å; Y166-L170 HydrophobicContact CD1-CD1 4.35Å; Y166-L170 HydrophobicContact CE1-CD1 3.64Å; Y166-L170 HydrophobicContact CE1-CG 4.37Å; Y166-L170 PolarHBondContact O-N 2.91Å |
| 167 | Y | 86 | Confident | 89.2 | Confident | 27 Ų | 27 | 71.5 Ų | 71.5 | 11% | 0.106 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -70.6 | -29.4 | 179.9 | -70.8 | -63.6 | 0 | 0 | 0 | 113.1 | Y133 Y163 L164 K169 L170 W171 | Y133-Y167 AromaticContact CD1-CD1 3.36Å; Y133-Y167 HydrophobicContact CD1-CD1 3.36Å; Y133-Y167 AromaticContact CD1-CD2 3.84Å; Y133-Y167 HydrophobicContact CD1-CD2 3.84Å; Y133-Y167 AromaticContact CD1-CE1 3.56Å; Y133-Y167 HydrophobicContact CD1-CE1 3.56Å; Y133-Y167 AromaticContact CD1-CE2 3.98Å; Y133-Y167 HydrophobicContact CD1-CE2 3.98Å; Y133-Y167 AromaticContact CD1-CG 3.57Å; Y133-Y167 HydrophobicContact CD1-CG 3.57Å; Y133-Y167 AromaticContact CD1-CZ 3.91Å; Y133-Y167 AromaticContact CD2-CD1 3.71Å; Y133-Y167 HydrophobicContact CD2-CD1 3.71Å; Y133-Y167 AromaticContact CD2-CE1 3.46Å; Y133-Y167 HydrophobicContact CD2-CE1 3.46Å; Y133-Y167 VanDerWaalsContact CD2-CE1 3.46Å; Y133-Y167 AromaticContact CE1-CD1 3.58Å; Y133-Y167 HydrophobicContact CE1-CD1 3.58Å; Y133-Y167 AromaticContact CE1-CD2 3.6Å; Y133-Y167 HydrophobicContact CE1-CD2 3.6Å; Y133-Y167 AromaticContact CE1-CE1 3.28Å; Y133-Y167 HydrophobicContact CE1-CE1 3.28Å; Y133-Y167 AromaticContact CE1-CE2 3.28Å; Y133-Y167 HydrophobicContact CE1-CE2 3.28Å; Y133-Y167 AromaticContact CE1-CG 3.78Å; Y133-Y167 HydrophobicContact CE1-CG 3.78Å; Y133-Y167 AromaticContact CE1-CZ 3.17Å; Y133-Y167 AromaticContact CE2-CD1 3.83Å; Y133-Y167 HydrophobicContact CE2-CD1 3.83Å; Y133-Y167 AromaticContact CE2-CE1 3.09Å; Y133-Y167 HydrophobicContact CE2-CE1 3.09Å; Y133-Y167 HydrophobicContact CE2-CE2 4.48Å; Y133-Y167 AromaticContact CE2-CZ 3.54Å; Y133-Y167 AromaticContact CG-CD1 3.45Å; Y133-Y167 HydrophobicContact CG-CD1 3.45Å; Y133-Y167 VanDerWaalsContact CG-CD1 3.45Å; Y133-Y167 AromaticContact CG-CE1 3.65Å; Y133-Y167 HydrophobicContact CG-CE1 3.65Å; Y133-Y167 HydrophobicContact CG-CG 4.1Å; Y133-Y167 AromaticContact CZ-CD1 3.82Å; Y133-Y167 AromaticContact CZ-CE1 3.05Å; Y133-Y167 AromaticContact CZ-CE2 3.6Å; Y133-Y167 AromaticContact CZ-CZ 2.96Å; Y133-Y167 PolarHBondContact OH-OH 3.12Å; Y163-Y167 HydrophobicContact CD1-CE2 4.12Å; Y163-Y167 WeakPolarHBondContact O-CD2 3.38Å; Y163-Y167 PolarHBondContact O-N 3.16Å; L164-Y167 PolarHBondContact O-N 3.32Å; Y167-K169 VanDerWaalsContact C-N 3.31Å; Y167-K169 PolarHBondContact O-N 3.47Å; Y167-L170 HydrophobicContact CD1-CD1 3.93Å; Y167-L170 HydrophobicContact CE1-CD1 4.05Å; Y167-L170 PolarHBondContact O-N 3.03Å; Y167-W171 WeakPolarHBondContact O-CB 3.42Å; Y167-W171 PolarHBondContact O-N 2.81Å |
| 168 | W | 87.2 | Confident | 89.2 | Confident | 41 Ų | 41 | 76.7 Ų | 76.7 | 16% | 0.155 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -58.6 | -43.2 | 171.6 | -179.7 | -114.9 | 0 | 0 | 0 | 111.7 | L92 Y94 L137 Q138 L164 Y166 L170 W171 L172 | L92-W168 HydrophobicContact CD1-CH2 3.8Å; L92-W168 HydrophobicContact CD1-CZ2 3.55Å; Y94-W168 AromaticContact CE1-CH2 3.91Å; Y94-W168 HydrophobicContact CE1-CH2 3.91Å; L137-W168 HydrophobicContact CB-CE3 4.17Å; L137-W168 VanDerWaalsContact O-CD2 3.26Å; Q138-W168 HydrophobicContact CG-CD2 3.92Å; Q138-W168 HydrophobicContact CG-CE3 3.79Å; Q138-W168 HydrophobicContact CG-CH2 3.17Å; Q138-W168 HydrophobicContact CG-CZ2 3.28Å; Q138-W168 HydrophobicContact CG-CZ3 3.38Å; L164-W168 WeakPolarHBondContact O-CB 3.47Å; L164-W168 PolarHBondContact O-N 3.22Å; Y166-W168 VanDerWaalsContact C-N 3.32Å; Y166-W168 PolarHBondContact O-N 2.65Å; W168-L170 VanDerWaalsContact C-N 3.34Å; W168-L170 PolarHBondContact O-N 3.05Å; W168-W171 HydrophobicContact CE3-CB 4.49Å; W168-W171 AromaticContact CE3-CD1 3.64Å; W168-W171 HydrophobicContact CE3-CG 4.35Å; W168-W171 AromaticContact CH2-CD1 3.47Å; W168-W171 VanDerWaalsContact CH2-CD1 3.47Å; W168-W171 AromaticContact CH2-NE1 3.74Å; W168-W171 AromaticContact CZ3-CD1 3.08Å; W168-W171 HydrophobicContact CZ3-CG 4.09Å; W168-W171 AromaticContact CZ3-NE1 3.55Å; W168-W171 PolarHBondContact O-N 2.89Å; W168-L172 HydrophobicContact CD2-CG 4.43Å; W168-L172 HydrophobicContact CH2-CD2 4.13Å; W168-L172 HydrophobicContact CZ2-CD1 4.27Å; W168-L172 HydrophobicContact CZ2-CD2 3.47Å; W168-L172 VanDerWaalsContact CZ2-CD2 3.47Å; W168-L172 HydrophobicContact CZ2-CG 3.8Å; W168-L172 WeakPolarHBondContact O-CG 3.44Å; W168-L172 PolarHBondContact O-N 3.3Å |
| 169 | K | 90.5 | Very high | 89.3 | Confident | 132 Ų | 132 | 78.1 Ų | 78.1 | 57% | 0.574 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -63.4 | -37.9 | 175 | -70.1 | 168.5 | -174.9 | 171.5 | 0 | 112.5 | E165 Y166 Y167 K173 | E165-K169 WeakPolarHBondContact O-CG 3.17Å; E165-K169 PolarHBondContact O-N 3.01Å; E165-K169 VanDerWaalsContact O-N 3.17Å; Y166-K169 WeakPolarHBondContact O-CB 3.38Å; Y166-K169 PolarHBondContact O-N 3.01Å; Y167-K169 VanDerWaalsContact C-N 3.31Å; Y167-K169 PolarHBondContact O-N 3.47Å; K169-K173 WeakPolarHBondContact O-CG 3.45Å; K169-K173 PolarHBondContact O-N 2.81Å |
| 170 | L | 89.7 | Confident | 89.4 | Confident | 58 Ų | 58 | 80.8 Ų | 80.8 | 30% | 0.304 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -68.8 | -41.4 | 175.4 | -63.1 | -174.4 | 0 | 0 | 0 | 111.7 | Y166 Y167 W168 K173 R174 | Y166-L170 HydrophobicContact CD1-CD1 4.35Å; Y166-L170 HydrophobicContact CE1-CD1 3.64Å; Y166-L170 HydrophobicContact CE1-CG 4.37Å; Y166-L170 PolarHBondContact O-N 2.91Å; Y167-L170 HydrophobicContact CD1-CD1 3.93Å; Y167-L170 HydrophobicContact CE1-CD1 4.05Å; Y167-L170 PolarHBondContact O-N 3.03Å; W168-L170 VanDerWaalsContact C-N 3.34Å; W168-L170 PolarHBondContact O-N 3.05Å; L170-K173 WeakPolarHBondContact O-CB 3.46Å; L170-K173 PolarHBondContact O-N 3.45Å; L170-R174 PolarHBondContact O-N 3.43Å; L170-R174 VanDerWaalsContact O-N 3.12Å |
| 171 | W | 89.1 | Confident | 89.6 | Confident | 47 Ų | 47 | 83.6 Ų | 83.6 | 18% | 0.178 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -59.3 | -45.6 | 173.7 | 168.9 | -102.3 | 0 | 0 | 0 | 111.7 | Y94 Y167 W168 K173 R174 L175 | Y94-W171 HydrophobicContact CD2-CZ2 4.28Å; Y94-W171 HydrophobicContact CG-CZ2 4.4Å; Y167-W171 WeakPolarHBondContact O-CB 3.42Å; Y167-W171 PolarHBondContact O-N 2.81Å; W168-W171 HydrophobicContact CE3-CB 4.49Å; W168-W171 AromaticContact CE3-CD1 3.64Å; W168-W171 HydrophobicContact CE3-CG 4.35Å; W168-W171 AromaticContact CH2-CD1 3.47Å; W168-W171 VanDerWaalsContact CH2-CD1 3.47Å; W168-W171 AromaticContact CH2-NE1 3.74Å; W168-W171 AromaticContact CZ3-CD1 3.08Å; W168-W171 HydrophobicContact CZ3-CG 4.09Å; W168-W171 AromaticContact CZ3-NE1 3.55Å; W168-W171 PolarHBondContact O-N 2.89Å; W171-K173 VanDerWaalsContact C-N 3.26Å; W171-K173 PolarHBondContact O-N 3.28Å; W171-R174 CarbonylContact O-C 3.6Å; W171-R174 WeakPolarHBondContact O-CA 3.36Å; W171-R174 WeakPolarHBondContact O-CB 3.26Å; W171-R174 PolarHBondContact O-N 3.24Å; W171-L175 HydrophobicContact CZ2-CD1 4.28Å; W171-L175 WeakPolarHBondContact O-CB 3.13Å; W171-L175 PolarHBondContact O-N 3.17Å |
| 172 | L | 90.7 | Very high | 89.6 | Confident | 59 Ų | 59 | 83.1 Ų | 83.1 | 31% | 0.309 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -57 | -38.6 | 175.9 | -76.2 | 177.2 | 0 | 0 | 0 | 112.7 | L92 W168 L175 S176 | L92-L172 HydrophobicContact CD1-CD2 3.69Å; L92-L172 HydrophobicContact CD2-CD2 4.09Å; W168-L172 HydrophobicContact CD2-CG 4.43Å; W168-L172 HydrophobicContact CH2-CD2 4.13Å; W168-L172 HydrophobicContact CZ2-CD1 4.27Å; W168-L172 HydrophobicContact CZ2-CD2 3.47Å; W168-L172 VanDerWaalsContact CZ2-CD2 3.47Å; W168-L172 HydrophobicContact CZ2-CG 3.8Å; W168-L172 WeakPolarHBondContact O-CG 3.44Å; W168-L172 PolarHBondContact O-N 3.3Å; L172-L175 PolarHBondContact O-N 3.42Å; L172-S176 WeakPolarHBondContact O-CB 3.31Å; L172-S176 PolarHBondContact O-N 3.05Å |
| 173 | K | 92.7 | Very high | 89 | Confident | 138 Ų | 138 | 82.4 Ų | 82.4 | 60% | 0.6 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -63 | -45.7 | 173.7 | -68.5 | 176.7 | -179.9 | -177 | 0 | 111.5 | K169 L170 W171 S176 I177 | K169-K173 WeakPolarHBondContact O-CG 3.45Å; K169-K173 PolarHBondContact O-N 2.81Å; L170-K173 WeakPolarHBondContact O-CB 3.46Å; L170-K173 PolarHBondContact O-N 3.45Å; W171-K173 VanDerWaalsContact C-N 3.26Å; W171-K173 PolarHBondContact O-N 3.28Å; K173-S176 PolarHBondContact O-N 3.44Å; K173-I177 WeakPolarHBondContact O-CG1 3.43Å; K173-I177 PolarHBondContact O-N 3.28Å |
| 174 | R | 90.5 | Very high | 88.5 | Confident | 93 Ų | 93 | 83 Ų | 83 | 35% | 0.351 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -63 | -41.6 | 176.9 | -68.6 | -171 | -67.9 | -159.2 | 2.1 | 112.1 | Y133 D134 L170 W171 I177 Y178 | Y133-R174 PolarHBondContact O-NH1 2.94Å; Y133-R174 PolarHBondContact O-NH2 3.45Å; D134-R174 IonicContact OD1-CZ 2.86Å; D134-R174 IonicContact OD1-NE 3.79Å; D134-R174 IonicContact OD1-NH1 3.58Å; D134-R174 PolarHBondContact OD1-NH1 2.97Å; D134-R174 IonicContact OD1-NH2 3.23Å; D134-R174 PolarHBondContact OD1-NH2 2.82Å; L170-R174 PolarHBondContact O-N 3.43Å; L170-R174 VanDerWaalsContact O-N 3.12Å; W171-R174 CarbonylContact O-C 3.6Å; W171-R174 WeakPolarHBondContact O-CA 3.36Å; W171-R174 WeakPolarHBondContact O-CB 3.26Å; W171-R174 PolarHBondContact O-N 3.24Å; R174-I177 PolarHBondContact O-N 3.17Å; R174-Y178 PolarHBondContact O-N 3.31Å |
| 175 | L | 90.1 | Very high | 87.5 | Confident | 10 Ų | 10 | 87.8 Ų | 87.8 | 5% | 0.052 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -64.9 | -42.1 | 177.6 | -174.4 | 63 | 0 | 0 | 0 | 111.5 | L92 Y94 W171 L172 Y178 W179 | L92-L175 HydrophobicContact CB-CD2 3.88Å; L92-L175 HydrophobicContact CD1-CD2 4.48Å; Y94-L175 HydrophobicContact CD1-CD2 3.73Å; Y94-L175 HydrophobicContact CE1-CD2 4.44Å; Y94-L175 HydrophobicContact CG-CD2 4.39Å; W171-L175 HydrophobicContact CZ2-CD1 4.28Å; W171-L175 WeakPolarHBondContact O-CB 3.13Å; W171-L175 PolarHBondContact O-N 3.17Å; L172-L175 PolarHBondContact O-N 3.42Å; L175-Y178 WeakPolarHBondContact O-CB 3.3Å; L175-Y178 PolarHBondContact O-N 3.02Å; L175-W179 PolarHBondContact O-N 3.07Å |
| 176 | S | 92 | Very high | 86 | Confident | 70 Ų | 70 | 88.4 Ų | 88.4 | 49% | 0.49 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -60.9 | -43.4 | 173.9 | 169.1 | 0 | 0 | 0 | 0 | 112 | L172 K173 W179 T180 | L172-S176 WeakPolarHBondContact O-CB 3.31Å; L172-S176 PolarHBondContact O-N 3.05Å; K173-S176 PolarHBondContact O-N 3.44Å; S176-W179 PolarHBondContact O-N 3.09Å; S176-T180 WeakPolarHBondContact O-CB 3.44Å; S176-T180 PolarHBondContact O-N 2.85Å; S176-T180 PolarHBondContact O-OG1 2.88Å |
| 177 | I | 92.4 | Very high | 84.7 | Confident | 98 Ų | 98 | 91.5 Ų | 91.5 | 50% | 0.503 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -60.4 | -48.1 | 174 | -68.7 | 160.6 | 0 | 0 | 0 | 110.2 | K173 R174 W179 T180 E181 | K173-I177 WeakPolarHBondContact O-CG1 3.43Å; K173-I177 PolarHBondContact O-N 3.28Å; R174-I177 PolarHBondContact O-N 3.17Å; I177-W179 PolarHBondContact O-N 3.07Å; I177-T180 WeakPolarHBondContact O-CB 3.41Å; I177-T180 PolarHBondContact O-N 3.42Å; I177-T180 VanDerWaalsContact O-N 3.16Å; I177-E181 HydrophobicContact CG2-CG 4.2Å; I177-E181 WeakPolarHBondContact O-CG 3.33Å; I177-E181 PolarHBondContact O-N 3.09Å |
| 178 | Y | 90.6 | Very high | 84.6 | Confident | 133 Ų | 133 | 94.8 Ų | 94.8 | 52% | 0.522 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -53.9 | -51.4 | 178.4 | 173.1 | -92.7 | 0 | 0 | 0 | 112 | R174 L175 T180 E181 V182 | R174-Y178 PolarHBondContact O-N 3.31Å; L175-Y178 WeakPolarHBondContact O-CB 3.3Å; L175-Y178 PolarHBondContact O-N 3.02Å; Y178-T180 VanDerWaalsContact C-N 3.33Å; Y178-T180 PolarHBondContact O-N 3.5Å; Y178-E181 PolarHBondContact O-N 3.36Å; Y178-V182 HydrophobicContact CD1-CG2 4.21Å; Y178-V182 HydrophobicContact CD2-CG2 4.25Å; Y178-V182 HydrophobicContact CE1-CG2 3.8Å; Y178-V182 HydrophobicContact CE2-CG2 3.85Å; Y178-V182 HydrophobicContact CG-CG2 4.42Å; Y178-V182 VanDerWaalsContact O-CG2 3.3Å; Y178-V182 WeakPolarHBondContact O-CG2 3.36Å; Y178-V182 PolarHBondContact O-N 2.68Å |
| 179 | W | 91.2 | Very high | 84.5 | Confident | 89 Ų | 89 | 97.6 Ų | 97.6 | 34% | 0.337 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.7 | -39.8 | 178.7 | -70.8 | 120.6 | 0 | 0 | 0 | 112.5 | L92 C93 L175 S176 I177 E181 V182 E183 | L92-W179 PolarHBondContact O-NE1 2.99Å; C93-W179 HydrophobicContact CB-CH2 3.93Å; C93-W179 HydrophobicContact CB-CZ2 3.5Å; C93-W179 VanDerWaalsContact O-CZ2 3.24Å; C93-W179 WeakPolarHBondContact O-CZ2 3.43Å; L175-W179 PolarHBondContact O-N 3.07Å; S176-W179 PolarHBondContact O-N 3.09Å; I177-W179 PolarHBondContact O-N 3.07Å; W179-E181 VanDerWaalsContact C-N 3.32Å; W179-E181 PolarHBondContact O-N 2.75Å; W179-V182 PolarHBondContact O-N 3Å; W179-E183 WeakPolarHBondContact O-CG 3.49Å; W179-E183 PolarHBondContact O-N 3.37Å |
| 180 | T | 91.3 | Very high | 84.2 | Confident | 65 Ų | 65 | 95.7 Ų | 95.7 | 40% | 0.399 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.3 | -37.7 | 177 | -53.8 | 0 | 0 | 0 | 0 | 112.1 | S176 I177 Y178 K184 | S176-T180 WeakPolarHBondContact O-CB 3.44Å; S176-T180 PolarHBondContact O-N 2.85Å; S176-T180 PolarHBondContact O-OG1 2.88Å; I177-T180 WeakPolarHBondContact O-CB 3.41Å; I177-T180 PolarHBondContact O-N 3.42Å; I177-T180 VanDerWaalsContact O-N 3.16Å; Y178-T180 VanDerWaalsContact C-N 3.33Å; Y178-T180 PolarHBondContact O-N 3.5Å; T180-K184 WeakPolarHBondContact O-CG 3.5Å |
| 181 | E | 90.3 | Very high | 83.8 | Confident | 95 Ų | 95 | 97.9 Ų | 97.9 | 44% | 0.444 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -78.1 | -35.9 | 178.2 | -64.3 | -49.2 | 135.7 | 0 | 0 | 112.5 | I177 Y178 W179 E183 K184 | I177-E181 HydrophobicContact CG2-CG 4.2Å; I177-E181 WeakPolarHBondContact O-CG 3.33Å; I177-E181 PolarHBondContact O-N 3.09Å; Y178-E181 PolarHBondContact O-N 3.36Å; W179-E181 VanDerWaalsContact C-N 3.32Å; W179-E181 PolarHBondContact O-N 2.75Å; E181-E183 VanDerWaalsContact C-N 3.34Å; E181-K184 PolarHBondContact O-N 2.74Å; E181-K184 IonicContact OE1-NZ 2.68Å; E181-K184 PolarHBondContact OE1-NZ 3.02Å; E181-K184 IonicContact OE2-NZ 2.95Å; E181-K184 PolarHBondContact OE2-NZ 2.95Å |
| 182 | V | 85.1 | Confident | 83.5 | Confident | 64 Ų | 64 | 101.1 Ų | 101.1 | 39% | 0.388 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.2 | -39.9 | 176 | 169.3 | 0 | 0 | 0 | 0 | 111.2 | Y178 W179 K184 V185 | Y178-V182 HydrophobicContact CD1-CG2 4.21Å; Y178-V182 HydrophobicContact CD2-CG2 4.25Å; Y178-V182 HydrophobicContact CE1-CG2 3.8Å; Y178-V182 HydrophobicContact CE2-CG2 3.85Å; Y178-V182 HydrophobicContact CG-CG2 4.42Å; Y178-V182 VanDerWaalsContact O-CG2 3.3Å; Y178-V182 WeakPolarHBondContact O-CG2 3.36Å; Y178-V182 PolarHBondContact O-N 2.68Å; W179-V182 PolarHBondContact O-N 3Å; V182-K184 PolarHBondContact O-N 3.28Å; V182-V185 PolarHBondContact O-N 3.32Å; V182-V185 VanDerWaalsContact O-N 3.15Å |
| 183 | E | 76.8 | Confident | 83 | Confident | 161 Ų | 161 | 103.9 Ų | 103.9 | 75% | 0.752 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -22.7 | 176.3 | -76.5 | 177.5 | 179.3 | 0 | 0 | 113.7 | W179 E181 V185 | W179-E183 WeakPolarHBondContact O-CG 3.49Å; W179-E183 PolarHBondContact O-N 3.37Å; E181-E183 VanDerWaalsContact C-N 3.34Å; E183-V185 VanDerWaalsContact C-N 3.33Å |
| 184 | K | 76.2 | Confident | 82.4 | Confident | 126 Ų | 126 | 101.4 Ų | 101.4 | 55% | 0.548 | 54% | 0.538 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -13.3 | 177.1 | -66.6 | 175.3 | -161.3 | 165.4 | 0 | 113.6 | T180 E181 V182 P186 | T180-K184 WeakPolarHBondContact O-CG 3.5Å; E181-K184 PolarHBondContact O-N 2.74Å; E181-K184 IonicContact OE1-NZ 2.68Å; E181-K184 PolarHBondContact OE1-NZ 3.02Å; E181-K184 IonicContact OE2-NZ 2.95Å; E181-K184 PolarHBondContact OE2-NZ 2.95Å; V182-K184 PolarHBondContact O-N 3.28Å; K184-P186 VanDerWaalsContact O-CD 3.3Å; K184-P186 WeakPolarHBondContact O-CD 3.37Å |
| 185 | V | 66.9 | Low | 81.7 | Confident | 105 Ų | 105 | 102.1 Ų | 102.1 | 64% | 0.636 | 55% | 0.553 | S | S | * | * | S | Bend | trans | -83.4 | 112.2 | 178.5 | -175 | 0 | 0 | 0 | 0 | 107.7 | V182 E183 | V182-V185 PolarHBondContact O-N 3.32Å; V182-V185 VanDerWaalsContact O-N 3.15Å; E183-V185 VanDerWaalsContact C-N 3.33Å |
| 186 | P | 56.5 | Low | 81 | Confident | 116 Ų | 116 | 109.8 Ų | 109.8 | 75% | 0.753 | 60% | 0.595 | S | S | * | * | trans | -58.8 | 141.8 | 174.9 | -17.2 | 30.7 | 0 | 0 | 0 | 109.7 | K184 | K184-P186 VanDerWaalsContact O-CD 3.3Å; K184-P186 WeakPolarHBondContact O-CD 3.37Å | ||
| 187 | S | 63.2 | Low | 80 | Confident | 195 Ų | 195 | 113.4 Ų | 113.4 | 100% | 1.364 | 60% | 0.604 | S | S | * | * | trans | -66.4 | 0 | 175.9 | 25.2 | 0 | 0 | 0 | 0 | 112.6 |
Retrieved 187 of 187 residues in 387.7 ms
(Link to these results)