| 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 | 36.5 | Very low | 43.4 | Very low | 246 Ų | 246 | 158.5 Ų | 158.5 | 100% | 1.212 | 82% | 0.823 | S | S | * | * | 0 | 91.4 | 0 | -72.5 | -173.1 | 172 | 0 | 0 | 108.9 | |||||
| 2 | L | 34.3 | Very low | 44.3 | Very low | 173 Ų | 173 | 152.8 Ų | 152.8 | 91% | 0.906 | 79% | 0.788 | S | S | * | * | trans | -108.1 | 109.7 | 174.9 | -94.3 | 149.1 | 0 | 0 | 0 | 107.9 | F4 | L2-F4 PolarHBondContact O-N 3.37Å; L2-F4 VanDerWaalsContact O-N 3.16Å | ||
| 3 | R | 40.9 | Very low | 45.2 | Very low | 247 Ų | 247 | 146.5 Ų | 146.5 | 93% | 0.932 | 76% | 0.763 | S | S | * | * | trans | -70.7 | 97.5 | 177.5 | -84.1 | 174.8 | 139.4 | 175.7 | -5.3 | 109.5 | G5 | R3-G5 VanDerWaalsContact C-N 3.25Å; R3-G5 PolarHBondContact O-N 3.46Å | ||
| 4 | F | 36.8 | Very low | 45.9 | Very low | 220 Ų | 220 | 139.5 Ų | 139.5 | 97% | 0.965 | 74% | 0.736 | S | S | * | * | trans | -90.7 | 67.7 | 155 | -104.5 | -87.6 | 0 | 0 | 0 | 108.6 | L2 | L2-F4 PolarHBondContact O-N 3.37Å; L2-F4 VanDerWaalsContact O-N 3.16Å | ||
| 5 | G | 46.3 | Very low | 46.6 | Very low | 71 Ų | 71 | 135.4 Ų | 135.4 | 73% | 0.732 | 72% | 0.715 | S | S | * | * | trans | -132.5 | 98.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | R3 | R3-G5 VanDerWaalsContact C-N 3.25Å; R3-G5 PolarHBondContact O-N 3.46Å | ||
| 6 | G | 44.3 | Very low | 47.5 | Very low | 79 Ų | 79 | 133.7 Ų | 133.7 | 81% | 0.814 | 71% | 0.705 | S | S | * | * | S | Bend | trans | 126.7 | 74.7 | 168.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 7 | S | 46.1 | Very low | 48.3 | Very low | 107 Ų | 107 | 130.2 Ų | 130.2 | 75% | 0.748 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -152.6 | -25.6 | 157.2 | -159.7 | 0 | 0 | 0 | 0 | 113.3 | R9 | S7-R9 PolarHBondContact O-N 3.19Š|
| 8 | M | 46 | Very low | 49.3 | Very low | 131 Ų | 131 | 128.8 Ų | 128.8 | 65% | 0.645 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -77.7 | -16.3 | 179.9 | -62.6 | -171 | 87.9 | 0 | 0 | 114.8 | ||
| 9 | R | 49.8 | Very low | 49.8 | Very low | 236 Ų | 236 | 126.2 Ų | 126.2 | 89% | 0.891 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -79.4 | -18 | -178.3 | -105.4 | -177.8 | 176.6 | -150.5 | -0.6 | 114.6 | S7 P13 | S7-R9 PolarHBondContact O-N 3.19Å; R9-P13 WeakPolarHBondContact O-CD 3.21Å |
| 10 | G | 46.2 | Very low | 50.2 | Low | 50 Ų | 50 | 125 Ų | 125 | 52% | 0.515 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -90.2 | -25.3 | -179 | 0 | 0 | 0 | 0 | 0 | 113.8 | P13 A14 | G10-P13 WeakPolarHBondContact O-CD 3.35Å; G10-P13 WeakPolarHBondContact O-CG 3.33Å; G10-A14 WeakPolarHBondContact O-CB 3.5Å; G10-A14 PolarHBondContact O-N 3.46Å |
| 11 | W | 50.8 | Low | 50.4 | Low | 184 Ų | 184 | 121.9 Ų | 121.9 | 70% | 0.697 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -79.1 | -35.5 | -175.4 | -161.1 | 0.1 | 0 | 0 | 0 | 112.5 | A14 L15 | W11-A14 PolarHBondContact O-N 3.35Å; W11-L15 VanDerWaalsContact CD1-CD1 3.45Å; W11-L15 HydrophobicContact CD2-CD1 4.23Å; W11-L15 HydrophobicContact CG-CD1 4.05Å; W11-L15 HydrophobicContact CZ2-CD1 4.44Å; W11-L15 WeakPolarHBondContact O-CB 3.46Å; W11-L15 PolarHBondContact O-N 3.39Å |
| 12 | F | 53.8 | Low | 51 | Low | 90 Ų | 90 | 112.4 Ų | 112.4 | 40% | 0.395 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -58.3 | -51.2 | 176.3 | -86.8 | -79.1 | 0 | 0 | 0 | 114.8 | A14 L15 L16 W274 | F12-A14 VanDerWaalsContact C-N 3.27Å; F12-A14 PolarHBondContact O-N 2.81Å; F12-L15 PolarHBondContact O-N 3.47Å; F12-L16 VanDerWaalsContact O-CB 3.23Å; F12-L16 WeakPolarHBondContact O-CB 3.43Å; F12-L16 PolarHBondContact O-N 3.32Å; F12-W274 AromaticContact CD1-CH2 3.81Å; F12-W274 HydrophobicContact CD1-CH2 3.81Å; F12-W274 HydrophobicContact CD1-CZ2 4.41Å; F12-W274 HydrophobicContact CD1-CZ3 4.07Å; F12-W274 HydrophobicContact CD2-CH2 4.16Å; F12-W274 AromaticContact CD2-CZ2 3.95Å; F12-W274 HydrophobicContact CD2-CZ2 3.95Å; F12-W274 HydrophobicContact CE1-CD2 4.14Å; F12-W274 AromaticContact CE1-CE3 3.63Å; F12-W274 HydrophobicContact CE1-CE3 3.63Å; F12-W274 AromaticContact CE1-CH2 3.21Å; F12-W274 HydrophobicContact CE1-CH2 3.21Å; F12-W274 AromaticContact CE1-CZ2 3.77Å; F12-W274 HydrophobicContact CE1-CZ2 3.77Å; F12-W274 AromaticContact CE1-CZ3 3.13Å; F12-W274 HydrophobicContact CE1-CZ3 3.13Å; F12-W274 HydrophobicContact CE2-CD2 4.04Å; F12-W274 AromaticContact CE2-CE2 3.44Å; F12-W274 VanDerWaalsContact CE2-CE2 3.44Å; F12-W274 HydrophobicContact CE2-CE3 4.35Å; F12-W274 AromaticContact CE2-CH2 3.61Å; F12-W274 HydrophobicContact CE2-CH2 3.61Å; F12-W274 AromaticContact CE2-CZ2 3.21Å; F12-W274 HydrophobicContact CE2-CZ2 3.21Å; F12-W274 HydrophobicContact CE2-CZ3 4.17Å; F12-W274 AromaticContact CE2-NE1 3.94Å; F12-W274 HydrophobicContact CG-CH2 4.27Å; F12-W274 AromaticContact CZ-CD2 3.35Å; F12-W274 HydrophobicContact CZ-CD2 3.35Å; F12-W274 AromaticContact CZ-CE2 3.23Å; F12-W274 AromaticContact CZ-CE3 3.33Å; F12-W274 HydrophobicContact CZ-CE3 3.33Å; F12-W274 HydrophobicContact CZ-CG 4.23Å; F12-W274 AromaticContact CZ-CH2 3.13Å; F12-W274 HydrophobicContact CZ-CH2 3.13Å; F12-W274 AromaticContact CZ-CZ2 3.15Å; F12-W274 HydrophobicContact CZ-CZ2 3.15Å; F12-W274 AromaticContact CZ-CZ3 3.23Å; F12-W274 HydrophobicContact CZ-CZ3 3.23Å |
| 13 | P | 56.6 | Low | 51.7 | Low | 71 Ų | 71 | 109.4 Ų | 109.4 | 46% | 0.461 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -68.3 | -27.8 | 175.7 | 25.6 | -32.8 | 0 | 0 | 0 | 112.3 | R9 G10 S17 | R9-P13 WeakPolarHBondContact O-CD 3.21Å; G10-P13 WeakPolarHBondContact O-CD 3.35Å; G10-P13 WeakPolarHBondContact O-CG 3.33Å; P13-S17 WeakPolarHBondContact O-CB 3.48Å; P13-S17 PolarHBondContact O-N 3.35Å; P13-S17 PolarHBondContact O-OG 3.47Å; P13-S17 VanDerWaalsContact O-OG 3.06Å |
| 14 | A | 54.5 | Low | 52 | Low | 48 Ų | 48 | 100 Ų | 100 | 40% | 0.397 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -72 | -44.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | G10 W11 F12 S17 V18 | G10-A14 WeakPolarHBondContact O-CB 3.5Å; G10-A14 PolarHBondContact O-N 3.46Å; W11-A14 PolarHBondContact O-N 3.35Å; F12-A14 VanDerWaalsContact C-N 3.27Å; F12-A14 PolarHBondContact O-N 2.81Å; A14-S17 PolarHBondContact O-N 3.39Å; A14-V18 WeakPolarHBondContact O-CB 3.43Å; A14-V18 VanDerWaalsContact O-CG2 3.23Å; A14-V18 WeakPolarHBondContact O-CG2 3.4Å; A14-V18 PolarHBondContact O-N 3.47Å |
| 15 | L | 56.6 | Low | 52.4 | Low | 78 Ų | 78 | 92.9 Ų | 92.9 | 41% | 0.408 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -65.4 | -42.7 | 174.8 | -101 | 160.1 | 0 | 0 | 0 | 111.2 | W11 F12 V18 L19 | W11-L15 VanDerWaalsContact CD1-CD1 3.45Å; W11-L15 HydrophobicContact CD2-CD1 4.23Å; W11-L15 HydrophobicContact CG-CD1 4.05Å; W11-L15 HydrophobicContact CZ2-CD1 4.44Å; W11-L15 WeakPolarHBondContact O-CB 3.46Å; W11-L15 PolarHBondContact O-N 3.39Å; F12-L15 PolarHBondContact O-N 3.47Å; L15-V18 PolarHBondContact O-N 3.44Å; L15-L19 WeakPolarHBondContact O-CB 3.4Å; L15-L19 PolarHBondContact O-N 2.76Å |
| 16 | L | 60.7 | Low | 52.3 | Low | 108 Ų | 108 | 93.6 Ų | 93.6 | 57% | 0.565 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -65.7 | -40.3 | 176.5 | -169.9 | 66 | 0 | 0 | 0 | 111.4 | F12 L19 L20 | F12-L16 VanDerWaalsContact O-CB 3.23Å; F12-L16 WeakPolarHBondContact O-CB 3.43Å; F12-L16 PolarHBondContact O-N 3.32Å; L16-L19 PolarHBondContact O-N 3.13Å; L16-L20 HydrophobicContact CD1-CD1 4.46Å; L16-L20 HydrophobicContact CG-CD1 3.91Å; L16-L20 VanDerWaalsContact O-CB 3.3Å; L16-L20 WeakPolarHBondContact O-CB 3.49Å; L16-L20 WeakPolarHBondContact O-CD1 3.43Å; L16-L20 WeakPolarHBondContact O-CG 3.4Å; L16-L20 PolarHBondContact O-N 3.46Å |
| 17 | S | 61.8 | Low | 52.3 | Low | 75 Ų | 75 | 95 Ų | 95 | 52% | 0.524 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -65.5 | -37.3 | 172.8 | -79.2 | 0 | 0 | 0 | 0 | 112.9 | P13 A14 A21 | P13-S17 WeakPolarHBondContact O-CB 3.48Å; P13-S17 PolarHBondContact O-N 3.35Å; P13-S17 PolarHBondContact O-OG 3.47Å; P13-S17 VanDerWaalsContact O-OG 3.06Å; A14-S17 PolarHBondContact O-N 3.39Å; S17-A21 WeakPolarHBondContact O-CB 3.39Å; S17-A21 PolarHBondContact O-N 3.36Å |
| 18 | V | 65.6 | Low | 51.7 | Low | 104 Ų | 104 | 92.8 Ų | 92.8 | 63% | 0.63 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -69 | -38.5 | 175 | 169.4 | 0 | 0 | 0 | 0 | 110.9 | A14 L15 A21 G22 | A14-V18 WeakPolarHBondContact O-CB 3.43Å; A14-V18 VanDerWaalsContact O-CG2 3.23Å; A14-V18 WeakPolarHBondContact O-CG2 3.4Å; A14-V18 PolarHBondContact O-N 3.47Å; L15-V18 PolarHBondContact O-N 3.44Å; V18-A21 PolarHBondContact O-N 2.92Å; V18-G22 PolarHBondContact O-N 2.79Å |
| 19 | L | 58.8 | Low | 51.3 | Low | 79 Ų | 79 | 91.7 Ų | 91.7 | 41% | 0.414 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -66 | -44.2 | 173.3 | -104.1 | 128 | 0 | 0 | 0 | 112 | L15 L16 G22 L23 | L15-L19 WeakPolarHBondContact O-CB 3.4Å; L15-L19 PolarHBondContact O-N 2.76Å; L16-L19 PolarHBondContact O-N 3.13Å; L19-G22 PolarHBondContact O-N 3.24Å; L19-L23 WeakPolarHBondContact O-CB 3.47Å; L19-L23 WeakPolarHBondContact O-CD1 3.38Å; L19-L23 WeakPolarHBondContact O-CG 3.43Å; L19-L23 PolarHBondContact O-N 2.82Å |
| 20 | L | 57.8 | Low | 50.6 | Low | 102 Ų | 102 | 86.6 Ų | 86.6 | 53% | 0.534 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -66.3 | -37.6 | 175.4 | -83.5 | 154.5 | 0 | 0 | 0 | 111.9 | L16 L23 A24 | L16-L20 HydrophobicContact CD1-CD1 4.46Å; L16-L20 HydrophobicContact CG-CD1 3.91Å; L16-L20 VanDerWaalsContact O-CB 3.3Å; L16-L20 WeakPolarHBondContact O-CB 3.49Å; L16-L20 WeakPolarHBondContact O-CD1 3.43Å; L16-L20 WeakPolarHBondContact O-CG 3.4Å; L16-L20 PolarHBondContact O-N 3.46Å; L20-L23 PolarHBondContact O-N 3.49Å; L20-A24 WeakPolarHBondContact O-CB 3.23Å; L20-A24 PolarHBondContact O-N 2.64Å |
| 21 | A | 54.6 | Low | 50.2 | Low | 60 Ų | 60 | 90.8 Ų | 90.8 | 50% | 0.496 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -69.2 | -37.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | S17 V18 A24 A25 | S17-A21 WeakPolarHBondContact O-CB 3.39Å; S17-A21 PolarHBondContact O-N 3.36Å; V18-A21 PolarHBondContact O-N 2.92Å; A21-A24 PolarHBondContact O-N 2.68Å; A21-A25 VanDerWaalsContact O-CB 3.24Å; A21-A25 WeakPolarHBondContact O-CB 3.42Å; A21-A25 PolarHBondContact O-N 2.94Å |
| 22 | G | 49.3 | Very low | 49.7 | Very low | 47 Ų | 47 | 89.4 Ų | 89.4 | 49% | 0.485 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -65.9 | -38.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | V18 L19 A26 | V18-G22 PolarHBondContact O-N 2.79Å; L19-G22 PolarHBondContact O-N 3.24Å; G22-A26 PolarHBondContact O-N 2.84Å |
| 23 | L | 49.4 | Very low | 49 | Very low | 110 Ų | 110 | 91.6 Ų | 91.6 | 58% | 0.576 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -71.7 | -39.5 | 173.6 | -79 | 156.8 | 0 | 0 | 0 | 111.9 | L19 L20 A26 T27 | L19-L23 WeakPolarHBondContact O-CB 3.47Å; L19-L23 WeakPolarHBondContact O-CD1 3.38Å; L19-L23 WeakPolarHBondContact O-CG 3.43Å; L19-L23 PolarHBondContact O-N 2.82Å; L20-L23 PolarHBondContact O-N 3.49Å; L23-A26 PolarHBondContact O-N 2.66Å; L23-T27 PolarHBondContact O-N 3.03Å; L23-T27 PolarHBondContact O-OG1 3.13Å |
| 24 | A | 47.6 | Very low | 48.2 | Very low | 51 Ų | 51 | 96.3 Ų | 96.3 | 42% | 0.421 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -68.2 | -38.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L20 A21 A26 T27 S28 | L20-A24 WeakPolarHBondContact O-CB 3.23Å; L20-A24 PolarHBondContact O-N 2.64Å; A21-A24 PolarHBondContact O-N 2.68Å; A24-A26 PolarHBondContact O-N 3.32Å; A24-T27 WeakPolarHBondContact CA-OG1 3.34Å; A24-T27 CarbonylContact O-C 3.59Å; A24-T27 PolarHBondContact O-N 3.47Å; A24-T27 VanDerWaalsContact O-N 3.09Å; A24-T27 PolarHBondContact O-OG1 3.46Å; A24-T27 VanDerWaalsContact O-OG1 3.05Å; A24-S28 PolarHBondContact O-N 2.97Å |
| 25 | A | 44.7 | Very low | 47.8 | Very low | 70 Ų | 70 | 101.2 Ų | 101.2 | 58% | 0.579 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -67.7 | -24.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | A21 | A21-A25 VanDerWaalsContact O-CB 3.24Å; A21-A25 WeakPolarHBondContact O-CB 3.42Å; A21-A25 PolarHBondContact O-N 2.94Å |
| 26 | A | 44.4 | Very low | 47.4 | Very low | 85 Ų | 85 | 103.3 Ų | 103.3 | 70% | 0.702 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -80.5 | -18.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | G22 L23 A24 | G22-A26 PolarHBondContact O-N 2.84Å; L23-A26 PolarHBondContact O-N 2.66Å; A24-A26 PolarHBondContact O-N 3.32Å |
| 27 | T | 42.7 | Very low | 46.8 | Very low | 109 Ų | 109 | 100.9 Ų | 100.9 | 67% | 0.669 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -106.6 | -8.6 | -179.6 | 56.1 | 0 | 0 | 0 | 0 | 114.8 | L23 A24 S29 | L23-T27 PolarHBondContact O-N 3.03Å; L23-T27 PolarHBondContact O-OG1 3.13Å; A24-T27 WeakPolarHBondContact CA-OG1 3.34Å; A24-T27 CarbonylContact O-C 3.59Å; A24-T27 PolarHBondContact O-N 3.47Å; A24-T27 VanDerWaalsContact O-N 3.09Å; A24-T27 PolarHBondContact O-OG1 3.46Å; A24-T27 VanDerWaalsContact O-OG1 3.05Å; T27-S29 PolarHBondContact O-N 2.99Å; T27-S29 VanDerWaalsContact O-N 3.11Å |
| 28 | S | 35.2 | Very low | 45.9 | Very low | 60 Ų | 60 | 103.4 Ų | 103.4 | 42% | 0.42 | 62% | 0.621 | S | S | . | * | trans | -80.7 | 93.4 | 178.2 | 63.9 | 0 | 0 | 0 | 0 | 110.9 | A24 D30 | A24-S28 PolarHBondContact O-N 2.97Å; S28-D30 PolarHBondContact O-N 2.76Å | ||
| 29 | S | 37.6 | Very low | 45.3 | Very low | 109 Ų | 109 | 103.5 Ų | 103.5 | 76% | 0.762 | 62% | 0.616 | S | S | * | * | trans | -71.5 | 43.3 | 170.9 | 49.9 | 0 | 0 | 0 | 0 | 113.5 | T27 | T27-S29 PolarHBondContact O-N 2.99Å; T27-S29 VanDerWaalsContact O-N 3.11Å | ||
| 30 | D | 35 | Very low | 44.7 | Very low | 128 Ų | 128 | 103.8 Ų | 103.8 | 68% | 0.684 | 62% | 0.618 | S | S | * | * | trans | -135.3 | 32.6 | -175 | -68.1 | -63 | 0 | 0 | 0 | 112.9 | S28 | S28-D30 PolarHBondContact O-N 2.76Š| ||
| 31 | L | 36 | Very low | 44.3 | Very low | 138 Ų | 138 | 106.9 Ų | 106.9 | 72% | 0.723 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -89 | -3 | 178 | -99.8 | 166.2 | 0 | 0 | 0 | 114.4 | ||
| 32 | F | 40.7 | Very low | 43.9 | Very low | 156 Ų | 156 | 108.2 Ų | 108.2 | 68% | 0.684 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -102.9 | -15.7 | -171.4 | -70.2 | -73.3 | 0 | 0 | 0 | 115.5 | N34 Q35 | F32-N34 VanDerWaalsContact C-N 3.27Å; F32-N34 PolarHBondContact O-N 3.49Å; F32-Q35 PolarHBondContact O-N 3.4Å |
| 33 | D | 38.6 | Very low | 44 | Very low | 136 Ų | 136 | 112.4 Ų | 112.4 | 73% | 0.727 | 63% | 0.633 | S | S | * | * | G | 310 helix | trans | -69.8 | -24.8 | -177.8 | -109.2 | -69.7 | 0 | 0 | 0 | 113.2 | Q35 | D33-Q35 VanDerWaalsContact C-N 3.31Å; D33-Q35 PolarHBondContact O-N 3Å |
| 34 | N | 41.6 | Very low | 44.1 | Very low | 169 Ų | 169 | 113.9 Ų | 113.9 | 90% | 0.904 | 64% | 0.635 | S | S | * | * | G | 310 helix | trans | -84.5 | -0.4 | -179.4 | -117.7 | -35.4 | 0 | 0 | 0 | 114.2 | F32 | F32-N34 VanDerWaalsContact C-N 3.27Å; F32-N34 PolarHBondContact O-N 3.49Å |
| 35 | Q | 45.2 | Very low | 44.2 | Very low | 152 Ų | 152 | 115.7 Ų | 115.7 | 71% | 0.71 | 64% | 0.635 | S | S | * | * | G | 310 helix | trans | -100.8 | -8.3 | -178.5 | -146.9 | 177.6 | 7.4 | 0 | 0 | 113.6 | F32 D33 G37 | F32-Q35 PolarHBondContact O-N 3.4Å; D33-Q35 VanDerWaalsContact C-N 3.31Å; D33-Q35 PolarHBondContact O-N 3Å; Q35-G37 PolarHBondContact O-N 3.42Å |
| 36 | L | 47.2 | Very low | 44.5 | Very low | 121 Ų | 121 | 115.6 Ų | 115.6 | 63% | 0.634 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -87.4 | 86.9 | 169.1 | -79.7 | 78.4 | 0 | 0 | 0 | 108.3 | ||
| 37 | G | 48.4 | Very low | 44.7 | Very low | 57 Ų | 57 | 117.5 Ų | 117.5 | 59% | 0.588 | 62% | 0.624 | S | S | * | * | trans | -54.7 | 165.7 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q35 I39 | Q35-G37 PolarHBondContact O-N 3.42Å; G37-I39 WeakPolarHBondContact O-CG2 3.48Å; G37-I39 PolarHBondContact O-N 3.3Å | ||
| 38 | D | 42.8 | Very low | 45.1 | Very low | 129 Ų | 129 | 117 Ų | 117 | 69% | 0.69 | 62% | 0.616 | S | S | * | * | trans | -42.7 | 96 | -168.8 | -166.7 | 3.9 | 0 | 0 | 0 | 114.8 | N40 | D38-N40 PolarHBondContact O-N 3.36Å; D38-N40 VanDerWaalsContact OD1-CB 3.24Å; D38-N40 WeakPolarHBondContact OD1-CB 3.25Å; D38-N40 PolarHBondContact OD1-N 2.95Å; D38-N40 PolarHBondContact OD1-ND2 2.85Å | ||
| 39 | I | 53.3 | Low | 45.8 | Very low | 106 Ų | 106 | 118.9 Ų | 118.9 | 54% | 0.544 | 63% | 0.626 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76.6 | 1.6 | -179.5 | 50.5 | 169.3 | 0 | 0 | 0 | 113 | G37 Y41 C42 K43 | G37-I39 WeakPolarHBondContact O-CG2 3.48Å; G37-I39 PolarHBondContact O-N 3.3Å; I39-Y41 PolarHBondContact O-N 2.98Å; I39-C42 PolarHBondContact O-N 3.49Å; I39-K43 WeakPolarHBondContact O-CB 3.28Å; I39-K43 PolarHBondContact O-N 3.45Å |
| 40 | N | 47.3 | Very low | 46.4 | Very low | 85 Ų | 85 | 118.9 Ų | 118.9 | 46% | 0.455 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -61 | -32.6 | -179.8 | -84.8 | -58.9 | 0 | 0 | 0 | 113.1 | D38 K44 | D38-N40 PolarHBondContact O-N 3.36Å; D38-N40 VanDerWaalsContact OD1-CB 3.24Å; D38-N40 WeakPolarHBondContact OD1-CB 3.25Å; D38-N40 PolarHBondContact OD1-N 2.95Å; D38-N40 PolarHBondContact OD1-ND2 2.85Å; N40-K44 WeakPolarHBondContact O-CB 3.41Å; N40-K44 VanDerWaalsContact O-CG 3.28Å; N40-K44 WeakPolarHBondContact O-CG 3.42Å; N40-K44 PolarHBondContact O-N 3.31Å |
| 41 | Y | 48.4 | Very low | 46.8 | Very low | 167 Ų | 167 | 120.6 Ų | 120.6 | 66% | 0.655 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -66.5 | -46.5 | 176.5 | -175.3 | -98.4 | 0 | 0 | 0 | 111.3 | I39 K43 K44 Q45 | I39-Y41 PolarHBondContact O-N 2.98Å; Y41-K43 PolarHBondContact O-N 3.06Å; Y41-K44 PolarHBondContact O-N 3.28Å; Y41-Q45 PolarHBondContact O-N 3.02Å |
| 42 | C | 47.4 | Very low | 47.5 | Very low | 88 Ų | 88 | 120.9 Ų | 120.9 | 60% | 0.595 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -63.9 | -41.8 | 177.2 | -169.3 | 0 | 0 | 0 | 0 | 111.6 | I39 K44 Q45 C46 | I39-C42 PolarHBondContact O-N 3.49Å; C42-K44 VanDerWaalsContact C-N 3.35Å; C42-K44 PolarHBondContact O-N 3.32Å; C42-Q45 PolarHBondContact O-N 2.92Å; C42-C46 VanDerWaalsContact O-CB 3.31Å; C42-C46 WeakPolarHBondContact O-CB 3.29Å; C42-C46 PolarHBondContact O-N 3.4Å |
| 43 | K | 49.8 | Very low | 47.9 | Very low | 134 Ų | 134 | 122 Ų | 122 | 58% | 0.583 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -61.2 | -41.8 | 176 | -168.6 | 177.2 | -177.5 | 177.8 | 0 | 112 | I39 Y41 Q47 | I39-K43 WeakPolarHBondContact O-CB 3.28Å; I39-K43 PolarHBondContact O-N 3.45Å; Y41-K43 PolarHBondContact O-N 3.06Å; K43-Q47 VanDerWaalsContact O-CB 3.32Å; K43-Q47 WeakPolarHBondContact O-CB 3.23Å; K43-Q47 WeakPolarHBondContact O-CG 3.5Å; K43-Q47 PolarHBondContact O-N 3.42Å |
| 44 | K | 52.4 | Low | 48 | Very low | 141 Ų | 141 | 120.1 Ų | 120.1 | 61% | 0.613 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -68.5 | -41.1 | 176.6 | -77 | 178.3 | -178.6 | -179.6 | 0 | 112.2 | N40 Y41 C42 Q47 L48 | N40-K44 WeakPolarHBondContact O-CB 3.41Å; N40-K44 VanDerWaalsContact O-CG 3.28Å; N40-K44 WeakPolarHBondContact O-CG 3.42Å; N40-K44 PolarHBondContact O-N 3.31Å; Y41-K44 PolarHBondContact O-N 3.28Å; C42-K44 VanDerWaalsContact C-N 3.35Å; C42-K44 PolarHBondContact O-N 3.32Å; K44-Q47 PolarHBondContact O-N 3.37Å; K44-L48 WeakPolarHBondContact O-CG 3.27Å; K44-L48 PolarHBondContact O-N 2.93Å |
| 45 | Q | 49.8 | Very low | 48.2 | Very low | 89 Ų | 89 | 118.1 Ų | 118.1 | 42% | 0.416 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -65.7 | -42.1 | 178.1 | -137.8 | 73.9 | -15 | 0 | 0 | 111.3 | Y41 C42 L48 T49 | Y41-Q45 PolarHBondContact O-N 3.02Å; C42-Q45 PolarHBondContact O-N 2.92Å; Q45-L48 PolarHBondContact O-N 3.4Å; Q45-T49 PolarHBondContact O-N 3.13Å; Q45-T49 PolarHBondContact O-OG1 3.05Å; Q45-T49 VanDerWaalsContact O-OG1 3.06Å |
| 46 | C | 49.7 | Very low | 47.8 | Very low | 68 Ų | 68 | 115.9 Ų | 115.9 | 46% | 0.459 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -64.5 | -42.9 | 175.5 | -169.1 | 0 | 0 | 0 | 0 | 111.7 | C42 L48 T49 I50 | C42-C46 VanDerWaalsContact O-CB 3.31Å; C42-C46 WeakPolarHBondContact O-CB 3.29Å; C42-C46 PolarHBondContact O-N 3.4Å; C46-L48 VanDerWaalsContact C-N 3.35Å; C46-L48 PolarHBondContact O-N 3.18Å; C46-T49 PolarHBondContact O-N 2.91Å; C46-I50 VanDerWaalsContact O-CG1 3.28Å; C46-I50 WeakPolarHBondContact O-CG1 3.34Å; C46-I50 PolarHBondContact O-N 3.23Å |
| 47 | Q | 49 | Very low | 47.3 | Very low | 125 Ų | 125 | 119 Ų | 119 | 58% | 0.584 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -61.9 | -38.2 | 174.7 | -79.7 | -105.7 | -27.8 | 0 | 0 | 112.9 | K43 K44 I50 K51 | K43-Q47 VanDerWaalsContact O-CB 3.32Å; K43-Q47 WeakPolarHBondContact O-CB 3.23Å; K43-Q47 WeakPolarHBondContact O-CG 3.5Å; K43-Q47 PolarHBondContact O-N 3.42Å; K44-Q47 PolarHBondContact O-N 3.37Å; Q47-I50 PolarHBondContact O-N 3.45Å; Q47-K51 VanDerWaalsContact O-CB 3.25Å; Q47-K51 WeakPolarHBondContact O-CB 3.22Å; Q47-K51 PolarHBondContact O-N 3.37Å |
| 48 | L | 52.7 | Low | 47.1 | Very low | 99 Ų | 99 | 121.3 Ų | 121.3 | 52% | 0.518 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -68.6 | -37.7 | 176.2 | -73.7 | 167.7 | 0 | 0 | 0 | 112.1 | K44 Q45 C46 K51 N52 | K44-L48 WeakPolarHBondContact O-CG 3.27Å; K44-L48 PolarHBondContact O-N 2.93Å; Q45-L48 PolarHBondContact O-N 3.4Å; C46-L48 VanDerWaalsContact C-N 3.35Å; C46-L48 PolarHBondContact O-N 3.18Å; L48-K51 PolarHBondContact O-N 2.91Å; L48-N52 WeakPolarHBondContact O-CB 3.25Å; L48-N52 PolarHBondContact O-N 3.28Å; L48-N52 PolarHBondContact O-ND2 3.31Å |
| 49 | T | 48.6 | Very low | 46.7 | Very low | 100 Ų | 100 | 123 Ų | 123 | 61% | 0.613 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -67.2 | -36.3 | 175.2 | -55.8 | 0 | 0 | 0 | 0 | 112.2 | Q45 C46 | Q45-T49 PolarHBondContact O-N 3.13Å; Q45-T49 PolarHBondContact O-OG1 3.05Å; Q45-T49 VanDerWaalsContact O-OG1 3.06Å; C46-T49 PolarHBondContact O-N 2.91Å |
| 50 | I | 50.7 | Low | 46.3 | Very low | 109 Ų | 109 | 124.2 Ų | 124.2 | 56% | 0.559 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -72.1 | -42 | 175.3 | -65 | 165.2 | 0 | 0 | 0 | 110.8 | C46 Q47 K53 | C46-I50 VanDerWaalsContact O-CG1 3.28Å; C46-I50 WeakPolarHBondContact O-CG1 3.34Å; C46-I50 PolarHBondContact O-N 3.23Å; Q47-I50 PolarHBondContact O-N 3.45Å; I50-K53 CarbonylContact O-C 3.59Å; I50-K53 PolarHBondContact O-N 3.02Å; I50-K53 VanDerWaalsContact O-N 3.11Å |
| 51 | K | 43.5 | Very low | 45.6 | Very low | 163 Ų | 163 | 123.4 Ų | 123.4 | 71% | 0.709 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -71.5 | -31.3 | -177 | -158.2 | 176.1 | -174.2 | -178.1 | 0 | 113.3 | Q47 L48 K53 | Q47-K51 VanDerWaalsContact O-CB 3.25Å; Q47-K51 WeakPolarHBondContact O-CB 3.22Å; Q47-K51 PolarHBondContact O-N 3.37Å; L48-K51 PolarHBondContact O-N 2.91Å; K51-K53 PolarHBondContact O-N 3.35Å |
| 52 | N | 50.6 | Low | 45.2 | Very low | 144 Ų | 144 | 126.9 Ų | 126.9 | 77% | 0.77 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | -0.7 | 172.1 | -77.7 | -35.4 | 0 | 0 | 0 | 113.6 | L48 | L48-N52 WeakPolarHBondContact O-CB 3.25Å; L48-N52 PolarHBondContact O-N 3.28Å; L48-N52 PolarHBondContact O-ND2 3.31Å |
| 53 | K | 48.6 | Very low | 44.5 | Very low | 181 Ų | 181 | 128.9 Ų | 128.9 | 79% | 0.787 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -122.4 | 73.4 | 177.8 | -154.3 | 162.4 | -174.8 | 179.6 | 0 | 110.6 | I50 K51 | I50-K53 CarbonylContact O-C 3.59Å; I50-K53 PolarHBondContact O-N 3.02Å; I50-K53 VanDerWaalsContact O-N 3.11Å; K51-K53 PolarHBondContact O-N 3.35Å |
| 54 | S | 40.3 | Very low | 44.1 | Very low | 96 Ų | 96 | 127.4 Ų | 127.4 | 67% | 0.671 | 70% | 0.703 | S | S | * | * | trans | -161.5 | 155.5 | 160.5 | 58.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 55 | P | 46.5 | Very low | 43.5 | Very low | 126 Ų | 126 | 129.2 Ų | 129.2 | 82% | 0.818 | 71% | 0.707 | S | S | * | * | cis | -125.1 | 101.4 | -28.6 | 32.7 | -13.9 | 0 | 0 | 0 | 109.1 | ||||
| 56 | A | 37.1 | Very low | 43.1 | Very low | 105 Ų | 105 | 133.5 Ų | 133.5 | 87% | 0.868 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -109 | 97.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||
| 57 | K | 36.1 | Very low | 42.6 | Very low | 186 Ų | 186 | 137 Ų | 137 | 81% | 0.809 | 74% | 0.741 | S | S | * | * | trans | 74.4 | 86.1 | 166.5 | -119 | 162.5 | 179.8 | 175.2 | 0 | 116.5 | E59 | K57-E59 PolarHBondContact O-N 2.89Š| ||
| 58 | A | 43.8 | Very low | 42.2 | Very low | 106 Ų | 106 | 138.1 Ų | 138.1 | 88% | 0.876 | 75% | 0.746 | S | S | * | * | trans | -66.4 | 110.2 | 146.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 59 | E | 36 | Very low | 41.6 | Very low | 164 Ų | 164 | 139.4 Ų | 139.4 | 77% | 0.766 | 76% | 0.762 | S | S | * | * | trans | -144.6 | 114.8 | 154.4 | -102.9 | -175 | 166.6 | 0 | 0 | 109.2 | K57 | K57-E59 PolarHBondContact O-N 2.89Š| ||
| 60 | S | 44.7 | Very low | 41.2 | Very low | 133 Ų | 133 | 143.1 Ų | 143.1 | 93% | 0.93 | 77% | 0.77 | S | S | * | * | S | Bend | trans | 37.2 | 95.6 | 153.5 | -165.2 | 0 | 0 | 0 | 0 | 117.5 | ||
| 61 | G | 32.4 | Very low | 40.8 | Very low | 67 Ų | 67 | 145.2 Ų | 145.2 | 69% | 0.691 | 78% | 0.783 | S | S | * | * | trans | 173.4 | 109.7 | 165.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | D63 | G61-D63 PolarHBondContact O-N 3.49Š| ||
| 62 | Y | 39.7 | Very low | 40.5 | Very low | 241 Ų | 241 | 142.3 Ų | 142.3 | 95% | 0.945 | 78% | 0.783 | S | S | * | * | trans | -57.6 | 107.2 | 167.6 | -116.9 | -101 | 0 | 0 | 0 | 108.4 | ||||
| 63 | D | 33 | Very low | 39.8 | Very low | 130 Ų | 130 | 141 Ų | 141 | 70% | 0.695 | 78% | 0.775 | S | S | * | * | trans | -105.9 | 109.3 | 175.7 | -123.1 | -17.7 | 0 | 0 | 0 | 109.1 | G61 Y65 | G61-D63 PolarHBondContact O-N 3.49Å; D63-Y65 PolarHBondContact O-N 3.38Å | ||
| 64 | P | 39.9 | Very low | 39.5 | Very low | 102 Ų | 102 | 138.8 Ų | 138.8 | 66% | 0.662 | 77% | 0.771 | S | S | * | * | G | 310 helix | trans | -75.7 | 2.7 | -174.3 | 28.1 | -31.9 | 0 | 0 | 0 | 114.5 | ||
| 65 | Y | 40.6 | Very low | 39.5 | Very low | 179 Ų | 179 | 137.8 Ų | 137.8 | 70% | 0.702 | 76% | 0.764 | S | S | * | * | G | 310 helix | trans | -90 | 1.4 | -173.8 | -76.3 | -80.2 | 0 | 0 | 0 | 115.5 | D63 N67 | D63-Y65 PolarHBondContact O-N 3.38Å; Y65-N67 VanDerWaalsContact C-N 3.29Å; Y65-N67 PolarHBondContact O-N 2.93Å |
| 66 | H | 40.9 | Very low | 39.3 | Very low | 180 Ų | 180 | 137.1 Ų | 137.1 | 83% | 0.833 | 76% | 0.758 | S | S | * | * | G | 310 helix | trans | -79.7 | -5.2 | -175.2 | -141.5 | -66.1 | 0 | 0 | 0 | 114.9 | ||
| 67 | N | 39.4 | Very low | 39.5 | Very low | 141 Ų | 141 | 140.4 Ų | 140.4 | 75% | 0.754 | 75% | 0.753 | S | S | * | * | G | 310 helix | trans | -119.1 | 4.8 | -177.4 | -84.2 | -10.8 | 0 | 0 | 0 | 115.4 | Y65 C69 | Y65-N67 VanDerWaalsContact C-N 3.29Å; Y65-N67 PolarHBondContact O-N 2.93Å; N67-C69 VanDerWaalsContact C-N 3.27Å; N67-C69 PolarHBondContact O-N 2.78Å |
| 68 | Q | 40.1 | Very low | 39.7 | Very low | 148 Ų | 148 | 138.6 Ų | 138.6 | 69% | 0.692 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.3 | 29.2 | -175.7 | -153.1 | 125.4 | 53.7 | 0 | 0 | 114.3 | ||
| 69 | C | 42 | Very low | 39.3 | Very low | 127 Ų | 127 | 139.6 Ų | 139.6 | 86% | 0.858 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135 | 8.7 | 172.2 | -103.1 | 0 | 0 | 0 | 0 | 113.6 | N67 | N67-C69 VanDerWaalsContact C-N 3.27Å; N67-C69 PolarHBondContact O-N 2.78Å |
| 70 | F | 39.5 | Very low | 39.3 | Very low | 177 Ų | 177 | 138.8 Ų | 138.8 | 78% | 0.776 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -119.9 | -7.3 | -177.7 | -140.7 | -95.7 | 0 | 0 | 0 | 115.6 | ||
| 71 | N | 42.8 | Very low | 39.3 | Very low | 154 Ų | 154 | 138.6 Ų | 138.6 | 82% | 0.824 | 72% | 0.716 | S | S | * | * | trans | -153.2 | 63.2 | 175.9 | -83.2 | -47.4 | 0 | 0 | 0 | 111.4 | ||||
| 72 | S | 36 | Very low | 39.6 | Very low | 101 Ų | 101 | 142.8 Ų | 142.8 | 71% | 0.706 | 72% | 0.716 | S | S | * | * | trans | -113.8 | 92.7 | 158.8 | 58.9 | 0 | 0 | 0 | 0 | 107.8 | I74 | S72-I74 PolarHBondContact O-N 3.23Š| ||
| 73 | D | 36.6 | Very low | 39.4 | Very low | 116 Ų | 116 | 135.1 Ų | 135.1 | 62% | 0.62 | 70% | 0.697 | S | S | * | * | trans | -19.6 | 111.8 | 161.1 | -83.2 | -64.6 | 0 | 0 | 0 | 114.2 | S75 | D73-S75 WeakPolarHBondContact CB-OG 3.39Å; D73-S75 PolarHBondContact O-N 3.24Å; D73-S75 PolarHBondContact OD1-OG 2.88Å | ||
| 74 | I | 42 | Very low | 40 | Very low | 136 Ų | 136 | 132.7 Ų | 132.7 | 70% | 0.697 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.7 | 2.7 | 156.8 | -75 | 169.7 | 0 | 0 | 0 | 110.9 | S72 Y78 | S72-I74 PolarHBondContact O-N 3.23Å; I74-Y78 HydrophobicContact CG2-CD2 3.88Å; I74-Y78 HydrophobicContact CG2-CE2 3.8Å; I74-Y78 WeakPolarHBondContact O-CD2 3.22Å |
| 75 | S | 40.5 | Very low | 40.2 | Very low | 74 Ų | 74 | 132 Ų | 132 | 52% | 0.517 | 68% | 0.684 | S | S | . | * | H | α-helix | trans | -75.2 | -24.3 | 179.6 | -35.1 | 0 | 0 | 0 | 0 | 113.4 | D73 | D73-S75 WeakPolarHBondContact CB-OG 3.39Å; D73-S75 PolarHBondContact O-N 3.24Å; D73-S75 PolarHBondContact OD1-OG 2.88Å |
| 76 | V | 42.2 | Very low | 40.3 | Very low | 113 Ų | 113 | 134.1 Ų | 134.1 | 69% | 0.685 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -85.1 | -27.6 | -175.2 | -177.3 | 0 | 0 | 0 | 0 | 113 | ||
| 77 | F | 40.4 | Very low | 40.2 | Very low | 174 Ų | 174 | 130.7 Ų | 130.7 | 76% | 0.763 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -86.1 | -20 | -177.9 | -123.2 | -88.5 | 0 | 0 | 0 | 114 | ||
| 78 | Y | 40.4 | Very low | 40.4 | Very low | 148 Ų | 148 | 129 Ų | 129 | 58% | 0.58 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -80.9 | -22.9 | 179.3 | -92.8 | -88 | 0 | 0 | 0 | 113.4 | I74 | I74-Y78 HydrophobicContact CG2-CD2 3.88Å; I74-Y78 HydrophobicContact CG2-CE2 3.8Å; I74-Y78 WeakPolarHBondContact O-CD2 3.22Å |
| 79 | N | 36.6 | Very low | 40.5 | Very low | 127 Ų | 127 | 130.4 Ų | 130.4 | 68% | 0.679 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -81 | -28.7 | -171.7 | -146.2 | 25.2 | 0 | 0 | 0 | 113.5 | ||
| 80 | E | 36.2 | Very low | 40.2 | Very low | 147 Ų | 147 | 132 Ų | 132 | 69% | 0.687 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -87.6 | -17.9 | -179.8 | -83 | -66.9 | 161.5 | 0 | 0 | 114.4 | S83 | E80-S83 PolarHBondContact O-OG 3.21Å |
| 81 | L | 43.7 | Very low | 40.4 | Very low | 128 Ų | 128 | 125.4 Ų | 125.4 | 67% | 0.67 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -86.8 | -25.2 | 172.7 | -103.2 | 103 | 0 | 0 | 0 | 113.2 | ||
| 82 | F | 39.7 | Very low | 40.2 | Very low | 156 Ų | 156 | 121.8 Ų | 121.8 | 68% | 0.684 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -86.2 | -19.1 | -177.4 | -113.7 | -88.2 | 0 | 0 | 0 | 113.7 | V84 | F82-V84 PolarHBondContact O-N 2.88Å |
| 83 | S | 35 | Very low | 40.4 | Very low | 80 Ų | 80 | 122.2 Ų | 122.2 | 56% | 0.559 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.7 | -14.6 | 177.2 | 61.3 | 0 | 0 | 0 | 0 | 113.6 | E80 | E80-S83 PolarHBondContact O-OG 3.21Š|
| 84 | V | 45.3 | Very low | 40.6 | Very low | 79 Ų | 79 | 121 Ų | 121 | 48% | 0.479 | 65% | 0.646 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -93.4 | -4.4 | -176.2 | -177.4 | 0 | 0 | 0 | 0 | 113.5 | F82 | F82-V84 PolarHBondContact O-N 2.88Š|
| 85 | S | 44.9 | Very low | 40.7 | Very low | 86 Ų | 86 | 120.2 Ų | 120.2 | 60% | 0.601 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.7 | 74.1 | -172.9 | 174.1 | 0 | 0 | 0 | 0 | 113.5 | ||
| 86 | Y | 42.8 | Very low | 40.7 | Very low | 224 Ų | 224 | 120.9 Ų | 120.9 | 88% | 0.878 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.4 | -3.7 | 155.2 | -91.2 | -84.5 | 0 | 0 | 0 | 114.1 | ||
| 87 | D | 37.3 | Very low | 40.5 | Very low | 109 Ų | 109 | 122.2 Ų | 122.2 | 58% | 0.583 | 65% | 0.646 | S | S | * | * | trans | -140.8 | 117.2 | 175.1 | -94.6 | -46.8 | 0 | 0 | 0 | 111.9 | E89 K90 | D87-E89 PolarHBondContact O-N 3.39Å; D87-K90 PolarHBondContact O-N 3.16Å | ||
| 88 | A | 44 | Very low | 40.6 | Very low | 104 Ų | 104 | 118.8 Ų | 118.8 | 86% | 0.86 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.1 | -13.3 | -178 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 89 | E | 42.5 | Very low | 40.8 | Very low | 179 Ų | 179 | 118.3 Ų | 118.3 | 84% | 0.836 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91 | -26.8 | -176.8 | -156.9 | 174.7 | 178.7 | 0 | 0 | 113.3 | D87 | D87-E89 PolarHBondContact O-N 3.39Š|
| 90 | K | 35.8 | Very low | 40.9 | Very low | 161 Ų | 161 | 121 Ų | 121 | 70% | 0.7 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | -13.6 | 178.6 | -72.4 | -175.2 | -179.5 | -177.8 | 0 | 114.3 | D87 A92 | D87-K90 PolarHBondContact O-N 3.16Å; K90-A92 VanDerWaalsContact C-N 3.29Å; K90-A92 PolarHBondContact O-N 3.33Å |
| 91 | A | 42.9 | Very low | 41.1 | Very low | 37 Ų | 37 | 119.5 Ų | 119.5 | 31% | 0.306 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -68.1 | -24.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | I95 | A91-I95 WeakPolarHBondContact O-CD1 3.42Å; A91-I95 VanDerWaalsContact O-CG1 3.24Å; A91-I95 WeakPolarHBondContact O-CG1 3.42Å |
| 92 | A | 39.9 | Very low | 41.1 | Very low | 79 Ų | 79 | 117.5 Ų | 117.5 | 65% | 0.653 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -73.9 | -28.4 | -177 | 0 | 0 | 0 | 0 | 0 | 113.7 | K90 | K90-A92 VanDerWaalsContact C-N 3.29Å; K90-A92 PolarHBondContact O-N 3.33Å |
| 93 | V | 39 | Very low | 41.2 | Very low | 109 Ų | 109 | 114.4 Ų | 114.4 | 66% | 0.661 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -81.5 | -29.3 | -174.2 | 179 | 0 | 0 | 0 | 0 | 112.2 | ||
| 94 | N | 40.8 | Very low | 41.3 | Very low | 92 Ų | 92 | 118.2 Ų | 118.2 | 49% | 0.492 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -88.6 | -6.6 | -179.8 | -93.3 | -14.1 | 0 | 0 | 0 | 114.9 | S96 V98 | N94-S96 VanDerWaalsContact C-N 3.31Å; N94-S96 PolarHBondContact O-N 2.95Å; N94-V98 PolarHBondContact O-N 3.11Å |
| 95 | I | 44.8 | Very low | 41.1 | Very low | 118 Ų | 118 | 122.6 Ų | 122.6 | 61% | 0.605 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -73.7 | -23.1 | 178.7 | -69.2 | 164.5 | 0 | 0 | 0 | 111.8 | A91 | A91-I95 WeakPolarHBondContact O-CD1 3.42Å; A91-I95 VanDerWaalsContact O-CG1 3.24Å; A91-I95 WeakPolarHBondContact O-CG1 3.42Å |
| 96 | S | 39.9 | Very low | 41 | Very low | 89 Ų | 89 | 121.7 Ų | 121.7 | 62% | 0.622 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -78.5 | -27.1 | 177 | 78.1 | 0 | 0 | 0 | 0 | 113.5 | N94 | N94-S96 VanDerWaalsContact C-N 3.31Å; N94-S96 PolarHBondContact O-N 2.95Å |
| 97 | E | 38.3 | Very low | 40.9 | Very low | 141 Ų | 141 | 117.1 Ų | 117.1 | 66% | 0.659 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -81.4 | -38.7 | -178.5 | -72.8 | -109.7 | 141.1 | 0 | 0 | 112.3 | L99 F100 | E97-L99 VanDerWaalsContact C-N 3.27Å; E97-L99 PolarHBondContact O-N 3.49Å; E97-F100 PolarHBondContact O-N 3.48Å; E97-F100 VanDerWaalsContact O-N 3.14Å |
| 98 | V | 43.2 | Very low | 41.1 | Very low | 102 Ų | 102 | 118.5 Ų | 118.5 | 62% | 0.618 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -70 | -25.8 | 179.4 | -179.9 | 0 | 0 | 0 | 0 | 112.1 | N94 F100 | N94-V98 PolarHBondContact O-N 3.11Å; V98-F100 PolarHBondContact O-N 2.92Å |
| 99 | L | 43.4 | Very low | 41 | Very low | 138 Ų | 138 | 117.7 Ų | 117.7 | 72% | 0.723 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.9 | -19.9 | 175.2 | -163.6 | 66.1 | 0 | 0 | 0 | 112.6 | E97 | E97-L99 VanDerWaalsContact C-N 3.27Å; E97-L99 PolarHBondContact O-N 3.49Å |
| 100 | F | 38.7 | Very low | 41.2 | Very low | 182 Ų | 182 | 120.2 Ų | 120.2 | 80% | 0.798 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | -20 | -176.1 | -146.2 | -94.9 | 0 | 0 | 0 | 113.8 | E97 V98 P103 | E97-F100 PolarHBondContact O-N 3.48Å; E97-F100 VanDerWaalsContact O-N 3.14Å; V98-F100 PolarHBondContact O-N 2.92Å; F100-P103 WeakPolarHBondContact O-CD 3.48Å |
| 101 | V | 41.3 | Very low | 41.6 | Very low | 117 Ų | 117 | 114.7 Ų | 114.7 | 71% | 0.709 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -88.1 | -9.9 | -178.9 | -174.7 | 0 | 0 | 0 | 0 | 112.8 | ||
| 102 | S | 43.4 | Very low | 41.6 | Very low | 85 Ų | 85 | 117.7 Ų | 117.7 | 59% | 0.594 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | -7.1 | -176.2 | -67.9 | 0 | 0 | 0 | 0 | 118.5 | ||
| 103 | P | 40.9 | Very low | 41.9 | Very low | 92 Ų | 92 | 118.7 Ų | 118.7 | 60% | 0.597 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.6 | -20.8 | 175.6 | -11.2 | 26.7 | 0 | 0 | 0 | 114.2 | F100 A106 | F100-P103 WeakPolarHBondContact O-CD 3.48Å; P103-A106 PolarHBondContact O-N 3.37Å |
| 104 | L | 37.7 | Very low | 42 | Very low | 159 Ų | 159 | 120.7 Ų | 120.7 | 83% | 0.832 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | -15.2 | -164.9 | -140.9 | 81.7 | 0 | 0 | 0 | 115.1 | ||
| 105 | L | 42 | Very low | 42.1 | Very low | 172 Ų | 172 | 125.1 Ų | 125.1 | 90% | 0.901 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.3 | 5.7 | 173 | -82.5 | 155.5 | 0 | 0 | 0 | 112.7 | V107 | L105-V107 PolarHBondContact O-N 3.32Å; L105-V107 VanDerWaalsContact O-N 3.15Å |
| 106 | A | 41.8 | Very low | 42.1 | Very low | 67 Ų | 67 | 126.1 Ų | 126.1 | 55% | 0.554 | 69% | 0.694 | S | S | * | * | trans | -81.9 | 26.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | P103 | P103-A106 PolarHBondContact O-N 3.37Š| ||
| 107 | V | 41.5 | Very low | 42.5 | Very low | 127 Ų | 127 | 126.9 Ų | 126.9 | 77% | 0.77 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -106.5 | 97.8 | 170.6 | -172.7 | 0 | 0 | 0 | 0 | 107.1 | L105 | L105-V107 PolarHBondContact O-N 3.32Å; L105-V107 VanDerWaalsContact O-N 3.15Å |
| 108 | D | 40.8 | Very low | 43.1 | Very low | 138 Ų | 138 | 122.2 Ų | 122.2 | 74% | 0.738 | 68% | 0.676 | S | S | * | * | S | Bend | trans | 123.6 | 17.7 | 150.7 | -143.2 | 27.2 | 0 | 0 | 0 | 119 | ||
| 109 | A | 42.8 | Very low | 43.7 | Very low | 88 Ų | 88 | 123.2 Ų | 123.2 | 73% | 0.727 | 67% | 0.674 | S | S | * | * | trans | -108 | 90.2 | 163 | 0 | 0 | 0 | 0 | 0 | 110.6 | G111 | A109-G111 PolarHBondContact O-N 2.89Š| ||
| 110 | R | 45.4 | Very low | 44.1 | Very low | 231 Ų | 231 | 123.8 Ų | 123.8 | 87% | 0.872 | 67% | 0.671 | S | S | * | * | trans | -58.8 | 108.2 | 175 | -68.1 | -179 | -163.6 | -141.5 | 1.2 | 111 | C112 | R110-C112 PolarHBondContact O-N 3.11Š| ||
| 111 | G | 44.8 | Very low | 45 | Very low | 45 Ų | 45 | 119.1 Ų | 119.1 | 46% | 0.464 | 65% | 0.653 | S | S | . | * | S | Bend | trans | 79.3 | -44.1 | 138.1 | 0 | 0 | 0 | 0 | 0 | 119 | A109 Y115 | A109-G111 PolarHBondContact O-N 2.89Å; G111-Y115 VanDerWaalsContact O-CD2 3.24Å; G111-Y115 WeakPolarHBondContact O-CD2 3.45Å |
| 112 | C | 44.3 | Very low | 45.7 | Very low | 101 Ų | 101 | 117.7 Ų | 117.7 | 68% | 0.682 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -84.9 | -39.4 | -165.6 | -146.8 | 0 | 0 | 0 | 0 | 113.6 | R110 | R110-C112 PolarHBondContact O-N 3.11Å |
| 113 | C | 45.9 | Very low | 46.5 | Very low | 100 Ų | 100 | 116.2 Ų | 116.2 | 68% | 0.676 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -81.1 | -16.7 | -176.5 | -62 | 0 | 0 | 0 | 0 | 113.9 | L117 | C113-L117 VanDerWaalsContact O-CB 3.28Å; C113-L117 WeakPolarHBondContact O-CB 3.37Å; C113-L117 PolarHBondContact O-N 2.65Å; C113-L117 VanDerWaalsContact O-N 3.16Å |
| 114 | F | 40.6 | Very low | 47.3 | Very low | 150 Ų | 150 | 117.6 Ų | 117.6 | 66% | 0.658 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -74.7 | -40.7 | -175 | -148.3 | -89.8 | 0 | 0 | 0 | 112.1 | A118 | F114-A118 WeakPolarHBondContact O-CB 3.41Å; F114-A118 PolarHBondContact O-N 3.4Å |
| 115 | Y | 41.7 | Very low | 48.4 | Very low | 185 Ų | 185 | 116.3 Ų | 116.3 | 73% | 0.725 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -69.3 | -39.4 | 178.4 | -69.2 | -77 | 0 | 0 | 0 | 112.3 | G111 A118 E119 | G111-Y115 VanDerWaalsContact O-CD2 3.24Å; G111-Y115 WeakPolarHBondContact O-CD2 3.45Å; Y115-A118 PolarHBondContact O-N 2.91Å; Y115-E119 WeakPolarHBondContact O-CB 3.3Å; Y115-E119 PolarHBondContact O-N 3.48Å |
| 116 | Q | 46.7 | Very low | 49.1 | Very low | 139 Ų | 139 | 115 Ų | 115 | 65% | 0.65 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -75.8 | -28 | -178.3 | -138.6 | 148.4 | 12.3 | 0 | 0 | 112.6 | K120 | Q116-K120 VanDerWaalsContact O-CB 3.25Å; Q116-K120 WeakPolarHBondContact O-CB 3.17Å; Q116-K120 PolarHBondContact O-N 3.3Å; Q116-K120 VanDerWaalsContact O-N 3.14Å |
| 117 | L | 48.1 | Very low | 49.8 | Very low | 105 Ų | 105 | 117.9 Ų | 117.9 | 55% | 0.55 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -72.4 | -42.7 | 171.4 | -171 | 66.9 | 0 | 0 | 0 | 111.5 | C113 K120 I121 | C113-L117 VanDerWaalsContact O-CB 3.28Å; C113-L117 WeakPolarHBondContact O-CB 3.37Å; C113-L117 PolarHBondContact O-N 2.65Å; C113-L117 VanDerWaalsContact O-N 3.16Å; L117-K120 PolarHBondContact O-N 2.88Å; L117-I121 HydrophobicContact CD1-CD1 4.37Å; L117-I121 HydrophobicContact CG-CD1 3.91Å; L117-I121 WeakPolarHBondContact O-CB 3.42Å; L117-I121 WeakPolarHBondContact O-CG1 3.48Å; L117-I121 PolarHBondContact O-N 3.11Å |
| 118 | A | 51.2 | Low | 50.3 | Low | 44 Ų | 44 | 117 Ų | 117 | 36% | 0.364 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -61 | -45.4 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | F114 Y115 K120 I121 E122 | F114-A118 WeakPolarHBondContact O-CB 3.41Å; F114-A118 PolarHBondContact O-N 3.4Å; Y115-A118 PolarHBondContact O-N 2.91Å; A118-K120 PolarHBondContact O-N 2.97Å; A118-I121 PolarHBondContact O-N 2.94Å; A118-E122 WeakPolarHBondContact O-CG 3.43Å; A118-E122 PolarHBondContact O-N 2.83Å |
| 119 | E | 54.4 | Low | 50.8 | Low | 123 Ų | 123 | 117.6 Ų | 117.6 | 58% | 0.575 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -64.6 | -39.3 | 177.8 | -170.6 | -179.6 | -176.5 | 0 | 0 | 112.1 | Y115 E122 T123 | Y115-E119 WeakPolarHBondContact O-CB 3.3Å; Y115-E119 PolarHBondContact O-N 3.48Å; E119-E122 PolarHBondContact O-N 3.37Å; E119-T123 WeakPolarHBondContact O-CB 3.23Å; E119-T123 PolarHBondContact O-N 3.49Å; E119-T123 PolarHBondContact O-OG1 3.27Å |
| 120 | K | 52.2 | Low | 51.3 | Low | 149 Ų | 149 | 116.3 Ų | 116.3 | 65% | 0.648 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -69.2 | -38.8 | 178.4 | -166.1 | 175.1 | -176.3 | -175.7 | 0 | 112 | Q116 L117 A118 T123 L124 | Q116-K120 VanDerWaalsContact O-CB 3.25Å; Q116-K120 WeakPolarHBondContact O-CB 3.17Å; Q116-K120 PolarHBondContact O-N 3.3Å; Q116-K120 VanDerWaalsContact O-N 3.14Å; L117-K120 PolarHBondContact O-N 2.88Å; A118-K120 PolarHBondContact O-N 2.97Å; K120-T123 PolarHBondContact O-N 3.13Å; K120-L124 WeakPolarHBondContact O-CB 3.2Å; K120-L124 PolarHBondContact O-N 3.39Å |
| 121 | I | 57.9 | Low | 51.3 | Low | 84 Ų | 84 | 111.3 Ų | 111.3 | 43% | 0.431 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -65.1 | -41.6 | 174.8 | -70.7 | 168 | 0 | 0 | 0 | 110.6 | L117 A118 L124 R125 | L117-I121 HydrophobicContact CD1-CD1 4.37Å; L117-I121 HydrophobicContact CG-CD1 3.91Å; L117-I121 WeakPolarHBondContact O-CB 3.42Å; L117-I121 WeakPolarHBondContact O-CG1 3.48Å; L117-I121 PolarHBondContact O-N 3.11Å; A118-I121 PolarHBondContact O-N 2.94Å; I121-L124 PolarHBondContact O-N 3.37Å; I121-R125 VanDerWaalsContact O-CB 3.31Å; I121-R125 WeakPolarHBondContact O-CB 3.48Å; I121-R125 PolarHBondContact O-N 3.48Å |
| 122 | E | 55.3 | Low | 51.5 | Low | 88 Ų | 88 | 114.1 Ų | 114.1 | 41% | 0.411 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -65.4 | -39.5 | 175.2 | -75.4 | -173.9 | -169.7 | 0 | 0 | 112.9 | A118 E119 R125 R126 | A118-E122 WeakPolarHBondContact O-CG 3.43Å; A118-E122 PolarHBondContact O-N 2.83Å; E119-E122 PolarHBondContact O-N 3.37Å; E122-R125 PolarHBondContact O-N 2.93Å; E122-R126 WeakPolarHBondContact O-CB 3.26Å; E122-R126 VanDerWaalsContact O-CG 3.31Å; E122-R126 WeakPolarHBondContact O-CG 3.36Å; E122-R126 PolarHBondContact O-N 3.42Å; E122-R126 IonicContact OE2-NH2 2.95Å; E122-R126 PolarHBondContact OE2-NH2 2.92Å |
| 123 | T | 61.3 | Low | 51.5 | Low | 53 Ų | 53 | 116.2 Ų | 116.2 | 33% | 0.325 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -66.8 | -40.5 | 177.1 | -56.6 | 0 | 0 | 0 | 0 | 111 | E119 K120 R126 K127 | E119-T123 WeakPolarHBondContact O-CB 3.23Å; E119-T123 PolarHBondContact O-N 3.49Å; E119-T123 PolarHBondContact O-OG1 3.27Å; K120-T123 PolarHBondContact O-N 3.13Å; T123-R126 PolarHBondContact O-N 2.81Å; T123-K127 WeakPolarHBondContact O-CB 3.49Å; T123-K127 WeakPolarHBondContact O-CG 3.38Å; T123-K127 PolarHBondContact O-N 2.9Å |
| 124 | L | 57.8 | Low | 51.3 | Low | 122 Ų | 122 | 121 Ų | 121 | 64% | 0.639 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -63.3 | -42.8 | 173.3 | -162.6 | 83.9 | 0 | 0 | 0 | 110.8 | K120 I121 R126 K127 L128 | K120-L124 WeakPolarHBondContact O-CB 3.2Å; K120-L124 PolarHBondContact O-N 3.39Å; I121-L124 PolarHBondContact O-N 3.37Å; L124-R126 PolarHBondContact O-N 3.38Å; L124-K127 PolarHBondContact O-N 2.97Å; L124-L128 VanDerWaalsContact O-CB 3.3Å; L124-L128 WeakPolarHBondContact O-CB 3.22Å; L124-L128 PolarHBondContact O-N 3.42Å |
| 125 | R | 59.9 | Low | 51.3 | Low | 131 Ų | 131 | 119.2 Ų | 119.2 | 49% | 0.494 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -64.7 | -38 | 176.1 | -171.1 | -174 | -74.3 | 144.1 | -9 | 112.2 | I121 E122 R129 | I121-R125 VanDerWaalsContact O-CB 3.31Å; I121-R125 WeakPolarHBondContact O-CB 3.48Å; I121-R125 PolarHBondContact O-N 3.48Å; E122-R125 PolarHBondContact O-N 2.93Å; R125-R129 WeakPolarHBondContact O-CB 3.29Å; R125-R129 WeakPolarHBondContact O-CG 3.18Å; R125-R129 PolarHBondContact O-N 3.42Å |
| 126 | R | 57.7 | Low | 51.3 | Low | 146 Ų | 146 | 118.9 Ų | 118.9 | 55% | 0.551 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -68.9 | -42.1 | 174.5 | -74.4 | -178.6 | -127.8 | 159.2 | 1.9 | 111.2 | E122 T123 L124 R129 A130 | E122-R126 WeakPolarHBondContact O-CB 3.26Å; E122-R126 VanDerWaalsContact O-CG 3.31Å; E122-R126 WeakPolarHBondContact O-CG 3.36Å; E122-R126 PolarHBondContact O-N 3.42Å; E122-R126 IonicContact OE2-NH2 2.95Å; E122-R126 PolarHBondContact OE2-NH2 2.92Å; T123-R126 PolarHBondContact O-N 2.81Å; L124-R126 PolarHBondContact O-N 3.38Å; R126-R129 PolarHBondContact O-N 3.21Å; R126-A130 WeakPolarHBondContact O-CB 3.48Å; R126-A130 PolarHBondContact O-N 3.43Å |
| 127 | K | 54.9 | Low | 51.2 | Low | 127 Ų | 127 | 117.1 Ų | 117.1 | 55% | 0.552 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -64.5 | -41.4 | 174.5 | -80.3 | -175.6 | 175.7 | -178.2 | 0 | 112.3 | T123 L124 A130 M131 | T123-K127 WeakPolarHBondContact O-CB 3.49Å; T123-K127 WeakPolarHBondContact O-CG 3.38Å; T123-K127 PolarHBondContact O-N 2.9Å; L124-K127 PolarHBondContact O-N 2.97Å; K127-A130 PolarHBondContact O-N 3.49Å; K127-M131 HydrophobicContact CB-CE 3.93Å; K127-M131 WeakPolarHBondContact O-CB 3.25Å; K127-M131 WeakPolarHBondContact O-CE 3.42Å; K127-M131 WeakPolarHBondContact O-CG 3.44Å; K127-M131 PolarHBondContact O-N 3.43Å |
| 128 | L | 52.9 | Low | 51 | Low | 109 Ų | 109 | 117.5 Ų | 117.5 | 57% | 0.571 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -63.3 | -44.4 | 175.4 | -168 | 70.9 | 0 | 0 | 0 | 110.5 | L124 A130 M131 T132 | L124-L128 VanDerWaalsContact O-CB 3.3Å; L124-L128 WeakPolarHBondContact O-CB 3.22Å; L124-L128 PolarHBondContact O-N 3.42Å; L128-A130 VanDerWaalsContact C-N 3.33Å; L128-A130 PolarHBondContact O-N 2.77Å; L128-M131 CarbonylContact O-C 3.55Å; L128-M131 PolarHBondContact O-N 2.9Å; L128-M131 VanDerWaalsContact O-N 3.11Å; L128-T132 WeakPolarHBondContact O-CG2 3.37Å; L128-T132 PolarHBondContact O-N 2.93Å; L128-T132 PolarHBondContact O-OG1 3.06Å |
| 129 | R | 51.1 | Low | 50.9 | Low | 149 Ų | 149 | 117.8 Ų | 117.8 | 56% | 0.562 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -61.9 | -37.5 | 173.9 | -80 | -169.2 | -93.7 | -141.9 | 7.3 | 113.4 | R125 R126 M131 T132 L133 | R125-R129 WeakPolarHBondContact O-CB 3.29Å; R125-R129 WeakPolarHBondContact O-CG 3.18Å; R125-R129 PolarHBondContact O-N 3.42Å; R126-R129 PolarHBondContact O-N 3.21Å; R129-M131 VanDerWaalsContact C-N 3.32Å; R129-T132 VanDerWaalsContact CA-OG1 3.29Å; R129-T132 WeakPolarHBondContact CA-OG1 3.16Å; R129-T132 PolarHBondContact O-OG1 2.93Å; R129-L133 WeakPolarHBondContact O-CD1 3.14Å; R129-L133 PolarHBondContact O-N 3.31Å |
| 130 | A | 54.1 | Low | 50.9 | Low | 61 Ų | 61 | 117.7 Ų | 117.7 | 50% | 0.504 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -71 | -27.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | R126 K127 L128 | R126-A130 WeakPolarHBondContact O-CB 3.48Å; R126-A130 PolarHBondContact O-N 3.43Å; K127-A130 PolarHBondContact O-N 3.49Å; L128-A130 VanDerWaalsContact C-N 3.33Å; L128-A130 PolarHBondContact O-N 2.77Å |
| 131 | M | 44.9 | Very low | 51.2 | Low | 127 Ų | 127 | 117.5 Ų | 117.5 | 63% | 0.626 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -80.4 | -34.2 | 173.6 | -77.4 | -177.4 | -95.7 | 0 | 0 | 112.4 | K127 L128 R129 L133 R134 | K127-M131 HydrophobicContact CB-CE 3.93Å; K127-M131 WeakPolarHBondContact O-CB 3.25Å; K127-M131 WeakPolarHBondContact O-CE 3.42Å; K127-M131 WeakPolarHBondContact O-CG 3.44Å; K127-M131 PolarHBondContact O-N 3.43Å; L128-M131 CarbonylContact O-C 3.55Å; L128-M131 PolarHBondContact O-N 2.9Å; L128-M131 VanDerWaalsContact O-N 3.11Å; R129-M131 VanDerWaalsContact C-N 3.32Å; M131-L133 VanDerWaalsContact C-N 3.29Å; M131-L133 PolarHBondContact O-N 2.92Å; M131-R134 PolarHBondContact O-N 3.33Å |
| 132 | T | 48.5 | Very low | 51.1 | Low | 103 Ų | 103 | 119 Ų | 119 | 63% | 0.632 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -73.5 | -18.4 | 175.1 | 52.9 | 0 | 0 | 0 | 0 | 113.6 | L128 R129 | L128-T132 WeakPolarHBondContact O-CG2 3.37Å; L128-T132 PolarHBondContact O-N 2.93Å; L128-T132 PolarHBondContact O-OG1 3.06Å; R129-T132 VanDerWaalsContact CA-OG1 3.29Å; R129-T132 WeakPolarHBondContact CA-OG1 3.16Å; R129-T132 PolarHBondContact O-OG1 2.93Å |
| 133 | L | 44.7 | Very low | 51.1 | Low | 146 Ų | 146 | 117.4 Ų | 117.4 | 76% | 0.764 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.1 | 4.7 | 173.8 | -100.1 | 103.9 | 0 | 0 | 0 | 113.9 | R129 M131 P135 | R129-L133 WeakPolarHBondContact O-CD1 3.14Å; R129-L133 PolarHBondContact O-N 3.31Å; M131-L133 VanDerWaalsContact C-N 3.29Å; M131-L133 PolarHBondContact O-N 2.92Å; L133-P135 WeakPolarHBondContact O-CD 3.23Å |
| 134 | R | 41 | Very low | 51.1 | Low | 199 Ų | 199 | 118.4 Ų | 118.4 | 75% | 0.751 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -73.4 | 120.7 | 172.2 | -78.7 | -75.6 | 175.2 | 149.9 | -2.1 | 108.6 | M131 K136 | M131-R134 PolarHBondContact O-N 3.33Å; R134-K136 PolarHBondContact O-N 2.83Å |
| 135 | P | 41.8 | Very low | 51.1 | Low | 113 Ų | 113 | 115.1 Ų | 115.1 | 73% | 0.734 | 60% | 0.596 | S | S | * | * | trans | -58.2 | 134 | 170.5 | 19.2 | -23.6 | 0 | 0 | 0 | 108.3 | L133 P137 | L133-P135 WeakPolarHBondContact O-CD 3.23Å; P135-P137 VanDerWaalsContact O-N 3.13Å | ||
| 136 | K | 41.3 | Very low | 51 | Low | 178 Ų | 178 | 111.3 Ų | 111.3 | 77% | 0.774 | 59% | 0.59 | S | S | * | * | trans | -38.8 | 116.2 | 175 | -172.3 | 162.6 | 177.7 | 166.7 | 0 | 108.8 | R134 | R134-K136 PolarHBondContact O-N 2.83Š| ||
| 137 | P | 43.4 | Very low | 51 | Low | 102 Ų | 102 | 113.1 Ų | 113.1 | 66% | 0.662 | 60% | 0.597 | S | S | * | * | trans | -59.6 | 137.8 | 175.3 | 24.5 | -31.1 | 0 | 0 | 0 | 107.4 | P135 S139 | P135-P137 VanDerWaalsContact O-N 3.13Å; P137-S139 PolarHBondContact O-N 3.26Å | ||
| 138 | P | 45.3 | Very low | 51 | Low | 113 Ų | 113 | 110.2 Ų | 110.2 | 73% | 0.734 | 59% | 0.592 | S | S | * | * | trans | -54.7 | 111.9 | 176.9 | 23.2 | -32.2 | 0 | 0 | 0 | 107 | V140 | P138-V140 PolarHBondContact O-N 3.49Š| ||
| 139 | S | 49.3 | Very low | 51.3 | Low | 51 Ų | 51 | 110 Ų | 110 | 36% | 0.357 | 59% | 0.591 | S | S | . | * | trans | -67.6 | 133.3 | -169.9 | 179.3 | 0 | 0 | 0 | 0 | 107.3 | P137 M141 E142 | P137-S139 PolarHBondContact O-N 3.26Å; S139-M141 PolarHBondContact O-N 2.96Å; S139-M141 WeakPolarHBondContact OG-CB 3.45Å; S139-M141 PolarHBondContact OG-N 3.16Å; S139-E142 WeakPolarHBondContact O-CB 3.38Å; S139-E142 PolarHBondContact O-N 3.48Å | ||
| 140 | V | 54.2 | Low | 51.5 | Low | 120 Ų | 120 | 107.9 Ų | 107.9 | 73% | 0.727 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -50.2 | -25.1 | 169.8 | -177.2 | 0 | 0 | 0 | 0 | 110.8 | P138 E142 A143 V144 | P138-V140 PolarHBondContact O-N 3.49Å; V140-E142 PolarHBondContact O-N 3.04Å; V140-A143 PolarHBondContact O-N 3.21Å; V140-V144 HydrophobicContact CG1-CG2 4.44Å; V140-V144 VanDerWaalsContact O-CG2 3.3Å; V140-V144 WeakPolarHBondContact O-CG2 3.07Å; V140-V144 PolarHBondContact O-N 3.45Å |
| 141 | M | 57.5 | Low | 51.8 | Low | 145 Ų | 145 | 110 Ų | 110 | 71% | 0.714 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -59 | -37.6 | 170.7 | -159.1 | 86.2 | -173.1 | 0 | 0 | 114 | S139 S145 | S139-M141 PolarHBondContact O-N 2.96Å; S139-M141 WeakPolarHBondContact OG-CB 3.45Å; S139-M141 PolarHBondContact OG-N 3.16Å; M141-S145 VanDerWaalsContact O-CB 3.24Å; M141-S145 WeakPolarHBondContact O-CB 3.34Å; M141-S145 PolarHBondContact O-N 3.33Å; M141-S145 PolarHBondContact O-OG 2.9Å |
| 142 | E | 55.8 | Low | 52.5 | Low | 115 Ų | 115 | 108.7 Ų | 108.7 | 54% | 0.537 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -70.6 | -40.3 | 178.7 | -76.4 | 174.4 | -178.9 | 0 | 0 | 111.1 | S139 V140 S145 S146 | S139-E142 WeakPolarHBondContact O-CB 3.38Å; S139-E142 PolarHBondContact O-N 3.48Å; V140-E142 PolarHBondContact O-N 3.04Å; E142-S145 WeakPolarHBondContact CA-OG 3.42Å; E142-S145 PolarHBondContact O-N 2.7Å; E142-S145 PolarHBondContact O-OG 3.09Å; E142-S146 PolarHBondContact O-N 2.93Å; E142-S146 PolarHBondContact O-OG 3.5Å |
| 143 | A | 56.3 | Low | 52.7 | Low | 55 Ų | 55 | 107.4 Ų | 107.4 | 46% | 0.455 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -67.7 | -37.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | V140 S146 W147 | V140-A143 PolarHBondContact O-N 3.21Å; A143-S146 PolarHBondContact O-OG 3.26Å; A143-W147 WeakPolarHBondContact O-CB 3.47Å; A143-W147 VanDerWaalsContact O-CD1 3.26Å; A143-W147 PolarHBondContact O-N 3.22Å; A143-W147 VanDerWaalsContact O-N 3.1Å |
| 144 | V | 61.4 | Low | 52.9 | Low | 75 Ų | 75 | 103.6 Ų | 103.6 | 46% | 0.455 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -69.1 | -38 | 172.7 | 173.4 | 0 | 0 | 0 | 0 | 110.4 | V140 W147 C148 | V140-V144 HydrophobicContact CG1-CG2 4.44Å; V140-V144 VanDerWaalsContact O-CG2 3.3Å; V140-V144 WeakPolarHBondContact O-CG2 3.07Å; V140-V144 PolarHBondContact O-N 3.45Å; V144-W147 PolarHBondContact O-N 2.84Å; V144-C148 WeakPolarHBondContact O-CB 3.4Å; V144-C148 PolarHBondContact O-N 2.77Å; V144-C148 PolarHBondContact O-SG 2.91Å |
| 145 | S | 57.6 | Low | 53.1 | Low | 53 Ų | 53 | 95.9 Ų | 95.9 | 37% | 0.371 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -69.2 | -34.7 | 177.4 | 74.6 | 0 | 0 | 0 | 0 | 113.2 | M141 E142 C148 N149 | M141-S145 VanDerWaalsContact O-CB 3.24Å; M141-S145 WeakPolarHBondContact O-CB 3.34Å; M141-S145 PolarHBondContact O-N 3.33Å; M141-S145 PolarHBondContact O-OG 2.9Å; E142-S145 WeakPolarHBondContact CA-OG 3.42Å; E142-S145 PolarHBondContact O-N 2.7Å; E142-S145 PolarHBondContact O-OG 3.09Å; S145-C148 PolarHBondContact O-N 3.34Å; S145-N149 WeakPolarHBondContact O-CB 3.24Å; S145-N149 PolarHBondContact O-N 2.79Å; S145-N149 PolarHBondContact O-ND2 2.87Å |
| 146 | S | 56.8 | Low | 53.3 | Low | 51 Ų | 51 | 97.6 Ų | 97.6 | 36% | 0.357 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -69 | -43.2 | 174 | 64.4 | 0 | 0 | 0 | 0 | 110.7 | E142 A143 C148 N149 D150 | E142-S146 PolarHBondContact O-N 2.93Å; E142-S146 PolarHBondContact O-OG 3.5Å; A143-S146 PolarHBondContact O-OG 3.26Å; S146-C148 PolarHBondContact O-N 3.37Å; S146-N149 PolarHBondContact O-N 3.45Å; S146-D150 WeakPolarHBondContact O-CB 3.18Å; S146-D150 VanDerWaalsContact O-CG 3.22Å; S146-D150 PolarHBondContact O-N 3.23Å |
| 147 | W | 58.2 | Low | 53.4 | Low | 184 Ų | 184 | 93.5 Ų | 93.5 | 70% | 0.697 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -62.3 | -40.3 | 173.7 | -85.3 | 48.6 | 0 | 0 | 0 | 112.6 | A143 V144 D150 I151 | A143-W147 WeakPolarHBondContact O-CB 3.47Å; A143-W147 VanDerWaalsContact O-CD1 3.26Å; A143-W147 PolarHBondContact O-N 3.22Å; A143-W147 VanDerWaalsContact O-N 3.1Å; V144-W147 PolarHBondContact O-N 2.84Å; W147-D150 PolarHBondContact O-N 3.45Å; W147-I151 WeakPolarHBondContact O-CB 3.11Å; W147-I151 WeakPolarHBondContact O-CD1 3.45Å; W147-I151 WeakPolarHBondContact O-CG1 3.3Å; W147-I151 PolarHBondContact O-N 2.92Å |
| 148 | C | 55.9 | Low | 53.4 | Low | 65 Ų | 65 | 96 Ų | 96 | 44% | 0.439 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -66.2 | -39.9 | 175.3 | -73.9 | 0 | 0 | 0 | 0 | 111.9 | V144 S145 S146 I151 V152 | V144-C148 WeakPolarHBondContact O-CB 3.4Å; V144-C148 PolarHBondContact O-N 2.77Å; V144-C148 PolarHBondContact O-SG 2.91Å; S145-C148 PolarHBondContact O-N 3.34Å; S146-C148 PolarHBondContact O-N 3.37Å; C148-I151 PolarHBondContact O-N 3.11Å; C148-V152 VanDerWaalsContact O-CB 3.26Å; C148-V152 WeakPolarHBondContact O-CB 3.32Å; C148-V152 WeakPolarHBondContact O-CG2 3.24Å; C148-V152 PolarHBondContact O-N 3.05Å |
| 149 | N | 58.9 | Low | 53.1 | Low | 106 Ų | 106 | 97.2 Ų | 97.2 | 57% | 0.567 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -66 | -38.4 | 174.6 | -81.2 | -49.4 | 0 | 0 | 0 | 111.9 | S145 S146 S153 | S145-N149 WeakPolarHBondContact O-CB 3.24Å; S145-N149 PolarHBondContact O-N 2.79Å; S145-N149 PolarHBondContact O-ND2 2.87Å; S146-N149 PolarHBondContact O-N 3.45Å; N149-S153 WeakPolarHBondContact O-CB 3.46Å; N149-S153 PolarHBondContact O-N 2.79Å |
| 150 | D | 54.8 | Low | 52.8 | Low | 103 Ų | 103 | 99 Ų | 99 | 55% | 0.551 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -69.2 | -36.8 | 177.2 | -68.3 | -22.4 | 0 | 0 | 0 | 111.9 | S146 W147 S154 | S146-D150 WeakPolarHBondContact O-CB 3.18Å; S146-D150 VanDerWaalsContact O-CG 3.22Å; S146-D150 PolarHBondContact O-N 3.23Å; W147-D150 PolarHBondContact O-N 3.45Å; D150-S154 WeakPolarHBondContact O-CB 3.38Å; D150-S154 PolarHBondContact O-N 3.41Å; D150-S154 PolarHBondContact O-OG 3.18Å |
| 151 | I | 60.1 | Low | 52.2 | Low | 107 Ų | 107 | 97.4 Ų | 97.4 | 55% | 0.549 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -73.1 | -40.2 | 175.7 | -68 | 164.9 | 0 | 0 | 0 | 111.3 | W147 C148 S154 A155 | W147-I151 WeakPolarHBondContact O-CB 3.11Å; W147-I151 WeakPolarHBondContact O-CD1 3.45Å; W147-I151 WeakPolarHBondContact O-CG1 3.3Å; W147-I151 PolarHBondContact O-N 2.92Å; C148-I151 PolarHBondContact O-N 3.11Å; I151-S154 CarbonylContact O-C 3.59Å; I151-S154 PolarHBondContact O-N 3.49Å; I151-A155 VanDerWaalsContact O-CB 3.27Å; I151-A155 WeakPolarHBondContact O-CB 3.47Å; I151-A155 PolarHBondContact O-N 2.8Å |
| 152 | V | 59.7 | Low | 51.7 | Low | 99 Ų | 99 | 94 Ų | 94 | 60% | 0.6 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -67.8 | -41.9 | 176 | 167.7 | 0 | 0 | 0 | 0 | 110.9 | C148 S154 A155 Q156 | C148-V152 VanDerWaalsContact O-CB 3.26Å; C148-V152 WeakPolarHBondContact O-CB 3.32Å; C148-V152 WeakPolarHBondContact O-CG2 3.24Å; C148-V152 PolarHBondContact O-N 3.05Å; V152-S154 VanDerWaalsContact C-N 3.32Å; V152-S154 PolarHBondContact O-N 2.87Å; V152-A155 PolarHBondContact O-N 3.31Å; V152-Q156 PolarHBondContact O-N 2.88Å |
| 153 | S | 53.2 | Low | 51.1 | Low | 75 Ų | 75 | 97.1 Ų | 97.1 | 52% | 0.524 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61.7 | -40 | 171.9 | -176.8 | 0 | 0 | 0 | 0 | 111.4 | N149 Q156 | N149-S153 WeakPolarHBondContact O-CB 3.46Å; N149-S153 PolarHBondContact O-N 2.79Å; S153-Q156 WeakPolarHBondContact O-CB 3.39Å; S153-Q156 PolarHBondContact O-N 2.98Å |
| 154 | S | 47.7 | Very low | 50.6 | Low | 66 Ų | 66 | 97.5 Ų | 97.5 | 46% | 0.462 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -70.4 | -35.2 | 174.6 | -61.6 | 0 | 0 | 0 | 0 | 112.8 | D150 I151 V152 S157 F158 | D150-S154 WeakPolarHBondContact O-CB 3.38Å; D150-S154 PolarHBondContact O-N 3.41Å; D150-S154 PolarHBondContact O-OG 3.18Å; I151-S154 CarbonylContact O-C 3.59Å; I151-S154 PolarHBondContact O-N 3.49Å; V152-S154 VanDerWaalsContact C-N 3.32Å; V152-S154 PolarHBondContact O-N 2.87Å; S154-S157 WeakPolarHBondContact O-CB 3.19Å; S154-S157 PolarHBondContact O-N 3.27Å; S154-S157 VanDerWaalsContact O-N 3.16Å; S154-F158 VanDerWaalsContact O-CD2 3.22Å; S154-F158 WeakPolarHBondContact O-CD2 3.24Å; S154-F158 PolarHBondContact O-N 2.84Å |
| 155 | A | 45.7 | Very low | 49.6 | Very low | 37 Ų | 37 | 99.8 Ų | 99.8 | 31% | 0.306 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -71.4 | -29.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | I151 V152 S157 F158 I159 | I151-A155 VanDerWaalsContact O-CB 3.27Å; I151-A155 WeakPolarHBondContact O-CB 3.47Å; I151-A155 PolarHBondContact O-N 2.8Å; V152-A155 PolarHBondContact O-N 3.31Å; A155-S157 PolarHBondContact O-N 3.04Å; A155-F158 PolarHBondContact O-N 2.82Å; A155-I159 HydrophobicContact CB-CD1 4.44Å; A155-I159 WeakPolarHBondContact O-CD1 3.42Å; A155-I159 VanDerWaalsContact O-CG1 3.29Å; A155-I159 WeakPolarHBondContact O-CG1 3.36Å; A155-I159 PolarHBondContact O-N 3.23Å |
| 156 | Q | 46.2 | Very low | 48.8 | Very low | 149 Ų | 149 | 104.5 Ų | 104.5 | 70% | 0.696 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -58.5 | -31.2 | 169.4 | -165 | -178.3 | -1.9 | 0 | 0 | 111.6 | V152 S153 | V152-Q156 PolarHBondContact O-N 2.88Å; S153-Q156 WeakPolarHBondContact O-CB 3.39Å; S153-Q156 PolarHBondContact O-N 2.98Å |
| 157 | S | 42.4 | Very low | 48.6 | Very low | 92 Ų | 92 | 107 Ų | 107 | 64% | 0.643 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.5 | -18.4 | 173.4 | -169.8 | 0 | 0 | 0 | 0 | 114.2 | S154 A155 | S154-S157 WeakPolarHBondContact O-CB 3.19Å; S154-S157 PolarHBondContact O-N 3.27Å; S154-S157 VanDerWaalsContact O-N 3.16Å; A155-S157 PolarHBondContact O-N 3.04Å |
| 158 | F | 44.4 | Very low | 48 | Very low | 155 Ų | 155 | 105 Ų | 105 | 68% | 0.68 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102 | -19.4 | -179.6 | -74.4 | -69.3 | 0 | 0 | 0 | 114.1 | S154 A155 S160 S161 | S154-F158 VanDerWaalsContact O-CD2 3.22Å; S154-F158 WeakPolarHBondContact O-CD2 3.24Å; S154-F158 PolarHBondContact O-N 2.84Å; A155-F158 PolarHBondContact O-N 2.82Å; F158-S160 VanDerWaalsContact C-N 3.27Å; F158-S161 PolarHBondContact O-OG 3.43Å |
| 159 | I | 39.5 | Very low | 48 | Very low | 139 Ų | 139 | 104.6 Ų | 104.6 | 71% | 0.713 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | -12.5 | 174.7 | -62.5 | 160.7 | 0 | 0 | 0 | 111.8 | A155 S161 | A155-I159 HydrophobicContact CB-CD1 4.44Å; A155-I159 WeakPolarHBondContact O-CD1 3.42Å; A155-I159 VanDerWaalsContact O-CG1 3.29Å; A155-I159 WeakPolarHBondContact O-CG1 3.36Å; A155-I159 PolarHBondContact O-N 3.23Å; I159-S161 PolarHBondContact O-N 2.92Å |
| 160 | S | 42.7 | Very low | 47.6 | Very low | 87 Ų | 87 | 108.3 Ų | 108.3 | 61% | 0.608 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.2 | 21.8 | 167.6 | -171.6 | 0 | 0 | 0 | 0 | 113.6 | F158 T162 | F158-S160 VanDerWaalsContact C-N 3.27Å; S160-T162 VanDerWaalsContact C-N 3.34Å; S160-T162 PolarHBondContact O-N 3.44Å |
| 161 | S | 42 | Very low | 47.8 | Very low | 88 Ų | 88 | 109 Ų | 109 | 62% | 0.615 | 59% | 0.588 | S | S | * | * | trans | -74 | 90.5 | 175 | -68.6 | 0 | 0 | 0 | 0 | 109.3 | F158 I159 W163 | F158-S161 PolarHBondContact O-OG 3.43Å; I159-S161 PolarHBondContact O-N 2.92Å; S161-W163 PolarHBondContact O-N 3.49Å | ||
| 162 | T | 46.5 | Very low | 47.5 | Very low | 73 Ų | 73 | 106.8 Ų | 106.8 | 45% | 0.448 | 59% | 0.591 | S | S | . | * | trans | -63.7 | 102.9 | 164.5 | -51.1 | 0 | 0 | 0 | 0 | 106.5 | S160 T164 | S160-T162 VanDerWaalsContact C-N 3.34Å; S160-T162 PolarHBondContact O-N 3.44Å; T162-T164 HydrophobicContact CG2-CG2 4.28Å; T162-T164 PolarHBondContact O-N 2.91Å | ||
| 163 | W | 43.4 | Very low | 46.8 | Very low | 181 Ų | 181 | 109 Ų | 109 | 69% | 0.686 | 59% | 0.592 | S | S | * | * | trans | -81.9 | 118.3 | 175.3 | 60.4 | -81.3 | 0 | 0 | 0 | 107.8 | S161 | S161-W163 PolarHBondContact O-N 3.49Š| ||
| 164 | T | 45.6 | Very low | 46.5 | Very low | 63 Ų | 63 | 108.9 Ų | 108.9 | 39% | 0.387 | 59% | 0.588 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -112.2 | 122.5 | 172.8 | 46.7 | 0 | 0 | 0 | 0 | 107.8 | T162 | T162-T164 HydrophobicContact CG2-CG2 4.28Å; T162-T164 PolarHBondContact O-N 2.91Å |
| 165 | F | 40.1 | Very low | 46.7 | Very low | 123 Ų | 123 | 109 Ų | 109 | 54% | 0.539 | 59% | 0.586 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -111.7 | 128.8 | 176.4 | -163.3 | -81.9 | 0 | 0 | 0 | 109.4 | L167 | F165-L167 HydrophobicContact CD1-CD1 4.3Å; F165-L167 HydrophobicContact CD1-CD2 4.25Å; F165-L167 HydrophobicContact CD1-CG 3.69Å; F165-L167 HydrophobicContact CE1-CD1 4.48Å; F165-L167 HydrophobicContact CE1-CD2 3.65Å; F165-L167 HydrophobicContact CE1-CG 3.61Å |
| 166 | Y | 41.1 | Very low | 46.8 | Very low | 151 Ų | 151 | 111 Ų | 111 | 59% | 0.592 | 59% | 0.594 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -97.3 | 105.9 | 176.6 | -62.7 | -87.9 | 0 | 0 | 0 | 108.5 | V174 V176 | Y166-V174 HydrophobicContact CD1-CG1 3.98Å; Y166-V176 HydrophobicContact CD1-CG2 3.97Å; Y166-V176 HydrophobicContact CE1-CG1 4.29Å; Y166-V176 HydrophobicContact CE1-CG2 3.81Å |
| 167 | L | 53.1 | Low | 47.1 | Very low | 103 Ų | 103 | 109.9 Ų | 109.9 | 54% | 0.539 | 59% | 0.587 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -92.8 | 114 | 167.6 | -79.5 | 157.4 | 0 | 0 | 0 | 107.6 | F165 V175 | F165-L167 HydrophobicContact CD1-CD1 4.3Å; F165-L167 HydrophobicContact CD1-CD2 4.25Å; F165-L167 HydrophobicContact CD1-CG 3.69Å; F165-L167 HydrophobicContact CE1-CD1 4.48Å; F165-L167 HydrophobicContact CE1-CD2 3.65Å; F165-L167 HydrophobicContact CE1-CG 3.61Å; L167-V175 PolarHBondContact O-N 2.96Å |
| 168 | Q | 44.9 | Very low | 47 | Very low | 143 Ų | 143 | 111.7 Ų | 111.7 | 67% | 0.668 | 59% | 0.586 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -95.9 | 108.6 | 167.3 | -164.9 | 169.2 | 32.3 | 0 | 0 | 106.5 | V174 | Q168-V174 HydrophobicContact CG-CG2 4.25Å |
| 169 | A | 55.1 | Low | 47.4 | Very low | 57 Ų | 57 | 106.6 Ų | 106.6 | 47% | 0.471 | 57% | 0.569 | S | S | . | * | trans | -79.3 | 156.3 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | D171 G172 | A169-D171 WeakPolarHBondContact CB-OD1 3.42Å; A169-D171 PolarHBondContact O-N 3.39Å; A169-G172 PolarHBondContact O-N 2.87Å; A169-G172 VanDerWaalsContact O-N 3.13Å | ||
| 170 | D | 51.6 | Low | 47.3 | Very low | 184 Ų | 184 | 107.5 Ų | 107.5 | 98% | 0.984 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.3 | 4.3 | -172.4 | -61.3 | -42.9 | 0 | 0 | 0 | 115 | ||
| 171 | D | 58.8 | Low | 47.2 | Very low | 118 Ų | 118 | 108.2 Ų | 108.2 | 63% | 0.631 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.6 | 4.7 | 175.9 | 65.7 | -12.3 | 0 | 0 | 0 | 113.7 | A169 K173 | A169-D171 WeakPolarHBondContact CB-OD1 3.42Å; A169-D171 PolarHBondContact O-N 3.39Å; D171-K173 PolarHBondContact O-N 3.1Å; D171-K173 PolarHBondContact OD1-N 3.4Å |
| 172 | G | 53 | Low | 46.8 | Very low | 59 Ų | 59 | 113.2 Ų | 113.2 | 61% | 0.608 | 59% | 0.586 | S | S | * | * | S | Bend | trans | 76 | 7.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | A169 | A169-G172 PolarHBondContact O-N 2.87Å; A169-G172 VanDerWaalsContact O-N 3.13Å |
| 173 | K | 44.8 | Very low | 46.7 | Very low | 146 Ų | 146 | 116.4 Ų | 116.4 | 64% | 0.635 | 60% | 0.598 | S | S | * | * | P | Polyproline II helix | trans | -96.3 | 119.1 | 176.9 | -166.2 | 177.5 | 179.4 | -175.6 | 0 | 110.3 | D171 | D171-K173 PolarHBondContact O-N 3.1Å; D171-K173 PolarHBondContact OD1-N 3.4Å |
| 174 | V | 48.4 | Very low | 46 | Very low | 73 Ų | 73 | 116.6 Ų | 116.6 | 44% | 0.442 | 61% | 0.606 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -88.5 | 121.3 | 176.6 | -178.3 | 0 | 0 | 0 | 0 | 109 | Y166 Q168 V176 | Y166-V174 HydrophobicContact CD1-CG1 3.98Å; Q168-V174 HydrophobicContact CG-CG2 4.25Å; V174-V176 HydrophobicContact CG1-CG2 4.27Å |
| 175 | V | 51.9 | Low | 45.6 | Very low | 67 Ų | 67 | 122 Ų | 122 | 41% | 0.406 | 62% | 0.621 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -102.5 | 120.2 | 172.4 | -172.7 | 0 | 0 | 0 | 0 | 108.4 | L167 F177 | L167-V175 PolarHBondContact O-N 2.96Å; V175-F177 HydrophobicContact CB-CE2 4.01Å; V175-F177 HydrophobicContact CG1-CD2 4.04Å; V175-F177 HydrophobicContact CG1-CE1 4.28Å; V175-F177 HydrophobicContact CG1-CE2 3.4Å; V175-F177 HydrophobicContact CG1-CZ 3.55Å |
| 176 | V | 48.3 | Very low | 45.2 | Very low | 80 Ų | 80 | 121.4 Ų | 121.4 | 49% | 0.485 | 63% | 0.632 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -98.5 | 113.2 | 178.9 | -176 | 0 | 0 | 0 | 0 | 108.6 | Y166 V174 | Y166-V176 HydrophobicContact CD1-CG2 3.97Å; Y166-V176 HydrophobicContact CE1-CG1 4.29Å; Y166-V176 HydrophobicContact CE1-CG2 3.81Å; V174-V176 HydrophobicContact CG1-CG2 4.27Å |
| 177 | F | 51 | Low | 44.6 | Very low | 125 Ų | 125 | 120.6 Ų | 120.6 | 55% | 0.548 | 64% | 0.636 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -94.9 | 109.9 | 170.2 | -66.2 | -83.9 | 0 | 0 | 0 | 108.6 | V175 | V175-F177 HydrophobicContact CB-CE2 4.01Å; V175-F177 HydrophobicContact CG1-CD2 4.04Å; V175-F177 HydrophobicContact CG1-CE1 4.28Å; V175-F177 HydrophobicContact CG1-CE2 3.4Å; V175-F177 HydrophobicContact CG1-CZ 3.55Å |
| 178 | Q | 40.2 | Very low | 43.9 | Very low | 131 Ų | 131 | 121.2 Ų | 121.2 | 61% | 0.612 | 65% | 0.645 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -106.6 | 109.9 | 176.9 | -177.5 | -177.2 | 68.1 | 0 | 0 | 108.5 | ||
| 179 | S | 52.4 | Low | 43.3 | Very low | 48 Ų | 48 | 121.1 Ų | 121.1 | 34% | 0.336 | 65% | 0.645 | S | S | . | * | trans | -84 | 113.3 | 168.7 | 61 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 180 | Q | 38.2 | Very low | 42.7 | Very low | 158 Ų | 158 | 126.8 Ų | 126.8 | 74% | 0.738 | 67% | 0.666 | S | S | * | * | trans | -84.4 | 131.3 | 165.6 | -68.2 | -165.6 | 33.2 | 0 | 0 | 109.3 | E182 | Q180-E182 PolarHBondContact O-N 2.89Š| ||
| 181 | P | 41.5 | Very low | 41.7 | Very low | 101 Ų | 101 | 125.7 Ų | 125.7 | 66% | 0.656 | 66% | 0.655 | S | S | * | * | trans | -80.2 | 103.3 | 168.9 | 30.6 | -28.9 | 0 | 0 | 0 | 108.8 | M183 | P181-M183 PolarHBondContact O-N 2.96Å; P181-M183 VanDerWaalsContact O-N 3.11Å | ||
| 182 | E | 32.8 | Very low | 40.2 | Very low | 193 Ų | 193 | 124.3 Ų | 124.3 | 90% | 0.902 | 66% | 0.661 | S | S | * | * | trans | -78.5 | 90.8 | 165.8 | -163.5 | 167.3 | -160.7 | 0 | 0 | 107.7 | Q180 E184 | Q180-E182 PolarHBondContact O-N 2.89Å; E182-E184 PolarHBondContact O-N 2.67Å | ||
| 183 | M | 43.8 | Very low | 39.7 | Very low | 140 Ų | 140 | 127 Ų | 127 | 69% | 0.69 | 67% | 0.668 | S | S | * | * | trans | -84 | 94.8 | 172.2 | -174.4 | -177 | 72.9 | 0 | 0 | 108 | P181 Y185 | P181-M183 PolarHBondContact O-N 2.96Å; P181-M183 VanDerWaalsContact O-N 3.11Å; M183-Y185 HydrophobicContact CE-CD2 3.9Å; M183-Y185 PolarHBondContact O-N 2.73Å | ||
| 184 | E | 30.1 | Very low | 39.1 | Very low | 185 Ų | 185 | 131.6 Ų | 131.6 | 86% | 0.864 | 68% | 0.681 | S | S | * | * | trans | -68.2 | 95.5 | 170 | -166.2 | 169.4 | -164.9 | 0 | 0 | 108.8 | E182 S186 | E182-E184 PolarHBondContact O-N 2.67Å; E184-S186 PolarHBondContact O-N 3.36Å | ||
| 185 | Y | 36.4 | Very low | 38.3 | Very low | 176 Ų | 176 | 133.2 Ų | 133.2 | 69% | 0.69 | 70% | 0.695 | S | S | * | * | trans | -85.5 | 93.1 | 175.3 | -161.1 | -92.9 | 0 | 0 | 0 | 108.4 | M183 M187 | M183-Y185 HydrophobicContact CE-CD2 3.9Å; M183-Y185 PolarHBondContact O-N 2.73Å; Y185-M187 VanDerWaalsContact C-N 3.33Å; Y185-M187 HydrophobicContact CD1-CB 4.14Å; Y185-M187 HydrophobicContact CE1-CB 4.38Å; Y185-M187 HydrophobicContact CE1-CG 4.34Å; Y185-M187 PolarHBondContact O-N 3.32Å | ||
| 186 | S | 31.4 | Very low | 37.1 | Very low | 111 Ų | 111 | 135.2 Ų | 135.2 | 78% | 0.776 | 71% | 0.712 | S | S | * | * | trans | -70.9 | 91.5 | 170.6 | 51.2 | 0 | 0 | 0 | 0 | 109.4 | E184 | E184-S186 PolarHBondContact O-N 3.36Š| ||
| 187 | M | 28.8 | Very low | 36.3 | Very low | 135 Ų | 135 | 138.2 Ų | 138.2 | 67% | 0.665 | 73% | 0.73 | S | S | * | * | trans | -74.3 | 129.3 | 175.5 | -160.3 | -177.5 | 108.3 | 0 | 0 | 110 | Y185 E189 | Y185-M187 VanDerWaalsContact C-N 3.33Å; Y185-M187 HydrophobicContact CD1-CB 4.14Å; Y185-M187 HydrophobicContact CE1-CB 4.38Å; Y185-M187 HydrophobicContact CE1-CG 4.34Å; Y185-M187 PolarHBondContact O-N 3.32Å; M187-E189 PolarHBondContact O-N 2.87Å | ||
| 188 | P | 38.2 | Very low | 35.5 | Very low | 115 Ų | 115 | 136.8 Ų | 136.8 | 75% | 0.747 | 74% | 0.742 | S | S | * | * | trans | -68.8 | 113.2 | 169.1 | -16.7 | 30.6 | 0 | 0 | 0 | 109.4 | L190 | P188-L190 PolarHBondContact O-N 3.46Š| ||
| 189 | E | 33.3 | Very low | 35 | Very low | 142 Ų | 142 | 136.2 Ų | 136.2 | 66% | 0.664 | 74% | 0.743 | S | S | * | * | trans | -68.3 | 100.9 | -176.6 | -166.9 | 154.3 | 161.3 | 0 | 0 | 111.2 | M187 Q191 | M187-E189 PolarHBondContact O-N 2.87Å; E189-Q191 VanDerWaalsContact C-N 3.25Å; E189-Q191 HydrophobicContact CG-CB 4.17Å; E189-Q191 HydrophobicContact CG-CG 3.89Å; E189-Q191 PolarHBondContact O-N 3.47Å; E189-Q191 PolarHBondContact OE1-NE2 2.77Å | ||
| 190 | L | 41.7 | Very low | 34.1 | Very low | 175 Ų | 175 | 141.9 Ų | 141.9 | 92% | 0.916 | 76% | 0.762 | S | S | * | * | trans | -66.3 | 85.9 | 160.6 | -98.6 | 155.8 | 0 | 0 | 0 | 108.4 | P188 | P188-L190 PolarHBondContact O-N 3.46Š| ||
| 191 | Q | 30 | Very low | 33.9 | Very low | 161 Ų | 161 | 140 Ų | 140 | 75% | 0.752 | 76% | 0.763 | S | S | * | * | trans | -100.3 | 104.7 | 176.7 | -118.5 | -169.9 | 33 | 0 | 0 | 111.6 | E189 | E189-Q191 VanDerWaalsContact C-N 3.25Å; E189-Q191 HydrophobicContact CG-CB 4.17Å; E189-Q191 HydrophobicContact CG-CG 3.89Å; E189-Q191 PolarHBondContact O-N 3.47Å; E189-Q191 PolarHBondContact OE1-NE2 2.77Å | ||
| 192 | A | 27.8 | Very low | 33.6 | Very low | 90 Ų | 90 | 147.1 Ų | 147.1 | 74% | 0.744 | 78% | 0.777 | S | S | * | * | trans | -167.6 | 161.5 | 144.3 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 193 | P | 43.3 | Very low | 33.7 | Very low | 116 Ų | 116 | 143.4 Ų | 143.4 | 75% | 0.753 | 77% | 0.77 | S | S | * | * | cis | -140.1 | 132.8 | -40 | 30.3 | -13.9 | 0 | 0 | 0 | 112.7 | ||||
| 194 | R | 31.6 | Very low | 33.2 | Very low | 242 Ų | 242 | 144.1 Ų | 144.1 | 91% | 0.913 | 77% | 0.771 | S | S | * | * | trans | -158.3 | 107.7 | 158.5 | -74.5 | -154.4 | 162.7 | 142.7 | -2.4 | 113 | ||||
| 195 | S | 30.3 | Very low | 33.1 | Very low | 106 Ų | 106 | 141.2 Ų | 141.2 | 74% | 0.741 | 77% | 0.766 | S | S | * | * | 46.8 | 120.2 | 115.1 | 69.6 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 196 | S | 28.1 | Very low | 32.7 | Very low | 109 Ų | 109 | 139.8 Ų | 139.8 | 76% | 0.762 | 77% | 0.765 | S | S | * | * | -176.1 | 134.6 | 65 | 43.3 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 197 | V | 31.8 | Very low | 32.6 | Very low | 143 Ų | 143 | 139.9 Ų | 139.9 | 87% | 0.867 | 77% | 0.766 | S | S | * | * | trans | 54.2 | 109.2 | 136.4 | -170.5 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 198 | A | 33.6 | Very low | 32.7 | Very low | 96 Ų | 96 | 141.6 Ų | 141.6 | 79% | 0.793 | 77% | 0.772 | S | S | * | * | -177.4 | 95.7 | 122 | 0 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 199 | D | 28.9 | Very low | 32.4 | Very low | 118 Ų | 118 | 141.6 Ų | 141.6 | 63% | 0.631 | 77% | 0.77 | S | S | * | * | trans | 26.7 | 114.8 | 137.5 | -94.5 | -32.4 | 0 | 0 | 0 | 124 | ||||
| 200 | K | 34.4 | Very low | 32.2 | Very low | 168 Ų | 168 | 143.1 Ų | 143.1 | 73% | 0.73 | 78% | 0.777 | S | S | * | * | trans | 65.5 | 163.8 | 132.6 | -54.1 | 150.5 | 175.9 | 143.9 | 0 | 120.6 | ||||
| 201 | P | 33.2 | Very low | 31.8 | Very low | 119 Ų | 119 | 145.8 Ų | 145.8 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | -128 | 162.7 | -51.7 | 35.3 | -18.4 | 0 | 0 | 0 | 113.1 | |||||
| 202 | W | 36.2 | Very low | 32.1 | Very low | 249 Ų | 249 | 144 Ų | 144 | 94% | 0.943 | 78% | 0.778 | S | S | * | * | trans | -52.5 | 150.2 | 179 | -60.7 | 88.3 | 0 | 0 | 0 | 116.3 | ||||
| 203 | P | 34 | Very low | 32.3 | Very low | 115 Ų | 115 | 148.6 Ų | 148.6 | 75% | 0.747 | 78% | 0.783 | S | S | * | * | trans | -106.7 | 108.7 | 146.8 | 3.6 | 16.6 | 0 | 0 | 0 | 111.3 | ||||
| 204 | Q | 34.9 | Very low | 31.5 | Very low | 155 Ų | 155 | 146.2 Ų | 146.2 | 72% | 0.724 | 78% | 0.78 | S | S | * | * | trans | -70.2 | 115.9 | 155.5 | 176.9 | 179.8 | 3.5 | 0 | 0 | 108.2 | H206 | Q204-H206 PolarHBondContact NE2-CD2 3.29Å; Q204-H206 PolarHBondContact NE2-NE2 2.94Å | ||
| 205 | V | 27.6 | Very low | 31.5 | Very low | 125 Ų | 125 | 141.4 Ų | 141.4 | 76% | 0.758 | 78% | 0.777 | S | S | * | * | trans | -115.3 | 103.2 | 166.1 | 179.4 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 206 | H | 28.6 | Very low | 31.5 | Very low | 145 Ų | 145 | 146.3 Ų | 146.3 | 67% | 0.671 | 79% | 0.785 | S | S | * | * | trans | -70.2 | 138.5 | 163.2 | -78.3 | -78.9 | 0 | 0 | 0 | 110 | Q204 | Q204-H206 PolarHBondContact NE2-CD2 3.29Å; Q204-H206 PolarHBondContact NE2-NE2 2.94Å | ||
| 207 | S | 28 | Very low | 31.6 | Very low | 114 Ų | 114 | 144.3 Ų | 144.3 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | trans | -135.9 | 98.8 | 154.6 | -42.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 208 | H | 31.2 | Very low | 31.5 | Very low | 171 Ų | 171 | 149.8 Ų | 149.8 | 79% | 0.792 | 79% | 0.787 | S | S | * | * | trans | -84 | 119.7 | 175.3 | 165.4 | -74.7 | 0 | 0 | 0 | 109.6 | ||||
| 209 | T | 31.4 | Very low | 31.3 | Very low | 115 Ų | 115 | 148.7 Ų | 148.7 | 71% | 0.706 | 78% | 0.784 | S | S | * | * | trans | 179.9 | 131.9 | 151.8 | 2.2 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 210 | Q | 30.2 | Very low | 31.4 | Very low | 173 Ų | 173 | 150.4 Ų | 150.4 | 81% | 0.808 | 79% | 0.793 | S | S | * | * | cis | -153 | 144.8 | 13.9 | -75.3 | 169.3 | -13.7 | 0 | 0 | 108.3 | ||||
| 211 | R | 32.6 | Very low | 31.4 | Very low | 232 Ų | 232 | 153.6 Ų | 153.6 | 88% | 0.875 | 80% | 0.801 | S | S | * | * | trans | -99.6 | 154.9 | 152.1 | -90.7 | -156 | -91.3 | -168.9 | -7.8 | 108.6 | ||||
| 212 | P | 36.7 | Very low | 31.2 | Very low | 123 Ų | 123 | 151.8 Ų | 151.8 | 80% | 0.799 | 80% | 0.804 | S | S | * | * | trans | -119.5 | 141.5 | 132.9 | 2.9 | 17.7 | 0 | 0 | 0 | 112.9 | ||||
| 213 | H | 30.7 | Very low | 31.1 | Very low | 187 Ų | 187 | 145.3 Ų | 145.3 | 87% | 0.866 | 80% | 0.803 | S | S | * | * | trans | -50.4 | 162.8 | 167.9 | -61.4 | -93.5 | 0 | 0 | 0 | 113.1 | ||||
| 214 | G | 28 | Very low | 30.9 | Very low | 66 Ų | 66 | 143.6 Ų | 143.6 | 68% | 0.68 | 81% | 0.807 | S | S | * | * | cis | 149.7 | -179.1 | 17.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 215 | V | 31.9 | Very low | 30.8 | Very low | 141 Ų | 141 | 146.2 Ų | 146.2 | 86% | 0.855 | 82% | 0.816 | S | S | * | * | trans | 111.9 | 96.5 | 170.2 | 179.7 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 216 | K | 28.9 | Very low | 30.9 | Very low | 208 Ų | 208 | 145.7 Ų | 145.7 | 90% | 0.904 | 82% | 0.817 | S | S | * | * | 95.5 | 127.3 | 82.5 | -165.5 | 172.5 | -176.5 | 175.6 | 0 | 110.1 | |||||
| 217 | G | 29.8 | Very low | 31.2 | Very low | 67 Ų | 67 | 143.6 Ų | 143.6 | 69% | 0.691 | 83% | 0.826 | S | S | * | * | cis | 169.1 | -177 | 3.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 218 | R | 31.2 | Very low | 31.6 | Very low | 259 Ų | 259 | 145.9 Ų | 145.9 | 98% | 0.977 | 83% | 0.827 | S | S | * | * | trans | 87.6 | 117.5 | 167.1 | -143.1 | 177.2 | -164.7 | -129.7 | 2.1 | 115.2 | ||||
| 219 | G | 29.9 | Very low | 31.7 | Very low | 72 Ų | 72 | 147 Ų | 147 | 74% | 0.742 | 83% | 0.83 | S | S | * | * | cis | 110.5 | 100.7 | 10.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 220 | D | 30.3 | Very low | 31.7 | Very low | 154 Ų | 154 | 144.9 Ų | 144.9 | 82% | 0.824 | 83% | 0.83 | S | S | * | * | -177 | 161.6 | 126.4 | -155.1 | 11.6 | 0 | 0 | 0 | 112.9 | |||||
| 221 | R | 34.9 | Very low | 31.6 | Very low | 236 Ų | 236 | 145.8 Ų | 145.8 | 89% | 0.891 | 83% | 0.832 | S | S | * | * | trans | -95 | 164.6 | -154.2 | -59.6 | 160.9 | 175.8 | -175.1 | -0.9 | 114.6 | ||||
| 222 | G | 28.5 | Very low | 31.6 | Very low | 80 Ų | 80 | 145.8 Ų | 145.8 | 83% | 0.825 | 83% | 0.832 | S | S | * | * | trans | 177.6 | 88.8 | 158.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 223 | A | 32.8 | Very low | 31.6 | Very low | 113 Ų | 113 | 145.7 Ų | 145.7 | 93% | 0.934 | 83% | 0.831 | S | S | * | * | trans | -76.7 | 141.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 224 | G | 30.9 | Very low | 31.8 | Very low | 80 Ų | 80 | 142.4 Ų | 142.4 | 83% | 0.825 | 82% | 0.824 | S | S | * | * | trans | -154.9 | 109.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 225 | K | 31.7 | Very low | 32.2 | Very low | 209 Ų | 209 | 148 Ų | 148 | 91% | 0.909 | 83% | 0.833 | S | S | * | * | trans | -63.2 | 142.5 | -173.1 | -60.6 | 160.4 | 175.9 | 177.8 | 0 | 113.5 | ||||
| 226 | S | 31.5 | Very low | 32.2 | Very low | 114 Ų | 114 | 148.4 Ų | 148.4 | 80% | 0.797 | 83% | 0.825 | S | S | * | * | 177.2 | 126.4 | 114 | 54.1 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 227 | A | 33.6 | Very low | 32.5 | Very low | 102 Ų | 102 | 143.2 Ų | 143.2 | 84% | 0.843 | 82% | 0.82 | S | S | * | * | trans | -82 | 123.3 | 168.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 228 | I | 37.5 | Very low | 32.8 | Very low | 162 Ų | 162 | 147.4 Ų | 147.4 | 83% | 0.831 | 82% | 0.822 | S | S | * | * | trans | -132 | 117 | 153.6 | -63.6 | -177.2 | 0 | 0 | 0 | 109 | ||||
| 229 | K | 33.3 | Very low | 32.8 | Very low | 194 Ų | 194 | 141 Ų | 141 | 84% | 0.843 | 81% | 0.808 | S | S | * | * | trans | -63.4 | 115.1 | 174.3 | 178.5 | 166.6 | 177.9 | 171.7 | 0 | 110 | ||||
| 230 | G | 30.4 | Very low | 33 | Very low | 70 Ų | 70 | 142 Ų | 142 | 72% | 0.722 | 81% | 0.809 | S | S | * | * | trans | -137.5 | 103.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | R232 | G230-R232 PolarHBondContact O-N 3.43Š| ||
| 231 | K | 28.2 | Very low | 33.3 | Very low | 192 Ų | 192 | 138.2 Ų | 138.2 | 84% | 0.835 | 80% | 0.798 | S | S | * | * | trans | -59.5 | 121.1 | 177.5 | -69.5 | 175.1 | 172.6 | -171.8 | 0 | 109.6 | P233 | K231-P233 WeakPolarHBondContact O-CD 3.28Š| ||
| 232 | R | 32.9 | Very low | 33.7 | Very low | 233 Ų | 233 | 130 Ų | 130 | 88% | 0.879 | 78% | 0.781 | S | S | * | * | trans | -82.4 | 116.2 | 161.6 | -66.2 | 179.9 | 178.7 | 179.8 | -1.6 | 107.6 | G230 V234 | G230-R232 PolarHBondContact O-N 3.43Å; R232-V234 PolarHBondContact O-N 3.4Å | ||
| 233 | P | 36.1 | Very low | 34.2 | Very low | 121 Ų | 121 | 132.1 Ų | 132.1 | 79% | 0.786 | 77% | 0.773 | S | S | * | * | trans | -71.8 | 113 | 159.7 | 28 | -27 | 0 | 0 | 0 | 107.6 | K231 Q235 | K231-P233 WeakPolarHBondContact O-CD 3.28Å; P233-Q235 PolarHBondContact O-N 3Å | ||
| 234 | V | 35.1 | Very low | 34.9 | Very low | 117 Ų | 117 | 134.3 Ų | 134.3 | 71% | 0.709 | 76% | 0.764 | S | S | * | * | trans | -39 | 114.1 | 164.8 | 164.9 | 0 | 0 | 0 | 0 | 110.1 | R232 H236 | R232-V234 PolarHBondContact O-N 3.4Å; V234-H236 VanDerWaalsContact C-N 3.34Å; V234-H236 HydrophobicContact CG1-CB 3.57Å; V234-H236 PolarHBondContact O-N 2.96Å | ||
| 235 | Q | 35.8 | Very low | 36.4 | Very low | 185 Ų | 185 | 134 Ų | 134 | 86% | 0.864 | 74% | 0.743 | S | S | * | * | trans | -65.2 | 98.3 | 159.2 | -76.5 | 176.2 | -51.3 | 0 | 0 | 106.7 | P233 | P233-Q235 PolarHBondContact O-N 3Š| ||
| 236 | H | 33.9 | Very low | 37.7 | Very low | 148 Ų | 148 | 131.9 Ų | 131.9 | 69% | 0.685 | 74% | 0.735 | S | S | * | * | trans | -144.7 | 68.8 | 169.8 | -153.6 | -21.7 | 0 | 0 | 0 | 107.3 | V234 | V234-H236 VanDerWaalsContact C-N 3.34Å; V234-H236 HydrophobicContact CG1-CB 3.57Å; V234-H236 PolarHBondContact O-N 2.96Å | ||
| 237 | A | 33.6 | Very low | 39.1 | Very low | 99 Ų | 99 | 129.4 Ų | 129.4 | 82% | 0.818 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -152.2 | 24.2 | 173 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 238 | E | 35.7 | Very low | 40.2 | Very low | 155 Ų | 155 | 124.7 Ų | 124.7 | 72% | 0.724 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -125 | 11.3 | 179.9 | -65.4 | -158.6 | 114.6 | 0 | 0 | 114.3 | ||
| 239 | D | 32.5 | Very low | 41.1 | Very low | 126 Ų | 126 | 121.4 Ų | 121.4 | 67% | 0.674 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -101.2 | 1.4 | -177.2 | -79 | -46.8 | 0 | 0 | 0 | 115 | ||
| 240 | A | 33.8 | Very low | 42.1 | Very low | 93 Ų | 93 | 117.9 Ų | 117.9 | 77% | 0.769 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -103.4 | -10.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 241 | A | 36.7 | Very low | 43.3 | Very low | 73 Ų | 73 | 115.2 Ų | 115.2 | 60% | 0.603 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -99.1 | -10.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 242 | A | 42.8 | Very low | 44.7 | Very low | 64 Ų | 64 | 116.4 Ų | 116.4 | 53% | 0.529 | 62% | 0.621 | S | S | . | * | G | 310 helix | trans | -76.9 | -25.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | H244 | A242-H244 VanDerWaalsContact C-N 3.29Å; A242-H244 PolarHBondContact O-N 2.75Å |
| 243 | D | 39.1 | Very low | 45.9 | Very low | 124 Ų | 124 | 116.4 Ų | 116.4 | 66% | 0.663 | 62% | 0.621 | S | S | * | * | G | 310 helix | trans | -77.8 | -6.8 | -174.4 | -81.5 | -27.3 | 0 | 0 | 0 | 114.8 | F246 | D243-F246 WeakPolarHBondContact O-CE2 3.2Š|
| 244 | H | 48.9 | Very low | 47 | Very low | 159 Ų | 159 | 114 Ų | 114 | 74% | 0.736 | 61% | 0.607 | S | S | * | * | G | 310 helix | trans | -110.4 | 6.9 | 178.5 | -67.1 | -50.6 | 0 | 0 | 0 | 114.6 | A242 F246 | A242-H244 VanDerWaalsContact C-N 3.29Å; A242-H244 PolarHBondContact O-N 2.75Å; H244-F246 PolarHBondContact O-N 3.25Å |
| 245 | D | 61.4 | Low | 48.1 | Very low | 73 Ų | 73 | 111.8 Ų | 111.8 | 39% | 0.39 | 61% | 0.608 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -93.9 | 29.4 | -172.7 | -102.8 | 7.8 | 0 | 0 | 0 | 114.2 | L247 G248 C249 R258 | D245-L247 PolarHBondContact O-N 3.25Å; D245-G248 CarbonylContact O-C 3.55Å; D245-G248 VanDerWaalsContact O-CA 3.29Å; D245-G248 WeakPolarHBondContact O-CA 3.43Å; D245-G248 PolarHBondContact O-N 3.07Å; D245-C249 PolarHBondContact O-N 3.31Å; D245-R258 IonicContact OD2-NH2 3.78Å |
| 246 | F | 59.4 | Low | 49.3 | Very low | 165 Ų | 165 | 106.9 Ų | 106.9 | 72% | 0.724 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -57.6 | -38.2 | 171.8 | -70.4 | -80.3 | 0 | 0 | 0 | 112.1 | D243 H244 G248 C249 M250 | D243-F246 WeakPolarHBondContact O-CE2 3.2Å; H244-F246 PolarHBondContact O-N 3.25Å; F246-G248 VanDerWaalsContact C-N 3.3Å; F246-C249 PolarHBondContact O-N 2.88Å; F246-M250 WeakPolarHBondContact O-CG 3.29Å; F246-M250 PolarHBondContact O-N 3.17Å; F246-M250 VanDerWaalsContact O-N 3.11Å |
| 247 | L | 60.3 | Low | 51.3 | Low | 63 Ų | 63 | 102.8 Ų | 102.8 | 33% | 0.33 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -68 | -31.9 | 172.8 | -68.4 | 166.9 | 0 | 0 | 0 | 111.6 | D245 S251 L261 A262 L265 | D245-L247 PolarHBondContact O-N 3.25Å; L247-S251 VanDerWaalsContact O-CB 3.23Å; L247-S251 WeakPolarHBondContact O-CB 3.42Å; L247-S251 PolarHBondContact O-N 3.34Å; L247-S251 PolarHBondContact O-OG 3.42Å; L247-L261 HydrophobicContact CD2-CB 4.31Å; L247-A262 HydrophobicContact CD1-CB 4.24Å; L247-L265 HydrophobicContact CD2-CD1 4.43Å |
| 248 | G | 56.8 | Low | 53 | Low | 3 Ų | 3 | 104.2 Ų | 104.2 | 3% | 0.031 | 56% | 0.558 | C | S | . | * | H | α-helix | trans | -64.6 | -44.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | D245 F246 S251 R252 | D245-G248 CarbonylContact O-C 3.55Å; D245-G248 VanDerWaalsContact O-CA 3.29Å; D245-G248 WeakPolarHBondContact O-CA 3.43Å; D245-G248 PolarHBondContact O-N 3.07Å; F246-G248 VanDerWaalsContact C-N 3.3Å; G248-S251 WeakPolarHBondContact CA-OG 3.49Å; G248-S251 PolarHBondContact O-N 3.32Å; G248-S251 PolarHBondContact O-OG 3.34Å; G248-R252 PolarHBondContact O-N 3.35Å; G248-R252 VanDerWaalsContact O-N 3.11Å |
| 249 | C | 55.9 | Low | 55 | Low | 92 Ų | 92 | 105.5 Ų | 105.5 | 62% | 0.622 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -64.9 | -41.7 | 177.2 | -68.4 | 0 | 0 | 0 | 0 | 112.4 | D245 F246 R252 R253 | D245-C249 PolarHBondContact O-N 3.31Å; F246-C249 PolarHBondContact O-N 2.88Å; C249-R252 PolarHBondContact O-N 3Å; C249-R253 PolarHBondContact O-N 3.25Å |
| 250 | M | 55 | Low | 57.3 | Low | 121 Ų | 121 | 102.4 Ų | 102.4 | 60% | 0.596 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -68.6 | -36.4 | 174.6 | -66.7 | -117.8 | -105 | 0 | 0 | 112.2 | F246 R252 R253 S254 L261 | F246-M250 WeakPolarHBondContact O-CG 3.29Å; F246-M250 PolarHBondContact O-N 3.17Å; F246-M250 VanDerWaalsContact O-N 3.11Å; M250-R252 VanDerWaalsContact C-N 3.33Å; M250-R252 PolarHBondContact O-N 3.32Å; M250-R253 PolarHBondContact O-N 3.49Å; M250-S254 PolarHBondContact O-N 3.31Å; M250-S254 PolarHBondContact O-OG 3.23Å; M250-L261 HydrophobicContact CB-CD1 4.04Å |
| 251 | S | 56 | Low | 59.3 | Low | 13 Ų | 13 | 99.6 Ų | 99.6 | 9% | 0.091 | 51% | 0.511 | C | S | . | . | H | α-helix | trans | -62 | -38.7 | 176.5 | 74.5 | 0 | 0 | 0 | 0 | 112.8 | L247 G248 R253 S254 G255 L256 L261 | L247-S251 VanDerWaalsContact O-CB 3.23Å; L247-S251 WeakPolarHBondContact O-CB 3.42Å; L247-S251 PolarHBondContact O-N 3.34Å; L247-S251 PolarHBondContact O-OG 3.42Å; G248-S251 WeakPolarHBondContact CA-OG 3.49Å; G248-S251 PolarHBondContact O-N 3.32Å; G248-S251 PolarHBondContact O-OG 3.34Å; S251-R253 VanDerWaalsContact C-N 3.29Å; S251-R253 PolarHBondContact O-N 3.17Å; S251-S254 PolarHBondContact O-N 3.29Å; S251-G255 PolarHBondContact O-N 3.05Å; S251-L256 VanDerWaalsContact CB-O 3.28Å; S251-L256 WeakPolarHBondContact CB-O 3.3Å; S251-L261 VanDerWaalsContact CA-CD1 3.47Å |
| 252 | R | 57.3 | Low | 61.2 | Low | 217 Ų | 217 | 98 Ų | 98 | 82% | 0.819 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -67 | -28.9 | 176.7 | -77.1 | -175.6 | 177.4 | -170.4 | 1.2 | 113 | G248 C249 M250 | G248-R252 PolarHBondContact O-N 3.35Å; G248-R252 VanDerWaalsContact O-N 3.11Å; C249-R252 PolarHBondContact O-N 3Å; M250-R252 VanDerWaalsContact C-N 3.33Å; M250-R252 PolarHBondContact O-N 3.32Å |
| 253 | R | 56.8 | Low | 63 | Low | 233 Ų | 233 | 97 Ų | 97 | 88% | 0.879 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -82.8 | -30.1 | 178.6 | -154 | 174.6 | -162.8 | 172.1 | 4.2 | 112.7 | C249 M250 S251 | C249-R253 PolarHBondContact O-N 3.25Å; M250-R253 PolarHBondContact O-N 3.49Å; S251-R253 VanDerWaalsContact C-N 3.29Å; S251-R253 PolarHBondContact O-N 3.17Å |
| 254 | S | 59.8 | Low | 65 | Low | 71 Ų | 71 | 94.9 Ų | 94.9 | 50% | 0.497 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -99.7 | -9.8 | -177.4 | -57.9 | 0 | 0 | 0 | 0 | 114.4 | M250 S251 L256 | M250-S254 PolarHBondContact O-N 3.31Å; M250-S254 PolarHBondContact O-OG 3.23Å; S251-S254 PolarHBondContact O-N 3.29Å; S254-L256 PolarHBondContact O-N 2.86Å; S254-L256 VanDerWaalsContact O-N 3.13Å |
| 255 | G | 59 | Low | 66.7 | Low | 71 Ų | 71 | 91.6 Ų | 91.6 | 73% | 0.732 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.3 | 9.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | S251 | S251-G255 PolarHBondContact O-N 3.05Š|
| 256 | L | 60.7 | Low | 67.8 | Low | 82 Ų | 82 | 93.9 Ų | 93.9 | 43% | 0.429 | 48% | 0.478 | S | S | . | . | trans | -100.9 | 137.8 | -176.3 | -73.5 | 163.3 | 0 | 0 | 0 | 110.4 | S251 S254 | S251-L256 VanDerWaalsContact CB-O 3.28Å; S251-L256 WeakPolarHBondContact CB-O 3.3Å; S254-L256 PolarHBondContact O-N 2.86Å; S254-L256 VanDerWaalsContact O-N 3.13Å | ||
| 257 | P | 75.1 | Confident | 68.8 | Low | 61 Ų | 61 | 90 Ų | 90 | 40% | 0.396 | 46% | 0.464 | S | S | . | . | trans | -62.8 | 143.8 | -177.3 | 23.8 | -32.6 | 0 | 0 | 0 | 112.3 | W259 I260 | P257-W259 PolarHBondContact O-N 3.39Å; P257-I260 HydrophobicContact CG-CD1 3.49Å; P257-I260 VanDerWaalsContact CG-CD1 3.49Å; P257-I260 HydrophobicContact CG-CG1 3.87Å; P257-I260 WeakPolarHBondContact O-CB 3.35Å; P257-I260 PolarHBondContact O-N 3.39Å | ||
| 258 | R | 71 | Confident | 70 | Confident | 130 Ų | 130 | 90.1 Ų | 90.1 | 49% | 0.491 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -50.9 | -34.8 | -171.4 | -68.5 | -178.8 | 172.6 | 106.9 | -13.3 | 114.5 | D245 I260 A262 | D245-R258 IonicContact OD2-NH2 3.78Å; R258-I260 VanDerWaalsContact C-N 3.35Å; R258-I260 PolarHBondContact O-N 3.14Å; R258-A262 PolarHBondContact O-N 3.48Å; R258-A262 VanDerWaalsContact O-N 3.13Å |
| 259 | W | 77.4 | Confident | 71.7 | Confident | 181 Ų | 181 | 94.7 Ų | 94.7 | 69% | 0.686 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -69.9 | -29.8 | -179.7 | 70.6 | -89.9 | 0 | 0 | 0 | 113 | P257 A263 | P257-W259 PolarHBondContact O-N 3.39Å; W259-A263 VanDerWaalsContact O-CB 3.25Å; W259-A263 WeakPolarHBondContact O-CB 3.38Å; W259-A263 PolarHBondContact O-N 3.18Å |
| 260 | I | 80.3 | Confident | 73 | Confident | 61 Ų | 61 | 94.5 Ų | 94.5 | 31% | 0.313 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -72.6 | -41.7 | 178 | -63 | -178.1 | 0 | 0 | 0 | 110.4 | P257 R258 A263 C264 | P257-I260 HydrophobicContact CG-CD1 3.49Å; P257-I260 VanDerWaalsContact CG-CD1 3.49Å; P257-I260 HydrophobicContact CG-CG1 3.87Å; P257-I260 WeakPolarHBondContact O-CB 3.35Å; P257-I260 PolarHBondContact O-N 3.39Å; R258-I260 VanDerWaalsContact C-N 3.35Å; R258-I260 PolarHBondContact O-N 3.14Å; I260-A263 PolarHBondContact O-N 2.95Å; I260-C264 VanDerWaalsContact O-CB 3.25Å; I260-C264 WeakPolarHBondContact O-CB 3.25Å; I260-C264 PolarHBondContact O-N 3.15Å |
| 261 | L | 75.9 | Confident | 74.6 | Confident | 34 Ų | 34 | 92 Ų | 92 | 18% | 0.178 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -65.3 | -42 | 175.9 | -70.2 | -179.5 | 0 | 0 | 0 | 111.6 | L247 M250 S251 C264 L265 | L247-L261 HydrophobicContact CD2-CB 4.31Å; M250-L261 HydrophobicContact CB-CD1 4.04Å; S251-L261 VanDerWaalsContact CA-CD1 3.47Å; L261-C264 PolarHBondContact O-N 3.35Å; L261-L265 WeakPolarHBondContact O-CB 3.22Å; L261-L265 PolarHBondContact O-N 3.48Å |
| 262 | A | 77.2 | Confident | 75.9 | Confident | 40 Ų | 40 | 97.3 Ų | 97.3 | 33% | 0.331 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.5 | -45 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L247 R258 L265 F266 | L247-A262 HydrophobicContact CD1-CB 4.24Å; R258-A262 PolarHBondContact O-N 3.48Å; R258-A262 VanDerWaalsContact O-N 3.13Å; A262-L265 PolarHBondContact O-N 2.88Å; A262-F266 WeakPolarHBondContact O-CB 3.31Å; A262-F266 PolarHBondContact O-N 3.42Å |
| 263 | A | 80.5 | Confident | 77.2 | Confident | 43 Ų | 43 | 91.5 Ų | 91.5 | 36% | 0.355 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.4 | -43.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | W259 I260 F266 L267 | W259-A263 VanDerWaalsContact O-CB 3.25Å; W259-A263 WeakPolarHBondContact O-CB 3.38Å; W259-A263 PolarHBondContact O-N 3.18Å; I260-A263 PolarHBondContact O-N 2.95Å; A263-F266 PolarHBondContact O-N 2.9Å; A263-L267 WeakPolarHBondContact O-CB 3.43Å; A263-L267 VanDerWaalsContact O-CG 3.22Å; A263-L267 WeakPolarHBondContact O-CG 3.4Å; A263-L267 PolarHBondContact O-N 3.28Å |
| 264 | C | 81.3 | Confident | 78.7 | Confident | 79 Ų | 79 | 85.2 Ų | 85.2 | 53% | 0.534 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -64.2 | -43.4 | 178.7 | -176.4 | 0 | 0 | 0 | 0 | 112.1 | I260 L261 L267 S268 | I260-C264 VanDerWaalsContact O-CB 3.25Å; I260-C264 WeakPolarHBondContact O-CB 3.25Å; I260-C264 PolarHBondContact O-N 3.15Å; L261-C264 PolarHBondContact O-N 3.35Å; C264-L267 PolarHBondContact O-N 3.32Å; C264-S268 WeakPolarHBondContact O-CB 3.28Å; C264-S268 PolarHBondContact O-N 2.99Å |
| 265 | L | 83.3 | Confident | 79.9 | Confident | 90 Ų | 90 | 86.3 Ų | 86.3 | 47% | 0.471 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -63.4 | -44 | 175.8 | -175.6 | 148.7 | 0 | 0 | 0 | 111.2 | L247 L261 A262 L267 S268 I269 | L247-L265 HydrophobicContact CD2-CD1 4.43Å; L261-L265 WeakPolarHBondContact O-CB 3.22Å; L261-L265 PolarHBondContact O-N 3.48Å; A262-L265 PolarHBondContact O-N 2.88Å; L265-L267 PolarHBondContact O-N 3.37Å; L265-S268 WeakPolarHBondContact O-CB 3.38Å; L265-S268 PolarHBondContact O-N 2.84Å; L265-I269 HydrophobicContact CD2-CD1 3.52Å; L265-I269 HydrophobicContact CD2-CG1 4.4Å; L265-I269 HydrophobicContact CG-CD1 4.45Å; L265-I269 WeakPolarHBondContact O-CG1 3.24Å; L265-I269 PolarHBondContact O-N 3.34Å |
| 266 | F | 85.3 | Confident | 80.8 | Confident | 121 Ų | 121 | 86.5 Ų | 86.5 | 53% | 0.531 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -61.5 | -44.2 | 175.9 | -179.4 | -98.2 | 0 | 0 | 0 | 112.2 | A262 A263 S268 I269 M270 | A262-F266 WeakPolarHBondContact O-CB 3.31Å; A262-F266 PolarHBondContact O-N 3.42Å; A263-F266 PolarHBondContact O-N 2.9Å; F266-S268 VanDerWaalsContact C-N 3.32Å; F266-S268 PolarHBondContact O-N 3.11Å; F266-I269 PolarHBondContact O-N 3.45Å; F266-M270 HydrophobicContact CD1-CG 4.12Å; F266-M270 HydrophobicContact CE1-CG 3.65Å; F266-M270 HydrophobicContact CE1-SD 4.13Å; F266-M270 HydrophobicContact CE2-CG 4.31Å; F266-M270 HydrophobicContact CZ-CG 3.76Å; F266-M270 HydrophobicContact CZ-SD 3.95Å; F266-M270 WeakPolarHBondContact O-CB 3.32Å; F266-M270 WeakPolarHBondContact O-CG 3.2Å; F266-M270 PolarHBondContact O-N 2.9Å |
| 267 | L | 79.1 | Confident | 81.4 | Confident | 83 Ų | 83 | 85.7 Ų | 85.7 | 44% | 0.435 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -62 | -39.8 | 175.5 | -72 | 171.1 | 0 | 0 | 0 | 111.6 | A263 C264 L265 M270 V271 | A263-L267 WeakPolarHBondContact O-CB 3.43Å; A263-L267 VanDerWaalsContact O-CG 3.22Å; A263-L267 WeakPolarHBondContact O-CG 3.4Å; A263-L267 PolarHBondContact O-N 3.28Å; C264-L267 PolarHBondContact O-N 3.32Å; L265-L267 PolarHBondContact O-N 3.37Å; L267-M270 PolarHBondContact O-N 3.37Å; L267-V271 WeakPolarHBondContact O-CB 3.25Å; L267-V271 VanDerWaalsContact O-CG2 3.23Å; L267-V271 WeakPolarHBondContact O-CG2 3.32Å; L267-V271 PolarHBondContact O-N 2.89Å |
| 268 | S | 87.4 | Confident | 81.4 | Confident | 67 Ų | 67 | 84.7 Ų | 84.7 | 47% | 0.469 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -61.1 | -45.7 | 175.6 | 179.3 | 0 | 0 | 0 | 0 | 112 | C264 L265 F266 V271 M272 | C264-S268 WeakPolarHBondContact O-CB 3.28Å; C264-S268 PolarHBondContact O-N 2.99Å; L265-S268 WeakPolarHBondContact O-CB 3.38Å; L265-S268 PolarHBondContact O-N 2.84Å; F266-S268 VanDerWaalsContact C-N 3.32Å; F266-S268 PolarHBondContact O-N 3.11Å; S268-V271 PolarHBondContact O-N 2.79Å; S268-M272 WeakPolarHBondContact O-CG 3.39Å; S268-M272 PolarHBondContact O-N 3.32Å |
| 269 | I | 91.1 | Very high | 81.1 | Confident | 98 Ų | 98 | 82 Ų | 82 | 50% | 0.503 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -63.9 | -46.4 | 177.4 | -65.4 | 171 | 0 | 0 | 0 | 110.8 | L265 F266 V271 M272 L273 | L265-I269 HydrophobicContact CD2-CD1 3.52Å; L265-I269 HydrophobicContact CD2-CG1 4.4Å; L265-I269 HydrophobicContact CG-CD1 4.45Å; L265-I269 WeakPolarHBondContact O-CG1 3.24Å; L265-I269 PolarHBondContact O-N 3.34Å; F266-I269 PolarHBondContact O-N 3.45Å; I269-V271 VanDerWaalsContact C-N 3.3Å; I269-V271 PolarHBondContact O-N 3.2Å; I269-M272 PolarHBondContact O-N 3.41Å; I269-L273 WeakPolarHBondContact O-CB 3.4Å; I269-L273 PolarHBondContact O-N 3Å |
| 270 | M | 84 | Confident | 80.5 | Confident | 89 Ų | 89 | 80.2 Ų | 80.2 | 44% | 0.438 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -59.4 | -40.2 | 177.4 | -78 | -98.2 | 77.7 | 0 | 0 | 112.1 | F266 L267 L273 W274 | F266-M270 HydrophobicContact CD1-CG 4.12Å; F266-M270 HydrophobicContact CE1-CG 3.65Å; F266-M270 HydrophobicContact CE1-SD 4.13Å; F266-M270 HydrophobicContact CE2-CG 4.31Å; F266-M270 HydrophobicContact CZ-CG 3.76Å; F266-M270 HydrophobicContact CZ-SD 3.95Å; F266-M270 WeakPolarHBondContact O-CB 3.32Å; F266-M270 WeakPolarHBondContact O-CG 3.2Å; F266-M270 PolarHBondContact O-N 2.9Å; L267-M270 PolarHBondContact O-N 3.37Å; M270-L273 HydrophobicContact CE-CD2 4.2Å; M270-W274 VanDerWaalsContact O-CB 3.25Å; M270-W274 WeakPolarHBondContact O-CB 3.38Å; M270-W274 PolarHBondContact O-N 2.98Å |
| 271 | V | 87.3 | Confident | 79.4 | Confident | 69 Ų | 69 | 83 Ų | 83 | 42% | 0.418 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -69.6 | -42.6 | 177.1 | 170.7 | 0 | 0 | 0 | 0 | 111.5 | L267 S268 I269 L273 W274 L275 | L267-V271 WeakPolarHBondContact O-CB 3.25Å; L267-V271 VanDerWaalsContact O-CG2 3.23Å; L267-V271 WeakPolarHBondContact O-CG2 3.32Å; L267-V271 PolarHBondContact O-N 2.89Å; S268-V271 PolarHBondContact O-N 2.79Å; I269-V271 VanDerWaalsContact C-N 3.3Å; I269-V271 PolarHBondContact O-N 3.2Å; V271-L273 VanDerWaalsContact C-N 3.34Å; V271-L273 PolarHBondContact O-N 3.28Å; V271-W274 PolarHBondContact O-N 3.44Å; V271-L275 HydrophobicContact CG1-CD1 4.14Å; V271-L275 HydrophobicContact CG1-CG 4.41Å; V271-L275 WeakPolarHBondContact O-CG 3.28Å; V271-L275 PolarHBondContact O-N 3.32Å |
| 272 | M | 83.5 | Confident | 78.3 | Confident | 123 Ų | 123 | 86.5 Ų | 86.5 | 61% | 0.606 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61.2 | -43.6 | 175 | -79.8 | -64 | -160.8 | 0 | 0 | 111.9 | S268 I269 W274 L275 S276 | S268-M272 WeakPolarHBondContact O-CG 3.39Å; S268-M272 PolarHBondContact O-N 3.32Å; I269-M272 PolarHBondContact O-N 3.41Å; M272-W274 VanDerWaalsContact C-N 3.34Å; M272-L275 PolarHBondContact O-N 3.25Å; M272-S276 WeakPolarHBondContact O-CB 3.46Å; M272-S276 PolarHBondContact O-N 3.11Å; M272-S276 PolarHBondContact O-OG 3.46Å |
| 273 | L | 86 | Confident | 76.4 | Confident | 95 Ų | 95 | 87.7 Ų | 87.7 | 50% | 0.497 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.1 | -40.3 | 175.9 | -170.7 | 64.9 | 0 | 0 | 0 | 110.9 | I269 M270 V271 S276 C277 | I269-L273 WeakPolarHBondContact O-CB 3.4Å; I269-L273 PolarHBondContact O-N 3Å; M270-L273 HydrophobicContact CE-CD2 4.2Å; V271-L273 VanDerWaalsContact C-N 3.34Å; V271-L273 PolarHBondContact O-N 3.28Å; L273-S276 WeakPolarHBondContact O-CB 3.41Å; L273-S276 PolarHBondContact O-N 2.95Å; L273-C277 WeakPolarHBondContact O-CB 3.31Å; L273-C277 PolarHBondContact O-N 3.06Å; L273-C277 PolarHBondContact O-SG 3.37Å |
| 274 | W | 87.4 | Confident | 74.5 | Confident | 101 Ų | 101 | 90.8 Ų | 90.8 | 38% | 0.383 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.6 | -44.5 | 176.5 | 177.6 | 33.3 | 0 | 0 | 0 | 112.8 | F12 M270 V271 M272 S276 C277 A278 | F12-W274 AromaticContact CD1-CH2 3.81Å; F12-W274 HydrophobicContact CD1-CH2 3.81Å; F12-W274 HydrophobicContact CD1-CZ2 4.41Å; F12-W274 HydrophobicContact CD1-CZ3 4.07Å; F12-W274 HydrophobicContact CD2-CH2 4.16Å; F12-W274 AromaticContact CD2-CZ2 3.95Å; F12-W274 HydrophobicContact CD2-CZ2 3.95Å; F12-W274 HydrophobicContact CE1-CD2 4.14Å; F12-W274 AromaticContact CE1-CE3 3.63Å; F12-W274 HydrophobicContact CE1-CE3 3.63Å; F12-W274 AromaticContact CE1-CH2 3.21Å; F12-W274 HydrophobicContact CE1-CH2 3.21Å; F12-W274 AromaticContact CE1-CZ2 3.77Å; F12-W274 HydrophobicContact CE1-CZ2 3.77Å; F12-W274 AromaticContact CE1-CZ3 3.13Å; F12-W274 HydrophobicContact CE1-CZ3 3.13Å; F12-W274 HydrophobicContact CE2-CD2 4.04Å; F12-W274 AromaticContact CE2-CE2 3.44Å; F12-W274 VanDerWaalsContact CE2-CE2 3.44Å; F12-W274 HydrophobicContact CE2-CE3 4.35Å; F12-W274 AromaticContact CE2-CH2 3.61Å; F12-W274 HydrophobicContact CE2-CH2 3.61Å; F12-W274 AromaticContact CE2-CZ2 3.21Å; F12-W274 HydrophobicContact CE2-CZ2 3.21Å; F12-W274 HydrophobicContact CE2-CZ3 4.17Å; F12-W274 AromaticContact CE2-NE1 3.94Å; F12-W274 HydrophobicContact CG-CH2 4.27Å; F12-W274 AromaticContact CZ-CD2 3.35Å; F12-W274 HydrophobicContact CZ-CD2 3.35Å; F12-W274 AromaticContact CZ-CE2 3.23Å; F12-W274 AromaticContact CZ-CE3 3.33Å; F12-W274 HydrophobicContact CZ-CE3 3.33Å; F12-W274 HydrophobicContact CZ-CG 4.23Å; F12-W274 AromaticContact CZ-CH2 3.13Å; F12-W274 HydrophobicContact CZ-CH2 3.13Å; F12-W274 AromaticContact CZ-CZ2 3.15Å; F12-W274 HydrophobicContact CZ-CZ2 3.15Å; F12-W274 AromaticContact CZ-CZ3 3.23Å; F12-W274 HydrophobicContact CZ-CZ3 3.23Å; M270-W274 VanDerWaalsContact O-CB 3.25Å; M270-W274 WeakPolarHBondContact O-CB 3.38Å; M270-W274 PolarHBondContact O-N 2.98Å; V271-W274 PolarHBondContact O-N 3.44Å; M272-W274 VanDerWaalsContact C-N 3.34Å; W274-S276 VanDerWaalsContact C-N 3.27Å; W274-S276 PolarHBondContact O-N 3.44Å; W274-C277 PolarHBondContact O-N 2.91Å; W274-A278 WeakPolarHBondContact O-CB 3.44Å; W274-A278 PolarHBondContact O-N 3.06Å |
| 275 | L | 84.4 | Confident | 72.6 | Confident | 95 Ų | 95 | 96 Ų | 96 | 50% | 0.497 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.3 | -35.1 | 175.1 | -72.1 | 175.1 | 0 | 0 | 0 | 111.8 | V271 M272 A278 S279 | V271-L275 HydrophobicContact CG1-CD1 4.14Å; V271-L275 HydrophobicContact CG1-CG 4.41Å; V271-L275 WeakPolarHBondContact O-CG 3.28Å; V271-L275 PolarHBondContact O-N 3.32Å; M272-L275 PolarHBondContact O-N 3.25Å; L275-A278 PolarHBondContact O-N 3.31Å; L275-S279 WeakPolarHBondContact O-CB 3.4Å; L275-S279 PolarHBondContact O-N 3.2Å; L275-S279 PolarHBondContact O-OG 3.47Å |
| 276 | S | 78.1 | Confident | 70.7 | Confident | 74 Ų | 74 | 99 Ų | 99 | 52% | 0.517 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -65.1 | -45.6 | 173.3 | -56.4 | 0 | 0 | 0 | 0 | 111.2 | M272 L273 W274 S279 L280 | M272-S276 WeakPolarHBondContact O-CB 3.46Å; M272-S276 PolarHBondContact O-N 3.11Å; M272-S276 PolarHBondContact O-OG 3.46Å; L273-S276 WeakPolarHBondContact O-CB 3.41Å; L273-S276 PolarHBondContact O-N 2.95Å; W274-S276 VanDerWaalsContact C-N 3.27Å; W274-S276 PolarHBondContact O-N 3.44Å; S276-S279 PolarHBondContact O-N 3.27Å; S276-L280 WeakPolarHBondContact O-CB 3.46Å; S276-L280 PolarHBondContact O-N 3.29Å |
| 277 | C | 74 | Confident | 68.6 | Low | 65 Ų | 65 | 101.1 Ų | 101.1 | 44% | 0.439 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -67.2 | -35.8 | 176.1 | -67.7 | 0 | 0 | 0 | 0 | 112.9 | L273 W274 L280 V281 | L273-C277 WeakPolarHBondContact O-CB 3.31Å; L273-C277 PolarHBondContact O-N 3.06Å; L273-C277 PolarHBondContact O-SG 3.37Å; W274-C277 PolarHBondContact O-N 2.91Å; C277-L280 PolarHBondContact O-N 2.91Å; C277-V281 WeakPolarHBondContact O-CG2 3.31Å; C277-V281 PolarHBondContact O-N 2.97Å |
| 278 | A | 75 | Confident | 66.9 | Low | 40 Ų | 40 | 103.2 Ų | 103.2 | 33% | 0.331 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -68 | -39.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | W274 L275 V281 T282 | W274-A278 WeakPolarHBondContact O-CB 3.44Å; W274-A278 PolarHBondContact O-N 3.06Å; L275-A278 PolarHBondContact O-N 3.31Å; A278-V281 PolarHBondContact O-N 3.48Å; A278-T282 WeakPolarHBondContact O-CB 3.45Å; A278-T282 PolarHBondContact O-N 2.91Å; A278-T282 PolarHBondContact O-OG1 2.95Å |
| 279 | S | 65.6 | Low | 64.6 | Low | 74 Ų | 74 | 107.8 Ų | 107.8 | 52% | 0.517 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -67.1 | -36.2 | 175.4 | -57.8 | 0 | 0 | 0 | 0 | 112 | L275 S276 V281 T282 A283 | L275-S279 WeakPolarHBondContact O-CB 3.4Å; L275-S279 PolarHBondContact O-N 3.2Å; L275-S279 PolarHBondContact O-OG 3.47Å; S276-S279 PolarHBondContact O-N 3.27Å; S279-V281 VanDerWaalsContact C-N 3.26Å; S279-V281 PolarHBondContact O-N 3.24Å; S279-T282 WeakPolarHBondContact CA-OG1 3.44Å; S279-T282 PolarHBondContact O-N 3.26Å; S279-A283 PolarHBondContact O-N 2.81Å |
| 280 | L | 64.6 | Low | 62.5 | Low | 144 Ų | 144 | 109.7 Ų | 109.7 | 75% | 0.754 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -65.7 | -28 | 175.8 | -162.7 | 130.1 | 0 | 0 | 0 | 113 | S276 C277 | S276-L280 WeakPolarHBondContact O-CB 3.46Å; S276-L280 PolarHBondContact O-N 3.29Å; C277-L280 PolarHBondContact O-N 2.91Å |
| 281 | V | 56.2 | Low | 60.5 | Low | 120 Ų | 120 | 110.5 Ų | 110.5 | 73% | 0.727 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -91.8 | -14.2 | 177.2 | 177.4 | 0 | 0 | 0 | 0 | 112.5 | C277 A278 S279 | C277-V281 WeakPolarHBondContact O-CG2 3.31Å; C277-V281 PolarHBondContact O-N 2.97Å; A278-V281 PolarHBondContact O-N 3.48Å; S279-V281 VanDerWaalsContact C-N 3.26Å; S279-V281 PolarHBondContact O-N 3.24Å |
| 282 | T | 52.6 | Low | 58.5 | Low | 107 Ų | 107 | 115.4 Ų | 115.4 | 66% | 0.656 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -109.7 | 0.5 | 179 | 46.9 | 0 | 0 | 0 | 0 | 114.1 | A278 S279 P284 | A278-T282 WeakPolarHBondContact O-CB 3.45Å; A278-T282 PolarHBondContact O-N 2.91Å; A278-T282 PolarHBondContact O-OG1 2.95Å; S279-T282 WeakPolarHBondContact CA-OG1 3.44Å; S279-T282 PolarHBondContact O-N 3.26Å; T282-P284 WeakPolarHBondContact O-CD 3.4Å; T282-P284 VanDerWaalsContact O-N 3.08Å |
| 283 | A | 37.8 | Very low | 56.8 | Low | 65 Ų | 65 | 113.3 Ų | 113.3 | 54% | 0.537 | 62% | 0.622 | S | S | . | * | S | Bend | trans | -57.1 | 114.5 | 157.9 | 0 | 0 | 0 | 0 | 0 | 106.8 | S279 E285 | S279-A283 PolarHBondContact O-N 2.81Å; A283-E285 PolarHBondContact O-N 3.46Å; A283-E285 VanDerWaalsContact O-N 3.13Å |
| 284 | P | 40.5 | Very low | 55.2 | Low | 108 Ų | 108 | 116.8 Ų | 116.8 | 70% | 0.701 | 64% | 0.64 | S | S | * | * | trans | -56.1 | 127.2 | 172 | 23.8 | -29.9 | 0 | 0 | 0 | 105.8 | T282 Q286 | T282-P284 WeakPolarHBondContact O-CD 3.4Å; T282-P284 VanDerWaalsContact O-N 3.08Å; P284-Q286 PolarHBondContact O-N 3.36Å | ||
| 285 | E | 42.6 | Very low | 53.2 | Low | 187 Ų | 187 | 118.1 Ų | 118.1 | 87% | 0.874 | 65% | 0.654 | S | S | * | * | trans | -56.3 | 88.8 | 164.5 | -87 | -152.9 | 163.2 | 0 | 0 | 107.2 | A283 H287 | A283-E285 PolarHBondContact O-N 3.46Å; A283-E285 VanDerWaalsContact O-N 3.13Å; E285-H287 PolarHBondContact O-N 2.82Å | ||
| 286 | Q | 42.9 | Very low | 51.4 | Low | 154 Ų | 154 | 114.9 Ų | 114.9 | 72% | 0.72 | 64% | 0.644 | S | S | * | * | trans | -63.5 | 101.1 | 147 | -71.7 | -166.4 | -64.1 | 0 | 0 | 103.4 | P284 I288 | P284-Q286 PolarHBondContact O-N 3.36Å; Q286-I288 HydrophobicContact CB-CG1 4.47Å; Q286-I288 PolarHBondContact O-N 3.49Å | ||
| 287 | H | 40.9 | Very low | 50 | Low | 166 Ų | 166 | 117.5 Ų | 117.5 | 77% | 0.769 | 65% | 0.652 | S | S | * | * | trans | -55.7 | 37.1 | 170.2 | 80 | -65.5 | 0 | 0 | 0 | 113 | E285 K289 | E285-H287 PolarHBondContact O-N 2.82Å; H287-K289 PolarHBondContact O-N 3.07Å | ||
| 288 | I | 42.2 | Very low | 48.8 | Very low | 127 Ų | 127 | 122.9 Ų | 122.9 | 65% | 0.651 | 67% | 0.668 | S | S | * | * | trans | -78.1 | 81.6 | 167.1 | -56.4 | 173.6 | 0 | 0 | 0 | 105.5 | Q286 T290 | Q286-I288 HydrophobicContact CB-CG1 4.47Å; Q286-I288 PolarHBondContact O-N 3.49Å; I288-T290 PolarHBondContact O-N 3.01Å | ||
| 289 | K | 40.7 | Very low | 47.6 | Very low | 163 Ų | 163 | 126.9 Ų | 126.9 | 71% | 0.709 | 68% | 0.68 | S | S | * | * | trans | -8.4 | 90.4 | 154.2 | -166.4 | 179.8 | -174.8 | -176.5 | 0 | 111 | H287 Q291 | H287-K289 PolarHBondContact O-N 3.07Å; K289-Q291 HydrophobicContact CG-CB 4.21Å; K289-Q291 HydrophobicContact CG-CG 4.19Å; K289-Q291 PolarHBondContact O-N 3.44Å | ||
| 290 | T | 45.8 | Very low | 46.8 | Very low | 137 Ų | 137 | 130.5 Ų | 130.5 | 84% | 0.84 | 69% | 0.686 | S | S | * | * | trans | -70.6 | 69 | 162.9 | 42.9 | 0 | 0 | 0 | 0 | 107.7 | I288 L292 | I288-T290 PolarHBondContact O-N 3.01Å; T290-L292 PolarHBondContact O-N 3.34Å | ||
| 291 | Q | 41.8 | Very low | 45.9 | Very low | 107 Ų | 107 | 130 Ų | 130 | 50% | 0.5 | 68% | 0.682 | S | S | . | * | trans | -88.9 | 87.6 | 157.3 | -98.6 | -148.5 | -9.9 | 0 | 0 | 107.5 | K289 | K289-Q291 HydrophobicContact CG-CB 4.21Å; K289-Q291 HydrophobicContact CG-CG 4.19Å; K289-Q291 PolarHBondContact O-N 3.44Å | ||
| 292 | L | 46.8 | Very low | 45.6 | Very low | 172 Ų | 172 | 131.7 Ų | 131.7 | 90% | 0.901 | 68% | 0.682 | S | S | * | * | trans | -92.6 | 30.5 | 148 | -91.7 | 97 | 0 | 0 | 0 | 111 | T290 I294 | T290-L292 PolarHBondContact O-N 3.34Å; L292-I294 PolarHBondContact O-N 2.93Å | ||
| 293 | S | 47.5 | Very low | 45.5 | Very low | 78 Ų | 78 | 133 Ų | 133 | 55% | 0.545 | 68% | 0.68 | S | S | . | * | trans | -90 | 94.3 | 162.7 | -173.2 | 0 | 0 | 0 | 0 | 108.2 | N295 | S293-N295 PolarHBondContact O-N 2.92Š| ||
| 294 | I | 51.6 | Low | 46 | Very low | 168 Ų | 168 | 134.6 Ų | 134.6 | 86% | 0.862 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -39.6 | 106.1 | 153.8 | -77.5 | 164.5 | 0 | 0 | 0 | 107.8 | L292 | L292-I294 PolarHBondContact O-N 2.93Š|
| 295 | N | 45.3 | Very low | 46.3 | Very low | 130 Ų | 130 | 138 Ų | 138 | 70% | 0.695 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 151 | 5.3 | 161.3 | -163.3 | 54.3 | 0 | 0 | 0 | 113.7 | S293 D297 | S293-N295 PolarHBondContact O-N 2.92Å; N295-D297 PolarHBondContact O-N 3Å |
| 296 | G | 47 | Very low | 46.5 | Very low | 26 Ų | 26 | 137.9 Ų | 137.9 | 27% | 0.268 | 69% | 0.686 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.3 | -2.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | K298 | G296-K298 PolarHBondContact O-N 3.42Š|
| 297 | D | 47.7 | Very low | 46.3 | Very low | 130 Ų | 130 | 136.4 Ų | 136.4 | 70% | 0.695 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -80 | -14.8 | -170.2 | -168.2 | 31.1 | 0 | 0 | 0 | 114.3 | N295 E299 | N295-D297 PolarHBondContact O-N 3Å; D297-E299 VanDerWaalsContact C-N 3.34Å |
| 298 | K | 49.7 | Very low | 46.1 | Very low | 177 Ų | 177 | 135.7 Ų | 135.7 | 77% | 0.77 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -74.3 | -26.3 | 177 | -99.6 | 178.3 | 175.4 | 170.1 | 0 | 113.7 | G296 | G296-K298 PolarHBondContact O-N 3.42Å |
| 299 | E | 50.7 | Low | 46.3 | Very low | 124 Ų | 124 | 133.4 Ų | 133.4 | 58% | 0.579 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -85.8 | -23.4 | -168.7 | -41.4 | -168 | -139.9 | 0 | 0 | 111.2 | D297 H303 | D297-E299 VanDerWaalsContact C-N 3.34Å; E299-H303 PolarHBondContact O-CD2 3.46Å |
| 300 | F | 47.1 | Very low | 46 | Very low | 151 Ų | 151 | 134.8 Ų | 134.8 | 66% | 0.662 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -78.8 | -32.6 | -178.5 | -152.2 | -98.9 | 0 | 0 | 0 | 112.8 | H303 V304 | F300-H303 PolarHBondContact O-N 3.38Å; F300-V304 HydrophobicContact CD1-CG2 4.19Å; F300-V304 HydrophobicContact CE1-CG2 4.21Å; F300-V304 WeakPolarHBondContact O-CG2 3.24Å; F300-V304 PolarHBondContact O-N 2.79Å |
| 301 | M | 47.1 | Very low | 45.3 | Very low | 134 Ų | 134 | 137 Ų | 137 | 66% | 0.66 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -72.2 | -28.2 | 178.9 | -71 | -170.2 | 66.5 | 0 | 0 | 113.5 | H303 V304 | M301-H303 VanDerWaalsContact C-N 3.32Å; M301-V304 PolarHBondContact O-N 2.86Å |
| 302 | E | 50.2 | Low | 45.4 | Very low | 155 Ų | 155 | 140 Ų | 140 | 72% | 0.724 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -73.5 | -26.6 | 178.6 | -164.5 | 170.4 | -174.9 | 0 | 0 | 112.1 | ||
| 303 | H | 49 | Very low | 44.7 | Very low | 135 Ų | 135 | 137.3 Ų | 137.3 | 63% | 0.625 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -81.9 | -25.5 | 174.8 | -64.3 | -52.3 | 0 | 0 | 0 | 113.7 | E299 F300 M301 | E299-H303 PolarHBondContact O-CD2 3.46Å; F300-H303 PolarHBondContact O-N 3.38Å; M301-H303 VanDerWaalsContact C-N 3.32Å |
| 304 | V | 49.7 | Very low | 44.1 | Very low | 97 Ų | 97 | 138.2 Ų | 138.2 | 59% | 0.588 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -76 | -27.4 | -179.6 | 173.7 | 0 | 0 | 0 | 0 | 112.3 | F300 M301 K306 | F300-V304 HydrophobicContact CD1-CG2 4.19Å; F300-V304 HydrophobicContact CE1-CG2 4.21Å; F300-V304 WeakPolarHBondContact O-CG2 3.24Å; F300-V304 PolarHBondContact O-N 2.79Å; M301-V304 PolarHBondContact O-N 2.86Å; V304-K306 PolarHBondContact O-N 2.91Å |
| 305 | H | 46.4 | Very low | 43.3 | Very low | 179 Ų | 179 | 139.5 Ų | 139.5 | 83% | 0.829 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.9 | -1.1 | -179.5 | -106 | 63.7 | 0 | 0 | 0 | 115.3 | ||
| 306 | K | 46.6 | Very low | 43.1 | Very low | 186 Ų | 186 | 140.2 Ų | 140.2 | 81% | 0.809 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.6 | 14 | -173.2 | -152.5 | 175.8 | 177.8 | 178.1 | 0 | 115.6 | V304 | V304-K306 PolarHBondContact O-N 2.91Š|
| 307 | V | 39 | Very low | 42.7 | Very low | 123 Ų | 123 | 143.6 Ų | 143.6 | 75% | 0.745 | 74% | 0.742 | S | S | * | * | trans | -130 | 100.7 | 178.3 | -149.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 308 | N | 35.6 | Very low | 42.1 | Very low | 151 Ų | 151 | 143.9 Ų | 143.9 | 81% | 0.807 | 75% | 0.748 | S | S | * | * | trans | -74.4 | 171 | 167.2 | -145.8 | 12.9 | 0 | 0 | 0 | 109.7 | ||||
| 309 | P | 47.4 | Very low | 41.4 | Very low | 78 Ų | 78 | 140.6 Ų | 140.6 | 51% | 0.506 | 75% | 0.747 | S | S | . | * | -107.2 | 169.7 | -116.6 | 28.9 | -7.7 | 0 | 0 | 0 | 113.9 | |||||
| 310 | F | 33.4 | Very low | 40.6 | Very low | 193 Ų | 193 | 141 Ų | 141 | 85% | 0.846 | 76% | 0.758 | S | S | * | * | trans | 74.1 | 112.3 | 169 | -49.7 | -77.8 | 0 | 0 | 0 | 118 | ||||
| 311 | H | 31.5 | Very low | 39.9 | Very low | 184 Ų | 184 | 143.5 Ų | 143.5 | 85% | 0.852 | 77% | 0.769 | S | S | * | * | -169 | 113.5 | 106.3 | -139.2 | -98 | 0 | 0 | 0 | 110.1 | |||||
| 312 | L | 44.2 | Very low | 39.2 | Very low | 170 Ų | 170 | 146.4 Ų | 146.4 | 89% | 0.89 | 78% | 0.78 | S | S | * | * | trans | -67.4 | 133.7 | 165.6 | -83.5 | 160.1 | 0 | 0 | 0 | 109.2 | ||||
| 313 | S | 32 | Very low | 38.2 | Very low | 115 Ų | 115 | 144 Ų | 144 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | trans | -158.6 | 117.1 | 150.7 | -139.8 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 314 | S | 35.1 | Very low | 37.4 | Very low | 97 Ų | 97 | 145.7 Ų | 145.7 | 68% | 0.678 | 79% | 0.789 | S | S | * | * | trans | 66.4 | 89.8 | 149.3 | 177.9 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 315 | M | 35 | Very low | 36.6 | Very low | 195 Ų | 195 | 149.8 Ų | 149.8 | 96% | 0.961 | 80% | 0.802 | S | S | * | * | trans | -94.8 | 118.1 | 148.5 | -143.1 | 173 | -171.4 | 0 | 0 | 107.8 | A317 | M315-A317 PolarHBondContact O-N 3Š| ||
| 316 | I | 40.7 | Very low | 36.1 | Very low | 144 Ų | 144 | 145.4 Ų | 145.4 | 74% | 0.738 | 80% | 0.797 | S | S | * | * | trans | -79.2 | 114.6 | 178.4 | -69 | 164.9 | 0 | 0 | 0 | 108.2 | ||||
| 317 | A | 37.9 | Very low | 35.6 | Very low | 98 Ų | 98 | 145.5 Ų | 145.5 | 81% | 0.81 | 80% | 0.8 | S | S | * | * | trans | -87.5 | 124.9 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | M315 | M315-A317 PolarHBondContact O-N 3Š| ||
| 318 | V | 36.2 | Very low | 35.7 | Very low | 135 Ų | 135 | 149.2 Ų | 149.2 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | -87.8 | 113 | 174.7 | 177.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 319 | S | 33.7 | Very low | 35.8 | Very low | 108 Ų | 108 | 146.7 Ų | 146.7 | 76% | 0.755 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -89.9 | 130.1 | 169.3 | 176.5 | 0 | 0 | 0 | 0 | 110 | K321 | S319-K321 PolarHBondContact O-N 3.16Š|
| 320 | V | 35.7 | Very low | 36.1 | Very low | 133 Ų | 133 | 146.1 Ų | 146.1 | 81% | 0.806 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 120.2 | 172.2 | 170.6 | 0 | 0 | 0 | 0 | 108.5 | Q322 | V320-Q322 PolarHBondContact O-N 3.14Š|
| 321 | K | 32.1 | Very low | 37 | Very low | 204 Ų | 204 | 143.3 Ų | 143.3 | 89% | 0.887 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 121.2 | 171.8 | -76.8 | -178.4 | 174.5 | -179.2 | 0 | 109.9 | S319 | S319-K321 PolarHBondContact O-N 3.16Š|
| 322 | Q | 32.1 | Very low | 38 | Very low | 194 Ų | 194 | 142.3 Ų | 142.3 | 91% | 0.907 | 82% | 0.819 | S | S | * | * | trans | -113.2 | 127.4 | 150.6 | -145.7 | 172.4 | -1.5 | 0 | 0 | 107.7 | V320 | V320-Q322 PolarHBondContact O-N 3.14Š| ||
| 323 | S | 29.3 | Very low | 38 | Very low | 105 Ų | 105 | 140.1 Ų | 140.1 | 73% | 0.734 | 82% | 0.815 | S | S | * | * | trans | -82.5 | 158.9 | -174.4 | -170.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 324 | E | 32.3 | Very low | 39.3 | Very low | 171 Ų | 171 | 141.1 Ų | 141.1 | 80% | 0.799 | 82% | 0.816 | S | S | * | * | trans | 93.9 | 97 | 165.3 | -63.9 | 179.8 | 116.9 | 0 | 0 | 118.1 | ||||
| 325 | E | 33.3 | Very low | 39.9 | Very low | 182 Ų | 182 | 145.9 Ų | 145.9 | 85% | 0.85 | 82% | 0.824 | S | S | * | * | 50.7 | 123.6 | 126.5 | -86.7 | -173.7 | 133.4 | 0 | 0 | 122.1 | |||||
| 326 | A | 35.1 | Very low | 40.9 | Very low | 88 Ų | 88 | 142.5 Ų | 142.5 | 73% | 0.727 | 81% | 0.814 | S | S | * | * | trans | 92 | 129.7 | 133.5 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 327 | Q | 35.6 | Very low | 41.2 | Very low | 188 Ų | 188 | 142.3 Ų | 142.3 | 88% | 0.879 | 82% | 0.815 | S | S | * | * | trans | 98.5 | 98.1 | 157.9 | -63.2 | -178.6 | 11.3 | 0 | 0 | 118.5 | ||||
| 328 | E | 42.6 | Very low | 42.1 | Very low | 201 Ų | 201 | 145.1 Ų | 145.1 | 94% | 0.939 | 82% | 0.815 | S | S | * | * | trans | -32.4 | 122.7 | 145 | -169.7 | 173.6 | -169.6 | 0 | 0 | 114.4 | ||||
| 329 | A | 37.1 | Very low | 42.9 | Very low | 98 Ų | 98 | 145.8 Ų | 145.8 | 81% | 0.81 | 81% | 0.814 | S | S | * | * | trans | -156.1 | 111.4 | 161.5 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 330 | G | 53.3 | Low | 44.1 | Very low | 66 Ų | 66 | 150 Ų | 150 | 68% | 0.68 | 82% | 0.819 | S | S | * | * | 94.4 | 127.7 | 94.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 331 | P | 53.1 | Low | 44.4 | Very low | 134 Ų | 134 | 150 Ų | 150 | 87% | 0.87 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 145.7 | -170 | 26.1 | -32 | 0 | 0 | 0 | 113.8 | ||
| 332 | L | 51.3 | Low | 45 | Very low | 163 Ų | 163 | 146.2 Ų | 146.2 | 85% | 0.853 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 138.1 | -175.4 | -94.3 | 75 | 0 | 0 | 0 | 113.4 | ||
| 333 | P | 44.2 | Very low | 45.3 | Very low | 124 Ų | 124 | 147.2 Ų | 147.2 | 81% | 0.805 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 147.3 | 168.3 | 28.2 | -30.7 | 0 | 0 | 0 | 112.1 | ||
| 334 | V | 59.7 | Low | 46.1 | Very low | 135 Ų | 135 | 149.4 Ų | 149.4 | 82% | 0.818 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 137.8 | -173 | 172 | 0 | 0 | 0 | 0 | 112.5 | V336 | V334-V336 PolarHBondContact O-N 3.21Š|
| 335 | K | 48.2 | Very low | 46.9 | Very low | 197 Ų | 197 | 148.2 Ų | 148.2 | 86% | 0.857 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 125.5 | 172.5 | -83.3 | 177.7 | 173.3 | 178 | 0 | 111 | ||
| 336 | V | 55 | Low | 47.6 | Very low | 125 Ų | 125 | 146.3 Ų | 146.3 | 76% | 0.758 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 117.5 | 169.6 | -175 | 0 | 0 | 0 | 0 | 108.1 | V334 | V334-V336 PolarHBondContact O-N 3.21Š|
| 337 | D | 48.5 | Very low | 48.4 | Very low | 139 Ų | 139 | 149.8 Ų | 149.8 | 74% | 0.743 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 117.5 | 173.7 | -86.8 | -46.3 | 0 | 0 | 0 | 110.6 | N339 | D337-N339 PolarHBondContact O-N 3.03Š|
| 338 | L | 56.5 | Low | 49.2 | Very low | 157 Ų | 157 | 147.4 Ų | 147.4 | 82% | 0.822 | 85% | 0.848 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.5 | 6.9 | 179.2 | -88.2 | 88.5 | 0 | 0 | 0 | 114.7 | K340 | L338-K340 PolarHBondContact O-N 2.95Š|
| 339 | N | 53 | Low | 49.6 | Very low | 149 Ų | 149 | 143.8 Ų | 143.8 | 80% | 0.797 | 84% | 0.842 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.3 | 19.3 | -174.5 | -68.1 | -8.7 | 0 | 0 | 0 | 114.7 | D337 | D337-N339 PolarHBondContact O-N 3.03Š|
| 340 | K | 58 | Low | 50.5 | Low | 196 Ų | 196 | 147.1 Ų | 147.1 | 85% | 0.852 | 85% | 0.845 | S | S | * | * | trans | -136.1 | 65.2 | 171.9 | -73.2 | -172.1 | 179 | 175 | 0 | 112.3 | L338 | L338-K340 PolarHBondContact O-N 2.95Š| ||
| 341 | T | 42.5 | Very low | 50.3 | Low | 133 Ų | 133 | 153.3 Ų | 153.3 | 82% | 0.816 | 86% | 0.857 | S | S | * | * | trans | -147.5 | 79.5 | 147.1 | -15.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 342 | C | 43.9 | Very low | 50.1 | Low | 126 Ų | 126 | 154.9 Ų | 154.9 | 85% | 0.851 | 86% | 0.856 | S | S | * | * | trans | -94.6 | 102.4 | 151.5 | -53.8 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 343 | V | 39.9 | Very low | 49.9 | Very low | 215 Ų | 215 | 154.2 Ų | 154.2 | 100% | 1.303 | 86% | 0.857 | S | S | * | * | trans | -153.8 | 0 | 145.6 | -179.7 | 0 | 0 | 0 | 0 | 107.3 |
Retrieved 343 of 343 residues in 355.3 ms
(Link to these results)