| 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 | 48.6 | Very low | 57.3 | Low | 231 Ų | 231 | 144.7 Ų | 144.7 | 100% | 1.138 | 72% | 0.719 | S | S | * | * | 0 | 77.5 | 0 | -113.9 | -122.8 | 159.8 | 0 | 0 | 104.9 | |||||
| 2 | D | 53.8 | Low | 58.6 | Low | 139 Ų | 139 | 137.1 Ų | 137.1 | 74% | 0.743 | 71% | 0.705 | S | S | * | * | trans | -135.6 | 11.1 | -158.9 | -53.6 | -69.1 | 0 | 0 | 0 | 113.5 | Q4 | D2-Q4 PolarHBondContact O-N 3.29Š| ||
| 3 | S | 57.4 | Low | 60.4 | Low | 108 Ų | 108 | 135.8 Ų | 135.8 | 76% | 0.755 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.3 | -2.8 | -171.5 | -52.9 | 0 | 0 | 0 | 0 | 115.4 | ||
| 4 | Q | 56.8 | Low | 62.1 | Low | 169 Ų | 169 | 137.9 Ų | 137.9 | 79% | 0.79 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.6 | -11.4 | -176.1 | -93.9 | -156.3 | -37.8 | 0 | 0 | 115.2 | D2 | D2-Q4 PolarHBondContact O-N 3.29Š|
| 5 | Q | 55.9 | Low | 63.7 | Low | 154 Ų | 154 | 134.2 Ų | 134.2 | 72% | 0.72 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.5 | -20.8 | -171.8 | -163.7 | 167.3 | 15.1 | 0 | 0 | 113.5 | ||
| 6 | E | 57 | Low | 65.1 | Low | 142 Ų | 142 | 131.3 Ų | 131.3 | 66% | 0.664 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.5 | -39.6 | -176.5 | -61.5 | -175.9 | 149.2 | 0 | 0 | 111.6 | L8 R9 F10 | E6-L8 PolarHBondContact O-N 2.99Å; E6-R9 PolarHBondContact O-N 2.85Å; E6-F10 WeakPolarHBondContact O-CD2 3.49Å; E6-F10 WeakPolarHBondContact O-CE2 3.09Å |
| 7 | D | 58.4 | Low | 66.6 | Low | 120 Ų | 120 | 130.3 Ų | 130.3 | 64% | 0.642 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.4 | -26 | -177.6 | -73.5 | -28.3 | 0 | 0 | 0 | 114.1 | P11 | D7-P11 WeakPolarHBondContact O-CD 3.48Š|
| 8 | L | 57.4 | Low | 68.1 | Low | 139 Ų | 139 | 130.8 Ų | 130.8 | 73% | 0.728 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.5 | -12.5 | -177.2 | -73.6 | 158.4 | 0 | 0 | 0 | 114.1 | E6 P11 | E6-L8 PolarHBondContact O-N 2.99Å; L8-P11 WeakPolarHBondContact O-CD 3.44Å |
| 9 | R | 56.2 | Low | 69.4 | Low | 212 Ų | 212 | 131.2 Ų | 131.2 | 80% | 0.8 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.6 | -19.3 | 176.2 | -81.5 | -173 | 164.2 | -171 | -2.5 | 113.8 | E6 | E6-R9 PolarHBondContact O-N 2.85Š|
| 10 | F | 58.6 | Low | 70.6 | Confident | 107 Ų | 107 | 127 Ų | 127 | 47% | 0.469 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -71.2 | -41 | 178.5 | -66.7 | -78.2 | 0 | 0 | 0 | 115.7 | E6 G12 M13 | E6-F10 WeakPolarHBondContact O-CD2 3.49Å; E6-F10 WeakPolarHBondContact O-CE2 3.09Å; F10-G12 VanDerWaalsContact C-N 3.35Å; F10-G12 PolarHBondContact O-N 3.04Å; F10-M13 PolarHBondContact O-N 2.99Å |
| 11 | P | 70.1 | Confident | 71.8 | Confident | 71 Ų | 71 | 127.1 Ų | 127.1 | 46% | 0.461 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -64.4 | -33.1 | -169.1 | 21.7 | -32.4 | 0 | 0 | 0 | 114.2 | D7 L8 M13 V15 | D7-P11 WeakPolarHBondContact O-CD 3.48Å; L8-P11 WeakPolarHBondContact O-CD 3.44Å; P11-M13 PolarHBondContact O-N 3.03Å; P11-V15 WeakPolarHBondContact O-CG2 3.36Å; P11-V15 PolarHBondContact O-N 3.06Å |
| 12 | G | 72.8 | Confident | 74 | Confident | 53 Ų | 53 | 119.5 Ų | 119.5 | 55% | 0.546 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -66.7 | -34.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114 | F10 S16 | F10-G12 VanDerWaalsContact C-N 3.35Å; F10-G12 PolarHBondContact O-N 3.04Å; G12-S16 PolarHBondContact O-N 2.76Å |
| 13 | M | 81.7 | Confident | 76.1 | Confident | 120 Ų | 120 | 114.6 Ų | 114.6 | 59% | 0.591 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -71.6 | -40.4 | -179.9 | -175.8 | 171.2 | 60.5 | 0 | 0 | 111.8 | F10 P11 S16 L17 | F10-M13 PolarHBondContact O-N 2.99Å; P11-M13 PolarHBondContact O-N 3.03Å; M13-S16 PolarHBondContact O-N 3.46Å; M13-L17 WeakPolarHBondContact O-CB 3.15Å; M13-L17 PolarHBondContact O-N 3.04Å |
| 14 | W | 84.4 | Confident | 78 | Confident | 166 Ų | 166 | 114 Ų | 114 | 63% | 0.629 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -65.6 | -38.1 | 178.2 | -68.1 | 106.4 | 0 | 0 | 0 | 112.7 | L17 Y18 | W14-L17 PolarHBondContact O-N 2.87Å; W14-Y18 WeakPolarHBondContact O-CB 3.26Å; W14-Y18 PolarHBondContact O-N 3.42Å |
| 15 | V | 86.8 | Confident | 79.9 | Confident | 82 Ų | 82 | 108 Ų | 108 | 50% | 0.497 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -65.1 | -46.9 | 176.7 | 175.2 | 0 | 0 | 0 | 0 | 110.6 | P11 L17 Y18 F19 | P11-V15 WeakPolarHBondContact O-CG2 3.36Å; P11-V15 PolarHBondContact O-N 3.06Å; V15-L17 VanDerWaalsContact C-N 3.35Å; V15-L17 PolarHBondContact O-N 2.83Å; V15-Y18 PolarHBondContact O-N 2.72Å; V15-F19 HydrophobicContact CG1-CD2 3.8Å; V15-F19 HydrophobicContact CG1-CE2 3.78Å; V15-F19 VanDerWaalsContact O-CD2 3.3Å; V15-F19 WeakPolarHBondContact O-CD2 3.21Å; V15-F19 PolarHBondContact O-N 3.43Å |
| 16 | S | 85.8 | Confident | 81.8 | Confident | 88 Ų | 88 | 104.7 Ų | 104.7 | 62% | 0.615 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -60.9 | -43.2 | 176.8 | -173 | 0 | 0 | 0 | 0 | 112.1 | G12 M13 Y18 F19 G20 | G12-S16 PolarHBondContact O-N 2.76Å; M13-S16 PolarHBondContact O-N 3.46Å; S16-Y18 VanDerWaalsContact C-N 3.34Å; S16-Y18 PolarHBondContact O-N 3.21Å; S16-F19 PolarHBondContact O-N 2.86Å; S16-G20 PolarHBondContact O-N 3.33Å |
| 17 | L | 91.1 | Very high | 83.8 | Confident | 114 Ų | 114 | 103 Ų | 103 | 60% | 0.597 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -63.3 | -40.2 | 177.4 | -170.4 | 67.7 | 0 | 0 | 0 | 112.1 | M13 W14 V15 G20 F21 | M13-L17 WeakPolarHBondContact O-CB 3.15Å; M13-L17 PolarHBondContact O-N 3.04Å; W14-L17 PolarHBondContact O-N 2.87Å; V15-L17 VanDerWaalsContact C-N 3.35Å; V15-L17 PolarHBondContact O-N 2.83Å; L17-G20 PolarHBondContact O-N 2.97Å; L17-F21 WeakPolarHBondContact O-CB 3.32Å; L17-F21 PolarHBondContact O-N 2.89Å |
| 18 | Y | 92.5 | Very high | 85.6 | Confident | 139 Ų | 139 | 101.7 Ų | 101.7 | 55% | 0.545 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64.8 | -46 | 177.5 | -178.9 | -105.4 | 0 | 0 | 0 | 112 | W14 V15 S16 G20 F21 L22 | W14-Y18 WeakPolarHBondContact O-CB 3.26Å; W14-Y18 PolarHBondContact O-N 3.42Å; V15-Y18 PolarHBondContact O-N 2.72Å; S16-Y18 VanDerWaalsContact C-N 3.34Å; S16-Y18 PolarHBondContact O-N 3.21Å; Y18-G20 VanDerWaalsContact C-N 3.32Å; Y18-G20 PolarHBondContact O-N 3.48Å; Y18-F21 PolarHBondContact O-N 2.96Å; Y18-L22 HydrophobicContact CD1-CD1 3.71Å; Y18-L22 HydrophobicContact CD1-CG 4.21Å; Y18-L22 HydrophobicContact CE1-CD1 3.2Å; Y18-L22 HydrophobicContact CE1-CD2 4.48Å; Y18-L22 HydrophobicContact CE1-CG 3.87Å; Y18-L22 HydrophobicContact CE2-CD1 4.49Å; Y18-L22 HydrophobicContact CE2-CD2 4.48Å; Y18-L22 HydrophobicContact CE2-CG 4.31Å; Y18-L22 WeakPolarHBondContact O-CB 3.24Å; Y18-L22 WeakPolarHBondContact O-CG 3.49Å; Y18-L22 PolarHBondContact O-N 3.46Å |
| 19 | F | 92.7 | Very high | 87.6 | Confident | 139 Ų | 139 | 99.3 Ų | 99.3 | 61% | 0.61 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -64.7 | -36.2 | 175.5 | -84.3 | -74.6 | 0 | 0 | 0 | 112.4 | V15 S16 L22 G23 | V15-F19 HydrophobicContact CG1-CD2 3.8Å; V15-F19 HydrophobicContact CG1-CE2 3.78Å; V15-F19 VanDerWaalsContact O-CD2 3.3Å; V15-F19 WeakPolarHBondContact O-CD2 3.21Å; V15-F19 PolarHBondContact O-N 3.43Å; S16-F19 PolarHBondContact O-N 2.86Å; F19-L22 PolarHBondContact O-N 3.22Å; F19-G23 PolarHBondContact O-N 3.35Å |
| 20 | G | 94.4 | Very high | 89.5 | Confident | 47 Ų | 47 | 90.8 Ų | 90.8 | 49% | 0.485 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.1 | -45.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | S16 L17 Y18 G23 L24 | S16-G20 PolarHBondContact O-N 3.33Å; L17-G20 PolarHBondContact O-N 2.97Å; Y18-G20 VanDerWaalsContact C-N 3.32Å; Y18-G20 PolarHBondContact O-N 3.48Å; G20-G23 PolarHBondContact O-N 2.81Å; G20-L24 WeakPolarHBondContact O-CB 3.37Å; G20-L24 PolarHBondContact O-N 3.38Å |
| 21 | F | 95.3 | Very high | 91.3 | Very high | 129 Ų | 129 | 87.5 Ų | 87.5 | 57% | 0.566 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -66.1 | -41.5 | 176.9 | -172 | -101.7 | 0 | 0 | 0 | 112.1 | L17 Y18 G23 L24 C25 | L17-F21 WeakPolarHBondContact O-CB 3.32Å; L17-F21 PolarHBondContact O-N 2.89Å; Y18-F21 PolarHBondContact O-N 2.96Å; F21-G23 PolarHBondContact O-N 3.39Å; F21-L24 PolarHBondContact O-N 3.47Å; F21-C25 WeakPolarHBondContact CE1-SG 3.48Å; F21-C25 VanDerWaalsContact CZ-SG 3.54Å; F21-C25 WeakPolarHBondContact O-CB 3.42Å; F21-C25 PolarHBondContact O-N 3.11Å; F21-C25 PolarHBondContact O-SG 3.06Å; F21-C25 VanDerWaalsContact O-SG 3.35Å |
| 22 | L | 96.1 | Very high | 92.6 | Very high | 72 Ų | 72 | 87.3 Ų | 87.3 | 38% | 0.377 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.9 | -43.7 | 173.9 | -77.3 | -178.7 | 0 | 0 | 0 | 112.1 | Y18 F19 C25 S26 | Y18-L22 HydrophobicContact CD1-CD1 3.71Å; Y18-L22 HydrophobicContact CD1-CG 4.21Å; Y18-L22 HydrophobicContact CE1-CD1 3.2Å; Y18-L22 HydrophobicContact CE1-CD2 4.48Å; Y18-L22 HydrophobicContact CE1-CG 3.87Å; Y18-L22 HydrophobicContact CE2-CD1 4.49Å; Y18-L22 HydrophobicContact CE2-CD2 4.48Å; Y18-L22 HydrophobicContact CE2-CG 4.31Å; Y18-L22 WeakPolarHBondContact O-CB 3.24Å; Y18-L22 WeakPolarHBondContact O-CG 3.49Å; Y18-L22 PolarHBondContact O-N 3.46Å; F19-L22 PolarHBondContact O-N 3.22Å; L22-C25 PolarHBondContact O-N 3.21Å; L22-S26 WeakPolarHBondContact O-CB 3.48Å; L22-S26 PolarHBondContact O-N 2.96Å |
| 23 | G | 96.7 | Very high | 93.7 | Very high | 35 Ų | 35 | 89.2 Ų | 89.2 | 36% | 0.361 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.8 | -46.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | F19 G20 F21 S26 V27 | F19-G23 PolarHBondContact O-N 3.35Å; G20-G23 PolarHBondContact O-N 2.81Å; F21-G23 PolarHBondContact O-N 3.39Å; G23-S26 WeakPolarHBondContact O-CB 3.13Å; G23-S26 PolarHBondContact O-N 2.89Å; G23-V27 WeakPolarHBondContact O-CG2 3.32Å; G23-V27 PolarHBondContact O-N 3.27Å |
| 24 | L | 97.3 | Very high | 94.4 | Very high | 96 Ų | 96 | 89.2 Ų | 89.2 | 50% | 0.503 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.1 | -47.5 | 176.3 | -178.3 | 63.4 | 0 | 0 | 0 | 111.7 | G20 F21 S26 V27 I28 | G20-L24 WeakPolarHBondContact O-CB 3.37Å; G20-L24 PolarHBondContact O-N 3.38Å; F21-L24 PolarHBondContact O-N 3.47Å; L24-S26 VanDerWaalsContact C-N 3.27Å; L24-S26 PolarHBondContact O-N 2.84Å; L24-V27 PolarHBondContact O-N 2.99Å; L24-I28 HydrophobicContact CD1-CD1 3.97Å; L24-I28 HydrophobicContact CD1-CG1 4.24Å; L24-I28 HydrophobicContact CD2-CD1 4.43Å; L24-I28 HydrophobicContact CG-CD1 3.76Å; L24-I28 HydrophobicContact CG-CG1 4.42Å; L24-I28 WeakPolarHBondContact O-CB 3.39Å; L24-I28 VanDerWaalsContact O-CG1 3.25Å; L24-I28 WeakPolarHBondContact O-CG1 3.39Å; L24-I28 PolarHBondContact O-N 2.82Å |
| 25 | C | 96.2 | Very high | 94.9 | Very high | 43 Ų | 43 | 87.1 Ų | 87.1 | 29% | 0.291 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -59 | -39.5 | 175.8 | -77.5 | 0 | 0 | 0 | 0 | 111.7 | F21 L22 T29 | F21-C25 WeakPolarHBondContact CE1-SG 3.48Å; F21-C25 VanDerWaalsContact CZ-SG 3.54Å; F21-C25 WeakPolarHBondContact O-CB 3.42Å; F21-C25 PolarHBondContact O-N 3.11Å; F21-C25 PolarHBondContact O-SG 3.06Å; F21-C25 VanDerWaalsContact O-SG 3.35Å; L22-C25 PolarHBondContact O-N 3.21Å; C25-T29 VanDerWaalsContact O-CB 3.28Å; C25-T29 WeakPolarHBondContact O-CB 3.25Å; C25-T29 PolarHBondContact O-N 3.4Å; C25-T29 PolarHBondContact O-OG1 2.92Å |
| 26 | S | 96.8 | Very high | 95.2 | Very high | 84 Ų | 84 | 87.8 Ų | 87.8 | 59% | 0.587 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.7 | -47 | 176.5 | -175.9 | 0 | 0 | 0 | 0 | 111.7 | L22 G23 L24 T29 G30 | L22-S26 WeakPolarHBondContact O-CB 3.48Å; L22-S26 PolarHBondContact O-N 2.96Å; G23-S26 WeakPolarHBondContact O-CB 3.13Å; G23-S26 PolarHBondContact O-N 2.89Å; L24-S26 VanDerWaalsContact C-N 3.27Å; L24-S26 PolarHBondContact O-N 2.84Å; S26-T29 PolarHBondContact O-N 2.93Å; S26-G30 PolarHBondContact O-N 3.49Å |
| 27 | V | 98.1 | Very high | 95.6 | Very high | 106 Ų | 106 | 90 Ų | 90 | 64% | 0.642 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.5 | -44.5 | 178.1 | 172.3 | 0 | 0 | 0 | 0 | 111.3 | G23 L24 G31 | G23-V27 WeakPolarHBondContact O-CG2 3.32Å; G23-V27 PolarHBondContact O-N 3.27Å; L24-V27 PolarHBondContact O-N 2.99Å; V27-G31 PolarHBondContact O-N 3.13Å |
| 28 | I | 97.8 | Very high | 95.7 | Very high | 93 Ų | 93 | 91.6 Ų | 91.6 | 48% | 0.477 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.3 | -49.1 | 175.9 | -68.1 | 169 | 0 | 0 | 0 | 109.9 | L24 G31 C32 | L24-I28 HydrophobicContact CD1-CD1 3.97Å; L24-I28 HydrophobicContact CD1-CG1 4.24Å; L24-I28 HydrophobicContact CD2-CD1 4.43Å; L24-I28 HydrophobicContact CG-CD1 3.76Å; L24-I28 HydrophobicContact CG-CG1 4.42Å; L24-I28 WeakPolarHBondContact O-CB 3.39Å; L24-I28 VanDerWaalsContact O-CG1 3.25Å; L24-I28 WeakPolarHBondContact O-CG1 3.39Å; L24-I28 PolarHBondContact O-N 2.82Å; I28-G31 PolarHBondContact O-N 3.41Å; I28-C32 WeakPolarHBondContact O-CB 3.5Å; I28-C32 PolarHBondContact O-N 3.17Å; I28-C32 PolarHBondContact O-SG 3.08Å |
| 29 | T | 97.3 | Very high | 95.6 | Very high | 89 Ų | 89 | 91.3 Ų | 91.3 | 55% | 0.546 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.1 | -47 | -178.6 | -54 | 0 | 0 | 0 | 0 | 111.5 | C25 S26 C32 V33 | C25-T29 VanDerWaalsContact O-CB 3.28Å; C25-T29 WeakPolarHBondContact O-CB 3.25Å; C25-T29 PolarHBondContact O-N 3.4Å; C25-T29 PolarHBondContact O-OG1 2.92Å; S26-T29 PolarHBondContact O-N 2.93Å; T29-C32 PolarHBondContact O-N 3.48Å; T29-V33 WeakPolarHBondContact O-CG2 3.2Å; T29-V33 PolarHBondContact O-N 2.77Å |
| 30 | G | 97.2 | Very high | 95.4 | Very high | 33 Ų | 33 | 90.5 Ų | 90.5 | 34% | 0.34 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.9 | -44.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | S26 C32 V33 I34 | S26-G30 PolarHBondContact O-N 3.49Å; G30-C32 PolarHBondContact O-N 3.29Å; G30-V33 PolarHBondContact O-N 3.15Å; G30-I34 WeakPolarHBondContact O-CG1 3.4Å; G30-I34 PolarHBondContact O-N 2.94Å |
| 31 | G | 97.1 | Very high | 95 | Very high | 39 Ų | 39 | 90.7 Ų | 90.7 | 40% | 0.402 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.7 | -43.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | V27 I28 V33 I34 F35 | V27-G31 PolarHBondContact O-N 3.13Å; I28-G31 PolarHBondContact O-N 3.41Å; G31-V33 PolarHBondContact O-N 3.21Å; G31-I34 PolarHBondContact O-N 3.48Å; G31-F35 WeakPolarHBondContact O-CB 3.23Å; G31-F35 PolarHBondContact O-N 3.07Å |
| 32 | C | 95.8 | Very high | 94.4 | Very high | 66 Ų | 66 | 87.2 Ų | 87.2 | 45% | 0.446 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.4 | -42.7 | 175.9 | -74.5 | 0 | 0 | 0 | 0 | 112.1 | I28 T29 G30 F35 L36 | I28-C32 WeakPolarHBondContact O-CB 3.5Å; I28-C32 PolarHBondContact O-N 3.17Å; I28-C32 PolarHBondContact O-SG 3.08Å; T29-C32 PolarHBondContact O-N 3.48Å; G30-C32 PolarHBondContact O-N 3.29Å; C32-F35 PolarHBondContact O-N 3.39Å; C32-L36 VanDerWaalsContact O-CB 3.3Å; C32-L36 WeakPolarHBondContact O-CB 3.42Å; C32-L36 WeakPolarHBondContact O-CG 2.95Å; C32-L36 PolarHBondContact O-N 3.1Å |
| 33 | V | 96.9 | Very high | 93.7 | Very high | 94 Ų | 94 | 89.2 Ų | 89.2 | 57% | 0.57 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -62.8 | -46.9 | 177.5 | 172.6 | 0 | 0 | 0 | 0 | 111 | T29 G30 G31 L36 H37 | T29-V33 WeakPolarHBondContact O-CG2 3.2Å; T29-V33 PolarHBondContact O-N 2.77Å; G30-V33 PolarHBondContact O-N 3.15Å; G31-V33 PolarHBondContact O-N 3.21Å; V33-L36 PolarHBondContact O-N 3.32Å; V33-H37 WeakPolarHBondContact O-CB 3.28Å; V33-H37 PolarHBondContact O-N 3.31Å |
| 34 | I | 95.9 | Very high | 92.8 | Very high | 120 Ų | 120 | 95.1 Ų | 95.1 | 62% | 0.615 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -63.4 | -44.9 | 178.3 | -65.4 | 166.4 | 0 | 0 | 0 | 110.6 | G30 G31 L36 H37 W38 | G30-I34 WeakPolarHBondContact O-CG1 3.4Å; G30-I34 PolarHBondContact O-N 2.94Å; G31-I34 PolarHBondContact O-N 3.48Å; I34-L36 PolarHBondContact O-N 3.47Å; I34-H37 WeakPolarHBondContact O-CB 3.24Å; I34-H37 PolarHBondContact O-N 2.65Å; I34-W38 WeakPolarHBondContact O-CB 3.4Å; I34-W38 PolarHBondContact O-N 2.82Å |
| 35 | F | 95.8 | Very high | 92.1 | Very high | 122 Ų | 122 | 94.9 Ų | 94.9 | 54% | 0.535 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.8 | -42.6 | 178.7 | 179.4 | -102.1 | 0 | 0 | 0 | 112 | G31 C32 H37 W38 R39 | G31-F35 WeakPolarHBondContact O-CB 3.23Å; G31-F35 PolarHBondContact O-N 3.07Å; C32-F35 PolarHBondContact O-N 3.39Å; F35-H37 VanDerWaalsContact C-N 3.34Å; F35-W38 PolarHBondContact O-N 3.45Å; F35-R39 VanDerWaalsContact O-CB 3.23Å; F35-R39 WeakPolarHBondContact O-CB 3.49Å; F35-R39 PolarHBondContact O-N 3.24Å |
| 36 | L | 93.6 | Very high | 91.5 | Very high | 95 Ų | 95 | 98 Ų | 98 | 50% | 0.497 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.1 | -37.2 | 175.9 | -71.6 | 173.6 | 0 | 0 | 0 | 111.8 | C32 V33 I34 K40 | C32-L36 VanDerWaalsContact O-CB 3.3Å; C32-L36 WeakPolarHBondContact O-CB 3.42Å; C32-L36 WeakPolarHBondContact O-CG 2.95Å; C32-L36 PolarHBondContact O-N 3.1Å; V33-L36 PolarHBondContact O-N 3.32Å; I34-L36 PolarHBondContact O-N 3.47Å; L36-K40 WeakPolarHBondContact O-CB 3.12Å; L36-K40 VanDerWaalsContact O-CG 3.28Å; L36-K40 WeakPolarHBondContact O-CG 3.45Å; L36-K40 PolarHBondContact O-N 3.39Å |
| 37 | H | 93 | Very high | 90.5 | Very high | 136 Ų | 136 | 100.4 Ų | 100.4 | 63% | 0.63 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -63.5 | -48.8 | 174.2 | -176.7 | -90.7 | 0 | 0 | 0 | 111.2 | V33 I34 F35 K40 N41 | V33-H37 WeakPolarHBondContact O-CB 3.28Å; V33-H37 PolarHBondContact O-N 3.31Å; I34-H37 WeakPolarHBondContact O-CB 3.24Å; I34-H37 PolarHBondContact O-N 2.65Å; F35-H37 VanDerWaalsContact C-N 3.34Å; H37-K40 WeakPolarHBondContact O-CB 3.28Å; H37-K40 PolarHBondContact O-N 3.26Å; H37-N41 PolarHBondContact O-N 2.91Å |
| 38 | W | 92.9 | Very high | 89.5 | Confident | 146 Ų | 146 | 97.8 Ų | 97.8 | 55% | 0.553 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -58.7 | -48 | 175 | 178.1 | -101.1 | 0 | 0 | 0 | 111.8 | I34 F35 K40 N41 L42 | I34-W38 WeakPolarHBondContact O-CB 3.4Å; I34-W38 PolarHBondContact O-N 2.82Å; F35-W38 PolarHBondContact O-N 3.45Å; W38-K40 VanDerWaalsContact C-N 3.29Å; W38-K40 PolarHBondContact O-N 3.32Å; W38-N41 CarbonylContact O-C 3.23Å; W38-N41 WeakPolarHBondContact O-CA 3.45Å; W38-N41 WeakPolarHBondContact O-CB 3.46Å; W38-N41 PolarHBondContact O-N 2.85Å; W38-L42 HydrophobicContact CD2-CD1 4.01Å; W38-L42 HydrophobicContact CG-CD1 4.32Å; W38-L42 HydrophobicContact CH2-CD1 4.39Å; W38-L42 HydrophobicContact CZ2-CD1 3.5Å; W38-L42 PolarHBondContact O-N 2.81Å |
| 39 | R | 90.8 | Very high | 88.7 | Confident | 134 Ų | 134 | 98.9 Ų | 98.9 | 51% | 0.506 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.4 | -36.7 | 177.6 | -174.4 | 174.9 | -177.5 | 175.7 | 0.7 | 112.4 | F35 N41 R43 | F35-R39 VanDerWaalsContact O-CB 3.23Å; F35-R39 WeakPolarHBondContact O-CB 3.49Å; F35-R39 PolarHBondContact O-N 3.24Å; R39-N41 VanDerWaalsContact C-N 3.33Å; R39-R43 PolarHBondContact O-N 3.43Å |
| 40 | K | 88.4 | Confident | 88 | Confident | 121 Ų | 121 | 100.3 Ų | 100.3 | 53% | 0.526 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.4 | -38.9 | 172.9 | -79.2 | 175.4 | 178.6 | -179.7 | 0 | 111.3 | L36 H37 W38 | L36-K40 WeakPolarHBondContact O-CB 3.12Å; L36-K40 VanDerWaalsContact O-CG 3.28Å; L36-K40 WeakPolarHBondContact O-CG 3.45Å; L36-K40 PolarHBondContact O-N 3.39Å; H37-K40 WeakPolarHBondContact O-CB 3.28Å; H37-K40 PolarHBondContact O-N 3.26Å; W38-K40 VanDerWaalsContact C-N 3.29Å; W38-K40 PolarHBondContact O-N 3.32Å |
| 41 | N | 85.8 | Confident | 87.2 | Confident | 51 Ų | 51 | 107.1 Ų | 107.1 | 27% | 0.273 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -68.5 | -45.2 | 177 | -168.8 | 52.3 | 0 | 0 | 0 | 112 | H37 W38 R39 R43 R44 E45 | H37-N41 PolarHBondContact O-N 2.91Å; W38-N41 CarbonylContact O-C 3.23Å; W38-N41 WeakPolarHBondContact O-CA 3.45Å; W38-N41 WeakPolarHBondContact O-CB 3.46Å; W38-N41 PolarHBondContact O-N 2.85Å; R39-N41 VanDerWaalsContact C-N 3.33Å; N41-R43 VanDerWaalsContact C-N 3.3Å; N41-R43 PolarHBondContact O-N 3.26Å; N41-R44 WeakPolarHBondContact O-CA 3.4Å; N41-R44 WeakPolarHBondContact O-CB 3.48Å; N41-R44 PolarHBondContact O-N 2.87Å; N41-E45 PolarHBondContact ND2-OE1 3.08Å; N41-E45 PolarHBondContact O-N 3.48Å |
| 42 | L | 83.4 | Confident | 86.6 | Confident | 56 Ų | 56 | 109.2 Ų | 109.2 | 29% | 0.293 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -55.2 | -44.9 | 176.6 | -118 | 84.1 | 0 | 0 | 0 | 112.2 | W38 R44 E45 E46 | W38-L42 HydrophobicContact CD2-CD1 4.01Å; W38-L42 HydrophobicContact CG-CD1 4.32Å; W38-L42 HydrophobicContact CH2-CD1 4.39Å; W38-L42 HydrophobicContact CZ2-CD1 3.5Å; W38-L42 PolarHBondContact O-N 2.81Å; L42-R44 PolarHBondContact O-N 3.11Å; L42-R44 VanDerWaalsContact O-N 3.13Å; L42-E45 CarbonylContact O-C 3.57Å; L42-E45 WeakPolarHBondContact O-CB 3.33Å; L42-E45 PolarHBondContact O-N 3.3Å; L42-E46 WeakPolarHBondContact O-CG 3.33Å; L42-E46 PolarHBondContact O-N 2.81Å |
| 43 | R | 81.3 | Confident | 86 | Confident | 115 Ų | 115 | 112.3 Ų | 112.3 | 43% | 0.434 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.2 | -19.8 | 177.2 | -75 | -166.6 | -62.2 | -118.1 | 1 | 113.8 | R39 N41 R47 | R39-R43 PolarHBondContact O-N 3.43Å; N41-R43 VanDerWaalsContact C-N 3.3Å; N41-R43 PolarHBondContact O-N 3.26Å; R43-R47 PolarHBondContact O-NE 3.34Å; R43-R47 PolarHBondContact O-NH2 3.22Å |
| 44 | R | 77.9 | Confident | 85.3 | Confident | 159 Ų | 159 | 112 Ų | 112 | 60% | 0.6 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -83.7 | -40 | 172.2 | -64.3 | 177.9 | -170.5 | 163.9 | 0 | 110.2 | N41 L42 R47 A48 | N41-R44 WeakPolarHBondContact O-CA 3.4Å; N41-R44 WeakPolarHBondContact O-CB 3.48Å; N41-R44 PolarHBondContact O-N 2.87Å; L42-R44 PolarHBondContact O-N 3.11Å; L42-R44 VanDerWaalsContact O-N 3.13Å; R44-R47 PolarHBondContact O-N 3.39Å; R44-A48 WeakPolarHBondContact O-CB 3.33Å; R44-A48 PolarHBondContact O-N 2.88Å |
| 45 | E | 82.2 | Confident | 84.5 | Confident | 91 Ų | 91 | 111.9 Ų | 111.9 | 43% | 0.425 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.3 | -44.8 | 175.9 | -70.6 | 174.2 | -173.6 | 0 | 0 | 111.7 | N41 L42 R47 A48 Q49 | N41-E45 PolarHBondContact ND2-OE1 3.08Å; N41-E45 PolarHBondContact O-N 3.48Å; L42-E45 CarbonylContact O-C 3.57Å; L42-E45 WeakPolarHBondContact O-CB 3.33Å; L42-E45 PolarHBondContact O-N 3.3Å; E45-R47 VanDerWaalsContact C-N 3.34Å; E45-R47 PolarHBondContact O-N 2.85Å; E45-A48 CarbonylContact O-C 3.6Å; E45-A48 WeakPolarHBondContact O-CA 3.5Å; E45-A48 WeakPolarHBondContact O-CB 3.42Å; E45-A48 PolarHBondContact O-N 3.31Å; E45-A48 VanDerWaalsContact O-N 3.08Å; E45-Q49 WeakPolarHBondContact O-CG 3.47Å; E45-Q49 PolarHBondContact O-N 3.42Å |
| 46 | E | 82.7 | Confident | 83.6 | Confident | 109 Ų | 109 | 114.1 Ų | 114.1 | 51% | 0.509 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.6 | -42.9 | 175.5 | -72.2 | 169.5 | 179.4 | 0 | 0 | 112 | L42 Q49 Q50 | L42-E46 WeakPolarHBondContact O-CG 3.33Å; L42-E46 PolarHBondContact O-N 2.81Å; E46-Q49 PolarHBondContact O-N 3.28Å; E46-Q50 WeakPolarHBondContact O-CG 3.34Å; E46-Q50 PolarHBondContact O-N 2.8Å |
| 47 | R | 76.7 | Confident | 82.8 | Confident | 133 Ų | 133 | 112.1 Ų | 112.1 | 50% | 0.502 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.7 | -42.7 | 173.5 | -85.1 | 179.6 | -75.1 | 140.7 | -5.1 | 111 | R43 R44 E45 Q49 Q50 W51 | R43-R47 PolarHBondContact O-NE 3.34Å; R43-R47 PolarHBondContact O-NH2 3.22Å; R44-R47 PolarHBondContact O-N 3.39Å; E45-R47 VanDerWaalsContact C-N 3.34Å; E45-R47 PolarHBondContact O-N 2.85Å; R47-Q49 VanDerWaalsContact C-N 3.3Å; R47-Q49 PolarHBondContact O-N 3.47Å; R47-Q50 PolarHBondContact O-N 2.89Å; R47-W51 PolarHBondContact O-N 3.08Å |
| 48 | A | 76.4 | Confident | 81.6 | Confident | 51 Ų | 51 | 108 Ų | 108 | 42% | 0.421 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.8 | -39.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | R44 E45 W51 V52 | R44-A48 WeakPolarHBondContact O-CB 3.33Å; R44-A48 PolarHBondContact O-N 2.88Å; E45-A48 CarbonylContact O-C 3.6Å; E45-A48 WeakPolarHBondContact O-CA 3.5Å; E45-A48 WeakPolarHBondContact O-CB 3.42Å; E45-A48 PolarHBondContact O-N 3.31Å; E45-A48 VanDerWaalsContact O-N 3.08Å; A48-W51 WeakPolarHBondContact O-CB 3.4Å; A48-W51 PolarHBondContact O-N 2.88Å; A48-V52 VanDerWaalsContact O-CG2 3.28Å; A48-V52 WeakPolarHBondContact O-CG2 3.4Å; A48-V52 PolarHBondContact O-N 2.8Å |
| 49 | Q | 81.3 | Confident | 80.1 | Confident | 116 Ų | 116 | 103.9 Ų | 103.9 | 54% | 0.542 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.2 | -44.5 | 174.4 | -68.5 | -65.5 | -30.5 | 0 | 0 | 111.5 | E45 E46 R47 W51 V52 E53 | E45-Q49 WeakPolarHBondContact O-CG 3.47Å; E45-Q49 PolarHBondContact O-N 3.42Å; E46-Q49 PolarHBondContact O-N 3.28Å; R47-Q49 VanDerWaalsContact C-N 3.3Å; R47-Q49 PolarHBondContact O-N 3.47Å; Q49-W51 VanDerWaalsContact C-N 3.33Å; Q49-W51 PolarHBondContact O-N 2.89Å; Q49-V52 CarbonylContact O-C 3.59Å; Q49-V52 WeakPolarHBondContact O-CB 3.47Å; Q49-V52 PolarHBondContact O-N 3.41Å; Q49-V52 VanDerWaalsContact O-N 3.11Å; Q49-E53 WeakPolarHBondContact O-CG 3.47Å; Q49-E53 PolarHBondContact O-N 2.99Å |
| 50 | Q | 82.8 | Confident | 78.6 | Confident | 120 Ų | 120 | 104.9 Ų | 104.9 | 56% | 0.561 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -59.9 | -41.7 | 172.9 | -72.3 | 176 | -21.9 | 0 | 0 | 112.1 | E46 R47 V52 E53 V54 | E46-Q50 WeakPolarHBondContact O-CG 3.34Å; E46-Q50 PolarHBondContact O-N 2.8Å; R47-Q50 PolarHBondContact O-N 2.89Å; Q50-V52 VanDerWaalsContact C-N 3.33Å; Q50-V52 PolarHBondContact O-N 3.3Å; Q50-E53 PolarHBondContact O-N 3.01Å; Q50-V54 WeakPolarHBondContact O-CB 3.36Å; Q50-V54 VanDerWaalsContact O-CG2 3.28Å; Q50-V54 WeakPolarHBondContact O-CG2 3.44Å; Q50-V54 PolarHBondContact O-N 3.4Å |
| 51 | W | 80.9 | Confident | 77.3 | Confident | 175 Ų | 175 | 104.9 Ų | 104.9 | 66% | 0.663 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.5 | -39.5 | 173.7 | -82.4 | 105.6 | 0 | 0 | 0 | 112 | R47 A48 Q49 M55 | R47-W51 PolarHBondContact O-N 3.08Å; A48-W51 WeakPolarHBondContact O-CB 3.4Å; A48-W51 PolarHBondContact O-N 2.88Å; Q49-W51 VanDerWaalsContact C-N 3.33Å; Q49-W51 PolarHBondContact O-N 2.89Å; W51-M55 VanDerWaalsContact O-CB 3.23Å; W51-M55 WeakPolarHBondContact O-CB 3.38Å; W51-M55 WeakPolarHBondContact O-CG 3.41Å; W51-M55 PolarHBondContact O-N 2.88Å |
| 52 | V | 83.7 | Confident | 76.1 | Confident | 84 Ų | 84 | 108.5 Ų | 108.5 | 51% | 0.509 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.1 | -42.7 | 175.1 | 169 | 0 | 0 | 0 | 0 | 111 | A48 Q49 Q50 M55 R56 | A48-V52 VanDerWaalsContact O-CG2 3.28Å; A48-V52 WeakPolarHBondContact O-CG2 3.4Å; A48-V52 PolarHBondContact O-N 2.8Å; Q49-V52 CarbonylContact O-C 3.59Å; Q49-V52 WeakPolarHBondContact O-CB 3.47Å; Q49-V52 PolarHBondContact O-N 3.41Å; Q49-V52 VanDerWaalsContact O-N 3.11Å; Q50-V52 VanDerWaalsContact C-N 3.33Å; Q50-V52 PolarHBondContact O-N 3.3Å; V52-M55 PolarHBondContact O-N 3.44Å; V52-R56 WeakPolarHBondContact O-CB 3.3Å; V52-R56 PolarHBondContact O-N 3.28Å |
| 53 | E | 84.1 | Confident | 75.2 | Confident | 130 Ų | 130 | 108.1 Ų | 108.1 | 61% | 0.607 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -65.3 | -43.5 | 176.7 | -72.8 | -179.1 | 175.4 | 0 | 0 | 112.1 | Q49 Q50 R56 A57 | Q49-E53 WeakPolarHBondContact O-CG 3.47Å; Q49-E53 PolarHBondContact O-N 2.99Å; Q50-E53 PolarHBondContact O-N 3.01Å; E53-R56 PolarHBondContact O-N 3.39Å; E53-A57 WeakPolarHBondContact O-CB 3.28Å; E53-A57 PolarHBondContact O-N 2.92Å |
| 54 | V | 82.5 | Confident | 74.4 | Confident | 89 Ų | 89 | 105.9 Ų | 105.9 | 54% | 0.539 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.8 | -45.5 | 174.3 | 170.6 | 0 | 0 | 0 | 0 | 110.8 | Q50 R56 A57 A58 | Q50-V54 WeakPolarHBondContact O-CB 3.36Å; Q50-V54 VanDerWaalsContact O-CG2 3.28Å; Q50-V54 WeakPolarHBondContact O-CG2 3.44Å; Q50-V54 PolarHBondContact O-N 3.4Å; V54-R56 VanDerWaalsContact C-N 3.33Å; V54-R56 PolarHBondContact O-N 2.82Å; V54-A57 PolarHBondContact O-N 3.19Å; V54-A58 VanDerWaalsContact O-CB 3.24Å; V54-A58 WeakPolarHBondContact O-CB 3.46Å; V54-A58 PolarHBondContact O-N 3.03Å |
| 55 | M | 77.5 | Confident | 74 | Confident | 116 Ų | 116 | 104.4 Ų | 104.4 | 57% | 0.571 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63.2 | -40.2 | 176.1 | -78.8 | -65.4 | -63.8 | 0 | 0 | 111.8 | W51 V52 A58 T59 | W51-M55 VanDerWaalsContact O-CB 3.23Å; W51-M55 WeakPolarHBondContact O-CB 3.38Å; W51-M55 WeakPolarHBondContact O-CG 3.41Å; W51-M55 PolarHBondContact O-N 2.88Å; V52-M55 PolarHBondContact O-N 3.44Å; M55-A58 PolarHBondContact O-N 3.13Å; M55-T59 VanDerWaalsContact O-CB 3.25Å; M55-T59 WeakPolarHBondContact O-CB 3.21Å; M55-T59 PolarHBondContact O-N 3.2Å; M55-T59 PolarHBondContact O-OG1 2.88Å |
| 56 | R | 77.1 | Confident | 73.4 | Confident | 169 Ų | 169 | 105.4 Ų | 105.4 | 64% | 0.638 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -64.2 | -48 | 176.3 | -176.7 | 176 | -173.8 | -169.4 | -0.6 | 110.5 | V52 E53 V54 T59 F60 | V52-R56 WeakPolarHBondContact O-CB 3.3Å; V52-R56 PolarHBondContact O-N 3.28Å; E53-R56 PolarHBondContact O-N 3.39Å; V54-R56 VanDerWaalsContact C-N 3.33Å; V54-R56 PolarHBondContact O-N 2.82Å; R56-T59 PolarHBondContact O-N 2.82Å; R56-F60 HydrophobicContact CG-CD2 3.83Å; R56-F60 HydrophobicContact CG-CE2 3.38Å; R56-F60 HydrophobicContact CG-CZ 4.46Å; R56-F60 WeakPolarHBondContact O-CD2 3.17Å; R56-F60 WeakPolarHBondContact O-CG 3.37Å; R56-F60 PolarHBondContact O-N 3Å |
| 57 | A | 77.7 | Confident | 73 | Confident | 53 Ų | 53 | 104.9 Ų | 104.9 | 44% | 0.438 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.7 | -45.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | E53 V54 T59 F60 T61 | E53-A57 WeakPolarHBondContact O-CB 3.28Å; E53-A57 PolarHBondContact O-N 2.92Å; V54-A57 PolarHBondContact O-N 3.19Å; A57-T59 VanDerWaalsContact C-N 3.34Å; A57-T59 PolarHBondContact O-N 3.34Å; A57-F60 CarbonylContact O-C 3.55Å; A57-F60 PolarHBondContact O-N 2.82Å; A57-F60 VanDerWaalsContact O-N 3.1Å; A57-T61 WeakPolarHBondContact O-CG2 3.38Å; A57-T61 PolarHBondContact O-N 3.17Å; A57-T61 PolarHBondContact O-OG1 2.98Å |
| 58 | A | 68.6 | Low | 72.9 | Confident | 49 Ų | 49 | 105.3 Ų | 105.3 | 41% | 0.405 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64 | -37.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | V54 M55 F60 T61 Y62 | V54-A58 VanDerWaalsContact O-CB 3.24Å; V54-A58 WeakPolarHBondContact O-CB 3.46Å; V54-A58 PolarHBondContact O-N 3.03Å; M55-A58 PolarHBondContact O-N 3.13Å; A58-F60 PolarHBondContact O-N 3.44Å; A58-T61 WeakPolarHBondContact CA-OG1 3.23Å; A58-T61 PolarHBondContact O-N 3.48Å; A58-T61 PolarHBondContact O-OG1 3.24Å; A58-Y62 PolarHBondContact O-N 2.9Å; A58-Y62 VanDerWaalsContact O-N 3.13Å |
| 59 | T | 59.8 | Low | 72.9 | Confident | 60 Ų | 60 | 107.2 Ų | 107.2 | 37% | 0.368 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.4 | -30.8 | 174.2 | -59.3 | 0 | 0 | 0 | 0 | 111.4 | M55 R56 A57 S63 P64 | M55-T59 VanDerWaalsContact O-CB 3.25Å; M55-T59 WeakPolarHBondContact O-CB 3.21Å; M55-T59 PolarHBondContact O-N 3.2Å; M55-T59 PolarHBondContact O-OG1 2.88Å; R56-T59 PolarHBondContact O-N 2.82Å; A57-T59 VanDerWaalsContact C-N 3.34Å; A57-T59 PolarHBondContact O-N 3.34Å; T59-S63 VanDerWaalsContact O-CA 3.32Å; T59-S63 WeakPolarHBondContact O-CA 3.48Å; T59-P64 HydrophobicContact CG2-CG 4.09Å; T59-P64 WeakPolarHBondContact O-CD 3.32Å |
| 60 | F | 59.8 | Low | 72.7 | Confident | 156 Ų | 156 | 105.3 Ų | 105.3 | 68% | 0.684 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -86.6 | -26.1 | 177.1 | -69.3 | -56.4 | 0 | 0 | 0 | 113.9 | R56 A57 A58 | R56-F60 HydrophobicContact CG-CD2 3.83Å; R56-F60 HydrophobicContact CG-CE2 3.38Å; R56-F60 HydrophobicContact CG-CZ 4.46Å; R56-F60 WeakPolarHBondContact O-CD2 3.17Å; R56-F60 WeakPolarHBondContact O-CG 3.37Å; R56-F60 PolarHBondContact O-N 3Å; A57-F60 CarbonylContact O-C 3.55Å; A57-F60 PolarHBondContact O-N 2.82Å; A57-F60 VanDerWaalsContact O-N 3.1Å; A58-F60 PolarHBondContact O-N 3.44Å |
| 61 | T | 62 | Low | 72.2 | Confident | 121 Ų | 121 | 103.8 Ų | 103.8 | 74% | 0.742 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -82.7 | -30.9 | 178.9 | 54 | 0 | 0 | 0 | 0 | 113.5 | A57 A58 | A57-T61 WeakPolarHBondContact O-CG2 3.38Å; A57-T61 PolarHBondContact O-N 3.17Å; A57-T61 PolarHBondContact O-OG1 2.98Å; A58-T61 WeakPolarHBondContact CA-OG1 3.23Å; A58-T61 PolarHBondContact O-N 3.48Å; A58-T61 PolarHBondContact O-OG1 3.24Å |
| 62 | Y | 59.4 | Low | 71.7 | Confident | 127 Ų | 127 | 103.8 Ų | 103.8 | 50% | 0.498 | 52% | 0.518 | S | S | . | . | S | Bend | trans | -137.8 | 90.1 | 168.1 | -170.6 | -113.7 | 0 | 0 | 0 | 108.7 | A58 P64 Y67 | A58-Y62 PolarHBondContact O-N 2.9Å; A58-Y62 VanDerWaalsContact O-N 3.13Å; Y62-P64 WeakPolarHBondContact O-CD 3.28Å; Y62-Y67 VanDerWaalsContact CE1-CB 3.42Å; Y62-Y67 AromaticContact CE1-CD2 3.6Å; Y62-Y67 HydrophobicContact CE1-CD2 3.6Å; Y62-Y67 AromaticContact CE1-CG 3.79Å; Y62-Y67 HydrophobicContact CE1-CG 3.79Å; Y62-Y67 AromaticContact CZ-CD2 3.99Å; Y62-Y67 WeakPolarHBondContact OH-CD2 3.25Å |
| 63 | S | 65.6 | Low | 71 | Confident | 48 Ų | 48 | 108.5 Ų | 108.5 | 34% | 0.336 | 53% | 0.526 | S | S | . | . | trans | -49.2 | 112.8 | -178.5 | -179.7 | 0 | 0 | 0 | 0 | 110.1 | T59 L65 L66 Y67 | T59-S63 VanDerWaalsContact O-CA 3.32Å; T59-S63 WeakPolarHBondContact O-CA 3.48Å; S63-L65 PolarHBondContact O-N 3.25Å; S63-L66 WeakPolarHBondContact O-CA 3.3Å; S63-L66 WeakPolarHBondContact O-CB 3.43Å; S63-L66 PolarHBondContact O-N 2.95Å; S63-Y67 PolarHBondContact O-N 2.82Å | ||
| 64 | P | 64 | Low | 70 | Confident | 68 Ų | 68 | 111.6 Ų | 111.6 | 44% | 0.442 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -57.5 | -26.1 | 178.9 | -25.7 | 35.1 | 0 | 0 | 0 | 111.7 | T59 Y62 W68 | T59-P64 HydrophobicContact CG2-CG 4.09Å; T59-P64 WeakPolarHBondContact O-CD 3.32Å; Y62-P64 WeakPolarHBondContact O-CD 3.28Å; P64-W68 VanDerWaalsContact O-CB 3.26Å; P64-W68 WeakPolarHBondContact O-CB 3.45Å; P64-W68 PolarHBondContact O-N 3.4Å |
| 65 | L | 68.6 | Low | 69.2 | Low | 127 Ų | 127 | 117.2 Ų | 117.2 | 67% | 0.665 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -65.7 | -43.7 | 171.3 | -66.1 | 172.2 | 0 | 0 | 0 | 111.7 | S63 W68 I69 | S63-L65 PolarHBondContact O-N 3.25Å; L65-W68 PolarHBondContact O-N 3.24Å; L65-I69 WeakPolarHBondContact O-CB 3.38Å; L65-I69 WeakPolarHBondContact O-CD1 3.33Å; L65-I69 WeakPolarHBondContact O-CG1 3.45Å; L65-I69 PolarHBondContact O-N 3.37Å |
| 66 | L | 69.9 | Low | 68.7 | Low | 112 Ų | 112 | 113.5 Ų | 113.5 | 59% | 0.586 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -68.6 | -39.6 | 177.7 | -157 | 76.8 | 0 | 0 | 0 | 111.6 | S63 W68 I69 N70 | S63-L66 WeakPolarHBondContact O-CA 3.3Å; S63-L66 WeakPolarHBondContact O-CB 3.43Å; S63-L66 PolarHBondContact O-N 2.95Å; L66-W68 VanDerWaalsContact C-N 3.33Å; L66-W68 PolarHBondContact O-N 2.84Å; L66-I69 PolarHBondContact O-N 3.29Å; L66-N70 VanDerWaalsContact O-CB 3.24Å; L66-N70 WeakPolarHBondContact O-CB 3.32Å; L66-N70 PolarHBondContact O-N 3.49Å |
| 67 | Y | 74.7 | Confident | 67.7 | Low | 98 Ų | 98 | 114 Ų | 114 | 38% | 0.384 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -55.5 | -49.1 | 168.8 | 173.1 | -110.8 | 0 | 0 | 0 | 111.4 | Y62 S63 N70 K71 | Y62-Y67 VanDerWaalsContact CE1-CB 3.42Å; Y62-Y67 AromaticContact CE1-CD2 3.6Å; Y62-Y67 HydrophobicContact CE1-CD2 3.6Å; Y62-Y67 AromaticContact CE1-CG 3.79Å; Y62-Y67 HydrophobicContact CE1-CG 3.79Å; Y62-Y67 AromaticContact CZ-CD2 3.99Å; Y62-Y67 WeakPolarHBondContact OH-CD2 3.25Å; S63-Y67 PolarHBondContact O-N 2.82Å; Y67-N70 PolarHBondContact O-N 3.06Å; Y67-K71 HydrophobicContact CE1-CD 4.11Å; Y67-K71 WeakPolarHBondContact O-CB 3.48Å; Y67-K71 PolarHBondContact O-N 2.83Å |
| 68 | W | 73.9 | Confident | 66.6 | Low | 142 Ų | 142 | 118 Ų | 118 | 54% | 0.538 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -68.2 | -38.7 | -176.8 | -163.3 | -107 | 0 | 0 | 0 | 112.4 | P64 L65 L66 R72 | P64-W68 VanDerWaalsContact O-CB 3.26Å; P64-W68 WeakPolarHBondContact O-CB 3.45Å; P64-W68 PolarHBondContact O-N 3.4Å; L65-W68 PolarHBondContact O-N 3.24Å; L66-W68 VanDerWaalsContact C-N 3.33Å; L66-W68 PolarHBondContact O-N 2.84Å; W68-R72 WeakPolarHBondContact O-CB 3.37Å; W68-R72 PolarHBondContact O-N 3.37Å |
| 69 | I | 77.8 | Confident | 65.9 | Low | 92 Ų | 92 | 119.9 Ų | 119.9 | 47% | 0.472 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -65.5 | -45 | 174.5 | -70.6 | 163.6 | 0 | 0 | 0 | 110.8 | L65 L66 R72 R73 | L65-I69 WeakPolarHBondContact O-CB 3.38Å; L65-I69 WeakPolarHBondContact O-CD1 3.33Å; L65-I69 WeakPolarHBondContact O-CG1 3.45Å; L65-I69 PolarHBondContact O-N 3.37Å; L66-I69 PolarHBondContact O-N 3.29Å; I69-R72 PolarHBondContact O-N 3.47Å; I69-R73 PolarHBondContact O-N 3.32Å |
| 70 | N | 76.5 | Confident | 65.5 | Low | 75 Ų | 75 | 121 Ų | 121 | 40% | 0.401 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -67.1 | -41.5 | 177.9 | -170.2 | 11.5 | 0 | 0 | 0 | 111.5 | L66 Y67 R72 R73 R74 | L66-N70 VanDerWaalsContact O-CB 3.24Å; L66-N70 WeakPolarHBondContact O-CB 3.32Å; L66-N70 PolarHBondContact O-N 3.49Å; Y67-N70 PolarHBondContact O-N 3.06Å; N70-R72 PolarHBondContact O-N 3.03Å; N70-R73 PolarHBondContact O-N 2.86Å; N70-R74 WeakPolarHBondContact O-CB 3.35Å; N70-R74 WeakPolarHBondContact O-CG 3.33Å; N70-R74 PolarHBondContact O-N 2.84Å; N70-R74 WeakPolarHBondContact OD1-CG 3.4Å |
| 71 | K | 73.1 | Confident | 65 | Low | 89 Ų | 89 | 121.3 Ų | 121.3 | 39% | 0.387 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -62.1 | -41.5 | 174.3 | -172.3 | 177.8 | -174.9 | 174.9 | 0 | 111.7 | Y67 R74 Y75 | Y67-K71 HydrophobicContact CE1-CD 4.11Å; Y67-K71 WeakPolarHBondContact O-CB 3.48Å; Y67-K71 PolarHBondContact O-N 2.83Å; K71-R74 PolarHBondContact O-N 3.25Å; K71-Y75 HydrophobicContact CG-CD2 4.11Å; K71-Y75 WeakPolarHBondContact O-CB 3.39Å; K71-Y75 PolarHBondContact O-N 3.44Å |
| 72 | R | 70.2 | Confident | 64.5 | Low | 175 Ų | 175 | 123.2 Ų | 123.2 | 66% | 0.66 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -59.9 | -48.9 | 171.4 | -101.3 | -170.7 | -175.5 | 174.6 | 2.5 | 111.3 | W68 I69 N70 R74 G76 | W68-R72 WeakPolarHBondContact O-CB 3.37Å; W68-R72 PolarHBondContact O-N 3.37Å; I69-R72 PolarHBondContact O-N 3.47Å; N70-R72 PolarHBondContact O-N 3.03Å; R72-R74 PolarHBondContact O-N 2.95Å; R72-G76 CarbonylContact O-C 3.6Å; R72-G76 VanDerWaalsContact O-C 3.23Å; R72-G76 WeakPolarHBondContact O-CA 3.01Å; R72-G76 PolarHBondContact O-N 3.32Å |
| 73 | R | 67.7 | Low | 64.1 | Low | 182 Ų | 182 | 123.6 Ų | 123.6 | 69% | 0.687 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -63.3 | -39.7 | 178 | -76.9 | -159.1 | -160.7 | -165.5 | 7.7 | 113.4 | I69 N70 N78 | I69-R73 PolarHBondContact O-N 3.32Å; N70-R73 PolarHBondContact O-N 2.86Å; R73-N78 PolarHBondContact O-ND2 2.84Å |
| 74 | R | 64.3 | Low | 63.1 | Low | 196 Ų | 196 | 124.3 Ų | 124.3 | 74% | 0.74 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -74.8 | -32.6 | -175.9 | -72.9 | -88.6 | -170.1 | 170.9 | 1 | 113.1 | N70 K71 R72 | N70-R74 WeakPolarHBondContact O-CB 3.35Å; N70-R74 WeakPolarHBondContact O-CG 3.33Å; N70-R74 PolarHBondContact O-N 2.84Å; N70-R74 WeakPolarHBondContact OD1-CG 3.4Å; K71-R74 PolarHBondContact O-N 3.25Å; R72-R74 PolarHBondContact O-N 2.95Å |
| 75 | Y | 65.8 | Low | 62.3 | Low | 206 Ų | 206 | 126.9 Ų | 126.9 | 81% | 0.808 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -124 | -8.6 | -172.6 | -63.7 | -79.3 | 0 | 0 | 0 | 114.9 | K71 | K71-Y75 HydrophobicContact CG-CD2 4.11Å; K71-Y75 WeakPolarHBondContact O-CB 3.39Å; K71-Y75 PolarHBondContact O-N 3.44Å |
| 76 | G | 65.6 | Low | 61.4 | Low | 38 Ų | 38 | 126.7 Ų | 126.7 | 39% | 0.392 | 66% | 0.66 | S | S | . | * | S | Bend | trans | -126.4 | 103.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112 | R72 | R72-G76 CarbonylContact O-C 3.6Å; R72-G76 VanDerWaalsContact O-C 3.23Å; R72-G76 WeakPolarHBondContact O-CA 3.01Å; R72-G76 PolarHBondContact O-N 3.32Å |
| 77 | M | 56.5 | Low | 60.4 | Low | 179 Ų | 179 | 127.5 Ų | 127.5 | 88% | 0.882 | 67% | 0.672 | S | S | * | * | S | Bend | trans | 74.7 | 48.1 | 157.7 | -152.2 | 149.7 | 62.6 | 0 | 0 | 117 | ||
| 78 | N | 55.5 | Low | 58.5 | Low | 138 Ų | 138 | 127.3 Ų | 127.3 | 74% | 0.738 | 69% | 0.691 | S | S | * | * | trans | -102.6 | 5.4 | 150.1 | -73.7 | -49.5 | 0 | 0 | 0 | 112.2 | R73 | R73-N78 PolarHBondContact O-ND2 2.84Š| ||
| 79 | A | 52.9 | Low | 56.9 | Low | 89 Ų | 89 | 126 Ų | 126 | 74% | 0.736 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -93.6 | 113.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 80 | A | 52.6 | Low | 54.5 | Low | 84 Ų | 84 | 128.6 Ų | 128.6 | 69% | 0.694 | 72% | 0.718 | S | S | * | * | trans | 75 | 82.1 | 153.4 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 81 | I | 47.7 | Very low | 52.9 | Low | 162 Ų | 162 | 134 Ų | 134 | 83% | 0.831 | 74% | 0.738 | S | S | * | * | trans | -125.3 | 59.1 | 130 | -47.2 | 179.7 | 0 | 0 | 0 | 107.8 | ||||
| 82 | N | 52.2 | Low | 50.9 | Low | 160 Ų | 160 | 136.1 Ų | 136.1 | 86% | 0.856 | 76% | 0.759 | S | S | * | * | trans | -99.7 | 78.1 | 158.8 | -74.8 | -41.4 | 0 | 0 | 0 | 106.7 | ||||
| 83 | T | 50.2 | Low | 49.4 | Very low | 136 Ų | 136 | 136.7 Ų | 136.7 | 83% | 0.834 | 77% | 0.769 | S | S | * | * | trans | -121.9 | 83.5 | 164.8 | 40.2 | 0 | 0 | 0 | 0 | 108 | ||||
| 84 | G | 44.9 | Very low | 47.9 | Very low | 63 Ų | 63 | 134.1 Ų | 134.1 | 65% | 0.649 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -165.4 | 133.8 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||
| 85 | P | 46.9 | Very low | 46.4 | Very low | 122 Ų | 122 | 133.1 Ų | 133.1 | 79% | 0.792 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 157.1 | -173.3 | 29.1 | -33.1 | 0 | 0 | 0 | 112.1 | ||
| 86 | P | 50.8 | Low | 44.9 | Very low | 122 Ų | 122 | 129.6 Ų | 129.6 | 79% | 0.792 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 137.8 | -168.1 | 31.1 | -33.4 | 0 | 0 | 0 | 111.6 | ||
| 87 | P | 47.9 | Very low | 43.3 | Very low | 130 Ų | 130 | 135.8 Ų | 135.8 | 84% | 0.844 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 128.3 | 164.3 | 29.4 | -28 | 0 | 0 | 0 | 110.1 | ||
| 88 | A | 35.6 | Very low | 42.3 | Very low | 94 Ų | 94 | 134 Ų | 134 | 78% | 0.777 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 127.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 89 | V | 40.5 | Very low | 41.7 | Very low | 113 Ų | 113 | 132.2 Ų | 132.2 | 69% | 0.685 | 79% | 0.786 | S | S | * | * | trans | 51.5 | 116 | 138.6 | -175 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 90 | T | 28.3 | Very low | 40.8 | Very low | 147 Ų | 147 | 134.7 Ų | 134.7 | 90% | 0.902 | 79% | 0.787 | S | S | * | * | -153.5 | 132.9 | 119.8 | 0.2 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 91 | K | 42.5 | Very low | 40 | Very low | 188 Ų | 188 | 137.3 Ų | 137.3 | 82% | 0.817 | 79% | 0.794 | S | S | * | * | trans | -72.5 | 137.5 | -172.6 | -57.3 | 163.2 | 177.2 | 176.3 | 0 | 110.8 | ||||
| 92 | T | 31.2 | Very low | 39.4 | Very low | 134 Ų | 134 | 136.5 Ų | 136.5 | 82% | 0.822 | 79% | 0.791 | S | S | * | * | trans | -155.9 | 118.1 | 132.5 | -54 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 93 | E | 38.1 | Very low | 38.6 | Very low | 188 Ų | 188 | 140 Ų | 140 | 88% | 0.879 | 79% | 0.792 | S | S | * | * | trans | -61.7 | 129.1 | 166.6 | -71.5 | 159.9 | 132 | 0 | 0 | 110.3 | ||||
| 94 | T | 36.6 | Very low | 37.6 | Very low | 128 Ų | 128 | 143 Ų | 143 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | trans | -149.6 | 92 | 145.3 | -46.2 | 0 | 0 | 0 | 0 | 108.6 | V96 | T94-V96 PolarHBondContact O-N 2.87Š| ||
| 95 | E | 32.9 | Very low | 37.3 | Very low | 175 Ų | 175 | 147.7 Ų | 147.7 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | trans | -52.1 | 117.1 | 154.3 | 171.1 | -179.4 | 165.9 | 0 | 0 | 110 | ||||
| 96 | V | 33.5 | Very low | 36.6 | Very low | 132 Ų | 132 | 149.5 Ų | 149.5 | 80% | 0.8 | 81% | 0.809 | S | S | * | * | trans | -154.2 | 117.3 | 137.9 | -179.2 | 0 | 0 | 0 | 0 | 109.3 | T94 | T94-V96 PolarHBondContact O-N 2.87Š| ||
| 97 | Q | 32.4 | Very low | 36.3 | Very low | 168 Ų | 168 | 150 Ų | 150 | 79% | 0.785 | 80% | 0.803 | S | S | * | * | trans | -17.3 | 139.3 | 163.9 | -53.5 | -172.7 | 37.5 | 0 | 0 | 119.6 | ||||
| 98 | N | 34.5 | Very low | 36.1 | Very low | 141 Ų | 141 | 149.8 Ų | 149.8 | 75% | 0.754 | 80% | 0.802 | S | S | * | * | trans | -100.6 | 141.5 | 147.8 | -168.5 | 9.2 | 0 | 0 | 0 | 106.8 | D100 | N98-D100 PolarHBondContact OD1-N 2.67Å; N98-D100 VanDerWaalsContact OD1-N 3.11Å | ||
| 99 | P | 43.8 | Very low | 36.2 | Very low | 100 Ų | 100 | 154.2 Ų | 154.2 | 65% | 0.649 | 81% | 0.807 | S | S | * | * | -143.7 | 148.5 | 91.2 | 30.3 | -9.9 | 0 | 0 | 0 | 116.1 | |||||
| 100 | D | 33.8 | Very low | 35.8 | Very low | 142 Ų | 142 | 152.5 Ų | 152.5 | 76% | 0.759 | 81% | 0.812 | S | S | * | * | trans | 55.9 | 106.9 | 143.6 | -68.4 | -25.4 | 0 | 0 | 0 | 121.7 | N98 | N98-D100 PolarHBondContact OD1-N 2.67Å; N98-D100 VanDerWaalsContact OD1-N 3.11Å | ||
| 101 | V | 36.1 | Very low | 36.2 | Very low | 138 Ų | 138 | 157 Ų | 157 | 84% | 0.836 | 81% | 0.812 | S | S | * | * | trans | -151.1 | 100.9 | 144.8 | -177.7 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 102 | L | 33.9 | Very low | 35.9 | Very low | 146 Ų | 146 | 153.4 Ų | 153.4 | 76% | 0.764 | 81% | 0.811 | S | S | * | * | 66.7 | 99 | 96.3 | -159.7 | 85.2 | 0 | 0 | 0 | 114.2 | |||||
| 103 | W | 36.4 | Very low | 36.2 | Very low | 232 Ų | 232 | 158.4 Ų | 158.4 | 88% | 0.879 | 82% | 0.817 | S | S | * | * | trans | 18 | 118.3 | 151.5 | -52.7 | 95.6 | 0 | 0 | 0 | 120.4 | ||||
| 104 | E | 29.7 | Very low | 36.1 | Very low | 199 Ų | 199 | 154.6 Ų | 154.6 | 93% | 0.93 | 82% | 0.817 | S | S | * | * | trans | -149.9 | 110.7 | 140.3 | -123.8 | 164.7 | 178.4 | 0 | 0 | 109.9 | ||||
| 105 | L | 38.8 | Very low | 36 | Very low | 162 Ų | 162 | 155.8 Ų | 155.8 | 85% | 0.848 | 82% | 0.819 | S | S | * | * | trans | -93.6 | 102.5 | 173.7 | -175.1 | 72.1 | 0 | 0 | 0 | 106.4 | I107 | L105-I107 PolarHBondContact O-N 2.9Š| ||
| 106 | D | 32.4 | Very low | 36.1 | Very low | 160 Ų | 160 | 155.4 Ų | 155.4 | 86% | 0.856 | 82% | 0.817 | S | S | * | * | trans | -63.2 | 118 | 179.9 | -116.7 | -26.2 | 0 | 0 | 0 | 111.1 | ||||
| 107 | I | 43.3 | Very low | 36.2 | Very low | 132 Ų | 132 | 155.3 Ų | 155.3 | 68% | 0.677 | 82% | 0.817 | S | S | * | * | trans | -100.3 | 123.3 | 161.3 | -63.4 | -175 | 0 | 0 | 0 | 106.6 | L105 E109 | L105-I107 PolarHBondContact O-N 2.9Å; I107-E109 PolarHBondContact O-N 3.24Å | ||
| 108 | P | 44.1 | Very low | 36.1 | Very low | 127 Ų | 127 | 153 Ų | 153 | 83% | 0.825 | 82% | 0.819 | S | S | * | * | trans | -84.7 | 100.4 | 176.6 | 31.6 | -29.2 | 0 | 0 | 0 | 110.4 | ||||
| 109 | E | 36.4 | Very low | 36.3 | Very low | 186 Ų | 186 | 153.1 Ų | 153.1 | 87% | 0.869 | 82% | 0.82 | S | S | * | * | trans | -93.5 | 100.5 | 166.7 | -154.8 | 128.9 | -159.5 | 0 | 0 | 108.9 | I107 | I107-E109 PolarHBondContact O-N 3.24Š| ||
| 110 | G | 33.8 | Very low | 36.3 | Very low | 77 Ų | 77 | 154 Ų | 154 | 79% | 0.794 | 83% | 0.825 | S | S | * | * | trans | -79.6 | 122.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 111 | R | 36.5 | Very low | 36.1 | Very low | 241 Ų | 241 | 156.2 Ų | 156.2 | 91% | 0.909 | 83% | 0.828 | S | S | * | * | trans | -44.3 | 156 | 167 | -65.2 | 175.9 | -176.4 | 167.9 | 1.4 | 112.7 | ||||
| 112 | S | 36.3 | Very low | 35.9 | Very low | 114 Ų | 114 | 153.5 Ų | 153.5 | 80% | 0.797 | 82% | 0.82 | S | S | * | * | -174 | 149.7 | 52.3 | 48.6 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 113 | Y | 37.8 | Very low | 35.8 | Very low | 239 Ų | 239 | 156 Ų | 156 | 94% | 0.937 | 83% | 0.828 | S | S | * | * | trans | -77.2 | 142.4 | 173.6 | -70.2 | -98.3 | 0 | 0 | 0 | 113.8 | ||||
| 114 | A | 34.8 | Very low | 35.9 | Very low | 108 Ų | 108 | 151.5 Ų | 151.5 | 89% | 0.893 | 82% | 0.821 | S | S | * | * | trans | -164.6 | 151 | 138.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 115 | D | 34 | Very low | 36.4 | Very low | 152 Ų | 152 | 147.6 Ų | 147.6 | 81% | 0.813 | 81% | 0.813 | S | S | * | * | trans | -105.3 | 164.6 | -154.7 | -146.1 | -15.3 | 0 | 0 | 0 | 113.2 | ||||
| 116 | Q | 35.2 | Very low | 36.2 | Very low | 167 Ų | 167 | 143.4 Ų | 143.4 | 78% | 0.78 | 80% | 0.802 | S | S | * | * | trans | 93.9 | 101.3 | 160 | -63.4 | -166.9 | 57.8 | 0 | 0 | 123.8 | ||||
| 117 | V | 35.9 | Very low | 36.7 | Very low | 131 Ų | 131 | 141.6 Ų | 141.6 | 79% | 0.794 | 80% | 0.798 | S | S | * | * | 46.5 | 111.9 | 118.3 | -173.4 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 118 | S | 31.3 | Very low | 36.2 | Very low | 118 Ų | 118 | 143.4 Ų | 143.4 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | 174.7 | 140.7 | 114.5 | 59.4 | 0 | 0 | 0 | 0 | 112 | |||||
| 119 | N | 38.9 | Very low | 36 | Very low | 145 Ų | 145 | 145.9 Ų | 145.9 | 78% | 0.775 | 81% | 0.809 | S | S | * | * | trans | -120.7 | 137.3 | 169.6 | -174.1 | -2.5 | 0 | 0 | 0 | 105.9 | K121 | N119-K121 PolarHBondContact OD1-N 3.1Å; N119-K121 VanDerWaalsContact OD1-N 3.1Å | ||
| 120 | P | 43.6 | Very low | 36 | Very low | 118 Ų | 118 | 143.1 Ų | 143.1 | 77% | 0.766 | 81% | 0.807 | S | S | * | * | -147.7 | 138.2 | 104.2 | 32.1 | -11.8 | 0 | 0 | 0 | 115 | |||||
| 121 | K | 28.2 | Very low | 36 | Very low | 188 Ų | 188 | 143.5 Ų | 143.5 | 82% | 0.817 | 80% | 0.803 | S | S | * | * | 95 | 119.4 | 124.3 | -165.8 | 164.5 | -177.4 | 175.2 | 0 | 120.8 | N119 | N119-K121 PolarHBondContact OD1-N 3.1Å; N119-K121 VanDerWaalsContact OD1-N 3.1Å | |||
| 122 | A | 33.5 | Very low | 35.9 | Very low | 81 Ų | 81 | 140.5 Ų | 140.5 | 67% | 0.669 | 80% | 0.804 | S | S | * | * | trans | 66.1 | 112.1 | 138.7 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 123 | E | 30.2 | Very low | 35.9 | Very low | 199 Ų | 199 | 144.2 Ų | 144.2 | 93% | 0.93 | 81% | 0.809 | S | S | * | * | -166.3 | 133.5 | 114.8 | -107.6 | 176.1 | 111.8 | 0 | 0 | 109.9 | |||||
| 124 | D | 39.3 | Very low | 35.6 | Very low | 138 Ų | 138 | 136.4 Ų | 136.4 | 74% | 0.738 | 80% | 0.802 | S | S | * | * | trans | -118.8 | 145.5 | 163.3 | -171.5 | 18.2 | 0 | 0 | 0 | 104.5 | A126 | D124-A126 PolarHBondContact OD1-N 3.37Å; D124-A126 VanDerWaalsContact OD1-N 3.1Å | ||
| 125 | P | 41 | Very low | 35.6 | Very low | 116 Ų | 116 | 136 Ų | 136 | 75% | 0.753 | 80% | 0.798 | S | S | * | * | -149.8 | 135.4 | 98.9 | 34.1 | -14.3 | 0 | 0 | 0 | 116 | |||||
| 126 | A | 33 | Very low | 36 | Very low | 75 Ų | 75 | 134.5 Ų | 134.5 | 62% | 0.62 | 80% | 0.797 | S | S | * | * | 91.1 | 141.9 | 118.8 | 0 | 0 | 0 | 0 | 0 | 120.9 | D124 | D124-A126 PolarHBondContact OD1-N 3.37Å; D124-A126 VanDerWaalsContact OD1-N 3.1Å | |||
| 127 | P | 44.2 | Very low | 36 | Very low | 121 Ų | 121 | 135.9 Ų | 135.9 | 79% | 0.786 | 80% | 0.803 | S | S | * | * | trans | -93.9 | 141.4 | -176.3 | 37.3 | -31.4 | 0 | 0 | 0 | 112 | ||||
| 128 | L | 32.7 | Very low | 36 | Very low | 170 Ų | 170 | 137.6 Ų | 137.6 | 89% | 0.89 | 80% | 0.803 | S | S | * | * | trans | -126.1 | 99.5 | 171.8 | -69.5 | 175.8 | 0 | 0 | 0 | 111.1 | ||||
| 129 | Q | 39.1 | Very low | 36.3 | Very low | 179 Ų | 179 | 138.4 Ų | 138.4 | 84% | 0.836 | 81% | 0.805 | S | S | * | * | trans | -76.1 | 151 | 149.7 | -67.1 | -174 | -10.5 | 0 | 0 | 109.2 | ||||
| 130 | P | 37.5 | Very low | 36.5 | Very low | 128 Ų | 128 | 139.5 Ų | 139.5 | 83% | 0.831 | 81% | 0.805 | S | S | * | * | trans | -111.5 | 116.3 | 144.6 | -5.4 | 25.1 | 0 | 0 | 0 | 110.7 | ||||
| 131 | A | 33.4 | Very low | 36.8 | Very low | 85 Ų | 85 | 139 Ų | 139 | 70% | 0.702 | 81% | 0.812 | S | S | * | * | trans | -77.7 | 132.7 | 161.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 132 | L | 33.7 | Very low | 37.5 | Very low | 178 Ų | 178 | 135.3 Ų | 135.3 | 93% | 0.932 | 81% | 0.809 | S | S | * | * | trans | -128 | 105.3 | 155.3 | -108.1 | 165.3 | 0 | 0 | 0 | 107.4 | ||||
| 133 | Q | 37.4 | Very low | 38.1 | Very low | 192 Ų | 192 | 135.7 Ų | 135.7 | 90% | 0.897 | 81% | 0.807 | S | S | * | * | trans | -79.4 | 136.7 | 171.8 | -80.9 | 176.6 | -20.6 | 0 | 0 | 110.5 | ||||
| 134 | G | 30.2 | Very low | 38.8 | Very low | 76 Ų | 76 | 131.4 Ų | 131.4 | 78% | 0.784 | 80% | 0.796 | S | S | * | * | trans | -164.6 | 119 | 159.6 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 135 | A | 35.3 | Very low | 39.4 | Very low | 99 Ų | 99 | 132.4 Ų | 132.4 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | -77.9 | -169 | -163.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 136 | P | 41.9 | Very low | 40.1 | Very low | 121 Ų | 121 | 132.8 Ų | 132.8 | 79% | 0.786 | 80% | 0.797 | S | S | * | * | -101.9 | 142.3 | -102.9 | 34.9 | -19.8 | 0 | 0 | 0 | 113.5 | |||||
| 137 | Q | 34.9 | Very low | 41.4 | Very low | 196 Ų | 196 | 136.5 Ų | 136.5 | 92% | 0.916 | 81% | 0.805 | S | S | * | * | trans | -127.3 | 105.4 | 162.8 | -71.9 | -168 | -15.3 | 0 | 0 | 110.7 | ||||
| 138 | Q | 37.4 | Very low | 41.7 | Very low | 167 Ų | 167 | 136.1 Ų | 136.1 | 78% | 0.78 | 80% | 0.803 | S | S | * | * | trans | 23.2 | 121.3 | 150.2 | -156.1 | 157.2 | -58.8 | 0 | 0 | 118.6 | Q140 | Q138-Q140 PolarHBondContact O-N 2.9Š| ||
| 139 | P | 37 | Very low | 43.2 | Very low | 134 Ų | 134 | 135.5 Ų | 135.5 | 87% | 0.87 | 80% | 0.799 | S | S | * | * | trans | -71 | 100.3 | 172.9 | -8.1 | 23.5 | 0 | 0 | 0 | 110.1 | ||||
| 140 | Q | 43 | Very low | 44 | Very low | 168 Ų | 168 | 136.4 Ų | 136.4 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | trans | -80.4 | 125.2 | 153.7 | -72.5 | -145.3 | -43.1 | 0 | 0 | 108 | Q138 S142 | Q138-Q140 PolarHBondContact O-N 2.9Å; Q140-S142 PolarHBondContact O-N 3.49Å | ||
| 141 | A | 49.5 | Very low | 44.9 | Very low | 109 Ų | 109 | 138.8 Ų | 138.8 | 90% | 0.901 | 80% | 0.801 | S | S | * | * | trans | -60.4 | 95.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 142 | S | 42.9 | Very low | 46 | Very low | 109 Ų | 109 | 143.8 Ų | 143.8 | 76% | 0.762 | 81% | 0.809 | S | S | * | * | trans | -105 | 90 | 168.7 | 58.5 | 0 | 0 | 0 | 0 | 109.2 | Q140 | Q140-S142 PolarHBondContact O-N 3.49Š| ||
| 143 | S | 45.9 | Very low | 47.3 | Very low | 89 Ų | 89 | 140.9 Ų | 140.9 | 62% | 0.622 | 80% | 0.799 | S | S | * | * | trans | -61.6 | 134.4 | 162 | 165.9 | 0 | 0 | 0 | 0 | 109.2 | F145 | S143-F145 PolarHBondContact O-N 3.43Å; S143-F145 PolarHBondContact OG-N 2.86Å | ||
| 144 | P | 46.4 | Very low | 48.2 | Very low | 110 Ų | 110 | 137.1 Ų | 137.1 | 71% | 0.714 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -84.8 | 11.4 | -179 | 34.4 | -33.2 | 0 | 0 | 0 | 113.7 | ||
| 145 | F | 50.5 | Low | 49.4 | Very low | 159 Ų | 159 | 143.1 Ų | 143.1 | 70% | 0.697 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -109.2 | 119.7 | -177 | -61 | -74.4 | 0 | 0 | 0 | 111.2 | S143 L147 | S143-F145 PolarHBondContact O-N 3.43Å; S143-F145 PolarHBondContact OG-N 2.86Å; F145-L147 PolarHBondContact O-N 2.92Å; F145-L147 VanDerWaalsContact O-N 3.17Å |
| 146 | P | 57 | Low | 50.5 | Low | 123 Ų | 123 | 142.5 Ų | 142.5 | 80% | 0.799 | 79% | 0.791 | S | S | * | * | trans | -65.8 | 117.7 | 170.6 | 25.5 | -29.1 | 0 | 0 | 0 | 108.7 | ||||
| 147 | L | 58.6 | Low | 51 | Low | 153 Ų | 153 | 142.2 Ų | 142.2 | 80% | 0.801 | 79% | 0.789 | S | S | * | * | trans | -60.4 | 127.5 | 170 | -70.1 | 162 | 0 | 0 | 0 | 108.2 | F145 I149 | F145-L147 PolarHBondContact O-N 2.92Å; F145-L147 VanDerWaalsContact O-N 3.17Å; L147-I149 PolarHBondContact O-N 3.48Å | ||
| 148 | P | 51.4 | Low | 51.9 | Low | 113 Ų | 113 | 138.2 Ų | 138.2 | 73% | 0.734 | 78% | 0.78 | S | S | * | * | trans | -68.9 | 101.9 | 176.1 | 26.4 | -30.7 | 0 | 0 | 0 | 108.9 | F150 | P148-F150 PolarHBondContact O-N 3.36Š| ||
| 149 | I | 63.3 | Low | 52.5 | Low | 157 Ų | 157 | 137.5 Ų | 137.5 | 81% | 0.805 | 78% | 0.781 | S | S | * | * | trans | -77.5 | 114.3 | 170.3 | -61.1 | 169.9 | 0 | 0 | 0 | 106.5 | L147 Q151 | L147-I149 PolarHBondContact O-N 3.48Å; I149-Q151 PolarHBondContact O-N 3.3Å | ||
| 150 | F | 56.3 | Low | 53.3 | Low | 198 Ų | 198 | 136.1 Ų | 136.1 | 87% | 0.868 | 77% | 0.773 | S | S | * | * | trans | -69.6 | 112.5 | 170.9 | -89.9 | -95.3 | 0 | 0 | 0 | 108.9 | P148 E152 | P148-F150 PolarHBondContact O-N 3.36Å; F150-E152 PolarHBondContact O-N 3.26Å | ||
| 151 | Q | 57.4 | Low | 54 | Low | 179 Ų | 179 | 135.6 Ų | 135.6 | 84% | 0.836 | 78% | 0.776 | S | S | * | * | trans | -84.4 | 106.9 | 170 | -166.7 | 170.3 | 60.6 | 0 | 0 | 107.6 | I149 V153 | I149-Q151 PolarHBondContact O-N 3.3Å; Q151-V153 PolarHBondContact O-N 2.83Å | ||
| 152 | E | 56.4 | Low | 54.3 | Low | 189 Ų | 189 | 137.2 Ų | 137.2 | 88% | 0.883 | 77% | 0.768 | S | S | * | * | trans | -70.3 | 112 | 178.6 | -150.6 | 171.1 | -158.3 | 0 | 0 | 108.8 | F150 | F150-E152 PolarHBondContact O-N 3.26Š| ||
| 153 | V | 61.5 | Low | 54.7 | Low | 118 Ų | 118 | 137 Ų | 137 | 72% | 0.715 | 77% | 0.765 | S | S | * | * | trans | -73 | 131.4 | 179.4 | 178.5 | 0 | 0 | 0 | 0 | 108.5 | Q151 F155 | Q151-V153 PolarHBondContact O-N 2.83Å; V153-F155 PolarHBondContact O-N 3.35Å | ||
| 154 | P | 55.8 | Low | 55 | Low | 113 Ų | 113 | 138.8 Ų | 138.8 | 73% | 0.734 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -61.8 | 112.7 | 176.2 | -20.1 | 31.3 | 0 | 0 | 0 | 110.8 | ||
| 155 | F | 54.9 | Low | 55.3 | Low | 201 Ų | 201 | 140.9 Ų | 140.9 | 88% | 0.882 | 78% | 0.778 | S | S | * | * | trans | 38.1 | 99.1 | 161.8 | -67.4 | -85.9 | 0 | 0 | 0 | 117.1 | V153 | V153-F155 PolarHBondContact O-N 3.35Š| ||
| 156 | A | 59 | Low | 55.4 | Low | 87 Ų | 87 | 140.1 Ų | 140.1 | 72% | 0.719 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -70 | 146.1 | 160 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 157 | P | 51.8 | Low | 55 | Low | 114 Ų | 114 | 141 Ų | 141 | 74% | 0.74 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 140.1 | 172.8 | -20.3 | 30.8 | 0 | 0 | 0 | 111.2 | L159 | P157-L159 PolarHBondContact O-N 3.1Š|
| 158 | P | 54.8 | Low | 54.5 | Low | 112 Ų | 112 | 141 Ų | 141 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 125.7 | -176.2 | 26.6 | -32.7 | 0 | 0 | 0 | 110.5 | C160 | P158-C160 PolarHBondContact O-N 2.78Š|
| 159 | L | 49.7 | Very low | 54.3 | Low | 152 Ų | 152 | 140.3 Ų | 140.3 | 80% | 0.796 | 77% | 0.772 | S | S | * | * | trans | -71.9 | 91.9 | 169.3 | -70 | 170.4 | 0 | 0 | 0 | 108.2 | P157 N161 | P157-L159 PolarHBondContact O-N 3.1Å; L159-N161 PolarHBondContact O-N 3.32Å | ||
| 160 | C | 52.4 | Low | 53.5 | Low | 105 Ų | 105 | 138.7 Ų | 138.7 | 71% | 0.709 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -66.8 | 20.1 | -176 | -70.3 | 0 | 0 | 0 | 0 | 116 | P158 | P158-C160 PolarHBondContact O-N 2.78Š|
| 161 | N | 57.8 | Low | 52.8 | Low | 158 Ų | 158 | 134.2 Ų | 134.2 | 85% | 0.845 | 76% | 0.763 | S | S | * | * | trans | -145.1 | 58.3 | 177.8 | -68.8 | -67.5 | 0 | 0 | 0 | 112.1 | L159 | L159-N161 PolarHBondContact O-N 3.32Š| ||
| 162 | L | 56.1 | Low | 51.9 | Low | 142 Ų | 142 | 135.6 Ų | 135.6 | 74% | 0.743 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -89.9 | 133.9 | 160.1 | -71.4 | 167.9 | 0 | 0 | 0 | 108.5 | ||
| 163 | P | 52.1 | Low | 51.3 | Low | 106 Ų | 106 | 132.4 Ų | 132.4 | 69% | 0.688 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 146.6 | 171 | 26.5 | -32.5 | 0 | 0 | 0 | 109.1 | L165 | P163-L165 PolarHBondContact O-N 3.41Š|
| 164 | P | 52.6 | Low | 50.2 | Low | 126 Ų | 126 | 131.6 Ų | 131.6 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -55 | 119.6 | -171.2 | 18.9 | -30.1 | 0 | 0 | 0 | 110.7 | L166 | P164-L166 PolarHBondContact O-N 3.03Š|
| 165 | L | 51.7 | Low | 49.9 | Very low | 153 Ų | 153 | 131.2 Ų | 131.2 | 80% | 0.801 | 76% | 0.764 | S | S | * | * | trans | -64.5 | 106.3 | 173.9 | -154.9 | 96.9 | 0 | 0 | 0 | 107 | P163 N167 | P163-L165 PolarHBondContact O-N 3.41Å; L165-N167 PolarHBondContact O-N 3.45Å | ||
| 166 | L | 51.9 | Low | 49.3 | Very low | 143 Ų | 143 | 127.6 Ų | 127.6 | 75% | 0.749 | 76% | 0.758 | S | S | * | * | trans | -67.6 | 104.7 | -179.6 | -148.8 | 149 | 0 | 0 | 0 | 107.4 | P164 H168 | P164-L166 PolarHBondContact O-N 3.03Å; L166-H168 VanDerWaalsContact C-N 3.31Å; L166-H168 PolarHBondContact O-N 2.98Å; L166-H168 PolarHBondContact O-ND1 3.45Å | ||
| 167 | N | 48.6 | Very low | 48.7 | Very low | 141 Ų | 141 | 129.2 Ų | 129.2 | 75% | 0.754 | 76% | 0.763 | S | S | * | * | trans | -61 | 89.8 | 177.1 | -71.2 | -66.2 | 0 | 0 | 0 | 109.5 | L165 S169 | L165-N167 PolarHBondContact O-N 3.45Å; N167-S169 VanDerWaalsContact C-N 3.29Å; N167-S169 PolarHBondContact O-N 2.96Å | ||
| 168 | H | 49.8 | Very low | 48.3 | Very low | 153 Ų | 153 | 129.4 Ų | 129.4 | 71% | 0.708 | 76% | 0.764 | S | S | * | * | trans | -91.7 | 77.6 | 162.6 | 48.4 | -76.2 | 0 | 0 | 0 | 107.2 | L166 V170 | L166-H168 VanDerWaalsContact C-N 3.31Å; L166-H168 PolarHBondContact O-N 2.98Å; L166-H168 PolarHBondContact O-ND1 3.45Å; H168-V170 PolarHBondContact O-N 3.46Å | ||
| 169 | S | 45.6 | Very low | 47.7 | Very low | 100 Ų | 100 | 133.2 Ų | 133.2 | 70% | 0.699 | 77% | 0.772 | S | S | * | * | trans | -53.2 | 111.3 | 163 | -54.2 | 0 | 0 | 0 | 0 | 107.8 | N167 S171 | N167-S169 VanDerWaalsContact C-N 3.29Å; N167-S169 PolarHBondContact O-N 2.96Å; S169-S171 VanDerWaalsContact C-N 3.3Å; S169-S171 PolarHBondContact O-N 3.28Å | ||
| 170 | V | 46.4 | Very low | 47.8 | Very low | 123 Ų | 123 | 136.1 Ų | 136.1 | 75% | 0.745 | 77% | 0.772 | S | S | * | * | trans | -75.7 | 86.9 | 177.1 | -172 | 0 | 0 | 0 | 0 | 107.7 | H168 Y172 | H168-V170 PolarHBondContact O-N 3.46Å; V170-Y172 PolarHBondContact O-N 3.42Å | ||
| 171 | S | 41.8 | Very low | 47.7 | Very low | 103 Ų | 103 | 137.1 Ų | 137.1 | 72% | 0.72 | 77% | 0.771 | S | S | * | * | trans | -67.9 | 116.5 | 159.9 | 1.7 | 0 | 0 | 0 | 0 | 107.8 | S169 P173 | S169-S171 VanDerWaalsContact C-N 3.3Å; S169-S171 PolarHBondContact O-N 3.28Å; S171-P173 WeakPolarHBondContact O-CD 3.14Å | ||
| 172 | Y | 39.8 | Very low | 47.1 | Very low | 208 Ų | 208 | 135 Ų | 135 | 82% | 0.816 | 76% | 0.763 | S | S | * | * | trans | -49.6 | 125.2 | 167.5 | -97.4 | -100 | 0 | 0 | 0 | 109.8 | V170 S174 | V170-Y172 PolarHBondContact O-N 3.42Å; Y172-S174 PolarHBondContact O-N 2.91Å; Y172-S174 VanDerWaalsContact O-N 3.08Å | ||
| 173 | P | 43.3 | Very low | 46.8 | Very low | 122 Ų | 122 | 135 Ų | 135 | 79% | 0.792 | 76% | 0.763 | S | S | * | * | trans | -76.2 | 101.3 | 164.1 | 28.4 | -26.8 | 0 | 0 | 0 | 107.7 | S171 A175 | S171-P173 WeakPolarHBondContact O-CD 3.14Å; P173-A175 PolarHBondContact O-N 3.27Å | ||
| 174 | S | 39.2 | Very low | 46.3 | Very low | 101 Ų | 101 | 138 Ų | 138 | 71% | 0.706 | 77% | 0.766 | S | S | * | * | trans | -42.9 | 134.6 | 157.3 | -46.4 | 0 | 0 | 0 | 0 | 109.3 | Y172 T176 | Y172-S174 PolarHBondContact O-N 2.91Å; Y172-S174 VanDerWaalsContact O-N 3.08Å; S174-T176 PolarHBondContact O-N 3.26Å | ||
| 175 | A | 49.4 | Very low | 46.4 | Very low | 106 Ų | 106 | 140.7 Ų | 140.7 | 88% | 0.876 | 77% | 0.767 | S | S | * | * | trans | -50.6 | 106.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | P173 | P173-A175 PolarHBondContact O-N 3.27Š| ||
| 176 | T | 42 | Very low | 46.4 | Very low | 124 Ų | 124 | 138 Ų | 138 | 76% | 0.761 | 76% | 0.761 | S | S | * | * | trans | -137.2 | 112.1 | 158.2 | -45.7 | 0 | 0 | 0 | 0 | 105.8 | S174 | S174-T176 PolarHBondContact O-N 3.26Š| ||
| 177 | C | 45.3 | Very low | 46.2 | Very low | 121 Ų | 121 | 138.7 Ų | 138.7 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -50.4 | 125 | -179.5 | -170.5 | 0 | 0 | 0 | 0 | 110.2 | E179 | C177-E179 PolarHBondContact O-N 3.38Š|
| 178 | P | 43.3 | Very low | 46 | Very low | 119 Ų | 119 | 137.4 Ų | 137.4 | 77% | 0.773 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 122.4 | 172.3 | 29.2 | -28.2 | 0 | 0 | 0 | 109.6 | ||
| 179 | E | 43.5 | Very low | 45.8 | Very low | 191 Ų | 191 | 137 Ų | 137 | 89% | 0.893 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 146.9 | 165 | -168.9 | 168.2 | 170.4 | 0 | 0 | 111.4 | C177 | C177-E179 PolarHBondContact O-N 3.38Š|
| 180 | R | 51.2 | Low | 45.9 | Very low | 213 Ų | 213 | 140.5 Ų | 140.5 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -62.4 | 154.4 | -168.5 | -164.9 | -176.1 | 173.4 | 141.6 | -2.3 | 112.5 | ||
| 181 | N | 50.3 | Low | 46 | Very low | 127 Ų | 127 | 138.3 Ų | 138.3 | 68% | 0.679 | 77% | 0.772 | S | S | * | * | trans | 101.9 | 77.6 | 159.6 | -48.8 | -60.4 | 0 | 0 | 0 | 116.6 | ||||
| 182 | V | 46.1 | Very low | 46.1 | Very low | 112 Ų | 112 | 140.9 Ų | 140.9 | 68% | 0.679 | 77% | 0.772 | S | S | * | * | trans | -120.4 | 108.9 | 143.5 | -175.6 | 0 | 0 | 0 | 0 | 107.1 | F184 | V182-F184 HydrophobicContact CB-CE2 4.04Å; V182-F184 HydrophobicContact CB-CZ 4.41Å; V182-F184 HydrophobicContact CG1-CD2 4.32Å; V182-F184 HydrophobicContact CG1-CE1 4.29Å; V182-F184 HydrophobicContact CG1-CE2 3.85Å; V182-F184 HydrophobicContact CG1-CZ 3.83Å; V182-F184 PolarHBondContact O-N 3.45Å | ||
| 183 | L | 48.9 | Very low | 46 | Very low | 142 Ų | 142 | 138.9 Ų | 138.9 | 74% | 0.743 | 77% | 0.77 | S | S | * | * | trans | -73.7 | 106.7 | 174.3 | -86.5 | 146 | 0 | 0 | 0 | 108.4 | ||||
| 184 | F | 42.7 | Very low | 46.2 | Very low | 171 Ų | 171 | 138.5 Ų | 138.5 | 75% | 0.75 | 76% | 0.761 | S | S | * | * | trans | -86.6 | 116.1 | 167.7 | -68 | -81 | 0 | 0 | 0 | 109 | V182 S186 | V182-F184 HydrophobicContact CB-CE2 4.04Å; V182-F184 HydrophobicContact CB-CZ 4.41Å; V182-F184 HydrophobicContact CG1-CD2 4.32Å; V182-F184 HydrophobicContact CG1-CE1 4.29Å; V182-F184 HydrophobicContact CG1-CE2 3.85Å; V182-F184 HydrophobicContact CG1-CZ 3.83Å; V182-F184 PolarHBondContact O-N 3.45Å; F184-S186 PolarHBondContact O-N 2.93Å; F184-S186 VanDerWaalsContact O-N 3.15Å | ||
| 185 | H | 52.8 | Low | 46.2 | Very low | 181 Ų | 181 | 141 Ų | 141 | 84% | 0.838 | 76% | 0.761 | S | S | * | * | trans | -79 | 19.5 | -178.2 | -74.9 | -74.1 | 0 | 0 | 0 | 114.9 | ||||
| 186 | S | 53.8 | Low | 45.7 | Very low | 96 Ų | 96 | 141.9 Ų | 141.9 | 67% | 0.671 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -137.2 | 79 | -179.2 | 46.5 | 0 | 0 | 0 | 0 | 110.4 | F184 | F184-S186 PolarHBondContact O-N 2.93Å; F184-S186 VanDerWaalsContact O-N 3.15Å |
| 187 | L | 47.6 | Very low | 45.7 | Very low | 158 Ų | 158 | 144.7 Ų | 144.7 | 83% | 0.827 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -179.8 | 136.2 | 146.2 | -95.1 | 163.7 | 0 | 0 | 0 | 108.1 | N189 | L187-N189 PolarHBondContact O-N 3.45Š|
| 188 | P | 43.9 | Very low | 45.4 | Very low | 114 Ų | 114 | 146.1 Ų | 146.1 | 74% | 0.74 | 76% | 0.763 | S | S | * | * | trans | -66.2 | 119.4 | 168.5 | 9.3 | 0.1 | 0 | 0 | 0 | 108.6 | L190 | P188-L190 PolarHBondContact O-N 3.27Å; P188-L190 VanDerWaalsContact O-N 3.08Å | ||
| 189 | N | 45.3 | Very low | 45.2 | Very low | 145 Ų | 145 | 144.5 Ų | 144.5 | 78% | 0.775 | 76% | 0.759 | S | S | * | * | trans | -69.5 | 100.5 | 179.6 | -171 | -7.2 | 0 | 0 | 0 | 109.7 | L187 A191 | L187-N189 PolarHBondContact O-N 3.45Å; N189-A191 PolarHBondContact OD1-N 3.24Å | ||
| 190 | L | 48.6 | Very low | 45 | Very low | 174 Ų | 174 | 144.6 Ų | 144.6 | 91% | 0.911 | 76% | 0.757 | S | S | * | * | trans | -108.4 | 62 | 169.3 | -103.4 | 160.4 | 0 | 0 | 0 | 108.7 | P188 | P188-L190 PolarHBondContact O-N 3.27Å; P188-L190 VanDerWaalsContact O-N 3.08Å | ||
| 191 | A | 47.6 | Very low | 44.8 | Very low | 77 Ų | 77 | 140 Ų | 140 | 64% | 0.636 | 76% | 0.755 | S | S | * | * | trans | -125 | 90.1 | 161.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | N189 E193 | N189-A191 PolarHBondContact OD1-N 3.24Å; A191-E193 PolarHBondContact O-N 3.24Å | ||
| 192 | H | 42.9 | Very low | 44.7 | Very low | 157 Ų | 157 | 144.1 Ų | 144.1 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | trans | -52.9 | 118.8 | 149.8 | 176.5 | 76.3 | 0 | 0 | 0 | 109.1 | ||||
| 193 | E | 39.4 | Very low | 44.5 | Very low | 165 Ų | 165 | 143.2 Ų | 143.2 | 77% | 0.771 | 77% | 0.771 | S | S | * | * | 176.7 | 115.8 | 125.6 | -96.7 | -170.5 | 158.1 | 0 | 0 | 111.4 | A191 | A191-E193 PolarHBondContact O-N 3.24Š| |||
| 194 | D | 46.7 | Very low | 44.3 | Very low | 114 Ų | 114 | 141.8 Ų | 141.8 | 61% | 0.61 | 77% | 0.773 | S | S | * | * | trans | 18.2 | 132.5 | 132.3 | -54.2 | -27.6 | 0 | 0 | 0 | 120.2 | ||||
| 195 | H | 39.3 | Very low | 44.1 | Very low | 153 Ų | 153 | 142.1 Ų | 142.1 | 71% | 0.708 | 78% | 0.777 | S | S | * | * | 166 | 100.9 | 118.2 | -85.1 | 1 | 0 | 0 | 0 | 111.3 | F197 | H195-F197 HydrophobicContact CB-CD2 4.01Å; H195-F197 HydrophobicContact CB-CE2 4.24Å; H195-F197 AromaticContact CD2-CE2 3.66Å; H195-F197 PolarHBondContact O-N 3.18Å | |||
| 196 | S | 39.1 | Very low | 43.5 | Very low | 125 Ų | 125 | 145.2 Ų | 145.2 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | trans | -79.2 | 85.9 | 160.1 | 51.5 | 0 | 0 | 0 | 0 | 109.4 | N198 | S196-N198 PolarHBondContact O-N 3.43Å; S196-N198 VanDerWaalsContact O-N 3.17Å | ||
| 197 | F | 42.4 | Very low | 43 | Very low | 184 Ų | 184 | 147.7 Ų | 147.7 | 81% | 0.807 | 81% | 0.805 | S | S | * | * | trans | -74.9 | 93.5 | 160.1 | -88.3 | -81.5 | 0 | 0 | 0 | 108.8 | H195 | H195-F197 HydrophobicContact CB-CD2 4.01Å; H195-F197 HydrophobicContact CB-CE2 4.24Å; H195-F197 AromaticContact CD2-CE2 3.66Å; H195-F197 PolarHBondContact O-N 3.18Å | ||
| 198 | N | 38.3 | Very low | 42.7 | Very low | 150 Ų | 150 | 147.2 Ų | 147.2 | 80% | 0.802 | 80% | 0.804 | S | S | * | * | trans | -81.8 | 121.4 | 162.9 | -170.5 | -31.9 | 0 | 0 | 0 | 108.3 | S196 | S196-N198 PolarHBondContact O-N 3.43Å; S196-N198 VanDerWaalsContact O-N 3.17Å | ||
| 199 | A | 38.9 | Very low | 42.6 | Very low | 85 Ų | 85 | 149 Ų | 149 | 70% | 0.702 | 81% | 0.807 | S | S | * | * | trans | -104.2 | 124.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 200 | K | 38.6 | Very low | 42.5 | Very low | 194 Ų | 194 | 149.2 Ų | 149.2 | 84% | 0.843 | 81% | 0.809 | S | S | * | * | trans | 76.6 | 160.9 | 151.2 | -85.4 | 174.7 | 176.3 | 175.3 | 0 | 119.4 | ||||
| 201 | P | 47.3 | Very low | 42.1 | Very low | 116 Ų | 116 | 147.7 Ų | 147.7 | 75% | 0.753 | 80% | 0.803 | S | S | * | * | cis | -128.4 | 171 | -1.2 | 29.5 | -8.2 | 0 | 0 | 0 | 115.2 | ||||
| 202 | F | 47.8 | Very low | 41.7 | Very low | 214 Ų | 214 | 152.4 Ų | 152.4 | 94% | 0.939 | 81% | 0.814 | S | S | * | * | trans | -62.7 | 133.3 | 164.6 | -70.2 | -90.9 | 0 | 0 | 0 | 112 | ||||
| 203 | A | 42.1 | Very low | 41.7 | Very low | 93 Ų | 93 | 152.1 Ų | 152.1 | 77% | 0.769 | 82% | 0.82 | S | S | * | * | trans | -149.1 | 104.8 | 152.6 | 0 | 0 | 0 | 0 | 0 | 105 | ||||
| 204 | S | 44.6 | Very low | 41.8 | Very low | 112 Ų | 112 | 151.1 Ų | 151.1 | 78% | 0.783 | 82% | 0.824 | S | S | * | * | 53.7 | 99 | 90.7 | -163.7 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 205 | E | 38.8 | Very low | 41.4 | Very low | 178 Ų | 178 | 154.2 Ų | 154.2 | 83% | 0.832 | 84% | 0.842 | S | S | * | * | -171.4 | 133.5 | 122.1 | -102.1 | 174 | 169.4 | 0 | 0 | 110.6 | |||||
| 206 | L | 39.8 | Very low | 41.6 | Very low | 246 Ų | 246 | 154.3 Ų | 154.3 | 100% | 1.288 | 85% | 0.854 | S | S | * | * | trans | 5.9 | 0 | 166.3 | -77.2 | 118.2 | 0 | 0 | 0 | 120.8 |
Retrieved 206 of 206 residues in 396.5 ms
(Link to these results)