| 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 | 38 | Very low | 50 | Low | 233 Ų | 233 | 141.3 Ų | 141.3 | 100% | 1.148 | 83% | 0.833 | S | S | * | * | 0 | 100.2 | 0 | -98.9 | -171.2 | 168.4 | 0 | 0 | 105.8 | |||||
| 2 | D | 40 | Very low | 51.9 | Low | 157 Ų | 157 | 142.6 Ų | 142.6 | 84% | 0.84 | 83% | 0.833 | S | S | * | * | trans | -113.5 | 126.3 | -150 | -54.4 | -1.1 | 0 | 0 | 0 | 108.2 | A4 | D2-A4 PolarHBondContact O-N 3.04Š| ||
| 3 | N | 45.5 | Very low | 53.7 | Low | 155 Ų | 155 | 142.2 Ų | 142.2 | 83% | 0.829 | 82% | 0.816 | S | S | * | * | trans | -76.9 | 126.1 | -160.4 | -165.8 | 6.9 | 0 | 0 | 0 | 112 | S5 | N3-S5 PolarHBondContact O-N 3.47Š| ||
| 4 | A | 52.4 | Low | 55.7 | Low | 99 Ų | 99 | 138.9 Ų | 138.9 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | -83.5 | 79.6 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | D2 | D2-A4 PolarHBondContact O-N 3.04Š| ||
| 5 | S | 53.2 | Low | 57.4 | Low | 101 Ų | 101 | 142.4 Ų | 142.4 | 71% | 0.706 | 79% | 0.789 | S | S | * | * | trans | -113.7 | 57 | 170.8 | 66.7 | 0 | 0 | 0 | 0 | 111.7 | N3 | N3-S5 PolarHBondContact O-N 3.47Š| ||
| 6 | S | 43.4 | Very low | 58.5 | Low | 114 Ų | 114 | 143.6 Ų | 143.6 | 80% | 0.797 | 79% | 0.794 | S | S | * | * | trans | -71.7 | 128.4 | 171.9 | -168.7 | 0 | 0 | 0 | 0 | 110 | F8 | S6-F8 PolarHBondContact O-N 3.16Å; S6-F8 VanDerWaalsContact O-N 3.16Å | ||
| 7 | T | 48.9 | Very low | 59.3 | Low | 130 Ų | 130 | 139.3 Ų | 139.3 | 80% | 0.798 | 78% | 0.782 | S | S | * | * | trans | -71.4 | 106 | -171.2 | 48.7 | 0 | 0 | 0 | 0 | 112.2 | G9 | T7-G9 PolarHBondContact O-N 3.06Š| ||
| 8 | F | 47.9 | Very low | 60.2 | Low | 203 Ų | 203 | 135.7 Ų | 135.7 | 89% | 0.89 | 76% | 0.759 | S | S | * | * | trans | -68.4 | 97.8 | 153.3 | -82.3 | -86.9 | 0 | 0 | 0 | 108.3 | S6 Q10 | S6-F8 PolarHBondContact O-N 3.16Å; S6-F8 VanDerWaalsContact O-N 3.16Å; F8-Q10 PolarHBondContact O-N 3.15Å; F8-Q10 VanDerWaalsContact O-N 3.15Å | ||
| 9 | G | 54.1 | Low | 60.6 | Low | 69 Ų | 69 | 135.9 Ų | 135.9 | 71% | 0.711 | 76% | 0.759 | S | S | * | * | trans | -62.9 | 113.2 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | T7 S11 | T7-G9 PolarHBondContact O-N 3.06Å; G9-S11 PolarHBondContact O-N 2.95Å; G9-S11 VanDerWaalsContact O-N 3.08Å | ||
| 10 | Q | 58.6 | Low | 60.9 | Low | 184 Ų | 184 | 134.3 Ų | 134.3 | 86% | 0.86 | 75% | 0.752 | S | S | * | * | trans | -67 | 106.5 | 167.4 | -71.4 | 179.5 | -37.8 | 0 | 0 | 107.2 | F8 D12 | F8-Q10 PolarHBondContact O-N 3.15Å; F8-Q10 VanDerWaalsContact O-N 3.15Å; Q10-D12 PolarHBondContact O-N 2.75Å | ||
| 11 | S | 68.1 | Low | 61 | Low | 109 Ų | 109 | 129.4 Ų | 129.4 | 76% | 0.762 | 73% | 0.732 | S | S | * | * | trans | -68.1 | 109.8 | 164.3 | 53.6 | 0 | 0 | 0 | 0 | 107.3 | G9 F13 | G9-S11 PolarHBondContact O-N 2.95Å; G9-S11 VanDerWaalsContact O-N 3.08Å; S11-F13 PolarHBondContact O-N 2.95Å; S11-F13 VanDerWaalsContact O-N 3.1Å | ||
| 12 | D | 72.5 | Confident | 62.1 | Low | 157 Ų | 157 | 125.1 Ų | 125.1 | 84% | 0.84 | 71% | 0.714 | S | S | * | * | trans | -52.7 | 119.7 | 175 | -73 | -49.6 | 0 | 0 | 0 | 109.3 | Q10 D14 | Q10-D12 PolarHBondContact O-N 2.75Å; D12-D14 PolarHBondContact O-N 2.79Å | ||
| 13 | F | 76.1 | Confident | 63 | Low | 138 Ų | 138 | 127.1 Ų | 127.1 | 61% | 0.605 | 71% | 0.711 | S | S | * | * | trans | -76.6 | 111.5 | -174.1 | 177.1 | -102.1 | 0 | 0 | 0 | 109.4 | S11 W15 I18 | S11-F13 PolarHBondContact O-N 2.95Å; S11-F13 VanDerWaalsContact O-N 3.1Å; F13-W15 HydrophobicContact CD1-CD2 4.04Å; F13-W15 AromaticContact CD1-CE2 3.74Å; F13-W15 HydrophobicContact CD1-CG 4.37Å; F13-W15 HydrophobicContact CD1-CZ2 4Å; F13-W15 AromaticContact CD1-NE1 3.9Å; F13-W15 HydrophobicContact CE1-CD2 4.05Å; F13-W15 HydrophobicContact CE1-CE3 4.13Å; F13-W15 HydrophobicContact CE1-CH2 4.29Å; F13-W15 HydrophobicContact CE1-CZ2 4.23Å; F13-W15 HydrophobicContact CE1-CZ3 4.24Å; F13-W15 PolarHBondContact O-N 3.09Å; F13-I18 HydrophobicContact CE1-CD1 3.96Å; F13-I18 HydrophobicContact CE1-CG1 4.4Å; F13-I18 HydrophobicContact CZ-CD1 4.21Å; F13-I18 HydrophobicContact CZ-CG1 4.29Å | ||
| 14 | D | 80.6 | Confident | 63.6 | Low | 95 Ų | 95 | 127.9 Ų | 127.9 | 51% | 0.508 | 71% | 0.71 | S | S | . | * | trans | -70.5 | 107.6 | -179.2 | -174.9 | -2.6 | 0 | 0 | 0 | 110.9 | D12 D16 A17 | D12-D14 PolarHBondContact O-N 2.79Å; D14-D16 VanDerWaalsContact C-N 3.34Å; D14-D16 WeakPolarHBondContact OD1-CA 3.28Å; D14-D16 WeakPolarHBondContact OD1-CB 3.37Å; D14-D16 PolarHBondContact OD1-N 3.36Å; D14-A17 HydrophobicContact CB-CB 3.92Å; D14-A17 PolarHBondContact O-N 3.35Å; D14-A17 PolarHBondContact OD1-N 3.08Å | ||
| 15 | W | 81.6 | Confident | 64 | Low | 192 Ų | 192 | 130.2 Ų | 130.2 | 73% | 0.727 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -74 | -24.5 | 177.3 | -67.5 | 88.2 | 0 | 0 | 0 | 112.6 | F13 A17 I18 | F13-W15 HydrophobicContact CD1-CD2 4.04Å; F13-W15 AromaticContact CD1-CE2 3.74Å; F13-W15 HydrophobicContact CD1-CG 4.37Å; F13-W15 HydrophobicContact CD1-CZ2 4Å; F13-W15 AromaticContact CD1-NE1 3.9Å; F13-W15 HydrophobicContact CE1-CD2 4.05Å; F13-W15 HydrophobicContact CE1-CE3 4.13Å; F13-W15 HydrophobicContact CE1-CH2 4.29Å; F13-W15 HydrophobicContact CE1-CZ2 4.23Å; F13-W15 HydrophobicContact CE1-CZ3 4.24Å; F13-W15 PolarHBondContact O-N 3.09Å; W15-A17 VanDerWaalsContact C-N 3.31Å; W15-I18 HydrophobicContact CD2-CD1 4.38Å; W15-I18 HydrophobicContact CE3-CD1 3.53Å; W15-I18 HydrophobicContact CZ3-CD1 4.01Å; W15-I18 WeakPolarHBondContact O-CB 3.47Å; W15-I18 WeakPolarHBondContact O-CG1 3.18Å; W15-I18 PolarHBondContact O-N 3.23Å |
| 16 | D | 74.6 | Confident | 64.3 | Low | 161 Ų | 161 | 130.8 Ų | 130.8 | 86% | 0.861 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | -19.6 | 177.8 | -65.6 | -21.6 | 0 | 0 | 0 | 111.3 | D14 I18 | D14-D16 VanDerWaalsContact C-N 3.34Å; D14-D16 WeakPolarHBondContact OD1-CA 3.28Å; D14-D16 WeakPolarHBondContact OD1-CB 3.37Å; D14-D16 PolarHBondContact OD1-N 3.36Å; D16-I18 PolarHBondContact O-N 3.33Å |
| 17 | A | 73.5 | Confident | 65.1 | Low | 71 Ų | 71 | 131.9 Ų | 131.9 | 59% | 0.587 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.3 | -9.2 | 169.6 | 0 | 0 | 0 | 0 | 0 | 114 | D14 W15 N19 | D14-A17 HydrophobicContact CB-CB 3.92Å; D14-A17 PolarHBondContact O-N 3.35Å; D14-A17 PolarHBondContact OD1-N 3.08Å; W15-A17 VanDerWaalsContact C-N 3.31Å; A17-N19 PolarHBondContact O-N 2.92Å; A17-N19 VanDerWaalsContact O-N 3.07Å |
| 18 | I | 74.9 | Confident | 65.7 | Low | 74 Ų | 74 | 130 Ų | 130 | 38% | 0.379 | 69% | 0.688 | S | S | . | * | trans | -74 | 100.9 | 175 | -55 | 177.1 | 0 | 0 | 0 | 109.1 | F13 W15 D16 V20 | F13-I18 HydrophobicContact CE1-CD1 3.96Å; F13-I18 HydrophobicContact CE1-CG1 4.4Å; F13-I18 HydrophobicContact CZ-CD1 4.21Å; F13-I18 HydrophobicContact CZ-CG1 4.29Å; W15-I18 HydrophobicContact CD2-CD1 4.38Å; W15-I18 HydrophobicContact CE3-CD1 3.53Å; W15-I18 HydrophobicContact CZ3-CD1 4.01Å; W15-I18 WeakPolarHBondContact O-CB 3.47Å; W15-I18 WeakPolarHBondContact O-CG1 3.18Å; W15-I18 PolarHBondContact O-N 3.23Å; D16-I18 PolarHBondContact O-N 3.33Å; I18-V20 VanDerWaalsContact C-N 3.32Å; I18-V20 HydrophobicContact CG2-CG2 4.33Å; I18-V20 VanDerWaalsContact O-CG2 3.23Å; I18-V20 WeakPolarHBondContact O-CG2 3.46Å; I18-V20 PolarHBondContact O-N 2.8Å | ||
| 19 | N | 66.8 | Low | 66.1 | Low | 141 Ų | 141 | 127.8 Ų | 127.8 | 75% | 0.754 | 68% | 0.68 | S | S | * | * | trans | -70.1 | 89.6 | 169.5 | -173.7 | -15.9 | 0 | 0 | 0 | 110.3 | A17 G21 | A17-N19 PolarHBondContact O-N 2.92Å; A17-N19 VanDerWaalsContact O-N 3.07Å; N19-G21 PolarHBondContact O-N 3.1Å; N19-G21 VanDerWaalsContact O-N 3.14Å; N19-G21 PolarHBondContact OD1-N 3.21Å; N19-G21 VanDerWaalsContact OD1-N 3.12Å | ||
| 20 | V | 66.4 | Low | 66.5 | Low | 102 Ų | 102 | 128.6 Ų | 128.6 | 62% | 0.618 | 67% | 0.668 | S | S | * | * | trans | -70 | -1.4 | -179.6 | -142.9 | 0 | 0 | 0 | 0 | 113.3 | I18 Y23 | I18-V20 VanDerWaalsContact C-N 3.32Å; I18-V20 HydrophobicContact CG2-CG2 4.33Å; I18-V20 VanDerWaalsContact O-CG2 3.23Å; I18-V20 WeakPolarHBondContact O-CG2 3.46Å; I18-V20 PolarHBondContact O-N 2.8Å; V20-Y23 WeakPolarHBondContact CG2-OH 3.49Å | ||
| 21 | G | 64.1 | Low | 66.6 | Low | 33 Ų | 33 | 127.1 Ų | 127.1 | 34% | 0.34 | 66% | 0.659 | S | S | . | * | trans | 86 | 166.8 | -170.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | N19 Y23 | N19-G21 PolarHBondContact O-N 3.1Å; N19-G21 VanDerWaalsContact O-N 3.14Å; N19-G21 PolarHBondContact OD1-N 3.21Å; N19-G21 VanDerWaalsContact OD1-N 3.12Å; G21-Y23 PolarHBondContact O-N 3.29Å | ||
| 22 | D | 60.8 | Low | 65.9 | Low | 143 Ų | 143 | 128.1 Ų | 128.1 | 77% | 0.765 | 65% | 0.65 | S | S | * | * | trans | -59.6 | 116.6 | -172.3 | -53.1 | 20.5 | 0 | 0 | 0 | 111.2 | Q24 | D22-Q24 HydrophobicContact CB-CB 4.35Å; D22-Q24 HydrophobicContact CB-CG 4.46Å; D22-Q24 PolarHBondContact O-N 2.99Å | ||
| 23 | Y | 59.2 | Low | 65.1 | Low | 199 Ų | 199 | 122.8 Ų | 122.8 | 78% | 0.78 | 63% | 0.627 | S | S | * | * | trans | -63.5 | 9.8 | 173.6 | -67.4 | -85.5 | 0 | 0 | 0 | 114.3 | V20 G21 L25 | V20-Y23 WeakPolarHBondContact CG2-OH 3.49Å; G21-Y23 PolarHBondContact O-N 3.29Å; Y23-L25 PolarHBondContact O-N 3.34Å | ||
| 24 | Q | 58.7 | Low | 64.2 | Low | 170 Ų | 170 | 120 Ų | 120 | 79% | 0.794 | 63% | 0.629 | S | S | * | * | trans | -72.5 | 56.3 | 170.6 | -64.8 | -78.4 | -23 | 0 | 0 | 110.6 | D22 D26 | D22-Q24 HydrophobicContact CB-CB 4.35Å; D22-Q24 HydrophobicContact CB-CG 4.46Å; D22-Q24 PolarHBondContact O-N 2.99Å; Q24-D26 PolarHBondContact O-N 3.08Å | ||
| 25 | L | 59 | Low | 63 | Low | 148 Ų | 148 | 124.2 Ų | 124.2 | 78% | 0.775 | 64% | 0.638 | S | S | * | * | trans | -69.8 | 80.9 | 163.6 | -86.8 | 167.6 | 0 | 0 | 0 | 108.4 | Y23 H27 | Y23-L25 PolarHBondContact O-N 3.34Å; L25-H27 PolarHBondContact O-N 3.34Å; L25-H27 VanDerWaalsContact O-N 3.09Å; L25-H27 PolarHBondContact O-ND1 3.24Å | ||
| 26 | D | 59.6 | Low | 61.6 | Low | 113 Ų | 113 | 118.5 Ų | 118.5 | 60% | 0.604 | 63% | 0.632 | S | S | * | * | trans | -54.9 | 116.9 | 172.7 | -170.9 | 18.7 | 0 | 0 | 0 | 108.3 | Q24 S28 N30 | Q24-D26 PolarHBondContact O-N 3.08Å; D26-S28 PolarHBondContact O-N 3.15Å; D26-N30 WeakPolarHBondContact OD1-CB 3.29Å; D26-N30 PolarHBondContact OD1-ND2 3.37Å | ||
| 27 | H | 61.2 | Low | 60.7 | Low | 137 Ų | 137 | 116.2 Ų | 116.2 | 63% | 0.634 | 62% | 0.62 | S | S | * | * | trans | -64.5 | 134.5 | -166.6 | -70.6 | 23.9 | 0 | 0 | 0 | 108.8 | L25 Q29 N30 | L25-H27 PolarHBondContact O-N 3.34Å; L25-H27 VanDerWaalsContact O-N 3.09Å; L25-H27 PolarHBondContact O-ND1 3.24Å; H27-Q29 PolarHBondContact O-N 2.76Å; H27-N30 WeakPolarHBondContact O-CB 3.16Å; H27-N30 PolarHBondContact O-N 3.19Å | ||
| 28 | S | 62.2 | Low | 59.7 | Low | 92 Ų | 92 | 120.8 Ų | 120.8 | 64% | 0.643 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -55.2 | -21.3 | -172.3 | 56.6 | 0 | 0 | 0 | 0 | 114.1 | D26 N30 F31 F32 | D26-S28 PolarHBondContact O-N 3.15Å; S28-N30 PolarHBondContact O-N 2.94Å; S28-F31 VanDerWaalsContact O-CB 3.31Å; S28-F31 WeakPolarHBondContact O-CB 3.49Å; S28-F31 PolarHBondContact O-N 2.89Å; S28-F32 WeakPolarHBondContact O-CD2 3.42Å |
| 29 | Q | 56.5 | Low | 58.6 | Low | 155 Ų | 155 | 125.3 Ų | 125.3 | 72% | 0.724 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -58.1 | -38.9 | 170.3 | -157.5 | 165.2 | 7.7 | 0 | 0 | 113.5 | H27 F31 F32 A33 | H27-Q29 PolarHBondContact O-N 2.76Å; Q29-F31 PolarHBondContact O-N 3.22Å; Q29-F32 PolarHBondContact O-N 3.28Å; Q29-A33 PolarHBondContact O-N 3.5Å |
| 30 | N | 61.7 | Low | 57.9 | Low | 86 Ų | 86 | 125.6 Ų | 125.6 | 46% | 0.46 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -65.6 | -37.1 | 175.8 | -74.6 | -15.6 | 0 | 0 | 0 | 112.2 | D26 H27 S28 F32 A33 A34 | D26-N30 WeakPolarHBondContact OD1-CB 3.29Å; D26-N30 PolarHBondContact OD1-ND2 3.37Å; H27-N30 WeakPolarHBondContact O-CB 3.16Å; H27-N30 PolarHBondContact O-N 3.19Å; S28-N30 PolarHBondContact O-N 2.94Å; N30-F32 PolarHBondContact O-N 3.1Å; N30-A33 PolarHBondContact O-N 3.28Å; N30-A33 VanDerWaalsContact O-N 3.16Å; N30-A34 PolarHBondContact O-N 3.13Å |
| 31 | F | 60.4 | Low | 57.1 | Low | 153 Ų | 153 | 126.7 Ų | 126.7 | 67% | 0.671 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -59.1 | -32.9 | 178 | -166 | -94.6 | 0 | 0 | 0 | 112.4 | S28 Q29 | S28-F31 VanDerWaalsContact O-CB 3.31Å; S28-F31 WeakPolarHBondContact O-CB 3.49Å; S28-F31 PolarHBondContact O-N 2.89Å; Q29-F31 PolarHBondContact O-N 3.22Å |
| 32 | F | 53 | Low | 56.3 | Low | 131 Ų | 131 | 136.5 Ų | 136.5 | 58% | 0.575 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -85.8 | -37.2 | 173.6 | -63.7 | -73.8 | 0 | 0 | 0 | 112.8 | S28 Q29 N30 A34 R35 A36 | S28-F32 WeakPolarHBondContact O-CD2 3.42Å; Q29-F32 PolarHBondContact O-N 3.28Å; N30-F32 PolarHBondContact O-N 3.1Å; F32-A34 VanDerWaalsContact C-N 3.34Å; F32-A34 PolarHBondContact O-N 2.85Å; F32-R35 WeakPolarHBondContact O-CA 3.41Å; F32-R35 WeakPolarHBondContact O-CB 2.79Å; F32-R35 PolarHBondContact O-N 3.03Å; F32-A36 PolarHBondContact O-N 3.39Å |
| 33 | A | 56.7 | Low | 55.7 | Low | 44 Ų | 44 | 135.1 Ų | 135.1 | 36% | 0.364 | 68% | 0.678 | S | S | . | * | H | α-helix | trans | -60.6 | -38.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q29 N30 R35 N37 | Q29-A33 PolarHBondContact O-N 3.5Å; N30-A33 PolarHBondContact O-N 3.28Å; N30-A33 VanDerWaalsContact O-N 3.16Å; A33-R35 PolarHBondContact O-N 3.5Å; A33-N37 PolarHBondContact O-N 2.86Å; A33-N37 PolarHBondContact O-ND2 3.07Å |
| 34 | A | 56.8 | Low | 55 | Low | 79 Ų | 79 | 133.8 Ų | 133.8 | 65% | 0.653 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -66.4 | -22.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | N30 F32 | N30-A34 PolarHBondContact O-N 3.13Å; F32-A34 VanDerWaalsContact C-N 3.34Å; F32-A34 PolarHBondContact O-N 2.85Å |
| 35 | R | 55.3 | Low | 54.3 | Low | 184 Ų | 184 | 130.3 Ų | 130.3 | 69% | 0.694 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -87.5 | -42.6 | 178.2 | -149.8 | 175.2 | -170.5 | 179.8 | 2.7 | 111.7 | F32 A33 K38 | F32-R35 WeakPolarHBondContact O-CA 3.41Å; F32-R35 WeakPolarHBondContact O-CB 2.79Å; F32-R35 PolarHBondContact O-N 3.03Å; A33-R35 PolarHBondContact O-N 3.5Å; R35-K38 VanDerWaalsContact O-CB 3.27Å; R35-K38 WeakPolarHBondContact O-CB 3.44Å; R35-K38 PolarHBondContact O-N 3.32Å |
| 36 | A | 53.3 | Low | 53.9 | Low | 73 Ų | 73 | 131.2 Ų | 131.2 | 60% | 0.603 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -63 | -41.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | F32 K38 | F32-A36 PolarHBondContact O-N 3.39Å; A36-K38 PolarHBondContact O-N 2.84Å; A36-K38 VanDerWaalsContact O-N 3.15Å |
| 37 | N | 53.7 | Low | 53 | Low | 113 Ų | 113 | 132.4 Ų | 132.4 | 60% | 0.604 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.7 | -5.6 | 179.9 | -76.3 | -69.2 | 0 | 0 | 0 | 114.6 | A33 E39 | A33-N37 PolarHBondContact O-N 2.86Å; A33-N37 PolarHBondContact O-ND2 3.07Å; N37-E39 VanDerWaalsContact C-N 3.33Å; N37-E39 PolarHBondContact O-N 3.14Å |
| 38 | K | 52.9 | Low | 52.1 | Low | 166 Ų | 166 | 131.4 Ų | 131.4 | 72% | 0.722 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.7 | -21.1 | -174.2 | -166.6 | 166.3 | -176 | 170.1 | 0 | 113.8 | R35 A36 | R35-K38 VanDerWaalsContact O-CB 3.27Å; R35-K38 WeakPolarHBondContact O-CB 3.44Å; R35-K38 PolarHBondContact O-N 3.32Å; A36-K38 PolarHBondContact O-N 2.84Å; A36-K38 VanDerWaalsContact O-N 3.15Å |
| 39 | E | 52 | Low | 51.3 | Low | 169 Ų | 169 | 132.7 Ų | 132.7 | 79% | 0.79 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -83 | -30.9 | -173.6 | -58.1 | -169.3 | -173.3 | 0 | 0 | 112.7 | N37 N41 | N37-E39 VanDerWaalsContact C-N 3.33Å; N37-E39 PolarHBondContact O-N 3.14Å; E39-N41 VanDerWaalsContact C-N 3.34Å; E39-N41 PolarHBondContact O-N 3.23Å |
| 40 | N | 53.5 | Low | 50.7 | Low | 147 Ų | 147 | 132.1 Ų | 132.1 | 79% | 0.786 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | -8.5 | -174.8 | -160.2 | 25.6 | 0 | 0 | 0 | 114.9 | ||
| 41 | N | 47.8 | Very low | 50.3 | Low | 125 Ų | 125 | 135.7 Ų | 135.7 | 67% | 0.668 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.7 | 21.1 | -173 | -75.2 | -73.7 | 0 | 0 | 0 | 114.2 | E39 S43 | E39-N41 VanDerWaalsContact C-N 3.34Å; E39-N41 PolarHBondContact O-N 3.23Å; N41-S43 PolarHBondContact O-N 2.95Å |
| 42 | R | 48.2 | Very low | 49.6 | Very low | 240 Ų | 240 | 135.9 Ų | 135.9 | 91% | 0.906 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.3 | 25.3 | -175.2 | -150.6 | -171.6 | 177.4 | -172.3 | -1 | 114.9 | ||
| 43 | S | 48.6 | Very low | 49 | Very low | 113 Ų | 113 | 135.4 Ų | 135.4 | 79% | 0.79 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.8 | 26.1 | -172.1 | -164.7 | 0 | 0 | 0 | 0 | 115.2 | N41 | N41-S43 PolarHBondContact O-N 2.95Š|
| 44 | L | 43.5 | Very low | 48.2 | Very low | 172 Ų | 172 | 140.2 Ų | 140.2 | 90% | 0.901 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -129.9 | 153.5 | 162.9 | -74.2 | 178.5 | 0 | 0 | 0 | 111 | ||
| 45 | S | 45.2 | Very low | 47.6 | Very low | 97 Ų | 97 | 142.1 Ų | 142.1 | 68% | 0.678 | 77% | 0.767 | S | S | * | * | trans | -95.5 | 154.4 | -154.4 | 48.3 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 46 | N | 50.3 | Low | 46.7 | Very low | 167 Ų | 167 | 139 Ų | 139 | 89% | 0.893 | 77% | 0.771 | S | S | * | * | trans | 41.7 | 76.7 | 152.4 | -66.6 | -16.3 | 0 | 0 | 0 | 118.2 | ||||
| 47 | V | 40.6 | Very low | 46 | Very low | 137 Ų | 137 | 144.5 Ų | 144.5 | 83% | 0.83 | 78% | 0.784 | S | S | * | * | trans | -129.1 | 140.6 | 155.3 | -166 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 48 | N | 42.3 | Very low | 45.6 | Very low | 116 Ų | 116 | 148.1 Ų | 148.1 | 62% | 0.62 | 79% | 0.794 | S | S | * | * | trans | -74.4 | 122.8 | -172.2 | -169.1 | -1.1 | 0 | 0 | 0 | 111.3 | L50 | N48-L50 PolarHBondContact O-N 3.42Š| ||
| 49 | P | 45.7 | Very low | 45.2 | Very low | 120 Ų | 120 | 148 Ų | 148 | 78% | 0.779 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -76.3 | 13.4 | -166.8 | 30.8 | -38.4 | 0 | 0 | 0 | 116.4 | L51 | P49-L51 PolarHBondContact O-N 3.4Š|
| 50 | L | 43.3 | Very low | 44.4 | Very low | 142 Ų | 142 | 143.3 Ų | 143.3 | 74% | 0.743 | 80% | 0.798 | S | S | * | * | trans | -94 | 21.5 | -170.5 | -63.3 | 175.8 | 0 | 0 | 0 | 115 | N48 | N48-L50 PolarHBondContact O-N 3.42Š| ||
| 51 | L | 52.7 | Low | 43.6 | Very low | 161 Ų | 161 | 148 Ų | 148 | 84% | 0.843 | 80% | 0.804 | S | S | * | * | trans | -125.2 | 31.1 | -174.6 | -73.8 | 174.7 | 0 | 0 | 0 | 114.4 | P49 | P49-L51 PolarHBondContact O-N 3.4Š| ||
| 52 | L | 47 | Very low | 43.4 | Very low | 158 Ų | 158 | 150.3 Ų | 150.3 | 83% | 0.827 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -130.1 | 136.4 | 167.9 | -72.5 | 169.9 | 0 | 0 | 0 | 110.2 | ||
| 53 | C | 39.6 | Very low | 42.8 | Very low | 121 Ų | 121 | 145.4 Ų | 145.4 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | 67.2 | 92.2 | 177.7 | -54.5 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 54 | T | 39.4 | Very low | 42.2 | Very low | 144 Ų | 144 | 148.7 Ų | 148.7 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | trans | -83.2 | 105.3 | 158.7 | 46.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 55 | T | 44.3 | Very low | 42 | Very low | 119 Ų | 119 | 147.5 Ų | 147.5 | 73% | 0.73 | 79% | 0.788 | S | S | * | * | trans | -75.8 | 125.3 | -177.5 | -40.1 | 0 | 0 | 0 | 0 | 112.5 | Q57 | T55-Q57 PolarHBondContact O-N 2.87Š| ||
| 56 | P | 37.1 | Very low | 41.4 | Very low | 120 Ų | 120 | 146.5 Ų | 146.5 | 78% | 0.779 | 79% | 0.793 | S | S | * | * | trans | -82.8 | 100.5 | 171.8 | 31.7 | -31.8 | 0 | 0 | 0 | 111 | ||||
| 57 | Q | 38.9 | Very low | 40.9 | Very low | 188 Ų | 188 | 146.1 Ų | 146.1 | 88% | 0.879 | 79% | 0.791 | S | S | * | * | trans | -81.3 | 126.7 | 166 | -75.8 | -173.6 | -22.2 | 0 | 0 | 110.5 | T55 | T55-Q57 PolarHBondContact O-N 2.87Š| ||
| 58 | K | 44.8 | Very low | 40.3 | Very low | 188 Ų | 188 | 148.9 Ų | 148.9 | 82% | 0.817 | 79% | 0.792 | S | S | * | * | trans | -108 | 111.9 | 165.2 | -84.2 | -171.7 | 176.5 | 177.9 | 0 | 111.1 | ||||
| 59 | I | 44.6 | Very low | 40.1 | Very low | 163 Ų | 163 | 150.2 Ų | 150.2 | 84% | 0.836 | 80% | 0.799 | S | S | * | * | trans | 57.8 | 127.7 | 131.5 | -54.6 | 167.1 | 0 | 0 | 0 | 118.6 | ||||
| 60 | G | 34.3 | Very low | 39.4 | Very low | 72 Ų | 72 | 148 Ų | 148 | 74% | 0.742 | 80% | 0.799 | S | S | * | * | trans | 140.4 | 100.4 | 132.3 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 61 | R | 37.7 | Very low | 38.8 | Very low | 245 Ų | 245 | 150.3 Ų | 150.3 | 93% | 0.925 | 80% | 0.803 | S | S | * | * | trans | -160.9 | 140.8 | 135 | -142.7 | 176.6 | -170.2 | -142.4 | 0.3 | 111.7 | ||||
| 62 | E | 42.4 | Very low | 37.9 | Very low | 173 Ų | 173 | 150.5 Ų | 150.5 | 81% | 0.808 | 80% | 0.804 | S | S | * | * | trans | -81 | 155.5 | 174.1 | -52.2 | 171.5 | 119.5 | 0 | 0 | 111.8 | ||||
| 63 | Q | 36 | Very low | 37.2 | Very low | 138 Ų | 138 | 149.9 Ų | 149.9 | 65% | 0.645 | 80% | 0.8 | S | S | * | * | -173.3 | 124.6 | 108.9 | -101.3 | -177.4 | 44.2 | 0 | 0 | 114.2 | |||||
| 64 | R | 36.1 | Very low | 36.9 | Very low | 182 Ų | 182 | 149.5 Ų | 149.5 | 69% | 0.687 | 80% | 0.799 | S | S | * | * | trans | 64 | 128.4 | 135.2 | -77.1 | -168.8 | -69.2 | 175.8 | -1.8 | 123.6 | ||||
| 65 | D | 39.2 | Very low | 36.6 | Very low | 147 Ų | 147 | 147.5 Ų | 147.5 | 79% | 0.786 | 80% | 0.797 | S | S | * | * | trans | 68.4 | 123.1 | 131.7 | -46.2 | -13.2 | 0 | 0 | 0 | 120.5 | ||||
| 66 | G | 33.5 | Very low | 35.9 | Very low | 76 Ų | 76 | 145.4 Ų | 145.4 | 78% | 0.784 | 80% | 0.799 | S | S | * | * | trans | 159 | 104.5 | 173 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 67 | D | 38.8 | Very low | 35.6 | Very low | 159 Ų | 159 | 147.4 Ų | 147.4 | 85% | 0.85 | 80% | 0.803 | S | S | * | * | trans | -73.4 | 146.2 | -173.9 | -43.7 | -86.9 | 0 | 0 | 0 | 114.5 | ||||
| 68 | F | 29.1 | Very low | 35.5 | Very low | 195 Ų | 195 | 145.5 Ų | 145.5 | 86% | 0.855 | 80% | 0.798 | S | S | * | * | -168.5 | 161.4 | 120 | -136.3 | -106.2 | 0 | 0 | 0 | 115.1 | |||||
| 69 | D | 37.6 | Very low | 34.9 | Very low | 143 Ų | 143 | 146 Ų | 146 | 77% | 0.765 | 80% | 0.8 | S | S | * | * | trans | -55.5 | 156.6 | -172.4 | -66.3 | -48.8 | 0 | 0 | 0 | 118.1 | ||||
| 70 | G | 30.4 | Very low | 34.5 | Very low | 75 Ų | 75 | 147 Ų | 147 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | trans | -160.4 | 1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 71 | K | 32.2 | Very low | 34.1 | Very low | 189 Ų | 189 | 152.4 Ų | 152.4 | 82% | 0.822 | 80% | 0.804 | S | S | * | * | trans | 61.9 | 104.1 | 169 | -164.5 | 174 | -172.2 | 175.3 | 0 | 119.2 | ||||
| 72 | L | 33.3 | Very low | 33.9 | Very low | 165 Ų | 165 | 145.8 Ų | 145.8 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | trans | -64.4 | 147.4 | 160.6 | -173 | 75.5 | 0 | 0 | 0 | 112 | ||||
| 73 | I | 32.3 | Very low | 33.8 | Very low | 145 Ų | 145 | 143.2 Ų | 143.2 | 74% | 0.744 | 79% | 0.794 | S | S | * | * | trans | -131 | 138.8 | 162 | -58.6 | -177.3 | 0 | 0 | 0 | 108.9 | ||||
| 74 | S | 32.2 | Very low | 33.6 | Very low | 114 Ų | 114 | 146.3 Ų | 146.3 | 80% | 0.797 | 81% | 0.805 | S | S | * | * | trans | -85 | 168.2 | -170.4 | -163.2 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 75 | A | 32.8 | Very low | 33.2 | Very low | 102 Ų | 102 | 145 Ų | 145 | 84% | 0.843 | 81% | 0.812 | S | S | * | * | trans | -82 | 155.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 76 | G | 31.2 | Very low | 32.7 | Very low | 75 Ų | 75 | 144 Ų | 144 | 77% | 0.773 | 81% | 0.811 | S | S | * | * | trans | 164 | 134.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 77 | D | 29.8 | Very low | 32.5 | Very low | 161 Ų | 161 | 145.7 Ų | 145.7 | 86% | 0.861 | 81% | 0.806 | S | S | * | * | cis | -141 | 158.9 | 4.5 | -167.2 | 12.2 | 0 | 0 | 0 | 111.1 | ||||
| 78 | L | 36.4 | Very low | 32.1 | Very low | 148 Ų | 148 | 146.1 Ų | 146.1 | 78% | 0.775 | 80% | 0.803 | S | S | * | * | trans | -91.5 | 119.4 | 179 | -92.7 | 163.4 | 0 | 0 | 0 | 110.8 | ||||
| 79 | K | 33.3 | Very low | 32 | Very low | 200 Ų | 200 | 141 Ų | 141 | 87% | 0.87 | 80% | 0.796 | S | S | * | * | trans | -138.2 | 131.1 | 140.8 | -75.7 | -150.2 | 175.6 | -164.9 | 0 | 113.4 | ||||
| 80 | K | 34.9 | Very low | 31.7 | Very low | 184 Ų | 184 | 139 Ų | 139 | 80% | 0.8 | 79% | 0.794 | S | S | * | * | trans | -72.9 | 168.6 | 156.9 | -55.5 | 169.5 | -177.3 | 175 | 0 | 108.4 | ||||
| 81 | E | 27.6 | Very low | 31.8 | Very low | 185 Ų | 185 | 143.8 Ų | 143.8 | 86% | 0.864 | 79% | 0.793 | S | S | * | * | 179.5 | 167.3 | 123.5 | -86.6 | -66.3 | 118.1 | 0 | 0 | 106.3 | |||||
| 82 | S | 33.5 | Very low | 31.8 | Very low | 105 Ų | 105 | 141.8 Ų | 141.8 | 73% | 0.734 | 79% | 0.791 | S | S | * | * | trans | -124.7 | -178.2 | -170.7 | 73.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 83 | P | 40.2 | Very low | 31.6 | Very low | 119 Ų | 119 | 139 Ų | 139 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | trans | -79.5 | 154 | -153 | 33.2 | -37.8 | 0 | 0 | 0 | 115 | ||||
| 84 | K | 30.3 | Very low | 31.7 | Very low | 204 Ų | 204 | 138.8 Ų | 138.8 | 89% | 0.887 | 79% | 0.792 | S | S | * | * | trans | -144.1 | 127.7 | 164.3 | -75.4 | -175.1 | 176.3 | 171.3 | 0 | 111.9 | ||||
| 85 | D | 29.4 | Very low | 31.5 | Very low | 155 Ų | 155 | 139 Ų | 139 | 83% | 0.829 | 79% | 0.789 | S | S | * | * | trans | -80.3 | 155.1 | 158.7 | -59.2 | -72.5 | 0 | 0 | 0 | 110.8 | ||||
| 86 | T | 28.6 | Very low | 31.5 | Very low | 125 Ų | 125 | 139.3 Ų | 139.3 | 77% | 0.767 | 78% | 0.775 | S | S | * | * | trans | 177.7 | 110.9 | 147.6 | -69.2 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 87 | T | 28.1 | Very low | 31.7 | Very low | 112 Ų | 112 | 144.6 Ų | 144.6 | 69% | 0.687 | 78% | 0.777 | S | S | * | * | 49.9 | 134.8 | 91.9 | -8.1 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 88 | E | 31.4 | Very low | 32.4 | Very low | 168 Ų | 168 | 142.6 Ų | 142.6 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | cis | -146.7 | 179 | 39.7 | -74 | -84.1 | 132 | 0 | 0 | 109 | ||||
| 89 | A | 26 | Very low | 32 | Very low | 86 Ų | 86 | 144.6 Ų | 144.6 | 71% | 0.711 | 78% | 0.775 | S | S | * | * | cis | -150.8 | -172 | 7.5 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 90 | S | 30.9 | Very low | 31.8 | Very low | 101 Ų | 101 | 141.2 Ų | 141.2 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | cis | -163.3 | 173.1 | -7 | -158.2 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 91 | K | 34.2 | Very low | 31.6 | Very low | 176 Ų | 176 | 140.4 Ų | 140.4 | 77% | 0.765 | 77% | 0.77 | S | S | * | * | cis | -149.4 | 154.3 | 25.3 | -69.7 | 175.4 | 175.2 | 175.8 | 0 | 110.6 | ||||
| 92 | D | 30.7 | Very low | 32.2 | Very low | 147 Ų | 147 | 135.9 Ų | 135.9 | 79% | 0.786 | 76% | 0.757 | S | S | * | * | trans | 27.5 | 138.1 | 139.9 | -42.8 | -40.1 | 0 | 0 | 0 | 120.4 | ||||
| 93 | A | 30.7 | Very low | 31.9 | Very low | 107 Ų | 107 | 138.5 Ų | 138.5 | 88% | 0.884 | 76% | 0.757 | S | S | * | * | cis | -141.5 | 171.4 | 29.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 94 | L | 33.6 | Very low | 31.3 | Very low | 141 Ų | 141 | 139.7 Ų | 139.7 | 74% | 0.738 | 76% | 0.756 | S | S | * | * | trans | -101.8 | 155.7 | -165.5 | -166 | 73.9 | 0 | 0 | 0 | 113.1 | I96 | L94-I96 HydrophobicContact CD1-CD1 4.16Å; L94-I96 HydrophobicContact CD2-CD1 3.72Å; L94-I96 HydrophobicContact CG-CD1 3.82Å; L94-I96 HydrophobicContact CG-CG1 4.41Å | ||
| 95 | T | 27.1 | Very low | 31.3 | Very low | 118 Ų | 118 | 136.1 Ų | 136.1 | 72% | 0.724 | 75% | 0.752 | S | S | * | * | 150.6 | 105.5 | 127.8 | -64.8 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 96 | I | 33 | Very low | 31.7 | Very low | 109 Ų | 109 | 134.5 Ų | 134.5 | 56% | 0.559 | 75% | 0.749 | S | S | * | * | 75.9 | 130.3 | 71.2 | -71.3 | 170.7 | 0 | 0 | 0 | 112.2 | L94 | L94-I96 HydrophobicContact CD1-CD1 4.16Å; L94-I96 HydrophobicContact CD2-CD1 3.72Å; L94-I96 HydrophobicContact CG-CD1 3.82Å; L94-I96 HydrophobicContact CG-CG1 4.41Å | |||
| 97 | K | 35.7 | Very low | 31.6 | Very low | 186 Ų | 186 | 136.2 Ų | 136.2 | 81% | 0.809 | 75% | 0.749 | S | S | * | * | cis | -160.5 | 170.9 | -3.1 | -110.4 | 177.5 | -164.9 | 174.1 | 0 | 110.8 | ||||
| 98 | P | 45.8 | Very low | 31.7 | Very low | 118 Ų | 118 | 137.8 Ų | 137.8 | 77% | 0.766 | 75% | 0.752 | S | S | * | * | trans | -103.2 | 162.5 | -178.4 | 39.4 | -34.4 | 0 | 0 | 0 | 115.5 | ||||
| 99 | K | 27.4 | Very low | 31.6 | Very low | 190 Ų | 190 | 139.8 Ų | 139.8 | 83% | 0.826 | 76% | 0.758 | S | S | * | * | trans | -163.2 | 108.5 | 170.6 | -165 | 72.8 | 179.7 | 179.2 | 0 | 116.1 | ||||
| 100 | V | 29 | Very low | 31.9 | Very low | 129 Ų | 129 | 143.2 Ų | 143.2 | 78% | 0.782 | 76% | 0.764 | S | S | * | * | trans | 72.3 | 145.8 | 141.7 | 174.9 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 101 | E | 29.7 | Very low | 31.9 | Very low | 168 Ų | 168 | 147.6 Ų | 147.6 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | trans | -89.9 | -162.9 | 177.3 | -125.4 | -154.2 | 123.1 | 0 | 0 | 111.9 | ||||
| 102 | P | 40.4 | Very low | 31.7 | Very low | 90 Ų | 90 | 145 Ų | 145 | 58% | 0.584 | 77% | 0.769 | S | S | * | * | cis | -138.3 | -171.7 | 3.6 | 27.1 | 0.1 | 0 | 0 | 0 | 116.6 | ||||
| 103 | H | 27.3 | Very low | 31.7 | Very low | 160 Ų | 160 | 147.1 Ų | 147.1 | 74% | 0.741 | 78% | 0.775 | S | S | * | * | trans | 69.2 | 146.2 | 162.6 | -74.7 | -80 | 0 | 0 | 0 | 118.1 | ||||
| 104 | D | 27.2 | Very low | 31.7 | Very low | 143 Ų | 143 | 149 Ų | 149 | 77% | 0.765 | 77% | 0.769 | S | S | * | * | cis | -153.1 | -176.1 | 15.4 | -117.3 | -25.5 | 0 | 0 | 0 | 114 | ||||
| 105 | V | 32 | Very low | 31.6 | Very low | 130 Ų | 130 | 150.4 Ų | 150.4 | 79% | 0.788 | 77% | 0.772 | S | S | * | * | trans | -120.4 | 131.5 | -171.7 | 173.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 106 | P | 35.9 | Very low | 31.8 | Very low | 120 Ų | 120 | 153.2 Ų | 153.2 | 78% | 0.779 | 78% | 0.777 | S | S | * | * | -144.6 | 150.6 | 110.1 | 24.1 | -2.5 | 0 | 0 | 0 | 113.3 | |||||
| 107 | E | 28.4 | Very low | 31.8 | Very low | 162 Ų | 162 | 155.5 Ų | 155.5 | 76% | 0.757 | 79% | 0.789 | S | S | * | * | cis | 102.2 | 112.7 | 47.4 | -161.7 | -171.9 | -161.4 | 0 | 0 | 114.1 | ||||
| 108 | L | 29.9 | Very low | 31.7 | Very low | 144 Ų | 144 | 150.4 Ų | 150.4 | 75% | 0.754 | 78% | 0.781 | S | S | * | * | trans | 18.2 | 133.8 | 155.5 | -55.9 | 170.7 | 0 | 0 | 0 | 121.9 | ||||
| 109 | K | 28.6 | Very low | 31 | Very low | 211 Ų | 211 | 153.7 Ų | 153.7 | 92% | 0.917 | 79% | 0.786 | S | S | * | * | -163 | 167.7 | 119.4 | -104.3 | 140.7 | -161.9 | 158.8 | 0 | 114.6 | |||||
| 110 | L | 31.4 | Very low | 31.2 | Very low | 157 Ų | 157 | 151 Ų | 151 | 82% | 0.822 | 79% | 0.786 | S | S | * | * | trans | -120.8 | 171.3 | -171.9 | -74.3 | 162 | 0 | 0 | 0 | 111 | ||||
| 111 | K | 31.7 | Very low | 31.3 | Very low | 193 Ų | 193 | 149.9 Ų | 149.9 | 84% | 0.839 | 78% | 0.784 | S | S | * | * | trans | 79.5 | 158.3 | 166.4 | -53.6 | -178.5 | -175.9 | -178 | 0 | 115.8 | ||||
| 112 | T | 30.2 | Very low | 32 | Very low | 122 Ų | 122 | 147.2 Ų | 147.2 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | cis | -174.6 | 131.9 | -28.7 | -84.8 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 113 | E | 29.8 | Very low | 31.5 | Very low | 192 Ų | 192 | 150.4 Ų | 150.4 | 90% | 0.897 | 79% | 0.792 | S | S | * | * | trans | -148.7 | 154.7 | 165.6 | -160.3 | 152.3 | -153.1 | 0 | 0 | 111.3 | ||||
| 114 | L | 32.1 | Very low | 31.6 | Very low | 146 Ų | 146 | 149.9 Ų | 149.9 | 76% | 0.764 | 80% | 0.795 | S | S | * | * | trans | -135.7 | 138.9 | -170.5 | -99.1 | 173.7 | 0 | 0 | 0 | 111.3 | ||||
| 115 | Q | 30.1 | Very low | 31.9 | Very low | 171 Ų | 171 | 149.7 Ų | 149.7 | 80% | 0.799 | 79% | 0.794 | S | S | * | * | trans | 69.2 | 90.8 | 134.7 | -165.6 | 173.5 | 15.7 | 0 | 0 | 120.3 | ||||
| 116 | E | 32.7 | Very low | 31.7 | Very low | 177 Ų | 177 | 147.1 Ų | 147.1 | 83% | 0.827 | 79% | 0.793 | S | S | * | * | trans | -139.7 | 149.3 | 140 | -79.5 | -158.9 | 111.6 | 0 | 0 | 107.2 | ||||
| 117 | L | 33.1 | Very low | 32 | Very low | 157 Ų | 157 | 147.6 Ų | 147.6 | 82% | 0.822 | 80% | 0.797 | S | S | * | * | cis | -145.9 | 174.5 | -5.7 | -113.7 | 167.5 | 0 | 0 | 0 | 108.1 | ||||
| 118 | A | 32.1 | Very low | 32.3 | Very low | 78 Ų | 78 | 148.4 Ų | 148.4 | 65% | 0.645 | 80% | 0.8 | S | S | * | * | trans | -124.1 | 176.6 | -166.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 119 | Q | 33 | Very low | 32.7 | Very low | 187 Ų | 187 | 147.4 Ų | 147.4 | 87% | 0.874 | 80% | 0.803 | S | S | * | * | trans | 83.6 | 145.6 | 174.9 | -46.3 | 173.2 | 55.5 | 0 | 0 | 113.8 | ||||
| 120 | V | 31.5 | Very low | 33 | Very low | 133 Ų | 133 | 146.2 Ų | 146.2 | 81% | 0.806 | 80% | 0.8 | S | S | * | * | cis | -138.2 | 152.2 | 18.9 | 174.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 121 | S | 29.8 | Very low | 33.5 | Very low | 107 Ų | 107 | 146.2 Ų | 146.2 | 75% | 0.748 | 80% | 0.801 | S | S | * | * | trans | -108.2 | 176.8 | 176.9 | -24.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 122 | P | 45.1 | Very low | 33.9 | Very low | 112 Ų | 112 | 143.4 Ų | 143.4 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | cis | -153.9 | -178.7 | 45.1 | 44.7 | -22.8 | 0 | 0 | 0 | 119.4 | ||||
| 123 | L | 30.1 | Very low | 34.7 | Very low | 156 Ų | 156 | 144.6 Ų | 144.6 | 82% | 0.817 | 80% | 0.796 | S | S | * | * | trans | 60 | 112.8 | 159.3 | -96.6 | 73 | 0 | 0 | 0 | 120.6 | ||||
| 124 | D | 29.5 | Very low | 36 | Very low | 149 Ų | 149 | 143.6 Ų | 143.6 | 80% | 0.797 | 79% | 0.788 | S | S | * | * | -153.8 | -176.7 | 87.7 | -157.5 | -4.5 | 0 | 0 | 0 | 109.6 | |||||
| 125 | N | 32.1 | Very low | 36.6 | Very low | 140 Ų | 140 | 145.4 Ų | 145.4 | 75% | 0.749 | 79% | 0.793 | S | S | * | * | trans | -98.3 | 152.5 | -156.5 | -66.4 | -92.5 | 0 | 0 | 0 | 115.7 | ||||
| 126 | G | 29.5 | Very low | 37.6 | Very low | 75 Ų | 75 | 144.9 Ų | 144.9 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | trans | -90.7 | -140.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 127 | P | 41.4 | Very low | 38.2 | Very low | 130 Ų | 130 | 141.7 Ų | 141.7 | 84% | 0.844 | 79% | 0.786 | S | S | * | * | cis | -123.9 | 170.7 | 20.7 | 42.1 | -29.7 | 0 | 0 | 0 | 116.4 | ||||
| 128 | E | 35.4 | Very low | 38.9 | Very low | 179 Ų | 179 | 139.2 Ų | 139.2 | 84% | 0.836 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 159.9 | 167 | -76.3 | -175.1 | 123 | 0 | 0 | 113.2 | ||
| 129 | P | 37.4 | Very low | 39.4 | Very low | 124 Ų | 124 | 141.6 Ų | 141.6 | 81% | 0.805 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 146.2 | 165.3 | 32.7 | -34.9 | 0 | 0 | 0 | 111.7 | ||
| 130 | Q | 35.6 | Very low | 39.9 | Very low | 186 Ų | 186 | 140.2 Ų | 140.2 | 87% | 0.869 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -92.5 | 129.5 | 178.2 | -64.3 | -178.1 | -53.4 | 0 | 0 | 111.7 | D132 | Q130-D132 PolarHBondContact O-N 3.34Š|
| 131 | D | 40.7 | Very low | 40.6 | Very low | 156 Ų | 156 | 144.4 Ų | 144.4 | 83% | 0.834 | 78% | 0.781 | S | S | * | * | trans | -78.6 | 95.6 | 171.9 | -83.9 | -42.1 | 0 | 0 | 0 | 111.3 | I133 | D131-I133 VanDerWaalsContact C-N 3.27Å; D131-I133 HydrophobicContact CB-CG1 4.43Å; D131-I133 PolarHBondContact O-N 2.92Å | ||
| 132 | D | 41.3 | Very low | 40.9 | Very low | 135 Ų | 135 | 142.6 Ų | 142.6 | 72% | 0.722 | 78% | 0.779 | S | S | * | * | trans | -70 | 77.5 | 171.6 | -101.1 | -9.9 | 0 | 0 | 0 | 111.2 | Q130 K134 | Q130-D132 PolarHBondContact O-N 3.34Å; D132-K134 VanDerWaalsContact C-N 3.3Å; D132-K134 PolarHBondContact O-N 2.95Å | ||
| 133 | I | 46.8 | Very low | 40.9 | Very low | 147 Ų | 147 | 147 Ų | 147 | 75% | 0.754 | 79% | 0.786 | S | S | * | * | trans | -69.3 | 86.4 | 174.1 | -56.8 | 177.5 | 0 | 0 | 0 | 109.6 | D131 Q135 | D131-I133 VanDerWaalsContact C-N 3.27Å; D131-I133 HydrophobicContact CB-CG1 4.43Å; D131-I133 PolarHBondContact O-N 2.92Å; I133-Q135 PolarHBondContact O-N 3.37Å; I133-Q135 VanDerWaalsContact O-N 3.14Å | ||
| 134 | K | 55.9 | Low | 41.5 | Very low | 171 Ų | 171 | 147.1 Ų | 147.1 | 74% | 0.743 | 79% | 0.788 | S | S | * | * | trans | -67.2 | 109.9 | 172.9 | -67 | 178.6 | -174.4 | 177 | 0 | 109.3 | D132 I136 | D132-K134 VanDerWaalsContact C-N 3.3Å; D132-K134 PolarHBondContact O-N 2.95Å; K134-I136 PolarHBondContact O-N 2.89Å; K134-I136 VanDerWaalsContact O-N 3.13Å | ||
| 135 | Q | 46.5 | Very low | 41.9 | Very low | 184 Ų | 184 | 142.9 Ų | 142.9 | 86% | 0.86 | 78% | 0.78 | S | S | * | * | trans | -58.6 | 116.1 | 178 | -62.2 | 179.8 | 17.6 | 0 | 0 | 110 | I133 V137 | I133-Q135 PolarHBondContact O-N 3.37Å; I133-Q135 VanDerWaalsContact O-N 3.14Å; Q135-V137 PolarHBondContact O-N 3.35Å; Q135-V137 VanDerWaalsContact O-N 3.1Å | ||
| 136 | I | 50.3 | Low | 42.7 | Very low | 160 Ų | 160 | 144.7 Ų | 144.7 | 82% | 0.821 | 79% | 0.789 | S | S | * | * | trans | -74.7 | 102 | 174.3 | -59.6 | 175.9 | 0 | 0 | 0 | 107.3 | K134 P138 | K134-I136 PolarHBondContact O-N 2.89Å; K134-I136 VanDerWaalsContact O-N 3.13Å; I136-P138 WeakPolarHBondContact O-CD 3.27Å | ||
| 137 | V | 45.7 | Very low | 43.6 | Very low | 110 Ų | 110 | 147.8 Ų | 147.8 | 67% | 0.667 | 79% | 0.788 | S | S | * | * | trans | -59.8 | 123.2 | 170.3 | 178 | 0 | 0 | 0 | 0 | 108.2 | Q135 L139 | Q135-V137 PolarHBondContact O-N 3.35Å; Q135-V137 VanDerWaalsContact O-N 3.1Å; V137-L139 PolarHBondContact O-N 2.84Å; V137-L139 VanDerWaalsContact O-N 3.11Å | ||
| 138 | P | 47.4 | Very low | 44 | Very low | 105 Ų | 105 | 148.6 Ų | 148.6 | 68% | 0.682 | 79% | 0.785 | S | S | * | * | trans | -63.6 | 114.8 | 170.9 | -19.5 | 32.6 | 0 | 0 | 0 | 109 | I136 N140 | I136-P138 WeakPolarHBondContact O-CD 3.27Å; P138-N140 PolarHBondContact O-N 3.03Å | ||
| 139 | L | 43.2 | Very low | 44.8 | Very low | 128 Ų | 128 | 147.2 Ų | 147.2 | 67% | 0.67 | 78% | 0.779 | S | S | * | * | trans | -67.1 | 103.2 | 164.6 | -90 | 75.7 | 0 | 0 | 0 | 107.4 | V137 W141 | V137-L139 PolarHBondContact O-N 2.84Å; V137-L139 VanDerWaalsContact O-N 3.11Å; L139-W141 HydrophobicContact CD2-CZ2 4.41Å; L139-W141 PolarHBondContact O-N 3.3Å | ||
| 140 | N | 42 | Very low | 45.7 | Very low | 157 Ų | 157 | 148.6 Ų | 148.6 | 84% | 0.84 | 77% | 0.772 | S | S | * | * | trans | -62.7 | 92.3 | 160.2 | -81.4 | -22.3 | 0 | 0 | 0 | 107.9 | P138 G142 | P138-N140 PolarHBondContact O-N 3.03Å; N140-G142 PolarHBondContact O-N 2.87Å | ||
| 141 | W | 46.7 | Very low | 46.5 | Very low | 222 Ų | 222 | 147.9 Ų | 147.9 | 84% | 0.841 | 77% | 0.768 | S | S | * | * | trans | -61.5 | 125.2 | 161 | -70.2 | 89.6 | 0 | 0 | 0 | 107.4 | L139 K143 | L139-W141 HydrophobicContact CD2-CZ2 4.41Å; L139-W141 PolarHBondContact O-N 3.3Å; W141-K143 PolarHBondContact O-N 3.46Å | ||
| 142 | G | 36.4 | Very low | 47.1 | Very low | 68 Ų | 68 | 144.9 Ų | 144.9 | 70% | 0.701 | 75% | 0.75 | S | S | * | * | trans | -56 | 126.4 | -167.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | N140 D144 | N140-G142 PolarHBondContact O-N 2.87Å; G142-D144 VanDerWaalsContact C-N 3.32Å; G142-D144 PolarHBondContact O-N 3.09Å | ||
| 143 | K | 44.5 | Very low | 48.1 | Very low | 205 Ų | 205 | 142.2 Ų | 142.2 | 89% | 0.891 | 74% | 0.739 | S | S | * | * | trans | -94.6 | 70.7 | 167 | -174.4 | 175.5 | 170.3 | 167.9 | 0 | 108.7 | W141 | W141-K143 PolarHBondContact O-N 3.46Š| ||
| 144 | D | 44.1 | Very low | 48.3 | Very low | 159 Ų | 159 | 143.3 Ų | 143.3 | 85% | 0.85 | 74% | 0.741 | S | S | * | * | trans | -146.1 | 140.3 | 173 | -72 | -67.3 | 0 | 0 | 0 | 108 | G142 | G142-D144 VanDerWaalsContact C-N 3.32Å; G142-D144 PolarHBondContact O-N 3.09Å | ||
| 145 | G | 37.7 | Very low | 48.1 | Very low | 60 Ų | 60 | 138.5 Ų | 138.5 | 62% | 0.619 | 73% | 0.734 | S | S | * | * | trans | 101.5 | 82.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | D147 | G145-D147 PolarHBondContact O-N 3.3Š| ||
| 146 | D | 48.6 | Very low | 48.4 | Very low | 177 Ų | 177 | 132.2 Ų | 132.2 | 95% | 0.947 | 71% | 0.706 | S | S | * | * | trans | -74.1 | 68.4 | 150.8 | -81.7 | -42.8 | 0 | 0 | 0 | 108.7 | D148 | D146-D148 PolarHBondContact O-N 3.31Š| ||
| 147 | D | 48.1 | Very low | 48.9 | Very low | 141 Ų | 141 | 129.8 Ų | 129.8 | 75% | 0.754 | 69% | 0.691 | S | S | * | * | trans | -94.1 | 87.4 | 172.9 | -84.6 | -54.3 | 0 | 0 | 0 | 110.1 | G145 E149 | G145-D147 PolarHBondContact O-N 3.3Å; D147-E149 PolarHBondContact O-N 3.05Å | ||
| 148 | D | 49.8 | Very low | 49.2 | Very low | 146 Ų | 146 | 131.6 Ų | 131.6 | 78% | 0.781 | 69% | 0.692 | S | S | * | * | trans | -67.6 | 51.1 | 167.3 | -108.2 | -13.6 | 0 | 0 | 0 | 110.8 | D146 K150 | D146-D148 PolarHBondContact O-N 3.31Å; D148-K150 WeakPolarHBondContact O-CG 3.43Å; D148-K150 PolarHBondContact O-N 3.21Å | ||
| 149 | E | 52.3 | Low | 49.4 | Very low | 151 Ų | 151 | 132.8 Ų | 132.8 | 71% | 0.706 | 69% | 0.692 | S | S | * | * | trans | -68.1 | 92.4 | -175.8 | -165 | -177.4 | -129.8 | 0 | 0 | 110.1 | D147 H151 | D147-E149 PolarHBondContact O-N 3.05Å; E149-H151 PolarHBondContact O-N 3.4Å; E149-H151 PolarHBondContact O-ND1 2.8Å | ||
| 150 | K | 56.5 | Low | 50 | Low | 152 Ų | 152 | 131.8 Ų | 131.8 | 66% | 0.661 | 69% | 0.691 | S | S | * | * | trans | -59.2 | 104.9 | -177.6 | -57.1 | -176.9 | -165.9 | -49.6 | 0 | 108.8 | D148 M152 | D148-K150 WeakPolarHBondContact O-CG 3.43Å; D148-K150 PolarHBondContact O-N 3.21Å; K150-M152 HydrophobicContact CB-CG 4.48Å; K150-M152 WeakPolarHBondContact O-CG 3.28Å; K150-M152 PolarHBondContact O-N 2.84Å | ||
| 151 | H | 51.1 | Low | 50.2 | Low | 171 Ų | 171 | 131.9 Ų | 131.9 | 79% | 0.792 | 69% | 0.686 | S | S | * | * | trans | -64.6 | 80.2 | 172.6 | -64.8 | -29 | 0 | 0 | 0 | 110.9 | E149 T153 | E149-H151 PolarHBondContact O-N 3.4Å; E149-H151 PolarHBondContact O-ND1 2.8Å; H151-T153 PolarHBondContact O-N 3.03Å | ||
| 152 | M | 53.4 | Low | 50.2 | Low | 93 Ų | 93 | 130 Ų | 130 | 46% | 0.458 | 69% | 0.686 | S | S | . | * | trans | -69.3 | 98.2 | 174.3 | -63.4 | -65.5 | -89.7 | 0 | 0 | 108.1 | K150 D156 Q157 | K150-M152 HydrophobicContact CB-CG 4.48Å; K150-M152 WeakPolarHBondContact O-CG 3.28Å; K150-M152 PolarHBondContact O-N 2.84Å; M152-D156 HydrophobicContact CE-CB 3.8Å; M152-Q157 HydrophobicContact CB-CG 4.5Å; M152-Q157 PolarHBondContact O-NE2 3.4Å | ||
| 153 | T | 62.4 | Low | 50.5 | Low | 79 Ų | 79 | 135.3 Ų | 135.3 | 49% | 0.485 | 69% | 0.693 | S | S | . | * | trans | -47.5 | 143.1 | 170.3 | 40.6 | 0 | 0 | 0 | 0 | 110.2 | H151 A155 D156 | H151-T153 PolarHBondContact O-N 3.03Å; T153-A155 PolarHBondContact O-N 3.38Å; T153-D156 PolarHBondContact O-N 2.72Å | ||
| 154 | E | 52.8 | Low | 50.7 | Low | 170 Ų | 170 | 136.9 Ų | 136.9 | 79% | 0.794 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -47 | -33.1 | -172.6 | -62.3 | 167.6 | -177.8 | 0 | 0 | 113.7 | D156 Q157 | E154-D156 VanDerWaalsContact C-N 3.29Å; E154-D156 PolarHBondContact O-N 3.18Å; E154-Q157 PolarHBondContact O-N 2.98Å |
| 155 | A | 49.8 | Very low | 50.5 | Low | 71 Ų | 71 | 134.6 Ų | 134.6 | 59% | 0.587 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -61.9 | -20.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | T153 H158 | T153-A155 PolarHBondContact O-N 3.38Å; A155-H158 PolarHBondContact O-CE1 3.12Å; A155-H158 PolarHBondContact O-ND1 3.07Å |
| 156 | D | 54.3 | Low | 51 | Low | 52 Ų | 52 | 137.8 Ų | 137.8 | 28% | 0.278 | 70% | 0.697 | S | S | . | * | H | α-helix | trans | -91.2 | -23.1 | 174 | -84.5 | -53.4 | 0 | 0 | 0 | 112.3 | M152 T153 E154 H158 L159 R209 | M152-D156 HydrophobicContact CE-CB 3.8Å; T153-D156 PolarHBondContact O-N 2.72Å; E154-D156 VanDerWaalsContact C-N 3.29Å; E154-D156 PolarHBondContact O-N 3.18Å; D156-H158 PolarHBondContact O-N 3.02Å; D156-L159 PolarHBondContact O-N 3.14Å; D156-R209 IonicContact OD2-NH2 3.23Å |
| 157 | Q | 60.8 | Low | 51 | Low | 108 Ų | 108 | 133 Ų | 133 | 51% | 0.505 | 69% | 0.69 | S | S | . | * | H | α-helix | trans | -68.2 | -33.6 | -173 | -59.4 | 179.8 | 18.4 | 0 | 0 | 112.8 | M152 E154 L159 V160 | M152-Q157 HydrophobicContact CB-CG 4.5Å; M152-Q157 PolarHBondContact O-NE2 3.4Å; E154-Q157 PolarHBondContact O-N 2.98Å; Q157-L159 PolarHBondContact O-N 3.45Å; Q157-V160 PolarHBondContact O-N 3.19Å |
| 158 | H | 50.3 | Low | 50.6 | Low | 148 Ų | 148 | 133.2 Ų | 133.2 | 69% | 0.685 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -68.6 | -17 | -179.9 | 83.4 | -86.1 | 0 | 0 | 0 | 114.2 | A155 D156 | A155-H158 PolarHBondContact O-CE1 3.12Å; A155-H158 PolarHBondContact O-ND1 3.07Å; D156-H158 PolarHBondContact O-N 3.02Å |
| 159 | L | 53.3 | Low | 50.8 | Low | 130 Ų | 130 | 130.2 Ų | 130.2 | 68% | 0.681 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -85.3 | -21 | -178 | -167.4 | 62.6 | 0 | 0 | 0 | 112.8 | D156 Q157 | D156-L159 PolarHBondContact O-N 3.14Å; Q157-L159 PolarHBondContact O-N 3.45Å |
| 160 | V | 55.7 | Low | 50.4 | Low | 107 Ų | 107 | 126.9 Ų | 126.9 | 65% | 0.648 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -88.3 | -29.3 | -173.4 | -177 | 0 | 0 | 0 | 0 | 112.7 | Q157 Q162 | Q157-V160 PolarHBondContact O-N 3.19Å; V160-Q162 VanDerWaalsContact C-N 3.33Å; V160-Q162 PolarHBondContact O-N 3.4Å |
| 161 | H | 45.3 | Very low | 50.4 | Low | 159 Ų | 159 | 129.9 Ų | 129.9 | 74% | 0.736 | 71% | 0.711 | S | S | * | * | trans | -89 | 22.1 | -171.6 | -78.5 | 77.7 | 0 | 0 | 0 | 115.2 | E163 | H161-E163 PolarHBondContact O-N 2.97Š| ||
| 162 | Q | 46.2 | Very low | 50.5 | Low | 183 Ų | 183 | 128.6 Ų | 128.6 | 86% | 0.855 | 71% | 0.709 | S | S | * | * | trans | -82.9 | 66 | 173.1 | -166.3 | 167.2 | 105.9 | 0 | 0 | 111.4 | V160 | V160-Q162 VanDerWaalsContact C-N 3.33Å; V160-Q162 PolarHBondContact O-N 3.4Å | ||
| 163 | E | 43.9 | Very low | 50.5 | Low | 180 Ų | 180 | 134.4 Ų | 134.4 | 84% | 0.841 | 73% | 0.726 | S | S | * | * | trans | -64 | 143.5 | 171.7 | -69.1 | -153.6 | 141.7 | 0 | 0 | 111.7 | H161 | H161-E163 PolarHBondContact O-N 2.97Š| ||
| 164 | R | 47.9 | Very low | 50.1 | Low | 237 Ų | 237 | 137 Ų | 137 | 89% | 0.894 | 74% | 0.736 | S | S | * | * | trans | -94.5 | 115.9 | -172.3 | -175.2 | -177.6 | -171.1 | 166.7 | 4.1 | 110.5 | ||||
| 165 | P | 41.5 | Very low | 50.4 | Low | 111 Ų | 111 | 135.8 Ų | 135.8 | 72% | 0.721 | 73% | 0.73 | S | S | * | * | trans | -66.5 | 140.8 | 179.7 | 26.9 | -34.3 | 0 | 0 | 0 | 111.6 | ||||
| 166 | P | 46.3 | Very low | 50.2 | Low | 127 Ų | 127 | 144.1 Ų | 144.1 | 83% | 0.825 | 75% | 0.747 | S | S | * | * | trans | -79.2 | 123.3 | -178.8 | 30.4 | -33.8 | 0 | 0 | 0 | 112.5 | ||||
| 167 | G | 49.6 | Very low | 50.3 | Low | 77 Ų | 77 | 146.4 Ų | 146.4 | 79% | 0.794 | 77% | 0.767 | S | S | * | * | trans | 66 | 70.6 | 145.3 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 168 | V | 40.6 | Very low | 50.4 | Low | 145 Ų | 145 | 146.4 Ų | 146.4 | 88% | 0.879 | 78% | 0.776 | S | S | * | * | trans | -127.9 | 128.9 | 149.7 | -170 | 0 | 0 | 0 | 0 | 109.6 | A170 | V168-A170 PolarHBondContact O-N 3.06Š| ||
| 169 | G | 52.3 | Low | 50.8 | Low | 84 Ų | 84 | 145.4 Ų | 145.4 | 87% | 0.866 | 78% | 0.783 | S | S | * | * | trans | -84.1 | 85.7 | -170.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 170 | A | 44.9 | Very low | 50.8 | Low | 81 Ų | 81 | 150.7 Ų | 150.7 | 67% | 0.669 | 79% | 0.794 | S | S | * | * | trans | -107.6 | 107.1 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | V168 L172 | V168-A170 PolarHBondContact O-N 3.06Å; A170-L172 PolarHBondContact O-N 3.22Å | ||
| 171 | K | 56.2 | Low | 50.2 | Low | 215 Ų | 215 | 153.9 Ų | 153.9 | 94% | 0.935 | 80% | 0.801 | S | S | * | * | trans | -80.7 | 56.2 | 176.4 | -71.3 | -173.6 | 179.2 | 176.6 | 0 | 112.6 | R173 | K171-R173 PolarHBondContact O-N 3.09Š| ||
| 172 | L | 52.6 | Low | 50.3 | Low | 144 Ų | 144 | 156.4 Ų | 156.4 | 75% | 0.754 | 80% | 0.804 | S | S | * | * | trans | -83.9 | 107.3 | 166.3 | -71.8 | 173.5 | 0 | 0 | 0 | 109.2 | A170 L174 | A170-L172 PolarHBondContact O-N 3.22Å; L172-L174 HydrophobicContact CB-CD1 4.1Å; L172-L174 PolarHBondContact O-N 3.49Å; L172-L174 VanDerWaalsContact O-N 3.09Å | ||
| 173 | R | 54.2 | Low | 50.3 | Low | 214 Ų | 214 | 153.8 Ų | 153.8 | 81% | 0.808 | 79% | 0.792 | S | S | * | * | trans | -71 | 96.5 | 168.6 | -82.9 | 176.2 | 126.8 | 116.2 | 1.3 | 109 | K171 E175 | K171-R173 PolarHBondContact O-N 3.09Å; R173-E175 HydrophobicContact CB-CG 3.88Å; R173-E175 VanDerWaalsContact CD-OE1 3.27Å; R173-E175 WeakPolarHBondContact CD-OE1 3.45Å; R173-E175 IonicContact NE-OE1 3.47Å; R173-E175 PolarHBondContact NE-OE1 3.31Å; R173-E175 PolarHBondContact O-N 3.35Å; R173-E175 VanDerWaalsContact O-N 3.14Å | ||
| 174 | L | 53.7 | Low | 49.9 | Very low | 133 Ų | 133 | 153.4 Ų | 153.4 | 70% | 0.696 | 79% | 0.79 | S | S | * | * | trans | -75.7 | 94.3 | 162.9 | -84.7 | 72.9 | 0 | 0 | 0 | 107.9 | L172 W176 | L172-L174 HydrophobicContact CB-CD1 4.1Å; L172-L174 PolarHBondContact O-N 3.49Å; L172-L174 VanDerWaalsContact O-N 3.09Å; L174-W176 PolarHBondContact O-N 2.84Å | ||
| 175 | E | 58.2 | Low | 49.9 | Very low | 146 Ų | 146 | 151.3 Ų | 151.3 | 68% | 0.682 | 79% | 0.79 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | 52.7 | -177.5 | -53.6 | -149.8 | 151 | 0 | 0 | 112.3 | R173 | R173-E175 HydrophobicContact CB-CG 3.88Å; R173-E175 VanDerWaalsContact CD-OE1 3.27Å; R173-E175 WeakPolarHBondContact CD-OE1 3.45Å; R173-E175 IonicContact NE-OE1 3.47Å; R173-E175 PolarHBondContact NE-OE1 3.31Å; R173-E175 PolarHBondContact O-N 3.35Å; R173-E175 VanDerWaalsContact O-N 3.14Å |
| 176 | W | 47.5 | Very low | 49.7 | Very low | 245 Ų | 245 | 148.9 Ų | 148.9 | 93% | 0.928 | 79% | 0.785 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.8 | 2.3 | 170.5 | -72.3 | 94 | 0 | 0 | 0 | 112.6 | L174 | L174-W176 PolarHBondContact O-N 2.84Š|
| 177 | S | 56.4 | Low | 49.6 | Very low | 100 Ų | 100 | 148.1 Ų | 148.1 | 70% | 0.699 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -75.6 | 125.5 | 166.4 | -63.6 | 0 | 0 | 0 | 0 | 109.4 | ||
| 178 | P | 62.7 | Low | 49.4 | Very low | 108 Ų | 108 | 148.3 Ų | 148.3 | 70% | 0.701 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 137.4 | 174.7 | -27 | 35.5 | 0 | 0 | 0 | 111.6 | R180 | P178-R180 PolarHBondContact O-N 3.25Š|
| 179 | P | 57 | Low | 49.4 | Very low | 127 Ų | 127 | 145.7 Ų | 145.7 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -63 | 123.5 | -175.3 | 24.9 | -33.8 | 0 | 0 | 0 | 110.4 | H181 | P179-H181 PolarHBondContact O-N 3.47Å; P179-H181 VanDerWaalsContact O-N 3.13Å |
| 180 | R | 53.6 | Low | 49 | Very low | 241 Ų | 241 | 147.3 Ų | 147.3 | 91% | 0.909 | 78% | 0.783 | S | S | * | * | trans | -72.5 | 109.5 | 178.9 | -65.4 | -148.9 | -69.9 | -154.4 | 0.2 | 109.9 | P178 R182 | P178-R180 PolarHBondContact O-N 3.25Å; R180-R182 PolarHBondContact O-N 2.82Å | ||
| 181 | H | 44 | Very low | 49 | Very low | 175 Ų | 175 | 147.1 Ų | 147.1 | 81% | 0.81 | 78% | 0.782 | S | S | * | * | trans | -63 | 96.3 | -179.1 | -175 | -75.8 | 0 | 0 | 0 | 111.8 | P179 | P179-H181 PolarHBondContact O-N 3.47Å; P179-H181 VanDerWaalsContact O-N 3.13Å | ||
| 182 | R | 46.5 | Very low | 48.8 | Very low | 212 Ų | 212 | 142.8 Ų | 142.8 | 80% | 0.8 | 77% | 0.774 | S | S | * | * | trans | -103.4 | 133.8 | 164.4 | -95.2 | -167.8 | 164.4 | -135.3 | 7.2 | 107.3 | R180 | R180-R182 PolarHBondContact O-N 2.82Š| ||
| 183 | E | 46.2 | Very low | 49 | Very low | 128 Ų | 128 | 141.2 Ų | 141.2 | 60% | 0.598 | 78% | 0.775 | S | S | * | * | cis | -147.7 | 161.1 | -4.7 | -83.3 | 155.2 | -139.9 | 0 | 0 | 107.9 | ||||
| 184 | H | 36.4 | Very low | 49.7 | Very low | 171 Ų | 171 | 135.3 Ų | 135.3 | 79% | 0.792 | 77% | 0.772 | S | S | * | * | trans | -154.8 | 101.9 | 150.7 | -161.4 | -64.4 | 0 | 0 | 0 | 110 | G186 | H184-G186 PolarHBondContact O-N 2.86Š| ||
| 185 | E | 47.3 | Very low | 50.3 | Low | 194 Ų | 194 | 131.6 Ų | 131.6 | 91% | 0.907 | 76% | 0.76 | S | S | * | * | trans | -72.2 | 118.8 | 162.6 | -69.7 | -155.6 | 149.6 | 0 | 0 | 108.6 | ||||
| 186 | G | 37 | Very low | 51.3 | Low | 59 Ų | 59 | 128.8 Ų | 128.8 | 61% | 0.608 | 75% | 0.754 | S | S | * | * | trans | -172.3 | 115.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | H184 | H184-G186 PolarHBondContact O-N 2.86Š| ||
| 187 | A | 45.2 | Very low | 52.3 | Low | 112 Ų | 112 | 124.3 Ų | 124.3 | 93% | 0.926 | 74% | 0.741 | S | S | * | * | trans | -71.6 | 152.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 188 | G | 45 | Very low | 53 | Low | 81 Ų | 81 | 123 Ų | 123 | 84% | 0.835 | 74% | 0.737 | S | S | * | * | trans | 103.9 | 43.8 | 156.5 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 189 | A | 41.1 | Very low | 53.5 | Low | 89 Ų | 89 | 125.3 Ų | 125.3 | 74% | 0.736 | 73% | 0.733 | S | S | * | * | trans | -157.9 | 115.7 | 144.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | A191 | A189-A191 HydrophobicContact CB-CB 4.5Å; A189-A191 PolarHBondContact O-N 3.39Å | ||
| 190 | S | 43.3 | Very low | 54.4 | Low | 118 Ų | 118 | 124.9 Ų | 124.9 | 83% | 0.825 | 72% | 0.72 | S | S | * | * | trans | -77.3 | 71.2 | 155.5 | -168.4 | 0 | 0 | 0 | 0 | 108 | T192 | S190-T192 VanDerWaalsContact C-N 3.27Å; S190-T192 PolarHBondContact O-N 3.38Å | ||
| 191 | A | 45.6 | Very low | 55.8 | Low | 78 Ų | 78 | 119.2 Ų | 119.2 | 65% | 0.645 | 70% | 0.702 | S | S | * | * | trans | -67.5 | 94.8 | 166.4 | 0 | 0 | 0 | 0 | 0 | 106.7 | A189 S193 | A189-A191 HydrophobicContact CB-CB 4.5Å; A189-A191 PolarHBondContact O-N 3.39Å; A191-S193 PolarHBondContact O-N 3.37Å | ||
| 192 | T | 51.4 | Low | 57.9 | Low | 124 Ų | 124 | 116.1 Ų | 116.1 | 76% | 0.761 | 69% | 0.686 | S | S | * | * | trans | -61.8 | 90.1 | 167.3 | 38.5 | 0 | 0 | 0 | 0 | 107.6 | S190 A194 | S190-T192 VanDerWaalsContact C-N 3.27Å; S190-T192 PolarHBondContact O-N 3.38Å; T192-A194 PolarHBondContact O-N 2.91Å | ||
| 193 | S | 57.7 | Low | 59.9 | Low | 111 Ų | 111 | 111.1 Ų | 111.1 | 78% | 0.776 | 68% | 0.675 | S | S | * | * | trans | -63.2 | 88.8 | 176.9 | 42.1 | 0 | 0 | 0 | 0 | 108.1 | A191 A195 | A191-S193 PolarHBondContact O-N 3.37Å; S193-A195 PolarHBondContact O-N 2.72Å | ||
| 194 | A | 68.7 | Low | 62.1 | Low | 90 Ų | 90 | 108.3 Ų | 108.3 | 74% | 0.744 | 67% | 0.666 | S | S | * | * | trans | -51.6 | 110.6 | -169.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | T192 | T192-A194 PolarHBondContact O-N 2.91Š| ||
| 195 | A | 66.3 | Low | 64.8 | Low | 54 Ų | 54 | 108.1 Ų | 108.1 | 45% | 0.446 | 66% | 0.66 | S | S | . | * | trans | -52.8 | 130.4 | -166.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | S193 K197 | S193-A195 PolarHBondContact O-N 2.72Å; A195-K197 PolarHBondContact O-N 2.93Å | ||
| 196 | P | 78.7 | Confident | 67 | Low | 88 Ų | 88 | 102.8 Ų | 102.8 | 57% | 0.571 | 64% | 0.635 | S | S | * | * | trans | -48.4 | 136.6 | -172.7 | -30.1 | 34 | 0 | 0 | 0 | 111 | A198 Y199 | P196-A198 CarbonylContact O-C 3.58Å; P196-A198 PolarHBondContact O-N 2.8Å; P196-Y199 HydrophobicContact CB-CD2 4.22Å; P196-Y199 HydrophobicContact CG-CD2 4.35Å; P196-Y199 HydrophobicContact CG-CE2 4.44Å; P196-Y199 PolarHBondContact O-N 3.39Å | ||
| 197 | K | 67.9 | Low | 69.7 | Low | 150 Ų | 150 | 102.4 Ų | 102.4 | 65% | 0.652 | 62% | 0.623 | S | S | * | * | G | 310 helix | trans | -50.7 | -26.1 | -165.2 | -164.5 | 172.2 | -176.7 | 176.1 | 0 | 114.7 | A195 Y199 Q200 F201 | A195-K197 PolarHBondContact O-N 2.93Å; K197-Y199 VanDerWaalsContact C-N 3.29Å; K197-Y199 PolarHBondContact O-N 3.02Å; K197-Q200 WeakPolarHBondContact O-CB 3.48Å; K197-Q200 PolarHBondContact O-N 2.88Å; K197-Q200 VanDerWaalsContact O-N 3.09Å; K197-F201 HydrophobicContact CG-CE2 4.19Å; K197-F201 VanDerWaalsContact O-CD2 3.28Å; K197-F201 WeakPolarHBondContact O-CD2 3.35Å |
| 198 | A | 71.9 | Confident | 72.1 | Confident | 74 Ų | 74 | 103.6 Ų | 103.6 | 61% | 0.612 | 61% | 0.607 | S | S | * | * | G | 310 helix | trans | -48.8 | -42.7 | 167.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | P196 Q200 F201 | P196-A198 CarbonylContact O-C 3.58Å; P196-A198 PolarHBondContact O-N 2.8Å; A198-Q200 VanDerWaalsContact C-N 3.29Å; A198-Q200 PolarHBondContact O-N 3.19Å; A198-F201 WeakPolarHBondContact O-CB 3.43Å; A198-F201 PolarHBondContact O-N 3.31Å; A198-F201 VanDerWaalsContact O-N 3.08Å |
| 199 | Y | 72.4 | Confident | 74.6 | Confident | 156 Ų | 156 | 106.4 Ų | 106.4 | 61% | 0.612 | 59% | 0.593 | S | S | * | * | G | 310 helix | trans | -67.2 | -25.8 | 178.5 | -72.7 | -83.5 | 0 | 0 | 0 | 113.1 | P196 K197 F201 K202 | P196-Y199 HydrophobicContact CB-CD2 4.22Å; P196-Y199 HydrophobicContact CG-CD2 4.35Å; P196-Y199 HydrophobicContact CG-CE2 4.44Å; P196-Y199 PolarHBondContact O-N 3.39Å; K197-Y199 VanDerWaalsContact C-N 3.29Å; K197-Y199 PolarHBondContact O-N 3.02Å; Y199-F201 PolarHBondContact O-N 3.27Å; Y199-K202 WeakPolarHBondContact O-CB 3.41Å; Y199-K202 PolarHBondContact O-N 2.8Å; Y199-K202 VanDerWaalsContact O-N 3.15Å |
| 200 | Q | 76.8 | Confident | 77.2 | Confident | 117 Ų | 117 | 107.2 Ų | 107.2 | 55% | 0.547 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -68.4 | -21.3 | 172.8 | -58.3 | 179.3 | -11.3 | 0 | 0 | 112.3 | K197 A198 | K197-Q200 WeakPolarHBondContact O-CB 3.48Å; K197-Q200 PolarHBondContact O-N 2.88Å; K197-Q200 VanDerWaalsContact O-N 3.09Å; A198-Q200 VanDerWaalsContact C-N 3.29Å; A198-Q200 PolarHBondContact O-N 3.19Å |
| 201 | F | 82.2 | Confident | 79.6 | Confident | 123 Ų | 123 | 106.3 Ų | 106.3 | 54% | 0.539 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -85.6 | -9.1 | 174.1 | -65.7 | -76.6 | 0 | 0 | 0 | 113.5 | K197 A198 Y199 V204 Y205 | K197-F201 HydrophobicContact CG-CE2 4.19Å; K197-F201 VanDerWaalsContact O-CD2 3.28Å; K197-F201 WeakPolarHBondContact O-CD2 3.35Å; A198-F201 WeakPolarHBondContact O-CB 3.43Å; A198-F201 PolarHBondContact O-N 3.31Å; A198-F201 VanDerWaalsContact O-N 3.08Å; Y199-F201 PolarHBondContact O-N 3.27Å; F201-V204 PolarHBondContact O-N 3.43Å; F201-Y205 PolarHBondContact O-N 3Å |
| 202 | K | 88.9 | Confident | 81.9 | Confident | 109 Ų | 109 | 105.5 Ų | 105.5 | 47% | 0.474 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -57.1 | -53.6 | 174.5 | -176.7 | -169 | 165.2 | -169.5 | 0 | 110.1 | Y199 V204 Y205 E206 | Y199-K202 WeakPolarHBondContact O-CB 3.41Å; Y199-K202 PolarHBondContact O-N 2.8Å; Y199-K202 VanDerWaalsContact O-N 3.15Å; K202-V204 VanDerWaalsContact C-N 3.25Å; K202-V204 PolarHBondContact O-N 3.29Å; K202-Y205 WeakPolarHBondContact O-CB 3.29Å; K202-Y205 PolarHBondContact O-N 2.81Å; K202-E206 VanDerWaalsContact CE-CD 3.41Å; K202-E206 WeakPolarHBondContact CE-OE1 3.47Å; K202-E206 HydrophobicContact CG-CG 4.48Å; K202-E206 IonicContact NZ-OE1 3.63Å; K202-E206 PolarHBondContact O-N 2.87Å |
| 203 | D | 88.7 | Confident | 83.9 | Confident | 108 Ų | 108 | 104.9 Ų | 104.9 | 58% | 0.578 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -63.1 | -33.9 | -177.5 | -51.5 | -8.2 | 0 | 0 | 0 | 111.5 | S207 | D203-S207 WeakPolarHBondContact O-CB 3.23Å; D203-S207 PolarHBondContact O-N 3.31Å |
| 204 | V | 92.1 | Very high | 85.7 | Confident | 68 Ų | 68 | 106.8 Ų | 106.8 | 41% | 0.412 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -66.3 | -40.4 | 174.2 | -178.2 | 0 | 0 | 0 | 0 | 111.3 | F201 K202 K208 | F201-V204 PolarHBondContact O-N 3.43Å; K202-V204 VanDerWaalsContact C-N 3.25Å; K202-V204 PolarHBondContact O-N 3.29Å; V204-K208 HydrophobicContact CG1-CD 4.45Å; V204-K208 WeakPolarHBondContact O-CB 3.46Å; V204-K208 VanDerWaalsContact O-CG 3.29Å; V204-K208 WeakPolarHBondContact O-CG 2.8Å; V204-K208 PolarHBondContact O-N 3.17Å; V204-K208 VanDerWaalsContact O-N 3.1Å |
| 205 | Y | 92.6 | Very high | 87 | Confident | 167 Ų | 167 | 108.4 Ų | 108.4 | 66% | 0.655 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -71.6 | -43.6 | 176.6 | -173.6 | -100.6 | 0 | 0 | 0 | 111.9 | F201 K202 K208 R209 | F201-Y205 PolarHBondContact O-N 3Å; K202-Y205 WeakPolarHBondContact O-CB 3.29Å; K202-Y205 PolarHBondContact O-N 2.81Å; Y205-K208 PolarHBondContact O-N 3.24Å; Y205-R209 WeakPolarHBondContact O-CB 3.33Å; Y205-R209 PolarHBondContact O-N 3.01Å |
| 206 | E | 93.4 | Very high | 88.2 | Confident | 83 Ų | 83 | 114.1 Ų | 114.1 | 39% | 0.388 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.6 | -41.9 | 177 | -71.3 | -177 | 174.6 | 0 | 0 | 111.7 | K202 K208 R209 Q210 | K202-E206 VanDerWaalsContact CE-CD 3.41Å; K202-E206 WeakPolarHBondContact CE-OE1 3.47Å; K202-E206 HydrophobicContact CG-CG 4.48Å; K202-E206 IonicContact NZ-OE1 3.63Å; K202-E206 PolarHBondContact O-N 2.87Å; E206-K208 PolarHBondContact O-N 3.29Å; E206-R209 PolarHBondContact O-N 3.26Å; E206-Q210 WeakPolarHBondContact O-CB 3.29Å; E206-Q210 VanDerWaalsContact O-CG 3.29Å; E206-Q210 WeakPolarHBondContact O-CG 3.31Å; E206-Q210 PolarHBondContact O-N 2.98Å |
| 207 | S | 94.4 | Very high | 88.8 | Confident | 51 Ų | 51 | 112.8 Ų | 112.8 | 36% | 0.357 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -60.9 | -44.3 | 172.9 | -170.8 | 0 | 0 | 0 | 0 | 111.8 | D203 Q210 Q211 | D203-S207 WeakPolarHBondContact O-CB 3.23Å; D203-S207 PolarHBondContact O-N 3.31Å; S207-Q210 PolarHBondContact O-N 2.9Å; S207-Q211 WeakPolarHBondContact O-CB 3.41Å; S207-Q211 VanDerWaalsContact O-CG 3.28Å; S207-Q211 WeakPolarHBondContact O-CG 3.38Å; S207-Q211 PolarHBondContact O-N 3.28Å; S207-Q211 PolarHBondContact OG-NE2 3.16Å |
| 208 | K | 95.8 | Very high | 90.1 | Very high | 136 Ų | 136 | 111.2 Ų | 111.2 | 59% | 0.591 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.3 | -40.6 | 175.3 | -76.4 | 177.7 | 178 | -174.6 | 0 | 112.6 | V204 Y205 E206 Q211 A212 | V204-K208 HydrophobicContact CG1-CD 4.45Å; V204-K208 WeakPolarHBondContact O-CB 3.46Å; V204-K208 VanDerWaalsContact O-CG 3.29Å; V204-K208 WeakPolarHBondContact O-CG 2.8Å; V204-K208 PolarHBondContact O-N 3.17Å; V204-K208 VanDerWaalsContact O-N 3.1Å; Y205-K208 PolarHBondContact O-N 3.24Å; E206-K208 PolarHBondContact O-N 3.29Å; K208-Q211 PolarHBondContact O-N 2.87Å; K208-A212 WeakPolarHBondContact O-CB 3.43Å; K208-A212 PolarHBondContact O-N 3.43Å |
| 209 | R | 96.1 | Very high | 91.1 | Very high | 140 Ų | 140 | 113.6 Ų | 113.6 | 53% | 0.528 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -59.9 | -47.4 | 173.7 | -175.5 | -179.1 | 178.4 | -170.5 | 0 | 110.5 | D156 Y205 E206 A212 M213 | D156-R209 IonicContact OD2-NH2 3.23Å; Y205-R209 WeakPolarHBondContact O-CB 3.33Å; Y205-R209 PolarHBondContact O-N 3.01Å; E206-R209 PolarHBondContact O-N 3.26Å; R209-A212 PolarHBondContact O-N 2.97Å; R209-M213 WeakPolarHBondContact O-CG 3.24Å; R209-M213 PolarHBondContact O-N 3.28Å |
| 210 | Q | 95.9 | Very high | 92.1 | Very high | 106 Ų | 106 | 110.5 Ų | 110.5 | 50% | 0.495 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.8 | -42.6 | 177.6 | -70.6 | 173.9 | 20 | 0 | 0 | 112.4 | E206 S207 M213 R214 | E206-Q210 WeakPolarHBondContact O-CB 3.29Å; E206-Q210 VanDerWaalsContact O-CG 3.29Å; E206-Q210 WeakPolarHBondContact O-CG 3.31Å; E206-Q210 PolarHBondContact O-N 2.98Å; S207-Q210 PolarHBondContact O-N 2.9Å; Q210-M213 PolarHBondContact O-N 3.17Å; Q210-R214 WeakPolarHBondContact O-CG 3.47Å; Q210-R214 PolarHBondContact O-N 2.83Å |
| 211 | Q | 94.4 | Very high | 92.7 | Very high | 100 Ų | 100 | 108.6 Ų | 108.6 | 47% | 0.467 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.3 | -40.5 | 176 | -73.3 | 175.6 | 31.8 | 0 | 0 | 112.1 | S207 K208 R214 K215 | S207-Q211 WeakPolarHBondContact O-CB 3.41Å; S207-Q211 VanDerWaalsContact O-CG 3.28Å; S207-Q211 WeakPolarHBondContact O-CG 3.38Å; S207-Q211 PolarHBondContact O-N 3.28Å; S207-Q211 PolarHBondContact OG-NE2 3.16Å; K208-Q211 PolarHBondContact O-N 2.87Å; Q211-R214 PolarHBondContact O-N 3.46Å; Q211-K215 WeakPolarHBondContact O-CG 3.2Å; Q211-K215 PolarHBondContact O-N 2.82Å |
| 212 | A | 94.6 | Very high | 93.3 | Very high | 60 Ų | 60 | 109.2 Ų | 109.2 | 50% | 0.496 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.2 | -41.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | K208 R209 R216 | K208-A212 WeakPolarHBondContact O-CB 3.43Å; K208-A212 PolarHBondContact O-N 3.43Å; R209-A212 PolarHBondContact O-N 2.97Å; A212-R216 PolarHBondContact O-N 2.8Å |
| 213 | M | 93.5 | Very high | 93.3 | Very high | 112 Ų | 112 | 108.1 Ų | 108.1 | 55% | 0.552 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63.6 | -44.2 | 174.7 | -68.6 | -61.6 | -67.3 | 0 | 0 | 112.1 | R209 Q210 R216 S217 | R209-M213 WeakPolarHBondContact O-CG 3.24Å; R209-M213 PolarHBondContact O-N 3.28Å; Q210-M213 PolarHBondContact O-N 3.17Å; M213-R216 PolarHBondContact O-N 3.34Å; M213-S217 PolarHBondContact O-N 3.35Å; M213-S217 VanDerWaalsContact O-N 3.07Å; M213-S217 PolarHBondContact O-OG 3.05Å |
| 214 | R | 95.1 | Very high | 93.4 | Very high | 150 Ų | 150 | 112.2 Ų | 112.2 | 57% | 0.566 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -60.2 | -50.6 | 176.1 | -75 | -179.3 | -173.3 | 162.2 | 5.4 | 111.8 | Q210 Q211 R216 S217 E218 | Q210-R214 WeakPolarHBondContact O-CG 3.47Å; Q210-R214 PolarHBondContact O-N 2.83Å; Q211-R214 PolarHBondContact O-N 3.46Å; R214-R216 VanDerWaalsContact C-N 3.3Å; R214-R216 PolarHBondContact O-N 2.95Å; R214-S217 WeakPolarHBondContact CA-OG 3.44Å; R214-S217 CarbonylContact O-C 3.6Å; R214-S217 PolarHBondContact O-N 2.92Å; R214-S217 PolarHBondContact O-OG 3.2Å; R214-E218 WeakPolarHBondContact O-CG 3.27Å; R214-E218 PolarHBondContact O-N 2.88Å |
| 215 | K | 95.9 | Very high | 93.5 | Very high | 124 Ų | 124 | 114.6 Ų | 114.6 | 54% | 0.539 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -53.4 | -45.7 | 174.8 | -77.7 | -173.2 | 175.3 | -169.6 | 0 | 112.3 | Q211 S217 E218 E219 | Q211-K215 WeakPolarHBondContact O-CG 3.2Å; Q211-K215 PolarHBondContact O-N 2.82Å; K215-S217 VanDerWaalsContact C-N 3.34Å; K215-S217 PolarHBondContact O-N 3.43Å; K215-E218 PolarHBondContact O-N 2.88Å; K215-E219 VanDerWaalsContact O-CB 3.29Å; K215-E219 WeakPolarHBondContact O-CB 3.3Å; K215-E219 VanDerWaalsContact O-CG 3.24Å; K215-E219 WeakPolarHBondContact O-CG 3.49Å; K215-E219 PolarHBondContact O-N 3.44Å |
| 216 | R | 91.4 | Very high | 93.4 | Very high | 175 Ų | 175 | 115.3 Ų | 115.3 | 66% | 0.66 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -59.3 | -43.1 | 176.7 | -171.3 | 179.4 | 179.1 | -172.4 | -0.4 | 112.2 | A212 M213 R214 E220 | A212-R216 PolarHBondContact O-N 2.8Å; M213-R216 PolarHBondContact O-N 3.34Å; R214-R216 VanDerWaalsContact C-N 3.3Å; R214-R216 PolarHBondContact O-N 2.95Å; R216-E220 VanDerWaalsContact O-CB 3.27Å; R216-E220 WeakPolarHBondContact O-CB 3.5Å; R216-E220 PolarHBondContact O-N 3.08Å |
| 217 | S | 90.1 | Very high | 93 | Very high | 59 Ų | 59 | 116.6 Ų | 116.6 | 41% | 0.413 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -70.4 | -32.6 | 176.3 | 58.2 | 0 | 0 | 0 | 0 | 113.9 | M213 R214 K215 S221 | M213-S217 PolarHBondContact O-N 3.35Å; M213-S217 VanDerWaalsContact O-N 3.07Å; M213-S217 PolarHBondContact O-OG 3.05Å; R214-S217 WeakPolarHBondContact CA-OG 3.44Å; R214-S217 CarbonylContact O-C 3.6Å; R214-S217 PolarHBondContact O-N 2.92Å; R214-S217 PolarHBondContact O-OG 3.2Å; K215-S217 VanDerWaalsContact C-N 3.34Å; K215-S217 PolarHBondContact O-N 3.43Å; S217-S221 VanDerWaalsContact O-CB 3.27Å; S217-S221 WeakPolarHBondContact O-CB 3.48Å; S217-S221 PolarHBondContact O-N 3.47Å; S217-S221 PolarHBondContact O-OG 2.82Å |
| 218 | E | 94.9 | Very high | 92.7 | Very high | 117 Ų | 117 | 118.7 Ų | 118.7 | 55% | 0.547 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -69.9 | -44.5 | 174.5 | -70.8 | 163.1 | -148.2 | 0 | 0 | 111 | R214 K215 S221 K222 | R214-E218 WeakPolarHBondContact O-CG 3.27Å; R214-E218 PolarHBondContact O-N 2.88Å; K215-E218 PolarHBondContact O-N 2.88Å; E218-S221 PolarHBondContact O-N 2.91Å; E218-K222 WeakPolarHBondContact O-CB 3.42Å; E218-K222 PolarHBondContact O-N 3.07Å |
| 219 | E | 93.5 | Very high | 92.2 | Very high | 124 Ų | 124 | 123.5 Ų | 123.5 | 58% | 0.579 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -63.4 | -42.5 | 175 | -73.8 | 165.4 | -160.6 | 0 | 0 | 111.5 | K215 K222 A223 | K215-E219 VanDerWaalsContact O-CB 3.29Å; K215-E219 WeakPolarHBondContact O-CB 3.3Å; K215-E219 VanDerWaalsContact O-CG 3.24Å; K215-E219 WeakPolarHBondContact O-CG 3.49Å; K215-E219 PolarHBondContact O-N 3.44Å; E219-K222 PolarHBondContact O-N 3.03Å; E219-A223 VanDerWaalsContact O-CB 3.3Å; E219-A223 WeakPolarHBondContact O-CB 3.27Å; E219-A223 PolarHBondContact O-N 3.01Å |
| 220 | E | 93.3 | Very high | 91.9 | Very high | 91 Ų | 91 | 122.2 Ų | 122.2 | 43% | 0.425 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -64.3 | -45.6 | 173.5 | 174.3 | 161 | -152.8 | 0 | 0 | 111.8 | R216 K222 A223 R224 | R216-E220 VanDerWaalsContact O-CB 3.27Å; R216-E220 WeakPolarHBondContact O-CB 3.5Å; R216-E220 PolarHBondContact O-N 3.08Å; E220-K222 VanDerWaalsContact C-N 3.28Å; E220-K222 PolarHBondContact O-N 3.41Å; E220-A223 PolarHBondContact O-N 2.99Å; E220-R224 HydrophobicContact CG-CG 4.43Å; E220-R224 VanDerWaalsContact CG-NE 3.35Å; E220-R224 WeakPolarHBondContact O-CB 3.3Å; E220-R224 VanDerWaalsContact O-CG 3.24Å; E220-R224 WeakPolarHBondContact O-CG 3.42Å; E220-R224 PolarHBondContact O-N 3.14Å; E220-R224 IonicContact OE1-CZ 2.89Å; E220-R224 VanDerWaalsContact OE1-CZ 3.26Å; E220-R224 IonicContact OE1-NE 3.81Å; E220-R224 PolarHBondContact OE1-NE 3.08Å; E220-R224 VanDerWaalsContact OE1-NE 3.08Å; E220-R224 IonicContact OE1-NH2 3.41Å; E220-R224 PolarHBondContact OE1-NH2 2.67Å |
| 221 | S | 90.8 | Very high | 91.7 | Very high | 77 Ų | 77 | 124.5 Ų | 124.5 | 54% | 0.538 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -60.3 | -40.1 | 175.8 | -61.7 | 0 | 0 | 0 | 0 | 111.6 | S217 E218 R224 Q225 | S217-S221 VanDerWaalsContact O-CB 3.27Å; S217-S221 WeakPolarHBondContact O-CB 3.48Å; S217-S221 PolarHBondContact O-N 3.47Å; S217-S221 PolarHBondContact O-OG 2.82Å; E218-S221 PolarHBondContact O-N 2.91Å; S221-R224 PolarHBondContact O-N 3.28Å; S221-Q225 WeakPolarHBondContact O-CB 3.44Å; S221-Q225 PolarHBondContact O-N 2.87Å |
| 222 | K | 94.3 | Very high | 91.7 | Very high | 137 Ų | 137 | 123.1 Ų | 123.1 | 60% | 0.596 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -72.4 | -32.3 | 177.4 | -172.3 | 177.5 | -177.8 | 179.3 | 0 | 113.2 | E218 E219 E220 Q225 H227 | E218-K222 WeakPolarHBondContact O-CB 3.42Å; E218-K222 PolarHBondContact O-N 3.07Å; E219-K222 PolarHBondContact O-N 3.03Å; E220-K222 VanDerWaalsContact C-N 3.28Å; E220-K222 PolarHBondContact O-N 3.41Å; K222-Q225 WeakPolarHBondContact O-CB 3.49Å; K222-Q225 PolarHBondContact O-N 2.72Å; K222-H227 PolarHBondContact O-CE1 3.28Å; K222-H227 VanDerWaalsContact O-CE1 3.31Å |
| 223 | A | 89.1 | Confident | 91.5 | Very high | 86 Ų | 86 | 125 Ų | 125 | 71% | 0.711 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -72.4 | -34.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112 | E219 E220 | E219-A223 VanDerWaalsContact O-CB 3.3Å; E219-A223 WeakPolarHBondContact O-CB 3.27Å; E219-A223 PolarHBondContact O-N 3.01Å; E220-A223 PolarHBondContact O-N 2.99Å |
| 224 | R | 90.8 | Very high | 91.5 | Very high | 193 Ų | 193 | 124.7 Ų | 124.7 | 73% | 0.728 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -73.9 | -24.3 | 171.7 | -68.7 | 168.2 | 177.5 | -130.2 | 8.4 | 112.7 | E220 S221 F226 | E220-R224 HydrophobicContact CG-CG 4.43Å; E220-R224 VanDerWaalsContact CG-NE 3.35Å; E220-R224 WeakPolarHBondContact O-CB 3.3Å; E220-R224 VanDerWaalsContact O-CG 3.24Å; E220-R224 WeakPolarHBondContact O-CG 3.42Å; E220-R224 PolarHBondContact O-N 3.14Å; E220-R224 IonicContact OE1-CZ 2.89Å; E220-R224 VanDerWaalsContact OE1-CZ 3.26Å; E220-R224 IonicContact OE1-NE 3.81Å; E220-R224 PolarHBondContact OE1-NE 3.08Å; E220-R224 VanDerWaalsContact OE1-NE 3.08Å; E220-R224 IonicContact OE1-NH2 3.41Å; E220-R224 PolarHBondContact OE1-NH2 2.67Å; S221-R224 PolarHBondContact O-N 3.28Å; R224-F226 PolarHBondContact O-N 2.88Å |
| 225 | Q | 93 | Very high | 91.4 | Very high | 119 Ų | 119 | 126.1 Ų | 126.1 | 56% | 0.556 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -65.2 | 122.7 | 177.8 | -176.3 | 179.3 | 13.1 | 0 | 0 | 111.1 | S221 K222 H227 | S221-Q225 WeakPolarHBondContact O-CB 3.44Å; S221-Q225 PolarHBondContact O-N 2.87Å; K222-Q225 WeakPolarHBondContact O-CB 3.49Å; K222-Q225 PolarHBondContact O-N 2.72Å; Q225-H227 PolarHBondContact O-N 3.09Å; Q225-H227 PolarHBondContact O-ND1 3.01Å |
| 226 | F | 90.3 | Very high | 91.3 | Very high | 182 Ų | 182 | 122.7 Ų | 122.7 | 80% | 0.798 | 61% | 0.608 | S | S | * | * | trans | -69.2 | 99.9 | 177 | -176.8 | -101.4 | 0 | 0 | 0 | 111.5 | R224 S228 | R224-F226 PolarHBondContact O-N 2.88Å; F226-S228 PolarHBondContact O-N 3.36Å | ||
| 227 | H | 86 | Confident | 91.3 | Very high | 110 Ų | 110 | 117.5 Ų | 117.5 | 51% | 0.509 | 59% | 0.592 | S | S | . | * | trans | -84.9 | 103.1 | 171.9 | -69.2 | 74.2 | 0 | 0 | 0 | 109.2 | K222 Q225 R229 | K222-H227 PolarHBondContact O-CE1 3.28Å; K222-H227 VanDerWaalsContact O-CE1 3.31Å; Q225-H227 PolarHBondContact O-N 3.09Å; Q225-H227 PolarHBondContact O-ND1 3.01Å; H227-R229 PolarHBondContact O-N 3.26Å; H227-R229 VanDerWaalsContact O-N 3.16Å | ||
| 228 | S | 88.4 | Confident | 91.4 | Very high | 94 Ų | 94 | 120 Ų | 120 | 66% | 0.657 | 60% | 0.597 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 117.7 | 174.8 | 50.6 | 0 | 0 | 0 | 0 | 110.2 | F226 | F226-S228 PolarHBondContact O-N 3.36Š|
| 229 | R | 84.2 | Confident | 91.4 | Very high | 237 Ų | 237 | 120.8 Ų | 120.8 | 89% | 0.894 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 126.9 | 176.2 | -60.7 | -177.6 | 74 | 170.3 | 4.4 | 108 | H227 | H227-R229 PolarHBondContact O-N 3.26Å; H227-R229 VanDerWaalsContact O-N 3.16Å |
| 230 | P | 90.1 | Very high | 91.3 | Very high | 114 Ų | 114 | 121 Ų | 121 | 74% | 0.74 | 59% | 0.594 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 149.3 | 177.6 | 26.3 | -34.5 | 0 | 0 | 0 | 110.3 | ||
| 231 | M | 92.7 | Very high | 91.1 | Very high | 153 Ų | 153 | 121.5 Ų | 121.5 | 75% | 0.754 | 60% | 0.598 | S | S | * | * | P | Polyproline II helix | trans | -50.3 | 124 | 179.7 | -175.5 | 64.1 | 72.6 | 0 | 0 | 110.3 | N233 F234 | M231-N233 PolarHBondContact O-N 2.94Å; M231-F234 HydrophobicContact SD-CE2 4.09Å |
| 232 | P | 92.9 | Very high | 90.9 | Very high | 71 Ų | 71 | 124.6 Ų | 124.6 | 46% | 0.461 | 61% | 0.609 | S | S | . | * | P | Polyproline II helix | trans | -54.2 | 129.9 | 178.1 | -27.7 | 35.6 | 0 | 0 | 0 | 110.8 | F234 | P232-F234 VanDerWaalsContact C-N 3.27Å; P232-F234 HydrophobicContact CB-CE2 4.23Å; P232-F234 HydrophobicContact CB-CZ 4.18Å; P232-F234 HydrophobicContact CG-CZ 4.48Å; P232-F234 WeakPolarHBondContact O-CD2 3.38Å; P232-F234 WeakPolarHBondContact O-CE2 3.28Å; P232-F234 PolarHBondContact O-N 3.14Å |
| 233 | N | 92.4 | Very high | 90.6 | Very high | 101 Ų | 101 | 124.3 Ų | 124.3 | 54% | 0.54 | 61% | 0.609 | S | S | . | * | trans | -74.6 | 83.9 | 179.3 | -174.3 | -17.7 | 0 | 0 | 0 | 109.9 | M231 K235 A236 M237 | M231-N233 PolarHBondContact O-N 2.94Å; N233-K235 PolarHBondContact O-N 3.21Å; N233-K235 WeakPolarHBondContact OD1-CB 3.24Å; N233-K235 PolarHBondContact OD1-N 3.43Å; N233-A236 HydrophobicContact CB-CB 4.03Å; N233-A236 PolarHBondContact O-N 3.38Å; N233-A236 PolarHBondContact OD1-N 2.99Å; N233-M237 VanDerWaalsContact O-CG 3.3Å; N233-M237 WeakPolarHBondContact O-CG 3.48Å; N233-M237 PolarHBondContact O-N 3.02Å | ||
| 234 | F | 92.9 | Very high | 90.4 | Very high | 104 Ų | 104 | 125.3 Ų | 125.3 | 46% | 0.456 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -57.1 | -33 | -179.8 | -66 | -79.3 | 0 | 0 | 0 | 112.7 | M231 P232 M237 H238 | M231-F234 HydrophobicContact SD-CE2 4.09Å; P232-F234 VanDerWaalsContact C-N 3.27Å; P232-F234 HydrophobicContact CB-CE2 4.23Å; P232-F234 HydrophobicContact CB-CZ 4.18Å; P232-F234 HydrophobicContact CG-CZ 4.48Å; P232-F234 WeakPolarHBondContact O-CD2 3.38Å; P232-F234 WeakPolarHBondContact O-CE2 3.28Å; P232-F234 PolarHBondContact O-N 3.14Å; F234-M237 HydrophobicContact CD1-CE 3.99Å; F234-M237 HydrophobicContact CE1-CE 4.13Å; F234-M237 PolarHBondContact O-N 3.44Å; F234-H238 WeakPolarHBondContact O-CB 3.37Å; F234-H238 PolarHBondContact O-CD2 2.9Å; F234-H238 VanDerWaalsContact O-CG 3.22Å; F234-H238 PolarHBondContact O-N 3.18Å |
| 235 | K | 92.7 | Very high | 90 | Very high | 181 Ų | 181 | 120.1 Ų | 120.1 | 79% | 0.787 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -62.3 | -46.1 | 174.4 | -63.4 | -177.5 | 178.8 | -179.5 | 0 | 111.2 | N233 K239 | N233-K235 PolarHBondContact O-N 3.21Å; N233-K235 WeakPolarHBondContact OD1-CB 3.24Å; N233-K235 PolarHBondContact OD1-N 3.43Å; K235-K239 WeakPolarHBondContact O-CB 3.29Å; K235-K239 PolarHBondContact O-N 3.14Å |
| 236 | A | 93.1 | Very high | 89.5 | Confident | 51 Ų | 51 | 119.9 Ų | 119.9 | 42% | 0.421 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -67.4 | -37.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | N233 R240 | N233-A236 HydrophobicContact CB-CB 4.03Å; N233-A236 PolarHBondContact O-N 3.38Å; N233-A236 PolarHBondContact OD1-N 2.99Å; A236-R240 WeakPolarHBondContact O-CB 3.41Å; A236-R240 PolarHBondContact O-N 2.97Å |
| 237 | M | 92.3 | Very high | 89.2 | Confident | 66 Ų | 66 | 117.8 Ų | 117.8 | 33% | 0.325 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -62.5 | -45.9 | 175.4 | -60.6 | -133.2 | -59.1 | 0 | 0 | 111.9 | N233 F234 R240 M241 | N233-M237 VanDerWaalsContact O-CG 3.3Å; N233-M237 WeakPolarHBondContact O-CG 3.48Å; N233-M237 PolarHBondContact O-N 3.02Å; F234-M237 HydrophobicContact CD1-CE 3.99Å; F234-M237 HydrophobicContact CE1-CE 4.13Å; F234-M237 PolarHBondContact O-N 3.44Å; M237-R240 WeakPolarHBondContact O-CB 3.44Å; M237-R240 PolarHBondContact O-N 2.83Å; M237-R240 PolarHBondContact SD-NH2 3.36Å; M237-M241 VanDerWaalsContact O-CG 3.28Å; M237-M241 WeakPolarHBondContact O-CG 3.04Å; M237-M241 PolarHBondContact O-N 3.47Å |
| 238 | H | 92.8 | Very high | 89 | Confident | 111 Ų | 111 | 119.8 Ų | 119.8 | 51% | 0.514 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -70.1 | -38.9 | 179.7 | -64.8 | 176 | 0 | 0 | 0 | 111.7 | F234 R240 M241 N242 | F234-H238 WeakPolarHBondContact O-CB 3.37Å; F234-H238 PolarHBondContact O-CD2 2.9Å; F234-H238 VanDerWaalsContact O-CG 3.22Å; F234-H238 PolarHBondContact O-N 3.18Å; H238-R240 VanDerWaalsContact C-N 3.34Å; H238-R240 PolarHBondContact O-N 3.2Å; H238-M241 PolarHBondContact O-N 3.19Å; H238-N242 WeakPolarHBondContact O-CB 3.47Å; H238-N242 PolarHBondContact O-N 3.01Å; H238-N242 PolarHBondContact O-OD1 2.83Å |
| 239 | K | 93.9 | Very high | 88.9 | Confident | 134 Ų | 134 | 124.3 Ų | 124.3 | 58% | 0.583 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -54.5 | -51.5 | 170.7 | -178.6 | 175.9 | 169.9 | 177.6 | 0 | 110.8 | K235 M241 N242 E243 | K235-K239 WeakPolarHBondContact O-CB 3.29Å; K235-K239 PolarHBondContact O-N 3.14Å; K239-M241 PolarHBondContact O-N 3.07Å; K239-N242 PolarHBondContact O-N 3.26Å; K239-E243 WeakPolarHBondContact CE-OE1 3.31Å; K239-E243 IonicContact NZ-OE1 3.29Å; K239-E243 VanDerWaalsContact O-CG 3.31Å; K239-E243 WeakPolarHBondContact O-CG 3.29Å; K239-E243 PolarHBondContact O-N 3.17Å |
| 240 | R | 91.8 | Very high | 88.9 | Confident | 129 Ų | 129 | 119.8 Ų | 119.8 | 49% | 0.487 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -55.9 | -44.2 | 173.7 | 165 | 177.7 | 65.1 | -172 | 1.7 | 113.2 | A236 M237 H238 N242 E243 L244 | A236-R240 WeakPolarHBondContact O-CB 3.41Å; A236-R240 PolarHBondContact O-N 2.97Å; M237-R240 WeakPolarHBondContact O-CB 3.44Å; M237-R240 PolarHBondContact O-N 2.83Å; M237-R240 PolarHBondContact SD-NH2 3.36Å; H238-R240 VanDerWaalsContact C-N 3.34Å; H238-R240 PolarHBondContact O-N 3.2Å; R240-N242 VanDerWaalsContact C-N 3.33Å; R240-E243 PolarHBondContact O-N 3.32Å; R240-L244 WeakPolarHBondContact O-CG 3.23Å; R240-L244 PolarHBondContact O-N 3.29Å; R240-L244 VanDerWaalsContact O-N 3.09Å |
| 241 | M | 88.3 | Confident | 88.8 | Confident | 102 Ų | 102 | 120.7 Ų | 120.7 | 50% | 0.502 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -67.6 | -33.3 | 179.5 | -68.9 | -68.6 | 99.4 | 0 | 0 | 112.3 | M237 H238 K239 L244 | M237-M241 VanDerWaalsContact O-CG 3.28Å; M237-M241 WeakPolarHBondContact O-CG 3.04Å; M237-M241 PolarHBondContact O-N 3.47Å; H238-M241 PolarHBondContact O-N 3.19Å; K239-M241 PolarHBondContact O-N 3.07Å; M241-L244 HydrophobicContact CE-CD1 3.59Å; M241-L244 PolarHBondContact O-N 3.39Å |
| 242 | N | 86.6 | Confident | 88.3 | Confident | 142 Ų | 142 | 119 Ų | 119 | 76% | 0.759 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -74.8 | -29.2 | 175.5 | -63.9 | -4.2 | 0 | 0 | 0 | 112.4 | H238 K239 R240 | H238-N242 WeakPolarHBondContact O-CB 3.47Å; H238-N242 PolarHBondContact O-N 3.01Å; H238-N242 PolarHBondContact O-OD1 2.83Å; K239-N242 PolarHBondContact O-N 3.26Å; R240-N242 VanDerWaalsContact C-N 3.33Å |
| 243 | E | 88.4 | Confident | 87.7 | Confident | 130 Ų | 130 | 121.1 Ų | 121.1 | 61% | 0.607 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -75.4 | -24.2 | 173.9 | -71.9 | 165.3 | 162.1 | 0 | 0 | 112.6 | K239 R240 A245 | K239-E243 WeakPolarHBondContact CE-OE1 3.31Å; K239-E243 IonicContact NZ-OE1 3.29Å; K239-E243 VanDerWaalsContact O-CG 3.31Å; K239-E243 WeakPolarHBondContact O-CG 3.29Å; K239-E243 PolarHBondContact O-N 3.17Å; R240-E243 PolarHBondContact O-N 3.32Å; E243-A245 PolarHBondContact O-N 3.07Å |
| 244 | L | 85.4 | Confident | 87.2 | Confident | 108 Ų | 108 | 127.2 Ų | 127.2 | 57% | 0.565 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -78.1 | 100 | 172.6 | -72.3 | -178.6 | 0 | 0 | 0 | 111.2 | R240 M241 V246 | R240-L244 WeakPolarHBondContact O-CG 3.23Å; R240-L244 PolarHBondContact O-N 3.29Å; R240-L244 VanDerWaalsContact O-N 3.09Å; M241-L244 HydrophobicContact CE-CD1 3.59Å; M241-L244 PolarHBondContact O-N 3.39Å; L244-V246 PolarHBondContact O-N 2.74Å |
| 245 | A | 81.3 | Confident | 86.5 | Confident | 84 Ų | 84 | 125.9 Ų | 125.9 | 69% | 0.694 | 64% | 0.643 | S | S | * | * | trans | -54.5 | 129.9 | 168.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | E243 I247 | E243-A245 PolarHBondContact O-N 3.07Å; A245-I247 PolarHBondContact O-N 3.45Å | ||
| 246 | V | 84 | Confident | 85.9 | Confident | 113 Ų | 113 | 120.9 Ų | 120.9 | 69% | 0.685 | 63% | 0.629 | S | S | * | * | trans | -75.9 | 89.5 | -177.1 | -175.7 | 0 | 0 | 0 | 0 | 110.5 | L244 H248 | L244-V246 PolarHBondContact O-N 2.74Å; V246-H248 PolarHBondContact O-N 2.67Å; V246-H248 PolarHBondContact O-ND1 3.28Å | ||
| 247 | I | 82.3 | Confident | 84.8 | Confident | 138 Ų | 138 | 124.2 Ų | 124.2 | 71% | 0.708 | 64% | 0.636 | S | S | * | * | trans | -76 | 94.1 | 178.1 | -56.3 | 176.3 | 0 | 0 | 0 | 109.9 | A245 K249 | A245-I247 PolarHBondContact O-N 3.45Å; I247-K249 HydrophobicContact CG2-CG 4.35Å; I247-K249 PolarHBondContact O-N 2.85Å | ||
| 248 | H | 83.5 | Confident | 83.6 | Confident | 152 Ų | 152 | 126.1 Ų | 126.1 | 70% | 0.704 | 65% | 0.651 | S | S | * | * | trans | -67 | 98.1 | 170.7 | -65 | 105.1 | 0 | 0 | 0 | 110.9 | V246 I250 | V246-H248 PolarHBondContact O-N 2.67Å; V246-H248 PolarHBondContact O-ND1 3.28Å; H248-I250 PolarHBondContact O-N 3.27Å | ||
| 249 | K | 84.9 | Confident | 82.4 | Confident | 190 Ų | 190 | 124.2 Ų | 124.2 | 83% | 0.826 | 64% | 0.644 | S | S | * | * | trans | -74.9 | 86.9 | 174.5 | -66.4 | -175.1 | -179 | -179.7 | 0 | 110.7 | I247 T251 | I247-K249 HydrophobicContact CG2-CG 4.35Å; I247-K249 PolarHBondContact O-N 2.85Å; K249-T251 PolarHBondContact O-N 3.09Å | ||
| 250 | I | 84.8 | Confident | 81.3 | Confident | 141 Ų | 141 | 123.3 Ų | 123.3 | 72% | 0.723 | 64% | 0.641 | S | S | * | * | trans | -78.6 | 114.7 | 173.9 | -58.2 | 176.2 | 0 | 0 | 0 | 109.2 | H248 V252 | H248-I250 PolarHBondContact O-N 3.27Å; I250-V252 PolarHBondContact O-N 2.89Å; I250-V252 VanDerWaalsContact O-N 3.14Å | ||
| 251 | T | 87.2 | Confident | 80.3 | Confident | 133 Ų | 133 | 122.5 Ų | 122.5 | 82% | 0.816 | 64% | 0.642 | S | S | * | * | trans | -72.2 | 103.4 | 174.7 | -53.8 | 0 | 0 | 0 | 0 | 110.3 | K249 | K249-T251 PolarHBondContact O-N 3.09Š| ||
| 252 | V | 82.4 | Confident | 79.6 | Confident | 117 Ų | 117 | 120.5 Ų | 120.5 | 71% | 0.709 | 64% | 0.638 | S | S | * | * | trans | -69.3 | 130.2 | 171.9 | -178.8 | 0 | 0 | 0 | 0 | 109.3 | I250 R254 | I250-V252 PolarHBondContact O-N 2.89Å; I250-V252 VanDerWaalsContact O-N 3.14Å; V252-R254 PolarHBondContact O-N 3.08Å; V252-R254 VanDerWaalsContact O-N 3.08Å | ||
| 253 | P | 81 | Confident | 78.9 | Confident | 116 Ų | 116 | 119.6 Ų | 119.6 | 75% | 0.753 | 63% | 0.629 | S | S | * | * | trans | -68.2 | 108.7 | 179.7 | 26.8 | -34.1 | 0 | 0 | 0 | 111.2 | T255 | P253-T255 PolarHBondContact O-N 2.97Š| ||
| 254 | R | 82.6 | Confident | 78.2 | Confident | 229 Ų | 229 | 116 Ų | 116 | 86% | 0.864 | 62% | 0.619 | S | S | * | * | trans | -69.9 | 114.2 | 172.5 | -178.6 | 176.5 | 175.9 | 178 | -1.4 | 109.3 | V252 | V252-R254 PolarHBondContact O-N 3.08Å; V252-R254 VanDerWaalsContact O-N 3.08Å | ||
| 255 | T | 76.5 | Confident | 77.5 | Confident | 77 Ų | 77 | 114 Ų | 114 | 47% | 0.472 | 61% | 0.609 | S | S | . | * | trans | -62 | 135.9 | 173.7 | 47 | 0 | 0 | 0 | 0 | 110.6 | P253 | P253-T255 PolarHBondContact O-N 2.97Š| ||
| 256 | P | 81.5 | Confident | 77.1 | Confident | 76 Ų | 76 | 113.3 Ų | 113.3 | 49% | 0.494 | 60% | 0.596 | S | S | . | * | trans | -66.5 | 142.4 | 174.4 | 26.9 | -31.6 | 0 | 0 | 0 | 109.9 | T258 L259 | P256-T258 VanDerWaalsContact C-N 3.27Å; P256-T258 PolarHBondContact O-N 3.39Å; P256-L259 HydrophobicContact CG-CB 4.18Å; P256-L259 HydrophobicContact CG-CD1 4.35Å; P256-L259 VanDerWaalsContact O-CB 3.29Å; P256-L259 WeakPolarHBondContact O-CB 3.19Å; P256-L259 PolarHBondContact O-N 3.37Å | ||
| 257 | E | 68.9 | Low | 76.5 | Confident | 121 Ų | 121 | 112.4 Ų | 112.4 | 57% | 0.565 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -60.3 | -35.6 | -171.5 | -172.4 | 141.7 | -129.4 | 0 | 0 | 113.1 | L259 K260 H261 | E257-L259 PolarHBondContact O-N 2.91Å; E257-L259 VanDerWaalsContact O-N 3.14Å; E257-K260 WeakPolarHBondContact O-CB 3.41Å; E257-K260 PolarHBondContact O-N 2.86Å; E257-H261 WeakPolarHBondContact CG-NE2 3.36Å; E257-H261 PolarHBondContact O-CD2 3.36Å; E257-H261 PolarHBondContact O-N 2.89Å |
| 258 | T | 67.4 | Low | 76 | Confident | 105 Ų | 105 | 112.8 Ų | 112.8 | 64% | 0.644 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -54.6 | -29.7 | 171.8 | 52.1 | 0 | 0 | 0 | 0 | 113.9 | P256 S262 | P256-T258 VanDerWaalsContact C-N 3.27Å; P256-T258 PolarHBondContact O-N 3.39Å; T258-S262 PolarHBondContact O-N 3.49Å |
| 259 | L | 68.2 | Low | 75.3 | Confident | 71 Ų | 71 | 113.8 Ų | 113.8 | 37% | 0.372 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -78.7 | -30 | 178.8 | -147.3 | 166 | 0 | 0 | 0 | 111.6 | P256 E257 S262 Q263 | P256-L259 HydrophobicContact CG-CB 4.18Å; P256-L259 HydrophobicContact CG-CD1 4.35Å; P256-L259 VanDerWaalsContact O-CB 3.29Å; P256-L259 WeakPolarHBondContact O-CB 3.19Å; P256-L259 PolarHBondContact O-N 3.37Å; E257-L259 PolarHBondContact O-N 2.91Å; E257-L259 VanDerWaalsContact O-N 3.14Å; L259-S262 WeakPolarHBondContact CA-OG 3.36Å; L259-S262 PolarHBondContact O-OG 3.16Å; L259-S262 VanDerWaalsContact O-OG 3.08Å; L259-Q263 HydrophobicContact CD2-CG 4.15Å; L259-Q263 WeakPolarHBondContact O-CG 3.2Å; L259-Q263 PolarHBondContact O-N 3.05Å; L259-Q263 VanDerWaalsContact O-N 3.09Å |
| 260 | K | 69.7 | Low | 74.4 | Confident | 116 Ų | 116 | 110.9 Ų | 110.9 | 50% | 0.504 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -65.7 | -44 | 169.8 | -58 | -178.4 | 178.5 | -179.3 | 0 | 110.7 | E257 Q263 S264 | E257-K260 WeakPolarHBondContact O-CB 3.41Å; E257-K260 PolarHBondContact O-N 2.86Å; K260-Q263 PolarHBondContact O-N 2.86Å; K260-S264 PolarHBondContact O-N 3.03Å; K260-S264 PolarHBondContact O-OG 3.34Å |
| 261 | H | 72 | Confident | 73.4 | Confident | 112 Ų | 112 | 110 Ų | 110 | 52% | 0.519 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -68.2 | -34.6 | 177.7 | -59.5 | -53.6 | 0 | 0 | 0 | 112.9 | E257 S264 N265 | E257-H261 WeakPolarHBondContact CG-NE2 3.36Å; E257-H261 PolarHBondContact O-CD2 3.36Å; E257-H261 PolarHBondContact O-N 2.89Å; H261-S264 PolarHBondContact O-OG 3.13Å; H261-N265 VanDerWaalsContact O-CB 3.23Å; H261-N265 WeakPolarHBondContact O-CB 3.29Å; H261-N265 PolarHBondContact O-N 3.11Å |
| 262 | S | 73.1 | Confident | 72.2 | Confident | 60 Ų | 60 | 110 Ų | 110 | 42% | 0.42 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -69.3 | -40.1 | 175 | 69.7 | 0 | 0 | 0 | 0 | 111.7 | T258 L259 N265 V266 | T258-S262 PolarHBondContact O-N 3.49Å; L259-S262 WeakPolarHBondContact CA-OG 3.36Å; L259-S262 PolarHBondContact O-OG 3.16Å; L259-S262 VanDerWaalsContact O-OG 3.08Å; S262-N265 PolarHBondContact O-N 2.8Å; S262-V266 WeakPolarHBondContact O-CG2 3.48Å; S262-V266 PolarHBondContact O-N 3.46Å |
| 263 | Q | 71.2 | Confident | 71 | Confident | 122 Ų | 122 | 108.6 Ų | 108.6 | 57% | 0.57 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -60.8 | -48.9 | 172.8 | -74.7 | 177.7 | -9.4 | 0 | 0 | 111.9 | L259 K260 N265 V266 E267 | L259-Q263 HydrophobicContact CD2-CG 4.15Å; L259-Q263 WeakPolarHBondContact O-CG 3.2Å; L259-Q263 PolarHBondContact O-N 3.05Å; L259-Q263 VanDerWaalsContact O-N 3.09Å; K260-Q263 PolarHBondContact O-N 2.86Å; Q263-N265 PolarHBondContact O-N 3.24Å; Q263-V266 PolarHBondContact O-N 3.35Å; Q263-V266 VanDerWaalsContact O-N 3.14Å; Q263-E267 PolarHBondContact O-N 3.5Å |
| 264 | S | 73.7 | Confident | 69.8 | Low | 56 Ų | 56 | 108.6 Ų | 108.6 | 39% | 0.392 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -71.9 | -9.5 | 178.3 | 72.6 | 0 | 0 | 0 | 0 | 114.8 | K260 H261 R268 | K260-S264 PolarHBondContact O-N 3.03Å; K260-S264 PolarHBondContact O-OG 3.34Å; H261-S264 PolarHBondContact O-OG 3.13Å; S264-R268 PolarHBondContact O-NE 3.38Å; S264-R268 PolarHBondContact O-NH2 3.32Å |
| 265 | N | 71.2 | Confident | 68.7 | Low | 66 Ų | 66 | 101.6 Ų | 101.6 | 35% | 0.353 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -92.3 | -31.6 | 170.3 | -160.6 | -45.6 | 0 | 0 | 0 | 111 | H261 S262 Q263 R269 | H261-N265 VanDerWaalsContact O-CB 3.23Å; H261-N265 WeakPolarHBondContact O-CB 3.29Å; H261-N265 PolarHBondContact O-N 3.11Å; S262-N265 PolarHBondContact O-N 2.8Å; Q263-N265 PolarHBondContact O-N 3.24Å; N265-R269 WeakPolarHBondContact O-CD 3.35Å; N265-R269 WeakPolarHBondContact O-CG 3.41Å; N265-R269 PolarHBondContact O-N 3.01Å; N265-R269 PolarHBondContact O-NE 2.99Å; N265-R269 VanDerWaalsContact OD1-CZ 3.29Å; N265-R269 PolarHBondContact OD1-NE 2.86Å; N265-R269 PolarHBondContact OD1-NH2 3.14Å |
| 266 | V | 72.5 | Confident | 67.5 | Low | 69 Ų | 69 | 102.3 Ų | 102.3 | 42% | 0.418 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -70.2 | -38.3 | 170.4 | 167.6 | 0 | 0 | 0 | 0 | 111.7 | S262 Q263 R269 R270 | S262-V266 WeakPolarHBondContact O-CG2 3.48Å; S262-V266 PolarHBondContact O-N 3.46Å; Q263-V266 PolarHBondContact O-N 3.35Å; Q263-V266 VanDerWaalsContact O-N 3.14Å; V266-R269 PolarHBondContact O-N 3.49Å; V266-R270 PolarHBondContact O-N 2.84Å |
| 267 | E | 72.8 | Confident | 66.2 | Low | 94 Ų | 94 | 105.2 Ų | 105.2 | 44% | 0.439 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65 | -50 | -179.1 | -138.9 | 64 | -169.8 | 0 | 0 | 111.6 | Q263 R269 R270 D271 | Q263-E267 PolarHBondContact O-N 3.5Å; E267-R269 VanDerWaalsContact C-N 3.25Å; E267-R269 PolarHBondContact O-N 2.98Å; E267-R270 WeakPolarHBondContact O-CA 3.49Å; E267-R270 VanDerWaalsContact O-CB 3.29Å; E267-R270 WeakPolarHBondContact O-CB 3.43Å; E267-R270 PolarHBondContact O-N 3Å; E267-R270 IonicContact OE1-NH1 3.06Å; E267-R270 PolarHBondContact OE1-NH1 3.34Å; E267-R270 IonicContact OE2-CZ 3.66Å; E267-R270 IonicContact OE2-NH1 3.08Å; E267-R270 PolarHBondContact OE2-NH1 3.1Å; E267-D271 PolarHBondContact O-N 3.45Å |
| 268 | R | 71.5 | Confident | 65.4 | Low | 145 Ų | 145 | 103.7 Ų | 103.7 | 55% | 0.547 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -55.3 | -38.8 | 175.3 | -75.4 | 178.6 | -76.2 | 167.7 | -4.1 | 113.1 | S264 R270 D271 D272 | S264-R268 PolarHBondContact O-NE 3.38Å; S264-R268 PolarHBondContact O-NH2 3.32Å; R268-R270 PolarHBondContact O-N 2.99Å; R268-R270 VanDerWaalsContact O-N 3.17Å; R268-D271 PolarHBondContact O-N 3.28Å; R268-D271 VanDerWaalsContact O-N 3.07Å; R268-D272 VanDerWaalsContact O-CG 3.3Å; R268-D272 PolarHBondContact O-N 2.98Å |
| 269 | R | 67.4 | Low | 64.8 | Low | 173 Ų | 173 | 108.9 Ų | 108.9 | 65% | 0.653 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -67.4 | -9.8 | 174.6 | -68 | 170.6 | -161.8 | -141.6 | 1.4 | 114.8 | N265 V266 E267 | N265-R269 WeakPolarHBondContact O-CD 3.35Å; N265-R269 WeakPolarHBondContact O-CG 3.41Å; N265-R269 PolarHBondContact O-N 3.01Å; N265-R269 PolarHBondContact O-NE 2.99Å; N265-R269 VanDerWaalsContact OD1-CZ 3.29Å; N265-R269 PolarHBondContact OD1-NE 2.86Å; N265-R269 PolarHBondContact OD1-NH2 3.14Å; V266-R269 PolarHBondContact O-N 3.49Å; E267-R269 VanDerWaalsContact C-N 3.25Å; E267-R269 PolarHBondContact O-N 2.98Å |
| 270 | R | 65.9 | Low | 63.9 | Low | 129 Ų | 129 | 112 Ų | 112 | 49% | 0.487 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -91.8 | -32.5 | 169.7 | -63.5 | 168.5 | 174 | 161.8 | 5 | 111.6 | V266 E267 R268 | V266-R270 PolarHBondContact O-N 2.84Å; E267-R270 WeakPolarHBondContact O-CA 3.49Å; E267-R270 VanDerWaalsContact O-CB 3.29Å; E267-R270 WeakPolarHBondContact O-CB 3.43Å; E267-R270 PolarHBondContact O-N 3Å; E267-R270 IonicContact OE1-NH1 3.06Å; E267-R270 PolarHBondContact OE1-NH1 3.34Å; E267-R270 IonicContact OE2-CZ 3.66Å; E267-R270 IonicContact OE2-NH1 3.08Å; E267-R270 PolarHBondContact OE2-NH1 3.1Å; R268-R270 PolarHBondContact O-N 2.99Å; R268-R270 VanDerWaalsContact O-N 3.17Å |
| 271 | D | 63.9 | Low | 62.9 | Low | 124 Ų | 124 | 115 Ų | 115 | 66% | 0.663 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -73.7 | -34.5 | 177.9 | -55.3 | -41.8 | 0 | 0 | 0 | 111.5 | E267 R268 | E267-D271 PolarHBondContact O-N 3.45Å; R268-D271 PolarHBondContact O-N 3.28Å; R268-D271 VanDerWaalsContact O-N 3.07Å |
| 272 | D | 62 | Low | 61.7 | Low | 132 Ų | 132 | 115 Ų | 115 | 71% | 0.706 | 60% | 0.595 | S | S | * | * | S | Bend | trans | -76.8 | -24.4 | -173.6 | -71.9 | -37.9 | 0 | 0 | 0 | 115.2 | R268 | R268-D272 VanDerWaalsContact O-CG 3.3Å; R268-D272 PolarHBondContact O-N 2.98Å |
| 273 | D | 56.9 | Low | 60.7 | Low | 87 Ų | 87 | 117 Ų | 117 | 47% | 0.465 | 62% | 0.616 | S | S | . | * | trans | -155.9 | 117.3 | 178.5 | -157.9 | -32.9 | 0 | 0 | 0 | 114.3 | A275 | D273-A275 VanDerWaalsContact OD1-CB 3.29Å; D273-A275 WeakPolarHBondContact OD1-CB 2.98Å; D273-A275 PolarHBondContact OD1-N 3.15Å | ||
| 274 | P | 57.5 | Low | 59.6 | Low | 117 Ų | 117 | 114.1 Ų | 114.1 | 76% | 0.76 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -82 | -7.4 | 177.7 | 33.6 | -35.7 | 0 | 0 | 0 | 114.6 | ||
| 275 | A | 57.9 | Low | 58.7 | Low | 82 Ų | 82 | 118.5 Ų | 118.5 | 68% | 0.678 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -84.6 | -32 | -166 | 0 | 0 | 0 | 0 | 0 | 115.5 | D273 | D273-A275 VanDerWaalsContact OD1-CB 3.29Å; D273-A275 WeakPolarHBondContact OD1-CB 2.98Å; D273-A275 PolarHBondContact OD1-N 3.15Å |
| 276 | D | 51.5 | Low | 57.9 | Low | 92 Ų | 92 | 126.3 Ų | 126.3 | 49% | 0.492 | 67% | 0.667 | S | S | . | * | trans | -110.4 | 13.9 | -162.3 | -149.1 | 14.5 | 0 | 0 | 0 | 115.6 | A278 R279 | D276-A278 PolarHBondContact O-N 2.85Å; D276-R279 PolarHBondContact O-N 3.13Å | ||
| 277 | Q | 55 | Low | 57.3 | Low | 136 Ų | 136 | 128.3 Ų | 128.3 | 64% | 0.636 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.5 | -12 | 176.1 | -64.7 | -166.1 | 23.5 | 0 | 0 | 113.8 | ||
| 278 | A | 53 | Low | 56.9 | Low | 90 Ų | 90 | 134 Ų | 134 | 74% | 0.744 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.5 | -11.8 | -179 | 0 | 0 | 0 | 0 | 0 | 115 | D276 | D276-A278 PolarHBondContact O-N 2.85Š|
| 279 | R | 53.9 | Low | 56.9 | Low | 214 Ų | 214 | 131.7 Ų | 131.7 | 81% | 0.808 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.9 | -14.3 | -171.8 | -70.1 | -170.4 | 169.6 | -146.1 | -3.8 | 116.2 | D276 H281 | D276-R279 PolarHBondContact O-N 3.13Å; R279-H281 PolarHBondContact O-N 2.76Å |
| 280 | L | 49.4 | Very low | 57 | Low | 137 Ų | 137 | 131.1 Ų | 131.1 | 72% | 0.717 | 71% | 0.708 | S | S | * | * | trans | -103.3 | 74.3 | 179.9 | -64.4 | -179.6 | 0 | 0 | 0 | 112.5 | P282 | L280-P282 VanDerWaalsContact C-CD 3.44Å; L280-P282 WeakPolarHBondContact O-CD 3.27Å | ||
| 281 | H | 47.6 | Very low | 57.4 | Low | 179 Ų | 179 | 131.6 Ų | 131.6 | 83% | 0.829 | 72% | 0.716 | S | S | * | * | trans | -88.7 | 90 | 154.4 | -73.5 | -50.4 | 0 | 0 | 0 | 109.6 | R279 | R279-H281 PolarHBondContact O-N 2.76Š| ||
| 282 | P | 48.2 | Very low | 57.9 | Low | 111 Ų | 111 | 131.2 Ų | 131.2 | 72% | 0.721 | 71% | 0.713 | S | S | * | * | trans | -59.9 | 142.2 | 162.5 | 28.8 | -34.4 | 0 | 0 | 0 | 108.4 | L280 G284 | L280-P282 VanDerWaalsContact C-CD 3.44Å; L280-P282 WeakPolarHBondContact O-CD 3.27Å; P282-G284 VanDerWaalsContact C-N 3.29Å; P282-G284 PolarHBondContact O-N 3.39Å | ||
| 283 | A | 52.2 | Low | 58.9 | Low | 103 Ų | 103 | 134.4 Ų | 134.4 | 85% | 0.851 | 72% | 0.715 | S | S | * | * | trans | -65.8 | 85.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | T285 | A283-T285 PolarHBondContact O-N 2.73Š| ||
| 284 | G | 46.6 | Very low | 60.1 | Low | 60 Ų | 60 | 132.8 Ų | 132.8 | 62% | 0.619 | 71% | 0.711 | S | S | * | * | trans | -59.7 | 131.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | P282 R286 | P282-G284 VanDerWaalsContact C-N 3.29Å; P282-G284 PolarHBondContact O-N 3.39Å; G284-R286 PolarHBondContact O-N 3.22Å | ||
| 285 | T | 55.9 | Low | 61.5 | Low | 148 Ų | 148 | 133.5 Ų | 133.5 | 91% | 0.908 | 70% | 0.704 | S | S | * | * | trans | -71.7 | 41.2 | -178.6 | 45.4 | 0 | 0 | 0 | 0 | 113.6 | A283 S287 | A283-T285 PolarHBondContact O-N 2.73Å; T285-S287 PolarHBondContact O-N 2.96Å; T285-S287 VanDerWaalsContact O-N 3.13Å | ||
| 286 | R | 54.2 | Low | 62.9 | Low | 230 Ų | 230 | 133.1 Ų | 133.1 | 87% | 0.868 | 69% | 0.688 | S | S | * | * | trans | -64.5 | 111.3 | 156.7 | -68.2 | -171.9 | 179.8 | -122.7 | -0.8 | 106.6 | G284 R288 | G284-R286 PolarHBondContact O-N 3.22Å; R286-R288 VanDerWaalsContact C-N 3.31Å; R286-R288 PolarHBondContact O-N 3.25Å | ||
| 287 | S | 60.1 | Low | 64.8 | Low | 112 Ų | 112 | 137.6 Ų | 137.6 | 78% | 0.783 | 70% | 0.698 | S | S | * | * | trans | -54.1 | 102.3 | 159.4 | 39.2 | 0 | 0 | 0 | 0 | 107.2 | T285 P289 | T285-S287 PolarHBondContact O-N 2.96Å; T285-S287 VanDerWaalsContact O-N 3.13Å; S287-P289 VanDerWaalsContact O-CD 3.3Å; S287-P289 WeakPolarHBondContact O-CD 3.3Å | ||
| 288 | R | 63.8 | Low | 66.6 | Low | 212 Ų | 212 | 134.1 Ų | 134.1 | 80% | 0.8 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 119.3 | 168.1 | -101.7 | -178.9 | 164.1 | 172 | -4.3 | 105.2 | R286 F290 | R286-R288 VanDerWaalsContact C-N 3.31Å; R286-R288 PolarHBondContact O-N 3.25Å; R288-F290 PolarHBondContact O-N 3.37Å |
| 289 | P | 71.6 | Confident | 68.6 | Low | 97 Ų | 97 | 134.8 Ų | 134.8 | 63% | 0.63 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 136.2 | 168.3 | 24.4 | -32.2 | 0 | 0 | 0 | 106.5 | S287 H291 | S287-P289 VanDerWaalsContact O-CD 3.3Å; S287-P289 WeakPolarHBondContact O-CD 3.3Å; P289-H291 PolarHBondContact O-N 3.17Å; P289-H291 VanDerWaalsContact O-N 3.17Å; P289-H291 PolarHBondContact O-ND1 2.71Å |
| 290 | F | 70.9 | Confident | 70.5 | Confident | 161 Ų | 161 | 128.1 Ų | 128.1 | 71% | 0.706 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -49 | 129.7 | 168.4 | 43.5 | -98.3 | 0 | 0 | 0 | 106.6 | R288 L292 | R288-F290 PolarHBondContact O-N 3.37Å; F290-L292 HydrophobicContact CD2-CB 3.83Å; F290-L292 HydrophobicContact CD2-CD1 3.74Å; F290-L292 HydrophobicContact CD2-CG 4.28Å; F290-L292 HydrophobicContact CE2-CB 3.98Å; F290-L292 HydrophobicContact CE2-CD1 3.88Å; F290-L292 HydrophobicContact CE2-CD2 4.2Å; F290-L292 HydrophobicContact CE2-CG 4.23Å; F290-L292 PolarHBondContact O-N 2.94Å |
| 291 | H | 73.9 | Confident | 72.7 | Confident | 140 Ų | 140 | 128.7 Ų | 128.7 | 65% | 0.648 | 64% | 0.642 | S | S | * | * | trans | -75.9 | 75.3 | -174.8 | -72.5 | 40.5 | 0 | 0 | 0 | 108.1 | P289 R293 | P289-H291 PolarHBondContact O-N 3.17Å; P289-H291 VanDerWaalsContact O-N 3.17Å; P289-H291 PolarHBondContact O-ND1 2.71Å; H291-R293 PolarHBondContact O-N 2.81Å | ||
| 292 | L | 73.4 | Confident | 75 | Confident | 116 Ų | 116 | 128.5 Ų | 128.5 | 61% | 0.607 | 63% | 0.634 | S | S | * | * | trans | -65.6 | 106.5 | -176.5 | -153.1 | 73.1 | 0 | 0 | 0 | 107 | F290 S294 | F290-L292 HydrophobicContact CD2-CB 3.83Å; F290-L292 HydrophobicContact CD2-CD1 3.74Å; F290-L292 HydrophobicContact CD2-CG 4.28Å; F290-L292 HydrophobicContact CE2-CB 3.98Å; F290-L292 HydrophobicContact CE2-CD1 3.88Å; F290-L292 HydrophobicContact CE2-CD2 4.2Å; F290-L292 HydrophobicContact CE2-CG 4.23Å; F290-L292 PolarHBondContact O-N 2.94Å; L292-S294 PolarHBondContact O-N 2.99Å | ||
| 293 | R | 83.1 | Confident | 77.3 | Confident | 198 Ų | 198 | 129 Ų | 129 | 75% | 0.747 | 63% | 0.627 | S | S | * | * | trans | -76.4 | 50.2 | 178.4 | -60.1 | -170.6 | 176.2 | 124 | -3.5 | 110.7 | H291 Q296 R297 | H291-R293 PolarHBondContact O-N 2.81Å; R293-Q296 HydrophobicContact CB-CB 3.94Å; R293-Q296 PolarHBondContact O-N 2.86Å; R293-R297 WeakPolarHBondContact O-CB 3.48Å; R293-R297 PolarHBondContact O-N 3.18Å | ||
| 294 | S | 83.4 | Confident | 79.4 | Confident | 53 Ų | 53 | 130.4 Ų | 130.4 | 37% | 0.371 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -56.8 | -51.6 | 177.9 | 48.6 | 0 | 0 | 0 | 0 | 110.6 | L292 Q296 R297 V298 | L292-S294 PolarHBondContact O-N 2.99Å; S294-Q296 VanDerWaalsContact C-N 3.28Å; S294-Q296 PolarHBondContact O-N 3.21Å; S294-R297 PolarHBondContact O-N 3.33Å; S294-V298 WeakPolarHBondContact O-CG2 3.33Å; S294-V298 PolarHBondContact O-N 3.31Å |
| 295 | E | 85.3 | Confident | 81.7 | Confident | 133 Ų | 133 | 130.4 Ų | 130.4 | 62% | 0.621 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -61.1 | -34.1 | 178.8 | -63.1 | -50.1 | 130.1 | 0 | 0 | 113.5 | R299 | E295-R299 PolarHBondContact O-N 2.9Å; E295-R299 PolarHBondContact O-NE 2.89Å |
| 296 | Q | 88.8 | Confident | 83.6 | Confident | 73 Ų | 73 | 125.8 Ų | 125.8 | 34% | 0.341 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -70.4 | -53.1 | 173.4 | -168.9 | 62 | 43.7 | 0 | 0 | 109.9 | R293 S294 V298 R299 D300 | R293-Q296 HydrophobicContact CB-CB 3.94Å; R293-Q296 PolarHBondContact O-N 2.86Å; S294-Q296 VanDerWaalsContact C-N 3.28Å; S294-Q296 PolarHBondContact O-N 3.21Å; Q296-V298 PolarHBondContact O-N 2.89Å; Q296-V298 VanDerWaalsContact O-N 3.15Å; Q296-R299 VanDerWaalsContact CD-NH1 3.26Å; Q296-R299 CarbonylContact O-C 3.56Å; Q296-R299 WeakPolarHBondContact O-CA 3.37Å; Q296-R299 WeakPolarHBondContact O-CB 3.28Å; Q296-R299 PolarHBondContact O-N 3.31Å; Q296-R299 VanDerWaalsContact OE1-CZ 3.3Å; Q296-D300 PolarHBondContact NE2-OD1 3.15Å; Q296-D300 PolarHBondContact O-N 3.15Å |
| 297 | R | 90.1 | Very high | 85.6 | Confident | 186 Ų | 186 | 117.4 Ų | 117.4 | 70% | 0.702 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -57 | -34.2 | -179.6 | -174.4 | -177.2 | -69.1 | -175.6 | -3 | 112.7 | R293 S294 R301 | R293-R297 WeakPolarHBondContact O-CB 3.48Å; R293-R297 PolarHBondContact O-N 3.18Å; S294-R297 PolarHBondContact O-N 3.33Å; R297-R301 WeakPolarHBondContact O-CB 3.42Å; R297-R301 PolarHBondContact O-N 2.9Å |
| 298 | V | 93.6 | Very high | 87.3 | Confident | 63 Ų | 63 | 114.9 Ų | 114.9 | 38% | 0.382 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -69.7 | -37.9 | 174.9 | 169.5 | 0 | 0 | 0 | 0 | 111.6 | S294 Q296 R302 | S294-V298 WeakPolarHBondContact O-CG2 3.33Å; S294-V298 PolarHBondContact O-N 3.31Å; Q296-V298 PolarHBondContact O-N 2.89Å; Q296-V298 VanDerWaalsContact O-N 3.15Å; V298-R302 VanDerWaalsContact O-CG 3.28Å; V298-R302 WeakPolarHBondContact O-CG 3.13Å; V298-R302 PolarHBondContact O-N 3.1Å; V298-R302 VanDerWaalsContact O-N 3.15Å |
| 299 | R | 94.2 | Very high | 88.7 | Confident | 104 Ų | 104 | 111.1 Ų | 111.1 | 39% | 0.392 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -70.1 | -52.5 | 173.3 | -75.6 | -178.1 | -77.2 | 99 | -2.3 | 111.5 | E295 Q296 R301 R302 E303 | E295-R299 PolarHBondContact O-N 2.9Å; E295-R299 PolarHBondContact O-NE 2.89Å; Q296-R299 VanDerWaalsContact CD-NH1 3.26Å; Q296-R299 CarbonylContact O-C 3.56Å; Q296-R299 WeakPolarHBondContact O-CA 3.37Å; Q296-R299 WeakPolarHBondContact O-CB 3.28Å; Q296-R299 PolarHBondContact O-N 3.31Å; Q296-R299 VanDerWaalsContact OE1-CZ 3.3Å; R299-R301 PolarHBondContact O-N 3.29Å; R299-R301 VanDerWaalsContact O-N 3.1Å; R299-R302 PolarHBondContact O-N 3.01Å; R299-E303 WeakPolarHBondContact O-CG 3.3Å; R299-E303 PolarHBondContact O-N 2.73Å |
| 300 | D | 94 | Very high | 89.7 | Confident | 75 Ų | 75 | 110.3 Ų | 110.3 | 40% | 0.401 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -49.2 | -42.1 | 174.9 | -50.9 | -24.2 | 0 | 0 | 0 | 111.3 | Q296 F304 | Q296-D300 PolarHBondContact NE2-OD1 3.15Å; Q296-D300 PolarHBondContact O-N 3.15Å; D300-F304 WeakPolarHBondContact O-CB 3.46Å; D300-F304 PolarHBondContact O-N 2.99Å |
| 301 | R | 95.8 | Very high | 90.8 | Very high | 148 Ų | 148 | 105.1 Ų | 105.1 | 56% | 0.558 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -70.7 | -41.8 | 179.5 | -178.9 | 61.3 | -163.7 | -93 | -4.6 | 113.3 | R297 R299 E303 F304 D305 | R297-R301 WeakPolarHBondContact O-CB 3.42Å; R297-R301 PolarHBondContact O-N 2.9Å; R299-R301 PolarHBondContact O-N 3.29Å; R299-R301 VanDerWaalsContact O-N 3.1Å; R301-E303 VanDerWaalsContact C-N 3.33Å; R301-F304 PolarHBondContact O-N 3.4Å; R301-D305 IonicContact CZ-OD1 3.26Å; R301-D305 IonicContact CZ-OD2 2.85Å; R301-D305 IonicContact NE-OD1 2.99Å; R301-D305 PolarHBondContact NE-OD1 2.85Å; R301-D305 IonicContact NE-OD2 2.65Å; R301-D305 PolarHBondContact NE-OD2 3.49Å; R301-D305 IonicContact NH2-OD1 2.67Å; R301-D305 PolarHBondContact NH2-OD1 2.94Å; R301-D305 IonicContact NH2-OD2 2.65Å; R301-D305 PolarHBondContact NH2-OD2 3.15Å; R301-D305 WeakPolarHBondContact O-CB 3.42Å; R301-D305 VanDerWaalsContact O-CG 3.31Å; R301-D305 PolarHBondContact O-N 3.06Å |
| 302 | R | 96.1 | Very high | 91.6 | Very high | 176 Ų | 176 | 102.8 Ų | 102.8 | 66% | 0.664 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63 | -41.5 | 175.2 | -74.5 | 171.2 | -177.6 | -173.9 | 3 | 111.3 | V298 R299 D305 A306 | V298-R302 VanDerWaalsContact O-CG 3.28Å; V298-R302 WeakPolarHBondContact O-CG 3.13Å; V298-R302 PolarHBondContact O-N 3.1Å; V298-R302 VanDerWaalsContact O-N 3.15Å; R299-R302 PolarHBondContact O-N 3.01Å; R302-D305 PolarHBondContact O-N 2.99Å; R302-A306 VanDerWaalsContact O-CB 3.3Å; R302-A306 WeakPolarHBondContact O-CB 3.39Å; R302-A306 PolarHBondContact O-N 2.81Å |
| 303 | E | 96.1 | Very high | 92.4 | Very high | 122 Ų | 122 | 102.1 Ų | 102.1 | 57% | 0.57 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -63.9 | -43.9 | 176.9 | -69.6 | 165.1 | -141.3 | 0 | 0 | 111 | R299 R301 A306 A307 | R299-E303 WeakPolarHBondContact O-CG 3.3Å; R299-E303 PolarHBondContact O-N 2.73Å; R301-E303 VanDerWaalsContact C-N 3.33Å; E303-A306 PolarHBondContact O-N 2.94Å; E303-A307 WeakPolarHBondContact O-CB 3.41Å; E303-A307 PolarHBondContact O-N 3.14Å |
| 304 | F | 96.3 | Very high | 92.7 | Very high | 132 Ų | 132 | 98 Ų | 98 | 58% | 0.579 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -62 | -50.9 | 173.4 | -178.9 | -92.4 | 0 | 0 | 0 | 112.9 | D300 R301 A306 A307 V308 | D300-F304 WeakPolarHBondContact O-CB 3.46Å; D300-F304 PolarHBondContact O-N 2.99Å; R301-F304 PolarHBondContact O-N 3.4Å; F304-A306 VanDerWaalsContact C-N 3.26Å; F304-A306 PolarHBondContact O-N 3.17Å; F304-A307 PolarHBondContact O-N 2.99Å; F304-V308 HydrophobicContact CD1-CG2 4.13Å; F304-V308 HydrophobicContact CE1-CG2 3.7Å; F304-V308 HydrophobicContact CE2-CG2 4.42Å; F304-V308 HydrophobicContact CZ-CG2 3.86Å; F304-V308 WeakPolarHBondContact O-CG2 3.4Å; F304-V308 PolarHBondContact O-N 3.5Å |
| 305 | D | 96.1 | Very high | 93 | Very high | 60 Ų | 60 | 102 Ų | 102 | 32% | 0.321 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.8 | -35.7 | -178.9 | -70.3 | -25.9 | 0 | 0 | 0 | 111.1 | R301 R302 Q309 | R301-D305 IonicContact CZ-OD1 3.26Å; R301-D305 IonicContact CZ-OD2 2.85Å; R301-D305 IonicContact NE-OD1 2.99Å; R301-D305 PolarHBondContact NE-OD1 2.85Å; R301-D305 IonicContact NE-OD2 2.65Å; R301-D305 PolarHBondContact NE-OD2 3.49Å; R301-D305 IonicContact NH2-OD1 2.67Å; R301-D305 PolarHBondContact NH2-OD1 2.94Å; R301-D305 IonicContact NH2-OD2 2.65Å; R301-D305 PolarHBondContact NH2-OD2 3.15Å; R301-D305 WeakPolarHBondContact O-CB 3.42Å; R301-D305 VanDerWaalsContact O-CG 3.31Å; R301-D305 PolarHBondContact O-N 3.06Å; R302-D305 PolarHBondContact O-N 2.99Å; D305-Q309 WeakPolarHBondContact O-CG 3.5Å; D305-Q309 PolarHBondContact O-N 3.32Å; D305-Q309 VanDerWaalsContact O-N 3.15Å |
| 306 | A | 95.4 | Very high | 93.1 | Very high | 50 Ų | 50 | 103 Ų | 103 | 41% | 0.413 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -68.5 | -44.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | R302 E303 F304 V308 Q309 V310 | R302-A306 VanDerWaalsContact O-CB 3.3Å; R302-A306 WeakPolarHBondContact O-CB 3.39Å; R302-A306 PolarHBondContact O-N 2.81Å; E303-A306 PolarHBondContact O-N 2.94Å; F304-A306 VanDerWaalsContact C-N 3.26Å; F304-A306 PolarHBondContact O-N 3.17Å; A306-V308 VanDerWaalsContact C-N 3.27Å; A306-V308 PolarHBondContact O-N 2.98Å; A306-Q309 PolarHBondContact O-N 2.94Å; A306-Q309 VanDerWaalsContact O-N 3.14Å; A306-V310 WeakPolarHBondContact O-CG2 3.44Å; A306-V310 PolarHBondContact O-N 2.9Å |
| 307 | A | 95.1 | Very high | 93 | Very high | 54 Ų | 54 | 105.2 Ų | 105.2 | 45% | 0.446 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.8 | -35.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | E303 F304 S311 | E303-A307 WeakPolarHBondContact O-CB 3.41Å; E303-A307 PolarHBondContact O-N 3.14Å; F304-A307 PolarHBondContact O-N 2.99Å; A307-S311 WeakPolarHBondContact O-CB 3.45Å; A307-S311 PolarHBondContact O-N 3.37Å; A307-S311 PolarHBondContact O-OG 2.95Å |
| 308 | V | 95.8 | Very high | 92.5 | Very high | 59 Ų | 59 | 100.9 Ų | 100.9 | 36% | 0.358 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.6 | -43.1 | 172.8 | 169.6 | 0 | 0 | 0 | 0 | 111.4 | F304 A306 S311 L312 | F304-V308 HydrophobicContact CD1-CG2 4.13Å; F304-V308 HydrophobicContact CE1-CG2 3.7Å; F304-V308 HydrophobicContact CE2-CG2 4.42Å; F304-V308 HydrophobicContact CZ-CG2 3.86Å; F304-V308 WeakPolarHBondContact O-CG2 3.4Å; F304-V308 PolarHBondContact O-N 3.5Å; A306-V308 VanDerWaalsContact C-N 3.27Å; A306-V308 PolarHBondContact O-N 2.98Å; V308-S311 PolarHBondContact O-N 3.35Å; V308-L312 HydrophobicContact CG1-CD1 4.08Å; V308-L312 VanDerWaalsContact O-CG 3.31Å; V308-L312 WeakPolarHBondContact O-CG 3.39Å; V308-L312 PolarHBondContact O-N 2.76Å |
| 309 | Q | 93.6 | Very high | 91.6 | Very high | 134 Ų | 134 | 102.6 Ų | 102.6 | 63% | 0.626 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62 | -46.6 | 175.2 | -70.9 | -179.4 | 24.1 | 0 | 0 | 112.1 | D305 A306 S311 L312 E313 | D305-Q309 WeakPolarHBondContact O-CG 3.5Å; D305-Q309 PolarHBondContact O-N 3.32Å; D305-Q309 VanDerWaalsContact O-N 3.15Å; A306-Q309 PolarHBondContact O-N 2.94Å; A306-Q309 VanDerWaalsContact O-N 3.14Å; Q309-S311 VanDerWaalsContact C-N 3.32Å; Q309-S311 PolarHBondContact O-N 2.94Å; Q309-L312 PolarHBondContact O-N 2.65Å; Q309-L312 VanDerWaalsContact O-N 3.17Å; Q309-E313 PolarHBondContact O-N 3.17Å |
| 310 | V | 93.8 | Very high | 90.5 | Very high | 79 Ų | 79 | 105.1 Ų | 105.1 | 48% | 0.479 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.9 | -42.3 | 175.9 | 174.3 | 0 | 0 | 0 | 0 | 111.4 | A306 L312 E313 Q314 | A306-V310 WeakPolarHBondContact O-CG2 3.44Å; A306-V310 PolarHBondContact O-N 2.9Å; V310-L312 VanDerWaalsContact C-N 3.34Å; V310-L312 PolarHBondContact O-N 3.23Å; V310-E313 PolarHBondContact O-N 3.41Å; V310-Q314 HydrophobicContact CG1-CG 4.49Å; V310-Q314 WeakPolarHBondContact O-CG 3.35Å; V310-Q314 PolarHBondContact O-N 3.03Å |
| 311 | S | 92.6 | Very high | 89.2 | Confident | 52 Ų | 52 | 105.8 Ų | 105.8 | 36% | 0.364 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.4 | -37.4 | 176.3 | -59.8 | 0 | 0 | 0 | 0 | 112.7 | A307 V308 Q309 K315 | A307-S311 WeakPolarHBondContact O-CB 3.45Å; A307-S311 PolarHBondContact O-N 3.37Å; A307-S311 PolarHBondContact O-OG 2.95Å; V308-S311 PolarHBondContact O-N 3.35Å; Q309-S311 VanDerWaalsContact C-N 3.32Å; Q309-S311 PolarHBondContact O-N 2.94Å; S311-K315 WeakPolarHBondContact O-CG 3.31Å; S311-K315 PolarHBondContact O-N 2.83Å; S311-K315 VanDerWaalsContact O-N 3.07Å |
| 312 | L | 91.3 | Very high | 87.5 | Confident | 92 Ų | 92 | 105.7 Ų | 105.7 | 48% | 0.482 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -70.3 | -36.9 | 174.6 | -72 | 170.6 | 0 | 0 | 0 | 111.8 | V308 Q309 V310 K316 | V308-L312 HydrophobicContact CG1-CD1 4.08Å; V308-L312 VanDerWaalsContact O-CG 3.31Å; V308-L312 WeakPolarHBondContact O-CG 3.39Å; V308-L312 PolarHBondContact O-N 2.76Å; Q309-L312 PolarHBondContact O-N 2.65Å; Q309-L312 VanDerWaalsContact O-N 3.17Å; V310-L312 VanDerWaalsContact C-N 3.34Å; V310-L312 PolarHBondContact O-N 3.23Å; L312-K316 WeakPolarHBondContact O-CB 3.27Å; L312-K316 VanDerWaalsContact O-CG 3.27Å; L312-K316 WeakPolarHBondContact O-CG 3.25Å; L312-K316 PolarHBondContact O-N 2.97Å |
| 313 | E | 90.9 | Very high | 85.8 | Confident | 102 Ų | 102 | 101.7 Ų | 101.7 | 48% | 0.477 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.6 | -43.7 | 172.2 | -83.4 | -161.2 | -155.9 | 0 | 0 | 112.9 | Q309 V310 K316 K317 | Q309-E313 PolarHBondContact O-N 3.17Å; V310-E313 PolarHBondContact O-N 3.41Å; E313-K316 PolarHBondContact O-N 3.45Å; E313-K317 WeakPolarHBondContact O-CB 3.43Å; E313-K317 VanDerWaalsContact O-CG 3.25Å; E313-K317 WeakPolarHBondContact O-CG 3.32Å; E313-K317 PolarHBondContact O-N 2.94Å; E313-K317 WeakPolarHBondContact OE2-CE 3.35Å; E313-K317 IonicContact OE2-NZ 3.48Å; E313-K317 PolarHBondContact OE2-NZ 3.07Å |
| 314 | Q | 89.6 | Confident | 83.8 | Confident | 110 Ų | 110 | 100.3 Ų | 100.3 | 51% | 0.514 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -58.9 | -48 | 175.6 | -75.5 | 173.5 | -13.5 | 0 | 0 | 110.5 | V310 K316 K317 E318 | V310-Q314 HydrophobicContact CG1-CG 4.49Å; V310-Q314 WeakPolarHBondContact O-CG 3.35Å; V310-Q314 PolarHBondContact O-N 3.03Å; Q314-K316 PolarHBondContact O-N 3.14Å; Q314-K317 PolarHBondContact O-N 3.49Å; Q314-K317 VanDerWaalsContact O-N 3.14Å; Q314-E318 PolarHBondContact O-N 2.86Å |
| 315 | K | 88.6 | Confident | 81.6 | Confident | 138 Ų | 138 | 98.7 Ų | 98.7 | 60% | 0.6 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -59.7 | -41.4 | 174.7 | -73.8 | 175.4 | 178.5 | -178.9 | 0 | 112.9 | S311 E318 V319 | S311-K315 WeakPolarHBondContact O-CG 3.31Å; S311-K315 PolarHBondContact O-N 2.83Å; S311-K315 VanDerWaalsContact O-N 3.07Å; K315-E318 PolarHBondContact O-N 3.4Å; K315-V319 VanDerWaalsContact O-CG2 3.32Å; K315-V319 WeakPolarHBondContact O-CG2 3.43Å; K315-V319 PolarHBondContact O-N 2.87Å |
| 316 | K | 87.4 | Confident | 79.7 | Confident | 153 Ų | 153 | 105.2 Ų | 105.2 | 67% | 0.665 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -63.4 | -40.6 | 174 | -75.5 | 170.4 | 179.7 | 179.4 | 0 | 112.3 | L312 E313 Q314 K320 | L312-K316 WeakPolarHBondContact O-CB 3.27Å; L312-K316 VanDerWaalsContact O-CG 3.27Å; L312-K316 WeakPolarHBondContact O-CG 3.25Å; L312-K316 PolarHBondContact O-N 2.97Å; E313-K316 PolarHBondContact O-N 3.45Å; Q314-K316 PolarHBondContact O-N 3.14Å; K316-K320 WeakPolarHBondContact O-CB 3.47Å; K316-K320 PolarHBondContact O-N 3.25Å |
| 317 | K | 86.9 | Confident | 78.9 | Confident | 121 Ų | 121 | 108 Ų | 108 | 53% | 0.526 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -67.4 | -43.9 | 177.4 | -70.9 | 163.3 | -169 | 168.2 | 0 | 111 | E313 Q314 K320 T321 | E313-K317 WeakPolarHBondContact O-CB 3.43Å; E313-K317 VanDerWaalsContact O-CG 3.25Å; E313-K317 WeakPolarHBondContact O-CG 3.32Å; E313-K317 PolarHBondContact O-N 2.94Å; E313-K317 WeakPolarHBondContact OE2-CE 3.35Å; E313-K317 IonicContact OE2-NZ 3.48Å; E313-K317 PolarHBondContact OE2-NZ 3.07Å; Q314-K317 PolarHBondContact O-N 3.49Å; Q314-K317 VanDerWaalsContact O-N 3.14Å; K317-K320 PolarHBondContact O-N 3.44Å; K317-T321 PolarHBondContact O-N 3.38Å; K317-T321 PolarHBondContact O-OG1 2.91Å |
| 318 | E | 79 | Confident | 78 | Confident | 94 Ų | 94 | 110.8 Ų | 110.8 | 44% | 0.439 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -61.3 | -43.8 | 173.4 | -83.3 | -170.4 | -127.2 | 0 | 0 | 113.5 | Q314 K315 K320 T321 K322 | Q314-E318 PolarHBondContact O-N 2.86Å; K315-E318 PolarHBondContact O-N 3.4Å; E318-K320 VanDerWaalsContact C-N 3.29Å; E318-K320 PolarHBondContact O-N 3.08Å; E318-T321 WeakPolarHBondContact CA-OG1 3.29Å; E318-T321 PolarHBondContact O-N 2.88Å; E318-T321 PolarHBondContact O-OG1 2.65Å; E318-T321 VanDerWaalsContact O-OG1 3.08Å; E318-K322 VanDerWaalsContact O-CB 3.29Å; E318-K322 WeakPolarHBondContact O-CB 3.38Å; E318-K322 WeakPolarHBondContact O-CD 3.4Å; E318-K322 VanDerWaalsContact O-CG 3.23Å; E318-K322 WeakPolarHBondContact O-CG 3.49Å; E318-K322 PolarHBondContact O-N 3.48Å; E318-K322 IonicContact OE2-NZ 2.67Å; E318-K322 PolarHBondContact OE2-NZ 3.34Å |
| 319 | V | 75.9 | Confident | 77.1 | Confident | 100 Ų | 100 | 113.7 Ų | 113.7 | 61% | 0.606 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -61.9 | -42.2 | 175.4 | 168.7 | 0 | 0 | 0 | 0 | 109.8 | K315 K322 S323 | K315-V319 VanDerWaalsContact O-CG2 3.32Å; K315-V319 WeakPolarHBondContact O-CG2 3.43Å; K315-V319 PolarHBondContact O-N 2.87Å; V319-K322 PolarHBondContact O-N 3.24Å; V319-S323 WeakPolarHBondContact O-CB 3.23Å; V319-S323 PolarHBondContact O-N 3.24Å; V319-S323 PolarHBondContact O-OG 2.9Å |
| 320 | K | 70.6 | Confident | 76.1 | Confident | 157 Ų | 157 | 112.5 Ų | 112.5 | 68% | 0.683 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -67.4 | -34.8 | 178 | -168.3 | 177.4 | -179.4 | -176.6 | 0 | 113.4 | K316 K317 E318 S323 S324 | K316-K320 WeakPolarHBondContact O-CB 3.47Å; K316-K320 PolarHBondContact O-N 3.25Å; K317-K320 PolarHBondContact O-N 3.44Å; E318-K320 VanDerWaalsContact C-N 3.29Å; E318-K320 PolarHBondContact O-N 3.08Å; K320-S323 PolarHBondContact O-OG 3.33Å; K320-S324 WeakPolarHBondContact O-CB 3.49Å; K320-S324 PolarHBondContact O-N 3.23Å |
| 321 | T | 66.1 | Low | 75 | Confident | 89 Ų | 89 | 114.6 Ų | 114.6 | 55% | 0.546 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -74.1 | -41 | 174.4 | 53.7 | 0 | 0 | 0 | 0 | 111.6 | K317 E318 S323 S324 S325 | K317-T321 PolarHBondContact O-N 3.38Å; K317-T321 PolarHBondContact O-OG1 2.91Å; E318-T321 WeakPolarHBondContact CA-OG1 3.29Å; E318-T321 PolarHBondContact O-N 2.88Å; E318-T321 PolarHBondContact O-OG1 2.65Å; E318-T321 VanDerWaalsContact O-OG1 3.08Å; T321-S323 PolarHBondContact O-N 2.95Å; T321-S324 CarbonylContact O-C 3.55Å; T321-S324 WeakPolarHBondContact O-CA 3.1Å; T321-S324 PolarHBondContact O-N 3.34Å; T321-S325 PolarHBondContact O-N 3.2Å |
| 322 | K | 61.3 | Low | 73.8 | Confident | 146 Ų | 146 | 118.8 Ų | 118.8 | 64% | 0.635 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -63.4 | -28.7 | 174.1 | -70.7 | 163.8 | -178.5 | 167.3 | 0 | 112.6 | E318 V319 S324 | E318-K322 VanDerWaalsContact O-CB 3.29Å; E318-K322 WeakPolarHBondContact O-CB 3.38Å; E318-K322 WeakPolarHBondContact O-CD 3.4Å; E318-K322 VanDerWaalsContact O-CG 3.23Å; E318-K322 WeakPolarHBondContact O-CG 3.49Å; E318-K322 PolarHBondContact O-N 3.48Å; E318-K322 IonicContact OE2-NZ 2.67Å; E318-K322 PolarHBondContact OE2-NZ 3.34Å; V319-K322 PolarHBondContact O-N 3.24Å; K322-S324 VanDerWaalsContact C-N 3.33Å |
| 323 | S | 59.2 | Low | 72.6 | Confident | 92 Ų | 92 | 120.7 Ų | 120.7 | 64% | 0.643 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.3 | 14.5 | 170.5 | 78.9 | 0 | 0 | 0 | 0 | 114.2 | V319 K320 T321 | V319-S323 WeakPolarHBondContact O-CB 3.23Å; V319-S323 PolarHBondContact O-N 3.24Å; V319-S323 PolarHBondContact O-OG 2.9Å; K320-S323 PolarHBondContact O-OG 3.33Å; T321-S323 PolarHBondContact O-N 2.95Å |
| 324 | S | 54.9 | Low | 71.2 | Confident | 93 Ų | 93 | 122.2 Ų | 122.2 | 65% | 0.65 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.9 | 2.6 | -177.2 | -174.2 | 0 | 0 | 0 | 0 | 113.6 | K320 T321 K322 | K320-S324 WeakPolarHBondContact O-CB 3.49Å; K320-S324 PolarHBondContact O-N 3.23Å; T321-S324 CarbonylContact O-C 3.55Å; T321-S324 WeakPolarHBondContact O-CA 3.1Å; T321-S324 PolarHBondContact O-N 3.34Å; K322-S324 VanDerWaalsContact C-N 3.33Å |
| 325 | S | 50.8 | Low | 69.6 | Low | 97 Ų | 97 | 123.2 Ų | 123.2 | 68% | 0.678 | 66% | 0.663 | S | S | * | * | trans | -83 | 127 | 160.1 | -81.8 | 0 | 0 | 0 | 0 | 109 | T321 | T321-S325 PolarHBondContact O-N 3.2Š| ||
| 326 | P | 54.8 | Low | 67.9 | Low | 198 Ų | 198 | 121.8 Ų | 121.8 | 100% | 1.286 | 67% | 0.669 | S | S | * | * | trans | -76 | 0 | 168.6 | 35 | -35.4 | 0 | 0 | 0 | 112.2 |
Retrieved 326 of 326 residues in 182.2 ms
(Link to these results)