| 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 | 49.8 | Very low | 43.2 | Very low | 241 Ų | 241 | 153.9 Ų | 153.9 | 100% | 1.187 | 87% | 0.867 | S | S | * | * | 0 | 87 | 0 | -81.6 | -78.4 | 162.8 | 0 | 0 | 108.4 | |||||
| 2 | S | 41.3 | Very low | 42.9 | Very low | 123 Ų | 123 | 146.8 Ų | 146.8 | 86% | 0.86 | 85% | 0.854 | S | S | * | * | trans | -155.1 | 134.5 | 163.5 | -62 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 3 | P | 51.8 | Low | 42.6 | Very low | 117 Ų | 117 | 149.5 Ų | 149.5 | 76% | 0.76 | 85% | 0.854 | S | S | * | * | trans | -104.2 | 168 | -175.8 | 37.7 | -30.6 | 0 | 0 | 0 | 113.9 | ||||
| 4 | S | 43.1 | Very low | 42.7 | Very low | 112 Ų | 112 | 147.1 Ų | 147.1 | 78% | 0.783 | 85% | 0.851 | S | S | * | * | trans | 69 | 113.7 | 152.3 | 39.8 | 0 | 0 | 0 | 0 | 120 | ||||
| 5 | L | 41.7 | Very low | 43.1 | Very low | 181 Ų | 181 | 150.3 Ų | 150.3 | 95% | 0.948 | 85% | 0.85 | S | S | * | * | trans | -142.5 | 134.1 | 131.9 | -97.8 | 171.6 | 0 | 0 | 0 | 109.3 | ||||
| 6 | Q | 49.8 | Very low | 43.3 | Very low | 189 Ų | 189 | 147.7 Ų | 147.7 | 88% | 0.883 | 84% | 0.841 | S | S | * | * | trans | -91.7 | 129.6 | -178.7 | -174.5 | 178.4 | 14.4 | 0 | 0 | 107.5 | ||||
| 7 | E | 41.3 | Very low | 44 | Very low | 191 Ų | 191 | 145.5 Ų | 145.5 | 89% | 0.893 | 84% | 0.838 | S | S | * | * | trans | -150.6 | 115 | 163.1 | -142.2 | 169.1 | 175.9 | 0 | 0 | 109.1 | ||||
| 8 | G | 39.6 | Very low | 44.5 | Very low | 62 Ų | 62 | 143.4 Ų | 143.4 | 64% | 0.639 | 83% | 0.828 | S | S | * | * | trans | -75.4 | 159.9 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 9 | S | 38.7 | Very low | 45.2 | Very low | 113 Ų | 113 | 141.9 Ų | 141.9 | 79% | 0.79 | 83% | 0.825 | S | S | * | * | trans | 174.3 | 115.8 | 140.1 | -78.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 10 | Q | 42.1 | Very low | 45.9 | Very low | 191 Ų | 191 | 137.9 Ų | 137.9 | 89% | 0.893 | 81% | 0.805 | S | S | * | * | trans | 58.1 | 99.3 | 140.9 | -55.2 | -144.4 | 59 | 0 | 0 | 119 | G12 | Q10-G12 PolarHBondContact O-N 3.36Š| ||
| 11 | L | 35.9 | Very low | 46.8 | Very low | 173 Ų | 173 | 139.8 Ų | 139.8 | 91% | 0.906 | 80% | 0.804 | S | S | * | * | trans | -65.1 | 91.1 | 159.6 | -171.1 | 74.2 | 0 | 0 | 0 | 109.4 | E13 | L11-E13 PolarHBondContact O-N 3.35Š| ||
| 12 | G | 39.7 | Very low | 48.1 | Very low | 69 Ų | 69 | 129.8 Ų | 129.8 | 71% | 0.711 | 76% | 0.758 | S | S | * | * | trans | -76.8 | 108.2 | 166.3 | 0 | 0 | 0 | 0 | 0 | 110 | Q10 S14 | Q10-G12 PolarHBondContact O-N 3.36Å; G12-S14 PolarHBondContact O-N 3.23Å; G12-S14 VanDerWaalsContact O-N 3.17Å | ||
| 13 | E | 38.6 | Very low | 49.8 | Very low | 182 Ų | 182 | 129.5 Ų | 129.5 | 85% | 0.85 | 75% | 0.745 | S | S | * | * | trans | -55.6 | 113.4 | 174.9 | -65.5 | 173.9 | 119.7 | 0 | 0 | 111 | L11 K15 | L11-E13 PolarHBondContact O-N 3.35Å; E13-K15 PolarHBondContact O-N 3.22Å | ||
| 14 | S | 44.3 | Very low | 51.1 | Low | 115 Ų | 115 | 129.4 Ų | 129.4 | 80% | 0.804 | 74% | 0.735 | S | S | * | * | trans | -79.6 | 105.1 | 167.6 | 43.9 | 0 | 0 | 0 | 0 | 108.8 | G12 | G12-S14 PolarHBondContact O-N 3.23Å; G12-S14 VanDerWaalsContact O-N 3.17Å | ||
| 15 | K | 49 | Very low | 52.7 | Low | 195 Ų | 195 | 130.5 Ų | 130.5 | 85% | 0.848 | 73% | 0.726 | S | S | * | * | trans | -55.9 | 126.5 | 170.1 | -75.4 | 173.8 | 174.2 | 172.5 | 0 | 110.1 | E13 S17 | E13-K15 PolarHBondContact O-N 3.22Å; K15-S17 PolarHBondContact O-N 3.31Å | ||
| 16 | P | 45.7 | Very low | 54.5 | Low | 109 Ų | 109 | 126.5 Ų | 126.5 | 71% | 0.708 | 70% | 0.704 | S | S | * | * | trans | -69.2 | 124 | 162.7 | 27.2 | -30 | 0 | 0 | 0 | 108.8 | T18 | P16-T18 VanDerWaalsContact C-N 3.26Å; P16-T18 PolarHBondContact O-N 3.48Å | ||
| 17 | S | 55.6 | Low | 55.9 | Low | 111 Ų | 111 | 122.9 Ų | 122.9 | 78% | 0.776 | 69% | 0.69 | S | S | * | * | trans | -69.9 | 85.6 | 169.7 | -170.6 | 0 | 0 | 0 | 0 | 108.9 | K15 C19 | K15-S17 PolarHBondContact O-N 3.31Å; S17-C19 PolarHBondContact O-N 3.33Å | ||
| 18 | T | 53.4 | Low | 57.4 | Low | 107 Ų | 107 | 115.9 Ų | 115.9 | 66% | 0.656 | 67% | 0.669 | S | S | * | * | trans | -79.6 | 75.4 | 174.7 | -45.9 | 0 | 0 | 0 | 0 | 109.1 | P16 S20 | P16-T18 VanDerWaalsContact C-N 3.26Å; P16-T18 PolarHBondContact O-N 3.48Å; T18-S20 PolarHBondContact O-N 3.39Å | ||
| 19 | C | 57.6 | Low | 59.1 | Low | 115 Ų | 115 | 119 Ų | 119 | 78% | 0.777 | 67% | 0.671 | S | S | * | * | trans | -73.3 | 73.6 | 161.2 | -73.9 | 0 | 0 | 0 | 0 | 108.7 | S17 F21 | S17-C19 PolarHBondContact O-N 3.33Å; C19-F21 PolarHBondContact O-N 2.73Å; C19-F21 VanDerWaalsContact O-N 3.15Å | ||
| 20 | S | 58.4 | Low | 60.6 | Low | 62 Ų | 62 | 119.6 Ų | 119.6 | 43% | 0.434 | 67% | 0.665 | S | S | . | * | trans | -74 | 101.6 | 170.7 | 172.5 | 0 | 0 | 0 | 0 | 108.8 | T18 S22 K25 | T18-S20 PolarHBondContact O-N 3.39Å; S20-S22 PolarHBondContact O-N 3.49Å; S20-S22 VanDerWaalsContact O-N 3.14Å; S20-K25 WeakPolarHBondContact O-CD 3.35Å | ||
| 21 | F | 64.7 | Low | 61.7 | Low | 177 Ų | 177 | 118.8 Ų | 118.8 | 78% | 0.776 | 66% | 0.661 | S | S | * | * | trans | -77.6 | 75.7 | 159.8 | -173.2 | -97.6 | 0 | 0 | 0 | 107.6 | C19 I26 | C19-F21 PolarHBondContact O-N 2.73Å; C19-F21 VanDerWaalsContact O-N 3.15Å; F21-I26 HydrophobicContact CD1-CD1 3.94Å; F21-I26 HydrophobicContact CD2-CD1 3.88Å; F21-I26 HydrophobicContact CD2-CG1 4.34Å; F21-I26 HydrophobicContact CE1-CD1 3.41Å; F21-I26 VanDerWaalsContact CE1-CD1 3.41Å; F21-I26 HydrophobicContact CE2-CD1 3.34Å; F21-I26 HydrophobicContact CE2-CG1 3.98Å; F21-I26 HydrophobicContact CG-CD1 4.18Å; F21-I26 HydrophobicContact CZ-CD1 3.1Å; F21-I26 HydrophobicContact CZ-CG1 4.21Å | ||
| 22 | S | 78.1 | Confident | 62.8 | Low | 32 Ų | 32 | 119.8 Ų | 119.8 | 22% | 0.224 | 66% | 0.658 | C | S | . | * | trans | -84.7 | 138.3 | 168.9 | -179.5 | 0 | 0 | 0 | 0 | 109.1 | S20 E24 K25 I26 | S20-S22 PolarHBondContact O-N 3.49Å; S20-S22 VanDerWaalsContact O-N 3.14Å; S22-E24 PolarHBondContact O-N 3.39Å; S22-E24 PolarHBondContact OG-N 3.26Å; S22-E24 PolarHBondContact OG-OE2 3.42Å; S22-K25 WeakPolarHBondContact O-CA 3.3Å; S22-K25 VanDerWaalsContact O-CB 3.3Å; S22-K25 WeakPolarHBondContact O-CB 3.38Å; S22-K25 PolarHBondContact O-N 3.2Å; S22-I26 PolarHBondContact O-N 3.15Å | ||
| 23 | I | 76.6 | Confident | 63.5 | Low | 116 Ų | 116 | 125.6 Ų | 125.6 | 60% | 0.595 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -54.9 | -34.1 | 172.6 | -62 | -179.8 | 0 | 0 | 0 | 110 | K25 I26 L27 | I23-K25 VanDerWaalsContact C-N 3.28Å; I23-K25 PolarHBondContact O-N 2.99Å; I23-I26 PolarHBondContact O-N 2.69Å; I23-L27 HydrophobicContact CG2-CD1 3.56Å; I23-L27 HydrophobicContact CG2-CG 3.95Å; I23-L27 WeakPolarHBondContact O-CB 3.32Å; I23-L27 VanDerWaalsContact O-CG 3.25Å; I23-L27 WeakPolarHBondContact O-CG 3.44Å; I23-L27 PolarHBondContact O-N 2.75Å |
| 24 | E | 80.4 | Confident | 63.7 | Low | 116 Ų | 116 | 124.4 Ų | 124.4 | 54% | 0.542 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -63.5 | -34.6 | 176.8 | -60.7 | 151.9 | 162.1 | 0 | 0 | 112.1 | S22 G28 L29 | S22-E24 PolarHBondContact O-N 3.39Å; S22-E24 PolarHBondContact OG-N 3.26Å; S22-E24 PolarHBondContact OG-OE2 3.42Å; E24-G28 CarbonylContact O-C 3.46Å; E24-G28 PolarHBondContact O-N 3.14Å; E24-L29 HydrophobicContact CB-CB 4.39Å; E24-L29 PolarHBondContact O-N 3.27Å |
| 25 | K | 75.1 | Confident | 63.9 | Low | 135 Ų | 135 | 125.4 Ų | 125.4 | 59% | 0.587 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -72.7 | -33.3 | 177.4 | -158.9 | 175.2 | -170.6 | 173 | 0 | 111.9 | S20 S22 I23 | S20-K25 WeakPolarHBondContact O-CD 3.35Å; S22-K25 WeakPolarHBondContact O-CA 3.3Å; S22-K25 VanDerWaalsContact O-CB 3.3Å; S22-K25 WeakPolarHBondContact O-CB 3.38Å; S22-K25 PolarHBondContact O-N 3.2Å; I23-K25 VanDerWaalsContact C-N 3.28Å; I23-K25 PolarHBondContact O-N 2.99Å |
| 26 | I | 79.8 | Confident | 63.9 | Low | 97 Ų | 97 | 122 Ų | 122 | 50% | 0.497 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -74.6 | -40.9 | 175.7 | -57.6 | 164 | 0 | 0 | 0 | 110.6 | F21 S22 I23 G28 | F21-I26 HydrophobicContact CD1-CD1 3.94Å; F21-I26 HydrophobicContact CD2-CD1 3.88Å; F21-I26 HydrophobicContact CD2-CG1 4.34Å; F21-I26 HydrophobicContact CE1-CD1 3.41Å; F21-I26 VanDerWaalsContact CE1-CD1 3.41Å; F21-I26 HydrophobicContact CE2-CD1 3.34Å; F21-I26 HydrophobicContact CE2-CG1 3.98Å; F21-I26 HydrophobicContact CG-CD1 4.18Å; F21-I26 HydrophobicContact CZ-CD1 3.1Å; F21-I26 HydrophobicContact CZ-CG1 4.21Å; S22-I26 PolarHBondContact O-N 3.15Å; I23-I26 PolarHBondContact O-N 2.69Å; I26-G28 VanDerWaalsContact C-N 3.25Å; I26-G28 PolarHBondContact O-N 3.45Å |
| 27 | L | 79.1 | Confident | 64 | Low | 112 Ų | 112 | 122.6 Ų | 122.6 | 59% | 0.586 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.5 | -5.2 | 178.5 | -63.2 | -179.3 | 0 | 0 | 0 | 112.9 | I23 L29 | I23-L27 HydrophobicContact CG2-CD1 3.56Å; I23-L27 HydrophobicContact CG2-CG 3.95Å; I23-L27 WeakPolarHBondContact O-CB 3.32Å; I23-L27 VanDerWaalsContact O-CG 3.25Å; I23-L27 WeakPolarHBondContact O-CG 3.44Å; I23-L27 PolarHBondContact O-N 2.75Å; L27-L29 VanDerWaalsContact C-N 3.29Å; L27-L29 HydrophobicContact CB-CD1 4.05Å; L27-L29 HydrophobicContact CB-CG 3.94Å; L27-L29 HydrophobicContact CD1-CD1 4.24Å; L27-L29 PolarHBondContact O-N 3.22Å |
| 28 | G | 72.8 | Confident | 63.8 | Low | 44 Ų | 44 | 124.9 Ų | 124.9 | 45% | 0.454 | 67% | 0.671 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 69.2 | 23.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | E24 I26 D30 | E24-G28 CarbonylContact O-C 3.46Å; E24-G28 PolarHBondContact O-N 3.14Å; I26-G28 VanDerWaalsContact C-N 3.25Å; I26-G28 PolarHBondContact O-N 3.45Å; G28-D30 VanDerWaalsContact C-N 3.33Å |
| 29 | L | 75.1 | Confident | 63.7 | Low | 128 Ų | 128 | 131.1 Ų | 131.1 | 67% | 0.67 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.3 | -8.3 | -176.4 | -62.1 | 176.5 | 0 | 0 | 0 | 113.7 | E24 L27 Q31 | E24-L29 HydrophobicContact CB-CB 4.39Å; E24-L29 PolarHBondContact O-N 3.27Å; L27-L29 VanDerWaalsContact C-N 3.29Å; L27-L29 HydrophobicContact CB-CD1 4.05Å; L27-L29 HydrophobicContact CB-CG 3.94Å; L27-L29 HydrophobicContact CD1-CD1 4.24Å; L27-L29 PolarHBondContact O-N 3.22Å; L29-Q31 VanDerWaalsContact C-N 3.26Å; L29-Q31 PolarHBondContact O-N 3.41Å |
| 30 | D | 70.6 | Confident | 63.8 | Low | 125 Ų | 125 | 134.4 Ų | 134.4 | 67% | 0.668 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | 3.7 | -177.3 | -170.3 | 47 | 0 | 0 | 0 | 114.5 | G28 K32 | G28-D30 VanDerWaalsContact C-N 3.33Å; D30-K32 PolarHBondContact O-N 2.94Å |
| 31 | Q | 65.7 | Low | 63.7 | Low | 174 Ų | 174 | 135.8 Ų | 135.8 | 81% | 0.813 | 69% | 0.691 | S | S | * | * | trans | -94.1 | 106.3 | -173.2 | -62.8 | -162 | 102 | 0 | 0 | 112.6 | L29 K33 | L29-Q31 VanDerWaalsContact C-N 3.26Å; L29-Q31 PolarHBondContact O-N 3.41Å; Q31-K33 PolarHBondContact O-N 2.88Å | ||
| 32 | K | 58.7 | Low | 63.4 | Low | 194 Ų | 194 | 134.3 Ų | 134.3 | 84% | 0.843 | 69% | 0.686 | S | S | * | * | trans | -58.9 | 104.5 | 161.8 | -66.4 | 179.3 | -179.3 | 176.2 | 0 | 108.8 | D30 D34 | D30-K32 PolarHBondContact O-N 2.94Å; K32-D34 PolarHBondContact O-N 3.22Å; K32-D34 VanDerWaalsContact O-N 3.12Å | ||
| 33 | K | 54.1 | Low | 63.1 | Low | 192 Ų | 192 | 139.3 Ų | 139.3 | 84% | 0.835 | 70% | 0.7 | S | S | * | * | trans | 4.2 | 89.6 | 151.1 | 35.9 | 176.7 | 167.4 | 177.9 | 0 | 115.6 | Q31 | Q31-K33 PolarHBondContact O-N 2.88Š| ||
| 34 | D | 43.5 | Very low | 62.6 | Low | 157 Ų | 157 | 137.9 Ų | 137.9 | 84% | 0.84 | 70% | 0.698 | S | S | * | * | trans | -124.8 | 121 | 140.2 | -78 | -48.3 | 0 | 0 | 0 | 107.8 | K32 V36 | K32-D34 PolarHBondContact O-N 3.22Å; K32-D34 VanDerWaalsContact O-N 3.12Å; D34-V36 PolarHBondContact O-N 3.45Å | ||
| 35 | C | 47.4 | Very low | 61.8 | Low | 136 Ų | 136 | 142.1 Ų | 142.1 | 92% | 0.919 | 71% | 0.71 | S | S | * | * | trans | -65.3 | 112.2 | -170.4 | -77.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 36 | V | 49.9 | Very low | 61.2 | Low | 124 Ų | 124 | 138.3 Ų | 138.3 | 75% | 0.752 | 70% | 0.703 | S | S | * | * | trans | -130.1 | 131.5 | 157 | -177.9 | 0 | 0 | 0 | 0 | 107.8 | D34 L38 | D34-V36 PolarHBondContact O-N 3.45Å; V36-L38 PolarHBondContact O-N 3.26Å; V36-L38 VanDerWaalsContact O-N 3.09Å | ||
| 37 | P | 47.8 | Very low | 60 | Low | 121 Ų | 121 | 139.6 Ų | 139.6 | 79% | 0.786 | 71% | 0.711 | S | S | * | * | trans | -64.2 | 115.5 | -176.7 | -18.8 | 30.9 | 0 | 0 | 0 | 111.5 | R39 | P37-R39 PolarHBondContact O-N 3.47Š| ||
| 38 | L | 50.6 | Low | 58.9 | Low | 159 Ų | 159 | 140 Ų | 140 | 83% | 0.832 | 72% | 0.719 | S | S | * | * | trans | -61.9 | 112.7 | 177.5 | -176.1 | 65.7 | 0 | 0 | 0 | 110.5 | V36 K40 | V36-L38 PolarHBondContact O-N 3.26Å; V36-L38 VanDerWaalsContact O-N 3.09Å; L38-K40 PolarHBondContact O-N 3.11Å | ||
| 39 | R | 52.2 | Low | 57.8 | Low | 237 Ų | 237 | 143.8 Ų | 143.8 | 89% | 0.894 | 74% | 0.736 | S | S | * | * | trans | -65.8 | 102.8 | 169.6 | -74.6 | -89.5 | 167.6 | 174.9 | -6.1 | 108.5 | P37 | P37-R39 PolarHBondContact O-N 3.47Š| ||
| 40 | K | 59.7 | Low | 56.4 | Low | 184 Ų | 184 | 143.6 Ų | 143.6 | 80% | 0.8 | 75% | 0.746 | S | S | * | * | trans | -56.7 | 133.3 | 173.7 | -85.9 | 179.8 | 174.4 | -179.3 | 0 | 110.1 | L38 H42 | L38-K40 PolarHBondContact O-N 3.11Å; K40-H42 PolarHBondContact O-N 2.89Å | ||
| 41 | P | 55.7 | Low | 54.9 | Low | 91 Ų | 91 | 147 Ų | 147 | 59% | 0.591 | 76% | 0.755 | S | S | * | * | trans | -61.1 | 122.4 | 169.8 | -15 | 27.1 | 0 | 0 | 0 | 108.9 | R43 | P41-R43 PolarHBondContact O-N 3.05Å; P41-R43 VanDerWaalsContact O-N 3.11Å | ||
| 42 | H | 57.9 | Low | 53.7 | Low | 147 Ų | 147 | 144.5 Ų | 144.5 | 68% | 0.681 | 76% | 0.757 | S | S | * | * | trans | -62.6 | 115.6 | 175.3 | -175 | 56.3 | 0 | 0 | 0 | 109.2 | K40 | K40-H42 PolarHBondContact O-N 2.89Š| ||
| 43 | R | 72.4 | Confident | 52.9 | Low | 136 Ų | 136 | 138.3 Ų | 138.3 | 51% | 0.513 | 75% | 0.748 | S | S | . | * | trans | -125 | 79.6 | 178.5 | -69.8 | -81.6 | -171.1 | -95.7 | -0.6 | 106.9 | P41 W45 A46 | P41-R43 PolarHBondContact O-N 3.05Å; P41-R43 VanDerWaalsContact O-N 3.11Å; R43-W45 PolarHBondContact O-N 2.75Å; R43-A46 HydrophobicContact CB-CB 3.93Å; R43-A46 PolarHBondContact O-N 3.33Å | ||
| 44 | P | 65.8 | Low | 51.9 | Low | 86 Ų | 86 | 138.2 Ų | 138.2 | 56% | 0.558 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.7 | -15 | -170.6 | 18.3 | -29.1 | 0 | 0 | 0 | 114.6 | ||
| 45 | W | 64.1 | Low | 51.8 | Low | 206 Ų | 206 | 138.7 Ų | 138.7 | 78% | 0.78 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.4 | -5 | 175.9 | 60.4 | -89.3 | 0 | 0 | 0 | 114.6 | R43 | R43-W45 PolarHBondContact O-N 2.75Š|
| 46 | A | 63.4 | Low | 51.3 | Low | 55 Ų | 55 | 135 Ų | 135 | 46% | 0.455 | 74% | 0.736 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -107.9 | -9.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | R43 T48 | R43-A46 HydrophobicContact CB-CB 3.93Å; R43-A46 PolarHBondContact O-N 3.33Å; A46-T48 PolarHBondContact O-N 3.34Å |
| 47 | D | 53.6 | Low | 51.3 | Low | 123 Ų | 123 | 136.8 Ų | 136.8 | 66% | 0.658 | 74% | 0.741 | S | S | * | * | trans | -86.6 | 6.3 | -170.2 | -71.5 | -36.2 | 0 | 0 | 0 | 115.1 | C49 | D47-C49 PolarHBondContact O-N 3.25Š| ||
| 48 | T | 56.1 | Low | 50.8 | Low | 122 Ų | 122 | 138.6 Ų | 138.6 | 75% | 0.748 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -98.4 | 63.5 | 174 | 59 | 0 | 0 | 0 | 0 | 111.2 | A46 | A46-T48 PolarHBondContact O-N 3.34Š|
| 49 | C | 49.7 | Very low | 50.5 | Low | 122 Ų | 122 | 136.3 Ų | 136.3 | 82% | 0.824 | 74% | 0.739 | S | S | * | * | trans | -179.2 | 74 | 160.7 | -97.6 | 0 | 0 | 0 | 0 | 110.4 | D47 | D47-C49 PolarHBondContact O-N 3.25Š| ||
| 50 | S | 46.2 | Very low | 49.9 | Very low | 125 Ų | 125 | 132.9 Ų | 132.9 | 87% | 0.874 | 74% | 0.738 | S | S | * | * | trans | -163 | 80.5 | 156.8 | -78.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 51 | F | 38.1 | Very low | 49.1 | Very low | 196 Ų | 196 | 132 Ų | 132 | 86% | 0.86 | 74% | 0.736 | S | S | * | * | trans | -124.5 | 93.9 | 157.3 | -154.2 | -95.8 | 0 | 0 | 0 | 107.5 | ||||
| 52 | S | 40.2 | Very low | 48.5 | Very low | 121 Ų | 121 | 132.6 Ų | 132.6 | 85% | 0.846 | 74% | 0.738 | S | S | * | * | trans | -78.4 | 131.5 | 167.1 | 174.8 | 0 | 0 | 0 | 0 | 108 | ||||
| 53 | G | 42 | Very low | 47.7 | Very low | 65 Ų | 65 | 130.7 Ų | 130.7 | 67% | 0.67 | 74% | 0.738 | S | S | * | * | trans | -65.9 | 152.4 | -160.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 54 | K | 34.1 | Very low | 46 | Very low | 189 Ų | 189 | 131.1 Ų | 131.1 | 82% | 0.822 | 75% | 0.751 | S | S | * | * | trans | -157.1 | 132.8 | 144.4 | -144 | 163.2 | -176.4 | 174.5 | 0 | 109.2 | ||||
| 55 | D | 42.2 | Very low | 45.1 | Very low | 167 Ų | 167 | 132 Ų | 132 | 89% | 0.893 | 76% | 0.756 | S | S | * | * | trans | -62.5 | 134.9 | -173.5 | -41.6 | -58 | 0 | 0 | 0 | 110.8 | ||||
| 56 | G | 35.5 | Very low | 43.9 | Very low | 59 Ų | 59 | 128.7 Ų | 128.7 | 61% | 0.608 | 76% | 0.762 | S | S | * | * | trans | 161.7 | 100.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | L58 | G56-L58 PolarHBondContact O-N 3.49Š| ||
| 57 | N | 49.8 | Very low | 42.9 | Very low | 161 Ų | 161 | 129.1 Ų | 129.1 | 86% | 0.861 | 77% | 0.771 | S | S | * | * | trans | -50.9 | 100.5 | 172.7 | -150.3 | 15.3 | 0 | 0 | 0 | 109.8 | ||||
| 58 | L | 38.3 | Very low | 42.7 | Very low | 159 Ų | 159 | 127.2 Ų | 127.2 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | trans | -131.8 | 86.5 | 173.1 | -76.1 | 170.7 | 0 | 0 | 0 | 107.6 | G56 L60 | G56-L58 PolarHBondContact O-N 3.49Å; L58-L60 PolarHBondContact O-N 2.89Å | ||
| 59 | C | 43.1 | Very low | 42.1 | Very low | 111 Ų | 111 | 128.5 Ų | 128.5 | 75% | 0.75 | 78% | 0.782 | S | S | * | * | trans | -44.4 | 127.5 | 160.4 | -62 | 0 | 0 | 0 | 0 | 108.7 | H61 | C59-H61 PolarHBondContact O-N 3.39Š| ||
| 60 | L | 40.8 | Very low | 41.7 | Very low | 166 Ų | 166 | 128.2 Ų | 128.2 | 87% | 0.869 | 78% | 0.781 | S | S | * | * | trans | -48.7 | 110.3 | 173.1 | -71 | 163 | 0 | 0 | 0 | 108.9 | L58 V62 | L58-L60 PolarHBondContact O-N 2.89Å; L60-V62 VanDerWaalsContact C-N 3.26Å; L60-V62 PolarHBondContact O-N 3.18Å | ||
| 61 | H | 41.9 | Very low | 41.1 | Very low | 166 Ų | 166 | 132 Ų | 132 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | trans | -70.4 | 88 | 173.8 | -175 | -76.3 | 0 | 0 | 0 | 108.3 | C59 | C59-H61 PolarHBondContact O-N 3.39Š| ||
| 62 | V | 44.4 | Very low | 41.3 | Very low | 103 Ų | 103 | 128.2 Ų | 128.2 | 62% | 0.624 | 78% | 0.777 | S | S | * | * | trans | -62.3 | 130.1 | 161.7 | 180 | 0 | 0 | 0 | 0 | 106.9 | L60 N64 | L60-V62 VanDerWaalsContact C-N 3.26Å; L60-V62 PolarHBondContact O-N 3.18Å; V62-N64 PolarHBondContact O-N 3.35Å | ||
| 63 | P | 40.2 | Very low | 41.2 | Very low | 106 Ų | 106 | 127.5 Ų | 127.5 | 69% | 0.688 | 77% | 0.772 | S | S | * | * | trans | -63.1 | 110.9 | 172.7 | -12.1 | 26 | 0 | 0 | 0 | 107.9 | P65 | P63-P65 WeakPolarHBondContact O-CD 3.39Š| ||
| 64 | N | 37.6 | Very low | 41.4 | Very low | 145 Ų | 145 | 132.6 Ų | 132.6 | 78% | 0.775 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 126.3 | 173.4 | -85.2 | -42.1 | 0 | 0 | 0 | 109.3 | V62 | V62-N64 PolarHBondContact O-N 3.35Š|
| 65 | P | 45.7 | Very low | 41.7 | Very low | 104 Ų | 104 | 129.8 Ų | 129.8 | 68% | 0.675 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 145.9 | 163.6 | 29.2 | -29.8 | 0 | 0 | 0 | 109.5 | P63 G67 | P63-P65 WeakPolarHBondContact O-CD 3.39Å; P65-G67 PolarHBondContact O-N 2.68Å |
| 66 | P | 39.1 | Very low | 41.9 | Very low | 138 Ų | 138 | 128.8 Ų | 128.8 | 90% | 0.896 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -76.9 | 119.2 | 179.2 | 30.9 | -29.7 | 0 | 0 | 0 | 109.2 | ||
| 67 | G | 42.6 | Very low | 42.3 | Very low | 63 Ų | 63 | 134.1 Ų | 134.1 | 65% | 0.649 | 78% | 0.782 | S | S | * | * | S | Bend | trans | 132.1 | 106.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | P65 I69 | P65-G67 PolarHBondContact O-N 2.68Å; G67-I69 PolarHBondContact O-N 3.27Å |
| 68 | G | 49.8 | Very low | 42.2 | Very low | 84 Ų | 84 | 132.1 Ų | 132.1 | 87% | 0.866 | 78% | 0.778 | S | S | * | * | trans | -58.3 | 124.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 69 | I | 43.4 | Very low | 42 | Very low | 149 Ų | 149 | 130.1 Ų | 130.1 | 76% | 0.764 | 77% | 0.766 | S | S | * | * | trans | -138.6 | 112.3 | 160.2 | -50.8 | 177.1 | 0 | 0 | 0 | 105.9 | G67 F71 | G67-I69 PolarHBondContact O-N 3.27Å; I69-F71 PolarHBondContact O-N 2.9Å | ||
| 70 | S | 40.1 | Very low | 42 | Very low | 115 Ų | 115 | 129.2 Ų | 129.2 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 124.9 | 169.9 | -62.5 | 0 | 0 | 0 | 0 | 108.9 | P72 | S70-P72 VanDerWaalsContact O-CD 3.3Å; S70-P72 WeakPolarHBondContact O-CD 3.3Å |
| 71 | F | 34 | Very low | 42.4 | Very low | 204 Ų | 204 | 130.2 Ų | 130.2 | 90% | 0.895 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 122.8 | 175.9 | -74.3 | -85.3 | 0 | 0 | 0 | 110.5 | I69 | I69-F71 PolarHBondContact O-N 2.9Š|
| 72 | P | 43 | Very low | 42.5 | Very low | 118 Ų | 118 | 130.1 Ų | 130.1 | 77% | 0.766 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 139.6 | 163.2 | -8.3 | 26.6 | 0 | 0 | 0 | 109.6 | S70 | S70-P72 VanDerWaalsContact O-CD 3.3Å; S70-P72 WeakPolarHBondContact O-CD 3.3Å |
| 73 | S | 37.1 | Very low | 42.7 | Very low | 106 Ų | 106 | 133.2 Ų | 133.2 | 74% | 0.741 | 76% | 0.76 | S | S | * | * | trans | -38.1 | 144.1 | 175.4 | -173.8 | 0 | 0 | 0 | 0 | 114.6 | V75 | S73-V75 PolarHBondContact O-N 3.47Š| ||
| 74 | M | 47.2 | Very low | 42.9 | Very low | 172 Ų | 172 | 131.1 Ų | 131.1 | 85% | 0.847 | 75% | 0.751 | S | S | * | * | trans | -48.4 | 126.8 | 168 | -78.4 | -175.2 | 69.9 | 0 | 0 | 110.5 | ||||
| 75 | V | 40.1 | Very low | 43.4 | Very low | 129 Ų | 129 | 128.4 Ų | 128.4 | 78% | 0.782 | 74% | 0.743 | S | S | * | * | trans | -130.5 | 124.2 | 160 | -141 | 0 | 0 | 0 | 0 | 107 | S73 H77 | S73-V75 PolarHBondContact O-N 3.47Å; V75-H77 PolarHBondContact O-N 3.44Å | ||
| 76 | D | 46.5 | Very low | 43.7 | Very low | 146 Ų | 146 | 131.6 Ų | 131.6 | 78% | 0.781 | 75% | 0.747 | S | S | * | * | trans | -56.3 | 111.2 | 179.1 | -73.1 | -68.9 | 0 | 0 | 0 | 111.8 | ||||
| 77 | H | 42.8 | Very low | 44.3 | Very low | 171 Ų | 171 | 132 Ų | 132 | 79% | 0.792 | 73% | 0.731 | S | S | * | * | trans | -139.9 | 139.1 | 156.4 | -88.3 | -54.7 | 0 | 0 | 0 | 110.7 | V75 M79 | V75-H77 PolarHBondContact O-N 3.44Å; H77-M79 PolarHBondContact O-N 2.8Å | ||
| 78 | P | 48 | Very low | 44.9 | Very low | 120 Ų | 120 | 133 Ų | 133 | 78% | 0.779 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 122.1 | 179.7 | 11.2 | -5.8 | 0 | 0 | 0 | 109.1 | P80 | P78-P80 WeakPolarHBondContact O-CD 3.47Š|
| 79 | M | 34.2 | Very low | 45.5 | Very low | 116 Ų | 116 | 135.6 Ų | 135.6 | 57% | 0.571 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 121.9 | -173.4 | -151.2 | -87.7 | -99.8 | 0 | 0 | 110.1 | H77 E81 R83 | H77-M79 PolarHBondContact O-N 2.8Å; M79-E81 PolarHBondContact O-N 2.69Å; M79-R83 HydrophobicContact CE-CB 3.41Å; M79-R83 VanDerWaalsContact CE-CB 3.41Å; M79-R83 HydrophobicContact CE-CG 4.14Å; M79-R83 HydrophobicContact SD-CB 3.35Å; M79-R83 WeakPolarHBondContact SD-CB 3.47Å; M79-R83 HydrophobicContact SD-CG 4.3Å |
| 80 | P | 44.2 | Very low | 46.2 | Very low | 93 Ų | 93 | 137.3 Ų | 137.3 | 60% | 0.604 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -65 | 134.5 | 175.3 | -17.6 | 30.7 | 0 | 0 | 0 | 110 | P78 E82 R83 | P78-P80 WeakPolarHBondContact O-CD 3.47Å; P80-E82 PolarHBondContact O-N 3.24Å; P80-R83 PolarHBondContact O-N 2.81Å |
| 81 | E | 48.7 | Very low | 47.2 | Very low | 187 Ų | 187 | 136.9 Ų | 136.9 | 87% | 0.874 | 70% | 0.695 | S | S | * | * | G | 310 helix | trans | -44.5 | -11.6 | 178.5 | -161.9 | 169.2 | -175.1 | 0 | 0 | 115.5 | M79 | M79-E81 PolarHBondContact O-N 2.69Š|
| 82 | E | 44.4 | Very low | 49.2 | Very low | 164 Ų | 164 | 130.1 Ų | 130.1 | 77% | 0.766 | 67% | 0.673 | S | S | * | * | G | 310 helix | trans | -76.7 | -22.2 | -176.1 | -154.7 | 171.4 | -170.6 | 0 | 0 | 114.9 | P80 A84 | P80-E82 PolarHBondContact O-N 3.24Å; E82-A84 VanDerWaalsContact C-N 3.35Å |
| 83 | R | 47 | Very low | 50.5 | Low | 168 Ų | 168 | 127.7 Ų | 127.7 | 63% | 0.634 | 66% | 0.663 | S | S | * | * | G | 310 helix | trans | -79.7 | -15.9 | 179.4 | -148 | -173.4 | -156.2 | 135.9 | 4.3 | 113.6 | M79 P80 S85 | M79-R83 HydrophobicContact CE-CB 3.41Å; M79-R83 VanDerWaalsContact CE-CB 3.41Å; M79-R83 HydrophobicContact CE-CG 4.14Å; M79-R83 HydrophobicContact SD-CB 3.35Å; M79-R83 WeakPolarHBondContact SD-CB 3.47Å; M79-R83 HydrophobicContact SD-CG 4.3Å; P80-R83 PolarHBondContact O-N 2.81Å; R83-S85 VanDerWaalsContact C-N 3.29Å; R83-S85 PolarHBondContact O-N 3.29Å |
| 84 | A | 46.3 | Very low | 52.2 | Low | 62 Ų | 62 | 126.3 Ų | 126.3 | 51% | 0.512 | 65% | 0.654 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -67.1 | -32.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | E82 K86 Y87 | E82-A84 VanDerWaalsContact C-N 3.35Å; A84-K86 VanDerWaalsContact C-N 3.27Å; A84-K86 PolarHBondContact O-N 3.46Å; A84-Y87 PolarHBondContact O-N 2.87Å |
| 85 | S | 47.6 | Very low | 53.3 | Low | 87 Ų | 87 | 122.5 Ų | 122.5 | 61% | 0.608 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -66 | -24 | -179.2 | -66.7 | 0 | 0 | 0 | 0 | 114.2 | R83 Y87 | R83-S85 VanDerWaalsContact C-N 3.29Å; R83-S85 PolarHBondContact O-N 3.29Å; S85-Y87 VanDerWaalsContact C-N 3.29Å; S85-Y87 PolarHBondContact O-N 2.95Å |
| 86 | K | 51.2 | Low | 54.8 | Low | 171 Ų | 171 | 120.5 Ų | 120.5 | 74% | 0.743 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -75.4 | -19.1 | -176.6 | -140.8 | 174.6 | -173 | 178.6 | 0 | 113.1 | A84 | A84-K86 VanDerWaalsContact C-N 3.27Å; A84-K86 PolarHBondContact O-N 3.46Å |
| 87 | Y | 51.1 | Low | 55.8 | Low | 148 Ų | 148 | 118.6 Ų | 118.6 | 58% | 0.58 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -103.9 | -10.4 | -178.2 | -69.9 | -81.6 | 0 | 0 | 0 | 114.5 | A84 S85 N89 Y90 | A84-Y87 PolarHBondContact O-N 2.87Å; S85-Y87 VanDerWaalsContact C-N 3.29Å; S85-Y87 PolarHBondContact O-N 2.95Å; Y87-N89 PolarHBondContact O-N 3.4Å; Y87-Y90 HydrophobicContact CD1-CD2 4.33Å; Y87-Y90 PolarHBondContact O-N 3.15Å |
| 88 | E | 55.8 | Low | 57.1 | Low | 82 Ų | 82 | 113.1 Ų | 113.1 | 38% | 0.383 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -58.6 | -36.6 | 174.3 | -72.8 | -67.2 | 149.6 | 0 | 0 | 111 | Y90 F91 R96 | E88-Y90 PolarHBondContact O-N 3.03Å; E88-Y90 VanDerWaalsContact O-N 3.14Å; E88-F91 PolarHBondContact O-N 2.92Å; E88-R96 PolarHBondContact O-NE 2.95Å; E88-R96 PolarHBondContact O-NH2 3.47Å; E88-R96 WeakPolarHBondContact OE2-CD 3.49Å; E88-R96 IonicContact OE2-NE 2.7Å |
| 89 | N | 61.8 | Low | 58 | Low | 139 Ų | 139 | 111.3 Ų | 111.3 | 74% | 0.743 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.4 | -11.9 | -179.6 | -91.8 | -21.7 | 0 | 0 | 0 | 116 | Y87 | Y87-N89 PolarHBondContact O-N 3.4Š|
| 90 | Y | 59.9 | Low | 59.4 | Low | 186 Ų | 186 | 113.3 Ų | 113.3 | 73% | 0.729 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.5 | -11.5 | 177.7 | -73.8 | -84.7 | 0 | 0 | 0 | 113.9 | Y87 E88 | Y87-Y90 HydrophobicContact CD1-CD2 4.33Å; Y87-Y90 PolarHBondContact O-N 3.15Å; E88-Y90 PolarHBondContact O-N 3.03Å; E88-Y90 VanDerWaalsContact O-N 3.14Å |
| 91 | F | 60.4 | Low | 60.4 | Low | 105 Ų | 105 | 117.1 Ų | 117.1 | 46% | 0.461 | 57% | 0.573 | S | S | . | * | S | Bend | trans | -97.6 | 133.4 | 178.2 | -76.4 | -78.7 | 0 | 0 | 0 | 110.9 | E88 E95 R96 | E88-F91 PolarHBondContact O-N 2.92Å; F91-E95 WeakPolarHBondContact CA-OE2 3.35Å; F91-E95 HydrophobicContact CB-CB 3.93Å; F91-E95 HydrophobicContact CD1-CB 3.6Å; F91-E95 HydrophobicContact CD1-CG 4.17Å; F91-E95 WeakPolarHBondContact CD1-OE2 3.25Å; F91-E95 HydrophobicContact CG-CB 4.21Å; F91-R96 HydrophobicContact CB-CG 4Å; F91-R96 PolarHBondContact O-NE 2.91Å; F91-R96 PolarHBondContact O-NH2 2.96Å; F91-R96 VanDerWaalsContact O-NH2 3.15Å |
| 92 | S | 76.2 | Confident | 61.3 | Low | 62 Ų | 62 | 113.3 Ų | 113.3 | 43% | 0.434 | 56% | 0.555 | S | S | . | * | trans | -52.9 | 152 | 169.1 | 169.7 | 0 | 0 | 0 | 0 | 110.3 | S94 E95 R96 | S92-S94 PolarHBondContact O-N 3.03Å; S92-S94 PolarHBondContact OG-N 3.42Å; S92-S94 PolarHBondContact OG-OG 3.46Å; S92-E95 WeakPolarHBondContact CB-OE2 3.38Å; S92-E95 PolarHBondContact N-OE2 3.48Å; S92-E95 PolarHBondContact O-N 3.06Å; S92-R96 PolarHBondContact O-N 2.68Å; S92-R96 VanDerWaalsContact O-N 3.11Å | ||
| 93 | A | 70.9 | Confident | 62.2 | Low | 67 Ų | 67 | 109.2 Ų | 109.2 | 55% | 0.554 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -52.2 | -31.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L97 | A93-L97 WeakPolarHBondContact O-CB 3.32Å; A93-L97 WeakPolarHBondContact O-CD1 3.32Å; A93-L97 VanDerWaalsContact O-CG 3.25Å; A93-L97 WeakPolarHBondContact O-CG 3.28Å; A93-L97 PolarHBondContact O-N 3.38Å |
| 94 | S | 70.9 | Confident | 62.9 | Low | 78 Ų | 78 | 104.4 Ų | 104.4 | 55% | 0.545 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -70.6 | -35.5 | 175.7 | 70.4 | 0 | 0 | 0 | 0 | 113.1 | S92 L97 S98 | S92-S94 PolarHBondContact O-N 3.03Å; S92-S94 PolarHBondContact OG-N 3.42Å; S92-S94 PolarHBondContact OG-OG 3.46Å; S94-L97 PolarHBondContact O-N 2.92Å; S94-S98 WeakPolarHBondContact O-CB 3.45Å; S94-S98 PolarHBondContact O-N 3.42Å |
| 95 | E | 71.1 | Confident | 63.6 | Low | 91 Ų | 91 | 106.7 Ų | 106.7 | 43% | 0.425 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -74 | -39.7 | -178.6 | -69 | 168.8 | 139.9 | 0 | 0 | 111.2 | F91 S92 L97 S98 L99 | F91-E95 WeakPolarHBondContact CA-OE2 3.35Å; F91-E95 HydrophobicContact CB-CB 3.93Å; F91-E95 HydrophobicContact CD1-CB 3.6Å; F91-E95 HydrophobicContact CD1-CG 4.17Å; F91-E95 WeakPolarHBondContact CD1-OE2 3.25Å; F91-E95 HydrophobicContact CG-CB 4.21Å; S92-E95 WeakPolarHBondContact CB-OE2 3.38Å; S92-E95 PolarHBondContact N-OE2 3.48Å; S92-E95 PolarHBondContact O-N 3.06Å; E95-L97 VanDerWaalsContact C-N 3.33Å; E95-L97 PolarHBondContact O-N 2.96Å; E95-S98 WeakPolarHBondContact O-CB 3.49Å; E95-S98 PolarHBondContact O-N 3.16Å; E95-L99 WeakPolarHBondContact O-CB 3.35Å; E95-L99 PolarHBondContact O-N 3.26Å |
| 96 | R | 71.1 | Confident | 64.3 | Low | 88 Ų | 88 | 109.6 Ų | 109.6 | 33% | 0.332 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.9 | -41.2 | 171.7 | -63.3 | -172.4 | -162.2 | 131.8 | 8.7 | 112.2 | E88 F91 S92 S98 K100 | E88-R96 PolarHBondContact O-NE 2.95Å; E88-R96 PolarHBondContact O-NH2 3.47Å; E88-R96 WeakPolarHBondContact OE2-CD 3.49Å; E88-R96 IonicContact OE2-NE 2.7Å; F91-R96 HydrophobicContact CB-CG 4Å; F91-R96 PolarHBondContact O-NE 2.91Å; F91-R96 PolarHBondContact O-NH2 2.96Å; F91-R96 VanDerWaalsContact O-NH2 3.15Å; S92-R96 PolarHBondContact O-N 2.68Å; S92-R96 VanDerWaalsContact O-N 3.11Å; R96-S98 VanDerWaalsContact C-N 3.34Å; R96-K100 VanDerWaalsContact O-CB 3.3Å; R96-K100 WeakPolarHBondContact O-CB 3.42Å; R96-K100 PolarHBondContact O-N 3.02Å |
| 97 | L | 67.6 | Low | 64.8 | Low | 105 Ų | 105 | 111.7 Ų | 111.7 | 55% | 0.55 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -67.1 | -36.3 | 176.2 | -74.5 | 167.5 | 0 | 0 | 0 | 111.8 | A93 S94 E95 R101 | A93-L97 WeakPolarHBondContact O-CB 3.32Å; A93-L97 WeakPolarHBondContact O-CD1 3.32Å; A93-L97 VanDerWaalsContact O-CG 3.25Å; A93-L97 WeakPolarHBondContact O-CG 3.28Å; A93-L97 PolarHBondContact O-N 3.38Å; S94-L97 PolarHBondContact O-N 2.92Å; E95-L97 VanDerWaalsContact C-N 3.33Å; E95-L97 PolarHBondContact O-N 2.96Å; L97-R101 WeakPolarHBondContact O-CB 3.38Å; L97-R101 PolarHBondContact O-N 2.95Å |
| 98 | S | 71.7 | Confident | 65.5 | Low | 57 Ų | 57 | 107.9 Ų | 107.9 | 40% | 0.399 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.1 | -49.5 | 174.9 | -166.9 | 0 | 0 | 0 | 0 | 111.2 | S94 E95 R96 K100 R101 E102 | S94-S98 WeakPolarHBondContact O-CB 3.45Å; S94-S98 PolarHBondContact O-N 3.42Å; E95-S98 WeakPolarHBondContact O-CB 3.49Å; E95-S98 PolarHBondContact O-N 3.16Å; R96-S98 VanDerWaalsContact C-N 3.34Å; S98-K100 VanDerWaalsContact C-N 3.34Å; S98-K100 PolarHBondContact O-N 3.4Å; S98-R101 WeakPolarHBondContact O-CB 3.42Å; S98-R101 PolarHBondContact O-N 2.98Å; S98-R101 VanDerWaalsContact O-N 3.15Å; S98-E102 WeakPolarHBondContact O-CB 3.44Å; S98-E102 PolarHBondContact O-N 3.39Å |
| 99 | L | 65.1 | Low | 66.4 | Low | 82 Ų | 82 | 112.4 Ų | 112.4 | 43% | 0.429 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62.6 | -40.1 | 178.4 | -169.5 | 70.6 | 0 | 0 | 0 | 111.7 | E95 R101 E102 L103 | E95-L99 WeakPolarHBondContact O-CB 3.35Å; E95-L99 PolarHBondContact O-N 3.26Å; L99-R101 VanDerWaalsContact C-N 3.34Å; L99-R101 PolarHBondContact O-N 3.35Å; L99-E102 CarbonylContact O-C 3.59Å; L99-E102 PolarHBondContact O-N 2.87Å; L99-L103 HydrophobicContact CG-CD1 4.08Å; L99-L103 WeakPolarHBondContact O-CB 3.43Å; L99-L103 VanDerWaalsContact O-CG 3.32Å; L99-L103 WeakPolarHBondContact O-CG 3.21Å; L99-L103 PolarHBondContact O-N 2.84Å |
| 100 | K | 64.8 | Low | 67.1 | Low | 157 Ų | 157 | 113.1 Ų | 113.1 | 68% | 0.683 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63.3 | -39.9 | 174.9 | -171.2 | 176.1 | -179.9 | 179.1 | 0 | 112 | R96 S98 L103 S104 | R96-K100 VanDerWaalsContact O-CB 3.3Å; R96-K100 WeakPolarHBondContact O-CB 3.42Å; R96-K100 PolarHBondContact O-N 3.02Å; S98-K100 VanDerWaalsContact C-N 3.34Å; S98-K100 PolarHBondContact O-N 3.4Å; K100-L103 PolarHBondContact O-N 2.99Å; K100-S104 VanDerWaalsContact O-CB 3.28Å; K100-S104 WeakPolarHBondContact O-CB 3.35Å; K100-S104 PolarHBondContact O-N 3Å |
| 101 | R | 65.9 | Low | 68 | Low | 174 Ų | 174 | 109.1 Ų | 109.1 | 66% | 0.657 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -66.2 | -41.2 | 174.3 | -166.6 | -176.6 | -58.7 | 139.4 | 2.9 | 111 | L97 S98 L99 L103 S104 | L97-R101 WeakPolarHBondContact O-CB 3.38Å; L97-R101 PolarHBondContact O-N 2.95Å; S98-R101 WeakPolarHBondContact O-CB 3.42Å; S98-R101 PolarHBondContact O-N 2.98Å; S98-R101 VanDerWaalsContact O-N 3.15Å; L99-R101 VanDerWaalsContact C-N 3.34Å; L99-R101 PolarHBondContact O-N 3.35Å; R101-L103 VanDerWaalsContact C-N 3.32Å; R101-L103 PolarHBondContact O-N 3.46Å; R101-S104 PolarHBondContact O-N 3.27Å; R101-S104 PolarHBondContact O-OG 3.19Å |
| 102 | E | 65.9 | Low | 69.3 | Low | 106 Ų | 106 | 115.9 Ų | 115.9 | 50% | 0.495 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -71.5 | -22.3 | 177.6 | -165.4 | 152.6 | -120.9 | 0 | 0 | 113.4 | S98 L99 W105 Y106 | S98-E102 WeakPolarHBondContact O-CB 3.44Å; S98-E102 PolarHBondContact O-N 3.39Å; L99-E102 CarbonylContact O-C 3.59Å; L99-E102 PolarHBondContact O-N 2.87Å; E102-W105 PolarHBondContact O-NE1 3.3Å; E102-Y106 WeakPolarHBondContact O-CD2 3.26Å |
| 103 | L | 64.4 | Low | 69.9 | Low | 79 Ų | 79 | 114.8 Ų | 114.8 | 41% | 0.414 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -90.6 | -26 | 170.6 | -66.9 | 170.7 | 0 | 0 | 0 | 111.5 | L99 K100 R101 W105 Y106 R107 | L99-L103 HydrophobicContact CG-CD1 4.08Å; L99-L103 WeakPolarHBondContact O-CB 3.43Å; L99-L103 VanDerWaalsContact O-CG 3.32Å; L99-L103 WeakPolarHBondContact O-CG 3.21Å; L99-L103 PolarHBondContact O-N 2.84Å; K100-L103 PolarHBondContact O-N 2.99Å; R101-L103 VanDerWaalsContact C-N 3.32Å; R101-L103 PolarHBondContact O-N 3.46Å; L103-W105 VanDerWaalsContact C-N 3.31Å; L103-W105 PolarHBondContact O-N 3.42Å; L103-Y106 PolarHBondContact O-N 2.89Å; L103-R107 VanDerWaalsContact O-CB 3.32Å; L103-R107 WeakPolarHBondContact O-CB 3.37Å; L103-R107 PolarHBondContact O-N 3.39Å |
| 104 | S | 61.3 | Low | 71 | Confident | 67 Ų | 67 | 116 Ų | 116 | 47% | 0.469 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -63.5 | -33.2 | -179.1 | 73.8 | 0 | 0 | 0 | 0 | 113.5 | K100 R101 Y106 R107 G108 | K100-S104 VanDerWaalsContact O-CB 3.28Å; K100-S104 WeakPolarHBondContact O-CB 3.35Å; K100-S104 PolarHBondContact O-N 3Å; R101-S104 PolarHBondContact O-N 3.27Å; R101-S104 PolarHBondContact O-OG 3.19Å; S104-Y106 PolarHBondContact O-N 2.9Å; S104-R107 PolarHBondContact O-N 2.97Å; S104-G108 PolarHBondContact O-N 3.41Å |
| 105 | W | 61.8 | Low | 72.2 | Confident | 110 Ų | 110 | 114.8 Ų | 114.8 | 42% | 0.417 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -71.1 | -22.8 | 178.5 | 72.7 | -97 | 0 | 0 | 0 | 113.5 | E102 L103 R109 | E102-W105 PolarHBondContact O-NE1 3.3Å; L103-W105 VanDerWaalsContact C-N 3.31Å; L103-W105 PolarHBondContact O-N 3.42Å; W105-R109 PolarHBondContact O-NE 2.7Å |
| 106 | Y | 61.2 | Low | 73.5 | Confident | 147 Ų | 147 | 114.3 Ų | 114.3 | 58% | 0.576 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -89 | -36.9 | 172.6 | -71.6 | -71.2 | 0 | 0 | 0 | 112.3 | E102 L103 S104 G108 | E102-Y106 WeakPolarHBondContact O-CD2 3.26Å; L103-Y106 PolarHBondContact O-N 2.89Å; S104-Y106 PolarHBondContact O-N 2.9Å; Y106-G108 VanDerWaalsContact C-N 3.32Å; Y106-G108 PolarHBondContact O-N 2.88Å |
| 107 | R | 62.8 | Low | 74.7 | Confident | 215 Ų | 215 | 115.9 Ų | 115.9 | 81% | 0.811 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -76.3 | -12.3 | -170.2 | -152.2 | -165.1 | -81.6 | -122.6 | 4.6 | 114.6 | L103 S104 | L103-R107 VanDerWaalsContact O-CB 3.32Å; L103-R107 WeakPolarHBondContact O-CB 3.37Å; L103-R107 PolarHBondContact O-N 3.39Å; S104-R107 PolarHBondContact O-N 2.97Å |
| 108 | G | 64.8 | Low | 76.1 | Confident | 68 Ų | 68 | 115.8 Ų | 115.8 | 70% | 0.701 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.4 | -0.4 | -174.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | S104 Y106 | S104-G108 PolarHBondContact O-N 3.41Å; Y106-G108 VanDerWaalsContact C-N 3.32Å; Y106-G108 PolarHBondContact O-N 2.88Å |
| 109 | R | 73.9 | Confident | 77.4 | Confident | 178 Ų | 178 | 114.5 Ų | 114.5 | 67% | 0.672 | 55% | 0.547 | S | S | * | . | P | Polyproline II helix | trans | -87 | 123.5 | -178.1 | -66.5 | -176.4 | -156.8 | -119.4 | 4.6 | 110 | W105 | W105-R109 PolarHBondContact O-NE 2.7Š|
| 110 | R | 77.1 | Confident | 79 | Confident | 153 Ų | 153 | 113 Ų | 113 | 58% | 0.577 | 54% | 0.539 | S | S | * | . | P | Polyproline II helix | trans | -55.2 | 140 | 167.7 | -69.6 | -174.4 | 177.6 | 144.3 | -0.4 | 109.1 | D150 | R110-D150 IonicContact CZ-OD2 2.65Å; R110-D150 IonicContact NH1-OD1 3.72Å; R110-D150 PolarHBondContact NH1-OD1 2.86Å; R110-D150 IonicContact NH1-OD2 3.61Å; R110-D150 PolarHBondContact NH1-OD2 3.37Å |
| 111 | P | 79.8 | Confident | 80.6 | Confident | 103 Ų | 103 | 110.2 Ų | 110.2 | 67% | 0.669 | 53% | 0.528 | S | S | * | . | P | Polyproline II helix | trans | -56.6 | 147.1 | 178.1 | 22.6 | -32.5 | 0 | 0 | 0 | 110.6 | T113 R151 | P111-T113 PolarHBondContact O-N 3.37Å; P111-R151 PolarHBondContact O-NH1 3.16Å; P111-R151 PolarHBondContact O-NH2 3Å |
| 112 | R | 86.3 | Confident | 82.1 | Confident | 246 Ų | 246 | 104.3 Ų | 104.3 | 93% | 0.928 | 51% | 0.512 | S | S | * | . | P | Polyproline II helix | trans | -70.3 | 125.1 | -178.9 | -172.7 | -179.9 | 179.4 | 99.4 | -1.2 | 109.5 | ||
| 113 | T | 89.4 | Confident | 83.6 | Confident | 40 Ų | 40 | 99.3 Ų | 99.3 | 25% | 0.245 | 49% | 0.488 | C | S | . | . | P | Polyproline II helix | trans | -82.8 | 129.5 | 171.7 | -52.5 | 0 | 0 | 0 | 0 | 109.5 | P111 F115 L147 R151 | P111-T113 PolarHBondContact O-N 3.37Å; T113-F115 HydrophobicContact CG2-CD1 4.2Å; T113-F115 HydrophobicContact CG2-CE1 3.87Å; T113-F115 HydrophobicContact CG2-CZ 4.15Å; T113-L147 HydrophobicContact CG2-CD2 4.25Å; T113-R151 WeakPolarHBondContact OG1-CD 3.17Å; T113-R151 PolarHBondContact OG1-NE 3.21Å; T113-R151 PolarHBondContact OG1-NH1 2.98Å; T113-R151 VanDerWaalsContact OG1-NH1 3.16Å |
| 114 | A | 93.7 | Very high | 85.2 | Confident | 92 Ų | 92 | 98.6 Ų | 98.6 | 76% | 0.76 | 48% | 0.482 | S | S | * | . | P | Polyproline II helix | trans | -97.6 | 127 | 164.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||
| 115 | F | 96.4 | Very high | 87 | Confident | 53 Ų | 53 | 99.5 Ų | 99.5 | 23% | 0.232 | 48% | 0.482 | C | S | . | . | P | Polyproline II helix | trans | -91.6 | 142 | 177.1 | -57.6 | -75.1 | 0 | 0 | 0 | 109.6 | T113 Q119 I120 L147 R151 W155 | T113-F115 HydrophobicContact CG2-CD1 4.2Å; T113-F115 HydrophobicContact CG2-CE1 3.87Å; T113-F115 HydrophobicContact CG2-CZ 4.15Å; F115-Q119 HydrophobicContact CB-CB 4.38Å; F115-I120 HydrophobicContact CB-CD1 4.23Å; F115-I120 HydrophobicContact CB-CG1 3.79Å; F115-L147 HydrophobicContact CD1-CD1 3.77Å; F115-L147 HydrophobicContact CD1-CD2 4.36Å; F115-L147 HydrophobicContact CE1-CD1 3.73Å; F115-L147 HydrophobicContact CE1-CD2 4.25Å; F115-R151 HydrophobicContact CE1-CB 4.36Å; F115-R151 HydrophobicContact CZ-CB 4.34Å; F115-W155 AromaticContact CD2-CD1 3.76Å; F115-W155 HydrophobicContact CE2-CB 4.39Å; F115-W155 AromaticContact CE2-CD1 3.56Å; F115-W155 HydrophobicContact CE2-CG 4.37Å; F115-W155 HydrophobicContact CZ-CB 4.22Å |
| 116 | T | 98 | Very high | 88.7 | Confident | 80 Ų | 80 | 95.9 Ų | 95.9 | 49% | 0.491 | 47% | 0.472 | S | S | . | . | P | Polyproline II helix | trans | -72.6 | 161.3 | 170.5 | 69.5 | 0 | 0 | 0 | 0 | 110.4 | N118 Q119 I120 | T116-N118 VanDerWaalsContact C-N 3.34Å; T116-N118 PolarHBondContact O-N 3.43Å; T116-Q119 WeakPolarHBondContact O-CB 3.29Å; T116-Q119 PolarHBondContact O-N 3.17Å; T116-Q119 VanDerWaalsContact OG1-CG 3.29Å; T116-Q119 WeakPolarHBondContact OG1-CG 3.35Å; T116-Q119 PolarHBondContact OG1-N 2.89Å; T116-Q119 PolarHBondContact OG1-OE1 2.9Å; T116-I120 WeakPolarHBondContact O-CG1 3.49Å; T116-I120 PolarHBondContact O-N 3.38Å |
| 117 | Q | 97.2 | Very high | 90.5 | Very high | 121 Ų | 121 | 89.7 Ų | 89.7 | 57% | 0.565 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -58.1 | -45.5 | 178.9 | -177.9 | 58.2 | 24.2 | 0 | 0 | 112 | Q119 I120 E121 | Q117-Q119 VanDerWaalsContact C-N 3.33Å; Q117-Q119 PolarHBondContact O-N 3.37Å; Q117-I120 WeakPolarHBondContact O-CB 3.3Å; Q117-I120 PolarHBondContact O-N 2.93Å; Q117-I120 VanDerWaalsContact O-N 3.13Å; Q117-E121 WeakPolarHBondContact CG-OE1 3.35Å; Q117-E121 PolarHBondContact NE2-OE1 3.5Å; Q117-E121 WeakPolarHBondContact O-CG 3.43Å; Q117-E121 PolarHBondContact O-N 3.39Å |
| 118 | N | 97.8 | Very high | 92.1 | Very high | 104 Ų | 104 | 87.6 Ų | 87.6 | 56% | 0.556 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -59.1 | -40.9 | 176.2 | -179.4 | 62.1 | 0 | 0 | 0 | 112.6 | T116 I120 E121 V122 | T116-N118 VanDerWaalsContact C-N 3.34Å; T116-N118 PolarHBondContact O-N 3.43Å; N118-I120 VanDerWaalsContact C-N 3.35Å; N118-I120 PolarHBondContact O-N 3.11Å; N118-E121 PolarHBondContact O-N 3.22Å; N118-V122 WeakPolarHBondContact O-CG2 3.28Å; N118-V122 PolarHBondContact O-N 2.65Å |
| 119 | Q | 97.8 | Very high | 93.7 | Very high | 29 Ų | 29 | 90.5 Ų | 90.5 | 14% | 0.136 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -63 | -42.9 | 175.8 | -72.6 | 170.4 | -27 | 0 | 0 | 111.4 | F115 T116 Q117 L123 L145 L147 | F115-Q119 HydrophobicContact CB-CB 4.38Å; T116-Q119 WeakPolarHBondContact O-CB 3.29Å; T116-Q119 PolarHBondContact O-N 3.17Å; T116-Q119 VanDerWaalsContact OG1-CG 3.29Å; T116-Q119 WeakPolarHBondContact OG1-CG 3.35Å; T116-Q119 PolarHBondContact OG1-N 2.89Å; T116-Q119 PolarHBondContact OG1-OE1 2.9Å; Q117-Q119 VanDerWaalsContact C-N 3.33Å; Q117-Q119 PolarHBondContact O-N 3.37Å; Q119-L123 WeakPolarHBondContact O-CB 3.36Å; Q119-L123 WeakPolarHBondContact O-CD1 3.46Å; Q119-L123 WeakPolarHBondContact O-CG 3.28Å; Q119-L123 PolarHBondContact O-N 3.18Å; Q119-L123 VanDerWaalsContact O-N 3.11Å; Q119-L145 HydrophobicContact CG-CB 4.3Å; Q119-L145 HydrophobicContact CG-CD2 4.19Å; Q119-L145 PolarHBondContact NE2-O 2.88Å; Q119-L147 HydrophobicContact CG-CD1 4.5Å |
| 120 | I | 98.1 | Very high | 94.7 | Very high | 50 Ų | 50 | 84.7 Ų | 84.7 | 26% | 0.256 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -61.8 | -45.1 | 177.6 | -65.4 | 167 | 0 | 0 | 0 | 110.4 | F115 T116 Q117 N118 V122 L123 E124 | F115-I120 HydrophobicContact CB-CD1 4.23Å; F115-I120 HydrophobicContact CB-CG1 3.79Å; T116-I120 WeakPolarHBondContact O-CG1 3.49Å; T116-I120 PolarHBondContact O-N 3.38Å; Q117-I120 WeakPolarHBondContact O-CB 3.3Å; Q117-I120 PolarHBondContact O-N 2.93Å; Q117-I120 VanDerWaalsContact O-N 3.13Å; N118-I120 VanDerWaalsContact C-N 3.35Å; N118-I120 PolarHBondContact O-N 3.11Å; I120-V122 PolarHBondContact O-N 3.4Å; I120-L123 PolarHBondContact O-N 3.13Å; I120-E124 HydrophobicContact CG2-CG 4.1Å; I120-E124 WeakPolarHBondContact O-CB 3.31Å; I120-E124 WeakPolarHBondContact O-CG 3.5Å; I120-E124 PolarHBondContact O-N 3.11Å |
| 121 | E | 98.2 | Very high | 95.7 | Very high | 100 Ų | 100 | 79.5 Ų | 79.5 | 47% | 0.467 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -60.4 | -44.7 | -178.7 | -74.8 | 170.7 | -166.8 | 0 | 0 | 112.7 | Q117 N118 E124 N125 | Q117-E121 WeakPolarHBondContact CG-OE1 3.35Å; Q117-E121 PolarHBondContact NE2-OE1 3.5Å; Q117-E121 WeakPolarHBondContact O-CG 3.43Å; Q117-E121 PolarHBondContact O-N 3.39Å; N118-E121 PolarHBondContact O-N 3.22Å; E121-E124 PolarHBondContact O-N 3.4Å; E121-N125 WeakPolarHBondContact O-CB 3.33Å; E121-N125 PolarHBondContact O-N 3.42Å |
| 122 | V | 98.1 | Very high | 96.5 | Very high | 50 Ų | 50 | 82.4 Ų | 82.4 | 30% | 0.303 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -61.8 | -45.5 | 175.5 | 175 | 0 | 0 | 0 | 0 | 110.8 | N118 I120 E124 N125 V126 L141 L145 | N118-V122 WeakPolarHBondContact O-CG2 3.28Å; N118-V122 PolarHBondContact O-N 2.65Å; I120-V122 PolarHBondContact O-N 3.4Å; V122-E124 PolarHBondContact O-N 2.95Å; V122-N125 PolarHBondContact O-N 3Å; V122-V126 PolarHBondContact O-N 3.42Å; V122-V126 VanDerWaalsContact O-N 3.1Å; V122-L141 HydrophobicContact CG1-CD2 3.88Å; V122-L145 HydrophobicContact CB-CD2 4.06Å; V122-L145 HydrophobicContact CG1-CD1 4.35Å; V122-L145 HydrophobicContact CG1-CD2 4.09Å; V122-L145 HydrophobicContact CG2-CD2 4.2Å |
| 123 | L | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -63.5 | -40.5 | 178.7 | -68.7 | 168.2 | 0 | 0 | 0 | 112.1 | Q119 I120 V126 F127 L141 L145 I152 W155 F156 | Q119-L123 WeakPolarHBondContact O-CB 3.36Å; Q119-L123 WeakPolarHBondContact O-CD1 3.46Å; Q119-L123 WeakPolarHBondContact O-CG 3.28Å; Q119-L123 PolarHBondContact O-N 3.18Å; Q119-L123 VanDerWaalsContact O-N 3.11Å; I120-L123 PolarHBondContact O-N 3.13Å; L123-V126 PolarHBondContact O-N 2.97Å; L123-F127 WeakPolarHBondContact O-CB 3.49Å; L123-F127 PolarHBondContact O-N 3.04Å; L123-L141 HydrophobicContact CD2-CD1 4.22Å; L123-L145 HydrophobicContact CD1-CD1 4.29Å; L123-L145 HydrophobicContact CD2-CD1 3.88Å; L123-L145 HydrophobicContact CG-CD1 3.81Å; L123-I152 HydrophobicContact CD2-CD1 4.05Å; L123-I152 HydrophobicContact CD2-CG2 4.08Å; L123-W155 HydrophobicContact CB-CD2 4.05Å; L123-W155 HydrophobicContact CB-CE3 3.92Å; L123-W155 HydrophobicContact CB-CH2 3.56Å; L123-W155 HydrophobicContact CB-CZ2 3.65Å; L123-W155 HydrophobicContact CB-CZ3 3.69Å; L123-W155 HydrophobicContact CD1-CD2 3.84Å; L123-W155 HydrophobicContact CD1-CE3 4.36Å; L123-W155 HydrophobicContact CD1-CG 3.92Å; L123-W155 HydrophobicContact CD1-CZ2 4.49Å; L123-W155 HydrophobicContact CD2-CE3 4.46Å; L123-W155 HydrophobicContact CG-CD2 4.42Å; L123-W155 HydrophobicContact CG-CE3 4.48Å; L123-F156 HydrophobicContact CD2-CE2 3.81Å; L123-F156 HydrophobicContact CD2-CZ 4.48Å |
| 124 | E | 98.3 | Very high | 97.5 | Very high | 64 Ų | 64 | 70.7 Ų | 70.7 | 30% | 0.299 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -67 | -36.9 | 175.1 | -71.6 | -151.1 | 136.9 | 0 | 0 | 112.3 | I120 E121 V122 F127 R128 W155 R159 | I120-E124 HydrophobicContact CG2-CG 4.1Å; I120-E124 WeakPolarHBondContact O-CB 3.31Å; I120-E124 WeakPolarHBondContact O-CG 3.5Å; I120-E124 PolarHBondContact O-N 3.11Å; E121-E124 PolarHBondContact O-N 3.4Å; V122-E124 PolarHBondContact O-N 2.95Å; E124-F127 WeakPolarHBondContact O-CB 3.42Å; E124-F127 PolarHBondContact O-N 3.2Å; E124-R128 WeakPolarHBondContact O-CG 3.35Å; E124-R128 PolarHBondContact O-N 2.79Å; E124-W155 HydrophobicContact CG-CH2 3.9Å; E124-W155 HydrophobicContact CG-CZ2 3.92Å; E124-R159 IonicContact OE1-CZ 3.88Å; E124-R159 IonicContact OE1-NE 3.24Å; E124-R159 PolarHBondContact OE1-NE 3.34Å; E124-R159 VanDerWaalsContact OE1-NE 3.16Å; E124-R159 IonicContact OE1-NH2 2.88Å; E124-R159 PolarHBondContact OE1-NH2 2.95Å |
| 125 | N | 97.9 | Very high | 97.7 | Very high | 87 Ų | 87 | 69.9 Ų | 69.9 | 47% | 0.465 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -61.9 | -44.8 | 175.7 | -167.6 | 57.2 | 0 | 0 | 0 | 111.8 | E121 V122 F127 R128 | E121-N125 WeakPolarHBondContact O-CB 3.33Å; E121-N125 PolarHBondContact O-N 3.42Å; V122-N125 PolarHBondContact O-N 3Å; N125-F127 VanDerWaalsContact C-N 3.35Å; N125-R128 PolarHBondContact O-N 3.27Å; N125-R128 PolarHBondContact OD1-NH2 3.3Å |
| 126 | V | 97.8 | Very high | 97.8 | Very high | 34 Ų | 34 | 73.1 Ų | 73.1 | 21% | 0.206 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -65.2 | -41 | 174.2 | 176.8 | 0 | 0 | 0 | 0 | 111.1 | V122 L123 R128 V129 N130 I137 L141 F156 | V122-V126 PolarHBondContact O-N 3.42Å; V122-V126 VanDerWaalsContact O-N 3.1Å; L123-V126 PolarHBondContact O-N 2.97Å; V126-R128 VanDerWaalsContact C-N 3.28Å; V126-R128 PolarHBondContact O-N 3.14Å; V126-V129 PolarHBondContact O-N 3.4Å; V126-N130 PolarHBondContact O-N 2.9Å; V126-I137 HydrophobicContact CG1-CG2 4.25Å; V126-L141 HydrophobicContact CB-CD1 4.42Å; V126-L141 HydrophobicContact CG1-CD1 4.22Å; V126-L141 HydrophobicContact CG2-CD1 4.23Å; V126-L141 HydrophobicContact CG2-CD2 4.03Å; V126-F156 HydrophobicContact CB-CZ 4.23Å; V126-F156 HydrophobicContact CG1-CE1 4.47Å; V126-F156 HydrophobicContact CG1-CZ 3.98Å |
| 127 | F | 98.1 | Very high | 97.8 | Very high | 17 Ų | 17 | 72.8 Ų | 72.8 | 8% | 0.075 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -59.5 | -36.4 | 179.4 | -172.8 | -93.4 | 0 | 0 | 0 | 113.3 | L123 E124 N125 V129 N130 C131 W155 F156 R159 R160 L163 | L123-F127 WeakPolarHBondContact O-CB 3.49Å; L123-F127 PolarHBondContact O-N 3.04Å; E124-F127 WeakPolarHBondContact O-CB 3.42Å; E124-F127 PolarHBondContact O-N 3.2Å; N125-F127 VanDerWaalsContact C-N 3.35Å; F127-V129 VanDerWaalsContact C-N 3.26Å; F127-V129 PolarHBondContact O-N 3.04Å; F127-N130 CarbonylContact O-C 3.59Å; F127-C131 HydrophobicContact CD2-CB 4.41Å; F127-C131 VanDerWaalsContact CE1-SG 3.59Å; F127-C131 HydrophobicContact CE2-CB 3.91Å; F127-C131 HydrophobicContact CZ-CB 4.07Å; F127-C131 WeakPolarHBondContact CZ-SG 3.5Å; F127-C131 PolarHBondContact O-SG 3.38Å; F127-C131 VanDerWaalsContact O-SG 3.37Å; F127-W155 HydrophobicContact CB-CH2 4.39Å; F127-W155 HydrophobicContact CB-CZ3 4.27Å; F127-W155 HydrophobicContact CD2-CZ3 4.38Å; F127-F156 HydrophobicContact CB-CE1 4.01Å; F127-F156 AromaticContact CD2-CD1 3.72Å; F127-F156 HydrophobicContact CD2-CD1 3.72Å; F127-F156 AromaticContact CD2-CE1 3.83Å; F127-F156 HydrophobicContact CD2-CE1 3.83Å; F127-F156 HydrophobicContact CE2-CD1 4.44Å; F127-F156 HydrophobicContact CG-CE1 4.44Å; F127-R159 HydrophobicContact CD1-CG 4.13Å; F127-R159 HydrophobicContact CD2-CB 4.25Å; F127-R159 HydrophobicContact CD2-CG 3.79Å; F127-R159 HydrophobicContact CE1-CG 4.04Å; F127-R159 HydrophobicContact CE2-CB 4.02Å; F127-R159 HydrophobicContact CE2-CG 3.7Å; F127-R159 HydrophobicContact CG-CG 4.02Å; F127-R159 HydrophobicContact CZ-CB 4.47Å; F127-R159 HydrophobicContact CZ-CG 3.83Å; F127-R160 HydrophobicContact CE2-CG 3.77Å; F127-R160 HydrophobicContact CZ-CG 4.11Å; F127-L163 HydrophobicContact CE1-CD2 4.47Å; F127-L163 HydrophobicContact CZ-CD2 4.29Å |
| 128 | R | 97.4 | Very high | 97.8 | Very high | 171 Ų | 171 | 69.1 Ų | 69.1 | 65% | 0.645 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -61 | -34.9 | 175.3 | -74 | -173.2 | -68.7 | -106.8 | 8.1 | 112.6 | E124 N125 V126 | E124-R128 WeakPolarHBondContact O-CG 3.35Å; E124-R128 PolarHBondContact O-N 2.79Å; N125-R128 PolarHBondContact O-N 3.27Å; N125-R128 PolarHBondContact OD1-NH2 3.3Å; V126-R128 VanDerWaalsContact C-N 3.28Å; V126-R128 PolarHBondContact O-N 3.14Å |
| 129 | V | 97.3 | Very high | 97.9 | Very high | 129 Ų | 129 | 68.7 Ų | 68.7 | 78% | 0.782 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -85.5 | -44.5 | 179.7 | -177.3 | 0 | 0 | 0 | 0 | 111 | V126 F127 | V126-V129 PolarHBondContact O-N 3.4Å; F127-V129 VanDerWaalsContact C-N 3.26Å; F127-V129 PolarHBondContact O-N 3.04Å |
| 130 | N | 96.4 | Very high | 97.9 | Very high | 56 Ų | 56 | 69.8 Ų | 69.8 | 30% | 0.299 | 35% | 0.354 | S | S | . | . | trans | -143.2 | 111.2 | -179 | -176.3 | 3.4 | 0 | 0 | 0 | 111.9 | V126 F127 Y132 | V126-N130 PolarHBondContact O-N 2.9Å; F127-N130 CarbonylContact O-C 3.59Å; N130-Y132 VanDerWaalsContact C-N 3.27Å; N130-Y132 PolarHBondContact ND2-O 3.09Å; N130-Y132 PolarHBondContact O-N 3.2Å; N130-Y132 WeakPolarHBondContact OD1-CA 3.23Å; N130-Y132 PolarHBondContact OD1-N 3.44Å; N130-Y132 PolarHBondContact OD1-O 2.92Å | ||
| 131 | C | 97.1 | Very high | 97.9 | Very high | 43 Ų | 43 | 67.8 Ų | 67.8 | 29% | 0.291 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -73.3 | -14.4 | 176.7 | -69.8 | 0 | 0 | 0 | 0 | 114.3 | F127 R160 | F127-C131 HydrophobicContact CD2-CB 4.41Å; F127-C131 VanDerWaalsContact CE1-SG 3.59Å; F127-C131 HydrophobicContact CE2-CB 3.91Å; F127-C131 HydrophobicContact CZ-CB 4.07Å; F127-C131 WeakPolarHBondContact CZ-SG 3.5Å; F127-C131 PolarHBondContact O-SG 3.38Å; F127-C131 VanDerWaalsContact O-SG 3.37Å; C131-R160 WeakPolarHBondContact O-CD 3.43Å; C131-R160 PolarHBondContact O-NH1 3.21Å |
| 132 | Y | 98.1 | Very high | 97.9 | Very high | 164 Ų | 164 | 63.5 Ų | 63.5 | 64% | 0.643 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -130.2 | 68.9 | -178.9 | -63.2 | -90.9 | 0 | 0 | 0 | 110.4 | N130 G134 | N130-Y132 VanDerWaalsContact C-N 3.27Å; N130-Y132 PolarHBondContact ND2-O 3.09Å; N130-Y132 PolarHBondContact O-N 3.2Å; N130-Y132 WeakPolarHBondContact OD1-CA 3.23Å; N130-Y132 PolarHBondContact OD1-N 3.44Å; N130-Y132 PolarHBondContact OD1-O 2.92Å; Y132-G134 PolarHBondContact O-N 3.46Å |
| 133 | P | 97.3 | Very high | 97.9 | Very high | 4 Ų | 4 | 69.5 Ų | 69.5 | 3% | 0.026 | 34% | 0.343 | C | S | . | . | trans | -62.9 | 134.2 | 177.3 | 28.1 | -35.9 | 0 | 0 | 0 | 110.9 | I137 R138 F156 | P133-I137 HydrophobicContact CB-CB 4.06Å; P133-I137 HydrophobicContact CB-CG2 3.85Å; P133-R138 HydrophobicContact CB-CG 4Å; P133-R138 HydrophobicContact CG-CG 3.89Å; P133-R138 PolarHBondContact O-NH1 2.81Å; P133-F156 VanDerWaalsContact CD-CD1 3.43Å; P133-F156 HydrophobicContact CG-CD1 3.57Å; P133-F156 HydrophobicContact CG-CD2 3.86Å; P133-F156 HydrophobicContact CG-CE1 3.57Å; P133-F156 HydrophobicContact CG-CE2 3.87Å; P133-F156 HydrophobicContact CG-CG 3.75Å; P133-F156 HydrophobicContact CG-CZ 3.74Å | ||
| 134 | G | 98.1 | Very high | 97.8 | Very high | 36 Ų | 36 | 75.9 Ų | 75.9 | 37% | 0.371 | 37% | 0.37 | S | S | . | . | trans | -68.3 | 174.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y132 D136 I137 R138 | Y132-G134 PolarHBondContact O-N 3.46Å; G134-D136 PolarHBondContact O-N 2.89Å; G134-I137 PolarHBondContact O-N 3.48Å; G134-R138 WeakPolarHBondContact O-CG 3.48Å; G134-R138 PolarHBondContact O-N 3.37Å | ||
| 135 | I | 97.9 | Very high | 97.8 | Very high | 75 Ų | 75 | 73.4 Ų | 73.4 | 39% | 0.385 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -58.3 | -46.1 | -175.7 | -174.2 | 59.6 | 0 | 0 | 0 | 112.2 | I137 R138 E139 E149 | I135-I137 VanDerWaalsContact C-N 3.32Å; I135-I137 PolarHBondContact O-N 3.1Å; I135-R138 PolarHBondContact O-N 3.24Å; I135-E139 HydrophobicContact CD1-CG 4.15Å; I135-E139 HydrophobicContact CG1-CG 4.28Å; I135-E139 WeakPolarHBondContact O-CG 3.32Å; I135-E139 PolarHBondContact O-N 3.2Å; I135-E149 HydrophobicContact CD1-CG 3.95Å; I135-E149 WeakPolarHBondContact CD1-OE1 3.36Å |
| 136 | D | 98.1 | Very high | 97.7 | Very high | 121 Ų | 121 | 76.3 Ų | 76.3 | 65% | 0.647 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -59.8 | -41.1 | -176.6 | -47.3 | -49.1 | 0 | 0 | 0 | 112.6 | G134 R138 E139 D140 | G134-D136 PolarHBondContact O-N 2.89Å; D136-R138 VanDerWaalsContact C-N 3.34Å; D136-E139 PolarHBondContact O-N 2.92Å; D136-D140 WeakPolarHBondContact O-CB 3.49Å; D136-D140 PolarHBondContact O-N 3.39Å |
| 137 | I | 97.9 | Very high | 97.7 | Very high | 73 Ų | 73 | 76.1 Ų | 76.1 | 37% | 0.374 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -67.6 | -39.2 | 178.1 | -60.8 | 175.3 | 0 | 0 | 0 | 110.2 | V126 P133 G134 I135 L141 | V126-I137 HydrophobicContact CG1-CG2 4.25Å; P133-I137 HydrophobicContact CB-CB 4.06Å; P133-I137 HydrophobicContact CB-CG2 3.85Å; G134-I137 PolarHBondContact O-N 3.48Å; I135-I137 VanDerWaalsContact C-N 3.32Å; I135-I137 PolarHBondContact O-N 3.1Å; I137-L141 HydrophobicContact CG2-CD1 4.25Å; I137-L141 WeakPolarHBondContact O-CB 3.18Å; I137-L141 WeakPolarHBondContact O-CG 3.49Å; I137-L141 PolarHBondContact O-N 3.05Å |
| 138 | R | 98.4 | Very high | 97.6 | Very high | 45 Ų | 45 | 80.6 Ų | 80.6 | 17% | 0.17 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -70.1 | -37.2 | 179.1 | -64.8 | -170.1 | -48.9 | -111 | 7.1 | 111.5 | P133 G134 I135 D136 L141 A142 E149 I152 | P133-R138 HydrophobicContact CB-CG 4Å; P133-R138 HydrophobicContact CG-CG 3.89Å; P133-R138 PolarHBondContact O-NH1 2.81Å; G134-R138 WeakPolarHBondContact O-CG 3.48Å; G134-R138 PolarHBondContact O-N 3.37Å; I135-R138 PolarHBondContact O-N 3.24Å; D136-R138 VanDerWaalsContact C-N 3.34Å; R138-L141 PolarHBondContact O-N 3.3Å; R138-A142 VanDerWaalsContact O-CB 3.28Å; R138-A142 WeakPolarHBondContact O-CB 3.43Å; R138-A142 PolarHBondContact O-N 3.23Å; R138-E149 HydrophobicContact CB-CG 3.98Å; R138-E149 IonicContact CZ-OE1 2.97Å; R138-E149 VanDerWaalsContact CZ-OE1 3.24Å; R138-E149 IonicContact NE-OE1 3.16Å; R138-E149 PolarHBondContact NE-OE1 3.01Å; R138-E149 IonicContact NH2-OE1 3.5Å; R138-E149 PolarHBondContact NH2-OE1 3.23Å; R138-I152 HydrophobicContact CB-CG2 4.12Å; R138-I152 HydrophobicContact CG-CG2 4.07Å |
| 139 | E | 98.5 | Very high | 97.6 | Very high | 94 Ų | 94 | 74.5 Ų | 74.5 | 44% | 0.439 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -67.3 | -39.1 | 174.2 | -71.1 | -176.6 | 169.2 | 0 | 0 | 112.6 | I135 D136 A142 R143 E149 | I135-E139 HydrophobicContact CD1-CG 4.15Å; I135-E139 HydrophobicContact CG1-CG 4.28Å; I135-E139 WeakPolarHBondContact O-CG 3.32Å; I135-E139 PolarHBondContact O-N 3.2Å; D136-E139 PolarHBondContact O-N 2.92Å; E139-A142 WeakPolarHBondContact O-CB 3.43Å; E139-A142 PolarHBondContact O-N 3.24Å; E139-R143 WeakPolarHBondContact O-CG 3.39Å; E139-R143 PolarHBondContact O-N 2.81Å; E139-E149 HydrophobicContact CG-CG 4.17Å |
| 140 | D | 98.2 | Very high | 97.6 | Very high | 53 Ų | 53 | 69.7 Ų | 69.7 | 28% | 0.283 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62.4 | -43.9 | 172.5 | -177.2 | 56.5 | 0 | 0 | 0 | 111.8 | D136 R143 K144 | D136-D140 WeakPolarHBondContact O-CB 3.49Å; D136-D140 PolarHBondContact O-N 3.39Å; D140-R143 PolarHBondContact O-N 3.04Å; D140-R143 IonicContact OD1-NH2 3.81Å; D140-K144 WeakPolarHBondContact O-CB 3.32Å; D140-K144 VanDerWaalsContact O-CG 3.3Å; D140-K144 WeakPolarHBondContact O-CG 3.32Å; D140-K144 PolarHBondContact O-N 2.82Å; D140-K144 WeakPolarHBondContact OD1-CE 3.45Å; D140-K144 IonicContact OD1-NZ 3.47Å; D140-K144 WeakPolarHBondContact OD2-CE 3.4Å; D140-K144 IonicContact OD2-NZ 2.68Å; D140-K144 PolarHBondContact OD2-NZ 3.23Å |
| 141 | L | 98.1 | Very high | 97.6 | Very high | 7 Ų | 7 | 68.9 Ų | 68.9 | 4% | 0.037 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -64 | -41.2 | 174.2 | -75.1 | 170.8 | 0 | 0 | 0 | 112.9 | V122 L123 V126 I137 R138 R143 K144 L145 I152 F156 | V122-L141 HydrophobicContact CG1-CD2 3.88Å; L123-L141 HydrophobicContact CD2-CD1 4.22Å; V126-L141 HydrophobicContact CB-CD1 4.42Å; V126-L141 HydrophobicContact CG1-CD1 4.22Å; V126-L141 HydrophobicContact CG2-CD1 4.23Å; V126-L141 HydrophobicContact CG2-CD2 4.03Å; I137-L141 HydrophobicContact CG2-CD1 4.25Å; I137-L141 WeakPolarHBondContact O-CB 3.18Å; I137-L141 WeakPolarHBondContact O-CG 3.49Å; I137-L141 PolarHBondContact O-N 3.05Å; R138-L141 PolarHBondContact O-N 3.3Å; L141-R143 VanDerWaalsContact C-N 3.33Å; L141-R143 PolarHBondContact O-N 3.36Å; L141-K144 PolarHBondContact O-N 3.44Å; L141-L145 HydrophobicContact CD2-CD1 4.49Å; L141-L145 VanDerWaalsContact O-CB 3.28Å; L141-L145 WeakPolarHBondContact O-CB 3.36Å; L141-L145 WeakPolarHBondContact O-CG 3.41Å; L141-L145 PolarHBondContact O-N 3.42Å; L141-I152 HydrophobicContact CB-CG2 4.31Å; L141-I152 HydrophobicContact CD1-CG2 4.18Å; L141-F156 HydrophobicContact CD1-CE2 4.08Å; L141-F156 HydrophobicContact CD1-CZ 4.32Å |
| 142 | A | 98.2 | Very high | 97.7 | Very high | 11 Ų | 11 | 66.8 Ų | 66.8 | 9% | 0.091 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -56.9 | -47.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | R138 E139 N146 L147 E149 I152 | R138-A142 VanDerWaalsContact O-CB 3.28Å; R138-A142 WeakPolarHBondContact O-CB 3.43Å; R138-A142 PolarHBondContact O-N 3.23Å; E139-A142 WeakPolarHBondContact O-CB 3.43Å; E139-A142 PolarHBondContact O-N 3.24Å; A142-N146 WeakPolarHBondContact O-CA 3.49Å; A142-N146 PolarHBondContact O-N 3.27Å; A142-L147 CarbonylContact C-O 3.48Å; A142-L147 WeakPolarHBondContact CA-O 3.42Å; A142-L147 WeakPolarHBondContact CB-O 3.36Å; A142-L147 PolarHBondContact O-N 2.85Å; A142-E149 HydrophobicContact CB-CB 4.32Å; A142-I152 HydrophobicContact CB-CG1 4.25Å |
| 143 | R | 98.1 | Very high | 97.6 | Very high | 176 Ų | 176 | 61.9 Ų | 61.9 | 66% | 0.664 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -63.6 | -47.3 | 175.2 | -70.1 | -177.1 | -66.8 | 171 | 0.5 | 112.2 | E139 D140 L141 L145 N146 | E139-R143 WeakPolarHBondContact O-CG 3.39Å; E139-R143 PolarHBondContact O-N 2.81Å; D140-R143 PolarHBondContact O-N 3.04Å; D140-R143 IonicContact OD1-NH2 3.81Å; L141-R143 VanDerWaalsContact C-N 3.33Å; L141-R143 PolarHBondContact O-N 3.36Å; R143-L145 VanDerWaalsContact C-N 3.33Å; R143-L145 PolarHBondContact O-N 3.39Å; R143-N146 PolarHBondContact O-N 2.8Å |
| 144 | K | 97.5 | Very high | 97.6 | Very high | 133 Ų | 133 | 64.6 Ų | 64.6 | 58% | 0.578 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -63.5 | -36.2 | -178.9 | -76 | 172.7 | 176.3 | 171.4 | 0 | 113.4 | D140 L141 | D140-K144 WeakPolarHBondContact O-CB 3.32Å; D140-K144 VanDerWaalsContact O-CG 3.3Å; D140-K144 WeakPolarHBondContact O-CG 3.32Å; D140-K144 PolarHBondContact O-N 2.82Å; D140-K144 WeakPolarHBondContact OD1-CE 3.45Å; D140-K144 IonicContact OD1-NZ 3.47Å; D140-K144 WeakPolarHBondContact OD2-CE 3.4Å; D140-K144 IonicContact OD2-NZ 2.68Å; D140-K144 PolarHBondContact OD2-NZ 3.23Å; L141-K144 PolarHBondContact O-N 3.44Å |
| 145 | L | 97.1 | Very high | 97.6 | Very high | 13 Ų | 13 | 64.1 Ų | 64.1 | 7% | 0.068 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -98.9 | -0.9 | -174.5 | -60.5 | -179.5 | 0 | 0 | 0 | 113.5 | Q119 V122 L123 L141 R143 L147 I152 | Q119-L145 HydrophobicContact CG-CB 4.3Å; Q119-L145 HydrophobicContact CG-CD2 4.19Å; Q119-L145 PolarHBondContact NE2-O 2.88Å; V122-L145 HydrophobicContact CB-CD2 4.06Å; V122-L145 HydrophobicContact CG1-CD1 4.35Å; V122-L145 HydrophobicContact CG1-CD2 4.09Å; V122-L145 HydrophobicContact CG2-CD2 4.2Å; L123-L145 HydrophobicContact CD1-CD1 4.29Å; L123-L145 HydrophobicContact CD2-CD1 3.88Å; L123-L145 HydrophobicContact CG-CD1 3.81Å; L141-L145 HydrophobicContact CD2-CD1 4.49Å; L141-L145 VanDerWaalsContact O-CB 3.28Å; L141-L145 WeakPolarHBondContact O-CB 3.36Å; L141-L145 WeakPolarHBondContact O-CG 3.41Å; L141-L145 PolarHBondContact O-N 3.42Å; R143-L145 VanDerWaalsContact C-N 3.33Å; R143-L145 PolarHBondContact O-N 3.39Å; L145-L147 HydrophobicContact CB-CD1 3.8Å; L145-L147 HydrophobicContact CB-CG 4.15Å; L145-L147 HydrophobicContact CD1-CD1 4.35Å; L145-I152 HydrophobicContact CD1-CD1 4.44Å |
| 146 | N | 97.2 | Very high | 97.6 | Very high | 148 Ų | 148 | 60.7 Ų | 60.7 | 79% | 0.791 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.7 | 51.5 | -172.8 | -63.7 | -62.4 | 0 | 0 | 0 | 112.4 | A142 R143 | A142-N146 WeakPolarHBondContact O-CA 3.49Å; A142-N146 PolarHBondContact O-N 3.27Å; R143-N146 PolarHBondContact O-N 2.8Å |
| 147 | L | 96.4 | Very high | 97.6 | Very high | 30 Ų | 30 | 59.3 Ų | 59.3 | 16% | 0.157 | 28% | 0.276 | C | S | . | . | trans | -127.4 | 157.8 | 179.5 | -66.3 | 168.7 | 0 | 0 | 0 | 109.8 | T113 F115 Q119 A142 L145 I152 | T113-L147 HydrophobicContact CG2-CD2 4.25Å; F115-L147 HydrophobicContact CD1-CD1 3.77Å; F115-L147 HydrophobicContact CD1-CD2 4.36Å; F115-L147 HydrophobicContact CE1-CD1 3.73Å; F115-L147 HydrophobicContact CE1-CD2 4.25Å; Q119-L147 HydrophobicContact CG-CD1 4.5Å; A142-L147 CarbonylContact C-O 3.48Å; A142-L147 WeakPolarHBondContact CA-O 3.42Å; A142-L147 WeakPolarHBondContact CB-O 3.36Å; A142-L147 PolarHBondContact O-N 2.85Å; L145-L147 HydrophobicContact CB-CD1 3.8Å; L145-L147 HydrophobicContact CB-CG 4.15Å; L145-L147 HydrophobicContact CD1-CD1 4.35Å; L147-I152 HydrophobicContact CB-CD1 3.95Å; L147-I152 HydrophobicContact CD1-CD1 3.69Å; L147-I152 HydrophobicContact CG-CD1 4.49Å | ||
| 148 | E | 96.6 | Very high | 97.6 | Very high | 110 Ų | 110 | 60.5 Ų | 60.5 | 51% | 0.514 | 28% | 0.283 | S | S | . | . | trans | -74 | 142.2 | 169.8 | -174.8 | -178.4 | -168.6 | 0 | 0 | 110.1 | D150 R151 I152 | E148-D150 HydrophobicContact CG-CB 4.23Å; E148-D150 PolarHBondContact O-N 2.91Å; E148-R151 HydrophobicContact CB-CG 4.14Å; E148-R151 WeakPolarHBondContact O-CA 3.36Å; E148-R151 WeakPolarHBondContact O-CB 3.47Å; E148-R151 PolarHBondContact O-N 3.21Å; E148-I152 PolarHBondContact O-N 2.77Å | ||
| 149 | E | 97.5 | Very high | 97.6 | Very high | 43 Ų | 43 | 61.4 Ų | 61.4 | 20% | 0.201 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -53.6 | -39.2 | -179.8 | -175.8 | -80.1 | 161.9 | 0 | 0 | 111.9 | I135 R138 E139 A142 R151 I152 Q153 | I135-E149 HydrophobicContact CD1-CG 3.95Å; I135-E149 WeakPolarHBondContact CD1-OE1 3.36Å; R138-E149 HydrophobicContact CB-CG 3.98Å; R138-E149 IonicContact CZ-OE1 2.97Å; R138-E149 VanDerWaalsContact CZ-OE1 3.24Å; R138-E149 IonicContact NE-OE1 3.16Å; R138-E149 PolarHBondContact NE-OE1 3.01Å; R138-E149 IonicContact NH2-OE1 3.5Å; R138-E149 PolarHBondContact NH2-OE1 3.23Å; E139-E149 HydrophobicContact CG-CG 4.17Å; A142-E149 HydrophobicContact CB-CB 4.32Å; E149-R151 PolarHBondContact O-N 3.44Å; E149-I152 CarbonylContact O-C 3.51Å; E149-I152 WeakPolarHBondContact O-CA 3.43Å; E149-I152 VanDerWaalsContact O-CB 3.31Å; E149-I152 WeakPolarHBondContact O-CB 3.45Å; E149-I152 PolarHBondContact O-N 3.3Å; E149-Q153 PolarHBondContact O-N 3.44Å |
| 150 | D | 96.7 | Very high | 97.5 | Very high | 29 Ų | 29 | 59.7 Ų | 59.7 | 16% | 0.155 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -57.5 | -35.8 | 176.7 | -179.4 | 68.3 | 0 | 0 | 0 | 112.1 | R110 E148 Q153 I154 | R110-D150 IonicContact CZ-OD2 2.65Å; R110-D150 IonicContact NH1-OD1 3.72Å; R110-D150 PolarHBondContact NH1-OD1 2.86Å; R110-D150 IonicContact NH1-OD2 3.61Å; R110-D150 PolarHBondContact NH1-OD2 3.37Å; E148-D150 HydrophobicContact CG-CB 4.23Å; E148-D150 PolarHBondContact O-N 2.91Å; D150-Q153 PolarHBondContact O-N 2.91Å; D150-I154 WeakPolarHBondContact O-CB 3.47Å; D150-I154 WeakPolarHBondContact O-CD1 3.47Å; D150-I154 VanDerWaalsContact O-CG1 3.23Å; D150-I154 WeakPolarHBondContact O-CG1 3.36Å; D150-I154 PolarHBondContact O-N 3.41Å; D150-I154 VanDerWaalsContact OD2-CD1 3.26Å; D150-I154 WeakPolarHBondContact OD2-CD1 3.45Å |
| 151 | R | 97 | Very high | 97.5 | Very high | 38 Ų | 38 | 58.4 Ų | 58.4 | 14% | 0.143 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -69.1 | -37.2 | 176.8 | -56.6 | -55 | -177.9 | 150.5 | 10.5 | 111.5 | P111 T113 F115 E148 E149 W155 | P111-R151 PolarHBondContact O-NH1 3.16Å; P111-R151 PolarHBondContact O-NH2 3Å; T113-R151 WeakPolarHBondContact OG1-CD 3.17Å; T113-R151 PolarHBondContact OG1-NE 3.21Å; T113-R151 PolarHBondContact OG1-NH1 2.98Å; T113-R151 VanDerWaalsContact OG1-NH1 3.16Å; F115-R151 HydrophobicContact CE1-CB 4.36Å; F115-R151 HydrophobicContact CZ-CB 4.34Å; E148-R151 HydrophobicContact CB-CG 4.14Å; E148-R151 WeakPolarHBondContact O-CA 3.36Å; E148-R151 WeakPolarHBondContact O-CB 3.47Å; E148-R151 PolarHBondContact O-N 3.21Å; E149-R151 PolarHBondContact O-N 3.44Å; R151-W155 WeakPolarHBondContact O-CB 3.46Å; R151-W155 PolarHBondContact O-N 2.97Å |
| 152 | I | 97.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.5 | -49.5 | 173.1 | -51.5 | -51.9 | 0 | 0 | 0 | 109.2 | L123 R138 L141 A142 L145 L147 E148 E149 I154 W155 F156 | L123-I152 HydrophobicContact CD2-CD1 4.05Å; L123-I152 HydrophobicContact CD2-CG2 4.08Å; R138-I152 HydrophobicContact CB-CG2 4.12Å; R138-I152 HydrophobicContact CG-CG2 4.07Å; L141-I152 HydrophobicContact CB-CG2 4.31Å; L141-I152 HydrophobicContact CD1-CG2 4.18Å; A142-I152 HydrophobicContact CB-CG1 4.25Å; L145-I152 HydrophobicContact CD1-CD1 4.44Å; L147-I152 HydrophobicContact CB-CD1 3.95Å; L147-I152 HydrophobicContact CD1-CD1 3.69Å; L147-I152 HydrophobicContact CG-CD1 4.49Å; E148-I152 PolarHBondContact O-N 2.77Å; E149-I152 CarbonylContact O-C 3.51Å; E149-I152 WeakPolarHBondContact O-CA 3.43Å; E149-I152 VanDerWaalsContact O-CB 3.31Å; E149-I152 WeakPolarHBondContact O-CB 3.45Å; E149-I152 PolarHBondContact O-N 3.3Å; I152-I154 PolarHBondContact O-N 3.32Å; I152-W155 WeakPolarHBondContact O-CB 3.47Å; I152-W155 PolarHBondContact O-N 2.95Å; I152-W155 VanDerWaalsContact O-N 3.14Å; I152-F156 HydrophobicContact CG2-CD2 3.75Å; I152-F156 HydrophobicContact CG2-CE2 3.69Å; I152-F156 VanDerWaalsContact O-CD2 3.32Å; I152-F156 WeakPolarHBondContact O-CD2 3.44Å; I152-F156 PolarHBondContact O-N 3.26Å |
| 153 | Q | 97.8 | Very high | 97.1 | Very high | 61 Ų | 61 | 68.6 Ų | 68.6 | 29% | 0.285 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -54.3 | -51.9 | 177.4 | 175.3 | 173 | -73.8 | 0 | 0 | 112.1 | E149 D150 W155 F156 Q157 | E149-Q153 PolarHBondContact O-N 3.44Å; D150-Q153 PolarHBondContact O-N 2.91Å; Q153-W155 VanDerWaalsContact C-N 3.3Å; Q153-W155 PolarHBondContact O-N 3.41Å; Q153-F156 PolarHBondContact O-N 3.46Å; Q153-Q157 WeakPolarHBondContact O-CG 3.38Å; Q153-Q157 PolarHBondContact O-N 2.94Å |
| 154 | I | 97.1 | Very high | 96.9 | Very high | 60 Ų | 60 | 66.1 Ų | 66.1 | 31% | 0.308 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.6 | -40 | 179 | -69 | 165.4 | 0 | 0 | 0 | 110.8 | D150 I152 Q157 N158 | D150-I154 WeakPolarHBondContact O-CB 3.47Å; D150-I154 WeakPolarHBondContact O-CD1 3.47Å; D150-I154 VanDerWaalsContact O-CG1 3.23Å; D150-I154 WeakPolarHBondContact O-CG1 3.36Å; D150-I154 PolarHBondContact O-N 3.41Å; D150-I154 VanDerWaalsContact OD2-CD1 3.26Å; D150-I154 WeakPolarHBondContact OD2-CD1 3.45Å; I152-I154 PolarHBondContact O-N 3.32Å; I154-Q157 PolarHBondContact O-N 3.49Å; I154-N158 WeakPolarHBondContact CG2-ND2 3.5Å; I154-N158 WeakPolarHBondContact O-CB 3.44Å; I154-N158 PolarHBondContact O-N 3.48Å; I154-N158 PolarHBondContact O-ND2 3.42Å |
| 155 | W | 97.7 | Very high | 96.6 | Very high | 27 Ų | 27 | 67.4 Ų | 67.4 | 10% | 0.102 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.2 | -48.3 | 176.6 | -174.3 | 100.1 | 0 | 0 | 0 | 111.4 | F115 L123 E124 F127 R151 I152 Q153 Q157 N158 R159 | F115-W155 AromaticContact CD2-CD1 3.76Å; F115-W155 HydrophobicContact CE2-CB 4.39Å; F115-W155 AromaticContact CE2-CD1 3.56Å; F115-W155 HydrophobicContact CE2-CG 4.37Å; F115-W155 HydrophobicContact CZ-CB 4.22Å; L123-W155 HydrophobicContact CB-CD2 4.05Å; L123-W155 HydrophobicContact CB-CE3 3.92Å; L123-W155 HydrophobicContact CB-CH2 3.56Å; L123-W155 HydrophobicContact CB-CZ2 3.65Å; L123-W155 HydrophobicContact CB-CZ3 3.69Å; L123-W155 HydrophobicContact CD1-CD2 3.84Å; L123-W155 HydrophobicContact CD1-CE3 4.36Å; L123-W155 HydrophobicContact CD1-CG 3.92Å; L123-W155 HydrophobicContact CD1-CZ2 4.49Å; L123-W155 HydrophobicContact CD2-CE3 4.46Å; L123-W155 HydrophobicContact CG-CD2 4.42Å; L123-W155 HydrophobicContact CG-CE3 4.48Å; E124-W155 HydrophobicContact CG-CH2 3.9Å; E124-W155 HydrophobicContact CG-CZ2 3.92Å; F127-W155 HydrophobicContact CB-CH2 4.39Å; F127-W155 HydrophobicContact CB-CZ3 4.27Å; F127-W155 HydrophobicContact CD2-CZ3 4.38Å; R151-W155 WeakPolarHBondContact O-CB 3.46Å; R151-W155 PolarHBondContact O-N 2.97Å; I152-W155 WeakPolarHBondContact O-CB 3.47Å; I152-W155 PolarHBondContact O-N 2.95Å; I152-W155 VanDerWaalsContact O-N 3.14Å; Q153-W155 VanDerWaalsContact C-N 3.3Å; Q153-W155 PolarHBondContact O-N 3.41Å; W155-Q157 VanDerWaalsContact C-N 3.35Å; W155-Q157 PolarHBondContact O-N 3.12Å; W155-N158 PolarHBondContact O-N 3.13Å; W155-R159 HydrophobicContact CE3-CB 4.19Å; W155-R159 HydrophobicContact CH2-CB 4.2Å; W155-R159 HydrophobicContact CH2-CG 3.86Å; W155-R159 HydrophobicContact CZ2-CG 4.44Å; W155-R159 HydrophobicContact CZ3-CB 3.96Å; W155-R159 HydrophobicContact CZ3-CG 4.02Å; W155-R159 WeakPolarHBondContact O-CB 3.45Å; W155-R159 PolarHBondContact O-N 2.87Å |
| 156 | F | 98.4 | Very high | 96 | Very high | 2 Ų | 2 | 70.2 Ų | 70.2 | 1% | 0.009 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.6 | -39.3 | 178.8 | -86.7 | -88.5 | 0 | 0 | 0 | 112 | L123 V126 F127 P133 L141 I152 Q153 R159 R160 | L123-F156 HydrophobicContact CD2-CE2 3.81Å; L123-F156 HydrophobicContact CD2-CZ 4.48Å; V126-F156 HydrophobicContact CB-CZ 4.23Å; V126-F156 HydrophobicContact CG1-CE1 4.47Å; V126-F156 HydrophobicContact CG1-CZ 3.98Å; F127-F156 HydrophobicContact CB-CE1 4.01Å; F127-F156 AromaticContact CD2-CD1 3.72Å; F127-F156 HydrophobicContact CD2-CD1 3.72Å; F127-F156 AromaticContact CD2-CE1 3.83Å; F127-F156 HydrophobicContact CD2-CE1 3.83Å; F127-F156 HydrophobicContact CE2-CD1 4.44Å; F127-F156 HydrophobicContact CG-CE1 4.44Å; P133-F156 VanDerWaalsContact CD-CD1 3.43Å; P133-F156 HydrophobicContact CG-CD1 3.57Å; P133-F156 HydrophobicContact CG-CD2 3.86Å; P133-F156 HydrophobicContact CG-CE1 3.57Å; P133-F156 HydrophobicContact CG-CE2 3.87Å; P133-F156 HydrophobicContact CG-CG 3.75Å; P133-F156 HydrophobicContact CG-CZ 3.74Å; L141-F156 HydrophobicContact CD1-CE2 4.08Å; L141-F156 HydrophobicContact CD1-CZ 4.32Å; I152-F156 HydrophobicContact CG2-CD2 3.75Å; I152-F156 HydrophobicContact CG2-CE2 3.69Å; I152-F156 VanDerWaalsContact O-CD2 3.32Å; I152-F156 WeakPolarHBondContact O-CD2 3.44Å; I152-F156 PolarHBondContact O-N 3.26Å; Q153-F156 PolarHBondContact O-N 3.46Å; F156-R159 PolarHBondContact O-N 3.49Å; F156-R160 WeakPolarHBondContact O-CG 3.44Å; F156-R160 PolarHBondContact O-N 2.93Å |
| 157 | Q | 98.1 | Very high | 95.1 | Very high | 93 Ų | 93 | 68.7 Ų | 68.7 | 44% | 0.435 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61.2 | -48.1 | 173.5 | -70.3 | 176.4 | 14.6 | 0 | 0 | 111.8 | Q153 I154 W155 R159 R160 A161 | Q153-Q157 WeakPolarHBondContact O-CG 3.38Å; Q153-Q157 PolarHBondContact O-N 2.94Å; I154-Q157 PolarHBondContact O-N 3.49Å; W155-Q157 VanDerWaalsContact C-N 3.35Å; W155-Q157 PolarHBondContact O-N 3.12Å; Q157-R159 VanDerWaalsContact C-N 3.32Å; Q157-R159 PolarHBondContact O-N 3.11Å; Q157-R160 PolarHBondContact O-N 2.84Å; Q157-A161 WeakPolarHBondContact O-CB 3.36Å; Q157-A161 PolarHBondContact O-N 3.36Å |
| 158 | N | 97.4 | Very high | 94.2 | Very high | 97 Ų | 97 | 75 Ų | 75 | 52% | 0.519 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.7 | -38 | 177.8 | -77.3 | -29.8 | 0 | 0 | 0 | 112 | I154 W155 A161 K162 | I154-N158 WeakPolarHBondContact CG2-ND2 3.5Å; I154-N158 WeakPolarHBondContact O-CB 3.44Å; I154-N158 PolarHBondContact O-N 3.48Å; I154-N158 PolarHBondContact O-ND2 3.42Å; W155-N158 PolarHBondContact O-N 3.13Å; N158-A161 PolarHBondContact O-N 3.4Å; N158-K162 PolarHBondContact O-N 3.45Å |
| 159 | R | 97.9 | Very high | 93.2 | Very high | 65 Ų | 65 | 75.7 Ų | 75.7 | 25% | 0.245 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63.4 | -44.7 | 177.6 | -168.5 | 66.6 | -179.3 | 90.6 | -9.2 | 111.4 | E124 F127 W155 F156 Q157 K162 L163 | E124-R159 IonicContact OE1-CZ 3.88Å; E124-R159 IonicContact OE1-NE 3.24Å; E124-R159 PolarHBondContact OE1-NE 3.34Å; E124-R159 VanDerWaalsContact OE1-NE 3.16Å; E124-R159 IonicContact OE1-NH2 2.88Å; E124-R159 PolarHBondContact OE1-NH2 2.95Å; F127-R159 HydrophobicContact CD1-CG 4.13Å; F127-R159 HydrophobicContact CD2-CB 4.25Å; F127-R159 HydrophobicContact CD2-CG 3.79Å; F127-R159 HydrophobicContact CE1-CG 4.04Å; F127-R159 HydrophobicContact CE2-CB 4.02Å; F127-R159 HydrophobicContact CE2-CG 3.7Å; F127-R159 HydrophobicContact CG-CG 4.02Å; F127-R159 HydrophobicContact CZ-CB 4.47Å; F127-R159 HydrophobicContact CZ-CG 3.83Å; W155-R159 HydrophobicContact CE3-CB 4.19Å; W155-R159 HydrophobicContact CH2-CB 4.2Å; W155-R159 HydrophobicContact CH2-CG 3.86Å; W155-R159 HydrophobicContact CZ2-CG 4.44Å; W155-R159 HydrophobicContact CZ3-CB 3.96Å; W155-R159 HydrophobicContact CZ3-CG 4.02Å; W155-R159 WeakPolarHBondContact O-CB 3.45Å; W155-R159 PolarHBondContact O-N 2.87Å; F156-R159 PolarHBondContact O-N 3.49Å; Q157-R159 VanDerWaalsContact C-N 3.32Å; Q157-R159 PolarHBondContact O-N 3.11Å; R159-K162 PolarHBondContact O-N 3.24Å; R159-L163 PolarHBondContact O-N 3.03Å |
| 160 | R | 97.8 | Very high | 92.2 | Very high | 58 Ų | 58 | 76.7 Ų | 76.7 | 22% | 0.219 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -65.1 | -39.1 | 173.4 | -68.8 | -167.3 | -60.4 | -87.6 | 1.1 | 112.3 | F127 C131 F156 Q157 K162 L163 K164 | F127-R160 HydrophobicContact CE2-CG 3.77Å; F127-R160 HydrophobicContact CZ-CG 4.11Å; C131-R160 WeakPolarHBondContact O-CD 3.43Å; C131-R160 PolarHBondContact O-NH1 3.21Å; F156-R160 WeakPolarHBondContact O-CG 3.44Å; F156-R160 PolarHBondContact O-N 2.93Å; Q157-R160 PolarHBondContact O-N 2.84Å; R160-K162 VanDerWaalsContact C-N 3.32Å; R160-K162 PolarHBondContact O-N 3.2Å; R160-L163 PolarHBondContact O-N 3.39Å; R160-K164 WeakPolarHBondContact O-CB 3.25Å; R160-K164 PolarHBondContact O-N 3.01Å |
| 161 | A | 97 | Very high | 91.1 | Very high | 26 Ų | 26 | 80.7 Ų | 80.7 | 22% | 0.215 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -61.7 | -41.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q157 N158 K164 R165 | Q157-A161 WeakPolarHBondContact O-CB 3.36Å; Q157-A161 PolarHBondContact O-N 3.36Å; N158-A161 PolarHBondContact O-N 3.4Å; A161-K164 PolarHBondContact O-N 3.35Å; A161-R165 WeakPolarHBondContact O-CG 3.38Å; A161-R165 PolarHBondContact O-N 3.47Å |
| 162 | K | 95.3 | Very high | 90.2 | Very high | 137 Ų | 137 | 85.4 Ų | 85.4 | 60% | 0.596 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -62.7 | -45.8 | 174.4 | -171.7 | 177.4 | -179.7 | -178.6 | 0 | 111.5 | N158 R159 R160 K164 R165 S166 | N158-K162 PolarHBondContact O-N 3.45Å; R159-K162 PolarHBondContact O-N 3.24Å; R160-K162 VanDerWaalsContact C-N 3.32Å; R160-K162 PolarHBondContact O-N 3.2Å; K162-K164 VanDerWaalsContact C-N 3.34Å; K162-K164 PolarHBondContact O-N 2.92Å; K162-R165 PolarHBondContact O-N 2.85Å; K162-S166 PolarHBondContact O-N 3.31Å |
| 163 | L | 93.3 | Very high | 89.2 | Confident | 94 Ų | 94 | 90.3 Ų | 90.3 | 49% | 0.492 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -57.4 | -47 | 175.7 | -179.9 | 62.5 | 0 | 0 | 0 | 111.5 | F127 R159 R160 R165 S166 H167 | F127-L163 HydrophobicContact CE1-CD2 4.47Å; F127-L163 HydrophobicContact CZ-CD2 4.29Å; R159-L163 PolarHBondContact O-N 3.03Å; R160-L163 PolarHBondContact O-N 3.39Å; L163-R165 PolarHBondContact O-N 2.84Å; L163-S166 PolarHBondContact O-N 2.83Å; L163-H167 PolarHBondContact O-N 3.19Å; L163-H167 VanDerWaalsContact O-N 3.13Å |
| 164 | K | 93.2 | Very high | 88 | Confident | 124 Ų | 124 | 93.6 Ų | 93.6 | 54% | 0.539 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -63 | -41.6 | 177.6 | -174.1 | 172.8 | 67.4 | -179.8 | 0 | 112.7 | R160 A161 K162 R168 | R160-K164 WeakPolarHBondContact O-CB 3.25Å; R160-K164 PolarHBondContact O-N 3.01Å; A161-K164 PolarHBondContact O-N 3.35Å; K162-K164 VanDerWaalsContact C-N 3.34Å; K162-K164 PolarHBondContact O-N 2.92Å; K164-R168 WeakPolarHBondContact O-CG 3.35Å; K164-R168 PolarHBondContact O-N 3.14Å |
| 165 | R | 90.8 | Very high | 86.8 | Confident | 161 Ų | 161 | 92.6 Ų | 92.6 | 61% | 0.608 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -64.3 | -46 | 176.9 | -75.3 | -167.9 | -151.3 | 94.4 | -0.7 | 111.6 | A161 K162 L163 H167 R168 E169 | A161-R165 WeakPolarHBondContact O-CG 3.38Å; A161-R165 PolarHBondContact O-N 3.47Å; K162-R165 PolarHBondContact O-N 2.85Å; L163-R165 PolarHBondContact O-N 2.84Å; R165-H167 VanDerWaalsContact C-N 3.28Å; R165-H167 PolarHBondContact O-N 3.21Å; R165-R168 PolarHBondContact O-N 2.87Å; R165-R168 VanDerWaalsContact O-N 3.11Å; R165-E169 WeakPolarHBondContact O-CB 3.49Å; R165-E169 PolarHBondContact O-N 2.9Å |
| 166 | S | 85.2 | Confident | 85.2 | Confident | 71 Ų | 71 | 97.2 Ų | 97.2 | 50% | 0.497 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -57.9 | -41.3 | 178.7 | 174.6 | 0 | 0 | 0 | 0 | 112 | K162 L163 R168 E169 S170 | K162-S166 PolarHBondContact O-N 3.31Å; L163-S166 PolarHBondContact O-N 2.83Å; S166-R168 PolarHBondContact O-N 3.28Å; S166-E169 PolarHBondContact O-N 2.99Å; S166-S170 WeakPolarHBondContact O-CB 3.1Å; S166-S170 PolarHBondContact O-N 3.35Å |
| 167 | H | 77.9 | Confident | 83.6 | Confident | 116 Ų | 116 | 104.3 Ų | 104.3 | 54% | 0.537 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.1 | -42.2 | 175.9 | -172.3 | 64.8 | 0 | 0 | 0 | 112.7 | L163 R165 Q171 | L163-H167 PolarHBondContact O-N 3.19Å; L163-H167 VanDerWaalsContact O-N 3.13Å; R165-H167 VanDerWaalsContact C-N 3.28Å; R165-H167 PolarHBondContact O-N 3.21Å; H167-Q171 PolarHBondContact CD2-NE2 2.83Å; H167-Q171 PolarHBondContact NE2-NE2 3.18Å; H167-Q171 WeakPolarHBondContact O-CG 3.33Å; H167-Q171 PolarHBondContact O-N 3.3Å |
| 168 | R | 78.3 | Confident | 81.9 | Confident | 162 Ų | 162 | 104.6 Ų | 104.6 | 61% | 0.611 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -68.5 | -40.8 | 177.7 | -69.7 | 177.1 | -179.8 | -158.8 | -4.3 | 112.8 | K164 R165 S166 Q171 F172 | K164-R168 WeakPolarHBondContact O-CG 3.35Å; K164-R168 PolarHBondContact O-N 3.14Å; R165-R168 PolarHBondContact O-N 2.87Å; R165-R168 VanDerWaalsContact O-N 3.11Å; S166-R168 PolarHBondContact O-N 3.28Å; R168-Q171 PolarHBondContact O-N 3.47Å; R168-F172 WeakPolarHBondContact O-CB 3.3Å; R168-F172 PolarHBondContact O-N 3.15Å |
| 169 | E | 75.4 | Confident | 80.1 | Confident | 125 Ų | 125 | 107.5 Ų | 107.5 | 58% | 0.584 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.7 | -44.7 | 177.2 | -178.7 | 172.4 | -164.3 | 0 | 0 | 110.5 | R165 S166 Q171 F172 L173 | R165-E169 WeakPolarHBondContact O-CB 3.49Å; R165-E169 PolarHBondContact O-N 2.9Å; S166-E169 PolarHBondContact O-N 2.99Å; E169-Q171 PolarHBondContact O-N 2.91Å; E169-F172 PolarHBondContact O-N 3Å; E169-L173 HydrophobicContact CG-CD1 3.74Å; E169-L173 WeakPolarHBondContact O-CD1 3.44Å; E169-L173 PolarHBondContact O-N 3.44Å |
| 170 | S | 76.9 | Confident | 78.3 | Confident | 65 Ų | 65 | 108.9 Ų | 108.9 | 46% | 0.455 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -58.7 | -46.7 | 173.2 | 179.2 | 0 | 0 | 0 | 0 | 112 | S166 F172 L173 M174 | S166-S170 WeakPolarHBondContact O-CB 3.1Å; S166-S170 PolarHBondContact O-N 3.35Å; S170-F172 VanDerWaalsContact C-N 3.34Å; S170-F172 PolarHBondContact O-N 3.43Å; S170-L173 PolarHBondContact O-N 2.85Å; S170-M174 WeakPolarHBondContact O-CG 3.49Å; S170-M174 PolarHBondContact O-N 2.89Å |
| 171 | Q | 73.7 | Confident | 76.4 | Confident | 112 Ų | 112 | 110.2 Ų | 110.2 | 52% | 0.523 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -60.9 | -41.8 | 174.9 | -75.3 | -170.6 | 40 | 0 | 0 | 112.5 | H167 R168 E169 M174 A175 | H167-Q171 PolarHBondContact CD2-NE2 2.83Å; H167-Q171 PolarHBondContact NE2-NE2 3.18Å; H167-Q171 WeakPolarHBondContact O-CG 3.33Å; H167-Q171 PolarHBondContact O-N 3.3Å; R168-Q171 PolarHBondContact O-N 3.47Å; E169-Q171 PolarHBondContact O-N 2.91Å; Q171-M174 PolarHBondContact O-N 3.44Å; Q171-A175 WeakPolarHBondContact O-CB 3.29Å; Q171-A175 PolarHBondContact O-N 2.9Å |
| 172 | F | 76.8 | Confident | 74.3 | Confident | 137 Ų | 137 | 114.6 Ų | 114.6 | 60% | 0.601 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -64.5 | -44 | 177.9 | 178.6 | -99.1 | 0 | 0 | 0 | 111.8 | R168 E169 S170 M174 A175 K176 | R168-F172 WeakPolarHBondContact O-CB 3.3Å; R168-F172 PolarHBondContact O-N 3.15Å; E169-F172 PolarHBondContact O-N 3Å; S170-F172 VanDerWaalsContact C-N 3.34Å; S170-F172 PolarHBondContact O-N 3.43Å; F172-M174 VanDerWaalsContact C-N 3.29Å; F172-M174 PolarHBondContact O-N 3.26Å; F172-A175 PolarHBondContact O-N 3.35Å; F172-K176 HydrophobicContact CE1-CD 4.36Å; F172-K176 VanDerWaalsContact O-CB 3.29Å; F172-K176 WeakPolarHBondContact O-CB 3.48Å; F172-K176 PolarHBondContact O-N 3.39Å |
| 173 | L | 76.6 | Confident | 72.2 | Confident | 103 Ų | 103 | 115.2 Ų | 115.2 | 54% | 0.539 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -61 | -39.9 | 174.9 | -93.5 | 81.4 | 0 | 0 | 0 | 111.4 | E169 S170 K176 K177 | E169-L173 HydrophobicContact CG-CD1 3.74Å; E169-L173 WeakPolarHBondContact O-CD1 3.44Å; E169-L173 PolarHBondContact O-N 3.44Å; S170-L173 PolarHBondContact O-N 2.85Å; L173-K176 PolarHBondContact O-N 3.43Å; L173-K177 WeakPolarHBondContact O-CB 3.4Å; L173-K177 PolarHBondContact O-N 3.38Å |
| 174 | M | 74.3 | Confident | 70.3 | Confident | 130 Ų | 130 | 118.4 Ų | 118.4 | 64% | 0.64 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -67.3 | -45.5 | 176.8 | -72.4 | -157.2 | 150.9 | 0 | 0 | 112.4 | S170 Q171 F172 K176 K177 N178 | S170-M174 WeakPolarHBondContact O-CG 3.49Å; S170-M174 PolarHBondContact O-N 2.89Å; Q171-M174 PolarHBondContact O-N 3.44Å; F172-M174 VanDerWaalsContact C-N 3.29Å; F172-M174 PolarHBondContact O-N 3.26Å; M174-K176 VanDerWaalsContact C-N 3.32Å; M174-K176 PolarHBondContact O-N 3.16Å; M174-K177 PolarHBondContact O-N 3.09Å; M174-N178 VanDerWaalsContact O-CG 3.27Å; M174-N178 PolarHBondContact O-N 2.77Å; M174-N178 VanDerWaalsContact O-N 3.09Å; M174-N178 PolarHBondContact O-OD1 3.45Å |
| 175 | A | 69.9 | Low | 67.8 | Low | 40 Ų | 40 | 123.5 Ų | 123.5 | 33% | 0.331 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -59.8 | -44.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q171 F172 K177 N178 F179 | Q171-A175 WeakPolarHBondContact O-CB 3.29Å; Q171-A175 PolarHBondContact O-N 2.9Å; F172-A175 PolarHBondContact O-N 3.35Å; A175-K177 PolarHBondContact O-N 3.42Å; A175-N178 WeakPolarHBondContact O-CB 3.07Å; A175-N178 PolarHBondContact O-N 3.44Å; A175-N178 VanDerWaalsContact O-N 3.16Å; A175-F179 WeakPolarHBondContact O-CD2 3.47Å; A175-F179 PolarHBondContact O-N 3.3Å |
| 176 | K | 65.4 | Low | 66.7 | Low | 123 Ų | 123 | 121.6 Ų | 121.6 | 54% | 0.535 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -61.4 | -41.9 | 177.1 | -174.4 | 175.8 | 177.7 | 178.8 | 0 | 111.9 | F172 L173 M174 N178 F179 N180 | F172-K176 HydrophobicContact CE1-CD 4.36Å; F172-K176 VanDerWaalsContact O-CB 3.29Å; F172-K176 WeakPolarHBondContact O-CB 3.48Å; F172-K176 PolarHBondContact O-N 3.39Å; L173-K176 PolarHBondContact O-N 3.43Å; M174-K176 VanDerWaalsContact C-N 3.32Å; M174-K176 PolarHBondContact O-N 3.16Å; K176-N178 VanDerWaalsContact C-N 3.28Å; K176-N178 PolarHBondContact O-N 3.27Å; K176-F179 PolarHBondContact O-N 2.74Å; K176-N180 PolarHBondContact O-N 3.26Å; K176-N180 PolarHBondContact O-ND2 3.41Å |
| 177 | K | 65.5 | Low | 65.7 | Low | 152 Ų | 152 | 124.3 Ų | 124.3 | 66% | 0.661 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -59.8 | -41.5 | 176 | -170 | 176.5 | 179.1 | -179.1 | 0 | 110.9 | L173 M174 A175 N180 T181 | L173-K177 WeakPolarHBondContact O-CB 3.4Å; L173-K177 PolarHBondContact O-N 3.38Å; M174-K177 PolarHBondContact O-N 3.09Å; A175-K177 PolarHBondContact O-N 3.42Å; K177-N180 PolarHBondContact O-N 3.17Å; K177-T181 PolarHBondContact O-N 3.02Å |
| 178 | N | 61.8 | Low | 65.1 | Low | 98 Ų | 98 | 124.7 Ų | 124.7 | 52% | 0.524 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -66.9 | -37.2 | 177.7 | -61.9 | -12.1 | 0 | 0 | 0 | 112.6 | M174 A175 K176 N180 T181 N182 | M174-N178 VanDerWaalsContact O-CG 3.27Å; M174-N178 PolarHBondContact O-N 2.77Å; M174-N178 VanDerWaalsContact O-N 3.09Å; M174-N178 PolarHBondContact O-OD1 3.45Å; A175-N178 WeakPolarHBondContact O-CB 3.07Å; A175-N178 PolarHBondContact O-N 3.44Å; A175-N178 VanDerWaalsContact O-N 3.16Å; K176-N178 VanDerWaalsContact C-N 3.28Å; K176-N178 PolarHBondContact O-N 3.27Å; N178-N180 VanDerWaalsContact C-N 3.31Å; N178-N180 PolarHBondContact O-N 3.03Å; N178-T181 PolarHBondContact O-N 3.17Å; N178-T181 PolarHBondContact O-OG1 3.27Å; N178-N182 PolarHBondContact O-N 3.43Å; N178-N182 PolarHBondContact O-ND2 2.93Å |
| 179 | F | 59.6 | Low | 64.3 | Low | 159 Ų | 159 | 122.5 Ų | 122.5 | 70% | 0.697 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -66.7 | -31.2 | 174.7 | -76.4 | -71.7 | 0 | 0 | 0 | 113.3 | A175 K176 | A175-F179 WeakPolarHBondContact O-CD2 3.47Å; A175-F179 PolarHBondContact O-N 3.3Å; K176-F179 PolarHBondContact O-N 2.74Å |
| 180 | N | 59.4 | Low | 63.6 | Low | 93 Ų | 93 | 122.4 Ų | 122.4 | 50% | 0.497 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -76.1 | -28.4 | 179 | -76.6 | -89.1 | 0 | 0 | 0 | 112.7 | K176 K177 N178 | K176-N180 PolarHBondContact O-N 3.26Å; K176-N180 PolarHBondContact O-ND2 3.41Å; K177-N180 PolarHBondContact O-N 3.17Å; N178-N180 VanDerWaalsContact C-N 3.31Å; N178-N180 PolarHBondContact O-N 3.03Å |
| 181 | T | 59 | Low | 62.7 | Low | 86 Ų | 86 | 126.2 Ų | 126.2 | 53% | 0.528 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -75.8 | -25.6 | 176.5 | 54.8 | 0 | 0 | 0 | 0 | 113 | K177 N178 | K177-T181 PolarHBondContact O-N 3.02Å; N178-T181 PolarHBondContact O-N 3.17Å; N178-T181 PolarHBondContact O-OG1 3.27Å |
| 182 | N | 52.1 | Low | 61.9 | Low | 118 Ų | 118 | 127.2 Ų | 127.2 | 63% | 0.631 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | 1 | 178.1 | -70.5 | -85.1 | 0 | 0 | 0 | 113.8 | N178 | N178-N182 PolarHBondContact O-N 3.43Å; N178-N182 PolarHBondContact O-ND2 2.93Å |
| 183 | L | 51.8 | Low | 60.8 | Low | 151 Ų | 151 | 126.5 Ų | 126.5 | 79% | 0.791 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.7 | 2.9 | 175.7 | -160.2 | 76 | 0 | 0 | 0 | 112 | ||
| 184 | L | 52.2 | Low | 59.4 | Low | 161 Ų | 161 | 128.4 Ų | 128.4 | 84% | 0.843 | 65% | 0.646 | S | S | * | * | trans | -121.9 | 16.6 | -176.4 | -125 | 139.7 | 0 | 0 | 0 | 112.1 | ||||
| 185 | E | 42.3 | Very low | 58.1 | Low | 230 Ų | 230 | 128.3 Ų | 128.3 | 100% | 1.075 | 65% | 0.647 | S | S | * | * | trans | -121.3 | 0 | 167.1 | -164.3 | 172.2 | -154.6 | 0 | 0 | 107.9 |
Retrieved 185 of 185 residues in 191 ms
(Link to these results)