| 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 | 68.8 | Low | 59.6 | Low | 241 Ų | 241 | 138.5 Ų | 138.5 | 100% | 1.187 | 81% | 0.812 | S | S | * | * | 0 | 100.2 | 0 | -77.4 | -179.4 | 170.6 | 0 | 0 | 105.1 | |||||
| 2 | D | 56.3 | Low | 59.1 | Low | 155 Ų | 155 | 135.8 Ų | 135.8 | 83% | 0.829 | 81% | 0.806 | S | S | * | * | trans | -85.5 | 162.6 | -166.3 | -55.6 | -97.5 | 0 | 0 | 0 | 112.8 | ||||
| 3 | A | 60.5 | Low | 59.1 | Low | 82 Ų | 82 | 134.5 Ų | 134.5 | 68% | 0.678 | 81% | 0.808 | S | S | * | * | trans | 71.5 | 145 | 150.8 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 4 | D | 66 | Low | 58.9 | Low | 159 Ų | 159 | 140 Ų | 140 | 85% | 0.85 | 82% | 0.817 | S | S | * | * | cis | -153.5 | 149.2 | 29.6 | -84.8 | -73.1 | 0 | 0 | 0 | 111.7 | ||||
| 5 | D | 56.1 | Low | 59.1 | Low | 150 Ų | 150 | 138 Ų | 138 | 80% | 0.802 | 81% | 0.813 | S | S | * | * | trans | -99.8 | 145.7 | 170.4 | 176.8 | 59.1 | 0 | 0 | 0 | 109.6 | ||||
| 6 | S | 57.1 | Low | 59.7 | Low | 115 Ų | 115 | 136.8 Ų | 136.8 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | trans | -140 | 117.2 | 175.5 | -76.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 7 | S | 62 | Low | 60.3 | Low | 103 Ų | 103 | 135.5 Ų | 135.5 | 72% | 0.72 | 81% | 0.807 | S | S | * | * | trans | -70 | 150.5 | -175.6 | 55.4 | 0 | 0 | 0 | 0 | 117 | ||||
| 8 | Y | 57.3 | Low | 60.8 | Low | 220 Ų | 220 | 135.1 Ų | 135.1 | 86% | 0.863 | 81% | 0.808 | S | S | * | * | -171.6 | 101.7 | 124.4 | 61.8 | -84.7 | 0 | 0 | 0 | 108.7 | |||||
| 9 | A | 56.6 | Low | 60.7 | Low | 86 Ų | 86 | 133.8 Ų | 133.8 | 71% | 0.711 | 81% | 0.806 | S | S | * | * | 59.6 | 108.8 | 85.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 10 | S | 57.4 | Low | 60.4 | Low | 109 Ų | 109 | 132.9 Ų | 132.9 | 76% | 0.762 | 80% | 0.804 | S | S | * | * | 157.6 | 117.8 | 106.7 | -65.5 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 11 | S | 57.9 | Low | 60.4 | Low | 103 Ų | 103 | 130.6 Ų | 130.6 | 72% | 0.72 | 80% | 0.799 | S | S | * | * | trans | 49.9 | 105.1 | 138 | 50.7 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 12 | S | 52.8 | Low | 59.6 | Low | 106 Ų | 106 | 126.8 Ų | 126.8 | 74% | 0.741 | 78% | 0.783 | S | S | * | * | 71.5 | 106 | 73.7 | 76.1 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 13 | S | 59.2 | Low | 59.4 | Low | 120 Ų | 120 | 127.2 Ų | 127.2 | 84% | 0.839 | 78% | 0.78 | S | S | * | * | trans | -142.1 | 97.4 | 153 | 50.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 14 | F | 56.4 | Low | 59.3 | Low | 211 Ų | 211 | 131.5 Ų | 131.5 | 93% | 0.925 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 126.9 | 172 | -98.7 | -99.9 | 0 | 0 | 0 | 109.5 | ||
| 15 | S | 62 | Low | 59.1 | Low | 110 Ų | 110 | 135.3 Ų | 135.3 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -102.8 | 128.2 | 163.7 | -64.7 | 0 | 0 | 0 | 0 | 108.7 | ||
| 16 | P | 69.6 | Low | 59.7 | Low | 118 Ų | 118 | 136.2 Ų | 136.2 | 77% | 0.766 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 148 | 178.4 | 30.4 | -32.2 | 0 | 0 | 0 | 111.7 | ||
| 17 | P | 69.5 | Low | 60.4 | Low | 115 Ų | 115 | 135.9 Ų | 135.9 | 75% | 0.747 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 152.6 | 175.4 | 30 | -33.4 | 0 | 0 | 0 | 112.4 | ||
| 18 | P | 68.7 | Low | 60.9 | Low | 129 Ų | 129 | 136.7 Ų | 136.7 | 84% | 0.838 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 139.4 | 179.2 | 28.1 | -33.4 | 0 | 0 | 0 | 112.4 | ||
| 19 | S | 59.1 | Low | 61.7 | Low | 110 Ų | 110 | 136 Ų | 136 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 141.7 | -176.2 | -49.7 | 0 | 0 | 0 | 0 | 113.8 | A21 | S19-A21 PolarHBondContact O-N 2.99Š|
| 20 | P | 55.6 | Low | 62.5 | Low | 116 Ų | 116 | 142.8 Ų | 142.8 | 75% | 0.753 | 80% | 0.803 | S | S | * | * | trans | -88.1 | 89.7 | 175.9 | 34.2 | -29.6 | 0 | 0 | 0 | 109.9 | ||||
| 21 | A | 58.5 | Low | 63.3 | Low | 84 Ų | 84 | 149.2 Ų | 149.2 | 69% | 0.694 | 81% | 0.811 | S | S | * | * | trans | -136.9 | 61.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | S19 | S19-A21 PolarHBondContact O-N 2.99Š| ||
| 22 | D | 52.4 | Low | 63.8 | Low | 161 Ų | 161 | 149 Ų | 149 | 86% | 0.861 | 82% | 0.815 | S | S | * | * | trans | -156.6 | 53.9 | 160.7 | -106.2 | -27.2 | 0 | 0 | 0 | 111.5 | ||||
| 23 | H | 51.7 | Low | 64.5 | Low | 165 Ų | 165 | 147.1 Ų | 147.1 | 76% | 0.764 | 81% | 0.812 | S | S | * | * | trans | -109.6 | 44 | 177.4 | -75.5 | -65 | 0 | 0 | 0 | 113.2 | ||||
| 24 | L | 60.3 | Low | 65.2 | Low | 171 Ų | 171 | 152.8 Ų | 152.8 | 90% | 0.895 | 82% | 0.815 | S | S | * | * | trans | -147.9 | 39 | 174.5 | -71.6 | -178.4 | 0 | 0 | 0 | 115.8 | ||||
| 25 | R | 60.9 | Low | 66 | Low | 239 Ų | 239 | 152 Ų | 152 | 90% | 0.902 | 81% | 0.812 | S | S | * | * | trans | -132.4 | 62.1 | 164.5 | -65.8 | -170.6 | -179.5 | -157.8 | 1.5 | 111.7 | ||||
| 26 | L | 68.7 | Low | 66.5 | Low | 169 Ų | 169 | 155.6 Ų | 155.6 | 89% | 0.885 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 125.2 | 159.1 | -74.1 | 169.1 | 0 | 0 | 0 | 107.6 | ||
| 27 | P | 71.5 | Confident | 66.8 | Low | 108 Ų | 108 | 158.2 Ų | 158.2 | 70% | 0.701 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 137.7 | 178.2 | 23.2 | -31.8 | 0 | 0 | 0 | 109.1 | K29 | P27-K29 PolarHBondContact O-N 3.07Š|
| 28 | P | 73.4 | Confident | 67 | Low | 120 Ų | 120 | 163.5 Ų | 163.5 | 78% | 0.779 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 121.3 | 179.6 | 21.6 | -31.6 | 0 | 0 | 0 | 109.2 | R30 | P28-R30 PolarHBondContact O-N 3.16Š|
| 29 | K | 73.9 | Confident | 67.7 | Low | 206 Ų | 206 | 163.3 Ų | 163.3 | 90% | 0.896 | 81% | 0.806 | S | S | * | * | trans | -54.4 | 104.3 | 176.2 | -174.7 | 163.4 | 178.7 | 174.2 | 0 | 107.9 | P27 R31 | P27-K29 PolarHBondContact O-N 3.07Å; K29-R31 PolarHBondContact O-N 2.99Å; K29-R31 VanDerWaalsContact O-N 3.13Å | ||
| 30 | R | 73.6 | Confident | 69.2 | Low | 229 Ų | 229 | 161.3 Ų | 161.3 | 86% | 0.864 | 79% | 0.789 | S | S | * | * | trans | -51.8 | 124.7 | 175.7 | -70.8 | 173.4 | 66.2 | -174.1 | 1.9 | 106.7 | P28 A32 | P28-R30 PolarHBondContact O-N 3.16Å; R30-A32 PolarHBondContact O-N 3.19Å | ||
| 31 | R | 74.1 | Confident | 70.9 | Confident | 244 Ų | 244 | 163.1 Ų | 163.1 | 92% | 0.921 | 78% | 0.781 | S | S | * | * | trans | -52.9 | 106.9 | 168.5 | -69.2 | -176.5 | 171.8 | -148.3 | -2.7 | 105.7 | K29 G33 | K29-R31 PolarHBondContact O-N 2.99Å; K29-R31 VanDerWaalsContact O-N 3.13Å; R31-G33 VanDerWaalsContact C-N 3.32Å; R31-G33 PolarHBondContact O-N 2.98Å | ||
| 32 | A | 67 | Low | 72.5 | Confident | 97 Ų | 97 | 160.8 Ų | 160.8 | 80% | 0.802 | 76% | 0.756 | S | S | * | * | trans | -57.1 | 104.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 105.5 | R30 R34 | R30-A32 PolarHBondContact O-N 3.19Å; A32-R34 PolarHBondContact O-N 3.18Å; A32-R34 VanDerWaalsContact O-N 3.1Å | ||
| 33 | G | 68 | Low | 74.3 | Confident | 67 Ų | 67 | 159 Ų | 159 | 69% | 0.691 | 75% | 0.753 | S | S | * | * | trans | -54.2 | 124.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 106.7 | R31 K35 | R31-G33 VanDerWaalsContact C-N 3.32Å; R31-G33 PolarHBondContact O-N 2.98Å; G33-K35 PolarHBondContact O-N 3.21Å | ||
| 34 | R | 75.2 | Confident | 76.3 | Confident | 239 Ų | 239 | 156.3 Ų | 156.3 | 90% | 0.902 | 75% | 0.748 | S | S | * | * | trans | -55.5 | 95.6 | 174.8 | 179.8 | 169.3 | 178 | 166.9 | -2.1 | 106.9 | A32 K36 | A32-R34 PolarHBondContact O-N 3.18Å; A32-R34 VanDerWaalsContact O-N 3.1Å; R34-K36 PolarHBondContact O-N 3.43Å | ||
| 35 | K | 71.9 | Confident | 77.9 | Confident | 195 Ų | 195 | 150.2 Ų | 150.2 | 85% | 0.848 | 71% | 0.713 | S | S | * | * | trans | -58.3 | 113.6 | 174.9 | -171.7 | 172.3 | -178.6 | 176.7 | 0 | 104.1 | G33 F37 | G33-K35 PolarHBondContact O-N 3.21Å; K35-F37 PolarHBondContact O-N 3.35Å | ||
| 36 | K | 73.6 | Confident | 79.4 | Confident | 186 Ų | 186 | 146.1 Ų | 146.1 | 81% | 0.809 | 70% | 0.698 | S | S | * | * | trans | -53.1 | 109.6 | 176.5 | -66.9 | -179 | -179.3 | -178.8 | 0 | 105.3 | R34 R38 | R34-K36 PolarHBondContact O-N 3.43Å; K36-R38 VanDerWaalsContact C-N 3.32Å; K36-R38 PolarHBondContact O-N 2.96Å | ||
| 37 | F | 74.6 | Confident | 80.5 | Confident | 173 Ų | 173 | 139.5 Ų | 139.5 | 76% | 0.759 | 67% | 0.671 | S | S | * | * | trans | -60 | 103.4 | 177.6 | 178.3 | -100.7 | 0 | 0 | 0 | 105.1 | K35 E39 | K35-F37 PolarHBondContact O-N 3.35Å; F37-E39 VanDerWaalsContact C-N 3.29Å; F37-E39 HydrophobicContact CD1-CB 4.47Å; F37-E39 HydrophobicContact CE1-CB 4.44Å; F37-E39 PolarHBondContact O-N 3.49Å | ||
| 38 | R | 73.9 | Confident | 81.6 | Confident | 225 Ų | 225 | 134.5 Ų | 134.5 | 85% | 0.849 | 64% | 0.638 | S | S | * | * | trans | -69.6 | 100.7 | 173.5 | -73.3 | -170 | 174.8 | -169 | -1.3 | 104.5 | K36 T40 | K36-R38 VanDerWaalsContact C-N 3.32Å; K36-R38 PolarHBondContact O-N 2.96Å; R38-T40 PolarHBondContact O-N 3.31Å | ||
| 39 | E | 84.6 | Confident | 82.6 | Confident | 126 Ų | 126 | 132.6 Ų | 132.6 | 59% | 0.589 | 62% | 0.615 | S | S | * | * | trans | -54.9 | 114.2 | 176.1 | 178.4 | 154.5 | -139.6 | 0 | 0 | 107.7 | F37 R41 | F37-E39 VanDerWaalsContact C-N 3.29Å; F37-E39 HydrophobicContact CD1-CB 4.47Å; F37-E39 HydrophobicContact CE1-CB 4.44Å; F37-E39 PolarHBondContact O-N 3.49Å; E39-R41 HydrophobicContact CG-CB 3.74Å; E39-R41 HydrophobicContact CG-CG 4.18Å; E39-R41 PolarHBondContact O-N 3.45Å | ||
| 40 | T | 90.1 | Very high | 83.5 | Confident | 67 Ų | 67 | 124.1 Ų | 124.1 | 41% | 0.411 | 58% | 0.583 | S | S | . | * | trans | -77.2 | -3.6 | 179.7 | 62.1 | 0 | 0 | 0 | 0 | 111.2 | R38 R49 A50 | R38-T40 PolarHBondContact O-N 3.31Å; T40-R49 CarbonylContact O-C 3.59Å; T40-R49 WeakPolarHBondContact O-CA 3.36Å; T40-A50 PolarHBondContact O-N 3.46Å | ||
| 41 | R | 91.8 | Very high | 84.4 | Confident | 154 Ų | 154 | 119.7 Ų | 119.7 | 58% | 0.581 | 57% | 0.567 | S | S | * | * | B | Isolated β-bridge | trans | -81.5 | 145.8 | -179.6 | -62 | 180 | 171.4 | -171.4 | -2 | 109.3 | E39 | E39-R41 HydrophobicContact CG-CB 3.74Å; E39-R41 HydrophobicContact CG-CG 4.18Å; E39-R41 PolarHBondContact O-N 3.45Å |
| 42 | H | 91.3 | Very high | 85.1 | Confident | 35 Ų | 35 | 111.3 Ų | 111.3 | 16% | 0.162 | 55% | 0.549 | C | S | . | . | trans | -67.1 | 134.9 | 170.7 | -165.9 | -73.6 | 0 | 0 | 0 | 109.3 | V44 Y45 V48 W57 | H42-V44 VanDerWaalsContact C-N 3.31Å; H42-V44 PolarHBondContact ND1-N 2.96Å; H42-V44 PolarHBondContact O-N 3.33Å; H42-Y45 AromaticContact CD2-CD2 3.77Å; H42-Y45 AromaticContact CE1-CD2 3.34Å; H42-Y45 WeakPolarHBondContact CE1-CD2 3.45Å; H42-Y45 AromaticContact CE1-CE2 3.67Å; H42-Y45 AromaticContact CG-CD2 3.78Å; H42-Y45 AromaticContact ND1-CD2 3.51Å; H42-Y45 AromaticContact ND1-CG 3.94Å; H42-Y45 PolarHBondContact ND1-N 2.97Å; H42-Y45 AromaticContact NE2-CD2 3.52Å; H42-Y45 AromaticContact NE2-CE2 3.77Å; H42-V48 HydrophobicContact CB-CB 4Å; H42-V48 HydrophobicContact CB-CG1 4.02Å; H42-V48 PolarHBondContact N-O 3.32Å; H42-W57 HydrophobicContact CB-CZ3 3.94Å; H42-W57 AromaticContact CD2-CH2 3.45Å; H42-W57 VanDerWaalsContact CD2-CH2 3.45Å; H42-W57 WeakPolarHBondContact CD2-CH2 3.48Å; H42-W57 AromaticContact CD2-CZ3 3.5Å | ||
| 43 | P | 90.9 | Very high | 85.9 | Confident | 124 Ų | 124 | 111.1 Ų | 111.1 | 81% | 0.805 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -67.3 | -31.1 | -177.7 | 24.1 | -33.9 | 0 | 0 | 0 | 113.3 | ||
| 44 | V | 92.7 | Very high | 86.9 | Confident | 108 Ų | 108 | 109.3 Ų | 109.3 | 66% | 0.655 | 54% | 0.539 | S | S | * | . | S | Bend | trans | -95.6 | -55.4 | 179.8 | -174.6 | 0 | 0 | 0 | 0 | 112.9 | H42 | H42-V44 VanDerWaalsContact C-N 3.31Å; H42-V44 PolarHBondContact ND1-N 2.96Å; H42-V44 PolarHBondContact O-N 3.33Å |
| 45 | Y | 94.3 | Very high | 87.6 | Confident | 44 Ų | 44 | 103 Ų | 103 | 17% | 0.173 | 53% | 0.527 | C | S | . | . | S | Bend | trans | -82.3 | 130.6 | -173 | -55.6 | -53.4 | 0 | 0 | 0 | 114.3 | H42 P78 E79 A82 N101 F102 | H42-Y45 AromaticContact CD2-CD2 3.77Å; H42-Y45 AromaticContact CE1-CD2 3.34Å; H42-Y45 WeakPolarHBondContact CE1-CD2 3.45Å; H42-Y45 AromaticContact CE1-CE2 3.67Å; H42-Y45 AromaticContact CG-CD2 3.78Å; H42-Y45 AromaticContact ND1-CD2 3.51Å; H42-Y45 AromaticContact ND1-CG 3.94Å; H42-Y45 PolarHBondContact ND1-N 2.97Å; H42-Y45 AromaticContact NE2-CD2 3.52Å; H42-Y45 AromaticContact NE2-CE2 3.77Å; Y45-P78 HydrophobicContact CD2-CB 4.01Å; Y45-P78 HydrophobicContact CE2-CB 4.16Å; Y45-E79 HydrophobicContact CE2-CG 4.44Å; Y45-A82 HydrophobicContact CD1-CB 3.75Å; Y45-A82 HydrophobicContact CD2-CB 4.19Å; Y45-A82 HydrophobicContact CE1-CB 4.36Å; Y45-A82 HydrophobicContact CG-CB 3.66Å; Y45-N101 HydrophobicContact CD1-CB 4.14Å; Y45-F102 HydrophobicContact CD1-CZ 4.25Å; Y45-F102 AromaticContact CE1-CE1 3.83Å; Y45-F102 HydrophobicContact CE1-CE1 3.83Å; Y45-F102 HydrophobicContact CE1-CE2 4.26Å; Y45-F102 AromaticContact CE1-CZ 3.52Å; Y45-F102 HydrophobicContact CE1-CZ 3.52Å; Y45-F102 AromaticContact CZ-CZ 3.89Å |
| 46 | R | 92.2 | Very high | 88.6 | Confident | 153 Ų | 153 | 98 Ų | 98 | 58% | 0.577 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | 142.1 | 173.6 | -57.3 | 175.6 | -176.9 | -90.6 | 0.7 | 110.3 | V48 N101 | R46-V48 PolarHBondContact O-N 3.24Å; R46-N101 WeakPolarHBondContact CB-OD1 3.39Å; R46-N101 PolarHBondContact N-OD1 3.15Å; R46-N101 PolarHBondContact O-ND2 2.9Å |
| 47 | G | 92 | Very high | 89.7 | Confident | 30 Ų | 30 | 91 Ų | 91 | 31% | 0.309 | 47% | 0.471 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.1 | 2.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | E60 | G47-E60 PolarHBondContact O-N 3.31Š|
| 48 | V | 94.9 | Very high | 90.7 | Very high | 3 Ų | 3 | 82.8 Ų | 82.8 | 2% | 0.018 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 127.1 | -177.3 | 179.7 | 0 | 0 | 0 | 0 | 110.6 | H42 R46 W57 P78 A81 A82 | H42-V48 HydrophobicContact CB-CB 4Å; H42-V48 HydrophobicContact CB-CG1 4.02Å; H42-V48 PolarHBondContact N-O 3.32Å; R46-V48 PolarHBondContact O-N 3.24Å; V48-W57 HydrophobicContact CG1-CB 4.17Å; V48-W57 HydrophobicContact CG1-CD2 4.1Å; V48-W57 HydrophobicContact CG1-CE3 3.39Å; V48-W57 HydrophobicContact CG1-CG 4.45Å; V48-W57 HydrophobicContact CG1-CZ3 4.06Å; V48-P78 HydrophobicContact CG1-CB 4.33Å; V48-A81 HydrophobicContact CB-CB 4.49Å; V48-A81 HydrophobicContact CG1-CB 3.95Å; V48-A81 HydrophobicContact CG2-CB 3.81Å; V48-A82 HydrophobicContact CG2-CB 4.02Å |
| 49 | R | 94.6 | Very high | 91.7 | Very high | 80 Ų | 80 | 72.1 Ų | 72.1 | 30% | 0.302 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 132.3 | 179.5 | 159.9 | 167 | 60.2 | 146.2 | -4.9 | 111.4 | T40 W57 V58 E60 | T40-R49 CarbonylContact O-C 3.59Å; T40-R49 WeakPolarHBondContact O-CA 3.36Å; R49-W57 CarbonylContact O-C 3.53Å; R49-W57 WeakPolarHBondContact O-CA 3.37Å; R49-V58 HydrophobicContact CB-CB 4.46Å; R49-V58 PolarHBondContact N-O 2.99Å; R49-V58 PolarHBondContact O-N 3.47Å; R49-E60 IonicContact CZ-OE2 3.67Å; R49-E60 IonicContact NE-OE2 3.48Å; R49-E60 IonicContact NH2-OE1 3.88Å; R49-E60 IonicContact NH2-OE2 2.67Å; R49-E60 PolarHBondContact NH2-OE2 2.95Å |
| 50 | A | 93.1 | Very high | 92.1 | Very high | 27 Ų | 27 | 68.2 Ų | 68.2 | 22% | 0.223 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 135 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | T40 W57 | T40-A50 PolarHBondContact O-N 3.46Å; A50-W57 HydrophobicContact CB-CE3 4.05Å; A50-W57 HydrophobicContact CB-CH2 4.19Å; A50-W57 HydrophobicContact CB-CZ3 3.79Å |
| 51 | R | 91.8 | Very high | 92.2 | Very high | 136 Ų | 136 | 65.1 Ų | 65.1 | 51% | 0.513 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 161.7 | 167.1 | -173.8 | 179.9 | -77.2 | -171.6 | -1.6 | 108.2 | G53 G54 R56 V58 | R51-G53 PolarHBondContact O-N 3.28Å; R51-G54 PolarHBondContact O-N 3.18Å; R51-R56 PolarHBondContact N-O 2.9Å; R51-R56 PolarHBondContact O-N 3.15Å; R51-R56 VanDerWaalsContact O-O 3.07Å; R51-V58 HydrophobicContact CB-CG2 3.82Å |
| 52 | A | 88.3 | Confident | 92 | Very high | 68 Ų | 68 | 64.3 Ų | 64.3 | 56% | 0.562 | 36% | 0.355 | S | S | * | . | G | 310 helix | trans | 54.9 | 51.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | G54 T55 R56 | A52-G54 PolarHBondContact O-N 3.46Å; A52-G54 VanDerWaalsContact O-N 3.11Å; A52-T55 PolarHBondContact O-N 3.15Å; A52-T55 PolarHBondContact O-OG1 2.88Å; A52-R56 HydrophobicContact CB-CB 4.49Å; A52-R56 HydrophobicContact CB-CG 4.37Å |
| 53 | G | 85 | Confident | 91.6 | Very high | 93 Ų | 93 | 65 Ų | 65 | 96% | 0.959 | 36% | 0.358 | S | S | * | . | G | 310 helix | trans | 70 | 6.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | R51 | R51-G53 PolarHBondContact O-N 3.28Š|
| 54 | G | 87.2 | Confident | 90.9 | Very high | 30 Ų | 30 | 63.7 Ų | 63.7 | 31% | 0.309 | 35% | 0.349 | S | S | . | . | G | 310 helix | trans | 108.4 | -2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | R51 A52 W57 | R51-G54 PolarHBondContact O-N 3.18Å; A52-G54 PolarHBondContact O-N 3.46Å; A52-G54 VanDerWaalsContact O-N 3.11Å; G54-W57 PolarHBondContact O-NE1 3.36Å |
| 55 | T | 91 | Very high | 90.1 | Very high | 105 Ų | 105 | 66.9 Ų | 66.9 | 64% | 0.644 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -20.7 | 179.8 | -48.4 | 0 | 0 | 0 | 0 | 113.1 | A52 | A52-T55 PolarHBondContact O-N 3.15Å; A52-T55 PolarHBondContact O-OG1 2.88Å |
| 56 | R | 93.7 | Very high | 89.2 | Confident | 91 Ų | 91 | 67.5 Ų | 67.5 | 34% | 0.343 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 135.8 | -180 | -63.4 | -67.3 | -68.2 | 165.2 | 0.8 | 110 | R51 A52 T74 | R51-R56 PolarHBondContact N-O 2.9Å; R51-R56 PolarHBondContact O-N 3.15Å; R51-R56 VanDerWaalsContact O-O 3.07Å; A52-R56 HydrophobicContact CB-CB 4.49Å; A52-R56 HydrophobicContact CB-CG 4.37Å; R56-T74 PolarHBondContact NH2-O 2.86Å; R56-T74 PolarHBondContact NH2-OG1 3.45Å |
| 57 | W | 95.7 | Very high | 88.6 | Confident | 40 Ų | 40 | 68.5 Ų | 68.5 | 15% | 0.152 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 117.2 | -178.8 | -63.4 | 91.2 | 0 | 0 | 0 | 109.6 | H42 V48 R49 A50 G54 T74 Y75 P78 A81 | H42-W57 HydrophobicContact CB-CZ3 3.94Å; H42-W57 AromaticContact CD2-CH2 3.45Å; H42-W57 VanDerWaalsContact CD2-CH2 3.45Å; H42-W57 WeakPolarHBondContact CD2-CH2 3.48Å; H42-W57 AromaticContact CD2-CZ3 3.5Å; V48-W57 HydrophobicContact CG1-CB 4.17Å; V48-W57 HydrophobicContact CG1-CD2 4.1Å; V48-W57 HydrophobicContact CG1-CE3 3.39Å; V48-W57 HydrophobicContact CG1-CG 4.45Å; V48-W57 HydrophobicContact CG1-CZ3 4.06Å; R49-W57 CarbonylContact O-C 3.53Å; R49-W57 WeakPolarHBondContact O-CA 3.37Å; A50-W57 HydrophobicContact CB-CE3 4.05Å; A50-W57 HydrophobicContact CB-CH2 4.19Å; A50-W57 HydrophobicContact CB-CZ3 3.79Å; G54-W57 PolarHBondContact O-NE1 3.36Å; W57-T74 CarbonylContact O-C 3.51Å; W57-T74 VanDerWaalsContact O-CA 3.3Å; W57-T74 WeakPolarHBondContact O-CA 3.46Å; W57-Y75 PolarHBondContact N-O 3.06Å; W57-Y75 PolarHBondContact O-N 3.27Å; W57-P78 HydrophobicContact CD2-CB 3.74Å; W57-P78 HydrophobicContact CD2-CG 4.45Å; W57-P78 HydrophobicContact CE3-CB 4.13Å; W57-P78 HydrophobicContact CG-CB 4.12Å; W57-P78 HydrophobicContact CH2-CB 4.32Å; W57-P78 HydrophobicContact CZ2-CB 4Å; W57-P78 HydrophobicContact CZ2-CG 4.06Å; W57-P78 HydrophobicContact CZ3-CB 4.39Å; W57-A81 HydrophobicContact CB-CB 3.96Å |
| 58 | V | 95 | Very high | 88.4 | Confident | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 132.5 | 175.7 | -172.5 | 0 | 0 | 0 | 0 | 108.3 | R49 R51 T74 | R49-V58 HydrophobicContact CB-CB 4.46Å; R49-V58 PolarHBondContact N-O 2.99Å; R49-V58 PolarHBondContact O-N 3.47Å; R51-V58 HydrophobicContact CB-CG2 3.82Å; V58-T74 HydrophobicContact CB-CG2 4.38Å; V58-T74 HydrophobicContact CG1-CG2 4.34Å; V58-T74 HydrophobicContact CG2-CG2 3.93Å |
| 59 | C | 94.9 | Very high | 88.2 | Confident | 0 Ų | 0 | 77.2 Ų | 77.2 | 0% | 0 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 126.3 | 172.5 | -171 | 0 | 0 | 0 | 0 | 109.7 | L72 G73 Y75 A81 | C59-L72 HydrophobicContact CB-CB 4.23Å; C59-L72 WeakPolarHBondContact O-CB 3.45Å; C59-L72 PolarHBondContact O-N 3.09Å; C59-L72 WeakPolarHBondContact SG-CD1 3.42Å; C59-G73 PolarHBondContact N-O 3.4Å; C59-G73 PolarHBondContact O-N 2.66Å; C59-Y75 HydrophobicContact CB-CD2 4.02Å; C59-Y75 HydrophobicContact CB-CE2 3.73Å; C59-A81 HydrophobicContact CB-CB 4.18Å; C59-A81 PolarHBondContact SG-O 3.46Å |
| 60 | E | 93.2 | Very high | 88 | Confident | 45 Ų | 45 | 73.9 Ų | 73.9 | 21% | 0.21 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 148.1 | 175.2 | 66.6 | -172.5 | -148.6 | 0 | 0 | 110 | G47 R49 I70 | G47-E60 PolarHBondContact O-N 3.31Å; R49-E60 IonicContact CZ-OE2 3.67Å; R49-E60 IonicContact NE-OE2 3.48Å; R49-E60 IonicContact NH2-OE1 3.88Å; R49-E60 IonicContact NH2-OE2 2.67Å; R49-E60 PolarHBondContact NH2-OE2 2.95Å; E60-I70 WeakPolarHBondContact CA-O 3.32Å |
| 61 | V | 91.6 | Very high | 88 | Confident | 2 Ų | 2 | 78.9 Ų | 78.9 | 1% | 0.012 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 144 | 175.6 | 67.7 | 0 | 0 | 0 | 0 | 110.2 | I70 L72 A88 L92 | V61-I70 HydrophobicContact CG1-CB 3.82Å; V61-I70 HydrophobicContact CG1-CD1 4.4Å; V61-I70 HydrophobicContact CG1-CG1 4.48Å; V61-I70 PolarHBondContact N-O 3.1Å; V61-I70 PolarHBondContact O-N 3.01Å; V61-L72 HydrophobicContact CB-CD1 4.2Å; V61-L72 HydrophobicContact CG1-CD1 4.23Å; V61-L72 HydrophobicContact CG1-CD2 4.38Å; V61-L72 HydrophobicContact CG1-CG 4.42Å; V61-A88 HydrophobicContact CB-CB 4.23Å; V61-A88 HydrophobicContact CG1-CB 4Å; V61-L92 HydrophobicContact CB-CD1 4.32Å; V61-L92 HydrophobicContact CG1-CD1 3.63Å; V61-L92 HydrophobicContact CG2-CD1 3.71Å |
| 62 | R | 89.5 | Confident | 88.2 | Confident | 137 Ų | 137 | 73 Ų | 73 | 52% | 0.517 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 123.3 | 172.2 | -65.6 | -173.7 | 176.8 | -164.7 | -3 | 108.6 | R69 | R62-R69 HydrophobicContact CG-CG 4.43Å |
| 63 | E | 81.9 | Confident | 88.5 | Confident | 49 Ų | 49 | 70.2 Ų | 70.2 | 23% | 0.229 | 37% | 0.373 | C | S | . | . | trans | -81 | 128.3 | 173.3 | -168.3 | 178.8 | 166.6 | 0 | 0 | 109.7 | Q65 A66 Q67 A68 L92 | E63-Q65 VanDerWaalsContact C-N 3.32Å; E63-Q65 PolarHBondContact O-N 3.3Å; E63-A66 HydrophobicContact CB-CB 4.28Å; E63-A66 VanDerWaalsContact CD-CB 3.46Å; E63-A66 HydrophobicContact CG-CB 4.15Å; E63-A66 VanDerWaalsContact OE2-CB 3.23Å; E63-A66 WeakPolarHBondContact OE2-CB 3.43Å; E63-Q67 WeakPolarHBondContact O-CA 3.4Å; E63-Q67 PolarHBondContact O-N 3.23Å; E63-A68 PolarHBondContact N-O 2.91Å; E63-A68 VanDerWaalsContact N-O 3.13Å; E63-L92 HydrophobicContact CB-CD1 4.38Å; E63-L92 HydrophobicContact CG-CD2 4.41Å | ||
| 64 | P | 76.3 | Confident | 89 | Confident | 96 Ų | 96 | 68.1 Ų | 68.1 | 62% | 0.623 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -31.5 | -179.7 | 26.8 | -33 | 0 | 0 | 0 | 112.4 | ||
| 65 | Q | 75.5 | Confident | 89.4 | Confident | 175 Ų | 175 | 67.6 Ų | 67.6 | 82% | 0.818 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -51.8 | -176.2 | -67.9 | -175.8 | -25 | 0 | 0 | 112 | E63 Q67 | E63-Q65 VanDerWaalsContact C-N 3.32Å; E63-Q65 PolarHBondContact O-N 3.3Å; Q65-Q67 PolarHBondContact O-N 3.16Å |
| 66 | A | 75.4 | Confident | 89.6 | Confident | 58 Ų | 58 | 65.3 Ų | 65.3 | 48% | 0.479 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -10.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | E63 A68 | E63-A66 HydrophobicContact CB-CB 4.28Å; E63-A66 VanDerWaalsContact CD-CB 3.46Å; E63-A66 HydrophobicContact CG-CB 4.15Å; E63-A66 VanDerWaalsContact OE2-CB 3.23Å; E63-A66 WeakPolarHBondContact OE2-CB 3.43Å; A66-A68 HydrophobicContact CB-CB 3.96Å; A66-A68 PolarHBondContact O-N 3.25Å |
| 67 | Q | 80.8 | Confident | 89.6 | Confident | 173 Ų | 173 | 62.3 Ų | 62.3 | 81% | 0.808 | 31% | 0.309 | S | S | * | . | trans | 50.8 | 13.5 | -166.3 | -59.5 | -175.4 | 5.6 | 0 | 0 | 114.1 | E63 Q65 | E63-Q67 WeakPolarHBondContact O-CA 3.4Å; E63-Q67 PolarHBondContact O-N 3.23Å; Q65-Q67 PolarHBondContact O-N 3.16Å | ||
| 68 | A | 86.6 | Confident | 89.6 | Confident | 43 Ų | 43 | 61.3 Ų | 61.3 | 36% | 0.355 | 31% | 0.308 | S | S | . | . | trans | -79.1 | 146.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | E63 A66 | E63-A68 PolarHBondContact N-O 2.91Å; E63-A68 VanDerWaalsContact N-O 3.13Å; A66-A68 HydrophobicContact CB-CB 3.96Å; A66-A68 PolarHBondContact O-N 3.25Å | ||
| 69 | R | 90.2 | Very high | 89.6 | Confident | 173 Ų | 173 | 65.2 Ų | 65.2 | 65% | 0.653 | 33% | 0.326 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 118.9 | 173.9 | -60.3 | -178.1 | -173.3 | 175.1 | 6.1 | 108 | R62 | R62-R69 HydrophobicContact CG-CG 4.43Å |
| 70 | I | 92.2 | Very high | 89.6 | Confident | 10 Ų | 10 | 65.4 Ų | 65.4 | 5% | 0.051 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 114.8 | 175.8 | -55.7 | 172.8 | 0 | 0 | 0 | 107.4 | E60 V61 L72 L92 P117 I120 | E60-I70 WeakPolarHBondContact CA-O 3.32Å; V61-I70 HydrophobicContact CG1-CB 3.82Å; V61-I70 HydrophobicContact CG1-CD1 4.4Å; V61-I70 HydrophobicContact CG1-CG1 4.48Å; V61-I70 PolarHBondContact N-O 3.1Å; V61-I70 PolarHBondContact O-N 3.01Å; I70-L72 HydrophobicContact CG2-CD2 4.1Å; I70-L72 PolarHBondContact O-N 3.04Å; I70-L92 HydrophobicContact CD1-CD1 4.37Å; I70-L92 HydrophobicContact CD1-CD2 4.34Å; I70-P117 HydrophobicContact CD1-CB 4.43Å; I70-P117 HydrophobicContact CD1-CG 4.3Å; I70-P117 HydrophobicContact CG2-CB 4.15Å; I70-I120 HydrophobicContact CD1-CD1 4.49Å |
| 71 | W | 93.1 | Very high | 89.7 | Confident | 133 Ų | 133 | 63.3 Ų | 63.3 | 50% | 0.504 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 117.1 | 169.4 | -179.5 | 59.8 | 0 | 0 | 0 | 109 | T74 R121 | W71-T74 HydrophobicContact CZ2-CG2 4.04Å; W71-R121 PolarHBondContact O-NE 2.95Å |
| 72 | L | 94.8 | Very high | 89.9 | Confident | 11 Ų | 11 | 63.2 Ų | 63.2 | 6% | 0.058 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | -40.7 | -175.2 | -63.2 | 169.3 | 0 | 0 | 0 | 111.4 | C59 V61 I70 A88 I120 A124 | C59-L72 HydrophobicContact CB-CB 4.23Å; C59-L72 WeakPolarHBondContact O-CB 3.45Å; C59-L72 PolarHBondContact O-N 3.09Å; C59-L72 WeakPolarHBondContact SG-CD1 3.42Å; V61-L72 HydrophobicContact CB-CD1 4.2Å; V61-L72 HydrophobicContact CG1-CD1 4.23Å; V61-L72 HydrophobicContact CG1-CD2 4.38Å; V61-L72 HydrophobicContact CG1-CG 4.42Å; I70-L72 HydrophobicContact CG2-CD2 4.1Å; I70-L72 PolarHBondContact O-N 3.04Å; L72-A88 HydrophobicContact CD1-CB 3.48Å; L72-A88 VanDerWaalsContact CD1-CB 3.48Å; L72-A88 HydrophobicContact CD2-CB 3.76Å; L72-A88 HydrophobicContact CG-CB 4.27Å; L72-I120 HydrophobicContact CD2-CG2 3.62Å; L72-A124 HydrophobicContact CD2-CB 4.43Å |
| 73 | G | 95.1 | Very high | 90.1 | Very high | 10 Ų | 10 | 58 Ų | 58 | 10% | 0.103 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 160.9 | -172.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | C59 | C59-G73 PolarHBondContact N-O 3.4Å; C59-G73 PolarHBondContact O-N 2.66Å |
| 74 | T | 95.9 | Very high | 90.8 | Very high | 49 Ų | 49 | 55.7 Ų | 55.7 | 30% | 0.301 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 133.5 | 171.5 | 64 | 0 | 0 | 0 | 0 | 111.1 | R56 W57 V58 W71 | R56-T74 PolarHBondContact NH2-O 2.86Å; R56-T74 PolarHBondContact NH2-OG1 3.45Å; W57-T74 CarbonylContact O-C 3.51Å; W57-T74 VanDerWaalsContact O-CA 3.3Å; W57-T74 WeakPolarHBondContact O-CA 3.46Å; V58-T74 HydrophobicContact CB-CG2 4.38Å; V58-T74 HydrophobicContact CG1-CG2 4.34Å; V58-T74 HydrophobicContact CG2-CG2 3.93Å; W71-T74 HydrophobicContact CZ2-CG2 4.04Å |
| 75 | Y | 95.6 | Very high | 91.7 | Very high | 19 Ų | 19 | 51.8 Ų | 51.8 | 8% | 0.075 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 153 | -170.8 | -57.6 | -77.2 | 0 | 0 | 0 | 110.9 | W57 C59 M80 A81 A84 A128 | W57-Y75 PolarHBondContact N-O 3.06Å; W57-Y75 PolarHBondContact O-N 3.27Å; C59-Y75 HydrophobicContact CB-CD2 4.02Å; C59-Y75 HydrophobicContact CB-CE2 3.73Å; Y75-M80 HydrophobicContact CD1-CB 4.37Å; Y75-M80 HydrophobicContact CD1-CE 4.46Å; Y75-M80 HydrophobicContact CG-CB 4.3Å; Y75-A81 HydrophobicContact CD2-CB 3.76Å; Y75-A81 HydrophobicContact CG-CB 4.34Å; Y75-A84 HydrophobicContact CD2-CB 4.47Å; Y75-A84 HydrophobicContact CE2-CB 3.57Å; Y75-A84 WeakPolarHBondContact OH-CB 3.42Å; Y75-A128 HydrophobicContact CD1-CB 3.65Å; Y75-A128 HydrophobicContact CE1-CB 3.25Å |
| 76 | P | 93.9 | Very high | 92.6 | Very high | 58 Ų | 58 | 43.4 Ų | 43.4 | 38% | 0.377 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -74.3 | -30.7 | 179.8 | 28.9 | -33.6 | 0 | 0 | 0 | 112.7 | M80 | P76-M80 HydrophobicContact CG-SD 3.75Š|
| 77 | T | 94.7 | Very high | 93.5 | Very high | 28 Ų | 28 | 40.8 Ų | 40.8 | 17% | 0.172 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -116.1 | 150.1 | -179.7 | 72.2 | 0 | 0 | 0 | 0 | 111.6 | E79 M80 A81 P133 | T77-E79 VanDerWaalsContact C-N 3.25Å; T77-E79 VanDerWaalsContact CB-OE2 3.32Å; T77-E79 WeakPolarHBondContact CB-OE2 3.23Å; T77-E79 PolarHBondContact O-N 2.74Å; T77-M80 WeakPolarHBondContact OG1-CB 3.25Å; T77-M80 WeakPolarHBondContact OG1-CG 3.25Å; T77-M80 PolarHBondContact OG1-N 3.06Å; T77-A81 PolarHBondContact O-N 2.86Å; T77-P133 HydrophobicContact CG2-CG 3.99Å |
| 78 | P | 94.9 | Very high | 94.1 | Very high | 19 Ų | 19 | 32.5 Ų | 32.5 | 12% | 0.123 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -66.9 | -30.8 | 176.1 | 25.9 | -30.1 | 0 | 0 | 0 | 111.6 | Y45 V48 W57 A81 A82 | Y45-P78 HydrophobicContact CD2-CB 4.01Å; Y45-P78 HydrophobicContact CE2-CB 4.16Å; V48-P78 HydrophobicContact CG1-CB 4.33Å; W57-P78 HydrophobicContact CD2-CB 3.74Å; W57-P78 HydrophobicContact CD2-CG 4.45Å; W57-P78 HydrophobicContact CE3-CB 4.13Å; W57-P78 HydrophobicContact CG-CB 4.12Å; W57-P78 HydrophobicContact CH2-CB 4.32Å; W57-P78 HydrophobicContact CZ2-CB 4Å; W57-P78 HydrophobicContact CZ2-CG 4.06Å; W57-P78 HydrophobicContact CZ3-CB 4.39Å; P78-A81 PolarHBondContact O-N 3.13Å; P78-A82 WeakPolarHBondContact O-CB 3.41Å; P78-A82 PolarHBondContact O-N 2.67Å |
| 79 | E | 94.9 | Very high | 94.4 | Very high | 81 Ų | 81 | 30.5 Ų | 30.5 | 38% | 0.379 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -64.5 | -46.6 | 178 | -60.5 | 73.3 | -157.8 | 0 | 0 | 110.8 | Y45 T77 A81 A82 R83 F102 | Y45-E79 HydrophobicContact CE2-CG 4.44Å; T77-E79 VanDerWaalsContact C-N 3.25Å; T77-E79 VanDerWaalsContact CB-OE2 3.32Å; T77-E79 WeakPolarHBondContact CB-OE2 3.23Å; T77-E79 PolarHBondContact O-N 2.74Å; E79-A81 VanDerWaalsContact C-N 3.3Å; E79-A81 PolarHBondContact O-N 2.83Å; E79-A82 PolarHBondContact O-N 3.49Å; E79-A82 VanDerWaalsContact O-N 3.16Å; E79-R83 VanDerWaalsContact O-CG 3.29Å; E79-R83 WeakPolarHBondContact O-CG 3.35Å; E79-R83 PolarHBondContact O-N 2.88Å; E79-F102 HydrophobicContact CB-CZ 4.48Å |
| 80 | M | 95.1 | Very high | 94.5 | Very high | 5 Ų | 5 | 23.2 Ų | 23.2 | 3% | 0.025 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -59.7 | -42.3 | 176.1 | -75.7 | 176.8 | 80.7 | 0 | 0 | 111.4 | Y75 P76 T77 R83 A84 A128 R132 | Y75-M80 HydrophobicContact CD1-CB 4.37Å; Y75-M80 HydrophobicContact CD1-CE 4.46Å; Y75-M80 HydrophobicContact CG-CB 4.3Å; P76-M80 HydrophobicContact CG-SD 3.75Å; T77-M80 WeakPolarHBondContact OG1-CB 3.25Å; T77-M80 WeakPolarHBondContact OG1-CG 3.25Å; T77-M80 PolarHBondContact OG1-N 3.06Å; M80-R83 PolarHBondContact O-N 2.95Å; M80-A84 PolarHBondContact O-N 3.15Å; M80-A84 VanDerWaalsContact O-N 3.07Å; M80-A128 HydrophobicContact CB-CB 4.25Å; M80-A128 HydrophobicContact CE-CB 4.15Å; M80-A128 VanDerWaalsContact CE-O 3.27Å; M80-A128 WeakPolarHBondContact CE-O 3.08Å; M80-R132 HydrophobicContact CE-CB 4.18Å; M80-R132 HydrophobicContact CE-CG 4.41Å; M80-R132 HydrophobicContact SD-CB 4.44Å; M80-R132 HydrophobicContact SD-CG 4.47Å |
| 81 | A | 96 | Very high | 94.4 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -63.4 | -41.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | V48 W57 C59 Y75 T77 P78 E79 A84 H85 | V48-A81 HydrophobicContact CB-CB 4.49Å; V48-A81 HydrophobicContact CG1-CB 3.95Å; V48-A81 HydrophobicContact CG2-CB 3.81Å; W57-A81 HydrophobicContact CB-CB 3.96Å; C59-A81 HydrophobicContact CB-CB 4.18Å; C59-A81 PolarHBondContact SG-O 3.46Å; Y75-A81 HydrophobicContact CD2-CB 3.76Å; Y75-A81 HydrophobicContact CG-CB 4.34Å; T77-A81 PolarHBondContact O-N 2.86Å; P78-A81 PolarHBondContact O-N 3.13Å; E79-A81 VanDerWaalsContact C-N 3.3Å; E79-A81 PolarHBondContact O-N 2.83Å; A81-A84 WeakPolarHBondContact O-CB 3.43Å; A81-A84 PolarHBondContact O-N 3.13Å; A81-H85 PolarHBondContact O-N 2.92Å |
| 82 | A | 95.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -66.3 | -37.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y45 V48 P78 E79 H85 D86 N101 F102 | Y45-A82 HydrophobicContact CD1-CB 3.75Å; Y45-A82 HydrophobicContact CD2-CB 4.19Å; Y45-A82 HydrophobicContact CE1-CB 4.36Å; Y45-A82 HydrophobicContact CG-CB 3.66Å; V48-A82 HydrophobicContact CG2-CB 4.02Å; P78-A82 WeakPolarHBondContact O-CB 3.41Å; P78-A82 PolarHBondContact O-N 2.67Å; E79-A82 PolarHBondContact O-N 3.49Å; E79-A82 VanDerWaalsContact O-N 3.16Å; A82-H85 WeakPolarHBondContact O-CB 3.35Å; A82-H85 PolarHBondContact O-N 3.36Å; A82-D86 PolarHBondContact O-N 3.19Å; A82-N101 HydrophobicContact CB-CB 4.21Å; A82-N101 PolarHBondContact O-ND2 2.96Å; A82-F102 HydrophobicContact CB-CD2 4.42Å; A82-F102 HydrophobicContact CB-CE2 3.5Å; A82-F102 VanDerWaalsContact CB-CE2 3.5Å; A82-F102 HydrophobicContact CB-CZ 4.11Å |
| 83 | R | 94.6 | Very high | 94.1 | Very high | 28 Ų | 28 | 22.8 Ų | 22.8 | 11% | 0.106 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -63.8 | -43.5 | 172.9 | -63.9 | -65.2 | 178.5 | -177.3 | 5.9 | 112.5 | E79 M80 H85 D86 V87 F102 S105 L109 Y131 | E79-R83 VanDerWaalsContact O-CG 3.29Å; E79-R83 WeakPolarHBondContact O-CG 3.35Å; E79-R83 PolarHBondContact O-N 2.88Å; M80-R83 PolarHBondContact O-N 2.95Å; R83-H85 VanDerWaalsContact C-N 3.27Å; R83-H85 PolarHBondContact O-N 3.46Å; R83-D86 PolarHBondContact O-N 3.32Å; R83-V87 PolarHBondContact O-N 3.02Å; R83-F102 HydrophobicContact CG-CD2 4.34Å; R83-F102 HydrophobicContact CG-CE2 4.02Å; R83-F102 VanDerWaalsContact CZ-CB 3.46Å; R83-F102 VanDerWaalsContact NE-CD2 3.35Å; R83-F102 VanDerWaalsContact NH1-CD2 3.28Å; R83-S105 VanDerWaalsContact CZ-OG 3.28Å; R83-S105 PolarHBondContact NH1-OG 3.45Å; R83-S105 PolarHBondContact NH2-OG 2.98Å; R83-L109 HydrophobicContact CB-CD2 4.48Å; R83-Y131 HydrophobicContact CB-CD2 4.21Å; R83-Y131 HydrophobicContact CG-CD2 3.66Å; R83-Y131 HydrophobicContact CG-CE2 4.21Å; R83-Y131 HydrophobicContact CG-CG 3.96Å |
| 84 | A | 95.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -59.6 | -39.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y75 M80 A81 V87 A88 A124 A128 | Y75-A84 HydrophobicContact CD2-CB 4.47Å; Y75-A84 HydrophobicContact CE2-CB 3.57Å; Y75-A84 WeakPolarHBondContact OH-CB 3.42Å; M80-A84 PolarHBondContact O-N 3.15Å; M80-A84 VanDerWaalsContact O-N 3.07Å; A81-A84 WeakPolarHBondContact O-CB 3.43Å; A81-A84 PolarHBondContact O-N 3.13Å; A84-V87 PolarHBondContact O-N 3.49Å; A84-A88 PolarHBondContact O-N 2.92Å; A84-A124 HydrophobicContact CB-CB 3.97Å; A84-A128 HydrophobicContact CB-CB 4.45Å |
| 85 | H | 95.3 | Very high | 92.9 | Very high | 14 Ų | 14 | 23.7 Ų | 23.7 | 7% | 0.065 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -64.9 | -40.5 | 176 | -178.4 | -92.5 | 0 | 0 | 0 | 112.1 | A81 A82 R83 V87 A88 A89 N101 | A81-H85 PolarHBondContact O-N 2.92Å; A82-H85 WeakPolarHBondContact O-CB 3.35Å; A82-H85 PolarHBondContact O-N 3.36Å; R83-H85 VanDerWaalsContact C-N 3.27Å; R83-H85 PolarHBondContact O-N 3.46Å; H85-V87 VanDerWaalsContact C-N 3.33Å; H85-V87 PolarHBondContact O-N 3.49Å; H85-A88 PolarHBondContact O-N 3.09Å; H85-A89 WeakPolarHBondContact O-CB 3.47Å; H85-A89 PolarHBondContact O-N 3.21Å; H85-N101 PolarHBondContact ND1-ND2 3.17Å |
| 86 | D | 94.3 | Very high | 92 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62 | -40.3 | 179.8 | -71.4 | -3.1 | 0 | 0 | 0 | 111.8 | A82 R83 A89 I90 L100 N101 F102 L109 | A82-D86 PolarHBondContact O-N 3.19Å; R83-D86 PolarHBondContact O-N 3.32Å; D86-A89 WeakPolarHBondContact O-CB 3.4Å; D86-A89 PolarHBondContact O-N 3.42Å; D86-I90 VanDerWaalsContact O-CG1 3.25Å; D86-I90 WeakPolarHBondContact O-CG1 3.49Å; D86-I90 PolarHBondContact O-N 2.93Å; D86-L100 HydrophobicContact CB-CB 4.45Å; D86-L100 HydrophobicContact CB-CD2 4.01Å; D86-N101 WeakPolarHBondContact OD1-CB 3.5Å; D86-N101 PolarHBondContact OD1-N 2.77Å; D86-N101 PolarHBondContact OD1-ND2 2.77Å; D86-N101 PolarHBondContact OD2-N 2.74Å; D86-F102 WeakPolarHBondContact OD2-CD2 3.4Å; D86-F102 PolarHBondContact OD2-N 2.98Å; D86-F102 VanDerWaalsContact OD2-N 3.09Å; D86-L109 HydrophobicContact CB-CD1 3.75Å |
| 87 | V | 94.3 | Very high | 91.4 | Very high | 2 Ų | 2 | 30.2 Ų | 30.2 | 1% | 0.012 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.2 | -46.1 | 173.4 | 176.1 | 0 | 0 | 0 | 0 | 112 | R83 A84 H85 A89 I90 A91 L109 P110 A123 A127 | R83-V87 PolarHBondContact O-N 3.02Å; A84-V87 PolarHBondContact O-N 3.49Å; H85-V87 VanDerWaalsContact C-N 3.33Å; H85-V87 PolarHBondContact O-N 3.49Å; V87-A89 VanDerWaalsContact C-N 3.33Å; V87-A89 PolarHBondContact O-N 3.32Å; V87-I90 PolarHBondContact O-N 3.3Å; V87-A91 WeakPolarHBondContact O-CB 3.46Å; V87-A91 PolarHBondContact O-N 2.81Å; V87-L109 HydrophobicContact CG2-CB 3.88Å; V87-L109 HydrophobicContact CG2-CD1 4.12Å; V87-L109 HydrophobicContact CG2-CD2 3.98Å; V87-L109 HydrophobicContact CG2-CG 4.21Å; V87-P110 WeakPolarHBondContact CG1-O 3.41Å; V87-A123 HydrophobicContact CG1-CB 3.7Å; V87-A127 HydrophobicContact CG2-CB 3.43Å; V87-A127 VanDerWaalsContact CG2-CB 3.43Å |
| 88 | A | 93.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65.6 | -38.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | V61 L72 A84 H85 A91 L92 I120 | V61-A88 HydrophobicContact CB-CB 4.23Å; V61-A88 HydrophobicContact CG1-CB 4Å; L72-A88 HydrophobicContact CD1-CB 3.48Å; L72-A88 VanDerWaalsContact CD1-CB 3.48Å; L72-A88 HydrophobicContact CD2-CB 3.76Å; L72-A88 HydrophobicContact CG-CB 4.27Å; A84-A88 PolarHBondContact O-N 2.92Å; H85-A88 PolarHBondContact O-N 3.09Å; A88-A91 PolarHBondContact O-N 2.58Å; A88-L92 WeakPolarHBondContact O-CG 3.47Å; A88-L92 PolarHBondContact O-N 3.1Å; A88-I120 HydrophobicContact CB-CG2 3.58Å |
| 89 | A | 92.5 | Very high | 90.4 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.6 | -45 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | H85 D86 V87 A91 L92 R93 A98 L100 | H85-A89 WeakPolarHBondContact O-CB 3.47Å; H85-A89 PolarHBondContact O-N 3.21Å; D86-A89 WeakPolarHBondContact O-CB 3.4Å; D86-A89 PolarHBondContact O-N 3.42Å; V87-A89 VanDerWaalsContact C-N 3.33Å; V87-A89 PolarHBondContact O-N 3.32Å; A89-A91 VanDerWaalsContact C-N 3.34Å; A89-L92 PolarHBondContact O-N 2.7Å; A89-R93 VanDerWaalsContact CB-NH2 3.27Å; A89-R93 WeakPolarHBondContact O-CB 3.3Å; A89-R93 PolarHBondContact O-N 2.85Å; A89-A98 HydrophobicContact CB-CB 4.13Å; A89-L100 HydrophobicContact CB-CD2 4.07Å |
| 90 | I | 92 | Very high | 90.2 | Very high | 20 Ų | 20 | 31.4 Ų | 31.4 | 10% | 0.103 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62 | -42.6 | 175.7 | -69.1 | 166.1 | 0 | 0 | 0 | 110.8 | D86 V87 G94 A95 A98 L100 L109 | D86-I90 VanDerWaalsContact O-CG1 3.25Å; D86-I90 WeakPolarHBondContact O-CG1 3.49Å; D86-I90 PolarHBondContact O-N 2.93Å; V87-I90 PolarHBondContact O-N 3.3Å; I90-G94 CarbonylContact O-C 3.37Å; I90-G94 WeakPolarHBondContact O-CA 3.37Å; I90-G94 PolarHBondContact O-N 3.11Å; I90-A95 HydrophobicContact CG2-CB 4.12Å; I90-A98 HydrophobicContact CG1-CB 4.27Å; I90-L100 HydrophobicContact CD1-CD1 4.01Å; I90-L100 HydrophobicContact CD1-CD2 4.16Å; I90-L100 HydrophobicContact CG1-CD1 4.29Å; I90-L100 HydrophobicContact CG1-CD2 3.74Å; I90-L109 HydrophobicContact CD1-CD1 4.4Å |
| 91 | A | 91.7 | Very high | 90.1 | Very high | 29 Ų | 29 | 32.5 Ų | 32.5 | 24% | 0.24 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -66.9 | -37 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113 | V87 A88 A89 A112 I120 | V87-A91 WeakPolarHBondContact O-CB 3.46Å; V87-A91 PolarHBondContact O-N 2.81Å; A88-A91 PolarHBondContact O-N 2.58Å; A89-A91 VanDerWaalsContact C-N 3.34Å; A91-A112 HydrophobicContact CB-CB 3.99Å; A91-I120 HydrophobicContact CB-CD1 3.99Å; A91-I120 HydrophobicContact CB-CG1 3.74Å |
| 92 | L | 90.7 | Very high | 89.9 | Confident | 34 Ų | 34 | 34.2 Ų | 34.2 | 18% | 0.178 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -89.2 | -39.3 | -175.9 | -65.8 | 176.7 | 0 | 0 | 0 | 114 | V61 E63 I70 A88 A89 I120 | V61-L92 HydrophobicContact CB-CD1 4.32Å; V61-L92 HydrophobicContact CG1-CD1 3.63Å; V61-L92 HydrophobicContact CG2-CD1 3.71Å; E63-L92 HydrophobicContact CB-CD1 4.38Å; E63-L92 HydrophobicContact CG-CD2 4.41Å; I70-L92 HydrophobicContact CD1-CD1 4.37Å; I70-L92 HydrophobicContact CD1-CD2 4.34Å; A88-L92 WeakPolarHBondContact O-CG 3.47Å; A88-L92 PolarHBondContact O-N 3.1Å; A89-L92 PolarHBondContact O-N 2.7Å; L92-I120 HydrophobicContact CD2-CD1 3.75Å; L92-I120 HydrophobicContact CG-CD1 4.15Å |
| 93 | R | 89.6 | Confident | 89.4 | Confident | 82 Ų | 82 | 38.9 Ų | 38.9 | 31% | 0.309 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -98.9 | -15.2 | -177.5 | -63.8 | -168.1 | -68.6 | -81.2 | 6.2 | 113.2 | A89 A98 D99 | A89-R93 VanDerWaalsContact CB-NH2 3.27Å; A89-R93 WeakPolarHBondContact O-CB 3.3Å; A89-R93 PolarHBondContact O-N 2.85Å; R93-A98 HydrophobicContact CB-CB 4.3Å; R93-D99 PolarHBondContact NH2-O 3.42Å |
| 94 | G | 85.8 | Confident | 88.9 | Confident | 30 Ų | 30 | 44.6 Ų | 44.6 | 31% | 0.309 | 27% | 0.27 | S | S | . | . | trans | 90.1 | 156.5 | -170 | 0 | 0 | 0 | 0 | 0 | 112.4 | I90 T96 A97 A98 | I90-G94 CarbonylContact O-C 3.37Å; I90-G94 WeakPolarHBondContact O-CA 3.37Å; I90-G94 PolarHBondContact O-N 3.11Å; G94-T96 VanDerWaalsContact C-N 3.29Å; G94-T96 PolarHBondContact O-N 3.36Å; G94-A97 PolarHBondContact O-N 3.27Å; G94-A98 VanDerWaalsContact O-CB 3.29Å; G94-A98 WeakPolarHBondContact O-CB 3.14Å; G94-A98 PolarHBondContact O-N 3.25Å | ||
| 95 | A | 79.6 | Confident | 88.3 | Confident | 49 Ų | 49 | 45.1 Ų | 45.1 | 41% | 0.405 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -27.8 | -171.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | I90 | I90-A95 HydrophobicContact CG2-CB 4.12Š|
| 96 | T | 77.9 | Confident | 87.6 | Confident | 150 Ų | 150 | 45.6 Ų | 45.6 | 92% | 0.92 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | -21.3 | -176.9 | 49.5 | 0 | 0 | 0 | 0 | 113.7 | G94 | G94-T96 VanDerWaalsContact C-N 3.29Å; G94-T96 PolarHBondContact O-N 3.36Å |
| 97 | A | 80.2 | Confident | 87 | Confident | 64 Ų | 64 | 54 Ų | 54 | 53% | 0.529 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | -1.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | G94 | G94-A97 PolarHBondContact O-N 3.27Š|
| 98 | A | 83 | Confident | 86.6 | Confident | 14 Ų | 14 | 56.8 Ų | 56.8 | 12% | 0.116 | 34% | 0.342 | C | S | . | . | trans | -84.1 | 116 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112 | A89 I90 R93 G94 L100 | A89-A98 HydrophobicContact CB-CB 4.13Å; I90-A98 HydrophobicContact CG1-CB 4.27Å; R93-A98 HydrophobicContact CB-CB 4.3Å; G94-A98 VanDerWaalsContact O-CB 3.29Å; G94-A98 WeakPolarHBondContact O-CB 3.14Å; G94-A98 PolarHBondContact O-N 3.25Å; A98-L100 HydrophobicContact CB-CD2 3.74Å; A98-L100 WeakPolarHBondContact O-CG 3.39Å; A98-L100 PolarHBondContact O-N 3.24Å; A98-L100 VanDerWaalsContact O-N 3.15Å | ||
| 99 | D | 86 | Confident | 86.2 | Confident | 105 Ų | 105 | 57.3 Ų | 57.3 | 56% | 0.561 | 35% | 0.345 | S | S | * | . | trans | -67.5 | 108.2 | 164.2 | -63.8 | -29.9 | 0 | 0 | 0 | 110.2 | R93 | R93-D99 PolarHBondContact NH2-O 3.42Š| ||
| 100 | L | 91.4 | Very high | 86 | Confident | 33 Ų | 33 | 58.8 Ų | 58.8 | 17% | 0.173 | 35% | 0.354 | C | S | . | . | trans | -96.5 | 151.6 | -179.5 | -51.7 | -175.7 | 0 | 0 | 0 | 111.5 | D86 A89 I90 A98 F102 A106 | D86-L100 HydrophobicContact CB-CB 4.45Å; D86-L100 HydrophobicContact CB-CD2 4.01Å; A89-L100 HydrophobicContact CB-CD2 4.07Å; I90-L100 HydrophobicContact CD1-CD1 4.01Å; I90-L100 HydrophobicContact CD1-CD2 4.16Å; I90-L100 HydrophobicContact CG1-CD1 4.29Å; I90-L100 HydrophobicContact CG1-CD2 3.74Å; A98-L100 HydrophobicContact CB-CD2 3.74Å; A98-L100 WeakPolarHBondContact O-CG 3.39Å; A98-L100 PolarHBondContact O-N 3.24Å; A98-L100 VanDerWaalsContact O-N 3.15Å; L100-F102 VanDerWaalsContact C-N 3.3Å; L100-A106 HydrophobicContact CD1-CB 3.55Å | ||
| 101 | N | 92.6 | Very high | 85.9 | Confident | 28 Ų | 28 | 66.1 Ų | 66.1 | 15% | 0.15 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -69.7 | -32.5 | 170.3 | -66.9 | -59.2 | 0 | 0 | 0 | 111.5 | Y45 R46 A82 H85 D86 | Y45-N101 HydrophobicContact CD1-CB 4.14Å; R46-N101 WeakPolarHBondContact CB-OD1 3.39Å; R46-N101 PolarHBondContact N-OD1 3.15Å; R46-N101 PolarHBondContact O-ND2 2.9Å; A82-N101 HydrophobicContact CB-CB 4.21Å; A82-N101 PolarHBondContact O-ND2 2.96Å; H85-N101 PolarHBondContact ND1-ND2 3.17Å; D86-N101 WeakPolarHBondContact OD1-CB 3.5Å; D86-N101 PolarHBondContact OD1-N 2.77Å; D86-N101 PolarHBondContact OD1-ND2 2.77Å; D86-N101 PolarHBondContact OD2-N 2.74Å |
| 102 | F | 91.4 | Very high | 85.8 | Confident | 36 Ų | 36 | 65.8 Ų | 65.8 | 16% | 0.158 | 38% | 0.378 | C | S | . | . | trans | -130.2 | 100.7 | -177.5 | -57.4 | -81.7 | 0 | 0 | 0 | 111.3 | Y45 E79 A82 R83 D86 L100 D104 S105 | Y45-F102 HydrophobicContact CD1-CZ 4.25Å; Y45-F102 AromaticContact CE1-CE1 3.83Å; Y45-F102 HydrophobicContact CE1-CE1 3.83Å; Y45-F102 HydrophobicContact CE1-CE2 4.26Å; Y45-F102 AromaticContact CE1-CZ 3.52Å; Y45-F102 HydrophobicContact CE1-CZ 3.52Å; Y45-F102 AromaticContact CZ-CZ 3.89Å; E79-F102 HydrophobicContact CB-CZ 4.48Å; A82-F102 HydrophobicContact CB-CD2 4.42Å; A82-F102 HydrophobicContact CB-CE2 3.5Å; A82-F102 VanDerWaalsContact CB-CE2 3.5Å; A82-F102 HydrophobicContact CB-CZ 4.11Å; R83-F102 HydrophobicContact CG-CD2 4.34Å; R83-F102 HydrophobicContact CG-CE2 4.02Å; R83-F102 VanDerWaalsContact CZ-CB 3.46Å; R83-F102 VanDerWaalsContact NE-CD2 3.35Å; R83-F102 VanDerWaalsContact NH1-CD2 3.28Å; D86-F102 WeakPolarHBondContact OD2-CD2 3.4Å; D86-F102 PolarHBondContact OD2-N 2.98Å; D86-F102 VanDerWaalsContact OD2-N 3.09Å; L100-F102 VanDerWaalsContact C-N 3.3Å; F102-D104 VanDerWaalsContact C-N 3.27Å; F102-D104 PolarHBondContact O-N 3.3Å; F102-S105 PolarHBondContact O-N 3.42Å | ||
| 103 | P | 86.2 | Confident | 85.8 | Confident | 98 Ų | 98 | 74.9 Ų | 74.9 | 64% | 0.636 | 41% | 0.41 | S | S | * | . | G | 310 helix | trans | -62.3 | -35.4 | -176.7 | 24.4 | -33.1 | 0 | 0 | 0 | 112.5 | S105 A106 | P103-S105 PolarHBondContact O-N 3.02Å; P103-S105 VanDerWaalsContact O-N 3.11Å; P103-A106 PolarHBondContact O-N 3.45Å |
| 104 | D | 84 | Confident | 85.9 | Confident | 149 Ų | 149 | 74.5 Ų | 74.5 | 80% | 0.797 | 42% | 0.416 | S | S | * | . | G | 310 helix | trans | -70 | -12.3 | -172.5 | -56.7 | -26.5 | 0 | 0 | 0 | 114.3 | F102 | F102-D104 VanDerWaalsContact C-N 3.27Å; F102-D104 PolarHBondContact O-N 3.3Å |
| 105 | S | 81.8 | Confident | 86 | Confident | 10 Ų | 10 | 76.3 Ų | 76.3 | 7% | 0.07 | 43% | 0.428 | C | S | . | . | G | 310 helix | trans | -114.3 | 5.1 | -173.6 | -43.4 | 0 | 0 | 0 | 0 | 114.1 | R83 F102 P103 H107 A108 L109 Y131 | R83-S105 VanDerWaalsContact CZ-OG 3.28Å; R83-S105 PolarHBondContact NH1-OG 3.45Å; R83-S105 PolarHBondContact NH2-OG 2.98Å; F102-S105 PolarHBondContact O-N 3.42Å; P103-S105 PolarHBondContact O-N 3.02Å; P103-S105 VanDerWaalsContact O-N 3.11Å; S105-H107 PolarHBondContact O-N 2.86Å; S105-A108 PolarHBondContact O-N 2.96Å; S105-L109 VanDerWaalsContact O-CG 3.23Å; S105-L109 WeakPolarHBondContact O-CG 3.22Å; S105-L109 PolarHBondContact O-N 3.14Å; S105-L109 VanDerWaalsContact O-N 3.16Å; S105-Y131 WeakPolarHBondContact CB-OH 3.39Å; S105-Y131 PolarHBondContact OG-OH 3.01Å |
| 106 | A | 81.6 | Confident | 86.6 | Confident | 25 Ų | 25 | 76 Ų | 76 | 21% | 0.207 | 43% | 0.426 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.9 | -35 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | L100 P103 | L100-A106 HydrophobicContact CD1-CB 3.55Å; P103-A106 PolarHBondContact O-N 3.45Å |
| 107 | H | 81 | Confident | 87.3 | Confident | 176 Ų | 176 | 71.6 Ų | 71.6 | 82% | 0.815 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -22.8 | -179.8 | -60.5 | -71.2 | 0 | 0 | 0 | 114.5 | S105 | S105-H107 PolarHBondContact O-N 2.86Š|
| 108 | A | 85 | Confident | 88 | Confident | 61 Ų | 61 | 73.6 Ų | 73.6 | 50% | 0.504 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | -16.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | S105 | S105-A108 PolarHBondContact O-N 2.96Š|
| 109 | L | 87 | Confident | 88.6 | Confident | 11 Ų | 11 | 75 Ų | 75 | 6% | 0.058 | 41% | 0.407 | C | S | . | . | S | Bend | trans | -78.6 | 140.6 | -176.4 | -70 | 169.4 | 0 | 0 | 0 | 112.2 | R83 D86 V87 I90 S105 R111 A127 Y131 | R83-L109 HydrophobicContact CB-CD2 4.48Å; D86-L109 HydrophobicContact CB-CD1 3.75Å; V87-L109 HydrophobicContact CG2-CB 3.88Å; V87-L109 HydrophobicContact CG2-CD1 4.12Å; V87-L109 HydrophobicContact CG2-CD2 3.98Å; V87-L109 HydrophobicContact CG2-CG 4.21Å; I90-L109 HydrophobicContact CD1-CD1 4.4Å; S105-L109 VanDerWaalsContact O-CG 3.23Å; S105-L109 WeakPolarHBondContact O-CG 3.22Å; S105-L109 PolarHBondContact O-N 3.14Å; S105-L109 VanDerWaalsContact O-N 3.16Å; L109-R111 PolarHBondContact O-N 3.3Å; L109-A127 HydrophobicContact CD2-CB 3.71Å; L109-Y131 HydrophobicContact CD2-CE2 3.95Å |
| 110 | P | 87.9 | Confident | 89 | Confident | 31 Ų | 31 | 70 Ų | 70 | 20% | 0.201 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -62.9 | 134.4 | 172.8 | 27.9 | -35 | 0 | 0 | 0 | 110.3 | V87 A123 Q126 A127 | V87-P110 WeakPolarHBondContact CG1-O 3.41Å; P110-A123 WeakPolarHBondContact CG-O 3.49Å; P110-Q126 HydrophobicContact CG-CB 4.1Å; P110-A127 HydrophobicContact CG-CB 3.8Å |
| 111 | R | 89.3 | Confident | 89.2 | Confident | 174 Ų | 174 | 72.8 Ų | 72.8 | 66% | 0.657 | 39% | 0.389 | S | S | * | . | P | Polyproline II helix | trans | -87.6 | 135.8 | 174.4 | -67.8 | -175.6 | 176.1 | 179.9 | -1.9 | 110 | L109 | L109-R111 PolarHBondContact O-N 3.3Š|
| 112 | A | 90.8 | Very high | 89.4 | Confident | 22 Ų | 22 | 79.9 Ų | 79.9 | 18% | 0.182 | 41% | 0.414 | C | S | . | . | P | Polyproline II helix | trans | -61.7 | 143.9 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110 | A91 T114 I120 A123 | A91-A112 HydrophobicContact CB-CB 3.99Å; A112-T114 WeakPolarHBondContact CB-O 3.39Å; A112-I120 HydrophobicContact CB-CG1 4.13Å; A112-A123 HydrophobicContact CB-CB 4.09Å |
| 113 | R | 89.9 | Confident | 89.6 | Confident | 225 Ų | 225 | 78.5 Ų | 78.5 | 85% | 0.849 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -69.9 | -37.8 | -179.9 | -67.2 | 177.6 | 66.9 | -165.5 | 0.7 | 111.6 | ||
| 114 | T | 91.5 | Very high | 90 | Very high | 73 Ų | 73 | 73.8 Ų | 73.8 | 45% | 0.448 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -137.5 | 172 | 177.4 | 72.7 | 0 | 0 | 0 | 0 | 110.2 | A112 A116 D119 | A112-T114 WeakPolarHBondContact CB-O 3.39Å; T114-A116 PolarHBondContact O-N 2.93Å; T114-A116 VanDerWaalsContact OG1-CB 3.25Å; T114-A116 WeakPolarHBondContact OG1-CB 3.37Å; T114-A116 PolarHBondContact OG1-N 2.88Å; T114-D119 WeakPolarHBondContact CB-OD2 3.4Å; T114-D119 WeakPolarHBondContact CG2-OD2 3.43Å; T114-D119 PolarHBondContact N-OD2 2.83Å; T114-D119 PolarHBondContact OG1-OD2 3.4Å |
| 115 | A | 88.6 | Confident | 90.6 | Very high | 68 Ų | 68 | 69 Ų | 69 | 56% | 0.562 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -78.2 | 8.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 116 | A | 91.6 | Very high | 91.2 | Very high | 42 Ų | 42 | 73.4 Ų | 73.4 | 35% | 0.347 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -67.8 | 140.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | T114 D118 D119 I120 | T114-A116 PolarHBondContact O-N 2.93Å; T114-A116 VanDerWaalsContact OG1-CB 3.25Å; T114-A116 WeakPolarHBondContact OG1-CB 3.37Å; T114-A116 PolarHBondContact OG1-N 2.88Å; A116-D118 PolarHBondContact O-N 3.44Å; A116-D118 VanDerWaalsContact O-N 3.15Å; A116-D119 PolarHBondContact O-N 3.48Å; A116-I120 WeakPolarHBondContact O-CG1 3.25Å; A116-I120 PolarHBondContact O-N 3.44Å; A116-I120 VanDerWaalsContact O-N 3.09Å |
| 117 | P | 93.1 | Very high | 91.9 | Very high | 59 Ų | 59 | 72.2 Ų | 72.2 | 38% | 0.383 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -53.3 | -37.8 | -178.9 | -28.8 | 35.4 | 0 | 0 | 0 | 114.4 | I70 I120 R121 | I70-P117 HydrophobicContact CD1-CB 4.43Å; I70-P117 HydrophobicContact CD1-CG 4.3Å; I70-P117 HydrophobicContact CG2-CB 4.15Å; P117-I120 PolarHBondContact O-N 2.97Å; P117-R121 VanDerWaalsContact O-CG 3.25Å; P117-R121 WeakPolarHBondContact O-CG 3.35Å; P117-R121 PolarHBondContact O-N 2.97Å |
| 118 | D | 94.9 | Very high | 92.5 | Very high | 106 Ų | 106 | 63.9 Ų | 63.9 | 57% | 0.567 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -73.9 | -38 | -177.6 | -62.2 | -48.1 | 0 | 0 | 0 | 113.2 | A116 I120 R121 R122 | A116-D118 PolarHBondContact O-N 3.44Å; A116-D118 VanDerWaalsContact O-N 3.15Å; D118-I120 VanDerWaalsContact C-N 3.31Å; D118-I120 PolarHBondContact O-N 3.32Å; D118-R121 PolarHBondContact O-N 2.85Å; D118-R121 IonicContact OD1-CZ 3.98Å; D118-R121 IonicContact OD1-NH1 2.95Å; D118-R121 PolarHBondContact OD1-NH1 3Å; D118-R122 WeakPolarHBondContact O-CB 3.29Å; D118-R122 PolarHBondContact O-N 3.32Å |
| 119 | D | 95.1 | Very high | 92.9 | Very high | 43 Ų | 43 | 65.9 Ų | 65.9 | 23% | 0.23 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64 | -40.4 | 172.7 | -83.2 | -16.8 | 0 | 0 | 0 | 111 | T114 A116 R122 A123 | T114-D119 WeakPolarHBondContact CB-OD2 3.4Å; T114-D119 WeakPolarHBondContact CG2-OD2 3.43Å; T114-D119 PolarHBondContact N-OD2 2.83Å; T114-D119 PolarHBondContact OG1-OD2 3.4Å; A116-D119 PolarHBondContact O-N 3.48Å; D119-R122 PolarHBondContact O-N 2.75Å; D119-A123 WeakPolarHBondContact O-CB 3.48Å; D119-A123 PolarHBondContact O-N 3.37Å |
| 120 | I | 94.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -63.4 | -47.3 | 175.9 | -64.7 | 171.3 | 0 | 0 | 0 | 110.3 | I70 L72 A88 A91 L92 A112 A116 P117 D118 R122 A123 A124 | I70-I120 HydrophobicContact CD1-CD1 4.49Å; L72-I120 HydrophobicContact CD2-CG2 3.62Å; A88-I120 HydrophobicContact CB-CG2 3.58Å; A91-I120 HydrophobicContact CB-CD1 3.99Å; A91-I120 HydrophobicContact CB-CG1 3.74Å; L92-I120 HydrophobicContact CD2-CD1 3.75Å; L92-I120 HydrophobicContact CG-CD1 4.15Å; A112-I120 HydrophobicContact CB-CG1 4.13Å; A116-I120 WeakPolarHBondContact O-CG1 3.25Å; A116-I120 PolarHBondContact O-N 3.44Å; A116-I120 VanDerWaalsContact O-N 3.09Å; P117-I120 PolarHBondContact O-N 2.97Å; D118-I120 VanDerWaalsContact C-N 3.31Å; D118-I120 PolarHBondContact O-N 3.32Å; I120-R122 VanDerWaalsContact C-N 3.34Å; I120-R122 PolarHBondContact O-N 3.11Å; I120-A123 PolarHBondContact O-N 2.92Å; I120-A124 WeakPolarHBondContact O-CB 3.27Å; I120-A124 PolarHBondContact O-N 2.95Å |
| 121 | R | 95.9 | Very high | 93.3 | Very high | 91 Ų | 91 | 73.4 Ų | 73.4 | 34% | 0.343 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -58.2 | -45.3 | 176.4 | -76.2 | 166.5 | 178.3 | 166.3 | -2.5 | 111.7 | W71 P117 D118 A124 A125 | W71-R121 PolarHBondContact O-NE 2.95Å; P117-R121 VanDerWaalsContact O-CG 3.25Å; P117-R121 WeakPolarHBondContact O-CG 3.35Å; P117-R121 PolarHBondContact O-N 2.97Å; D118-R121 PolarHBondContact O-N 2.85Å; D118-R121 IonicContact OD1-CZ 3.98Å; D118-R121 IonicContact OD1-NH1 2.95Å; D118-R121 PolarHBondContact OD1-NH1 3Å; R121-A124 PolarHBondContact O-N 3.38Å; R121-A125 WeakPolarHBondContact O-CB 3.5Å; R121-A125 PolarHBondContact O-N 3.23Å |
| 122 | R | 96.3 | Very high | 93.4 | Very high | 178 Ų | 178 | 71.9 Ų | 71.9 | 67% | 0.672 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -63.1 | -46.8 | 179.8 | -171.7 | 176.5 | -176.7 | 132.9 | 1.7 | 111.8 | D118 D119 I120 A125 Q126 | D118-R122 WeakPolarHBondContact O-CB 3.29Å; D118-R122 PolarHBondContact O-N 3.32Å; D119-R122 PolarHBondContact O-N 2.75Å; I120-R122 VanDerWaalsContact C-N 3.34Å; I120-R122 PolarHBondContact O-N 3.11Å; R122-A125 PolarHBondContact O-N 3.33Å; R122-Q126 WeakPolarHBondContact O-CG 3.35Å; R122-Q126 PolarHBondContact O-N 3.23Å; R122-Q126 VanDerWaalsContact O-N 3.11Å |
| 123 | A | 95.7 | Very high | 93.1 | Very high | 6 Ų | 6 | 74.5 Ų | 74.5 | 5% | 0.05 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -65.8 | -40.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | V87 P110 A112 D119 I120 A125 Q126 A127 | V87-A123 HydrophobicContact CG1-CB 3.7Å; P110-A123 WeakPolarHBondContact CG-O 3.49Å; A112-A123 HydrophobicContact CB-CB 4.09Å; D119-A123 WeakPolarHBondContact O-CB 3.48Å; D119-A123 PolarHBondContact O-N 3.37Å; I120-A123 PolarHBondContact O-N 2.92Å; A123-A125 PolarHBondContact O-N 3.5Å; A123-Q126 PolarHBondContact O-N 3.3Å; A123-A127 WeakPolarHBondContact O-CB 3.42Å; A123-A127 PolarHBondContact O-N 2.92Å |
| 124 | A | 95.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -63 | -40.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L72 A84 I120 R121 A127 A128 | L72-A124 HydrophobicContact CD2-CB 4.43Å; A84-A124 HydrophobicContact CB-CB 3.97Å; I120-A124 WeakPolarHBondContact O-CB 3.27Å; I120-A124 PolarHBondContact O-N 2.95Å; R121-A124 PolarHBondContact O-N 3.38Å; A124-A127 PolarHBondContact O-N 2.85Å; A124-A128 WeakPolarHBondContact O-CB 3.14Å; A124-A128 PolarHBondContact O-N 3.07Å |
| 125 | A | 95.5 | Very high | 91.9 | Very high | 49 Ų | 49 | 69.7 Ų | 69.7 | 41% | 0.405 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -64.2 | -44.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | R121 R122 A123 A128 E129 | R121-A125 WeakPolarHBondContact O-CB 3.5Å; R121-A125 PolarHBondContact O-N 3.23Å; R122-A125 PolarHBondContact O-N 3.33Å; A123-A125 PolarHBondContact O-N 3.5Å; A125-A128 PolarHBondContact O-N 3.47Å; A125-E129 PolarHBondContact O-N 3.03Å; A125-E129 VanDerWaalsContact O-N 3.12Å |
| 126 | Q | 95.5 | Very high | 90.6 | Very high | 102 Ų | 102 | 71.4 Ų | 71.4 | 48% | 0.477 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -60.7 | -46 | 175.1 | -71.8 | 176 | 5.2 | 0 | 0 | 111.6 | P110 R122 A123 A128 E129 L130 | P110-Q126 HydrophobicContact CG-CB 4.1Å; R122-Q126 WeakPolarHBondContact O-CG 3.35Å; R122-Q126 PolarHBondContact O-N 3.23Å; R122-Q126 VanDerWaalsContact O-N 3.11Å; A123-Q126 PolarHBondContact O-N 3.3Å; Q126-A128 VanDerWaalsContact C-N 3.33Å; Q126-A128 PolarHBondContact O-N 3.26Å; Q126-E129 PolarHBondContact O-N 3.16Å; Q126-L130 WeakPolarHBondContact O-CG 3.47Å; Q126-L130 PolarHBondContact O-N 3.39Å; Q126-L130 VanDerWaalsContact O-N 3.15Å |
| 127 | A | 94.4 | Very high | 89 | Confident | 0 Ų | 0 | 72.1 Ų | 72.1 | 0% | 0 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -58.9 | -43.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | V87 L109 P110 A123 A124 E129 L130 Y131 | V87-A127 HydrophobicContact CG2-CB 3.43Å; V87-A127 VanDerWaalsContact CG2-CB 3.43Å; L109-A127 HydrophobicContact CD2-CB 3.71Å; P110-A127 HydrophobicContact CG-CB 3.8Å; A123-A127 WeakPolarHBondContact O-CB 3.42Å; A123-A127 PolarHBondContact O-N 2.92Å; A124-A127 PolarHBondContact O-N 2.85Å; A127-E129 VanDerWaalsContact C-N 3.32Å; A127-E129 PolarHBondContact O-N 3.33Å; A127-L130 PolarHBondContact O-N 3.38Å; A127-Y131 WeakPolarHBondContact O-CD2 3.37Å |
| 128 | A | 94.8 | Very high | 87 | Confident | 1 Ų | 1 | 75.3 Ų | 75.3 | 1% | 0.008 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -61.2 | -42.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y75 M80 A84 A124 A125 Q126 L130 Y131 R132 | Y75-A128 HydrophobicContact CD1-CB 3.65Å; Y75-A128 HydrophobicContact CE1-CB 3.25Å; M80-A128 HydrophobicContact CB-CB 4.25Å; M80-A128 HydrophobicContact CE-CB 4.15Å; M80-A128 VanDerWaalsContact CE-O 3.27Å; M80-A128 WeakPolarHBondContact CE-O 3.08Å; A84-A128 HydrophobicContact CB-CB 4.45Å; A124-A128 WeakPolarHBondContact O-CB 3.14Å; A124-A128 PolarHBondContact O-N 3.07Å; A125-A128 PolarHBondContact O-N 3.47Å; Q126-A128 VanDerWaalsContact C-N 3.33Å; Q126-A128 PolarHBondContact O-N 3.26Å; A128-L130 VanDerWaalsContact C-N 3.34Å; A128-L130 PolarHBondContact O-N 3.01Å; A128-Y131 CarbonylContact O-C 3.43Å; A128-Y131 PolarHBondContact O-N 3.42Å; A128-R132 PolarHBondContact O-N 3.36Å |
| 129 | E | 93.7 | Very high | 84.9 | Confident | 103 Ų | 103 | 76 Ų | 76 | 48% | 0.481 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -67.4 | -33 | -178.3 | -168.3 | 58.1 | -156.3 | 0 | 0 | 112.8 | A125 Q126 A127 Y131 R132 | A125-E129 PolarHBondContact O-N 3.03Å; A125-E129 VanDerWaalsContact O-N 3.12Å; Q126-E129 PolarHBondContact O-N 3.16Å; A127-E129 VanDerWaalsContact C-N 3.32Å; A127-E129 PolarHBondContact O-N 3.33Å; E129-Y131 PolarHBondContact O-N 2.88Å; E129-R132 VanDerWaalsContact O-CB 3.26Å; E129-R132 WeakPolarHBondContact O-CB 3.44Å; E129-R132 PolarHBondContact O-N 2.97Å; E129-R132 VanDerWaalsContact O-N 3.07Å; E129-R132 WeakPolarHBondContact OE1-CD 3.45Å; E129-R132 IonicContact OE2-NH1 3.99Å; E129-R132 PolarHBondContact OE2-NH1 3.23Å |
| 130 | L | 91.7 | Very high | 82.6 | Confident | 121 Ų | 121 | 77.3 Ų | 77.3 | 63% | 0.634 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -59.5 | -27.4 | 174.2 | -68.9 | 174.6 | 0 | 0 | 0 | 113.4 | Q126 A127 A128 | Q126-L130 WeakPolarHBondContact O-CG 3.47Å; Q126-L130 PolarHBondContact O-N 3.39Å; Q126-L130 VanDerWaalsContact O-N 3.15Å; A127-L130 PolarHBondContact O-N 3.38Å; A128-L130 VanDerWaalsContact C-N 3.34Å; A128-L130 PolarHBondContact O-N 3.01Å |
| 131 | Y | 90.1 | Very high | 80.4 | Confident | 79 Ų | 79 | 83.5 Ų | 83.5 | 31% | 0.31 | 48% | 0.479 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.3 | 18.8 | 179 | -66.6 | -82.8 | 0 | 0 | 0 | 112.6 | R83 S105 L109 A127 A128 E129 P133 | R83-Y131 HydrophobicContact CB-CD2 4.21Å; R83-Y131 HydrophobicContact CG-CD2 3.66Å; R83-Y131 HydrophobicContact CG-CE2 4.21Å; R83-Y131 HydrophobicContact CG-CG 3.96Å; S105-Y131 WeakPolarHBondContact CB-OH 3.39Å; S105-Y131 PolarHBondContact OG-OH 3.01Å; L109-Y131 HydrophobicContact CD2-CE2 3.95Å; A127-Y131 WeakPolarHBondContact O-CD2 3.37Å; A128-Y131 CarbonylContact O-C 3.43Å; A128-Y131 PolarHBondContact O-N 3.42Å; E129-Y131 PolarHBondContact O-N 2.88Å; Y131-P133 WeakPolarHBondContact O-CD 3.34Å |
| 132 | R | 91.4 | Very high | 78 | Confident | 141 Ų | 141 | 82.3 Ų | 82.3 | 53% | 0.532 | 50% | 0.495 | S | S | . | . | P | Polyproline II helix | trans | -61.2 | 124.3 | 174.5 | -175.1 | 178.9 | -173.8 | 106.6 | 1.1 | 109.2 | M80 A128 E129 S134 | M80-R132 HydrophobicContact CE-CB 4.18Å; M80-R132 HydrophobicContact CE-CG 4.41Å; M80-R132 HydrophobicContact SD-CB 4.44Å; M80-R132 HydrophobicContact SD-CG 4.47Å; A128-R132 PolarHBondContact O-N 3.36Å; E129-R132 VanDerWaalsContact O-CB 3.26Å; E129-R132 WeakPolarHBondContact O-CB 3.44Å; E129-R132 PolarHBondContact O-N 2.97Å; E129-R132 VanDerWaalsContact O-N 3.07Å; E129-R132 WeakPolarHBondContact OE1-CD 3.45Å; E129-R132 IonicContact OE2-NH1 3.99Å; E129-R132 PolarHBondContact OE2-NH1 3.23Å; R132-S134 PolarHBondContact O-N 3.35Å; R132-S134 VanDerWaalsContact O-N 3.1Å |
| 133 | P | 85 | Confident | 75.6 | Confident | 78 Ų | 78 | 82.4 Ų | 82.4 | 51% | 0.506 | 51% | 0.508 | S | S | . | . | P | Polyproline II helix | trans | -64 | 118.8 | 174 | 26.1 | -32.3 | 0 | 0 | 0 | 108.5 | T77 Y131 | T77-P133 HydrophobicContact CG2-CG 3.99Å; Y131-P133 WeakPolarHBondContact O-CD 3.34Å |
| 134 | S | 82.1 | Confident | 73.2 | Confident | 59 Ų | 59 | 89.5 Ų | 89.5 | 41% | 0.413 | 54% | 0.544 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 132.9 | 168.8 | 166.6 | 0 | 0 | 0 | 0 | 108.2 | R132 S136 S137 | R132-S134 PolarHBondContact O-N 3.35Å; R132-S134 VanDerWaalsContact O-N 3.1Å; S134-S136 PolarHBondContact O-N 3.2Å; S134-S136 PolarHBondContact OG-N 3.43Å; S134-S136 PolarHBondContact OG-OG 2.82Å; S134-S136 VanDerWaalsContact OG-OG 3.08Å; S134-S137 PolarHBondContact O-N 3.28Å |
| 135 | P | 73.8 | Confident | 70.7 | Confident | 138 Ų | 138 | 95.2 Ų | 95.2 | 90% | 0.896 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.5 | -11 | -179.3 | 25.3 | -34.2 | 0 | 0 | 0 | 113.3 | ||
| 136 | S | 61.8 | Low | 68.4 | Low | 104 Ų | 104 | 102 Ų | 102 | 73% | 0.727 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.3 | 1.6 | 178.5 | 57.3 | 0 | 0 | 0 | 0 | 115.3 | S134 | S134-S136 PolarHBondContact O-N 3.2Å; S134-S136 PolarHBondContact OG-N 3.43Å; S134-S136 PolarHBondContact OG-OG 2.82Å; S134-S136 VanDerWaalsContact OG-OG 3.08Å |
| 137 | S | 57.2 | Low | 66.1 | Low | 57 Ų | 57 | 105.4 Ų | 105.4 | 40% | 0.399 | 61% | 0.613 | S | S | . | * | trans | -114 | 27.1 | -164.4 | -171.8 | 0 | 0 | 0 | 0 | 116.1 | S134 S139 A140 | S134-S137 PolarHBondContact O-N 3.28Å; S137-S139 PolarHBondContact O-N 3.49Å; S137-A140 WeakPolarHBondContact OG-CB 3.37Å | ||
| 138 | S | 52.6 | Low | 63.7 | Low | 126 Ų | 126 | 108.7 Ų | 108.7 | 88% | 0.881 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.6 | 3.1 | 170 | 40 | 0 | 0 | 0 | 0 | 114.5 | ||
| 139 | S | 49.6 | Very low | 61.7 | Low | 119 Ų | 119 | 120.2 Ų | 120.2 | 83% | 0.832 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.6 | 5.4 | -179.8 | -69.4 | 0 | 0 | 0 | 0 | 117 | S137 | S137-S139 PolarHBondContact O-N 3.49Š|
| 140 | A | 47.6 | Very low | 59.5 | Low | 71 Ų | 71 | 126.7 Ų | 126.7 | 59% | 0.587 | 71% | 0.71 | S | S | * | * | trans | -104.6 | 14.1 | -172.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | S137 G142 | S137-A140 WeakPolarHBondContact OG-CB 3.37Å; A140-G142 PolarHBondContact O-N 3.32Å | ||
| 141 | S | 47.8 | Very low | 57.6 | Low | 130 Ų | 130 | 127.4 Ų | 127.4 | 91% | 0.909 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.8 | 84.2 | 169.7 | -61.9 | 0 | 0 | 0 | 0 | 109.7 | ||
| 142 | G | 46.7 | Very low | 55.6 | Low | 66 Ų | 66 | 132.3 Ų | 132.3 | 68% | 0.68 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 179.1 | 3.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 121.7 | A140 | A140-G142 PolarHBondContact O-N 3.32Š|
| 143 | L | 46 | Very low | 53.7 | Low | 181 Ų | 181 | 129.9 Ų | 129.9 | 95% | 0.948 | 76% | 0.76 | S | S | * | * | trans | -109.7 | 75.9 | 179 | -68.7 | 175.3 | 0 | 0 | 0 | 112.5 | ||||
| 144 | L | 43.6 | Very low | 52.6 | Low | 154 Ų | 154 | 130.3 Ų | 130.3 | 81% | 0.806 | 77% | 0.769 | S | S | * | * | trans | -88.3 | 142.8 | 156.2 | -159.4 | 87.8 | 0 | 0 | 0 | 108.4 | ||||
| 145 | L | 44.4 | Very low | 51.9 | Low | 121 Ų | 121 | 133.1 Ų | 133.1 | 63% | 0.634 | 79% | 0.786 | S | S | * | * | trans | 76.6 | 92 | 158.6 | -122.2 | 72.7 | 0 | 0 | 0 | 118.4 | ||||
| 146 | H | 47.1 | Very low | 51.6 | Low | 191 Ų | 191 | 132 Ų | 132 | 88% | 0.884 | 78% | 0.779 | S | S | * | * | trans | -128.4 | 102.4 | 140.8 | -85.4 | 70.4 | 0 | 0 | 0 | 108.7 | G148 | H146-G148 PolarHBondContact O-N 3.48Š| ||
| 147 | H | 46 | Very low | 51.9 | Low | 173 Ų | 173 | 132.1 Ų | 132.1 | 80% | 0.801 | 78% | 0.777 | S | S | * | * | trans | -66.4 | 118.2 | 161.4 | -76.6 | 42.6 | 0 | 0 | 0 | 107.6 | ||||
| 148 | G | 43.8 | Very low | 52.3 | Low | 70 Ų | 70 | 135.3 Ų | 135.3 | 72% | 0.722 | 80% | 0.797 | S | S | * | * | trans | -173 | 77.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | H146 | H146-G148 PolarHBondContact O-N 3.48Š| ||
| 149 | R | 54 | Low | 52.4 | Low | 242 Ų | 242 | 137 Ų | 137 | 91% | 0.913 | 80% | 0.795 | S | S | * | * | trans | 65.7 | 102.5 | 139.7 | -163.9 | 170.1 | 170.6 | 155.8 | -4 | 119 | ||||
| 150 | R | 46.9 | Very low | 52.5 | Low | 240 Ų | 240 | 137 Ų | 137 | 91% | 0.906 | 80% | 0.795 | S | S | * | * | trans | -5.1 | 115.7 | 143 | -69.5 | 173.7 | 146.6 | 156.2 | -6 | 116.9 | ||||
| 151 | T | 53.2 | Low | 53.2 | Low | 135 Ų | 135 | 141.6 Ų | 141.6 | 83% | 0.828 | 81% | 0.809 | S | S | * | * | -151.3 | 124.8 | 129.9 | 36.2 | 0 | 0 | 0 | 0 | 108.6 | A153 | T151-A153 PolarHBondContact O-N 3.22Š| |||
| 152 | I | 47.3 | Very low | 54.2 | Low | 183 Ų | 183 | 140.4 Ų | 140.4 | 94% | 0.938 | 80% | 0.798 | S | S | * | * | trans | -79.1 | 96.5 | 175.5 | -59.8 | 167.2 | 0 | 0 | 0 | 106.1 | ||||
| 153 | A | 52.3 | Low | 55.1 | Low | 90 Ų | 90 | 142.7 Ų | 142.7 | 74% | 0.744 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -98.8 | 123.8 | 169.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | T151 | T151-A153 PolarHBondContact O-N 3.22Š|
| 154 | A | 60.9 | Low | 56.2 | Low | 86 Ų | 86 | 140.2 Ų | 140.2 | 71% | 0.711 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 145.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 155 | P | 66.7 | Low | 56.8 | Low | 118 Ų | 118 | 142 Ų | 142 | 77% | 0.766 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -64 | 135.8 | 173.1 | 27.2 | -32.7 | 0 | 0 | 0 | 110 | ||
| 156 | P | 67.7 | Low | 56.9 | Low | 115 Ų | 115 | 141.1 Ų | 141.1 | 75% | 0.747 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 148.7 | 173.5 | 28 | -33.3 | 0 | 0 | 0 | 110.6 | ||
| 157 | P | 69.6 | Low | 57.3 | Low | 106 Ų | 106 | 137.5 Ų | 137.5 | 69% | 0.688 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 152.4 | 179.1 | 27.4 | -34.5 | 0 | 0 | 0 | 111.3 | L159 | P157-L159 PolarHBondContact O-N 3.42Å; P157-L159 VanDerWaalsContact O-N 3.13Å |
| 158 | P | 64.4 | Low | 57.8 | Low | 125 Ų | 125 | 134.4 Ų | 134.4 | 81% | 0.812 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 117.8 | -177.6 | 26.5 | -32.5 | 0 | 0 | 0 | 109.9 | S160 | P158-S160 PolarHBondContact O-N 3.24Š|
| 159 | L | 54.3 | Low | 58 | Low | 162 Ų | 162 | 137.1 Ų | 137.1 | 85% | 0.848 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 120.2 | 171.8 | -68.9 | 171.9 | 0 | 0 | 0 | 108.9 | P157 L161 | P157-L159 PolarHBondContact O-N 3.42Å; P157-L159 VanDerWaalsContact O-N 3.13Å; L159-L161 PolarHBondContact O-N 2.97Å; L159-L161 VanDerWaalsContact O-N 3.15Å |
| 160 | S | 53.2 | Low | 57.4 | Low | 119 Ų | 119 | 130.8 Ų | 130.8 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | trans | -50.9 | 110.3 | 176.7 | -47.9 | 0 | 0 | 0 | 0 | 111.6 | P158 | P158-S160 PolarHBondContact O-N 3.24Š| ||
| 161 | L | 61.9 | Low | 56.9 | Low | 166 Ų | 166 | 124 Ų | 124 | 87% | 0.869 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 127.4 | 168.1 | -88.3 | 130.9 | 0 | 0 | 0 | 109.6 | L159 | L159-L161 PolarHBondContact O-N 2.97Å; L159-L161 VanDerWaalsContact O-N 3.15Å |
| 162 | P | 67.9 | Low | 56.6 | Low | 106 Ų | 106 | 128.1 Ų | 128.1 | 69% | 0.688 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 147 | 167.1 | 30.3 | -32.1 | 0 | 0 | 0 | 110.4 | ||
| 163 | P | 65.3 | Low | 56.7 | Low | 113 Ų | 113 | 125.2 Ų | 125.2 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 144.2 | 178.5 | 28 | -33.2 | 0 | 0 | 0 | 111.1 | E165 | P163-E165 PolarHBondContact O-N 3.48Š|
| 164 | P | 69.3 | Low | 56.5 | Low | 130 Ų | 130 | 127.6 Ų | 127.6 | 84% | 0.844 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 120.5 | 173.2 | 27.6 | -31.7 | 0 | 0 | 0 | 110.2 | ||
| 165 | E | 55.9 | Low | 56 | Low | 192 Ų | 192 | 128 Ų | 128 | 90% | 0.897 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 145.2 | 173.5 | -70.1 | -113.8 | 107.7 | 0 | 0 | 112.1 | P163 | P163-E165 PolarHBondContact O-N 3.48Š|
| 166 | A | 47.9 | Very low | 55.2 | Low | 102 Ų | 102 | 129.5 Ų | 129.5 | 84% | 0.843 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 134.2 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 167 | S | 55.5 | Low | 54.2 | Low | 114 Ų | 114 | 127.1 Ų | 127.1 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | trans | -172.6 | 129.8 | 146.5 | 51 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 168 | S | 55.4 | Low | 53.3 | Low | 109 Ų | 109 | 128.8 Ų | 128.8 | 76% | 0.762 | 79% | 0.793 | S | S | * | * | cis | -151.4 | 128.8 | 28.7 | -81.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 169 | T | 49.5 | Very low | 52.4 | Low | 127 Ų | 127 | 135.1 Ų | 135.1 | 78% | 0.779 | 80% | 0.801 | S | S | * | * | trans | 14.7 | 116.4 | 130.3 | -41 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 170 | C | 40 | Very low | 51.7 | Low | 109 Ų | 109 | 131.3 Ų | 131.3 | 74% | 0.736 | 80% | 0.8 | S | S | * | * | -162.8 | 108.9 | 101.7 | 43.3 | 0 | 0 | 0 | 0 | 107.7 | |||||
| 171 | C | 37.5 | Very low | 51.6 | Low | 96 Ų | 96 | 131 Ų | 131 | 65% | 0.649 | 81% | 0.805 | S | S | * | * | 24.6 | 151.4 | 100.8 | 51.6 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 172 | W | 46.6 | Very low | 50.8 | Low | 223 Ų | 223 | 126.3 Ų | 126.3 | 85% | 0.845 | 80% | 0.797 | S | S | * | * | cis | -161.3 | 118.4 | 37 | 11.5 | -67 | 0 | 0 | 0 | 106.4 | ||||
| 173 | T | 48.6 | Very low | 49.7 | Very low | 122 Ų | 122 | 127.3 Ų | 127.3 | 75% | 0.748 | 80% | 0.802 | S | S | * | * | 52.6 | 114.3 | 105.9 | -46 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 174 | T | 49 | Very low | 49.1 | Very low | 139 Ų | 139 | 127.4 Ų | 127.4 | 85% | 0.853 | 80% | 0.8 | S | S | * | * | -169.8 | 130.5 | 114.7 | -70.8 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 175 | S | 50.5 | Low | 48.1 | Very low | 96 Ų | 96 | 127.4 Ų | 127.4 | 67% | 0.671 | 80% | 0.8 | S | S | * | * | trans | -64.2 | 146.7 | -175.1 | -45.1 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 176 | T | 50 | Low | 47.4 | Very low | 149 Ų | 149 | 124.5 Ų | 124.5 | 91% | 0.914 | 80% | 0.796 | S | S | * | * | 158.9 | 115.5 | 119.2 | 32.3 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 177 | G | 46.8 | Very low | 47.2 | Very low | 64 Ų | 64 | 124.5 Ų | 124.5 | 66% | 0.66 | 79% | 0.788 | S | S | * | * | 146.7 | 128.7 | 92.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 178 | T | 50.4 | Low | 46.7 | Very low | 142 Ų | 142 | 125.4 Ų | 125.4 | 87% | 0.871 | 79% | 0.793 | S | S | * | * | trans | 68.4 | 96.4 | 150.9 | 66.1 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 179 | R | 44.6 | Very low | 46.4 | Very low | 257 Ų | 257 | 127.1 Ų | 127.1 | 97% | 0.97 | 79% | 0.794 | S | S | * | * | 30.8 | 113.4 | 128.4 | -66.5 | -178.2 | 174.4 | -161.3 | -2 | 119.1 | |||||
| 180 | G | 40.6 | Very low | 46.5 | Very low | 82 Ų | 82 | 124.5 Ų | 124.5 | 85% | 0.845 | 79% | 0.792 | S | S | * | * | trans | -172.8 | 109.3 | 154.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 181 | A | 50.3 | Low | 47.2 | Very low | 113 Ų | 113 | 127.5 Ų | 127.5 | 93% | 0.934 | 79% | 0.793 | S | S | * | * | trans | -75.2 | 139.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 182 | G | 45 | Very low | 48.3 | Very low | 68 Ų | 68 | 128.9 Ų | 128.9 | 70% | 0.701 | 79% | 0.793 | S | S | * | * | trans | 152.1 | 91.8 | 164.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 183 | T | 44.8 | Very low | 49.1 | Very low | 127 Ų | 127 | 121 Ų | 121 | 78% | 0.779 | 77% | 0.768 | S | S | * | * | 65.6 | 120.5 | 128.6 | -44.5 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 184 | T | 53.9 | Low | 49.7 | Very low | 115 Ų | 115 | 121.4 Ų | 121.4 | 71% | 0.706 | 76% | 0.761 | S | S | * | * | trans | 94.9 | 130.2 | 158.7 | 71.8 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 185 | P | 47.1 | Very low | 50 | Low | 129 Ų | 129 | 119 Ų | 119 | 84% | 0.838 | 74% | 0.743 | S | S | * | * | trans | -86.2 | 112.5 | 173.3 | 33.8 | -26.9 | 0 | 0 | 0 | 109 | ||||
| 186 | T | 42.3 | Very low | 50.5 | Low | 132 Ų | 132 | 118.8 Ų | 118.8 | 81% | 0.81 | 74% | 0.742 | S | S | * | * | trans | -77.6 | 130.1 | 164.7 | 42 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 187 | C | 42.1 | Very low | 51.1 | Low | 102 Ų | 102 | 116.7 Ų | 116.7 | 69% | 0.689 | 72% | 0.724 | S | S | * | * | trans | -60.5 | 152.3 | -179.6 | 65 | 0 | 0 | 0 | 0 | 110.5 | D189 | C187-D189 VanDerWaalsContact C-N 3.29Å; C187-D189 PolarHBondContact O-N 3.36Å | ||
| 188 | C | 45.6 | Very low | 51.7 | Low | 132 Ų | 132 | 119.8 Ų | 119.8 | 89% | 0.892 | 72% | 0.719 | S | S | * | * | trans | -47.5 | 86.4 | 170.7 | 41.9 | 0 | 0 | 0 | 0 | 112.9 | G190 | C188-G190 PolarHBondContact O-N 3.19Š| ||
| 189 | D | 48.8 | Very low | 52 | Low | 145 Ų | 145 | 118.9 Ų | 118.9 | 78% | 0.775 | 71% | 0.709 | S | S | * | * | trans | -76.3 | 109 | 155.6 | -117.9 | -54.8 | 0 | 0 | 0 | 106.2 | C187 F191 | C187-D189 VanDerWaalsContact C-N 3.29Å; C187-D189 PolarHBondContact O-N 3.36Å; D189-F191 PolarHBondContact O-N 3.45Å | ||
| 190 | G | 52.9 | Low | 52.8 | Low | 73 Ų | 73 | 109.7 Ų | 109.7 | 75% | 0.753 | 68% | 0.678 | S | S | * | * | trans | -68.8 | 83.1 | 170.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | C188 L192 | C188-G190 PolarHBondContact O-N 3.19Å; G190-L192 VanDerWaalsContact C-N 3.29Å; G190-L192 PolarHBondContact O-N 2.98Å | ||
| 191 | F | 52.9 | Low | 53.7 | Low | 171 Ų | 171 | 110 Ų | 110 | 75% | 0.75 | 67% | 0.665 | S | S | * | * | trans | -71.2 | 94.8 | 160.9 | -170.7 | -100.9 | 0 | 0 | 0 | 106.9 | D189 D193 | D189-F191 PolarHBondContact O-N 3.45Å; F191-D193 VanDerWaalsContact C-N 3.28Å; F191-D193 HydrophobicContact CD1-CB 3.93Å; F191-D193 HydrophobicContact CE1-CB 3.71Å; F191-D193 WeakPolarHBondContact CE1-OD1 3.18Å; F191-D193 PolarHBondContact O-N 3.43Å; F191-D193 VanDerWaalsContact O-N 3.1Å | ||
| 192 | L | 61.7 | Low | 54.5 | Low | 125 Ų | 125 | 105.9 Ų | 105.9 | 65% | 0.654 | 63% | 0.634 | S | S | * | * | trans | -67.1 | 97.8 | 157.1 | -98.7 | 151.6 | 0 | 0 | 0 | 105.6 | G190 E194 I197 | G190-L192 VanDerWaalsContact C-N 3.29Å; G190-L192 PolarHBondContact O-N 2.98Å; L192-E194 VanDerWaalsContact C-N 3.28Å; L192-E194 PolarHBondContact O-N 3.41Å; L192-I197 HydrophobicContact CD2-CD1 3.44Å; L192-I197 VanDerWaalsContact CD2-CD1 3.44Å | ||
| 193 | D | 62.8 | Low | 55.5 | Low | 58 Ų | 58 | 107.3 Ų | 107.3 | 31% | 0.31 | 63% | 0.625 | S | S | . | * | trans | -61.3 | 96 | 165.4 | -173.2 | 48.4 | 0 | 0 | 0 | 107.3 | F191 D195 S196 | F191-D193 VanDerWaalsContact C-N 3.28Å; F191-D193 HydrophobicContact CD1-CB 3.93Å; F191-D193 HydrophobicContact CE1-CB 3.71Å; F191-D193 WeakPolarHBondContact CE1-OD1 3.18Å; F191-D193 PolarHBondContact O-N 3.43Å; F191-D193 VanDerWaalsContact O-N 3.1Å; D193-D195 PolarHBondContact O-N 3.26Å; D193-S196 WeakPolarHBondContact O-CB 3.32Å; D193-S196 PolarHBondContact O-N 3.12Å; D193-S196 PolarHBondContact OD2-N 3.34Å; D193-S196 PolarHBondContact OD2-OG 3.23Å | ||
| 194 | E | 61.3 | Low | 56.5 | Low | 130 Ų | 130 | 105.5 Ų | 105.5 | 61% | 0.607 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -61.2 | -24.2 | 178.9 | -89.5 | -159.3 | 102.3 | 0 | 0 | 111.3 | L192 S196 I197 F198 | L192-E194 VanDerWaalsContact C-N 3.28Å; L192-E194 PolarHBondContact O-N 3.41Å; E194-S196 PolarHBondContact O-N 3.46Å; E194-I197 PolarHBondContact O-N 3.45Å; E194-I197 VanDerWaalsContact O-N 3.16Å; E194-F198 PolarHBondContact O-N 3.15Å; E194-F198 WeakPolarHBondContact OE1-CE2 3.29Å |
| 195 | D | 56.6 | Low | 57.2 | Low | 89 Ų | 89 | 105.3 Ų | 105.3 | 48% | 0.476 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -62.1 | -27.3 | 174 | -66.7 | -32 | 0 | 0 | 0 | 112 | D193 | D193-D195 PolarHBondContact O-N 3.26Å |
| 196 | S | 60 | Low | 58.1 | Low | 92 Ų | 92 | 104.6 Ų | 104.6 | 64% | 0.643 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -85.6 | -20.7 | 177.1 | -66.5 | 0 | 0 | 0 | 0 | 114.2 | D193 E194 | D193-S196 WeakPolarHBondContact O-CB 3.32Å; D193-S196 PolarHBondContact O-N 3.12Å; D193-S196 PolarHBondContact OD2-N 3.34Å; D193-S196 PolarHBondContact OD2-OG 3.23Å; E194-S196 PolarHBondContact O-N 3.46Å |
| 197 | I | 62 | Low | 59.4 | Low | 105 Ų | 105 | 103.4 Ų | 103.4 | 54% | 0.538 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -88.8 | -31.3 | -178.7 | -101.9 | 176.2 | 0 | 0 | 0 | 112.8 | L192 E194 | L192-I197 HydrophobicContact CD2-CD1 3.44Å; L192-I197 VanDerWaalsContact CD2-CD1 3.44Å; E194-I197 PolarHBondContact O-N 3.45Å; E194-I197 VanDerWaalsContact O-N 3.16Å |
| 198 | F | 59 | Low | 60.6 | Low | 129 Ų | 129 | 100.9 Ų | 100.9 | 57% | 0.566 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100 | 5.9 | -172.7 | -76 | -70.8 | 0 | 0 | 0 | 114.7 | E194 M200 | E194-F198 PolarHBondContact O-N 3.15Å; E194-F198 WeakPolarHBondContact OE1-CE2 3.29Å; F198-M200 HydrophobicContact CB-CB 4.46Å; F198-M200 PolarHBondContact O-N 3.46Å; F198-M200 VanDerWaalsContact O-N 3.09Å |
| 199 | D | 57.9 | Low | 61.9 | Low | 122 Ų | 122 | 102.6 Ų | 102.6 | 65% | 0.652 | 55% | 0.55 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 46.1 | 41.9 | -171.9 | -148.9 | 4.8 | 0 | 0 | 0 | 110.4 | P201 G202 L203 | D199-P201 VanDerWaalsContact C-N 3.31Å; D199-G202 WeakPolarHBondContact O-CA 3.36Å; D199-G202 PolarHBondContact O-N 3.33Å; D199-L203 PolarHBondContact O-N 3.04Å |
| 200 | M | 60.5 | Low | 63.1 | Low | 64 Ų | 64 | 97.7 Ų | 97.7 | 32% | 0.315 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -59.5 | -31.3 | -168.1 | -146 | -77.5 | -43.2 | 0 | 0 | 113.1 | F198 G202 L203 I204 | F198-M200 HydrophobicContact CB-CB 4.46Å; F198-M200 PolarHBondContact O-N 3.46Å; F198-M200 VanDerWaalsContact O-N 3.09Å; M200-G202 VanDerWaalsContact C-N 3.3Å; M200-G202 PolarHBondContact O-N 3.15Å; M200-L203 PolarHBondContact O-N 3.42Å; M200-I204 HydrophobicContact CE-CD1 3.39Å; M200-I204 HydrophobicContact CE-CG1 4.28Å; M200-I204 PolarHBondContact O-N 2.77Å; M200-I204 VanDerWaalsContact O-N 3.15Å; M200-I204 HydrophobicContact SD-CD1 3.45Å; M200-I204 WeakPolarHBondContact SD-CD1 3.38Å; M200-I204 HydrophobicContact SD-CG1 3.77Å |
| 201 | P | 60.7 | Low | 64 | Low | 89 Ų | 89 | 102.2 Ų | 102.2 | 58% | 0.578 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -64.8 | -31.8 | 170.8 | 24.8 | -33.8 | 0 | 0 | 0 | 113.3 | D199 H205 | D199-P201 VanDerWaalsContact C-N 3.31Å; P201-H205 WeakPolarHBondContact O-CB 3.47Å; P201-H205 PolarHBondContact O-N 3.01Å; P201-H205 VanDerWaalsContact O-N 3.15Å |
| 202 | G | 66.7 | Low | 64.8 | Low | 27 Ų | 27 | 100.7 Ų | 100.7 | 28% | 0.278 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -66.3 | -44.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | D199 M200 I204 H205 D206 | D199-G202 WeakPolarHBondContact O-CA 3.36Å; D199-G202 PolarHBondContact O-N 3.33Å; M200-G202 VanDerWaalsContact C-N 3.3Å; M200-G202 PolarHBondContact O-N 3.15Å; G202-I204 PolarHBondContact O-N 3.08Å; G202-H205 PolarHBondContact O-N 3.41Å; G202-D206 PolarHBondContact O-N 3.17Å |
| 203 | L | 65.4 | Low | 64.9 | Low | 97 Ų | 97 | 100.8 Ų | 100.8 | 51% | 0.508 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64.6 | -40.4 | 179.7 | -174.4 | 64.6 | 0 | 0 | 0 | 112.7 | D199 M200 H205 D206 M207 | D199-L203 PolarHBondContact O-N 3.04Å; M200-L203 PolarHBondContact O-N 3.42Å; L203-H205 VanDerWaalsContact C-N 3.33Å; L203-D206 PolarHBondContact O-N 2.95Å; L203-M207 HydrophobicContact CG-CE 4.12Å; L203-M207 WeakPolarHBondContact O-CB 3.46Å; L203-M207 WeakPolarHBondContact O-CG 3.23Å; L203-M207 PolarHBondContact O-N 3.36Å |
| 204 | I | 66.5 | Low | 65 | Low | 89 Ų | 89 | 104 Ų | 104 | 46% | 0.456 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -65.3 | -39 | 174.9 | -68.4 | 176.2 | 0 | 0 | 0 | 110.7 | M200 G202 M207 A208 | M200-I204 HydrophobicContact CE-CD1 3.39Å; M200-I204 HydrophobicContact CE-CG1 4.28Å; M200-I204 PolarHBondContact O-N 2.77Å; M200-I204 VanDerWaalsContact O-N 3.15Å; M200-I204 HydrophobicContact SD-CD1 3.45Å; M200-I204 WeakPolarHBondContact SD-CD1 3.38Å; M200-I204 HydrophobicContact SD-CG1 3.77Å; G202-I204 PolarHBondContact O-N 3.08Å; I204-M207 HydrophobicContact CG1-CE 4.32Å; I204-A208 WeakPolarHBondContact O-CB 3.26Å; I204-A208 PolarHBondContact O-N 3.09Å |
| 205 | H | 67.4 | Low | 64.9 | Low | 112 Ų | 112 | 102.9 Ų | 102.9 | 52% | 0.519 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -64.1 | -46.9 | 176.8 | -155.8 | 77.2 | 0 | 0 | 0 | 110.9 | P201 G202 L203 M207 A208 W209 | P201-H205 WeakPolarHBondContact O-CB 3.47Å; P201-H205 PolarHBondContact O-N 3.01Å; P201-H205 VanDerWaalsContact O-N 3.15Å; G202-H205 PolarHBondContact O-N 3.41Å; L203-H205 VanDerWaalsContact C-N 3.33Å; H205-M207 PolarHBondContact O-N 2.81Å; H205-A208 PolarHBondContact O-N 3.15Å; H205-W209 AromaticContact CD2-CD1 3.62Å; H205-W209 AromaticContact CD2-NE1 3.33Å; H205-W209 PolarHBondContact CD2-NE1 3.05Å; H205-W209 VanDerWaalsContact CD2-NE1 3.33Å; H205-W209 AromaticContact CE1-NE1 3.77Å; H205-W209 AromaticContact NE2-CD1 3.7Å; H205-W209 AromaticContact NE2-CE2 3.98Å; H205-W209 AromaticContact NE2-NE1 2.97Å; H205-W209 PolarHBondContact NE2-NE1 3.1Å; H205-W209 PolarHBondContact O-N 3.07Å |
| 206 | D | 66.6 | Low | 65.2 | Low | 113 Ų | 113 | 104.4 Ų | 104.4 | 60% | 0.604 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -66.1 | -37.7 | 178.9 | -74.5 | -20.2 | 0 | 0 | 0 | 113.1 | G202 L203 W209 G210 | G202-D206 PolarHBondContact O-N 3.17Å; L203-D206 PolarHBondContact O-N 2.95Å; D206-W209 PolarHBondContact O-N 3.16Å; D206-G210 PolarHBondContact O-N 3.18Å |
| 207 | M | 69.8 | Low | 65.5 | Low | 107 Ų | 107 | 104.9 Ų | 104.9 | 53% | 0.527 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -65.1 | -40.8 | 173.3 | -75.6 | -170.8 | -62.8 | 0 | 0 | 112 | L203 I204 H205 W209 G210 M211 | L203-M207 HydrophobicContact CG-CE 4.12Å; L203-M207 WeakPolarHBondContact O-CB 3.46Å; L203-M207 WeakPolarHBondContact O-CG 3.23Å; L203-M207 PolarHBondContact O-N 3.36Å; I204-M207 HydrophobicContact CG1-CE 4.32Å; H205-M207 PolarHBondContact O-N 2.81Å; M207-W209 VanDerWaalsContact C-N 3.28Å; M207-W209 PolarHBondContact O-N 2.99Å; M207-G210 PolarHBondContact O-N 3.13Å; M207-G210 VanDerWaalsContact O-N 3.15Å; M207-M211 PolarHBondContact O-N 3.42Å |
| 208 | A | 67.3 | Low | 65.4 | Low | 49 Ų | 49 | 106.7 Ų | 106.7 | 41% | 0.405 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -63.2 | -37.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | I204 H205 M211 L212 | I204-A208 WeakPolarHBondContact O-CB 3.26Å; I204-A208 PolarHBondContact O-N 3.09Å; H205-A208 PolarHBondContact O-N 3.15Å; A208-M211 PolarHBondContact O-N 3.29Å; A208-L212 PolarHBondContact O-N 2.69Å |
| 209 | W | 73.1 | Confident | 65.1 | Low | 169 Ų | 169 | 103.8 Ų | 103.8 | 64% | 0.64 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -65.8 | -37.3 | 172.4 | -84.7 | 66.5 | 0 | 0 | 0 | 112.4 | H205 D206 M207 M211 L212 | H205-W209 AromaticContact CD2-CD1 3.62Å; H205-W209 AromaticContact CD2-NE1 3.33Å; H205-W209 PolarHBondContact CD2-NE1 3.05Å; H205-W209 VanDerWaalsContact CD2-NE1 3.33Å; H205-W209 AromaticContact CE1-NE1 3.77Å; H205-W209 AromaticContact NE2-CD1 3.7Å; H205-W209 AromaticContact NE2-CE2 3.98Å; H205-W209 AromaticContact NE2-NE1 2.97Å; H205-W209 PolarHBondContact NE2-NE1 3.1Å; H205-W209 PolarHBondContact O-N 3.07Å; D206-W209 PolarHBondContact O-N 3.16Å; M207-W209 VanDerWaalsContact C-N 3.28Å; M207-W209 PolarHBondContact O-N 2.99Å; W209-M211 VanDerWaalsContact C-N 3.34Å; W209-M211 PolarHBondContact O-N 3.23Å; W209-L212 PolarHBondContact O-N 3.48Å |
| 210 | G | 73.6 | Confident | 64.8 | Low | 42 Ų | 42 | 110.2 Ų | 110.2 | 43% | 0.433 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -64 | -34.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | D206 M207 L213 | D206-G210 PolarHBondContact O-N 3.18Å; M207-G210 PolarHBondContact O-N 3.13Å; M207-G210 VanDerWaalsContact O-N 3.15Å; G210-L213 WeakPolarHBondContact O-CD1 3.39Å; G210-L213 PolarHBondContact O-N 3.41Å |
| 211 | M | 72.2 | Confident | 64.3 | Low | 167 Ų | 167 | 110.5 Ų | 110.5 | 82% | 0.823 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -79.7 | -14.1 | 177.7 | -73.8 | -169.4 | 66 | 0 | 0 | 114.2 | M207 A208 W209 L213 | M207-M211 PolarHBondContact O-N 3.42Å; A208-M211 PolarHBondContact O-N 3.29Å; W209-M211 VanDerWaalsContact C-N 3.34Å; W209-M211 PolarHBondContact O-N 3.23Å; M211-L213 VanDerWaalsContact C-N 3.27Å |
| 212 | L | 68.8 | Low | 63.9 | Low | 140 Ų | 140 | 111.8 Ų | 111.8 | 73% | 0.733 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.4 | -5.6 | 171 | -77.1 | 167.4 | 0 | 0 | 0 | 113 | A208 W209 T214 | A208-L212 PolarHBondContact O-N 2.69Å; W209-L212 PolarHBondContact O-N 3.48Å; L212-T214 PolarHBondContact O-N 3.11Å |
| 213 | L | 63.8 | Low | 63.4 | Low | 127 Ų | 127 | 116.6 Ų | 116.6 | 67% | 0.665 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -64 | 119.7 | 163.3 | -82.3 | 112.7 | 0 | 0 | 0 | 108.8 | G210 M211 P215 | G210-L213 WeakPolarHBondContact O-CD1 3.39Å; G210-L213 PolarHBondContact O-N 3.41Å; M211-L213 VanDerWaalsContact C-N 3.27Å; L213-P215 WeakPolarHBondContact O-CD 3.49Å; L213-P215 VanDerWaalsContact O-N 3.13Å |
| 214 | T | 66.4 | Low | 63.3 | Low | 126 Ų | 126 | 123 Ų | 123 | 77% | 0.773 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -50.5 | 120.3 | 167 | -55.2 | 0 | 0 | 0 | 0 | 107.8 | L212 | L212-T214 PolarHBondContact O-N 3.11Š|
| 215 | P | 59.3 | Low | 62.7 | Low | 105 Ų | 105 | 122 Ų | 122 | 68% | 0.682 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 139.6 | 175.8 | 19.4 | -29.5 | 0 | 0 | 0 | 108.7 | L213 A217 | L213-P215 WeakPolarHBondContact O-CD 3.49Å; L213-P215 VanDerWaalsContact O-N 3.13Å; P215-A217 PolarHBondContact O-N 3.06Å |
| 216 | P | 61.7 | Low | 62 | Low | 121 Ų | 121 | 119.9 Ų | 119.9 | 79% | 0.786 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -50.7 | 130.1 | 179.1 | 19.7 | -31.2 | 0 | 0 | 0 | 109.1 | M218 | P216-M218 PolarHBondContact O-N 3.08Š|
| 217 | A | 67.3 | Low | 61.3 | Low | 102 Ų | 102 | 122.9 Ų | 122.9 | 84% | 0.843 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -51.3 | 117 | -179 | 0 | 0 | 0 | 0 | 0 | 109 | P215 G219 | P215-A217 PolarHBondContact O-N 3.06Å; A217-G219 PolarHBondContact O-N 3.42Å |
| 218 | M | 58.5 | Low | 60.5 | Low | 144 Ų | 144 | 124.7 Ų | 124.7 | 71% | 0.709 | 71% | 0.714 | S | S | * | * | trans | -63.8 | 106.4 | 178.2 | -149.7 | 170.6 | -70.7 | 0 | 0 | 106.7 | P216 R220 L222 | P216-M218 PolarHBondContact O-N 3.08Å; M218-R220 PolarHBondContact O-N 2.93Å; M218-L222 HydrophobicContact CG-CD1 4.14Å; M218-L222 HydrophobicContact SD-CB 4.31Å; M218-L222 HydrophobicContact SD-CD1 3.68Å | ||
| 219 | G | 53.1 | Low | 59.9 | Low | 68 Ų | 68 | 129.1 Ų | 129.1 | 70% | 0.701 | 73% | 0.731 | S | S | * | * | trans | -53.9 | 118.3 | 167.5 | 0 | 0 | 0 | 0 | 0 | 107.4 | A217 G221 | A217-G219 PolarHBondContact O-N 3.42Å; G219-G221 PolarHBondContact O-N 2.94Å; G219-G221 VanDerWaalsContact O-N 3.16Å | ||
| 220 | R | 51.7 | Low | 59.2 | Low | 257 Ų | 257 | 127.9 Ų | 127.9 | 97% | 0.97 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -30.6 | 116.1 | 178.8 | -76.1 | 176.9 | 167.2 | -125.2 | 0.1 | 111.2 | M218 | M218-R220 PolarHBondContact O-N 2.93Š|
| 221 | G | 50.3 | Low | 58.4 | Low | 70 Ų | 70 | 133 Ų | 133 | 72% | 0.722 | 76% | 0.755 | S | S | * | * | trans | 167.9 | -7.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 118.3 | G219 | G219-G221 PolarHBondContact O-N 2.94Å; G219-G221 VanDerWaalsContact O-N 3.16Å | ||
| 222 | L | 52 | Low | 57.7 | Low | 115 Ų | 115 | 131.5 Ų | 131.5 | 60% | 0.602 | 75% | 0.75 | S | S | * | * | trans | -98.8 | 93.9 | 175 | -69 | 166.9 | 0 | 0 | 0 | 109.5 | M218 | M218-L222 HydrophobicContact CG-CD1 4.14Å; M218-L222 HydrophobicContact SD-CB 4.31Å; M218-L222 HydrophobicContact SD-CD1 3.68Å | ||
| 223 | D | 56.9 | Low | 57.1 | Low | 128 Ų | 128 | 133.4 Ų | 133.4 | 68% | 0.684 | 76% | 0.755 | S | S | * | * | trans | -85.8 | 113.4 | 170.4 | -175.3 | 11.7 | 0 | 0 | 0 | 108.9 | G225 | D223-G225 PolarHBondContact OD1-N 3.04Š| ||
| 224 | W | 63.3 | Low | 56.7 | Low | 233 Ų | 233 | 132 Ų | 132 | 88% | 0.883 | 76% | 0.755 | S | S | * | * | trans | -111.3 | 15.4 | 173.3 | -68.7 | 105.5 | 0 | 0 | 0 | 111.2 | ||||
| 225 | G | 52.6 | Low | 56.1 | Low | 67 Ų | 67 | 133.7 Ų | 133.7 | 69% | 0.691 | 75% | 0.754 | S | S | * | * | trans | -114.9 | 8.3 | -162.7 | 0 | 0 | 0 | 0 | 0 | 117.3 | D223 | D223-G225 PolarHBondContact OD1-N 3.04Š| ||
| 226 | A | 53.5 | Low | 56.1 | Low | 68 Ų | 68 | 133.5 Ų | 133.5 | 56% | 0.562 | 75% | 0.751 | S | S | * | * | trans | -132.2 | 80.8 | -174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 227 | L | 51.2 | Low | 55.7 | Low | 176 Ų | 176 | 133.6 Ų | 133.6 | 92% | 0.921 | 75% | 0.745 | S | S | * | * | trans | -152.6 | 90.1 | 148.5 | -103.7 | 160.2 | 0 | 0 | 0 | 106.1 | ||||
| 228 | D | 54.8 | Low | 55.1 | Low | 144 Ų | 144 | 135.3 Ų | 135.3 | 77% | 0.77 | 75% | 0.749 | S | S | * | * | trans | -47.6 | 148.3 | 170.7 | -70.6 | -104.7 | 0 | 0 | 0 | 113 | ||||
| 229 | D | 54.5 | Low | 55.3 | Low | 142 Ų | 142 | 132.8 Ų | 132.8 | 76% | 0.759 | 74% | 0.742 | S | S | * | * | trans | -26 | 137 | 153.6 | -73.2 | -101.8 | 0 | 0 | 0 | 114.4 | ||||
| 230 | D | 58.4 | Low | 55.4 | Low | 143 Ų | 143 | 136.6 Ų | 136.6 | 77% | 0.765 | 75% | 0.745 | S | S | * | * | 169.5 | 148.8 | 120.5 | -82.3 | -41 | 0 | 0 | 0 | 110.2 | |||||
| 231 | D | 57.1 | Low | 56.2 | Low | 150 Ų | 150 | 135.4 Ų | 135.4 | 80% | 0.802 | 74% | 0.741 | S | S | * | * | trans | 78.9 | 91.1 | 160.9 | -63.9 | -57.6 | 0 | 0 | 0 | 119.8 | ||||
| 232 | D | 57.6 | Low | 56.3 | Low | 136 Ų | 136 | 136.9 Ų | 136.9 | 73% | 0.727 | 74% | 0.736 | S | S | * | * | 25.8 | 109.8 | 113.3 | -134.8 | -60 | 0 | 0 | 0 | 116.1 | |||||
| 233 | H | 55.4 | Low | 56.8 | Low | 180 Ų | 180 | 140 Ų | 140 | 83% | 0.833 | 75% | 0.753 | S | S | * | * | trans | -166.1 | 121.5 | 135.9 | -88.4 | -39.5 | 0 | 0 | 0 | 112.4 | ||||
| 234 | S | 55 | Low | 56.5 | Low | 97 Ų | 97 | 141.5 Ų | 141.5 | 68% | 0.678 | 76% | 0.761 | S | S | * | * | trans | -32.9 | 159.6 | 161.1 | 57.7 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 235 | H | 54.5 | Low | 56.1 | Low | 162 Ų | 162 | 137.3 Ų | 137.3 | 75% | 0.75 | 79% | 0.79 | S | S | * | * | trans | 77.1 | 118.7 | 148.3 | -146.1 | 25.7 | 0 | 0 | 0 | 112 | ||||
| 236 | V | 59.7 | Low | 56.3 | Low | 100 Ų | 100 | 140.9 Ų | 140.9 | 61% | 0.606 | 80% | 0.795 | S | S | * | * | -177.2 | 138.4 | 64.1 | -97.2 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 237 | D | 53.4 | Low | 56.4 | Low | 124 Ų | 124 | 144.7 Ų | 144.7 | 66% | 0.663 | 81% | 0.807 | S | S | * | * | trans | 64.8 | 98.2 | 138.8 | -53.6 | -29 | 0 | 0 | 0 | 121.5 | T239 | D237-T239 VanDerWaalsContact C-N 3.35Å; D237-T239 PolarHBondContact O-N 3.18Å | ||
| 238 | C | 54.7 | Low | 56.7 | Low | 137 Ų | 137 | 142.9 Ų | 142.9 | 93% | 0.926 | 80% | 0.801 | S | S | * | * | trans | -61 | 89.1 | 143.8 | -62.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 239 | T | 61 | Low | 56.8 | Low | 92 Ų | 92 | 142.9 Ų | 142.9 | 56% | 0.564 | 80% | 0.803 | S | S | * | * | trans | -142.3 | 63.2 | 166.1 | 24.8 | 0 | 0 | 0 | 0 | 110.9 | D237 W241 | D237-T239 VanDerWaalsContact C-N 3.35Å; D237-T239 PolarHBondContact O-N 3.18Å; T239-W241 PolarHBondContact O-N 3.41Å | ||
| 240 | L | 56.8 | Low | 56.9 | Low | 148 Ų | 148 | 142.9 Ų | 142.9 | 78% | 0.775 | 81% | 0.805 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.8 | -0.8 | 178.2 | -158.4 | 78 | 0 | 0 | 0 | 113.9 | ||
| 241 | W | 68.5 | Low | 56.8 | Low | 231 Ų | 231 | 142.9 Ų | 142.9 | 88% | 0.875 | 81% | 0.808 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -143.4 | 27.8 | -172.4 | -60.4 | 102.1 | 0 | 0 | 0 | 116.2 | T239 | T239-W241 PolarHBondContact O-N 3.41Š|
| 242 | T | 51.7 | Low | 56.8 | Low | 102 Ų | 102 | 142.4 Ų | 142.4 | 63% | 0.626 | 81% | 0.808 | S | S | * | * | trans | -131 | 96.6 | 179.4 | -11.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 243 | L | 61.5 | Low | 56.8 | Low | 180 Ų | 180 | 142.9 Ų | 142.9 | 94% | 0.942 | 82% | 0.815 | S | S | * | * | trans | -133.8 | 95.9 | 146.9 | -136.5 | 91 | 0 | 0 | 0 | 107.8 | ||||
| 244 | D | 51.8 | Low | 56.9 | Low | 160 Ų | 160 | 139.8 Ų | 139.8 | 86% | 0.856 | 81% | 0.813 | S | S | * | * | trans | -74 | 146.7 | 154.8 | -174.2 | 52.1 | 0 | 0 | 0 | 107.9 | ||||
| 245 | G | 54 | Low | 57 | Low | 145 Ų | 145 | 143.7 Ų | 143.7 | 100% | 1.495 | 83% | 0.825 | S | S | * | * | trans | 135.9 | 0 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.7 |
Retrieved 245 of 245 residues in 96.4 ms
(Link to these results)