| 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 | 45.6 | Very low | 48.5 | Very low | 248 Ų | 248 | 120.2 Ų | 120.2 | 100% | 1.222 | 83% | 0.829 | S | S | * | * | 0 | 133.8 | 0 | -58 | 170.3 | -174.7 | 0 | 0 | 106.6 | |||||
| 2 | A | 44.8 | Very low | 47.3 | Very low | 107 Ų | 107 | 117.8 Ų | 117.8 | 88% | 0.884 | 82% | 0.822 | S | S | * | * | cis | -99.6 | -172.8 | -4 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 3 | A | 40.6 | Very low | 46.3 | Very low | 96 Ų | 96 | 116.5 Ų | 116.5 | 79% | 0.793 | 82% | 0.823 | S | S | * | * | trans | -145 | 166.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 4 | A | 41.3 | Very low | 45.7 | Very low | 101 Ų | 101 | 114.8 Ų | 114.8 | 84% | 0.835 | 82% | 0.819 | S | S | * | * | trans | 62.8 | 110.7 | 166.4 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 5 | A | 45.1 | Very low | 44.9 | Very low | 93 Ų | 93 | 115.3 Ų | 115.3 | 77% | 0.769 | 82% | 0.822 | S | S | * | * | trans | -93.8 | -160.8 | 137.3 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 6 | P | 62.4 | Low | 44.1 | Very low | 120 Ų | 120 | 112.7 Ų | 112.7 | 78% | 0.779 | 82% | 0.818 | S | S | * | * | cis | -127.6 | 173.2 | -25.9 | 39.7 | -26.3 | 0 | 0 | 0 | 112.5 | ||||
| 7 | S | 45 | Very low | 43.7 | Very low | 126 Ų | 126 | 113.3 Ų | 113.3 | 88% | 0.881 | 82% | 0.82 | S | S | * | * | trans | -168.8 | 155.2 | 149.4 | 50.4 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 8 | A | 42.2 | Very low | 43 | Very low | 88 Ų | 88 | 112.7 Ų | 112.7 | 73% | 0.727 | 82% | 0.822 | S | S | * | * | trans | -148.2 | -171 | 164.8 | 0 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 9 | P | 57.5 | Low | 42.5 | Very low | 123 Ų | 123 | 111.5 Ų | 111.5 | 80% | 0.799 | 82% | 0.818 | S | S | * | * | cis | -117.2 | -98 | -16.2 | 16.7 | 6.1 | 0 | 0 | 0 | 116.8 | ||||
| 10 | P | 56.9 | Low | 42 | Very low | 109 Ų | 109 | 111.1 Ų | 111.1 | 71% | 0.708 | 82% | 0.82 | S | S | * | * | -119.4 | -145.2 | -129.2 | 44.4 | -26.2 | 0 | 0 | 0 | 111.6 | |||||
| 11 | P | 52.4 | Low | 41.5 | Very low | 111 Ų | 111 | 110.2 Ų | 110.2 | 72% | 0.721 | 82% | 0.817 | S | S | * | * | cis | -138.2 | 176.6 | -14.3 | 41.6 | -23.5 | 0 | 0 | 0 | 117 | ||||
| 12 | A | 34.1 | Very low | 41 | Very low | 91 Ų | 91 | 103 Ų | 103 | 75% | 0.752 | 80% | 0.797 | S | S | * | * | trans | 50 | 160 | 136.8 | 0 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 13 | A | 34.1 | Very low | 40.4 | Very low | 101 Ų | 101 | 105.5 Ų | 105.5 | 84% | 0.835 | 79% | 0.79 | S | S | * | * | trans | 70.9 | 153.4 | 154.6 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 14 | A | 37.4 | Very low | 40 | Very low | 93 Ų | 93 | 106.1 Ų | 106.1 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | cis | -160.2 | 175.9 | -20.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 15 | S | 34.9 | Very low | 39.9 | Very low | 123 Ų | 123 | 106.2 Ų | 106.2 | 86% | 0.86 | 78% | 0.779 | S | S | * | * | trans | -63.6 | 148.7 | 176.1 | 52 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 16 | G | 32 | Very low | 39.9 | Very low | 73 Ų | 73 | 107.3 Ų | 107.3 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | trans | -168.5 | 151.6 | 165.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 17 | S | 35.9 | Very low | 39.2 | Very low | 123 Ų | 123 | 108 Ų | 108 | 86% | 0.86 | 79% | 0.785 | S | S | * | * | trans | -146.3 | 166.5 | 179.8 | -67.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 18 | A | 32.8 | Very low | 38.7 | Very low | 103 Ų | 103 | 105.8 Ų | 105.8 | 85% | 0.851 | 78% | 0.782 | S | S | * | * | trans | 70.5 | 157.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 19 | A | 32.1 | Very low | 38.6 | Very low | 90 Ų | 90 | 105.3 Ų | 105.3 | 74% | 0.744 | 79% | 0.787 | S | S | * | * | cis | -171.5 | 168.1 | -27.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 20 | A | 32.5 | Very low | 37.8 | Very low | 103 Ų | 103 | 105.4 Ų | 105.4 | 85% | 0.851 | 79% | 0.79 | S | S | * | * | trans | 67.4 | 156.5 | 165.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 21 | A | 32.7 | Very low | 37.4 | Very low | 92 Ų | 92 | 106.1 Ų | 106.1 | 76% | 0.76 | 80% | 0.798 | S | S | * | * | cis | -169.2 | 171.5 | -23.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 22 | A | 34.8 | Very low | 36.8 | Very low | 98 Ų | 98 | 106 Ų | 106 | 81% | 0.81 | 80% | 0.799 | S | S | * | * | trans | 65.6 | 143.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 23 | E | 31.3 | Very low | 37.2 | Very low | 159 Ų | 159 | 106.6 Ų | 106.6 | 74% | 0.743 | 80% | 0.798 | S | S | * | * | cis | -152.1 | -161.6 | -2.6 | -114.9 | -71 | 83.1 | 0 | 0 | 106.2 | ||||
| 24 | T | 31.6 | Very low | 38 | Very low | 109 Ų | 109 | 109 Ų | 109 | 67% | 0.669 | 80% | 0.803 | S | S | * | * | cis | -156.2 | 154.3 | 16.2 | -30.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 25 | S | 40.2 | Very low | 38.1 | Very low | 102 Ų | 102 | 108.7 Ų | 108.7 | 71% | 0.713 | 80% | 0.8 | S | S | * | * | trans | 51.2 | 113.6 | 151.1 | 58.3 | 0 | 0 | 0 | 0 | 122 | ||||
| 26 | S | 44.3 | Very low | 38.4 | Very low | 116 Ų | 116 | 107.2 Ų | 107.2 | 81% | 0.811 | 80% | 0.795 | S | S | * | * | trans | -70.6 | 167.6 | 149.5 | -38.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 27 | P | 49.3 | Very low | 39 | Very low | 134 Ų | 134 | 112 Ų | 112 | 87% | 0.87 | 80% | 0.804 | S | S | * | * | -149.7 | -179.1 | 81.7 | 41.2 | -23.9 | 0 | 0 | 0 | 115.2 | |||||
| 28 | G | 32.8 | Very low | 39.2 | Very low | 80 Ų | 80 | 108.5 Ų | 108.5 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | trans | 110.7 | 92.9 | 164.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 29 | G | 40.8 | Very low | 39.7 | Very low | 79 Ų | 79 | 107 Ų | 107 | 81% | 0.814 | 78% | 0.781 | S | S | * | * | trans | -92.5 | 155.1 | 171 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 30 | S | 40.8 | Very low | 40.4 | Very low | 124 Ų | 124 | 106.8 Ų | 106.8 | 87% | 0.867 | 77% | 0.774 | S | S | * | * | trans | -131.3 | 123.5 | 168.1 | -77 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 31 | S | 47.7 | Very low | 41.1 | Very low | 125 Ų | 125 | 110.9 Ų | 110.9 | 87% | 0.874 | 78% | 0.776 | S | S | * | * | trans | -92.6 | 114.4 | 178.7 | 53.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 32 | S | 41.2 | Very low | 42 | Very low | 108 Ų | 108 | 112 Ų | 112 | 76% | 0.755 | 77% | 0.769 | S | S | * | * | trans | -154.5 | 144.1 | 164.7 | 52.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 33 | S | 42.2 | Very low | 43.1 | Very low | 103 Ų | 103 | 112.1 Ų | 112.1 | 72% | 0.72 | 76% | 0.764 | S | S | * | * | cis | -162.9 | 136.1 | -18.2 | 42.7 | 0 | 0 | 0 | 0 | 108.8 | A35 | S33-A35 PolarHBondContact O-N 3.22Š| ||
| 34 | T | 51.2 | Low | 44.9 | Very low | 152 Ų | 152 | 108.3 Ų | 108.3 | 93% | 0.933 | 75% | 0.751 | S | S | * | * | trans | -72.4 | 108.2 | 170.1 | 46.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 35 | A | 38.6 | Very low | 47.3 | Very low | 87 Ų | 87 | 107.2 Ų | 107.2 | 72% | 0.719 | 74% | 0.738 | S | S | * | * | trans | -149.9 | 125 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | S33 | S33-A35 PolarHBondContact O-N 3.22Š| ||
| 36 | A | 42.1 | Very low | 49.5 | Very low | 91 Ų | 91 | 107.3 Ų | 107.3 | 75% | 0.752 | 73% | 0.727 | S | S | * | * | trans | 38.2 | 100 | 159.3 | 0 | 0 | 0 | 0 | 0 | 118.4 | G38 | A36-G38 PolarHBondContact O-N 2.94Š| ||
| 37 | D | 44.4 | Very low | 51.7 | Low | 175 Ų | 175 | 101.8 Ų | 101.8 | 94% | 0.936 | 69% | 0.688 | S | S | * | * | -60.5 | 84.9 | 126.4 | 175.4 | 27 | 0 | 0 | 0 | 107.3 | |||||
| 38 | G | 40.3 | Very low | 53.6 | Low | 49 Ų | 49 | 99 Ų | 99 | 51% | 0.505 | 67% | 0.666 | S | S | . | * | trans | -116.7 | 90.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 107.7 | A36 S40 | A36-G38 PolarHBondContact O-N 2.94Å; G38-S40 PolarHBondContact O-N 3.05Å | ||
| 39 | G | 42.4 | Very low | 56.3 | Low | 70 Ų | 70 | 98.3 Ų | 98.3 | 72% | 0.722 | 64% | 0.642 | S | S | * | * | trans | -67.5 | 67.3 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q41 | G39-Q41 VanDerWaalsContact C-N 3.27Å; G39-Q41 PolarHBondContact O-N 2.73Å | ||
| 40 | S | 47.3 | Very low | 58.6 | Low | 86 Ų | 86 | 97.2 Ų | 97.2 | 60% | 0.601 | 62% | 0.622 | S | S | * | * | trans | -65.8 | 98.8 | 146.5 | 63.1 | 0 | 0 | 0 | 0 | 106.9 | G38 D42 | G38-S40 PolarHBondContact O-N 3.05Å; S40-D42 WeakPolarHBondContact CB-OD2 3.43Å; S40-D42 PolarHBondContact O-N 2.73Å; S40-D42 PolarHBondContact OG-OD2 2.96Å | ||
| 41 | Q | 47.7 | Very low | 60.9 | Low | 190 Ų | 190 | 97.5 Ų | 97.5 | 89% | 0.888 | 61% | 0.613 | S | S | * | * | trans | -69.8 | 64.3 | 156.2 | -72.5 | -177.5 | 91.5 | 0 | 0 | 107.9 | G39 S43 | G39-Q41 VanDerWaalsContact C-N 3.27Å; G39-Q41 PolarHBondContact O-N 2.73Å; Q41-S43 VanDerWaalsContact C-N 3.32Å; Q41-S43 PolarHBondContact O-N 3.28Å | ||
| 42 | D | 51.6 | Low | 62.8 | Low | 115 Ų | 115 | 95 Ų | 95 | 62% | 0.615 | 59% | 0.59 | S | S | * | * | trans | -57.4 | 104 | 159.6 | -73.2 | -60.7 | 0 | 0 | 0 | 105.4 | S40 T44 | S40-D42 WeakPolarHBondContact CB-OD2 3.43Å; S40-D42 PolarHBondContact O-N 2.73Å; S40-D42 PolarHBondContact OG-OD2 2.96Å; D42-T44 PolarHBondContact O-N 2.82Å | ||
| 43 | S | 57.7 | Low | 65 | Low | 101 Ų | 101 | 92 Ų | 92 | 71% | 0.706 | 57% | 0.567 | S | S | * | * | trans | -73.5 | 70.2 | -178.2 | 44.4 | 0 | 0 | 0 | 0 | 109.5 | Q41 F45 | Q41-S43 VanDerWaalsContact C-N 3.32Å; Q41-S43 PolarHBondContact O-N 3.28Å; S43-F45 PolarHBondContact O-N 2.68Å; S43-F45 VanDerWaalsContact O-N 3.13Å | ||
| 44 | T | 70.1 | Confident | 66.9 | Low | 79 Ų | 79 | 87.4 Ų | 87.4 | 49% | 0.485 | 54% | 0.536 | S | S | . | . | trans | -51.4 | 119.5 | 171.9 | 46.3 | 0 | 0 | 0 | 0 | 107.8 | D42 E46 | D42-T44 PolarHBondContact O-N 2.82Å; T44-E46 PolarHBondContact O-N 3.24Å | ||
| 45 | F | 80.3 | Confident | 68.4 | Low | 86 Ų | 86 | 86.4 Ų | 86.4 | 38% | 0.377 | 52% | 0.518 | S | S | . | . | trans | -65.9 | 102 | -174.2 | -65.2 | -70.4 | 0 | 0 | 0 | 109.1 | S43 A54 L65 L99 | S43-F45 PolarHBondContact O-N 2.68Å; S43-F45 VanDerWaalsContact O-N 3.13Å; F45-A54 HydrophobicContact CB-CB 4.37Å; F45-A54 WeakPolarHBondContact O-CA 3.39Å; F45-A54 WeakPolarHBondContact O-CB 3.5Å; F45-A54 PolarHBondContact O-N 2.89Å; F45-L65 HydrophobicContact CB-CD1 3.78Å; F45-L65 HydrophobicContact CB-CD2 3.89Å; F45-L65 HydrophobicContact CD1-CD1 3.58Å; F45-L65 HydrophobicContact CE1-CD1 4.49Å; F45-L65 HydrophobicContact CG-CD1 3.96Å; F45-L99 HydrophobicContact CE1-CD1 4.27Å | ||
| 46 | E | 87.1 | Confident | 70.6 | Confident | 103 Ų | 103 | 88 Ų | 88 | 48% | 0.481 | 51% | 0.514 | S | S | . | . | B | Isolated β-bridge | trans | -81.6 | 134.6 | -177.4 | -161.8 | -167.5 | 138.9 | 0 | 0 | 111.3 | T44 L51 L65 | T44-E46 PolarHBondContact O-N 3.24Å; E46-L51 WeakPolarHBondContact OE1-CA 3.44Å; E46-L51 WeakPolarHBondContact OE1-CD2 3.41Å; E46-L65 WeakPolarHBondContact O-CD2 3.15Å |
| 47 | C | 90 | Very high | 72.8 | Confident | 0 Ų | 0 | 84 Ų | 84 | 0% | 0 | 48% | 0.482 | C | S | . | . | trans | -83.3 | 116.5 | 175.7 | 171.6 | 0 | 0 | 0 | 0 | 111.6 | I49 C50 L51 D52 A54 C67 | C47-I49 PolarHBondContact O-N 3.27Å; C47-C50 WeakPolarHBondContact CB-SG 3.5Å; C47-C50 PolarHBondContact O-N 3.06Å; C47-L51 PolarHBondContact O-N 2.89Å; C47-D52 PolarHBondContact N-O 2.78Å; C47-A54 HydrophobicContact CB-CB 4.14Å; C47-C67 WeakPolarHBondContact CB-SG 3.45Å; C47-C67 PolarHBondContact SG-N 2.8Å; C47-C67 VanDerWaalsContact SG-SG 3.61Å | ||
| 48 | N | 89.2 | Confident | 75 | Confident | 76 Ų | 76 | 76 Ų | 76 | 41% | 0.406 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | 17.2 | 179.5 | -71.4 | -102.9 | 0 | 0 | 0 | 114.9 | L65 F66 V86 | N48-L65 PolarHBondContact N-O 3Å; N48-L65 PolarHBondContact ND2-O 3.48Å; N48-F66 HydrophobicContact CB-CD1 3.96Å; N48-F66 HydrophobicContact CB-CE1 3.59Å; N48-V86 HydrophobicContact CB-CG2 3.91Å |
| 49 | I | 89.4 | Confident | 77.4 | Confident | 65 Ų | 65 | 75.8 Ų | 75.8 | 33% | 0.333 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -125.7 | -38.6 | 175.4 | -65.6 | 163.6 | 0 | 0 | 0 | 111.4 | C47 F66 C70 P85 | C47-I49 PolarHBondContact O-N 3.27Å; I49-F66 HydrophobicContact CD1-CB 4.3Å; I49-F66 HydrophobicContact CD1-CD1 3.45Å; I49-F66 VanDerWaalsContact CD1-CD1 3.45Å; I49-F66 HydrophobicContact CD1-CE1 4.01Å; I49-F66 HydrophobicContact CD1-CG 4.04Å; I49-F66 HydrophobicContact CG1-CD1 3.62Å; I49-F66 HydrophobicContact CG1-CE1 3.95Å; I49-C70 HydrophobicContact CB-CB 3.96Å; I49-C70 HydrophobicContact CD1-CB 3.91Å; I49-C70 HydrophobicContact CG2-CB 3.86Å; I49-P85 HydrophobicContact CD1-CG 4.19Å; I49-P85 HydrophobicContact CG1-CG 4.1Å |
| 50 | C | 90 | Very high | 79.8 | Confident | 57 Ų | 57 | 72.5 Ų | 72.5 | 39% | 0.385 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.1 | -6.5 | -179.2 | 67.5 | 0 | 0 | 0 | 0 | 114.7 | C47 D52 | C47-C50 WeakPolarHBondContact CB-SG 3.5Å; C47-C50 PolarHBondContact O-N 3.06Å; C50-D52 PolarHBondContact O-N 2.82Å |
| 51 | L | 89.1 | Confident | 81.8 | Confident | 130 Ų | 130 | 73.9 Ų | 73.9 | 68% | 0.681 | 39% | 0.392 | S | S | * | . | S | Bend | trans | 53.6 | 41.2 | 177.9 | -47.6 | -179.4 | 0 | 0 | 0 | 112.5 | E46 C47 | E46-L51 WeakPolarHBondContact OE1-CA 3.44Å; E46-L51 WeakPolarHBondContact OE1-CD2 3.41Å; C47-L51 PolarHBondContact O-N 2.89Å |
| 52 | D | 87.8 | Confident | 83.9 | Confident | 72 Ų | 72 | 66.7 Ų | 66.7 | 39% | 0.385 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -139.8 | 165.3 | 179.9 | 179.8 | 30.1 | 0 | 0 | 0 | 108.7 | C47 C50 A54 K55 | C47-D52 PolarHBondContact N-O 2.78Å; C50-D52 PolarHBondContact O-N 2.82Å; D52-A54 PolarHBondContact O-N 3.13Å; D52-K55 IonicContact OD2-NZ 3.79Å; D52-K55 PolarHBondContact OD2-NZ 3.38Å |
| 53 | T | 85.8 | Confident | 85.8 | Confident | 44 Ų | 44 | 63.9 Ų | 63.9 | 27% | 0.27 | 36% | 0.36 | S | S | . | . | B | Isolated β-bridge | trans | -53.5 | 120.3 | 176.6 | -55 | 0 | 0 | 0 | 0 | 110.9 | K55 | T53-K55 PolarHBondContact O-N 3.41Å |
| 54 | A | 83.1 | Confident | 87.4 | Confident | 8 Ų | 8 | 61.3 Ų | 61.3 | 7% | 0.066 | 34% | 0.337 | C | S | . | . | trans | -70.5 | 106.2 | -169.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | F45 C47 D52 A57 L65 C67 | F45-A54 HydrophobicContact CB-CB 4.37Å; F45-A54 WeakPolarHBondContact O-CA 3.39Å; F45-A54 WeakPolarHBondContact O-CB 3.5Å; F45-A54 PolarHBondContact O-N 2.89Å; C47-A54 HydrophobicContact CB-CB 4.14Å; D52-A54 PolarHBondContact O-N 3.13Å; A54-A57 HydrophobicContact CB-CB 3.84Å; A54-L65 HydrophobicContact CB-CD2 3.53Å; A54-C67 VanDerWaalsContact CA-SG 3.59Å | ||
| 55 | K | 82.5 | Confident | 88.4 | Confident | 131 Ų | 131 | 58.3 Ų | 58.3 | 57% | 0.57 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | 128.5 | 168.5 | -66.3 | 138.4 | -173.4 | 155.5 | 0 | 108.4 | D52 T53 C67 | D52-K55 IonicContact OD2-NZ 3.79Å; D52-K55 PolarHBondContact OD2-NZ 3.38Å; T53-K55 PolarHBondContact O-N 3.41Å; K55-C67 WeakPolarHBondContact O-CA 3.25Å; K55-C67 VanDerWaalsContact O-CB 3.27Å; K55-C67 WeakPolarHBondContact O-CB 3.39Å |
| 56 | D | 85.5 | Confident | 89 | Confident | 119 Ų | 119 | 54.2 Ų | 54.2 | 64% | 0.636 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.8 | 60.2 | -170.1 | -57.7 | -46.1 | 0 | 0 | 0 | 111.9 | V58 W68 | D56-V58 PolarHBondContact O-N 2.78Å; D56-W68 HydrophobicContact CB-CB 3.86Å; D56-W68 WeakPolarHBondContact O-CB 3.39Å; D56-W68 PolarHBondContact O-N 2.88Å |
| 57 | A | 87.8 | Confident | 89.2 | Confident | 8 Ų | 8 | 49.6 Ų | 49.6 | 7% | 0.066 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.8 | 123.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | A54 L65 F66 L99 | A54-A57 HydrophobicContact CB-CB 3.84Å; A57-L65 HydrophobicContact CB-CD1 4.5Å; A57-L65 HydrophobicContact CB-CD2 4.19Å; A57-L65 HydrophobicContact CB-CG 4.5Å; A57-F66 WeakPolarHBondContact CA-O 3.27Å; A57-L99 HydrophobicContact CB-CB 4.31Å; A57-L99 PolarHBondContact O-N 3.03Å |
| 58 | V | 90.8 | Very high | 89.3 | Confident | 7 Ų | 7 | 53.8 Ų | 53.8 | 4% | 0.042 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 133.2 | 174.6 | -69.9 | 0 | 0 | 0 | 0 | 110.2 | D56 L65 F66 W68 L71 V96 P98 | D56-V58 PolarHBondContact O-N 2.78Å; V58-L65 WeakPolarHBondContact O-CA 3.43Å; V58-F66 HydrophobicContact CG2-CB 4.37Å; V58-F66 WeakPolarHBondContact CG2-O 3.33Å; V58-F66 PolarHBondContact N-O 3.32Å; V58-F66 PolarHBondContact O-N 3.12Å; V58-W68 HydrophobicContact CG1-CB 4.17Å; V58-W68 HydrophobicContact CG1-CE3 4.1Å; V58-W68 HydrophobicContact CG2-CB 4.49Å; V58-W68 HydrophobicContact CG2-CE3 4.46Å; V58-L71 HydrophobicContact CG2-CB 4.41Å; V58-L71 HydrophobicContact CG2-CD2 3.84Å; V58-V96 HydrophobicContact CB-CB 4.35Å; V58-V96 HydrophobicContact CB-CG2 4.47Å; V58-V96 HydrophobicContact CG1-CG2 4.38Å; V58-P98 HydrophobicContact CG1-CB 4.41Å |
| 59 | I | 91.6 | Very high | 89.4 | Confident | 45 Ų | 45 | 53.6 Ų | 53.6 | 23% | 0.231 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 132.6 | 170.7 | -77.9 | -170 | 0 | 0 | 0 | 109.9 | L65 V96 I97 L99 | I59-L65 HydrophobicContact CD1-CD1 4.21Å; I59-L65 HydrophobicContact CG1-CB 4.1Å; I59-L65 HydrophobicContact CG1-CD1 3.94Å; I59-L65 HydrophobicContact CG1-CG 4.12Å; I59-V96 WeakPolarHBondContact O-CA 3.02Å; I59-I97 PolarHBondContact N-O 3.27Å; I59-I97 PolarHBondContact O-N 3.4Å; I59-L99 HydrophobicContact CD1-CD1 3.51Å; I59-L99 HydrophobicContact CD1-CG 4.12Å; I59-L99 HydrophobicContact CG1-CD1 3.88Å; I59-L99 HydrophobicContact CG1-CG 4.13Å |
| 60 | S | 91.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 29% | 0.291 | C | S | . | . | trans | -77.9 | 153.9 | 167.4 | 60.2 | 0 | 0 | 0 | 0 | 111.3 | C62 G63 H64 | S60-C62 PolarHBondContact O-N 3.36Å; S60-C62 PolarHBondContact OG-SG 3.13Å; S60-G63 PolarHBondContact O-N 3.03Å; S60-H64 PolarHBondContact N-O 3.06Å; S60-H64 PolarHBondContact OG-N 3.19Å; S60-H64 VanDerWaalsContact OG-N 3.15Å; S60-H64 PolarHBondContact OG-O 3.2Å | ||
| 61 | L | 89.8 | Confident | 89.7 | Confident | 116 Ų | 116 | 49.3 Ų | 49.3 | 61% | 0.607 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -19.6 | 176.2 | -62.2 | -176.9 | 0 | 0 | 0 | 114.3 | G63 K95 | L61-G63 VanDerWaalsContact C-N 3.34Å; L61-K95 HydrophobicContact CD1-CB 4.08Å; L61-K95 HydrophobicContact CD1-CD 4.32Å; L61-K95 HydrophobicContact CG-CB 4.38Å; L61-K95 WeakPolarHBondContact CG-O 3.24Å |
| 62 | C | 91.7 | Very high | 89.8 | Confident | 39 Ų | 39 | 45 Ų | 45 | 26% | 0.264 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | 17.5 | 175.4 | 67.3 | 0 | 0 | 0 | 0 | 114.2 | S60 H64 C84 C87 A89 | S60-C62 PolarHBondContact O-N 3.36Å; S60-C62 PolarHBondContact OG-SG 3.13Å; C62-H64 VanDerWaalsContact C-N 3.29Å; C62-H64 PolarHBondContact O-CE1 3.37Å; C62-H64 PolarHBondContact O-N 3.02Å; C62-H64 PolarHBondContact O-ND1 3.08Å; C62-C84 VanDerWaalsContact SG-SG 3.62Å; C62-C87 PolarHBondContact SG-SG 3.3Å; C62-A89 HydrophobicContact CB-CB 3.78Å |
| 63 | G | 90.4 | Very high | 90 | Very high | 55 Ų | 55 | 47.2 Ų | 47.2 | 57% | 0.567 | 26% | 0.258 | S | S | * | . | S | Bend | trans | 79.6 | -7.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | S60 L61 | S60-G63 PolarHBondContact O-N 3.03Å; L61-G63 VanDerWaalsContact C-N 3.34Å |
| 64 | H | 92.4 | Very high | 90.3 | Very high | 47 Ų | 47 | 47.7 Ų | 47.7 | 22% | 0.218 | 26% | 0.255 | C | S | . | . | trans | -83.1 | 138.6 | -177.3 | -62.9 | 75.5 | 0 | 0 | 0 | 111.7 | S60 C62 F66 V86 C87 | S60-H64 PolarHBondContact N-O 3.06Å; S60-H64 PolarHBondContact OG-N 3.19Å; S60-H64 VanDerWaalsContact OG-N 3.15Å; S60-H64 PolarHBondContact OG-O 3.2Å; C62-H64 VanDerWaalsContact C-N 3.29Å; C62-H64 PolarHBondContact O-CE1 3.37Å; C62-H64 PolarHBondContact O-N 3.02Å; C62-H64 PolarHBondContact O-ND1 3.08Å; H64-F66 HydrophobicContact CB-CE2 3.71Å; H64-F66 HydrophobicContact CB-CZ 3.6Å; H64-F66 WeakPolarHBondContact O-CE2 3.47Å; H64-V86 WeakPolarHBondContact CD2-CB 3.19Å; H64-V86 WeakPolarHBondContact NE2-CG1 3.41Å; H64-C87 VanDerWaalsContact CE1-SG 3.58Å | ||
| 65 | L | 91.2 | Very high | 90.6 | Very high | 17 Ų | 17 | 48.1 Ų | 48.1 | 9% | 0.089 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 136.7 | -172.3 | -169.2 | 150.9 | 0 | 0 | 0 | 112.1 | F45 E46 N48 A54 A57 V58 I59 L99 | F45-L65 HydrophobicContact CB-CD1 3.78Å; F45-L65 HydrophobicContact CB-CD2 3.89Å; F45-L65 HydrophobicContact CD1-CD1 3.58Å; F45-L65 HydrophobicContact CE1-CD1 4.49Å; F45-L65 HydrophobicContact CG-CD1 3.96Å; E46-L65 WeakPolarHBondContact O-CD2 3.15Å; N48-L65 PolarHBondContact N-O 3Å; N48-L65 PolarHBondContact ND2-O 3.48Å; A54-L65 HydrophobicContact CB-CD2 3.53Å; A57-L65 HydrophobicContact CB-CD1 4.5Å; A57-L65 HydrophobicContact CB-CD2 4.19Å; A57-L65 HydrophobicContact CB-CG 4.5Å; V58-L65 WeakPolarHBondContact O-CA 3.43Å; I59-L65 HydrophobicContact CD1-CD1 4.21Å; I59-L65 HydrophobicContact CG1-CB 4.1Å; I59-L65 HydrophobicContact CG1-CD1 3.94Å; I59-L65 HydrophobicContact CG1-CG 4.12Å; L65-L99 HydrophobicContact CD1-CD1 3.98Å |
| 66 | F | 92.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 159.2 | -177 | -50.4 | -74.5 | 0 | 0 | 0 | 111.1 | N48 I49 A57 V58 H64 L71 P85 V86 | N48-F66 HydrophobicContact CB-CD1 3.96Å; N48-F66 HydrophobicContact CB-CE1 3.59Å; I49-F66 HydrophobicContact CD1-CB 4.3Å; I49-F66 HydrophobicContact CD1-CD1 3.45Å; I49-F66 VanDerWaalsContact CD1-CD1 3.45Å; I49-F66 HydrophobicContact CD1-CE1 4.01Å; I49-F66 HydrophobicContact CD1-CG 4.04Å; I49-F66 HydrophobicContact CG1-CD1 3.62Å; I49-F66 HydrophobicContact CG1-CE1 3.95Å; A57-F66 WeakPolarHBondContact CA-O 3.27Å; V58-F66 HydrophobicContact CG2-CB 4.37Å; V58-F66 WeakPolarHBondContact CG2-O 3.33Å; V58-F66 PolarHBondContact N-O 3.32Å; V58-F66 PolarHBondContact O-N 3.12Å; H64-F66 HydrophobicContact CB-CE2 3.71Å; H64-F66 HydrophobicContact CB-CZ 3.6Å; H64-F66 WeakPolarHBondContact O-CE2 3.47Å; F66-L71 HydrophobicContact CB-CB 3.99Å; F66-L71 HydrophobicContact CD2-CD1 4.1Å; F66-L71 HydrophobicContact CD2-CD2 4.07Å; F66-L71 HydrophobicContact CD2-CG 4.48Å; F66-L71 HydrophobicContact CE2-CD1 4.42Å; F66-L71 HydrophobicContact CG-CB 4.41Å; F66-L71 HydrophobicContact CG-CD1 4.48Å; F66-P85 HydrophobicContact CD1-CG 4.36Å; F66-P85 HydrophobicContact CE1-CG 3.42Å; F66-P85 VanDerWaalsContact CE1-CG 3.42Å; F66-P85 HydrophobicContact CZ-CG 3.58Å; F66-V86 HydrophobicContact CE1-CG2 4.31Å; F66-V86 HydrophobicContact CZ-CG2 4.33Å |
| 67 | C | 91.4 | Very high | 91.1 | Very high | 5 Ų | 5 | 45.3 Ų | 45.3 | 3% | 0.034 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 139.3 | 158.2 | -54 | 0 | 0 | 0 | 0 | 109.3 | C47 A54 K55 P69 C70 L71 | C47-C67 WeakPolarHBondContact CB-SG 3.45Å; C47-C67 PolarHBondContact SG-N 2.8Å; C47-C67 VanDerWaalsContact SG-SG 3.61Å; A54-C67 VanDerWaalsContact CA-SG 3.59Å; K55-C67 WeakPolarHBondContact O-CA 3.25Å; K55-C67 VanDerWaalsContact O-CB 3.27Å; K55-C67 WeakPolarHBondContact O-CB 3.39Å; C67-P69 HydrophobicContact CB-CG 4.15Å; C67-C70 HydrophobicContact CB-CB 4.07Å; C67-C70 PolarHBondContact O-N 3.46Å; C67-C70 VanDerWaalsContact O-N 3.13Å; C67-L71 PolarHBondContact O-N 3.02Å |
| 68 | W | 91.4 | Very high | 91 | Very high | 88 Ų | 88 | 50.7 Ų | 50.7 | 33% | 0.333 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -47.7 | -52.4 | 172.1 | 174.6 | -120.7 | 0 | 0 | 0 | 114.1 | D56 V58 C70 L71 H72 R93 V96 | D56-W68 HydrophobicContact CB-CB 3.86Å; D56-W68 WeakPolarHBondContact O-CB 3.39Å; D56-W68 PolarHBondContact O-N 2.88Å; V58-W68 HydrophobicContact CG1-CB 4.17Å; V58-W68 HydrophobicContact CG1-CE3 4.1Å; V58-W68 HydrophobicContact CG2-CB 4.49Å; V58-W68 HydrophobicContact CG2-CE3 4.46Å; W68-C70 VanDerWaalsContact C-N 3.34Å; W68-C70 PolarHBondContact O-N 3.45Å; W68-L71 PolarHBondContact O-N 3.38Å; W68-H72 WeakPolarHBondContact O-CB 3.49Å; W68-H72 PolarHBondContact O-N 3.05Å; W68-R93 HydrophobicContact CH2-CG 3.89Å; W68-R93 HydrophobicContact CZ3-CG 4.48Å; W68-V96 HydrophobicContact CE3-CG2 4.4Å; W68-V96 HydrophobicContact CZ3-CG2 3.85Å |
| 69 | P | 92.2 | Very high | 90.5 | Very high | 72 Ų | 72 | 54.4 Ų | 54.4 | 47% | 0.468 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -62.6 | -35.7 | 178.9 | 23 | -34.7 | 0 | 0 | 0 | 113.6 | C67 H72 Q73 | C67-P69 HydrophobicContact CB-CG 4.15Å; P69-H72 PolarHBondContact O-N 3.01Å; P69-Q73 WeakPolarHBondContact O-CB 3.49Å; P69-Q73 PolarHBondContact O-N 3.32Å |
| 70 | C | 92.7 | Very high | 90.1 | Very high | 31 Ų | 31 | 59.9 Ų | 59.9 | 21% | 0.209 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -66.9 | -43.4 | 178.9 | -63.7 | 0 | 0 | 0 | 0 | 111.8 | I49 C67 W68 W74 | I49-C70 HydrophobicContact CB-CB 3.96Å; I49-C70 HydrophobicContact CD1-CB 3.91Å; I49-C70 HydrophobicContact CG2-CB 3.86Å; C67-C70 HydrophobicContact CB-CB 4.07Å; C67-C70 PolarHBondContact O-N 3.46Å; C67-C70 VanDerWaalsContact O-N 3.13Å; W68-C70 VanDerWaalsContact C-N 3.34Å; W68-C70 PolarHBondContact O-N 3.45Å; C70-W74 WeakPolarHBondContact O-CB 3.34Å; C70-W74 PolarHBondContact O-N 2.97Å; C70-W74 VanDerWaalsContact O-N 3.15Å |
| 71 | L | 92.3 | Very high | 89.7 | Confident | 1 Ų | 1 | 69 Ų | 69 | 1% | 0.005 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -71.1 | -38.1 | 177.2 | -177.5 | 61.4 | 0 | 0 | 0 | 111.9 | V58 F66 C67 W68 W74 L75 I91 V96 | V58-L71 HydrophobicContact CG2-CB 4.41Å; V58-L71 HydrophobicContact CG2-CD2 3.84Å; F66-L71 HydrophobicContact CB-CB 3.99Å; F66-L71 HydrophobicContact CD2-CD1 4.1Å; F66-L71 HydrophobicContact CD2-CD2 4.07Å; F66-L71 HydrophobicContact CD2-CG 4.48Å; F66-L71 HydrophobicContact CE2-CD1 4.42Å; F66-L71 HydrophobicContact CG-CB 4.41Å; F66-L71 HydrophobicContact CG-CD1 4.48Å; C67-L71 PolarHBondContact O-N 3.02Å; W68-L71 PolarHBondContact O-N 3.38Å; L71-W74 WeakPolarHBondContact O-CB 3.35Å; L71-W74 PolarHBondContact O-N 3.48Å; L71-L75 HydrophobicContact CG-CD1 4.29Å; L71-L75 WeakPolarHBondContact O-CG 3.2Å; L71-L75 PolarHBondContact O-N 2.82Å; L71-I91 HydrophobicContact CD1-CD1 4.1Å; L71-I91 HydrophobicContact CD2-CD1 3.87Å; L71-V96 HydrophobicContact CD2-CG1 3.77Å |
| 72 | H | 91.6 | Very high | 89.6 | Confident | 41 Ų | 41 | 67.3 Ų | 67.3 | 19% | 0.19 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -60.4 | -50.8 | 176.3 | 175.5 | -111.1 | 0 | 0 | 0 | 111.4 | W68 P69 W74 L75 E76 R93 | W68-H72 WeakPolarHBondContact O-CB 3.49Å; W68-H72 PolarHBondContact O-N 3.05Å; P69-H72 PolarHBondContact O-N 3.01Å; H72-W74 VanDerWaalsContact C-N 3.32Å; H72-W74 PolarHBondContact O-N 3.36Å; H72-L75 PolarHBondContact O-N 3.15Å; H72-E76 IonicContact CD2-OE1 2.82Å; H72-E76 IonicContact CE1-OE1 3.22Å; H72-E76 PolarHBondContact CE1-OE1 2.89Å; H72-E76 VanDerWaalsContact CE1-OE1 3.22Å; H72-E76 IonicContact CE1-OE2 3.23Å; H72-E76 PolarHBondContact CE1-OE2 3.06Å; H72-E76 VanDerWaalsContact CE1-OE2 3.23Å; H72-E76 IonicContact NE2-OE1 2.7Å; H72-E76 PolarHBondContact NE2-OE1 3.35Å; H72-E76 IonicContact NE2-OE2 3.51Å; H72-E76 PolarHBondContact O-N 3.5Å; H72-R93 VanDerWaalsContact CD2-CZ 3.43Å; H72-R93 PolarHBondContact CD2-NH1 2.85Å; H72-R93 PolarHBondContact CD2-NH2 2.83Å; H72-R93 PolarHBondContact NE2-NH1 3.05Å; H72-R93 VanDerWaalsContact NE2-NH1 3.19Å; H72-R93 PolarHBondContact NE2-NH2 3.2Å |
| 73 | Q | 92.6 | Very high | 89.6 | Confident | 117 Ų | 117 | 67.6 Ų | 67.6 | 55% | 0.547 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -57.6 | -42.2 | 174.3 | -173.2 | 68.2 | 42.5 | 0 | 0 | 112.2 | P69 L75 E76 T77 | P69-Q73 WeakPolarHBondContact O-CB 3.49Å; P69-Q73 PolarHBondContact O-N 3.32Å; Q73-L75 PolarHBondContact O-N 3.36Å; Q73-E76 PolarHBondContact O-N 3.15Å; Q73-T77 WeakPolarHBondContact O-CG2 3.46Å; Q73-T77 PolarHBondContact O-N 3.25Å; Q73-T77 PolarHBondContact O-OG1 2.86Å |
| 74 | W | 91.3 | Very high | 89.7 | Confident | 55 Ų | 55 | 65 Ų | 65 | 21% | 0.208 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -59.8 | -45.4 | 177.5 | 175.9 | -98.2 | 0 | 0 | 0 | 112.2 | C70 L71 H72 T77 R78 V83 P85 | C70-W74 WeakPolarHBondContact O-CB 3.34Å; C70-W74 PolarHBondContact O-N 2.97Å; C70-W74 VanDerWaalsContact O-N 3.15Å; L71-W74 WeakPolarHBondContact O-CB 3.35Å; L71-W74 PolarHBondContact O-N 3.48Å; H72-W74 VanDerWaalsContact C-N 3.32Å; H72-W74 PolarHBondContact O-N 3.36Å; W74-T77 PolarHBondContact O-N 2.84Å; W74-T77 PolarHBondContact O-OG1 3.1Å; W74-R78 PolarHBondContact O-N 2.99Å; W74-V83 PolarHBondContact NE1-O 2.99Å; W74-P85 HydrophobicContact CD2-CB 4.25Å; W74-P85 HydrophobicContact CH2-CB 3.93Å; W74-P85 HydrophobicContact CZ2-CB 3.65Å; W74-P85 HydrophobicContact CZ3-CB 4.38Å |
| 75 | L | 89.6 | Confident | 89.5 | Confident | 16 Ų | 16 | 64.5 Ų | 64.5 | 8% | 0.084 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -66.6 | -40 | 178.3 | -66.8 | 171.7 | 0 | 0 | 0 | 112.2 | L71 H72 Q73 R78 Q82 I91 R93 | L71-L75 HydrophobicContact CG-CD1 4.29Å; L71-L75 WeakPolarHBondContact O-CG 3.2Å; L71-L75 PolarHBondContact O-N 2.82Å; H72-L75 PolarHBondContact O-N 3.15Å; Q73-L75 PolarHBondContact O-N 3.36Å; L75-R78 CarbonylContact O-C 3.27Å; L75-R78 VanDerWaalsContact O-C 3.27Å; L75-R78 PolarHBondContact O-N 2.83Å; L75-R78 VanDerWaalsContact O-N 3.12Å; L75-Q82 HydrophobicContact CD2-CB 3.89Å; L75-Q82 HydrophobicContact CD2-CG 4.21Å; L75-I91 HydrophobicContact CD2-CG2 3.97Å; L75-R93 HydrophobicContact CD1-CB 4.39Å |
| 76 | E | 89.8 | Confident | 89.5 | Confident | 108 Ų | 108 | 67 Ų | 67 | 51% | 0.505 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -68.9 | -31.6 | 178.2 | -70.5 | -170.7 | 161.8 | 0 | 0 | 113.1 | H72 Q73 R78 R93 | H72-E76 IonicContact CD2-OE1 2.82Å; H72-E76 IonicContact CE1-OE1 3.22Å; H72-E76 PolarHBondContact CE1-OE1 2.89Å; H72-E76 VanDerWaalsContact CE1-OE1 3.22Å; H72-E76 IonicContact CE1-OE2 3.23Å; H72-E76 PolarHBondContact CE1-OE2 3.06Å; H72-E76 VanDerWaalsContact CE1-OE2 3.23Å; H72-E76 IonicContact NE2-OE1 2.7Å; H72-E76 PolarHBondContact NE2-OE1 3.35Å; H72-E76 IonicContact NE2-OE2 3.51Å; H72-E76 PolarHBondContact O-N 3.5Å; Q73-E76 PolarHBondContact O-N 3.15Å; E76-R78 PolarHBondContact O-N 2.85Å; E76-R93 IonicContact OE1-NH1 3.57Å |
| 77 | T | 88.6 | Confident | 89.4 | Confident | 83 Ų | 83 | 69.7 Ų | 69.7 | 51% | 0.509 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -14.2 | 171.4 | 62.2 | 0 | 0 | 0 | 0 | 113.9 | Q73 W74 | Q73-T77 WeakPolarHBondContact O-CG2 3.46Å; Q73-T77 PolarHBondContact O-N 3.25Å; Q73-T77 PolarHBondContact O-OG1 2.86Å; W74-T77 PolarHBondContact O-N 2.84Å; W74-T77 PolarHBondContact O-OG1 3.1Å |
| 78 | R | 84.9 | Confident | 89.4 | Confident | 121 Ų | 121 | 77.5 Ų | 77.5 | 46% | 0.457 | 39% | 0.385 | S | S | . | . | trans | -141.4 | 54.9 | -171.1 | -59.9 | 179.2 | -169.1 | -153.6 | -1.1 | 112.8 | W74 L75 E76 N80 R81 | W74-R78 PolarHBondContact O-N 2.99Å; L75-R78 CarbonylContact O-C 3.27Å; L75-R78 VanDerWaalsContact O-C 3.27Å; L75-R78 PolarHBondContact O-N 2.83Å; L75-R78 VanDerWaalsContact O-N 3.12Å; E76-R78 PolarHBondContact O-N 2.85Å; R78-N80 PolarHBondContact O-N 3.29Å; R78-N80 VanDerWaalsContact O-N 3.14Å; R78-R81 CarbonylContact O-C 3.25Å; R78-R81 VanDerWaalsContact O-C 3.25Å; R78-R81 PolarHBondContact O-N 2.9Å | ||
| 79 | P | 81.3 | Confident | 89.3 | Confident | 86 Ų | 86 | 75 Ų | 75 | 56% | 0.558 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -35.5 | -174.2 | 23.9 | -34.7 | 0 | 0 | 0 | 113.1 | R81 | P79-R81 VanDerWaalsContact C-N 3.26Å; P79-R81 PolarHBondContact O-N 3.21Å |
| 80 | N | 82.6 | Confident | 89.2 | Confident | 160 Ų | 160 | 74.8 Ų | 74.8 | 86% | 0.856 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | -6.8 | 178.2 | -64.4 | -16 | 0 | 0 | 0 | 114.2 | R78 | R78-N80 PolarHBondContact O-N 3.29Å; R78-N80 VanDerWaalsContact O-N 3.14Å |
| 81 | R | 82.6 | Confident | 89.1 | Confident | 191 Ų | 191 | 73.9 Ų | 73.9 | 72% | 0.721 | 39% | 0.386 | S | S | * | . | trans | -146.5 | 72.3 | -177.2 | -69 | -171.3 | 179.4 | 171.9 | 0.4 | 110.8 | R78 P79 V83 | R78-R81 CarbonylContact O-C 3.25Å; R78-R81 VanDerWaalsContact O-C 3.25Å; R78-R81 PolarHBondContact O-N 2.9Å; P79-R81 VanDerWaalsContact C-N 3.26Å; P79-R81 PolarHBondContact O-N 3.21Å; R81-V83 VanDerWaalsContact C-N 3.3Å; R81-V83 PolarHBondContact O-N 2.82Å | ||
| 82 | Q | 88.5 | Confident | 88.8 | Confident | 80 Ų | 80 | 74.5 Ų | 74.5 | 37% | 0.374 | 39% | 0.391 | S | S | . | . | trans | -72.1 | 83.9 | 172.9 | -53.2 | -174 | 7.8 | 0 | 0 | 110.3 | L75 I91 | L75-Q82 HydrophobicContact CD2-CB 3.89Å; L75-Q82 HydrophobicContact CD2-CG 4.21Å; Q82-I91 WeakPolarHBondContact CB-O 3.27Å; Q82-I91 PolarHBondContact O-N 3.19Å; Q82-I91 VanDerWaalsContact O-N 3.09Å; Q82-I91 PolarHBondContact OE1-O 3.14Å | ||
| 83 | V | 91.9 | Very high | 88.4 | Confident | 46 Ų | 46 | 78 Ų | 78 | 28% | 0.279 | 40% | 0.403 | S | S | . | . | B | Isolated β-bridge | trans | -127.4 | 145 | -178.4 | -63.2 | 0 | 0 | 0 | 0 | 111.9 | W74 R81 A89 | W74-V83 PolarHBondContact NE1-O 2.99Å; R81-V83 VanDerWaalsContact C-N 3.3Å; R81-V83 PolarHBondContact O-N 2.82Å; V83-A89 CarbonylContact C-O 3.58Å; V83-A89 WeakPolarHBondContact CA-O 3.42Å |
| 84 | C | 92.1 | Very high | 88 | Confident | 1 Ų | 1 | 79.2 Ų | 79.2 | 1% | 0.007 | 41% | 0.408 | C | S | . | . | trans | -57.9 | 130.9 | 172.3 | 176.2 | 0 | 0 | 0 | 0 | 110.6 | C62 V86 C87 K88 A89 | C62-C84 VanDerWaalsContact SG-SG 3.62Å; C84-V86 PolarHBondContact O-N 3.2Å; C84-C87 VanDerWaalsContact SG-SG 3.65Å; C84-K88 WeakPolarHBondContact O-CA 3.47Å; C84-K88 PolarHBondContact O-N 2.94Å; C84-A89 PolarHBondContact N-O 3.34Å | ||
| 85 | P | 89.3 | Confident | 87.7 | Confident | 36 Ų | 36 | 82.8 Ų | 82.8 | 23% | 0.234 | 43% | 0.425 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -27.5 | -179.5 | 25 | -34.8 | 0 | 0 | 0 | 113.6 | I49 F66 W74 | I49-P85 HydrophobicContact CD1-CG 4.19Å; I49-P85 HydrophobicContact CG1-CG 4.1Å; F66-P85 HydrophobicContact CD1-CG 4.36Å; F66-P85 HydrophobicContact CE1-CG 3.42Å; F66-P85 VanDerWaalsContact CE1-CG 3.42Å; F66-P85 HydrophobicContact CZ-CG 3.58Å; W74-P85 HydrophobicContact CD2-CB 4.25Å; W74-P85 HydrophobicContact CH2-CB 3.93Å; W74-P85 HydrophobicContact CZ2-CB 3.65Å; W74-P85 HydrophobicContact CZ3-CB 4.38Å |
| 86 | V | 90.7 | Very high | 87.6 | Confident | 69 Ų | 69 | 83.1 Ų | 83.1 | 42% | 0.418 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -68 | -178.1 | -171.3 | 0 | 0 | 0 | 0 | 111.1 | N48 H64 F66 C84 | N48-V86 HydrophobicContact CB-CG2 3.91Å; H64-V86 WeakPolarHBondContact CD2-CB 3.19Å; H64-V86 WeakPolarHBondContact NE2-CG1 3.41Å; F66-V86 HydrophobicContact CE1-CG2 4.31Å; F66-V86 HydrophobicContact CZ-CG2 4.33Å; C84-V86 PolarHBondContact O-N 3.2Å |
| 87 | C | 90.6 | Very high | 87.6 | Confident | 57 Ų | 57 | 82.4 Ų | 82.4 | 39% | 0.385 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | -0.2 | -172.3 | 70.1 | 0 | 0 | 0 | 0 | 115.2 | C62 H64 C84 A89 | C62-C87 PolarHBondContact SG-SG 3.3Å; H64-C87 VanDerWaalsContact CE1-SG 3.58Å; C84-C87 VanDerWaalsContact SG-SG 3.65Å; C87-A89 PolarHBondContact O-N 3.43Å |
| 88 | K | 91.6 | Very high | 87.5 | Confident | 168 Ų | 168 | 81.2 Ų | 81.2 | 73% | 0.73 | 42% | 0.421 | S | S | * | . | trans | 62.6 | 6.2 | 179.4 | -51.9 | 167.2 | -171.2 | 167.4 | 0 | 115.7 | C84 | C84-K88 WeakPolarHBondContact O-CA 3.47Å; C84-K88 PolarHBondContact O-N 2.94Å | ||
| 89 | A | 89.3 | Confident | 87.5 | Confident | 37 Ų | 37 | 78.3 Ų | 78.3 | 31% | 0.306 | 41% | 0.413 | S | S | . | . | trans | -60 | 148 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | C62 V83 C84 C87 I91 | C62-A89 HydrophobicContact CB-CB 3.78Å; V83-A89 CarbonylContact C-O 3.58Å; V83-A89 WeakPolarHBondContact CA-O 3.42Å; C84-A89 PolarHBondContact N-O 3.34Å; C87-A89 PolarHBondContact O-N 3.43Å; A89-I91 PolarHBondContact O-N 3.26Å | ||
| 90 | G | 89.2 | Confident | 87.3 | Confident | 66 Ų | 66 | 83.9 Ų | 83.9 | 68% | 0.68 | 43% | 0.425 | S | S | * | . | B | Isolated β-bridge | trans | -63.1 | 132.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 91 | I | 90.1 | Very high | 86.5 | Confident | 12 Ų | 12 | 77.4 Ų | 77.4 | 6% | 0.062 | 40% | 0.396 | C | S | . | . | trans | -134.2 | 154.6 | 178.8 | -168.7 | 179.1 | 0 | 0 | 0 | 108 | L71 L75 Q82 A89 V96 | L71-I91 HydrophobicContact CD1-CD1 4.1Å; L71-I91 HydrophobicContact CD2-CD1 3.87Å; L75-I91 HydrophobicContact CD2-CG2 3.97Å; Q82-I91 WeakPolarHBondContact CB-O 3.27Å; Q82-I91 PolarHBondContact O-N 3.19Å; Q82-I91 VanDerWaalsContact O-N 3.09Å; Q82-I91 PolarHBondContact OE1-O 3.14Å; A89-I91 PolarHBondContact O-N 3.26Å; I91-V96 HydrophobicContact CD1-CG1 4.01Å; I91-V96 HydrophobicContact CG1-CG1 4.29Å | ||
| 92 | S | 86.4 | Confident | 85.4 | Confident | 15 Ų | 15 | 80.2 Ų | 80.2 | 11% | 0.105 | 41% | 0.406 | C | S | . | . | trans | -139.9 | 158.3 | 168.1 | 79.3 | 0 | 0 | 0 | 0 | 110.8 | E94 K95 | S92-E94 WeakPolarHBondContact CB-OE2 3.12Å; S92-E94 PolarHBondContact O-N 3.35Å; S92-E94 VanDerWaalsContact O-N 3.16Å; S92-E94 PolarHBondContact OG-OE2 2.91Å; S92-K95 PolarHBondContact O-N 2.89Å; S92-K95 WeakPolarHBondContact OG-CD 3.09Å; S92-K95 WeakPolarHBondContact OG-CG 3.37Å | ||
| 93 | R | 84.5 | Confident | 83.8 | Confident | 114 Ų | 114 | 78.5 Ų | 78.5 | 43% | 0.43 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -24.5 | -171.2 | -176.9 | -179.2 | -178 | 151.9 | 5 | 113 | W68 H72 L75 E76 | W68-R93 HydrophobicContact CH2-CG 3.89Å; W68-R93 HydrophobicContact CZ3-CG 4.48Å; H72-R93 VanDerWaalsContact CD2-CZ 3.43Å; H72-R93 PolarHBondContact CD2-NH1 2.85Å; H72-R93 PolarHBondContact CD2-NH2 2.83Å; H72-R93 PolarHBondContact NE2-NH1 3.05Å; H72-R93 VanDerWaalsContact NE2-NH1 3.19Å; H72-R93 PolarHBondContact NE2-NH2 3.2Å; L75-R93 HydrophobicContact CD1-CB 4.39Å; E76-R93 IonicContact OE1-NH1 3.57Å |
| 94 | E | 82.9 | Confident | 82.1 | Confident | 143 Ų | 143 | 79.4 Ų | 79.4 | 67% | 0.668 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | -9.4 | -176.9 | -37.9 | 68.9 | -147.6 | 0 | 0 | 112.1 | S92 | S92-E94 WeakPolarHBondContact CB-OE2 3.12Å; S92-E94 PolarHBondContact O-N 3.35Å; S92-E94 VanDerWaalsContact O-N 3.16Å; S92-E94 PolarHBondContact OG-OE2 2.91Å |
| 95 | K | 84.5 | Confident | 80.4 | Confident | 129 Ų | 129 | 85.9 Ų | 85.9 | 56% | 0.561 | 46% | 0.458 | S | S | * | . | S | Bend | trans | -114.3 | 21.9 | -173.2 | -66.3 | 179.4 | -173.3 | 173.4 | 0 | 113 | L61 S92 | L61-K95 HydrophobicContact CD1-CB 4.08Å; L61-K95 HydrophobicContact CD1-CD 4.32Å; L61-K95 HydrophobicContact CG-CB 4.38Å; L61-K95 WeakPolarHBondContact CG-O 3.24Å; S92-K95 PolarHBondContact O-N 2.89Å; S92-K95 WeakPolarHBondContact OG-CD 3.09Å; S92-K95 WeakPolarHBondContact OG-CG 3.37Å |
| 96 | V | 88.6 | Confident | 79 | Confident | 24 Ų | 24 | 87.5 Ų | 87.5 | 15% | 0.145 | 48% | 0.481 | C | S | . | . | trans | -95.2 | 146.6 | 171 | -60 | 0 | 0 | 0 | 0 | 110.5 | V58 I59 W68 L71 I91 | V58-V96 HydrophobicContact CB-CB 4.35Å; V58-V96 HydrophobicContact CB-CG2 4.47Å; V58-V96 HydrophobicContact CG1-CG2 4.38Å; I59-V96 WeakPolarHBondContact O-CA 3.02Å; W68-V96 HydrophobicContact CE3-CG2 4.4Å; W68-V96 HydrophobicContact CZ3-CG2 3.85Å; L71-V96 HydrophobicContact CD2-CG1 3.77Å; I91-V96 HydrophobicContact CD1-CG1 4.01Å; I91-V96 HydrophobicContact CG1-CG1 4.29Å | ||
| 97 | I | 88.5 | Confident | 77.3 | Confident | 92 Ų | 92 | 90.5 Ų | 90.5 | 47% | 0.472 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 114.1 | 179.8 | -57.9 | 174.9 | 0 | 0 | 0 | 107.7 | I59 | I59-I97 PolarHBondContact N-O 3.27Å; I59-I97 PolarHBondContact O-N 3.4Å |
| 98 | P | 87.6 | Confident | 75.6 | Confident | 59 Ų | 59 | 96.6 Ų | 96.6 | 38% | 0.383 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 136.3 | 175.6 | 29.5 | -33.6 | 0 | 0 | 0 | 111 | V58 Y100 | V58-P98 HydrophobicContact CG1-CB 4.41Å; P98-Y100 HydrophobicContact CB-CE2 4.01Å; P98-Y100 HydrophobicContact CG-CE2 3.91Å |
| 99 | L | 84.1 | Confident | 74 | Confident | 59 Ų | 59 | 91.9 Ų | 91.9 | 31% | 0.309 | 50% | 0.497 | S | S | . | . | trans | -104.4 | 110.8 | 175.2 | -74.2 | -164.6 | 0 | 0 | 0 | 111.5 | F45 A57 I59 L65 G101 | F45-L99 HydrophobicContact CE1-CD1 4.27Å; A57-L99 HydrophobicContact CB-CB 4.31Å; A57-L99 PolarHBondContact O-N 3.03Å; I59-L99 HydrophobicContact CD1-CD1 3.51Å; I59-L99 HydrophobicContact CD1-CG 4.12Å; I59-L99 HydrophobicContact CG1-CD1 3.88Å; I59-L99 HydrophobicContact CG1-CG 4.13Å; L65-L99 HydrophobicContact CD1-CD1 3.98Å; L99-G101 VanDerWaalsContact C-N 3.35Å; L99-G101 PolarHBondContact O-N 3.48Å | ||
| 100 | Y | 76.9 | Confident | 72.5 | Confident | 204 Ų | 204 | 94.5 Ų | 94.5 | 80% | 0.8 | 51% | 0.51 | S | S | * | . | trans | -90.2 | 71.2 | 171.4 | -54.5 | -69 | 0 | 0 | 0 | 110.2 | P98 | P98-Y100 HydrophobicContact CB-CE2 4.01Å; P98-Y100 HydrophobicContact CG-CE2 3.91Å | ||
| 101 | G | 65.9 | Low | 71 | Confident | 23 Ų | 23 | 100.8 Ų | 100.8 | 24% | 0.237 | 51% | 0.513 | C | S | . | . | trans | -77 | 142.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | L99 G103 | L99-G101 VanDerWaalsContact C-N 3.35Å; L99-G101 PolarHBondContact O-N 3.48Å; G101-G103 PolarHBondContact O-N 3.41Å | ||
| 102 | R | 61.1 | Low | 69.6 | Low | 250 Ų | 250 | 109.1 Ų | 109.1 | 94% | 0.943 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.2 | 7.5 | 177.3 | -79.6 | -173.7 | 165.8 | 104 | -2.8 | 115.4 | ||
| 103 | G | 54.3 | Low | 68.3 | Low | 45 Ų | 45 | 119.3 Ų | 119.3 | 46% | 0.464 | 59% | 0.588 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -116 | 5.5 | -172.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | G101 T105 | G101-G103 PolarHBondContact O-N 3.41Å; G103-T105 PolarHBondContact O-N 3.44Å |
| 104 | S | 55.1 | Low | 67.2 | Low | 64 Ų | 64 | 118.5 Ų | 118.5 | 45% | 0.448 | 60% | 0.596 | S | S | . | * | trans | -76.6 | 116.8 | 174 | 51.2 | 0 | 0 | 0 | 0 | 110.3 | G106 Q107 | S104-G106 PolarHBondContact O-N 3.09Å; S104-Q107 PolarHBondContact O-N 3.48Å | ||
| 105 | T | 56.7 | Low | 66.5 | Low | 138 Ų | 138 | 116.5 Ų | 116.5 | 85% | 0.847 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.4 | 49.2 | -175 | 45 | 0 | 0 | 0 | 0 | 113.4 | G103 | G103-T105 PolarHBondContact O-N 3.44Š|
| 106 | G | 60.7 | Low | 65.4 | Low | 69 Ų | 69 | 116.5 Ų | 116.5 | 71% | 0.711 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -156.5 | 4.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | S104 Q108 | S104-G106 PolarHBondContact O-N 3.09Å; G106-Q108 PolarHBondContact O-N 3.23Å; G106-Q108 VanDerWaalsContact O-N 3.08Å |
| 107 | Q | 54.7 | Low | 63.7 | Low | 133 Ų | 133 | 126.3 Ų | 126.3 | 62% | 0.621 | 64% | 0.643 | S | S | * | * | trans | -75.2 | 93.9 | 174.4 | -176.1 | 172.3 | 49.8 | 0 | 0 | 110.9 | S104 D109 | S104-Q107 PolarHBondContact O-N 3.48Å; Q107-D109 PolarHBondContact O-N 2.7Å | ||
| 108 | Q | 55.9 | Low | 62.5 | Low | 184 Ų | 184 | 127.3 Ų | 127.3 | 86% | 0.86 | 66% | 0.655 | S | S | * | * | trans | -64.4 | 121.6 | 154.4 | -69 | -178.4 | 16.7 | 0 | 0 | 107.7 | G106 P110 | G106-Q108 PolarHBondContact O-N 3.23Å; G106-Q108 VanDerWaalsContact O-N 3.08Å; Q108-P110 VanDerWaalsContact O-CD 3.25Å; Q108-P110 WeakPolarHBondContact O-CD 3.49Å | ||
| 109 | D | 57.4 | Low | 61.2 | Low | 70 Ų | 70 | 133.6 Ų | 133.6 | 37% | 0.374 | 68% | 0.68 | S | S | . | * | trans | -73.7 | 116.1 | -174.7 | -170.2 | -19 | 0 | 0 | 0 | 110.5 | Q107 R111 E112 | Q107-D109 PolarHBondContact O-N 2.7Å; D109-R111 PolarHBondContact O-N 2.91Å; D109-R111 VanDerWaalsContact OD1-CB 3.24Å; D109-R111 WeakPolarHBondContact OD1-CB 3.09Å; D109-R111 VanDerWaalsContact OD1-CD 3.27Å; D109-R111 WeakPolarHBondContact OD1-CD 3.42Å; D109-R111 WeakPolarHBondContact OD1-CG 3.4Å; D109-R111 PolarHBondContact OD1-N 3.22Å; D109-R111 WeakPolarHBondContact OD2-CD 3.4Å; D109-R111 IonicContact OD2-NH1 3.78Å; D109-E112 PolarHBondContact O-N 2.57Å | ||
| 110 | P | 57.3 | Low | 60.2 | Low | 92 Ų | 92 | 134.3 Ų | 134.3 | 60% | 0.597 | 70% | 0.701 | S | S | * | * | G | 310 helix | trans | -60.6 | -12.1 | 179.5 | -23.3 | 35.6 | 0 | 0 | 0 | 114.3 | Q108 E112 R113 T114 | Q108-P110 VanDerWaalsContact O-CD 3.25Å; Q108-P110 WeakPolarHBondContact O-CD 3.49Å; P110-E112 PolarHBondContact O-N 3.07Å; P110-R113 PolarHBondContact O-N 3.28Å; P110-T114 PolarHBondContact O-OG1 3.19Å |
| 111 | R | 57.9 | Low | 59.4 | Low | 197 Ų | 197 | 134 Ų | 134 | 74% | 0.743 | 71% | 0.707 | S | S | * | * | G | 310 helix | trans | -62.1 | -27.4 | 176 | -67.7 | 166.9 | 70.9 | -163.2 | 5 | 113 | D109 R113 T114 | D109-R111 PolarHBondContact O-N 2.91Å; D109-R111 VanDerWaalsContact OD1-CB 3.24Å; D109-R111 WeakPolarHBondContact OD1-CB 3.09Å; D109-R111 VanDerWaalsContact OD1-CD 3.27Å; D109-R111 WeakPolarHBondContact OD1-CD 3.42Å; D109-R111 WeakPolarHBondContact OD1-CG 3.4Å; D109-R111 PolarHBondContact OD1-N 3.22Å; D109-R111 WeakPolarHBondContact OD2-CD 3.4Å; D109-R111 IonicContact OD2-NH1 3.78Å; R111-R113 PolarHBondContact O-N 2.88Å; R111-T114 PolarHBondContact O-N 3.18Å |
| 112 | E | 60.4 | Low | 59.1 | Low | 188 Ų | 188 | 142.9 Ų | 142.9 | 88% | 0.879 | 73% | 0.734 | S | S | * | * | G | 310 helix | trans | -69.8 | -17.5 | 177 | -62 | -165.1 | 158.5 | 0 | 0 | 113.6 | D109 P110 | D109-E112 PolarHBondContact O-N 2.57Å; P110-E112 PolarHBondContact O-N 3.07Å |
| 113 | R | 60.2 | Low | 59.2 | Low | 229 Ų | 229 | 136.5 Ų | 136.5 | 86% | 0.864 | 72% | 0.724 | S | S | * | * | G | 310 helix | trans | -101.9 | 6.1 | -179.2 | -169 | 48.2 | 174.6 | -178 | -0.9 | 114 | P110 R111 | P110-R113 PolarHBondContact O-N 3.28Å; R111-R113 PolarHBondContact O-N 2.88Å |
| 114 | T | 60.2 | Low | 60.1 | Low | 97 Ų | 97 | 143 Ų | 143 | 60% | 0.595 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -106.8 | 123.7 | -175.3 | -50.3 | 0 | 0 | 0 | 0 | 111.6 | P110 R111 | P110-T114 PolarHBondContact O-OG1 3.19Å; R111-T114 PolarHBondContact O-N 3.18Å |
| 115 | P | 68.3 | Low | 60.5 | Low | 100 Ų | 100 | 144.5 Ų | 144.5 | 65% | 0.649 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -64 | 160.4 | 175.3 | 27.6 | -34.7 | 0 | 0 | 0 | 111.9 | R117 | P115-R117 PolarHBondContact O-N 3.16Š|
| 116 | P | 60.8 | Low | 61 | Low | 129 Ų | 129 | 145.8 Ų | 145.8 | 84% | 0.838 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 123.8 | -175.7 | 21.4 | -33.6 | 0 | 0 | 0 | 111.7 | ||
| 117 | R | 53.3 | Low | 61.1 | Low | 231 Ų | 231 | 149.3 Ų | 149.3 | 87% | 0.872 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 127.6 | -175.4 | -163.3 | -173.9 | -156.8 | 104 | -0.1 | 109.8 | P115 Q119 | P115-R117 PolarHBondContact O-N 3.16Å; R117-Q119 PolarHBondContact O-N 3.24Å |
| 118 | P | 62.8 | Low | 61.2 | Low | 112 Ų | 112 | 153.7 Ų | 153.7 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 142 | 171.9 | 25.3 | -33.5 | 0 | 0 | 0 | 109.7 | G120 | P118-G120 PolarHBondContact O-N 3.5Š|
| 119 | Q | 61 | Low | 61 | Low | 192 Ų | 192 | 148.2 Ų | 148.2 | 90% | 0.897 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 124 | -177.7 | -68.1 | -176.3 | -3.5 | 0 | 0 | 109.9 | R117 Q121 | R117-Q119 PolarHBondContact O-N 3.24Å; Q119-Q121 PolarHBondContact O-N 3.04Å; Q119-Q121 VanDerWaalsContact O-N 3.15Å |
| 120 | G | 62.6 | Low | 60.4 | Low | 74 Ų | 74 | 147.9 Ų | 147.9 | 76% | 0.763 | 77% | 0.767 | S | S | * | * | trans | -71.4 | 108.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | P118 R122 | P118-G120 PolarHBondContact O-N 3.5Å; G120-R122 PolarHBondContact O-N 2.81Å | ||
| 121 | Q | 60.8 | Low | 59.9 | Low | 196 Ų | 196 | 151 Ų | 151 | 92% | 0.916 | 77% | 0.771 | S | S | * | * | trans | -65.8 | 84 | 163.2 | -75.2 | -178.9 | -32.5 | 0 | 0 | 108.8 | Q119 P123 | Q119-Q121 PolarHBondContact O-N 3.04Å; Q119-Q121 VanDerWaalsContact O-N 3.15Å; Q121-P123 VanDerWaalsContact O-CD 3.23Å; Q121-P123 WeakPolarHBondContact O-CD 3.37Å | ||
| 122 | R | 59.3 | Low | 59.8 | Low | 211 Ų | 211 | 150.8 Ų | 150.8 | 80% | 0.796 | 78% | 0.779 | S | S | * | * | trans | -74.3 | 112 | 168.3 | 177.8 | 175 | -175.7 | 167.5 | 3 | 107 | G120 E124 | G120-R122 PolarHBondContact O-N 2.81Å; R122-E124 PolarHBondContact O-N 3.15Å | ||
| 123 | P | 64.4 | Low | 59 | Low | 115 Ų | 115 | 144.2 Ų | 144.2 | 75% | 0.747 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 136 | 165.8 | 26.2 | -33.2 | 0 | 0 | 0 | 108.3 | Q121 | Q121-P123 VanDerWaalsContact O-CD 3.23Å; Q121-P123 WeakPolarHBondContact O-CD 3.37Å |
| 124 | E | 71.9 | Confident | 57.9 | Low | 182 Ų | 182 | 142.9 Ų | 142.9 | 85% | 0.85 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -61 | 140.4 | -178.7 | -156.8 | 159.2 | 87 | 0 | 0 | 109.4 | R122 E126 | R122-E124 PolarHBondContact O-N 3.15Å; E124-E126 PolarHBondContact O-N 2.96Å |
| 125 | P | 63.6 | Low | 56.9 | Low | 95 Ų | 95 | 141.2 Ų | 141.2 | 62% | 0.617 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -61 | 116.3 | -179.3 | 24.2 | -33.9 | 0 | 0 | 0 | 110.3 | N127 | P125-N127 PolarHBondContact O-N 3.42Š|
| 126 | E | 67.8 | Low | 55.6 | Low | 165 Ų | 165 | 146 Ų | 146 | 77% | 0.771 | 78% | 0.775 | S | S | * | * | trans | -40.9 | 110.3 | 179.2 | -177.4 | 73.9 | 94.5 | 0 | 0 | 111.2 | E124 R128 | E124-E126 PolarHBondContact O-N 2.96Å; E126-R128 HydrophobicContact CG-CG 4.06Å; E126-R128 PolarHBondContact O-N 2.97Å | ||
| 127 | N | 62.2 | Low | 54.6 | Low | 144 Ų | 144 | 143.1 Ų | 143.1 | 77% | 0.77 | 77% | 0.769 | S | S | * | * | trans | -76.8 | 81.9 | -178.8 | -169.1 | -24.9 | 0 | 0 | 0 | 109 | P125 G129 | P125-N127 PolarHBondContact O-N 3.42Å; N127-G129 PolarHBondContact O-N 3.01Å; N127-G129 PolarHBondContact OD1-N 3.23Å | ||
| 128 | R | 57.8 | Low | 54.2 | Low | 224 Ų | 224 | 140.3 Ų | 140.3 | 85% | 0.845 | 77% | 0.771 | S | S | * | * | trans | -68.8 | 71.6 | 168.7 | -65.7 | -177.3 | 71.8 | 103 | -3.4 | 109.5 | E126 G130 | E126-R128 HydrophobicContact CG-CG 4.06Å; E126-R128 PolarHBondContact O-N 2.97Å; R128-G130 PolarHBondContact O-N 3.14Å | ||
| 129 | G | 51.3 | Low | 53.5 | Low | 69 Ų | 69 | 137.5 Ų | 137.5 | 71% | 0.711 | 76% | 0.762 | S | S | * | * | trans | -52.9 | 124.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | N127 | N127-G129 PolarHBondContact O-N 3.01Å; N127-G129 PolarHBondContact OD1-N 3.23Å | ||
| 130 | G | 45.3 | Very low | 53.1 | Low | 63 Ų | 63 | 131.3 Ų | 131.3 | 65% | 0.649 | 75% | 0.749 | S | S | * | * | trans | -171 | 26.6 | -164.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | R128 Q132 | R128-G130 PolarHBondContact O-N 3.14Å; G130-Q132 PolarHBondContact O-N 3.03Å | ||
| 131 | F | 45.8 | Very low | 52.1 | Low | 158 Ų | 158 | 135.4 Ų | 135.4 | 69% | 0.693 | 75% | 0.747 | S | S | * | * | trans | -71.8 | 94.7 | 168.8 | -179.3 | -102.9 | 0 | 0 | 0 | 109.9 | G133 | F131-G133 VanDerWaalsContact CZ-C 3.44Å; F131-G133 WeakPolarHBondContact CZ-O 3.31Å | ||
| 132 | Q | 57 | Low | 51.7 | Low | 193 Ų | 193 | 134.9 Ų | 134.9 | 90% | 0.902 | 74% | 0.744 | S | S | * | * | trans | -112 | 76.9 | 171.8 | -73.4 | -82.1 | -55.1 | 0 | 0 | 107.7 | G130 | G130-Q132 PolarHBondContact O-N 3.03Š| ||
| 133 | G | 42.5 | Very low | 51.2 | Low | 49 Ų | 49 | 130.9 Ų | 130.9 | 51% | 0.505 | 74% | 0.736 | S | S | . | * | S | Bend | trans | -168.7 | 37.3 | -166.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | F131 | F131-G133 VanDerWaalsContact CZ-C 3.44Å; F131-G133 WeakPolarHBondContact CZ-O 3.31Å |
| 134 | F | 37.9 | Very low | 50.8 | Low | 201 Ų | 201 | 131 Ų | 131 | 88% | 0.882 | 74% | 0.74 | S | S | * | * | trans | 42.4 | 85.4 | 164 | -112.7 | -88.6 | 0 | 0 | 0 | 117.4 | ||||
| 135 | G | 38.9 | Very low | 50 | Low | 62 Ų | 62 | 132 Ų | 132 | 64% | 0.639 | 74% | 0.742 | S | S | * | * | trans | -113.5 | 97.6 | 164.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 136 | F | 40.3 | Very low | 49.5 | Very low | 202 Ų | 202 | 130.3 Ų | 130.3 | 89% | 0.886 | 74% | 0.742 | S | S | * | * | trans | -79.6 | 151.7 | 154.9 | -117.9 | -97.5 | 0 | 0 | 0 | 108.4 | ||||
| 137 | G | 39.5 | Very low | 48.8 | Very low | 68 Ų | 68 | 131 Ų | 131 | 70% | 0.701 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -73.6 | 152 | -161.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 138 | D | 46.4 | Very low | 47.9 | Very low | 172 Ų | 172 | 127.1 Ų | 127.1 | 92% | 0.92 | 74% | 0.743 | S | S | * | * | S | Bend | trans | 72.7 | 154.1 | 161.8 | -147.7 | -2.9 | 0 | 0 | 0 | 118 | ||
| 139 | G | 48 | Very low | 47.8 | Very low | 53 Ų | 53 | 121.4 Ų | 121.4 | 55% | 0.546 | 74% | 0.743 | S | S | . | * | trans | 99.4 | -3.6 | 159.6 | 0 | 0 | 0 | 0 | 0 | 120.7 | F141 | G139-F141 WeakPolarHBondContact O-CE1 3.23Š| ||
| 140 | G | 52 | Low | 47.5 | Very low | 61 Ų | 61 | 126 Ų | 126 | 63% | 0.629 | 74% | 0.744 | S | S | * | * | trans | 84.8 | -154.4 | 168 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 141 | F | 42.3 | Very low | 48.1 | Very low | 160 Ų | 160 | 128.2 Ų | 128.2 | 70% | 0.702 | 75% | 0.747 | S | S | * | * | trans | 45.3 | 103.8 | -177.3 | 44.7 | -102.7 | 0 | 0 | 0 | 118.6 | G139 M143 | G139-F141 WeakPolarHBondContact O-CE1 3.23Å; F141-M143 HydrophobicContact CB-CE 3.85Å; F141-M143 HydrophobicContact CB-SD 3.76Å; F141-M143 HydrophobicContact CD2-CE 3.72Å; F141-M143 HydrophobicContact CD2-SD 3.54Å; F141-M143 VanDerWaalsContact CD2-SD 3.54Å; F141-M143 HydrophobicContact CG-CE 3.9Å; F141-M143 HydrophobicContact CG-SD 4.01Å; F141-M143 PolarHBondContact O-N 3.05Å | ||
| 142 | Q | 50.8 | Low | 48.5 | Very low | 186 Ų | 186 | 128.6 Ų | 128.6 | 87% | 0.869 | 75% | 0.749 | S | S | * | * | trans | -85.1 | 85.1 | 176.1 | -58.1 | -70.6 | -12.3 | 0 | 0 | 111.6 | S144 | Q142-S144 PolarHBondContact O-N 2.9Å; Q142-S144 VanDerWaalsContact O-N 3.14Å | ||
| 143 | M | 49.6 | Very low | 48.3 | Very low | 127 Ų | 127 | 121.5 Ų | 121.5 | 63% | 0.626 | 73% | 0.727 | S | S | * | * | trans | -78.1 | 92 | 172.3 | -73.3 | 80.5 | 172.2 | 0 | 0 | 111.6 | F141 F145 | F141-M143 HydrophobicContact CB-CE 3.85Å; F141-M143 HydrophobicContact CB-SD 3.76Å; F141-M143 HydrophobicContact CD2-CE 3.72Å; F141-M143 HydrophobicContact CD2-SD 3.54Å; F141-M143 VanDerWaalsContact CD2-SD 3.54Å; F141-M143 HydrophobicContact CG-CE 3.9Å; F141-M143 HydrophobicContact CG-SD 4.01Å; F141-M143 PolarHBondContact O-N 3.05Å; M143-F145 HydrophobicContact CB-CD2 4.25Å; M143-F145 HydrophobicContact CB-CE2 4.05Å; M143-F145 WeakPolarHBondContact O-CD2 3.47Å; M143-F145 PolarHBondContact O-N 3.38Å | ||
| 144 | S | 56.5 | Low | 48.9 | Very low | 118 Ų | 118 | 125.8 Ų | 125.8 | 83% | 0.825 | 74% | 0.737 | S | S | * | * | trans | -68.7 | 96.8 | 169.6 | -58.8 | 0 | 0 | 0 | 0 | 111.2 | Q142 G146 | Q142-S144 PolarHBondContact O-N 2.9Å; Q142-S144 VanDerWaalsContact O-N 3.14Å; S144-G146 VanDerWaalsContact C-N 3.32Å; S144-G146 PolarHBondContact O-N 3.2Å | ||
| 145 | F | 54.8 | Low | 49.3 | Very low | 202 Ų | 202 | 124 Ų | 124 | 89% | 0.886 | 73% | 0.729 | S | S | * | * | trans | -69 | 83.8 | 173.9 | -85.9 | -93.6 | 0 | 0 | 0 | 111.6 | M143 | M143-F145 HydrophobicContact CB-CD2 4.25Å; M143-F145 HydrophobicContact CB-CE2 4.05Å; M143-F145 WeakPolarHBondContact O-CD2 3.47Å; M143-F145 PolarHBondContact O-N 3.38Å | ||
| 146 | G | 52.4 | Low | 49.6 | Very low | 60 Ų | 60 | 125.5 Ų | 125.5 | 62% | 0.619 | 74% | 0.735 | S | S | * | * | trans | -128 | 105.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | S144 | S144-G146 VanDerWaalsContact C-N 3.32Å; S144-G146 PolarHBondContact O-N 3.2Å | ||
| 147 | I | 52.6 | Low | 50.2 | Low | 180 Ų | 180 | 120 Ų | 120 | 92% | 0.923 | 72% | 0.718 | S | S | * | * | S | Bend | trans | 67.3 | 108.8 | 173.2 | -49 | 173.5 | 0 | 0 | 0 | 115.2 | ||
| 148 | G | 44.6 | Very low | 50.8 | Low | 62 Ų | 62 | 120 Ų | 120 | 64% | 0.639 | 71% | 0.712 | S | S | * | * | trans | 98.8 | 81.8 | 154.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | F150 | G148-F150 PolarHBondContact O-N 2.93Š| ||
| 149 | A | 54.8 | Low | 51 | Low | 104 Ų | 104 | 120.2 Ų | 120.2 | 86% | 0.86 | 71% | 0.705 | S | S | * | * | trans | -75.7 | 68.8 | 164.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 150 | F | 46.3 | Very low | 51.2 | Low | 166 Ų | 166 | 123.4 Ų | 123.4 | 73% | 0.728 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -144.2 | 136 | 175.5 | -117.6 | -96 | 0 | 0 | 0 | 110.7 | G148 F152 G153 | G148-F150 PolarHBondContact O-N 2.93Å; F150-F152 PolarHBondContact O-N 2.87Å; F150-G153 PolarHBondContact O-N 3.28Å |
| 151 | P | 56.9 | Low | 51.4 | Low | 109 Ų | 109 | 126.4 Ų | 126.4 | 71% | 0.708 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.6 | 2.3 | -168.6 | 26.6 | -35.9 | 0 | 0 | 0 | 116.1 | ||
| 152 | F | 54.8 | Low | 51.6 | Low | 166 Ų | 166 | 126.2 Ų | 126.2 | 73% | 0.728 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.6 | 3.7 | 179.4 | -57 | -69.8 | 0 | 0 | 0 | 113.8 | F150 I154 | F150-F152 PolarHBondContact O-N 2.87Å; F152-I154 PolarHBondContact O-N 2.83Å |
| 153 | G | 51.3 | Low | 51.6 | Low | 43 Ų | 43 | 123.1 Ų | 123.1 | 44% | 0.443 | 71% | 0.705 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -63.1 | -5.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | F150 F155 | F150-G153 PolarHBondContact O-N 3.28Å; G153-F155 VanDerWaalsContact C-N 3.33Å; G153-F155 PolarHBondContact O-N 3.45Å |
| 154 | I | 56.2 | Low | 51.5 | Low | 139 Ų | 139 | 120.3 Ų | 120.3 | 71% | 0.713 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.4 | -27.8 | -176.8 | -59.4 | 178.3 | 0 | 0 | 0 | 112.2 | F152 | F152-I154 PolarHBondContact O-N 2.83Š|
| 155 | F | 47.2 | Very low | 51.3 | Low | 165 Ų | 165 | 125.8 Ų | 125.8 | 72% | 0.724 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.8 | -24.9 | -174.5 | -87 | -83.8 | 0 | 0 | 0 | 115.5 | G153 T157 | G153-F155 VanDerWaalsContact C-N 3.33Å; G153-F155 PolarHBondContact O-N 3.45Å; F155-T157 VanDerWaalsContact C-N 3.33Å |
| 156 | A | 45.2 | Very low | 51.6 | Low | 92 Ų | 92 | 121 Ų | 121 | 76% | 0.76 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | -28.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 157 | T | 51.1 | Low | 51.9 | Low | 86 Ų | 86 | 123.5 Ų | 123.5 | 53% | 0.528 | 71% | 0.706 | S | S | . | * | S | Bend | trans | -84.3 | -17.6 | -170.8 | -47.2 | 0 | 0 | 0 | 0 | 112.9 | F155 I161 | F155-T157 VanDerWaalsContact C-N 3.33Å; T157-I161 HydrophobicContact CG2-CD1 3.48Å; T157-I161 VanDerWaalsContact CG2-CD1 3.48Å; T157-I161 VanDerWaalsContact O-CD1 3.31Å; T157-I161 WeakPolarHBondContact O-CD1 3.3Å |
| 158 | A | 53.7 | Low | 52.3 | Low | 70 Ų | 70 | 121 Ų | 121 | 58% | 0.579 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -87.8 | -13.2 | -166.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 159 | F | 50.7 | Low | 52.9 | Low | 175 Ų | 175 | 119.5 Ų | 119.5 | 77% | 0.768 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -117.1 | -1.3 | -168.9 | -73.9 | -72.1 | 0 | 0 | 0 | 116.3 | ||
| 160 | N | 52.3 | Low | 53.3 | Low | 120 Ų | 120 | 117.4 Ų | 117.4 | 64% | 0.642 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -155.4 | 71.5 | 171.2 | -151 | -105.9 | 0 | 0 | 0 | 114 | ||
| 161 | I | 54.3 | Low | 53.7 | Low | 125 Ų | 125 | 115.3 Ų | 115.3 | 64% | 0.641 | 67% | 0.669 | S | S | * | * | trans | -128.1 | -7.6 | 176.6 | -74.2 | -169 | 0 | 0 | 0 | 114 | T157 | T157-I161 HydrophobicContact CG2-CD1 3.48Å; T157-I161 VanDerWaalsContact CG2-CD1 3.48Å; T157-I161 VanDerWaalsContact O-CD1 3.31Å; T157-I161 WeakPolarHBondContact O-CD1 3.3Å | ||
| 162 | N | 47.6 | Very low | 54.1 | Low | 156 Ų | 156 | 114.1 Ų | 114.1 | 83% | 0.834 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -79.7 | -27.1 | 174.9 | -168.6 | 82.3 | 0 | 0 | 0 | 113.5 | G164 | N162-G164 PolarHBondContact O-N 2.79Š|
| 163 | D | 50.8 | Low | 54.9 | Low | 120 Ų | 120 | 108.6 Ų | 108.6 | 64% | 0.642 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -79 | 91.5 | 176.6 | -68.6 | -63.2 | 0 | 0 | 0 | 110.2 | R165 | D163-R165 PolarHBondContact O-N 3.22Š|
| 164 | G | 46.6 | Very low | 55.8 | Low | 68 Ų | 68 | 111.1 Ų | 111.1 | 70% | 0.701 | 67% | 0.665 | S | S | * | * | trans | -56.9 | 105.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | N162 P166 | N162-G164 PolarHBondContact O-N 2.79Å; G164-P166 VanDerWaalsContact O-CD 3.3Å; G164-P166 WeakPolarHBondContact O-CD 3.21Å; G164-P166 VanDerWaalsContact O-N 3.12Å | ||
| 165 | R | 53.4 | Low | 56.2 | Low | 233 Ų | 233 | 111 Ų | 111 | 88% | 0.879 | 66% | 0.661 | S | S | * | * | trans | -48.8 | 115.3 | -178.6 | -174.2 | -179 | -173.8 | 87 | 3.3 | 110.6 | D163 | D163-R165 PolarHBondContact O-N 3.22Š| ||
| 166 | P | 60.1 | Low | 57.2 | Low | 101 Ų | 101 | 106 Ų | 106 | 66% | 0.656 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 147.9 | 174.5 | -24.6 | 34.8 | 0 | 0 | 0 | 110.7 | G164 | G164-P166 VanDerWaalsContact O-CD 3.3Å; G164-P166 WeakPolarHBondContact O-CD 3.21Å; G164-P166 VanDerWaalsContact O-N 3.12Å |
| 167 | P | 60 | Low | 58.7 | Low | 113 Ų | 113 | 105.9 Ų | 105.9 | 73% | 0.734 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 145.8 | 169.1 | 26.8 | -34.2 | 0 | 0 | 0 | 109.3 | A169 | P167-A169 PolarHBondContact O-N 3Š|
| 168 | P | 60.2 | Low | 59.9 | Low | 127 Ų | 127 | 106.3 Ų | 106.3 | 83% | 0.825 | 63% | 0.629 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 127.3 | -179.5 | 23.2 | -33.5 | 0 | 0 | 0 | 109.9 | A170 | P168-A170 PolarHBondContact O-N 2.94Š|
| 169 | A | 58.1 | Low | 61 | Low | 31 Ų | 31 | 108.8 Ų | 108.8 | 26% | 0.256 | 63% | 0.629 | S | S | . | * | P | Polyproline II helix | trans | -55.1 | 131.6 | -169.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | P167 Q175 H176 | P167-A169 PolarHBondContact O-N 3Å; A169-Q175 HydrophobicContact CB-CB 4.5Å; A169-H176 HydrophobicContact CB-CB 4.2Å; A169-H176 PolarHBondContact O-CD2 3.41Å; A169-H176 VanDerWaalsContact O-CD2 3.28Å |
| 170 | A | 61.8 | Low | 62.5 | Low | 61 Ų | 61 | 104.9 Ų | 104.9 | 50% | 0.504 | 61% | 0.613 | S | S | . | * | P | Polyproline II helix | trans | -60.5 | 134.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | P168 G172 T173 | P168-A170 PolarHBondContact O-N 2.94Å; A170-G172 PolarHBondContact O-N 3.23Å; A170-T173 HydrophobicContact CB-CG2 4.32Å; A170-T173 PolarHBondContact O-N 3.28Å; A170-T173 VanDerWaalsContact O-N 3.11Å; A170-T173 PolarHBondContact O-OG1 3.05Å |
| 171 | P | 55.2 | Low | 64.2 | Low | 121 Ų | 121 | 105.8 Ų | 105.8 | 79% | 0.786 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.4 | 127.5 | 178.8 | -28.3 | 35.8 | 0 | 0 | 0 | 112 | ||
| 172 | G | 65.3 | Low | 65.7 | Low | 84 Ų | 84 | 104.4 Ų | 104.4 | 87% | 0.866 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 98.6 | -2.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | A170 | A170-G172 PolarHBondContact O-N 3.23Š|
| 173 | T | 71.3 | Confident | 67.5 | Low | 51 Ų | 51 | 99.9 Ų | 99.9 | 31% | 0.313 | 59% | 0.586 | S | S | . | * | S | Bend | trans | -82.1 | 146.6 | 168.4 | 55.1 | 0 | 0 | 0 | 0 | 111.6 | A170 Q175 H176 | A170-T173 HydrophobicContact CB-CG2 4.32Å; A170-T173 PolarHBondContact O-N 3.28Å; A170-T173 VanDerWaalsContact O-N 3.11Å; A170-T173 PolarHBondContact O-OG1 3.05Å; T173-Q175 VanDerWaalsContact C-N 3.26Å; T173-Q175 PolarHBondContact O-N 3.19Å; T173-H176 WeakPolarHBondContact O-CB 3.35Å; T173-H176 PolarHBondContact O-N 3.28Å |
| 174 | P | 70.4 | Confident | 69.3 | Low | 95 Ų | 95 | 102.9 Ų | 102.9 | 62% | 0.617 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -63.4 | -30.6 | -177.3 | 24.3 | -33.9 | 0 | 0 | 0 | 113.2 | H176 T177 D178 | P174-H176 PolarHBondContact O-N 2.95Å; P174-T177 PolarHBondContact O-N 3.2Å; P174-T177 PolarHBondContact O-OG1 3.29Å; P174-D178 PolarHBondContact O-N 3.28Å |
| 175 | Q | 63.9 | Low | 71.6 | Confident | 136 Ų | 136 | 103.6 Ų | 103.6 | 64% | 0.636 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -58.7 | -32.7 | 173.5 | -62.6 | -172.7 | -68.8 | 0 | 0 | 111.9 | A169 T173 T177 D178 E179 | A169-Q175 HydrophobicContact CB-CB 4.5Å; T173-Q175 VanDerWaalsContact C-N 3.26Å; T173-Q175 PolarHBondContact O-N 3.19Å; Q175-T177 VanDerWaalsContact C-N 3.31Å; Q175-T177 PolarHBondContact O-N 2.76Å; Q175-D178 PolarHBondContact O-N 3.36Å; Q175-E179 WeakPolarHBondContact O-CB 3.27Å; Q175-E179 VanDerWaalsContact O-CG 3.27Å; Q175-E179 WeakPolarHBondContact O-CG 3.48Å; Q175-E179 PolarHBondContact O-N 2.99Å |
| 176 | H | 69.1 | Low | 73.5 | Confident | 62 Ų | 62 | 99.9 Ų | 99.9 | 29% | 0.287 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -68.8 | -28.8 | 178.3 | -159.2 | -28.7 | 0 | 0 | 0 | 112.4 | A169 T173 P174 Q180 | A169-H176 HydrophobicContact CB-CB 4.2Å; A169-H176 PolarHBondContact O-CD2 3.41Å; A169-H176 VanDerWaalsContact O-CD2 3.28Å; T173-H176 WeakPolarHBondContact O-CB 3.35Å; T173-H176 PolarHBondContact O-N 3.28Å; P174-H176 PolarHBondContact O-N 2.95Å; H176-Q180 PolarHBondContact CE1-NE2 2.9Å; H176-Q180 WeakPolarHBondContact O-CG 3.48Å; H176-Q180 PolarHBondContact O-N 3.48Å |
| 177 | T | 76.7 | Confident | 75 | Confident | 88 Ų | 88 | 100.4 Ų | 100.4 | 54% | 0.54 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -73.4 | -37.5 | 170.9 | 31.1 | 0 | 0 | 0 | 0 | 112.3 | P174 Q175 Q180 F181 | P174-T177 PolarHBondContact O-N 3.2Å; P174-T177 PolarHBondContact O-OG1 3.29Å; Q175-T177 VanDerWaalsContact C-N 3.31Å; Q175-T177 PolarHBondContact O-N 2.76Å; T177-Q180 PolarHBondContact O-N 2.67Å; T177-F181 PolarHBondContact O-N 2.9Å |
| 178 | D | 76.8 | Confident | 76.6 | Confident | 95 Ų | 95 | 101.5 Ų | 101.5 | 51% | 0.508 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -67 | -45.4 | 178 | -58.9 | -35.8 | 0 | 0 | 0 | 111.3 | P174 Q175 Q180 F181 L182 | P174-D178 PolarHBondContact O-N 3.28Å; Q175-D178 PolarHBondContact O-N 3.36Å; D178-Q180 VanDerWaalsContact C-N 3.3Å; D178-Q180 PolarHBondContact O-N 3.46Å; D178-F181 WeakPolarHBondContact O-CB 3.39Å; D178-F181 PolarHBondContact O-N 2.88Å; D178-F181 VanDerWaalsContact O-N 3.07Å; D178-L182 WeakPolarHBondContact O-CG 3.38Å; D178-L182 PolarHBondContact O-N 3.5Å |
| 179 | E | 76.5 | Confident | 78.3 | Confident | 123 Ų | 123 | 99 Ų | 99 | 58% | 0.575 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -59.1 | -38.1 | 173.8 | -70.4 | -68.1 | 147.4 | 0 | 0 | 112.4 | Q175 S183 | Q175-E179 WeakPolarHBondContact O-CB 3.27Å; Q175-E179 VanDerWaalsContact O-CG 3.27Å; Q175-E179 WeakPolarHBondContact O-CG 3.48Å; Q175-E179 PolarHBondContact O-N 2.99Å; E179-S183 WeakPolarHBondContact O-CB 3.46Å; E179-S183 PolarHBondContact O-N 3.07Å; E179-S183 PolarHBondContact O-OG 3.01Å |
| 180 | Q | 81.9 | Confident | 79.9 | Confident | 93 Ų | 93 | 99.7 Ų | 99.7 | 44% | 0.435 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -70.5 | -30.1 | 174.7 | -78.6 | -175.5 | 6.5 | 0 | 0 | 113 | H176 T177 D178 S183 R184 | H176-Q180 PolarHBondContact CE1-NE2 2.9Å; H176-Q180 WeakPolarHBondContact O-CG 3.48Å; H176-Q180 PolarHBondContact O-N 3.48Å; T177-Q180 PolarHBondContact O-N 2.67Å; D178-Q180 VanDerWaalsContact C-N 3.3Å; D178-Q180 PolarHBondContact O-N 3.46Å; Q180-S183 WeakPolarHBondContact CA-OG 3.35Å; Q180-S183 PolarHBondContact O-OG 3.36Å; Q180-R184 WeakPolarHBondContact O-CB 3.47Å; Q180-R184 WeakPolarHBondContact O-CD 3.33Å; Q180-R184 VanDerWaalsContact O-CG 3.22Å; Q180-R184 WeakPolarHBondContact O-CG 3.34Å; Q180-R184 PolarHBondContact O-N 3.35Å |
| 181 | F | 87.2 | Confident | 81.5 | Confident | 138 Ų | 138 | 102.4 Ų | 102.4 | 61% | 0.605 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -72.6 | -48.9 | 172.9 | -177.7 | -97.1 | 0 | 0 | 0 | 111.2 | T177 D178 S183 R184 L185 | T177-F181 PolarHBondContact O-N 2.9Å; D178-F181 WeakPolarHBondContact O-CB 3.39Å; D178-F181 PolarHBondContact O-N 2.88Å; D178-F181 VanDerWaalsContact O-N 3.07Å; F181-S183 PolarHBondContact O-N 3.33Å; F181-R184 PolarHBondContact O-N 2.7Å; F181-L185 HydrophobicContact CE1-CD2 4.13Å; F181-L185 WeakPolarHBondContact O-CB 3.38Å; F181-L185 PolarHBondContact O-N 2.99Å |
| 182 | L | 87.3 | Confident | 83.4 | Confident | 96 Ų | 96 | 100.3 Ų | 100.3 | 50% | 0.503 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -60.5 | -45.3 | -179.8 | -70.6 | 169.2 | 0 | 0 | 0 | 112.3 | D178 R184 L185 F186 | D178-L182 WeakPolarHBondContact O-CG 3.38Å; D178-L182 PolarHBondContact O-N 3.5Å; L182-R184 PolarHBondContact O-N 2.86Å; L182-L185 PolarHBondContact O-N 3.28Å; L182-F186 WeakPolarHBondContact O-CB 3.39Å; L182-F186 PolarHBondContact O-N 3.27Å |
| 183 | S | 84.9 | Confident | 84.7 | Confident | 62 Ų | 62 | 101.5 Ų | 101.5 | 43% | 0.434 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64 | -39.6 | 177.3 | 51.6 | 0 | 0 | 0 | 0 | 113 | E179 Q180 F181 L187 | E179-S183 WeakPolarHBondContact O-CB 3.46Å; E179-S183 PolarHBondContact O-N 3.07Å; E179-S183 PolarHBondContact O-OG 3.01Å; Q180-S183 WeakPolarHBondContact CA-OG 3.35Å; Q180-S183 PolarHBondContact O-OG 3.36Å; F181-S183 PolarHBondContact O-N 3.33Å; S183-L187 WeakPolarHBondContact O-CG 3.33Å; S183-L187 PolarHBondContact O-N 3.14Å; S183-L187 VanDerWaalsContact O-N 3.11Å |
| 184 | R | 89.4 | Confident | 85.7 | Confident | 183 Ų | 183 | 104.6 Ų | 104.6 | 69% | 0.691 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -66.1 | -43.3 | 173.7 | -73.8 | 175 | -179.2 | -167.1 | 1.9 | 112.3 | Q180 F181 L182 L187 F188 | Q180-R184 WeakPolarHBondContact O-CB 3.47Å; Q180-R184 WeakPolarHBondContact O-CD 3.33Å; Q180-R184 VanDerWaalsContact O-CG 3.22Å; Q180-R184 WeakPolarHBondContact O-CG 3.34Å; Q180-R184 PolarHBondContact O-N 3.35Å; F181-R184 PolarHBondContact O-N 2.7Å; L182-R184 PolarHBondContact O-N 2.86Å; R184-L187 PolarHBondContact O-N 3.4Å; R184-F188 WeakPolarHBondContact O-CB 3.47Å; R184-F188 PolarHBondContact O-N 2.94Å |
| 185 | L | 94.4 | Very high | 86.9 | Confident | 83 Ų | 83 | 106.8 Ų | 106.8 | 44% | 0.435 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63 | -45 | 177.8 | -179.7 | 62.5 | 0 | 0 | 0 | 111.3 | F181 L182 F188 V189 | F181-L185 HydrophobicContact CE1-CD2 4.13Å; F181-L185 WeakPolarHBondContact O-CB 3.38Å; F181-L185 PolarHBondContact O-N 2.99Å; L182-L185 PolarHBondContact O-N 3.28Å; L185-F188 PolarHBondContact O-N 3.11Å; L185-V189 HydrophobicContact CD1-CG2 4.43Å; L185-V189 WeakPolarHBondContact O-CG2 3.42Å; L185-V189 PolarHBondContact O-N 3.45Å |
| 186 | F | 92.8 | Very high | 88.4 | Confident | 154 Ų | 154 | 108.3 Ų | 108.3 | 68% | 0.675 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -62.2 | -45.6 | 178.2 | -175.5 | -97.9 | 0 | 0 | 0 | 112.1 | L182 F188 V189 A190 | L182-F186 WeakPolarHBondContact O-CB 3.39Å; L182-F186 PolarHBondContact O-N 3.27Å; F186-F188 VanDerWaalsContact C-N 3.34Å; F186-F188 PolarHBondContact O-N 3.18Å; F186-V189 PolarHBondContact O-N 3.3Å; F186-A190 WeakPolarHBondContact O-CB 3.39Å; F186-A190 PolarHBondContact O-N 3.23Å |
| 187 | L | 90.9 | Very high | 89.4 | Confident | 112 Ų | 112 | 110.8 Ų | 110.8 | 59% | 0.586 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -62.4 | -39.4 | 175.4 | -72.3 | 171.6 | 0 | 0 | 0 | 112.3 | S183 R184 A190 L191 | S183-L187 WeakPolarHBondContact O-CG 3.33Å; S183-L187 PolarHBondContact O-N 3.14Å; S183-L187 VanDerWaalsContact O-N 3.11Å; R184-L187 PolarHBondContact O-N 3.4Å; L187-A190 PolarHBondContact O-N 3.49Å; L187-L191 WeakPolarHBondContact O-CB 3.46Å; L187-L191 VanDerWaalsContact O-CG 3.3Å; L187-L191 WeakPolarHBondContact O-CG 3.34Å; L187-L191 PolarHBondContact O-N 3.37Å |
| 188 | F | 94.9 | Very high | 89.9 | Confident | 137 Ų | 137 | 112.6 Ų | 112.6 | 60% | 0.601 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -63.2 | -48.1 | 175.4 | -179.9 | -97.6 | 0 | 0 | 0 | 112 | R184 L185 F186 A190 L191 V192 | R184-F188 WeakPolarHBondContact O-CB 3.47Å; R184-F188 PolarHBondContact O-N 2.94Å; L185-F188 PolarHBondContact O-N 3.11Å; F186-F188 VanDerWaalsContact C-N 3.34Å; F186-F188 PolarHBondContact O-N 3.18Å; F188-A190 VanDerWaalsContact C-N 3.35Å; F188-A190 PolarHBondContact O-N 3.48Å; F188-L191 PolarHBondContact O-N 2.98Å; F188-V192 HydrophobicContact CD1-CG2 4.34Å; F188-V192 HydrophobicContact CE1-CG2 3.94Å; F188-V192 HydrophobicContact CE2-CG2 4.41Å; F188-V192 HydrophobicContact CZ-CG2 3.98Å; F188-V192 WeakPolarHBondContact O-CG2 3.3Å; F188-V192 PolarHBondContact O-N 3.31Å |
| 189 | V | 95.1 | Very high | 90.4 | Very high | 74 Ų | 74 | 113.7 Ų | 113.7 | 45% | 0.448 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -61.9 | -42.3 | 177.2 | 172.4 | 0 | 0 | 0 | 0 | 111.2 | L185 F186 L191 V192 M193 | L185-V189 HydrophobicContact CD1-CG2 4.43Å; L185-V189 WeakPolarHBondContact O-CG2 3.42Å; L185-V189 PolarHBondContact O-N 3.45Å; F186-V189 PolarHBondContact O-N 3.3Å; V189-L191 PolarHBondContact O-N 2.99Å; V189-V192 PolarHBondContact O-N 3.46Å; V189-M193 WeakPolarHBondContact O-CG 3.5Å; V189-M193 PolarHBondContact O-N 2.91Å |
| 190 | A | 93.1 | Very high | 90.3 | Very high | 46 Ų | 46 | 113.9 Ų | 113.9 | 38% | 0.38 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -61.1 | -43.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | F186 L187 F188 M193 M194 | F186-A190 WeakPolarHBondContact O-CB 3.39Å; F186-A190 PolarHBondContact O-N 3.23Å; L187-A190 PolarHBondContact O-N 3.49Å; F188-A190 VanDerWaalsContact C-N 3.35Å; F188-A190 PolarHBondContact O-N 3.48Å; A190-M193 PolarHBondContact O-N 3.39Å; A190-M194 WeakPolarHBondContact O-CB 3.32Å; A190-M194 PolarHBondContact O-N 3Å |
| 191 | L | 94.3 | Very high | 90.7 | Very high | 118 Ų | 118 | 114.9 Ų | 114.9 | 62% | 0.618 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -64.4 | -40.9 | 175.8 | -72.8 | 170.5 | 0 | 0 | 0 | 112.3 | L187 F188 V189 M194 F195 | L187-L191 WeakPolarHBondContact O-CB 3.46Å; L187-L191 VanDerWaalsContact O-CG 3.3Å; L187-L191 WeakPolarHBondContact O-CG 3.34Å; L187-L191 PolarHBondContact O-N 3.37Å; F188-L191 PolarHBondContact O-N 2.98Å; V189-L191 PolarHBondContact O-N 2.99Å; L191-M194 PolarHBondContact O-N 3.48Å; L191-F195 VanDerWaalsContact O-CB 3.29Å; L191-F195 WeakPolarHBondContact O-CB 3.39Å; L191-F195 PolarHBondContact O-N 3.01Å |
| 192 | V | 95.2 | Very high | 90.9 | Very high | 76 Ų | 76 | 113.7 Ų | 113.7 | 46% | 0.461 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -62.6 | -44.5 | 175.6 | 170 | 0 | 0 | 0 | 0 | 111.2 | F188 V189 F195 W196 | F188-V192 HydrophobicContact CD1-CG2 4.34Å; F188-V192 HydrophobicContact CE1-CG2 3.94Å; F188-V192 HydrophobicContact CE2-CG2 4.41Å; F188-V192 HydrophobicContact CZ-CG2 3.98Å; F188-V192 WeakPolarHBondContact O-CG2 3.3Å; F188-V192 PolarHBondContact O-N 3.31Å; V189-V192 PolarHBondContact O-N 3.46Å; V192-F195 PolarHBondContact O-N 3.34Å; V192-W196 WeakPolarHBondContact O-CB 3.22Å; V192-W196 PolarHBondContact O-N 2.97Å |
| 193 | M | 92.4 | Very high | 91.1 | Very high | 110 Ų | 110 | 114.7 Ų | 114.7 | 54% | 0.542 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -66.2 | -39.9 | 176.4 | -69.9 | -157.8 | 75.1 | 0 | 0 | 112.6 | V189 A190 W196 L197 | V189-M193 WeakPolarHBondContact O-CG 3.5Å; V189-M193 PolarHBondContact O-N 2.91Å; A190-M193 PolarHBondContact O-N 3.39Å; M193-W196 PolarHBondContact O-N 3.11Å; M193-L197 WeakPolarHBondContact O-CB 3.48Å; M193-L197 WeakPolarHBondContact O-CG 3.29Å; M193-L197 PolarHBondContact O-N 3.27Å |
| 194 | M | 92.8 | Very high | 91.5 | Very high | 116 Ų | 116 | 117.8 Ų | 117.8 | 57% | 0.571 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -69.2 | -35.1 | 178.8 | -151.7 | -157.1 | 94.2 | 0 | 0 | 112.2 | A190 L191 L198 | A190-M194 WeakPolarHBondContact O-CB 3.32Å; A190-M194 PolarHBondContact O-N 3Å; L191-M194 PolarHBondContact O-N 3.48Å; M194-L198 HydrophobicContact CE-CD1 3.59Å; M194-L198 HydrophobicContact CE-CG 4.48Å; M194-L198 WeakPolarHBondContact O-CG 3.41Å; M194-L198 PolarHBondContact O-N 2.92Å |
| 195 | F | 95.6 | Very high | 91.6 | Very high | 141 Ų | 141 | 113.7 Ų | 113.7 | 62% | 0.618 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -67.8 | -40.2 | 173 | -178.9 | -105.4 | 0 | 0 | 0 | 111.9 | L191 V192 L198 I199 | L191-F195 VanDerWaalsContact O-CB 3.29Å; L191-F195 WeakPolarHBondContact O-CB 3.39Å; L191-F195 PolarHBondContact O-N 3.01Å; V192-F195 PolarHBondContact O-N 3.34Å; F195-L198 PolarHBondContact O-N 3.5Å; F195-I199 HydrophobicContact CD1-CD1 4.01Å; F195-I199 HydrophobicContact CD2-CD1 4.16Å; F195-I199 HydrophobicContact CE1-CD1 3.52Å; F195-I199 HydrophobicContact CE2-CD1 3.69Å; F195-I199 HydrophobicContact CG-CD1 4.31Å; F195-I199 HydrophobicContact CZ-CD1 3.35Å |
| 196 | W | 94.6 | Very high | 91.4 | Very high | 168 Ų | 168 | 115.7 Ų | 115.7 | 64% | 0.636 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -62.6 | -43.7 | 174.7 | -171.9 | 76.9 | 0 | 0 | 0 | 111.9 | V192 M193 L198 I199 A200 | V192-W196 WeakPolarHBondContact O-CB 3.22Å; V192-W196 PolarHBondContact O-N 2.97Å; M193-W196 PolarHBondContact O-N 3.11Å; W196-L198 PolarHBondContact O-N 3.42Å; W196-I199 PolarHBondContact O-N 3.36Å; W196-A200 PolarHBondContact O-N 3.19Å; W196-A200 VanDerWaalsContact O-N 3.14Å |
| 197 | L | 90.3 | Very high | 91.3 | Very high | 113 Ų | 113 | 113 Ų | 113 | 59% | 0.592 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70 | -5.3 | 174.7 | -70.7 | 171.3 | 0 | 0 | 0 | 115 | M193 | M193-L197 WeakPolarHBondContact O-CB 3.48Å; M193-L197 WeakPolarHBondContact O-CG 3.29Å; M193-L197 PolarHBondContact O-N 3.27Å |
| 198 | L | 87.6 | Confident | 91.3 | Very high | 126 Ų | 126 | 113.1 Ų | 113.1 | 66% | 0.66 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.4 | -4.1 | 172.7 | -80.3 | 173.8 | 0 | 0 | 0 | 113.3 | M194 F195 W196 | M194-L198 HydrophobicContact CE-CD1 3.59Å; M194-L198 HydrophobicContact CE-CG 4.48Å; M194-L198 WeakPolarHBondContact O-CG 3.41Å; M194-L198 PolarHBondContact O-N 2.92Å; F195-L198 PolarHBondContact O-N 3.5Å; W196-L198 PolarHBondContact O-N 3.42Å |
| 199 | I | 86.8 | Confident | 91 | Very high | 119 Ų | 119 | 111.1 Ų | 111.1 | 61% | 0.61 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.2 | -17.7 | -174.7 | -68.4 | 174.3 | 0 | 0 | 0 | 111.9 | F195 W196 | F195-I199 HydrophobicContact CD1-CD1 4.01Å; F195-I199 HydrophobicContact CD2-CD1 4.16Å; F195-I199 HydrophobicContact CE1-CD1 3.52Å; F195-I199 HydrophobicContact CE2-CD1 3.69Å; F195-I199 HydrophobicContact CG-CD1 4.31Å; F195-I199 HydrophobicContact CZ-CD1 3.35Å; W196-I199 PolarHBondContact O-N 3.36Å |
| 200 | A | 74.7 | Confident | 90.7 | Very high | 126 Ų | 126 | 114.5 Ų | 114.5 | 100% | 1.041 | 61% | 0.612 | S | S | * | * | trans | -90.7 | 0 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | W196 | W196-A200 PolarHBondContact O-N 3.19Å; W196-A200 VanDerWaalsContact O-N 3.14Å |
Retrieved 200 of 200 residues in 112.4 ms
(Link to these results)