| 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 | 33.9 | Very low | 34.8 | Very low | 248 Ų | 248 | 140 Ų | 140 | 100% | 1.222 | 85% | 0.85 | S | S | * | * | 0 | 128.3 | 0 | -74.9 | 156.6 | 160.5 | 0 | 0 | 107.2 | |||||
| 2 | A | 35.3 | Very low | 34.8 | Very low | 94 Ų | 94 | 144.7 Ų | 144.7 | 78% | 0.777 | 85% | 0.851 | S | S | * | * | cis | -165.7 | 130.2 | -17.3 | 0 | 0 | 0 | 0 | 0 | 101.4 | ||||
| 3 | C | 28.3 | Very low | 35.7 | Very low | 141 Ų | 141 | 142.5 Ų | 142.5 | 95% | 0.953 | 84% | 0.844 | S | S | * | * | trans | -104.1 | 130.4 | 179.6 | -65.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 4 | D | 34.9 | Very low | 35.7 | Very low | 150 Ų | 150 | 143.1 Ų | 143.1 | 80% | 0.802 | 84% | 0.841 | S | S | * | * | trans | -70.5 | 157.4 | 176.2 | -75.6 | -56.4 | 0 | 0 | 0 | 113.9 | ||||
| 5 | D | 35.7 | Very low | 35.7 | Very low | 148 Ų | 148 | 142.1 Ų | 142.1 | 79% | 0.791 | 84% | 0.838 | S | S | * | * | trans | 68.8 | 118.7 | 143.8 | -86 | -32.9 | 0 | 0 | 0 | 123.5 | ||||
| 6 | A | 36.1 | Very low | 35.6 | Very low | 91 Ų | 91 | 141.5 Ų | 141.5 | 75% | 0.752 | 84% | 0.835 | S | S | * | * | 50.7 | 127.2 | 124.4 | 0 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 7 | S | 37.2 | Very low | 35.6 | Very low | 118 Ų | 118 | 143.6 Ų | 143.6 | 83% | 0.825 | 84% | 0.837 | S | S | * | * | trans | -53.3 | 165.9 | 179.6 | -48 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 8 | P | 43.2 | Very low | 35.9 | Very low | 122 Ų | 122 | 142.3 Ų | 142.3 | 79% | 0.792 | 83% | 0.834 | S | S | * | * | -149.2 | 169.3 | 89.1 | 33.9 | -13 | 0 | 0 | 0 | 116.9 | |||||
| 9 | A | 35.5 | Very low | 36.1 | Very low | 93 Ų | 93 | 148.2 Ų | 148.2 | 77% | 0.769 | 84% | 0.841 | S | S | * | * | trans | -7 | 132.3 | 164.2 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 10 | E | 33.1 | Very low | 36.1 | Very low | 183 Ų | 183 | 144.6 Ų | 144.6 | 86% | 0.855 | 84% | 0.838 | S | S | * | * | trans | -142.1 | 101 | 159.3 | -67.9 | -78 | 133.1 | 0 | 0 | 105.6 | ||||
| 11 | D | 29.7 | Very low | 36.4 | Very low | 152 Ų | 152 | 142 Ų | 142 | 81% | 0.813 | 83% | 0.834 | S | S | * | * | 56.8 | 117.7 | 93.6 | -145.5 | 14.4 | 0 | 0 | 0 | 115 | |||||
| 12 | F | 35.3 | Very low | 36.9 | Very low | 196 Ų | 196 | 136.1 Ų | 136.1 | 86% | 0.86 | 81% | 0.814 | S | S | * | * | trans | -86.5 | 142.7 | -180 | -85.3 | -93.6 | 0 | 0 | 0 | 110.2 | ||||
| 13 | P | 46.5 | Very low | 37.1 | Very low | 117 Ų | 117 | 137.7 Ų | 137.7 | 76% | 0.76 | 82% | 0.818 | S | S | * | * | trans | -130.3 | 131.7 | 136.8 | 30.1 | -15.7 | 0 | 0 | 0 | 112.4 | ||||
| 14 | D | 35.7 | Very low | 38 | Very low | 151 Ų | 151 | 139.6 Ų | 139.6 | 81% | 0.807 | 82% | 0.815 | S | S | * | * | trans | -51.2 | 140.1 | 159 | -78.3 | -48.4 | 0 | 0 | 0 | 110.3 | ||||
| 15 | T | 35.2 | Very low | 38.4 | Very low | 128 Ų | 128 | 138.6 Ų | 138.6 | 79% | 0.785 | 82% | 0.818 | S | S | * | * | 157.7 | 137.8 | 112.5 | -41.9 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 16 | V | 34.6 | Very low | 38.7 | Very low | 132 Ų | 132 | 134.7 Ų | 134.7 | 80% | 0.8 | 81% | 0.813 | S | S | * | * | trans | 94.1 | 99.5 | 156.4 | -160.6 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 17 | M | 35.2 | Very low | 39.5 | Very low | 177 Ų | 177 | 140.3 Ų | 140.3 | 87% | 0.872 | 82% | 0.821 | S | S | * | * | trans | -64.4 | 136.4 | 162.9 | -66.9 | -89.5 | 178.7 | 0 | 0 | 112.8 | ||||
| 18 | P | 41.2 | Very low | 40.3 | Very low | 121 Ų | 121 | 144.1 Ų | 144.1 | 79% | 0.786 | 82% | 0.822 | S | S | * | * | trans | -92.2 | 127.1 | 156.6 | 25.2 | -13.1 | 0 | 0 | 0 | 110.8 | G20 | P18-G20 PolarHBondContact O-N 3.23Š| ||
| 19 | R | 38.8 | Very low | 40.6 | Very low | 253 Ų | 253 | 144.7 Ų | 144.7 | 96% | 0.955 | 83% | 0.827 | S | S | * | * | trans | -55.9 | 114.7 | 175.5 | -70.9 | 176.4 | 174.9 | -164.3 | -2.2 | 111.1 | ||||
| 20 | G | 37.4 | Very low | 41.4 | Very low | 76 Ų | 76 | 150.7 Ų | 150.7 | 78% | 0.784 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 128.1 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | P18 | P18-G20 PolarHBondContact O-N 3.23Š|
| 21 | A | 41.3 | Very low | 42.3 | Very low | 92 Ų | 92 | 144.9 Ų | 144.9 | 76% | 0.76 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 148.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | C23 | A21-C23 PolarHBondContact O-N 3.38Š|
| 22 | P | 44.8 | Very low | 43.6 | Very low | 123 Ų | 123 | 148 Ų | 148 | 80% | 0.799 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 126.4 | 179.1 | 28.9 | -31.4 | 0 | 0 | 0 | 110.9 | M24 | P22-M24 PolarHBondContact O-N 2.99Š|
| 23 | C | 39.8 | Very low | 44.6 | Very low | 127 Ų | 127 | 143.2 Ų | 143.2 | 86% | 0.858 | 81% | 0.811 | S | S | * | * | trans | -69.1 | 108.9 | 170.2 | 51.3 | 0 | 0 | 0 | 0 | 110.3 | A21 C25 | A21-C23 PolarHBondContact O-N 3.38Å; C23-C25 PolarHBondContact O-N 3.47Å | ||
| 24 | M | 47.4 | Very low | 45.3 | Very low | 182 Ų | 182 | 139.3 Ų | 139.3 | 90% | 0.897 | 79% | 0.792 | S | S | * | * | trans | -77.3 | 107.9 | 166.5 | -73.2 | -147.7 | 68.1 | 0 | 0 | 109.7 | P22 | P22-M24 PolarHBondContact O-N 2.99Š| ||
| 25 | C | 42.7 | Very low | 46.7 | Very low | 128 Ų | 128 | 136.6 Ų | 136.6 | 87% | 0.865 | 79% | 0.785 | S | S | * | * | trans | -83.1 | 119.2 | 169.7 | -162.6 | 0 | 0 | 0 | 0 | 109.8 | C23 | C23-C25 PolarHBondContact O-N 3.47Š| ||
| 26 | G | 41 | Very low | 48.5 | Very low | 66 Ų | 66 | 133.8 Ų | 133.8 | 68% | 0.68 | 78% | 0.775 | S | S | * | * | trans | -66.6 | 140.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113 | K28 | G26-K28 PolarHBondContact O-N 3.19Š| ||
| 27 | K | 53.8 | Low | 50.7 | Low | 210 Ų | 210 | 131.6 Ų | 131.6 | 91% | 0.913 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -55.3 | 99.2 | 172.9 | -67 | 170.2 | 177.9 | 174.4 | 0 | 111.5 | ||
| 28 | K | 53.3 | Low | 53 | Low | 198 Ų | 198 | 130.6 Ų | 130.6 | 86% | 0.861 | 75% | 0.752 | S | S | * | * | trans | -174.9 | 72.2 | 149.6 | -109.2 | 168.6 | -177.3 | 176.8 | 0 | 112.5 | G26 | G26-K28 PolarHBondContact O-N 3.19Š| ||
| 29 | C | 49.3 | Very low | 55.2 | Low | 133 Ų | 133 | 129.6 Ų | 129.6 | 90% | 0.899 | 74% | 0.74 | S | S | * | * | trans | -125.1 | 74.3 | 161.5 | -72.3 | 0 | 0 | 0 | 0 | 109.5 | G31 | C29-G31 PolarHBondContact O-N 3Š| ||
| 30 | R | 53.3 | Low | 57.6 | Low | 219 Ų | 219 | 119.4 Ų | 119.4 | 83% | 0.826 | 71% | 0.714 | S | S | * | * | trans | -90.6 | 76 | 173.2 | -166.5 | 176.7 | 172.4 | -162.6 | -1.7 | 108.8 | ||||
| 31 | G | 52.7 | Low | 60.2 | Low | 62 Ų | 62 | 120.8 Ų | 120.8 | 64% | 0.639 | 70% | 0.703 | S | S | * | * | trans | -95.9 | 78.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | C29 S33 | C29-G31 PolarHBondContact O-N 3Å; G31-S33 PolarHBondContact O-N 3.3Å | ||
| 32 | R | 56.1 | Low | 62.7 | Low | 216 Ų | 216 | 122.7 Ų | 122.7 | 82% | 0.815 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.5 | 2.3 | -178 | -164.4 | 172.3 | 177.2 | 170.5 | 1.4 | 114.3 | ||
| 33 | S | 57.4 | Low | 65 | Low | 97 Ų | 97 | 121.1 Ų | 121.1 | 68% | 0.678 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.5 | -24.9 | -171.9 | -162 | 0 | 0 | 0 | 0 | 115.1 | G31 | G31-S33 PolarHBondContact O-N 3.3Š|
| 34 | G | 60.2 | Low | 67.6 | Low | 35 Ų | 35 | 120.5 Ų | 120.5 | 36% | 0.361 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -78.6 | -43.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | A36 V37 F38 | G34-A36 VanDerWaalsContact C-N 3.32Å; G34-A36 PolarHBondContact O-N 2.92Å; G34-V37 PolarHBondContact O-N 3.47Å; G34-F38 WeakPolarHBondContact O-CD2 3.31Å; G34-F38 PolarHBondContact O-N 3.07Å; G34-F38 VanDerWaalsContact O-N 3.07Å |
| 35 | S | 65.1 | Low | 69.9 | Low | 94 Ų | 94 | 114.4 Ų | 114.4 | 66% | 0.657 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -62.8 | -34 | -174.9 | 177.1 | 0 | 0 | 0 | 0 | 113.6 | L39 | S35-L39 VanDerWaalsContact O-CB 3.29Å; S35-L39 WeakPolarHBondContact O-CB 3.15Å; S35-L39 PolarHBondContact O-N 2.98Å |
| 36 | A | 72.6 | Confident | 72.4 | Confident | 68 Ų | 68 | 113.1 Ų | 113.1 | 56% | 0.562 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -70.2 | -35.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | G34 G40 | G34-A36 VanDerWaalsContact C-N 3.32Å; G34-A36 PolarHBondContact O-N 2.92Å; A36-G40 PolarHBondContact O-N 3.22Å |
| 37 | V | 82.4 | Confident | 75.1 | Confident | 87 Ų | 87 | 114 Ų | 114 | 53% | 0.527 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -71.5 | -43.8 | 177.1 | 177.9 | 0 | 0 | 0 | 0 | 110.7 | G34 L39 G40 L41 | G34-V37 PolarHBondContact O-N 3.47Å; V37-L39 VanDerWaalsContact C-N 3.35Å; V37-L39 PolarHBondContact O-N 3.17Å; V37-G40 PolarHBondContact O-N 2.95Å; V37-L41 HydrophobicContact CG1-CD1 4.3Å; V37-L41 WeakPolarHBondContact O-CG 3.4Å; V37-L41 PolarHBondContact O-N 3.3Å |
| 38 | F | 83.2 | Confident | 77.1 | Confident | 155 Ų | 155 | 109.1 Ų | 109.1 | 68% | 0.68 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -62.5 | -40.9 | 174.9 | -77.8 | -71.3 | 0 | 0 | 0 | 112.3 | G34 G40 L41 F42 | G34-F38 WeakPolarHBondContact O-CD2 3.31Å; G34-F38 PolarHBondContact O-N 3.07Å; G34-F38 VanDerWaalsContact O-N 3.07Å; F38-G40 VanDerWaalsContact C-N 3.34Å; F38-L41 PolarHBondContact O-N 3.38Å; F38-F42 VanDerWaalsContact O-CB 3.31Å; F38-F42 WeakPolarHBondContact O-CB 3.45Å; F38-F42 PolarHBondContact O-N 2.96Å |
| 39 | L | 87.4 | Confident | 79.1 | Confident | 101 Ų | 101 | 105.3 Ų | 105.3 | 53% | 0.529 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -65.3 | -39 | 175 | -169.4 | 66.6 | 0 | 0 | 0 | 111.5 | S35 V37 F42 L43 | S35-L39 VanDerWaalsContact O-CB 3.29Å; S35-L39 WeakPolarHBondContact O-CB 3.15Å; S35-L39 PolarHBondContact O-N 2.98Å; V37-L39 VanDerWaalsContact C-N 3.35Å; V37-L39 PolarHBondContact O-N 3.17Å; L39-F42 PolarHBondContact O-N 3.48Å; L39-L43 HydrophobicContact CG-CD1 4.26Å; L39-L43 WeakPolarHBondContact O-CB 3.29Å; L39-L43 VanDerWaalsContact O-CG 3.27Å; L39-L43 WeakPolarHBondContact O-CG 3.34Å; L39-L43 PolarHBondContact O-N 2.91Å |
| 40 | G | 88.9 | Confident | 81.3 | Confident | 39 Ų | 39 | 101.7 Ų | 101.7 | 40% | 0.402 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -62.8 | -46.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | A36 V37 F38 F42 L43 L44 | A36-G40 PolarHBondContact O-N 3.22Å; V37-G40 PolarHBondContact O-N 2.95Å; F38-G40 VanDerWaalsContact C-N 3.34Å; G40-F42 VanDerWaalsContact C-N 3.34Å; G40-L43 PolarHBondContact O-N 3.44Å; G40-L44 WeakPolarHBondContact O-CB 3.34Å; G40-L44 PolarHBondContact O-N 3.39Å |
| 41 | L | 91.5 | Very high | 83.4 | Confident | 105 Ų | 105 | 95.3 Ų | 95.3 | 55% | 0.55 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -66.3 | -36.7 | 176.6 | -68.8 | 174.9 | 0 | 0 | 0 | 112.2 | V37 F38 L44 S45 | V37-L41 HydrophobicContact CG1-CD1 4.3Å; V37-L41 WeakPolarHBondContact O-CG 3.4Å; V37-L41 PolarHBondContact O-N 3.3Å; F38-L41 PolarHBondContact O-N 3.38Å; L41-L44 PolarHBondContact O-N 3.4Å; L41-S45 WeakPolarHBondContact O-CB 3.27Å; L41-S45 PolarHBondContact O-N 3.43Å |
| 42 | F | 92.9 | Very high | 85.4 | Confident | 131 Ų | 131 | 96 Ų | 96 | 58% | 0.575 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -64.8 | -45.3 | 175.3 | -178.2 | -99.3 | 0 | 0 | 0 | 111.7 | F38 L39 G40 S45 L46 | F38-F42 VanDerWaalsContact O-CB 3.31Å; F38-F42 WeakPolarHBondContact O-CB 3.45Å; F38-F42 PolarHBondContact O-N 2.96Å; L39-F42 PolarHBondContact O-N 3.48Å; G40-F42 VanDerWaalsContact C-N 3.34Å; F42-S45 PolarHBondContact O-N 3.43Å; F42-L46 WeakPolarHBondContact O-CB 3.45Å; F42-L46 PolarHBondContact O-N 3.38Å |
| 43 | L | 94.6 | Very high | 87.3 | Confident | 90 Ų | 90 | 90.9 Ų | 90.9 | 47% | 0.471 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65 | -41.1 | 176 | -71 | 171.3 | 0 | 0 | 0 | 111.7 | L39 G40 S45 L46 T47 | L39-L43 HydrophobicContact CG-CD1 4.26Å; L39-L43 WeakPolarHBondContact O-CB 3.29Å; L39-L43 VanDerWaalsContact O-CG 3.27Å; L39-L43 WeakPolarHBondContact O-CG 3.34Å; L39-L43 PolarHBondContact O-N 2.91Å; G40-L43 PolarHBondContact O-N 3.44Å; L43-S45 PolarHBondContact O-N 2.9Å; L43-L46 PolarHBondContact O-N 2.93Å; L43-T47 VanDerWaalsContact O-CG2 3.32Å; L43-T47 WeakPolarHBondContact O-CG2 3.25Å; L43-T47 PolarHBondContact O-N 3.12Å; L43-T47 PolarHBondContact O-OG1 3.24Å |
| 44 | L | 94.4 | Very high | 89.2 | Confident | 114 Ų | 114 | 90.8 Ų | 90.8 | 60% | 0.597 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -60.6 | -46.4 | 174.7 | -170.9 | 113.7 | 0 | 0 | 0 | 111.2 | G40 L41 L46 T47 L48 | G40-L44 WeakPolarHBondContact O-CB 3.34Å; G40-L44 PolarHBondContact O-N 3.39Å; L41-L44 PolarHBondContact O-N 3.4Å; L44-L46 VanDerWaalsContact C-N 3.34Å; L44-L46 PolarHBondContact O-N 3.44Å; L44-T47 WeakPolarHBondContact CA-OG1 3.11Å; L44-T47 PolarHBondContact O-N 3.27Å; L44-T47 PolarHBondContact O-OG1 2.87Å; L44-L48 WeakPolarHBondContact O-CB 3.38Å; L44-L48 PolarHBondContact O-N 2.95Å |
| 45 | S | 94.8 | Very high | 90.8 | Very high | 55 Ų | 55 | 92.9 Ų | 92.9 | 39% | 0.385 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -59.3 | -44.7 | 175.2 | -177.7 | 0 | 0 | 0 | 0 | 111.8 | L41 F42 L43 T47 L48 H49 | L41-S45 WeakPolarHBondContact O-CB 3.27Å; L41-S45 PolarHBondContact O-N 3.43Å; F42-S45 PolarHBondContact O-N 3.43Å; L43-S45 PolarHBondContact O-N 2.9Å; S45-T47 PolarHBondContact O-N 3.1Å; S45-L48 PolarHBondContact O-N 2.95Å; S45-H49 PolarHBondContact O-N 2.92Å; S45-H49 PolarHBondContact O-ND1 2.97Å |
| 46 | L | 95.9 | Very high | 92.3 | Very high | 100 Ų | 100 | 95.3 Ų | 95.3 | 52% | 0.524 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.6 | -41.9 | 178.2 | -170.2 | 71.2 | 0 | 0 | 0 | 111.8 | F42 L43 L44 H49 A50 | F42-L46 WeakPolarHBondContact O-CB 3.45Å; F42-L46 PolarHBondContact O-N 3.38Å; L43-L46 PolarHBondContact O-N 2.93Å; L44-L46 VanDerWaalsContact C-N 3.34Å; L44-L46 PolarHBondContact O-N 3.44Å; L46-H49 PolarHBondContact O-N 3.48Å; L46-A50 PolarHBondContact O-N 3.2Å |
| 47 | T | 96.2 | Very high | 93.3 | Very high | 85 Ų | 85 | 96.2 Ų | 96.2 | 52% | 0.521 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.2 | -39.7 | 176.3 | 56.5 | 0 | 0 | 0 | 0 | 112 | L43 L44 S45 H49 A50 V51 | L43-T47 VanDerWaalsContact O-CG2 3.32Å; L43-T47 WeakPolarHBondContact O-CG2 3.25Å; L43-T47 PolarHBondContact O-N 3.12Å; L43-T47 PolarHBondContact O-OG1 3.24Å; L44-T47 WeakPolarHBondContact CA-OG1 3.11Å; L44-T47 PolarHBondContact O-N 3.27Å; L44-T47 PolarHBondContact O-OG1 2.87Å; S45-T47 PolarHBondContact O-N 3.1Å; T47-H49 VanDerWaalsContact C-N 3.35Å; T47-H49 PolarHBondContact O-N 3.11Å; T47-A50 PolarHBondContact O-N 3.3Å; T47-V51 WeakPolarHBondContact O-CG2 3.37Å; T47-V51 PolarHBondContact O-N 3.18Å |
| 48 | L | 96.2 | Very high | 93.8 | Very high | 108 Ų | 108 | 97 Ų | 97 | 57% | 0.565 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.3 | -42.3 | 176.7 | -172 | 63.9 | 0 | 0 | 0 | 110.9 | L44 S45 A50 V51 T52 | L44-L48 WeakPolarHBondContact O-CB 3.38Å; L44-L48 PolarHBondContact O-N 2.95Å; S45-L48 PolarHBondContact O-N 2.95Å; L48-A50 PolarHBondContact O-N 2.99Å; L48-V51 PolarHBondContact O-N 3.18Å; L48-T52 WeakPolarHBondContact O-CG2 3.37Å; L48-T52 PolarHBondContact O-N 3.49Å; L48-T52 PolarHBondContact O-OG1 2.85Å |
| 49 | H | 96.1 | Very high | 94.3 | Very high | 118 Ų | 118 | 95 Ų | 95 | 55% | 0.546 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.6 | -41.9 | 174.7 | -78 | 80.4 | 0 | 0 | 0 | 112.1 | S45 L46 T47 V51 T52 L53 | S45-H49 PolarHBondContact O-N 2.92Å; S45-H49 PolarHBondContact O-ND1 2.97Å; L46-H49 PolarHBondContact O-N 3.48Å; T47-H49 VanDerWaalsContact C-N 3.35Å; T47-H49 PolarHBondContact O-N 3.11Å; H49-V51 PolarHBondContact O-N 2.88Å; H49-T52 VanDerWaalsContact CA-OG1 3.3Å; H49-T52 WeakPolarHBondContact CA-OG1 3.47Å; H49-T52 PolarHBondContact O-N 3.43Å; H49-T52 PolarHBondContact O-OG1 3.34Å; H49-L53 WeakPolarHBondContact O-CB 3.46Å; H49-L53 PolarHBondContact O-N 3.21Å |
| 50 | A | 95.9 | Very high | 94.5 | Very high | 56 Ų | 56 | 97.7 Ų | 97.7 | 46% | 0.463 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.1 | -44 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L46 T47 L48 L53 V54 | L46-A50 PolarHBondContact O-N 3.2Å; T47-A50 PolarHBondContact O-N 3.3Å; L48-A50 PolarHBondContact O-N 2.99Å; A50-L53 PolarHBondContact O-N 2.67Å; A50-V54 WeakPolarHBondContact O-CG2 3.33Å; A50-V54 PolarHBondContact O-N 2.74Å |
| 51 | V | 96.9 | Very high | 94.6 | Very high | 86 Ų | 86 | 98.8 Ų | 98.8 | 52% | 0.521 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62 | -46.2 | 175.5 | 172.9 | 0 | 0 | 0 | 0 | 110.9 | T47 L48 H49 L53 V54 C55 | T47-V51 WeakPolarHBondContact O-CG2 3.37Å; T47-V51 PolarHBondContact O-N 3.18Å; L48-V51 PolarHBondContact O-N 3.18Å; H49-V51 PolarHBondContact O-N 2.88Å; V51-L53 VanDerWaalsContact C-N 3.28Å; V51-L53 PolarHBondContact O-N 3.16Å; V51-V54 PolarHBondContact O-N 3.23Å; V51-C55 PolarHBondContact O-N 2.97Å; V51-C55 PolarHBondContact O-SG 3.3Å; V51-C55 VanDerWaalsContact O-SG 3.35Å |
| 52 | T | 95.3 | Very high | 94.6 | Very high | 77 Ų | 77 | 98 Ų | 98 | 47% | 0.472 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.8 | -36.6 | 177.6 | 56.2 | 0 | 0 | 0 | 0 | 112.6 | L48 H49 Y56 | L48-T52 WeakPolarHBondContact O-CG2 3.37Å; L48-T52 PolarHBondContact O-N 3.49Å; L48-T52 PolarHBondContact O-OG1 2.85Å; H49-T52 VanDerWaalsContact CA-OG1 3.3Å; H49-T52 WeakPolarHBondContact CA-OG1 3.47Å; H49-T52 PolarHBondContact O-N 3.43Å; H49-T52 PolarHBondContact O-OG1 3.34Å; T52-Y56 VanDerWaalsContact O-CB 3.3Å; T52-Y56 WeakPolarHBondContact O-CB 3.33Å; T52-Y56 PolarHBondContact O-N 3.13Å |
| 53 | L | 95.8 | Very high | 94.4 | Very high | 107 Ų | 107 | 95.6 Ų | 95.6 | 56% | 0.56 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -68.3 | -41.4 | 177.4 | -165.2 | 114 | 0 | 0 | 0 | 111.3 | H49 A50 V51 Y56 L57 | H49-L53 WeakPolarHBondContact O-CB 3.46Å; H49-L53 PolarHBondContact O-N 3.21Å; A50-L53 PolarHBondContact O-N 2.67Å; V51-L53 VanDerWaalsContact C-N 3.28Å; V51-L53 PolarHBondContact O-N 3.16Å; L53-Y56 PolarHBondContact O-N 2.8Å; L53-L57 HydrophobicContact CD2-CD1 3.95Å; L53-L57 HydrophobicContact CG-CD1 4.46Å; L53-L57 WeakPolarHBondContact O-CB 3.38Å; L53-L57 VanDerWaalsContact O-CG 3.26Å; L53-L57 WeakPolarHBondContact O-CG 3.33Å; L53-L57 PolarHBondContact O-N 2.82Å |
| 54 | V | 96.5 | Very high | 94.1 | Very high | 96 Ų | 96 | 98.6 Ų | 98.6 | 58% | 0.582 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.5 | -48.5 | 174.8 | 172.1 | 0 | 0 | 0 | 0 | 110.6 | A50 V51 Y56 L57 D58 | A50-V54 WeakPolarHBondContact O-CG2 3.33Å; A50-V54 PolarHBondContact O-N 2.74Å; V51-V54 PolarHBondContact O-N 3.23Å; V54-Y56 VanDerWaalsContact C-N 3.3Å; V54-Y56 PolarHBondContact O-N 3.49Å; V54-L57 PolarHBondContact O-N 3.47Å; V54-D58 WeakPolarHBondContact O-CB 3.42Å; V54-D58 PolarHBondContact O-N 2.87Å |
| 55 | C | 94.9 | Very high | 93.8 | Very high | 79 Ų | 79 | 100.2 Ų | 100.2 | 53% | 0.534 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60 | -40.2 | 176.6 | -67.2 | 0 | 0 | 0 | 0 | 112.3 | V51 D58 L59 | V51-C55 PolarHBondContact O-N 2.97Å; V51-C55 PolarHBondContact O-SG 3.3Å; V51-C55 VanDerWaalsContact O-SG 3.35Å; C55-D58 PolarHBondContact O-N 3.45Å; C55-L59 WeakPolarHBondContact O-CB 3.41Å; C55-L59 PolarHBondContact O-N 3.36Å |
| 56 | Y | 95.3 | Very high | 93.3 | Very high | 144 Ų | 144 | 103.1 Ų | 103.1 | 57% | 0.565 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64.4 | -43.9 | 176.4 | 174.1 | -99.5 | 0 | 0 | 0 | 112.3 | T52 L53 V54 D58 R60 | T52-Y56 VanDerWaalsContact O-CB 3.3Å; T52-Y56 WeakPolarHBondContact O-CB 3.33Å; T52-Y56 PolarHBondContact O-N 3.13Å; L53-Y56 PolarHBondContact O-N 2.8Å; V54-Y56 VanDerWaalsContact C-N 3.3Å; V54-Y56 PolarHBondContact O-N 3.49Å; Y56-D58 VanDerWaalsContact C-N 3.34Å; Y56-R60 VanDerWaalsContact O-CB 3.23Å; Y56-R60 WeakPolarHBondContact O-CB 3.49Å; Y56-R60 PolarHBondContact O-N 3.29Å |
| 57 | L | 93.6 | Very high | 92.5 | Very high | 87 Ų | 87 | 103.2 Ų | 103.2 | 46% | 0.455 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.6 | -37.1 | 178.1 | -70.3 | 176.6 | 0 | 0 | 0 | 111.9 | L53 V54 R60 S61 | L53-L57 HydrophobicContact CD2-CD1 3.95Å; L53-L57 HydrophobicContact CG-CD1 4.46Å; L53-L57 WeakPolarHBondContact O-CB 3.38Å; L53-L57 VanDerWaalsContact O-CG 3.26Å; L53-L57 WeakPolarHBondContact O-CG 3.33Å; L53-L57 PolarHBondContact O-N 2.82Å; V54-L57 PolarHBondContact O-N 3.47Å; L57-R60 PolarHBondContact O-N 3.38Å; L57-S61 WeakPolarHBondContact O-CB 3.42Å; L57-S61 PolarHBondContact O-N 2.83Å |
| 58 | D | 93.8 | Very high | 91.5 | Very high | 103 Ų | 103 | 102.6 Ų | 102.6 | 55% | 0.551 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.4 | -50.1 | 176.8 | -160.3 | 28.5 | 0 | 0 | 0 | 111 | V54 C55 Y56 R60 S61 E62 | V54-D58 WeakPolarHBondContact O-CB 3.42Å; V54-D58 PolarHBondContact O-N 2.87Å; C55-D58 PolarHBondContact O-N 3.45Å; Y56-D58 VanDerWaalsContact C-N 3.34Å; D58-R60 VanDerWaalsContact C-N 3.29Å; D58-R60 PolarHBondContact O-N 3.27Å; D58-S61 WeakPolarHBondContact O-CA 3.22Å; D58-S61 WeakPolarHBondContact O-CB 3.13Å; D58-S61 PolarHBondContact O-N 2.89Å; D58-S61 PolarHBondContact O-OG 2.87Å; D58-E62 PolarHBondContact O-N 3.5Å |
| 59 | L | 92.3 | Very high | 90.5 | Very high | 114 Ų | 114 | 102.5 Ų | 102.5 | 60% | 0.597 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -58.5 | -41.6 | 175.4 | -162.5 | 79.5 | 0 | 0 | 0 | 111.7 | C55 S61 E62 V63 | C55-L59 WeakPolarHBondContact O-CB 3.41Å; C55-L59 PolarHBondContact O-N 3.36Å; L59-S61 VanDerWaalsContact C-N 3.32Å; L59-S61 PolarHBondContact O-N 2.93Å; L59-E62 PolarHBondContact O-N 2.73Å; L59-V63 VanDerWaalsContact O-CG2 3.29Å; L59-V63 WeakPolarHBondContact O-CG2 3.35Å; L59-V63 PolarHBondContact O-N 2.88Å |
| 60 | R | 92.8 | Very high | 89.4 | Confident | 157 Ų | 157 | 103.1 Ų | 103.1 | 59% | 0.592 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64.6 | -37.5 | 176.1 | -172.9 | -178.7 | -175.8 | -161.8 | 3 | 111.8 | Y56 L57 D58 K64 | Y56-R60 VanDerWaalsContact O-CB 3.23Å; Y56-R60 WeakPolarHBondContact O-CB 3.49Å; Y56-R60 PolarHBondContact O-N 3.29Å; L57-R60 PolarHBondContact O-N 3.38Å; D58-R60 VanDerWaalsContact C-N 3.29Å; D58-R60 PolarHBondContact O-N 3.27Å; R60-K64 VanDerWaalsContact O-CB 3.31Å; R60-K64 WeakPolarHBondContact O-CB 3.41Å; R60-K64 PolarHBondContact O-N 3.09Å |
| 61 | S | 90.3 | Very high | 88.2 | Confident | 63 Ų | 63 | 107.8 Ų | 107.8 | 44% | 0.441 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -67.1 | -39.5 | 177.1 | 85.7 | 0 | 0 | 0 | 0 | 111.3 | L57 D58 L59 K64 R65 | L57-S61 WeakPolarHBondContact O-CB 3.42Å; L57-S61 PolarHBondContact O-N 2.83Å; D58-S61 WeakPolarHBondContact O-CA 3.22Å; D58-S61 WeakPolarHBondContact O-CB 3.13Å; D58-S61 PolarHBondContact O-N 2.89Å; D58-S61 PolarHBondContact O-OG 2.87Å; L59-S61 VanDerWaalsContact C-N 3.32Å; L59-S61 PolarHBondContact O-N 2.93Å; S61-K64 PolarHBondContact O-N 3.38Å; S61-R65 WeakPolarHBondContact O-CB 3.34Å; S61-R65 PolarHBondContact O-N 2.7Å |
| 62 | E | 91.3 | Very high | 86.8 | Confident | 89 Ų | 89 | 112.4 Ų | 112.4 | 42% | 0.416 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -69 | -45.2 | 179.3 | -167.3 | 140.8 | -128.5 | 0 | 0 | 111.6 | D58 L59 K64 R65 E66 | D58-E62 PolarHBondContact O-N 3.5Å; L59-E62 PolarHBondContact O-N 2.73Å; E62-K64 VanDerWaalsContact C-N 3.32Å; E62-K64 PolarHBondContact O-N 2.78Å; E62-R65 WeakPolarHBondContact O-CB 3.23Å; E62-R65 PolarHBondContact O-N 2.81Å; E62-R65 VanDerWaalsContact O-N 3.14Å; E62-R65 IonicContact OE1-CZ 2.71Å; E62-R65 IonicContact OE1-NH1 3.64Å; E62-R65 IonicContact OE1-NH2 3.45Å; E62-R65 PolarHBondContact OE1-NH2 2.76Å; E62-E66 PolarHBondContact O-N 3.06Å |
| 63 | V | 90.4 | Very high | 85.2 | Confident | 80 Ų | 80 | 112.2 Ų | 112.2 | 49% | 0.485 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -60.9 | -41 | 173.4 | 171.9 | 0 | 0 | 0 | 0 | 111.5 | L59 R65 E66 I67 | L59-V63 VanDerWaalsContact O-CG2 3.29Å; L59-V63 WeakPolarHBondContact O-CG2 3.35Å; L59-V63 PolarHBondContact O-N 2.88Å; V63-R65 VanDerWaalsContact C-N 3.32Å; V63-R65 PolarHBondContact O-N 2.97Å; V63-E66 PolarHBondContact O-N 2.78Å; V63-I67 HydrophobicContact CG1-CD1 3.84Å; V63-I67 HydrophobicContact CG1-CG1 4.47Å; V63-I67 VanDerWaalsContact O-CG1 3.3Å; V63-I67 WeakPolarHBondContact O-CG1 3.37Å; V63-I67 PolarHBondContact O-N 2.84Å |
| 64 | K | 88.1 | Confident | 83.4 | Confident | 152 Ų | 152 | 110.2 Ų | 110.2 | 66% | 0.661 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -65.7 | -36 | 176.8 | -170.6 | 177.4 | -178.8 | -177.2 | 0 | 111.8 | R60 S61 E62 T68 | R60-K64 VanDerWaalsContact O-CB 3.31Å; R60-K64 WeakPolarHBondContact O-CB 3.41Å; R60-K64 PolarHBondContact O-N 3.09Å; S61-K64 PolarHBondContact O-N 3.38Å; E62-K64 VanDerWaalsContact C-N 3.32Å; E62-K64 PolarHBondContact O-N 2.78Å; K64-T68 WeakPolarHBondContact O-CB 3.42Å; K64-T68 PolarHBondContact O-N 2.68Å; K64-T68 VanDerWaalsContact O-N 3.13Å; K64-T68 PolarHBondContact O-OG1 3.18Å |
| 65 | R | 86.9 | Confident | 81.5 | Confident | 149 Ų | 149 | 110.4 Ų | 110.4 | 56% | 0.562 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -64 | -44.7 | 173.9 | -169.9 | 178.9 | 69.2 | -151.3 | -3.4 | 110.6 | S61 E62 V63 T68 H69 | S61-R65 WeakPolarHBondContact O-CB 3.34Å; S61-R65 PolarHBondContact O-N 2.7Å; E62-R65 WeakPolarHBondContact O-CB 3.23Å; E62-R65 PolarHBondContact O-N 2.81Å; E62-R65 VanDerWaalsContact O-N 3.14Å; E62-R65 IonicContact OE1-CZ 2.71Å; E62-R65 IonicContact OE1-NH1 3.64Å; E62-R65 IonicContact OE1-NH2 3.45Å; E62-R65 PolarHBondContact OE1-NH2 2.76Å; V63-R65 VanDerWaalsContact C-N 3.32Å; V63-R65 PolarHBondContact O-N 2.97Å; R65-T68 PolarHBondContact O-N 2.94Å; R65-H69 PolarHBondContact O-N 3.28Å |
| 66 | E | 84.6 | Confident | 79.6 | Confident | 115 Ų | 115 | 111.6 Ų | 111.6 | 54% | 0.537 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.5 | -46.1 | 179.6 | -153.9 | 63.9 | -161.4 | 0 | 0 | 112.2 | E62 V63 T68 H69 Q70 | E62-E66 PolarHBondContact O-N 3.06Å; V63-E66 PolarHBondContact O-N 2.78Å; E66-T68 VanDerWaalsContact C-N 3.27Å; E66-T68 PolarHBondContact O-N 2.78Å; E66-H69 PolarHBondContact O-N 2.83Å; E66-Q70 WeakPolarHBondContact O-CB 3.32Å; E66-Q70 PolarHBondContact O-N 2.84Å |
| 67 | I | 79.8 | Confident | 77.4 | Confident | 103 Ų | 103 | 110.1 Ų | 110.1 | 53% | 0.528 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -61 | -37.9 | 176 | -67.2 | 166.9 | 0 | 0 | 0 | 111.2 | V63 K71 | V63-I67 HydrophobicContact CG1-CD1 3.84Å; V63-I67 HydrophobicContact CG1-CG1 4.47Å; V63-I67 VanDerWaalsContact O-CG1 3.3Å; V63-I67 WeakPolarHBondContact O-CG1 3.37Å; V63-I67 PolarHBondContact O-N 2.84Å; I67-K71 WeakPolarHBondContact O-CB 3.42Å; I67-K71 PolarHBondContact O-N 3.07Å |
| 68 | T | 75.8 | Confident | 75.2 | Confident | 71 Ų | 71 | 114.3 Ų | 114.3 | 44% | 0.436 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -71.3 | -36 | 178.8 | -51.9 | 0 | 0 | 0 | 0 | 111.5 | K64 R65 E66 R72 | K64-T68 WeakPolarHBondContact O-CB 3.42Å; K64-T68 PolarHBondContact O-N 2.68Å; K64-T68 VanDerWaalsContact O-N 3.13Å; K64-T68 PolarHBondContact O-OG1 3.18Å; R65-T68 PolarHBondContact O-N 2.94Å; E66-T68 VanDerWaalsContact C-N 3.27Å; E66-T68 PolarHBondContact O-N 2.78Å; T68-R72 PolarHBondContact O-N 3.32Å; T68-R72 VanDerWaalsContact O-N 3.11Å |
| 69 | H | 74.3 | Confident | 72.7 | Confident | 107 Ų | 107 | 113.5 Ų | 113.5 | 50% | 0.495 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -66.6 | -47.8 | 174.2 | -161.6 | -78.3 | 0 | 0 | 0 | 110.9 | R65 E66 K71 R72 D73 | R65-H69 PolarHBondContact O-N 3.28Å; E66-H69 PolarHBondContact O-N 2.83Å; H69-K71 VanDerWaalsContact C-N 3.27Å; H69-K71 PolarHBondContact O-N 3.07Å; H69-R72 CarbonylContact O-C 3.58Å; H69-R72 WeakPolarHBondContact O-CA 3.33Å; H69-R72 WeakPolarHBondContact O-CB 3.45Å; H69-R72 PolarHBondContact O-N 2.77Å; H69-D73 IonicContact CE1-OD1 2.68Å; H69-D73 PolarHBondContact CE1-OD1 2.81Å; H69-D73 IonicContact CE1-OD2 2.78Å; H69-D73 PolarHBondContact CE1-OD2 3.49Å; H69-D73 IonicContact CG-OD2 3.64Å; H69-D73 IonicContact ND1-OD1 3.18Å; H69-D73 IonicContact ND1-OD2 3.35Å; H69-D73 PolarHBondContact ND1-OD2 2.87Å; H69-D73 PolarHBondContact O-N 3.31Å |
| 70 | Q | 72.3 | Confident | 70.2 | Confident | 130 Ų | 130 | 111.2 Ų | 111.2 | 61% | 0.607 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -60.8 | -36.4 | 178 | -155.3 | 176.2 | 25 | 0 | 0 | 112 | E66 S74 | E66-Q70 WeakPolarHBondContact O-CB 3.32Å; E66-Q70 PolarHBondContact O-N 2.84Å; Q70-S74 WeakPolarHBondContact O-CB 3.48Å; Q70-S74 PolarHBondContact O-N 3.48Å; Q70-S74 PolarHBondContact O-OG 3.28Å |
| 71 | K | 72.1 | Confident | 67.8 | Low | 155 Ų | 155 | 109.5 Ų | 109.5 | 67% | 0.674 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -67.2 | -34.8 | 172.7 | -170.5 | 174.1 | -178.3 | 179.1 | 0 | 112.6 | I67 H69 V75 | I67-K71 WeakPolarHBondContact O-CB 3.42Å; I67-K71 PolarHBondContact O-N 3.07Å; H69-K71 VanDerWaalsContact C-N 3.27Å; H69-K71 PolarHBondContact O-N 3.07Å; K71-V75 VanDerWaalsContact O-CG2 3.3Å; K71-V75 WeakPolarHBondContact O-CG2 3.31Å; K71-V75 PolarHBondContact O-N 2.94Å |
| 72 | R | 66.9 | Low | 65.1 | Low | 183 Ų | 183 | 113.9 Ų | 113.9 | 69% | 0.691 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -69.3 | -44.8 | 173.5 | -108.7 | -174.9 | -179 | 122.1 | -0.8 | 111.7 | T68 H69 S74 V75 V76 | T68-R72 PolarHBondContact O-N 3.32Å; T68-R72 VanDerWaalsContact O-N 3.11Å; H69-R72 CarbonylContact O-C 3.58Å; H69-R72 WeakPolarHBondContact O-CA 3.33Å; H69-R72 WeakPolarHBondContact O-CB 3.45Å; H69-R72 PolarHBondContact O-N 2.77Å; R72-S74 VanDerWaalsContact C-N 3.32Å; R72-S74 PolarHBondContact O-N 3.12Å; R72-V75 PolarHBondContact O-N 2.93Å; R72-V75 VanDerWaalsContact O-N 3.14Å; R72-V76 WeakPolarHBondContact O-CG2 3.48Å; R72-V76 PolarHBondContact O-N 2.84Å |
| 73 | D | 62.5 | Low | 62.8 | Low | 72 Ų | 72 | 117.7 Ų | 117.7 | 39% | 0.385 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -65.4 | -37.4 | 178.6 | -62.4 | -27.7 | 0 | 0 | 0 | 111.5 | H69 V75 V76 T77 | H69-D73 IonicContact CE1-OD1 2.68Å; H69-D73 PolarHBondContact CE1-OD1 2.81Å; H69-D73 IonicContact CE1-OD2 2.78Å; H69-D73 PolarHBondContact CE1-OD2 3.49Å; H69-D73 IonicContact CG-OD2 3.64Å; H69-D73 IonicContact ND1-OD1 3.18Å; H69-D73 IonicContact ND1-OD2 3.35Å; H69-D73 PolarHBondContact ND1-OD2 2.87Å; H69-D73 PolarHBondContact O-N 3.31Å; D73-V75 VanDerWaalsContact C-N 3.28Å; D73-V75 PolarHBondContact O-N 2.91Å; D73-V76 PolarHBondContact O-N 3.42Å; D73-T77 WeakPolarHBondContact O-CB 3.44Å; D73-T77 PolarHBondContact O-N 2.74Å; D73-T77 PolarHBondContact O-OG1 3.29Å |
| 74 | S | 56.3 | Low | 60.1 | Low | 65 Ų | 65 | 121 Ų | 121 | 46% | 0.455 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -62.4 | -34.2 | 174.1 | -56.2 | 0 | 0 | 0 | 0 | 112.6 | Q70 R72 H78 | Q70-S74 WeakPolarHBondContact O-CB 3.48Å; Q70-S74 PolarHBondContact O-N 3.48Å; Q70-S74 PolarHBondContact O-OG 3.28Å; R72-S74 VanDerWaalsContact C-N 3.32Å; R72-S74 PolarHBondContact O-N 3.12Å; S74-H78 PolarHBondContact O-N 3.48Å |
| 75 | V | 57.2 | Low | 57.5 | Low | 101 Ų | 101 | 120.6 Ų | 120.6 | 61% | 0.612 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -77 | -34.7 | 176.5 | 170.2 | 0 | 0 | 0 | 0 | 111.5 | K71 R72 D73 | K71-V75 VanDerWaalsContact O-CG2 3.3Å; K71-V75 WeakPolarHBondContact O-CG2 3.31Å; K71-V75 PolarHBondContact O-N 2.94Å; R72-V75 PolarHBondContact O-N 2.93Å; R72-V75 VanDerWaalsContact O-N 3.14Å; D73-V75 VanDerWaalsContact C-N 3.28Å; D73-V75 PolarHBondContact O-N 2.91Å |
| 76 | V | 54.2 | Low | 56 | Low | 104 Ų | 104 | 118.2 Ų | 118.2 | 63% | 0.63 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -70.8 | -34.5 | 175.2 | 174.3 | 0 | 0 | 0 | 0 | 111.5 | R72 D73 H78 A79 | R72-V76 WeakPolarHBondContact O-CG2 3.48Å; R72-V76 PolarHBondContact O-N 2.84Å; D73-V76 PolarHBondContact O-N 3.42Å; V76-H78 VanDerWaalsContact C-N 3.3Å; V76-H78 PolarHBondContact O-N 2.91Å; V76-A79 PolarHBondContact O-N 3.31Å |
| 77 | T | 49.4 | Very low | 53.4 | Low | 112 Ų | 112 | 119.6 Ų | 119.6 | 69% | 0.687 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -72.2 | -23.4 | 179 | -41.6 | 0 | 0 | 0 | 0 | 112.6 | D73 | D73-T77 WeakPolarHBondContact O-CB 3.44Å; D73-T77 PolarHBondContact O-N 2.74Å; D73-T77 PolarHBondContact O-OG1 3.29Å |
| 78 | H | 48.6 | Very low | 51.1 | Low | 175 Ų | 175 | 117.9 Ų | 117.9 | 81% | 0.81 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.4 | -7.3 | 174.5 | -97.6 | -72.3 | 0 | 0 | 0 | 114.7 | S74 V76 | S74-H78 PolarHBondContact O-N 3.48Å; V76-H78 VanDerWaalsContact C-N 3.3Å; V76-H78 PolarHBondContact O-N 2.91Å |
| 79 | A | 41.4 | Very low | 49 | Very low | 87 Ų | 87 | 121.4 Ų | 121.4 | 72% | 0.719 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98 | 4.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | V76 | V76-A79 PolarHBondContact O-N 3.31Š|
| 80 | G | 39.5 | Very low | 46.8 | Very low | 65 Ų | 65 | 123.9 Ų | 123.9 | 67% | 0.67 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -99.4 | 5.8 | -172.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 81 | V | 41.4 | Very low | 45.5 | Very low | 121 Ų | 121 | 122.9 Ų | 122.9 | 73% | 0.733 | 71% | 0.713 | S | S | * | * | trans | -134.7 | 94.2 | 176.2 | -170.4 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 82 | D | 34.1 | Very low | 44.5 | Very low | 156 Ų | 156 | 121.4 Ų | 121.4 | 83% | 0.834 | 72% | 0.719 | S | S | * | * | trans | 179.3 | 104.6 | 141.3 | -87.4 | -21.1 | 0 | 0 | 0 | 108.6 | ||||
| 83 | L | 42.3 | Very low | 42.7 | Very low | 168 Ų | 168 | 116.1 Ų | 116.1 | 88% | 0.88 | 72% | 0.722 | S | S | * | * | trans | -142.1 | 119.5 | 161.2 | -91.5 | 174.2 | 0 | 0 | 0 | 109.3 | ||||
| 84 | D | 34.6 | Very low | 41.3 | Very low | 150 Ų | 150 | 121.5 Ų | 121.5 | 80% | 0.802 | 75% | 0.745 | S | S | * | * | trans | 150.7 | 123.4 | 147.9 | -78.1 | -24.7 | 0 | 0 | 0 | 106.4 | ||||
| 85 | D | 33.7 | Very low | 40.9 | Very low | 144 Ų | 144 | 123.4 Ų | 123.4 | 77% | 0.77 | 76% | 0.755 | S | S | * | * | cis | -167.4 | -172.6 | 32.3 | -138.5 | -3.9 | 0 | 0 | 0 | 109.7 | ||||
| 86 | P | 54.1 | Low | 39.6 | Very low | 99 Ų | 99 | 129.7 Ų | 129.7 | 64% | 0.643 | 77% | 0.768 | S | S | * | * | -132.6 | -176.8 | -127.1 | 40.6 | -17.6 | 0 | 0 | 0 | 117.5 | |||||
| 87 | V | 31.6 | Very low | 38.5 | Very low | 143 Ų | 143 | 130 Ų | 130 | 87% | 0.867 | 77% | 0.769 | S | S | * | * | trans | 75.8 | 123.1 | 157.8 | -171.8 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 88 | G | 30.2 | Very low | 37.4 | Very low | 67 Ų | 67 | 131.1 Ų | 131.1 | 69% | 0.691 | 77% | 0.772 | S | S | * | * | trans | 175.2 | 76.2 | 159.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 89 | V | 32.5 | Very low | 36.5 | Very low | 146 Ų | 146 | 129.4 Ų | 129.4 | 89% | 0.885 | 77% | 0.773 | S | S | * | * | trans | 58.4 | 120.7 | 139.4 | -169.9 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 90 | L | 28 | Very low | 35.8 | Very low | 158 Ų | 158 | 128.7 Ų | 128.7 | 83% | 0.827 | 78% | 0.775 | S | S | * | * | trans | -81.6 | -179.1 | 166.1 | -92.3 | 164.1 | 0 | 0 | 0 | 112.5 | ||||
| 91 | P | 44.9 | Very low | 35.3 | Very low | 110 Ų | 110 | 131 Ų | 131 | 71% | 0.714 | 78% | 0.78 | S | S | * | * | cis | -143.1 | -143.9 | -7.3 | 30.2 | -2.4 | 0 | 0 | 0 | 112.8 | ||||
| 92 | P | 50.5 | Low | 34.8 | Very low | 123 Ų | 123 | 135.3 Ų | 135.3 | 80% | 0.799 | 78% | 0.784 | S | S | * | * | -126.9 | 169.3 | -64.4 | 32.1 | -14.4 | 0 | 0 | 0 | 114.8 | |||||
| 93 | G | 28.9 | Very low | 34.5 | Very low | 73 Ų | 73 | 135.7 Ų | 135.7 | 75% | 0.753 | 78% | 0.78 | S | S | * | * | trans | -177.9 | 87.9 | 163.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 94 | H | 34.1 | Very low | 33.9 | Very low | 185 Ų | 185 | 131.9 Ų | 131.9 | 86% | 0.856 | 77% | 0.767 | S | S | * | * | trans | 25 | 161.2 | 139.1 | -83.3 | -50 | 0 | 0 | 0 | 124.9 | ||||
| 95 | P | 47.5 | Very low | 33.6 | Very low | 104 Ų | 104 | 133.9 Ų | 133.9 | 68% | 0.675 | 77% | 0.772 | S | S | * | * | -120.4 | -168 | -125.4 | 43.2 | -30 | 0 | 0 | 0 | 115.3 | |||||
| 96 | R | 31.2 | Very low | 33.7 | Very low | 234 Ų | 234 | 135.2 Ų | 135.2 | 88% | 0.883 | 77% | 0.774 | S | S | * | * | trans | 108.3 | 148.2 | 164.2 | -66.3 | -172 | 171.1 | 165.1 | -2 | 114.3 | ||||
| 97 | V | 30.5 | Very low | 32.6 | Very low | 109 Ų | 109 | 137.8 Ų | 137.8 | 66% | 0.661 | 78% | 0.782 | S | S | * | * | cis | -167.4 | 155.3 | 0.6 | 132.2 | 0 | 0 | 0 | 0 | 107 | ||||
| 98 | D | 27 | Very low | 32.4 | Very low | 137 Ų | 137 | 141.2 Ų | 141.2 | 73% | 0.733 | 78% | 0.779 | S | S | * | * | trans | 0.6 | 147.2 | 158.3 | -53.8 | -48.4 | 0 | 0 | 0 | 120.4 | ||||
| 99 | T | 28.8 | Very low | 32.4 | Very low | 138 Ų | 138 | 144.9 Ų | 144.9 | 85% | 0.847 | 78% | 0.778 | S | S | * | * | 168.1 | 154.6 | 85.3 | -39.1 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 100 | G | 27 | Very low | 32.3 | Very low | 73 Ų | 73 | 145.4 Ų | 145.4 | 75% | 0.753 | 77% | 0.771 | S | S | * | * | trans | -56.8 | -176 | 179.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 101 | S | 29.2 | Very low | 32.5 | Very low | 112 Ų | 112 | 146.6 Ų | 146.6 | 78% | 0.783 | 77% | 0.765 | S | S | * | * | cis | -170 | 164.8 | 36.3 | 174.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 102 | R | 29.7 | Very low | 31.6 | Very low | 213 Ų | 213 | 148.4 Ų | 148.4 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | trans | -29.9 | 143.3 | 165.8 | -61.9 | 165.5 | 173.3 | 178.3 | -3.2 | 117.8 | ||||
| 103 | H | 29 | Very low | 30.7 | Very low | 164 Ų | 164 | 148.6 Ų | 148.6 | 76% | 0.759 | 76% | 0.755 | S | S | * | * | 162 | 111.9 | 116.5 | -94.3 | -71.6 | 0 | 0 | 0 | 108.9 | |||||
| 104 | S | 29.5 | Very low | 30.6 | Very low | 87 Ų | 87 | 155.1 Ų | 155.1 | 61% | 0.608 | 76% | 0.758 | S | S | * | * | 53.1 | 112 | 99.6 | 70.3 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 105 | E | 28.7 | Very low | 30.4 | Very low | 192 Ų | 192 | 157.7 Ų | 157.7 | 90% | 0.897 | 76% | 0.761 | S | S | * | * | 165.3 | 153.3 | 110.2 | -87.3 | -176.8 | 173.8 | 0 | 0 | 111.9 | |||||
| 106 | E | 35.2 | Very low | 29.6 | Very low | 173 Ų | 173 | 155.1 Ų | 155.1 | 81% | 0.808 | 75% | 0.753 | S | S | * | * | trans | -71.9 | 162.1 | -176.2 | -76.6 | 164.7 | 131.9 | 0 | 0 | 114.3 | ||||
| 107 | D | 30.4 | Very low | 29.7 | Very low | 152 Ų | 152 | 150.5 Ų | 150.5 | 81% | 0.813 | 75% | 0.746 | S | S | * | * | trans | 65.1 | 120.4 | 152 | -66.1 | -21.4 | 0 | 0 | 0 | 120.8 | ||||
| 108 | R | 27.9 | Very low | 29.8 | Very low | 215 Ų | 215 | 151.3 Ų | 151.3 | 81% | 0.811 | 75% | 0.746 | S | S | * | * | 167.4 | 125.9 | 104.7 | -173.7 | 169.4 | 171.9 | 173.2 | -1.7 | 115.1 | |||||
| 109 | E | 30.7 | Very low | 30 | Very low | 144 Ų | 144 | 151.3 Ų | 151.3 | 67% | 0.673 | 75% | 0.746 | S | S | * | * | trans | 42.3 | 129.9 | 146.6 | -64.8 | 178.1 | 133.4 | 0 | 0 | 125.5 | ||||
| 110 | E | 30.9 | Very low | 30 | Very low | 157 Ų | 157 | 153.2 Ų | 153.2 | 73% | 0.734 | 74% | 0.743 | S | S | * | * | trans | 33.2 | 149.3 | 131.2 | -75.2 | -151.4 | 159.3 | 0 | 0 | 126 | ||||
| 111 | R | 31.5 | Very low | 30.3 | Very low | 184 Ų | 184 | 158.2 Ų | 158.2 | 69% | 0.694 | 75% | 0.747 | S | S | * | * | trans | 88.9 | 141.6 | 157 | -86.1 | 159.7 | -155 | -108.7 | -0.7 | 118.4 | ||||
| 112 | F | 26.3 | Very low | 30.1 | Very low | 147 Ų | 147 | 156 Ų | 156 | 65% | 0.645 | 74% | 0.742 | S | S | * | * | cis | -162.8 | 129.3 | 13.7 | -103.2 | -62.3 | 0 | 0 | 0 | 106.8 | ||||
| 113 | L | 30.6 | Very low | 30 | Very low | 128 Ų | 128 | 152.4 Ų | 152.4 | 67% | 0.67 | 74% | 0.743 | S | S | * | * | 65.8 | 143.5 | 97.5 | -66.9 | -171.7 | 0 | 0 | 0 | 121.5 | |||||
| 114 | Y | 27.8 | Very low | 30 | Very low | 209 Ų | 209 | 153.9 Ų | 153.9 | 82% | 0.82 | 75% | 0.748 | S | S | * | * | trans | 88.4 | 130.7 | 164.9 | -60.5 | -76.5 | 0 | 0 | 0 | 116.9 | ||||
| 115 | R | 29.1 | Very low | 29.9 | Very low | 239 Ų | 239 | 156.8 Ų | 156.8 | 90% | 0.902 | 76% | 0.756 | S | S | * | * | cis | -170.3 | 155.5 | 45.8 | -164 | -179.9 | -152.2 | 159.4 | 4.8 | 107.6 | ||||
| 116 | G | 30.6 | Very low | 30 | Very low | 50 Ų | 50 | 151.6 Ų | 151.6 | 52% | 0.515 | 74% | 0.742 | S | S | . | * | cis | 168.7 | 137.9 | 6.8 | 0 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 117 | D | 33.8 | Very low | 29.8 | Very low | 138 Ų | 138 | 155.3 Ų | 155.3 | 74% | 0.738 | 75% | 0.748 | S | S | * | * | 95.1 | 139.8 | 110.2 | -63.4 | -11.4 | 0 | 0 | 0 | 111 | |||||
| 118 | D | 32.1 | Very low | 29.6 | Very low | 125 Ų | 125 | 151.6 Ų | 151.6 | 67% | 0.668 | 75% | 0.745 | S | S | * | * | cis | -177.4 | 147.2 | 4.4 | -109.3 | -24.3 | 0 | 0 | 0 | 110.2 | ||||
| 119 | D | 32.2 | Very low | 29.6 | Very low | 137 Ų | 137 | 151.8 Ų | 151.8 | 73% | 0.733 | 75% | 0.746 | S | S | * | * | trans | 57.3 | 156.1 | 131.8 | -85.1 | -4.5 | 0 | 0 | 0 | 124.2 | ||||
| 120 | F | 28 | Very low | 29.6 | Very low | 178 Ų | 178 | 150.3 Ų | 150.3 | 78% | 0.781 | 75% | 0.747 | S | S | * | * | cis | -169.4 | 172.6 | 2.4 | -161.4 | -110.4 | 0 | 0 | 0 | 111.5 | ||||
| 121 | H | 32.3 | Very low | 29.7 | Very low | 179 Ų | 179 | 153 Ų | 153 | 83% | 0.829 | 75% | 0.751 | S | S | * | * | trans | -67.8 | 160 | 176.7 | -93.3 | -71.9 | 0 | 0 | 0 | 117.7 | ||||
| 122 | G | 24.9 | Very low | 29.4 | Very low | 66 Ų | 66 | 155.1 Ų | 155.1 | 68% | 0.68 | 76% | 0.759 | S | S | * | * | trans | 155.1 | 105 | 146.2 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 123 | T | 27.6 | Very low | 29.6 | Very low | 136 Ų | 136 | 153.2 Ų | 153.2 | 83% | 0.834 | 77% | 0.77 | S | S | * | * | trans | 37.1 | 136.5 | 140.8 | 34 | 0 | 0 | 0 | 0 | 126.6 | ||||
| 124 | K | 29.2 | Very low | 29.5 | Very low | 195 Ų | 195 | 156.7 Ų | 156.7 | 85% | 0.848 | 78% | 0.78 | S | S | * | * | trans | 54.9 | 122.7 | 141.9 | -82 | -176 | 175.6 | 177 | 0 | 121.1 | ||||
| 125 | D | 27.8 | Very low | 29.5 | Very low | 148 Ų | 148 | 158.6 Ų | 158.6 | 79% | 0.791 | 79% | 0.785 | S | S | * | * | 145.1 | 147.8 | 109.7 | -136 | -22.5 | 0 | 0 | 0 | 114 | |||||
| 126 | S | 31 | Very low | 29.6 | Very low | 84 Ų | 84 | 152.4 Ų | 152.4 | 59% | 0.587 | 78% | 0.779 | S | S | * | * | trans | -36.7 | 140.7 | -177.9 | 45.7 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 127 | R | 30.3 | Very low | 30.7 | Very low | 251 Ų | 251 | 155.9 Ų | 155.9 | 95% | 0.947 | 79% | 0.792 | S | S | * | * | 167.3 | 135.7 | 116.9 | -91.1 | 174.1 | -74.2 | 177.8 | -3 | 114.4 | |||||
| 128 | G | 27.2 | Very low | 30.5 | Very low | 73 Ų | 73 | 154 Ų | 154 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | trans | 98.8 | 97.3 | 138.8 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 129 | R | 28.2 | Very low | 30.4 | Very low | 219 Ų | 219 | 158.3 Ų | 158.3 | 83% | 0.826 | 80% | 0.803 | S | S | * | * | 78.2 | 104.8 | 102.2 | -149.7 | -178.1 | -177 | 160.6 | 0.1 | 112.6 | |||||
| 130 | T | 30.6 | Very low | 30.3 | Very low | 114 Ų | 114 | 158.9 Ų | 158.9 | 70% | 0.699 | 80% | 0.801 | S | S | * | * | -173.3 | 131.8 | 83.6 | 32.1 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 131 | R | 31.8 | Very low | 30.4 | Very low | 213 Ų | 213 | 157.5 Ų | 157.5 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | trans | 46.9 | 139.2 | 130.8 | -61.1 | -177.1 | 174.7 | -168.9 | -1.4 | 118.8 | ||||
| 132 | R | 25.7 | Very low | 30.5 | Very low | 229 Ų | 229 | 157.7 Ų | 157.7 | 86% | 0.864 | 81% | 0.809 | S | S | * | * | cis | 175.3 | 125.3 | 6 | 162.6 | -174.9 | -172.8 | 179.6 | 3 | 106.4 | ||||
| 133 | A | 30.9 | Very low | 30.8 | Very low | 106 Ų | 106 | 161.5 Ų | 161.5 | 88% | 0.876 | 82% | 0.819 | S | S | * | * | trans | -165 | 98.3 | 137.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 134 | K | 29.3 | Very low | 31.3 | Very low | 201 Ų | 201 | 164.2 Ų | 164.2 | 87% | 0.874 | 82% | 0.822 | S | S | * | * | trans | -89.4 | 139.6 | 173.8 | -112.5 | 176.7 | 176.3 | 178.4 | 0 | 108.5 | ||||
| 135 | R | 26.3 | Very low | 31.5 | Very low | 250 Ų | 250 | 160.9 Ų | 160.9 | 94% | 0.943 | 82% | 0.824 | S | S | * | * | -164.7 | 121.5 | 119.3 | -107.8 | 177.8 | -166.7 | -167.7 | 3.6 | 111.2 | |||||
| 136 | S | 30.8 | Very low | 31.7 | Very low | 109 Ų | 109 | 161.9 Ų | 161.9 | 76% | 0.762 | 83% | 0.829 | S | S | * | * | trans | -133.3 | -172 | 159.6 | 55.4 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 137 | P | 54.4 | Low | 31.8 | Very low | 123 Ų | 123 | 161.3 Ų | 161.3 | 80% | 0.799 | 84% | 0.836 | S | S | * | * | -119.9 | -163.8 | -107.2 | 29.9 | -6.7 | 0 | 0 | 0 | 114.1 | |||||
| 138 | A | 30.2 | Very low | 32.1 | Very low | 99 Ų | 99 | 159.1 Ų | 159.1 | 82% | 0.818 | 83% | 0.833 | S | S | * | * | trans | 84 | 144.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 139 | R | 29.6 | Very low | 32.6 | Very low | 214 Ų | 214 | 164 Ų | 164 | 81% | 0.808 | 84% | 0.837 | S | S | * | * | cis | -169 | 149.2 | 35.6 | -160 | 178.3 | 178.5 | 174.4 | 5.1 | 113 | ||||
| 140 | E | 31.1 | Very low | 33.1 | Very low | 149 Ų | 149 | 164.3 Ų | 164.3 | 70% | 0.696 | 84% | 0.838 | S | S | * | * | trans | 19.4 | 137.6 | 152.8 | -62.7 | 152.2 | -176.8 | 0 | 0 | 123.9 | ||||
| 141 | T | 29.9 | Very low | 33.5 | Very low | 150 Ų | 150 | 168.9 Ų | 168.9 | 92% | 0.92 | 84% | 0.842 | S | S | * | * | -155.6 | 135.8 | 129.6 | -5.6 | 0 | 0 | 0 | 0 | 111 | |||||
| 142 | E | 32.9 | Very low | 34.1 | Very low | 183 Ų | 183 | 168 Ų | 168 | 86% | 0.855 | 84% | 0.844 | S | S | * | * | trans | -75.1 | 147.3 | -179.4 | -61.5 | 172.1 | 151.6 | 0 | 0 | 112 | ||||
| 143 | T | 32.8 | Very low | 34.9 | Very low | 146 Ų | 146 | 164.6 Ų | 164.6 | 90% | 0.896 | 84% | 0.838 | S | S | * | * | trans | -164.1 | 118.6 | 143.8 | 4.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 144 | E | 37.4 | Very low | 35.6 | Very low | 192 Ų | 192 | 170.6 Ų | 170.6 | 90% | 0.897 | 84% | 0.838 | S | S | * | * | trans | -69.5 | 143.5 | 168.4 | -68.9 | 179.5 | 132.2 | 0 | 0 | 110.8 | ||||
| 145 | S | 34.1 | Very low | 36.3 | Very low | 126 Ų | 126 | 169.8 Ų | 169.8 | 88% | 0.881 | 84% | 0.835 | S | S | * | * | -175.6 | 149.4 | 123.3 | 44.7 | 0 | 0 | 0 | 0 | 113 | |||||
| 146 | N | 32.3 | Very low | 37 | Very low | 169 Ų | 169 | 167.5 Ų | 167.5 | 90% | 0.904 | 83% | 0.832 | S | S | * | * | trans | -67.9 | 159.6 | -167.4 | -163.8 | 10.9 | 0 | 0 | 0 | 115.1 | ||||
| 147 | G | 31.3 | Very low | 37.5 | Very low | 71 Ų | 71 | 166.8 Ų | 166.8 | 73% | 0.732 | 83% | 0.832 | S | S | * | * | trans | 153.2 | 102.4 | 158.6 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 148 | K | 37.2 | Very low | 37.1 | Very low | 206 Ų | 206 | 170.7 Ų | 170.7 | 90% | 0.896 | 84% | 0.837 | S | S | * | * | trans | -62.5 | 155.2 | 166.7 | -83.4 | 171.6 | 170.2 | 172 | 0 | 113.2 | ||||
| 149 | E | 38.4 | Very low | 37.8 | Very low | 176 Ų | 176 | 175.7 Ų | 175.7 | 82% | 0.822 | 84% | 0.84 | S | S | * | * | trans | 101.5 | 126.1 | 139.2 | -145.2 | 175.9 | -132.4 | 0 | 0 | 119 | ||||
| 150 | R | 37.3 | Very low | 38.5 | Very low | 225 Ų | 225 | 176.7 Ų | 176.7 | 85% | 0.849 | 84% | 0.843 | S | S | * | * | trans | 128.4 | 143.2 | 154.6 | -74.1 | 168.9 | 176.1 | -150.6 | -0.5 | 110.6 | ||||
| 151 | R | 39.3 | Very low | 39.7 | Very low | 209 Ų | 209 | 175.6 Ų | 175.6 | 79% | 0.789 | 85% | 0.85 | S | S | * | * | cis | -173.7 | 125.6 | -10.2 | 166.1 | 179.3 | 173.6 | 174.8 | -0.3 | 103.8 | E153 | R151-E153 PolarHBondContact O-N 3.5Š| ||
| 152 | K | 44.6 | Very low | 40.9 | Very low | 195 Ų | 195 | 171.5 Ų | 171.5 | 85% | 0.848 | 84% | 0.837 | S | S | * | * | trans | -9 | 110.6 | 151.5 | -163.2 | 178.5 | -167.3 | 175.7 | 0 | 114.4 | ||||
| 153 | E | 42.6 | Very low | 42.2 | Very low | 158 Ų | 158 | 168.5 Ų | 168.5 | 74% | 0.738 | 83% | 0.833 | S | S | * | * | trans | -145.1 | 113.3 | 153.3 | -111.8 | -179 | -149.8 | 0 | 0 | 111.8 | R151 | R151-E153 PolarHBondContact O-N 3.5Š| ||
| 154 | R | 46.8 | Very low | 43.8 | Very low | 232 Ų | 232 | 167.6 Ų | 167.6 | 88% | 0.875 | 83% | 0.83 | S | S | * | * | trans | -68.4 | 124.7 | 166.6 | -67.3 | 163.5 | 92 | -162.9 | 13.2 | 107.7 | ||||
| 155 | K | 42.2 | Very low | 44.8 | Very low | 184 Ų | 184 | 162 Ų | 162 | 80% | 0.8 | 82% | 0.823 | S | S | * | * | trans | -128.1 | 110.4 | 152.5 | -81.2 | -175.9 | 178.8 | 169 | 0 | 110.4 | A157 | K155-A157 PolarHBondContact O-N 2.92Å; K155-A157 VanDerWaalsContact O-N 3.17Å | ||
| 156 | K | 41.3 | Very low | 46 | Very low | 202 Ų | 202 | 163.9 Ų | 163.9 | 88% | 0.878 | 82% | 0.822 | S | S | * | * | trans | -55.2 | 106.7 | 169 | -86.3 | 174.6 | 167.5 | 177 | 0 | 109.3 | K158 | K156-K158 PolarHBondContact O-N 3.37Š| ||
| 157 | A | 41.7 | Very low | 47.7 | Very low | 93 Ų | 93 | 161.7 Ų | 161.7 | 77% | 0.769 | 82% | 0.817 | S | S | * | * | trans | -77.7 | 110.5 | 157 | 0 | 0 | 0 | 0 | 0 | 108.1 | K155 K159 | K155-A157 PolarHBondContact O-N 2.92Å; K155-A157 VanDerWaalsContact O-N 3.17Å; A157-K159 PolarHBondContact O-N 3.3Å; A157-K159 VanDerWaalsContact O-N 3.16Å | ||
| 158 | K | 45.7 | Very low | 49.1 | Very low | 206 Ų | 206 | 161.2 Ų | 161.2 | 90% | 0.896 | 81% | 0.813 | S | S | * | * | trans | -62 | 111.6 | 167.9 | -78.7 | 179.2 | 175 | 178.7 | 0 | 107.8 | K156 | K156-K158 PolarHBondContact O-N 3.37Š| ||
| 159 | K | 45.8 | Very low | 50.4 | Low | 204 Ų | 204 | 157.3 Ų | 157.3 | 89% | 0.887 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 125.4 | 171.3 | -68.7 | -174.9 | 177.6 | -175.9 | 0 | 108.5 | A157 | A157-K159 PolarHBondContact O-N 3.3Å; A157-K159 VanDerWaalsContact O-N 3.16Å |
| 160 | R | 44.9 | Very low | 52.1 | Low | 234 Ų | 234 | 154.8 Ų | 154.8 | 88% | 0.883 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 149.4 | 174.1 | -64.2 | -178.2 | 178.7 | -157.9 | -0.7 | 109.7 | ||
| 161 | P | 56.4 | Low | 53.5 | Low | 127 Ų | 127 | 147.1 Ų | 147.1 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 146.2 | 171.8 | -24.2 | 33.9 | 0 | 0 | 0 | 111.5 | ||
| 162 | G | 55 | Low | 54.8 | Low | 63 Ų | 63 | 143.4 Ų | 143.4 | 65% | 0.649 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 153.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 163 | P | 58.4 | Low | 56.2 | Low | 121 Ų | 121 | 143.4 Ų | 143.4 | 79% | 0.786 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 146.4 | 177.3 | 26 | -33.1 | 0 | 0 | 0 | 110.3 | ||
| 164 | P | 66.4 | Low | 57.3 | Low | 127 Ų | 127 | 138.3 Ų | 138.3 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -50.6 | 148.7 | 171.4 | -25.8 | 34.4 | 0 | 0 | 0 | 111.8 | ||
| 165 | G | 58.9 | Low | 58.4 | Low | 73 Ų | 73 | 133 Ų | 133 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 150.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 166 | L | 59.5 | Low | 59.9 | Low | 166 Ų | 166 | 130.3 Ų | 130.3 | 87% | 0.869 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 143 | 176.1 | -66.6 | 171.2 | 0 | 0 | 0 | 110 | ||
| 167 | P | 69.1 | Low | 61.3 | Low | 123 Ų | 123 | 124 Ų | 124 | 80% | 0.799 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 143.1 | 172 | -24.8 | 34.1 | 0 | 0 | 0 | 111.3 | ||
| 168 | G | 59 | Low | 62.6 | Low | 62 Ų | 62 | 127.3 Ų | 127.3 | 64% | 0.639 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 158.1 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 169 | P | 65.4 | Low | 63.9 | Low | 123 Ų | 123 | 123 Ų | 123 | 80% | 0.799 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 153 | 176 | 27 | -34.4 | 0 | 0 | 0 | 111.2 | ||
| 170 | P | 73.4 | Confident | 65.2 | Low | 124 Ų | 124 | 116.8 Ų | 116.8 | 81% | 0.805 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 141.6 | 173.1 | -24.4 | 33.9 | 0 | 0 | 0 | 111.6 | ||
| 171 | G | 66.4 | Low | 66.3 | Low | 63 Ų | 63 | 113.3 Ų | 113.3 | 65% | 0.649 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 157.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 172 | P | 68.2 | Low | 66.9 | Low | 131 Ų | 131 | 112.8 Ų | 112.8 | 85% | 0.851 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 151 | 177 | 26.9 | -34.3 | 0 | 0 | 0 | 111.4 | ||
| 173 | Q | 72.9 | Confident | 67.4 | Low | 196 Ų | 196 | 113.2 Ų | 113.2 | 92% | 0.916 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -60 | 136.9 | 174.5 | -174.1 | 175.1 | 3.7 | 0 | 0 | 110.3 | ||
| 174 | G | 66.7 | Low | 67.5 | Low | 51 Ų | 51 | 115.4 Ų | 115.4 | 53% | 0.526 | 77% | 0.774 | S | S | . | * | P | Polyproline II helix | trans | -62.9 | 159.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 175 | P | 68.4 | Low | 66.9 | Low | 121 Ų | 121 | 115.7 Ų | 115.7 | 79% | 0.786 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 156 | 179.6 | 26.9 | -34.1 | 0 | 0 | 0 | 112.2 | ||
| 176 | P | 74.3 | Confident | 66.7 | Low | 126 Ų | 126 | 115.1 Ų | 115.1 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 145.7 | 174.3 | -24.2 | 33.8 | 0 | 0 | 0 | 112.6 | ||
| 177 | G | 70.1 | Confident | 66.7 | Low | 69 Ų | 69 | 112.5 Ų | 112.5 | 71% | 0.711 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 152.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 178 | I | 70.5 | Confident | 66.1 | Low | 163 Ų | 163 | 114.4 Ų | 114.4 | 84% | 0.836 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 138.4 | 179.1 | -54.6 | 170.5 | 0 | 0 | 0 | 109.1 | ||
| 179 | P | 73.3 | Confident | 66 | Low | 116 Ų | 116 | 117.4 Ų | 117.4 | 75% | 0.753 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 142.6 | 174.1 | -26.5 | 34.8 | 0 | 0 | 0 | 112.4 | ||
| 180 | G | 71.9 | Confident | 65.8 | Low | 73 Ų | 73 | 118.5 Ų | 118.5 | 75% | 0.753 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 148.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 181 | I | 68.1 | Low | 65.3 | Low | 162 Ų | 162 | 115 Ų | 115 | 83% | 0.831 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 132.7 | 178.3 | -52.3 | 170 | 0 | 0 | 0 | 108.4 | G183 | I181-G183 PolarHBondContact O-N 2.96Š|
| 182 | P | 69.3 | Low | 65.4 | Low | 116 Ų | 116 | 118.1 Ų | 118.1 | 75% | 0.753 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 137.1 | 174.7 | -26.1 | 34.5 | 0 | 0 | 0 | 111.7 | ||
| 183 | G | 64.3 | Low | 65.5 | Low | 72 Ų | 72 | 118.8 Ų | 118.8 | 74% | 0.742 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 147.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | I181 | I181-G183 PolarHBondContact O-N 2.96Š|
| 184 | I | 60.6 | Low | 65.3 | Low | 166 Ų | 166 | 111.9 Ų | 111.9 | 85% | 0.851 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 132.4 | 176.3 | -44.3 | 169.9 | 0 | 0 | 0 | 108.2 | G186 | I184-G186 PolarHBondContact O-N 2.96Å; I184-G186 VanDerWaalsContact O-N 3.09Å |
| 185 | P | 55.5 | Low | 65.7 | Low | 133 Ų | 133 | 115.2 Ų | 115.2 | 86% | 0.864 | 77% | 0.77 | S | S | * | * | trans | -62.4 | 114.2 | -177.5 | -21.3 | 31.9 | 0 | 0 | 0 | 111.8 | ||||
| 186 | G | 54.5 | Low | 65.9 | Low | 62 Ų | 62 | 115.5 Ų | 115.5 | 64% | 0.639 | 77% | 0.772 | S | S | * | * | trans | -144 | 124 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | I184 N188 | I184-G186 PolarHBondContact O-N 2.96Å; I184-G186 VanDerWaalsContact O-N 3.09Å; G186-N188 PolarHBondContact O-N 2.81Å | ||
| 187 | S | 58.9 | Low | 65.7 | Low | 111 Ų | 111 | 112.4 Ų | 112.4 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 2 | 99.4 | 171.5 | -165.1 | 0 | 0 | 0 | 0 | 117.8 | V189 | S187-V189 PolarHBondContact O-N 2.97Š|
| 188 | N | 56.3 | Low | 65.9 | Low | 162 Ų | 162 | 114.9 Ų | 114.9 | 87% | 0.866 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 56.1 | 29.5 | 147.2 | -57.7 | -13.3 | 0 | 0 | 0 | 120.9 | G186 | G186-N188 PolarHBondContact O-N 2.81Š|
| 189 | V | 57.7 | Low | 66 | Low | 125 Ų | 125 | 113.2 Ų | 113.2 | 76% | 0.758 | 77% | 0.767 | S | S | * | * | trans | -139.4 | 113.7 | 159.6 | -175.6 | 0 | 0 | 0 | 0 | 109.2 | S187 G191 | S187-V189 PolarHBondContact O-N 2.97Å; V189-G191 PolarHBondContact O-N 3.28Å; V189-G191 VanDerWaalsContact O-N 3.13Å | ||
| 190 | V | 60.7 | Low | 65.7 | Low | 147 Ų | 147 | 110.6 Ų | 110.6 | 89% | 0.891 | 76% | 0.761 | S | S | * | * | trans | -64.7 | 112.7 | 167.1 | 174.1 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 191 | G | 63.2 | Low | 65.7 | Low | 51 Ų | 51 | 113.2 Ų | 113.2 | 53% | 0.526 | 76% | 0.764 | S | S | . | * | P | Polyproline II helix | trans | -63.8 | 152 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | V189 | V189-G191 PolarHBondContact O-N 3.28Å; V189-G191 VanDerWaalsContact O-N 3.13Å |
| 192 | P | 67.4 | Low | 65.7 | Low | 127 Ų | 127 | 114.4 Ų | 114.4 | 83% | 0.825 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 146.5 | 176.5 | 25.3 | -33.3 | 0 | 0 | 0 | 110.9 | G194 | P192-G194 PolarHBondContact O-N 2.82Š|
| 193 | V | 69.8 | Low | 65.5 | Low | 145 Ų | 145 | 111.3 Ų | 111.3 | 88% | 0.879 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -52.2 | 129.3 | 174.4 | 175.7 | 0 | 0 | 0 | 0 | 109 | ||
| 194 | G | 70.6 | Confident | 65.9 | Low | 52 Ų | 52 | 113.6 Ų | 113.6 | 54% | 0.536 | 76% | 0.757 | S | S | . | * | P | Polyproline II helix | trans | -59.9 | 150.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | P192 | P192-G194 PolarHBondContact O-N 2.82Š|
| 195 | P | 73.8 | Confident | 66.5 | Low | 121 Ų | 121 | 111.8 Ų | 111.8 | 79% | 0.786 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -60 | 148.6 | 179.2 | 25.8 | -33.7 | 0 | 0 | 0 | 111.1 | G197 | P195-G197 PolarHBondContact O-N 2.79Š|
| 196 | P | 73.5 | Confident | 66.8 | Low | 126 Ų | 126 | 108.4 Ų | 108.4 | 82% | 0.818 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 140.4 | 170.8 | -24.8 | 33.8 | 0 | 0 | 0 | 111.2 | ||
| 197 | G | 70 | Confident | 67.7 | Low | 61 Ų | 61 | 111.6 Ų | 111.6 | 63% | 0.629 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 153.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | P195 | P195-G197 PolarHBondContact O-N 2.79Š|
| 198 | P | 72.9 | Confident | 68.2 | Low | 122 Ų | 122 | 115.1 Ų | 115.1 | 79% | 0.792 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 149.8 | 177.2 | 26.4 | -34.1 | 0 | 0 | 0 | 111.1 | G200 | P198-G200 PolarHBondContact O-N 3.24Š|
| 199 | P | 72.6 | Confident | 68.4 | Low | 128 Ų | 128 | 109.9 Ų | 109.9 | 83% | 0.831 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 139 | 170.7 | -24.7 | 33.8 | 0 | 0 | 0 | 111.2 | ||
| 200 | G | 66.9 | Low | 68.8 | Low | 61 Ų | 61 | 109.9 Ų | 109.9 | 63% | 0.629 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 152.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | P198 | P198-G200 PolarHBondContact O-N 3.24Š|
| 201 | P | 73.9 | Confident | 68.7 | Low | 127 Ų | 127 | 107.1 Ų | 107.1 | 83% | 0.825 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 146.6 | 177.9 | 26.3 | -34.1 | 0 | 0 | 0 | 110.8 | G203 | P201-G203 PolarHBondContact O-N 2.78Š|
| 202 | Q | 67.5 | Low | 68 | Low | 188 Ų | 188 | 108.3 Ų | 108.3 | 88% | 0.879 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 130.8 | 171.6 | -173.7 | 176 | 5.5 | 0 | 0 | 109.1 | ||
| 203 | G | 64.6 | Low | 67 | Low | 50 Ų | 50 | 108.7 Ų | 108.7 | 52% | 0.515 | 75% | 0.75 | S | S | . | * | P | Polyproline II helix | trans | -56.7 | 149.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | P201 | P201-G203 PolarHBondContact O-N 2.78Š|
| 204 | P | 73.3 | Confident | 65.9 | Low | 121 Ų | 121 | 107.2 Ų | 107.2 | 79% | 0.786 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 149.1 | 178.3 | 25.4 | -33.9 | 0 | 0 | 0 | 110.4 | G206 | P204-G206 PolarHBondContact O-N 2.93Š|
| 205 | P | 72.1 | Confident | 64.9 | Low | 128 Ų | 128 | 110.1 Ų | 110.1 | 83% | 0.831 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -49.3 | 134.3 | 169 | -25.4 | 33.9 | 0 | 0 | 0 | 109.9 | ||
| 206 | G | 63 | Low | 63.5 | Low | 61 Ų | 61 | 114.1 Ų | 114.1 | 63% | 0.629 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 147.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | P204 Q208 | P204-G206 PolarHBondContact O-N 2.93Å; G206-Q208 PolarHBondContact O-N 3.07Å |
| 207 | P | 73 | Confident | 62.5 | Low | 129 Ų | 129 | 111.3 Ų | 111.3 | 84% | 0.838 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 139.2 | 178.8 | 23.3 | -33.1 | 0 | 0 | 0 | 109.6 | G209 | P207-G209 PolarHBondContact O-N 2.84Å; P207-G209 VanDerWaalsContact O-N 3.08Å |
| 208 | Q | 69.6 | Low | 61.9 | Low | 185 Ų | 185 | 117.7 Ų | 117.7 | 86% | 0.864 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 123.2 | 172.3 | -173.8 | 175.2 | 9.8 | 0 | 0 | 107.6 | G206 | G206-Q208 PolarHBondContact O-N 3.07Š|
| 209 | G | 60.8 | Low | 61.2 | Low | 52 Ų | 52 | 121 Ų | 121 | 54% | 0.536 | 75% | 0.75 | S | S | . | * | P | Polyproline II helix | trans | -51.3 | 144.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | P207 A211 | P207-G209 PolarHBondContact O-N 2.84Å; P207-G209 VanDerWaalsContact O-N 3.08Å; G209-A211 PolarHBondContact O-N 2.85Å |
| 210 | P | 65 | Low | 61.1 | Low | 126 Ų | 126 | 118.9 Ų | 118.9 | 82% | 0.818 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -49 | 135.9 | -176.5 | 20.1 | -31.9 | 0 | 0 | 0 | 109.4 | G212 | P210-G212 PolarHBondContact O-N 2.88Š|
| 211 | A | 58.8 | Low | 61.5 | Low | 88 Ų | 88 | 123.8 Ų | 123.8 | 73% | 0.727 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -48.3 | 119.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 107 | G209 V213 | G209-A211 PolarHBondContact O-N 2.85Å; A211-V213 VanDerWaalsContact C-N 3.33Å; A211-V213 PolarHBondContact O-N 3.15Å |
| 212 | G | 48.2 | Very low | 62 | Low | 76 Ų | 76 | 121.6 Ų | 121.6 | 78% | 0.784 | 72% | 0.721 | S | S | * | * | trans | -54 | 105.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 106.7 | P210 S214 | P210-G212 PolarHBondContact O-N 2.88Å; G212-S214 PolarHBondContact O-N 2.81Å | ||
| 213 | V | 47.8 | Very low | 63.2 | Low | 136 Ų | 136 | 112.8 Ų | 112.8 | 82% | 0.824 | 68% | 0.68 | S | S | * | * | trans | -53.2 | 114.3 | 174.8 | -106 | 0 | 0 | 0 | 0 | 103.9 | A211 D215 | A211-V213 VanDerWaalsContact C-N 3.33Å; A211-V213 PolarHBondContact O-N 3.15Å; V213-D215 PolarHBondContact O-N 3.09Å | ||
| 214 | S | 46.3 | Very low | 64.7 | Low | 114 Ų | 114 | 113 Ų | 113 | 80% | 0.797 | 67% | 0.671 | S | S | * | * | trans | -71.5 | 61.6 | 168.8 | 61.1 | 0 | 0 | 0 | 0 | 106.7 | G212 K216 | G212-S214 PolarHBondContact O-N 2.81Å; S214-K216 PolarHBondContact O-N 3.23Å | ||
| 215 | D | 48.4 | Very low | 65.9 | Low | 112 Ų | 112 | 107.3 Ų | 107.3 | 60% | 0.599 | 63% | 0.634 | S | S | * | * | trans | -64.6 | 125.5 | 166.5 | -168.5 | 17.2 | 0 | 0 | 0 | 104.8 | V213 S217 | V213-D215 PolarHBondContact O-N 3.09Å; D215-S217 WeakPolarHBondContact CB-OG 3.4Å; D215-S217 VanDerWaalsContact CG-OG 3.27Å; D215-S217 PolarHBondContact O-N 2.92Å; D215-S217 VanDerWaalsContact OD2-CB 3.29Å; D215-S217 WeakPolarHBondContact OD2-CB 3.28Å; D215-S217 PolarHBondContact OD2-OG 3.28Å | ||
| 216 | K | 45.8 | Very low | 67.1 | Low | 206 Ų | 206 | 103.1 Ų | 103.1 | 90% | 0.896 | 60% | 0.603 | S | S | * | * | trans | -74.6 | 24.7 | 172.7 | -66.1 | 177.3 | -177.9 | 170 | 0 | 109.7 | S214 K218 | S214-K216 PolarHBondContact O-N 3.23Å; K216-K218 PolarHBondContact O-N 2.87Å | ||
| 217 | S | 52.3 | Low | 68.7 | Low | 67 Ų | 67 | 100.2 Ų | 100.2 | 47% | 0.469 | 57% | 0.573 | S | S | . | * | S | Bend | trans | -59.3 | 124.3 | 161.6 | 42.7 | 0 | 0 | 0 | 0 | 106.6 | D215 K219 | D215-S217 WeakPolarHBondContact CB-OG 3.4Å; D215-S217 VanDerWaalsContact CG-OG 3.27Å; D215-S217 PolarHBondContact O-N 2.92Å; D215-S217 VanDerWaalsContact OD2-CB 3.29Å; D215-S217 WeakPolarHBondContact OD2-CB 3.28Å; D215-S217 PolarHBondContact OD2-OG 3.28Å; S217-K219 PolarHBondContact O-N 3.43Å |
| 218 | K | 57.7 | Low | 69.9 | Low | 195 Ų | 195 | 95.6 Ų | 95.6 | 85% | 0.848 | 54% | 0.541 | S | S | * | . | trans | -43.2 | 121.6 | 168.9 | -64.5 | 171.1 | 179.9 | 174.5 | 0 | 106.2 | K216 F220 | K216-K218 PolarHBondContact O-N 2.87Å; K218-F220 PolarHBondContact O-N 2.84Å | ||
| 219 | K | 57.9 | Low | 71.1 | Confident | 192 Ų | 192 | 86.9 Ų | 86.9 | 84% | 0.835 | 50% | 0.5 | S | S | * | . | trans | -39 | 109.4 | 176.8 | -80.3 | -174.5 | 176 | -171.3 | 0 | 107.8 | S217 Q221 | S217-K219 PolarHBondContact O-N 3.43Å; K219-Q221 PolarHBondContact O-N 2.92Å | ||
| 220 | F | 70 | Confident | 72.6 | Confident | 82 Ų | 82 | 89.2 Ų | 89.2 | 36% | 0.36 | 50% | 0.497 | S | S | . | . | trans | -61.1 | 113.1 | -175.9 | 177.6 | -85.9 | 0 | 0 | 0 | 106.7 | K218 P222 R358 L359 G360 | K218-F220 PolarHBondContact O-N 2.84Å; F220-P222 HydrophobicContact CE1-CB 4.33Å; F220-R358 HydrophobicContact CZ-CG 4.23Å; F220-R358 WeakPolarHBondContact CZ-O 3.39Å; F220-L359 WeakPolarHBondContact CE1-O 3.36Å; F220-L359 WeakPolarHBondContact CZ-O 3.3Å; F220-G360 VanDerWaalsContact CE2-CA 3.49Å | ||
| 221 | Q | 75.9 | Confident | 73.6 | Confident | 164 Ų | 164 | 90.1 Ų | 90.1 | 77% | 0.766 | 49% | 0.49 | S | S | * | . | P | Polyproline II helix | trans | -96.2 | 123.4 | 171.5 | -69.9 | -168.2 | 51.2 | 0 | 0 | 106.9 | K219 A223 | K219-Q221 PolarHBondContact O-N 2.92Å; Q221-A223 PolarHBondContact O-N 2.94Å |
| 222 | P | 83.4 | Confident | 75 | Confident | 82 Ų | 82 | 88.5 Ų | 88.5 | 53% | 0.532 | 47% | 0.472 | S | S | . | . | P | Polyproline II helix | trans | -59.5 | 127.5 | 175.7 | 23.9 | -31.3 | 0 | 0 | 0 | 108.8 | F220 V357 R358 | F220-P222 HydrophobicContact CE1-CB 4.33Å; P222-V357 HydrophobicContact CB-CG1 4.19Å; P222-R358 WeakPolarHBondContact CA-O 3.42Å |
| 223 | A | 94 | Very high | 77 | Confident | 3 Ų | 3 | 88.5 Ų | 88.5 | 3% | 0.025 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 133.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | Q221 N254 V257 F258 V357 R358 | Q221-A223 PolarHBondContact O-N 2.94Å; A223-N254 HydrophobicContact CB-CB 3.9Å; A223-V257 HydrophobicContact CB-CB 3.64Å; A223-V257 HydrophobicContact CB-CG1 3.96Å; A223-V257 HydrophobicContact CB-CG2 3.33Å; A223-F258 HydrophobicContact CB-CE2 4.03Å; A223-F258 WeakPolarHBondContact O-CE2 3.39Å; A223-V357 CarbonylContact O-C 3.56Å; A223-V357 WeakPolarHBondContact O-CA 3.47Å; A223-R358 HydrophobicContact CB-CB 4.24Å; A223-R358 PolarHBondContact O-N 3.46Å |
| 224 | V | 96.4 | Very high | 79.2 | Confident | 55 Ų | 55 | 82.2 Ų | 82.2 | 33% | 0.333 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 145.8 | -175.8 | -176.2 | 0 | 0 | 0 | 0 | 110.1 | N254 S356 V357 | V224-N254 PolarHBondContact O-N 3.13Å; V224-S356 WeakPolarHBondContact CA-O 3.37Å; V224-V357 HydrophobicContact CG1-CG2 4.23Å; V224-V357 HydrophobicContact CG2-CG1 4.1Å; V224-V357 HydrophobicContact CG2-CG2 4.14Å |
| 225 | V | 97.5 | Very high | 81.4 | Confident | 0 Ų | 0 | 81.4 Ų | 81.4 | 0% | 0 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 135.3 | 163.1 | 60.5 | 0 | 0 | 0 | 0 | 109.7 | L227 S252 I253 F258 L267 G355 S356 | V225-L227 HydrophobicContact CG2-CD1 4.42Å; V225-L227 HydrophobicContact CG2-CD2 3.85Å; V225-L227 HydrophobicContact CG2-CG 3.92Å; V225-S252 CarbonylContact C-O 3.58Å; V225-S252 VanDerWaalsContact CA-O 3.28Å; V225-S252 WeakPolarHBondContact CA-O 3.3Å; V225-I253 HydrophobicContact CB-CG1 4.24Å; V225-I253 HydrophobicContact CG2-CB 3.99Å; V225-I253 HydrophobicContact CG2-CD1 4.01Å; V225-I253 HydrophobicContact CG2-CG1 3.74Å; V225-F258 HydrophobicContact CB-CB 4.25Å; V225-F258 HydrophobicContact CB-CD1 4.4Å; V225-F258 HydrophobicContact CB-CD2 3.8Å; V225-F258 HydrophobicContact CB-CE2 4.2Å; V225-F258 HydrophobicContact CB-CG 3.9Å; V225-F258 HydrophobicContact CG1-CB 4.33Å; V225-F258 HydrophobicContact CG1-CD1 3.65Å; V225-F258 HydrophobicContact CG1-CD2 3.81Å; V225-F258 HydrophobicContact CG1-CE1 3.76Å; V225-F258 HydrophobicContact CG1-CE2 3.93Å; V225-F258 HydrophobicContact CG1-CG 3.66Å; V225-F258 HydrophobicContact CG1-CZ 3.89Å; V225-L267 HydrophobicContact CG1-CD1 4.21Å; V225-L267 HydrophobicContact CG1-CD2 3.66Å; V225-L267 HydrophobicContact CG2-CD1 4.15Å; V225-G355 CarbonylContact O-C 3.56Å; V225-G355 WeakPolarHBondContact O-CA 3.49Å; V225-S356 PolarHBondContact N-O 3.31Å; V225-S356 PolarHBondContact O-N 2.95Å |
| 226 | H | 97.5 | Very high | 83.5 | Confident | 41 Ų | 41 | 76.2 Ų | 76.2 | 19% | 0.19 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 117.8 | 172.1 | -176.9 | 80.2 | 0 | 0 | 0 | 109.1 | Q228 V251 S252 Y278 F353 | H226-Q228 WeakPolarHBondContact NE2-CG 3.41Å; H226-Q228 PolarHBondContact NE2-NE2 2.98Å; H226-V251 PolarHBondContact O-N 3.27Å; H226-S252 PolarHBondContact N-O 3.04Å; H226-S252 PolarHBondContact O-N 3.23Å; H226-Y278 AromaticContact ND1-CE2 3.79Å; H226-Y278 AromaticContact ND1-CZ 3.82Å; H226-Y278 PolarHBondContact ND1-OH 3.07Å; H226-F353 AromaticContact CE1-CG 3.91Å |
| 227 | L | 97.1 | Very high | 85.7 | Confident | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 133.1 | -175.7 | -52.2 | 158.9 | 0 | 0 | 0 | 108 | V225 W248 K249 M250 M260 L267 F353 L354 | V225-L227 HydrophobicContact CG2-CD1 4.42Å; V225-L227 HydrophobicContact CG2-CD2 3.85Å; V225-L227 HydrophobicContact CG2-CG 3.92Å; L227-W248 HydrophobicContact CB-CB 4.23Å; L227-W248 HydrophobicContact CB-CD2 4.21Å; L227-W248 HydrophobicContact CB-CE3 3.93Å; L227-W248 HydrophobicContact CB-CG 4.36Å; L227-K249 WeakPolarHBondContact CA-O 3.29Å; L227-M250 HydrophobicContact CD2-CG 3.87Å; L227-M260 HydrophobicContact CD1-CE 3.11Å; L227-M260 HydrophobicContact CD2-CB 4.49Å; L227-M260 HydrophobicContact CD2-CE 3.86Å; L227-M260 HydrophobicContact CD2-CG 4.43Å; L227-M260 HydrophobicContact CG-CE 4.05Å; L227-L267 HydrophobicContact CD1-CD1 4.46Å; L227-L267 HydrophobicContact CD1-CD2 4.29Å; L227-F353 CarbonylContact O-C 3.59Å; L227-F353 WeakPolarHBondContact O-CA 3.31Å; L227-F353 WeakPolarHBondContact O-CB 3.45Å; L227-L354 WeakPolarHBondContact CA-O 3.37Å; L227-L354 HydrophobicContact CB-CB 4.41Å; L227-L354 VanDerWaalsContact CB-O 3.24Å; L227-L354 WeakPolarHBondContact CB-O 3.27Å; L227-L354 HydrophobicContact CD1-CB 4.05Å; L227-L354 HydrophobicContact CD1-CD2 3.92Å; L227-L354 HydrophobicContact CD1-CG 4.01Å; L227-L354 WeakPolarHBondContact CG-O 3.43Å; L227-L354 PolarHBondContact N-O 2.65Å; L227-L354 PolarHBondContact O-N 3.27Å |
| 228 | Q | 97.3 | Very high | 87.6 | Confident | 32 Ų | 32 | 75.1 Ų | 75.1 | 15% | 0.15 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 152.5 | -178.8 | -69.1 | -173.9 | -19 | 0 | 0 | 110.3 | H226 K249 V251 N349 | H226-Q228 WeakPolarHBondContact NE2-CG 3.41Å; H226-Q228 PolarHBondContact NE2-NE2 2.98Å; Q228-K249 HydrophobicContact CB-CB 4.48Å; Q228-K249 PolarHBondContact N-O 3.29Å; Q228-K249 WeakPolarHBondContact O-CB 3.37Å; Q228-K249 PolarHBondContact O-N 3.34Å; Q228-V251 HydrophobicContact CB-CG2 4.15Å; Q228-V251 HydrophobicContact CG-CG2 3.89Å; Q228-N349 HydrophobicContact CB-CB 4.09Å; Q228-N349 WeakPolarHBondContact CG-O 3.42Å |
| 229 | G | 95.6 | Very high | 89.3 | Confident | 1 Ų | 1 | 68.6 Ų | 68.6 | 1% | 0.01 | 33% | 0.333 | C | S | . | . | trans | -64.9 | 166.2 | 168.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | M347 T352 | G229-M347 CarbonylContact C-O 3.57Å; G229-M347 WeakPolarHBondContact CA-O 3.38Å; G229-T352 PolarHBondContact N-O 2.86Å | ||
| 230 | Q | 92.6 | Very high | 91 | Very high | 101 Ų | 101 | 60.2 Ų | 60.2 | 47% | 0.472 | 30% | 0.297 | S | S | . | . | trans | -110.6 | 38.3 | -177 | -76.5 | -177.5 | 75.7 | 0 | 0 | 114.9 | T232 N247 W248 K249 M347 | Q230-T232 PolarHBondContact O-N 2.73Å; Q230-N247 WeakPolarHBondContact CG-O 3.32Å; Q230-N247 PolarHBondContact NE2-O 2.93Å; Q230-W248 PolarHBondContact NE2-O 3.22Å; Q230-K249 HydrophobicContact CG-CB 3.8Å; Q230-M347 PolarHBondContact N-O 3.23Å | ||
| 231 | E | 85.1 | Confident | 92 | Very high | 145 Ų | 145 | 59.6 Ų | 59.6 | 68% | 0.678 | 30% | 0.303 | S | S | * | . | S | Bend | trans | 53.2 | 39.2 | 175.6 | -63.7 | 177.1 | -163.5 | 0 | 0 | 113.7 | M347 | E231-M347 PolarHBondContact N-O 3.37Š|
| 232 | T | 88 | Confident | 92.7 | Very high | 55 Ų | 55 | 59.4 Ų | 59.4 | 34% | 0.337 | 30% | 0.303 | S | S | . | . | trans | -120.7 | 150.8 | 177.6 | 44.8 | 0 | 0 | 0 | 0 | 110.5 | Q230 M347 | Q230-T232 PolarHBondContact O-N 2.73Å; T232-M347 WeakPolarHBondContact O-CA 3.45Å; T232-M347 WeakPolarHBondContact O-CB 3.38Å; T232-M347 WeakPolarHBondContact O-CG 3.35Å; T232-M347 PolarHBondContact O-N 3.08Å | ||
| 233 | T | 91.4 | Very high | 93.3 | Very high | 76 Ų | 76 | 56 Ų | 56 | 47% | 0.466 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 130.9 | 167.1 | -55 | 0 | 0 | 0 | 0 | 108.5 | L344 I345 | T233-L344 HydrophobicContact CG2-CB 4.39Å; T233-I345 WeakPolarHBondContact CA-O 3.29Å |
| 234 | I | 92.6 | Very high | 93.4 | Very high | 3 Ų | 3 | 56.5 Ų | 56.5 | 2% | 0.015 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 127.9 | 177.2 | -69.7 | -176.9 | 0 | 0 | 0 | 108.8 | D239 L240 L344 I345 M347 | I234-D239 HydrophobicContact CG2-CB 4Å; I234-L240 HydrophobicContact CD1-CD2 4.26Å; I234-L240 HydrophobicContact CG2-CD1 3.83Å; I234-L240 HydrophobicContact CG2-CD2 3.63Å; I234-L240 HydrophobicContact CG2-CG 3.64Å; I234-L344 WeakPolarHBondContact O-CA 3.44Å; I234-I345 HydrophobicContact CB-CB 4.4Å; I234-I345 PolarHBondContact N-O 3.42Å; I234-I345 PolarHBondContact O-N 3.11Å; I234-M347 HydrophobicContact CB-CG 4.47Å; I234-M347 HydrophobicContact CD1-CE 4.33Å; I234-M347 HydrophobicContact CD1-CG 3.46Å; I234-M347 VanDerWaalsContact CD1-CG 3.46Å; I234-M347 HydrophobicContact CD1-SD 3.8Å; I234-M347 HydrophobicContact CG1-CG 3.72Å |
| 235 | Q | 93 | Very high | 93.4 | Very high | 97 Ų | 97 | 53.9 Ų | 53.9 | 45% | 0.453 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 116.7 | 165.5 | -39.6 | -164.6 | 36.9 | 0 | 0 | 108.5 | R237 E238 D239 L344 | Q235-R237 VanDerWaalsContact C-N 3.34Å; Q235-R237 PolarHBondContact O-N 2.78Å; Q235-E238 HydrophobicContact CB-CB 4.37Å; Q235-E238 WeakPolarHBondContact CB-OE2 3.47Å; Q235-E238 PolarHBondContact O-N 3.27Å; Q235-D239 PolarHBondContact N-OD2 3.12Å; Q235-D239 VanDerWaalsContact O-CB 3.22Å; Q235-D239 WeakPolarHBondContact O-CB 3.06Å; Q235-D239 PolarHBondContact O-N 2.95Å; Q235-L344 HydrophobicContact CB-CD2 3.74Å; Q235-L344 HydrophobicContact CG-CD2 3.53Å |
| 236 | V | 92.3 | Very high | 93.2 | Very high | 3 Ų | 3 | 57.8 Ų | 57.8 | 2% | 0.018 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.2 | -42.7 | -167.6 | 170.4 | 0 | 0 | 0 | 0 | 112.5 | L240 I338 E341 T343 I345 | V236-L240 HydrophobicContact CB-CD1 4.32Å; V236-L240 HydrophobicContact CG1-CD1 4.2Å; V236-L240 HydrophobicContact CG2-CD1 4.02Å; V236-L240 WeakPolarHBondContact O-CB 3.4Å; V236-L240 PolarHBondContact O-N 3.18Å; V236-I338 HydrophobicContact CG1-CB 4.1Å; V236-I338 HydrophobicContact CG1-CG2 4.42Å; V236-I338 HydrophobicContact CG2-CB 3.85Å; V236-I338 HydrophobicContact CG2-CG1 3.85Å; V236-I338 HydrophobicContact CG2-CG2 3.82Å; V236-E341 WeakPolarHBondContact CB-O 3.14Å; V236-T343 VanDerWaalsContact CG2-O 3.29Å; V236-T343 WeakPolarHBondContact CG2-O 3.34Å; V236-T343 PolarHBondContact N-O 2.94Å; V236-T343 VanDerWaalsContact N-O 3.13Å; V236-I345 HydrophobicContact CG2-CG1 4.07Å |
| 237 | R | 92.3 | Very high | 93 | Very high | 139 Ų | 139 | 58.7 Ų | 58.7 | 53% | 0.525 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -67.2 | -43.9 | -178.2 | -177.9 | -178.8 | -170.7 | -163.9 | 5.9 | 113.1 | Q235 E341 Y342 | Q235-R237 VanDerWaalsContact C-N 3.34Å; Q235-R237 PolarHBondContact O-N 2.78Å; R237-E341 HydrophobicContact CB-CB 4.21Å; R237-E341 WeakPolarHBondContact CB-O 3.45Å; R237-E341 PolarHBondContact N-O 2.84Å; R237-Y342 PolarHBondContact NH1-OH 3.18Å |
| 238 | E | 92.5 | Very high | 93 | Very high | 112 Ų | 112 | 59 Ų | 59 | 52% | 0.523 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -84.9 | -39.2 | -173.4 | -64.1 | 69.8 | -152.7 | 0 | 0 | 111.6 | Q235 | Q235-E238 HydrophobicContact CB-CB 4.37Å; Q235-E238 WeakPolarHBondContact CB-OE2 3.47Å; Q235-E238 PolarHBondContact O-N 3.27Å |
| 239 | D | 91.9 | Very high | 92.9 | Very high | 58 Ų | 58 | 62.8 Ų | 62.8 | 31% | 0.31 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -98.4 | -15.9 | -169.2 | -61.2 | -38.8 | 0 | 0 | 0 | 113.5 | I234 Q235 R246 | I234-D239 HydrophobicContact CG2-CB 4Å; Q235-D239 PolarHBondContact N-OD2 3.12Å; Q235-D239 VanDerWaalsContact O-CB 3.22Å; Q235-D239 WeakPolarHBondContact O-CB 3.06Å; Q235-D239 PolarHBondContact O-N 2.95Å; D239-R246 PolarHBondContact O-NE 3.16Å; D239-R246 VanDerWaalsContact O-NE 3.16Å; D239-R246 PolarHBondContact O-NH1 3.35Å; D239-R246 PolarHBondContact O-NH2 2.91Å |
| 240 | L | 93.7 | Very high | 92.7 | Very high | 15 Ų | 15 | 67.4 Ų | 67.4 | 8% | 0.079 | 33% | 0.329 | C | S | . | . | trans | -118.1 | 133.1 | -173.6 | -52.3 | -178.4 | 0 | 0 | 0 | 113 | I234 V236 Q242 V244 L245 R246 I338 | I234-L240 HydrophobicContact CD1-CD2 4.26Å; I234-L240 HydrophobicContact CG2-CD1 3.83Å; I234-L240 HydrophobicContact CG2-CD2 3.63Å; I234-L240 HydrophobicContact CG2-CG 3.64Å; V236-L240 HydrophobicContact CB-CD1 4.32Å; V236-L240 HydrophobicContact CG1-CD1 4.2Å; V236-L240 HydrophobicContact CG2-CD1 4.02Å; V236-L240 WeakPolarHBondContact O-CB 3.4Å; V236-L240 PolarHBondContact O-N 3.18Å; L240-Q242 PolarHBondContact O-N 2.96Å; L240-V244 WeakPolarHBondContact CD2-O 3.32Å; L240-L245 HydrophobicContact CD1-CD2 3.77Å; L240-R246 HydrophobicContact CD2-CG 3.95Å; L240-I338 HydrophobicContact CD1-CG1 4.49Å | ||
| 241 | S | 91.9 | Very high | 92.4 | Very high | 70 Ų | 70 | 66.3 Ų | 66.3 | 49% | 0.49 | 33% | 0.33 | S | S | . | . | G | 310 helix | trans | -77.1 | 119 | 166.7 | 54.5 | 0 | 0 | 0 | 0 | 109.6 | G243 V244 | S241-G243 PolarHBondContact O-N 2.82Å; S241-V244 PolarHBondContact O-N 3.29Å |
| 242 | Q | 91.3 | Very high | 92.6 | Very high | 160 Ų | 160 | 62.4 Ų | 62.4 | 75% | 0.748 | 32% | 0.318 | S | S | * | . | G | 310 helix | trans | 56.8 | 28 | 179.6 | -52.7 | -175.1 | -47.7 | 0 | 0 | 113.9 | L240 V244 R337 | L240-Q242 PolarHBondContact O-N 2.96Å; Q242-V244 PolarHBondContact O-N 3.14Å; Q242-R337 PolarHBondContact O-NE 3.4Å |
| 243 | G | 94.5 | Very high | 92.9 | Very high | 9 Ų | 9 | 61.6 Ų | 61.6 | 9% | 0.093 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | 69.5 | 11 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | S241 R337 I338 | S241-G243 PolarHBondContact O-N 2.82Å; G243-R337 CarbonylContact O-C 3.54Å; G243-R337 WeakPolarHBondContact O-CA 3.29Å; G243-I338 PolarHBondContact O-N 2.94Å |
| 244 | V | 97 | Very high | 93.1 | Very high | 14 Ų | 14 | 60.5 Ų | 60.5 | 9% | 0.085 | 30% | 0.302 | C | S | . | . | B | Isolated β-bridge | trans | -79.7 | 121.8 | -177.9 | -179.5 | 0 | 0 | 0 | 0 | 111.1 | L240 S241 Q242 T264 I336 | L240-V244 WeakPolarHBondContact CD2-O 3.32Å; S241-V244 PolarHBondContact O-N 3.29Å; Q242-V244 PolarHBondContact O-N 3.14Å; V244-T264 WeakPolarHBondContact CG1-O 3.4Å; V244-I336 CarbonylContact C-O 3.59Å; V244-I336 WeakPolarHBondContact CA-O 3.42Å |
| 245 | L | 96.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 34% | 0.336 | C | S | . | . | trans | -65.6 | 132.3 | 179 | -72.4 | -173.7 | 0 | 0 | 0 | 112.1 | L240 W248 G265 V281 I336 I338 I345 M347 | L240-L245 HydrophobicContact CD1-CD2 3.77Å; L245-W248 HydrophobicContact CB-CZ2 3.87Å; L245-W248 HydrophobicContact CD1-CH2 4.35Å; L245-W248 HydrophobicContact CD1-CZ2 4.17Å; L245-W248 PolarHBondContact O-NE1 2.98Å; L245-W248 VanDerWaalsContact O-NE1 3.12Å; L245-G265 WeakPolarHBondContact O-CA 3.42Å; L245-V281 HydrophobicContact CD1-CG1 4.24Å; L245-V281 HydrophobicContact CD1-CG2 3.85Å; L245-I336 HydrophobicContact CB-CB 4.25Å; L245-I336 HydrophobicContact CD1-CB 4.02Å; L245-I336 HydrophobicContact CD1-CD1 4.38Å; L245-I336 HydrophobicContact CD1-CG2 3.64Å; L245-I336 HydrophobicContact CG-CB 4.28Å; L245-I336 HydrophobicContact CG-CG2 4.04Å; L245-I336 PolarHBondContact N-O 3.13Å; L245-I338 HydrophobicContact CD1-CD1 3.98Å; L245-I338 HydrophobicContact CD2-CD1 4.04Å; L245-I338 HydrophobicContact CD2-CG1 3.86Å; L245-I338 HydrophobicContact CG-CD1 3.92Å; L245-I338 HydrophobicContact CG-CG1 4.06Å; L245-I345 HydrophobicContact CD2-CG1 4.34Å; L245-I345 HydrophobicContact CD2-CG2 4.32Å; L245-M347 HydrophobicContact CD2-SD 4.33Å | ||
| 246 | R | 94.4 | Very high | 93.2 | Very high | 83 Ų | 83 | 69.7 Ų | 69.7 | 31% | 0.313 | 35% | 0.347 | S | S | . | . | trans | -125.7 | -165.7 | 176.6 | 65.3 | -173.6 | -174.9 | -165.4 | 6 | 111 | D239 L240 M347 | D239-R246 PolarHBondContact O-NE 3.16Å; D239-R246 VanDerWaalsContact O-NE 3.16Å; D239-R246 PolarHBondContact O-NH1 3.35Å; D239-R246 PolarHBondContact O-NH2 2.91Å; L240-R246 HydrophobicContact CD2-CG 3.95Å; R246-M347 VanDerWaalsContact O-CE 3.32Å; R246-M347 WeakPolarHBondContact O-CE 3.37Å | ||
| 247 | N | 93.3 | Very high | 93.4 | Very high | 60 Ų | 60 | 69.9 Ų | 69.9 | 32% | 0.321 | 35% | 0.348 | S | S | . | . | trans | 65.5 | 38.6 | -178.3 | -59.1 | -10.8 | 0 | 0 | 0 | 114.2 | Q230 | Q230-N247 WeakPolarHBondContact CG-O 3.32Å; Q230-N247 PolarHBondContact NE2-O 2.93Å | ||
| 248 | W | 95.9 | Very high | 93.7 | Very high | 7 Ų | 7 | 63.4 Ų | 63.4 | 3% | 0.027 | 32% | 0.324 | C | S | . | . | trans | -77.5 | 128.7 | 175.4 | -62.7 | 112.9 | 0 | 0 | 0 | 113.2 | L227 Q230 L245 M260 I336 M347 T352 L354 | L227-W248 HydrophobicContact CB-CB 4.23Å; L227-W248 HydrophobicContact CB-CD2 4.21Å; L227-W248 HydrophobicContact CB-CE3 3.93Å; L227-W248 HydrophobicContact CB-CG 4.36Å; Q230-W248 PolarHBondContact NE2-O 3.22Å; L245-W248 HydrophobicContact CB-CZ2 3.87Å; L245-W248 HydrophobicContact CD1-CH2 4.35Å; L245-W248 HydrophobicContact CD1-CZ2 4.17Å; L245-W248 PolarHBondContact O-NE1 2.98Å; L245-W248 VanDerWaalsContact O-NE1 3.12Å; W248-M260 HydrophobicContact CB-CE 4.21Å; W248-M260 HydrophobicContact CG-CE 4.06Å; W248-I336 HydrophobicContact CH2-CD1 4Å; W248-I336 HydrophobicContact CZ2-CD1 3.96Å; W248-M347 HydrophobicContact CE3-CE 4.29Å; W248-M347 HydrophobicContact CH2-CE 4.16Å; W248-M347 HydrophobicContact CZ2-CE 4.47Å; W248-M347 HydrophobicContact CZ3-CE 4.05Å; W248-T352 HydrophobicContact CH2-CG2 3.97Å; W248-T352 HydrophobicContact CZ3-CG2 4.15Å; W248-L354 HydrophobicContact CH2-CB 4.03Å; W248-L354 HydrophobicContact CZ2-CB 4.16Å; W248-L354 HydrophobicContact CZ3-CB 4.32Å | ||
| 249 | K | 94.9 | Very high | 94 | Very high | 110 Ų | 110 | 65.4 Ų | 65.4 | 48% | 0.478 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 121.4 | 164.5 | -172.5 | 178.1 | -178.3 | 179 | 0 | 109.6 | L227 Q228 Q230 V251 | L227-K249 WeakPolarHBondContact CA-O 3.29Å; Q228-K249 HydrophobicContact CB-CB 4.48Å; Q228-K249 PolarHBondContact N-O 3.29Å; Q228-K249 WeakPolarHBondContact O-CB 3.37Å; Q228-K249 PolarHBondContact O-N 3.34Å; Q230-K249 HydrophobicContact CG-CB 3.8Å; K249-V251 HydrophobicContact CD-CG2 4.34Å; K249-V251 HydrophobicContact CG-CG2 4.21Å; K249-V251 PolarHBondContact O-N 2.75Å |
| 250 | M | 91.9 | Very high | 94.2 | Very high | 98 Ų | 98 | 63.4 Ų | 63.4 | 48% | 0.483 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 93.6 | 177.2 | -65.9 | 171.9 | -78.4 | 0 | 0 | 110 | L227 I253 M260 | L227-M250 HydrophobicContact CD2-CG 3.87Å; M250-I253 HydrophobicContact CB-CG2 4.41Å; M250-I253 HydrophobicContact SD-CD1 4.49Å; M250-M260 HydrophobicContact CG-CB 4.24Å; M250-M260 HydrophobicContact CG-CG 4.24Å; M250-M260 HydrophobicContact SD-CB 3.83Å; M250-M260 HydrophobicContact SD-CG 4.12Å |
| 251 | V | 86.4 | Confident | 94.3 | Very high | 79 Ų | 79 | 65.4 Ų | 65.4 | 48% | 0.479 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | -46.3 | -180 | 179.5 | 0 | 0 | 0 | 0 | 111.3 | H226 Q228 K249 | H226-V251 PolarHBondContact O-N 3.27Å; Q228-V251 HydrophobicContact CB-CG2 4.15Å; Q228-V251 HydrophobicContact CG-CG2 3.89Å; K249-V251 HydrophobicContact CD-CG2 4.34Å; K249-V251 HydrophobicContact CG-CG2 4.21Å; K249-V251 PolarHBondContact O-N 2.75Å |
| 252 | S | 88.8 | Confident | 94.3 | Very high | 62 Ų | 62 | 65.7 Ų | 65.7 | 43% | 0.434 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 121.7 | 176.3 | -178.7 | 0 | 0 | 0 | 0 | 108.4 | V225 H226 | V225-S252 CarbonylContact C-O 3.58Å; V225-S252 VanDerWaalsContact CA-O 3.28Å; V225-S252 WeakPolarHBondContact CA-O 3.3Å; H226-S252 PolarHBondContact N-O 3.04Å; H226-S252 PolarHBondContact O-N 3.23Å |
| 253 | I | 94.3 | Very high | 94.3 | Very high | 38 Ų | 38 | 68.4 Ų | 68.4 | 20% | 0.195 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 120.1 | 176.9 | -171.4 | 167.4 | 0 | 0 | 0 | 110.5 | V225 M250 K255 F258 M260 | V225-I253 HydrophobicContact CB-CG1 4.24Å; V225-I253 HydrophobicContact CG2-CB 3.99Å; V225-I253 HydrophobicContact CG2-CD1 4.01Å; V225-I253 HydrophobicContact CG2-CG1 3.74Å; M250-I253 HydrophobicContact CB-CG2 4.41Å; M250-I253 HydrophobicContact SD-CD1 4.49Å; I253-K255 HydrophobicContact CG2-CG 4.29Å; I253-K255 PolarHBondContact O-N 2.85Å; I253-F258 HydrophobicContact CD1-CB 4.07Å; I253-F258 HydrophobicContact CG1-CB 3.89Å; I253-M260 HydrophobicContact CD1-CB 4.23Å |
| 254 | N | 95.6 | Very high | 94.3 | Very high | 53 Ų | 53 | 70.3 Ų | 70.3 | 28% | 0.283 | 34% | 0.34 | S | S | . | . | trans | -76.6 | 104.4 | 165.6 | -174.3 | -42.6 | 0 | 0 | 0 | 109.5 | A223 V224 D256 V257 F258 | A223-N254 HydrophobicContact CB-CB 3.9Å; V224-N254 PolarHBondContact O-N 3.13Å; N254-D256 PolarHBondContact O-N 2.81Å; N254-D256 WeakPolarHBondContact OD1-CB 3.41Å; N254-D256 PolarHBondContact OD1-N 2.9Å; N254-D256 VanDerWaalsContact OD1-N 3.09Å; N254-V257 PolarHBondContact O-N 2.82Å; N254-F258 HydrophobicContact CB-CD2 4.39Å; N254-F258 PolarHBondContact O-N 2.87Å | ||
| 255 | K | 94.8 | Very high | 94.3 | Very high | 164 Ų | 164 | 69.6 Ų | 69.6 | 71% | 0.713 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -15.5 | -174 | -63.1 | -177.5 | -178.6 | 177.9 | 0 | 114.5 | I253 V257 L270 | I253-K255 HydrophobicContact CG2-CG 4.29Å; I253-K255 PolarHBondContact O-N 2.85Å; K255-V257 VanDerWaalsContact C-N 3.31Å; K255-L270 WeakPolarHBondContact O-CD1 3.31Å |
| 256 | D | 94.3 | Very high | 94.3 | Very high | 130 Ų | 130 | 71.5 Ų | 71.5 | 70% | 0.695 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | -21.8 | 177.1 | -59.9 | -31.2 | 0 | 0 | 0 | 111.6 | N254 | N254-D256 PolarHBondContact O-N 2.81Å; N254-D256 WeakPolarHBondContact OD1-CB 3.41Å; N254-D256 PolarHBondContact OD1-N 2.9Å; N254-D256 VanDerWaalsContact OD1-N 3.09Å |
| 257 | V | 96.5 | Very high | 94.5 | Very high | 7 Ų | 7 | 67.6 Ų | 67.6 | 4% | 0.042 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.5 | -27.8 | -175.3 | -176.4 | 0 | 0 | 0 | 0 | 112.6 | A223 N254 K255 V269 L270 L271 Y275 R358 | A223-V257 HydrophobicContact CB-CB 3.64Å; A223-V257 HydrophobicContact CB-CG1 3.96Å; A223-V257 HydrophobicContact CB-CG2 3.33Å; N254-V257 PolarHBondContact O-N 2.82Å; K255-V257 VanDerWaalsContact C-N 3.31Å; V257-V269 CarbonylContact O-C 3.5Å; V257-V269 WeakPolarHBondContact O-CA 3.2Å; V257-L270 PolarHBondContact O-N 2.88Å; V257-L271 HydrophobicContact CG2-CD1 3.83Å; V257-Y275 HydrophobicContact CG1-CE1 3.99Å; V257-Y275 WeakPolarHBondContact CG1-OH 3.19Å; V257-R358 HydrophobicContact CG1-CB 4.01Å; V257-R358 HydrophobicContact CG1-CG 4.38Å |
| 258 | F | 98 | Very high | 94.8 | Very high | 2 Ų | 2 | 65.8 Ų | 65.8 | 1% | 0.009 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 141.1 | -174.3 | -59.9 | -75.3 | 0 | 0 | 0 | 111.7 | A223 V225 I253 N254 L267 V268 V269 Y275 | A223-F258 HydrophobicContact CB-CE2 4.03Å; A223-F258 WeakPolarHBondContact O-CE2 3.39Å; V225-F258 HydrophobicContact CB-CB 4.25Å; V225-F258 HydrophobicContact CB-CD1 4.4Å; V225-F258 HydrophobicContact CB-CD2 3.8Å; V225-F258 HydrophobicContact CB-CE2 4.2Å; V225-F258 HydrophobicContact CB-CG 3.9Å; V225-F258 HydrophobicContact CG1-CB 4.33Å; V225-F258 HydrophobicContact CG1-CD1 3.65Å; V225-F258 HydrophobicContact CG1-CD2 3.81Å; V225-F258 HydrophobicContact CG1-CE1 3.76Å; V225-F258 HydrophobicContact CG1-CE2 3.93Å; V225-F258 HydrophobicContact CG1-CG 3.66Å; V225-F258 HydrophobicContact CG1-CZ 3.89Å; I253-F258 HydrophobicContact CD1-CB 4.07Å; I253-F258 HydrophobicContact CG1-CB 3.89Å; N254-F258 HydrophobicContact CB-CD2 4.39Å; N254-F258 PolarHBondContact O-N 2.87Å; F258-L267 HydrophobicContact CB-CD1 4Å; F258-L267 HydrophobicContact CD1-CD1 4.23Å; F258-L267 HydrophobicContact CD1-CD2 4.35Å; F258-L267 HydrophobicContact CD1-CG 4.37Å; F258-L267 HydrophobicContact CG-CD1 4.48Å; F258-V268 WeakPolarHBondContact CA-O 3.35Å; F258-V269 HydrophobicContact CD1-CG1 4.14Å; F258-V269 HydrophobicContact CE1-CG1 4.04Å; F258-Y275 AromaticContact CE1-CD1 3.85Å; F258-Y275 HydrophobicContact CE1-CD1 3.85Å; F258-Y275 AromaticContact CE1-CE1 3.54Å; F258-Y275 HydrophobicContact CE1-CE1 3.54Å; F258-Y275 AromaticContact CZ-CD1 3.98Å; F258-Y275 HydrophobicContact CZ-CD1 3.98Å; F258-Y275 AromaticContact CZ-CE1 3.69Å; F258-Y275 HydrophobicContact CZ-CE1 3.69Å |
| 259 | R | 97.6 | Very high | 94.9 | Very high | 154 Ų | 154 | 65.4 Ų | 65.4 | 58% | 0.581 | 32% | 0.32 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 117.5 | 171.6 | -178 | -169.5 | -60.2 | 153.2 | 1.7 | 109.5 | V268 L270 | R259-V268 HydrophobicContact CB-CB 4.33Å; R259-V268 PolarHBondContact N-O 2.93Å; R259-V268 PolarHBondContact O-N 3.37Å; R259-L270 HydrophobicContact CB-CD1 4.35Å; R259-L270 HydrophobicContact CB-CD2 4.1Å; R259-L270 HydrophobicContact CB-CG 4.42Å |
| 260 | M | 96.8 | Very high | 95 | Very high | 16 Ų | 16 | 61.9 Ų | 61.9 | 8% | 0.079 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 131.5 | 174.7 | 169.8 | 52.1 | 74.7 | 0 | 0 | 110.7 | L227 W248 M250 I253 P262 L267 | L227-M260 HydrophobicContact CD1-CE 3.11Å; L227-M260 HydrophobicContact CD2-CB 4.49Å; L227-M260 HydrophobicContact CD2-CE 3.86Å; L227-M260 HydrophobicContact CD2-CG 4.43Å; L227-M260 HydrophobicContact CG-CE 4.05Å; W248-M260 HydrophobicContact CB-CE 4.21Å; W248-M260 HydrophobicContact CG-CE 4.06Å; M250-M260 HydrophobicContact CG-CB 4.24Å; M250-M260 HydrophobicContact CG-CG 4.24Å; M250-M260 HydrophobicContact SD-CB 3.83Å; M250-M260 HydrophobicContact SD-CG 4.12Å; I253-M260 HydrophobicContact CD1-CB 4.23Å; M260-P262 WeakPolarHBondContact O-CD 3.44Å; M260-L267 HydrophobicContact CB-CD1 4.49Å; M260-L267 HydrophobicContact CE-CB 3.98Å; M260-L267 HydrophobicContact CE-CD1 4.44Å |
| 261 | N | 96 | Very high | 95.2 | Very high | 58 Ų | 58 | 60.5 Ų | 60.5 | 31% | 0.31 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 105.3 | 166.9 | -175.5 | -14.1 | 0 | 0 | 0 | 110 | R263 T264 G265 E266 | N261-R263 PolarHBondContact O-N 2.88Å; N261-R263 PolarHBondContact OD1-N 2.84Å; N261-R263 VanDerWaalsContact OD1-N 3.11Å; N261-T264 WeakPolarHBondContact CB-OG1 3.29Å; N261-T264 WeakPolarHBondContact ND2-CG2 3.46Å; N261-T264 PolarHBondContact ND2-OG1 2.92Å; N261-T264 VanDerWaalsContact ND2-OG1 3.12Å; N261-T264 PolarHBondContact O-N 2.98Å; N261-T264 PolarHBondContact OD1-N 2.9Å; N261-G265 WeakPolarHBondContact O-CA 3.39Å; N261-G265 PolarHBondContact O-N 2.99Å; N261-E266 PolarHBondContact N-O 2.03Å |
| 262 | P | 92.4 | Very high | 95.6 | Very high | 76 Ų | 76 | 60.8 Ų | 60.8 | 49% | 0.494 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -22 | -174.7 | 27.8 | -35.2 | 0 | 0 | 0 | 113.5 | M260 | M260-P262 WeakPolarHBondContact O-CD 3.44Š|
| 263 | R | 91.8 | Very high | 95.9 | Very high | 216 Ų | 216 | 57.8 Ų | 57.8 | 82% | 0.815 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -41.1 | -179.4 | -60.1 | -173.3 | -163.9 | -157.3 | 3.6 | 112 | N261 | N261-R263 PolarHBondContact O-N 2.88Å; N261-R263 PolarHBondContact OD1-N 2.84Å; N261-R263 VanDerWaalsContact OD1-N 3.11Å |
| 264 | T | 94.5 | Very high | 96 | Very high | 49 Ų | 49 | 57.4 Ų | 57.4 | 30% | 0.301 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | -18.9 | -178.3 | 64.1 | 0 | 0 | 0 | 0 | 113.1 | V244 N261 E266 | V244-T264 WeakPolarHBondContact CG1-O 3.4Å; N261-T264 WeakPolarHBondContact CB-OG1 3.29Å; N261-T264 WeakPolarHBondContact ND2-CG2 3.46Å; N261-T264 PolarHBondContact ND2-OG1 2.92Å; N261-T264 VanDerWaalsContact ND2-OG1 3.12Å; N261-T264 PolarHBondContact O-N 2.98Å; N261-T264 PolarHBondContact OD1-N 2.9Å; T264-E266 PolarHBondContact O-N 3.47Å; T264-E266 WeakPolarHBondContact OG1-CB 3.45Å; T264-E266 WeakPolarHBondContact OG1-CG 3.48Å; T264-E266 PolarHBondContact OG1-N 3.11Å; T264-E266 PolarHBondContact OG1-OE2 3.37Å |
| 265 | G | 95.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77.9 | 7.4 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114 | L245 N261 | L245-G265 WeakPolarHBondContact O-CA 3.42Å; N261-G265 WeakPolarHBondContact O-CA 3.39Å; N261-G265 PolarHBondContact O-N 2.99Å |
| 266 | E | 97.5 | Very high | 96.3 | Very high | 40 Ų | 40 | 50.2 Ų | 50.2 | 19% | 0.187 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 129.6 | -177.2 | -61.5 | 171.7 | 127 | 0 | 0 | 111.8 | N261 T264 K333 | N261-E266 PolarHBondContact N-O 2.03Å; T264-E266 PolarHBondContact O-N 3.47Å; T264-E266 WeakPolarHBondContact OG1-CB 3.45Å; T264-E266 WeakPolarHBondContact OG1-CG 3.48Å; T264-E266 PolarHBondContact OG1-N 3.11Å; T264-E266 PolarHBondContact OG1-OE2 3.37Å; E266-K333 HydrophobicContact CB-CB 4.41Å; E266-K333 HydrophobicContact CB-CD 4.21Å; E266-K333 VanDerWaalsContact CD-NZ 3.3Å; E266-K333 HydrophobicContact CG-CD 4.23Å; E266-K333 WeakPolarHBondContact OE1-CD 3.41Å; E266-K333 IonicContact OE1-NZ 2.97Å; E266-K333 PolarHBondContact OE1-NZ 2.99Å; E266-K333 IonicContact OE2-NZ 2.92Å; E266-K333 PolarHBondContact OE2-NZ 3.29Å |
| 267 | L | 98.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 108.7 | 170.8 | 175.9 | 67.4 | 0 | 0 | 0 | 109.7 | V225 L227 F258 M260 K333 I334 | V225-L267 HydrophobicContact CG1-CD1 4.21Å; V225-L267 HydrophobicContact CG1-CD2 3.66Å; V225-L267 HydrophobicContact CG2-CD1 4.15Å; L227-L267 HydrophobicContact CD1-CD1 4.46Å; L227-L267 HydrophobicContact CD1-CD2 4.29Å; F258-L267 HydrophobicContact CB-CD1 4Å; F258-L267 HydrophobicContact CD1-CD1 4.23Å; F258-L267 HydrophobicContact CD1-CD2 4.35Å; F258-L267 HydrophobicContact CD1-CG 4.37Å; F258-L267 HydrophobicContact CG-CD1 4.48Å; M260-L267 HydrophobicContact CB-CD1 4.49Å; M260-L267 HydrophobicContact CE-CB 3.98Å; M260-L267 HydrophobicContact CE-CD1 4.44Å; L267-K333 CarbonylContact O-C 3.44Å; L267-K333 WeakPolarHBondContact O-CA 3.44Å; L267-I334 HydrophobicContact CB-CB 4.29Å; L267-I334 HydrophobicContact CD2-CD1 4.24Å; L267-I334 PolarHBondContact N-O 3.47Å; L267-I334 PolarHBondContact O-N 2.94Å |
| 268 | V | 98.4 | Very high | 96.6 | Very high | 22 Ų | 22 | 45.3 Ų | 45.3 | 13% | 0.133 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 130.4 | 179.3 | -170.4 | 0 | 0 | 0 | 0 | 110.2 | F258 R259 L270 Q332 K333 | F258-V268 WeakPolarHBondContact CA-O 3.35Å; R259-V268 HydrophobicContact CB-CB 4.33Å; R259-V268 PolarHBondContact N-O 2.93Å; R259-V268 PolarHBondContact O-N 3.37Å; V268-L270 HydrophobicContact CG1-CD2 4.37Å; V268-Q332 WeakPolarHBondContact CA-O 3.17Å; V268-K333 HydrophobicContact CG2-CG 4.24Å |
| 269 | V | 97.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 136.3 | 168.6 | -61.2 | 0 | 0 | 0 | 0 | 110.4 | V257 F258 Y275 L328 R329 G331 Q332 I334 | V257-V269 CarbonylContact O-C 3.5Å; V257-V269 WeakPolarHBondContact O-CA 3.2Å; F258-V269 HydrophobicContact CD1-CG1 4.14Å; F258-V269 HydrophobicContact CE1-CG1 4.04Å; V269-Y275 HydrophobicContact CB-CE1 4.16Å; V269-Y275 HydrophobicContact CB-CE2 4.48Å; V269-Y275 HydrophobicContact CG1-CD1 4.07Å; V269-Y275 HydrophobicContact CG1-CE1 3.63Å; V269-Y275 HydrophobicContact CG1-CE2 4.44Å; V269-L328 HydrophobicContact CG1-CD1 3.85Å; V269-L328 HydrophobicContact CG2-CB 3.9Å; V269-L328 HydrophobicContact CG2-CD1 4.21Å; V269-R329 VanDerWaalsContact CG2-O 3.23Å; V269-R329 WeakPolarHBondContact CG2-O 3.49Å; V269-G331 PolarHBondContact O-N 2.69Å; V269-Q332 HydrophobicContact CG2-CB 4.14Å; V269-Q332 WeakPolarHBondContact CG2-O 3.41Å; V269-Q332 PolarHBondContact N-O 2.89Å; V269-I334 HydrophobicContact CG1-CD1 4.12Å |
| 270 | L | 97.5 | Very high | 96.7 | Very high | 35 Ų | 35 | 39.4 Ų | 39.4 | 18% | 0.183 | 19% | 0.194 | C | C | . | . | trans | -101.6 | -12.6 | -173.8 | -57.7 | -178.1 | 0 | 0 | 0 | 113.3 | K255 V257 R259 V268 S330 | K255-L270 WeakPolarHBondContact O-CD1 3.31Å; V257-L270 PolarHBondContact O-N 2.88Å; R259-L270 HydrophobicContact CB-CD1 4.35Å; R259-L270 HydrophobicContact CB-CD2 4.1Å; R259-L270 HydrophobicContact CB-CG 4.42Å; V268-L270 HydrophobicContact CG1-CD2 4.37Å; L270-S330 VanDerWaalsContact C-OG 3.25Å; L270-S330 WeakPolarHBondContact O-CB 3.44Å; L270-S330 PolarHBondContact O-OG 3.32Å | ||
| 271 | L | 95.5 | Very high | 96.7 | Very high | 70 Ų | 70 | 38.6 Ų | 38.6 | 37% | 0.366 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -129.1 | 154.1 | -178.9 | -61.3 | -179.2 | 0 | 0 | 0 | 110.2 | V257 Y275 | V257-L271 HydrophobicContact CG2-CD1 3.83Å; L271-Y275 PolarHBondContact O-OH 2.96Å |
| 272 | D | 95.9 | Very high | 96.7 | Very high | 84 Ų | 84 | 36.8 Ų | 36.8 | 45% | 0.449 | 18% | 0.179 | S | C | . | . | trans | -71 | 143.7 | 168.8 | -66.5 | 5.4 | 0 | 0 | 0 | 109.6 | L328 R329 S330 R358 | D272-L328 WeakPolarHBondContact CA-O 3.45Å; D272-R329 WeakPolarHBondContact OD1-CA 3.43Å; D272-S330 PolarHBondContact OD1-N 3.45Å; D272-R358 PolarHBondContact O-NE 2.88Å; D272-R358 VanDerWaalsContact O-NE 3.13Å; D272-R358 PolarHBondContact O-NH2 3.31Å | ||
| 273 | G | 95.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 174.2 | 178.3 | 179 | 0 | 0 | 0 | 0 | 0 | 115.8 | Y275 L327 L328 G360 | G273-Y275 WeakPolarHBondContact O-CD2 3.37Å; G273-L327 WeakPolarHBondContact O-CA 3.34Å; G273-L328 PolarHBondContact N-O 3.47Å; G273-L328 PolarHBondContact O-N 3.33Å; G273-G360 WeakPolarHBondContact CA-O 3.34Å |
| 274 | V | 96.7 | Very high | 96.2 | Very high | 30 Ų | 30 | 25 Ų | 25 | 18% | 0.182 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 123.2 | 166.8 | -175.7 | 0 | 0 | 0 | 0 | 108.1 | V325 L359 G360 | V274-V325 HydrophobicContact CG1-CG1 3.43Å; V274-V325 VanDerWaalsContact CG1-CG1 3.43Å; V274-L359 HydrophobicContact CB-CB 4.46Å; V274-L359 HydrophobicContact CG1-CB 4.49Å; V274-L359 HydrophobicContact CG1-CD1 4.22Å; V274-L359 PolarHBondContact O-N 2.9Å; V274-G360 PolarHBondContact N-O 3.44Å |
| 275 | Y | 98.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 124.8 | -175.9 | -72.2 | -96.8 | 0 | 0 | 0 | 110.6 | V257 F258 V269 L271 G273 V325 S326 L328 V357 R358 | V257-Y275 HydrophobicContact CG1-CE1 3.99Å; V257-Y275 WeakPolarHBondContact CG1-OH 3.19Å; F258-Y275 AromaticContact CE1-CD1 3.85Å; F258-Y275 HydrophobicContact CE1-CD1 3.85Å; F258-Y275 AromaticContact CE1-CE1 3.54Å; F258-Y275 HydrophobicContact CE1-CE1 3.54Å; F258-Y275 AromaticContact CZ-CD1 3.98Å; F258-Y275 HydrophobicContact CZ-CD1 3.98Å; F258-Y275 AromaticContact CZ-CE1 3.69Å; F258-Y275 HydrophobicContact CZ-CE1 3.69Å; V269-Y275 HydrophobicContact CB-CE1 4.16Å; V269-Y275 HydrophobicContact CB-CE2 4.48Å; V269-Y275 HydrophobicContact CG1-CD1 4.07Å; V269-Y275 HydrophobicContact CG1-CE1 3.63Å; V269-Y275 HydrophobicContact CG1-CE2 4.44Å; L271-Y275 PolarHBondContact O-OH 2.96Å; G273-Y275 WeakPolarHBondContact O-CD2 3.37Å; Y275-V325 CarbonylContact O-C 3.56Å; Y275-V325 VanDerWaalsContact O-CA 3.3Å; Y275-V325 WeakPolarHBondContact O-CA 3.38Å; Y275-S326 PolarHBondContact N-O 2.94Å; Y275-S326 PolarHBondContact O-N 3.02Å; Y275-L328 HydrophobicContact CD1-CD1 4.5Å; Y275-L328 HydrophobicContact CD2-CB 3.64Å; Y275-L328 HydrophobicContact CD2-CD1 3.95Å; Y275-L328 HydrophobicContact CD2-CG 3.92Å; Y275-L328 HydrophobicContact CE2-CB 3.92Å; Y275-L328 HydrophobicContact CG-CB 4.43Å; Y275-L328 HydrophobicContact CG-CD1 3.9Å; Y275-L328 HydrophobicContact CG-CG 4.28Å; Y275-V357 CarbonylContact C-O 3.46Å; Y275-V357 WeakPolarHBondContact CA-O 3.47Å; Y275-R358 HydrophobicContact CD1-CB 4.03Å; Y275-R358 HydrophobicContact CD1-CG 4.43Å; Y275-R358 HydrophobicContact CE1-CB 3.64Å; Y275-R358 HydrophobicContact CE1-CG 3.9Å; Y275-R358 HydrophobicContact CE2-CG 4.19Å; Y275-R358 WeakPolarHBondContact OH-CD 3.2Å |
| 276 | F | 98.4 | Very high | 94.8 | Very high | 66 Ų | 66 | 25.5 Ų | 25.5 | 29% | 0.289 | 12% | 0.123 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 127.9 | 160.6 | 178.1 | -110.9 | 0 | 0 | 0 | 108.1 | Y278 A323 V325 S356 V357 L359 | F276-Y278 AromaticContact CD1-CD1 3.91Å; F276-Y278 HydrophobicContact CD1-CD1 3.91Å; F276-Y278 AromaticContact CE1-CD1 3.64Å; F276-Y278 HydrophobicContact CE1-CD1 3.64Å; F276-Y278 HydrophobicContact CE1-CG 4.21Å; F276-A323 HydrophobicContact CE2-CB 3.89Å; F276-A323 HydrophobicContact CZ-CB 3.75Å; F276-V325 HydrophobicContact CB-CG2 4.41Å; F276-V325 HydrophobicContact CD2-CG2 3.88Å; F276-S356 CarbonylContact O-C 3.51Å; F276-S356 WeakPolarHBondContact O-CA 3.34Å; F276-S356 WeakPolarHBondContact O-CB 3.41Å; F276-S356 PolarHBondContact O-OG 3.3Å; F276-V357 HydrophobicContact CB-CB 4.37Å; F276-V357 HydrophobicContact CD1-CG2 4.44Å; F276-V357 PolarHBondContact N-O 2.77Å; F276-V357 PolarHBondContact O-N 3.42Å; F276-L359 HydrophobicContact CB-CD1 4.1Å; F276-L359 HydrophobicContact CB-CD2 4.47Å; F276-L359 HydrophobicContact CB-CG 4.3Å |
| 277 | I | 98.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 132.7 | -178.1 | -53.1 | 170 | 0 | 0 | 0 | 107.1 | V296 V298 F303 A323 G324 L328 I334 L354 | I277-V296 HydrophobicContact CG2-CG1 3.9Å; I277-V298 HydrophobicContact CD1-CG2 4.49Å; I277-F303 HydrophobicContact CB-CE1 4.45Å; I277-F303 HydrophobicContact CD1-CD1 4.11Å; I277-F303 HydrophobicContact CD1-CE1 3.96Å; I277-A323 CarbonylContact O-C 3.5Å; I277-A323 WeakPolarHBondContact O-CA 3.39Å; I277-A323 WeakPolarHBondContact O-CB 3.44Å; I277-G324 PolarHBondContact N-O 3.31Å; I277-G324 PolarHBondContact O-N 3.01Å; I277-L328 HydrophobicContact CD1-CD1 4.12Å; I277-I334 HydrophobicContact CD1-CD1 3.78Å; I277-I334 HydrophobicContact CD1-CG1 4.17Å; I277-I334 HydrophobicContact CG1-CD1 4.04Å; I277-I334 HydrophobicContact CG2-CG2 4.01Å; I277-L354 HydrophobicContact CG2-CD1 4.49Å |
| 278 | Y | 98.7 | Very high | 92.5 | Very high | 33 Ų | 33 | 33.6 Ų | 33.6 | 13% | 0.129 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 149.5 | 178.1 | 65 | -87.9 | 0 | 0 | 0 | 110.5 | H226 F276 Y321 T322 F353 G355 | H226-Y278 AromaticContact ND1-CE2 3.79Å; H226-Y278 AromaticContact ND1-CZ 3.82Å; H226-Y278 PolarHBondContact ND1-OH 3.07Å; F276-Y278 AromaticContact CD1-CD1 3.91Å; F276-Y278 HydrophobicContact CD1-CD1 3.91Å; F276-Y278 AromaticContact CE1-CD1 3.64Å; F276-Y278 HydrophobicContact CE1-CD1 3.64Å; F276-Y278 HydrophobicContact CE1-CG 4.21Å; Y278-Y321 HydrophobicContact CD2-CE2 4.48Å; Y278-T322 WeakPolarHBondContact CA-O 3.33Å; Y278-F353 HydrophobicContact CD2-CD2 4.1Å; Y278-F353 AromaticContact CD2-CE2 3.99Å; Y278-F353 HydrophobicContact CD2-CE2 3.99Å; Y278-F353 HydrophobicContact CE2-CD2 4.01Å; Y278-F353 HydrophobicContact CE2-CE2 4.16Å; Y278-G355 PolarHBondContact N-O 3.08Å; Y278-G355 PolarHBondContact O-N 3.31Å |
| 279 | S | 98.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 151.3 | 179.3 | 57.3 | 0 | 0 | 0 | 0 | 111.4 | Y294 V296 Y321 T322 F353 | S279-Y294 PolarHBondContact O-OH 2.93Å; S279-Y294 VanDerWaalsContact O-OH 3.07Å; S279-Y294 VanDerWaalsContact OG-CE2 3.31Å; S279-Y294 WeakPolarHBondContact OG-CE2 3.27Å; S279-Y294 PolarHBondContact OG-OH 2.9Å; S279-Y294 VanDerWaalsContact OG-OH 3.11Å; S279-V296 WeakPolarHBondContact OG-CG2 3.3Å; S279-Y321 WeakPolarHBondContact O-CA 3.13Å; S279-Y321 WeakPolarHBondContact O-CD2 3.21Å; S279-T322 PolarHBondContact N-O 2.94Å; S279-T322 PolarHBondContact O-N 2.73Å; S279-F353 WeakPolarHBondContact CA-O 3.3Å |
| 280 | Q | 98.3 | Very high | 91 | Very high | 32 Ų | 32 | 38.7 Ų | 38.7 | 15% | 0.15 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 139.7 | 166.6 | -166 | 174.4 | -82.2 | 0 | 0 | 109.2 | T319 C320 Y321 T351 T352 F353 | Q280-T319 HydrophobicContact CG-CG2 4.43Å; Q280-C320 WeakPolarHBondContact CA-O 3.47Å; Q280-Y321 HydrophobicContact CB-CD2 4.08Å; Q280-Y321 HydrophobicContact CG-CD2 4.49Å; Q280-T351 WeakPolarHBondContact CG-O 3.13Å; Q280-T351 PolarHBondContact NE2-O 3.25Å; Q280-T352 CarbonylContact O-C 3.56Å; Q280-T352 VanDerWaalsContact O-CA 3.31Å; Q280-T352 WeakPolarHBondContact O-CA 3.29Å; Q280-F353 HydrophobicContact CB-CD1 4.04Å; Q280-F353 HydrophobicContact CB-CD2 3.95Å; Q280-F353 HydrophobicContact CB-CE1 3.58Å; Q280-F353 HydrophobicContact CB-CE2 3.47Å; Q280-F353 VanDerWaalsContact CB-CE2 3.47Å; Q280-F353 HydrophobicContact CB-CG 4.22Å; Q280-F353 HydrophobicContact CB-CZ 3.27Å; Q280-F353 HydrophobicContact CG-CE1 4.2Å; Q280-F353 HydrophobicContact CG-CZ 4.07Å; Q280-F353 PolarHBondContact N-O 2.94Å; Q280-F353 PolarHBondContact O-N 3.45Å; Q280-F353 VanDerWaalsContact O-O 3.14Å |
| 281 | V | 97.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 128.9 | 173.7 | -176.8 | 0 | 0 | 0 | 0 | 108.6 | L245 Y294 C320 I336 I338 I345 T352 | L245-V281 HydrophobicContact CD1-CG1 4.24Å; L245-V281 HydrophobicContact CD1-CG2 3.85Å; V281-Y294 HydrophobicContact CB-CD1 3.76Å; V281-Y294 HydrophobicContact CB-CE1 3.61Å; V281-Y294 HydrophobicContact CG2-CD1 3.68Å; V281-Y294 HydrophobicContact CG2-CD2 4.34Å; V281-Y294 HydrophobicContact CG2-CE1 3.55Å; V281-Y294 HydrophobicContact CG2-CE2 4.26Å; V281-Y294 HydrophobicContact CG2-CG 4.07Å; V281-C320 PolarHBondContact N-O 2.97Å; V281-C320 VanDerWaalsContact N-O 3.08Å; V281-C320 PolarHBondContact O-N 2.85Å; V281-I336 HydrophobicContact CG2-CD1 4.15Å; V281-I336 HydrophobicContact CG2-CG2 4.05Å; V281-I338 HydrophobicContact CG1-CD1 4.23Å; V281-I345 HydrophobicContact CG1-CD1 3.75Å; V281-I345 HydrophobicContact CG1-CG1 4.38Å; V281-I345 HydrophobicContact CG1-CG2 3.56Å; V281-T352 HydrophobicContact CG1-CG2 4.48Å |
| 282 | E | 94.9 | Very high | 90.3 | Very high | 19 Ų | 19 | 37.3 Ų | 37.3 | 9% | 0.089 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 114.6 | 171.3 | -172.6 | 176.6 | -133.6 | 0 | 0 | 110.6 | F317 N318 T319 N346 T351 T352 | E282-F317 HydrophobicContact CG-CD1 4.48Å; E282-N318 WeakPolarHBondContact CA-O 3.45Å; E282-T319 HydrophobicContact CB-CG2 4.09Å; E282-T319 HydrophobicContact CG-CG2 4.18Å; E282-N346 HydrophobicContact CB-CB 4.28Å; E282-N346 HydrophobicContact CG-CB 4.17Å; E282-N346 PolarHBondContact O-N 3.27Å; E282-N346 VanDerWaalsContact OE2-CB 3.31Å; E282-N346 WeakPolarHBondContact OE2-CB 3.45Å; E282-N346 VanDerWaalsContact OE2-CG 3.29Å; E282-N346 PolarHBondContact OE2-ND2 3.01Å; E282-T351 WeakPolarHBondContact CB-OG1 3.49Å; E282-T351 VanDerWaalsContact CD-CB 3.45Å; E282-T351 VanDerWaalsContact CD-OG1 3.27Å; E282-T351 VanDerWaalsContact OE2-CB 3.23Å; E282-T351 WeakPolarHBondContact OE2-CB 3.41Å; E282-T351 PolarHBondContact OE2-OG1 3.37Å; E282-T352 PolarHBondContact N-OG1 2.98Å |
| 283 | V | 91.8 | Very high | 90.2 | Very high | 5 Ų | 5 | 33.9 Ų | 33.9 | 3% | 0.03 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 124.2 | 174.4 | -179.4 | 0 | 0 | 0 | 0 | 107.6 | L286 A292 I310 N318 T343 I345 | V283-L286 HydrophobicContact CG1-CD1 3.29Å; V283-A292 HydrophobicContact CB-CB 4.33Å; V283-A292 HydrophobicContact CG1-CB 3.92Å; V283-A292 HydrophobicContact CG2-CB 3.89Å; V283-I310 HydrophobicContact CG1-CD1 4.04Å; V283-N318 PolarHBondContact N-O 3.05Å; V283-N318 PolarHBondContact O-N 2.97Å; V283-T343 HydrophobicContact CG1-CG2 3.9Å; V283-I345 HydrophobicContact CG2-CD1 4.07Å |
| 284 | Y | 82.7 | Confident | 90.3 | Very high | 40 Ų | 40 | 34 Ų | 34 | 16% | 0.157 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | -36.5 | -178.3 | 174.8 | -124 | 0 | 0 | 0 | 112.5 | R315 K316 F317 L344 | Y284-R315 HydrophobicContact CE1-CG 4.14Å; Y284-R315 HydrophobicContact CE2-CB 4.02Å; Y284-R315 HydrophobicContact CE2-CG 4.21Å; Y284-R315 VanDerWaalsContact OH-CD 3.22Å; Y284-R315 WeakPolarHBondContact OH-CD 3.24Å; Y284-R315 PolarHBondContact OH-NH1 2.8Å; Y284-K316 CarbonylContact C-O 3.6Å; Y284-K316 PolarHBondContact O-N 2.88Å; Y284-K316 VanDerWaalsContact O-N 3.12Å; Y284-K316 VanDerWaalsContact O-O 3.11Å; Y284-F317 AromaticContact CD2-CD1 3.75Å; Y284-F317 HydrophobicContact CD2-CD1 3.75Å; Y284-F317 AromaticContact CD2-CE1 3.28Å; Y284-F317 HydrophobicContact CD2-CE1 3.28Å; Y284-F317 HydrophobicContact CD2-CE2 4.11Å; Y284-F317 HydrophobicContact CD2-CG 4.35Å; Y284-F317 AromaticContact CD2-CZ 3.51Å; Y284-F317 HydrophobicContact CD2-CZ 3.51Å; Y284-F317 HydrophobicContact CE2-CD1 4.36Å; Y284-F317 AromaticContact CE2-CE1 3.56Å; Y284-F317 HydrophobicContact CE2-CE1 3.56Å; Y284-F317 AromaticContact CE2-CE2 3.82Å; Y284-F317 HydrophobicContact CE2-CE2 3.82Å; Y284-F317 AromaticContact CE2-CZ 3.25Å; Y284-F317 HydrophobicContact CE2-CZ 3.25Å; Y284-F317 HydrophobicContact CG-CE1 4.37Å; Y284-L344 HydrophobicContact CD1-CB 4.28Å; Y284-L344 HydrophobicContact CD1-CD1 4.29Å; Y284-L344 PolarHBondContact N-O 2.93Å |
| 285 | Y | 82.2 | Confident | 90.4 | Very high | 59 Ų | 59 | 33.3 Ų | 33.3 | 23% | 0.231 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162 | 138.8 | -173.7 | -179.8 | -97.7 | 0 | 0 | 0 | 110 | N287 R315 L344 | Y285-N287 HydrophobicContact CE1-CB 4.02Å; Y285-R315 HydrophobicContact CD2-CG 4.08Å; Y285-L344 HydrophobicContact CD1-CD1 3.89Å; Y285-L344 HydrophobicContact CD1-CG 4.1Å; Y285-L344 HydrophobicContact CG-CD1 4.25Å; Y285-L344 PolarHBondContact O-N 3.32Å |
| 286 | L | 78.9 | Confident | 90.4 | Very high | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 148.3 | 158.9 | -87 | 87.4 | 0 | 0 | 0 | 110.5 | V283 T289 I291 A292 I310 H340 T343 | V283-L286 HydrophobicContact CG1-CD1 3.29Å; L286-T289 WeakPolarHBondContact CD2-OG1 3.44Å; L286-I291 VanDerWaalsContact CD2-O 3.27Å; L286-I291 WeakPolarHBondContact CD2-O 3.14Å; L286-A292 HydrophobicContact CD1-CB 3.46Å; L286-A292 VanDerWaalsContact CD1-CB 3.46Å; L286-A292 HydrophobicContact CD2-CB 4.45Å; L286-I310 HydrophobicContact CB-CD1 3.84Å; L286-I310 HydrophobicContact CD1-CD1 3.32Å; L286-I310 HydrophobicContact CD1-CG1 4.19Å; L286-I310 HydrophobicContact CG-CD1 4.15Å; L286-H340 HydrophobicContact CD2-CB 4.13Å; L286-T343 HydrophobicContact CD1-CG2 3.58Å; L286-T343 WeakPolarHBondContact CD2-OG1 3.29Å; L286-T343 HydrophobicContact CG-CG2 3.96Å; L286-T343 VanDerWaalsContact CG-OG1 3.29Å; L286-T343 WeakPolarHBondContact CG-OG1 3.41Å |
| 287 | N | 72.2 | Confident | 90.4 | Very high | 60 Ų | 60 | 30.4 Ų | 30.4 | 32% | 0.321 | 15% | 0.147 | S | C | . | . | S | Bend | trans | -104.1 | 146.7 | 163.9 | -155.6 | -2 | 0 | 0 | 0 | 110.1 | Y285 T289 Y342 | Y285-N287 HydrophobicContact CE1-CB 4.02Å; N287-T289 PolarHBondContact O-N 3.44Å; N287-Y342 PolarHBondContact N-O 2.87Å |
| 288 | F | 75.2 | Confident | 90.4 | Very high | 149 Ų | 149 | 31.1 Ų | 31.1 | 65% | 0.654 | 15% | 0.152 | S | C | * | . | S | Bend | trans | 67.9 | -9.2 | 172 | -44.3 | -72 | 0 | 0 | 0 | 118.7 | Y342 | F288-Y342 HydrophobicContact CD2-CD2 4.12Å; F288-Y342 HydrophobicContact CD2-CG 4.07Å; F288-Y342 HydrophobicContact CE2-CD1 4.32Å; F288-Y342 HydrophobicContact CE2-CG 4.23Å |
| 289 | T | 80.8 | Confident | 90.3 | Very high | 43 Ų | 43 | 32.7 Ų | 32.7 | 26% | 0.264 | 16% | 0.162 | S | C | . | . | trans | -139.5 | 146.3 | 173.9 | 69.2 | 0 | 0 | 0 | 0 | 112.2 | L286 N287 I291 T312 | L286-T289 WeakPolarHBondContact CD2-OG1 3.44Å; N287-T289 PolarHBondContact O-N 3.44Å; T289-I291 VanDerWaalsContact C-N 3.28Å; T289-I291 PolarHBondContact OG1-O 2.89Å; T289-I291 VanDerWaalsContact OG1-O 3.07Å; T289-T312 WeakPolarHBondContact O-CG2 3.33Å | ||
| 290 | D | 84.1 | Confident | 90 | Very high | 86 Ų | 86 | 37.3 Ų | 37.3 | 46% | 0.46 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -92.2 | 11.7 | 174.9 | 65 | -30.8 | 0 | 0 | 0 | 112.6 | S309 I310 T312 | D290-S309 CarbonylContact O-C 3.59Å; D290-S309 WeakPolarHBondContact O-CA 3.5Å; D290-S309 PolarHBondContact O-OG 3.46Å; D290-I310 CarbonylContact C-O 2.96Å; D290-I310 WeakPolarHBondContact CA-O 3.07Å; D290-I310 WeakPolarHBondContact CB-O 3.11Å; D290-I310 PolarHBondContact O-N 3Å; D290-T312 HydrophobicContact CB-CG2 4.06Å |
| 291 | I | 87.6 | Confident | 89.9 | Confident | 74 Ų | 74 | 39.6 Ų | 39.6 | 38% | 0.379 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 122.2 | -179.2 | -60.1 | 175.2 | 0 | 0 | 0 | 108.1 | L286 T289 T307 H340 | L286-I291 VanDerWaalsContact CD2-O 3.27Å; L286-I291 WeakPolarHBondContact CD2-O 3.14Å; T289-I291 VanDerWaalsContact C-N 3.28Å; T289-I291 PolarHBondContact OG1-O 2.89Å; T289-I291 VanDerWaalsContact OG1-O 3.07Å; I291-T307 HydrophobicContact CG2-CG2 3.37Å; I291-H340 PolarHBondContact O-CD2 3.17Å; I291-H340 VanDerWaalsContact O-CD2 3.28Å; I291-H340 PolarHBondContact O-NE2 3.27Å |
| 292 | A | 89.8 | Confident | 89.9 | Confident | 2 Ų | 2 | 43.4 Ų | 43.4 | 2% | 0.017 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 131.3 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | V283 L286 T307 C308 I310 | V283-A292 HydrophobicContact CB-CB 4.33Å; V283-A292 HydrophobicContact CG1-CB 3.92Å; V283-A292 HydrophobicContact CG2-CB 3.89Å; L286-A292 HydrophobicContact CD1-CB 3.46Å; L286-A292 VanDerWaalsContact CD1-CB 3.46Å; L286-A292 HydrophobicContact CD2-CB 4.45Å; A292-T307 CarbonylContact O-C 3.55Å; A292-T307 WeakPolarHBondContact O-CA 3.17Å; A292-C308 PolarHBondContact N-O 2.98Å; A292-C308 PolarHBondContact O-N 2.97Å; A292-I310 HydrophobicContact CB-CG2 4.43Å |
| 293 | S | 94.8 | Very high | 90.1 | Very high | 12 Ų | 12 | 45.7 Ų | 45.7 | 8% | 0.084 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 147.6 | 178.8 | -171.7 | 0 | 0 | 0 | 0 | 111.7 | R305 C306 T307 A339 | S293-R305 WeakPolarHBondContact OG-CG 3.47Å; S293-C306 WeakPolarHBondContact CA-O 3.48Å; S293-C306 WeakPolarHBondContact CB-O 3.12Å; S293-C306 PolarHBondContact OG-O 3.46Å; S293-T307 PolarHBondContact OG-OG1 3.22Å; S293-A339 VanDerWaalsContact O-CB 3.29Å; S293-A339 WeakPolarHBondContact O-CB 3.23Å; S293-A339 PolarHBondContact O-N 3.38Å |
| 294 | Y | 97.4 | Very high | 90.4 | Very high | 3 Ų | 3 | 46.8 Ų | 46.8 | 1% | 0.012 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 155.1 | 167.6 | 72.9 | -100.2 | 0 | 0 | 0 | 110.4 | S279 V281 V296 R305 C306 C320 T322 I336 R337 | S279-Y294 PolarHBondContact O-OH 2.93Å; S279-Y294 VanDerWaalsContact O-OH 3.07Å; S279-Y294 VanDerWaalsContact OG-CE2 3.31Å; S279-Y294 WeakPolarHBondContact OG-CE2 3.27Å; S279-Y294 PolarHBondContact OG-OH 2.9Å; S279-Y294 VanDerWaalsContact OG-OH 3.11Å; V281-Y294 HydrophobicContact CB-CD1 3.76Å; V281-Y294 HydrophobicContact CB-CE1 3.61Å; V281-Y294 HydrophobicContact CG2-CD1 3.68Å; V281-Y294 HydrophobicContact CG2-CD2 4.34Å; V281-Y294 HydrophobicContact CG2-CE1 3.55Å; V281-Y294 HydrophobicContact CG2-CE2 4.26Å; V281-Y294 HydrophobicContact CG2-CG 4.07Å; Y294-V296 HydrophobicContact CE2-CG2 4.08Å; Y294-R305 WeakPolarHBondContact O-CA 3.26Å; Y294-C306 HydrophobicContact CD1-CB 3.99Å; Y294-C306 HydrophobicContact CD2-CB 4.5Å; Y294-C306 HydrophobicContact CE1-CB 3.49Å; Y294-C306 VanDerWaalsContact CE1-CB 3.49Å; Y294-C306 HydrophobicContact CE2-CB 4.03Å; Y294-C306 HydrophobicContact CG-CB 4.48Å; Y294-C306 PolarHBondContact N-O 2.92Å; Y294-C306 VanDerWaalsContact N-O 3.07Å; Y294-C306 PolarHBondContact O-N 2.66Å; Y294-C320 HydrophobicContact CD1-CB 4.47Å; Y294-C320 HydrophobicContact CE1-CB 3.87Å; Y294-C320 WeakPolarHBondContact CE1-O 3.44Å; Y294-C320 PolarHBondContact OH-O 3.23Å; Y294-T322 HydrophobicContact CE2-CG2 4.01Å; Y294-I336 HydrophobicContact CD2-CG2 3.65Å; Y294-I336 HydrophobicContact CE2-CG2 4.33Å; Y294-I336 HydrophobicContact CG-CG2 4.04Å; Y294-R337 CarbonylContact C-O 3.52Å; Y294-R337 VanDerWaalsContact CA-O 3.28Å; Y294-R337 WeakPolarHBondContact CA-O 3.35Å; Y294-R337 WeakPolarHBondContact CB-O 3.42Å |
| 295 | D | 98.3 | Very high | 91.1 | Very high | 15 Ų | 15 | 52 Ų | 52 | 8% | 0.08 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 134.6 | 175.5 | -68.9 | -44.2 | 0 | 0 | 0 | 110.8 | M297 P302 L304 R305 I336 R337 | D295-M297 HydrophobicContact CB-SD 3.53Å; D295-M297 VanDerWaalsContact CB-SD 3.53Å; D295-P302 HydrophobicContact CB-CB 4.22Å; D295-L304 CarbonylContact C-O 3.6Å; D295-L304 VanDerWaalsContact CA-O 3.29Å; D295-L304 WeakPolarHBondContact CA-O 3.3Å; D295-R305 WeakPolarHBondContact OD1-CB 3.22Å; D295-R305 WeakPolarHBondContact OD1-CG 3.46Å; D295-R305 IonicContact OD1-CZ 3.94Å; D295-R305 IonicContact OD1-NE 3.93Å; D295-R305 PolarHBondContact OD1-NE 2.9Å; D295-R305 IonicContact OD1-NH2 3.14Å; D295-R305 PolarHBondContact OD1-NH2 3.43Å; D295-R305 IonicContact OD2-CZ 2.69Å; D295-R305 IonicContact OD2-NE 2.57Å; D295-R305 IonicContact OD2-NH2 3.66Å; D295-R305 PolarHBondContact OD2-NH2 2.98Å; D295-I336 CarbonylContact O-C 3.58Å; D295-I336 WeakPolarHBondContact O-CA 3.31Å; D295-R337 PolarHBondContact N-O 2.72Å; D295-R337 PolarHBondContact O-N 3.13Å |
| 296 | V | 98.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 112.5 | 159.4 | -176 | 0 | 0 | 0 | 0 | 106.6 | I277 S279 Y294 F303 L304 T322 I334 S335 | I277-V296 HydrophobicContact CG2-CG1 3.9Å; S279-V296 WeakPolarHBondContact OG-CG2 3.3Å; Y294-V296 HydrophobicContact CE2-CG2 4.08Å; V296-F303 WeakPolarHBondContact O-CB 3.36Å; V296-F303 PolarHBondContact O-N 2.75Å; V296-L304 HydrophobicContact CB-CB 4.01Å; V296-L304 HydrophobicContact CB-CD1 4.48Å; V296-L304 HydrophobicContact CG2-CB 4.09Å; V296-L304 HydrophobicContact CG2-CD1 4.38Å; V296-L304 PolarHBondContact N-O 2.98Å; V296-L304 PolarHBondContact O-N 2.84Å; V296-T322 HydrophobicContact CG2-CG2 3.95Å; V296-I334 HydrophobicContact CG1-CG2 3.97Å; V296-S335 CarbonylContact C-O 3.58Å |
| 297 | M | 98.4 | Very high | 92.7 | Very high | 5 Ų | 5 | 53.7 Ų | 53.7 | 3% | 0.025 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 137.2 | -178.9 | -51.7 | -60.6 | -65.7 | 0 | 0 | 110 | D295 S300 S301 P302 I334 S335 R337 | D295-M297 HydrophobicContact CB-SD 3.53Å; D295-M297 VanDerWaalsContact CB-SD 3.53Å; M297-S300 VanDerWaalsContact CE-O 3.25Å; M297-S300 WeakPolarHBondContact CE-O 3.17Å; M297-S301 WeakPolarHBondContact CA-O 3.34Å; M297-P302 HydrophobicContact CE-CB 4.38Å; M297-P302 HydrophobicContact SD-CB 4.06Å; M297-I334 VanDerWaalsContact O-CA 3.31Å; M297-I334 WeakPolarHBondContact O-CA 3.28Å; M297-S335 PolarHBondContact N-O 2.93Å; M297-S335 PolarHBondContact O-N 3.14Å; M297-R337 HydrophobicContact CG-CB 3.74Å; M297-R337 HydrophobicContact SD-CB 4.11Å |
| 298 | V | 98.2 | Very high | 93.5 | Very high | 16 Ų | 16 | 52 Ų | 52 | 10% | 0.097 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 116.5 | 161 | 176.8 | 0 | 0 | 0 | 0 | 107.2 | I277 S300 S301 F303 L328 K333 | I277-V298 HydrophobicContact CD1-CG2 4.49Å; V298-S300 PolarHBondContact O-N 3.36Å; V298-S300 VanDerWaalsContact O-N 3.1Å; V298-S301 PolarHBondContact N-O 2.57Å; V298-S301 PolarHBondContact O-N 3.48Å; V298-F303 HydrophobicContact CB-CB 4.42Å; V298-F303 HydrophobicContact CG2-CB 3.76Å; V298-F303 HydrophobicContact CG2-CD1 4.16Å; V298-F303 HydrophobicContact CG2-CG 4.1Å; V298-L328 HydrophobicContact CB-CD2 4.48Å; V298-L328 HydrophobicContact CG1-CD2 3.52Å; V298-L328 HydrophobicContact CG2-CD2 4.09Å; V298-K333 CarbonylContact C-O 3.47Å; V298-K333 WeakPolarHBondContact CA-O 3.36Å |
| 299 | D | 95.9 | Very high | 94.1 | Very high | 65 Ų | 65 | 49.2 Ų | 49.2 | 35% | 0.348 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.5 | -108.3 | -164.6 | -57.7 | -42.4 | 0 | 0 | 0 | 111 | Q332 K333 | D299-Q332 WeakPolarHBondContact OD1-CA 3.17Å; D299-Q332 WeakPolarHBondContact OD2-CG 3.31Å; D299-Q332 PolarHBondContact OD2-NE2 2.76Å; D299-K333 PolarHBondContact N-O 2.66Å; D299-K333 PolarHBondContact OD1-N 2.58Å |
| 300 | S | 92.8 | Very high | 94.2 | Very high | 98 Ų | 98 | 47.5 Ų | 47.5 | 69% | 0.685 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.6 | 3.3 | 177 | -61.1 | 0 | 0 | 0 | 0 | 113.4 | M297 V298 | M297-S300 VanDerWaalsContact CE-O 3.25Å; M297-S300 WeakPolarHBondContact CE-O 3.17Å; V298-S300 PolarHBondContact O-N 3.36Å; V298-S300 VanDerWaalsContact O-N 3.1Å |
| 301 | S | 96.3 | Very high | 93.8 | Very high | 80 Ų | 80 | 48.8 Ų | 48.8 | 56% | 0.559 | 28% | 0.275 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 131.8 | -175.3 | -62.1 | 0 | 0 | 0 | 0 | 111 | M297 V298 F303 | M297-S301 WeakPolarHBondContact CA-O 3.34Å; V298-S301 PolarHBondContact N-O 2.57Å; V298-S301 PolarHBondContact O-N 3.48Å; S301-F303 PolarHBondContact O-N 3.27Å |
| 302 | P | 97.6 | Very high | 93.2 | Very high | 80 Ų | 80 | 48.6 Ų | 48.6 | 52% | 0.519 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 128 | 174.1 | 28 | -32.6 | 0 | 0 | 0 | 109.7 | D295 M297 | D295-P302 HydrophobicContact CB-CB 4.22Å; M297-P302 HydrophobicContact CE-CB 4.38Å; M297-P302 HydrophobicContact SD-CB 4.06Å |
| 303 | F | 98.3 | Very high | 92.3 | Very high | 66 Ų | 66 | 50.5 Ų | 50.5 | 29% | 0.289 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | -50 | 178.7 | 166.4 | -126.6 | 0 | 0 | 0 | 111.7 | I277 V296 V298 S301 | I277-F303 HydrophobicContact CB-CE1 4.45Å; I277-F303 HydrophobicContact CD1-CD1 4.11Å; I277-F303 HydrophobicContact CD1-CE1 3.96Å; V296-F303 WeakPolarHBondContact O-CB 3.36Å; V296-F303 PolarHBondContact O-N 2.75Å; V298-F303 HydrophobicContact CB-CB 4.42Å; V298-F303 HydrophobicContact CG2-CB 3.76Å; V298-F303 HydrophobicContact CG2-CD1 4.16Å; V298-F303 HydrophobicContact CG2-CG 4.1Å; S301-F303 PolarHBondContact O-N 3.27Å |
| 304 | L | 98.4 | Very high | 91.3 | Very high | 29 Ų | 29 | 55.5 Ų | 55.5 | 15% | 0.152 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 149 | 175 | -57.6 | 165.7 | 0 | 0 | 0 | 109.2 | D295 V296 T322 A323 | D295-L304 CarbonylContact C-O 3.6Å; D295-L304 VanDerWaalsContact CA-O 3.29Å; D295-L304 WeakPolarHBondContact CA-O 3.3Å; V296-L304 HydrophobicContact CB-CB 4.01Å; V296-L304 HydrophobicContact CB-CD1 4.48Å; V296-L304 HydrophobicContact CG2-CB 4.09Å; V296-L304 HydrophobicContact CG2-CD1 4.38Å; V296-L304 PolarHBondContact N-O 2.98Å; V296-L304 PolarHBondContact O-N 2.84Å; L304-T322 HydrophobicContact CB-CG2 3.91Å; L304-T322 HydrophobicContact CD1-CG2 4.34Å; L304-A323 VanDerWaalsContact CD1-C 3.47Å |
| 305 | R | 98.2 | Very high | 90.2 | Very high | 149 Ų | 149 | 63.5 Ų | 63.5 | 56% | 0.562 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 136.9 | 171.5 | -178.7 | 165.3 | -70.6 | 167.7 | -2 | 109.7 | S293 Y294 D295 | S293-R305 WeakPolarHBondContact OG-CG 3.47Å; Y294-R305 WeakPolarHBondContact O-CA 3.26Å; D295-R305 WeakPolarHBondContact OD1-CB 3.22Å; D295-R305 WeakPolarHBondContact OD1-CG 3.46Å; D295-R305 IonicContact OD1-CZ 3.94Å; D295-R305 IonicContact OD1-NE 3.93Å; D295-R305 PolarHBondContact OD1-NE 2.9Å; D295-R305 IonicContact OD1-NH2 3.14Å; D295-R305 PolarHBondContact OD1-NH2 3.43Å; D295-R305 IonicContact OD2-CZ 2.69Å; D295-R305 IonicContact OD2-NE 2.57Å; D295-R305 IonicContact OD2-NH2 3.66Å; D295-R305 PolarHBondContact OD2-NH2 2.98Å |
| 306 | C | 97.9 | Very high | 89.2 | Confident | 12 Ų | 12 | 66.9 Ų | 66.9 | 8% | 0.081 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 134.6 | 164.3 | -161 | 0 | 0 | 0 | 0 | 108.4 | S293 Y294 C320 Y321 T322 | S293-C306 WeakPolarHBondContact CA-O 3.48Å; S293-C306 WeakPolarHBondContact CB-O 3.12Å; S293-C306 PolarHBondContact OG-O 3.46Å; Y294-C306 HydrophobicContact CD1-CB 3.99Å; Y294-C306 HydrophobicContact CD2-CB 4.5Å; Y294-C306 HydrophobicContact CE1-CB 3.49Å; Y294-C306 VanDerWaalsContact CE1-CB 3.49Å; Y294-C306 HydrophobicContact CE2-CB 4.03Å; Y294-C306 HydrophobicContact CG-CB 4.48Å; Y294-C306 PolarHBondContact N-O 2.92Å; Y294-C306 VanDerWaalsContact N-O 3.07Å; Y294-C306 PolarHBondContact O-N 2.66Å; C306-C320 VanDerWaalsContact C-SG 3.53Å; C306-C320 HydrophobicContact CB-CB 4.1Å; C306-C320 WeakPolarHBondContact CB-SG 3.47Å; C306-C320 WeakPolarHBondContact SG-CA 3.45Å; C306-C320 WeakPolarHBondContact SG-CB 3.46Å; C306-C320 CovalentContact SG-SG 2.03Å; C306-C320 PolarHBondContact SG-SG 2.71Å; C306-Y321 PolarHBondContact SG-N 3.38Å; C306-Y321 VanDerWaalsContact SG-N 3.37Å; C306-Y321 PolarHBondContact SG-O 3.37Å; C306-Y321 VanDerWaalsContact SG-O 3.37Å; C306-T322 HydrophobicContact CB-CG2 4.1Å |
| 307 | T | 95.1 | Very high | 88.5 | Confident | 83 Ų | 83 | 72.6 Ų | 72.6 | 51% | 0.509 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 126 | 177.2 | -52.3 | 0 | 0 | 0 | 0 | 108.5 | I291 A292 S293 C320 | I291-T307 HydrophobicContact CG2-CG2 3.37Å; A292-T307 CarbonylContact O-C 3.55Å; A292-T307 WeakPolarHBondContact O-CA 3.17Å; S293-T307 PolarHBondContact OG-OG1 3.22Å; T307-C320 PolarHBondContact N-SG 3.29Å |
| 308 | C | 90.3 | Very high | 88.1 | Confident | 26 Ų | 26 | 74.9 Ų | 74.9 | 18% | 0.176 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 144.3 | 172.6 | 57.2 | 0 | 0 | 0 | 0 | 110 | A292 C320 | A292-C308 PolarHBondContact N-O 2.98Å; A292-C308 PolarHBondContact O-N 2.97Å; C308-C320 HydrophobicContact CB-CB 4.47Å |
| 309 | S | 88.1 | Confident | 87.9 | Confident | 89 Ų | 89 | 77.7 Ų | 77.7 | 62% | 0.622 | 42% | 0.417 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 135.7 | 171.7 | -179.8 | 0 | 0 | 0 | 0 | 109.3 | D290 | D290-S309 CarbonylContact O-C 3.59Å; D290-S309 WeakPolarHBondContact O-CA 3.5Å; D290-S309 PolarHBondContact O-OG 3.46Å |
| 310 | I | 81.3 | Confident | 87.9 | Confident | 7 Ų | 7 | 75 Ų | 75 | 4% | 0.036 | 40% | 0.403 | C | S | . | . | trans | -133.8 | 149.8 | 177.6 | 72.9 | 163.1 | 0 | 0 | 0 | 110.5 | V283 L286 D290 A292 T312 N318 | V283-I310 HydrophobicContact CG1-CD1 4.04Å; L286-I310 HydrophobicContact CB-CD1 3.84Å; L286-I310 HydrophobicContact CD1-CD1 3.32Å; L286-I310 HydrophobicContact CD1-CG1 4.19Å; L286-I310 HydrophobicContact CG-CD1 4.15Å; D290-I310 CarbonylContact C-O 2.96Å; D290-I310 WeakPolarHBondContact CA-O 3.07Å; D290-I310 WeakPolarHBondContact CB-O 3.11Å; D290-I310 PolarHBondContact O-N 3Å; A292-I310 HydrophobicContact CB-CG2 4.43Å; I310-T312 PolarHBondContact O-N 3.28Å; I310-N318 HydrophobicContact CG2-CB 4.06Å; I310-N318 WeakPolarHBondContact CG2-ND2 3.09Å | ||
| 311 | E | 77.7 | Confident | 88.1 | Confident | 114 Ų | 114 | 75.9 Ų | 75.9 | 53% | 0.533 | 39% | 0.393 | S | S | . | . | trans | -76.1 | 123.4 | 176.8 | -169.1 | 173.8 | 177.2 | 0 | 0 | 110.6 | K316 | E311-K316 HydrophobicContact CB-CD 4.2Å; E311-K316 VanDerWaalsContact OE2-CE 3.28Å; E311-K316 WeakPolarHBondContact OE2-CE 3.46Å; E311-K316 IonicContact OE2-NZ 3.63Å; E311-K316 PolarHBondContact OE2-NZ 3.23Å | ||
| 312 | T | 74.8 | Confident | 88.2 | Confident | 70 Ų | 70 | 73.2 Ų | 73.2 | 43% | 0.429 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | 144.6 | -178.5 | 48.2 | 0 | 0 | 0 | 0 | 112.8 | T289 D290 I310 Q314 | T289-T312 WeakPolarHBondContact O-CG2 3.33Å; D290-T312 HydrophobicContact CB-CG2 4.06Å; I310-T312 PolarHBondContact O-N 3.28Å; T312-Q314 PolarHBondContact O-N 2.92Å |
| 313 | G | 69.7 | Low | 88.3 | Confident | 42 Ų | 42 | 71 Ų | 71 | 43% | 0.433 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.6 | -3.9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 314 | Q | 73.8 | Confident | 88.3 | Confident | 116 Ų | 116 | 68.6 Ų | 68.6 | 54% | 0.542 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -111.1 | 145.3 | 172.2 | -67.3 | -63.4 | -42.3 | 0 | 0 | 110.6 | T312 K316 | T312-Q314 PolarHBondContact O-N 2.92Å; Q314-K316 HydrophobicContact CB-CG 4.38Å; Q314-K316 PolarHBondContact O-N 2.8Å |
| 315 | R | 74 | Confident | 88.3 | Confident | 172 Ų | 172 | 71.1 Ų | 71.1 | 65% | 0.649 | 37% | 0.371 | S | S | * | . | trans | -77.3 | 107.2 | 171.7 | -73.9 | 166.9 | 172.8 | -151.3 | 12.8 | 108.2 | Y284 Y285 | Y284-R315 HydrophobicContact CE1-CG 4.14Å; Y284-R315 HydrophobicContact CE2-CB 4.02Å; Y284-R315 HydrophobicContact CE2-CG 4.21Å; Y284-R315 VanDerWaalsContact OH-CD 3.22Å; Y284-R315 WeakPolarHBondContact OH-CD 3.24Å; Y284-R315 PolarHBondContact OH-NH1 2.8Å; Y285-R315 HydrophobicContact CD2-CG 4.08Å | ||
| 316 | K | 78.8 | Confident | 88.2 | Confident | 85 Ų | 85 | 65.3 Ų | 65.3 | 37% | 0.37 | 35% | 0.354 | S | S | . | . | trans | -131.6 | 125.4 | 178.4 | -70.4 | -164.3 | 180 | -175.4 | 0 | 109.8 | Y284 E311 Q314 N318 | Y284-K316 CarbonylContact C-O 3.6Å; Y284-K316 PolarHBondContact O-N 2.88Å; Y284-K316 VanDerWaalsContact O-N 3.12Å; Y284-K316 VanDerWaalsContact O-O 3.11Å; E311-K316 HydrophobicContact CB-CD 4.2Å; E311-K316 VanDerWaalsContact OE2-CE 3.28Å; E311-K316 WeakPolarHBondContact OE2-CE 3.46Å; E311-K316 IonicContact OE2-NZ 3.63Å; E311-K316 PolarHBondContact OE2-NZ 3.23Å; Q314-K316 HydrophobicContact CB-CG 4.38Å; Q314-K316 PolarHBondContact O-N 2.8Å; K316-N318 PolarHBondContact O-N 3.36Å | ||
| 317 | F | 82.2 | Confident | 88.1 | Confident | 121 Ų | 121 | 69.6 Ų | 69.6 | 53% | 0.531 | 38% | 0.375 | S | S | . | . | trans | -81 | 113.4 | 176.2 | -60.7 | -90.6 | 0 | 0 | 0 | 109.2 | E282 Y284 | E282-F317 HydrophobicContact CG-CD1 4.48Å; Y284-F317 AromaticContact CD2-CD1 3.75Å; Y284-F317 HydrophobicContact CD2-CD1 3.75Å; Y284-F317 AromaticContact CD2-CE1 3.28Å; Y284-F317 HydrophobicContact CD2-CE1 3.28Å; Y284-F317 HydrophobicContact CD2-CE2 4.11Å; Y284-F317 HydrophobicContact CD2-CG 4.35Å; Y284-F317 AromaticContact CD2-CZ 3.51Å; Y284-F317 HydrophobicContact CD2-CZ 3.51Å; Y284-F317 HydrophobicContact CE2-CD1 4.36Å; Y284-F317 AromaticContact CE2-CE1 3.56Å; Y284-F317 HydrophobicContact CE2-CE1 3.56Å; Y284-F317 AromaticContact CE2-CE2 3.82Å; Y284-F317 HydrophobicContact CE2-CE2 3.82Å; Y284-F317 AromaticContact CE2-CZ 3.25Å; Y284-F317 HydrophobicContact CE2-CZ 3.25Å; Y284-F317 HydrophobicContact CG-CE1 4.37Å | ||
| 318 | N | 90 | Very high | 88.2 | Confident | 52 Ų | 52 | 65.8 Ų | 65.8 | 28% | 0.278 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 124.9 | 174.5 | -70.2 | -82.4 | 0 | 0 | 0 | 109.4 | E282 V283 I310 K316 | E282-N318 WeakPolarHBondContact CA-O 3.45Å; V283-N318 PolarHBondContact N-O 3.05Å; V283-N318 PolarHBondContact O-N 2.97Å; I310-N318 HydrophobicContact CG2-CB 4.06Å; I310-N318 WeakPolarHBondContact CG2-ND2 3.09Å; K316-N318 PolarHBondContact O-N 3.36Å |
| 319 | T | 94.3 | Very high | 88.6 | Confident | 75 Ų | 75 | 73.1 Ų | 73.1 | 46% | 0.46 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 131.8 | 171.2 | 51.6 | 0 | 0 | 0 | 0 | 109.7 | Q280 E282 | Q280-T319 HydrophobicContact CG-CG2 4.43Å; E282-T319 HydrophobicContact CB-CG2 4.09Å; E282-T319 HydrophobicContact CG-CG2 4.18Å |
| 320 | C | 95.8 | Very high | 89 | Confident | 8 Ų | 8 | 72.1 Ų | 72.1 | 5% | 0.054 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 113.3 | 173.6 | -159.6 | 0 | 0 | 0 | 0 | 108.5 | Q280 V281 Y294 C306 T307 C308 | Q280-C320 WeakPolarHBondContact CA-O 3.47Å; V281-C320 PolarHBondContact N-O 2.97Å; V281-C320 VanDerWaalsContact N-O 3.08Å; V281-C320 PolarHBondContact O-N 2.85Å; Y294-C320 HydrophobicContact CD1-CB 4.47Å; Y294-C320 HydrophobicContact CE1-CB 3.87Å; Y294-C320 WeakPolarHBondContact CE1-O 3.44Å; Y294-C320 PolarHBondContact OH-O 3.23Å; C306-C320 VanDerWaalsContact C-SG 3.53Å; C306-C320 HydrophobicContact CB-CB 4.1Å; C306-C320 WeakPolarHBondContact CB-SG 3.47Å; C306-C320 WeakPolarHBondContact SG-CA 3.45Å; C306-C320 WeakPolarHBondContact SG-CB 3.46Å; C306-C320 CovalentContact SG-SG 2.03Å; C306-C320 PolarHBondContact SG-SG 2.71Å; T307-C320 PolarHBondContact N-SG 3.29Å; C308-C320 HydrophobicContact CB-CB 4.47Å |
| 321 | Y | 98.2 | Very high | 89.8 | Confident | 118 Ų | 118 | 73.9 Ų | 73.9 | 46% | 0.463 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 138.6 | -178.7 | 177.9 | -85.1 | 0 | 0 | 0 | 111.3 | Y278 S279 Q280 C306 A323 F353 | Y278-Y321 HydrophobicContact CD2-CE2 4.48Å; S279-Y321 WeakPolarHBondContact O-CA 3.13Å; S279-Y321 WeakPolarHBondContact O-CD2 3.21Å; Q280-Y321 HydrophobicContact CB-CD2 4.08Å; Q280-Y321 HydrophobicContact CG-CD2 4.49Å; C306-Y321 PolarHBondContact SG-N 3.38Å; C306-Y321 VanDerWaalsContact SG-N 3.37Å; C306-Y321 PolarHBondContact SG-O 3.37Å; C306-Y321 VanDerWaalsContact SG-O 3.37Å; Y321-A323 HydrophobicContact CE1-CB 3.93Å; Y321-F353 HydrophobicContact CD2-CE2 4.17Å; Y321-F353 HydrophobicContact CD2-CZ 4.25Å; Y321-F353 HydrophobicContact CE2-CE2 4.08Å; Y321-F353 HydrophobicContact CE2-CZ 4.42Å |
| 322 | T | 98.6 | Very high | 90.7 | Very high | 24 Ų | 24 | 70.5 Ų | 70.5 | 15% | 0.147 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 154.6 | 168.8 | -166.8 | 0 | 0 | 0 | 0 | 111.1 | Y278 S279 Y294 V296 L304 C306 | Y278-T322 WeakPolarHBondContact CA-O 3.33Å; S279-T322 PolarHBondContact N-O 2.94Å; S279-T322 PolarHBondContact O-N 2.73Å; Y294-T322 HydrophobicContact CE2-CG2 4.01Å; V296-T322 HydrophobicContact CG2-CG2 3.95Å; L304-T322 HydrophobicContact CB-CG2 3.91Å; L304-T322 HydrophobicContact CD1-CG2 4.34Å; C306-T322 HydrophobicContact CB-CG2 4.1Å |
| 323 | A | 98.7 | Very high | 91.9 | Very high | 34 Ų | 34 | 70.6 Ų | 70.6 | 28% | 0.281 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 156.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | F276 I277 L304 Y321 | F276-A323 HydrophobicContact CE2-CB 3.89Å; F276-A323 HydrophobicContact CZ-CB 3.75Å; I277-A323 CarbonylContact O-C 3.5Å; I277-A323 WeakPolarHBondContact O-CA 3.39Å; I277-A323 WeakPolarHBondContact O-CB 3.44Å; L304-A323 VanDerWaalsContact CD1-C 3.47Å; Y321-A323 HydrophobicContact CE1-CB 3.93Å |
| 324 | G | 98.4 | Very high | 93.2 | Very high | 14 Ų | 14 | 68.6 Ų | 68.6 | 14% | 0.144 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -170 | 169.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | I277 | I277-G324 PolarHBondContact N-O 3.31Å; I277-G324 PolarHBondContact O-N 3.01Å |
| 325 | V | 98.1 | Very high | 94.4 | Very high | 82 Ų | 82 | 63.3 Ų | 63.3 | 50% | 0.497 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 134.2 | 178.7 | -179.8 | 0 | 0 | 0 | 0 | 109.4 | V274 Y275 F276 | V274-V325 HydrophobicContact CG1-CG1 3.43Å; V274-V325 VanDerWaalsContact CG1-CG1 3.43Å; Y275-V325 CarbonylContact O-C 3.56Å; Y275-V325 VanDerWaalsContact O-CA 3.3Å; Y275-V325 WeakPolarHBondContact O-CA 3.38Å; F276-V325 HydrophobicContact CB-CG2 4.41Å; F276-V325 HydrophobicContact CD2-CG2 3.88Å |
| 326 | S | 96 | Very high | 95.6 | Very high | 27 Ų | 27 | 55.1 Ų | 55.1 | 19% | 0.189 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 150.8 | 175.8 | -170.5 | 0 | 0 | 0 | 0 | 111.5 | Y275 | Y275-S326 PolarHBondContact N-O 2.94Å; Y275-S326 PolarHBondContact O-N 3.02Å |
| 327 | L | 97.1 | Very high | 96.5 | Very high | 102 Ų | 102 | 54.7 Ų | 54.7 | 53% | 0.534 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 123.3 | 166.9 | -69.1 | 94.2 | 0 | 0 | 0 | 108.4 | G273 A362 P363 | G273-L327 WeakPolarHBondContact O-CA 3.34Å; L327-A362 HydrophobicContact CD2-CB 4.01Å; L327-P363 HydrophobicContact CD2-CG 3.94Å |
| 328 | L | 97.2 | Very high | 97.1 | Very high | 3 Ų | 3 | 49.4 Ų | 49.4 | 2% | 0.016 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 144.2 | 176.5 | -56.5 | 179.3 | 0 | 0 | 0 | 110.8 | V269 D272 G273 Y275 I277 V298 Q332 I334 | V269-L328 HydrophobicContact CG1-CD1 3.85Å; V269-L328 HydrophobicContact CG2-CB 3.9Å; V269-L328 HydrophobicContact CG2-CD1 4.21Å; D272-L328 WeakPolarHBondContact CA-O 3.45Å; G273-L328 PolarHBondContact N-O 3.47Å; G273-L328 PolarHBondContact O-N 3.33Å; Y275-L328 HydrophobicContact CD1-CD1 4.5Å; Y275-L328 HydrophobicContact CD2-CB 3.64Å; Y275-L328 HydrophobicContact CD2-CD1 3.95Å; Y275-L328 HydrophobicContact CD2-CG 3.92Å; Y275-L328 HydrophobicContact CE2-CB 3.92Å; Y275-L328 HydrophobicContact CG-CB 4.43Å; Y275-L328 HydrophobicContact CG-CD1 3.9Å; Y275-L328 HydrophobicContact CG-CG 4.28Å; I277-L328 HydrophobicContact CD1-CD1 4.12Å; V298-L328 HydrophobicContact CB-CD2 4.48Å; V298-L328 HydrophobicContact CG1-CD2 3.52Å; V298-L328 HydrophobicContact CG2-CD2 4.09Å; L328-Q332 VanDerWaalsContact CA-OE1 3.31Å; L328-I334 HydrophobicContact CD1-CD1 3.73Å; L328-I334 HydrophobicContact CD1-CG1 4.01Å |
| 329 | R | 96.9 | Very high | 97.3 | Very high | 181 Ų | 181 | 49.3 Ų | 49.3 | 68% | 0.683 | 27% | 0.271 | S | S | * | . | trans | -94.9 | 152.8 | 169.7 | -63.3 | -172.3 | -125.5 | -88.3 | 0.8 | 110.7 | V269 D272 G331 Q332 | V269-R329 VanDerWaalsContact CG2-O 3.23Å; V269-R329 WeakPolarHBondContact CG2-O 3.49Å; D272-R329 WeakPolarHBondContact OD1-CA 3.43Å; R329-G331 PolarHBondContact O-N 2.9Å; R329-Q332 HydrophobicContact CB-CG 4.33Å; R329-Q332 WeakPolarHBondContact O-CB 3.28Å; R329-Q332 WeakPolarHBondContact O-CG 3.47Å; R329-Q332 PolarHBondContact O-N 3.04Å; R329-Q332 VanDerWaalsContact O-N 3.09Å | ||
| 330 | S | 97.2 | Very high | 97.1 | Very high | 67 Ų | 67 | 48.6 Ų | 48.6 | 47% | 0.469 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.9 | 132.6 | 171.2 | -174.7 | 0 | 0 | 0 | 0 | 110.7 | L270 D272 | L270-S330 VanDerWaalsContact C-OG 3.25Å; L270-S330 WeakPolarHBondContact O-CB 3.44Å; L270-S330 PolarHBondContact O-OG 3.32Å; D272-S330 PolarHBondContact OD1-N 3.45Å |
| 331 | G | 97.5 | Very high | 96.8 | Very high | 45 Ų | 45 | 54 Ų | 54 | 46% | 0.464 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.7 | -15.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | V269 R329 | V269-G331 PolarHBondContact O-N 2.69Å; R329-G331 PolarHBondContact O-N 2.9Å |
| 332 | Q | 98.4 | Very high | 96.3 | Very high | 42 Ų | 42 | 53.2 Ų | 53.2 | 20% | 0.196 | 28% | 0.284 | C | S | . | . | trans | -66.8 | 149.9 | 175.9 | -67.1 | -165.3 | -81.3 | 0 | 0 | 111.6 | V268 V269 D299 L328 R329 | V268-Q332 WeakPolarHBondContact CA-O 3.17Å; V269-Q332 HydrophobicContact CG2-CB 4.14Å; V269-Q332 WeakPolarHBondContact CG2-O 3.41Å; V269-Q332 PolarHBondContact N-O 2.89Å; D299-Q332 WeakPolarHBondContact OD1-CA 3.17Å; D299-Q332 WeakPolarHBondContact OD2-CG 3.31Å; D299-Q332 PolarHBondContact OD2-NE2 2.76Å; L328-Q332 VanDerWaalsContact CA-OE1 3.31Å; R329-Q332 HydrophobicContact CB-CG 4.33Å; R329-Q332 WeakPolarHBondContact O-CB 3.28Å; R329-Q332 WeakPolarHBondContact O-CG 3.47Å; R329-Q332 PolarHBondContact O-N 3.04Å; R329-Q332 VanDerWaalsContact O-N 3.09Å | ||
| 333 | K | 98.4 | Very high | 95.9 | Very high | 72 Ų | 72 | 52.2 Ų | 52.2 | 31% | 0.313 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 136.1 | -172.5 | -50.7 | -171.7 | -171.8 | 176.8 | 0 | 111.5 | E266 L267 V268 V298 D299 | E266-K333 HydrophobicContact CB-CB 4.41Å; E266-K333 HydrophobicContact CB-CD 4.21Å; E266-K333 VanDerWaalsContact CD-NZ 3.3Å; E266-K333 HydrophobicContact CG-CD 4.23Å; E266-K333 WeakPolarHBondContact OE1-CD 3.41Å; E266-K333 IonicContact OE1-NZ 2.97Å; E266-K333 PolarHBondContact OE1-NZ 2.99Å; E266-K333 IonicContact OE2-NZ 2.92Å; E266-K333 PolarHBondContact OE2-NZ 3.29Å; L267-K333 CarbonylContact O-C 3.44Å; L267-K333 WeakPolarHBondContact O-CA 3.44Å; V268-K333 HydrophobicContact CG2-CG 4.24Å; V298-K333 CarbonylContact C-O 3.47Å; V298-K333 WeakPolarHBondContact CA-O 3.36Å; D299-K333 PolarHBondContact N-O 2.66Å; D299-K333 PolarHBondContact OD1-N 2.58Å |
| 334 | I | 98.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 132.8 | 172.6 | -54.2 | 164 | 0 | 0 | 0 | 107.9 | L267 V269 I277 V296 M297 L328 L354 | L267-I334 HydrophobicContact CB-CB 4.29Å; L267-I334 HydrophobicContact CD2-CD1 4.24Å; L267-I334 PolarHBondContact N-O 3.47Å; L267-I334 PolarHBondContact O-N 2.94Å; V269-I334 HydrophobicContact CG1-CD1 4.12Å; I277-I334 HydrophobicContact CD1-CD1 3.78Å; I277-I334 HydrophobicContact CD1-CG1 4.17Å; I277-I334 HydrophobicContact CG1-CD1 4.04Å; I277-I334 HydrophobicContact CG2-CG2 4.01Å; V296-I334 HydrophobicContact CG1-CG2 3.97Å; M297-I334 VanDerWaalsContact O-CA 3.31Å; M297-I334 WeakPolarHBondContact O-CA 3.28Å; L328-I334 HydrophobicContact CD1-CD1 3.73Å; L328-I334 HydrophobicContact CD1-CG1 4.01Å; I334-L354 HydrophobicContact CG2-CD1 4.31Å |
| 335 | S | 98.4 | Very high | 95.4 | Very high | 5 Ų | 5 | 51.6 Ų | 51.6 | 4% | 0.035 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 162.9 | 173.2 | 64.5 | 0 | 0 | 0 | 0 | 111.3 | V296 M297 | V296-S335 CarbonylContact C-O 3.58Å; M297-S335 PolarHBondContact N-O 2.93Å; M297-S335 PolarHBondContact O-N 3.14Å |
| 336 | I | 98.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 126 | 172 | -62.5 | 175.1 | 0 | 0 | 0 | 107.9 | V244 L245 W248 V281 Y294 D295 I338 L354 | V244-I336 CarbonylContact C-O 3.59Å; V244-I336 WeakPolarHBondContact CA-O 3.42Å; L245-I336 HydrophobicContact CB-CB 4.25Å; L245-I336 HydrophobicContact CD1-CB 4.02Å; L245-I336 HydrophobicContact CD1-CD1 4.38Å; L245-I336 HydrophobicContact CD1-CG2 3.64Å; L245-I336 HydrophobicContact CG-CB 4.28Å; L245-I336 HydrophobicContact CG-CG2 4.04Å; L245-I336 PolarHBondContact N-O 3.13Å; W248-I336 HydrophobicContact CH2-CD1 4Å; W248-I336 HydrophobicContact CZ2-CD1 3.96Å; V281-I336 HydrophobicContact CG2-CD1 4.15Å; V281-I336 HydrophobicContact CG2-CG2 4.05Å; Y294-I336 HydrophobicContact CD2-CG2 3.65Å; Y294-I336 HydrophobicContact CE2-CG2 4.33Å; Y294-I336 HydrophobicContact CG-CG2 4.04Å; D295-I336 CarbonylContact O-C 3.58Å; D295-I336 WeakPolarHBondContact O-CA 3.31Å; I336-I338 HydrophobicContact CG2-CD1 4.29Å; I336-L354 HydrophobicContact CD1-CB 4Å; I336-L354 HydrophobicContact CD1-CD1 4.15Å; I336-L354 HydrophobicContact CD1-CG 4.45Å; I336-L354 HydrophobicContact CG1-CD1 4.19Å; I336-L354 HydrophobicContact CG1-CD2 4.42Å |
| 337 | R | 97.8 | Very high | 95.1 | Very high | 76 Ų | 76 | 47.6 Ų | 47.6 | 29% | 0.287 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 122.4 | 174.4 | -178.9 | 178.5 | -69.9 | 177.9 | 0.5 | 109.9 | Q242 G243 Y294 D295 M297 | Q242-R337 PolarHBondContact O-NE 3.4Å; G243-R337 CarbonylContact O-C 3.54Å; G243-R337 WeakPolarHBondContact O-CA 3.29Å; Y294-R337 CarbonylContact C-O 3.52Å; Y294-R337 VanDerWaalsContact CA-O 3.28Å; Y294-R337 WeakPolarHBondContact CA-O 3.35Å; Y294-R337 WeakPolarHBondContact CB-O 3.42Å; D295-R337 PolarHBondContact N-O 2.72Å; D295-R337 PolarHBondContact O-N 3.13Å; M297-R337 HydrophobicContact CG-CB 3.74Å; M297-R337 HydrophobicContact SD-CB 4.11Å |
| 338 | I | 96.1 | Very high | 94.9 | Very high | 10 Ų | 10 | 44.2 Ų | 44.2 | 5% | 0.051 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 132.9 | 173.1 | -50.2 | -56.2 | 0 | 0 | 0 | 109.1 | V236 L240 G243 L245 V281 I336 T343 I345 | V236-I338 HydrophobicContact CG1-CB 4.1Å; V236-I338 HydrophobicContact CG1-CG2 4.42Å; V236-I338 HydrophobicContact CG2-CB 3.85Å; V236-I338 HydrophobicContact CG2-CG1 3.85Å; V236-I338 HydrophobicContact CG2-CG2 3.82Å; L240-I338 HydrophobicContact CD1-CG1 4.49Å; G243-I338 PolarHBondContact O-N 2.94Å; L245-I338 HydrophobicContact CD1-CD1 3.98Å; L245-I338 HydrophobicContact CD2-CD1 4.04Å; L245-I338 HydrophobicContact CD2-CG1 3.86Å; L245-I338 HydrophobicContact CG-CD1 3.92Å; L245-I338 HydrophobicContact CG-CG1 4.06Å; V281-I338 HydrophobicContact CG1-CD1 4.23Å; I336-I338 HydrophobicContact CG2-CD1 4.29Å; I338-T343 HydrophobicContact CG2-CG2 4.34Å; I338-I345 HydrophobicContact CD1-CD1 4Å; I338-I345 HydrophobicContact CD1-CG1 4.18Å; I338-I345 HydrophobicContact CG1-CD1 4.35Å; I338-I345 HydrophobicContact CG1-CG1 4.16Å |
| 339 | A | 93.1 | Very high | 94.7 | Very high | 50 Ų | 50 | 45.5 Ų | 45.5 | 41% | 0.413 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -75.9 | -30.2 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | S293 | S293-A339 VanDerWaalsContact O-CB 3.29Å; S293-A339 WeakPolarHBondContact O-CB 3.23Å; S293-A339 PolarHBondContact O-N 3.38Å |
| 340 | H | 90.6 | Very high | 94.4 | Very high | 60 Ų | 60 | 43.3 Ų | 43.3 | 28% | 0.278 | 23% | 0.228 | S | C | . | . | trans | -113.1 | 129 | -175 | -59.2 | -69.4 | 0 | 0 | 0 | 111.2 | L286 I291 Y342 T343 | L286-H340 HydrophobicContact CD2-CB 4.13Å; I291-H340 PolarHBondContact O-CD2 3.17Å; I291-H340 VanDerWaalsContact O-CD2 3.28Å; I291-H340 PolarHBondContact O-NE2 3.27Å; H340-Y342 PolarHBondContact O-N 3.44Å; H340-T343 WeakPolarHBondContact CB-OG1 3.38Å; H340-T343 PolarHBondContact O-OG1 3.16Å | ||
| 341 | E | 89.5 | Confident | 94.3 | Very high | 122 Ų | 122 | 41.5 Ų | 41.5 | 57% | 0.57 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -27.6 | -174.8 | -62.1 | -177.7 | 171 | 0 | 0 | 113.2 | V236 R237 T343 | V236-E341 WeakPolarHBondContact CB-O 3.14Å; R237-E341 HydrophobicContact CB-CB 4.21Å; R237-E341 WeakPolarHBondContact CB-O 3.45Å; R237-E341 PolarHBondContact N-O 2.84Å; E341-T343 VanDerWaalsContact C-N 3.27Å; E341-T343 PolarHBondContact O-N 2.97Å |
| 342 | Y | 88.4 | Confident | 94.3 | Very high | 102 Ų | 102 | 39.3 Ų | 39.3 | 40% | 0.4 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | 28.6 | -178.8 | -59 | -74.6 | 0 | 0 | 0 | 113.4 | R237 N287 F288 H340 | R237-Y342 PolarHBondContact NH1-OH 3.18Å; N287-Y342 PolarHBondContact N-O 2.87Å; F288-Y342 HydrophobicContact CD2-CD2 4.12Å; F288-Y342 HydrophobicContact CD2-CG 4.07Å; F288-Y342 HydrophobicContact CE2-CD1 4.32Å; F288-Y342 HydrophobicContact CE2-CG 4.23Å; H340-Y342 PolarHBondContact O-N 3.44Å |
| 343 | T | 89.8 | Confident | 94.3 | Very high | 2 Ų | 2 | 38.7 Ų | 38.7 | 1% | 0.012 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 139.2 | 177.6 | -56.7 | 0 | 0 | 0 | 0 | 111.3 | V236 V283 L286 I338 H340 E341 I345 | V236-T343 VanDerWaalsContact CG2-O 3.29Å; V236-T343 WeakPolarHBondContact CG2-O 3.34Å; V236-T343 PolarHBondContact N-O 2.94Å; V236-T343 VanDerWaalsContact N-O 3.13Å; V283-T343 HydrophobicContact CG1-CG2 3.9Å; L286-T343 HydrophobicContact CD1-CG2 3.58Å; L286-T343 WeakPolarHBondContact CD2-OG1 3.29Å; L286-T343 HydrophobicContact CG-CG2 3.96Å; L286-T343 VanDerWaalsContact CG-OG1 3.29Å; L286-T343 WeakPolarHBondContact CG-OG1 3.41Å; I338-T343 HydrophobicContact CG2-CG2 4.34Å; H340-T343 WeakPolarHBondContact CB-OG1 3.38Å; H340-T343 PolarHBondContact O-OG1 3.16Å; E341-T343 VanDerWaalsContact C-N 3.27Å; E341-T343 PolarHBondContact O-N 2.97Å; T343-I345 HydrophobicContact CG2-CD1 3.49Å; T343-I345 VanDerWaalsContact CG2-CD1 3.49Å; T343-I345 HydrophobicContact CG2-CG1 4.27Å |
| 344 | L | 91.8 | Very high | 94.3 | Very high | 36 Ų | 36 | 35.3 Ų | 35.3 | 19% | 0.188 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 124.8 | 167.5 | -58.2 | -174.9 | 0 | 0 | 0 | 110.2 | T233 I234 Q235 Y284 Y285 | T233-L344 HydrophobicContact CG2-CB 4.39Å; I234-L344 WeakPolarHBondContact O-CA 3.44Å; Q235-L344 HydrophobicContact CB-CD2 3.74Å; Q235-L344 HydrophobicContact CG-CD2 3.53Å; Y284-L344 HydrophobicContact CD1-CB 4.28Å; Y284-L344 HydrophobicContact CD1-CD1 4.29Å; Y284-L344 PolarHBondContact N-O 2.93Å; Y285-L344 HydrophobicContact CD1-CD1 3.89Å; Y285-L344 HydrophobicContact CD1-CG 4.1Å; Y285-L344 HydrophobicContact CG-CD1 4.25Å; Y285-L344 PolarHBondContact O-N 3.32Å |
| 345 | I | 93.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 133 | -179.4 | -55.8 | -58.9 | 0 | 0 | 0 | 109.5 | T233 I234 V236 L245 V281 V283 I338 T343 M347 | T233-I345 WeakPolarHBondContact CA-O 3.29Å; I234-I345 HydrophobicContact CB-CB 4.4Å; I234-I345 PolarHBondContact N-O 3.42Å; I234-I345 PolarHBondContact O-N 3.11Å; V236-I345 HydrophobicContact CG2-CG1 4.07Å; L245-I345 HydrophobicContact CD2-CG1 4.34Å; L245-I345 HydrophobicContact CD2-CG2 4.32Å; V281-I345 HydrophobicContact CG1-CD1 3.75Å; V281-I345 HydrophobicContact CG1-CG1 4.38Å; V281-I345 HydrophobicContact CG1-CG2 3.56Å; V283-I345 HydrophobicContact CG2-CD1 4.07Å; I338-I345 HydrophobicContact CD1-CD1 4Å; I338-I345 HydrophobicContact CD1-CG1 4.18Å; I338-I345 HydrophobicContact CG1-CD1 4.35Å; I338-I345 HydrophobicContact CG1-CG1 4.16Å; T343-I345 HydrophobicContact CG2-CD1 3.49Å; T343-I345 VanDerWaalsContact CG2-CD1 3.49Å; T343-I345 HydrophobicContact CG2-CG1 4.27Å; I345-M347 HydrophobicContact CG2-CG 4.47Å; I345-M347 HydrophobicContact CG2-SD 3.81Å |
| 346 | N | 93.9 | Very high | 94.2 | Very high | 24 Ų | 24 | 35 Ų | 35 | 13% | 0.128 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 113.3 | 172.8 | -168.5 | 10.7 | 0 | 0 | 0 | 109.9 | E282 T348 T352 | E282-N346 HydrophobicContact CB-CB 4.28Å; E282-N346 HydrophobicContact CG-CB 4.17Å; E282-N346 PolarHBondContact O-N 3.27Å; E282-N346 VanDerWaalsContact OE2-CB 3.31Å; E282-N346 WeakPolarHBondContact OE2-CB 3.45Å; E282-N346 VanDerWaalsContact OE2-CG 3.29Å; E282-N346 PolarHBondContact OE2-ND2 3.01Å; N346-T348 VanDerWaalsContact C-N 3.29Å; N346-T348 WeakPolarHBondContact ND2-CG2 3.04Å; N346-T348 PolarHBondContact O-N 3.23Å; N346-T348 VanDerWaalsContact OD1-CG2 3.27Å; N346-T348 WeakPolarHBondContact OD1-CG2 3.23Å; N346-T352 WeakPolarHBondContact O-CB 3.4Å; N346-T352 PolarHBondContact O-OG1 3.14Å |
| 347 | M | 94.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 18% | 0.18 | C | C | . | . | trans | -91.1 | 39.2 | -176.9 | -60.2 | -68.6 | -63.1 | 0 | 0 | 112.2 | G229 Q230 E231 T232 I234 L245 R246 W248 I345 T352 | G229-M347 CarbonylContact C-O 3.57Å; G229-M347 WeakPolarHBondContact CA-O 3.38Å; Q230-M347 PolarHBondContact N-O 3.23Å; E231-M347 PolarHBondContact N-O 3.37Å; T232-M347 WeakPolarHBondContact O-CA 3.45Å; T232-M347 WeakPolarHBondContact O-CB 3.38Å; T232-M347 WeakPolarHBondContact O-CG 3.35Å; T232-M347 PolarHBondContact O-N 3.08Å; I234-M347 HydrophobicContact CB-CG 4.47Å; I234-M347 HydrophobicContact CD1-CE 4.33Å; I234-M347 HydrophobicContact CD1-CG 3.46Å; I234-M347 VanDerWaalsContact CD1-CG 3.46Å; I234-M347 HydrophobicContact CD1-SD 3.8Å; I234-M347 HydrophobicContact CG1-CG 3.72Å; L245-M347 HydrophobicContact CD2-SD 4.33Å; R246-M347 VanDerWaalsContact O-CE 3.32Å; R246-M347 WeakPolarHBondContact O-CE 3.37Å; W248-M347 HydrophobicContact CE3-CE 4.29Å; W248-M347 HydrophobicContact CH2-CE 4.16Å; W248-M347 HydrophobicContact CZ2-CE 4.47Å; W248-M347 HydrophobicContact CZ3-CE 4.05Å; I345-M347 HydrophobicContact CG2-CG 4.47Å; I345-M347 HydrophobicContact CG2-SD 3.81Å; M347-T352 HydrophobicContact CE-CG2 3.99Å; M347-T352 HydrophobicContact SD-CG2 3.62Å | ||
| 348 | T | 93.3 | Very high | 94.2 | Very high | 31 Ų | 31 | 34.1 Ų | 34.1 | 19% | 0.19 | 17% | 0.171 | C | C | . | . | trans | -67.1 | 152.2 | 173.3 | 84.6 | 0 | 0 | 0 | 0 | 110.8 | N346 H350 T351 T352 | N346-T348 VanDerWaalsContact C-N 3.29Å; N346-T348 WeakPolarHBondContact ND2-CG2 3.04Å; N346-T348 PolarHBondContact O-N 3.23Å; N346-T348 VanDerWaalsContact OD1-CG2 3.27Å; N346-T348 WeakPolarHBondContact OD1-CG2 3.23Å; T348-H350 VanDerWaalsContact C-N 3.26Å; T348-H350 PolarHBondContact O-N 3.14Å; T348-T351 PolarHBondContact O-N 3.45Å; T348-T351 WeakPolarHBondContact OG1-CB 3.48Å; T348-T351 WeakPolarHBondContact OG1-CG2 3.41Å; T348-T351 PolarHBondContact OG1-N 2.71Å; T348-T351 PolarHBondContact OG1-OG1 2.64Å; T348-T352 PolarHBondContact O-N 2.89Å; T348-T352 VanDerWaalsContact O-N 3.13Å | ||
| 349 | N | 92.4 | Very high | 94.1 | Very high | 30 Ų | 30 | 37.9 Ų | 37.9 | 16% | 0.16 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -26.7 | -175.5 | 60.1 | -7.2 | 0 | 0 | 0 | 114.5 | Q228 | Q228-N349 HydrophobicContact CB-CB 4.09Å; Q228-N349 WeakPolarHBondContact CG-O 3.42Å |
| 350 | H | 91.4 | Very high | 94 | Very high | 135 Ų | 135 | 36.3 Ų | 36.3 | 63% | 0.625 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -100.4 | -20.2 | -176.2 | -58.2 | -48.9 | 0 | 0 | 0 | 113.4 | T348 | T348-H350 VanDerWaalsContact C-N 3.26Å; T348-H350 PolarHBondContact O-N 3.14Å |
| 351 | T | 94.6 | Very high | 94 | Very high | 29 Ų | 29 | 40.6 Ų | 40.6 | 18% | 0.178 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104 | -26.3 | -174.8 | 68.5 | 0 | 0 | 0 | 0 | 113 | Q280 E282 T348 | Q280-T351 WeakPolarHBondContact CG-O 3.13Å; Q280-T351 PolarHBondContact NE2-O 3.25Å; E282-T351 WeakPolarHBondContact CB-OG1 3.49Å; E282-T351 VanDerWaalsContact CD-CB 3.45Å; E282-T351 VanDerWaalsContact CD-OG1 3.27Å; E282-T351 VanDerWaalsContact OE2-CB 3.23Å; E282-T351 WeakPolarHBondContact OE2-CB 3.41Å; E282-T351 PolarHBondContact OE2-OG1 3.37Å; T348-T351 PolarHBondContact O-N 3.45Å; T348-T351 WeakPolarHBondContact OG1-CB 3.48Å; T348-T351 WeakPolarHBondContact OG1-CG2 3.41Å; T348-T351 PolarHBondContact OG1-N 2.71Å; T348-T351 PolarHBondContact OG1-OG1 2.64Å |
| 352 | T | 97.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -125.2 | 117.9 | 177.8 | -64.8 | 0 | 0 | 0 | 0 | 111.6 | G229 W248 Q280 V281 E282 N346 M347 T348 | G229-T352 PolarHBondContact N-O 2.86Å; W248-T352 HydrophobicContact CH2-CG2 3.97Å; W248-T352 HydrophobicContact CZ3-CG2 4.15Å; Q280-T352 CarbonylContact O-C 3.56Å; Q280-T352 VanDerWaalsContact O-CA 3.31Å; Q280-T352 WeakPolarHBondContact O-CA 3.29Å; V281-T352 HydrophobicContact CG1-CG2 4.48Å; E282-T352 PolarHBondContact N-OG1 2.98Å; N346-T352 WeakPolarHBondContact O-CB 3.4Å; N346-T352 PolarHBondContact O-OG1 3.14Å; M347-T352 HydrophobicContact CE-CG2 3.99Å; M347-T352 HydrophobicContact SD-CG2 3.62Å; T348-T352 PolarHBondContact O-N 2.89Å; T348-T352 VanDerWaalsContact O-N 3.13Å |
| 353 | F | 97.9 | Very high | 93.3 | Very high | 29 Ų | 29 | 36.1 Ų | 36.1 | 13% | 0.127 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 155.6 | -176.4 | 52.4 | -101.3 | 0 | 0 | 0 | 113.1 | H226 L227 Y278 S279 Q280 Y321 | H226-F353 AromaticContact CE1-CG 3.91Å; L227-F353 CarbonylContact O-C 3.59Å; L227-F353 WeakPolarHBondContact O-CA 3.31Å; L227-F353 WeakPolarHBondContact O-CB 3.45Å; Y278-F353 HydrophobicContact CD2-CD2 4.1Å; Y278-F353 AromaticContact CD2-CE2 3.99Å; Y278-F353 HydrophobicContact CD2-CE2 3.99Å; Y278-F353 HydrophobicContact CE2-CD2 4.01Å; Y278-F353 HydrophobicContact CE2-CE2 4.16Å; S279-F353 WeakPolarHBondContact CA-O 3.3Å; Q280-F353 HydrophobicContact CB-CD1 4.04Å; Q280-F353 HydrophobicContact CB-CD2 3.95Å; Q280-F353 HydrophobicContact CB-CE1 3.58Å; Q280-F353 HydrophobicContact CB-CE2 3.47Å; Q280-F353 VanDerWaalsContact CB-CE2 3.47Å; Q280-F353 HydrophobicContact CB-CG 4.22Å; Q280-F353 HydrophobicContact CB-CZ 3.27Å; Q280-F353 HydrophobicContact CG-CE1 4.2Å; Q280-F353 HydrophobicContact CG-CZ 4.07Å; Q280-F353 PolarHBondContact N-O 2.94Å; Q280-F353 PolarHBondContact O-N 3.45Å; Q280-F353 VanDerWaalsContact O-O 3.14Å; Y321-F353 HydrophobicContact CD2-CE2 4.17Å; Y321-F353 HydrophobicContact CD2-CZ 4.25Å; Y321-F353 HydrophobicContact CE2-CE2 4.08Å; Y321-F353 HydrophobicContact CE2-CZ 4.42Å |
| 354 | L | 98.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 134.5 | 171.8 | 173.9 | 63.3 | 0 | 0 | 0 | 108.6 | L227 W248 I277 I334 I336 | L227-L354 WeakPolarHBondContact CA-O 3.37Å; L227-L354 HydrophobicContact CB-CB 4.41Å; L227-L354 VanDerWaalsContact CB-O 3.24Å; L227-L354 WeakPolarHBondContact CB-O 3.27Å; L227-L354 HydrophobicContact CD1-CB 4.05Å; L227-L354 HydrophobicContact CD1-CD2 3.92Å; L227-L354 HydrophobicContact CD1-CG 4.01Å; L227-L354 WeakPolarHBondContact CG-O 3.43Å; L227-L354 PolarHBondContact N-O 2.65Å; L227-L354 PolarHBondContact O-N 3.27Å; W248-L354 HydrophobicContact CH2-CB 4.03Å; W248-L354 HydrophobicContact CZ2-CB 4.16Å; W248-L354 HydrophobicContact CZ3-CB 4.32Å; I277-L354 HydrophobicContact CG2-CD1 4.49Å; I334-L354 HydrophobicContact CG2-CD1 4.31Å; I336-L354 HydrophobicContact CD1-CB 4Å; I336-L354 HydrophobicContact CD1-CD1 4.15Å; I336-L354 HydrophobicContact CD1-CG 4.45Å; I336-L354 HydrophobicContact CG1-CD1 4.19Å; I336-L354 HydrophobicContact CG1-CD2 4.42Å |
| 355 | G | 98.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 163 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | V225 Y278 | V225-G355 CarbonylContact O-C 3.56Å; V225-G355 WeakPolarHBondContact O-CA 3.49Å; Y278-G355 PolarHBondContact N-O 3.08Å; Y278-G355 PolarHBondContact O-N 3.31Å |
| 356 | S | 98.2 | Very high | 88.7 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 149.6 | 175.8 | -173.9 | 0 | 0 | 0 | 0 | 111.9 | V224 V225 F276 | V224-S356 WeakPolarHBondContact CA-O 3.37Å; V225-S356 PolarHBondContact N-O 3.31Å; V225-S356 PolarHBondContact O-N 2.95Å; F276-S356 CarbonylContact O-C 3.51Å; F276-S356 WeakPolarHBondContact O-CA 3.34Å; F276-S356 WeakPolarHBondContact O-CB 3.41Å; F276-S356 PolarHBondContact O-OG 3.3Å |
| 357 | V | 97.8 | Very high | 86.5 | Confident | 28 Ų | 28 | 55.9 Ų | 55.9 | 17% | 0.17 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 122.7 | 175.5 | -175 | 0 | 0 | 0 | 0 | 108.8 | P222 A223 V224 Y275 F276 L359 | P222-V357 HydrophobicContact CB-CG1 4.19Å; A223-V357 CarbonylContact O-C 3.56Å; A223-V357 WeakPolarHBondContact O-CA 3.47Å; V224-V357 HydrophobicContact CG1-CG2 4.23Å; V224-V357 HydrophobicContact CG2-CG1 4.1Å; V224-V357 HydrophobicContact CG2-CG2 4.14Å; Y275-V357 CarbonylContact C-O 3.46Å; Y275-V357 WeakPolarHBondContact CA-O 3.47Å; F276-V357 HydrophobicContact CB-CB 4.37Å; F276-V357 HydrophobicContact CD1-CG2 4.44Å; F276-V357 PolarHBondContact N-O 2.77Å; F276-V357 PolarHBondContact O-N 3.42Å; V357-L359 HydrophobicContact CB-CD2 4.42Å; V357-L359 HydrophobicContact CG1-CD2 3.94Å; V357-L359 PolarHBondContact O-N 3.46Å |
| 358 | R | 96.8 | Very high | 84 | Confident | 29 Ų | 29 | 63.8 Ų | 63.8 | 11% | 0.109 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 110.6 | 168.1 | -170.7 | -179.3 | 177 | -111.1 | -2.1 | 108.3 | F220 P222 A223 V257 D272 Y275 | F220-R358 HydrophobicContact CZ-CG 4.23Å; F220-R358 WeakPolarHBondContact CZ-O 3.39Å; P222-R358 WeakPolarHBondContact CA-O 3.42Å; A223-R358 HydrophobicContact CB-CB 4.24Å; A223-R358 PolarHBondContact O-N 3.46Å; V257-R358 HydrophobicContact CG1-CB 4.01Å; V257-R358 HydrophobicContact CG1-CG 4.38Å; D272-R358 PolarHBondContact O-NE 2.88Å; D272-R358 VanDerWaalsContact O-NE 3.13Å; D272-R358 PolarHBondContact O-NH2 3.31Å; Y275-R358 HydrophobicContact CD1-CB 4.03Å; Y275-R358 HydrophobicContact CD1-CG 4.43Å; Y275-R358 HydrophobicContact CE1-CB 3.64Å; Y275-R358 HydrophobicContact CE1-CG 3.9Å; Y275-R358 HydrophobicContact CE2-CG 4.19Å; Y275-R358 WeakPolarHBondContact OH-CD 3.2Å |
| 359 | L | 94.9 | Very high | 81.3 | Confident | 89 Ų | 89 | 69.2 Ų | 69.2 | 47% | 0.466 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | -29.1 | -174.9 | -62.2 | 177 | 0 | 0 | 0 | 113.2 | F220 V274 F276 V357 | F220-L359 WeakPolarHBondContact CE1-O 3.36Å; F220-L359 WeakPolarHBondContact CZ-O 3.3Å; V274-L359 HydrophobicContact CB-CB 4.46Å; V274-L359 HydrophobicContact CG1-CB 4.49Å; V274-L359 HydrophobicContact CG1-CD1 4.22Å; V274-L359 PolarHBondContact O-N 2.9Å; F276-L359 HydrophobicContact CB-CD1 4.1Å; F276-L359 HydrophobicContact CB-CD2 4.47Å; F276-L359 HydrophobicContact CB-CG 4.3Å; V357-L359 HydrophobicContact CB-CD2 4.42Å; V357-L359 HydrophobicContact CG1-CD2 3.94Å; V357-L359 PolarHBondContact O-N 3.46Å |
| 360 | G | 90.8 | Very high | 80.7 | Confident | 16 Ų | 16 | 71.2 Ų | 71.2 | 17% | 0.165 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -178.1 | 179.7 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | F220 G273 V274 | F220-G360 VanDerWaalsContact CE2-CA 3.49Å; G273-G360 WeakPolarHBondContact CA-O 3.34Å; V274-G360 PolarHBondContact N-O 3.44Å |
| 361 | E | 90.6 | Very high | 80.2 | Confident | 150 Ų | 150 | 67.8 Ų | 67.8 | 70% | 0.701 | 44% | 0.442 | S | S | * | . | P | Polyproline II helix | trans | -67.8 | 150.3 | 164.9 | -64.7 | -175.3 | 170.4 | 0 | 0 | 110.2 | ||
| 362 | A | 83.1 | Confident | 79.4 | Confident | 37 Ų | 37 | 70 Ų | 70 | 31% | 0.306 | 46% | 0.457 | S | S | . | . | P | Polyproline II helix | trans | -67.4 | 135.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | L327 S364 | L327-A362 HydrophobicContact CD2-CB 4.01Å; A362-S364 PolarHBondContact O-N 3.49Å; A362-S364 VanDerWaalsContact O-N 3.14Å |
| 363 | P | 80 | Confident | 78.3 | Confident | 94 Ų | 94 | 74.1 Ų | 74.1 | 61% | 0.61 | 48% | 0.484 | S | S | * | . | P | Polyproline II helix | trans | -54.4 | 124.7 | 170.2 | 19.5 | -29.9 | 0 | 0 | 0 | 108.8 | L327 A365 | L327-P363 HydrophobicContact CD2-CG 3.94Å; P363-A365 PolarHBondContact O-N 3.09Å; P363-A365 VanDerWaalsContact O-N 3.16Å |
| 364 | S | 70 | Confident | 77.1 | Confident | 115 Ų | 115 | 76.9 Ų | 76.9 | 80% | 0.804 | 51% | 0.506 | S | S | * | . | P | Polyproline II helix | trans | -55.3 | 121.5 | 171.6 | 12.1 | 0 | 0 | 0 | 0 | 107.4 | A362 G366 | A362-S364 PolarHBondContact O-N 3.49Å; A362-S364 VanDerWaalsContact O-N 3.14Å; S364-G366 PolarHBondContact O-N 3.36Å |
| 365 | A | 58 | Low | 75.7 | Confident | 103 Ų | 103 | 82.1 Ų | 82.1 | 85% | 0.851 | 54% | 0.54 | S | S | * | . | trans | -53.4 | 113.6 | 168.5 | 0 | 0 | 0 | 0 | 0 | 106.8 | P363 Q367 | P363-A365 PolarHBondContact O-N 3.09Å; P363-A365 VanDerWaalsContact O-N 3.16Å; A365-Q367 PolarHBondContact O-N 3.3Å | ||
| 366 | G | 50.6 | Low | 74.1 | Confident | 56 Ų | 56 | 87.9 Ų | 87.9 | 58% | 0.577 | 58% | 0.578 | S | S | * | * | trans | -55.7 | 135.6 | -165.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | S364 N368 | S364-G366 PolarHBondContact O-N 3.36Å; G366-N368 PolarHBondContact O-N 3.13Å | ||
| 367 | Q | 47.9 | Very low | 72.2 | Confident | 202 Ų | 202 | 94.7 Ų | 94.7 | 94% | 0.944 | 62% | 0.623 | S | S | * | * | trans | -53.5 | 96.6 | 140.7 | -81.2 | 172.8 | -38.4 | 0 | 0 | 107 | A365 G369 | A365-Q367 PolarHBondContact O-N 3.3Å; Q367-G369 PolarHBondContact O-N 3.18Å | ||
| 368 | N | 41.4 | Very low | 70.1 | Confident | 166 Ų | 166 | 100.3 Ų | 100.3 | 89% | 0.888 | 66% | 0.661 | S | S | * | * | trans | -77.6 | 98.8 | 157.7 | -74.4 | -11.4 | 0 | 0 | 0 | 105.8 | G366 | G366-N368 PolarHBondContact O-N 3.13Š| ||
| 369 | G | 37.1 | Very low | 67.7 | Low | 146 Ų | 146 | 106.7 Ų | 106.7 | 100% | 1.505 | 71% | 0.711 | S | S | * | * | trans | -88.5 | 0 | 166.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q367 | Q367-G369 PolarHBondContact O-N 3.18Š|
Retrieved 369 of 369 residues in 259.9 ms
(Link to these results)