| 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 | 32.5 | Very low | 37.7 | Very low | 239 Ų | 239 | 131 Ų | 131 | 100% | 1.177 | 82% | 0.819 | S | S | * | * | 0 | 100 | 0 | 172.2 | 175.7 | 170.4 | 0 | 0 | 105.3 | |||||
| 2 | A | 34.4 | Very low | 38.5 | Very low | 108 Ų | 108 | 130.9 Ų | 130.9 | 89% | 0.893 | 80% | 0.802 | S | S | * | * | trans | 56.8 | 157.6 | -156.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 3 | G | 32.5 | Very low | 39.3 | Very low | 61 Ų | 61 | 133.4 Ų | 133.4 | 63% | 0.629 | 80% | 0.799 | S | S | * | * | cis | 163.2 | 155.7 | -11.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 4 | N | 38.4 | Very low | 39.9 | Very low | 149 Ų | 149 | 135.1 Ų | 135.1 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | trans | 71.4 | 93.7 | 163.2 | -51.6 | 16.8 | 0 | 0 | 0 | 117.5 | ||||
| 5 | D | 35.9 | Very low | 40.3 | Very low | 144 Ų | 144 | 131.4 Ų | 131.4 | 77% | 0.77 | 78% | 0.784 | S | S | * | * | 42.1 | 152.7 | 101.1 | -52.4 | -50.1 | 0 | 0 | 0 | 122.4 | |||||
| 6 | C | 37.1 | Very low | 40.6 | Very low | 133 Ų | 133 | 126.9 Ų | 126.9 | 90% | 0.899 | 76% | 0.761 | S | S | * | * | trans | 70.1 | 131.8 | 167.9 | -59.6 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 7 | G | 31.8 | Very low | 40.7 | Very low | 72 Ų | 72 | 130.2 Ų | 130.2 | 74% | 0.742 | 76% | 0.763 | S | S | * | * | cis | 121.3 | 110.6 | -13.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 8 | A | 40.6 | Very low | 40.9 | Very low | 95 Ų | 95 | 133 Ų | 133 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | trans | 65.3 | 166.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 9 | L | 37.6 | Very low | 41.1 | Very low | 162 Ų | 162 | 132.3 Ų | 132.3 | 85% | 0.848 | 76% | 0.758 | S | S | * | * | trans | 70.3 | 132.9 | 179.6 | -47.7 | -178.5 | 0 | 0 | 0 | 113.7 | ||||
| 10 | L | 45.2 | Very low | 41.1 | Very low | 117 Ų | 117 | 133 Ų | 133 | 61% | 0.613 | 76% | 0.759 | S | S | * | * | cis | -129.5 | 138.7 | 15.2 | -69.5 | 165.8 | 0 | 0 | 0 | 112.9 | E12 | L10-E12 HydrophobicContact CB-CB 4.25Å; L10-E12 HydrophobicContact CB-CG 4.29Å; L10-E12 HydrophobicContact CD2-CG 4.3Å; L10-E12 PolarHBondContact O-N 2.76Å | ||
| 11 | D | 48.4 | Very low | 41.2 | Very low | 161 Ų | 161 | 137.3 Ų | 137.3 | 86% | 0.861 | 76% | 0.764 | S | S | * | * | trans | -91.3 | 31.8 | 173.8 | -156 | 14 | 0 | 0 | 0 | 111 | ||||
| 12 | E | 47.8 | Very low | 41.8 | Very low | 130 Ų | 130 | 133.7 Ų | 133.7 | 61% | 0.607 | 75% | 0.749 | S | S | * | * | trans | -115.6 | -26 | -162.1 | -61.1 | -168.6 | 149.3 | 0 | 0 | 114.5 | L10 L14 S15 | L10-E12 HydrophobicContact CB-CB 4.25Å; L10-E12 HydrophobicContact CB-CG 4.29Å; L10-E12 HydrophobicContact CD2-CG 4.3Å; L10-E12 PolarHBondContact O-N 2.76Å; E12-L14 VanDerWaalsContact C-N 3.34Å; E12-L14 PolarHBondContact O-N 3.39Å; E12-S15 PolarHBondContact O-N 2.84Å | ||
| 13 | E | 48.3 | Very low | 42.2 | Very low | 163 Ų | 163 | 132.4 Ų | 132.4 | 76% | 0.762 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.6 | -11.6 | -176.5 | -70.1 | -163.9 | 131.5 | 0 | 0 | 114.9 | S16 | E13-S16 PolarHBondContact O-OG 3.37Š|
| 14 | L | 48.7 | Very low | 42.2 | Very low | 158 Ų | 158 | 136.5 Ų | 136.5 | 83% | 0.827 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.6 | -9.8 | 174.6 | -69.2 | 176.7 | 0 | 0 | 0 | 113.8 | E12 | E12-L14 VanDerWaalsContact C-N 3.34Å; E12-L14 PolarHBondContact O-N 3.39Å |
| 15 | S | 45.1 | Very low | 42 | Very low | 79 Ų | 79 | 135.4 Ų | 135.4 | 55% | 0.552 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.5 | -27.2 | 176.3 | -164 | 0 | 0 | 0 | 0 | 112.5 | E12 F17 | E12-S15 PolarHBondContact O-N 2.84Å; S15-F17 PolarHBondContact O-N 2.77Å |
| 16 | S | 45.2 | Very low | 42.1 | Very low | 59 Ų | 59 | 138.4 Ų | 138.4 | 41% | 0.413 | 75% | 0.754 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75.3 | -21.8 | -172 | 55.2 | 0 | 0 | 0 | 0 | 115.3 | E13 | E13-S16 PolarHBondContact O-OG 3.37Š|
| 17 | F | 42.5 | Very low | 41.8 | Very low | 183 Ų | 183 | 135.4 Ų | 135.4 | 80% | 0.803 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.8 | -19.3 | 178.3 | -101.5 | -85.3 | 0 | 0 | 0 | 114.7 | S15 | S15-F17 PolarHBondContact O-N 2.77Š|
| 18 | F | 44.5 | Very low | 41.7 | Very low | 181 Ų | 181 | 136 Ų | 136 | 79% | 0.794 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.8 | -11.5 | -177.6 | -87 | -82.5 | 0 | 0 | 0 | 114.8 | ||
| 19 | L | 44.8 | Very low | 41.4 | Very low | 119 Ų | 119 | 135.4 Ų | 135.4 | 62% | 0.623 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.5 | -23.2 | -179.6 | -81.5 | 163.5 | 0 | 0 | 0 | 114.4 | Y21 | L19-Y21 PolarHBondContact O-N 3.35Š|
| 20 | N | 40.1 | Very low | 41.3 | Very low | 146 Ų | 146 | 133.8 Ų | 133.8 | 78% | 0.781 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | 9.5 | -178 | -81.5 | -20.2 | 0 | 0 | 0 | 115.3 | ||
| 21 | Y | 43.4 | Very low | 40.7 | Very low | 224 Ų | 224 | 131.3 Ų | 131.3 | 88% | 0.878 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.4 | 4.2 | 175.3 | -143.6 | -90.1 | 0 | 0 | 0 | 113.8 | L19 | L19-Y21 PolarHBondContact O-N 3.35Š|
| 22 | L | 45.8 | Very low | 40 | Very low | 164 Ų | 164 | 132.2 Ų | 132.2 | 86% | 0.859 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -130.2 | 9.3 | -178.2 | -83.5 | 170.8 | 0 | 0 | 0 | 113.9 | ||
| 23 | A | 43.1 | Very low | 39.7 | Very low | 80 Ų | 80 | 135 Ų | 135 | 66% | 0.661 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -139.8 | 49.6 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 24 | D | 31.7 | Very low | 39 | Very low | 147 Ų | 147 | 134.9 Ų | 134.9 | 79% | 0.786 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -147.5 | 147.3 | 154.3 | -140.9 | -23.4 | 0 | 0 | 0 | 113.5 | ||
| 25 | T | 34.9 | Very low | 38.5 | Very low | 126 Ų | 126 | 134.6 Ų | 134.6 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | trans | 62.4 | 50.4 | 172.2 | 64.4 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 26 | Q | 38.4 | Very low | 38.1 | Very low | 208 Ų | 208 | 141.1 Ų | 141.1 | 97% | 0.972 | 78% | 0.784 | S | S | * | * | trans | -82.8 | 111.6 | 135 | -174.1 | 177.4 | 42.3 | 0 | 0 | 107.5 | ||||
| 27 | G | 29.6 | Very low | 37.7 | Very low | 70 Ų | 70 | 141.4 Ų | 141.4 | 72% | 0.722 | 79% | 0.79 | S | S | * | * | trans | -149.9 | 107.2 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 28 | G | 30.1 | Very low | 37.7 | Very low | 85 Ų | 85 | 140.5 Ų | 140.5 | 88% | 0.876 | 79% | 0.793 | S | S | * | * | trans | -20.7 | 129.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 29 | G | 35.3 | Very low | 37.5 | Very low | 82 Ų | 82 | 141 Ų | 141 | 85% | 0.845 | 80% | 0.795 | S | S | * | * | trans | -91.1 | 168 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 30 | S | 35.2 | Very low | 37.8 | Very low | 127 Ų | 127 | 141.1 Ų | 141.1 | 89% | 0.888 | 80% | 0.803 | S | S | * | * | trans | -164.3 | 168.1 | 168.4 | 59.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 31 | G | 31.7 | Very low | 38.1 | Very low | 65 Ų | 65 | 143 Ų | 143 | 67% | 0.67 | 81% | 0.807 | S | S | * | * | trans | 91.3 | 80.7 | 165.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | E33 | G31-E33 PolarHBondContact O-N 3.27Š| ||
| 32 | E | 34.8 | Very low | 38.3 | Very low | 181 Ų | 181 | 140 Ų | 140 | 85% | 0.846 | 81% | 0.806 | S | S | * | * | trans | -44.2 | 123.9 | 137.1 | 57.5 | -135.3 | 92.9 | 0 | 0 | 112 | ||||
| 33 | E | 40 | Very low | 38.5 | Very low | 189 Ų | 189 | 136 Ų | 136 | 88% | 0.883 | 79% | 0.786 | S | S | * | * | trans | -170 | 127.8 | 139.3 | -111 | 174.5 | 178.9 | 0 | 0 | 114.1 | G31 | G31-E33 PolarHBondContact O-N 3.27Š| ||
| 34 | Q | 34.8 | Very low | 39 | Very low | 160 Ų | 160 | 138.5 Ų | 138.5 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | trans | -41.5 | 137.7 | 169.2 | -91.9 | 67.3 | -2.5 | 0 | 0 | 116.2 | ||||
| 35 | L | 38.6 | Very low | 39.9 | Very low | 152 Ų | 152 | 136.1 Ų | 136.1 | 80% | 0.796 | 78% | 0.782 | S | S | * | * | 174.8 | 127.1 | 96.8 | -79.8 | 178.7 | 0 | 0 | 0 | 107.7 | |||||
| 36 | Y | 35.2 | Very low | 40.7 | Very low | 216 Ų | 216 | 137.6 Ų | 137.6 | 85% | 0.847 | 78% | 0.78 | S | S | * | * | 70.7 | 123.7 | 56.8 | -154.7 | -84.3 | 0 | 0 | 0 | 112.8 | |||||
| 37 | A | 36.9 | Very low | 41.1 | Very low | 65 Ų | 65 | 133.8 Ų | 133.8 | 54% | 0.537 | 77% | 0.765 | S | S | . | * | cis | -162.9 | 158.4 | -16.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 38 | D | 42.1 | Very low | 41.9 | Very low | 163 Ų | 163 | 135.4 Ų | 135.4 | 87% | 0.872 | 76% | 0.758 | S | S | * | * | trans | -174 | 61.1 | 154.1 | -107.7 | -14.4 | 0 | 0 | 0 | 113.3 | ||||
| 39 | F | 40.7 | Very low | 43.2 | Very low | 191 Ų | 191 | 135.8 Ų | 135.8 | 84% | 0.838 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -137.4 | 134.6 | 152.5 | -86.2 | -81.4 | 0 | 0 | 0 | 107.4 | E41 | F39-E41 PolarHBondContact O-N 3.14Š|
| 40 | P | 51.6 | Low | 44 | Very low | 122 Ų | 122 | 135.5 Ų | 135.5 | 79% | 0.792 | 74% | 0.738 | S | S | * | * | trans | -71.6 | 114.2 | 179.7 | 28.1 | -33.1 | 0 | 0 | 0 | 110.2 | L42 | P40-L42 PolarHBondContact O-N 3.22Š| ||
| 41 | E | 45.4 | Very low | 44.9 | Very low | 185 Ų | 185 | 136.4 Ų | 136.4 | 86% | 0.864 | 73% | 0.732 | S | S | * | * | trans | -63.3 | 125.9 | 163.9 | -63.6 | -179.4 | 153.2 | 0 | 0 | 108.3 | F39 D43 | F39-E41 PolarHBondContact O-N 3.14Å; E41-D43 PolarHBondContact O-N 2.66Å; E41-D43 VanDerWaalsContact O-N 3.08Å | ||
| 42 | L | 47.8 | Very low | 45.9 | Very low | 161 Ų | 161 | 141.2 Ų | 141.2 | 84% | 0.843 | 74% | 0.735 | S | S | * | * | trans | -76.6 | 97 | 172.4 | -79.9 | 171.3 | 0 | 0 | 0 | 108.6 | P40 L44 | P40-L42 PolarHBondContact O-N 3.22Å; L42-L44 PolarHBondContact O-N 2.73Å | ||
| 43 | D | 50 | Low | 46.4 | Very low | 82 Ų | 82 | 138.4 Ų | 138.4 | 44% | 0.439 | 73% | 0.726 | S | S | . | * | trans | -65.9 | 95.7 | 177.5 | 178 | 19.5 | 0 | 0 | 0 | 111.5 | E41 S45 Q46 | E41-D43 PolarHBondContact O-N 2.66Å; E41-D43 VanDerWaalsContact O-N 3.08Å; D43-S45 VanDerWaalsContact CG-OG 3.31Å; D43-S45 PolarHBondContact O-N 2.75Å; D43-S45 WeakPolarHBondContact OD1-CB 3.1Å; D43-S45 PolarHBondContact OD1-N 3.25Å; D43-S45 PolarHBondContact OD1-OG 2.76Å; D43-S45 PolarHBondContact OD2-OG 2.8Å; D43-Q46 PolarHBondContact OD2-NE2 3.24Å | ||
| 44 | L | 53.8 | Low | 46.9 | Very low | 132 Ų | 132 | 133.9 Ų | 133.9 | 69% | 0.691 | 72% | 0.715 | S | S | * | * | G | 310 helix | trans | -78.9 | 2.1 | 175 | -63.9 | 178.5 | 0 | 0 | 0 | 113.4 | L42 Q46 L47 | L42-L44 PolarHBondContact O-N 2.73Å; L44-Q46 PolarHBondContact O-N 3.05Å; L44-L47 HydrophobicContact CD2-CD1 4.39Å; L44-L47 PolarHBondContact O-N 3.39Å |
| 45 | S | 51.2 | Low | 47.8 | Very low | 97 Ų | 97 | 129.9 Ų | 129.9 | 68% | 0.678 | 71% | 0.71 | S | S | * | * | G | 310 helix | trans | -74.3 | -9.6 | 174.4 | 76.7 | 0 | 0 | 0 | 0 | 113.7 | D43 | D43-S45 VanDerWaalsContact CG-OG 3.31Å; D43-S45 PolarHBondContact O-N 2.75Å; D43-S45 WeakPolarHBondContact OD1-CB 3.1Å; D43-S45 PolarHBondContact OD1-N 3.25Å; D43-S45 PolarHBondContact OD1-OG 2.76Å; D43-S45 PolarHBondContact OD2-OG 2.8Å |
| 46 | Q | 52.2 | Low | 48.5 | Very low | 157 Ų | 157 | 128.6 Ų | 128.6 | 73% | 0.734 | 71% | 0.708 | S | S | * | * | G | 310 helix | trans | -89.6 | 4.1 | 176.1 | -65.8 | 177.6 | 49.4 | 0 | 0 | 114 | D43 L44 D48 | D43-Q46 PolarHBondContact OD2-NE2 3.24Å; L44-Q46 PolarHBondContact O-N 3.05Å; Q46-D48 PolarHBondContact O-N 3.29Å |
| 47 | L | 47.1 | Very low | 48.9 | Very low | 127 Ų | 127 | 123.5 Ų | 123.5 | 67% | 0.665 | 70% | 0.703 | S | S | * | * | trans | -81.7 | 84.2 | 160.7 | -74.4 | 171.4 | 0 | 0 | 0 | 108.8 | L44 A49 | L44-L47 HydrophobicContact CD2-CD1 4.39Å; L44-L47 PolarHBondContact O-N 3.39Å; L47-A49 PolarHBondContact O-N 3.26Å | ||
| 48 | D | 46.3 | Very low | 49.3 | Very low | 104 Ų | 104 | 129.6 Ų | 129.6 | 56% | 0.556 | 72% | 0.718 | S | S | * | * | trans | -64.3 | 135 | 169 | -173.4 | 15.4 | 0 | 0 | 0 | 109.6 | Q46 S50 D51 | Q46-D48 PolarHBondContact O-N 3.29Å; D48-S50 VanDerWaalsContact CG-OG 3.3Å; D48-S50 PolarHBondContact O-N 3.36Å; D48-S50 VanDerWaalsContact O-N 3.14Å; D48-S50 PolarHBondContact OD1-N 3.31Å; D48-S50 WeakPolarHBondContact OD2-CB 3.42Å; D48-S50 PolarHBondContact OD2-OG 3.36Å; D48-D51 PolarHBondContact O-N 3.12Å | ||
| 49 | A | 57.1 | Low | 49.4 | Very low | 94 Ų | 94 | 124.5 Ų | 124.5 | 78% | 0.777 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.1 | 1.5 | -179 | 0 | 0 | 0 | 0 | 0 | 113 | L47 | L47-A49 PolarHBondContact O-N 3.26Š|
| 50 | S | 52.7 | Low | 49.7 | Very low | 75 Ų | 75 | 124.6 Ų | 124.6 | 52% | 0.524 | 71% | 0.707 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.6 | -25.3 | 175.8 | 73.3 | 0 | 0 | 0 | 0 | 114.2 | D48 F52 | D48-S50 VanDerWaalsContact CG-OG 3.3Å; D48-S50 PolarHBondContact O-N 3.36Å; D48-S50 VanDerWaalsContact O-N 3.14Å; D48-S50 PolarHBondContact OD1-N 3.31Å; D48-S50 WeakPolarHBondContact OD2-CB 3.42Å; D48-S50 PolarHBondContact OD2-OG 3.36Å; S50-F52 PolarHBondContact O-N 3.43Å; S50-F52 VanDerWaalsContact O-N 3.17Å |
| 51 | D | 53.1 | Low | 49.4 | Very low | 146 Ų | 146 | 125.5 Ų | 125.5 | 78% | 0.781 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | 1 | -178.7 | -92.8 | -15.2 | 0 | 0 | 0 | 114 | D48 | D48-D51 PolarHBondContact O-N 3.12Š|
| 52 | F | 53.8 | Low | 48.8 | Very low | 166 Ų | 166 | 124.3 Ų | 124.3 | 73% | 0.728 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112 | 42.8 | 173.6 | -82.9 | -79.6 | 0 | 0 | 0 | 112.7 | S50 S54 | S50-F52 PolarHBondContact O-N 3.43Å; S50-F52 VanDerWaalsContact O-N 3.17Å; F52-S54 PolarHBondContact O-N 3.1Å; F52-S54 PolarHBondContact O-OG 3.25Å; F52-S54 VanDerWaalsContact O-OG 3.07Å |
| 53 | D | 43.6 | Very low | 48.8 | Very low | 122 Ų | 122 | 127.7 Ų | 127.7 | 65% | 0.652 | 70% | 0.701 | S | S | * | * | trans | -60.3 | 108.3 | 166.7 | -169.2 | -8.1 | 0 | 0 | 0 | 109.7 | A55 | D53-A55 PolarHBondContact O-N 3.29Å; D53-A55 WeakPolarHBondContact OD1-CB 3.23Å; D53-A55 PolarHBondContact OD1-N 3.42Å | ||
| 54 | S | 51.9 | Low | 47.9 | Very low | 94 Ų | 94 | 128 Ų | 128 | 66% | 0.657 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | 5.8 | -167.8 | -57.9 | 0 | 0 | 0 | 0 | 113.3 | F52 | F52-S54 PolarHBondContact O-N 3.1Å; F52-S54 PolarHBondContact O-OG 3.25Å; F52-S54 VanDerWaalsContact O-OG 3.07Å |
| 55 | A | 52.1 | Low | 47 | Very low | 76 Ų | 76 | 127 Ų | 127 | 63% | 0.628 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.1 | -21.7 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | D53 | D53-A55 PolarHBondContact O-N 3.29Å; D53-A55 WeakPolarHBondContact OD1-CB 3.23Å; D53-A55 PolarHBondContact OD1-N 3.42Å |
| 56 | T | 53.2 | Low | 45.8 | Very low | 126 Ų | 126 | 131.8 Ų | 131.8 | 77% | 0.773 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -108.7 | -11.6 | -171.1 | 37.7 | 0 | 0 | 0 | 0 | 115.9 | ||
| 57 | C | 44.8 | Very low | 44.9 | Very low | 109 Ų | 109 | 130.8 Ų | 130.8 | 74% | 0.736 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.5 | 0.7 | -179.6 | -153.8 | 0 | 0 | 0 | 0 | 114.6 | ||
| 58 | F | 44.2 | Very low | 44.5 | Very low | 192 Ų | 192 | 129.6 Ų | 129.6 | 84% | 0.842 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.4 | 23.5 | 178.6 | -77.2 | -76.3 | 0 | 0 | 0 | 113.4 | ||
| 59 | G | 44.8 | Very low | 43.8 | Very low | 57 Ų | 57 | 133.3 Ų | 133.3 | 59% | 0.588 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -83.9 | -28.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 60 | E | 47.5 | Very low | 42.9 | Very low | 192 Ų | 192 | 135.3 Ų | 135.3 | 90% | 0.897 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -102.6 | 9 | -163.5 | -63.8 | -171.4 | 131.9 | 0 | 0 | 115.6 | ||
| 61 | L | 45.6 | Very low | 41.9 | Very low | 141 Ų | 141 | 140.4 Ų | 140.4 | 74% | 0.738 | 76% | 0.755 | S | S | * | * | trans | -125.9 | 52.5 | 173.3 | -73.5 | 177.1 | 0 | 0 | 0 | 112.1 | W63 | L61-W63 PolarHBondContact O-N 2.96Š| ||
| 62 | Q | 32 | Very low | 41.8 | Very low | 160 Ų | 160 | 137.4 Ų | 137.4 | 75% | 0.748 | 74% | 0.744 | S | S | * | * | trans | -71.1 | 81.1 | 165 | -172.5 | 174.5 | -0.3 | 0 | 0 | 110.3 | C64 | Q62-C64 HydrophobicContact CG-CB 4.28Å; Q62-C64 VanDerWaalsContact CG-SG 3.56Å; Q62-C64 PolarHBondContact NE2-SG 3.13Å; Q62-C64 PolarHBondContact O-N 2.97Å; Q62-C64 VanDerWaalsContact O-N 3.07Å | ||
| 63 | W | 47.7 | Very low | 40.7 | Very low | 233 Ų | 233 | 136 Ų | 136 | 88% | 0.883 | 74% | 0.744 | S | S | * | * | trans | -63.6 | 105.2 | 161.8 | -74.5 | 86.4 | 0 | 0 | 0 | 108.8 | L61 | L61-W63 PolarHBondContact O-N 2.96Š| ||
| 64 | C | 31.4 | Very low | 40.1 | Very low | 88 Ų | 88 | 139.4 Ų | 139.4 | 60% | 0.595 | 76% | 0.756 | S | S | * | * | trans | -126.5 | 154.8 | 174.1 | -87.3 | 0 | 0 | 0 | 0 | 111 | Q62 | Q62-C64 HydrophobicContact CG-CB 4.28Å; Q62-C64 VanDerWaalsContact CG-SG 3.56Å; Q62-C64 PolarHBondContact NE2-SG 3.13Å; Q62-C64 PolarHBondContact O-N 2.97Å; Q62-C64 VanDerWaalsContact O-N 3.07Å | ||
| 65 | P | 34.2 | Very low | 39.1 | Very low | 112 Ų | 112 | 146.2 Ų | 146.2 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | trans | -93.2 | 141.8 | -144.6 | 33.9 | -35.2 | 0 | 0 | 0 | 113.7 | N67 | P65-N67 PolarHBondContact O-N 2.59Š| ||
| 66 | E | 26.1 | Very low | 38.1 | Very low | 196 Ų | 196 | 147.8 Ų | 147.8 | 92% | 0.916 | 78% | 0.776 | S | S | * | * | trans | -76.6 | 89.3 | 172.4 | -171.9 | 163.1 | -157.3 | 0 | 0 | 110.8 | ||||
| 67 | N | 32.9 | Very low | 37.7 | Very low | 137 Ų | 137 | 147.8 Ų | 147.8 | 73% | 0.733 | 78% | 0.778 | S | S | * | * | trans | -125.9 | 98.6 | 170.2 | -98.8 | 8 | 0 | 0 | 0 | 110.1 | P65 | P65-N67 PolarHBondContact O-N 2.59Š| ||
| 68 | S | 39.8 | Very low | 37.4 | Very low | 101 Ų | 101 | 149.2 Ų | 149.2 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | trans | 65.7 | 158.9 | 139.5 | 59.4 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 69 | E | 30.6 | Very low | 36.8 | Very low | 182 Ų | 182 | 147.8 Ų | 147.8 | 85% | 0.85 | 78% | 0.779 | S | S | * | * | trans | 85.2 | 93 | 160.5 | -48.1 | -160.4 | 142.5 | 0 | 0 | 118.3 | ||||
| 70 | T | 38 | Very low | 37.1 | Very low | 137 Ų | 137 | 150.4 Ų | 150.4 | 84% | 0.84 | 79% | 0.788 | S | S | * | * | trans | -87.7 | 129.8 | 159 | 47.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 71 | E | 33.6 | Very low | 37.2 | Very low | 181 Ų | 181 | 150.6 Ų | 150.6 | 85% | 0.846 | 79% | 0.789 | S | S | * | * | trans | -165.5 | 162.7 | 156.4 | -99.6 | -63.8 | 84.3 | 0 | 0 | 107.2 | ||||
| 72 | P | 49.4 | Very low | 37.2 | Very low | 84 Ų | 84 | 150.9 Ų | 150.9 | 55% | 0.545 | 79% | 0.791 | S | S | . | * | -134.2 | -178 | -127.3 | 39.3 | -20.5 | 0 | 0 | 0 | 117.2 | |||||
| 73 | N | 31.9 | Very low | 37.5 | Very low | 136 Ų | 136 | 152 Ų | 152 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | trans | 69 | 113.8 | 158.5 | -58.5 | -33.9 | 0 | 0 | 0 | 119.2 | ||||
| 74 | Q | 31.1 | Very low | 37.3 | Very low | 193 Ų | 193 | 149.9 Ų | 149.9 | 90% | 0.902 | 79% | 0.793 | S | S | * | * | 177.3 | 126.4 | 104.6 | -93.3 | 150.1 | 106.9 | 0 | 0 | 111.1 | |||||
| 75 | Y | 31.2 | Very low | 38 | Very low | 238 Ų | 238 | 151 Ų | 151 | 93% | 0.933 | 79% | 0.792 | S | S | * | * | trans | -96.2 | 148.2 | 167.6 | -94 | -89.5 | 0 | 0 | 0 | 110.7 | ||||
| 76 | S | 30.4 | Very low | 38.5 | Very low | 109 Ų | 109 | 150.6 Ų | 150.6 | 76% | 0.762 | 78% | 0.784 | S | S | * | * | trans | -91.9 | 140.3 | 177.3 | -168.1 | 0 | 0 | 0 | 0 | 110.7 | D78 | S76-D78 PolarHBondContact O-N 2.83Š| ||
| 77 | P | 45.1 | Very low | 40 | Very low | 126 Ų | 126 | 145.6 Ų | 145.6 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -95.6 | 71.1 | -172.4 | 37.7 | -35.9 | 0 | 0 | 0 | 112.9 | ||
| 78 | D | 38.1 | Very low | 41.2 | Very low | 138 Ų | 138 | 146.6 Ų | 146.6 | 74% | 0.738 | 77% | 0.771 | S | S | * | * | trans | -161 | 95.7 | 163.2 | -130.5 | -18.6 | 0 | 0 | 0 | 111.6 | S76 | S76-D78 PolarHBondContact O-N 2.83Š| ||
| 79 | D | 32.4 | Very low | 42.1 | Very low | 163 Ų | 163 | 145.5 Ų | 145.5 | 87% | 0.872 | 76% | 0.757 | S | S | * | * | trans | -160.4 | 91.2 | 163.8 | -106.7 | -32.7 | 0 | 0 | 0 | 107.9 | ||||
| 80 | S | 50.7 | Low | 44 | Very low | 111 Ų | 111 | 143 Ų | 143 | 78% | 0.776 | 75% | 0.746 | S | S | * | * | trans | -99.8 | 25.3 | -164.4 | -63 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 81 | E | 48.8 | Very low | 45.6 | Very low | 196 Ų | 196 | 139.6 Ų | 139.6 | 92% | 0.916 | 73% | 0.731 | S | S | * | * | trans | -119.4 | 18.9 | -175.1 | -62.9 | -165.7 | 161.4 | 0 | 0 | 114.7 | ||||
| 82 | L | 45 | Very low | 47.3 | Very low | 148 Ų | 148 | 136 Ų | 136 | 78% | 0.775 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -105.9 | 8.3 | -177.8 | -147.3 | 81.8 | 0 | 0 | 0 | 115.8 | ||
| 83 | F | 38.7 | Very low | 48.6 | Very low | 183 Ų | 183 | 136.4 Ų | 136.4 | 80% | 0.803 | 71% | 0.714 | S | S | * | * | trans | -132.1 | 74 | -178.3 | -65.9 | -72 | 0 | 0 | 0 | 112.5 | ||||
| 84 | Q | 44.7 | Very low | 50.6 | Low | 188 Ų | 188 | 132.8 Ų | 132.8 | 88% | 0.879 | 70% | 0.704 | S | S | * | * | trans | -91.5 | 98.9 | 158.9 | -170.5 | 142.4 | 31.4 | 0 | 0 | 107.7 | D86 | Q84-D86 PolarHBondContact O-N 2.76Š| ||
| 85 | I | 46.1 | Very low | 52.7 | Low | 111 Ų | 111 | 129.3 Ų | 129.3 | 57% | 0.569 | 69% | 0.687 | S | S | * | * | trans | -73.2 | 123.2 | 179.3 | -60.1 | 171.7 | 0 | 0 | 0 | 108.1 | S87 N89 | I85-S87 PolarHBondContact O-N 3.47Å; I85-N89 HydrophobicContact CG2-CB 4.16Å | ||
| 86 | D | 44.5 | Very low | 54.7 | Low | 104 Ų | 104 | 122.6 Ų | 122.6 | 56% | 0.556 | 67% | 0.667 | S | S | * | * | trans | -61.7 | 130.7 | 174.7 | -58.1 | -64.8 | 0 | 0 | 0 | 110.1 | Q84 E88 N89 | Q84-D86 PolarHBondContact O-N 2.76Å; D86-E88 PolarHBondContact O-N 3.17Å; D86-N89 WeakPolarHBondContact O-CB 3.44Å; D86-N89 PolarHBondContact O-N 2.74Å | ||
| 87 | S | 56.6 | Low | 56.9 | Low | 92 Ų | 92 | 120.9 Ų | 120.9 | 64% | 0.643 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -63.4 | -13.4 | -169.3 | 54.3 | 0 | 0 | 0 | 0 | 114.7 | I85 | I85-S87 PolarHBondContact O-N 3.47Å |
| 88 | E | 58 | Low | 58.4 | Low | 158 Ų | 158 | 120.6 Ų | 120.6 | 74% | 0.738 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -66.2 | -40.8 | 170.9 | -54.4 | 179.4 | -125.1 | 0 | 0 | 111.2 | D86 L92 | D86-E88 PolarHBondContact O-N 3.17Å; E88-L92 PolarHBondContact O-N 2.83Å |
| 89 | N | 59.1 | Low | 59.9 | Low | 77 Ų | 77 | 117.7 Ų | 117.7 | 41% | 0.412 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -75.3 | -25.8 | 177.4 | -65.7 | -60.7 | 0 | 0 | 0 | 112.1 | I85 D86 L92 L93 | I85-N89 HydrophobicContact CG2-CB 4.16Å; D86-N89 WeakPolarHBondContact O-CB 3.44Å; D86-N89 PolarHBondContact O-N 2.74Å; N89-L92 PolarHBondContact O-N 2.67Å; N89-L93 VanDerWaalsContact O-CB 3.26Å; N89-L93 WeakPolarHBondContact O-CB 3.36Å; N89-L93 VanDerWaalsContact O-CG 3.25Å; N89-L93 WeakPolarHBondContact O-CG 3.48Å; N89-L93 PolarHBondContact O-N 3.43Å |
| 90 | E | 71.4 | Confident | 61.6 | Low | 130 Ų | 130 | 115.4 Ų | 115.4 | 61% | 0.607 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -62.3 | -42.3 | 174.8 | -171.7 | 177.9 | -172 | 0 | 0 | 111.3 | A94 | E90-A94 VanDerWaalsContact O-CB 3.23Å; E90-A94 WeakPolarHBondContact O-CB 3.5Å; E90-A94 PolarHBondContact O-N 2.7Å |
| 91 | A | 70.6 | Confident | 62.4 | Low | 65 Ų | 65 | 116.4 Ų | 116.4 | 54% | 0.537 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -64.7 | -45.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | A94 E95 | A91-A94 PolarHBondContact O-N 3.26Å; A91-E95 WeakPolarHBondContact O-CB 3.41Å; A91-E95 PolarHBondContact O-N 3.39Å |
| 92 | L | 69.6 | Low | 62.8 | Low | 106 Ų | 106 | 112.9 Ų | 112.9 | 56% | 0.555 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -64.8 | -39.1 | 177.9 | -106.1 | 167.5 | 0 | 0 | 0 | 112.6 | E88 N89 L96 | E88-L92 PolarHBondContact O-N 2.83Å; N89-L92 PolarHBondContact O-N 2.67Å; L92-L96 WeakPolarHBondContact O-CB 3.38Å; L92-L96 VanDerWaalsContact O-CG 3.31Å; L92-L96 WeakPolarHBondContact O-CG 3.36Å; L92-L96 PolarHBondContact O-N 3.09Å |
| 93 | L | 75.9 | Confident | 63.4 | Low | 92 Ų | 92 | 110.7 Ų | 110.7 | 48% | 0.482 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -70.2 | -38.5 | 174.7 | -74.4 | 168.4 | 0 | 0 | 0 | 111.9 | N89 L96 T97 | N89-L93 VanDerWaalsContact O-CB 3.26Å; N89-L93 WeakPolarHBondContact O-CB 3.36Å; N89-L93 VanDerWaalsContact O-CG 3.25Å; N89-L93 WeakPolarHBondContact O-CG 3.48Å; N89-L93 PolarHBondContact O-N 3.43Å; L93-L96 PolarHBondContact O-N 3.45Å; L93-T97 VanDerWaalsContact O-CB 3.29Å; L93-T97 WeakPolarHBondContact O-CB 3.34Å; L93-T97 PolarHBondContact O-N 3.5Å; L93-T97 PolarHBondContact O-OG1 2.76Å |
| 94 | A | 74.9 | Confident | 64.3 | Low | 61 Ų | 61 | 106.8 Ų | 106.8 | 50% | 0.504 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -64 | -41 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | E90 A91 K98 | E90-A94 VanDerWaalsContact O-CB 3.23Å; E90-A94 WeakPolarHBondContact O-CB 3.5Å; E90-A94 PolarHBondContact O-N 2.7Å; A91-A94 PolarHBondContact O-N 3.26Å; A94-K98 VanDerWaalsContact O-CB 3.28Å; A94-K98 WeakPolarHBondContact O-CB 3.39Å; A94-K98 PolarHBondContact O-N 3.19Å |
| 95 | E | 75.6 | Confident | 64.7 | Low | 119 Ų | 119 | 107 Ų | 107 | 56% | 0.556 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -70.6 | -41.1 | 176.9 | -170.4 | 147.7 | -126 | 0 | 0 | 112.2 | A91 K98 T99 | A91-E95 WeakPolarHBondContact O-CB 3.41Å; A91-E95 PolarHBondContact O-N 3.39Å; E95-K98 WeakPolarHBondContact O-CB 3.45Å; E95-K98 PolarHBondContact O-N 3.03Å; E95-T99 WeakPolarHBondContact O-CG2 3.38Å; E95-T99 PolarHBondContact O-N 3.47Å; E95-T99 PolarHBondContact O-OG1 2.83Å |
| 96 | L | 73.1 | Confident | 64.7 | Low | 97 Ų | 97 | 108.6 Ų | 108.6 | 51% | 0.508 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -62.6 | -42.4 | 172.5 | -77.9 | 167.9 | 0 | 0 | 0 | 112.5 | L92 L93 T99 L100 | L92-L96 WeakPolarHBondContact O-CB 3.38Å; L92-L96 VanDerWaalsContact O-CG 3.31Å; L92-L96 WeakPolarHBondContact O-CG 3.36Å; L92-L96 PolarHBondContact O-N 3.09Å; L93-L96 PolarHBondContact O-N 3.45Å; L96-T99 WeakPolarHBondContact CA-OG1 3.36Å; L96-T99 PolarHBondContact O-N 2.99Å; L96-T99 PolarHBondContact O-OG1 3.47Å; L96-L100 PolarHBondContact O-N 3.11Å; L96-L100 VanDerWaalsContact O-N 3.15Å |
| 97 | T | 75.4 | Confident | 65.2 | Low | 73 Ų | 73 | 111.3 Ų | 111.3 | 45% | 0.448 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -64.1 | -43.1 | 176.9 | -53.6 | 0 | 0 | 0 | 0 | 110.6 | L93 T99 L100 D101 | L93-T97 VanDerWaalsContact O-CB 3.29Å; L93-T97 WeakPolarHBondContact O-CB 3.34Å; L93-T97 PolarHBondContact O-N 3.5Å; L93-T97 PolarHBondContact O-OG1 2.76Å; T97-T99 VanDerWaalsContact C-N 3.33Å; T97-T99 PolarHBondContact O-N 3.45Å; T97-L100 WeakPolarHBondContact O-CA 3.43Å; T97-L100 WeakPolarHBondContact O-CB 3.34Å; T97-L100 PolarHBondContact O-N 3.47Å; T97-D101 PolarHBondContact O-N 3.33Å |
| 98 | K | 77.1 | Confident | 64.7 | Low | 120 Ų | 120 | 113.3 Ų | 113.3 | 52% | 0.522 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -58.6 | -41.3 | 172.7 | 178.6 | -170.8 | 166.9 | -156.7 | 0 | 112.3 | A94 E95 L100 D101 D102 | A94-K98 VanDerWaalsContact O-CB 3.28Å; A94-K98 WeakPolarHBondContact O-CB 3.39Å; A94-K98 PolarHBondContact O-N 3.19Å; E95-K98 WeakPolarHBondContact O-CB 3.45Å; E95-K98 PolarHBondContact O-N 3.03Å; K98-L100 PolarHBondContact O-N 2.9Å; K98-D101 PolarHBondContact O-N 3.09Å; K98-D102 PolarHBondContact O-N 2.9Å |
| 99 | T | 70.8 | Confident | 63.9 | Low | 78 Ų | 78 | 108.5 Ų | 108.5 | 48% | 0.479 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -69.9 | -12.8 | 174.9 | 58.5 | 0 | 0 | 0 | 0 | 114.5 | E95 L96 T97 | E95-T99 WeakPolarHBondContact O-CG2 3.38Å; E95-T99 PolarHBondContact O-N 3.47Å; E95-T99 PolarHBondContact O-OG1 2.83Å; L96-T99 WeakPolarHBondContact CA-OG1 3.36Å; L96-T99 PolarHBondContact O-N 2.99Å; L96-T99 PolarHBondContact O-OG1 3.47Å; T97-T99 VanDerWaalsContact C-N 3.33Å; T97-T99 PolarHBondContact O-N 3.45Å |
| 100 | L | 67.3 | Low | 63.1 | Low | 114 Ų | 114 | 113.9 Ų | 113.9 | 60% | 0.597 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -90.2 | -38.2 | 170.8 | -70.6 | 165 | 0 | 0 | 0 | 111.4 | L96 T97 K98 D102 I103 | L96-L100 PolarHBondContact O-N 3.11Å; L96-L100 VanDerWaalsContact O-N 3.15Å; T97-L100 WeakPolarHBondContact O-CA 3.43Å; T97-L100 WeakPolarHBondContact O-CB 3.34Å; T97-L100 PolarHBondContact O-N 3.47Å; K98-L100 PolarHBondContact O-N 2.9Å; L100-D102 VanDerWaalsContact C-N 3.29Å; L100-D102 PolarHBondContact O-N 2.66Å; L100-I103 HydrophobicContact CD2-CD1 3.98Å; L100-I103 WeakPolarHBondContact O-CB 3.41Å; L100-I103 WeakPolarHBondContact O-CG1 3.44Å; L100-I103 PolarHBondContact O-N 2.71Å; L100-I103 VanDerWaalsContact O-N 3.17Å |
| 101 | D | 67.3 | Low | 61.7 | Low | 133 Ų | 133 | 112.3 Ų | 112.3 | 71% | 0.711 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -65.8 | -28.2 | 172.3 | -76.7 | -14.5 | 0 | 0 | 0 | 112.7 | T97 K98 I103 | T97-D101 PolarHBondContact O-N 3.33Å; K98-D101 PolarHBondContact O-N 3.09Å; D101-I103 PolarHBondContact O-N 2.96Å |
| 102 | D | 57 | Low | 60.1 | Low | 122 Ų | 122 | 113.6 Ų | 113.6 | 65% | 0.652 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.9 | 1.4 | 173.4 | -86.7 | -37.3 | 0 | 0 | 0 | 113.5 | K98 L100 P104 | K98-D102 PolarHBondContact O-N 2.9Å; L100-D102 VanDerWaalsContact C-N 3.29Å; L100-D102 PolarHBondContact O-N 2.66Å; D102-P104 WeakPolarHBondContact O-CD 3.38Å |
| 103 | I | 58.3 | Low | 58.4 | Low | 102 Ų | 102 | 118.6 Ų | 118.6 | 52% | 0.523 | 67% | 0.669 | S | S | . | * | S | Bend | trans | -84.2 | 115.8 | 169.9 | -57.1 | 177.7 | 0 | 0 | 0 | 108.7 | L100 D101 E105 | L100-I103 HydrophobicContact CD2-CD1 3.98Å; L100-I103 WeakPolarHBondContact O-CB 3.41Å; L100-I103 WeakPolarHBondContact O-CG1 3.44Å; L100-I103 PolarHBondContact O-N 2.71Å; L100-I103 VanDerWaalsContact O-N 3.17Å; D101-I103 PolarHBondContact O-N 2.96Å; I103-E105 PolarHBondContact O-N 2.72Å |
| 104 | P | 57.1 | Low | 56.9 | Low | 101 Ų | 101 | 120.2 Ų | 120.2 | 66% | 0.656 | 69% | 0.685 | S | S | * | * | trans | -67.1 | 122.3 | 177.3 | 27.2 | -33.6 | 0 | 0 | 0 | 111 | D102 D106 | D102-P104 WeakPolarHBondContact O-CD 3.38Å; P104-D106 VanDerWaalsContact C-N 3.33Å; P104-D106 PolarHBondContact O-N 3.35Å | ||
| 105 | E | 52.4 | Low | 55.1 | Low | 193 Ų | 193 | 121.4 Ų | 121.4 | 90% | 0.902 | 70% | 0.695 | S | S | * | * | trans | -68.6 | 89 | 167.9 | -69.2 | -167.3 | -120 | 0 | 0 | 109.9 | I103 D107 | I103-E105 PolarHBondContact O-N 2.72Å; E105-D107 PolarHBondContact O-N 2.86Å | ||
| 106 | D | 47.1 | Very low | 53.2 | Low | 143 Ų | 143 | 123.8 Ų | 123.8 | 77% | 0.765 | 71% | 0.711 | S | S | * | * | trans | -68 | 97.4 | 175.3 | -104.4 | -21.1 | 0 | 0 | 0 | 110.5 | P104 V108 | P104-D106 VanDerWaalsContact C-N 3.33Å; P104-D106 PolarHBondContact O-N 3.35Å; D106-V108 VanDerWaalsContact C-N 3.33Å; D106-V108 PolarHBondContact O-N 2.81Å | ||
| 107 | D | 53.9 | Low | 51.3 | Low | 161 Ų | 161 | 126.7 Ų | 126.7 | 86% | 0.861 | 73% | 0.727 | S | S | * | * | trans | -68.3 | 73.3 | -171.2 | -147.6 | -8.6 | 0 | 0 | 0 | 113.2 | E105 G109 | E105-D107 PolarHBondContact O-N 2.86Å; D107-G109 PolarHBondContact O-N 2.66Å | ||
| 108 | V | 46.8 | Very low | 49.4 | Very low | 134 Ų | 134 | 126.3 Ų | 126.3 | 81% | 0.812 | 74% | 0.737 | S | S | * | * | trans | -92.7 | 82 | 178.7 | -175.4 | 0 | 0 | 0 | 0 | 110.8 | D106 | D106-V108 VanDerWaalsContact C-N 3.33Å; D106-V108 PolarHBondContact O-N 2.81Å | ||
| 109 | G | 40.4 | Very low | 47.3 | Very low | 57 Ų | 57 | 124.4 Ų | 124.4 | 59% | 0.588 | 75% | 0.751 | S | S | * | * | trans | -63.1 | 149 | -169.8 | 0 | 0 | 0 | 0 | 0 | 117.6 | D107 A111 | D107-G109 PolarHBondContact O-N 2.66Å; G109-A111 PolarHBondContact O-N 2.91Å | ||
| 110 | L | 43.5 | Very low | 45.5 | Very low | 191 Ų | 191 | 128.8 Ų | 128.8 | 100% | 1 | 77% | 0.772 | S | S | * | * | trans | -69.8 | 81.7 | 177.9 | -68 | 168.1 | 0 | 0 | 0 | 112.9 | ||||
| 111 | A | 42.3 | Very low | 43.8 | Very low | 96 Ų | 96 | 127.6 Ų | 127.6 | 79% | 0.793 | 78% | 0.778 | S | S | * | * | trans | -139.5 | 57.3 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | G109 | G109-A111 PolarHBondContact O-N 2.91Š| ||
| 112 | A | 36.2 | Very low | 42.1 | Very low | 92 Ų | 92 | 129 Ų | 129 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | trans | -145 | 28.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | P114 | A112-P114 WeakPolarHBondContact O-CD 3.18Š| ||
| 113 | F | 33.8 | Very low | 40.7 | Very low | 212 Ų | 212 | 128.2 Ų | 128.2 | 93% | 0.93 | 79% | 0.789 | S | S | * | * | trans | -104.2 | 107.8 | 169.7 | -77 | -70.2 | 0 | 0 | 0 | 112 | ||||
| 114 | P | 45.2 | Very low | 39.1 | Very low | 125 Ų | 125 | 129 Ų | 129 | 81% | 0.812 | 80% | 0.802 | S | S | * | * | trans | -76 | 128.4 | 157.8 | 31.4 | -30.3 | 0 | 0 | 0 | 109.5 | A112 | A112-P114 WeakPolarHBondContact O-CD 3.18Š| ||
| 115 | A | 36.9 | Very low | 37.6 | Very low | 87 Ų | 87 | 130.2 Ų | 130.2 | 72% | 0.719 | 81% | 0.808 | S | S | * | * | trans | -93.7 | 178 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 116 | L | 35.7 | Very low | 36.4 | Very low | 169 Ų | 169 | 126.6 Ų | 126.6 | 89% | 0.885 | 80% | 0.804 | S | S | * | * | trans | 75 | 150.4 | -178.3 | -44.8 | 173.2 | 0 | 0 | 0 | 113.2 | ||||
| 117 | D | 33.7 | Very low | 35.3 | Very low | 158 Ų | 158 | 124.4 Ų | 124.4 | 85% | 0.845 | 81% | 0.806 | S | S | * | * | cis | -136.8 | 171.3 | 6.1 | -160.3 | 2.9 | 0 | 0 | 0 | 111 | ||||
| 118 | G | 34.9 | Very low | 34.5 | Very low | 65 Ų | 65 | 122.3 Ų | 122.3 | 67% | 0.67 | 80% | 0.804 | S | S | * | * | trans | -106.1 | 176.7 | 180 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 119 | G | 32.8 | Very low | 34.4 | Very low | 79 Ų | 79 | 122.1 Ų | 122.1 | 81% | 0.814 | 81% | 0.805 | S | S | * | * | trans | 110.5 | 132.3 | 165.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 120 | D | 32.9 | Very low | 34.3 | Very low | 171 Ų | 171 | 123.6 Ų | 123.6 | 91% | 0.914 | 81% | 0.812 | S | S | * | * | trans | -70.3 | 146.6 | 177.8 | -52.2 | -93.8 | 0 | 0 | 0 | 114.1 | ||||
| 121 | A | 32.4 | Very low | 34.9 | Very low | 89 Ų | 89 | 120.3 Ų | 120.3 | 74% | 0.736 | 80% | 0.802 | S | S | * | * | trans | -172.8 | 122.3 | 136.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 122 | L | 29.8 | Very low | 34.3 | Very low | 162 Ų | 162 | 121.1 Ų | 121.1 | 85% | 0.848 | 80% | 0.802 | S | S | * | * | trans | 60.1 | 97.5 | 135.5 | -58.4 | 173 | 0 | 0 | 0 | 122.3 | ||||
| 123 | S | 27.5 | Very low | 34.6 | Very low | 106 Ų | 106 | 122 Ų | 122 | 74% | 0.741 | 80% | 0.802 | S | S | * | * | 27.1 | 128.1 | 118.3 | -49.3 | 0 | 0 | 0 | 0 | 123 | |||||
| 124 | C | 25.6 | Very low | 34.5 | Very low | 117 Ų | 117 | 116.4 Ų | 116.4 | 79% | 0.791 | 80% | 0.795 | S | S | * | * | trans | 61.7 | 145.6 | 132.8 | -62.2 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 125 | T | 25.4 | Very low | 34.6 | Very low | 127 Ų | 127 | 116 Ų | 116 | 78% | 0.779 | 79% | 0.793 | S | S | * | * | cis | -168 | 158.8 | 6.5 | 7.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 126 | S | 27 | Very low | 35.1 | Very low | 117 Ų | 117 | 116.9 Ų | 116.9 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | 56 | 119.1 | 145.3 | 174.9 | 0 | 0 | 0 | 0 | 122 | ||||
| 127 | A | 25.2 | Very low | 34.9 | Very low | 97 Ų | 97 | 114.2 Ų | 114.2 | 80% | 0.802 | 79% | 0.787 | S | S | * | * | 174 | 144.3 | 113.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 128 | S | 35.8 | Very low | 35.5 | Very low | 117 Ų | 117 | 112.3 Ų | 112.3 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | trans | -108.7 | 161.8 | 170.1 | -46.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 129 | P | 45.9 | Very low | 35.2 | Very low | 130 Ų | 130 | 115 Ų | 115 | 84% | 0.844 | 79% | 0.786 | S | S | * | * | -152.4 | 177 | 98 | 39.5 | -21.2 | 0 | 0 | 0 | 116.5 | |||||
| 130 | A | 37.8 | Very low | 35.9 | Very low | 88 Ų | 88 | 116.6 Ų | 116.6 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | trans | -89.7 | -175.3 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 131 | P | 56.4 | Low | 35.6 | Very low | 123 Ų | 123 | 117 Ų | 117 | 80% | 0.799 | 78% | 0.779 | S | S | * | * | cis | -151.6 | -170.8 | 26.3 | 43.4 | -20.7 | 0 | 0 | 0 | 119.1 | ||||
| 132 | S | 30.4 | Very low | 35.3 | Very low | 113 Ų | 113 | 122 Ų | 122 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | trans | 106 | 157.8 | 142.5 | -151.5 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 133 | S | 42.3 | Very low | 35.8 | Very low | 109 Ų | 109 | 119.8 Ų | 119.8 | 76% | 0.762 | 78% | 0.779 | S | S | * | * | trans | 81.5 | 103.3 | 169.1 | 65.8 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 134 | A | 30.2 | Very low | 35.8 | Very low | 95 Ų | 95 | 120.1 Ų | 120.1 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | 43.1 | 156.7 | 124.5 | 0 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 135 | P | 48 | Very low | 35.8 | Very low | 117 Ų | 117 | 119 Ų | 119 | 76% | 0.76 | 78% | 0.78 | S | S | * | * | cis | -137.1 | -159.8 | -26.6 | 36.7 | -14.2 | 0 | 0 | 0 | 112.4 | ||||
| 136 | P | 47.6 | Very low | 36.8 | Very low | 105 Ų | 105 | 118.6 Ų | 118.6 | 68% | 0.682 | 78% | 0.78 | S | S | * | * | -132.9 | 158.3 | -66.8 | 39.4 | -24 | 0 | 0 | 0 | 116.5 | |||||
| 137 | S | 32.3 | Very low | 36.8 | Very low | 114 Ų | 114 | 117.1 Ų | 117.1 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | trans | 67.7 | 159 | 149.1 | 74.9 | 0 | 0 | 0 | 0 | 121 | ||||
| 138 | P | 45.7 | Very low | 37.8 | Very low | 118 Ų | 118 | 117.2 Ų | 117.2 | 77% | 0.766 | 77% | 0.767 | S | S | * | * | cis | -125.1 | 157.6 | -9.8 | 37.6 | -21.7 | 0 | 0 | 0 | 116.9 | ||||
| 139 | V | 29 | Very low | 37.7 | Very low | 121 Ų | 121 | 120 Ų | 120 | 73% | 0.733 | 77% | 0.767 | S | S | * | * | trans | -15.1 | 152.7 | 140.8 | 179.4 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 140 | P | 46.5 | Very low | 37 | Very low | 112 Ų | 112 | 120.1 Ų | 120.1 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | cis | -126.8 | -173.3 | 6.4 | 18.2 | 8.3 | 0 | 0 | 0 | 114.3 | ||||
| 141 | E | 26.3 | Very low | 36.9 | Very low | 181 Ų | 181 | 122.4 Ų | 122.4 | 85% | 0.846 | 77% | 0.766 | S | S | * | * | cis | -162.2 | 176.6 | -29.2 | -106.5 | -174.9 | 167.9 | 0 | 0 | 111.3 | ||||
| 142 | K | 26.3 | Very low | 36.1 | Very low | 192 Ų | 192 | 123.5 Ų | 123.5 | 84% | 0.835 | 76% | 0.76 | S | S | * | * | trans | -76.1 | 179.7 | 162.3 | -110.4 | 179.1 | 176.2 | 174.7 | 0 | 111 | ||||
| 143 | P | 40.8 | Very low | 36.5 | Very low | 117 Ų | 117 | 124.7 Ų | 124.7 | 76% | 0.76 | 76% | 0.757 | S | S | * | * | cis | -118.1 | -169.2 | -10.4 | 43.3 | -28.4 | 0 | 0 | 0 | 111.1 | ||||
| 144 | S | 27.2 | Very low | 36.6 | Very low | 113 Ų | 113 | 123.5 Ų | 123.5 | 79% | 0.79 | 75% | 0.748 | S | S | * | * | cis | -151.7 | 149.6 | 16.8 | 54.6 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 145 | A | 26.3 | Very low | 37.5 | Very low | 93 Ų | 93 | 125.1 Ų | 125.1 | 77% | 0.769 | 74% | 0.743 | S | S | * | * | trans | -117 | -179.7 | 165.1 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 146 | P | 46.2 | Very low | 37.1 | Very low | 118 Ų | 118 | 125.9 Ų | 125.9 | 77% | 0.766 | 74% | 0.74 | S | S | * | * | cis | -113.1 | 168.7 | 7.1 | 18.9 | 6.6 | 0 | 0 | 0 | 113.1 | ||||
| 147 | A | 26.8 | Very low | 37.1 | Very low | 86 Ų | 86 | 127.1 Ų | 127.1 | 71% | 0.711 | 74% | 0.737 | S | S | * | * | cis | 72.6 | 151 | 42.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 148 | P | 46.6 | Very low | 38.1 | Very low | 100 Ų | 100 | 126.9 Ų | 126.9 | 65% | 0.649 | 72% | 0.721 | S | S | * | * | cis | -131.6 | 163.3 | 15.6 | 44 | -29 | 0 | 0 | 0 | 117.2 | ||||
| 149 | E | 32.6 | Very low | 38.1 | Very low | 175 Ų | 175 | 127.1 Ų | 127.1 | 82% | 0.818 | 72% | 0.716 | S | S | * | * | trans | 48.2 | 158.9 | 131.1 | -63.3 | 145.6 | -145.8 | 0 | 0 | 121.2 | ||||
| 150 | V | 31.1 | Very low | 38.9 | Very low | 133 Ų | 133 | 128.3 Ų | 128.3 | 81% | 0.806 | 72% | 0.717 | S | S | * | * | cis | -145.2 | 141.9 | 28.3 | -154.5 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 151 | D | 36.6 | Very low | 38.8 | Very low | 136 Ų | 136 | 129.7 Ų | 129.7 | 73% | 0.727 | 72% | 0.718 | S | S | * | * | trans | 11 | 142.4 | 153.3 | -147.8 | 10.1 | 0 | 0 | 0 | 122.9 | ||||
| 152 | E | 39.5 | Very low | 39.3 | Very low | 145 Ų | 145 | 124.7 Ų | 124.7 | 68% | 0.678 | 71% | 0.707 | S | S | * | * | trans | -119.7 | 126.8 | 170.2 | -76 | -151.5 | 143.3 | 0 | 0 | 111.9 | K158 | E152-K158 IonicContact OE1-NZ 2.68Å; E152-K158 PolarHBondContact OE1-NZ 3.13Å; E152-K158 IonicContact OE2-NZ 3.74Å; E152-K158 PolarHBondContact OE2-NZ 3.25Å | ||
| 153 | L | 38.1 | Very low | 39.5 | Very low | 138 Ų | 138 | 122 Ų | 122 | 72% | 0.723 | 71% | 0.707 | S | S | * | * | trans | -108.1 | 140.3 | 172 | -70.3 | 176.7 | 0 | 0 | 0 | 113.4 | ||||
| 154 | S | 45.9 | Very low | 39.1 | Very low | 84 Ų | 84 | 122 Ų | 122 | 59% | 0.587 | 71% | 0.709 | S | S | * | * | trans | 47 | 102.8 | 160.4 | -70.6 | 0 | 0 | 0 | 0 | 119.6 | L156 Q157 | S154-L156 PolarHBondContact O-N 3.43Å; S154-Q157 PolarHBondContact O-N 3.33Å | ||
| 155 | L | 48.8 | Very low | 39.3 | Very low | 130 Ų | 130 | 126.3 Ų | 126.3 | 68% | 0.681 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -49.4 | -28.7 | 169 | -171.1 | 66.9 | 0 | 0 | 0 | 114.4 | Q157 K158 L159 | L155-Q157 PolarHBondContact O-N 2.89Å; L155-K158 HydrophobicContact CD1-CD 4.41Å; L155-K158 WeakPolarHBondContact O-CB 3.45Å; L155-K158 PolarHBondContact O-N 2.92Å; L155-L159 PolarHBondContact O-N 3.1Å; L155-L159 VanDerWaalsContact O-N 3.15Å |
| 156 | L | 38.8 | Very low | 39.9 | Very low | 132 Ų | 132 | 127.5 Ų | 127.5 | 69% | 0.691 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -59.7 | -34.4 | 177.9 | -146.6 | 79.2 | 0 | 0 | 0 | 112.6 | S154 L159 L160 | S154-L156 PolarHBondContact O-N 3.43Å; L156-L159 PolarHBondContact O-N 2.86Å; L156-L160 PolarHBondContact O-N 3.03Å |
| 157 | Q | 47.2 | Very low | 39.1 | Very low | 132 Ų | 132 | 128.2 Ų | 128.2 | 62% | 0.617 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -76.8 | -24.7 | 176.9 | -166.3 | 171.6 | 3.8 | 0 | 0 | 112.3 | S154 L155 | S154-Q157 PolarHBondContact O-N 3.33Å; L155-Q157 PolarHBondContact O-N 2.89Å |
| 158 | K | 54.4 | Low | 39.2 | Very low | 108 Ų | 108 | 129.4 Ų | 129.4 | 47% | 0.47 | 72% | 0.715 | S | S | . | * | H | α-helix | trans | -73.7 | -29.7 | 172.2 | -69.1 | 179.7 | 171.7 | -179.8 | 0 | 112.3 | E152 L155 | E152-K158 IonicContact OE1-NZ 2.68Å; E152-K158 PolarHBondContact OE1-NZ 3.13Å; E152-K158 IonicContact OE2-NZ 3.74Å; E152-K158 PolarHBondContact OE2-NZ 3.25Å; L155-K158 HydrophobicContact CD1-CD 4.41Å; L155-K158 WeakPolarHBondContact O-CB 3.45Å; L155-K158 PolarHBondContact O-N 2.92Å |
| 159 | L | 45.9 | Very low | 38.3 | Very low | 124 Ų | 124 | 129.3 Ų | 129.3 | 65% | 0.649 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -75.2 | -39.5 | 177.3 | -91.3 | 158.7 | 0 | 0 | 0 | 113.4 | L155 L156 L161 | L155-L159 PolarHBondContact O-N 3.1Å; L155-L159 VanDerWaalsContact O-N 3.15Å; L156-L159 PolarHBondContact O-N 2.86Å; L159-L161 PolarHBondContact O-N 3.15Å |
| 160 | L | 44.2 | Very low | 38 | Very low | 145 Ų | 145 | 126.5 Ų | 126.5 | 76% | 0.759 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.4 | -3.9 | -176.1 | -94 | 160.8 | 0 | 0 | 0 | 115.7 | L156 | L156-L160 PolarHBondContact O-N 3.03Š|
| 161 | L | 45.2 | Very low | 37.8 | Very low | 142 Ų | 142 | 127.2 Ų | 127.2 | 74% | 0.743 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.4 | 7.6 | -173.3 | -68.2 | 173.7 | 0 | 0 | 0 | 114.5 | L159 | L159-L161 PolarHBondContact O-N 3.15Š|
| 162 | A | 36.2 | Very low | 37.5 | Very low | 75 Ų | 75 | 126.4 Ų | 126.4 | 62% | 0.62 | 72% | 0.716 | S | S | * | * | trans | -104.6 | 31.4 | -164.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 163 | T | 31.3 | Very low | 36.8 | Very low | 136 Ų | 136 | 128.1 Ų | 128.1 | 83% | 0.834 | 72% | 0.724 | S | S | * | * | trans | -131.7 | 73.8 | -179.1 | 60.7 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 164 | S | 32.2 | Very low | 36.5 | Very low | 116 Ų | 116 | 128.3 Ų | 128.3 | 81% | 0.811 | 72% | 0.719 | S | S | * | * | trans | -153.5 | 154.7 | 159.5 | 60.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 165 | Y | 31 | Very low | 35.6 | Very low | 204 Ų | 204 | 131.9 Ų | 131.9 | 80% | 0.8 | 73% | 0.727 | S | S | * | * | trans | -90.4 | 153.8 | -162.5 | -63.1 | -96.7 | 0 | 0 | 0 | 114.6 | ||||
| 166 | P | 39.6 | Very low | 34.7 | Very low | 118 Ų | 118 | 129 Ų | 129 | 77% | 0.766 | 73% | 0.728 | S | S | * | * | trans | -101.1 | 136.8 | 176.7 | 36.4 | -31.8 | 0 | 0 | 0 | 114.7 | ||||
| 167 | T | 28.2 | Very low | 34.4 | Very low | 134 Ų | 134 | 128.2 Ų | 128.2 | 82% | 0.822 | 73% | 0.734 | S | S | * | * | trans | -146.3 | 114.2 | 154.8 | 50.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 168 | S | 29.7 | Very low | 33.4 | Very low | 110 Ų | 110 | 126 Ų | 126 | 77% | 0.769 | 74% | 0.738 | S | S | * | * | trans | 24.4 | 136.8 | 152.7 | 63.6 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 169 | S | 27.1 | Very low | 32 | Very low | 99 Ų | 99 | 130.6 Ų | 130.6 | 69% | 0.692 | 75% | 0.753 | S | S | * | * | 180 | 153.1 | 57.7 | 52 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 170 | S | 27.7 | Very low | 31.1 | Very low | 116 Ų | 116 | 132.8 Ų | 132.8 | 81% | 0.811 | 75% | 0.752 | S | S | * | * | trans | 61.1 | 162.7 | 158.2 | 60.1 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 171 | D | 25.3 | Very low | 30.3 | Very low | 147 Ų | 147 | 134.1 Ų | 134.1 | 79% | 0.786 | 76% | 0.755 | S | S | * | * | cis | -140.9 | -169.6 | 0.2 | -153.7 | -21.7 | 0 | 0 | 0 | 110.9 | ||||
| 172 | T | 30.3 | Very low | 29.4 | Very low | 119 Ų | 119 | 132 Ų | 132 | 73% | 0.73 | 76% | 0.758 | S | S | * | * | trans | -106.3 | 143.5 | -164.8 | 54.4 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 173 | Q | 25.7 | Very low | 28.9 | Very low | 181 Ų | 181 | 131.8 Ų | 131.8 | 85% | 0.846 | 76% | 0.762 | S | S | * | * | trans | 179.3 | 147.3 | 151.5 | -107.1 | -174.6 | -139.4 | 0 | 0 | 109 | ||||
| 174 | K | 32 | Very low | 28.9 | Very low | 142 Ų | 142 | 134 Ų | 134 | 62% | 0.617 | 77% | 0.768 | S | S | * | * | cis | -164.7 | 166 | -3.9 | -159 | -175.2 | 170.6 | -135 | 0 | 110.8 | ||||
| 175 | E | 26.4 | Very low | 28.8 | Very low | 159 Ų | 159 | 140 Ų | 140 | 74% | 0.743 | 77% | 0.773 | S | S | * | * | trans | 84.5 | 134 | 148.2 | -136.4 | 106.2 | -100.3 | 0 | 0 | 117.8 | ||||
| 176 | G | 29.3 | Very low | 28.7 | Very low | 69 Ų | 69 | 135.5 Ų | 135.5 | 71% | 0.711 | 77% | 0.772 | S | S | * | * | trans | 165.7 | 41.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 177 | S | 32.5 | Very low | 28.3 | Very low | 117 Ų | 117 | 139.4 Ų | 139.4 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | trans | 36.8 | 114.4 | 155.9 | 58.4 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 178 | A | 26.9 | Very low | 28.2 | Very low | 85 Ų | 85 | 136.9 Ų | 136.9 | 70% | 0.702 | 76% | 0.764 | S | S | * | * | 94.3 | 117.8 | 115 | 0 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 179 | W | 24.4 | Very low | 28.1 | Very low | 205 Ų | 205 | 140.3 Ų | 140.3 | 78% | 0.777 | 77% | 0.768 | S | S | * | * | 105.3 | 125.7 | 118.6 | -87.7 | 31.6 | 0 | 0 | 0 | 122.8 | |||||
| 180 | R | 26.9 | Very low | 28 | Very low | 170 Ų | 170 | 147 Ų | 147 | 64% | 0.642 | 78% | 0.778 | S | S | * | * | trans | 71.3 | 149.5 | 153.7 | -58.9 | -79.7 | -157.2 | -77.8 | -4.3 | 118.4 | ||||
| 181 | Q | 28.9 | Very low | 28.7 | Very low | 173 Ų | 173 | 146.4 Ų | 146.4 | 81% | 0.808 | 77% | 0.772 | S | S | * | * | cis | -163.1 | 177.2 | -42.8 | -131.3 | -168.1 | 17.4 | 0 | 0 | 111.2 | ||||
| 182 | A | 25.8 | Very low | 28.7 | Very low | 97 Ų | 97 | 145.1 Ų | 145.1 | 80% | 0.802 | 77% | 0.773 | S | S | * | * | trans | 68.4 | 127.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 183 | G | 26.7 | Very low | 28.5 | Very low | 70 Ų | 70 | 146.2 Ų | 146.2 | 72% | 0.722 | 78% | 0.779 | S | S | * | * | cis | 108.1 | 106.3 | -19.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 184 | L | 29.7 | Very low | 28.6 | Very low | 182 Ų | 182 | 146.8 Ų | 146.8 | 95% | 0.953 | 78% | 0.779 | S | S | * | * | trans | -127.9 | 162.5 | 158 | -75.2 | 177.1 | 0 | 0 | 0 | 110.1 | ||||
| 185 | R | 31 | Very low | 28.5 | Very low | 243 Ų | 243 | 146.7 Ų | 146.7 | 92% | 0.917 | 79% | 0.79 | S | S | * | * | trans | -138.2 | 151.4 | -161.4 | -48.3 | 175.8 | -174.6 | -100.7 | 11.9 | 115.4 | ||||
| 186 | S | 28.1 | Very low | 28.4 | Very low | 110 Ų | 110 | 146 Ų | 146 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | trans | -166.6 | 123.8 | 137 | 41 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 187 | K | 31.9 | Very low | 28.2 | Very low | 200 Ų | 200 | 148.3 Ų | 148.3 | 87% | 0.87 | 80% | 0.797 | S | S | * | * | 62.8 | 137.1 | 84.1 | -77 | -174 | 174.9 | -179.1 | 0 | 113.6 | |||||
| 188 | S | 26.4 | Very low | 28.1 | Very low | 81 Ų | 81 | 148.3 Ų | 148.3 | 57% | 0.566 | 79% | 0.791 | S | S | * | * | cis | -158.9 | 153.9 | 14.8 | -142.7 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 189 | Q | 26 | Very low | 28.4 | Very low | 182 Ų | 182 | 152.1 Ų | 152.1 | 85% | 0.85 | 80% | 0.795 | S | S | * | * | trans | 66.4 | 163.4 | 143 | -79.8 | 157.3 | -51 | 0 | 0 | 124 | ||||
| 190 | R | 25.4 | Very low | 28.5 | Very low | 239 Ų | 239 | 147.8 Ų | 147.8 | 90% | 0.902 | 79% | 0.787 | S | S | * | * | trans | -134.9 | -160.6 | -176.7 | -29.3 | 167.2 | 172.9 | 165 | -7.1 | 108.2 | ||||
| 191 | P | 42.9 | Very low | 28.8 | Very low | 104 Ų | 104 | 147.3 Ų | 147.3 | 68% | 0.675 | 79% | 0.79 | S | S | * | * | cis | -136.8 | -169.2 | -35.8 | 34.9 | -14.5 | 0 | 0 | 0 | 114.2 | ||||
| 192 | C | 25 | Very low | 28.9 | Very low | 120 Ų | 120 | 148.6 Ų | 148.6 | 81% | 0.811 | 79% | 0.792 | S | S | * | * | trans | 76.1 | 160 | 159.6 | -57.7 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 193 | V | 26.6 | Very low | 29.1 | Very low | 142 Ų | 142 | 148.3 Ų | 148.3 | 86% | 0.861 | 79% | 0.79 | S | S | * | * | cis | -134.1 | 169.4 | 13 | -174.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 194 | K | 28.6 | Very low | 29.9 | Very low | 193 Ų | 193 | 150.8 Ų | 150.8 | 84% | 0.839 | 79% | 0.794 | S | S | * | * | trans | -73.5 | 167.6 | 171.1 | -57.8 | 176.2 | 176.3 | -179.6 | 0 | 113.8 | ||||
| 195 | V | 28.9 | Very low | 29.8 | Very low | 139 Ų | 139 | 149 Ų | 149 | 84% | 0.842 | 78% | 0.782 | S | S | * | * | trans | -167.5 | 166.1 | 133.6 | 134.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 196 | D | 24.6 | Very low | 29.8 | Very low | 145 Ų | 145 | 144.2 Ų | 144.2 | 78% | 0.775 | 78% | 0.78 | S | S | * | * | trans | -79.7 | 169.5 | -153.5 | -59.6 | -98.4 | 0 | 0 | 0 | 121.3 | ||||
| 197 | S | 24.7 | Very low | 29.8 | Very low | 118 Ų | 118 | 146.8 Ų | 146.8 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | 118 | 169.3 | 127.4 | -148 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 198 | T | 30.5 | Very low | 29.5 | Very low | 116 Ų | 116 | 141.8 Ų | 141.8 | 71% | 0.712 | 77% | 0.77 | S | S | * | * | trans | -132.6 | 158.4 | -159.6 | 61.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 199 | Q | 32.8 | Very low | 29.8 | Very low | 165 Ų | 165 | 146.4 Ų | 146.4 | 77% | 0.771 | 78% | 0.783 | S | S | * | * | 170.4 | 116.7 | 126.4 | -94.2 | 179.6 | 31 | 0 | 0 | 115.2 | |||||
| 200 | D | 28 | Very low | 30.1 | Very low | 114 Ų | 114 | 142.3 Ų | 142.3 | 61% | 0.61 | 77% | 0.774 | S | S | * | * | 65.7 | 149.7 | 101.8 | -156.1 | 6 | 0 | 0 | 0 | 122.9 | |||||
| 201 | K | 32.8 | Very low | 30.6 | Very low | 161 Ų | 161 | 142.1 Ų | 142.1 | 70% | 0.7 | 77% | 0.774 | S | S | * | * | trans | 68.4 | 152 | 174.9 | -69.3 | 115 | -174.7 | 163.4 | 0 | 117.2 | ||||
| 202 | K | 30.6 | Very low | 30.1 | Very low | 199 Ų | 199 | 141.7 Ų | 141.7 | 87% | 0.865 | 77% | 0.773 | S | S | * | * | cis | -153.6 | 151.1 | 17.9 | -151.9 | 171.5 | -177.7 | 178.6 | 0 | 113.1 | ||||
| 203 | A | 29.8 | Very low | 30.4 | Very low | 92 Ų | 92 | 141.1 Ų | 141.1 | 76% | 0.76 | 77% | 0.77 | S | S | * | * | trans | -143 | 152 | 163.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 204 | P | 43 | Very low | 31.1 | Very low | 122 Ų | 122 | 140.1 Ų | 140.1 | 79% | 0.792 | 76% | 0.764 | S | S | * | * | -153.6 | -167.1 | 109.4 | 38.4 | -19.6 | 0 | 0 | 0 | 113.5 | |||||
| 205 | M | 27.7 | Very low | 31.4 | Very low | 143 Ų | 143 | 137.4 Ų | 137.4 | 70% | 0.704 | 75% | 0.754 | S | S | * | * | 173.3 | 128 | -54.8 | 176.5 | 171 | 164 | 0 | 0 | 109 | Q207 | M205-Q207 HydrophobicContact CE-CG 3.56Š| |||
| 206 | T | 30.5 | Very low | 31.7 | Very low | 144 Ų | 144 | 135.9 Ų | 135.9 | 88% | 0.883 | 74% | 0.741 | S | S | * | * | trans | -136.9 | 145.2 | 162.5 | 40.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 207 | Q | 29.1 | Very low | 32.6 | Very low | 163 Ų | 163 | 137.8 Ų | 137.8 | 76% | 0.762 | 75% | 0.745 | S | S | * | * | trans | -109.6 | 178.3 | -177.2 | -46.3 | 167.1 | -74.7 | 0 | 0 | 108.2 | M205 | M205-Q207 HydrophobicContact CE-CG 3.56Š| ||
| 208 | S | 26.4 | Very low | 33.6 | Very low | 96 Ų | 96 | 138.7 Ų | 138.7 | 67% | 0.671 | 73% | 0.733 | S | S | * | * | cis | -166.3 | 150.7 | 12 | 49.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 209 | Q | 32.8 | Very low | 34 | Very low | 177 Ų | 177 | 138.5 Ų | 138.5 | 83% | 0.827 | 73% | 0.725 | S | S | * | * | 179 | 147.6 | 112.4 | -96.7 | 178.5 | 16.1 | 0 | 0 | 114.8 | |||||
| 210 | S | 30.7 | Very low | 34.2 | Very low | 96 Ų | 96 | 137.9 Ų | 137.9 | 67% | 0.671 | 73% | 0.725 | S | S | * | * | trans | 40.1 | 98 | 156.1 | 55 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 211 | R | 36.8 | Very low | 34.4 | Very low | 235 Ų | 235 | 138.6 Ų | 138.6 | 89% | 0.887 | 73% | 0.734 | S | S | * | * | 68.4 | 101.9 | 110.2 | -72.8 | 175.9 | -176.2 | -111.1 | 0.8 | 121.7 | |||||
| 212 | S | 31.9 | Very low | 34.4 | Very low | 96 Ų | 96 | 134.6 Ų | 134.6 | 67% | 0.671 | 73% | 0.727 | S | S | * | * | 90 | 120.9 | 105.1 | 70.7 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 213 | C | 31.9 | Very low | 34.3 | Very low | 108 Ų | 108 | 130 Ų | 130 | 73% | 0.73 | 73% | 0.726 | S | S | * | * | trans | 68.9 | 114.6 | 132.4 | -59 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 214 | T | 40.4 | Very low | 34.2 | Very low | 121 Ų | 121 | 134.9 Ų | 134.9 | 74% | 0.742 | 73% | 0.733 | S | S | * | * | 74.9 | 124 | 59.3 | 66.8 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 215 | E | 36.4 | Very low | 33.2 | Very low | 135 Ų | 135 | 134.6 Ų | 134.6 | 63% | 0.631 | 73% | 0.733 | S | S | * | * | trans | 63.9 | 150.1 | -169.8 | -56.2 | -173 | 86.1 | 0 | 0 | 111.5 | K218 | E215-K218 WeakPolarHBondContact OE1-CD 3.26Å; E215-K218 WeakPolarHBondContact OE1-CE 3.3Å; E215-K218 IonicContact OE1-NZ 2.79Å; E215-K218 PolarHBondContact OE1-NZ 3.09Å | ||
| 216 | L | 35.4 | Very low | 33.1 | Very low | 107 Ų | 107 | 133 Ų | 133 | 56% | 0.56 | 74% | 0.736 | S | S | * | * | cis | -144.7 | 84.3 | 38.3 | -71 | 155.1 | 0 | 0 | 0 | 113.2 | K218 | L216-K218 HydrophobicContact CD2-CB 4.36Å; L216-K218 PolarHBondContact O-N 2.79Å | ||
| 217 | H | 41.7 | Very low | 32.9 | Very low | 186 Ų | 186 | 133.3 Ų | 133.3 | 86% | 0.861 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.6 | 39.7 | 157.3 | -125.9 | -129.9 | 0 | 0 | 0 | 111.5 | ||
| 218 | K | 47.4 | Very low | 32.9 | Very low | 136 Ų | 136 | 133.4 Ų | 133.4 | 59% | 0.591 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.7 | -0.3 | 175.4 | -78.9 | -179.7 | 172.6 | 167.4 | 0 | 112.7 | E215 L216 | E215-K218 WeakPolarHBondContact OE1-CD 3.26Å; E215-K218 WeakPolarHBondContact OE1-CE 3.3Å; E215-K218 IonicContact OE1-NZ 2.79Å; E215-K218 PolarHBondContact OE1-NZ 3.09Å; L216-K218 HydrophobicContact CD2-CB 4.36Å; L216-K218 PolarHBondContact O-N 2.79Å |
| 219 | H | 38.2 | Very low | 32.7 | Very low | 113 Ų | 113 | 134.8 Ų | 134.8 | 52% | 0.523 | 73% | 0.731 | S | S | . | * | trans | -126.7 | 48.8 | -173.1 | -63.8 | -55.9 | 0 | 0 | 0 | 114 | S222 | H219-S222 PolarHBondContact ND1-OG 3.14Š| ||
| 220 | L | 36.8 | Very low | 32.5 | Very low | 151 Ų | 151 | 137.3 Ų | 137.3 | 79% | 0.791 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -107.5 | 8.4 | 154.9 | -78.9 | 173.5 | 0 | 0 | 0 | 113 | ||
| 221 | T | 31.6 | Very low | 32.2 | Very low | 130 Ų | 130 | 136.6 Ų | 136.6 | 80% | 0.798 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -141 | 68.7 | 165.7 | 51.2 | 0 | 0 | 0 | 0 | 110.8 | ||
| 222 | S | 32.4 | Very low | 31.7 | Very low | 77 Ų | 77 | 133.5 Ų | 133.5 | 54% | 0.538 | 74% | 0.741 | S | S | . | * | trans | -168.4 | 109.2 | 158.2 | 8.3 | 0 | 0 | 0 | 0 | 110.1 | H219 | H219-S222 PolarHBondContact ND1-OG 3.14Š| ||
| 223 | A | 29 | Very low | 31.3 | Very low | 102 Ų | 102 | 136.5 Ų | 136.5 | 84% | 0.843 | 74% | 0.744 | S | S | * | * | trans | -74.7 | 148.4 | 162.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | S225 | A223-S225 PolarHBondContact O-N 3.27Š| ||
| 224 | Q | 27.3 | Very low | 30.9 | Very low | 195 Ų | 195 | 136 Ų | 136 | 91% | 0.911 | 74% | 0.742 | S | S | * | * | trans | -82.5 | 115.4 | -171.2 | -175.3 | 174.8 | -0 | 0 | 0 | 111.9 | ||||
| 225 | S | 23.7 | Very low | 31.1 | Very low | 115 Ų | 115 | 135.6 Ų | 135.6 | 80% | 0.804 | 74% | 0.742 | S | S | * | * | trans | -78.8 | 155.6 | 164.5 | 56.5 | 0 | 0 | 0 | 0 | 111.1 | A223 | A223-S225 PolarHBondContact O-N 3.27Š| ||
| 226 | C | 25.4 | Very low | 30.4 | Very low | 111 Ų | 111 | 139.8 Ų | 139.8 | 75% | 0.75 | 75% | 0.752 | S | S | * | * | trans | -99.4 | 140.9 | -159.9 | -135.6 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 227 | L | 26.3 | Very low | 29.8 | Very low | 149 Ų | 149 | 141 Ų | 141 | 78% | 0.78 | 76% | 0.758 | S | S | * | * | trans | 70.3 | 163.8 | 146.7 | -73 | 164.5 | 0 | 0 | 0 | 122.4 | ||||
| 228 | Q | 27.8 | Very low | 28.8 | Very low | 165 Ų | 165 | 139.7 Ų | 139.7 | 77% | 0.771 | 75% | 0.752 | S | S | * | * | trans | 76.3 | 83 | 167.6 | -54.6 | -58.2 | -11.4 | 0 | 0 | 120.1 | ||||
| 229 | D | 23.8 | Very low | 27.6 | Very low | 125 Ų | 125 | 138.3 Ų | 138.3 | 67% | 0.668 | 76% | 0.76 | S | S | * | * | 19.1 | 149 | 124 | -159 | 29.1 | 0 | 0 | 0 | 123 | |||||
| 230 | R | 26.8 | Very low | 28.5 | Very low | 230 Ų | 230 | 138.3 Ų | 138.3 | 87% | 0.868 | 77% | 0.77 | S | S | * | * | trans | 48.9 | 124.8 | 157.9 | -86.1 | 169 | -173 | -161.2 | -1.9 | 121.2 | ||||
| 231 | G | 25.1 | Very low | 27.7 | Very low | 81 Ų | 81 | 143 Ų | 143 | 84% | 0.835 | 78% | 0.777 | S | S | * | * | trans | 163 | 94.6 | 149.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 232 | L | 26 | Very low | 27.7 | Very low | 171 Ų | 171 | 144.3 Ų | 144.3 | 90% | 0.895 | 78% | 0.778 | S | S | * | * | trans | -74.6 | 153.8 | 167.6 | -77.8 | 161 | 0 | 0 | 0 | 111.8 | ||||
| 233 | Q | 24.1 | Very low | 27.8 | Very low | 158 Ų | 158 | 146.4 Ų | 146.4 | 74% | 0.738 | 79% | 0.79 | S | S | * | * | trans | 101.4 | 92.6 | 159.3 | -58.8 | -70.5 | 4 | 0 | 0 | 120.4 | ||||
| 234 | S | 22.4 | Very low | 27.5 | Very low | 97 Ų | 97 | 145.8 Ų | 145.8 | 68% | 0.678 | 79% | 0.785 | S | S | * | * | 65 | -173.2 | 114.5 | -45.6 | 0 | 0 | 0 | 0 | 118 | |||||
| 235 | P | 45.4 | Very low | 27.3 | Very low | 114 Ų | 114 | 144.1 Ų | 144.1 | 74% | 0.74 | 78% | 0.775 | S | S | * | * | -136.2 | 177.8 | -110 | 36.4 | -13.9 | 0 | 0 | 0 | 117.6 | |||||
| 236 | R | 21 | Very low | 27.5 | Very low | 222 Ų | 222 | 144.7 Ų | 144.7 | 84% | 0.838 | 77% | 0.765 | S | S | * | * | trans | 107.9 | 127.3 | 155 | -66.8 | -179 | 163.7 | -176.5 | -3.9 | 119.3 | ||||
| 237 | L | 22.6 | Very low | 27.6 | Very low | 134 Ų | 134 | 146.2 Ų | 146.2 | 70% | 0.702 | 77% | 0.766 | S | S | * | * | 53.1 | 122.3 | 128.5 | -60.1 | 168.8 | 0 | 0 | 0 | 121.9 | |||||
| 238 | Q | 21.9 | Very low | 27.8 | Very low | 157 Ų | 157 | 148 Ų | 148 | 73% | 0.734 | 77% | 0.77 | S | S | * | * | 70.3 | 88.5 | 129.9 | -67.6 | 179.3 | -42.7 | 0 | 0 | 120.9 | |||||
| 239 | S | 22.4 | Very low | 28.1 | Very low | 108 Ų | 108 | 148.1 Ų | 148.1 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | 77.7 | 174.5 | 116 | 82.5 | 0 | 0 | 0 | 0 | 117.5 | |||||
| 240 | P | 56.3 | Low | 29.4 | Very low | 113 Ų | 113 | 147.7 Ų | 147.7 | 73% | 0.734 | 77% | 0.774 | S | S | * | * | -133.7 | 163.8 | -98.5 | 36 | -16.7 | 0 | 0 | 0 | 115.4 | |||||
| 241 | R | 21 | Very low | 29.5 | Very low | 248 Ų | 248 | 139.3 Ų | 139.3 | 94% | 0.936 | 76% | 0.76 | S | S | * | * | trans | -164.2 | 137.9 | 154.5 | -115.1 | 169.4 | -169.5 | -155.9 | -0.3 | 114.6 | ||||
| 242 | L | 30 | Very low | 29.8 | Very low | 158 Ų | 158 | 144.8 Ų | 144.8 | 83% | 0.827 | 76% | 0.764 | S | S | * | * | trans | -80.7 | 160.4 | 150.1 | -61.5 | 171.1 | 0 | 0 | 0 | 107.5 | ||||
| 243 | P | 35 | Very low | 29.8 | Very low | 122 Ų | 122 | 143.9 Ų | 143.9 | 79% | 0.792 | 76% | 0.76 | S | S | * | * | -154.4 | -171.1 | 64.2 | 43.6 | -22.6 | 0 | 0 | 0 | 117.1 | |||||
| 244 | A | 22.1 | Very low | 29.8 | Very low | 89 Ų | 89 | 141.6 Ų | 141.6 | 74% | 0.736 | 76% | 0.76 | S | S | * | * | trans | 70.3 | 136 | 163.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 245 | K | 24.6 | Very low | 30.7 | Very low | 159 Ų | 159 | 142.5 Ų | 142.5 | 69% | 0.691 | 76% | 0.764 | S | S | * | * | cis | 96.5 | 130.6 | 26.1 | -83.1 | -173.3 | 136.6 | -74.8 | 0 | 114.3 | ||||
| 246 | E | 27.3 | Very low | 29.8 | Very low | 127 Ų | 127 | 142.3 Ų | 142.3 | 59% | 0.593 | 77% | 0.765 | S | S | * | * | trans | 58 | 154.7 | 160.6 | -75.2 | 89.2 | -96.4 | 0 | 0 | 117.7 | ||||
| 247 | D | 28.6 | Very low | 30.7 | Very low | 143 Ų | 143 | 137.8 Ų | 137.8 | 77% | 0.765 | 76% | 0.764 | S | S | * | * | cis | -159.9 | 174 | -12.5 | -116.4 | -28 | 0 | 0 | 0 | 109.8 | ||||
| 248 | E | 29.9 | Very low | 30.8 | Very low | 188 Ų | 188 | 140 Ų | 140 | 88% | 0.879 | 77% | 0.771 | S | S | * | * | trans | 171.3 | 146.7 | 134.3 | -89.5 | -82.4 | 72.2 | 0 | 0 | 111.3 | ||||
| 249 | E | 34.4 | Very low | 31.7 | Very low | 167 Ų | 167 | 138.2 Ų | 138.2 | 78% | 0.78 | 77% | 0.773 | S | S | * | * | trans | -118.6 | -158.8 | -164.7 | -128.7 | -141.3 | 117.3 | 0 | 0 | 110.9 | ||||
| 250 | P | 50.5 | Low | 31.7 | Very low | 115 Ų | 115 | 137.1 Ų | 137.1 | 75% | 0.747 | 77% | 0.77 | S | S | * | * | cis | -132.3 | 178.4 | -7.2 | 40.4 | -23.2 | 0 | 0 | 0 | 116.7 | ||||
| 251 | G | 28 | Very low | 31.3 | Very low | 55 Ų | 55 | 137.4 Ų | 137.4 | 57% | 0.567 | 77% | 0.772 | S | S | * | * | trans | 124.8 | 103.4 | 132.6 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 252 | E | 32 | Very low | 31.4 | Very low | 195 Ų | 195 | 130 Ų | 130 | 91% | 0.911 | 76% | 0.764 | S | S | * | * | trans | 62 | 145.2 | 146.4 | -56.8 | 177.2 | 146.1 | 0 | 0 | 118.2 | ||||
| 253 | D | 26.1 | Very low | 31.6 | Very low | 152 Ų | 152 | 127.9 Ų | 127.9 | 81% | 0.813 | 76% | 0.763 | S | S | * | * | cis | -148.3 | 176.3 | 11.5 | -155.7 | -11.8 | 0 | 0 | 0 | 111.9 | ||||
| 254 | C | 23.3 | Very low | 31.5 | Very low | 110 Ų | 110 | 128 Ų | 128 | 74% | 0.743 | 76% | 0.763 | S | S | * | * | trans | -89.4 | -176.2 | 177.4 | -77.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 255 | P | 42.4 | Very low | 31.9 | Very low | 116 Ų | 116 | 134.3 Ų | 134.3 | 75% | 0.753 | 77% | 0.768 | S | S | * | * | cis | -138.6 | -178.8 | 7.4 | 43.8 | -25.2 | 0 | 0 | 0 | 118 | ||||
| 256 | S | 27.4 | Very low | 32 | Very low | 110 Ų | 110 | 133.6 Ų | 133.6 | 77% | 0.769 | 77% | 0.772 | S | S | * | * | trans | -3.9 | 162.5 | 149.1 | -53.8 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 257 | P | 39.4 | Very low | 31.9 | Very low | 127 Ų | 127 | 132.6 Ų | 132.6 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | cis | -132.2 | 176.1 | 8.4 | 32.9 | -11.1 | 0 | 0 | 0 | 117.6 | ||||
| 258 | Q | 24.5 | Very low | 32.2 | Very low | 181 Ų | 181 | 134.1 Ų | 134.1 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | trans | -82 | -176.9 | 169.4 | -78.5 | -152.3 | 0.9 | 0 | 0 | 112.3 | ||||
| 259 | P | 40.9 | Very low | 32.1 | Very low | 120 Ų | 120 | 130 Ų | 130 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | cis | -144.7 | -169.5 | 18.5 | 42.4 | -19.7 | 0 | 0 | 0 | 118.5 | ||||
| 260 | A | 22.9 | Very low | 32.2 | Very low | 84 Ų | 84 | 130.9 Ų | 130.9 | 69% | 0.694 | 79% | 0.793 | S | S | * | * | trans | -86.2 | -154.2 | 163.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 261 | P | 47.4 | Very low | 31.2 | Very low | 119 Ų | 119 | 128.8 Ų | 128.8 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | cis | -136.6 | -157.2 | -12.9 | 42.1 | -22 | 0 | 0 | 0 | 113.5 | ||||
| 262 | A | 23.3 | Very low | 31.7 | Very low | 93 Ų | 93 | 138.4 Ų | 138.4 | 77% | 0.769 | 81% | 0.812 | S | S | * | * | trans | 79.1 | 155.8 | 153.6 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 263 | S | 33.9 | Very low | 31.7 | Very low | 114 Ų | 114 | 133.7 Ų | 133.7 | 80% | 0.797 | 81% | 0.807 | S | S | * | * | trans | -91.9 | 148.8 | 173.7 | 51.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 264 | P | 31.8 | Very low | 32 | Very low | 123 Ų | 123 | 133.9 Ų | 133.9 | 80% | 0.799 | 81% | 0.808 | S | S | * | * | trans | -126.7 | 165.3 | 141.4 | 36.5 | -27.2 | 0 | 0 | 0 | 111.9 | ||||
| 265 | R | 32.2 | Very low | 32.9 | Very low | 222 Ų | 222 | 134.7 Ų | 134.7 | 84% | 0.838 | 81% | 0.812 | S | S | * | * | trans | -83.1 | 153.2 | 164.8 | -59.6 | 173.5 | 168.8 | -177.8 | -4.9 | 109.3 | ||||
| 266 | D | 24.8 | Very low | 33.2 | Very low | 145 Ų | 145 | 132.4 Ų | 132.4 | 78% | 0.775 | 81% | 0.809 | S | S | * | * | 170.3 | 155.6 | 104.1 | -86.4 | -27.3 | 0 | 0 | 0 | 112.6 | |||||
| 267 | S | 26.8 | Very low | 34.3 | Very low | 106 Ų | 106 | 131.5 Ų | 131.5 | 74% | 0.741 | 81% | 0.808 | S | S | * | * | trans | 62.7 | 103.9 | 159.5 | -59.6 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 268 | L | 33.6 | Very low | 35 | Very low | 175 Ų | 175 | 131.5 Ų | 131.5 | 92% | 0.916 | 81% | 0.808 | S | S | * | * | 37.8 | 105.5 | 126.5 | -61.4 | 168.3 | 0 | 0 | 0 | 119.4 | |||||
| 269 | A | 29.3 | Very low | 36.4 | Very low | 102 Ų | 102 | 126.9 Ų | 126.9 | 84% | 0.843 | 79% | 0.792 | S | S | * | * | -171.1 | 132.3 | 125.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 270 | L | 36.4 | Very low | 38 | Very low | 184 Ų | 184 | 123.3 Ų | 123.3 | 96% | 0.963 | 77% | 0.77 | S | S | * | * | trans | -19.5 | 124.6 | 154.3 | -175.2 | 69.5 | 0 | 0 | 0 | 116.9 | ||||
| 271 | G | 28.9 | Very low | 40.3 | Very low | 71 Ų | 71 | 126.7 Ų | 126.7 | 73% | 0.732 | 77% | 0.771 | S | S | * | * | trans | -161.3 | 132.6 | 172 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 272 | R | 38.5 | Very low | 41.9 | Very low | 257 Ų | 257 | 128.8 Ų | 128.8 | 97% | 0.97 | 77% | 0.771 | S | S | * | * | trans | -57.9 | 148.9 | -177.3 | -72 | 173.3 | 160.3 | -141.7 | -4 | 113.6 | ||||
| 273 | A | 31.9 | Very low | 44.7 | Very low | 97 Ų | 97 | 128.5 Ų | 128.5 | 80% | 0.802 | 76% | 0.756 | S | S | * | * | trans | -106.3 | 150.4 | 159.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 274 | D | 32.5 | Very low | 46.9 | Very low | 156 Ų | 156 | 127.8 Ų | 127.8 | 83% | 0.834 | 74% | 0.742 | S | S | * | * | trans | -82.5 | 144.5 | 178.2 | -84.9 | -57.4 | 0 | 0 | 0 | 112.8 | G276 | D274-G276 VanDerWaalsContact C-N 3.28Å; D274-G276 PolarHBondContact O-N 3Å | ||
| 275 | P | 42.3 | Very low | 49.3 | Very low | 127 Ų | 127 | 127.4 Ų | 127.4 | 83% | 0.825 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -75.5 | 78.9 | 169.6 | 32.6 | -33.9 | 0 | 0 | 0 | 110.2 | ||
| 276 | G | 47.8 | Very low | 51.7 | Low | 68 Ų | 68 | 119.4 Ų | 119.4 | 70% | 0.701 | 71% | 0.711 | S | S | * | * | trans | -149.7 | 22.9 | -168.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | D274 | D274-G276 VanDerWaalsContact C-N 3.28Å; D274-G276 PolarHBondContact O-N 3Å | ||
| 277 | A | 52 | Low | 54.5 | Low | 91 Ų | 91 | 117.2 Ų | 117.2 | 75% | 0.752 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -90 | 133.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | V279 | A277-V279 PolarHBondContact O-N 2.9Š|
| 278 | P | 54 | Low | 57.3 | Low | 126 Ų | 126 | 116 Ų | 116 | 82% | 0.818 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 124.8 | 170.4 | 29.1 | -32.5 | 0 | 0 | 0 | 110.2 | S280 | P278-S280 PolarHBondContact O-N 2.84Š|
| 279 | V | 54.1 | Low | 59.5 | Low | 84 Ų | 84 | 113.6 Ų | 113.6 | 51% | 0.509 | 67% | 0.669 | S | S | . | * | P | Polyproline II helix | trans | -51.3 | 134.4 | 174.6 | 177.9 | 0 | 0 | 0 | 0 | 110.1 | A277 D283 M284 M287 | A277-V279 PolarHBondContact O-N 2.9Å; V279-D283 HydrophobicContact CG1-CB 3.64Å; V279-M284 HydrophobicContact CG1-CG 4.03Å; V279-M287 HydrophobicContact CG1-CE 4.02Å |
| 280 | S | 74.3 | Confident | 62.3 | Low | 46 Ų | 46 | 113.8 Ų | 113.8 | 32% | 0.322 | 66% | 0.655 | S | S | . | * | P | Polyproline II helix | trans | -66.8 | 155.4 | -174 | 86.6 | 0 | 0 | 0 | 0 | 111.7 | P278 E282 D283 M284 | P278-S280 PolarHBondContact O-N 2.84Å; S280-E282 PolarHBondContact O-N 2.91Å; S280-E282 PolarHBondContact OG-N 2.97Å; S280-D283 WeakPolarHBondContact CB-OD2 3.38Å; S280-D283 PolarHBondContact N-OD2 2.94Å; S280-D283 PolarHBondContact O-N 3.08Å; S280-D283 PolarHBondContact OG-N 2.87Å; S280-D283 PolarHBondContact OG-OD2 3.2Å; S280-M284 PolarHBondContact O-N 3.03Å |
| 281 | Q | 71 | Confident | 64.4 | Low | 154 Ų | 154 | 109.3 Ų | 109.3 | 72% | 0.72 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -61.6 | -27.5 | 175.5 | -173.3 | 174.6 | -32.9 | 0 | 0 | 111.7 | Q285 | Q281-Q285 WeakPolarHBondContact O-CB 3.36Å; Q281-Q285 PolarHBondContact O-N 2.84Å |
| 282 | E | 80 | Confident | 66.6 | Low | 163 Ų | 163 | 114.6 Ų | 114.6 | 76% | 0.762 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -79.1 | -35.7 | 179.6 | -64 | 178.6 | 147.6 | 0 | 0 | 111.5 | S280 Q285 A286 | S280-E282 PolarHBondContact O-N 2.91Å; S280-E282 PolarHBondContact OG-N 2.97Å; E282-Q285 CarbonylContact O-C 3.58Å; E282-Q285 WeakPolarHBondContact O-CB 3.29Å; E282-Q285 PolarHBondContact O-N 3.16Å; E282-A286 WeakPolarHBondContact O-CB 3.32Å; E282-A286 PolarHBondContact O-N 3.33Å |
| 283 | D | 82.3 | Confident | 68.6 | Low | 87 Ų | 87 | 108.7 Ų | 108.7 | 47% | 0.465 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -66.5 | -40.2 | 171.6 | -61.2 | -52 | 0 | 0 | 0 | 111.9 | V279 S280 Q285 A286 M287 | V279-D283 HydrophobicContact CG1-CB 3.64Å; S280-D283 WeakPolarHBondContact CB-OD2 3.38Å; S280-D283 PolarHBondContact N-OD2 2.94Å; S280-D283 PolarHBondContact O-N 3.08Å; S280-D283 PolarHBondContact OG-N 2.87Å; S280-D283 PolarHBondContact OG-OD2 3.2Å; D283-Q285 VanDerWaalsContact C-N 3.33Å; D283-A286 PolarHBondContact O-N 2.87Å; D283-M287 WeakPolarHBondContact O-CB 3.21Å; D283-M287 PolarHBondContact O-N 3.21Å |
| 284 | M | 80.7 | Confident | 71 | Confident | 99 Ų | 99 | 108 Ų | 108 | 49% | 0.488 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -63.3 | -40.3 | 171.3 | -73 | -170.6 | -76 | 0 | 0 | 111.6 | V279 S280 A286 V288 | V279-M284 HydrophobicContact CG1-CG 4.03Å; S280-M284 PolarHBondContact O-N 3.03Å; M284-A286 VanDerWaalsContact C-N 3.33Å; M284-A286 PolarHBondContact O-N 3.38Å; M284-V288 WeakPolarHBondContact O-CB 3.41Å; M284-V288 VanDerWaalsContact O-CG2 3.3Å; M284-V288 WeakPolarHBondContact O-CG2 3.35Å; M284-V288 PolarHBondContact O-N 3.01Å |
| 285 | Q | 81.2 | Confident | 72.6 | Confident | 116 Ų | 116 | 106.4 Ų | 106.4 | 54% | 0.542 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -63.9 | -38.7 | 174.7 | -160.9 | 83.7 | 4.4 | 0 | 0 | 111.4 | Q281 E282 D283 Q289 | Q281-Q285 WeakPolarHBondContact O-CB 3.36Å; Q281-Q285 PolarHBondContact O-N 2.84Å; E282-Q285 CarbonylContact O-C 3.58Å; E282-Q285 WeakPolarHBondContact O-CB 3.29Å; E282-Q285 PolarHBondContact O-N 3.16Å; D283-Q285 VanDerWaalsContact C-N 3.33Å; Q285-Q289 WeakPolarHBondContact O-CG 3.45Å; Q285-Q289 PolarHBondContact O-N 3.4Å |
| 286 | A | 83.8 | Confident | 74.1 | Confident | 54 Ų | 54 | 105 Ų | 105 | 45% | 0.446 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -69 | -46.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | E282 D283 M284 V288 Q289 L290 | E282-A286 WeakPolarHBondContact O-CB 3.32Å; E282-A286 PolarHBondContact O-N 3.33Å; D283-A286 PolarHBondContact O-N 2.87Å; M284-A286 VanDerWaalsContact C-N 3.33Å; M284-A286 PolarHBondContact O-N 3.38Å; A286-V288 VanDerWaalsContact C-N 3.34Å; A286-V288 PolarHBondContact O-N 2.92Å; A286-Q289 PolarHBondContact O-N 3.17Å; A286-Q289 VanDerWaalsContact O-N 3.12Å; A286-L290 WeakPolarHBondContact O-CB 3.32Å; A286-L290 PolarHBondContact O-N 2.79Å |
| 287 | M | 83.1 | Confident | 74.8 | Confident | 98 Ų | 98 | 108.5 Ų | 108.5 | 48% | 0.483 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -57.6 | -44.8 | 172 | -84.7 | -171.7 | -80.1 | 0 | 0 | 111.7 | V279 D283 Q289 L290 I291 | V279-M287 HydrophobicContact CG1-CE 4.02Å; D283-M287 WeakPolarHBondContact O-CB 3.21Å; D283-M287 PolarHBondContact O-N 3.21Å; M287-Q289 VanDerWaalsContact C-N 3.29Å; M287-Q289 PolarHBondContact O-N 3.08Å; M287-L290 PolarHBondContact O-N 3.36Å; M287-I291 VanDerWaalsContact O-CB 3.3Å; M287-I291 WeakPolarHBondContact O-CB 3.5Å; M287-I291 WeakPolarHBondContact O-CD1 3.29Å; M287-I291 WeakPolarHBondContact O-CG1 3.36Å; M287-I291 PolarHBondContact O-N 2.81Å |
| 288 | V | 85 | Confident | 75.1 | Confident | 81 Ų | 81 | 108 Ų | 108 | 49% | 0.491 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -64.2 | -33.6 | 176.6 | 169.5 | 0 | 0 | 0 | 0 | 112 | M284 A286 R292 | M284-V288 WeakPolarHBondContact O-CB 3.41Å; M284-V288 VanDerWaalsContact O-CG2 3.3Å; M284-V288 WeakPolarHBondContact O-CG2 3.35Å; M284-V288 PolarHBondContact O-N 3.01Å; A286-V288 VanDerWaalsContact C-N 3.34Å; A286-V288 PolarHBondContact O-N 2.92Å; V288-R292 WeakPolarHBondContact O-CB 3.38Å; V288-R292 VanDerWaalsContact O-CG 3.23Å; V288-R292 WeakPolarHBondContact O-CG 3.13Å; V288-R292 PolarHBondContact O-N 2.68Å |
| 289 | Q | 81.6 | Confident | 74.9 | Confident | 125 Ų | 125 | 107.2 Ų | 107.2 | 58% | 0.584 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -71.6 | -42.4 | 172.9 | -75.8 | -171.6 | 66 | 0 | 0 | 112.7 | Q285 A286 M287 R292 Y293 | Q285-Q289 WeakPolarHBondContact O-CG 3.45Å; Q285-Q289 PolarHBondContact O-N 3.4Å; A286-Q289 PolarHBondContact O-N 3.17Å; A286-Q289 VanDerWaalsContact O-N 3.12Å; M287-Q289 VanDerWaalsContact C-N 3.29Å; M287-Q289 PolarHBondContact O-N 3.08Å; Q289-R292 PolarHBondContact O-N 3.37Å; Q289-Y293 WeakPolarHBondContact O-CB 3.21Å; Q289-Y293 PolarHBondContact O-N 3.19Å |
| 290 | L | 86.6 | Confident | 74.3 | Confident | 106 Ų | 106 | 108.8 Ų | 108.8 | 56% | 0.555 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -62.3 | -43.8 | 175.5 | -179.5 | 60.2 | 0 | 0 | 0 | 111.5 | A286 M287 R292 Y293 M294 | A286-L290 WeakPolarHBondContact O-CB 3.32Å; A286-L290 PolarHBondContact O-N 2.79Å; M287-L290 PolarHBondContact O-N 3.36Å; L290-R292 PolarHBondContact O-N 2.68Å; L290-Y293 PolarHBondContact O-N 3.13Å; L290-M294 HydrophobicContact CD1-CG 4.38Å; L290-M294 WeakPolarHBondContact O-CB 3.39Å; L290-M294 VanDerWaalsContact O-CG 3.32Å; L290-M294 WeakPolarHBondContact O-CG 3.21Å; L290-M294 PolarHBondContact O-N 3.12Å |
| 291 | I | 81.1 | Confident | 72.6 | Confident | 90 Ų | 90 | 115.8 Ų | 115.8 | 46% | 0.462 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -61.5 | -43.3 | 174.1 | -71.7 | 165.1 | 0 | 0 | 0 | 110.7 | M287 H295 | M287-I291 VanDerWaalsContact O-CB 3.3Å; M287-I291 WeakPolarHBondContact O-CB 3.5Å; M287-I291 WeakPolarHBondContact O-CD1 3.29Å; M287-I291 WeakPolarHBondContact O-CG1 3.36Å; M287-I291 PolarHBondContact O-N 2.81Å; I291-H295 WeakPolarHBondContact O-CB 3.46Å; I291-H295 PolarHBondContact O-CD2 3.13Å; I291-H295 PolarHBondContact O-N 2.96Å |
| 292 | R | 75.4 | Confident | 71.2 | Confident | 181 Ų | 181 | 119.7 Ų | 119.7 | 68% | 0.683 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -65.2 | -39.6 | 174.9 | -75.7 | 176.7 | 72.6 | 176.5 | 2.6 | 112.5 | V288 Q289 L290 H295 T296 | V288-R292 WeakPolarHBondContact O-CB 3.38Å; V288-R292 VanDerWaalsContact O-CG 3.23Å; V288-R292 WeakPolarHBondContact O-CG 3.13Å; V288-R292 PolarHBondContact O-N 2.68Å; Q289-R292 PolarHBondContact O-N 3.37Å; L290-R292 PolarHBondContact O-N 2.68Å; R292-H295 PolarHBondContact O-N 3.27Å; R292-T296 PolarHBondContact O-N 3.21Å; R292-T296 PolarHBondContact O-OG1 3Å |
| 293 | Y | 81 | Confident | 69 | Low | 134 Ų | 134 | 121.6 Ų | 121.6 | 53% | 0.525 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -64.3 | -47.5 | 176.3 | 179.8 | -96.1 | 0 | 0 | 0 | 111.4 | Q289 L290 H295 T296 Y297 | Q289-Y293 WeakPolarHBondContact O-CB 3.21Å; Q289-Y293 PolarHBondContact O-N 3.19Å; L290-Y293 PolarHBondContact O-N 3.13Å; Y293-H295 VanDerWaalsContact C-N 3.35Å; Y293-H295 PolarHBondContact O-N 2.93Å; Y293-T296 WeakPolarHBondContact CA-OG1 3.46Å; Y293-T296 PolarHBondContact O-N 3.01Å; Y293-T296 PolarHBondContact O-OG1 2.74Å; Y293-Y297 HydrophobicContact CD1-CD2 4.49Å; Y293-Y297 HydrophobicContact CD2-CD2 4.05Å; Y293-Y297 AromaticContact CD2-CE2 3.85Å; Y293-Y297 HydrophobicContact CD2-CE2 3.85Å; Y293-Y297 HydrophobicContact CE1-CD2 4.27Å; Y293-Y297 AromaticContact CE2-CD2 3.82Å; Y293-Y297 HydrophobicContact CE2-CD2 3.82Å; Y293-Y297 AromaticContact CE2-CE2 3.5Å; Y293-Y297 HydrophobicContact CE2-CE2 3.5Å; Y293-Y297 VanDerWaalsContact CE2-CE2 3.5Å; Y293-Y297 HydrophobicContact CG-CD2 4.39Å; Y293-Y297 AromaticContact CZ-CD2 3.93Å; Y293-Y297 AromaticContact CZ-CE2 3.99Å; Y293-Y297 WeakPolarHBondContact O-CD2 3.43Å; Y293-Y297 PolarHBondContact O-N 3.03Å |
| 294 | M | 82.1 | Confident | 66.9 | Low | 82 Ų | 82 | 124.9 Ų | 124.9 | 40% | 0.404 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -60.3 | -41.4 | 173.2 | -71.5 | -75.1 | 98.4 | 0 | 0 | 111.8 | L290 T296 Y297 C298 | L290-M294 HydrophobicContact CD1-CG 4.38Å; L290-M294 WeakPolarHBondContact O-CB 3.39Å; L290-M294 VanDerWaalsContact O-CG 3.32Å; L290-M294 WeakPolarHBondContact O-CG 3.21Å; L290-M294 PolarHBondContact O-N 3.12Å; M294-T296 VanDerWaalsContact C-N 3.26Å; M294-T296 PolarHBondContact O-N 3.2Å; M294-Y297 PolarHBondContact O-N 2.97Å; M294-C298 WeakPolarHBondContact O-CA 3.37Å; M294-C298 VanDerWaalsContact O-CB 3.3Å; M294-C298 WeakPolarHBondContact O-CB 3.24Å; M294-C298 PolarHBondContact O-N 3.2Å; M294-C298 VanDerWaalsContact SD-SG 3.68Å |
| 295 | H | 65.3 | Low | 64.8 | Low | 122 Ų | 122 | 125.4 Ų | 125.4 | 57% | 0.565 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -66.4 | -21.9 | 173.3 | -77.5 | -49.6 | 0 | 0 | 0 | 114.4 | I291 R292 Y293 L299 | I291-H295 WeakPolarHBondContact O-CB 3.46Å; I291-H295 PolarHBondContact O-CD2 3.13Å; I291-H295 PolarHBondContact O-N 2.96Å; R292-H295 PolarHBondContact O-N 3.27Å; Y293-H295 VanDerWaalsContact C-N 3.35Å; Y293-H295 PolarHBondContact O-N 2.93Å; H295-L299 WeakPolarHBondContact ND1-CD1 3.09Å |
| 296 | T | 73.8 | Confident | 62.6 | Low | 98 Ų | 98 | 126 Ų | 126 | 60% | 0.601 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -81.4 | -20.8 | 173.5 | 45.5 | 0 | 0 | 0 | 0 | 114.8 | R292 Y293 M294 | R292-T296 PolarHBondContact O-N 3.21Å; R292-T296 PolarHBondContact O-OG1 3Å; Y293-T296 WeakPolarHBondContact CA-OG1 3.46Å; Y293-T296 PolarHBondContact O-N 3.01Å; Y293-T296 PolarHBondContact O-OG1 2.74Å; M294-T296 VanDerWaalsContact C-N 3.26Å; M294-T296 PolarHBondContact O-N 3.2Å |
| 297 | Y | 63.2 | Low | 60.1 | Low | 141 Ų | 141 | 132.2 Ų | 132.2 | 55% | 0.553 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -121.8 | -26.4 | -174.8 | -67.7 | -71.5 | 0 | 0 | 0 | 115.3 | Y293 M294 | Y293-Y297 HydrophobicContact CD1-CD2 4.49Å; Y293-Y297 HydrophobicContact CD2-CD2 4.05Å; Y293-Y297 AromaticContact CD2-CE2 3.85Å; Y293-Y297 HydrophobicContact CD2-CE2 3.85Å; Y293-Y297 HydrophobicContact CE1-CD2 4.27Å; Y293-Y297 AromaticContact CE2-CD2 3.82Å; Y293-Y297 HydrophobicContact CE2-CD2 3.82Å; Y293-Y297 AromaticContact CE2-CE2 3.5Å; Y293-Y297 HydrophobicContact CE2-CE2 3.5Å; Y293-Y297 VanDerWaalsContact CE2-CE2 3.5Å; Y293-Y297 HydrophobicContact CG-CD2 4.39Å; Y293-Y297 AromaticContact CZ-CD2 3.93Å; Y293-Y297 AromaticContact CZ-CE2 3.99Å; Y293-Y297 WeakPolarHBondContact O-CD2 3.43Å; Y293-Y297 PolarHBondContact O-N 3.03Å; M294-Y297 PolarHBondContact O-N 2.97Å |
| 298 | C | 57.8 | Low | 57.5 | Low | 80 Ų | 80 | 131.6 Ų | 131.6 | 54% | 0.541 | 66% | 0.662 | S | S | . | * | S | Bend | trans | -108 | 17.1 | -168.7 | -58.1 | 0 | 0 | 0 | 0 | 114.7 | M294 | M294-C298 WeakPolarHBondContact O-CA 3.37Å; M294-C298 VanDerWaalsContact O-CB 3.3Å; M294-C298 WeakPolarHBondContact O-CB 3.24Å; M294-C298 PolarHBondContact O-N 3.2Å; M294-C298 VanDerWaalsContact SD-SG 3.68Å |
| 299 | L | 49.6 | Very low | 55.2 | Low | 111 Ų | 111 | 133.9 Ų | 133.9 | 58% | 0.581 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -126.9 | 138.2 | 171.6 | -72.7 | 179.9 | 0 | 0 | 0 | 112.2 | H295 | H295-L299 WeakPolarHBondContact ND1-CD1 3.09Š|
| 300 | P | 41.4 | Very low | 52.7 | Low | 117 Ų | 117 | 136.4 Ų | 136.4 | 76% | 0.76 | 69% | 0.69 | S | S | * | * | trans | -60.5 | 140.9 | 173.2 | -21.8 | 32.8 | 0 | 0 | 0 | 111.9 | R302 | P300-R302 PolarHBondContact O-N 2.97Š| ||
| 301 | Q | 38.9 | Very low | 50.4 | Low | 193 Ų | 193 | 135.5 Ų | 135.5 | 90% | 0.902 | 69% | 0.691 | S | S | * | * | trans | -63.5 | 93.4 | -177.4 | -71 | -169 | -9.8 | 0 | 0 | 113 | K303 | Q301-K303 PolarHBondContact O-N 3.08Š| ||
| 302 | R | 40.3 | Very low | 47.9 | Very low | 235 Ų | 235 | 137.9 Ų | 137.9 | 89% | 0.887 | 70% | 0.704 | S | S | * | * | trans | -61.8 | 113.3 | 164.1 | -87.3 | -177.7 | 160.7 | 168.2 | -4.4 | 109.1 | P300 L304 | P300-R302 PolarHBondContact O-N 2.97Å; R302-L304 PolarHBondContact O-N 3.02Å | ||
| 303 | K | 35.2 | Very low | 45.9 | Very low | 204 Ų | 204 | 135.3 Ų | 135.3 | 89% | 0.887 | 71% | 0.711 | S | S | * | * | trans | -68.9 | 116 | 177.7 | -64.5 | -178 | -180 | 178.9 | 0 | 110.1 | Q301 | Q301-K303 PolarHBondContact O-N 3.08Š| ||
| 304 | L | 37.4 | Very low | 43.7 | Very low | 156 Ų | 156 | 137.8 Ų | 137.8 | 82% | 0.817 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 150.3 | 169.3 | -106.1 | 70.2 | 0 | 0 | 0 | 111.1 | R302 | R302-L304 PolarHBondContact O-N 3.02Š|
| 305 | P | 37.3 | Very low | 40.9 | Very low | 109 Ų | 109 | 138.9 Ų | 138.9 | 71% | 0.708 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 153.1 | 171.2 | -17.1 | 31.3 | 0 | 0 | 0 | 112 | Q307 | P305-Q307 PolarHBondContact O-N 2.74Š|
| 306 | P | 33.8 | Very low | 39.1 | Very low | 129 Ų | 129 | 138.7 Ų | 138.7 | 84% | 0.838 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 119.4 | 173.7 | 28.9 | -33.3 | 0 | 0 | 0 | 111.4 | ||
| 307 | Q | 31.2 | Very low | 36.8 | Very low | 185 Ų | 185 | 139.8 Ų | 139.8 | 86% | 0.864 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 144.4 | 165.6 | -87 | -96.2 | 19.2 | 0 | 0 | 111.1 | P305 | P305-Q307 PolarHBondContact O-N 2.74Š|
| 308 | A | 30 | Very low | 35.2 | Very low | 84 Ų | 84 | 140.6 Ų | 140.6 | 69% | 0.694 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -95.8 | 136.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 309 | P | 35.8 | Very low | 34.4 | Very low | 129 Ų | 129 | 142.1 Ų | 142.1 | 84% | 0.838 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 126.8 | 178 | -12.2 | 29 | 0 | 0 | 0 | 113.5 | ||
| 310 | E | 28.9 | Very low | 33.4 | Very low | 179 Ų | 179 | 141.3 Ų | 141.3 | 84% | 0.836 | 80% | 0.795 | S | S | * | * | trans | -109.2 | 161.7 | 163.1 | -96.2 | -79.6 | 100.5 | 0 | 0 | 108.9 | ||||
| 311 | P | 37.8 | Very low | 33 | Very low | 87 Ų | 87 | 144.6 Ų | 144.6 | 57% | 0.565 | 80% | 0.8 | S | S | * | * | -134.3 | -170.3 | -117.6 | 42 | -25.7 | 0 | 0 | 0 | 116.3 | |||||
| 312 | L | 29.7 | Very low | 32.5 | Very low | 139 Ų | 139 | 144.3 Ų | 144.3 | 73% | 0.728 | 80% | 0.799 | S | S | * | * | trans | 77.4 | 159.6 | 165.8 | -71.4 | 163.5 | 0 | 0 | 0 | 116.1 | K314 | L312-K314 HydrophobicContact CD2-CG 4.33Š| ||
| 313 | P | 34 | Very low | 31.9 | Very low | 128 Ų | 128 | 138.9 Ų | 138.9 | 83% | 0.831 | 79% | 0.792 | S | S | * | * | cis | -108.1 | 171.7 | 8.7 | 40.3 | -32.1 | 0 | 0 | 0 | 116.3 | ||||
| 314 | K | 33.4 | Very low | 31.5 | Very low | 186 Ų | 186 | 140.5 Ų | 140.5 | 81% | 0.809 | 79% | 0.792 | S | S | * | * | trans | -100.4 | 143.2 | 175.5 | -66.7 | 175.2 | -179.6 | 171.8 | 0 | 111.5 | L312 | L312-K314 HydrophobicContact CD2-CG 4.33Š| ||
| 315 | A | 24.6 | Very low | 31 | Very low | 105 Ų | 105 | 139.2 Ų | 139.2 | 87% | 0.868 | 80% | 0.796 | S | S | * | * | trans | -126.8 | 150.5 | 156.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 316 | C | 26.5 | Very low | 30.6 | Very low | 118 Ų | 118 | 145.3 Ų | 145.3 | 80% | 0.797 | 81% | 0.805 | S | S | * | * | trans | -117.5 | 142.9 | -161.1 | -60.6 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 317 | S | 25.9 | Very low | 30.9 | Very low | 121 Ų | 121 | 143.8 Ų | 143.8 | 85% | 0.846 | 80% | 0.796 | S | S | * | * | -170.7 | 155.1 | 128.3 | 31.4 | 0 | 0 | 0 | 0 | 113 | |||||
| 318 | N | 28.6 | Very low | 30.6 | Very low | 158 Ų | 158 | 146.4 Ų | 146.4 | 85% | 0.845 | 80% | 0.798 | S | S | * | * | trans | -131.7 | 170.3 | 177.6 | -99.3 | -37 | 0 | 0 | 0 | 105.8 | ||||
| 319 | P | 42.5 | Very low | 30.4 | Very low | 111 Ų | 111 | 146.9 Ų | 146.9 | 72% | 0.721 | 80% | 0.796 | S | S | * | * | cis | -158.4 | -158.6 | 44.6 | 43.5 | -19 | 0 | 0 | 0 | 117.8 | ||||
| 320 | S | 28.6 | Very low | 30.1 | Very low | 95 Ų | 95 | 152.4 Ų | 152.4 | 66% | 0.664 | 80% | 0.8 | S | S | * | * | trans | 76.9 | 90.7 | 152.7 | 47.2 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 321 | Q | 32.2 | Very low | 30.2 | Very low | 185 Ų | 185 | 152.1 Ų | 152.1 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | 43.3 | 118.9 | 111.6 | -62.4 | 177.8 | -6.7 | 0 | 0 | 120.9 | |||||
| 322 | Q | 29.3 | Very low | 29.9 | Very low | 187 Ų | 187 | 154 Ų | 154 | 87% | 0.874 | 81% | 0.81 | S | S | * | * | -165.8 | 109.1 | 109.4 | -106.5 | -177.6 | 15.8 | 0 | 0 | 115.7 | |||||
| 323 | V | 26.7 | Very low | 30 | Very low | 121 Ų | 121 | 152.8 Ų | 152.8 | 73% | 0.733 | 81% | 0.814 | S | S | * | * | trans | 31.2 | 117.2 | 132.1 | -171.4 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 324 | R | 28.1 | Very low | 30 | Very low | 238 Ų | 238 | 156.6 Ų | 156.6 | 90% | 0.898 | 82% | 0.817 | S | S | * | * | trans | 64.4 | 114.7 | 149.4 | -72 | 175.3 | 173 | -174.7 | -2 | 121.7 | ||||
| 325 | S | 27.1 | Very low | 30 | Very low | 129 Ų | 129 | 151.7 Ų | 151.7 | 90% | 0.902 | 81% | 0.811 | S | S | * | * | -164.7 | 179.9 | 106 | 40.2 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 326 | R | 27.3 | Very low | 30.6 | Very low | 238 Ų | 238 | 152.4 Ų | 152.4 | 90% | 0.898 | 81% | 0.81 | S | S | * | * | trans | -136.8 | 174.6 | -169.6 | -107.3 | -164 | 175 | -165.2 | 1.6 | 108.1 | ||||
| 327 | P | 40 | Very low | 31.1 | Very low | 97 Ų | 97 | 158.5 Ų | 158.5 | 63% | 0.63 | 82% | 0.816 | S | S | * | * | cis | -139.9 | 162.7 | -40 | 38.4 | -22.3 | 0 | 0 | 0 | 114.1 | ||||
| 328 | W | 24.7 | Very low | 31.9 | Very low | 240 Ų | 240 | 157.2 Ų | 157.2 | 91% | 0.909 | 81% | 0.813 | S | S | * | * | trans | -158.1 | 168.6 | 141 | -151.4 | -108.1 | 0 | 0 | 0 | 113.2 | ||||
| 329 | S | 27.1 | Very low | 33 | Very low | 94 Ų | 94 | 159 Ų | 159 | 66% | 0.657 | 82% | 0.816 | S | S | * | * | trans | 10.9 | 116.9 | 172.7 | 58.2 | 0 | 0 | 0 | 0 | 120 | ||||
| 330 | R | 28.3 | Very low | 34 | Very low | 244 Ų | 244 | 157.3 Ų | 157.3 | 92% | 0.921 | 80% | 0.797 | S | S | * | * | trans | -130 | 131 | 156.8 | 179.1 | 171 | 167.5 | 174.7 | -4.4 | 108.6 | ||||
| 331 | H | 31 | Very low | 36.3 | Very low | 174 Ų | 174 | 155.8 Ų | 155.8 | 81% | 0.806 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 151.3 | -172.4 | -63.8 | -87.9 | 0 | 0 | 0 | 113.1 | S333 | H331-S333 PolarHBondContact O-N 3.4Š|
| 332 | P | 32.8 | Very low | 38.3 | Very low | 126 Ų | 126 | 150.8 Ų | 150.8 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 127 | -174.7 | 27.2 | -34.6 | 0 | 0 | 0 | 112.6 | ||
| 333 | S | 32.1 | Very low | 40.1 | Very low | 114 Ų | 114 | 147.8 Ų | 147.8 | 80% | 0.797 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 131.8 | 169.5 | 51.6 | 0 | 0 | 0 | 0 | 111 | H331 A335 | H331-S333 PolarHBondContact O-N 3.4Å; S333-A335 PolarHBondContact O-N 2.77Å |
| 334 | K | 34.1 | Very low | 42.4 | Very low | 208 Ų | 208 | 151.1 Ų | 151.1 | 90% | 0.904 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 131.7 | 172.2 | -64.2 | 176.3 | -179 | 175.3 | 0 | 109.9 | ||
| 335 | A | 33 | Very low | 44.7 | Very low | 82 Ų | 82 | 143.1 Ų | 143.1 | 68% | 0.678 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -74 | 140.9 | 173 | 0 | 0 | 0 | 0 | 0 | 110.4 | S333 | S333-A335 PolarHBondContact O-N 2.77Š|
| 336 | S | 37.4 | Very low | 46.9 | Very low | 120 Ų | 120 | 139.5 Ų | 139.5 | 84% | 0.839 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 130.5 | 162.9 | 41.7 | 0 | 0 | 0 | 0 | 109.1 | A338 | S336-A338 PolarHBondContact O-N 2.71Š|
| 337 | W | 35.5 | Very low | 48.9 | Very low | 246 Ų | 246 | 134.9 Ų | 134.9 | 93% | 0.932 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 121.2 | 172.4 | -72.2 | 58.2 | 0 | 0 | 0 | 107.4 | ||
| 338 | A | 43.1 | Very low | 50.3 | Low | 94 Ų | 94 | 133.7 Ų | 133.7 | 78% | 0.777 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 135.6 | 168.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | S336 F340 | S336-A338 PolarHBondContact O-N 2.71Å; A338-F340 PolarHBondContact O-N 2.72Å; A338-F340 VanDerWaalsContact O-N 3.14Å |
| 339 | E | 52.1 | Low | 52.1 | Low | 196 Ų | 196 | 126.8 Ų | 126.8 | 92% | 0.916 | 67% | 0.666 | S | S | * | * | trans | -68.3 | 109.5 | -173.8 | -68 | 168.4 | 174.4 | 0 | 0 | 111.1 | S341 | E339-S341 PolarHBondContact O-N 3.49Å; E339-S341 VanDerWaalsContact O-N 3.15Å | ||
| 340 | F | 63.6 | Low | 53.4 | Low | 75 Ų | 75 | 129.6 Ų | 129.6 | 33% | 0.329 | 67% | 0.673 | S | S | . | * | trans | -82.5 | 87.3 | 174.6 | -176.8 | -105.9 | 0 | 0 | 0 | 109.9 | A338 I342 E345 L369 P371 | A338-F340 PolarHBondContact O-N 2.72Å; A338-F340 VanDerWaalsContact O-N 3.14Å; F340-I342 HydrophobicContact CD1-CG1 4.26Å; F340-I342 HydrophobicContact CE1-CG1 3.96Å; F340-I342 PolarHBondContact O-N 2.78Å; F340-E345 HydrophobicContact CE2-CB 4.19Å; F340-E345 HydrophobicContact CE2-CG 4.02Å; F340-E345 HydrophobicContact CZ-CB 4.27Å; F340-E345 HydrophobicContact CZ-CG 4.11Å; F340-L369 HydrophobicContact CZ-CB 4.27Å; F340-P371 HydrophobicContact CD1-CB 4.44Å; F340-P371 HydrophobicContact CD1-CG 3.97Å; F340-P371 HydrophobicContact CD2-CB 4.48Å; F340-P371 HydrophobicContact CE1-CG 4.15Å; F340-P371 HydrophobicContact CG-CB 4.31Å; F340-P371 HydrophobicContact CG-CG 4.31Å | ||
| 341 | S | 77.3 | Confident | 55.1 | Low | 63 Ų | 63 | 121 Ų | 121 | 44% | 0.441 | 65% | 0.647 | S | S | . | * | trans | -81.1 | 110.4 | 172.9 | 176.1 | 0 | 0 | 0 | 0 | 110.5 | E339 L343 R344 E345 | E339-S341 PolarHBondContact O-N 3.49Å; E339-S341 VanDerWaalsContact O-N 3.15Å; S341-L343 PolarHBondContact O-N 3.07Å; S341-R344 WeakPolarHBondContact O-CA 3.39Å; S341-R344 WeakPolarHBondContact O-CB 3.39Å; S341-R344 PolarHBondContact O-N 2.67Å; S341-E345 PolarHBondContact O-N 3.49Å | ||
| 342 | I | 74.8 | Confident | 56.2 | Low | 81 Ų | 81 | 121.1 Ų | 121.1 | 42% | 0.415 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -55.2 | -40.6 | 178.6 | -63.7 | 170.8 | 0 | 0 | 0 | 111.1 | F340 R344 E345 L346 L369 | F340-I342 HydrophobicContact CD1-CG1 4.26Å; F340-I342 HydrophobicContact CE1-CG1 3.96Å; F340-I342 PolarHBondContact O-N 2.78Å; I342-R344 VanDerWaalsContact C-N 3.32Å; I342-R344 PolarHBondContact O-N 3.11Å; I342-E345 PolarHBondContact O-N 2.91Å; I342-L346 HydrophobicContact CG2-CD1 4Å; I342-L346 HydrophobicContact CG2-CG 4.42Å; I342-L346 WeakPolarHBondContact O-CG 3.37Å; I342-L346 PolarHBondContact O-N 3.15Å; I342-L369 HydrophobicContact CG2-CD1 4.13Å |
| 343 | L | 67.3 | Low | 57.4 | Low | 123 Ų | 123 | 118.2 Ų | 118.2 | 64% | 0.644 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -57.8 | -43 | 173.9 | -103.1 | 152.4 | 0 | 0 | 0 | 112.2 | S341 E345 L347 | S341-L343 PolarHBondContact O-N 3.07Å; L343-E345 VanDerWaalsContact C-N 3.34Å; L343-L347 HydrophobicContact CD2-CD1 4.34Å; L343-L347 WeakPolarHBondContact O-CB 3.15Å; L343-L347 WeakPolarHBondContact O-CD1 3.39Å; L343-L347 VanDerWaalsContact O-CG 3.23Å; L343-L347 WeakPolarHBondContact O-CG 3.31Å; L343-L347 PolarHBondContact O-N 3.01Å |
| 344 | R | 73.7 | Confident | 58.5 | Low | 191 Ų | 191 | 117.6 Ų | 117.6 | 72% | 0.721 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -74.2 | -25.8 | -178.4 | -141 | -73.8 | -178.1 | 172.4 | -6.7 | 112.2 | S341 I342 A348 | S341-R344 WeakPolarHBondContact O-CA 3.39Å; S341-R344 WeakPolarHBondContact O-CB 3.39Å; S341-R344 PolarHBondContact O-N 2.67Å; I342-R344 VanDerWaalsContact C-N 3.32Å; I342-R344 PolarHBondContact O-N 3.11Å; R344-A348 WeakPolarHBondContact O-CB 3.4Å |
| 345 | E | 77.6 | Confident | 59.4 | Low | 70 Ų | 70 | 114 Ų | 114 | 33% | 0.327 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -77.6 | -46 | 172.2 | -167.6 | 70.4 | -142.5 | 0 | 0 | 111.1 | F340 S341 I342 L343 L347 A348 Q349 L369 | F340-E345 HydrophobicContact CE2-CB 4.19Å; F340-E345 HydrophobicContact CE2-CG 4.02Å; F340-E345 HydrophobicContact CZ-CB 4.27Å; F340-E345 HydrophobicContact CZ-CG 4.11Å; S341-E345 PolarHBondContact O-N 3.49Å; I342-E345 PolarHBondContact O-N 2.91Å; L343-E345 VanDerWaalsContact C-N 3.34Å; E345-L347 PolarHBondContact O-N 3.44Å; E345-A348 PolarHBondContact O-N 3.29Å; E345-A348 VanDerWaalsContact O-N 3.07Å; E345-Q349 WeakPolarHBondContact O-CG 3.06Å; E345-Q349 PolarHBondContact O-N 2.95Å; E345-Q349 PolarHBondContact OE1-NE2 2.9Å; E345-L369 HydrophobicContact CB-CD1 4.45Å; E345-L369 HydrophobicContact CG-CD1 4.34Å; E345-L369 HydrophobicContact CG-CD2 4.05Å |
| 346 | L | 71.8 | Confident | 60.8 | Low | 53 Ų | 53 | 114 Ų | 114 | 28% | 0.277 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -58.8 | -48 | 176 | -75.1 | 168.9 | 0 | 0 | 0 | 112.3 | I342 A348 Q349 V365 L369 | I342-L346 HydrophobicContact CG2-CD1 4Å; I342-L346 HydrophobicContact CG2-CG 4.42Å; I342-L346 WeakPolarHBondContact O-CG 3.37Å; I342-L346 PolarHBondContact O-N 3.15Å; L346-A348 PolarHBondContact O-N 2.99Å; L346-A348 VanDerWaalsContact O-N 3.15Å; L346-Q349 PolarHBondContact O-N 2.94Å; L346-Q349 VanDerWaalsContact O-N 3.14Å; L346-V365 HydrophobicContact CD2-CG1 4.36Å; L346-L369 HydrophobicContact CD2-CD1 3.72Å; L346-L369 HydrophobicContact CG-CD1 3.75Å |
| 347 | L | 69.1 | Low | 61.7 | Low | 141 Ų | 141 | 113.3 Ų | 113.3 | 74% | 0.738 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | -8.9 | 177 | -69.6 | 169.6 | 0 | 0 | 0 | 113.8 | L343 E345 | L343-L347 HydrophobicContact CD2-CD1 4.34Å; L343-L347 WeakPolarHBondContact O-CB 3.15Å; L343-L347 WeakPolarHBondContact O-CD1 3.39Å; L343-L347 VanDerWaalsContact O-CG 3.23Å; L343-L347 WeakPolarHBondContact O-CG 3.31Å; L343-L347 PolarHBondContact O-N 3.01Å; E345-L347 PolarHBondContact O-N 3.44Å |
| 348 | A | 70.9 | Confident | 62.5 | Low | 72 Ų | 72 | 105.7 Ų | 105.7 | 60% | 0.595 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.6 | -3.2 | 176 | 0 | 0 | 0 | 0 | 0 | 113.4 | R344 E345 L346 | R344-A348 WeakPolarHBondContact O-CB 3.4Å; E345-A348 PolarHBondContact O-N 3.29Å; E345-A348 VanDerWaalsContact O-N 3.07Å; L346-A348 PolarHBondContact O-N 2.99Å; L346-A348 VanDerWaalsContact O-N 3.15Å |
| 349 | Q | 61.8 | Low | 62.9 | Low | 96 Ų | 96 | 112 Ų | 112 | 45% | 0.449 | 58% | 0.583 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -112.5 | 2.2 | -177.3 | -70.2 | -173.3 | 17.9 | 0 | 0 | 114.1 | E345 L346 V351 | E345-Q349 WeakPolarHBondContact O-CG 3.06Å; E345-Q349 PolarHBondContact O-N 2.95Å; E345-Q349 PolarHBondContact OE1-NE2 2.9Å; L346-Q349 PolarHBondContact O-N 2.94Å; L346-Q349 VanDerWaalsContact O-N 3.14Å; Q349-V351 VanDerWaalsContact C-N 3.26Å; Q349-V351 HydrophobicContact CB-CG2 3.71Å; Q349-V351 PolarHBondContact O-N 2.8Å; Q349-V351 VanDerWaalsContact O-N 3.15Å |
| 350 | D | 54.8 | Low | 63 | Low | 152 Ų | 152 | 112.9 Ų | 112.9 | 81% | 0.813 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 46.7 | 45.1 | 173.6 | -106.3 | -8.4 | 0 | 0 | 0 | 113.9 | L352 | D350-L352 PolarHBondContact O-N 2.79Š|
| 351 | V | 63.4 | Low | 62.6 | Low | 63 Ų | 63 | 114.3 Ų | 114.3 | 38% | 0.382 | 59% | 0.588 | S | S | . | * | trans | -77.1 | 98.7 | -168.1 | -164 | 0 | 0 | 0 | 0 | 111.1 | Q349 C353 V365 | Q349-V351 VanDerWaalsContact C-N 3.26Å; Q349-V351 HydrophobicContact CB-CG2 3.71Å; Q349-V351 PolarHBondContact O-N 2.8Å; Q349-V351 VanDerWaalsContact O-N 3.15Å; V351-C353 PolarHBondContact O-N 3.43Å; V351-C353 PolarHBondContact O-SG 2.96Å; V351-V365 HydrophobicContact CG1-CG1 3.91Å | ||
| 352 | L | 54.7 | Low | 61.6 | Low | 178 Ų | 178 | 116.6 Ų | 116.6 | 93% | 0.932 | 61% | 0.611 | S | S | * | * | trans | -57.5 | 102.4 | 173.6 | -67.7 | 173.3 | 0 | 0 | 0 | 111.5 | D350 | D350-L352 PolarHBondContact O-N 2.79Š| ||
| 353 | C | 58.2 | Low | 60.9 | Low | 64 Ų | 64 | 117.8 Ų | 117.8 | 43% | 0.432 | 62% | 0.622 | S | S | . | * | trans | -116.5 | 132.8 | 179.6 | -62.3 | 0 | 0 | 0 | 0 | 110.7 | V351 V355 | V351-C353 PolarHBondContact O-N 3.43Å; V351-C353 PolarHBondContact O-SG 2.96Å; C353-V355 PolarHBondContact O-N 3.05Å | ||
| 354 | D | 55.4 | Low | 60.8 | Low | 102 Ų | 102 | 114.5 Ų | 114.5 | 55% | 0.545 | 61% | 0.608 | S | S | . | * | trans | -71.9 | 94.3 | 173 | 177 | 11.4 | 0 | 0 | 0 | 110.7 | S356 K357 | D354-S356 VanDerWaalsContact CG-OG 3.23Å; D354-S356 PolarHBondContact O-N 2.95Å; D354-S356 VanDerWaalsContact O-N 3.08Å; D354-S356 VanDerWaalsContact OD1-CB 3.31Å; D354-S356 WeakPolarHBondContact OD1-CB 3.13Å; D354-S356 PolarHBondContact OD1-N 3.3Å; D354-S356 PolarHBondContact OD1-OG 3.09Å; D354-S356 PolarHBondContact OD2-OG 2.88Å; D354-K357 PolarHBondContact O-N 3.29Å; D354-K357 IonicContact OD1-NZ 2.76Å; D354-K357 IonicContact OD2-NZ 2.79Å; D354-K357 PolarHBondContact OD2-NZ 3.15Å | ||
| 355 | V | 52.8 | Low | 60.1 | Low | 132 Ų | 132 | 107.8 Ų | 107.8 | 80% | 0.8 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64 | -10.6 | -178.9 | -128.9 | 0 | 0 | 0 | 0 | 113.7 | C353 K357 | C353-V355 PolarHBondContact O-N 3.05Å; V355-K357 VanDerWaalsContact C-N 3.27Å; V355-K357 PolarHBondContact O-N 2.86Å |
| 356 | S | 60.8 | Low | 59.3 | Low | 83 Ų | 83 | 110.8 Ų | 110.8 | 58% | 0.58 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | -10.4 | 179 | 71.3 | 0 | 0 | 0 | 0 | 114.3 | D354 | D354-S356 VanDerWaalsContact CG-OG 3.23Å; D354-S356 PolarHBondContact O-N 2.95Å; D354-S356 VanDerWaalsContact O-N 3.08Å; D354-S356 VanDerWaalsContact OD1-CB 3.31Å; D354-S356 WeakPolarHBondContact OD1-CB 3.13Å; D354-S356 PolarHBondContact OD1-N 3.3Å; D354-S356 PolarHBondContact OD1-OG 3.09Å; D354-S356 PolarHBondContact OD2-OG 2.88Å |
| 357 | K | 58 | Low | 58.9 | Low | 105 Ų | 105 | 111.5 Ų | 111.5 | 46% | 0.457 | 61% | 0.611 | S | S | . | * | trans | -139.1 | 54.8 | -174.2 | -60.3 | 172.7 | -156.9 | 66.6 | 0 | 113.7 | D354 V355 Y359 R360 | D354-K357 PolarHBondContact O-N 3.29Å; D354-K357 IonicContact OD1-NZ 2.76Å; D354-K357 IonicContact OD2-NZ 2.79Å; D354-K357 PolarHBondContact OD2-NZ 3.15Å; V355-K357 VanDerWaalsContact C-N 3.27Å; V355-K357 PolarHBondContact O-N 2.86Å; K357-Y359 PolarHBondContact O-N 3.14Å; K357-Y359 VanDerWaalsContact O-N 3.09Å; K357-R360 HydrophobicContact CB-CB 4.42Å; K357-R360 PolarHBondContact O-N 3.01Å | ||
| 358 | P | 51.4 | Low | 58.3 | Low | 86 Ų | 86 | 109.2 Ų | 109.2 | 56% | 0.558 | 61% | 0.607 | S | S | * | * | G | 310 helix | trans | -57.6 | -30.5 | -174 | 22.7 | -33.4 | 0 | 0 | 0 | 114.1 | ||
| 359 | Y | 51.7 | Low | 57.8 | Low | 225 Ų | 225 | 107 Ų | 107 | 88% | 0.882 | 58% | 0.584 | S | S | * | * | G | 310 helix | trans | -91.5 | 13.2 | -176.1 | -54.4 | -70.9 | 0 | 0 | 0 | 115.5 | K357 | K357-Y359 PolarHBondContact O-N 3.14Å; K357-Y359 VanDerWaalsContact O-N 3.09Å |
| 360 | R | 54.7 | Low | 57.3 | Low | 215 Ų | 215 | 107.7 Ų | 107.7 | 81% | 0.811 | 60% | 0.596 | S | S | * | * | G | 310 helix | trans | -109 | 6.8 | -179.6 | -70.2 | -160.7 | 176.7 | -150.1 | 0.1 | 115.7 | K357 | K357-R360 HydrophobicContact CB-CB 4.42Å; K357-R360 PolarHBondContact O-N 3.01Å |
| 361 | L | 55.1 | Low | 56.9 | Low | 105 Ų | 105 | 105 Ų | 105 | 55% | 0.55 | 59% | 0.587 | S | S | . | * | trans | -94.3 | 107.9 | 174.7 | -60.9 | -179 | 0 | 0 | 0 | 110.6 | T363 V365 | L361-T363 PolarHBondContact O-N 3.5Å; L361-T363 VanDerWaalsContact O-N 3.13Å; L361-V365 HydrophobicContact CD1-CG2 3.67Å | ||
| 362 | A | 56.3 | Low | 55.9 | Low | 111 Ų | 111 | 113.1 Ų | 113.1 | 92% | 0.917 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -62.9 | -16.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 363 | T | 59.1 | Low | 55 | Low | 106 Ų | 106 | 110 Ų | 110 | 65% | 0.65 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -133.4 | 127 | 163.7 | 45 | 0 | 0 | 0 | 0 | 108.4 | L361 | L361-T363 PolarHBondContact O-N 3.5Å; L361-T363 VanDerWaalsContact O-N 3.13Å |
| 364 | P | 64.9 | Low | 53.8 | Low | 54 Ų | 54 | 118.1 Ų | 118.1 | 35% | 0.351 | 63% | 0.625 | S | S | . | * | trans | -67.8 | 151.1 | 179.3 | 29 | -35.1 | 0 | 0 | 0 | 111.2 | Y366 A367 | P364-Y366 HydrophobicContact CB-CD1 4.07Å; P364-Y366 HydrophobicContact CB-CD2 4.48Å; P364-Y366 HydrophobicContact CB-CE1 3.6Å; P364-Y366 HydrophobicContact CB-CE2 4.05Å; P364-Y366 HydrophobicContact CB-CG 4.48Å; P364-Y366 HydrophobicContact CG-CD2 4.16Å; P364-Y366 HydrophobicContact CG-CE1 4.03Å; P364-Y366 HydrophobicContact CG-CE2 3.53Å; P364-Y366 VanDerWaalsContact CG-CZ 3.46Å; P364-Y366 PolarHBondContact O-N 2.92Å; P364-Y366 VanDerWaalsContact O-N 3.1Å; P364-A367 HydrophobicContact CG-CB 4.33Å; P364-A367 WeakPolarHBondContact O-CB 3.44Å; P364-A367 PolarHBondContact O-N 3.09Å | ||
| 365 | V | 60.2 | Low | 52.8 | Low | 50 Ų | 50 | 118.6 Ų | 118.6 | 30% | 0.303 | 63% | 0.634 | S | S | . | * | G | 310 helix | trans | -57.5 | -31.6 | -171.7 | -178 | 0 | 0 | 0 | 0 | 113.2 | L346 V351 L361 A367 S368 | L346-V365 HydrophobicContact CD2-CG1 4.36Å; V351-V365 HydrophobicContact CG1-CG1 3.91Å; L361-V365 HydrophobicContact CD1-CG2 3.67Å; V365-A367 VanDerWaalsContact C-N 3.26Å; V365-A367 PolarHBondContact O-N 3.19Å; V365-S368 PolarHBondContact O-OG 2.93Å; V365-S368 VanDerWaalsContact O-OG 3.13Å |
| 366 | Y | 59 | Low | 51.7 | Low | 134 Ų | 134 | 123.6 Ų | 123.6 | 53% | 0.525 | 64% | 0.638 | S | S | . | * | G | 310 helix | trans | -71.7 | -12.4 | 176.7 | 56.4 | -106 | 0 | 0 | 0 | 114.5 | P364 S368 L369 | P364-Y366 HydrophobicContact CB-CD1 4.07Å; P364-Y366 HydrophobicContact CB-CD2 4.48Å; P364-Y366 HydrophobicContact CB-CE1 3.6Å; P364-Y366 HydrophobicContact CB-CE2 4.05Å; P364-Y366 HydrophobicContact CB-CG 4.48Å; P364-Y366 HydrophobicContact CG-CD2 4.16Å; P364-Y366 HydrophobicContact CG-CE1 4.03Å; P364-Y366 HydrophobicContact CG-CE2 3.53Å; P364-Y366 VanDerWaalsContact CG-CZ 3.46Å; P364-Y366 PolarHBondContact O-N 2.92Å; P364-Y366 VanDerWaalsContact O-N 3.1Å; Y366-S368 PolarHBondContact O-N 3.38Å; Y366-L369 WeakPolarHBondContact O-CB 3.49Å; Y366-L369 PolarHBondContact O-N 2.68Å; Y366-L369 VanDerWaalsContact O-N 3.09Å |
| 367 | A | 64.4 | Low | 50.7 | Low | 67 Ų | 67 | 124.9 Ų | 124.9 | 55% | 0.554 | 65% | 0.645 | S | S | * | * | G | 310 helix | trans | -67.1 | -20.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | P364 V365 | P364-A367 HydrophobicContact CG-CB 4.33Å; P364-A367 WeakPolarHBondContact O-CB 3.44Å; P364-A367 PolarHBondContact O-N 3.09Å; V365-A367 VanDerWaalsContact C-N 3.26Å; V365-A367 PolarHBondContact O-N 3.19Å |
| 368 | S | 57.2 | Low | 49.5 | Very low | 93 Ų | 93 | 126.1 Ų | 126.1 | 65% | 0.65 | 66% | 0.663 | S | S | * | * | G | 310 helix | trans | -85.8 | -6.4 | 174.2 | 50.9 | 0 | 0 | 0 | 0 | 113.9 | V365 Y366 T370 | V365-S368 PolarHBondContact O-OG 2.93Å; V365-S368 VanDerWaalsContact O-OG 3.13Å; Y366-S368 PolarHBondContact O-N 3.38Å; S368-T370 PolarHBondContact O-N 2.89Å |
| 369 | L | 60.2 | Low | 48.5 | Very low | 25 Ų | 25 | 131 Ų | 131 | 13% | 0.131 | 68% | 0.675 | C | S | . | * | trans | -82.8 | 80.2 | -176.3 | -63.2 | -179.8 | 0 | 0 | 0 | 112.4 | F340 I342 E345 L346 Y366 | F340-L369 HydrophobicContact CZ-CB 4.27Å; I342-L369 HydrophobicContact CG2-CD1 4.13Å; E345-L369 HydrophobicContact CB-CD1 4.45Å; E345-L369 HydrophobicContact CG-CD1 4.34Å; E345-L369 HydrophobicContact CG-CD2 4.05Å; L346-L369 HydrophobicContact CD2-CD1 3.72Å; L346-L369 HydrophobicContact CG-CD1 3.75Å; Y366-L369 WeakPolarHBondContact O-CB 3.49Å; Y366-L369 PolarHBondContact O-N 2.68Å; Y366-L369 VanDerWaalsContact O-N 3.09Å | ||
| 370 | T | 51.5 | Low | 47.7 | Very low | 111 Ų | 111 | 126.9 Ų | 126.9 | 68% | 0.681 | 67% | 0.669 | S | S | * | * | trans | -73.5 | 135.7 | 170.7 | 60.1 | 0 | 0 | 0 | 0 | 111.7 | S368 R372 | S368-T370 PolarHBondContact O-N 2.89Å; T370-R372 PolarHBondContact O-N 3.47Å | ||
| 371 | P | 46 | Very low | 46.6 | Very low | 97 Ų | 97 | 122.5 Ų | 122.5 | 63% | 0.63 | 67% | 0.671 | S | S | * | * | trans | -61.4 | 100.9 | 175.1 | -25.3 | 35 | 0 | 0 | 0 | 111.8 | F340 S373 | F340-P371 HydrophobicContact CD1-CB 4.44Å; F340-P371 HydrophobicContact CD1-CG 3.97Å; F340-P371 HydrophobicContact CD2-CB 4.48Å; F340-P371 HydrophobicContact CE1-CG 4.15Å; F340-P371 HydrophobicContact CG-CB 4.31Å; F340-P371 HydrophobicContact CG-CG 4.31Å; P371-S373 PolarHBondContact O-N 2.98Å; P371-S373 VanDerWaalsContact O-N 3.09Å | ||
| 372 | R | 41.6 | Very low | 45.5 | Very low | 233 Ų | 233 | 126.9 Ų | 126.9 | 88% | 0.879 | 69% | 0.689 | S | S | * | * | trans | -78.1 | 100 | -171 | -153.4 | 174.8 | -172.7 | -168.9 | 2.8 | 110.4 | T370 R374 | T370-R372 PolarHBondContact O-N 3.47Å; R372-R374 PolarHBondContact O-N 2.8Å | ||
| 373 | S | 37 | Very low | 44.1 | Very low | 112 Ų | 112 | 126.4 Ų | 126.4 | 78% | 0.783 | 69% | 0.685 | S | S | * | * | trans | -60 | 102 | 177.9 | 60 | 0 | 0 | 0 | 0 | 110.8 | P371 P375 | P371-S373 PolarHBondContact O-N 2.98Å; P371-S373 VanDerWaalsContact O-N 3.09Å; S373-P375 WeakPolarHBondContact O-CD 3.36Å | ||
| 374 | R | 33.3 | Very low | 42.6 | Very low | 234 Ų | 234 | 127.1 Ų | 127.1 | 88% | 0.883 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 119.9 | -175.5 | -165.7 | 179.7 | -165.6 | 178.2 | 6.1 | 110 | R372 R376 | R372-R374 PolarHBondContact O-N 2.8Å; R374-R376 PolarHBondContact O-N 3.32Å |
| 375 | P | 34 | Very low | 41.6 | Very low | 112 Ų | 112 | 130.9 Ų | 130.9 | 73% | 0.727 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 135.2 | 176.3 | 25.2 | -33 | 0 | 0 | 0 | 109.3 | S373 | S373-P375 WeakPolarHBondContact O-CD 3.36Š|
| 376 | R | 30 | Very low | 39.9 | Very low | 238 Ų | 238 | 131.9 Ų | 131.9 | 90% | 0.898 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 129.2 | 174.3 | -77.6 | -179 | 171.8 | 167.3 | -2.3 | 108.9 | R374 | R374-R376 PolarHBondContact O-N 3.32Š|
| 377 | P | 38.5 | Very low | 38.4 | Very low | 110 Ų | 110 | 134.5 Ų | 134.5 | 71% | 0.714 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 145.6 | 168.1 | 29.1 | -33.7 | 0 | 0 | 0 | 109.5 | ||
| 378 | P | 32.8 | Very low | 37.5 | Very low | 131 Ų | 131 | 136.5 Ų | 136.5 | 85% | 0.851 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -63 | 144.2 | 166.3 | 29.7 | -34 | 0 | 0 | 0 | 109 | ||
| 379 | K | 31.7 | Very low | 35.9 | Very low | 187 Ų | 187 | 137.2 Ų | 137.2 | 81% | 0.813 | 77% | 0.768 | S | S | * | * | trans | -118.2 | 115 | 179.7 | -174 | -170.6 | 176.2 | -179 | 0 | 108.7 | ||||
| 380 | D | 34.2 | Very low | 34.4 | Very low | 139 Ų | 139 | 141 Ų | 141 | 74% | 0.743 | 80% | 0.797 | S | S | * | * | 178.7 | 161.9 | 127.5 | -91.1 | -20.1 | 0 | 0 | 0 | 112.4 | |||||
| 381 | S | 30.9 | Very low | 33.3 | Very low | 123 Ų | 123 | 141.8 Ų | 141.8 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | trans | 97.9 | 128.9 | 172.9 | -44.3 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 382 | Q | 31.9 | Very low | 32.5 | Very low | 198 Ų | 198 | 146 Ų | 146 | 93% | 0.925 | 81% | 0.812 | S | S | * | * | trans | -95.9 | 140.8 | 173.1 | -66.4 | -179.8 | -24.1 | 0 | 0 | 110.7 | ||||
| 383 | A | 27.4 | Very low | 31.9 | Very low | 101 Ų | 101 | 142.5 Ų | 142.5 | 84% | 0.835 | 81% | 0.806 | S | S | * | * | trans | -170.2 | 144.5 | 136.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 384 | S | 28.9 | Very low | 31.4 | Very low | 120 Ų | 120 | 142 Ų | 142 | 84% | 0.839 | 80% | 0.798 | S | S | * | * | trans | -141.5 | 164.1 | 172.3 | -61.7 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 385 | P | 42.7 | Very low | 31.2 | Very low | 133 Ų | 133 | 140.8 Ų | 140.8 | 86% | 0.864 | 79% | 0.793 | S | S | * | * | cis | -125.3 | 169.8 | -27.6 | 35.8 | -20.8 | 0 | 0 | 0 | 112.4 | ||||
| 386 | G | 25.6 | Very low | 30.8 | Very low | 71 Ų | 71 | 143.7 Ų | 143.7 | 73% | 0.732 | 80% | 0.801 | S | S | * | * | trans | -172.4 | 123 | 171.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 387 | H | 27.4 | Very low | 30.7 | Very low | 190 Ų | 190 | 137.1 Ų | 137.1 | 88% | 0.88 | 80% | 0.797 | S | S | * | * | trans | -148.4 | 166.6 | 177.5 | -92.6 | -56 | 0 | 0 | 0 | 108.1 | ||||
| 388 | P | 44.7 | Very low | 30.2 | Very low | 108 Ų | 108 | 136.4 Ų | 136.4 | 70% | 0.701 | 80% | 0.801 | S | S | * | * | cis | -130.5 | -179.7 | -11.8 | 36.9 | -20 | 0 | 0 | 0 | 113.7 | ||||
| 389 | S | 23.8 | Very low | 29.9 | Very low | 109 Ų | 109 | 135 Ų | 135 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | 157.7 | 161 | 112 | 58.2 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 390 | S | 29.1 | Very low | 30.5 | Very low | 104 Ų | 104 | 132.3 Ų | 132.3 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | trans | 71 | 112.3 | 161.9 | 55.9 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 391 | V | 28.8 | Very low | 30.3 | Very low | 128 Ų | 128 | 134.8 Ų | 134.8 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | 51.3 | 126.4 | 116.7 | -176.4 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 392 | E | 27.7 | Very low | 30.2 | Very low | 186 Ų | 186 | 134.4 Ų | 134.4 | 87% | 0.869 | 80% | 0.797 | S | S | * | * | -157.7 | -177.8 | 59.4 | -151.8 | 149 | 150.3 | 0 | 0 | 115.1 | |||||
| 393 | E | 28.9 | Very low | 30 | Very low | 158 Ų | 158 | 131.5 Ų | 131.5 | 74% | 0.738 | 79% | 0.793 | S | S | * | * | trans | -116.2 | 170.8 | -174.8 | -159.9 | -165.4 | 154.7 | 0 | 0 | 111.4 | ||||
| 394 | V | 26.6 | Very low | 30 | Very low | 101 Ų | 101 | 129.8 Ų | 129.8 | 61% | 0.612 | 79% | 0.786 | S | S | * | * | trans | 156.3 | 109.5 | 133.9 | 162.9 | 0 | 0 | 0 | 0 | 114 | ||||
| 395 | R | 29.4 | Very low | 30.4 | Very low | 209 Ų | 209 | 130.5 Ų | 130.5 | 79% | 0.789 | 79% | 0.788 | S | S | * | * | trans | 36.7 | 135.8 | 137.6 | -58.7 | 174.2 | -89.3 | -152.4 | -8 | 122.6 | ||||
| 396 | I | 26.5 | Very low | 29.9 | Very low | 173 Ų | 173 | 135.4 Ų | 135.4 | 89% | 0.887 | 79% | 0.789 | S | S | * | * | trans | -96.7 | 145.6 | 160.2 | -63.2 | 171.5 | 0 | 0 | 0 | 109.5 | ||||
| 397 | A | 27.5 | Very low | 30.5 | Very low | 100 Ų | 100 | 137.7 Ų | 137.7 | 83% | 0.826 | 79% | 0.791 | S | S | * | * | trans | -105.9 | 165.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 398 | A | 28 | Very low | 30.4 | Very low | 95 Ų | 95 | 133.2 Ų | 133.2 | 79% | 0.785 | 78% | 0.781 | S | S | * | * | trans | -129.5 | 149.3 | -167.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 399 | S | 27.2 | Very low | 29.6 | Very low | 102 Ų | 102 | 135.8 Ų | 135.8 | 71% | 0.713 | 79% | 0.788 | S | S | * | * | trans | 50.7 | 145.2 | 151.1 | -142 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 400 | P | 43.7 | Very low | 30 | Very low | 131 Ų | 131 | 141.4 Ų | 141.4 | 85% | 0.851 | 79% | 0.792 | S | S | * | * | -146.1 | 171.3 | 91 | 36.9 | -19.3 | 0 | 0 | 0 | 117.7 | |||||
| 401 | K | 30.3 | Very low | 30.5 | Very low | 190 Ų | 190 | 141.4 Ų | 141.4 | 83% | 0.826 | 79% | 0.79 | S | S | * | * | trans | -75.7 | 165.4 | -172 | -52.3 | 155.1 | -179.9 | 173.1 | 0 | 115.5 | ||||
| 402 | S | 27.6 | Very low | 30.4 | Very low | 115 Ų | 115 | 143.8 Ų | 143.8 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | trans | 140.3 | 157.7 | 139.8 | 58.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 403 | T | 28.8 | Very low | 30.4 | Very low | 137 Ų | 137 | 146 Ų | 146 | 84% | 0.84 | 80% | 0.798 | S | S | * | * | cis | -162.6 | 159.5 | -29.9 | -78.7 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 404 | G | 26.9 | Very low | 30.2 | Very low | 66 Ų | 66 | 145.3 Ų | 145.3 | 68% | 0.68 | 80% | 0.798 | S | S | * | * | trans | -75.9 | -167.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 405 | P | 37.2 | Very low | 30.3 | Very low | 135 Ų | 135 | 148.8 Ų | 148.8 | 88% | 0.877 | 81% | 0.808 | S | S | * | * | cis | -136.1 | -161.2 | 15.8 | 42.9 | -23.6 | 0 | 0 | 0 | 115.9 | ||||
| 406 | R | 32.9 | Very low | 30.3 | Very low | 236 Ų | 236 | 145.4 Ų | 145.4 | 89% | 0.891 | 81% | 0.81 | S | S | * | * | trans | -101.1 | 166 | 171.9 | -74.2 | -177.1 | 169.6 | -171.4 | -3.8 | 112.4 | ||||
| 407 | P | 38 | Very low | 30.3 | Very low | 118 Ų | 118 | 146.7 Ų | 146.7 | 77% | 0.766 | 81% | 0.809 | S | S | * | * | -150.9 | 167.4 | 113.8 | 40.2 | -23.9 | 0 | 0 | 0 | 118.7 | |||||
| 408 | S | 26 | Very low | 30.2 | Very low | 97 Ų | 97 | 144.8 Ų | 144.8 | 68% | 0.678 | 80% | 0.799 | S | S | * | * | trans | 52 | 103.3 | 143.9 | 61.8 | 0 | 0 | 0 | 0 | 125.9 | ||||
| 409 | L | 27.3 | Very low | 30.2 | Very low | 161 Ų | 161 | 148.9 Ų | 148.9 | 84% | 0.843 | 80% | 0.802 | S | S | * | * | 61.7 | 136.1 | 106.2 | -70.5 | 177.4 | 0 | 0 | 0 | 126.1 | |||||
| 410 | R | 31.3 | Very low | 30.2 | Very low | 227 Ų | 227 | 150.2 Ų | 150.2 | 86% | 0.857 | 81% | 0.805 | S | S | * | * | trans | 89.1 | 156 | 143.7 | -71.5 | -79.6 | -173 | 164.6 | 1.3 | 119.9 | ||||
| 411 | P | 40.6 | Very low | 29.4 | Very low | 104 Ų | 104 | 153.1 Ų | 153.1 | 68% | 0.675 | 81% | 0.807 | S | S | * | * | trans | -132.2 | -172.9 | -145.2 | 45.7 | -29.9 | 0 | 0 | 0 | 116 | ||||
| 412 | L | 27 | Very low | 29.3 | Very low | 178 Ų | 178 | 153 Ų | 153 | 93% | 0.932 | 81% | 0.81 | S | S | * | * | trans | -131.4 | 163.2 | 164.7 | -77.4 | 173.4 | 0 | 0 | 0 | 112.6 | ||||
| 413 | R | 26.8 | Very low | 29.7 | Very low | 234 Ų | 234 | 153.5 Ų | 153.5 | 88% | 0.883 | 81% | 0.811 | S | S | * | * | trans | -103.8 | -166.4 | -179 | -83.5 | 175.7 | 142.9 | -179.4 | -6.5 | 111 | ||||
| 414 | L | 25.8 | Very low | 29.6 | Very low | 143 Ų | 143 | 151.9 Ų | 151.9 | 75% | 0.749 | 81% | 0.811 | S | S | * | * | trans | 88.5 | 139.9 | 172.3 | -75.1 | 67.2 | 0 | 0 | 0 | 113.7 | ||||
| 415 | E | 27.5 | Very low | 29.7 | Very low | 173 Ų | 173 | 159.6 Ų | 159.6 | 81% | 0.808 | 82% | 0.819 | S | S | * | * | cis | -151.6 | 178.9 | -0.7 | -139.4 | 155.9 | -149 | 0 | 0 | 113.5 | ||||
| 416 | V | 29.1 | Very low | 29.4 | Very low | 139 Ų | 139 | 159.5 Ų | 159.5 | 84% | 0.842 | 81% | 0.811 | S | S | * | * | trans | -109.1 | 127.7 | -178.2 | 170.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 417 | K | 27.1 | Very low | 29.3 | Very low | 200 Ų | 200 | 155.9 Ų | 155.9 | 87% | 0.87 | 80% | 0.804 | S | S | * | * | trans | -176.4 | 152.2 | 150.1 | -106.2 | -177.5 | 175.8 | -165.7 | 0 | 107.6 | ||||
| 418 | G | 25.8 | Very low | 28.8 | Very low | 59 Ų | 59 | 158.1 Ų | 158.1 | 61% | 0.608 | 80% | 0.804 | S | S | * | * | cis | 156.4 | 168.1 | 2.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 419 | E | 26.5 | Very low | 29.3 | Very low | 181 Ų | 181 | 161.5 Ų | 161.5 | 85% | 0.846 | 81% | 0.809 | S | S | * | * | trans | 69.8 | 110.2 | -178.2 | -64.1 | 154.8 | -147.7 | 0 | 0 | 113.2 | ||||
| 420 | V | 27.1 | Very low | 29.9 | Very low | 130 Ų | 130 | 163.1 Ų | 163.1 | 79% | 0.788 | 81% | 0.813 | S | S | * | * | cis | 89.2 | 108 | 49.1 | 173.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 421 | H | 27.2 | Very low | 30.3 | Very low | 193 Ų | 193 | 161.1 Ų | 161.1 | 89% | 0.894 | 81% | 0.813 | S | S | * | * | trans | -153.6 | 124.9 | 153.3 | -87.3 | -69.8 | 0 | 0 | 0 | 109.3 | ||||
| 422 | Q | 28.4 | Very low | 30.3 | Very low | 186 Ų | 186 | 165.3 Ų | 165.3 | 87% | 0.869 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -91 | 144 | 160.3 | -77.5 | 175.9 | -44.1 | 0 | 0 | 109.3 | ||
| 423 | P | 36.6 | Very low | 30.8 | Very low | 127 Ų | 127 | 164.8 Ų | 164.8 | 83% | 0.825 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 164.8 | 156.3 | 35.8 | -31.5 | 0 | 0 | 0 | 111.2 | ||
| 424 | A | 26.5 | Very low | 31.3 | Very low | 102 Ų | 102 | 162.2 Ų | 162.2 | 84% | 0.843 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -96.3 | 160.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 425 | R | 29.1 | Very low | 31.9 | Very low | 229 Ų | 229 | 163 Ų | 163 | 86% | 0.864 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -93.8 | 173 | -176.9 | -169.8 | 179 | 177.8 | -178.3 | 0.5 | 111.7 | ||
| 426 | L | 31.4 | Very low | 32.4 | Very low | 133 Ų | 133 | 163.2 Ų | 163.2 | 70% | 0.696 | 82% | 0.82 | S | S | * | * | trans | 82.5 | 132.8 | 169.5 | -51.7 | 174.2 | 0 | 0 | 0 | 113.9 | ||||
| 427 | Q | 29.1 | Very low | 32.7 | Very low | 160 Ų | 160 | 165 Ų | 165 | 75% | 0.748 | 82% | 0.819 | S | S | * | * | cis | -142.5 | 175.9 | -2.7 | -92.4 | 136.7 | -11 | 0 | 0 | 106.9 | ||||
| 428 | Q | 28.3 | Very low | 33.2 | Very low | 165 Ų | 165 | 162.3 Ų | 162.3 | 77% | 0.771 | 81% | 0.81 | S | S | * | * | cis | -157.3 | 160.9 | 16.6 | -151.3 | 164.3 | -45.3 | 0 | 0 | 109.7 | ||||
| 429 | E | 37.6 | Very low | 33.9 | Very low | 168 Ų | 168 | 166.9 Ų | 166.9 | 79% | 0.785 | 82% | 0.816 | S | S | * | * | trans | -76.8 | 131.6 | 170.7 | -54.2 | 91.1 | 170.7 | 0 | 0 | 112.4 | ||||
| 430 | E | 39.6 | Very low | 34.6 | Very low | 195 Ų | 195 | 166 Ų | 166 | 91% | 0.911 | 81% | 0.811 | S | S | * | * | trans | -173.8 | 23.7 | 154.1 | -115.5 | 171.9 | -147.3 | 0 | 0 | 114.9 | ||||
| 431 | E | 39.8 | Very low | 35.2 | Very low | 185 Ų | 185 | 162.9 Ų | 162.9 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | trans | -135.7 | 76.5 | 178 | -72.2 | -177.6 | 164.7 | 0 | 0 | 111.8 | ||||
| 432 | E | 40.8 | Very low | 35.7 | Very low | 192 Ų | 192 | 159.4 Ų | 159.4 | 90% | 0.897 | 77% | 0.772 | S | S | * | * | trans | -138 | 85.7 | 167.4 | -75.9 | -174 | 167.2 | 0 | 0 | 108.8 | ||||
| 433 | D | 37.1 | Very low | 36.3 | Very low | 166 Ų | 166 | 158.2 Ų | 158.2 | 89% | 0.888 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -176.7 | -17.7 | 168.9 | -110.5 | -18.4 | 0 | 0 | 0 | 112.4 | ||
| 434 | E | 37.3 | Very low | 36.5 | Very low | 181 Ų | 181 | 159.9 Ų | 159.9 | 85% | 0.846 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -96.2 | -9.6 | -179.6 | -65.9 | -161.2 | 161.1 | 0 | 0 | 115.1 | ||
| 435 | E | 37.7 | Very low | 37 | Very low | 158 Ų | 158 | 159.5 Ų | 159.5 | 74% | 0.738 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -77.7 | -26.3 | -172.8 | -63.5 | -159.3 | 138.1 | 0 | 0 | 114.8 | E437 E438 | E435-E437 PolarHBondContact O-N 3.42Å; E435-E438 PolarHBondContact O-N 3.38Å |
| 436 | E | 37.7 | Very low | 37.4 | Very low | 179 Ų | 179 | 156.1 Ų | 156.1 | 84% | 0.836 | 74% | 0.737 | S | S | * | * | H | α-helix | trans | -69.3 | -24.1 | -176 | -68.5 | -161 | 156.9 | 0 | 0 | 114.5 | ||
| 437 | E | 36.7 | Very low | 37.7 | Very low | 175 Ų | 175 | 155.5 Ų | 155.5 | 82% | 0.818 | 73% | 0.73 | S | S | * | * | H | α-helix | trans | -82.3 | -15.8 | 174.9 | -79.2 | -153.6 | 171.8 | 0 | 0 | 113.9 | E435 | E435-E437 PolarHBondContact O-N 3.42Å |
| 438 | E | 37.6 | Very low | 38.2 | Very low | 145 Ų | 145 | 155.7 Ų | 155.7 | 68% | 0.678 | 73% | 0.732 | S | S | * | * | H | α-helix | trans | -86.4 | -31.4 | 178.1 | -68.5 | -131.7 | 135.4 | 0 | 0 | 113.3 | E435 E441 E442 | E435-E438 PolarHBondContact O-N 3.38Å; E438-E441 PolarHBondContact O-N 2.56Å; E438-E442 PolarHBondContact O-N 3.05Å; E438-E442 VanDerWaalsContact O-N 3.14Å |
| 439 | E | 40.8 | Very low | 38.6 | Very low | 155 Ų | 155 | 152.9 Ų | 152.9 | 72% | 0.724 | 72% | 0.718 | S | S | * | * | H | α-helix | trans | -66.9 | -42.7 | -179.4 | -69 | -146.4 | 139.6 | 0 | 0 | 113.2 | E441 E442 E443 | E439-E441 PolarHBondContact O-N 3.09Å; E439-E442 PolarHBondContact O-N 3.37Å; E439-E443 PolarHBondContact O-N 3.38Å |
| 440 | E | 40.2 | Very low | 38.4 | Very low | 161 Ų | 161 | 152.7 Ų | 152.7 | 75% | 0.752 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -60.1 | -31.5 | 174 | -76.5 | -151.3 | 151.4 | 0 | 0 | 111.8 | ||
| 441 | E | 39.6 | Very low | 38.1 | Very low | 66 Ų | 66 | 154.3 Ų | 154.3 | 31% | 0.308 | 72% | 0.715 | S | S | . | * | H | α-helix | trans | -77.9 | -21.2 | 176.1 | -72.2 | -142.7 | 130.3 | 0 | 0 | 113.7 | E438 E439 K445 R916 | E438-E441 PolarHBondContact O-N 2.56Å; E439-E441 PolarHBondContact O-N 3.09Å; E441-K445 WeakPolarHBondContact O-CD 3.41Å; E441-K445 WeakPolarHBondContact O-CE 3.16Å; E441-K445 VanDerWaalsContact O-CG 3.23Å; E441-K445 WeakPolarHBondContact O-CG 3.33Å; E441-K445 PolarHBondContact O-NZ 2.97Å; E441-R916 IonicContact OE1-CZ 3.49Å; E441-R916 IonicContact OE1-NE 3.17Å; E441-R916 PolarHBondContact OE1-NE 3.38Å; E441-R916 IonicContact OE1-NH1 2.67Å; E441-R916 PolarHBondContact OE1-NH1 3.08Å; E441-R916 IonicContact OE1-NH2 2.77Å; E441-R916 PolarHBondContact OE1-NH2 2.88Å; E441-R916 IonicContact OE2-CZ 3.99Å; E441-R916 IonicContact OE2-NE 3.31Å; E441-R916 IonicContact OE2-NH1 3.81Å; E441-R916 PolarHBondContact OE2-NH1 3.22Å; E441-R916 IonicContact OE2-NH2 2.72Å; E441-R916 PolarHBondContact OE2-NH2 3.09Å |
| 442 | E | 37.1 | Very low | 38.1 | Very low | 119 Ų | 119 | 148.4 Ų | 148.4 | 56% | 0.556 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -76.5 | -43.3 | 173.2 | -73.7 | -76 | 92.9 | 0 | 0 | 111.4 | E438 E439 E444 K445 E446 | E438-E442 PolarHBondContact O-N 3.05Å; E438-E442 VanDerWaalsContact O-N 3.14Å; E439-E442 PolarHBondContact O-N 3.37Å; E442-E444 PolarHBondContact O-N 2.84Å; E442-K445 WeakPolarHBondContact O-CB 3.36Å; E442-K445 PolarHBondContact O-N 3.28Å; E442-K445 VanDerWaalsContact O-N 3.1Å; E442-K445 IonicContact OE1-NZ 3.55Å; E442-K445 PolarHBondContact OE1-NZ 3.19Å; E442-E446 PolarHBondContact O-N 3.36Å |
| 443 | E | 42.7 | Very low | 37.6 | Very low | 162 Ų | 162 | 148 Ų | 148 | 76% | 0.757 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -62.1 | -41.4 | 179.6 | -73 | -144.8 | 143.3 | 0 | 0 | 113 | E439 K445 E446 E447 | E439-E443 PolarHBondContact O-N 3.38Å; E443-K445 PolarHBondContact O-N 2.84Å; E443-E446 PolarHBondContact O-N 2.75Å; E443-E447 PolarHBondContact O-N 3.38Å |
| 444 | E | 39.7 | Very low | 37.3 | Very low | 161 Ų | 161 | 150 Ų | 150 | 75% | 0.752 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -63.6 | -28 | 175.7 | -78.4 | -147.4 | 146.9 | 0 | 0 | 112.8 | E442 | E442-E444 PolarHBondContact O-N 2.84Å |
| 445 | K | 37.7 | Very low | 37 | Very low | 95 Ų | 95 | 152.9 Ų | 152.9 | 41% | 0.413 | 70% | 0.698 | S | S | . | * | H | α-helix | trans | -73 | -37 | 176.8 | -66.7 | 172.3 | -151.6 | 108.2 | 0 | 111.9 | E441 E442 E443 E448 E449 | E441-K445 WeakPolarHBondContact O-CD 3.41Å; E441-K445 WeakPolarHBondContact O-CE 3.16Å; E441-K445 VanDerWaalsContact O-CG 3.23Å; E441-K445 WeakPolarHBondContact O-CG 3.33Å; E441-K445 PolarHBondContact O-NZ 2.97Å; E442-K445 WeakPolarHBondContact O-CB 3.36Å; E442-K445 PolarHBondContact O-N 3.28Å; E442-K445 VanDerWaalsContact O-N 3.1Å; E442-K445 IonicContact OE1-NZ 3.55Å; E442-K445 PolarHBondContact OE1-NZ 3.19Å; E443-K445 PolarHBondContact O-N 2.84Å; K445-E448 PolarHBondContact O-N 2.89Å; K445-E449 PolarHBondContact O-N 3.38Å |
| 446 | E | 38.1 | Very low | 37.1 | Very low | 158 Ų | 158 | 151.4 Ų | 151.4 | 74% | 0.738 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -68.4 | -40.2 | -179.4 | -71.2 | -118.8 | 124.5 | 0 | 0 | 112.3 | E442 E443 E448 E449 E450 | E442-E446 PolarHBondContact O-N 3.36Å; E443-E446 PolarHBondContact O-N 2.75Å; E446-E448 VanDerWaalsContact C-N 3.31Å; E446-E448 PolarHBondContact O-N 2.79Å; E446-E449 PolarHBondContact O-N 2.67Å; E446-E450 PolarHBondContact O-N 2.92Å |
| 447 | E | 37.2 | Very low | 36.6 | Very low | 119 Ų | 119 | 146.8 Ų | 146.8 | 56% | 0.556 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -62.4 | -32.3 | 175 | -86.9 | -117.3 | 149.5 | 0 | 0 | 112.8 | E443 R883 | E443-E447 PolarHBondContact O-N 3.38Å; E447-R883 IonicContact OE1-CZ 2.68Å; E447-R883 IonicContact OE1-NH2 3.8Å; E447-R883 PolarHBondContact OE1-NH2 2.93Å; E447-R883 IonicContact OE2-CZ 2.78Å; E447-R883 IonicContact OE2-NH1 2.93Å; E447-R883 PolarHBondContact OE2-NH1 2.9Å; E447-R883 IonicContact OE2-NH2 3.26Å; E447-R883 PolarHBondContact OE2-NH2 3.06Å |
| 448 | E | 38.5 | Very low | 36.4 | Very low | 165 Ų | 165 | 150.6 Ų | 150.6 | 77% | 0.771 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -75.5 | -33.1 | 175.9 | -77.5 | -137.6 | 132.4 | 0 | 0 | 113.6 | K445 E446 | K445-E448 PolarHBondContact O-N 2.89Å; E446-E448 VanDerWaalsContact C-N 3.31Å; E446-E448 PolarHBondContact O-N 2.79Å |
| 449 | E | 38 | Very low | 36 | Very low | 106 Ų | 106 | 147 Ų | 147 | 50% | 0.495 | 71% | 0.711 | S | S | . | * | H | α-helix | trans | -76.9 | -28.3 | -178 | -90.2 | -92.1 | 155.7 | 0 | 0 | 113.9 | K445 E446 W451 G452 R453 | K445-E449 PolarHBondContact O-N 3.38Å; E446-E449 PolarHBondContact O-N 2.67Å; E449-W451 VanDerWaalsContact C-N 3.27Å; E449-W451 PolarHBondContact O-N 3.4Å; E449-W451 VanDerWaalsContact O-N 3.13Å; E449-G452 PolarHBondContact O-N 2.81Å; E449-R453 IonicContact OE1-CZ 3.62Å; E449-R453 IonicContact OE1-NH2 3.76Å; E449-R453 PolarHBondContact OE1-NH2 3.29Å; E449-R453 IonicContact OE2-CZ 3.37Å; E449-R453 IonicContact OE2-NE 3.59Å; E449-R453 PolarHBondContact OE2-NE 3.34Å; E449-R453 IonicContact OE2-NH2 2.74Å; E449-R453 PolarHBondContact OE2-NH2 3.44Å |
| 450 | E | 33.6 | Very low | 35.6 | Very low | 164 Ų | 164 | 148 Ų | 148 | 77% | 0.766 | 72% | 0.721 | S | S | * | * | G | 310 helix | trans | -59.7 | -33.8 | -168.6 | -150.1 | -145.6 | 161.5 | 0 | 0 | 113.5 | E446 G452 | E446-E450 PolarHBondContact O-N 2.92Å; E450-G452 PolarHBondContact O-N 3.5Å; E450-G452 VanDerWaalsContact O-N 3.12Å |
| 451 | W | 32.4 | Very low | 36.1 | Very low | 228 Ų | 228 | 145.5 Ų | 145.5 | 86% | 0.864 | 72% | 0.718 | S | S | * | * | G | 310 helix | trans | -73.3 | 0.4 | 179.4 | -72.2 | 89.4 | 0 | 0 | 0 | 114.3 | E449 | E449-W451 VanDerWaalsContact C-N 3.27Å; E449-W451 PolarHBondContact O-N 3.4Å; E449-W451 VanDerWaalsContact O-N 3.13Å |
| 452 | G | 40.4 | Very low | 35.5 | Very low | 61 Ų | 61 | 154.8 Ų | 154.8 | 63% | 0.629 | 75% | 0.751 | S | S | * | * | G | 310 helix | trans | -92 | -30.8 | -166.4 | 0 | 0 | 0 | 0 | 0 | 118.6 | E449 E450 | E449-G452 PolarHBondContact O-N 2.81Å; E450-G452 PolarHBondContact O-N 3.5Å; E450-G452 VanDerWaalsContact O-N 3.12Å |
| 453 | R | 29.2 | Very low | 35.3 | Very low | 183 Ų | 183 | 154.5 Ų | 154.5 | 69% | 0.691 | 76% | 0.757 | S | S | * | * | trans | -133.5 | 104 | -154.5 | -55.9 | -175.3 | -166.3 | -94.4 | 0.4 | 117 | E449 | E449-R453 IonicContact OE1-CZ 3.62Å; E449-R453 IonicContact OE1-NH2 3.76Å; E449-R453 PolarHBondContact OE1-NH2 3.29Å; E449-R453 IonicContact OE2-CZ 3.37Å; E449-R453 IonicContact OE2-NE 3.59Å; E449-R453 PolarHBondContact OE2-NE 3.34Å; E449-R453 IonicContact OE2-NH2 2.74Å; E449-R453 PolarHBondContact OE2-NH2 3.44Å | ||
| 454 | K | 31.2 | Very low | 35.1 | Very low | 209 Ų | 209 | 155.8 Ų | 155.8 | 91% | 0.909 | 76% | 0.76 | S | S | * | * | trans | -98.1 | 110.7 | 159.7 | -69 | -62.5 | -175.9 | -162.2 | 0 | 111.4 | ||||
| 455 | R | 32 | Very low | 34.7 | Very low | 241 Ų | 241 | 155.7 Ų | 155.7 | 91% | 0.909 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 142.9 | 176 | -61.9 | 177.9 | 180 | 172.2 | 0 | 112.4 | ||
| 456 | P | 39.3 | Very low | 34.3 | Very low | 127 Ų | 127 | 154.3 Ų | 154.3 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -99.2 | 116.2 | 148.1 | 32.7 | -25.5 | 0 | 0 | 0 | 110 | ||
| 457 | G | 27.3 | Very low | 34.1 | Very low | 82 Ų | 82 | 158.4 Ų | 158.4 | 85% | 0.845 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 151.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 458 | R | 30.9 | Very low | 34 | Very low | 256 Ų | 256 | 161.9 Ų | 161.9 | 97% | 0.966 | 80% | 0.799 | S | S | * | * | trans | -139.9 | 136.2 | 169.1 | -139.7 | -157.4 | -51 | -94.8 | 6 | 109.4 | ||||
| 459 | G | 29 | Very low | 33.6 | Very low | 68 Ų | 68 | 160.8 Ų | 160.8 | 70% | 0.701 | 80% | 0.797 | S | S | * | * | trans | -168.3 | 115.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 460 | L | 33.8 | Very low | 33.4 | Very low | 177 Ų | 177 | 163.1 Ų | 163.1 | 93% | 0.927 | 81% | 0.808 | S | S | * | * | 167.4 | 140.8 | 128.9 | -88.9 | 168.4 | 0 | 0 | 0 | 110.1 | |||||
| 461 | P | 50.1 | Low | 33.4 | Very low | 109 Ų | 109 | 160 Ų | 160 | 71% | 0.708 | 81% | 0.805 | S | S | * | * | trans | -102.9 | 163.4 | 178.7 | 39 | -33.8 | 0 | 0 | 0 | 113.2 | ||||
| 462 | W | 28 | Very low | 33.4 | Very low | 261 Ų | 261 | 154.3 Ų | 154.3 | 99% | 0.989 | 80% | 0.8 | S | S | * | * | trans | -150.1 | 174 | 159.8 | -106.5 | -15.1 | 0 | 0 | 0 | 113.2 | ||||
| 463 | T | 33 | Very low | 33 | Very low | 112 Ų | 112 | 157.3 Ų | 157.3 | 69% | 0.687 | 81% | 0.805 | S | S | * | * | trans | -134.5 | 156 | -145.9 | 61.4 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 464 | K | 36.8 | Very low | 33.4 | Very low | 190 Ų | 190 | 153.9 Ų | 153.9 | 83% | 0.826 | 81% | 0.808 | S | S | * | * | trans | 78.2 | 146.9 | 146.7 | -82.7 | 174.6 | 176.9 | 174.6 | 0 | 120.8 | ||||
| 465 | L | 31.3 | Very low | 34.4 | Very low | 159 Ų | 159 | 149.2 Ų | 149.2 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | trans | 65.5 | 144.3 | 169.7 | -85.3 | 69.8 | 0 | 0 | 0 | 117.7 | ||||
| 466 | G | 29.8 | Very low | 34.4 | Very low | 65 Ų | 65 | 143.5 Ų | 143.5 | 67% | 0.67 | 79% | 0.791 | S | S | * | * | cis | 162.4 | 159.8 | -14.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 467 | R | 33.3 | Very low | 34.2 | Very low | 244 Ų | 244 | 148.5 Ų | 148.5 | 92% | 0.921 | 79% | 0.793 | S | S | * | * | trans | 80.6 | 160.4 | 167.9 | -51.6 | -175.1 | -171.4 | -86.7 | -1.2 | 118.1 | ||||
| 468 | K | 35.4 | Very low | 34.7 | Very low | 193 Ų | 193 | 155.6 Ų | 155.6 | 84% | 0.839 | 80% | 0.795 | S | S | * | * | trans | -104 | 164.9 | -174.5 | -50.6 | 175 | 176.8 | -178.5 | 0 | 111.1 | ||||
| 469 | L | 30.7 | Very low | 35.1 | Very low | 141 Ų | 141 | 148.5 Ų | 148.5 | 74% | 0.738 | 78% | 0.784 | S | S | * | * | -178.2 | 152.4 | 103.4 | -157.8 | 57.9 | 0 | 0 | 0 | 114 | |||||
| 470 | E | 33 | Very low | 35.3 | Very low | 155 Ų | 155 | 156.3 Ų | 156.3 | 72% | 0.724 | 79% | 0.792 | S | S | * | * | trans | -33.1 | 166.7 | 168.1 | -77.5 | 131.9 | -133.4 | 0 | 0 | 120.6 | ||||
| 471 | S | 34.3 | Very low | 35.4 | Very low | 100 Ų | 100 | 157 Ų | 157 | 70% | 0.699 | 78% | 0.782 | S | S | * | * | cis | -171.9 | 177.8 | -4.9 | 51.4 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 472 | S | 33.4 | Very low | 35 | Very low | 108 Ų | 108 | 158.9 Ų | 158.9 | 76% | 0.755 | 79% | 0.786 | S | S | * | * | trans | 88 | 144.4 | 147.6 | 87.6 | 0 | 0 | 0 | 0 | 119 | ||||
| 473 | V | 32.2 | Very low | 35.7 | Very low | 124 Ų | 124 | 153.3 Ų | 153.3 | 75% | 0.752 | 78% | 0.775 | S | S | * | * | cis | -158.7 | 135.3 | -9.6 | 112.4 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 474 | C | 35.9 | Very low | 36.7 | Very low | 110 Ų | 110 | 152.8 Ų | 152.8 | 74% | 0.743 | 77% | 0.774 | S | S | * | * | trans | 59.8 | 167.4 | 151.9 | -66 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 475 | P | 53.1 | Low | 36.5 | Very low | 111 Ų | 111 | 151.4 Ų | 151.4 | 72% | 0.721 | 77% | 0.771 | S | S | * | * | cis | -130.4 | 145.7 | 4.1 | 38.4 | -21 | 0 | 0 | 0 | 118.8 | ||||
| 476 | V | 31.2 | Very low | 36.5 | Very low | 122 Ų | 122 | 151.8 Ų | 151.8 | 74% | 0.739 | 77% | 0.773 | S | S | * | * | 50.9 | 124.8 | 128.3 | -174.4 | 0 | 0 | 0 | 0 | 119 | |||||
| 477 | R | 35.8 | Very low | 36.5 | Very low | 231 Ų | 231 | 152.2 Ų | 152.2 | 87% | 0.872 | 78% | 0.776 | S | S | * | * | -165.3 | 144.7 | 57.8 | -144.8 | 160.4 | -160.5 | -174 | 4.2 | 114.6 | |||||
| 478 | R | 38.3 | Very low | 37.7 | Very low | 232 Ų | 232 | 146.1 Ų | 146.1 | 88% | 0.875 | 77% | 0.769 | S | S | * | * | trans | -7.7 | 154 | 158.2 | -65.8 | -179.6 | 177.5 | -175.3 | -2.8 | 120.1 | ||||
| 479 | S | 37.9 | Very low | 37.3 | Very low | 106 Ų | 106 | 149.1 Ų | 149.1 | 74% | 0.741 | 78% | 0.775 | S | S | * | * | cis | -175.9 | -166 | -9.3 | 51.4 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 480 | R | 34.9 | Very low | 37.3 | Very low | 233 Ų | 233 | 149.4 Ų | 149.4 | 88% | 0.879 | 78% | 0.776 | S | S | * | * | cis | -170.8 | 164 | 6.9 | -146.1 | -170.2 | -177.7 | -171.4 | 1.2 | 105.6 | ||||
| 481 | R | 34.8 | Very low | 37 | Very low | 190 Ų | 190 | 146.8 Ų | 146.8 | 72% | 0.717 | 77% | 0.771 | S | S | * | * | cis | -128.7 | -136 | -13 | -167.6 | -149.2 | 178.5 | -95.2 | 3.8 | 106.6 | N483 | R481-N483 PolarHBondContact NH1-O 3.09Š| ||
| 482 | L | 41.6 | Very low | 36.8 | Very low | 150 Ų | 150 | 151.4 Ų | 151.4 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | trans | -156.5 | 175.1 | -179.7 | -69.1 | 174.2 | 0 | 0 | 0 | 110 | ||||
| 483 | N | 42.9 | Very low | 36.7 | Very low | 143 Ų | 143 | 149.8 Ų | 149.8 | 77% | 0.765 | 77% | 0.773 | S | S | * | * | trans | -63 | -172.8 | 158.2 | -76 | 3.4 | 0 | 0 | 0 | 111.4 | R481 | R481-N483 PolarHBondContact NH1-O 3.09Š| ||
| 484 | P | 54.5 | Low | 36.5 | Very low | 101 Ų | 101 | 151.2 Ų | 151.2 | 66% | 0.656 | 78% | 0.776 | S | S | * | * | cis | -143.3 | -157.2 | 12 | 29.9 | -1 | 0 | 0 | 0 | 115.5 | ||||
| 485 | E | 31.2 | Very low | 36.4 | Very low | 162 Ų | 162 | 153.4 Ų | 153.4 | 76% | 0.757 | 78% | 0.775 | S | S | * | * | trans | 99 | 154.5 | 152.2 | -61 | -44.4 | 132.5 | 0 | 0 | 123.6 | ||||
| 486 | L | 32.5 | Very low | 36 | Very low | 167 Ų | 167 | 152.6 Ų | 152.6 | 87% | 0.874 | 77% | 0.77 | S | S | * | * | trans | -93.9 | 162.8 | -173.3 | -59.9 | 153.5 | 0 | 0 | 0 | 112.7 | ||||
| 487 | G | 29.9 | Very low | 36 | Very low | 73 Ų | 73 | 154.2 Ų | 154.2 | 75% | 0.753 | 77% | 0.773 | S | S | * | * | trans | 137.2 | 136.1 | 156.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 488 | P | 56.9 | Low | 35.8 | Very low | 117 Ų | 117 | 149.5 Ų | 149.5 | 76% | 0.76 | 77% | 0.77 | S | S | * | * | trans | -99.6 | 175.8 | -179.9 | 40.1 | -36.2 | 0 | 0 | 0 | 113.5 | ||||
| 489 | W | 28.3 | Very low | 36 | Very low | 255 Ų | 255 | 143.8 Ų | 143.8 | 97% | 0.966 | 76% | 0.763 | S | S | * | * | trans | 176.7 | 165.3 | 130.9 | -98 | 95.1 | 0 | 0 | 0 | 109 | ||||
| 490 | L | 30.5 | Very low | 35.6 | Very low | 147 Ų | 147 | 144.3 Ų | 144.3 | 77% | 0.77 | 77% | 0.767 | S | S | * | * | trans | -120.5 | 160.5 | -156.7 | -157 | 79.6 | 0 | 0 | 0 | 113.6 | ||||
| 491 | T | 27.7 | Very low | 35.1 | Very low | 101 Ų | 101 | 141.1 Ų | 141.1 | 62% | 0.62 | 76% | 0.762 | S | S | * | * | 146.8 | 136.3 | 126.3 | 57.1 | 0 | 0 | 0 | 0 | 118.5 | |||||
| 492 | F | 28.6 | Very low | 35.5 | Very low | 196 Ų | 196 | 136.4 Ų | 136.4 | 86% | 0.86 | 76% | 0.756 | S | S | * | * | trans | 64.5 | 143.2 | 148.4 | -57.3 | -41.4 | 0 | 0 | 0 | 122.5 | ||||
| 493 | A | 31.8 | Very low | 34.8 | Very low | 75 Ų | 75 | 137.9 Ų | 137.9 | 62% | 0.62 | 76% | 0.759 | S | S | * | * | cis | -166.2 | 158.1 | -10.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 494 | D | 28.7 | Very low | 33.9 | Very low | 153 Ų | 153 | 135 Ų | 135 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | trans | 54.4 | 150.7 | 148.1 | -57.8 | -22 | 0 | 0 | 0 | 122.7 | ||||
| 495 | E | 32.3 | Very low | 32.5 | Very low | 156 Ų | 156 | 135 Ų | 135 | 73% | 0.729 | 77% | 0.771 | S | S | * | * | cis | -157.9 | -177.6 | -0.9 | -127.2 | -142.7 | 104.8 | 0 | 0 | 107.8 | ||||
| 496 | P | 45.1 | Very low | 32.8 | Very low | 94 Ų | 94 | 135.2 Ų | 135.2 | 61% | 0.61 | 78% | 0.777 | S | S | * | * | cis | -137.1 | 179.6 | 6.6 | 41.8 | -22.3 | 0 | 0 | 0 | 118.4 | ||||
| 497 | L | 32.3 | Very low | 32.8 | Very low | 156 Ų | 156 | 132.6 Ų | 132.6 | 82% | 0.817 | 77% | 0.77 | S | S | * | * | trans | 77.3 | 147.4 | 171.5 | -77.9 | 111.3 | 0 | 0 | 0 | 119.2 | ||||
| 498 | V | 32 | Very low | 32.5 | Very low | 132 Ų | 132 | 133.3 Ų | 133.3 | 80% | 0.8 | 76% | 0.763 | S | S | * | * | trans | -159 | 177 | -145.8 | -105.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 499 | P | 41.1 | Very low | 30.9 | Very low | 112 Ų | 112 | 135.3 Ų | 135.3 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | cis | -137.6 | 177 | 18 | 42.5 | -24 | 0 | 0 | 0 | 118.9 | ||||
| 500 | S | 30.5 | Very low | 30.7 | Very low | 118 Ų | 118 | 128 Ų | 128 | 83% | 0.825 | 75% | 0.753 | S | S | * | * | trans | 88.8 | 73.5 | 156.5 | -48.3 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 501 | E | 24.5 | Very low | 30.5 | Very low | 166 Ų | 166 | 128.4 Ų | 128.4 | 78% | 0.776 | 76% | 0.755 | S | S | * | * | trans | -75.6 | -174.1 | 159.3 | -113.7 | -159.1 | 134.1 | 0 | 0 | 112.6 | ||||
| 502 | P | 42 | Very low | 30.7 | Very low | 91 Ų | 91 | 128.1 Ų | 128.1 | 59% | 0.591 | 76% | 0.763 | S | S | * | * | cis | -140.7 | 177.3 | -23.2 | 35.8 | -16.5 | 0 | 0 | 0 | 116.2 | ||||
| 503 | Q | 27.5 | Very low | 31.4 | Very low | 181 Ų | 181 | 124 Ų | 124 | 85% | 0.846 | 76% | 0.756 | S | S | * | * | trans | 42.2 | 145.3 | 139.2 | -67.9 | 173.5 | 56.9 | 0 | 0 | 123.8 | ||||
| 504 | G | 24.8 | Very low | 31 | Very low | 81 Ų | 81 | 129.8 Ų | 129.8 | 84% | 0.835 | 77% | 0.767 | S | S | * | * | trans | 176.9 | 144.3 | 158.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 505 | A | 25.1 | Very low | 30.9 | Very low | 102 Ų | 102 | 125.5 Ų | 125.5 | 84% | 0.843 | 75% | 0.753 | S | S | * | * | trans | -106.4 | 173.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 506 | L | 35.8 | Very low | 30.6 | Very low | 166 Ų | 166 | 128.5 Ų | 128.5 | 87% | 0.869 | 76% | 0.759 | S | S | * | * | trans | -44.4 | 152.9 | 172.1 | -58.9 | 177.6 | 0 | 0 | 0 | 112.6 | ||||
| 507 | P | 33.8 | Very low | 29.9 | Very low | 112 Ų | 112 | 130.4 Ų | 130.4 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | cis | -149.2 | -150.5 | 35.2 | 43.2 | -21.2 | 0 | 0 | 0 | 115.5 | ||||
| 508 | S | 22.4 | Very low | 29.7 | Very low | 88 Ų | 88 | 130.3 Ų | 130.3 | 62% | 0.615 | 76% | 0.763 | S | S | * | * | trans | 76.5 | 103.8 | 149.1 | 51.8 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 509 | L | 23.8 | Very low | 29.8 | Very low | 160 Ų | 160 | 130.3 Ų | 130.3 | 84% | 0.838 | 75% | 0.754 | S | S | * | * | 73.3 | 139 | 115.3 | -69.3 | 166.2 | 0 | 0 | 0 | 122 | |||||
| 510 | C | 23.7 | Very low | 29.4 | Very low | 100 Ų | 100 | 133.1 Ų | 133.1 | 68% | 0.676 | 75% | 0.75 | S | S | * | * | trans | 71.9 | 94.4 | 146.2 | -67.1 | 0 | 0 | 0 | 0 | 121 | ||||
| 511 | L | 27.6 | Very low | 29.5 | Very low | 157 Ų | 157 | 134.1 Ų | 134.1 | 82% | 0.822 | 74% | 0.742 | S | S | * | * | 58.6 | 104.2 | 112.2 | -68.1 | 164.2 | 0 | 0 | 0 | 119.9 | |||||
| 512 | A | 31.6 | Very low | 29.8 | Very low | 94 Ų | 94 | 133.7 Ų | 133.7 | 78% | 0.777 | 74% | 0.744 | S | S | * | * | trans | 67.5 | -178.5 | 137.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 513 | P | 43 | Very low | 29 | Very low | 110 Ų | 110 | 132.6 Ų | 132.6 | 71% | 0.714 | 75% | 0.749 | S | S | * | * | cis | -125.2 | -178.2 | -10.6 | 41.8 | -27 | 0 | 0 | 0 | 114.3 | ||||
| 514 | K | 24.2 | Very low | 28.9 | Very low | 197 Ų | 197 | 129.6 Ų | 129.6 | 86% | 0.857 | 75% | 0.749 | S | S | * | * | trans | 31 | 144.4 | 148 | -67.1 | 174.6 | 179.7 | -179.2 | 0 | 120.6 | ||||
| 515 | A | 25.6 | Very low | 30.1 | Very low | 63 Ų | 63 | 131 Ų | 131 | 52% | 0.521 | 74% | 0.743 | S | S | . | * | cis | 178.5 | -177.6 | -9.9 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 516 | Y | 26.7 | Very low | 30.3 | Very low | 218 Ų | 218 | 131.4 Ų | 131.4 | 86% | 0.855 | 74% | 0.735 | S | S | * | * | trans | 70.7 | 165 | 167.3 | -46.2 | -77 | 0 | 0 | 0 | 117.1 | ||||
| 517 | D | 29.5 | Very low | 30 | Very low | 135 Ų | 135 | 130 Ų | 130 | 72% | 0.722 | 73% | 0.728 | S | S | * | * | cis | -178.9 | 127.2 | -39.4 | -176.1 | 11.5 | 0 | 0 | 0 | 108.4 | ||||
| 518 | I | 27.8 | Very low | 30 | Very low | 154 Ų | 154 | 132.9 Ų | 132.9 | 79% | 0.79 | 73% | 0.732 | S | S | * | * | trans | -152.1 | 106.5 | 168.9 | -54.9 | -175.6 | 0 | 0 | 0 | 111.9 | ||||
| 519 | E | 35.3 | Very low | 30.2 | Very low | 132 Ų | 132 | 135.3 Ų | 135.3 | 62% | 0.617 | 74% | 0.738 | S | S | * | * | 21.3 | 157 | 123.7 | -47.6 | -160.3 | 112.3 | 0 | 0 | 121.5 | |||||
| 520 | R | 32.8 | Very low | 30.6 | Very low | 171 Ų | 171 | 132.8 Ų | 132.8 | 65% | 0.645 | 73% | 0.734 | S | S | * | * | cis | -166.3 | 179.5 | -11.6 | -111.9 | -172.7 | -72.3 | 116.2 | 0.7 | 106 | ||||
| 521 | E | 32.6 | Very low | 30.8 | Very low | 139 Ų | 139 | 131 Ų | 131 | 65% | 0.65 | 73% | 0.733 | S | S | * | * | cis | -140 | -129 | 7.9 | -145.3 | 163.1 | -87.4 | 0 | 0 | 108.2 | ||||
| 522 | L | 30.4 | Very low | 30.9 | Very low | 156 Ų | 156 | 131.9 Ų | 131.9 | 82% | 0.817 | 73% | 0.732 | S | S | * | * | cis | -159.3 | 137.3 | -4.8 | -144.8 | 177 | 0 | 0 | 0 | 108.3 | ||||
| 523 | G | 25 | Very low | 30.8 | Very low | 68 Ų | 68 | 132.6 Ų | 132.6 | 70% | 0.701 | 72% | 0.723 | S | S | * | * | trans | 138.9 | 87.8 | 163.8 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 524 | S | 24.8 | Very low | 30.2 | Very low | 119 Ų | 119 | 134.2 Ų | 134.2 | 83% | 0.832 | 72% | 0.721 | S | S | * | * | trans | -103.8 | -167.6 | 172.1 | -31.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 525 | P | 50 | Low | 30.3 | Very low | 111 Ų | 111 | 132.4 Ų | 132.4 | 72% | 0.721 | 72% | 0.716 | S | S | * | * | cis | -101 | -152.5 | -7.7 | 45 | -37.9 | 0 | 0 | 0 | 111.1 | ||||
| 526 | T | 30.2 | Very low | 30.4 | Very low | 110 Ų | 110 | 136 Ų | 136 | 68% | 0.675 | 73% | 0.726 | S | S | * | * | cis | -157.4 | 168.3 | 6.5 | 24.5 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 527 | D | 29.1 | Very low | 30.7 | Very low | 135 Ų | 135 | 133 Ų | 133 | 72% | 0.722 | 72% | 0.724 | S | S | * | * | cis | 178.2 | 155.1 | -19.8 | -88.3 | 2.2 | 0 | 0 | 0 | 103.6 | ||||
| 528 | E | 33.3 | Very low | 30.4 | Very low | 173 Ų | 173 | 138.1 Ų | 138.1 | 81% | 0.808 | 73% | 0.733 | S | S | * | * | cis | -164.9 | -175.4 | -8.6 | -116.4 | -78.6 | 46.2 | 0 | 0 | 108 | ||||
| 529 | D | 26.4 | Very low | 30.5 | Very low | 140 Ų | 140 | 133.9 Ų | 133.9 | 75% | 0.749 | 73% | 0.728 | S | S | * | * | trans | 86.1 | 90.3 | 160.7 | -151.1 | 25 | 0 | 0 | 0 | 119.7 | ||||
| 530 | S | 32.3 | Very low | 30.9 | Very low | 106 Ų | 106 | 133.3 Ų | 133.3 | 74% | 0.741 | 74% | 0.735 | S | S | * | * | 41.5 | 139.9 | 124 | -148.4 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 531 | G | 28.8 | Very low | 30.6 | Very low | 63 Ų | 63 | 133.4 Ų | 133.4 | 65% | 0.649 | 74% | 0.743 | S | S | * | * | cis | 161.4 | 163.5 | -4.3 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 532 | Q | 29.6 | Very low | 30.5 | Very low | 175 Ų | 175 | 134 Ų | 134 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | trans | 64.8 | 129 | 155 | -67.7 | -171.3 | -59.8 | 0 | 0 | 123.8 | ||||
| 533 | D | 29.1 | Very low | 31.1 | Very low | 110 Ų | 110 | 132.1 Ų | 132.1 | 59% | 0.588 | 75% | 0.746 | S | S | * | * | 87.6 | 112.7 | 128.2 | -74.7 | 30.3 | 0 | 0 | 0 | 125.4 | |||||
| 534 | Q | 30.2 | Very low | 31.4 | Very low | 144 Ų | 144 | 132.7 Ų | 132.7 | 67% | 0.673 | 74% | 0.744 | S | S | * | * | 64.4 | 117.8 | 121.4 | -59.8 | -168 | 84 | 0 | 0 | 123.3 | |||||
| 535 | Q | 27.8 | Very low | 31.6 | Very low | 158 Ų | 158 | 134.3 Ų | 134.3 | 74% | 0.738 | 74% | 0.742 | S | S | * | * | trans | 59.8 | 128.6 | 130.5 | -66.5 | -169.3 | -9.2 | 0 | 0 | 123.4 | ||||
| 536 | L | 26.9 | Very low | 30.5 | Very low | 139 Ų | 139 | 137 Ų | 137 | 73% | 0.728 | 75% | 0.746 | S | S | * | * | trans | 77.5 | 126.1 | 136.9 | -73.7 | 166.3 | 0 | 0 | 0 | 122.4 | ||||
| 537 | L | 32.3 | Very low | 30.4 | Very low | 156 Ų | 156 | 136.7 Ų | 136.7 | 82% | 0.817 | 75% | 0.748 | S | S | * | * | trans | 82.6 | 152 | 144.3 | -70.8 | 165.5 | 0 | 0 | 0 | 121.5 | ||||
| 538 | R | 24 | Very low | 31.4 | Very low | 241 Ų | 241 | 135.1 Ų | 135.1 | 91% | 0.909 | 75% | 0.745 | S | S | * | * | trans | 74.5 | 121.1 | 171.1 | -80.6 | -173.5 | 179 | -177.3 | 0.9 | 119.4 | ||||
| 539 | G | 29.5 | Very low | 31.3 | Very low | 66 Ų | 66 | 132 Ų | 132 | 68% | 0.68 | 74% | 0.741 | S | S | * | * | trans | -80.4 | -167.2 | 141.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 540 | P | 44.7 | Very low | 31.7 | Very low | 119 Ų | 119 | 133.6 Ų | 133.6 | 77% | 0.773 | 74% | 0.744 | S | S | * | * | cis | -142.5 | -154.8 | 30.8 | 36.4 | -12.4 | 0 | 0 | 0 | 114.4 | ||||
| 541 | Q | 25.8 | Very low | 31.8 | Very low | 174 Ų | 174 | 134.1 Ų | 134.1 | 81% | 0.813 | 75% | 0.747 | S | S | * | * | trans | 102.3 | 151.4 | 161.6 | -57.8 | -70.9 | 29.2 | 0 | 0 | 119.3 | ||||
| 542 | I | 31.4 | Very low | 31.9 | Very low | 151 Ų | 151 | 133.9 Ų | 133.9 | 77% | 0.774 | 75% | 0.745 | S | S | * | * | trans | -121.6 | 159 | -177.1 | -25.4 | 177 | 0 | 0 | 0 | 109 | ||||
| 543 | P | 42.6 | Very low | 32.1 | Very low | 117 Ų | 117 | 132.6 Ų | 132.6 | 76% | 0.76 | 75% | 0.754 | S | S | * | * | -136.2 | 145.5 | 105.5 | 36.7 | -24.5 | 0 | 0 | 0 | 111.9 | |||||
| 544 | A | 30.3 | Very low | 32.1 | Very low | 79 Ų | 79 | 131 Ų | 131 | 65% | 0.653 | 76% | 0.763 | S | S | * | * | 58 | 130.3 | 66.1 | 0 | 0 | 0 | 0 | 0 | 112 | |||||
| 545 | L | 29.4 | Very low | 32.3 | Very low | 153 Ų | 153 | 131.1 Ų | 131.1 | 80% | 0.801 | 77% | 0.768 | S | S | * | * | cis | -131.6 | -174.2 | 22.4 | -63.4 | 151.4 | 0 | 0 | 0 | 109.8 | ||||
| 546 | E | 26.2 | Very low | 32.7 | Very low | 169 Ų | 169 | 128.2 Ų | 128.2 | 79% | 0.79 | 76% | 0.762 | S | S | * | * | cis | -157.1 | 161 | 12.7 | -151.9 | 147.4 | -122.5 | 0 | 0 | 112.2 | ||||
| 547 | S | 29.2 | Very low | 33.1 | Very low | 103 Ų | 103 | 128.4 Ų | 128.4 | 72% | 0.72 | 76% | 0.763 | S | S | * | * | trans | -144.8 | 174.3 | 169.4 | 70.9 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 548 | P | 49.8 | Very low | 33.2 | Very low | 102 Ų | 102 | 129.7 Ų | 129.7 | 66% | 0.662 | 77% | 0.765 | S | S | * | * | cis | -156.3 | -163.1 | 39.1 | 43.6 | -19.8 | 0 | 0 | 0 | 117.6 | ||||
| 549 | C | 31.4 | Very low | 33.8 | Very low | 106 Ų | 106 | 125.2 Ų | 125.2 | 72% | 0.716 | 76% | 0.759 | S | S | * | * | trans | 77.5 | 151.6 | 150.9 | -73.1 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 550 | E | 34.8 | Very low | 34.5 | Very low | 175 Ų | 175 | 127.3 Ų | 127.3 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | cis | -152.2 | 155.3 | 8 | -141 | 166.9 | 137.8 | 0 | 0 | 114.6 | ||||
| 551 | S | 34.3 | Very low | 33.8 | Very low | 116 Ų | 116 | 127 Ų | 127 | 81% | 0.811 | 76% | 0.761 | S | S | * | * | trans | 59.1 | 137.1 | 155.5 | -156.9 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 552 | G | 30.4 | Very low | 34.1 | Very low | 59 Ų | 59 | 124.5 Ų | 124.5 | 61% | 0.608 | 76% | 0.762 | S | S | * | * | cis | 144.6 | 123.5 | -13 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 553 | C | 33.2 | Very low | 34.6 | Very low | 147 Ų | 147 | 122.7 Ų | 122.7 | 99% | 0.993 | 76% | 0.76 | S | S | * | * | trans | 64.2 | 153 | 171.1 | -45.7 | 0 | 0 | 0 | 0 | 116 | ||||
| 554 | G | 29.4 | Very low | 33.8 | Very low | 76 Ų | 76 | 125.3 Ų | 125.3 | 78% | 0.784 | 76% | 0.762 | S | S | * | * | cis | 160.8 | 177.7 | 1.3 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 555 | D | 34.1 | Very low | 33.7 | Very low | 147 Ų | 147 | 129.3 Ų | 129.3 | 79% | 0.786 | 77% | 0.772 | S | S | * | * | cis | -173.7 | 172.5 | -19.1 | -165.4 | 4.3 | 0 | 0 | 0 | 106.7 | ||||
| 556 | T | 36.8 | Very low | 34.8 | Very low | 98 Ų | 98 | 127.5 Ų | 127.5 | 60% | 0.601 | 77% | 0.769 | S | S | * | * | trans | 63.6 | 107.6 | 162.7 | 60.8 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 557 | D | 35.1 | Very low | 35.7 | Very low | 142 Ų | 142 | 124.4 Ų | 124.4 | 76% | 0.759 | 76% | 0.764 | S | S | * | * | 77.6 | 167.1 | 111.7 | -53.2 | -31.8 | 0 | 0 | 0 | 125.8 | |||||
| 558 | E | 34.1 | Very low | 35.6 | Very low | 184 Ų | 184 | 129 Ų | 129 | 86% | 0.86 | 77% | 0.765 | S | S | * | * | trans | 85.5 | 93.3 | 169 | -51.8 | -66.9 | 77.6 | 0 | 0 | 120 | ||||
| 559 | D | 37 | Very low | 34.5 | Very low | 147 Ų | 147 | 130 Ų | 130 | 79% | 0.786 | 77% | 0.765 | S | S | * | * | trans | -83 | 147.9 | 148.5 | -147.2 | -20.1 | 0 | 0 | 0 | 107.9 | ||||
| 560 | P | 45.1 | Very low | 34.5 | Very low | 110 Ų | 110 | 130.4 Ų | 130.4 | 71% | 0.714 | 77% | 0.769 | S | S | * | * | -159.3 | 158.4 | 85.4 | 40.6 | -20.1 | 0 | 0 | 0 | 118.7 | |||||
| 561 | S | 28.8 | Very low | 35.1 | Very low | 111 Ų | 111 | 126.9 Ų | 126.9 | 78% | 0.776 | 76% | 0.761 | S | S | * | * | trans | 58.5 | 133.7 | 139 | -57.6 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 562 | C | 32.8 | Very low | 35.1 | Very low | 123 Ų | 123 | 132.3 Ų | 132.3 | 83% | 0.831 | 76% | 0.764 | S | S | * | * | trans | -67.5 | 164.9 | 163.1 | -48.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 563 | P | 41.8 | Very low | 35 | Very low | 112 Ų | 112 | 134.9 Ų | 134.9 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | -158.6 | 177.3 | 86 | 42.3 | -22.3 | 0 | 0 | 0 | 118.7 | |||||
| 564 | Q | 26.5 | Very low | 35 | Very low | 173 Ų | 173 | 136 Ų | 136 | 81% | 0.808 | 77% | 0.767 | S | S | * | * | trans | 62.3 | 108.6 | 146.3 | -79 | 170.3 | -17.5 | 0 | 0 | 123.2 | ||||
| 565 | L | 28.2 | Very low | 35 | Very low | 163 Ų | 163 | 140.3 Ų | 140.3 | 85% | 0.853 | 77% | 0.768 | S | S | * | * | 36.6 | 176.3 | 111 | -48.9 | 176.4 | 0 | 0 | 0 | 121.4 | |||||
| 566 | P | 51.4 | Low | 34.9 | Very low | 114 Ų | 114 | 140.2 Ų | 140.2 | 74% | 0.74 | 77% | 0.767 | S | S | * | * | -107.6 | -138.3 | -110.7 | 37.3 | -13.8 | 0 | 0 | 0 | 110 | |||||
| 567 | P | 44.9 | Very low | 34.8 | Very low | 105 Ų | 105 | 141.2 Ų | 141.2 | 68% | 0.682 | 77% | 0.773 | S | S | * | * | cis | -133 | -166.1 | -18.9 | 29.6 | -4.6 | 0 | 0 | 0 | 113.6 | ||||
| 568 | R | 26.8 | Very low | 34.5 | Very low | 199 Ų | 199 | 142.6 Ų | 142.6 | 75% | 0.751 | 78% | 0.78 | S | S | * | * | trans | 129.5 | 117.9 | 141.5 | -74.1 | -80.1 | 164.6 | -166.9 | -5.4 | 118 | ||||
| 569 | D | 28.4 | Very low | 34.4 | Very low | 122 Ų | 122 | 137.4 Ų | 137.4 | 65% | 0.652 | 76% | 0.763 | S | S | * | * | trans | 59.4 | 109.2 | 134.1 | -55 | -7.8 | 0 | 0 | 0 | 122.6 | ||||
| 570 | S | 30.2 | Very low | 34.1 | Very low | 116 Ų | 116 | 138.9 Ų | 138.9 | 81% | 0.811 | 77% | 0.766 | S | S | * | * | -6 | 160.5 | 127.5 | -127.3 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 571 | P | 48.9 | Very low | 33.4 | Very low | 100 Ų | 100 | 139.1 Ų | 139.1 | 65% | 0.649 | 77% | 0.77 | S | S | * | * | cis | -140.3 | 174.2 | 8.1 | 34 | -11.6 | 0 | 0 | 0 | 117.4 | ||||
| 572 | R | 32.7 | Very low | 33.3 | Very low | 231 Ų | 231 | 141.1 Ų | 141.1 | 87% | 0.872 | 77% | 0.772 | S | S | * | * | trans | 29.7 | 132.4 | 146.9 | -60.1 | 170.5 | 176.3 | 156.6 | -1.4 | 120.8 | ||||
| 573 | C | 29.8 | Very low | 34.3 | Very low | 113 Ų | 113 | 139.9 Ų | 139.9 | 76% | 0.764 | 76% | 0.763 | S | S | * | * | 166.3 | 161.9 | 105.6 | -93 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 574 | L | 32.1 | Very low | 33.8 | Very low | 171 Ų | 171 | 140.1 Ų | 140.1 | 90% | 0.895 | 76% | 0.762 | S | S | * | * | trans | 80.2 | 157.5 | 162 | -52.2 | -165.2 | 0 | 0 | 0 | 120.4 | ||||
| 575 | M | 29.7 | Very low | 34 | Very low | 165 Ų | 165 | 140.8 Ų | 140.8 | 81% | 0.813 | 76% | 0.762 | S | S | * | * | trans | -138.9 | 144.3 | -174.1 | -80.5 | -153.5 | -50.1 | 0 | 0 | 110.6 | ||||
| 576 | L | 32.5 | Very low | 34.2 | Very low | 145 Ų | 145 | 136.4 Ų | 136.4 | 76% | 0.759 | 76% | 0.757 | S | S | * | * | trans | 60.9 | 158.3 | 151.3 | -58.1 | 167.5 | 0 | 0 | 0 | 116.6 | ||||
| 577 | T | 34 | Very low | 33.8 | Very low | 119 Ų | 119 | 138.9 Ų | 138.9 | 73% | 0.73 | 76% | 0.756 | S | S | * | * | cis | -161.2 | 167.1 | -6.1 | 8.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 578 | L | 28.9 | Very low | 34.1 | Very low | 172 Ų | 172 | 143.2 Ų | 143.2 | 90% | 0.901 | 76% | 0.764 | S | S | * | * | trans | 169.3 | 147.6 | 152.1 | -91.6 | 159.9 | 0 | 0 | 0 | 107.4 | ||||
| 579 | S | 31.6 | Very low | 34.8 | Very low | 74 Ų | 74 | 138.7 Ų | 138.7 | 52% | 0.517 | 76% | 0.763 | S | S | . | * | cis | -169.4 | 166.1 | -5.6 | 68 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 580 | Q | 31.9 | Very low | 35.1 | Very low | 179 Ų | 179 | 140.8 Ų | 140.8 | 84% | 0.836 | 77% | 0.767 | S | S | * | * | trans | 71.2 | 145.5 | 158.7 | -66.1 | 168 | 93.8 | 0 | 0 | 117.6 | ||||
| 581 | S | 30.4 | Very low | 35.4 | Very low | 114 Ų | 114 | 142 Ų | 142 | 80% | 0.797 | 76% | 0.759 | S | S | * | * | cis | -160.3 | 156.5 | -8.4 | 47.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 582 | D | 26.5 | Very low | 34.9 | Very low | 153 Ų | 153 | 144.2 Ų | 144.2 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | trans | -120.4 | 179.9 | -179.4 | -149.1 | 29.2 | 0 | 0 | 0 | 108.7 | ||||
| 583 | P | 53.8 | Low | 35.2 | Very low | 98 Ų | 98 | 137.6 Ų | 137.6 | 64% | 0.636 | 75% | 0.747 | S | S | * | * | cis | -145.5 | -178.6 | 15.5 | 45.7 | -26.2 | 0 | 0 | 0 | 118.8 | ||||
| 584 | T | 31.4 | Very low | 35.5 | Very low | 117 Ų | 117 | 139.3 Ų | 139.3 | 72% | 0.718 | 75% | 0.747 | S | S | * | * | -173.9 | 128.2 | 119.7 | 21.5 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 585 | F | 30.6 | Very low | 35.5 | Very low | 186 Ų | 186 | 136.1 Ų | 136.1 | 82% | 0.816 | 74% | 0.735 | S | S | * | * | trans | 44.1 | 121.1 | 156.3 | -78.7 | -111.6 | 0 | 0 | 0 | 120.9 | ||||
| 586 | G | 32.2 | Very low | 35.7 | Very low | 72 Ų | 72 | 134.1 Ų | 134.1 | 74% | 0.742 | 73% | 0.732 | S | S | * | * | cis | 139.9 | 163.3 | -13.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 587 | K | 41.7 | Very low | 35.9 | Very low | 166 Ų | 166 | 134.3 Ų | 134.3 | 72% | 0.722 | 73% | 0.729 | S | S | * | * | trans | 101.1 | 105.6 | 157.7 | -65.2 | 173.6 | 178.9 | 169.2 | 0 | 120.9 | ||||
| 588 | K | 51.4 | Low | 36.1 | Very low | 195 Ų | 195 | 135 Ų | 135 | 85% | 0.848 | 73% | 0.727 | S | S | * | * | trans | 58.7 | 146.1 | 145.5 | 45.8 | 163.5 | -179.5 | 161.1 | 0 | 119.7 | ||||
| 589 | S | 42 | Very low | 36.4 | Very low | 104 Ų | 104 | 132.8 Ų | 132.8 | 73% | 0.727 | 73% | 0.725 | S | S | * | * | cis | -150.8 | 141.7 | 13.6 | 10.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 590 | F | 35.1 | Very low | 36.7 | Very low | 166 Ų | 166 | 132.7 Ų | 132.7 | 73% | 0.728 | 74% | 0.735 | S | S | * | * | 67.8 | 130.8 | 87.6 | -152.3 | -115.3 | 0 | 0 | 0 | 112.6 | |||||
| 591 | E | 36 | Very low | 36.9 | Very low | 141 Ų | 141 | 127.7 Ų | 127.7 | 66% | 0.659 | 72% | 0.717 | S | S | * | * | cis | -145.7 | 140.5 | 19.1 | -158.1 | 165.1 | -167.9 | 0 | 0 | 107.6 | ||||
| 592 | Q | 39.7 | Very low | 37.3 | Very low | 148 Ų | 148 | 125.7 Ų | 125.7 | 69% | 0.692 | 71% | 0.708 | S | S | * | * | 55.9 | 136.3 | 75.9 | -95.6 | -152.3 | -88.1 | 0 | 0 | 113.8 | |||||
| 593 | T | 37.6 | Very low | 37.7 | Very low | 91 Ų | 91 | 122.1 Ų | 122.1 | 56% | 0.558 | 71% | 0.707 | S | S | * | * | cis | -172.6 | 164.4 | -3.3 | -6.6 | 0 | 0 | 0 | 0 | 114 | ||||
| 594 | L | 36.9 | Very low | 36.9 | Very low | 149 Ų | 149 | 125.7 Ų | 125.7 | 78% | 0.78 | 72% | 0.72 | S | S | * | * | trans | 67.7 | 162.9 | 150 | -60.6 | 166.5 | 0 | 0 | 0 | 117.6 | ||||
| 595 | T | 31.8 | Very low | 37.6 | Very low | 105 Ų | 105 | 126.1 Ų | 126.1 | 64% | 0.644 | 72% | 0.722 | S | S | * | * | cis | -175.2 | 162 | -12.9 | 29.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 596 | V | 34.8 | Very low | 38.4 | Very low | 122 Ų | 122 | 122.8 Ų | 122.8 | 74% | 0.739 | 72% | 0.72 | S | S | * | * | trans | 66.3 | 145.7 | 138.4 | 160.5 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 597 | E | 35.8 | Very low | 38.9 | Very low | 149 Ų | 149 | 124.9 Ų | 124.9 | 70% | 0.696 | 72% | 0.72 | S | S | * | * | cis | -163.1 | 173.1 | -12.6 | -117.3 | -172.7 | 131.4 | 0 | 0 | 110.9 | ||||
| 598 | L | 38.6 | Very low | 38.5 | Very low | 133 Ų | 133 | 122.6 Ų | 122.6 | 70% | 0.696 | 72% | 0.72 | S | S | * | * | trans | 56 | 113.1 | 146 | -66.6 | 164 | 0 | 0 | 0 | 122.9 | ||||
| 599 | C | 34.7 | Very low | 38.1 | Very low | 127 Ų | 127 | 119.3 Ų | 119.3 | 86% | 0.858 | 72% | 0.717 | S | S | * | * | 33 | 123.2 | 127.1 | -54.6 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 600 | G | 37.4 | Very low | 38 | Very low | 71 Ų | 71 | 120 Ų | 120 | 73% | 0.732 | 72% | 0.719 | S | S | * | * | trans | -172.5 | 43.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 601 | T | 35.9 | Very low | 38.1 | Very low | 74 Ų | 74 | 118.2 Ų | 118.2 | 45% | 0.454 | 72% | 0.724 | S | S | . | * | trans | 41.8 | 114.4 | 138.7 | 60.3 | 0 | 0 | 0 | 0 | 124.2 | A676 S677 | T601-A676 HydrophobicContact CG2-CB 4.15Å; T601-A676 VanDerWaalsContact OG1-CB 3.26Å; T601-A676 WeakPolarHBondContact OG1-CB 3.22Å; T601-S677 WeakPolarHBondContact CG2-OG 3.34Å | ||
| 602 | A | 38.7 | Very low | 38 | Very low | 73 Ų | 73 | 121.7 Ų | 121.7 | 60% | 0.603 | 73% | 0.732 | S | S | * | * | trans | 50.7 | 133.3 | 144 | 0 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 603 | G | 34.8 | Very low | 38.2 | Very low | 78 Ų | 78 | 123 Ų | 123 | 80% | 0.804 | 74% | 0.736 | S | S | * | * | trans | -176.5 | 160.3 | 168.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 604 | L | 37.3 | Very low | 38.5 | Very low | 173 Ų | 173 | 124.9 Ų | 124.9 | 91% | 0.906 | 75% | 0.75 | S | S | * | * | trans | -100.8 | 166.3 | -174.9 | -69.3 | 168.8 | 0 | 0 | 0 | 113.8 | ||||
| 605 | T | 47.4 | Very low | 38.4 | Very low | 125 Ų | 125 | 124.1 Ų | 124.1 | 77% | 0.767 | 75% | 0.752 | S | S | * | * | trans | -42.4 | 158.5 | 166.7 | 51.8 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 606 | P | 46.6 | Very low | 38.7 | Very low | 116 Ų | 116 | 127.9 Ų | 127.9 | 75% | 0.753 | 76% | 0.762 | S | S | * | * | cis | -141 | -152 | 34 | 43 | -20.6 | 0 | 0 | 0 | 111.8 | ||||
| 607 | P | 43.3 | Very low | 38.9 | Very low | 116 Ų | 116 | 130.5 Ų | 130.5 | 75% | 0.753 | 77% | 0.766 | S | S | * | * | cis | -134.7 | -167.5 | -3.5 | 44.5 | -25.3 | 0 | 0 | 0 | 116.6 | ||||
| 608 | T | 33 | Very low | 38.9 | Very low | 118 Ų | 118 | 130 Ų | 130 | 72% | 0.724 | 77% | 0.768 | S | S | * | * | trans | -71.8 | 173.6 | -178.4 | 49.2 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 609 | T | 43.8 | Very low | 39.4 | Very low | 127 Ų | 127 | 127.6 Ų | 127.6 | 78% | 0.779 | 76% | 0.76 | S | S | * | * | trans | 69.7 | 125.7 | 164.2 | 51.6 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 610 | P | 38.3 | Very low | 39.4 | Very low | 119 Ų | 119 | 130.8 Ų | 130.8 | 77% | 0.773 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 145.7 | 172.3 | 33.9 | -34 | 0 | 0 | 0 | 112.1 | ||
| 611 | P | 38.4 | Very low | 39.5 | Very low | 128 Ų | 128 | 135 Ų | 135 | 83% | 0.831 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 149 | 178.7 | 33.3 | -34.8 | 0 | 0 | 0 | 113.2 | ||
| 612 | Y | 32.5 | Very low | 39.6 | Very low | 213 Ų | 213 | 137.6 Ų | 137.6 | 84% | 0.835 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -87.7 | 140.4 | 171.2 | -107.4 | -109.3 | 0 | 0 | 0 | 112.1 | ||
| 613 | K | 44.4 | Very low | 39.1 | Very low | 175 Ų | 175 | 138.7 Ų | 138.7 | 76% | 0.761 | 77% | 0.772 | S | S | * | * | trans | 9.8 | 148.9 | 153.7 | -54.7 | -173 | 178.5 | -170.1 | 0 | 120.9 | ||||
| 614 | P | 44.3 | Very low | 39 | Very low | 131 Ų | 131 | 143 Ų | 143 | 85% | 0.851 | 78% | 0.775 | S | S | * | * | -119.4 | 177.2 | 128.4 | 37 | -31.5 | 0 | 0 | 0 | 113.4 | |||||
| 615 | T | 34.9 | Very low | 38.6 | Very low | 134 Ų | 134 | 141.8 Ų | 141.8 | 82% | 0.822 | 76% | 0.762 | S | S | * | * | trans | -121.8 | 151 | -174.9 | -49.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 616 | E | 38.3 | Very low | 37.7 | Very low | 184 Ų | 184 | 143.9 Ų | 143.9 | 86% | 0.86 | 76% | 0.763 | S | S | * | * | trans | -141.1 | 153.3 | 161.8 | -156 | 158.2 | -153.4 | 0 | 0 | 111.1 | ||||
| 617 | E | 38.3 | Very low | 36.8 | Very low | 177 Ų | 177 | 142.9 Ų | 142.9 | 83% | 0.827 | 76% | 0.759 | S | S | * | * | trans | -81.9 | -173.1 | -151.3 | -53.7 | 177.3 | 141.1 | 0 | 0 | 113.1 | ||||
| 618 | D | 36.7 | Very low | 36 | Very low | 139 Ų | 139 | 145.2 Ų | 145.2 | 74% | 0.743 | 76% | 0.764 | S | S | * | * | cis | -165.4 | -168.4 | 18.8 | -161.6 | 28.7 | 0 | 0 | 0 | 106.3 | ||||
| 619 | P | 49.4 | Very low | 35.7 | Very low | 82 Ų | 82 | 142.8 Ų | 142.8 | 53% | 0.532 | 76% | 0.762 | S | S | . | * | cis | -121.1 | -169.1 | -25.9 | 7.2 | 19.4 | 0 | 0 | 0 | 115.7 | ||||
| 620 | F | 33.1 | Very low | 35.2 | Very low | 194 Ų | 194 | 144.6 Ų | 144.6 | 85% | 0.851 | 76% | 0.76 | S | S | * | * | trans | 98.8 | 81.8 | 160 | -61.7 | -70.8 | 0 | 0 | 0 | 119 | ||||
| 621 | K | 39.2 | Very low | 34.6 | Very low | 160 Ų | 160 | 146 Ų | 146 | 70% | 0.696 | 76% | 0.755 | S | S | * | * | trans | -63.3 | 164.5 | 144.4 | -74.6 | -179.4 | 160.7 | -164 | 0 | 112 | D623 | K621-D623 WeakPolarHBondContact CD-OD1 3.25Å; K621-D623 WeakPolarHBondContact CE-OD1 3.42Å; K621-D623 IonicContact NZ-OD1 3.77Å; K621-D623 PolarHBondContact NZ-OD1 2.84Å; K621-D623 IonicContact NZ-OD2 2.71Å | ||
| 622 | P | 39.8 | Very low | 34 | Very low | 127 Ų | 127 | 147.3 Ų | 147.3 | 83% | 0.825 | 75% | 0.754 | S | S | * | * | -118.6 | 144.2 | 107.4 | 33.7 | -34 | 0 | 0 | 0 | 113.5 | |||||
| 623 | D | 26.8 | Very low | 33.5 | Very low | 96 Ų | 96 | 142.6 Ų | 142.6 | 51% | 0.513 | 75% | 0.747 | S | S | . | * | trans | -74.5 | 137.2 | 176.1 | -94.5 | -8.1 | 0 | 0 | 0 | 111.6 | K621 | K621-D623 WeakPolarHBondContact CD-OD1 3.25Å; K621-D623 WeakPolarHBondContact CE-OD1 3.42Å; K621-D623 IonicContact NZ-OD1 3.77Å; K621-D623 PolarHBondContact NZ-OD1 2.84Å; K621-D623 IonicContact NZ-OD2 2.71Å | ||
| 624 | I | 32.4 | Very low | 32.6 | Very low | 169 Ų | 169 | 141 Ų | 141 | 87% | 0.867 | 75% | 0.746 | S | S | * | * | trans | -124.4 | 125.1 | 151.7 | -60.5 | -179 | 0 | 0 | 0 | 107.8 | ||||
| 625 | K | 30.7 | Very low | 31.6 | Very low | 148 Ų | 148 | 141.4 Ų | 141.4 | 64% | 0.643 | 74% | 0.741 | S | S | * | * | trans | -115.4 | 159.5 | 176.5 | -62.2 | -177.6 | -179.4 | 176.9 | 0 | 110.6 | ||||
| 626 | H | 28.6 | Very low | 31.3 | Very low | 168 Ų | 168 | 141.9 Ų | 141.9 | 78% | 0.778 | 74% | 0.738 | S | S | * | * | trans | 69.2 | 157 | 162.2 | -63.5 | -67.7 | 0 | 0 | 0 | 117.8 | ||||
| 627 | S | 26.7 | Very low | 30.8 | Very low | 96 Ų | 96 | 139.3 Ų | 139.3 | 67% | 0.671 | 74% | 0.737 | S | S | * | * | 172.3 | 144.9 | -55.9 | 50 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 628 | L | 26.7 | Very low | 30.6 | Very low | 164 Ų | 164 | 135.3 Ų | 135.3 | 86% | 0.859 | 73% | 0.729 | S | S | * | * | trans | 75.1 | 120.3 | 154.2 | -155.2 | 78.9 | 0 | 0 | 0 | 118.6 | ||||
| 629 | G | 26.3 | Very low | 31.2 | Very low | 67 Ų | 67 | 134 Ų | 134 | 69% | 0.691 | 73% | 0.728 | S | S | * | * | trans | 154.8 | 98.1 | 166.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 630 | K | 32.7 | Very low | 30.1 | Very low | 166 Ų | 166 | 139 Ų | 139 | 72% | 0.722 | 74% | 0.744 | S | S | * | * | 84 | 124.2 | 60.4 | -77.3 | -168.4 | 160.5 | -119.4 | 0 | 113.3 | |||||
| 631 | E | 25.9 | Very low | 29.9 | Very low | 147 Ų | 147 | 133.1 Ų | 133.1 | 69% | 0.687 | 74% | 0.738 | S | S | * | * | cis | -121.6 | -100.6 | -4.9 | -60.9 | -158.1 | 156 | 0 | 0 | 113.7 | ||||
| 632 | I | 26.1 | Very low | 29.4 | Very low | 157 Ų | 157 | 133.9 Ų | 133.9 | 81% | 0.805 | 75% | 0.749 | S | S | * | * | cis | -155.6 | 173.5 | -1.7 | -160 | 161.2 | 0 | 0 | 0 | 111 | ||||
| 633 | V | 22 | Very low | 28.8 | Very low | 113 Ų | 113 | 133.2 Ų | 133.2 | 69% | 0.685 | 75% | 0.747 | S | S | * | * | trans | -82.5 | 148.8 | -172.3 | -135.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 634 | L | 26.1 | Very low | 28.8 | Very low | 141 Ų | 141 | 136.2 Ų | 136.2 | 74% | 0.738 | 76% | 0.762 | S | S | * | * | -175.8 | 155.3 | 80.2 | -92.3 | 177.5 | 0 | 0 | 0 | 115.2 | |||||
| 635 | N | 23.8 | Very low | 28.5 | Very low | 141 Ų | 141 | 137.7 Ų | 137.7 | 75% | 0.754 | 76% | 0.763 | S | S | * | * | trans | 72.8 | 112 | 146.3 | -67.7 | -16.2 | 0 | 0 | 0 | 123.3 | ||||
| 636 | L | 28.3 | Very low | 28.7 | Very low | 144 Ų | 144 | 134.6 Ų | 134.6 | 75% | 0.754 | 77% | 0.765 | S | S | * | * | trans | -64.3 | 168.3 | 148 | -144.6 | 74 | 0 | 0 | 0 | 111 | ||||
| 637 | P | 28.4 | Very low | 29.4 | Very low | 130 Ų | 130 | 133.3 Ų | 133.3 | 84% | 0.844 | 77% | 0.769 | S | S | * | * | -139.8 | 134.5 | 90.4 | 35.7 | -21.3 | 0 | 0 | 0 | 116.2 | |||||
| 638 | S | 33.5 | Very low | 30.3 | Very low | 93 Ų | 93 | 135 Ų | 135 | 65% | 0.65 | 78% | 0.781 | S | S | * | * | trans | -94.3 | -172.6 | 150.1 | -141.2 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 639 | P | 49 | Very low | 30.9 | Very low | 110 Ų | 110 | 130.6 Ų | 130.6 | 71% | 0.714 | 78% | 0.775 | S | S | * | * | cis | -124.5 | -145.6 | 1.5 | 35.7 | -11.7 | 0 | 0 | 0 | 111.6 | ||||
| 640 | E | 26.5 | Very low | 31.9 | Very low | 188 Ų | 188 | 132.2 Ų | 132.2 | 88% | 0.879 | 78% | 0.781 | S | S | * | * | -154.3 | 166.5 | 52.9 | -66.4 | -175.8 | 121.4 | 0 | 0 | 111.5 | |||||
| 641 | G | 28 | Very low | 32.4 | Very low | 71 Ų | 71 | 128.6 Ų | 128.6 | 73% | 0.732 | 78% | 0.783 | S | S | * | * | trans | 133.6 | 62.8 | 156.1 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 642 | L | 29.9 | Very low | 32.7 | Very low | 175 Ų | 175 | 130.6 Ų | 130.6 | 92% | 0.916 | 79% | 0.792 | S | S | * | * | trans | 53.8 | 118.9 | 149.5 | -57.6 | 173.7 | 0 | 0 | 0 | 120.6 | ||||
| 643 | S | 26.1 | Very low | 33.1 | Very low | 113 Ų | 113 | 132.3 Ų | 132.3 | 79% | 0.79 | 79% | 0.793 | S | S | * | * | trans | -83.7 | 132.1 | 148.5 | 74.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 644 | L | 27.9 | Very low | 33.8 | Very low | 159 Ų | 159 | 134.8 Ų | 134.8 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | trans | -172.2 | 115.8 | 151.7 | -110.2 | 162.6 | 0 | 0 | 0 | 112.9 | ||||
| 645 | K | 25.7 | Very low | 34.6 | Very low | 201 Ų | 201 | 133.2 Ų | 133.2 | 87% | 0.874 | 80% | 0.8 | S | S | * | * | trans | 69.9 | 160.5 | 155.5 | -142.3 | 167.5 | -175.1 | 175.1 | 0 | 117.3 | ||||
| 646 | A | 35.1 | Very low | 35 | Very low | 83 Ų | 83 | 135.6 Ų | 135.6 | 69% | 0.686 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -65.3 | 155.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 647 | T | 43.6 | Very low | 35.1 | Very low | 140 Ų | 140 | 137.9 Ų | 137.9 | 86% | 0.859 | 81% | 0.807 | S | S | * | * | S | Bend | cis | -143.9 | 60.6 | 36.3 | 51.6 | 0 | 0 | 0 | 0 | 114.1 | ||
| 648 | S | 44.5 | Very low | 35.4 | Very low | 132 Ų | 132 | 139.4 Ų | 139.4 | 92% | 0.923 | 80% | 0.803 | S | S | * | * | trans | -164.3 | 169.5 | 172.8 | -168.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 649 | G | 39 | Very low | 36.2 | Very low | 71 Ų | 71 | 140.7 Ų | 140.7 | 73% | 0.732 | 81% | 0.809 | S | S | * | * | trans | 155.1 | 144.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 650 | A | 48.5 | Very low | 35.8 | Very low | 101 Ų | 101 | 143.2 Ų | 143.2 | 84% | 0.835 | 81% | 0.811 | S | S | * | * | trans | -145.1 | 158.2 | -172 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 651 | A | 43 | Very low | 36.2 | Very low | 90 Ų | 90 | 145.7 Ų | 145.7 | 74% | 0.744 | 81% | 0.812 | S | S | * | * | trans | 61.4 | 128.7 | 160.2 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 652 | H | 30.9 | Very low | 36.6 | Very low | 189 Ų | 189 | 146.4 Ų | 146.4 | 88% | 0.875 | 81% | 0.807 | S | S | * | * | -168.6 | -171.8 | 114.1 | -106.3 | -77.2 | 0 | 0 | 0 | 110.8 | |||||
| 653 | K | 35.2 | Very low | 36.9 | Very low | 194 Ų | 194 | 147.5 Ų | 147.5 | 84% | 0.843 | 81% | 0.807 | S | S | * | * | trans | -98.3 | 161.5 | -166.7 | -59.8 | -169.3 | 177.4 | -171 | 0 | 114.4 | ||||
| 654 | L | 36.4 | Very low | 37.2 | Very low | 165 Ų | 165 | 149.9 Ų | 149.9 | 86% | 0.864 | 81% | 0.81 | S | S | * | * | trans | 13.9 | 132 | 139.8 | -149.2 | 73.5 | 0 | 0 | 0 | 116.6 | ||||
| 655 | P | 43.8 | Very low | 37.6 | Very low | 107 Ų | 107 | 149.5 Ų | 149.5 | 70% | 0.695 | 81% | 0.808 | S | S | * | * | -163.2 | -179.9 | 53.4 | 46.2 | -24 | 0 | 0 | 0 | 121 | |||||
| 656 | K | 31.6 | Very low | 37.9 | Very low | 192 Ų | 192 | 145.2 Ų | 145.2 | 84% | 0.835 | 80% | 0.803 | S | S | * | * | trans | 27.2 | 138.3 | 141.6 | -73.1 | -179.4 | 174.6 | 175.9 | 0 | 125.1 | ||||
| 657 | K | 30.2 | Very low | 37.8 | Very low | 191 Ų | 191 | 148.5 Ų | 148.5 | 83% | 0.83 | 80% | 0.804 | S | S | * | * | trans | 104.9 | 127 | 133.2 | -89.2 | -178 | 174.4 | -165.7 | 0 | 123.1 | ||||
| 658 | H | 34.8 | Very low | 37.2 | Very low | 163 Ų | 163 | 148 Ų | 148 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | trans | 6.9 | 153.6 | 138.6 | -97.3 | -97.6 | 0 | 0 | 0 | 121.9 | ||||
| 659 | P | 49.4 | Very low | 36.8 | Very low | 120 Ų | 120 | 151 Ų | 151 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | -148.9 | -164 | 70 | 42.1 | -21.5 | 0 | 0 | 0 | 117.8 | |||||
| 660 | E | 40.7 | Very low | 36.8 | Very low | 162 Ų | 162 | 155.7 Ų | 155.7 | 76% | 0.757 | 79% | 0.789 | S | S | * | * | trans | -107.7 | 165.1 | -160.5 | -43.6 | 127 | 129.3 | 0 | 0 | 116.6 | ||||
| 661 | R | 36 | Very low | 35.8 | Very low | 240 Ų | 240 | 154.8 Ų | 154.8 | 91% | 0.906 | 78% | 0.781 | S | S | * | * | trans | 165.1 | 175.1 | 144.9 | -93.4 | 176.5 | 169.3 | 129.2 | 0.9 | 111.6 | ||||
| 662 | S | 36.8 | Very low | 35.2 | Very low | 87 Ų | 87 | 157.1 Ų | 157.1 | 61% | 0.608 | 79% | 0.786 | S | S | * | * | 173.9 | 132.4 | -61.2 | 59 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 663 | E | 35.4 | Very low | 35.1 | Very low | 198 Ų | 198 | 153.2 Ų | 153.2 | 93% | 0.925 | 79% | 0.787 | S | S | * | * | trans | -175.5 | 134.7 | 154.2 | -108 | 158.5 | -140.5 | 0 | 0 | 118.5 | ||||
| 664 | L | 31.8 | Very low | 34.6 | Very low | 162 Ų | 162 | 151.4 Ų | 151.4 | 85% | 0.848 | 78% | 0.781 | S | S | * | * | trans | -13.6 | 121.4 | 162.2 | -56.2 | 171.1 | 0 | 0 | 0 | 125.5 | ||||
| 665 | L | 36.3 | Very low | 34.6 | Very low | 152 Ų | 152 | 149.2 Ų | 149.2 | 80% | 0.796 | 78% | 0.777 | S | S | * | * | 48.3 | 123.7 | 118.9 | -136.1 | 79.9 | 0 | 0 | 0 | 125.3 | |||||
| 666 | S | 32.4 | Very low | 33.9 | Very low | 110 Ų | 110 | 145.7 Ų | 145.7 | 77% | 0.769 | 76% | 0.757 | S | S | * | * | trans | -169.1 | 179.7 | 153.6 | 58.9 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 667 | H | 34.4 | Very low | 34 | Very low | 152 Ų | 152 | 140 Ų | 140 | 70% | 0.704 | 74% | 0.742 | S | S | * | * | -158.4 | 144.8 | -66.6 | -90.9 | 132.2 | 0 | 0 | 0 | 115.1 | |||||
| 668 | L | 30.4 | Very low | 34 | Very low | 130 Ų | 130 | 139.8 Ų | 139.8 | 68% | 0.681 | 74% | 0.744 | S | S | * | * | trans | 67.2 | 105.3 | 150 | -90.3 | 69.1 | 0 | 0 | 0 | 125.4 | ||||
| 669 | R | 34.8 | Very low | 33.8 | Very low | 194 Ų | 194 | 136.4 Ų | 136.4 | 73% | 0.732 | 74% | 0.744 | S | S | * | * | 90.8 | 123.3 | 113.9 | -78.8 | 177.6 | -169.8 | -173.6 | 5.1 | 127 | |||||
| 670 | H | 39.4 | Very low | 32.9 | Very low | 171 Ų | 171 | 134 Ų | 134 | 79% | 0.792 | 74% | 0.741 | S | S | * | * | trans | 74.6 | 148.9 | 140.8 | -56.1 | -40.8 | 0 | 0 | 0 | 120.2 | ||||
| 671 | A | 28.6 | Very low | 32.6 | Very low | 81 Ų | 81 | 133.7 Ų | 133.7 | 67% | 0.669 | 74% | 0.739 | S | S | * | * | cis | -156.5 | 151.5 | 15.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 672 | T | 29.6 | Very low | 32.5 | Very low | 139 Ų | 139 | 130.8 Ų | 130.8 | 85% | 0.853 | 73% | 0.733 | S | S | * | * | trans | 42.3 | 130.7 | 142.8 | 58 | 0 | 0 | 0 | 0 | 126.3 | ||||
| 673 | A | 28.3 | Very low | 32.3 | Very low | 107 Ų | 107 | 136.6 Ų | 136.6 | 88% | 0.884 | 74% | 0.742 | S | S | * | * | 140.8 | 160.1 | 121.6 | 0 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 674 | Q | 24.7 | Very low | 32.7 | Very low | 156 Ų | 156 | 132.2 Ų | 132.2 | 73% | 0.729 | 73% | 0.731 | S | S | * | * | trans | -87.5 | 172.6 | -175.7 | -85.1 | -86.6 | -29.5 | 0 | 0 | 112.9 | ||||
| 675 | P | 38 | Very low | 32.5 | Very low | 119 Ų | 119 | 132.9 Ų | 132.9 | 77% | 0.773 | 73% | 0.727 | S | S | * | * | cis | -148.6 | 159.1 | 33 | 43.6 | -22.2 | 0 | 0 | 0 | 122.8 | ||||
| 676 | A | 28.1 | Very low | 32.6 | Very low | 33 Ų | 33 | 130.8 Ų | 130.8 | 27% | 0.273 | 73% | 0.725 | S | S | . | * | trans | 12.2 | 144.9 | 138.6 | 0 | 0 | 0 | 0 | 0 | 126.3 | T601 | T601-A676 HydrophobicContact CG2-CB 4.15Å; T601-A676 VanDerWaalsContact OG1-CB 3.26Å; T601-A676 WeakPolarHBondContact OG1-CB 3.22Å | ||
| 677 | S | 32.9 | Very low | 33.1 | Very low | 73 Ų | 73 | 131.9 Ų | 131.9 | 51% | 0.51 | 73% | 0.731 | S | S | . | * | trans | 84.1 | 147.9 | 151.9 | -21.8 | 0 | 0 | 0 | 0 | 118 | T601 | T601-S677 WeakPolarHBondContact CG2-OG 3.34Š| ||
| 678 | Q | 31.8 | Very low | 33.2 | Very low | 187 Ų | 187 | 129.2 Ų | 129.2 | 87% | 0.874 | 73% | 0.73 | S | S | * | * | cis | -129 | 161.1 | -5.4 | -74.7 | -178.8 | -13.8 | 0 | 0 | 108.2 | ||||
| 679 | A | 30.8 | Very low | 33.5 | Very low | 92 Ų | 92 | 133.1 Ų | 133.1 | 76% | 0.76 | 74% | 0.742 | S | S | * | * | cis | 126.7 | 115.4 | -1.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 680 | G | 30.6 | Very low | 33.5 | Very low | 70 Ų | 70 | 127.4 Ų | 127.4 | 72% | 0.722 | 74% | 0.744 | S | S | * | * | trans | 97.4 | 145.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 681 | Q | 34 | Very low | 33.8 | Very low | 154 Ų | 154 | 126 Ų | 126 | 72% | 0.72 | 74% | 0.742 | S | S | * | * | cis | -145.9 | 148.3 | -4.5 | -80.5 | -81.8 | -62.3 | 0 | 0 | 110.8 | ||||
| 682 | K | 34.5 | Very low | 34.6 | Very low | 179 Ų | 179 | 130.4 Ų | 130.4 | 78% | 0.778 | 75% | 0.748 | S | S | * | * | trans | 60.5 | 103.3 | 141.6 | -74.4 | 171.5 | 178.2 | 150.1 | 0 | 122.4 | ||||
| 683 | R | 31.9 | Very low | 35.8 | Very low | 209 Ų | 209 | 129.8 Ų | 129.8 | 79% | 0.789 | 74% | 0.74 | S | S | * | * | -42.3 | 163.8 | 120.5 | -74.6 | -173.3 | -161.8 | 157.9 | 2.8 | 112.7 | |||||
| 684 | P | 43.8 | Very low | 36.2 | Very low | 107 Ų | 107 | 135 Ų | 135 | 70% | 0.695 | 74% | 0.738 | S | S | * | * | cis | -139.6 | 176.8 | 29.8 | 27.2 | -1.6 | 0 | 0 | 0 | 118.4 | ||||
| 685 | F | 27.8 | Very low | 37 | Very low | 176 Ų | 176 | 132.8 Ų | 132.8 | 77% | 0.772 | 74% | 0.739 | S | S | * | * | trans | 4.8 | 149.1 | 142.3 | -43.5 | -56.6 | 0 | 0 | 0 | 118.7 | ||||
| 686 | S | 37.2 | Very low | 36.9 | Very low | 108 Ų | 108 | 135.8 Ų | 135.8 | 76% | 0.755 | 74% | 0.742 | S | S | * | * | cis | -136.5 | 175.1 | 37.1 | 58.3 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 687 | C | 43.5 | Very low | 37.1 | Very low | 132 Ų | 132 | 139.9 Ų | 139.9 | 89% | 0.892 | 76% | 0.764 | S | S | * | * | trans | -130.9 | 117.7 | 166.3 | 169.9 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 688 | S | 37.1 | Very low | 37.1 | Very low | 97 Ų | 97 | 144.7 Ų | 144.7 | 68% | 0.678 | 78% | 0.783 | S | S | * | * | trans | -164.5 | 140.7 | 171.7 | 49.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 689 | F | 35.8 | Very low | 37 | Very low | 211 Ų | 211 | 146.4 Ų | 146.4 | 93% | 0.925 | 78% | 0.781 | S | S | * | * | trans | -9.8 | 153.4 | 155.5 | -76.4 | -101.8 | 0 | 0 | 0 | 120.5 | ||||
| 690 | G | 36.1 | Very low | 37.8 | Very low | 75 Ų | 75 | 146.5 Ų | 146.5 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | trans | 176.4 | 95.7 | 160.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 691 | D | 44.5 | Very low | 37.9 | Very low | 140 Ų | 140 | 151.9 Ų | 151.9 | 75% | 0.749 | 78% | 0.78 | S | S | * | * | trans | -71.9 | 159.4 | 155.5 | -69.3 | -59.2 | 0 | 0 | 0 | 109.1 | ||||
| 692 | H | 46.6 | Very low | 37.9 | Very low | 174 Ų | 174 | 147.6 Ų | 147.6 | 81% | 0.806 | 78% | 0.778 | S | S | * | * | 176.1 | 158.3 | 117.6 | -89.5 | -55.1 | 0 | 0 | 0 | 112 | |||||
| 693 | D | 55.3 | Low | 37.9 | Very low | 126 Ų | 126 | 145 Ų | 145 | 67% | 0.674 | 78% | 0.777 | S | S | * | * | trans | -69.3 | 168.2 | 178.4 | -49.7 | -97.8 | 0 | 0 | 0 | 112.6 | ||||
| 694 | Y | 36.4 | Very low | 38.1 | Very low | 216 Ų | 216 | 140.6 Ų | 140.6 | 85% | 0.847 | 77% | 0.768 | S | S | * | * | -172.8 | 145.4 | 101.8 | -102.6 | -68.6 | 0 | 0 | 0 | 113.1 | |||||
| 695 | C | 39.9 | Very low | 37.5 | Very low | 111 Ų | 111 | 143.6 Ų | 143.6 | 75% | 0.75 | 77% | 0.773 | S | S | * | * | trans | -96.4 | 134.7 | 162.8 | -65 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 696 | Q | 36.4 | Very low | 37.8 | Very low | 181 Ų | 181 | 144.1 Ų | 144.1 | 85% | 0.846 | 77% | 0.77 | S | S | * | * | trans | -124.2 | 118.6 | 149.2 | -63.4 | -174.2 | 7.9 | 0 | 0 | 105.7 | ||||
| 697 | V | 32 | Very low | 37.6 | Very low | 120 Ų | 120 | 149.2 Ų | 149.2 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | 64.5 | 84.6 | 59.1 | -173.4 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 698 | L | 32.8 | Very low | 37.3 | Very low | 174 Ų | 174 | 149.1 Ų | 149.1 | 91% | 0.911 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -97.8 | 136.2 | 158.9 | -70.8 | 172.2 | 0 | 0 | 0 | 108.9 | ||
| 699 | R | 31.1 | Very low | 37.1 | Very low | 223 Ų | 223 | 151.9 Ų | 151.9 | 84% | 0.842 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -98.9 | 153.4 | 170.8 | -77.8 | -90.3 | -72.3 | 167.9 | 1 | 109.5 | ||
| 700 | P | 47.3 | Very low | 36.8 | Very low | 93 Ų | 93 | 152.5 Ų | 152.5 | 60% | 0.604 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 149 | 179.7 | 35.6 | -34.7 | 0 | 0 | 0 | 112.5 | ||
| 701 | E | 32.4 | Very low | 36.6 | Very low | 183 Ų | 183 | 153 Ų | 153 | 86% | 0.855 | 77% | 0.768 | S | S | * | * | -169.6 | 171.2 | 115.8 | -138.7 | 60 | -109.2 | 0 | 0 | 109 | |||||
| 702 | G | 34 | Very low | 35.6 | Very low | 65 Ų | 65 | 158.1 Ų | 158.1 | 67% | 0.67 | 78% | 0.777 | S | S | * | * | trans | -87.4 | -148.9 | -171.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 703 | V | 34.2 | Very low | 34.7 | Very low | 124 Ų | 124 | 157.7 Ų | 157.7 | 75% | 0.752 | 78% | 0.775 | S | S | * | * | cis | -154.9 | 174.1 | 7.1 | -169.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 704 | L | 35.2 | Very low | 33.9 | Very low | 117 Ų | 117 | 156.8 Ų | 156.8 | 61% | 0.613 | 78% | 0.776 | S | S | * | * | trans | 86.3 | 149 | 169 | -54.8 | 174.8 | 0 | 0 | 0 | 115.4 | ||||
| 705 | Q | 32.3 | Very low | 33.6 | Very low | 170 Ų | 170 | 152.1 Ų | 152.1 | 79% | 0.794 | 78% | 0.775 | S | S | * | * | cis | -101.7 | 160.6 | 9.3 | -92 | -69.4 | -4.9 | 0 | 0 | 115.6 | ||||
| 706 | R | 34.3 | Very low | 33 | Very low | 187 Ų | 187 | 150 Ų | 150 | 71% | 0.706 | 77% | 0.772 | S | S | * | * | trans | -102.7 | 144 | 173.9 | -60.4 | 174.8 | 178.7 | 112.6 | -4.6 | 110.1 | ||||
| 707 | K | 32.7 | Very low | 32.5 | Very low | 214 Ų | 214 | 148.2 Ų | 148.2 | 93% | 0.93 | 77% | 0.773 | S | S | * | * | trans | -122.6 | 92.9 | 150.3 | -82 | -171.3 | 178.1 | 177.7 | 0 | 109.8 | ||||
| 708 | V | 37.6 | Very low | 32.1 | Very low | 131 Ų | 131 | 150 Ų | 150 | 79% | 0.794 | 77% | 0.774 | S | S | * | * | trans | -139.5 | 124.7 | 166.9 | 174.5 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 709 | L | 32.9 | Very low | 31.7 | Very low | 154 Ų | 154 | 147.6 Ų | 147.6 | 81% | 0.806 | 76% | 0.761 | S | S | * | * | trans | -159.6 | 96.6 | 156.7 | -124.4 | 177 | 0 | 0 | 0 | 113 | ||||
| 710 | R | 29.8 | Very low | 31.7 | Very low | 224 Ų | 224 | 143.9 Ų | 143.9 | 85% | 0.845 | 75% | 0.753 | S | S | * | * | trans | 160.7 | 96.1 | 133.3 | -87 | 163.9 | -174.2 | -127.1 | -0.4 | 109.3 | ||||
| 711 | S | 31.1 | Very low | 30.7 | Very low | 87 Ų | 87 | 145.4 Ų | 145.4 | 61% | 0.608 | 76% | 0.756 | S | S | * | * | 81.1 | 107.6 | 69.3 | 70.8 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 712 | W | 24.1 | Very low | 30.3 | Very low | 247 Ų | 247 | 146.3 Ų | 146.3 | 94% | 0.936 | 75% | 0.752 | S | S | * | * | -173.1 | 146.6 | 108.8 | -141.8 | -74.9 | 0 | 0 | 0 | 111.7 | |||||
| 713 | E | 26.8 | Very low | 30.7 | Very low | 165 Ų | 165 | 148.2 Ų | 148.2 | 77% | 0.771 | 75% | 0.752 | S | S | * | * | trans | -145.5 | 164.3 | 168.8 | -120.1 | -159.1 | -162.2 | 0 | 0 | 108.4 | ||||
| 714 | P | 38.4 | Very low | 30.4 | Very low | 107 Ų | 107 | 149.3 Ų | 149.3 | 70% | 0.695 | 75% | 0.749 | S | S | * | * | cis | -133.6 | -169.5 | -4 | 38.4 | -18.8 | 0 | 0 | 0 | 114 | ||||
| 715 | S | 29.5 | Very low | 30 | Very low | 118 Ų | 118 | 152.6 Ų | 152.6 | 83% | 0.825 | 76% | 0.762 | S | S | * | * | trans | -72.6 | 165.1 | 156.7 | 54.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 716 | G | 28.5 | Very low | 29.5 | Very low | 67 Ų | 67 | 148.3 Ų | 148.3 | 69% | 0.691 | 76% | 0.762 | S | S | * | * | cis | 158.6 | 135.1 | -0.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 717 | V | 25.7 | Very low | 29 | Very low | 142 Ų | 142 | 144 Ų | 144 | 86% | 0.861 | 77% | 0.767 | S | S | * | * | trans | -137.9 | 108.5 | -159.8 | -176.2 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 718 | H | 23.5 | Very low | 29.6 | Very low | 159 Ų | 159 | 139.5 Ų | 139.5 | 74% | 0.736 | 76% | 0.76 | S | S | * | * | trans | 77.9 | 103.3 | 135 | -153.4 | -104.6 | 0 | 0 | 0 | 123.5 | ||||
| 719 | L | 25.2 | Very low | 29.1 | Very low | 122 Ų | 122 | 142.5 Ų | 142.5 | 64% | 0.639 | 76% | 0.757 | S | S | * | * | 84.5 | 119.7 | 122.5 | -144.2 | 93 | 0 | 0 | 0 | 124.3 | |||||
| 720 | E | 29.7 | Very low | 28.9 | Very low | 146 Ų | 146 | 138.7 Ų | 138.7 | 68% | 0.682 | 75% | 0.748 | S | S | * | * | 120 | 139.7 | 121.3 | -128.6 | 36 | 96.5 | 0 | 0 | 125.9 | |||||
| 721 | D | 26.6 | Very low | 28.7 | Very low | 124 Ų | 124 | 134.6 Ų | 134.6 | 66% | 0.663 | 74% | 0.738 | S | S | * | * | trans | 89.5 | 101.4 | 139.5 | -110.5 | -5.9 | 0 | 0 | 0 | 125.4 | ||||
| 722 | W | 23.9 | Very low | 28.5 | Very low | 202 Ų | 202 | 134.3 Ų | 134.3 | 77% | 0.765 | 74% | 0.741 | S | S | * | * | 65.8 | 168.4 | 126.7 | -117.1 | -148.3 | 0 | 0 | 0 | 122.1 | Q724 | W722-Q724 VanDerWaalsContact CE2-N 3.31Š| |||
| 723 | P | 41.8 | Very low | 28.6 | Very low | 106 Ų | 106 | 132 Ų | 132 | 69% | 0.688 | 74% | 0.741 | S | S | * | * | cis | -134.6 | 141.7 | 32 | 36.7 | -14.6 | 0 | 0 | 0 | 122.1 | ||||
| 724 | Q | 29.2 | Very low | 28.7 | Very low | 146 Ų | 146 | 129.3 Ų | 129.3 | 68% | 0.682 | 74% | 0.74 | S | S | * | * | trans | 71.9 | 153.2 | 141.2 | -63.9 | 174.4 | 1.3 | 0 | 0 | 119 | W722 | W722-Q724 VanDerWaalsContact CE2-N 3.31Š| ||
| 725 | Q | 25.5 | Very low | 28.8 | Very low | 187 Ų | 187 | 130.3 Ų | 130.3 | 87% | 0.874 | 75% | 0.746 | S | S | * | * | cis | -162 | 147.6 | 32.8 | -162.4 | 177.5 | 32.9 | 0 | 0 | 113 | ||||
| 726 | G | 23.6 | Very low | 28.6 | Very low | 79 Ų | 79 | 128.3 Ų | 128.3 | 81% | 0.814 | 74% | 0.744 | S | S | * | * | trans | 137.7 | 118.8 | 158.9 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 727 | A | 22.9 | Very low | 28.8 | Very low | 98 Ų | 98 | 134.8 Ų | 134.8 | 81% | 0.81 | 75% | 0.748 | S | S | * | * | trans | -151.1 | 179.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 728 | P | 46.1 | Very low | 29 | Very low | 119 Ų | 119 | 133.5 Ų | 133.5 | 77% | 0.773 | 73% | 0.733 | S | S | * | * | cis | -128.4 | -153.5 | 6 | 34.7 | -9.3 | 0 | 0 | 0 | 111.5 | ||||
| 729 | R | 25.7 | Very low | 29.4 | Very low | 193 Ų | 193 | 134.4 Ų | 134.4 | 73% | 0.728 | 74% | 0.737 | S | S | * | * | cis | -168.7 | 162.3 | 16.9 | -155.2 | -165.2 | 145.5 | 171.8 | -8.9 | 112.3 | E731 | R729-E731 IonicContact CZ-OE1 3.95Å; R729-E731 IonicContact CZ-OE2 3.65Å; R729-E731 IonicContact NE-OE1 2.68Å; R729-E731 PolarHBondContact NE-OE1 3.44Å; R729-E731 IonicContact NE-OE2 2.84Å; R729-E731 IonicContact NH2-OE1 3.71Å; R729-E731 PolarHBondContact NH2-OE1 3.39Å; R729-E731 IonicContact NH2-OE2 3.08Å; R729-E731 PolarHBondContact NH2-OE2 2.91Å | ||
| 730 | A | 28.6 | Very low | 29.6 | Very low | 74 Ų | 74 | 135 Ų | 135 | 61% | 0.612 | 74% | 0.741 | S | S | * | * | trans | 73.3 | 157.1 | 142.6 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 731 | E | 26.8 | Very low | 29.8 | Very low | 139 Ų | 139 | 138.6 Ų | 138.6 | 65% | 0.65 | 75% | 0.748 | S | S | * | * | cis | 177.9 | 135.7 | -31.4 | -95 | 134.1 | -120.7 | 0 | 0 | 105.4 | R729 | R729-E731 IonicContact CZ-OE1 3.95Å; R729-E731 IonicContact CZ-OE2 3.65Å; R729-E731 IonicContact NE-OE1 2.68Å; R729-E731 PolarHBondContact NE-OE1 3.44Å; R729-E731 IonicContact NE-OE2 2.84Å; R729-E731 IonicContact NH2-OE1 3.71Å; R729-E731 PolarHBondContact NH2-OE1 3.39Å; R729-E731 IonicContact NH2-OE2 3.08Å; R729-E731 PolarHBondContact NH2-OE2 2.91Å | ||
| 732 | A | 27.2 | Very low | 29.9 | Very low | 81 Ų | 81 | 138.6 Ų | 138.6 | 67% | 0.669 | 76% | 0.758 | S | S | * | * | cis | -169.7 | 179.9 | -19.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 733 | Q | 26.1 | Very low | 30.2 | Very low | 199 Ų | 199 | 135.3 Ų | 135.3 | 93% | 0.93 | 76% | 0.764 | S | S | * | * | trans | 89.4 | 143.8 | 153.6 | -62.5 | 167.6 | 15.6 | 0 | 0 | 123.8 | ||||
| 734 | S | 28.1 | Very low | 29.5 | Very low | 108 Ų | 108 | 134.3 Ų | 134.3 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | trans | -119.5 | 170.7 | 166.8 | 59.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 735 | P | 41.3 | Very low | 29.7 | Very low | 127 Ų | 127 | 132.6 Ų | 132.6 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | -148.7 | 154.8 | 107.7 | 36.5 | -19.3 | 0 | 0 | 0 | 114.5 | |||||
| 736 | G | 25.6 | Very low | 29.9 | Very low | 76 Ų | 76 | 127.6 Ų | 127.6 | 78% | 0.784 | 78% | 0.782 | S | S | * | * | 101.4 | 159.9 | 90.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 737 | R | 31.8 | Very low | 30.4 | Very low | 204 Ų | 204 | 128.4 Ų | 128.4 | 77% | 0.77 | 78% | 0.782 | S | S | * | * | cis | -158.4 | 127.4 | -7.2 | -103.8 | -173.4 | 146.1 | -116.6 | -17.1 | 107.2 | ||||
| 738 | E | 29.7 | Very low | 31.2 | Very low | 115 Ų | 115 | 129.5 Ų | 129.5 | 54% | 0.537 | 78% | 0.78 | S | S | . | * | 87.3 | 127.4 | 101.7 | -74.8 | 173.5 | -158.4 | 0 | 0 | 118.4 | |||||
| 739 | E | 32.1 | Very low | 31.1 | Very low | 177 Ų | 177 | 129 Ų | 129 | 83% | 0.827 | 78% | 0.777 | S | S | * | * | trans | 60.2 | 155.7 | 146.3 | -57.8 | 178.5 | 156.2 | 0 | 0 | 119.8 | ||||
| 740 | D | 29.3 | Very low | 31.6 | Very low | 134 Ų | 134 | 129.3 Ų | 129.3 | 72% | 0.717 | 78% | 0.783 | S | S | * | * | cis | -146.4 | -178.1 | 13.9 | -167.8 | 12.8 | 0 | 0 | 0 | 112.6 | ||||
| 741 | R | 34.4 | Very low | 32.3 | Very low | 223 Ų | 223 | 133.4 Ų | 133.4 | 84% | 0.842 | 80% | 0.795 | S | S | * | * | trans | -49.8 | 154.3 | -176.4 | -67.9 | 152.9 | 159.5 | 160.8 | -5.9 | 119.5 | ||||
| 742 | S | 27.5 | Very low | 33.4 | Very low | 124 Ų | 124 | 132.2 Ų | 132.2 | 87% | 0.867 | 80% | 0.802 | S | S | * | * | -169.7 | 168.7 | 110.3 | -161.2 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 743 | C | 31.8 | Very low | 34.6 | Very low | 133 Ų | 133 | 136.7 Ų | 136.7 | 90% | 0.899 | 81% | 0.812 | S | S | * | * | trans | -107.4 | 153 | -176.1 | -57.5 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 744 | G | 26.6 | Very low | 36 | Very low | 84 Ų | 84 | 135.6 Ų | 135.6 | 87% | 0.866 | 81% | 0.811 | S | S | * | * | trans | -170.7 | 146.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 745 | A | 34.1 | Very low | 37.6 | Very low | 111 Ų | 111 | 134.9 Ų | 134.9 | 92% | 0.917 | 80% | 0.798 | S | S | * | * | trans | -111.5 | 153.8 | -168.5 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 746 | G | 28.5 | Very low | 39 | Very low | 81 Ų | 81 | 138 Ų | 138 | 84% | 0.835 | 79% | 0.793 | S | S | * | * | trans | 149.4 | 104.6 | 169.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 747 | A | 34 | Very low | 41.4 | Very low | 97 Ų | 97 | 139.4 Ų | 139.4 | 80% | 0.802 | 78% | 0.783 | S | S | * | * | trans | -90.9 | 160.7 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 748 | P | 40.2 | Very low | 43.6 | Very low | 120 Ų | 120 | 136.3 Ų | 136.3 | 78% | 0.779 | 78% | 0.777 | S | S | * | * | -135.7 | 162.6 | 86.8 | 36.7 | -24 | 0 | 0 | 0 | 114.3 | |||||
| 749 | P | 44.3 | Very low | 46.1 | Very low | 108 Ų | 108 | 134.9 Ų | 134.9 | 70% | 0.701 | 77% | 0.77 | S | S | * | * | trans | -82 | 157.9 | -168.1 | 33.3 | -37.1 | 0 | 0 | 0 | 114.7 | ||||
| 750 | K | 36 | Very low | 48.5 | Very low | 200 Ų | 200 | 130.2 Ų | 130.2 | 87% | 0.87 | 75% | 0.75 | S | S | * | * | trans | -145.6 | 67.6 | 167.6 | -73.6 | -167 | 176.3 | -177.5 | 0 | 111.1 | S752 | K750-S752 PolarHBondContact O-N 3.24Š| ||
| 751 | D | 42 | Very low | 51.1 | Low | 161 Ų | 161 | 130.3 Ų | 130.3 | 86% | 0.861 | 74% | 0.741 | S | S | * | * | trans | -80.6 | 103.1 | 174.4 | -69 | -29.8 | 0 | 0 | 0 | 110.7 | ||||
| 752 | S | 50.1 | Low | 52.8 | Low | 114 Ų | 114 | 122.1 Ų | 122.1 | 80% | 0.797 | 72% | 0.72 | S | S | * | * | trans | -136.7 | 44.5 | 166.2 | 76.5 | 0 | 0 | 0 | 0 | 111.1 | K750 | K750-S752 PolarHBondContact O-N 3.24Š| ||
| 753 | M | 53.8 | Low | 55.1 | Low | 175 Ų | 175 | 118.9 Ų | 118.9 | 86% | 0.862 | 70% | 0.698 | S | S | * | * | trans | -83.4 | 132.5 | 164.3 | -76.4 | -167.1 | 171.5 | 0 | 0 | 109.1 | L755 | M753-L755 PolarHBondContact O-N 2.91Š| ||
| 754 | L | 53.9 | Low | 57.1 | Low | 175 Ų | 175 | 116.8 Ų | 116.8 | 92% | 0.916 | 68% | 0.677 | S | S | * | * | trans | -72.6 | 93.6 | 174.4 | -68.2 | 171.4 | 0 | 0 | 0 | 108.8 | ||||
| 755 | L | 62.1 | Low | 59.5 | Low | 93 Ų | 93 | 116.3 Ų | 116.3 | 49% | 0.487 | 66% | 0.658 | S | S | . | * | trans | -53.1 | 141.4 | 176.7 | -67.2 | -179.7 | 0 | 0 | 0 | 111 | M753 E759 I760 | M753-L755 PolarHBondContact O-N 2.91Å; L755-E759 HydrophobicContact CB-CB 4.19Å; L755-E759 HydrophobicContact CD2-CB 4.17Å; L755-I760 HydrophobicContact CB-CD1 4.48Å; L755-I760 HydrophobicContact CB-CG1 3.85Å | ||
| 756 | R | 71.9 | Confident | 61.7 | Low | 193 Ų | 193 | 119.7 Ų | 119.7 | 73% | 0.728 | 65% | 0.651 | S | S | * | * | trans | -75.5 | 152.9 | 173.5 | -57.7 | -69.4 | -78 | 172.6 | -4.7 | 109.2 | H758 E759 I760 | R756-H758 PolarHBondContact O-N 2.82Å; R756-E759 WeakPolarHBondContact CB-OE2 3.13Å; R756-E759 PolarHBondContact N-OE2 3.33Å; R756-E759 WeakPolarHBondContact O-CA 3.24Å; R756-E759 WeakPolarHBondContact O-CB 3.26Å; R756-E759 PolarHBondContact O-N 2.98Å; R756-I760 PolarHBondContact O-N 3.47Å; R756-I760 VanDerWaalsContact O-N 3.1Å | ||
| 757 | D | 75.9 | Confident | 63.5 | Low | 106 Ų | 106 | 123.1 Ų | 123.1 | 57% | 0.567 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -45.3 | -36.2 | -179 | -133.7 | 60.7 | 0 | 0 | 0 | 114.9 | R761 | D757-R761 VanDerWaalsContact O-CZ 3.3Å; D757-R761 PolarHBondContact O-N 2.88Å; D757-R761 PolarHBondContact O-NH1 3.26Å; D757-R761 IonicContact OD2-CZ 3.17Å; D757-R761 VanDerWaalsContact OD2-CZ 3.26Å; D757-R761 IonicContact OD2-NH1 3.47Å; D757-R761 PolarHBondContact OD2-NH1 3.42Å; D757-R761 IonicContact OD2-NH2 3.62Å; D757-R761 PolarHBondContact OD2-NH2 3.12Å |
| 758 | H | 77.1 | Confident | 65.4 | Low | 139 Ų | 139 | 126.7 Ų | 126.7 | 64% | 0.644 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -66.6 | -44 | 174.1 | 160.2 | 39.3 | 0 | 0 | 0 | 113.3 | R756 R761 A762 | R756-H758 PolarHBondContact O-N 2.82Å; H758-R761 PolarHBondContact O-N 3.05Å; H758-A762 WeakPolarHBondContact O-CB 3.45Å; H758-A762 PolarHBondContact O-N 3.22Å |
| 759 | E | 83.1 | Confident | 65.9 | Low | 85 Ų | 85 | 123.1 Ų | 123.1 | 40% | 0.397 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -72 | -34.7 | -178.3 | -61.5 | 163.7 | 142.4 | 0 | 0 | 110.5 | L755 R756 A762 S763 | L755-E759 HydrophobicContact CB-CB 4.19Å; L755-E759 HydrophobicContact CD2-CB 4.17Å; R756-E759 WeakPolarHBondContact CB-OE2 3.13Å; R756-E759 PolarHBondContact N-OE2 3.33Å; R756-E759 WeakPolarHBondContact O-CA 3.24Å; R756-E759 WeakPolarHBondContact O-CB 3.26Å; R756-E759 PolarHBondContact O-N 2.98Å; E759-A762 PolarHBondContact O-N 3.31Å; E759-S763 VanDerWaalsContact O-CB 3.25Å; E759-S763 WeakPolarHBondContact O-CB 3.31Å; E759-S763 PolarHBondContact O-N 2.83Å |
| 760 | I | 81.1 | Confident | 66 | Low | 78 Ų | 78 | 124.1 Ų | 124.1 | 40% | 0.4 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -62.1 | -49.4 | 171.2 | -59.7 | 175 | 0 | 0 | 0 | 110 | L755 R756 A762 S763 L764 | L755-I760 HydrophobicContact CB-CD1 4.48Å; L755-I760 HydrophobicContact CB-CG1 3.85Å; R756-I760 PolarHBondContact O-N 3.47Å; R756-I760 VanDerWaalsContact O-N 3.1Å; I760-A762 PolarHBondContact O-N 2.8Å; I760-S763 PolarHBondContact O-N 3.38Å; I760-L764 HydrophobicContact CG2-CD1 4.01Å; I760-L764 WeakPolarHBondContact O-CG 3.43Å; I760-L764 PolarHBondContact O-N 2.99Å |
| 761 | R | 83.9 | Confident | 66.7 | Low | 137 Ų | 137 | 123.2 Ų | 123.2 | 52% | 0.517 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -58.5 | -47.8 | 174.7 | -81.1 | -174.2 | -76.3 | -77.4 | 3.1 | 112.3 | D757 H758 S763 L764 T765 | D757-R761 VanDerWaalsContact O-CZ 3.3Å; D757-R761 PolarHBondContact O-N 2.88Å; D757-R761 PolarHBondContact O-NH1 3.26Å; D757-R761 IonicContact OD2-CZ 3.17Å; D757-R761 VanDerWaalsContact OD2-CZ 3.26Å; D757-R761 IonicContact OD2-NH1 3.47Å; D757-R761 PolarHBondContact OD2-NH1 3.42Å; D757-R761 IonicContact OD2-NH2 3.62Å; D757-R761 PolarHBondContact OD2-NH2 3.12Å; H758-R761 PolarHBondContact O-N 3.05Å; R761-S763 VanDerWaalsContact C-N 3.33Å; R761-S763 PolarHBondContact O-N 3Å; R761-L764 PolarHBondContact O-N 2.91Å; R761-T765 PolarHBondContact O-N 3.28Å; R761-T765 PolarHBondContact O-OG1 2.95Å |
| 762 | A | 70.5 | Confident | 66.8 | Low | 50 Ų | 50 | 123.1 Ų | 123.1 | 41% | 0.413 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -62.2 | -39.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | H758 E759 I760 K766 | H758-A762 WeakPolarHBondContact O-CB 3.45Å; H758-A762 PolarHBondContact O-N 3.22Å; E759-A762 PolarHBondContact O-N 3.31Å; I760-A762 PolarHBondContact O-N 2.8Å; A762-K766 VanDerWaalsContact O-CB 3.29Å; A762-K766 WeakPolarHBondContact O-CB 3.39Å; A762-K766 PolarHBondContact O-N 3.42Å |
| 763 | S | 76.6 | Confident | 66.5 | Low | 56 Ų | 56 | 123.9 Ų | 123.9 | 39% | 0.392 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -66.9 | -41.5 | 176.4 | -165.3 | 0 | 0 | 0 | 0 | 111.9 | E759 I760 R761 K766 H767 | E759-S763 VanDerWaalsContact O-CB 3.25Å; E759-S763 WeakPolarHBondContact O-CB 3.31Å; E759-S763 PolarHBondContact O-N 2.83Å; I760-S763 PolarHBondContact O-N 3.38Å; R761-S763 VanDerWaalsContact C-N 3.33Å; R761-S763 PolarHBondContact O-N 3Å; S763-K766 PolarHBondContact O-N 2.85Å; S763-H767 WeakPolarHBondContact O-CB 3.43Å; S763-H767 PolarHBondContact O-N 3.33Å |
| 764 | L | 74.1 | Confident | 65.9 | Low | 89 Ų | 89 | 120.1 Ų | 120.1 | 47% | 0.466 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -64.4 | -47.7 | 174.7 | -70.6 | 169.2 | 0 | 0 | 0 | 111.8 | I760 R761 K766 H767 F768 | I760-L764 HydrophobicContact CG2-CD1 4.01Å; I760-L764 WeakPolarHBondContact O-CG 3.43Å; I760-L764 PolarHBondContact O-N 2.99Å; R761-L764 PolarHBondContact O-N 2.91Å; L764-K766 PolarHBondContact O-N 3.33Å; L764-H767 PolarHBondContact O-N 2.99Å; L764-F768 HydrophobicContact CD2-CD2 4.32Å; L764-F768 HydrophobicContact CD2-CE2 3.9Å; L764-F768 WeakPolarHBondContact O-CD2 3.48Å; L764-F768 PolarHBondContact O-N 3.45Å |
| 765 | T | 76.6 | Confident | 65.3 | Low | 75 Ų | 75 | 120.1 Ų | 120.1 | 46% | 0.46 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -58.8 | -36.6 | 175.2 | -51.6 | 0 | 0 | 0 | 0 | 111.6 | R761 G769 L770 | R761-T765 PolarHBondContact O-N 3.28Å; R761-T765 PolarHBondContact O-OG1 2.95Å; T765-G769 WeakPolarHBondContact O-CA 3.46Å; T765-G769 PolarHBondContact O-N 3.5Å; T765-L770 HydrophobicContact CG2-CD1 4.21Å |
| 766 | K | 81 | Confident | 64.1 | Low | 181 Ų | 181 | 124.7 Ų | 124.7 | 79% | 0.787 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -69.1 | -32 | 174.2 | -177 | -175.4 | 174 | -169.2 | 0 | 113.3 | A762 S763 L764 | A762-K766 VanDerWaalsContact O-CB 3.29Å; A762-K766 WeakPolarHBondContact O-CB 3.39Å; A762-K766 PolarHBondContact O-N 3.42Å; S763-K766 PolarHBondContact O-N 2.85Å; L764-K766 PolarHBondContact O-N 3.33Å |
| 767 | H | 66.3 | Low | 62.7 | Low | 153 Ų | 153 | 124.9 Ų | 124.9 | 71% | 0.708 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -85.9 | -29.6 | -177.1 | -113.5 | -70.4 | 0 | 0 | 0 | 114.4 | S763 L764 | S763-H767 WeakPolarHBondContact O-CB 3.43Å; S763-H767 PolarHBondContact O-N 3.33Å; L764-H767 PolarHBondContact O-N 2.99Å |
| 768 | F | 73.4 | Confident | 61.1 | Low | 173 Ų | 173 | 129 Ų | 129 | 76% | 0.759 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -104.2 | -12.2 | -179.9 | -68.2 | -76.6 | 0 | 0 | 0 | 113.8 | L764 | L764-F768 HydrophobicContact CD2-CD2 4.32Å; L764-F768 HydrophobicContact CD2-CE2 3.9Å; L764-F768 WeakPolarHBondContact O-CD2 3.48Å; L764-F768 PolarHBondContact O-N 3.45Å |
| 769 | G | 50.1 | Low | 59.3 | Low | 45 Ų | 45 | 131.3 Ų | 131.3 | 46% | 0.464 | 68% | 0.677 | S | S | . | * | trans | 79.6 | 176.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | T765 | T765-G769 WeakPolarHBondContact O-CA 3.46Å; T765-G769 PolarHBondContact O-N 3.5Å | ||
| 770 | L | 47.1 | Very low | 57.4 | Low | 129 Ų | 129 | 136 Ų | 136 | 68% | 0.675 | 70% | 0.704 | S | S | * | * | trans | -100.4 | 112 | 171.2 | -148 | 78.7 | 0 | 0 | 0 | 107.7 | T765 E772 | T765-L770 HydrophobicContact CG2-CD1 4.21Å; L770-E772 PolarHBondContact O-N 3.18Å | ||
| 771 | L | 50.7 | Low | 55.1 | Low | 180 Ų | 180 | 137 Ų | 137 | 94% | 0.942 | 72% | 0.723 | S | S | * | * | trans | -84.6 | 56.7 | -172 | -161.7 | 77.4 | 0 | 0 | 0 | 111.8 | ||||
| 772 | E | 43.3 | Very low | 52.5 | Low | 159 Ų | 159 | 136.2 Ų | 136.2 | 74% | 0.743 | 74% | 0.739 | S | S | * | * | trans | -143.4 | 46.7 | -168.6 | -156.2 | 164.1 | -143.8 | 0 | 0 | 111.5 | L770 | L770-E772 PolarHBondContact O-N 3.18Š| ||
| 773 | T | 43.7 | Very low | 50.6 | Low | 131 Ų | 131 | 139.3 Ų | 139.3 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -146.6 | 25.5 | 178.8 | 57.4 | 0 | 0 | 0 | 0 | 113.7 | ||
| 774 | A | 41 | Very low | 48.4 | Very low | 96 Ų | 96 | 146.4 Ų | 146.4 | 79% | 0.793 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -137.5 | 17 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 775 | L | 41.6 | Very low | 46.4 | Very low | 174 Ų | 174 | 147.6 Ų | 147.6 | 91% | 0.911 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -137.6 | 18.2 | -175.9 | -78.9 | 173.3 | 0 | 0 | 0 | 113.7 | ||
| 776 | E | 37.4 | Very low | 44.5 | Very low | 189 Ų | 189 | 150.1 Ų | 150.1 | 88% | 0.883 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -111.9 | 3.4 | -176.1 | -65 | -164.8 | 137.8 | 0 | 0 | 114.9 | ||
| 777 | E | 43 | Very low | 42.1 | Very low | 197 Ų | 197 | 150.1 Ų | 150.1 | 92% | 0.921 | 82% | 0.816 | S | S | * | * | S | Bend | trans | -105.4 | -8.9 | -174.5 | -162.7 | 161.1 | -156.4 | 0 | 0 | 114.9 | ||
| 778 | E | 42.2 | Very low | 40.2 | Very low | 192 Ų | 192 | 153.5 Ų | 153.5 | 90% | 0.897 | 82% | 0.824 | S | S | * | * | S | Bend | trans | -128.5 | 51 | -170 | -156.3 | 171.9 | -168.8 | 0 | 0 | 115.3 | ||
| 779 | E | 38.2 | Very low | 38.1 | Very low | 189 Ų | 189 | 151.4 Ų | 151.4 | 88% | 0.883 | 82% | 0.821 | S | S | * | * | trans | -142.9 | 65.1 | 163.2 | -157.9 | 179.7 | -159.3 | 0 | 0 | 113.6 | ||||
| 780 | L | 44.1 | Very low | 37.2 | Very low | 184 Ų | 184 | 155.1 Ų | 155.1 | 96% | 0.963 | 84% | 0.835 | S | S | * | * | trans | -139.5 | 52.5 | 168 | -85.4 | -176.6 | 0 | 0 | 0 | 113.3 | ||||
| 781 | A | 33.1 | Very low | 36.6 | Very low | 97 Ų | 97 | 155 Ų | 155 | 80% | 0.802 | 84% | 0.839 | S | S | * | * | trans | -151.9 | 143.3 | 168.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 782 | S | 29.9 | Very low | 35.5 | Very low | 122 Ų | 122 | 155.9 Ų | 155.9 | 85% | 0.853 | 84% | 0.836 | S | S | * | * | trans | 63.4 | 120.3 | 159.1 | -153 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 783 | C | 30.2 | Very low | 35.3 | Very low | 114 Ų | 114 | 156.1 Ų | 156.1 | 77% | 0.77 | 84% | 0.837 | S | S | * | * | trans | -110.7 | 169.9 | 174.6 | -49.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 784 | K | 30.7 | Very low | 34.6 | Very low | 205 Ų | 205 | 155.8 Ų | 155.8 | 89% | 0.891 | 83% | 0.83 | S | S | * | * | trans | 80.9 | 117 | 160.9 | -56.6 | 178.2 | 177.9 | -174.9 | 0 | 118.1 | ||||
| 785 | S | 30.3 | Very low | 34.3 | Very low | 114 Ų | 114 | 156 Ų | 156 | 80% | 0.797 | 83% | 0.826 | S | S | * | * | trans | -111 | 152.2 | 147.6 | -57.3 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 786 | P | 36.8 | Very low | 33.7 | Very low | 129 Ų | 129 | 153 Ų | 153 | 84% | 0.838 | 82% | 0.82 | S | S | * | * | trans | -84.1 | 164.2 | 179.4 | 34.5 | -35.4 | 0 | 0 | 0 | 113.5 | ||||
| 787 | E | 30.4 | Very low | 33.4 | Very low | 180 Ų | 180 | 150.4 Ų | 150.4 | 84% | 0.841 | 82% | 0.822 | S | S | * | * | trans | -90.6 | 149 | 178.9 | -64.3 | 144.4 | 134.4 | 0 | 0 | 112.7 | ||||
| 788 | Y | 27.3 | Very low | 32.8 | Very low | 225 Ų | 225 | 145.8 Ų | 145.8 | 88% | 0.882 | 81% | 0.812 | S | S | * | * | trans | 167.8 | 144 | 155.6 | -100.3 | -68.8 | 0 | 0 | 0 | 106.5 | ||||
| 789 | D | 28.5 | Very low | 32.2 | Very low | 129 Ų | 129 | 142.2 Ų | 142.2 | 69% | 0.69 | 81% | 0.808 | S | S | * | * | cis | -146.8 | 164.4 | -0.1 | -163.2 | 0.7 | 0 | 0 | 0 | 109.8 | ||||
| 790 | T | 32.8 | Very low | 31.8 | Very low | 123 Ų | 123 | 137.3 Ų | 137.3 | 76% | 0.755 | 81% | 0.808 | S | S | * | * | trans | -127.2 | 104.8 | -176.5 | 52.3 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 791 | V | 33 | Very low | 30.9 | Very low | 126 Ų | 126 | 137.7 Ų | 137.7 | 76% | 0.764 | 81% | 0.805 | S | S | * | * | trans | -165.8 | 147.4 | 148.4 | -99.1 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 792 | F | 27.4 | Very low | 30.6 | Very low | 198 Ų | 198 | 137.7 Ų | 137.7 | 87% | 0.868 | 80% | 0.799 | S | S | * | * | cis | -148.1 | 147.4 | 46.5 | -127.3 | -84.9 | 0 | 0 | 0 | 113 | ||||
| 793 | E | 39.3 | Very low | 30.5 | Very low | 164 Ų | 164 | 136.2 Ų | 136.2 | 77% | 0.766 | 79% | 0.789 | S | S | * | * | trans | -85.2 | 142.5 | 173 | -104.5 | -77.1 | 92.7 | 0 | 0 | 113 | ||||
| 794 | D | 28.8 | Very low | 30.2 | Very low | 125 Ų | 125 | 139.5 Ų | 139.5 | 67% | 0.668 | 79% | 0.79 | S | S | * | * | trans | 34.4 | 154.6 | 147.7 | -153.2 | 38.1 | 0 | 0 | 0 | 126 | ||||
| 795 | S | 35.6 | Very low | 29.9 | Very low | 100 Ų | 100 | 136.8 Ų | 136.8 | 70% | 0.699 | 79% | 0.785 | S | S | * | * | trans | 83.9 | 154.2 | 143.1 | -102.8 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 796 | S | 29.5 | Very low | 30.3 | Very low | 112 Ų | 112 | 135.6 Ų | 135.6 | 78% | 0.783 | 77% | 0.774 | S | S | * | * | trans | -124.6 | 128 | -173 | -67.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 797 | S | 30.2 | Very low | 29.8 | Very low | 134 Ų | 134 | 137.6 Ų | 137.6 | 94% | 0.937 | 77% | 0.773 | S | S | * | * | trans | -170.6 | 171.2 | 142.2 | -93.5 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 798 | S | 30.4 | Very low | 29.8 | Very low | 100 Ų | 100 | 137.6 Ų | 137.6 | 70% | 0.699 | 77% | 0.772 | S | S | * | * | trans | -92.7 | 153.4 | -163.4 | 56.3 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 799 | S | 30.3 | Very low | 30 | Very low | 117 Ų | 117 | 134.5 Ų | 134.5 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | trans | 63.1 | 106.5 | 144.1 | 62.2 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 800 | G | 29.1 | Very low | 30.2 | Very low | 86 Ų | 86 | 136 Ų | 136 | 89% | 0.887 | 77% | 0.769 | S | S | * | * | trans | -143.3 | 154.3 | 157.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 801 | E | 26.3 | Very low | 30.2 | Very low | 192 Ų | 192 | 137.2 Ų | 137.2 | 90% | 0.897 | 77% | 0.766 | S | S | * | * | trans | -118.2 | 143 | -168.8 | -161 | -175 | 81.2 | 0 | 0 | 112.2 | ||||
| 802 | S | 26.2 | Very low | 30.1 | Very low | 96 Ų | 96 | 140 Ų | 140 | 67% | 0.671 | 77% | 0.771 | S | S | * | * | trans | 76.3 | 121.7 | 153.2 | -153.7 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 803 | S | 28.3 | Very low | 30.3 | Very low | 92 Ų | 92 | 133.9 Ų | 133.9 | 64% | 0.643 | 76% | 0.763 | S | S | * | * | trans | 101.9 | 113.9 | 132.1 | -71 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 804 | F | 22.8 | Very low | 29.9 | Very low | 182 Ų | 182 | 134.2 Ų | 134.2 | 80% | 0.798 | 77% | 0.765 | S | S | * | * | trans | 61.4 | 109.6 | 140.1 | -73.3 | -87.4 | 0 | 0 | 0 | 122 | ||||
| 805 | L | 24.4 | Very low | 30 | Very low | 148 Ų | 148 | 135.8 Ų | 135.8 | 78% | 0.775 | 77% | 0.768 | S | S | * | * | 22.4 | 150.6 | 117.6 | -61.3 | 176.1 | 0 | 0 | 0 | 120.4 | |||||
| 806 | P | 38.1 | Very low | 29.8 | Very low | 89 Ų | 89 | 138.7 Ų | 138.7 | 58% | 0.578 | 77% | 0.771 | S | S | * | * | cis | -146 | -179.9 | -26.3 | 42 | -24.3 | 0 | 0 | 0 | 115.6 | ||||
| 807 | E | 26.8 | Very low | 29.9 | Very low | 172 Ų | 172 | 141 Ų | 141 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | trans | 61.7 | 167.7 | 141.8 | -75.8 | 157.2 | 148.1 | 0 | 0 | 121.3 | ||||
| 808 | E | 31.3 | Very low | 30.1 | Very low | 179 Ų | 179 | 142.5 Ų | 142.5 | 84% | 0.836 | 76% | 0.762 | S | S | * | * | trans | 63.8 | 135.8 | 174.5 | -62.2 | 171 | -157.1 | 0 | 0 | 116.7 | ||||
| 809 | E | 31 | Very low | 30.2 | Very low | 160 Ų | 160 | 143.6 Ų | 143.6 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | cis | 169 | 159.2 | -35.3 | -102.9 | 176.1 | 159.3 | 0 | 0 | 105.4 | ||||
| 810 | E | 32.1 | Very low | 30.5 | Very low | 160 Ų | 160 | 142.9 Ų | 142.9 | 75% | 0.748 | 75% | 0.746 | S | S | * | * | trans | 68.6 | 128.7 | 151.5 | -73.7 | 174.1 | 173 | 0 | 0 | 123.6 | ||||
| 811 | E | 33.9 | Very low | 30.9 | Very low | 150 Ų | 150 | 145.8 Ų | 145.8 | 70% | 0.701 | 74% | 0.737 | S | S | * | * | trans | 76.7 | 115.5 | 133.7 | -69.1 | -171.1 | 158.1 | 0 | 0 | 124.1 | ||||
| 812 | E | 31.1 | Very low | 31.4 | Very low | 184 Ų | 184 | 143.8 Ų | 143.8 | 86% | 0.86 | 73% | 0.728 | S | S | * | * | trans | 64.9 | -177.2 | 131.7 | -59.5 | -167 | 156.4 | 0 | 0 | 118.8 | ||||
| 813 | G | 30.8 | Very low | 32 | Very low | 69 Ų | 69 | 146.9 Ų | 146.9 | 71% | 0.711 | 73% | 0.731 | S | S | * | * | trans | 102.6 | 46.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 814 | E | 31.9 | Very low | 32.2 | Very low | 171 Ų | 171 | 148.5 Ų | 148.5 | 80% | 0.799 | 73% | 0.733 | S | S | * | * | trans | 17.1 | 134.6 | 133.4 | -66.8 | 176.4 | 154.3 | 0 | 0 | 120 | ||||
| 815 | E | 30 | Very low | 32.5 | Very low | 159 Ų | 159 | 145 Ų | 145 | 74% | 0.743 | 73% | 0.731 | S | S | * | * | trans | 76.6 | 121.6 | 134.1 | -70.1 | -179.2 | 178.5 | 0 | 0 | 121.6 | ||||
| 816 | E | 31.7 | Very low | 32.6 | Very low | 160 Ų | 160 | 140.6 Ų | 140.6 | 75% | 0.748 | 72% | 0.721 | S | S | * | * | trans | 76.5 | 109.6 | 131.9 | -68.3 | -165.2 | 172.6 | 0 | 0 | 121 | ||||
| 817 | E | 32 | Very low | 32.1 | Very low | 161 Ų | 161 | 142.5 Ų | 142.5 | 75% | 0.752 | 73% | 0.731 | S | S | * | * | 78 | 170 | 119.6 | -69.3 | -69.5 | 178.7 | 0 | 0 | 119.5 | |||||
| 818 | E | 33.9 | Very low | 32.2 | Very low | 166 Ų | 166 | 139.9 Ų | 139.9 | 78% | 0.776 | 73% | 0.732 | S | S | * | * | trans | 42.1 | 108.8 | 154.3 | -75.3 | -177.6 | -163.3 | 0 | 0 | 116.7 | ||||
| 819 | D | 32.2 | Very low | 32.7 | Very low | 123 Ų | 123 | 135.9 Ų | 135.9 | 66% | 0.658 | 72% | 0.721 | S | S | * | * | cis | 170.3 | -179.4 | 19 | -143.9 | -5.3 | 0 | 0 | 0 | 108.2 | ||||
| 820 | N | 35.6 | Very low | 32.6 | Very low | 101 Ų | 101 | 134.9 Ų | 134.9 | 54% | 0.54 | 73% | 0.726 | S | S | . | * | trans | 58.8 | 100.8 | 142 | -65.4 | -29.3 | 0 | 0 | 0 | 120.9 | ||||
| 821 | E | 39 | Very low | 32.2 | Very low | 147 Ų | 147 | 132.8 Ų | 132.8 | 69% | 0.687 | 73% | 0.728 | S | S | * | * | 98.9 | 145.6 | 103.5 | -80.8 | 173.4 | 167.6 | 0 | 0 | 118.9 | |||||
| 822 | E | 36.8 | Very low | 32.6 | Very low | 151 Ų | 151 | 130.7 Ų | 130.7 | 71% | 0.706 | 73% | 0.73 | S | S | * | * | trans | 43.5 | 122.8 | 135.6 | -59.9 | -169.6 | 171.9 | 0 | 0 | 119.2 | ||||
| 823 | E | 37.3 | Very low | 32.3 | Very low | 160 Ų | 160 | 127.8 Ų | 127.8 | 75% | 0.748 | 72% | 0.72 | S | S | * | * | cis | -169.9 | -173.5 | 5.1 | -136.6 | -171.5 | 171.5 | 0 | 0 | 111.8 | S825 | E823-S825 PolarHBondContact O-N 3.1Š| ||
| 824 | D | 33.3 | Very low | 32.2 | Very low | 126 Ų | 126 | 132.3 Ų | 132.3 | 67% | 0.674 | 72% | 0.722 | S | S | * | * | trans | 2.6 | 109.1 | 139.3 | -165.2 | 51.2 | 0 | 0 | 0 | 117.1 | ||||
| 825 | S | 29.2 | Very low | 32.7 | Very low | 110 Ų | 110 | 130.3 Ų | 130.3 | 77% | 0.769 | 73% | 0.726 | S | S | * | * | -163.4 | 120.1 | 91.6 | 26.1 | 0 | 0 | 0 | 0 | 110.9 | E823 | E823-S825 PolarHBondContact O-N 3.1Š| |||
| 826 | G | 26.4 | Very low | 33 | Very low | 54 Ų | 54 | 128.6 Ų | 128.6 | 56% | 0.557 | 73% | 0.729 | S | S | * | * | cis | 82.3 | 120.8 | 41.6 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 827 | V | 28.1 | Very low | 32.8 | Very low | 130 Ų | 130 | 131.6 Ų | 131.6 | 79% | 0.788 | 74% | 0.735 | S | S | * | * | trans | 69.1 | 69 | 156.9 | -172.1 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 828 | S | 28.2 | Very low | 32.8 | Very low | 117 Ų | 117 | 132.3 Ų | 132.3 | 82% | 0.818 | 74% | 0.738 | S | S | * | * | 63 | -136.9 | 108.6 | -56.1 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 829 | P | 42 | Very low | 32.6 | Very low | 94 Ų | 94 | 129.3 Ų | 129.3 | 61% | 0.61 | 74% | 0.735 | S | S | * | * | -129.8 | 167 | -97.8 | 36.3 | -20.6 | 0 | 0 | 0 | 118.4 | |||||
| 830 | T | 29.3 | Very low | 33.4 | Very low | 139 Ų | 139 | 129.1 Ų | 129.1 | 85% | 0.853 | 74% | 0.741 | S | S | * | * | trans | 73.7 | 158.2 | 144.7 | 46.7 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 831 | C | 23.9 | Very low | 34 | Very low | 116 Ų | 116 | 130 Ų | 130 | 78% | 0.784 | 75% | 0.752 | S | S | * | * | trans | 86.9 | 71.7 | 155 | -134.3 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 832 | S | 41.5 | Very low | 33.5 | Very low | 106 Ų | 106 | 128.1 Ų | 128.1 | 74% | 0.741 | 76% | 0.755 | S | S | * | * | trans | -15.5 | 129.8 | 130.8 | 146.1 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 833 | D | 26.1 | Very low | 33.4 | Very low | 124 Ų | 124 | 130.7 Ų | 130.7 | 66% | 0.663 | 76% | 0.764 | S | S | * | * | trans | -156.6 | 153.3 | 136.9 | -126.4 | -26.9 | 0 | 0 | 0 | 116.8 | ||||
| 834 | H | 28 | Very low | 33.1 | Very low | 163 Ų | 163 | 127.6 Ų | 127.6 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | trans | 65.3 | 130.2 | 157.3 | -60.9 | 1.4 | 0 | 0 | 0 | 121.9 | ||||
| 835 | C | 42 | Very low | 33 | Very low | 130 Ų | 130 | 127.7 Ų | 127.7 | 88% | 0.878 | 78% | 0.776 | S | S | * | * | trans | -140.1 | 144.8 | 166.1 | -62.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 836 | P | 36.1 | Very low | 33 | Very low | 123 Ų | 123 | 133.5 Ų | 133.5 | 80% | 0.799 | 78% | 0.781 | S | S | * | * | trans | -112.4 | 127.2 | 173.9 | 36.6 | -27.7 | 0 | 0 | 0 | 115.8 | ||||
| 837 | Y | 28 | Very low | 33.5 | Very low | 222 Ų | 222 | 139.8 Ų | 139.8 | 87% | 0.871 | 80% | 0.796 | S | S | * | * | trans | 60.6 | 95 | 132.8 | -128.9 | -90.9 | 0 | 0 | 0 | 122.5 | ||||
| 838 | Q | 31.2 | Very low | 33.3 | Very low | 177 Ų | 177 | 141.7 Ų | 141.7 | 83% | 0.827 | 80% | 0.801 | S | S | * | * | trans | -158.3 | 163 | 132.3 | -95.9 | -72.9 | 11.9 | 0 | 0 | 107.7 | ||||
| 839 | S | 29.7 | Very low | 33.1 | Very low | 102 Ų | 102 | 141.4 Ų | 141.4 | 71% | 0.713 | 80% | 0.798 | S | S | * | * | trans | -164.7 | 175 | -171.6 | -66 | 0 | 0 | 0 | 0 | 111 | ||||
| 840 | P | 49.1 | Very low | 32.3 | Very low | 119 Ų | 119 | 142.3 Ų | 142.3 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | cis | -125.1 | -156.7 | -5.6 | 44.9 | -29.2 | 0 | 0 | 0 | 110.8 | ||||
| 841 | P | 48 | Very low | 32.1 | Very low | 120 Ų | 120 | 146.8 Ų | 146.8 | 78% | 0.779 | 81% | 0.808 | S | S | * | * | cis | -114.6 | 179.7 | -18 | 42.6 | -28.4 | 0 | 0 | 0 | 111.8 | ||||
| 842 | S | 28.3 | Very low | 32.5 | Very low | 108 Ų | 108 | 146.2 Ų | 146.2 | 76% | 0.755 | 81% | 0.805 | S | S | * | * | cis | -145.8 | 150.9 | 20.1 | 61.2 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 843 | K | 36.5 | Very low | 31.8 | Very low | 205 Ų | 205 | 152.5 Ų | 152.5 | 89% | 0.891 | 81% | 0.813 | S | S | * | * | trans | -12.1 | 140.7 | 161.3 | -55.9 | 167.7 | -175.7 | 175.5 | 0 | 118 | ||||
| 844 | A | 31.1 | Very low | 31.9 | Very low | 94 Ų | 94 | 151.6 Ų | 151.6 | 78% | 0.777 | 82% | 0.816 | S | S | * | * | cis | -168.5 | 143.9 | -9.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 845 | S | 29.5 | Very low | 32 | Very low | 128 Ų | 128 | 148.8 Ų | 148.8 | 90% | 0.895 | 82% | 0.815 | S | S | * | * | trans | 65.1 | 152.7 | 156.4 | -150.3 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 846 | R | 29.3 | Very low | 31.4 | Very low | 232 Ų | 232 | 148.7 Ų | 148.7 | 88% | 0.875 | 82% | 0.815 | S | S | * | * | trans | -108 | 160.1 | -173.9 | -80.3 | -176.6 | 168.9 | -169.7 | -2.8 | 113.8 | ||||
| 847 | Q | 37.7 | Very low | 31.1 | Very low | 186 Ų | 186 | 146.7 Ų | 146.7 | 87% | 0.869 | 82% | 0.817 | S | S | * | * | trans | -14.5 | 145.9 | 158.1 | -58.6 | 172.3 | -13.8 | 0 | 0 | 119 | ||||
| 848 | L | 24.2 | Very low | 31.2 | Very low | 170 Ų | 170 | 141.5 Ų | 141.5 | 89% | 0.89 | 81% | 0.813 | S | S | * | * | trans | -154.7 | 166.9 | 135.8 | -117.8 | 174.4 | 0 | 0 | 0 | 111.5 | ||||
| 849 | C | 23.2 | Very low | 31.3 | Very low | 112 Ų | 112 | 138.5 Ų | 138.5 | 76% | 0.757 | 81% | 0.812 | S | S | * | * | trans | -76.4 | 139.3 | -168.8 | -46.9 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 850 | S | 26.1 | Very low | 31 | Very low | 113 Ų | 113 | 138.4 Ų | 138.4 | 79% | 0.79 | 81% | 0.812 | S | S | * | * | trans | -168.3 | 124.2 | 135.2 | -83.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 851 | R | 24.6 | Very low | 30 | Very low | 232 Ų | 232 | 137.2 Ų | 137.2 | 88% | 0.875 | 81% | 0.805 | S | S | * | * | 64.1 | 72.4 | 67.8 | -161.8 | 178.5 | -173.3 | 155.6 | 6.3 | 113.5 | |||||
| 852 | S | 31.8 | Very low | 29 | Very low | 105 Ų | 105 | 139.5 Ų | 139.5 | 73% | 0.734 | 81% | 0.805 | S | S | * | * | trans | 51.6 | 103.9 | 143.9 | -45.9 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 853 | R | 27.4 | Very low | 29 | Very low | 238 Ų | 238 | 139 Ų | 139 | 90% | 0.898 | 80% | 0.801 | S | S | * | * | trans | -162.1 | 109.7 | 137.2 | -103.6 | 136.8 | -166.5 | -90.1 | -2.7 | 113.2 | ||||
| 854 | S | 28.2 | Very low | 28.4 | Very low | 104 Ų | 104 | 141.4 Ų | 141.4 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | 54.4 | 154.9 | 120.2 | -50.5 | 0 | 0 | 0 | 0 | 123 | |||||
| 855 | S | 29.3 | Very low | 28.4 | Very low | 105 Ų | 105 | 142.2 Ų | 142.2 | 73% | 0.734 | 81% | 0.805 | S | S | * | * | trans | 72.3 | 102.3 | 151.3 | 42.1 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 856 | S | 30.5 | Very low | 29.2 | Very low | 127 Ų | 127 | 141.8 Ų | 141.8 | 89% | 0.888 | 80% | 0.799 | S | S | * | * | 61.1 | 102.3 | 115.6 | -48.9 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 857 | G | 29 | Very low | 29.4 | Very low | 82 Ų | 82 | 135.1 Ų | 135.1 | 85% | 0.845 | 79% | 0.793 | S | S | * | * | trans | -137.8 | 117.3 | 152.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 858 | S | 30.8 | Very low | 29.1 | Very low | 112 Ų | 112 | 133 Ų | 133 | 78% | 0.783 | 79% | 0.793 | S | S | * | * | trans | -88.2 | 167.2 | -172.8 | -61 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 859 | S | 32.1 | Very low | 29.7 | Very low | 114 Ų | 114 | 135.7 Ų | 135.7 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | trans | 92.6 | 160.1 | 140.5 | 77.6 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 860 | S | 24.6 | Very low | 30.2 | Very low | 101 Ų | 101 | 141.8 Ų | 141.8 | 71% | 0.706 | 80% | 0.799 | S | S | * | * | trans | 72.8 | 69.3 | 162.8 | -63.1 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 861 | C | 28.3 | Very low | 30.8 | Very low | 93 Ų | 93 | 143.5 Ų | 143.5 | 63% | 0.628 | 80% | 0.799 | S | S | * | * | 44.1 | 152.4 | 111.3 | 68.7 | 0 | 0 | 0 | 0 | 124.1 | |||||
| 862 | H | 26.5 | Very low | 30.8 | Very low | 169 Ų | 169 | 141.6 Ų | 141.6 | 78% | 0.782 | 80% | 0.797 | S | S | * | * | trans | 70.6 | 142.4 | 164.7 | -48.3 | -55.6 | 0 | 0 | 0 | 117 | ||||
| 863 | S | 28 | Very low | 31.2 | Very low | 96 Ų | 96 | 145.9 Ų | 145.9 | 67% | 0.671 | 80% | 0.797 | S | S | * | * | cis | -169.7 | 147 | -16.4 | 44.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 864 | W | 24.1 | Very low | 31.2 | Very low | 256 Ų | 256 | 141.1 Ų | 141.1 | 97% | 0.97 | 80% | 0.799 | S | S | * | * | trans | -170.3 | 141.5 | 151.4 | -110.8 | -38.2 | 0 | 0 | 0 | 115.4 | ||||
| 865 | S | 31.8 | Very low | 31.3 | Very low | 112 Ų | 112 | 142.5 Ų | 142.5 | 78% | 0.783 | 79% | 0.794 | S | S | * | * | trans | 179.2 | 164.3 | 157.3 | -82.1 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 866 | P | 45.7 | Very low | 31.5 | Very low | 118 Ų | 118 | 142.2 Ų | 142.2 | 77% | 0.766 | 79% | 0.792 | S | S | * | * | cis | -130.5 | 179.5 | 2.5 | 41.2 | -25.6 | 0 | 0 | 0 | 115.5 | ||||
| 867 | A | 32.5 | Very low | 31.7 | Very low | 92 Ų | 92 | 147.5 Ų | 147.5 | 76% | 0.76 | 79% | 0.792 | S | S | * | * | trans | 66.4 | 141.8 | 159.3 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 868 | T | 31.7 | Very low | 31.7 | Very low | 141 Ų | 141 | 146.3 Ų | 146.3 | 87% | 0.865 | 78% | 0.78 | S | S | * | * | cis | -124.3 | 148.8 | 26.3 | -63.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 869 | R | 38.2 | Very low | 32.3 | Very low | 227 Ų | 227 | 147.4 Ų | 147.4 | 86% | 0.857 | 79% | 0.785 | S | S | * | * | trans | -78.1 | 131.1 | -169.7 | -51.9 | 179.4 | -163.2 | -102.7 | 3.9 | 113 | ||||
| 870 | R | 32.7 | Very low | 32.4 | Very low | 241 Ų | 241 | 147.4 Ų | 147.4 | 91% | 0.909 | 78% | 0.783 | S | S | * | * | trans | -134.7 | 143.6 | 145.6 | -101 | -172.5 | 169.5 | 89.2 | -0.8 | 108.6 | ||||
| 871 | N | 38 | Very low | 33.2 | Very low | 149 Ų | 149 | 147.8 Ų | 147.8 | 80% | 0.797 | 79% | 0.786 | S | S | * | * | trans | -82 | 125 | -169.9 | -58.1 | -28.3 | 0 | 0 | 0 | 111 | ||||
| 872 | F | 26 | Very low | 33.6 | Very low | 192 Ų | 192 | 149.1 Ų | 149.1 | 84% | 0.842 | 79% | 0.787 | S | S | * | * | trans | -146.6 | 128.3 | 157.5 | -99.2 | -74 | 0 | 0 | 0 | 112.1 | ||||
| 873 | R | 38.9 | Very low | 34.4 | Very low | 195 Ų | 195 | 147.6 Ų | 147.6 | 74% | 0.736 | 77% | 0.774 | S | S | * | * | trans | 30.7 | 92.9 | 136.6 | -174.7 | -175.7 | -76.7 | -108 | 5.1 | 116 | E875 | R873-E875 VanDerWaalsContact CD-OE2 3.29Å; R873-E875 WeakPolarHBondContact CD-OE2 3.43Å; R873-E875 HydrophobicContact CG-CB 4.27Å; R873-E875 IonicContact CZ-OE2 2.69Å; R873-E875 IonicContact NE-OE2 3.76Å; R873-E875 IonicContact NH1-OE2 2.69Å; R873-E875 PolarHBondContact NH1-OE2 2.97Å; R873-E875 PolarHBondContact O-N 2.74Å | ||
| 874 | C | 27.6 | Very low | 35.4 | Very low | 137 Ų | 137 | 146.6 Ų | 146.6 | 93% | 0.926 | 76% | 0.764 | S | S | * | * | trans | -83.9 | 102.6 | 163 | -170.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 875 | E | 31.5 | Very low | 36.9 | Very low | 134 Ų | 134 | 138.3 Ų | 138.3 | 63% | 0.626 | 74% | 0.743 | S | S | * | * | trans | -111.4 | 114.6 | -179.6 | -135 | 179.2 | 104.4 | 0 | 0 | 110.7 | R873 | R873-E875 VanDerWaalsContact CD-OE2 3.29Å; R873-E875 WeakPolarHBondContact CD-OE2 3.43Å; R873-E875 HydrophobicContact CG-CB 4.27Å; R873-E875 IonicContact CZ-OE2 2.69Å; R873-E875 IonicContact NE-OE2 3.76Å; R873-E875 IonicContact NH1-OE2 2.69Å; R873-E875 PolarHBondContact NH1-OE2 2.97Å; R873-E875 PolarHBondContact O-N 2.74Å | ||
| 876 | S | 32.3 | Very low | 38.4 | Very low | 99 Ų | 99 | 136.5 Ų | 136.5 | 69% | 0.692 | 73% | 0.73 | S | S | * | * | trans | 65.4 | 139.8 | 168.8 | -129.3 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 877 | R | 36.2 | Very low | 39.4 | Very low | 237 Ų | 237 | 134.2 Ų | 134.2 | 89% | 0.894 | 71% | 0.711 | S | S | * | * | cis | -145.5 | 138.2 | 34 | -73.9 | 175.5 | 176.7 | -91 | -8.2 | 113.8 | ||||
| 878 | G | 27.5 | Very low | 41.2 | Very low | 57 Ų | 57 | 137.1 Ų | 137.1 | 59% | 0.588 | 70% | 0.703 | S | S | * | * | trans | -179.7 | 97.1 | 159.2 | 0 | 0 | 0 | 0 | 0 | 106.1 | C880 | G878-C880 PolarHBondContact O-N 2.78Š| ||
| 879 | P | 43.7 | Very low | 43.1 | Very low | 136 Ų | 136 | 136.2 Ų | 136.2 | 88% | 0.883 | 69% | 0.688 | S | S | * | * | trans | -71.3 | 87.1 | -177.5 | 29.1 | -33.5 | 0 | 0 | 0 | 109.1 | S881 | P879-S881 PolarHBondContact O-N 3.42Š| ||
| 880 | C | 35.5 | Very low | 44.7 | Very low | 113 Ų | 113 | 127.1 Ų | 127.1 | 76% | 0.764 | 66% | 0.661 | S | S | * | * | trans | -49.4 | 129.9 | 149.4 | -64.3 | 0 | 0 | 0 | 0 | 106.9 | G878 D882 | G878-C880 PolarHBondContact O-N 2.78Å; C880-D882 PolarHBondContact O-N 2.75Å | ||
| 881 | S | 40.3 | Very low | 46.7 | Very low | 110 Ų | 110 | 123.4 Ų | 123.4 | 77% | 0.769 | 65% | 0.648 | S | S | * | * | trans | -53.9 | 114.3 | 165.9 | 50.8 | 0 | 0 | 0 | 0 | 107.9 | P879 R883 | P879-S881 PolarHBondContact O-N 3.42Å; S881-R883 PolarHBondContact O-N 3.47Å | ||
| 882 | D | 37.8 | Very low | 48.7 | Very low | 120 Ų | 120 | 122.9 Ų | 122.9 | 64% | 0.642 | 64% | 0.638 | S | S | * | * | trans | -71.8 | 85.7 | 176.3 | -126.8 | -42.9 | 0 | 0 | 0 | 107.5 | C880 T884 R888 | C880-D882 PolarHBondContact O-N 2.75Å; D882-T884 PolarHBondContact O-N 3.38Å; D882-R888 IonicContact OD1-CZ 3.19Å; D882-R888 IonicContact OD1-NH2 2.83Å; D882-R888 PolarHBondContact OD1-NH2 3.48Å; D882-R888 IonicContact OD2-NH2 2.59Å | ||
| 883 | R | 42.5 | Very low | 51.1 | Low | 138 Ų | 138 | 121.5 Ų | 121.5 | 52% | 0.521 | 63% | 0.627 | S | S | . | * | trans | -71.5 | 89.4 | 172 | -143.3 | -172.2 | -172 | -122.5 | -0.5 | 105.9 | E447 S881 I887 | E447-R883 IonicContact OE1-CZ 2.68Å; E447-R883 IonicContact OE1-NH2 3.8Å; E447-R883 PolarHBondContact OE1-NH2 2.93Å; E447-R883 IonicContact OE2-CZ 2.78Å; E447-R883 IonicContact OE2-NH1 2.93Å; E447-R883 PolarHBondContact OE2-NH1 2.9Å; E447-R883 IonicContact OE2-NH2 3.26Å; E447-R883 PolarHBondContact OE2-NH2 3.06Å; S881-R883 PolarHBondContact O-N 3.47Å; R883-I887 HydrophobicContact CB-CD1 4.05Å; R883-I887 HydrophobicContact CG-CD1 3.6Å | ||
| 884 | T | 49.5 | Very low | 52.9 | Low | 75 Ų | 75 | 114.6 Ų | 114.6 | 46% | 0.46 | 60% | 0.601 | S | S | . | * | trans | 27.1 | 129 | 174.3 | 54.5 | 0 | 0 | 0 | 0 | 117 | D882 S886 I887 | D882-T884 PolarHBondContact O-N 3.38Å; T884-S886 PolarHBondContact O-N 3.43Å; T884-I887 PolarHBondContact O-N 2.79Å; T884-I887 WeakPolarHBondContact OG1-CD1 3.43Å; T884-I887 WeakPolarHBondContact OG1-CG1 3.4Å | ||
| 885 | P | 56.2 | Low | 55.4 | Low | 82 Ų | 82 | 112.7 Ų | 112.7 | 53% | 0.532 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -53.6 | -33.6 | 176.8 | 22.2 | -32.4 | 0 | 0 | 0 | 111.9 | I887 R888 H889 | P885-I887 VanDerWaalsContact C-N 3.29Å; P885-I887 PolarHBondContact O-N 3.14Å; P885-R888 WeakPolarHBondContact O-CB 3.13Å; P885-R888 PolarHBondContact O-N 2.78Å; P885-H889 PolarHBondContact O-CD2 2.85Å; P885-H889 PolarHBondContact O-N 2.9Å; P885-H889 VanDerWaalsContact O-N 3.12Å |
| 886 | S | 61.7 | Low | 57.8 | Low | 73 Ų | 73 | 112.4 Ų | 112.4 | 51% | 0.51 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -41.6 | -49 | 169.7 | -177.6 | 0 | 0 | 0 | 0 | 113.7 | T884 R888 H889 A890 | T884-S886 PolarHBondContact O-N 3.43Å; S886-R888 VanDerWaalsContact C-N 3.29Å; S886-R888 PolarHBondContact O-N 3.2Å; S886-H889 CarbonylContact O-C 3.34Å; S886-H889 PolarHBondContact O-N 2.95Å; S886-A890 WeakPolarHBondContact O-CB 3.48Å; S886-A890 PolarHBondContact O-N 3Å |
| 887 | I | 66.4 | Low | 60.1 | Low | 70 Ų | 70 | 107.9 Ų | 107.9 | 36% | 0.359 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62.5 | -35.6 | -178.5 | -67.8 | 170 | 0 | 0 | 0 | 111.8 | R883 T884 P885 R891 | R883-I887 HydrophobicContact CB-CD1 4.05Å; R883-I887 HydrophobicContact CG-CD1 3.6Å; T884-I887 PolarHBondContact O-N 2.79Å; T884-I887 WeakPolarHBondContact OG1-CD1 3.43Å; T884-I887 WeakPolarHBondContact OG1-CG1 3.4Å; P885-I887 VanDerWaalsContact C-N 3.29Å; P885-I887 PolarHBondContact O-N 3.14Å; I887-R891 VanDerWaalsContact O-CB 3.24Å; I887-R891 WeakPolarHBondContact O-CB 3.49Å; I887-R891 PolarHBondContact O-N 3.09Å |
| 888 | R | 70.6 | Confident | 62.2 | Low | 154 Ų | 154 | 98.9 Ų | 98.9 | 58% | 0.581 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -69 | -38.8 | 174.9 | -65 | -172.3 | -110.3 | 162.4 | -7.3 | 111.3 | D882 P885 S886 K892 | D882-R888 IonicContact OD1-CZ 3.19Å; D882-R888 IonicContact OD1-NH2 2.83Å; D882-R888 PolarHBondContact OD1-NH2 3.48Å; D882-R888 IonicContact OD2-NH2 2.59Å; P885-R888 WeakPolarHBondContact O-CB 3.13Å; P885-R888 PolarHBondContact O-N 2.78Å; S886-R888 VanDerWaalsContact C-N 3.29Å; S886-R888 PolarHBondContact O-N 3.2Å; R888-K892 WeakPolarHBondContact O-CB 3.44Å; R888-K892 PolarHBondContact O-N 2.9Å; R888-K892 VanDerWaalsContact O-N 3.09Å |
| 889 | H | 72.1 | Confident | 64.4 | Low | 121 Ų | 121 | 99.6 Ų | 99.6 | 56% | 0.56 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -72.1 | -43.3 | 176.5 | -68.5 | -78.2 | 0 | 0 | 0 | 112.6 | P885 S886 K892 R893 | P885-H889 PolarHBondContact O-CD2 2.85Å; P885-H889 PolarHBondContact O-N 2.9Å; P885-H889 VanDerWaalsContact O-N 3.12Å; S886-H889 CarbonylContact O-C 3.34Å; S886-H889 PolarHBondContact O-N 2.95Å; H889-K892 PolarHBondContact O-N 2.96Å; H889-R893 WeakPolarHBondContact O-CG 3.24Å; H889-R893 PolarHBondContact O-N 3.37Å |
| 890 | A | 71.6 | Confident | 66.3 | Low | 36 Ų | 36 | 97.2 Ų | 97.2 | 30% | 0.298 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.2 | -47.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | S886 K892 R893 R894 | S886-A890 WeakPolarHBondContact O-CB 3.48Å; S886-A890 PolarHBondContact O-N 3Å; A890-K892 VanDerWaalsContact C-N 3.33Å; A890-K892 PolarHBondContact O-N 3.01Å; A890-R893 WeakPolarHBondContact O-CB 3.38Å; A890-R893 PolarHBondContact O-N 3.29Å; A890-R894 WeakPolarHBondContact O-CB 3.38Å; A890-R894 PolarHBondContact O-N 3.16Å |
| 891 | R | 75.1 | Confident | 68.5 | Low | 164 Ų | 164 | 92.8 Ų | 92.8 | 62% | 0.619 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -56.8 | -45.1 | 172.7 | -179.8 | 177 | 169.2 | -174.7 | -6.2 | 111.8 | I887 R894 E895 | I887-R891 VanDerWaalsContact O-CB 3.24Å; I887-R891 WeakPolarHBondContact O-CB 3.49Å; I887-R891 PolarHBondContact O-N 3.09Å; R891-R894 PolarHBondContact O-N 3.07Å; R891-E895 HydrophobicContact CG-CG 4.34Å; R891-E895 IonicContact CZ-OE1 2.71Å; R891-E895 IonicContact NE-OE1 3.64Å; R891-E895 PolarHBondContact NE-OE1 3.21Å; R891-E895 IonicContact NE-OE2 2.66Å; R891-E895 IonicContact NH2-OE1 2.86Å; R891-E895 PolarHBondContact NH2-OE1 3.12Å; R891-E895 WeakPolarHBondContact O-CB 3.23Å; R891-E895 WeakPolarHBondContact O-CG 3.34Å; R891-E895 PolarHBondContact O-N 3.32Å |
| 892 | K | 79.9 | Confident | 70.8 | Confident | 137 Ų | 137 | 91 Ų | 91 | 60% | 0.596 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -66.1 | -35.9 | 178.3 | -168.2 | 175.5 | -177.6 | -179.2 | 0 | 112.7 | R888 H889 A890 K896 | R888-K892 WeakPolarHBondContact O-CB 3.44Å; R888-K892 PolarHBondContact O-N 2.9Å; R888-K892 VanDerWaalsContact O-N 3.09Å; H889-K892 PolarHBondContact O-N 2.96Å; A890-K892 VanDerWaalsContact C-N 3.33Å; A890-K892 PolarHBondContact O-N 3.01Å; K892-K896 WeakPolarHBondContact O-CG 3.39Å; K892-K896 PolarHBondContact O-N 3.26Å; K892-K896 VanDerWaalsContact O-N 3.14Å |
| 893 | R | 76.9 | Confident | 73.4 | Confident | 164 Ų | 164 | 85.3 Ų | 85.3 | 62% | 0.619 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -62.7 | -46.7 | 171.2 | -74.6 | -170.8 | -72.5 | 148.9 | -6.6 | 111.1 | H889 A890 K896 A897 | H889-R893 WeakPolarHBondContact O-CG 3.24Å; H889-R893 PolarHBondContact O-N 3.37Å; A890-R893 WeakPolarHBondContact O-CB 3.38Å; A890-R893 PolarHBondContact O-N 3.29Å; R893-K896 WeakPolarHBondContact O-CB 3.36Å; R893-K896 PolarHBondContact O-N 2.95Å; R893-A897 PolarHBondContact O-N 3.19Å |
| 894 | R | 76.5 | Confident | 75.7 | Confident | 49 Ų | 49 | 78.8 Ų | 78.8 | 19% | 0.185 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -68.9 | -37.5 | -179.9 | -168.2 | 168.1 | 176.4 | 171.1 | -9.3 | 112.9 | A890 R891 A897 I898 E930 E932 | A890-R894 WeakPolarHBondContact O-CB 3.38Å; A890-R894 PolarHBondContact O-N 3.16Å; R891-R894 PolarHBondContact O-N 3.07Å; R894-A897 PolarHBondContact O-N 3.4Å; R894-I898 HydrophobicContact CG-CD1 4.36Å; R894-I898 WeakPolarHBondContact O-CB 3.41Å; R894-I898 VanDerWaalsContact O-CG1 3.24Å; R894-I898 WeakPolarHBondContact O-CG1 3.15Å; R894-I898 PolarHBondContact O-N 2.83Å; R894-E930 VanDerWaalsContact CD-OE1 3.31Å; R894-E930 WeakPolarHBondContact CD-OE1 3.38Å; R894-E930 IonicContact CZ-OE1 2.67Å; R894-E930 VanDerWaalsContact CZ-OE1 3.31Å; R894-E930 IonicContact NE-OE1 2.78Å; R894-E930 PolarHBondContact NE-OE1 3.26Å; R894-E930 IonicContact NE-OE2 3.13Å; R894-E930 IonicContact NH1-OE1 3.74Å; R894-E930 PolarHBondContact NH1-OE1 2.83Å; R894-E932 IonicContact CZ-OE2 3.93Å; R894-E932 IonicContact NH1-OE2 2.78Å; R894-E932 PolarHBondContact NH1-OE2 3.04Å; R894-E932 IonicContact NH2-OE2 2.75Å; R894-E932 PolarHBondContact NH2-OE2 3.48Å |
| 895 | E | 79.4 | Confident | 77.7 | Confident | 97 Ų | 97 | 76 Ų | 76 | 45% | 0.453 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -65.5 | -38.7 | 173.8 | -76.4 | 175.2 | 165.4 | 0 | 0 | 112.2 | R891 I898 G899 | R891-E895 HydrophobicContact CG-CG 4.34Å; R891-E895 IonicContact CZ-OE1 2.71Å; R891-E895 IonicContact NE-OE1 3.64Å; R891-E895 PolarHBondContact NE-OE1 3.21Å; R891-E895 IonicContact NE-OE2 2.66Å; R891-E895 IonicContact NH2-OE1 2.86Å; R891-E895 PolarHBondContact NH2-OE1 3.12Å; R891-E895 WeakPolarHBondContact O-CB 3.23Å; R891-E895 WeakPolarHBondContact O-CG 3.34Å; R891-E895 PolarHBondContact O-N 3.32Å; E895-I898 PolarHBondContact O-N 3.19Å; E895-G899 PolarHBondContact O-N 2.69Å; E895-G899 VanDerWaalsContact O-N 3.09Å |
| 896 | K | 83.1 | Confident | 79.4 | Confident | 129 Ų | 129 | 72 Ų | 72 | 56% | 0.561 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -59.7 | -53.6 | 168.5 | -81.5 | -172.2 | 170.6 | -159.2 | 0 | 112 | K892 R893 I898 G899 E900 | K892-K896 WeakPolarHBondContact O-CG 3.39Å; K892-K896 PolarHBondContact O-N 3.26Å; K892-K896 VanDerWaalsContact O-N 3.14Å; R893-K896 WeakPolarHBondContact O-CB 3.36Å; R893-K896 PolarHBondContact O-N 2.95Å; K896-I898 PolarHBondContact O-N 3.27Å; K896-G899 WeakPolarHBondContact O-CA 3.2Å; K896-G899 PolarHBondContact O-N 2.69Å; K896-E900 VanDerWaalsContact O-CD 3.31Å; K896-E900 VanDerWaalsContact O-CG 3.31Å; K896-E900 WeakPolarHBondContact O-CG 3.43Å; K896-E900 PolarHBondContact O-N 3.43Å |
| 897 | A | 79.8 | Confident | 80.7 | Confident | 4 Ų | 4 | 73.2 Ų | 73.2 | 3% | 0.033 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -60.6 | -29.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | R893 R894 G901 R902 V903 T947 | R893-A897 PolarHBondContact O-N 3.19Å; R894-A897 PolarHBondContact O-N 3.4Å; A897-G901 PolarHBondContact O-N 3.11Å; A897-R902 HydrophobicContact CB-CB 4.3Å; A897-R902 PolarHBondContact O-N 2.81Å; A897-V903 HydrophobicContact CB-CG2 3.86Å; A897-T947 HydrophobicContact CB-CG2 3.71Å |
| 898 | I | 80.8 | Confident | 81.7 | Confident | 47 Ų | 47 | 72.1 Ų | 72.1 | 24% | 0.241 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -67.7 | -47.2 | 170 | -72.5 | 166 | 0 | 0 | 0 | 111.1 | R894 E895 K896 E900 G901 V903 | R894-I898 HydrophobicContact CG-CD1 4.36Å; R894-I898 WeakPolarHBondContact O-CB 3.41Å; R894-I898 VanDerWaalsContact O-CG1 3.24Å; R894-I898 WeakPolarHBondContact O-CG1 3.15Å; R894-I898 PolarHBondContact O-N 2.83Å; E895-I898 PolarHBondContact O-N 3.19Å; K896-I898 PolarHBondContact O-N 3.27Å; I898-E900 VanDerWaalsContact C-N 3.29Å; I898-E900 PolarHBondContact O-N 2.8Å; I898-G901 PolarHBondContact O-N 3.25Å; I898-G901 VanDerWaalsContact O-N 3.12Å; I898-V903 HydrophobicContact CG1-CB 3.95Å; I898-V903 HydrophobicContact CG1-CG1 4.29Å; I898-V903 HydrophobicContact CG1-CG2 3.78Å |
| 899 | G | 72.3 | Confident | 82.5 | Confident | 72 Ų | 72 | 65.1 Ų | 65.1 | 74% | 0.742 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -63 | -34.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | E895 K896 G901 | E895-G899 PolarHBondContact O-N 2.69Å; E895-G899 VanDerWaalsContact O-N 3.09Å; K896-G899 WeakPolarHBondContact O-CA 3.2Å; K896-G899 PolarHBondContact O-N 2.69Å; G899-G901 PolarHBondContact O-N 2.94Å |
| 900 | E | 83.7 | Confident | 83.1 | Confident | 86 Ų | 86 | 60.1 Ų | 60.1 | 40% | 0.402 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | 3.2 | 176.2 | -63.3 | 152.8 | -167.2 | 0 | 0 | 113.1 | K896 I898 R902 S951 | K896-E900 VanDerWaalsContact O-CD 3.31Å; K896-E900 VanDerWaalsContact O-CG 3.31Å; K896-E900 WeakPolarHBondContact O-CG 3.43Å; K896-E900 PolarHBondContact O-N 3.43Å; I898-E900 VanDerWaalsContact C-N 3.29Å; I898-E900 PolarHBondContact O-N 2.8Å; E900-R902 HydrophobicContact CB-CG 4.01Å; E900-R902 PolarHBondContact O-N 3.27Å; E900-R902 IonicContact OE2-CZ 2.72Å; E900-R902 IonicContact OE2-NE 2.66Å; E900-R902 PolarHBondContact OE2-NE 3.3Å; E900-R902 IonicContact OE2-NH2 3.35Å; E900-R902 PolarHBondContact OE2-NH2 2.7Å; E900-S951 WeakPolarHBondContact O-CB 3.46Å |
| 901 | G | 83 | Confident | 83.8 | Confident | 21 Ų | 21 | 61.7 Ų | 61.7 | 22% | 0.216 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 71.3 | 6.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | A897 I898 G899 V903 A954 Y976 | A897-G901 PolarHBondContact O-N 3.11Å; I898-G901 PolarHBondContact O-N 3.25Å; I898-G901 VanDerWaalsContact O-N 3.12Å; G899-G901 PolarHBondContact O-N 2.94Å; G901-V903 VanDerWaalsContact C-N 3.28Å; G901-V903 PolarHBondContact O-N 3.29Å; G901-A954 WeakPolarHBondContact O-CB 3.47Å; G901-Y976 WeakPolarHBondContact O-CD1 3.36Å; G901-Y976 VanDerWaalsContact O-CE1 3.29Å; G901-Y976 WeakPolarHBondContact O-CE1 3.38Å |
| 902 | R | 88.9 | Confident | 84.2 | Confident | 72 Ų | 72 | 60.5 Ų | 60.5 | 27% | 0.272 | 30% | 0.304 | S | S | . | . | trans | -75.2 | -10.5 | -175 | -58.4 | -161 | -81.7 | 159.1 | -3.8 | 114.8 | A897 E900 Y948 R949 | A897-R902 HydrophobicContact CB-CB 4.3Å; A897-R902 PolarHBondContact O-N 2.81Å; E900-R902 HydrophobicContact CB-CG 4.01Å; E900-R902 PolarHBondContact O-N 3.27Å; E900-R902 IonicContact OE2-CZ 2.72Å; E900-R902 IonicContact OE2-NE 2.66Å; E900-R902 PolarHBondContact OE2-NE 3.3Å; E900-R902 IonicContact OE2-NH2 3.35Å; E900-R902 PolarHBondContact OE2-NH2 2.7Å; R902-Y948 PolarHBondContact O-N 2.87Å; R902-R949 WeakPolarHBondContact CD-O 3.44Å; R902-R949 PolarHBondContact NH1-O 3.43Å | ||
| 903 | V | 90.9 | Very high | 84.5 | Confident | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.006 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 129 | -179.4 | 179.6 | 0 | 0 | 0 | 0 | 111.6 | A897 I898 G901 I946 T947 Y976 G977 | A897-V903 HydrophobicContact CB-CG2 3.86Å; I898-V903 HydrophobicContact CG1-CB 3.95Å; I898-V903 HydrophobicContact CG1-CG1 4.29Å; I898-V903 HydrophobicContact CG1-CG2 3.78Å; G901-V903 VanDerWaalsContact C-N 3.28Å; G901-V903 PolarHBondContact O-N 3.29Å; V903-I946 CarbonylContact C-O 3.5Å; V903-I946 WeakPolarHBondContact CA-O 3.23Å; V903-T947 HydrophobicContact CG2-CG2 3.97Å; V903-Y976 CarbonylContact O-C 3.55Å; V903-G977 WeakPolarHBondContact O-CA 3.29Å; V903-G977 PolarHBondContact O-N 3.04Å |
| 904 | V | 91.8 | Very high | 85.1 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 127.1 | 173.1 | -176.5 | 0 | 0 | 0 | 0 | 109.7 | I906 I946 Y948 A954 L958 L974 | V904-I906 HydrophobicContact CG1-CG1 4.2Å; V904-I946 PolarHBondContact N-O 2.94Å; V904-I946 PolarHBondContact O-N 3.4Å; V904-Y948 HydrophobicContact CB-CE2 4.27Å; V904-Y948 HydrophobicContact CG2-CD2 3.96Å; V904-Y948 HydrophobicContact CG2-CE2 3.65Å; V904-A954 HydrophobicContact CG2-CB 3.6Å; V904-L958 HydrophobicContact CB-CD1 4.15Å; V904-L958 HydrophobicContact CG1-CD1 3.72Å; V904-L958 HydrophobicContact CG2-CD1 3.54Å; V904-L974 HydrophobicContact CG1-CB 4.45Å; V904-L974 HydrophobicContact CG1-CD2 4.37Å |
| 905 | Y | 90.9 | Very high | 85.8 | Confident | 16 Ų | 16 | 49 Ų | 49 | 6% | 0.063 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 125.2 | 175.3 | 171.1 | -129.4 | 0 | 0 | 0 | 110.8 | R907 Y943 G944 F945 L974 S975 F982 | Y905-R907 HydrophobicContact CD1-CG 4.11Å; Y905-R907 HydrophobicContact CE1-CG 3.43Å; Y905-R907 VanDerWaalsContact CE1-CG 3.43Å; Y905-R907 HydrophobicContact CE2-CG 4.22Å; Y905-R907 VanDerWaalsContact CZ-CG 3.49Å; Y905-Y943 HydrophobicContact CE2-CD1 4.09Å; Y905-Y943 AromaticContact CZ-CD1 3.95Å; Y905-Y943 VanDerWaalsContact OH-CD1 3.22Å; Y905-Y943 WeakPolarHBondContact OH-CD1 3.49Å; Y905-G944 WeakPolarHBondContact CD2-O 3.41Å; Y905-F945 AromaticContact CD2-CD1 3.8Å; Y905-F945 HydrophobicContact CD2-CD1 3.8Å; Y905-F945 HydrophobicContact CD2-CD2 4.36Å; Y905-F945 AromaticContact CD2-CE1 3.31Å; Y905-F945 HydrophobicContact CD2-CE1 3.31Å; Y905-F945 AromaticContact CD2-CE2 3.9Å; Y905-F945 HydrophobicContact CD2-CE2 3.9Å; Y905-F945 HydrophobicContact CD2-CG 4.3Å; Y905-F945 AromaticContact CD2-CZ 3.36Å; Y905-F945 HydrophobicContact CD2-CZ 3.36Å; Y905-F945 AromaticContact CE2-CE1 3.88Å; Y905-F945 HydrophobicContact CE2-CE1 3.88Å; Y905-F945 AromaticContact CE2-CE2 3.87Å; Y905-F945 HydrophobicContact CE2-CE2 3.87Å; Y905-F945 AromaticContact CE2-CZ 3.42Å; Y905-F945 HydrophobicContact CE2-CZ 3.42Å; Y905-F945 VanDerWaalsContact CE2-CZ 3.42Å; Y905-F945 HydrophobicContact CG-CD1 4.37Å; Y905-F945 AromaticContact CG-CE1 3.89Å; Y905-F945 HydrophobicContact CG-CE1 3.89Å; Y905-F945 HydrophobicContact CG-CZ 4.3Å; Y905-L974 WeakPolarHBondContact O-CA 3.25Å; Y905-S975 WeakPolarHBondContact CD1-OG 3.27Å; Y905-S975 PolarHBondContact N-O 3.07Å; Y905-S975 PolarHBondContact O-N 3.49Å; Y905-S975 PolarHBondContact O-OG 3.43Å; Y905-F982 WeakPolarHBondContact OH-CD2 3.07Å; Y905-F982 WeakPolarHBondContact OH-CE2 3.49Å |
| 906 | I | 91.1 | Very high | 86.4 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 105.9 | -170.3 | -49.7 | -167.4 | 0 | 0 | 0 | 109.5 | V904 L909 L918 F922 Y943 G944 I946 F972 L974 | V904-I906 HydrophobicContact CG1-CG1 4.2Å; I906-L909 HydrophobicContact CG2-CD2 3.65Å; I906-L909 HydrophobicContact CG2-CG 4.24Å; I906-L918 HydrophobicContact CD1-CD1 4.09Å; I906-L918 HydrophobicContact CD1-CD2 4.37Å; I906-F922 HydrophobicContact CD1-CD1 4.04Å; I906-F922 HydrophobicContact CD1-CD2 4.14Å; I906-F922 HydrophobicContact CD1-CE1 3.73Å; I906-F922 HydrophobicContact CD1-CE2 3.85Å; I906-F922 HydrophobicContact CD1-CG 4.24Å; I906-F922 HydrophobicContact CD1-CZ 3.64Å; I906-Y943 CarbonylContact O-C 3.59Å; I906-Y943 WeakPolarHBondContact O-CA 3.35Å; I906-G944 PolarHBondContact N-O 2.87Å; I906-G944 PolarHBondContact O-N 3.32Å; I906-I946 HydrophobicContact CD1-CD1 3.49Å; I906-I946 VanDerWaalsContact CD1-CD1 3.49Å; I906-I946 HydrophobicContact CD1-CG1 3.89Å; I906-F972 HydrophobicContact CG2-CB 4.29Å; I906-L974 HydrophobicContact CB-CD2 4.04Å; I906-L974 HydrophobicContact CD1-CD2 3.93Å; I906-L974 HydrophobicContact CG1-CD2 3.6Å; I906-L974 HydrophobicContact CG2-CD2 3.76Å |
| 907 | R | 89.3 | Confident | 86.8 | Confident | 97 Ų | 97 | 48 Ų | 48 | 37% | 0.366 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 152 | 173.7 | -62.2 | -165.2 | -90.2 | -176.6 | -2.2 | 110.9 | Y905 Y943 H973 | Y905-R907 HydrophobicContact CD1-CG 4.11Å; Y905-R907 HydrophobicContact CE1-CG 3.43Å; Y905-R907 VanDerWaalsContact CE1-CG 3.43Å; Y905-R907 HydrophobicContact CE2-CG 4.22Å; Y905-R907 VanDerWaalsContact CZ-CG 3.49Å; R907-Y943 HydrophobicContact CB-CD1 4.19Å; R907-Y943 HydrophobicContact CB-CE1 4.18Å; R907-Y943 HydrophobicContact CG-CD1 3.96Å; R907-Y943 HydrophobicContact CG-CE1 4.06Å; R907-H973 HydrophobicContact CB-CB 4.21Å; R907-H973 PolarHBondContact N-O 3.04Å; R907-H973 PolarHBondContact NE-CD2 3.38Å; R907-H973 PolarHBondContact NH2-CD2 2.9Å; R907-H973 PolarHBondContact NH2-NE2 3.17Å; R907-H973 PolarHBondContact O-N 3.47Å |
| 908 | N | 87.8 | Confident | 87.3 | Confident | 47 Ų | 47 | 47.8 Ų | 47.8 | 25% | 0.251 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 70.6 | 44.3 | 165.1 | -158.9 | 56.8 | 0 | 0 | 0 | 113.7 | K941 P970 S971 | N908-K941 PolarHBondContact OD1-NZ 2.88Å; N908-P970 WeakPolarHBondContact ND2-CB 3.3Å; N908-P970 WeakPolarHBondContact O-CB 3.32Å; N908-P970 WeakPolarHBondContact O-CG 3.43Å; N908-S971 PolarHBondContact ND2-O 3.46Å |
| 909 | L | 88.3 | Confident | 87.9 | Confident | 7 Ų | 7 | 50 Ų | 50 | 4% | 0.037 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 157.5 | 167 | -61.9 | 176.6 | 0 | 0 | 0 | 110.9 | I906 M913 L918 V933 K942 F972 | I906-L909 HydrophobicContact CG2-CD2 3.65Å; I906-L909 HydrophobicContact CG2-CG 4.24Å; L909-M913 HydrophobicContact CB-CB 4.35Å; L909-M913 HydrophobicContact CB-CG 4.28Å; L909-M913 HydrophobicContact CD2-CE 4.5Å; L909-M913 HydrophobicContact CD2-CG 4.42Å; L909-L918 HydrophobicContact CD1-CD1 4.47Å; L909-L918 HydrophobicContact CD1-CD2 4.05Å; L909-L918 HydrophobicContact CD2-CD1 3.75Å; L909-V933 HydrophobicContact CD1-CG1 3.97Å; L909-V933 HydrophobicContact CD1-CG2 4.49Å; L909-K942 HydrophobicContact CB-CB 3.72Å; L909-K942 HydrophobicContact CD1-CB 4.27Å; L909-K942 PolarHBondContact N-O 3.49Å; L909-K942 VanDerWaalsContact N-O 3.16Å; L909-F972 HydrophobicContact CD2-CD1 3.94Å; L909-F972 HydrophobicContact CD2-CE1 3.92Å |
| 910 | S | 85 | Confident | 88.8 | Confident | 16 Ų | 16 | 55.4 Ų | 55.4 | 11% | 0.112 | 27% | 0.268 | C | S | . | . | trans | -69.2 | 163.9 | 168.9 | 57.2 | 0 | 0 | 0 | 0 | 111.2 | D912 M913 | S910-D912 PolarHBondContact O-N 3.19Å; S910-M913 WeakPolarHBondContact OG-CG 3.31Å | ||
| 911 | S | 84.7 | Confident | 89.2 | Confident | 70 Ų | 70 | 52.5 Ų | 52.5 | 49% | 0.49 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -29.7 | 173.6 | 39.3 | 0 | 0 | 0 | 0 | 113 | K942 | S911-K942 WeakPolarHBondContact O-CD 3.47Å; S911-K942 WeakPolarHBondContact O-CE 3.29Å; S911-K942 PolarHBondContact O-NZ 3.35Å |
| 912 | D | 83.8 | Confident | 89.6 | Confident | 139 Ų | 139 | 51.5 Ų | 51.5 | 74% | 0.743 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.4 | -2 | -163.4 | -37.8 | -31.9 | 0 | 0 | 0 | 112.2 | S910 | S910-D912 PolarHBondContact O-N 3.19Š|
| 913 | M | 86.6 | Confident | 89.8 | Confident | 3 Ų | 3 | 52.2 Ų | 52.2 | 2% | 0.015 | 25% | 0.25 | C | C | . | . | trans | -69.2 | 132.1 | 173.2 | -78.8 | -78.4 | -161.8 | 0 | 0 | 112 | L909 S910 E917 K942 F972 | L909-M913 HydrophobicContact CB-CB 4.35Å; L909-M913 HydrophobicContact CB-CG 4.28Å; L909-M913 HydrophobicContact CD2-CE 4.5Å; L909-M913 HydrophobicContact CD2-CG 4.42Å; S910-M913 WeakPolarHBondContact OG-CG 3.31Å; M913-E917 HydrophobicContact SD-CG 3.69Å; M913-K942 WeakPolarHBondContact O-CD 3.48Å; M913-K942 PolarHBondContact O-NZ 2.89Å; M913-F972 HydrophobicContact CE-CE1 3.68Å; M913-F972 HydrophobicContact CE-CZ 3.46Å; M913-F972 VanDerWaalsContact CE-CZ 3.46Å | ||
| 914 | S | 89.8 | Confident | 89.9 | Confident | 55 Ų | 55 | 57.3 Ų | 57.3 | 39% | 0.385 | 28% | 0.281 | S | S | . | . | trans | -100.7 | 170.9 | 164.6 | 61.4 | 0 | 0 | 0 | 0 | 111.1 | E917 L918 | S914-E917 WeakPolarHBondContact OG-CB 3.38Å; S914-E917 PolarHBondContact OG-N 3.15Å; S914-E917 VanDerWaalsContact OG-N 3.17Å; S914-L918 WeakPolarHBondContact O-CB 3.46Å; S914-L918 PolarHBondContact O-N 3.41Å; S914-L918 VanDerWaalsContact O-N 3.11Å | ||
| 915 | S | 91.5 | Very high | 89.8 | Confident | 51 Ų | 51 | 58.5 Ų | 58.5 | 36% | 0.357 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -57.4 | -49.5 | 167.9 | 46.1 | 0 | 0 | 0 | 0 | 111.5 | E917 L918 K919 C931 | S915-E917 PolarHBondContact O-N 3.3Å; S915-L918 WeakPolarHBondContact O-CB 3.34Å; S915-L918 PolarHBondContact O-N 3.03Å; S915-L918 VanDerWaalsContact O-N 3.09Å; S915-K919 PolarHBondContact O-N 3.02Å; S915-C931 WeakPolarHBondContact CB-O 3.29Å; S915-C931 PolarHBondContact O-SG 3.05Å |
| 916 | R | 91.3 | Very high | 89.8 | Confident | 150 Ų | 150 | 58.6 Ų | 58.6 | 57% | 0.566 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -60.8 | -43.9 | -179.1 | -52.8 | -170.4 | -153.8 | 159.2 | 28.7 | 113.4 | E441 L918 K919 R920 | E441-R916 IonicContact OE1-CZ 3.49Å; E441-R916 IonicContact OE1-NE 3.17Å; E441-R916 PolarHBondContact OE1-NE 3.38Å; E441-R916 IonicContact OE1-NH1 2.67Å; E441-R916 PolarHBondContact OE1-NH1 3.08Å; E441-R916 IonicContact OE1-NH2 2.77Å; E441-R916 PolarHBondContact OE1-NH2 2.88Å; E441-R916 IonicContact OE2-CZ 3.99Å; E441-R916 IonicContact OE2-NE 3.31Å; E441-R916 IonicContact OE2-NH1 3.81Å; E441-R916 PolarHBondContact OE2-NH1 3.22Å; E441-R916 IonicContact OE2-NH2 2.72Å; E441-R916 PolarHBondContact OE2-NH2 3.09Å; R916-L918 VanDerWaalsContact C-N 3.3Å; R916-L918 PolarHBondContact O-N 3.41Å; R916-K919 PolarHBondContact O-N 3.2Å; R916-R920 WeakPolarHBondContact O-CB 3.27Å; R916-R920 PolarHBondContact O-N 2.72Å |
| 917 | E | 91.2 | Very high | 89.9 | Confident | 54 Ų | 54 | 63.5 Ų | 63.5 | 25% | 0.252 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -67.6 | -30.2 | 175.2 | 170.9 | 71 | 175.3 | 0 | 0 | 111.9 | M913 S914 S915 R921 K966 | M913-E917 HydrophobicContact SD-CG 3.69Å; S914-E917 WeakPolarHBondContact OG-CB 3.38Å; S914-E917 PolarHBondContact OG-N 3.15Å; S914-E917 VanDerWaalsContact OG-N 3.17Å; S915-E917 PolarHBondContact O-N 3.3Å; E917-R921 WeakPolarHBondContact O-CG 3.39Å; E917-R921 PolarHBondContact O-N 3.49Å; E917-R921 IonicContact OE1-CZ 2.66Å; E917-R921 IonicContact OE1-NE 3.71Å; E917-R921 PolarHBondContact OE1-NE 3.5Å; E917-R921 IonicContact OE1-NH2 2.76Å; E917-R921 PolarHBondContact OE1-NH2 2.94Å; E917-K966 IonicContact OE1-NZ 2.75Å; E917-K966 PolarHBondContact OE1-NZ 2.96Å |
| 918 | L | 91.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -72.5 | -47.6 | 173.9 | -170.9 | 67.5 | 0 | 0 | 0 | 111.3 | I906 L909 S914 S915 R916 R921 F922 V933 I946 | I906-L918 HydrophobicContact CD1-CD1 4.09Å; I906-L918 HydrophobicContact CD1-CD2 4.37Å; L909-L918 HydrophobicContact CD1-CD1 4.47Å; L909-L918 HydrophobicContact CD1-CD2 4.05Å; L909-L918 HydrophobicContact CD2-CD1 3.75Å; S914-L918 WeakPolarHBondContact O-CB 3.46Å; S914-L918 PolarHBondContact O-N 3.41Å; S914-L918 VanDerWaalsContact O-N 3.11Å; S915-L918 WeakPolarHBondContact O-CB 3.34Å; S915-L918 PolarHBondContact O-N 3.03Å; S915-L918 VanDerWaalsContact O-N 3.09Å; R916-L918 VanDerWaalsContact C-N 3.3Å; R916-L918 PolarHBondContact O-N 3.41Å; L918-R921 PolarHBondContact O-N 3.34Å; L918-F922 HydrophobicContact CD1-CD2 3.71Å; L918-F922 HydrophobicContact CD1-CE2 3.71Å; L918-F922 HydrophobicContact CG-CD2 4.33Å; L918-F922 WeakPolarHBondContact O-CD2 3.18Å; L918-F922 PolarHBondContact O-N 2.89Å; L918-V933 HydrophobicContact CB-CG2 4.27Å; L918-V933 HydrophobicContact CD2-CG2 3.63Å; L918-I946 HydrophobicContact CD2-CD1 4.36Å; L918-I946 HydrophobicContact CD2-CG1 4.37Å; L918-I946 HydrophobicContact CG-CD1 4.09Å |
| 919 | K | 92.8 | Very high | 90.2 | Very high | 92 Ų | 92 | 61.2 Ų | 61.2 | 40% | 0.4 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -52.8 | -61.3 | 174.9 | -173.8 | -178.6 | 176.6 | -176.4 | 0 | 109.7 | S915 R916 R921 F922 E923 I928 C931 | S915-K919 PolarHBondContact O-N 3.02Å; R916-K919 PolarHBondContact O-N 3.2Å; K919-R921 PolarHBondContact O-N 2.93Å; K919-F922 PolarHBondContact O-N 3.44Å; K919-E923 WeakPolarHBondContact O-CB 3.47Å; K919-E923 PolarHBondContact O-N 2.59Å; K919-I928 HydrophobicContact CG-CB 4.32Å; K919-I928 HydrophobicContact CG-CD1 4.07Å; K919-I928 HydrophobicContact CG-CG2 4.29Å; K919-C931 HydrophobicContact CB-CB 4.13Å |
| 920 | R | 92 | Very high | 90.2 | Very high | 187 Ų | 187 | 63.8 Ų | 63.8 | 71% | 0.706 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -53.2 | -31.5 | -176.8 | -175.9 | 176.8 | -69.7 | -163.2 | -1.2 | 114.7 | R916 | R916-R920 WeakPolarHBondContact O-CB 3.27Å; R916-R920 PolarHBondContact O-N 2.72Å |
| 921 | R | 90.2 | Very high | 90.5 | Very high | 24 Ų | 24 | 64.2 Ų | 64.2 | 9% | 0.091 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -78.4 | -40.9 | 176.1 | -72.6 | -174.4 | -165.9 | -168.2 | 24.7 | 112.8 | E917 L918 K919 V924 L964 E969 | E917-R921 WeakPolarHBondContact O-CG 3.39Å; E917-R921 PolarHBondContact O-N 3.49Å; E917-R921 IonicContact OE1-CZ 2.66Å; E917-R921 IonicContact OE1-NE 3.71Å; E917-R921 PolarHBondContact OE1-NE 3.5Å; E917-R921 IonicContact OE1-NH2 2.76Å; E917-R921 PolarHBondContact OE1-NH2 2.94Å; L918-R921 PolarHBondContact O-N 3.34Å; K919-R921 PolarHBondContact O-N 2.93Å; R921-V924 WeakPolarHBondContact O-CG2 3.43Å; R921-L964 HydrophobicContact CB-CD1 4.29Å; R921-L964 PolarHBondContact NH1-O 2.93Å; R921-L964 WeakPolarHBondContact O-CD1 3.2Å; R921-E969 IonicContact CZ-OE1 3.83Å; R921-E969 IonicContact CZ-OE2 3.19Å; R921-E969 IonicContact NH1-OE1 2.88Å; R921-E969 PolarHBondContact NH1-OE1 3.36Å; R921-E969 IonicContact NH1-OE2 2.96Å; R921-E969 PolarHBondContact NH1-OE2 3.42Å; R921-E969 IonicContact NH2-OE1 2.75Å; R921-E969 PolarHBondContact NH2-OE1 3.39Å; R921-E969 IonicContact NH2-OE2 2.8Å |
| 922 | F | 91.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -89.7 | -15.7 | -171.3 | -85.7 | -91.2 | 0 | 0 | 0 | 113.8 | I906 L918 K919 V924 F925 I928 I946 Y948 S957 L964 F972 L974 | I906-F922 HydrophobicContact CD1-CD1 4.04Å; I906-F922 HydrophobicContact CD1-CD2 4.14Å; I906-F922 HydrophobicContact CD1-CE1 3.73Å; I906-F922 HydrophobicContact CD1-CE2 3.85Å; I906-F922 HydrophobicContact CD1-CG 4.24Å; I906-F922 HydrophobicContact CD1-CZ 3.64Å; L918-F922 HydrophobicContact CD1-CD2 3.71Å; L918-F922 HydrophobicContact CD1-CE2 3.71Å; L918-F922 HydrophobicContact CG-CD2 4.33Å; L918-F922 WeakPolarHBondContact O-CD2 3.18Å; L918-F922 PolarHBondContact O-N 2.89Å; K919-F922 PolarHBondContact O-N 3.44Å; F922-V924 PolarHBondContact O-N 3.04Å; F922-F925 AromaticContact CD1-CD2 4Å; F922-F925 HydrophobicContact CD1-CD2 4Å; F922-F925 AromaticContact CD1-CE2 3.88Å; F922-F925 HydrophobicContact CD1-CE2 3.88Å; F922-F925 HydrophobicContact CE1-CE2 4.16Å; F922-F925 WeakPolarHBondContact O-CD2 3.43Å; F922-F925 PolarHBondContact O-N 2.77Å; F922-F925 VanDerWaalsContact O-N 3.09Å; F922-I928 HydrophobicContact CB-CD1 4.04Å; F922-I946 HydrophobicContact CB-CD1 3.34Å; F922-I946 HydrophobicContact CD1-CD1 3.95Å; F922-I946 HydrophobicContact CD2-CD1 4Å; F922-I946 HydrophobicContact CG-CD1 3.48Å; F922-I946 VanDerWaalsContact CG-CD1 3.48Å; F922-Y948 WeakPolarHBondContact CB-OH 3.38Å; F922-Y948 PolarHBondContact O-OH 3.41Å; F922-S957 WeakPolarHBondContact CD1-OG 3.37Å; F922-L964 HydrophobicContact CD1-CD1 4Å; F922-L964 HydrophobicContact CD2-CD1 3.95Å; F922-L964 HydrophobicContact CE1-CD1 4.05Å; F922-L964 HydrophobicContact CE2-CD1 3.98Å; F922-L964 HydrophobicContact CG-CD1 3.96Å; F922-L964 HydrophobicContact CZ-CD1 4.02Å; F922-F972 HydrophobicContact CE2-CD2 4.27Å; F922-F972 HydrophobicContact CE2-CE2 4.2Å; F922-F972 HydrophobicContact CZ-CD2 4.02Å; F922-F972 HydrophobicContact CZ-CE2 4.38Å; F922-L974 HydrophobicContact CE1-CD1 4.18Å; F922-L974 HydrophobicContact CE1-CD2 4.05Å; F922-L974 HydrophobicContact CZ-CD2 4.09Å |
| 923 | E | 93.5 | Very high | 91.2 | Very high | 88 Ų | 88 | 58.4 Ų | 58.4 | 41% | 0.411 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | -57.2 | -24 | 168.6 | -176.1 | 162.7 | -109.1 | 0 | 0 | 112.7 | K919 F925 G926 I928 | K919-E923 WeakPolarHBondContact O-CB 3.47Å; K919-E923 PolarHBondContact O-N 2.59Å; E923-F925 PolarHBondContact O-N 2.77Å; E923-F925 VanDerWaalsContact O-N 3.08Å; E923-G926 PolarHBondContact O-N 3.44Å; E923-I928 HydrophobicContact CB-CD1 4.19Å |
| 924 | V | 92.6 | Very high | 91.2 | Very high | 107 Ų | 107 | 61 Ų | 61 | 65% | 0.648 | 30% | 0.303 | S | S | * | . | G | 310 helix | trans | -58.8 | -17.8 | 170.9 | -178.9 | 0 | 0 | 0 | 0 | 113 | R921 F922 | R921-V924 WeakPolarHBondContact O-CG2 3.43Å; F922-V924 PolarHBondContact O-N 3.04Å |
| 925 | F | 89.8 | Confident | 91 | Very high | 25 Ų | 25 | 62.4 Ų | 62.4 | 11% | 0.11 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -97 | 0.5 | 174.5 | -53.2 | -53.8 | 0 | 0 | 0 | 114.2 | F922 E923 Y948 H953 L956 S957 N960 G961 L964 | F922-F925 AromaticContact CD1-CD2 4Å; F922-F925 HydrophobicContact CD1-CD2 4Å; F922-F925 AromaticContact CD1-CE2 3.88Å; F922-F925 HydrophobicContact CD1-CE2 3.88Å; F922-F925 HydrophobicContact CE1-CE2 4.16Å; F922-F925 WeakPolarHBondContact O-CD2 3.43Å; F922-F925 PolarHBondContact O-N 2.77Å; F922-F925 VanDerWaalsContact O-N 3.09Å; E923-F925 PolarHBondContact O-N 2.77Å; E923-F925 VanDerWaalsContact O-N 3.08Å; F925-Y948 HydrophobicContact CB-CE1 4.32Å; F925-H953 WeakPolarHBondContact O-CA 3.49Å; F925-H953 WeakPolarHBondContact O-CB 3.18Å; F925-H953 PolarHBondContact O-CD2 3.39Å; F925-H953 VanDerWaalsContact O-CD2 3.3Å; F925-H953 VanDerWaalsContact O-CG 3.25Å; F925-L956 HydrophobicContact CB-CB 4.38Å; F925-L956 HydrophobicContact CD1-CB 4.43Å; F925-S957 VanDerWaalsContact CD2-CA 3.4Å; F925-N960 HydrophobicContact CD1-CB 4.41Å; F925-N960 HydrophobicContact CE1-CB 3.51Å; F925-N960 HydrophobicContact CZ-CB 3.81Å; F925-G961 VanDerWaalsContact CE2-CA 3.43Å; F925-G961 VanDerWaalsContact CZ-CA 3.48Å; F925-L964 HydrophobicContact CD2-CD1 4.3Å; F925-L964 HydrophobicContact CE2-CD1 3.31Å; F925-L964 HydrophobicContact CE2-CG 4.08Å; F925-L964 HydrophobicContact CZ-CD1 3.66Å; F925-L964 HydrophobicContact CZ-CD2 4.25Å; F925-L964 HydrophobicContact CZ-CG 3.91Å |
| 926 | G | 90.8 | Very high | 90.1 | Very high | 19 Ų | 19 | 64.6 Ų | 64.6 | 20% | 0.196 | 31% | 0.31 | C | S | . | . | S | Bend | trans | 121.5 | 174.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | E923 Y948 | E923-G926 PolarHBondContact O-N 3.44Å; G926-Y948 WeakPolarHBondContact O-CD1 3.47Å; G926-Y948 WeakPolarHBondContact O-CE1 3.3Å |
| 927 | E | 93.3 | Very high | 88.5 | Confident | 102 Ų | 102 | 61.8 Ų | 61.8 | 48% | 0.477 | 31% | 0.314 | S | S | . | . | trans | -65.5 | 133.3 | -165.3 | -156.5 | -172.6 | 141.6 | 0 | 0 | 114.3 | Y948 R949 | E927-Y948 WeakPolarHBondContact O-CA 3.48Å; E927-R949 HydrophobicContact CB-CG 4.39Å; E927-R949 VanDerWaalsContact CD-NH1 3.3Å; E927-R949 PolarHBondContact O-N 2.88Å; E927-R949 WeakPolarHBondContact OE1-CD 3.23Å; E927-R949 IonicContact OE1-CZ 3.45Å; E927-R949 IonicContact OE1-NE 2.7Å; E927-R949 IonicContact OE1-NH1 3.43Å; E927-R949 PolarHBondContact OE1-NH1 2.94Å; E927-R949 WeakPolarHBondContact OE2-CD 3.25Å; E927-R949 IonicContact OE2-CZ 3.47Å; E927-R949 IonicContact OE2-NE 3.51Å; E927-R949 IonicContact OE2-NH1 2.67Å; E927-R949 PolarHBondContact OE2-NH1 2.67Å; E927-R949 VanDerWaalsContact OE2-NH1 3.08Å | ||
| 928 | I | 93.5 | Very high | 87.1 | Confident | 12 Ų | 12 | 69.4 Ų | 69.4 | 6% | 0.062 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 123 | -175.5 | -65.3 | 173.4 | 0 | 0 | 0 | 110.4 | K919 F922 E923 E930 C931 I946 Y948 | K919-I928 HydrophobicContact CG-CB 4.32Å; K919-I928 HydrophobicContact CG-CD1 4.07Å; K919-I928 HydrophobicContact CG-CG2 4.29Å; F922-I928 HydrophobicContact CB-CD1 4.04Å; E923-I928 HydrophobicContact CB-CD1 4.19Å; I928-E930 WeakPolarHBondContact CG2-O 3.36Å; I928-C931 HydrophobicContact CG2-CB 4.09Å; I928-I946 HydrophobicContact CB-CG2 4.3Å; I928-I946 HydrophobicContact CD1-CD1 4.41Å; I928-I946 HydrophobicContact CD1-CG2 3.67Å; I928-I946 HydrophobicContact CG1-CG2 3.65Å; I928-I946 HydrophobicContact CG2-CG2 3.74Å; I928-Y948 HydrophobicContact CD1-CE1 4.19Å; I928-Y948 HydrophobicContact CG1-CD1 3.87Å; I928-Y948 HydrophobicContact CG1-CE1 3.64Å |
| 929 | V | 90.8 | Very high | 85.9 | Confident | 85 Ų | 85 | 80.2 Ų | 80.2 | 52% | 0.515 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | -32.2 | 177.8 | -174 | 0 | 0 | 0 | 0 | 112.5 | T947 R949 | V929-T947 HydrophobicContact CB-CG2 4.47Å; V929-T947 PolarHBondContact N-O 3.17Å; V929-R949 HydrophobicContact CG2-CB 4.34Å; V929-R949 HydrophobicContact CG2-CG 3.37Å |
| 930 | E | 88.6 | Confident | 84.9 | Confident | 61 Ų | 61 | 77.9 Ų | 77.9 | 29% | 0.285 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 133.7 | -172 | -167.9 | -170.6 | 177.2 | 0 | 0 | 108.9 | R894 I928 I946 T947 | R894-E930 VanDerWaalsContact CD-OE1 3.31Å; R894-E930 WeakPolarHBondContact CD-OE1 3.38Å; R894-E930 IonicContact CZ-OE1 2.67Å; R894-E930 VanDerWaalsContact CZ-OE1 3.31Å; R894-E930 IonicContact NE-OE1 2.78Å; R894-E930 PolarHBondContact NE-OE1 3.26Å; R894-E930 IonicContact NE-OE2 3.13Å; R894-E930 IonicContact NH1-OE1 3.74Å; R894-E930 PolarHBondContact NH1-OE1 2.83Å; I928-E930 WeakPolarHBondContact CG2-O 3.36Å; E930-I946 WeakPolarHBondContact O-CA 3.37Å; E930-T947 PolarHBondContact N-O 2.83Å; E930-T947 PolarHBondContact O-N 3.48Å; E930-T947 PolarHBondContact OE2-OG1 3.19Å |
| 931 | C | 91.9 | Very high | 84.3 | Confident | 25 Ų | 25 | 73.4 Ų | 73.4 | 17% | 0.169 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 85.7 | 179.4 | -171.5 | 0 | 0 | 0 | 0 | 113 | S915 K919 I928 F945 | S915-C931 WeakPolarHBondContact CB-O 3.29Å; S915-C931 PolarHBondContact O-SG 3.05Å; K919-C931 HydrophobicContact CB-CB 4.13Å; I928-C931 HydrophobicContact CG2-CB 4.09Å; C931-F945 CarbonylContact C-O 3.55Å; C931-F945 WeakPolarHBondContact CA-O 3.4Å |
| 932 | E | 90.5 | Very high | 84.3 | Confident | 60 Ų | 60 | 74.3 Ų | 74.3 | 28% | 0.28 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 132.2 | -174.4 | -174.6 | -164.7 | -176 | 0 | 0 | 111.7 | R894 L934 G944 F945 | R894-E932 IonicContact CZ-OE2 3.93Å; R894-E932 IonicContact NH1-OE2 2.78Å; R894-E932 PolarHBondContact NH1-OE2 3.04Å; R894-E932 IonicContact NH2-OE2 2.75Å; R894-E932 PolarHBondContact NH2-OE2 3.48Å; E932-L934 HydrophobicContact CG-CG 4.1Å; E932-L934 VanDerWaalsContact OE1-CD1 3.26Å; E932-L934 WeakPolarHBondContact OE1-CD1 3.41Å; E932-L934 WeakPolarHBondContact OE1-CD2 3.43Å; E932-L934 VanDerWaalsContact OE1-CG 3.3Å; E932-L934 WeakPolarHBondContact OE1-CG 3.49Å; E932-G944 CarbonylContact O-C 3.57Å; E932-G944 VanDerWaalsContact O-CA 3.29Å; E932-G944 WeakPolarHBondContact O-CA 3.41Å; E932-F945 HydrophobicContact CB-CB 4.39Å; E932-F945 PolarHBondContact N-O 3.5Å; E932-F945 PolarHBondContact O-N 3.25Å |
| 933 | V | 91.4 | Very high | 84.2 | Confident | 26 Ų | 26 | 76 Ų | 76 | 16% | 0.158 | 39% | 0.385 | C | S | . | . | trans | -118.9 | 82.7 | -179 | -179.6 | 0 | 0 | 0 | 0 | 113 | L909 L918 T935 K942 Y943 | L909-V933 HydrophobicContact CD1-CG1 3.97Å; L909-V933 HydrophobicContact CD1-CG2 4.49Å; L918-V933 HydrophobicContact CB-CG2 4.27Å; L918-V933 HydrophobicContact CD2-CG2 3.63Å; V933-T935 PolarHBondContact O-N 3.08Å; V933-K942 HydrophobicContact CG1-CB 4.32Å; V933-K942 HydrophobicContact CG1-CD 4.07Å; V933-K942 HydrophobicContact CG1-CG 4.3Å; V933-Y943 CarbonylContact C-O 3.57Å; V933-Y943 VanDerWaalsContact CA-O 3.32Å; V933-Y943 WeakPolarHBondContact CA-O 3.46Å | ||
| 934 | L | 87.9 | Confident | 84.1 | Confident | 57 Ų | 57 | 71.8 Ų | 71.8 | 30% | 0.298 | 37% | 0.366 | S | S | . | . | trans | -74 | 122.9 | -179.8 | -72.4 | 173.4 | 0 | 0 | 0 | 113.8 | E932 Y943 F945 | E932-L934 HydrophobicContact CG-CG 4.1Å; E932-L934 VanDerWaalsContact OE1-CD1 3.26Å; E932-L934 WeakPolarHBondContact OE1-CD1 3.41Å; E932-L934 WeakPolarHBondContact OE1-CD2 3.43Å; E932-L934 VanDerWaalsContact OE1-CG 3.3Å; E932-L934 WeakPolarHBondContact OE1-CG 3.49Å; L934-Y943 PolarHBondContact N-O 3.48Å; L934-Y943 PolarHBondContact O-N 2.99Å; L934-F945 HydrophobicContact CD1-CD2 4.33Å; L934-F945 HydrophobicContact CD1-CE2 3.85Å | ||
| 935 | T | 85.3 | Confident | 84.1 | Confident | 85 Ų | 85 | 67 Ų | 67 | 52% | 0.521 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 107.8 | 176.9 | -59.7 | 0 | 0 | 0 | 0 | 111.8 | V933 K942 | V933-T935 PolarHBondContact O-N 3.08Å; T935-K942 HydrophobicContact CG2-CG 4.26Å; T935-K942 WeakPolarHBondContact OG1-CE 3.31Å; T935-K942 WeakPolarHBondContact OG1-CG 3.49Å |
| 936 | R | 72.3 | Confident | 84.2 | Confident | 97 Ų | 97 | 65.8 Ų | 65.8 | 37% | 0.366 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 110.4 | -177.2 | -162.1 | -170.9 | -176.3 | 144.9 | -3.6 | 112.9 | K941 Y943 F982 | R936-K941 PolarHBondContact N-O 3.4Å; R936-Y943 HydrophobicContact CB-CD2 3.77Å; R936-Y943 HydrophobicContact CB-CE2 3.51Å; R936-Y943 HydrophobicContact CG-CE2 4.49Å; R936-F982 HydrophobicContact CB-CE1 4.49Å; R936-F982 HydrophobicContact CB-CZ 3.94Å; R936-F982 HydrophobicContact CG-CE1 4.41Å; R936-F982 HydrophobicContact CG-CZ 4.02Å; R936-F982 VanDerWaalsContact NH1-CD2 3.25Å |
| 937 | S | 57.6 | Low | 84.3 | Confident | 92 Ų | 92 | 65.2 Ų | 65.2 | 64% | 0.643 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.5 | 169.2 | 162.6 | -165.5 | 0 | 0 | 0 | 0 | 116.3 | R939 G940 | S937-R939 PolarHBondContact O-N 3.47Å; S937-G940 PolarHBondContact O-N 2.87Å |
| 938 | K | 61.1 | Low | 84.3 | Confident | 214 Ų | 214 | 60.4 Ų | 60.4 | 93% | 0.93 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | 21.6 | -173.7 | -52 | -175.2 | -178 | -175.1 | 0 | 114.9 | ||
| 939 | R | 67.3 | Low | 84.3 | Confident | 227 Ų | 227 | 66.3 Ų | 66.3 | 86% | 0.857 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.8 | 6.2 | 174 | -66.6 | -169.8 | -179.8 | -174.1 | 3 | 113 | S937 K941 | S937-R939 PolarHBondContact O-N 3.47Å; R939-K941 VanDerWaalsContact C-N 3.32Å; R939-K941 PolarHBondContact O-N 2.84Å |
| 940 | G | 70.6 | Confident | 84.2 | Confident | 42 Ų | 42 | 64.9 Ų | 64.9 | 43% | 0.433 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.4 | 28.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | S937 | S937-G940 PolarHBondContact O-N 2.87Š|
| 941 | K | 81.2 | Confident | 84.3 | Confident | 94 Ų | 94 | 64.6 Ų | 64.6 | 41% | 0.409 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 113.8 | 177.2 | -72.4 | -159.1 | 166.8 | -128.5 | 0 | 110.2 | N908 R936 R939 Y943 | N908-K941 PolarHBondContact OD1-NZ 2.88Å; R936-K941 PolarHBondContact N-O 3.4Å; R939-K941 VanDerWaalsContact C-N 3.32Å; R939-K941 PolarHBondContact O-N 2.84Å; K941-Y943 HydrophobicContact CB-CE2 3.71Å; K941-Y943 WeakPolarHBondContact O-CD2 3.11Å; K941-Y943 VanDerWaalsContact O-CE2 3.29Å; K941-Y943 WeakPolarHBondContact O-CE2 3.32Å |
| 942 | K | 88.3 | Confident | 84.3 | Confident | 43 Ų | 43 | 70.2 Ų | 70.2 | 19% | 0.187 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 150.1 | 172.6 | -81 | 178.2 | 169.8 | 175.1 | 0 | 111.9 | L909 S911 M913 V933 T935 | L909-K942 HydrophobicContact CB-CB 3.72Å; L909-K942 HydrophobicContact CD1-CB 4.27Å; L909-K942 PolarHBondContact N-O 3.49Å; L909-K942 VanDerWaalsContact N-O 3.16Å; S911-K942 WeakPolarHBondContact O-CD 3.47Å; S911-K942 WeakPolarHBondContact O-CE 3.29Å; S911-K942 PolarHBondContact O-NZ 3.35Å; M913-K942 WeakPolarHBondContact O-CD 3.48Å; M913-K942 PolarHBondContact O-NZ 2.89Å; V933-K942 HydrophobicContact CG1-CB 4.32Å; V933-K942 HydrophobicContact CG1-CD 4.07Å; V933-K942 HydrophobicContact CG1-CG 4.3Å; T935-K942 HydrophobicContact CG2-CG 4.26Å; T935-K942 WeakPolarHBondContact OG1-CE 3.31Å; T935-K942 WeakPolarHBondContact OG1-CG 3.49Å |
| 943 | Y | 89.9 | Confident | 84.5 | Confident | 35 Ų | 35 | 69.8 Ų | 69.8 | 14% | 0.137 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 144 | -179.3 | -63.6 | -97.4 | 0 | 0 | 0 | 107.3 | Y905 I906 R907 V933 L934 R936 K941 F982 | Y905-Y943 HydrophobicContact CE2-CD1 4.09Å; Y905-Y943 AromaticContact CZ-CD1 3.95Å; Y905-Y943 VanDerWaalsContact OH-CD1 3.22Å; Y905-Y943 WeakPolarHBondContact OH-CD1 3.49Å; I906-Y943 CarbonylContact O-C 3.59Å; I906-Y943 WeakPolarHBondContact O-CA 3.35Å; R907-Y943 HydrophobicContact CB-CD1 4.19Å; R907-Y943 HydrophobicContact CB-CE1 4.18Å; R907-Y943 HydrophobicContact CG-CD1 3.96Å; R907-Y943 HydrophobicContact CG-CE1 4.06Å; V933-Y943 CarbonylContact C-O 3.57Å; V933-Y943 VanDerWaalsContact CA-O 3.32Å; V933-Y943 WeakPolarHBondContact CA-O 3.46Å; L934-Y943 PolarHBondContact N-O 3.48Å; L934-Y943 PolarHBondContact O-N 2.99Å; R936-Y943 HydrophobicContact CB-CD2 3.77Å; R936-Y943 HydrophobicContact CB-CE2 3.51Å; R936-Y943 HydrophobicContact CG-CE2 4.49Å; K941-Y943 HydrophobicContact CB-CE2 3.71Å; K941-Y943 WeakPolarHBondContact O-CD2 3.11Å; K941-Y943 VanDerWaalsContact O-CE2 3.29Å; K941-Y943 WeakPolarHBondContact O-CE2 3.32Å; Y943-F982 AromaticContact CD1-CE2 3.81Å; Y943-F982 HydrophobicContact CD1-CE2 3.81Å; Y943-F982 HydrophobicContact CD1-CZ 4.12Å; Y943-F982 HydrophobicContact CD2-CE2 4.27Å; Y943-F982 AromaticContact CD2-CZ 3.8Å; Y943-F982 HydrophobicContact CD2-CZ 3.8Å; Y943-F982 AromaticContact CE1-CE2 3.98Å; Y943-F982 HydrophobicContact CE1-CE2 3.98Å; Y943-F982 HydrophobicContact CE1-CZ 4.46Å; Y943-F982 HydrophobicContact CE2-CE2 4.46Å; Y943-F982 HydrophobicContact CE2-CZ 4.2Å; Y943-F982 AromaticContact CG-CE2 3.96Å; Y943-F982 HydrophobicContact CG-CE2 3.96Å; Y943-F982 AromaticContact CG-CZ 3.77Å; Y943-F982 HydrophobicContact CG-CZ 3.77Å |
| 944 | G | 91.5 | Very high | 84.5 | Confident | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 149.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y905 I906 E932 | Y905-G944 WeakPolarHBondContact CD2-O 3.41Å; I906-G944 PolarHBondContact N-O 2.87Å; I906-G944 PolarHBondContact O-N 3.32Å; E932-G944 CarbonylContact O-C 3.57Å; E932-G944 VanDerWaalsContact O-CA 3.29Å; E932-G944 WeakPolarHBondContact O-CA 3.41Å |
| 945 | F | 92.4 | Very high | 84.6 | Confident | 5 Ų | 5 | 67.2 Ų | 67.2 | 2% | 0.022 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 132.7 | 166.1 | -64 | -95.4 | 0 | 0 | 0 | 107.8 | Y905 C931 E932 L934 L979 | Y905-F945 AromaticContact CD2-CD1 3.8Å; Y905-F945 HydrophobicContact CD2-CD1 3.8Å; Y905-F945 HydrophobicContact CD2-CD2 4.36Å; Y905-F945 AromaticContact CD2-CE1 3.31Å; Y905-F945 HydrophobicContact CD2-CE1 3.31Å; Y905-F945 AromaticContact CD2-CE2 3.9Å; Y905-F945 HydrophobicContact CD2-CE2 3.9Å; Y905-F945 HydrophobicContact CD2-CG 4.3Å; Y905-F945 AromaticContact CD2-CZ 3.36Å; Y905-F945 HydrophobicContact CD2-CZ 3.36Å; Y905-F945 AromaticContact CE2-CE1 3.88Å; Y905-F945 HydrophobicContact CE2-CE1 3.88Å; Y905-F945 AromaticContact CE2-CE2 3.87Å; Y905-F945 HydrophobicContact CE2-CE2 3.87Å; Y905-F945 AromaticContact CE2-CZ 3.42Å; Y905-F945 HydrophobicContact CE2-CZ 3.42Å; Y905-F945 VanDerWaalsContact CE2-CZ 3.42Å; Y905-F945 HydrophobicContact CG-CD1 4.37Å; Y905-F945 AromaticContact CG-CE1 3.89Å; Y905-F945 HydrophobicContact CG-CE1 3.89Å; Y905-F945 HydrophobicContact CG-CZ 4.3Å; C931-F945 CarbonylContact C-O 3.55Å; C931-F945 WeakPolarHBondContact CA-O 3.4Å; E932-F945 HydrophobicContact CB-CB 4.39Å; E932-F945 PolarHBondContact N-O 3.5Å; E932-F945 PolarHBondContact O-N 3.25Å; L934-F945 HydrophobicContact CD1-CD2 4.33Å; L934-F945 HydrophobicContact CD1-CE2 3.85Å; F945-L979 HydrophobicContact CE1-CD1 3.67Å; F945-L979 HydrophobicContact CE2-CD1 4.47Å; F945-L979 HydrophobicContact CZ-CD1 3.55Å |
| 946 | I | 93.3 | Very high | 84.8 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 122.5 | 176.7 | -56 | -171.2 | 0 | 0 | 0 | 107.9 | V903 V904 I906 L918 F922 I928 E930 Y948 | V903-I946 CarbonylContact C-O 3.5Å; V903-I946 WeakPolarHBondContact CA-O 3.23Å; V904-I946 PolarHBondContact N-O 2.94Å; V904-I946 PolarHBondContact O-N 3.4Å; I906-I946 HydrophobicContact CD1-CD1 3.49Å; I906-I946 VanDerWaalsContact CD1-CD1 3.49Å; I906-I946 HydrophobicContact CD1-CG1 3.89Å; L918-I946 HydrophobicContact CD2-CD1 4.36Å; L918-I946 HydrophobicContact CD2-CG1 4.37Å; L918-I946 HydrophobicContact CG-CD1 4.09Å; F922-I946 HydrophobicContact CB-CD1 3.34Å; F922-I946 HydrophobicContact CD1-CD1 3.95Å; F922-I946 HydrophobicContact CD2-CD1 4Å; F922-I946 HydrophobicContact CG-CD1 3.48Å; F922-I946 VanDerWaalsContact CG-CD1 3.48Å; I928-I946 HydrophobicContact CB-CG2 4.3Å; I928-I946 HydrophobicContact CD1-CD1 4.41Å; I928-I946 HydrophobicContact CD1-CG2 3.67Å; I928-I946 HydrophobicContact CG1-CG2 3.65Å; I928-I946 HydrophobicContact CG2-CG2 3.74Å; E930-I946 WeakPolarHBondContact O-CA 3.37Å; I946-Y948 HydrophobicContact CB-CE2 4.19Å; I946-Y948 HydrophobicContact CG2-CD2 3.95Å; I946-Y948 HydrophobicContact CG2-CE1 4.29Å; I946-Y948 HydrophobicContact CG2-CE2 3.55Å; I946-Y948 HydrophobicContact CG2-CG 4.48Å |
| 947 | T | 92.3 | Very high | 85.8 | Confident | 8 Ų | 8 | 62.4 Ų | 62.4 | 5% | 0.049 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 117 | 171.7 | -55.4 | 0 | 0 | 0 | 0 | 108.4 | A897 V903 V929 E930 | A897-T947 HydrophobicContact CB-CG2 3.71Å; V903-T947 HydrophobicContact CG2-CG2 3.97Å; V929-T947 HydrophobicContact CB-CG2 4.47Å; V929-T947 PolarHBondContact N-O 3.17Å; E930-T947 PolarHBondContact N-O 2.83Å; E930-T947 PolarHBondContact O-N 3.48Å; E930-T947 PolarHBondContact OE2-OG1 3.19Å |
| 948 | Y | 93.5 | Very high | 87.3 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 159.5 | 176.9 | -70.7 | -86.6 | 0 | 0 | 0 | 111.8 | R902 V904 F922 F925 G926 E927 I928 I946 C950 H953 A954 S957 | R902-Y948 PolarHBondContact O-N 2.87Å; V904-Y948 HydrophobicContact CB-CE2 4.27Å; V904-Y948 HydrophobicContact CG2-CD2 3.96Å; V904-Y948 HydrophobicContact CG2-CE2 3.65Å; F922-Y948 WeakPolarHBondContact CB-OH 3.38Å; F922-Y948 PolarHBondContact O-OH 3.41Å; F925-Y948 HydrophobicContact CB-CE1 4.32Å; G926-Y948 WeakPolarHBondContact O-CD1 3.47Å; G926-Y948 WeakPolarHBondContact O-CE1 3.3Å; E927-Y948 WeakPolarHBondContact O-CA 3.48Å; I928-Y948 HydrophobicContact CD1-CE1 4.19Å; I928-Y948 HydrophobicContact CG1-CD1 3.87Å; I928-Y948 HydrophobicContact CG1-CE1 3.64Å; I946-Y948 HydrophobicContact CB-CE2 4.19Å; I946-Y948 HydrophobicContact CG2-CD2 3.95Å; I946-Y948 HydrophobicContact CG2-CE1 4.29Å; I946-Y948 HydrophobicContact CG2-CE2 3.55Å; I946-Y948 HydrophobicContact CG2-CG 4.48Å; Y948-C950 VanDerWaalsContact C-N 3.34Å; Y948-C950 WeakPolarHBondContact CB-O 3.26Å; Y948-H953 HydrophobicContact CD1-CB 3.61Å; Y948-H953 HydrophobicContact CE1-CB 4.26Å; Y948-H953 HydrophobicContact CG-CB 3.86Å; Y948-A954 HydrophobicContact CD2-CB 3.84Å; Y948-A954 HydrophobicContact CE2-CB 4.49Å; Y948-S957 VanDerWaalsContact OH-CB 3.25Å; Y948-S957 WeakPolarHBondContact OH-CB 3.4Å; Y948-S957 PolarHBondContact OH-OG 3.17Å |
| 949 | R | 92.4 | Very high | 88.6 | Confident | 136 Ų | 136 | 59.8 Ų | 59.8 | 51% | 0.513 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -66 | -36 | 169.7 | -74.4 | -179 | 81.1 | 161.7 | -0.3 | 112.6 | R902 E927 V929 | R902-R949 WeakPolarHBondContact CD-O 3.44Å; R902-R949 PolarHBondContact NH1-O 3.43Å; E927-R949 HydrophobicContact CB-CG 4.39Å; E927-R949 VanDerWaalsContact CD-NH1 3.3Å; E927-R949 PolarHBondContact O-N 2.88Å; E927-R949 WeakPolarHBondContact OE1-CD 3.23Å; E927-R949 IonicContact OE1-CZ 3.45Å; E927-R949 IonicContact OE1-NE 2.7Å; E927-R949 IonicContact OE1-NH1 3.43Å; E927-R949 PolarHBondContact OE1-NH1 2.94Å; E927-R949 WeakPolarHBondContact OE2-CD 3.25Å; E927-R949 IonicContact OE2-CZ 3.47Å; E927-R949 IonicContact OE2-NE 3.51Å; E927-R949 IonicContact OE2-NH1 2.67Å; E927-R949 PolarHBondContact OE2-NH1 2.67Å; E927-R949 VanDerWaalsContact OE2-NH1 3.08Å; V929-R949 HydrophobicContact CG2-CB 4.34Å; V929-R949 HydrophobicContact CG2-CG 3.37Å |
| 950 | C | 88.7 | Confident | 89.6 | Confident | 55 Ų | 55 | 53 Ų | 53 | 37% | 0.372 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -118.3 | 146.9 | -177.5 | -54.8 | 0 | 0 | 0 | 0 | 111.7 | Y948 E952 H953 A954 | Y948-C950 VanDerWaalsContact C-N 3.34Å; Y948-C950 WeakPolarHBondContact CB-O 3.26Å; C950-E952 VanDerWaalsContact C-N 3.3Å; C950-E952 PolarHBondContact O-N 2.85Å; C950-H953 HydrophobicContact CB-CB 4.47Å; C950-H953 PolarHBondContact O-N 3.08Å; C950-A954 PolarHBondContact O-N 2.87Å |
| 951 | S | 91.8 | Very high | 90.2 | Very high | 56 Ų | 56 | 51 Ų | 51 | 39% | 0.392 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -67.7 | -31.5 | 175.7 | 50.2 | 0 | 0 | 0 | 0 | 112.1 | E900 A954 A955 | E900-S951 WeakPolarHBondContact O-CB 3.46Å; S951-A954 WeakPolarHBondContact O-CB 3.29Å; S951-A954 PolarHBondContact O-N 2.92Å; S951-A955 PolarHBondContact O-N 3.28Å |
| 952 | E | 91.8 | Very high | 90.3 | Very high | 143 Ų | 143 | 49.2 Ų | 49.2 | 67% | 0.668 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -63.8 | -39.9 | 175 | -60.8 | -177.4 | -176.4 | 0 | 0 | 112.4 | C950 A954 A955 L956 | C950-E952 VanDerWaalsContact C-N 3.3Å; C950-E952 PolarHBondContact O-N 2.85Å; E952-A954 VanDerWaalsContact C-N 3.31Å; E952-A954 PolarHBondContact O-N 2.85Å; E952-A955 WeakPolarHBondContact O-CB 3.32Å; E952-A955 PolarHBondContact O-N 2.98Å; E952-A955 VanDerWaalsContact O-N 3.09Å; E952-L956 WeakPolarHBondContact O-CG 3.28Å; E952-L956 PolarHBondContact O-N 3.46Å |
| 953 | H | 93.6 | Very high | 90.2 | Very high | 51 Ų | 51 | 51.3 Ų | 51.3 | 24% | 0.236 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.9 | -40.8 | 174.3 | -60.3 | 167.5 | 0 | 0 | 0 | 111.1 | F925 Y948 C950 S957 | F925-H953 WeakPolarHBondContact O-CA 3.49Å; F925-H953 WeakPolarHBondContact O-CB 3.18Å; F925-H953 PolarHBondContact O-CD2 3.39Å; F925-H953 VanDerWaalsContact O-CD2 3.3Å; F925-H953 VanDerWaalsContact O-CG 3.25Å; Y948-H953 HydrophobicContact CD1-CB 3.61Å; Y948-H953 HydrophobicContact CE1-CB 4.26Å; Y948-H953 HydrophobicContact CG-CB 3.86Å; C950-H953 HydrophobicContact CB-CB 4.47Å; C950-H953 PolarHBondContact O-N 3.08Å; H953-S957 WeakPolarHBondContact O-CB 3.42Å; H953-S957 PolarHBondContact O-N 3.31Å |
| 954 | A | 91.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.6 | -39 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | G901 V904 Y948 C950 S951 E952 S957 L958 Y976 | G901-A954 WeakPolarHBondContact O-CB 3.47Å; V904-A954 HydrophobicContact CG2-CB 3.6Å; Y948-A954 HydrophobicContact CD2-CB 3.84Å; Y948-A954 HydrophobicContact CE2-CB 4.49Å; C950-A954 PolarHBondContact O-N 2.87Å; S951-A954 WeakPolarHBondContact O-CB 3.29Å; S951-A954 PolarHBondContact O-N 2.92Å; E952-A954 VanDerWaalsContact C-N 3.31Å; E952-A954 PolarHBondContact O-N 2.85Å; A954-S957 WeakPolarHBondContact O-CB 3.47Å; A954-S957 PolarHBondContact O-N 3.4Å; A954-L958 WeakPolarHBondContact O-CD1 3.29Å; A954-L958 PolarHBondContact O-N 3.23Å; A954-Y976 HydrophobicContact CB-CE1 4.22Å |
| 955 | A | 89.1 | Confident | 89.6 | Confident | 29 Ų | 29 | 57.1 Ų | 57.1 | 24% | 0.24 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -65.5 | -46.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | S951 E952 S957 L958 R959 Y976 | S951-A955 PolarHBondContact O-N 3.28Å; E952-A955 WeakPolarHBondContact O-CB 3.32Å; E952-A955 PolarHBondContact O-N 2.98Å; E952-A955 VanDerWaalsContact O-N 3.09Å; A955-S957 VanDerWaalsContact C-N 3.29Å; A955-S957 PolarHBondContact O-N 3.24Å; A955-L958 PolarHBondContact O-N 2.93Å; A955-R959 WeakPolarHBondContact O-CG 3.48Å; A955-R959 PolarHBondContact O-N 2.82Å; A955-R959 VanDerWaalsContact O-N 3.12Å; A955-Y976 VanDerWaalsContact CA-OH 3.27Å; A955-Y976 WeakPolarHBondContact CA-OH 3.22Å; A955-Y976 WeakPolarHBondContact CB-OH 3.37Å |
| 956 | L | 91.3 | Very high | 89.2 | Confident | 80 Ų | 80 | 62.3 Ų | 62.3 | 42% | 0.419 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -59.6 | -43.1 | 173.7 | -69.2 | 172.6 | 0 | 0 | 0 | 110.6 | F925 E952 R959 N960 | F925-L956 HydrophobicContact CB-CB 4.38Å; F925-L956 HydrophobicContact CD1-CB 4.43Å; E952-L956 WeakPolarHBondContact O-CG 3.28Å; E952-L956 PolarHBondContact O-N 3.46Å; L956-R959 PolarHBondContact O-N 2.99Å; L956-N960 WeakPolarHBondContact O-CB 3.36Å; L956-N960 PolarHBondContact O-N 3.15Å |
| 957 | S | 91.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 73.9 Ų | 73.9 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -58.8 | -46.5 | 174.9 | -178.4 | 0 | 0 | 0 | 0 | 112.9 | F922 F925 Y948 H953 A954 A955 R959 G961 L974 | F922-S957 WeakPolarHBondContact CD1-OG 3.37Å; F925-S957 VanDerWaalsContact CD2-CA 3.4Å; Y948-S957 VanDerWaalsContact OH-CB 3.25Å; Y948-S957 WeakPolarHBondContact OH-CB 3.4Å; Y948-S957 PolarHBondContact OH-OG 3.17Å; H953-S957 WeakPolarHBondContact O-CB 3.42Å; H953-S957 PolarHBondContact O-N 3.31Å; A954-S957 WeakPolarHBondContact O-CB 3.47Å; A954-S957 PolarHBondContact O-N 3.4Å; A955-S957 VanDerWaalsContact C-N 3.29Å; A955-S957 PolarHBondContact O-N 3.24Å; S957-R959 PolarHBondContact O-N 3.27Å; S957-G961 VanDerWaalsContact O-CA 3.24Å; S957-G961 WeakPolarHBondContact O-CA 3.5Å; S957-G961 PolarHBondContact O-N 3.35Å; S957-L974 WeakPolarHBondContact O-CD1 3.21Å |
| 958 | L | 88.9 | Confident | 87.9 | Confident | 41 Ų | 41 | 81.6 Ų | 81.6 | 22% | 0.215 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -60.6 | -42 | 175 | -98.5 | 84.7 | 0 | 0 | 0 | 113.1 | V904 A954 A955 L974 Y976 | V904-L958 HydrophobicContact CB-CD1 4.15Å; V904-L958 HydrophobicContact CG1-CD1 3.72Å; V904-L958 HydrophobicContact CG2-CD1 3.54Å; A954-L958 WeakPolarHBondContact O-CD1 3.29Å; A954-L958 PolarHBondContact O-N 3.23Å; A955-L958 PolarHBondContact O-N 2.93Å; L958-L974 HydrophobicContact CG-CB 4.3Å; L958-Y976 HydrophobicContact CD1-CD1 3.88Å; L958-Y976 HydrophobicContact CD1-CE1 3.96Å; L958-Y976 HydrophobicContact CD1-CG 4.18Å; L958-Y976 HydrophobicContact CD2-CD1 4.33Å; L958-Y976 HydrophobicContact CD2-CD2 3.5Å; L958-Y976 VanDerWaalsContact CD2-CD2 3.5Å; L958-Y976 HydrophobicContact CD2-CE1 4.5Å; L958-Y976 HydrophobicContact CD2-CE2 3.72Å; L958-Y976 HydrophobicContact CD2-CG 3.84Å |
| 959 | R | 88.4 | Confident | 87.5 | Confident | 210 Ų | 210 | 82.9 Ų | 82.9 | 79% | 0.792 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -73.9 | -42.5 | -176.1 | -65.8 | 178.5 | 85.2 | 174.9 | 6.4 | 112.1 | A955 L956 S957 | A955-R959 WeakPolarHBondContact O-CG 3.48Å; A955-R959 PolarHBondContact O-N 2.82Å; A955-R959 VanDerWaalsContact O-N 3.12Å; L956-R959 PolarHBondContact O-N 2.99Å; S957-R959 PolarHBondContact O-N 3.27Å |
| 960 | N | 88.8 | Confident | 87 | Confident | 85 Ų | 85 | 78.4 Ų | 78.4 | 46% | 0.455 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -107.5 | -22.9 | -167.8 | -61.9 | -20.2 | 0 | 0 | 0 | 113.5 | F925 L956 A962 A963 | F925-N960 HydrophobicContact CD1-CB 4.41Å; F925-N960 HydrophobicContact CE1-CB 3.51Å; F925-N960 HydrophobicContact CZ-CB 3.81Å; L956-N960 WeakPolarHBondContact O-CB 3.36Å; L956-N960 PolarHBondContact O-N 3.15Å; N960-A962 PolarHBondContact O-N 2.82Å; N960-A962 VanDerWaalsContact O-N 3.09Å; N960-A963 VanDerWaalsContact O-CB 3.26Å; N960-A963 WeakPolarHBondContact O-CB 3.43Å; N960-A963 PolarHBondContact O-N 3.38Å |
| 961 | G | 83.6 | Confident | 86.7 | Confident | 0 Ų | 0 | 79.2 Ų | 79.2 | 0% | 0 | 40% | 0.404 | C | S | . | . | G | 310 helix | trans | -62.3 | -21.3 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | F925 S957 A963 L964 | F925-G961 VanDerWaalsContact CE2-CA 3.43Å; F925-G961 VanDerWaalsContact CZ-CA 3.48Å; S957-G961 VanDerWaalsContact O-CA 3.24Å; S957-G961 WeakPolarHBondContact O-CA 3.5Å; S957-G961 PolarHBondContact O-N 3.35Å; G961-A963 PolarHBondContact O-N 3.43Å; G961-L964 PolarHBondContact O-N 3.12Å |
| 962 | A | 84 | Confident | 86.6 | Confident | 56 Ų | 56 | 77 Ų | 77 | 46% | 0.463 | 39% | 0.387 | S | S | . | . | G | 310 helix | trans | -61.5 | -20.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | N960 | N960-A962 PolarHBondContact O-N 2.82Å; N960-A962 VanDerWaalsContact O-N 3.09Å |
| 963 | A | 84.4 | Confident | 86.4 | Confident | 87 Ų | 87 | 74.7 Ų | 74.7 | 72% | 0.719 | 38% | 0.376 | S | S | * | . | G | 310 helix | trans | -81 | -20.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114 | N960 G961 R965 | N960-A963 VanDerWaalsContact O-CB 3.26Å; N960-A963 WeakPolarHBondContact O-CB 3.43Å; N960-A963 PolarHBondContact O-N 3.38Å; G961-A963 PolarHBondContact O-N 3.43Å; A963-R965 PolarHBondContact O-N 3.02Å |
| 964 | L | 83.7 | Confident | 86.2 | Confident | 44 Ų | 44 | 73.4 Ų | 73.4 | 23% | 0.23 | 37% | 0.371 | C | S | . | . | trans | -71 | 11.1 | -177.8 | -61.6 | 177.1 | 0 | 0 | 0 | 115 | R921 F922 F925 G961 F972 | R921-L964 HydrophobicContact CB-CD1 4.29Å; R921-L964 PolarHBondContact NH1-O 2.93Å; R921-L964 WeakPolarHBondContact O-CD1 3.2Å; F922-L964 HydrophobicContact CD1-CD1 4Å; F922-L964 HydrophobicContact CD2-CD1 3.95Å; F922-L964 HydrophobicContact CE1-CD1 4.05Å; F922-L964 HydrophobicContact CE2-CD1 3.98Å; F922-L964 HydrophobicContact CG-CD1 3.96Å; F922-L964 HydrophobicContact CZ-CD1 4.02Å; F925-L964 HydrophobicContact CD2-CD1 4.3Å; F925-L964 HydrophobicContact CE2-CD1 3.31Å; F925-L964 HydrophobicContact CE2-CG 4.08Å; F925-L964 HydrophobicContact CZ-CD1 3.66Å; F925-L964 HydrophobicContact CZ-CD2 4.25Å; F925-L964 HydrophobicContact CZ-CG 3.91Å; G961-L964 PolarHBondContact O-N 3.12Å; L964-F972 HydrophobicContact CB-CE2 4.2Å | ||
| 965 | R | 85 | Confident | 85.9 | Confident | 114 Ų | 114 | 74.8 Ų | 74.8 | 43% | 0.43 | 38% | 0.381 | S | S | . | . | trans | -88.5 | 121.1 | -173 | -179.7 | -173.7 | 72 | 121.2 | -8 | 110.5 | A963 E969 P970 F972 | A963-R965 PolarHBondContact O-N 3.02Å; R965-E969 WeakPolarHBondContact CD-O 3.45Å; R965-E969 HydrophobicContact CG-CB 3.76Å; R965-E969 PolarHBondContact NH1-O 3.3Å; R965-E969 VanDerWaalsContact NH1-O 3.08Å; R965-P970 WeakPolarHBondContact CD-O 3.42Å; R965-F972 HydrophobicContact CB-CD2 4.3Å; R965-F972 HydrophobicContact CB-CE2 3.98Å; R965-F972 HydrophobicContact CB-CZ 4.33Å | ||
| 966 | K | 84.2 | Confident | 85.6 | Confident | 113 Ų | 113 | 79 Ų | 79 | 49% | 0.491 | 39% | 0.391 | S | S | . | . | trans | -66 | 149.8 | 173.7 | -63.2 | 172 | -180 | 168 | 0 | 109.1 | E917 N968 E969 | E917-K966 IonicContact OE1-NZ 2.75Å; E917-K966 PolarHBondContact OE1-NZ 2.96Å; K966-N968 PolarHBondContact O-N 2.93Å; K966-E969 HydrophobicContact CB-CG 4.11Å; K966-E969 PolarHBondContact N-OE2 2.8Å; K966-E969 WeakPolarHBondContact O-CB 3.47Å; K966-E969 PolarHBondContact O-N 3.4Å | ||
| 967 | R | 79.4 | Confident | 84.4 | Confident | 244 Ų | 244 | 76.1 Ų | 76.1 | 92% | 0.921 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | -24.5 | -169.2 | -68.3 | -178.7 | -179.8 | 134.6 | 1.6 | 115.4 | ||
| 968 | N | 79.4 | Confident | 82.6 | Confident | 169 Ų | 169 | 77.1 Ų | 77.1 | 90% | 0.904 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95 | 1 | -178.2 | -59.3 | -18.2 | 0 | 0 | 0 | 113.6 | K966 | K966-N968 PolarHBondContact O-N 2.93Š|
| 969 | E | 84.9 | Confident | 80.8 | Confident | 27 Ų | 27 | 78.2 Ų | 78.2 | 13% | 0.126 | 40% | 0.397 | C | S | . | . | S | Bend | trans | -97.6 | 151.8 | -170.8 | -70.7 | 173.6 | 165.4 | 0 | 0 | 113.9 | R921 R965 K966 | R921-E969 IonicContact CZ-OE1 3.83Å; R921-E969 IonicContact CZ-OE2 3.19Å; R921-E969 IonicContact NH1-OE1 2.88Å; R921-E969 PolarHBondContact NH1-OE1 3.36Å; R921-E969 IonicContact NH1-OE2 2.96Å; R921-E969 PolarHBondContact NH1-OE2 3.42Å; R921-E969 IonicContact NH2-OE1 2.75Å; R921-E969 PolarHBondContact NH2-OE1 3.39Å; R921-E969 IonicContact NH2-OE2 2.8Å; R965-E969 WeakPolarHBondContact CD-O 3.45Å; R965-E969 HydrophobicContact CG-CB 3.76Å; R965-E969 PolarHBondContact NH1-O 3.3Å; R965-E969 VanDerWaalsContact NH1-O 3.08Å; K966-E969 HydrophobicContact CB-CG 4.11Å; K966-E969 PolarHBondContact N-OE2 2.8Å; K966-E969 WeakPolarHBondContact O-CB 3.47Å; K966-E969 PolarHBondContact O-N 3.4Å |
| 970 | P | 81.9 | Confident | 79 | Confident | 43 Ų | 43 | 79.2 Ų | 79.2 | 28% | 0.279 | 40% | 0.401 | S | S | . | . | P | Polyproline II helix | trans | -56.5 | 148.8 | 167.3 | 25.5 | -35 | 0 | 0 | 0 | 111.7 | N908 R965 F972 | N908-P970 WeakPolarHBondContact ND2-CB 3.3Å; N908-P970 WeakPolarHBondContact O-CB 3.32Å; N908-P970 WeakPolarHBondContact O-CG 3.43Å; R965-P970 WeakPolarHBondContact CD-O 3.42Å; P970-F972 PolarHBondContact O-N 2.59Å |
| 971 | S | 83.5 | Confident | 77 | Confident | 72 Ų | 72 | 82.3 Ų | 82.3 | 50% | 0.503 | 41% | 0.412 | S | S | . | . | P | Polyproline II helix | trans | -65.6 | 118 | 171.9 | 54.5 | 0 | 0 | 0 | 0 | 110.6 | N908 | N908-S971 PolarHBondContact ND2-O 3.46Š|
| 972 | F | 88.3 | Confident | 74.8 | Confident | 10 Ų | 10 | 84.2 Ų | 84.2 | 4% | 0.044 | 42% | 0.421 | C | S | . | . | P | Polyproline II helix | trans | -55.9 | 137.2 | 165 | -51 | -35.1 | 0 | 0 | 0 | 108.6 | I906 L909 M913 F922 L964 R965 P970 L974 | I906-F972 HydrophobicContact CG2-CB 4.29Å; L909-F972 HydrophobicContact CD2-CD1 3.94Å; L909-F972 HydrophobicContact CD2-CE1 3.92Å; M913-F972 HydrophobicContact CE-CE1 3.68Å; M913-F972 HydrophobicContact CE-CZ 3.46Å; M913-F972 VanDerWaalsContact CE-CZ 3.46Å; F922-F972 HydrophobicContact CE2-CD2 4.27Å; F922-F972 HydrophobicContact CE2-CE2 4.2Å; F922-F972 HydrophobicContact CZ-CD2 4.02Å; F922-F972 HydrophobicContact CZ-CE2 4.38Å; L964-F972 HydrophobicContact CB-CE2 4.2Å; R965-F972 HydrophobicContact CB-CD2 4.3Å; R965-F972 HydrophobicContact CB-CE2 3.98Å; R965-F972 HydrophobicContact CB-CZ 4.33Å; P970-F972 PolarHBondContact O-N 2.59Å; F972-L974 HydrophobicContact CB-CD2 4.26Å |
| 973 | H | 88 | Confident | 72.5 | Confident | 93 Ų | 93 | 85.4 Ų | 85.4 | 43% | 0.431 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 108.7 | 172.2 | 172.2 | 94.2 | 0 | 0 | 0 | 107.8 | R907 | R907-H973 HydrophobicContact CB-CB 4.21Å; R907-H973 PolarHBondContact N-O 3.04Å; R907-H973 PolarHBondContact NE-CD2 3.38Å; R907-H973 PolarHBondContact NH2-CD2 2.9Å; R907-H973 PolarHBondContact NH2-NE2 3.17Å; R907-H973 PolarHBondContact O-N 3.47Å |
| 974 | L | 90.1 | Very high | 69.9 | Low | 25 Ų | 25 | 91.3 Ų | 91.3 | 13% | 0.131 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 147.3 | -172 | -52.1 | 177.2 | 0 | 0 | 0 | 110.3 | V904 Y905 I906 F922 S957 L958 F972 | V904-L974 HydrophobicContact CG1-CB 4.45Å; V904-L974 HydrophobicContact CG1-CD2 4.37Å; Y905-L974 WeakPolarHBondContact O-CA 3.25Å; I906-L974 HydrophobicContact CB-CD2 4.04Å; I906-L974 HydrophobicContact CD1-CD2 3.93Å; I906-L974 HydrophobicContact CG1-CD2 3.6Å; I906-L974 HydrophobicContact CG2-CD2 3.76Å; F922-L974 HydrophobicContact CE1-CD1 4.18Å; F922-L974 HydrophobicContact CE1-CD2 4.05Å; F922-L974 HydrophobicContact CZ-CD2 4.09Å; S957-L974 WeakPolarHBondContact O-CD1 3.21Å; L958-L974 HydrophobicContact CG-CB 4.3Å; F972-L974 HydrophobicContact CB-CD2 4.26Å |
| 975 | S | 85.3 | Confident | 67.5 | Low | 29 Ų | 29 | 92.3 Ų | 92.3 | 20% | 0.203 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.7 | 147.7 | 179.1 | 41.8 | 0 | 0 | 0 | 0 | 110 | Y905 | Y905-S975 WeakPolarHBondContact CD1-OG 3.27Å; Y905-S975 PolarHBondContact N-O 3.07Å; Y905-S975 PolarHBondContact O-N 3.49Å; Y905-S975 PolarHBondContact O-OG 3.43Å |
| 976 | Y | 83.5 | Confident | 65 | Low | 116 Ų | 116 | 97.2 Ų | 97.2 | 46% | 0.455 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 159.9 | 176.2 | -83.4 | -63.3 | 0 | 0 | 0 | 112.4 | G901 V903 A954 A955 L958 | G901-Y976 WeakPolarHBondContact O-CD1 3.36Å; G901-Y976 VanDerWaalsContact O-CE1 3.29Å; G901-Y976 WeakPolarHBondContact O-CE1 3.38Å; V903-Y976 CarbonylContact O-C 3.55Å; A954-Y976 HydrophobicContact CB-CE1 4.22Å; A955-Y976 VanDerWaalsContact CA-OH 3.27Å; A955-Y976 WeakPolarHBondContact CA-OH 3.22Å; A955-Y976 WeakPolarHBondContact CB-OH 3.37Å; L958-Y976 HydrophobicContact CD1-CD1 3.88Å; L958-Y976 HydrophobicContact CD1-CE1 3.96Å; L958-Y976 HydrophobicContact CD1-CG 4.18Å; L958-Y976 HydrophobicContact CD2-CD1 4.33Å; L958-Y976 HydrophobicContact CD2-CD2 3.5Å; L958-Y976 VanDerWaalsContact CD2-CD2 3.5Å; L958-Y976 HydrophobicContact CD2-CE1 4.5Å; L958-Y976 HydrophobicContact CD2-CE2 3.72Å; L958-Y976 HydrophobicContact CD2-CG 3.84Å |
| 977 | G | 66.3 | Low | 62.7 | Low | 20 Ų | 20 | 102.8 Ų | 102.8 | 21% | 0.206 | 48% | 0.476 | C | S | . | . | S | Bend | trans | -52.3 | 131.9 | -170.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | V903 | V903-G977 WeakPolarHBondContact O-CA 3.29Å; V903-G977 PolarHBondContact O-N 3.04Å |
| 978 | G | 53.3 | Low | 61 | Low | 22 Ų | 22 | 96.5 Ų | 96.5 | 23% | 0.227 | 47% | 0.465 | C | S | . | . | trans | 174.5 | 92.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | R980 | G978-R980 PolarHBondContact O-N 2.84Š| ||
| 979 | L | 51.4 | Low | 59.2 | Low | 64 Ų | 64 | 93.9 Ų | 93.9 | 34% | 0.335 | 45% | 0.451 | S | S | . | . | G | 310 helix | trans | -66.9 | -2.4 | 175.4 | -152.7 | 70 | 0 | 0 | 0 | 113.4 | F945 H981 F982 C983 | F945-L979 HydrophobicContact CE1-CD1 3.67Å; F945-L979 HydrophobicContact CE2-CD1 4.47Å; F945-L979 HydrophobicContact CZ-CD1 3.55Å; L979-H981 PolarHBondContact O-N 2.62Å; L979-F982 HydrophobicContact CD1-CB 3.99Å; L979-F982 HydrophobicContact CG-CB 4.38Å; L979-F982 PolarHBondContact O-N 2.78Å; L979-C983 VanDerWaalsContact CD2-SG 3.57Å; L979-C983 PolarHBondContact O-N 2.99Å |
| 980 | R | 50.2 | Low | 57.1 | Low | 230 Ų | 230 | 100.8 Ų | 100.8 | 87% | 0.868 | 48% | 0.477 | S | S | * | . | G | 310 helix | trans | -54.4 | -10.1 | 175.4 | -56.4 | -174.9 | -170.5 | -109 | 6.2 | 114.9 | G978 | G978-R980 PolarHBondContact O-N 2.84Š|
| 981 | H | 45.9 | Very low | 55.2 | Low | 150 Ų | 150 | 106.7 Ų | 106.7 | 69% | 0.694 | 51% | 0.506 | S | S | * | . | G | 310 helix | trans | -115.9 | 5.2 | 175.5 | -61.4 | -35.9 | 0 | 0 | 0 | 114.4 | L979 | L979-H981 PolarHBondContact O-N 2.62Š|
| 982 | F | 38.5 | Very low | 53 | Low | 40 Ų | 40 | 108.9 Ų | 108.9 | 18% | 0.175 | 52% | 0.521 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -127.8 | -37.7 | -176.6 | -132.1 | -100.9 | 0 | 0 | 0 | 114 | Y905 R936 Y943 L979 W984 | Y905-F982 WeakPolarHBondContact OH-CD2 3.07Å; Y905-F982 WeakPolarHBondContact OH-CE2 3.49Å; R936-F982 HydrophobicContact CB-CE1 4.49Å; R936-F982 HydrophobicContact CB-CZ 3.94Å; R936-F982 HydrophobicContact CG-CE1 4.41Å; R936-F982 HydrophobicContact CG-CZ 4.02Å; R936-F982 VanDerWaalsContact NH1-CD2 3.25Å; Y943-F982 AromaticContact CD1-CE2 3.81Å; Y943-F982 HydrophobicContact CD1-CE2 3.81Å; Y943-F982 HydrophobicContact CD1-CZ 4.12Å; Y943-F982 HydrophobicContact CD2-CE2 4.27Å; Y943-F982 AromaticContact CD2-CZ 3.8Å; Y943-F982 HydrophobicContact CD2-CZ 3.8Å; Y943-F982 AromaticContact CE1-CE2 3.98Å; Y943-F982 HydrophobicContact CE1-CE2 3.98Å; Y943-F982 HydrophobicContact CE1-CZ 4.46Å; Y943-F982 HydrophobicContact CE2-CE2 4.46Å; Y943-F982 HydrophobicContact CE2-CZ 4.2Å; Y943-F982 AromaticContact CG-CE2 3.96Å; Y943-F982 HydrophobicContact CG-CE2 3.96Å; Y943-F982 AromaticContact CG-CZ 3.77Å; Y943-F982 HydrophobicContact CG-CZ 3.77Å; L979-F982 HydrophobicContact CD1-CB 3.99Å; L979-F982 HydrophobicContact CG-CB 4.38Å; L979-F982 PolarHBondContact O-N 2.78Å; F982-W984 PolarHBondContact O-N 2.97Å; F982-W984 VanDerWaalsContact O-N 3.11Å |
| 983 | C | 35.5 | Very low | 50.6 | Low | 81 Ų | 81 | 115.4 Ų | 115.4 | 55% | 0.547 | 56% | 0.557 | S | S | . | * | S | Bend | trans | -66.8 | 107.5 | 155.8 | -78.5 | 0 | 0 | 0 | 0 | 108.2 | L979 | L979-C983 VanDerWaalsContact CD2-SG 3.57Å; L979-C983 PolarHBondContact O-N 2.99Å |
| 984 | W | 29.1 | Very low | 48 | Very low | 212 Ų | 212 | 116.3 Ų | 116.3 | 80% | 0.803 | 57% | 0.573 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 136.1 | 151.7 | -87.6 | 31.1 | 0 | 0 | 0 | 107.3 | F982 R986 | F982-W984 PolarHBondContact O-N 2.97Å; F982-W984 VanDerWaalsContact O-N 3.11Å; W984-R986 PolarHBondContact O-N 2.83Å |
| 985 | P | 33 | Very low | 45.8 | Very low | 65 Ų | 65 | 123.2 Ų | 123.2 | 42% | 0.422 | 61% | 0.605 | S | S | . | * | P | Polyproline II helix | trans | -52.2 | 135.8 | -179 | -28.9 | 35.7 | 0 | 0 | 0 | 111.6 | D989 Y990 | P985-D989 HydrophobicContact CB-CB 4.27Å; P985-Y990 HydrophobicContact CB-CD2 4.26Å; P985-Y990 HydrophobicContact CB-CE2 3.84Å; P985-Y990 HydrophobicContact CG-CE2 3.87Å |
| 986 | R | 34.3 | Very low | 43.6 | Very low | 217 Ų | 217 | 131 Ų | 131 | 82% | 0.819 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -70 | 155.5 | 151 | -69.4 | -171.4 | 178.4 | -167.9 | 1.4 | 106.6 | W984 T988 D989 | W984-R986 PolarHBondContact O-N 2.83Å; R986-T988 PolarHBondContact O-N 3.5Å; R986-D989 PolarHBondContact O-N 3.33Å |
| 987 | Y | 34.9 | Very low | 41.3 | Very low | 229 Ų | 229 | 130 Ų | 130 | 90% | 0.898 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.4 | 2.1 | -162.5 | -172.9 | -110.4 | 0 | 0 | 0 | 115.9 | ||
| 988 | T | 44.6 | Very low | 39.9 | Very low | 112 Ų | 112 | 137 Ų | 137 | 69% | 0.687 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | -27.5 | 179.4 | 41.1 | 0 | 0 | 0 | 0 | 114.4 | R986 Y990 | R986-T988 PolarHBondContact O-N 3.5Å; T988-Y990 VanDerWaalsContact C-N 3.25Å; T988-Y990 PolarHBondContact O-N 3.28Å; T988-Y990 VanDerWaalsContact O-N 3.16Å |
| 989 | D | 41.1 | Very low | 39.4 | Very low | 115 Ų | 115 | 140.8 Ų | 140.8 | 62% | 0.615 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.3 | 24.4 | -161 | -44.1 | -17.5 | 0 | 0 | 0 | 112.9 | P985 R986 | P985-D989 HydrophobicContact CB-CB 4.27Å; R986-D989 PolarHBondContact O-N 3.33Å |
| 990 | Y | 41.4 | Very low | 38.8 | Very low | 172 Ų | 172 | 143.4 Ų | 143.4 | 68% | 0.675 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.5 | -3.6 | -169 | -93.2 | -67 | 0 | 0 | 0 | 116 | P985 T988 S992 | P985-Y990 HydrophobicContact CB-CD2 4.26Å; P985-Y990 HydrophobicContact CB-CE2 3.84Å; P985-Y990 HydrophobicContact CG-CE2 3.87Å; T988-Y990 VanDerWaalsContact C-N 3.25Å; T988-Y990 PolarHBondContact O-N 3.28Å; T988-Y990 VanDerWaalsContact O-N 3.16Å; Y990-S992 VanDerWaalsContact C-N 3.26Å; Y990-S992 PolarHBondContact O-N 2.8Å |
| 991 | D | 41.5 | Very low | 38.7 | Very low | 167 Ų | 167 | 137.6 Ų | 137.6 | 89% | 0.893 | 72% | 0.722 | S | S | * | * | trans | -84.5 | 66.1 | 170.7 | -89 | -30.6 | 0 | 0 | 0 | 111.6 | ||||
| 992 | S | 37.8 | Very low | 38.7 | Very low | 117 Ų | 117 | 134.2 Ų | 134.2 | 82% | 0.818 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -159.3 | 96.2 | 161 | -79.4 | 0 | 0 | 0 | 0 | 108.4 | Y990 | Y990-S992 VanDerWaalsContact C-N 3.26Å; Y990-S992 PolarHBondContact O-N 2.8Å |
| 993 | N | 36.3 | Very low | 39.3 | Very low | 148 Ų | 148 | 139.9 Ų | 139.9 | 79% | 0.791 | 75% | 0.752 | S | S | * | * | trans | -81.6 | 118.4 | -172.8 | -171.3 | 39.8 | 0 | 0 | 0 | 111.6 | ||||
| 994 | S | 33.2 | Very low | 40.9 | Very low | 111 Ų | 111 | 138.7 Ų | 138.7 | 78% | 0.776 | 75% | 0.745 | S | S | * | * | trans | -127.1 | 124.6 | 156.6 | 65.7 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 995 | E | 45.4 | Very low | 43 | Very low | 170 Ų | 170 | 134.8 Ų | 134.8 | 79% | 0.794 | 73% | 0.734 | S | S | * | * | trans | -73.2 | -179.4 | -171.2 | -63.3 | -177.6 | 84.8 | 0 | 0 | 113.8 | ||||
| 996 | E | 37.9 | Very low | 45.1 | Very low | 192 Ų | 192 | 136.7 Ų | 136.7 | 90% | 0.897 | 73% | 0.733 | S | S | * | * | trans | 70.1 | 94.5 | 154.1 | -160.7 | 172.4 | -156.6 | 0 | 0 | 118.9 | ||||
| 997 | A | 34.7 | Very low | 47.3 | Very low | 96 Ų | 96 | 132.4 Ų | 132.4 | 79% | 0.793 | 72% | 0.723 | S | S | * | * | -175.4 | 80.4 | 124.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 998 | L | 38 | Very low | 49.4 | Very low | 167 Ų | 167 | 126 Ų | 126 | 87% | 0.874 | 72% | 0.717 | S | S | * | * | trans | -106.4 | 153 | 161.3 | -78.3 | 179.7 | 0 | 0 | 0 | 110.3 | ||||
| 999 | P | 42.5 | Very low | 51.5 | Low | 102 Ų | 102 | 124.2 Ų | 124.2 | 66% | 0.662 | 70% | 0.702 | S | S | * | * | trans | -68.8 | 153.1 | -170.6 | 28.4 | -36.1 | 0 | 0 | 0 | 112.2 | S1001 | P999-S1001 PolarHBondContact O-N 3.23Š| ||
| 1000 | P | 40 | Very low | 53.6 | Low | 119 Ų | 119 | 123.4 Ų | 123.4 | 77% | 0.773 | 70% | 0.698 | S | S | * | * | trans | -71.4 | 87.6 | -175.1 | 29.7 | -36.2 | 0 | 0 | 0 | 112.3 | ||||
| 1001 | S | 46.5 | Very low | 55.8 | Low | 107 Ų | 107 | 123 Ų | 123 | 75% | 0.748 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 141.7 | 144.4 | 48.7 | 0 | 0 | 0 | 0 | 108.6 | P999 K1003 | P999-S1001 PolarHBondContact O-N 3.23Å; S1001-K1003 PolarHBondContact O-N 3.02Å; S1001-K1003 VanDerWaalsContact O-N 3.11Å |
| 1002 | G | 46.3 | Very low | 58.3 | Low | 80 Ų | 80 | 119.3 Ų | 119.3 | 83% | 0.825 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -48.1 | 117 | -165.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | S1004 | G1002-S1004 PolarHBondContact O-N 3.04Š|
| 1003 | K | 51.3 | Low | 60.8 | Low | 158 Ų | 158 | 115.5 Ų | 115.5 | 69% | 0.687 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -48.3 | 134.2 | -178.6 | -66 | -165.2 | 171.4 | -148.6 | 0 | 110.7 | S1001 E1007 | S1001-K1003 PolarHBondContact O-N 3.02Å; S1001-K1003 VanDerWaalsContact O-N 3.11Å; K1003-E1007 WeakPolarHBondContact CA-OE2 3.22Å |
| 1004 | S | 68.6 | Low | 63.5 | Low | 57 Ų | 57 | 111.3 Ų | 111.3 | 40% | 0.399 | 63% | 0.63 | S | S | . | * | P | Polyproline II helix | trans | -64.5 | 141.1 | 176.6 | -177.8 | 0 | 0 | 0 | 0 | 109.2 | G1002 Y1006 E1007 | G1002-S1004 PolarHBondContact O-N 3.04Å; S1004-Y1006 PolarHBondContact O-N 2.65Å; S1004-Y1006 WeakPolarHBondContact OG-CD2 3.23Å; S1004-E1007 PolarHBondContact N-OE2 3.5Å; S1004-E1007 WeakPolarHBondContact O-CB 3.43Å; S1004-E1007 PolarHBondContact O-N 3.22Å |
| 1005 | K | 73.5 | Confident | 66.3 | Low | 130 Ų | 130 | 109.7 Ų | 109.7 | 57% | 0.565 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.1 | -22.1 | 177.2 | 58.6 | 154.5 | 177.1 | 152.1 | 0 | 112.9 | M1009 E1017 | K1005-M1009 VanDerWaalsContact O-CG 3.29Å; K1005-M1009 WeakPolarHBondContact O-CG 3.49Å; K1005-E1017 IonicContact NZ-OE1 2.65Å; K1005-E1017 PolarHBondContact NZ-OE1 3.22Å; K1005-E1017 IonicContact NZ-OE2 2.59Å |
| 1006 | Y | 78.1 | Confident | 68.3 | Low | 105 Ų | 105 | 106.1 Ų | 106.1 | 41% | 0.412 | 59% | 0.594 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76.6 | -20.7 | 175.5 | -61 | -69.7 | 0 | 0 | 0 | 113.4 | S1004 A1008 M1009 L1014 E1017 | S1004-Y1006 PolarHBondContact O-N 2.65Å; S1004-Y1006 WeakPolarHBondContact OG-CD2 3.23Å; Y1006-A1008 VanDerWaalsContact C-N 3.3Å; Y1006-A1008 PolarHBondContact O-N 3.17Å; Y1006-M1009 PolarHBondContact O-N 3.37Å; Y1006-L1014 HydrophobicContact CD1-CD2 3.7Å; Y1006-L1014 HydrophobicContact CG-CD2 4.25Å; Y1006-L1014 WeakPolarHBondContact O-CD2 3.38Å; Y1006-E1017 VanDerWaalsContact CE1-CD 3.43Å; Y1006-E1017 HydrophobicContact CE1-CG 4.38Å; Y1006-E1017 WeakPolarHBondContact CE1-OE1 3.16Å; Y1006-E1017 VanDerWaalsContact CZ-OE1 3.31Å; Y1006-E1017 PolarHBondContact OH-OE1 3.29Å |
| 1007 | E | 79.4 | Confident | 70.8 | Confident | 127 Ų | 127 | 99.2 Ų | 99.2 | 59% | 0.593 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.5 | -8.7 | -171.1 | -156.2 | -176.8 | 142.6 | 0 | 0 | 113.6 | K1003 S1004 | K1003-E1007 WeakPolarHBondContact CA-OE2 3.22Å; S1004-E1007 PolarHBondContact N-OE2 3.5Å; S1004-E1007 WeakPolarHBondContact O-CB 3.43Å; S1004-E1007 PolarHBondContact O-N 3.22Å |
| 1008 | A | 80.1 | Confident | 73.5 | Confident | 94 Ų | 94 | 97 Ų | 97 | 78% | 0.777 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.7 | 10 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y1006 | Y1006-A1008 VanDerWaalsContact C-N 3.3Å; Y1006-A1008 PolarHBondContact O-N 3.17Å |
| 1009 | M | 87.3 | Confident | 75.8 | Confident | 74 Ų | 74 | 94.5 Ų | 94.5 | 37% | 0.365 | 53% | 0.528 | S | S | . | . | S | Bend | trans | -98.4 | 139.6 | 179.8 | -67.2 | -77.4 | -91.3 | 0 | 0 | 109.4 | K1005 Y1006 L1014 | K1005-M1009 VanDerWaalsContact O-CG 3.29Å; K1005-M1009 WeakPolarHBondContact O-CG 3.49Å; Y1006-M1009 PolarHBondContact O-N 3.37Å; M1009-L1014 HydrophobicContact CB-CD2 3.85Å; M1009-L1014 HydrophobicContact CB-CG 3.82Å |
| 1010 | D | 85.6 | Confident | 77.7 | Confident | 99 Ų | 99 | 96.4 Ų | 96.4 | 53% | 0.529 | 53% | 0.528 | S | S | . | . | trans | -69.8 | 162 | 171.7 | 62.9 | 21.8 | 0 | 0 | 0 | 111.5 | D1012 S1013 L1014 | D1010-D1012 PolarHBondContact O-N 3.19Å; D1010-S1013 PolarHBondContact O-N 3.49Å; D1010-S1013 VanDerWaalsContact O-N 3.08Å; D1010-S1013 WeakPolarHBondContact OD1-CA 3.3Å; D1010-S1013 WeakPolarHBondContact OD1-CB 3.46Å; D1010-S1013 PolarHBondContact OD1-N 3.07Å; D1010-S1013 PolarHBondContact OD1-OG 2.79Å; D1010-L1014 WeakPolarHBondContact O-CG 3.15Å; D1010-L1014 PolarHBondContact O-N 3.14Å | ||
| 1011 | F | 88.8 | Confident | 79.7 | Confident | 162 Ų | 162 | 95 Ų | 95 | 71% | 0.711 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -53.9 | -38 | -178.4 | -178.8 | -92.9 | 0 | 0 | 0 | 112.4 | L1014 L1015 | F1011-L1014 PolarHBondContact O-N 2.95Å; F1011-L1015 HydrophobicContact CE1-CD2 4.31Å; F1011-L1015 VanDerWaalsContact O-CB 3.27Å; F1011-L1015 WeakPolarHBondContact O-CB 3.36Å; F1011-L1015 PolarHBondContact O-N 3.02Å |
| 1012 | D | 92.3 | Very high | 81.1 | Confident | 90 Ų | 90 | 96.9 Ų | 96.9 | 48% | 0.481 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -68.1 | -37.6 | -179.8 | -117 | 49.5 | 0 | 0 | 0 | 112.8 | D1010 K1016 | D1010-D1012 PolarHBondContact O-N 3.19Å; D1012-K1016 WeakPolarHBondContact O-CB 3.41Å; D1012-K1016 VanDerWaalsContact O-CD 3.23Å; D1012-K1016 WeakPolarHBondContact O-CD 3.33Å; D1012-K1016 WeakPolarHBondContact O-CG 3.46Å; D1012-K1016 PolarHBondContact O-N 3.32Å; D1012-K1016 IonicContact OD2-NZ 3.98Å; D1012-K1016 PolarHBondContact OD2-NZ 3.07Å |
| 1013 | S | 91.3 | Very high | 81.7 | Confident | 37 Ų | 37 | 104.3 Ų | 104.3 | 26% | 0.259 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -79.5 | -33.7 | 176.6 | -56.8 | 0 | 0 | 0 | 0 | 111.8 | D1010 K1016 E1017 | D1010-S1013 PolarHBondContact O-N 3.49Å; D1010-S1013 VanDerWaalsContact O-N 3.08Å; D1010-S1013 WeakPolarHBondContact OD1-CA 3.3Å; D1010-S1013 WeakPolarHBondContact OD1-CB 3.46Å; D1010-S1013 PolarHBondContact OD1-N 3.07Å; D1010-S1013 PolarHBondContact OD1-OG 2.79Å; S1013-K1016 PolarHBondContact O-N 3.06Å; S1013-E1017 WeakPolarHBondContact O-CB 3.39Å; S1013-E1017 PolarHBondContact O-N 3.02Å |
| 1014 | L | 92.9 | Very high | 83.2 | Confident | 61 Ų | 61 | 101.6 Ų | 101.6 | 32% | 0.319 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.2 | -46.9 | 168.5 | -75 | 176.5 | 0 | 0 | 0 | 111.5 | Y1006 M1009 D1010 F1011 K1016 E1017 A1018 | Y1006-L1014 HydrophobicContact CD1-CD2 3.7Å; Y1006-L1014 HydrophobicContact CG-CD2 4.25Å; Y1006-L1014 WeakPolarHBondContact O-CD2 3.38Å; M1009-L1014 HydrophobicContact CB-CD2 3.85Å; M1009-L1014 HydrophobicContact CB-CG 3.82Å; D1010-L1014 WeakPolarHBondContact O-CG 3.15Å; D1010-L1014 PolarHBondContact O-N 3.14Å; F1011-L1014 PolarHBondContact O-N 2.95Å; L1014-K1016 VanDerWaalsContact C-N 3.34Å; L1014-K1016 PolarHBondContact O-N 2.95Å; L1014-E1017 PolarHBondContact O-N 2.57Å; L1014-A1018 WeakPolarHBondContact O-CB 3.37Å; L1014-A1018 PolarHBondContact O-N 3.38Å |
| 1015 | L | 91.4 | Very high | 84 | Confident | 76 Ų | 76 | 103.9 Ų | 103.9 | 40% | 0.398 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.7 | -39.9 | 177.3 | -176.5 | 59.4 | 0 | 0 | 0 | 111.5 | F1011 Q1019 | F1011-L1015 HydrophobicContact CE1-CD2 4.31Å; F1011-L1015 VanDerWaalsContact O-CB 3.27Å; F1011-L1015 WeakPolarHBondContact O-CB 3.36Å; F1011-L1015 PolarHBondContact O-N 3.02Å; L1015-Q1019 WeakPolarHBondContact O-CB 3.21Å; L1015-Q1019 WeakPolarHBondContact O-CG 3.43Å; L1015-Q1019 PolarHBondContact O-N 3.32Å |
| 1016 | K | 87.7 | Confident | 84.5 | Confident | 95 Ų | 95 | 102.5 Ų | 102.5 | 41% | 0.413 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.4 | -42.7 | 174.3 | -73.7 | 160.5 | -162.6 | 139 | 0 | 112.5 | D1012 S1013 L1014 Q1019 Q1020 | D1012-K1016 WeakPolarHBondContact O-CB 3.41Å; D1012-K1016 VanDerWaalsContact O-CD 3.23Å; D1012-K1016 WeakPolarHBondContact O-CD 3.33Å; D1012-K1016 WeakPolarHBondContact O-CG 3.46Å; D1012-K1016 PolarHBondContact O-N 3.32Å; D1012-K1016 IonicContact OD2-NZ 3.98Å; D1012-K1016 PolarHBondContact OD2-NZ 3.07Å; S1013-K1016 PolarHBondContact O-N 3.06Å; L1014-K1016 VanDerWaalsContact C-N 3.34Å; L1014-K1016 PolarHBondContact O-N 2.95Å; K1016-Q1019 PolarHBondContact O-N 3.29Å; K1016-Q1020 WeakPolarHBondContact O-CB 3.26Å; K1016-Q1020 WeakPolarHBondContact O-CG 3.46Å; K1016-Q1020 PolarHBondContact O-N 3.41Å |
| 1017 | E | 90.4 | Very high | 84.9 | Confident | 48 Ų | 48 | 102.4 Ų | 102.4 | 22% | 0.224 | 54% | 0.539 | C | S | . | . | H | α-helix | trans | -68.1 | -38.3 | 177.5 | -159.8 | -175.3 | 138.8 | 0 | 0 | 111.2 | K1005 Y1006 S1013 L1014 Q1020 S1021 | K1005-E1017 IonicContact NZ-OE1 2.65Å; K1005-E1017 PolarHBondContact NZ-OE1 3.22Å; K1005-E1017 IonicContact NZ-OE2 2.59Å; Y1006-E1017 VanDerWaalsContact CE1-CD 3.43Å; Y1006-E1017 HydrophobicContact CE1-CG 4.38Å; Y1006-E1017 WeakPolarHBondContact CE1-OE1 3.16Å; Y1006-E1017 VanDerWaalsContact CZ-OE1 3.31Å; Y1006-E1017 PolarHBondContact OH-OE1 3.29Å; S1013-E1017 WeakPolarHBondContact O-CB 3.39Å; S1013-E1017 PolarHBondContact O-N 3.02Å; L1014-E1017 PolarHBondContact O-N 2.57Å; E1017-Q1020 PolarHBondContact O-N 3.45Å; E1017-S1021 WeakPolarHBondContact O-CB 3.43Å; E1017-S1021 PolarHBondContact O-N 3.26Å |
| 1018 | A | 90.5 | Very high | 85.3 | Confident | 49 Ų | 49 | 100.8 Ų | 100.8 | 41% | 0.405 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.4 | -46.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L1014 Q1020 S1021 L1022 | L1014-A1018 WeakPolarHBondContact O-CB 3.37Å; L1014-A1018 PolarHBondContact O-N 3.38Å; A1018-Q1020 VanDerWaalsContact C-N 3.35Å; A1018-Q1020 PolarHBondContact O-N 3.47Å; A1018-S1021 PolarHBondContact O-N 2.61Å; A1018-S1021 PolarHBondContact O-OG 3.3Å; A1018-L1022 PolarHBondContact O-N 3.5Å |
| 1019 | Q | 87.1 | Confident | 85.6 | Confident | 114 Ų | 114 | 101.3 Ų | 101.3 | 53% | 0.533 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.3 | -36.5 | 175.5 | -73.8 | 171.1 | -0.1 | 0 | 0 | 112.7 | L1015 K1016 S1021 L1022 | L1015-Q1019 WeakPolarHBondContact O-CB 3.21Å; L1015-Q1019 WeakPolarHBondContact O-CG 3.43Å; L1015-Q1019 PolarHBondContact O-N 3.32Å; K1016-Q1019 PolarHBondContact O-N 3.29Å; Q1019-S1021 VanDerWaalsContact C-N 3.33Å; Q1019-L1022 PolarHBondContact O-N 2.92Å |
| 1020 | Q | 82.3 | Confident | 85.5 | Confident | 143 Ų | 143 | 103.2 Ų | 103.2 | 67% | 0.668 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -70.9 | -27.2 | 173.9 | -73.3 | 171.4 | 17.7 | 0 | 0 | 112.8 | K1016 E1017 A1018 L1022 | K1016-Q1020 WeakPolarHBondContact O-CB 3.26Å; K1016-Q1020 WeakPolarHBondContact O-CG 3.46Å; K1016-Q1020 PolarHBondContact O-N 3.41Å; E1017-Q1020 PolarHBondContact O-N 3.45Å; A1018-Q1020 VanDerWaalsContact C-N 3.35Å; A1018-Q1020 PolarHBondContact O-N 3.47Å; Q1020-L1022 PolarHBondContact O-N 2.71Å |
| 1021 | S | 82.1 | Confident | 85.5 | Confident | 89 Ų | 89 | 103.5 Ų | 103.5 | 62% | 0.622 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -5.1 | 176 | 75.4 | 0 | 0 | 0 | 0 | 114.6 | E1017 A1018 Q1019 | E1017-S1021 WeakPolarHBondContact O-CB 3.43Å; E1017-S1021 PolarHBondContact O-N 3.26Å; A1018-S1021 PolarHBondContact O-N 2.61Å; A1018-S1021 PolarHBondContact O-OG 3.3Å; Q1019-S1021 VanDerWaalsContact C-N 3.33Å |
| 1022 | L | 75.4 | Confident | 85.2 | Confident | 146 Ų | 146 | 98.7 Ų | 98.7 | 76% | 0.764 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96 | 4.3 | 179.2 | -114.6 | 75.7 | 0 | 0 | 0 | 114 | A1018 Q1019 Q1020 | A1018-L1022 PolarHBondContact O-N 3.5Å; Q1019-L1022 PolarHBondContact O-N 2.92Å; Q1020-L1022 PolarHBondContact O-N 2.71Å |
| 1023 | H | 58.9 | Low | 84.5 | Confident | 236 Ų | 236 | 99.5 Ų | 99.5 | 100% | 1.093 | 52% | 0.518 | S | S | * | . | trans | -134.3 | 0 | -174.5 | -80.7 | -60.8 | 0 | 0 | 0 | 113 |
Retrieved 1,023 of 1,023 residues in 198.6 ms
(Link to these results)