| 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 | 35.8 | Very low | 39.8 | Very low | 244 Ų | 244 | 138.5 Ų | 138.5 | 100% | 1.202 | 86% | 0.855 | S | S | * | * | 0 | 141.4 | 0 | -77.5 | 170.9 | 157.1 | 0 | 0 | 107.4 | |||||
| 2 | A | 38.7 | Very low | 40.6 | Very low | 93 Ų | 93 | 137.3 Ų | 137.3 | 77% | 0.769 | 85% | 0.85 | S | S | * | * | trans | 62.3 | 144.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 3 | Q | 42.2 | Very low | 40.9 | Very low | 186 Ų | 186 | 141.9 Ų | 141.9 | 87% | 0.869 | 86% | 0.856 | S | S | * | * | cis | 70.5 | 142.6 | 24.2 | -52.2 | -173.4 | 22.1 | 0 | 0 | 113.7 | ||||
| 4 | S | 41.4 | Very low | 40.8 | Very low | 120 Ų | 120 | 141.6 Ų | 141.6 | 84% | 0.839 | 86% | 0.856 | S | S | * | * | cis | -166.2 | 176 | -8.7 | 43.6 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 5 | G | 37.8 | Very low | 40.6 | Very low | 76 Ų | 76 | 138.6 Ų | 138.6 | 78% | 0.784 | 85% | 0.851 | S | S | * | * | cis | 165.9 | 159.3 | -4.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 6 | G | 35.9 | Very low | 40.6 | Very low | 80 Ų | 80 | 137.4 Ų | 137.4 | 83% | 0.825 | 84% | 0.843 | S | S | * | * | trans | 85.7 | 167.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 7 | E | 36.4 | Very low | 40.2 | Very low | 202 Ų | 202 | 137.9 Ų | 137.9 | 94% | 0.944 | 83% | 0.834 | S | S | * | * | cis | -151.1 | -167 | -15.6 | -166.3 | 144.9 | 111.5 | 0 | 0 | 109 | ||||
| 8 | A | 38.3 | Very low | 40.3 | Very low | 84 Ų | 84 | 138.7 Ų | 138.7 | 69% | 0.694 | 83% | 0.831 | S | S | * | * | trans | -135.2 | 169.7 | -157.8 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 9 | R | 42.7 | Very low | 40.2 | Very low | 238 Ų | 238 | 142.2 Ų | 142.2 | 90% | 0.898 | 83% | 0.828 | S | S | * | * | trans | 78.3 | 165.2 | 164.4 | -64.1 | -176.5 | 167.8 | -160.4 | -3.4 | 117.3 | ||||
| 10 | P | 52.8 | Low | 40.1 | Very low | 127 Ų | 127 | 141.1 Ų | 141.1 | 83% | 0.825 | 82% | 0.823 | S | S | * | * | cis | -142.7 | 175.6 | -49.2 | 41.2 | -26 | 0 | 0 | 0 | 115.4 | ||||
| 11 | G | 35.4 | Very low | 39.8 | Very low | 73 Ų | 73 | 139.2 Ų | 139.2 | 75% | 0.753 | 82% | 0.824 | S | S | * | * | trans | 113.7 | 175.4 | 143.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 12 | P | 50.2 | Low | 39.9 | Very low | 124 Ų | 124 | 135.1 Ų | 135.1 | 81% | 0.805 | 81% | 0.805 | S | S | * | * | cis | -110.4 | 161.4 | -14.8 | 38.6 | -28.6 | 0 | 0 | 0 | 113 | ||||
| 13 | E | 43.7 | Very low | 40 | Very low | 198 Ų | 198 | 139.2 Ų | 139.2 | 93% | 0.925 | 81% | 0.809 | S | S | * | * | trans | -83 | 145.7 | 169.2 | -61.3 | 174.2 | 131.3 | 0 | 0 | 110.8 | ||||
| 14 | T | 40.6 | Very low | 39.7 | Very low | 138 Ų | 138 | 139.3 Ų | 139.3 | 85% | 0.847 | 81% | 0.809 | S | S | * | * | trans | -131.4 | 125.8 | 164.9 | 53.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 15 | A | 36.4 | Very low | 39.7 | Very low | 96 Ų | 96 | 137.9 Ų | 137.9 | 79% | 0.793 | 80% | 0.804 | S | S | * | * | trans | -90.4 | 143.9 | -167.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 16 | V | 40.9 | Very low | 40.1 | Very low | 119 Ų | 119 | 143.5 Ų | 143.5 | 72% | 0.721 | 81% | 0.81 | S | S | * | * | trans | 15.3 | 121.7 | 145.7 | -170.7 | 0 | 0 | 0 | 0 | 118.3 | I18 | V16-I18 HydrophobicContact CG1-CG1 4.16Š| ||
| 17 | Q | 34.2 | Very low | 40.2 | Very low | 147 Ų | 147 | 147 Ų | 147 | 69% | 0.687 | 81% | 0.81 | S | S | * | * | trans | -132.3 | 104.2 | 137.4 | -78.7 | -163.6 | -4.9 | 0 | 0 | 110.3 | ||||
| 18 | I | 41.4 | Very low | 40.7 | Very low | 152 Ų | 152 | 144.4 Ų | 144.4 | 78% | 0.779 | 81% | 0.807 | S | S | * | * | trans | -80.5 | 126.8 | 160.8 | -63.6 | 169.5 | 0 | 0 | 0 | 106.4 | V16 | V16-I18 HydrophobicContact CG1-CG1 4.16Š| ||
| 19 | R | 38.5 | Very low | 40.7 | Very low | 205 Ų | 205 | 147.4 Ų | 147.4 | 77% | 0.774 | 81% | 0.812 | S | S | * | * | trans | -108.8 | 115.7 | 175.5 | -65.5 | -171.2 | 178.1 | -161.5 | -0.5 | 109.4 | ||||
| 20 | V | 38.3 | Very low | 40.6 | Very low | 119 Ų | 119 | 144.7 Ų | 144.7 | 72% | 0.721 | 81% | 0.809 | S | S | * | * | trans | -80.1 | 136.4 | 171.2 | -175.6 | 0 | 0 | 0 | 0 | 107.8 | I22 | V20-I22 HydrophobicContact CG1-CD1 4.45Å; V20-I22 HydrophobicContact CG1-CG1 4.03Å | ||
| 21 | A | 34.8 | Very low | 40.1 | Very low | 103 Ų | 103 | 145.2 Ų | 145.2 | 85% | 0.851 | 81% | 0.805 | S | S | * | * | trans | -100.1 | 129.5 | 167.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 22 | I | 37.3 | Very low | 40.3 | Very low | 157 Ų | 157 | 151.1 Ų | 151.1 | 81% | 0.805 | 81% | 0.813 | S | S | * | * | trans | -123.4 | 151.3 | 173.8 | -61.8 | -179.8 | 0 | 0 | 0 | 107 | V20 | V20-I22 HydrophobicContact CG1-CD1 4.45Å; V20-I22 HydrophobicContact CG1-CG1 4.03Å | ||
| 23 | Q | 41.5 | Very low | 39.7 | Very low | 180 Ų | 180 | 151.3 Ų | 151.3 | 84% | 0.841 | 81% | 0.807 | S | S | * | * | trans | -85.8 | 137.2 | -178.2 | -68.2 | 166.8 | -93 | 0 | 0 | 112.4 | ||||
| 24 | E | 35.2 | Very low | 39.7 | Very low | 187 Ų | 187 | 150.6 Ų | 150.6 | 87% | 0.874 | 80% | 0.803 | S | S | * | * | trans | -150 | 132.2 | 143 | -97.3 | 148.9 | -174.2 | 0 | 0 | 103.6 | ||||
| 25 | A | 42.2 | Very low | 39.7 | Very low | 90 Ų | 90 | 152.5 Ų | 152.5 | 74% | 0.744 | 80% | 0.803 | S | S | * | * | cis | 79.3 | 89.7 | 45.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 26 | E | 44.6 | Very low | 39.9 | Very low | 195 Ų | 195 | 154.7 Ų | 154.7 | 91% | 0.911 | 80% | 0.797 | S | S | * | * | trans | -135.4 | 135 | 159 | -72.8 | -170.1 | 135.5 | 0 | 0 | 108 | ||||
| 27 | D | 39.9 | Very low | 39.4 | Very low | 154 Ų | 154 | 152.2 Ų | 152.2 | 82% | 0.824 | 80% | 0.795 | S | S | * | * | trans | -93.3 | 155.2 | -179 | -52.2 | -82.8 | 0 | 0 | 0 | 111.2 | ||||
| 28 | V | 46.6 | Very low | 39.4 | Very low | 146 Ų | 146 | 149.1 Ų | 149.1 | 89% | 0.885 | 80% | 0.795 | S | S | * | * | trans | -140.7 | 107.7 | 166.6 | -177.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 29 | D | 37.4 | Very low | 39 | Very low | 148 Ų | 148 | 148 Ų | 148 | 79% | 0.791 | 79% | 0.786 | S | S | * | * | trans | -93.4 | 146 | 164.1 | -78.5 | -61.5 | 0 | 0 | 0 | 110.5 | ||||
| 30 | E | 40.3 | Very low | 38.8 | Very low | 180 Ų | 180 | 145.3 Ų | 145.3 | 84% | 0.841 | 79% | 0.793 | S | S | * | * | trans | 173.4 | 120.5 | 146.4 | -96 | 169.8 | -178 | 0 | 0 | 106.1 | ||||
| 31 | L | 42.3 | Very low | 38.6 | Very low | 139 Ų | 139 | 149.6 Ų | 149.6 | 73% | 0.728 | 80% | 0.796 | S | S | * | * | 65.8 | 146.2 | 66.6 | -57.3 | 173.9 | 0 | 0 | 0 | 112.2 | D33 | L31-D33 WeakPolarHBondContact CD2-OD2 3.35Š| |||
| 32 | E | 40.3 | Very low | 38.3 | Very low | 197 Ų | 197 | 148.7 Ų | 148.7 | 92% | 0.921 | 80% | 0.797 | S | S | * | * | cis | -108.6 | -172.6 | 15.1 | -54 | 173 | 107.4 | 0 | 0 | 114.5 | ||||
| 33 | D | 38.1 | Very low | 38.2 | Very low | 127 Ų | 127 | 146.6 Ų | 146.6 | 68% | 0.679 | 80% | 0.803 | S | S | * | * | trans | -129.1 | -141.6 | -159.7 | -60.3 | -97 | 0 | 0 | 0 | 114.9 | L31 | L31-D33 WeakPolarHBondContact CD2-OD2 3.35Š| ||
| 34 | E | 42.3 | Very low | 37.6 | Very low | 183 Ų | 183 | 141.4 Ų | 141.4 | 86% | 0.855 | 80% | 0.798 | S | S | * | * | trans | 73.4 | 142.8 | 178.2 | -47.3 | -69.4 | 69.5 | 0 | 0 | 117.2 | ||||
| 35 | E | 41.4 | Very low | 37.5 | Very low | 178 Ų | 178 | 140.6 Ų | 140.6 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | cis | -144.9 | 179.7 | -0.7 | -145.9 | -165.3 | 159.6 | 0 | 0 | 106.3 | ||||
| 36 | E | 39.5 | Very low | 38 | Very low | 143 Ų | 143 | 141.6 Ų | 141.6 | 67% | 0.668 | 80% | 0.798 | S | S | * | * | cis | -159.4 | 156.9 | 5.9 | -176.1 | -85.6 | 138.1 | 0 | 0 | 105.9 | A38 | E36-A38 PolarHBondContact OE1-N 3.14Š| ||
| 37 | G | 31 | Very low | 37.6 | Very low | 66 Ų | 66 | 136.6 Ų | 136.6 | 68% | 0.68 | 79% | 0.79 | S | S | * | * | cis | 172.8 | -83.1 | -7.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 38 | A | 35.3 | Very low | 37.3 | Very low | 83 Ų | 83 | 141.1 Ų | 141.1 | 69% | 0.686 | 80% | 0.796 | S | S | * | * | trans | -81.6 | 119.1 | -167.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | E36 | E36-A38 PolarHBondContact OE1-N 3.14Š| ||
| 39 | E | 32.8 | Very low | 36.8 | Very low | 127 Ų | 127 | 145 Ų | 145 | 59% | 0.593 | 80% | 0.796 | S | S | * | * | 71.8 | 117.5 | 70 | -83.7 | -127.5 | 77.6 | 0 | 0 | 116.9 | R41 | E39-R41 IonicContact OE1-CZ 3.51Å; E39-R41 IonicContact OE1-NE 3.84Å; E39-R41 IonicContact OE1-NH1 2.69Å; E39-R41 PolarHBondContact OE1-NH1 3.46Å; E39-R41 IonicContact OE2-NH1 3.05Å; E39-R41 PolarHBondContact OE2-NH1 2.79Å | |||
| 40 | T | 34.1 | Very low | 36.6 | Very low | 149 Ų | 149 | 145.6 Ų | 145.6 | 91% | 0.914 | 80% | 0.798 | S | S | * | * | -157.8 | 145.5 | 120.1 | 4 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 41 | R | 33.8 | Very low | 36.4 | Very low | 210 Ų | 210 | 142.2 Ų | 142.2 | 79% | 0.792 | 80% | 0.795 | S | S | * | * | trans | -99 | 151.4 | -174.7 | -68 | 164 | 156.8 | 112.7 | -14.5 | 112.2 | E39 | E39-R41 IonicContact OE1-CZ 3.51Å; E39-R41 IonicContact OE1-NE 3.84Å; E39-R41 IonicContact OE1-NH1 2.69Å; E39-R41 PolarHBondContact OE1-NH1 3.46Å; E39-R41 IonicContact OE2-NH1 3.05Å; E39-R41 PolarHBondContact OE2-NH1 2.79Å | ||
| 42 | G | 29.1 | Very low | 36.6 | Very low | 84 Ų | 84 | 141.6 Ų | 141.6 | 87% | 0.866 | 80% | 0.799 | S | S | * | * | trans | -165 | 125.7 | 167.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 43 | A | 33.7 | Very low | 35.9 | Very low | 113 Ų | 113 | 135.7 Ų | 135.7 | 93% | 0.934 | 79% | 0.791 | S | S | * | * | trans | -136.8 | 155.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 44 | G | 30.3 | Very low | 35.6 | Very low | 71 Ų | 71 | 142.5 Ų | 142.5 | 73% | 0.732 | 81% | 0.807 | S | S | * | * | trans | 151.2 | 90.1 | 167 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 45 | D | 33 | Very low | 34.8 | Very low | 170 Ų | 170 | 137 Ų | 137 | 91% | 0.909 | 80% | 0.8 | S | S | * | * | trans | 49.1 | 160.5 | 145.2 | -86.6 | -42.4 | 0 | 0 | 0 | 124 | ||||
| 46 | P | 53 | Low | 34.3 | Very low | 110 Ų | 110 | 134.2 Ų | 134.2 | 71% | 0.714 | 80% | 0.8 | S | S | * | * | trans | -108.6 | 179.4 | -167.4 | 42.8 | -38 | 0 | 0 | 0 | 116.1 | ||||
| 47 | A | 35.2 | Very low | 33.8 | Very low | 90 Ų | 90 | 132 Ų | 132 | 74% | 0.744 | 81% | 0.807 | S | S | * | * | trans | 66.6 | 109.6 | 152.1 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 48 | R | 33 | Very low | 33.9 | Very low | 250 Ų | 250 | 133.4 Ų | 133.4 | 94% | 0.943 | 81% | 0.806 | S | S | * | * | trans | -136 | 135 | 142 | -67.9 | -164.9 | 176.5 | 177.5 | 1.5 | 111.7 | ||||
| 49 | Y | 35.9 | Very low | 33.7 | Very low | 227 Ų | 227 | 138.4 Ų | 138.4 | 89% | 0.89 | 82% | 0.815 | S | S | * | * | trans | -57.4 | 152.6 | 160.5 | -101.1 | -123.8 | 0 | 0 | 0 | 110.5 | ||||
| 50 | L | 34.8 | Very low | 33.7 | Very low | 161 Ų | 161 | 141.3 Ų | 141.3 | 84% | 0.843 | 83% | 0.829 | S | S | * | * | trans | -167.4 | 122 | 133.7 | -106.8 | 166.1 | 0 | 0 | 0 | 111.8 | ||||
| 51 | S | 36.2 | Very low | 33.9 | Very low | 109 Ų | 109 | 141 Ų | 141 | 76% | 0.762 | 82% | 0.817 | S | S | * | * | trans | -115.1 | 138.2 | 150.3 | -55.2 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 52 | P | 45.3 | Very low | 34.3 | Very low | 125 Ų | 125 | 136.8 Ų | 136.8 | 81% | 0.812 | 82% | 0.816 | S | S | * | * | -141.9 | 176.5 | 103 | 35.6 | -19.6 | 0 | 0 | 0 | 112 | |||||
| 53 | G | 26.8 | Very low | 34.7 | Very low | 73 Ų | 73 | 136.8 Ų | 136.8 | 75% | 0.753 | 80% | 0.803 | S | S | * | * | cis | -180 | 172.6 | -1.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 54 | W | 30.3 | Very low | 34.9 | Very low | 270 Ų | 270 | 143.6 Ų | 143.6 | 100% | 1.023 | 81% | 0.805 | S | S | * | * | trans | -47.4 | 146.9 | -171.4 | -109.5 | -74.5 | 0 | 0 | 0 | 119.9 | ||||
| 55 | G | 26.7 | Very low | 34.9 | Very low | 69 Ų | 69 | 143.9 Ų | 143.9 | 71% | 0.711 | 81% | 0.808 | S | S | * | * | trans | 134.9 | 150.3 | 141.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 56 | S | 30.6 | Very low | 35.2 | Very low | 118 Ų | 118 | 145 Ų | 145 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | cis | -169.5 | 142.4 | -20.7 | -160.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 57 | A | 28.3 | Very low | 34.3 | Very low | 98 Ų | 98 | 146 Ų | 146 | 81% | 0.81 | 82% | 0.816 | S | S | * | * | trans | 59.5 | 166.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 58 | S | 32.9 | Very low | 34.2 | Very low | 95 Ų | 95 | 145.3 Ų | 145.3 | 66% | 0.664 | 82% | 0.819 | S | S | * | * | cis | -144.8 | 133.8 | -1 | 52.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 59 | E | 31.6 | Very low | 34.5 | Very low | 188 Ų | 188 | 140.1 Ų | 140.1 | 88% | 0.879 | 82% | 0.815 | S | S | * | * | 34.4 | 120.7 | 127.2 | -53 | 178.1 | 111.4 | 0 | 0 | 121.6 | |||||
| 60 | E | 33 | Very low | 34.6 | Very low | 188 Ų | 188 | 135.9 Ų | 135.9 | 88% | 0.879 | 81% | 0.813 | S | S | * | * | -158.9 | 146.6 | 106 | 66 | 178.1 | 141.6 | 0 | 0 | 113.2 | |||||
| 61 | E | 38 | Very low | 34.9 | Very low | 143 Ų | 143 | 133.3 Ų | 133.3 | 67% | 0.668 | 82% | 0.815 | S | S | * | * | trans | -154.8 | 131 | 171.3 | -151.9 | -80.1 | 164.7 | 0 | 0 | 108 | S63 | E61-S63 PolarHBondContact OE1-OG 3.25Å; E61-S63 WeakPolarHBondContact OE2-CB 3.21Å; E61-S63 PolarHBondContact OE2-N 2.94Å; E61-S63 PolarHBondContact OE2-OG 3.07Å | ||
| 62 | P | 41.9 | Very low | 35.1 | Very low | 120 Ų | 120 | 133.9 Ų | 133.9 | 78% | 0.779 | 82% | 0.819 | S | S | * | * | trans | -130.6 | 78.7 | 169 | 37.2 | -23.6 | 0 | 0 | 0 | 114 | R64 | P62-R64 PolarHBondContact O-N 2.85Š| ||
| 63 | S | 38.2 | Very low | 34.8 | Very low | 85 Ų | 85 | 131.3 Ų | 131.3 | 59% | 0.594 | 82% | 0.815 | S | S | * | * | trans | -65.4 | 109.6 | 163.2 | -80.9 | 0 | 0 | 0 | 0 | 113 | E61 | E61-S63 PolarHBondContact OE1-OG 3.25Å; E61-S63 WeakPolarHBondContact OE2-CB 3.21Å; E61-S63 PolarHBondContact OE2-N 2.94Å; E61-S63 PolarHBondContact OE2-OG 3.07Å | ||
| 64 | R | 37.6 | Very low | 35.2 | Very low | 255 Ų | 255 | 131.4 Ų | 131.4 | 96% | 0.962 | 82% | 0.816 | S | S | * | * | trans | -179 | 140.9 | 149.1 | -105.3 | 158.6 | -173.3 | -163.1 | 2.9 | 114.7 | P62 | P62-R64 PolarHBondContact O-N 2.85Š| ||
| 65 | G | 29.5 | Very low | 36 | Very low | 77 Ų | 77 | 127.5 Ų | 127.5 | 79% | 0.794 | 81% | 0.809 | S | S | * | * | trans | 156 | 105.6 | 161.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 66 | H | 40.2 | Very low | 36.7 | Very low | 193 Ų | 193 | 131.7 Ų | 131.7 | 89% | 0.894 | 82% | 0.815 | S | S | * | * | trans | -106 | 133.1 | 160.8 | -98.9 | 52.9 | 0 | 0 | 0 | 108.4 | ||||
| 67 | S | 33.9 | Very low | 37.7 | Very low | 131 Ų | 131 | 135.5 Ų | 135.5 | 92% | 0.916 | 82% | 0.82 | S | S | * | * | trans | 159.9 | 161.4 | 137.3 | -77.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 68 | G | 33 | Very low | 38.7 | Very low | 77 Ų | 77 | 141.7 Ų | 141.7 | 79% | 0.794 | 82% | 0.822 | S | S | * | * | trans | 108.9 | 108.9 | 154.4 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 69 | T | 40.5 | Very low | 39.5 | Very low | 140 Ų | 140 | 146.7 Ų | 146.7 | 86% | 0.859 | 84% | 0.835 | S | S | * | * | trans | -99.5 | 128.9 | 156 | -169.7 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 70 | T | 37.2 | Very low | 40.2 | Very low | 138 Ų | 138 | 143.7 Ų | 143.7 | 85% | 0.847 | 83% | 0.825 | S | S | * | * | trans | -143.1 | 139.9 | 168.1 | 46.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 71 | A | 41.9 | Very low | 41 | Very low | 107 Ų | 107 | 142.7 Ų | 142.7 | 88% | 0.884 | 83% | 0.825 | S | S | * | * | trans | -111.9 | 115.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 72 | S | 38.6 | Very low | 41.6 | Very low | 121 Ų | 121 | 144.9 Ų | 144.9 | 85% | 0.846 | 84% | 0.835 | S | S | * | * | trans | -159.4 | 139.5 | 156.1 | -148.4 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 73 | G | 39.8 | Very low | 42.1 | Very low | 71 Ų | 71 | 146.5 Ų | 146.5 | 73% | 0.732 | 83% | 0.832 | S | S | * | * | cis | 91.9 | 80.9 | 23.2 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 74 | G | 36 | Very low | 43 | Very low | 75 Ų | 75 | 149.4 Ų | 149.4 | 77% | 0.773 | 84% | 0.837 | S | S | * | * | trans | 173.5 | 78.6 | -166.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 75 | E | 46.6 | Very low | 44.3 | Very low | 188 Ų | 188 | 141.5 Ų | 141.5 | 88% | 0.879 | 81% | 0.807 | S | S | * | * | trans | -40.2 | 123.9 | 177.5 | -61.4 | 158.2 | -147.7 | 0 | 0 | 114.8 | ||||
| 76 | N | 41.4 | Very low | 46.3 | Very low | 157 Ų | 157 | 145.1 Ų | 145.1 | 84% | 0.84 | 80% | 0.801 | S | S | * | * | trans | -163.5 | 43.7 | 161.4 | -106.7 | -19.9 | 0 | 0 | 0 | 113.7 | R78 | N76-R78 VanDerWaalsContact C-N 3.29Å; N76-R78 PolarHBondContact O-N 2.75Å; N76-R78 VanDerWaalsContact O-N 3.13Å | ||
| 77 | E | 50.7 | Low | 47.7 | Very low | 198 Ų | 198 | 140.4 Ų | 140.4 | 93% | 0.925 | 79% | 0.787 | S | S | * | * | trans | -85.4 | 39.3 | -175.9 | -58.8 | -174.9 | 114.9 | 0 | 0 | 114.3 | ||||
| 78 | R | 49.9 | Very low | 49.8 | Very low | 229 Ų | 229 | 135.2 Ų | 135.2 | 86% | 0.864 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -136.8 | 17.7 | -168.1 | -61.1 | -170.4 | -167.9 | -119.6 | 1 | 117.3 | N76 | N76-R78 VanDerWaalsContact C-N 3.29Å; N76-R78 PolarHBondContact O-N 2.75Å; N76-R78 VanDerWaalsContact O-N 3.13Å |
| 79 | E | 49.3 | Very low | 52.2 | Low | 199 Ų | 199 | 136.9 Ų | 136.9 | 93% | 0.93 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -142.5 | 43.4 | 178.9 | -123.5 | 161.7 | -120.6 | 0 | 0 | 113.8 | ||
| 80 | D | 47.1 | Very low | 54.3 | Low | 126 Ų | 126 | 136.6 Ų | 136.6 | 67% | 0.674 | 73% | 0.73 | S | S | * | * | trans | -133.2 | 48.5 | 172.8 | -170.5 | 29.5 | 0 | 0 | 0 | 111.7 | ||||
| 81 | L | 49.2 | Very low | 56.8 | Low | 167 Ų | 167 | 136.1 Ų | 136.1 | 87% | 0.874 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -107.1 | -11.5 | 178.9 | -77.9 | 176.8 | 0 | 0 | 0 | 114.5 | ||
| 82 | E | 52.1 | Low | 59 | Low | 188 Ų | 188 | 133.5 Ų | 133.5 | 88% | 0.879 | 69% | 0.689 | S | S | * | * | trans | -121.5 | 67.8 | 173 | -63.8 | -164.7 | 165.9 | 0 | 0 | 110.4 | E84 | E82-E84 PolarHBondContact O-N 2.96Š| ||
| 83 | Q | 52.4 | Low | 61.5 | Low | 154 Ų | 154 | 128.5 Ų | 128.5 | 72% | 0.72 | 65% | 0.653 | S | S | * | * | trans | -62.4 | 92.6 | 157.9 | -172.9 | 120.7 | 111.9 | 0 | 0 | 108.2 | W85 | Q83-W85 PolarHBondContact O-N 3.05Š| ||
| 84 | E | 56.2 | Low | 63.9 | Low | 147 Ų | 147 | 130.4 Ų | 130.4 | 69% | 0.687 | 64% | 0.641 | S | S | * | * | trans | -31.6 | 103.7 | 178.6 | -177.6 | 79 | -92.5 | 0 | 0 | 110.8 | E82 K86 | E82-E84 PolarHBondContact O-N 2.96Å; E84-K86 HydrophobicContact CB-CG 4.46Å; E84-K86 HydrophobicContact CG-CD 4.45Å; E84-K86 HydrophobicContact CG-CG 3.64Å; E84-K86 PolarHBondContact O-N 3.05Å | ||
| 85 | W | 64.8 | Low | 66.6 | Low | 88 Ų | 88 | 130.9 Ų | 130.9 | 33% | 0.333 | 62% | 0.621 | S | S | . | * | trans | -75.4 | 84.5 | 174.3 | 177.5 | 73.4 | 0 | 0 | 0 | 107.3 | Q83 P87 R146 T147 H150 | Q83-W85 PolarHBondContact O-N 3.05Å; W85-P87 HydrophobicContact CH2-CB 4.32Å; W85-R146 HydrophobicContact CG-CB 4.5Å; W85-T147 PolarHBondContact NE1-OG1 2.69Å; W85-T147 VanDerWaalsContact NE1-OG1 3.16Å; W85-H150 HydrophobicContact CH2-CB 3.59Å; W85-H150 AromaticContact CH2-CD2 3.72Å; W85-H150 AromaticContact CH2-CE1 3.85Å; W85-H150 AromaticContact CH2-CG 3.31Å; W85-H150 AromaticContact CH2-ND1 3.4Å; W85-H150 WeakPolarHBondContact CH2-ND1 3.44Å; W85-H150 HydrophobicContact CZ2-CB 3.61Å; W85-H150 AromaticContact CZ2-CG 3.83Å | ||
| 86 | K | 72 | Confident | 68.8 | Low | 154 Ų | 154 | 122 Ų | 122 | 67% | 0.67 | 58% | 0.58 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 136.2 | 175.2 | -63.8 | -170.6 | 177.7 | -173.9 | 0 | 108.9 | E84 | E84-K86 HydrophobicContact CB-CG 4.46Å; E84-K86 HydrophobicContact CG-CD 4.45Å; E84-K86 HydrophobicContact CG-CG 3.64Å; E84-K86 PolarHBondContact O-N 3.05Å |
| 87 | P | 69.9 | Low | 71.2 | Confident | 93 Ų | 93 | 115.1 Ų | 115.1 | 60% | 0.604 | 54% | 0.544 | S | S | * | . | P | Polyproline II helix | trans | -58.5 | 132.9 | 171.6 | 25.8 | -33.1 | 0 | 0 | 0 | 108.6 | W85 | W85-P87 HydrophobicContact CH2-CB 4.32Š|
| 88 | P | 76.4 | Confident | 73.2 | Confident | 22 Ų | 22 | 109.8 Ų | 109.8 | 14% | 0.143 | 52% | 0.522 | C | S | . | . | P | Polyproline II helix | trans | -67 | 157 | 179 | 30.7 | -38.9 | 0 | 0 | 0 | 111.3 | E90 L92 I93 T147 | P88-E90 PolarHBondContact O-N 2.97Å; P88-L92 HydrophobicContact CB-CB 4.47Å; P88-I93 HydrophobicContact CB-CG1 4.48Å; P88-I93 HydrophobicContact CG-CD1 4.02Å; P88-I93 HydrophobicContact CG-CG1 3.65Å; P88-T147 HydrophobicContact CB-CG2 3.56Å; P88-T147 HydrophobicContact CG-CG2 3.51Å |
| 89 | D | 83.8 | Confident | 75.3 | Confident | 113 Ų | 113 | 101.3 Ų | 101.3 | 60% | 0.604 | 49% | 0.492 | S | S | * | . | P | Polyproline II helix | trans | -52.9 | 139.7 | 174.4 | -47.4 | -58.6 | 0 | 0 | 0 | 111.2 | E91 L92 I93 | D89-E91 PolarHBondContact O-N 2.88Å; D89-E91 VanDerWaalsContact O-N 3.09Å; D89-L92 HydrophobicContact CB-CD1 4.29Å; D89-L92 HydrophobicContact CB-CG 4.25Å; D89-L92 WeakPolarHBondContact O-CA 3.45Å; D89-L92 WeakPolarHBondContact O-CB 3.37Å; D89-L92 PolarHBondContact O-N 2.92Å; D89-L92 WeakPolarHBondContact OD2-CD1 3.48Å; D89-I93 PolarHBondContact O-N 3.45Å |
| 90 | E | 85.8 | Confident | 77.3 | Confident | 133 Ų | 133 | 91.9 Ų | 91.9 | 62% | 0.621 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -57.1 | -31.1 | -178.8 | -68.3 | -169.4 | -167.1 | 0 | 0 | 113.2 | P88 L92 I93 K94 | P88-E90 PolarHBondContact O-N 2.97Å; E90-L92 VanDerWaalsContact C-N 3.32Å; E90-I93 WeakPolarHBondContact O-CB 3.42Å; E90-I93 PolarHBondContact O-N 3.21Å; E90-K94 WeakPolarHBondContact O-CB 3.19Å; E90-K94 WeakPolarHBondContact O-CD 3.43Å; E90-K94 VanDerWaalsContact O-CG 3.27Å; E90-K94 WeakPolarHBondContact O-CG 3.37Å; E90-K94 PolarHBondContact O-N 2.89Å; E90-K94 IonicContact OE2-NZ 3.91Å; E90-K94 PolarHBondContact OE2-NZ 2.95Å |
| 91 | E | 88.3 | Confident | 79.5 | Confident | 128 Ų | 128 | 88.1 Ų | 88.1 | 60% | 0.598 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -61.1 | -40.1 | 172.7 | -78.9 | -162.7 | -142 | 0 | 0 | 112.7 | D89 K95 | D89-E91 PolarHBondContact O-N 2.88Å; D89-E91 VanDerWaalsContact O-N 3.09Å; E91-K95 WeakPolarHBondContact O-CB 3.23Å; E91-K95 WeakPolarHBondContact O-CD 3.45Å; E91-K95 WeakPolarHBondContact O-CG 3.42Å; E91-K95 PolarHBondContact O-N 3.44Å; E91-K95 IonicContact OE2-NZ 2.68Å; E91-K95 PolarHBondContact OE2-NZ 2.93Å |
| 92 | L | 88.7 | Confident | 81.5 | Confident | 52 Ų | 52 | 84.9 Ų | 84.9 | 27% | 0.272 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -72.4 | -36 | 177 | -63.3 | 176.4 | 0 | 0 | 0 | 110.7 | P88 D89 E90 L96 | P88-L92 HydrophobicContact CB-CB 4.47Å; D89-L92 HydrophobicContact CB-CD1 4.29Å; D89-L92 HydrophobicContact CB-CG 4.25Å; D89-L92 WeakPolarHBondContact O-CA 3.45Å; D89-L92 WeakPolarHBondContact O-CB 3.37Å; D89-L92 PolarHBondContact O-N 2.92Å; D89-L92 WeakPolarHBondContact OD2-CD1 3.48Å; E90-L92 VanDerWaalsContact C-N 3.32Å; L92-L96 VanDerWaalsContact O-CB 3.24Å; L92-L96 WeakPolarHBondContact O-CB 3.29Å; L92-L96 WeakPolarHBondContact O-CD1 3.39Å; L92-L96 WeakPolarHBondContact O-CG 3.42Å; L92-L96 PolarHBondContact O-N 3.42Å |
| 93 | I | 90.3 | Very high | 83.3 | Confident | 16 Ų | 16 | 77.1 Ų | 77.1 | 8% | 0.082 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -58 | -53.9 | 171.5 | -66.9 | 177.1 | 0 | 0 | 0 | 110.4 | P88 D89 E90 L96 V97 A151 Y154 | P88-I93 HydrophobicContact CB-CG1 4.48Å; P88-I93 HydrophobicContact CG-CD1 4.02Å; P88-I93 HydrophobicContact CG-CG1 3.65Å; D89-I93 PolarHBondContact O-N 3.45Å; E90-I93 WeakPolarHBondContact O-CB 3.42Å; E90-I93 PolarHBondContact O-N 3.21Å; I93-L96 WeakPolarHBondContact O-CB 3.2Å; I93-L96 PolarHBondContact O-N 2.89Å; I93-L96 VanDerWaalsContact O-N 3.16Å; I93-V97 WeakPolarHBondContact O-CG2 3.36Å; I93-V97 PolarHBondContact O-N 3.49Å; I93-A151 HydrophobicContact CB-CB 4.37Å; I93-A151 HydrophobicContact CG1-CB 4.38Å; I93-A151 HydrophobicContact CG2-CB 4.09Å; I93-Y154 HydrophobicContact CD1-CE2 4.19Å; I93-Y154 HydrophobicContact CG2-CD2 3.82Å; I93-Y154 HydrophobicContact CG2-CE2 4.45Å; I93-Y154 HydrophobicContact CG2-CG 4.25Å |
| 94 | K | 91.5 | Very high | 85 | Confident | 112 Ų | 112 | 69.9 Ų | 69.9 | 49% | 0.487 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -57.7 | -53.3 | -179.9 | -69.8 | 158.4 | -167.7 | 163.1 | 0 | 110.2 | E90 L96 V97 D98 | E90-K94 WeakPolarHBondContact O-CB 3.19Å; E90-K94 WeakPolarHBondContact O-CD 3.43Å; E90-K94 VanDerWaalsContact O-CG 3.27Å; E90-K94 WeakPolarHBondContact O-CG 3.37Å; E90-K94 PolarHBondContact O-N 2.89Å; E90-K94 IonicContact OE2-NZ 3.91Å; E90-K94 PolarHBondContact OE2-NZ 2.95Å; K94-L96 VanDerWaalsContact C-N 3.27Å; K94-L96 PolarHBondContact O-N 3.5Å; K94-V97 PolarHBondContact O-N 2.86Å; K94-D98 PolarHBondContact O-N 3.28Å |
| 95 | K | 92.8 | Very high | 86.5 | Confident | 84 Ų | 84 | 64.5 Ų | 64.5 | 37% | 0.365 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -57.9 | -33.6 | 176.6 | -66.9 | 161.5 | -160.9 | 170.9 | 0 | 113.4 | E91 Q99 L141 | E91-K95 WeakPolarHBondContact O-CB 3.23Å; E91-K95 WeakPolarHBondContact O-CD 3.45Å; E91-K95 WeakPolarHBondContact O-CG 3.42Å; E91-K95 PolarHBondContact O-N 3.44Å; E91-K95 IonicContact OE2-NZ 2.68Å; E91-K95 PolarHBondContact OE2-NZ 2.93Å; K95-Q99 WeakPolarHBondContact O-CG 3.29Å; K95-Q99 PolarHBondContact O-N 3.44Å; K95-L141 HydrophobicContact CB-CD1 4.09Å; K95-L141 HydrophobicContact CB-CD2 4.32Å; K95-L141 WeakPolarHBondContact O-CD1 3.39Å |
| 96 | L | 92.4 | Very high | 87.5 | Confident | 1 Ų | 1 | 63.5 Ų | 63.5 | 1% | 0.005 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -72.2 | -43.7 | 174.9 | -81 | 167 | 0 | 0 | 0 | 112.3 | L92 I93 K94 I100 V138 L141 T147 A151 | L92-L96 VanDerWaalsContact O-CB 3.24Å; L92-L96 WeakPolarHBondContact O-CB 3.29Å; L92-L96 WeakPolarHBondContact O-CD1 3.39Å; L92-L96 WeakPolarHBondContact O-CG 3.42Å; L92-L96 PolarHBondContact O-N 3.42Å; I93-L96 WeakPolarHBondContact O-CB 3.2Å; I93-L96 PolarHBondContact O-N 2.89Å; I93-L96 VanDerWaalsContact O-N 3.16Å; K94-L96 VanDerWaalsContact C-N 3.27Å; K94-L96 PolarHBondContact O-N 3.5Å; L96-I100 WeakPolarHBondContact O-CD1 3.36Å; L96-I100 VanDerWaalsContact O-CG1 3.26Å; L96-I100 WeakPolarHBondContact O-CG1 3.19Å; L96-I100 PolarHBondContact O-N 3.45Å; L96-I100 VanDerWaalsContact O-N 3.15Å; L96-V138 HydrophobicContact CD2-CG1 3.75Å; L96-L141 HydrophobicContact CD2-CB 4.07Å; L96-L141 HydrophobicContact CD2-CD1 4.06Å; L96-L141 HydrophobicContact CG-CB 4.44Å; L96-L141 HydrophobicContact CG-CD1 4.23Å; L96-T147 HydrophobicContact CD1-CG2 4.45Å; L96-A151 HydrophobicContact CB-CB 3.8Å; L96-A151 HydrophobicContact CD1-CB 3.95Å |
| 97 | V | 92.3 | Very high | 88.1 | Confident | 14 Ų | 14 | 62.3 Ų | 62.3 | 9% | 0.085 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.1 | -55 | 175 | 170.5 | 0 | 0 | 0 | 0 | 109.6 | I93 K94 Q99 I100 E101 A151 | I93-V97 WeakPolarHBondContact O-CG2 3.36Å; I93-V97 PolarHBondContact O-N 3.49Å; K94-V97 PolarHBondContact O-N 2.86Å; V97-Q99 VanDerWaalsContact C-N 3.28Å; V97-Q99 PolarHBondContact O-N 3.2Å; V97-I100 PolarHBondContact O-N 2.93Å; V97-E101 HydrophobicContact CG1-CG 4.05Å; V97-E101 PolarHBondContact O-N 3.31Å; V97-A151 HydrophobicContact CG2-CB 4.47Å; V97-A151 WeakPolarHBondContact CG2-O 3.3Å |
| 98 | D | 92.7 | Very high | 89 | Confident | 86 Ų | 86 | 59.1 Ų | 59.1 | 46% | 0.46 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -51.9 | -45.3 | -178.7 | -57.8 | -26.9 | 0 | 0 | 0 | 112.1 | K94 F102 | K94-D98 PolarHBondContact O-N 3.28Å; D98-F102 WeakPolarHBondContact O-CB 3.26Å; D98-F102 PolarHBondContact O-N 3.36Å |
| 99 | Q | 93.1 | Very high | 89.4 | Confident | 51 Ų | 51 | 58 Ų | 58 | 24% | 0.238 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -73.1 | -31.5 | -179.5 | -67.3 | -42.7 | -71.1 | 0 | 0 | 113.2 | K95 V97 Y103 K137 L141 | K95-Q99 WeakPolarHBondContact O-CG 3.29Å; K95-Q99 PolarHBondContact O-N 3.44Å; V97-Q99 VanDerWaalsContact C-N 3.28Å; V97-Q99 PolarHBondContact O-N 3.2Å; Q99-Y103 WeakPolarHBondContact O-CD2 3.33Å; Q99-Y103 PolarHBondContact O-N 3.22Å; Q99-K137 HydrophobicContact CG-CD 4.39Å; Q99-L141 HydrophobicContact CG-CD1 4.34Å |
| 100 | I | 92.1 | Very high | 89.2 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -82.5 | -38.6 | -179.7 | -62.2 | 169.1 | 0 | 0 | 0 | 110.9 | L96 V97 F102 Y103 F104 L132 V138 T148 L152 L158 | L96-I100 WeakPolarHBondContact O-CD1 3.36Å; L96-I100 VanDerWaalsContact O-CG1 3.26Å; L96-I100 WeakPolarHBondContact O-CG1 3.19Å; L96-I100 PolarHBondContact O-N 3.45Å; L96-I100 VanDerWaalsContact O-N 3.15Å; V97-I100 PolarHBondContact O-N 2.93Å; I100-F102 VanDerWaalsContact C-N 3.31Å; I100-F102 PolarHBondContact O-N 3.16Å; I100-Y103 PolarHBondContact O-N 3.21Å; I100-Y103 VanDerWaalsContact O-N 3.15Å; I100-F104 HydrophobicContact CG2-CD2 3.78Å; I100-F104 HydrophobicContact CG2-CE2 3.85Å; I100-F104 VanDerWaalsContact O-CD2 3.32Å; I100-F104 WeakPolarHBondContact O-CD2 3.43Å; I100-F104 PolarHBondContact O-N 3.02Å; I100-L132 HydrophobicContact CG2-CD1 4.05Å; I100-V138 HydrophobicContact CD1-CG1 4.43Å; I100-V138 HydrophobicContact CD1-CG2 4.38Å; I100-V138 HydrophobicContact CG1-CG2 3.95Å; I100-T148 HydrophobicContact CD1-CG2 3.37Å; I100-L152 HydrophobicContact CB-CD2 4.12Å; I100-L152 HydrophobicContact CD1-CD1 4.18Å; I100-L152 HydrophobicContact CD1-CD2 4.13Å; I100-L152 HydrophobicContact CD1-CG 4.25Å; I100-L152 HydrophobicContact CG2-CD2 3.82Å; I100-L158 HydrophobicContact CG2-CD1 3.77Å |
| 101 | E | 92 | Very high | 89 | Confident | 47 Ų | 47 | 56.4 Ų | 56.4 | 22% | 0.22 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.6 | -39.8 | 168 | -67.9 | -166.6 | 157.2 | 0 | 0 | 110.7 | V97 Y103 F104 S105 S155 V156 V157 L158 | V97-E101 HydrophobicContact CG1-CG 4.05Å; V97-E101 PolarHBondContact O-N 3.31Å; E101-Y103 PolarHBondContact O-N 3.42Å; E101-F104 CarbonylContact O-C 3.5Å; E101-F104 PolarHBondContact O-N 3.46Å; E101-S105 PolarHBondContact O-N 3.4Å; E101-S155 WeakPolarHBondContact OE1-CA 3.32Å; E101-S155 WeakPolarHBondContact OE1-CB 3.29Å; E101-V156 PolarHBondContact OE1-N 3.12Å; E101-V156 VanDerWaalsContact OE1-N 3.14Å; E101-V157 HydrophobicContact CG-CB 4.27Å; E101-V157 WeakPolarHBondContact OE1-CB 3.4Å; E101-V157 PolarHBondContact OE1-N 3.22Å; E101-L158 HydrophobicContact CG-CD1 3.83Å; E101-L158 HydrophobicContact CG-CG 4.09Å |
| 102 | F | 91.8 | Very high | 88.8 | Confident | 99 Ų | 99 | 52.3 Ų | 52.3 | 43% | 0.434 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -59.1 | -45 | 168.9 | 177.5 | -88.2 | 0 | 0 | 0 | 112.6 | D98 I100 F104 S105 N108 | D98-F102 WeakPolarHBondContact O-CB 3.26Å; D98-F102 PolarHBondContact O-N 3.36Å; I100-F102 VanDerWaalsContact C-N 3.31Å; I100-F102 PolarHBondContact O-N 3.16Å; F102-F104 VanDerWaalsContact C-N 3.27Å; F102-F104 PolarHBondContact O-N 3.3Å; F102-S105 VanDerWaalsContact O-CB 3.27Å; F102-S105 WeakPolarHBondContact O-CB 3.3Å; F102-S105 PolarHBondContact O-N 3.32Å; F102-S105 VanDerWaalsContact O-N 3.14Å; F102-S105 PolarHBondContact O-OG 3.11Å; F102-N108 HydrophobicContact CE1-CB 4.35Å; F102-N108 WeakPolarHBondContact O-CB 3.25Å |
| 103 | Y | 89.9 | Confident | 88.5 | Confident | 25 Ų | 25 | 53 Ų | 53 | 10% | 0.098 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.2 | -35 | 176.9 | -81.7 | -58.7 | 0 | 0 | 0 | 112.5 | Q99 I100 E101 N108 L115 F135 K137 V138 | Q99-Y103 WeakPolarHBondContact O-CD2 3.33Å; Q99-Y103 PolarHBondContact O-N 3.22Å; I100-Y103 PolarHBondContact O-N 3.21Å; I100-Y103 VanDerWaalsContact O-N 3.15Å; E101-Y103 PolarHBondContact O-N 3.42Å; Y103-N108 PolarHBondContact O-ND2 2.96Å; Y103-L115 WeakPolarHBondContact O-CD2 3.49Å; Y103-F135 HydrophobicContact CD1-CD2 4.08Å; Y103-F135 HydrophobicContact CD1-CE2 4.41Å; Y103-F135 AromaticContact CD2-CD2 3.94Å; Y103-F135 HydrophobicContact CD2-CD2 3.94Å; Y103-F135 HydrophobicContact CE1-CD2 4.11Å; Y103-F135 HydrophobicContact CE2-CB 4.12Å; Y103-F135 AromaticContact CE2-CD2 3.99Å; Y103-F135 HydrophobicContact CE2-CD2 3.99Å; Y103-F135 HydrophobicContact CG-CD2 4.01Å; Y103-F135 HydrophobicContact CG-CE2 4.38Å; Y103-K137 HydrophobicContact CE2-CB 4.18Å; Y103-K137 WeakPolarHBondContact OH-CB 3.37Å; Y103-K137 WeakPolarHBondContact OH-CG 3.48Å; Y103-K137 PolarHBondContact OH-N 2.77Å; Y103-V138 HydrophobicContact CD2-CG2 4.26Å; Y103-V138 HydrophobicContact CE2-CG2 3.89Å |
| 104 | F | 88.8 | Confident | 88.3 | Confident | 3 Ų | 3 | 57.4 Ų | 57.4 | 1% | 0.013 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -86.4 | -3.1 | 175.6 | -79.7 | -72 | 0 | 0 | 0 | 114.4 | I100 E101 F102 L109 L115 V119 V127 L132 L158 V167 R169 | I100-F104 HydrophobicContact CG2-CD2 3.78Å; I100-F104 HydrophobicContact CG2-CE2 3.85Å; I100-F104 VanDerWaalsContact O-CD2 3.32Å; I100-F104 WeakPolarHBondContact O-CD2 3.43Å; I100-F104 PolarHBondContact O-N 3.02Å; E101-F104 CarbonylContact O-C 3.5Å; E101-F104 PolarHBondContact O-N 3.46Å; F102-F104 VanDerWaalsContact C-N 3.27Å; F102-F104 PolarHBondContact O-N 3.3Å; F104-L109 HydrophobicContact CD1-CD2 4.4Å; F104-L109 WeakPolarHBondContact O-CD1 3.46Å; F104-L115 HydrophobicContact CE1-CD1 4.18Å; F104-L115 HydrophobicContact CZ-CD1 4.22Å; F104-V119 HydrophobicContact CE1-CG2 3.98Å; F104-V127 HydrophobicContact CE1-CG2 4Å; F104-V127 HydrophobicContact CZ-CB 4.02Å; F104-V127 HydrophobicContact CZ-CG2 3.93Å; F104-L132 HydrophobicContact CE2-CD1 3.83Å; F104-L132 HydrophobicContact CE2-CD2 3.91Å; F104-L132 HydrophobicContact CZ-CD1 4.29Å; F104-L132 HydrophobicContact CZ-CD2 4.2Å; F104-L158 HydrophobicContact CB-CD2 3.8Å; F104-L158 HydrophobicContact CD2-CD1 3.83Å; F104-L158 HydrophobicContact CD2-CD2 3.8Å; F104-L158 HydrophobicContact CE2-CD1 4.46Å; F104-L158 HydrophobicContact CG-CD2 3.8Å; F104-V167 HydrophobicContact CE2-CG1 3.93Å; F104-V167 HydrophobicContact CZ-CG1 4.05Å; F104-R169 HydrophobicContact CB-CG 3.98Å; F104-R169 HydrophobicContact CD1-CG 4.04Å; F104-R169 HydrophobicContact CG-CG 4.23Å; F104-R169 WeakPolarHBondContact O-CD 3.25Å; F104-R169 PolarHBondContact O-NH1 2.86Å |
| 105 | S | 88.3 | Confident | 88.1 | Confident | 34 Ų | 34 | 52 Ų | 52 | 24% | 0.238 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -57.3 | 153.5 | 174.9 | 69.2 | 0 | 0 | 0 | 0 | 111.6 | E101 F102 E107 N108 L109 | E101-S105 PolarHBondContact O-N 3.4Å; F102-S105 VanDerWaalsContact O-CB 3.27Å; F102-S105 WeakPolarHBondContact O-CB 3.3Å; F102-S105 PolarHBondContact O-N 3.32Å; F102-S105 VanDerWaalsContact O-N 3.14Å; F102-S105 PolarHBondContact O-OG 3.11Å; S105-E107 VanDerWaalsContact C-N 3.35Å; S105-E107 PolarHBondContact O-N 3.42Å; S105-N108 PolarHBondContact O-N 2.93Å; S105-N108 WeakPolarHBondContact OG-CB 2.96Å; S105-N108 PolarHBondContact OG-N 3.03Å; S105-L109 WeakPolarHBondContact O-CG 3.48Å; S105-L109 PolarHBondContact O-N 3.19Å |
| 106 | D | 84.7 | Confident | 87.7 | Confident | 66 Ų | 66 | 48.3 Ų | 48.3 | 35% | 0.353 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -62.2 | -43.3 | -178.1 | -68 | -54.7 | 0 | 0 | 0 | 112.1 | N108 L109 E110 R169 P174 F176 | D106-N108 VanDerWaalsContact C-N 3.34Å; D106-N108 PolarHBondContact O-N 2.83Å; D106-L109 PolarHBondContact O-N 3.39Å; D106-E110 WeakPolarHBondContact O-CB 3.44Å; D106-E110 PolarHBondContact O-N 2.74Å; D106-R169 IonicContact OD1-CZ 3.39Å; D106-R169 VanDerWaalsContact OD1-CZ 3.24Å; D106-R169 IonicContact OD1-NH1 2.67Å; D106-R169 PolarHBondContact OD1-NH1 3.04Å; D106-R169 IonicContact OD1-NH2 3.3Å; D106-R169 PolarHBondContact OD1-NH2 3.33Å; D106-R169 IonicContact OD2-CZ 2.71Å; D106-R169 IonicContact OD2-NH1 2.74Å; D106-R169 IonicContact OD2-NH2 2.75Å; D106-R169 PolarHBondContact OD2-NH2 2.76Å; D106-P174 WeakPolarHBondContact OD1-CD 3.27Å; D106-P174 VanDerWaalsContact OD1-CG 3.23Å; D106-P174 WeakPolarHBondContact OD1-CG 3.22Å; D106-F176 HydrophobicContact CB-CE1 4.22Å; D106-F176 HydrophobicContact CB-CZ 4.04Å; D106-F176 WeakPolarHBondContact O-CE1 3.49Å; D106-F176 VanDerWaalsContact O-CZ 3.29Å; D106-F176 WeakPolarHBondContact O-CZ 3.28Å |
| 107 | E | 85.4 | Confident | 87.4 | Confident | 129 Ų | 129 | 55.4 Ų | 55.4 | 60% | 0.603 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -56.1 | -42.2 | 172.3 | -76.8 | -162.6 | -122.1 | 0 | 0 | 113.9 | S105 K111 | S105-E107 VanDerWaalsContact C-N 3.35Å; S105-E107 PolarHBondContact O-N 3.42Å; E107-K111 WeakPolarHBondContact O-CD 3.34Å; E107-K111 VanDerWaalsContact O-CE 3.3Å; E107-K111 WeakPolarHBondContact O-CE 3.25Å; E107-K111 WeakPolarHBondContact O-CG 3.35Å; E107-K111 PolarHBondContact O-N 3.33Å; E107-K111 IonicContact OE2-NZ 2.94Å; E107-K111 PolarHBondContact OE2-NZ 3.46Å |
| 108 | N | 87.4 | Confident | 87.1 | Confident | 26 Ų | 26 | 57.1 Ų | 57.1 | 14% | 0.139 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -77.8 | -37.2 | -178.9 | -172.3 | 87 | 0 | 0 | 0 | 111.6 | F102 Y103 S105 D106 E110 K111 D112 | F102-N108 HydrophobicContact CE1-CB 4.35Å; F102-N108 WeakPolarHBondContact O-CB 3.25Å; Y103-N108 PolarHBondContact O-ND2 2.96Å; S105-N108 PolarHBondContact O-N 2.93Å; S105-N108 WeakPolarHBondContact OG-CB 2.96Å; S105-N108 PolarHBondContact OG-N 3.03Å; D106-N108 VanDerWaalsContact C-N 3.34Å; D106-N108 PolarHBondContact O-N 2.83Å; N108-E110 VanDerWaalsContact C-N 3.3Å; N108-E110 PolarHBondContact O-N 3.37Å; N108-K111 PolarHBondContact O-N 3.11Å; N108-D112 VanDerWaalsContact O-CB 3.25Å; N108-D112 WeakPolarHBondContact O-CB 3.3Å; N108-D112 PolarHBondContact O-N 3.4Å |
| 109 | L | 84.6 | Confident | 86.8 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.9 | -31 | 175.1 | -71.9 | -179.8 | 0 | 0 | 0 | 112.7 | F104 S105 D106 L115 V173 F176 | F104-L109 HydrophobicContact CD1-CD2 4.4Å; F104-L109 WeakPolarHBondContact O-CD1 3.46Å; S105-L109 WeakPolarHBondContact O-CG 3.48Å; S105-L109 PolarHBondContact O-N 3.19Å; D106-L109 PolarHBondContact O-N 3.39Å; L109-L115 HydrophobicContact CD2-CB 4.26Å; L109-L115 HydrophobicContact CD2-CD2 3.59Å; L109-L115 HydrophobicContact CD2-CG 3.6Å; L109-V173 HydrophobicContact CD1-CG1 3.87Å; L109-V173 HydrophobicContact CD1-CG2 3.89Å; L109-F176 HydrophobicContact CB-CD2 4.39Å; L109-F176 HydrophobicContact CB-CE2 3.5Å; L109-F176 HydrophobicContact CB-CZ 3.94Å; L109-F176 HydrophobicContact CD1-CE2 4.47Å |
| 110 | E | 80.6 | Confident | 86.2 | Confident | 75 Ų | 75 | 55.7 Ų | 55.7 | 35% | 0.35 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.8 | -42.5 | 171.5 | -174.4 | -176.8 | -161.6 | 0 | 0 | 111.9 | D106 N108 F176 N178 | D106-E110 WeakPolarHBondContact O-CB 3.44Å; D106-E110 PolarHBondContact O-N 2.74Å; N108-E110 VanDerWaalsContact C-N 3.3Å; N108-E110 PolarHBondContact O-N 3.37Å; E110-F176 HydrophobicContact CB-CD1 3.68Å; E110-F176 HydrophobicContact CB-CE1 3.87Å; E110-F176 HydrophobicContact CB-CG 4.18Å; E110-F176 HydrophobicContact CB-CZ 4.49Å; E110-F176 HydrophobicContact CG-CD1 3.96Å; E110-F176 HydrophobicContact CG-CG 4.43Å; E110-N178 WeakPolarHBondContact CG-ND2 3.35Å; E110-N178 PolarHBondContact OE1-ND2 2.73Å |
| 111 | K | 81.3 | Confident | 85.8 | Confident | 137 Ų | 137 | 65.1 Ų | 65.1 | 60% | 0.596 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -85.8 | -32.5 | -174 | -63.3 | 162.2 | -159.3 | 169.6 | 0 | 112.2 | E107 N108 A113 | E107-K111 WeakPolarHBondContact O-CD 3.34Å; E107-K111 VanDerWaalsContact O-CE 3.3Å; E107-K111 WeakPolarHBondContact O-CE 3.25Å; E107-K111 WeakPolarHBondContact O-CG 3.35Å; E107-K111 PolarHBondContact O-N 3.33Å; E107-K111 IonicContact OE2-NZ 2.94Å; E107-K111 PolarHBondContact OE2-NZ 3.46Å; N108-K111 PolarHBondContact O-N 3.11Å; K111-A113 PolarHBondContact O-N 3.18Å |
| 112 | D | 85.3 | Confident | 85.3 | Confident | 41 Ų | 41 | 66.6 Ų | 66.6 | 22% | 0.219 | 31% | 0.314 | C | S | . | . | trans | -96.3 | 83.4 | 180 | -171.6 | -10 | 0 | 0 | 0 | 112.4 | N108 F114 L115 L116 | N108-D112 VanDerWaalsContact O-CB 3.25Å; N108-D112 WeakPolarHBondContact O-CB 3.3Å; N108-D112 PolarHBondContact O-N 3.4Å; D112-F114 PolarHBondContact O-N 2.95Å; D112-F114 VanDerWaalsContact O-N 3.12Å; D112-F114 WeakPolarHBondContact OD1-CA 3.48Å; D112-F114 VanDerWaalsContact OD1-CB 3.26Å; D112-F114 WeakPolarHBondContact OD1-CB 3.42Å; D112-F114 PolarHBondContact OD1-N 3.39Å; D112-L115 HydrophobicContact CB-CB 4.28Å; D112-L115 PolarHBondContact O-N 3.08Å; D112-L115 PolarHBondContact OD1-N 3.39Å; D112-L115 WeakPolarHBondContact OD2-CB 3.4Å; D112-L116 WeakPolarHBondContact O-CB 3.46Å; D112-L116 PolarHBondContact O-N 2.91Å | ||
| 113 | A | 81.4 | Confident | 84.5 | Confident | 68 Ų | 68 | 72.3 Ų | 72.3 | 56% | 0.562 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -60.7 | -15.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | K111 K117 | K111-A113 PolarHBondContact O-N 3.18Å; A113-K117 WeakPolarHBondContact O-CB 3.31Å; A113-K117 PolarHBondContact O-N 2.95Å |
| 114 | F | 86.4 | Confident | 83.8 | Confident | 107 Ų | 107 | 76.4 Ų | 76.4 | 47% | 0.469 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -79 | -45.9 | 174.6 | 173.1 | -85.1 | 0 | 0 | 0 | 111.1 | D112 H118 L131 F135 | D112-F114 PolarHBondContact O-N 2.95Å; D112-F114 VanDerWaalsContact O-N 3.12Å; D112-F114 WeakPolarHBondContact OD1-CA 3.48Å; D112-F114 VanDerWaalsContact OD1-CB 3.26Å; D112-F114 WeakPolarHBondContact OD1-CB 3.42Å; D112-F114 PolarHBondContact OD1-N 3.39Å; F114-H118 AromaticContact CD1-ND1 4Å; F114-H118 AromaticContact CE1-CE1 3.75Å; F114-H118 AromaticContact CE1-ND1 3.72Å; F114-H118 AromaticContact CE2-CE1 3.53Å; F114-H118 AromaticContact CZ-CE1 3.33Å; F114-H118 WeakPolarHBondContact CZ-CE1 3.34Å; F114-H118 AromaticContact CZ-ND1 3.8Å; F114-H118 PolarHBondContact O-N 3.06Å; F114-H118 PolarHBondContact O-ND1 2.86Å; F114-L131 HydrophobicContact CE1-CD1 4.08Å; F114-L131 HydrophobicContact CE1-CD2 4.12Å; F114-L131 HydrophobicContact CE1-CG 4.44Å; F114-L131 HydrophobicContact CZ-CD1 4.06Å; F114-L131 HydrophobicContact CZ-CD2 4.45Å; F114-F135 HydrophobicContact CD1-CE1 4.45Å; F114-F135 HydrophobicContact CD1-CZ 4.47Å; F114-F135 AromaticContact CE1-CE1 3.99Å; F114-F135 HydrophobicContact CE1-CE1 3.99Å; F114-F135 HydrophobicContact CE1-CZ 4.32Å |
| 115 | L | 87.1 | Confident | 83.5 | Confident | 0 Ų | 0 | 77.1 Ų | 77.1 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -69.2 | -46.1 | 176.3 | -179.5 | 59.2 | 0 | 0 | 0 | 111.1 | Y103 F104 L109 D112 K117 H118 V119 V127 L132 F135 | Y103-L115 WeakPolarHBondContact O-CD2 3.49Å; F104-L115 HydrophobicContact CE1-CD1 4.18Å; F104-L115 HydrophobicContact CZ-CD1 4.22Å; L109-L115 HydrophobicContact CD2-CB 4.26Å; L109-L115 HydrophobicContact CD2-CD2 3.59Å; L109-L115 HydrophobicContact CD2-CG 3.6Å; D112-L115 HydrophobicContact CB-CB 4.28Å; D112-L115 PolarHBondContact O-N 3.08Å; D112-L115 PolarHBondContact OD1-N 3.39Å; D112-L115 WeakPolarHBondContact OD2-CB 3.4Å; L115-K117 PolarHBondContact O-N 3.14Å; L115-H118 WeakPolarHBondContact O-CA 3.33Å; L115-H118 WeakPolarHBondContact O-CB 3.37Å; L115-H118 PolarHBondContact O-N 3.02Å; L115-V119 PolarHBondContact O-N 2.87Å; L115-V127 HydrophobicContact CD1-CG1 4.18Å; L115-V127 HydrophobicContact CD1-CG2 4.19Å; L115-L132 HydrophobicContact CD1-CD2 4.39Å; L115-F135 HydrophobicContact CD1-CE2 4.17Å; L115-F135 HydrophobicContact CD1-CZ 4.05Å; L115-F135 HydrophobicContact CD2-CE2 4.23Å |
| 116 | L | 85.3 | Confident | 83.5 | Confident | 6 Ų | 6 | 76.9 Ų | 76.9 | 3% | 0.031 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -55.4 | -40.4 | 176.7 | -178.7 | 60.6 | 0 | 0 | 0 | 112 | D112 H118 V119 R120 V173 F176 | D112-L116 WeakPolarHBondContact O-CB 3.46Å; D112-L116 PolarHBondContact O-N 2.91Å; L116-H118 VanDerWaalsContact C-N 3.33Å; L116-H118 PolarHBondContact O-N 2.94Å; L116-V119 PolarHBondContact O-N 3.12Å; L116-R120 HydrophobicContact CD1-CG 4.19Å; L116-R120 HydrophobicContact CG-CG 4.45Å; L116-R120 WeakPolarHBondContact O-CB 3.35Å; L116-R120 WeakPolarHBondContact O-CG 3.45Å; L116-R120 PolarHBondContact O-N 3.31Å; L116-V173 HydrophobicContact CD1-CG1 4.01Å; L116-F176 HydrophobicContact CD1-CD2 3.77Å; L116-F176 HydrophobicContact CD1-CE2 4.12Å; L116-F176 HydrophobicContact CD2-CB 4.32Å; L116-F176 HydrophobicContact CD2-CD2 3.9Å; L116-F176 HydrophobicContact CG-CD2 4.49Å |
| 117 | K | 84.8 | Confident | 83.8 | Confident | 149 Ų | 149 | 74 Ų | 74 | 65% | 0.648 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -65.9 | -31.5 | 175.2 | -178.4 | 172.8 | -178 | 174.8 | 0 | 113.3 | A113 L115 R121 | A113-K117 WeakPolarHBondContact O-CB 3.31Å; A113-K117 PolarHBondContact O-N 2.95Å; L115-K117 PolarHBondContact O-N 3.14Å; K117-R121 VanDerWaalsContact O-CB 3.22Å; K117-R121 WeakPolarHBondContact O-CB 3.15Å; K117-R121 PolarHBondContact O-N 2.63Å; K117-R121 VanDerWaalsContact O-N 3.1Å |
| 118 | H | 85.9 | Confident | 84.1 | Confident | 51 Ų | 51 | 70.4 Ų | 70.4 | 24% | 0.236 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -73.3 | -38.1 | 174.9 | -79.4 | 86.1 | 0 | 0 | 0 | 112.3 | F114 L115 L116 V127 L131 | F114-H118 AromaticContact CD1-ND1 4Å; F114-H118 AromaticContact CE1-CE1 3.75Å; F114-H118 AromaticContact CE1-ND1 3.72Å; F114-H118 AromaticContact CE2-CE1 3.53Å; F114-H118 AromaticContact CZ-CE1 3.33Å; F114-H118 WeakPolarHBondContact CZ-CE1 3.34Å; F114-H118 AromaticContact CZ-ND1 3.8Å; F114-H118 PolarHBondContact O-N 3.06Å; F114-H118 PolarHBondContact O-ND1 2.86Å; L115-H118 WeakPolarHBondContact O-CA 3.33Å; L115-H118 WeakPolarHBondContact O-CB 3.37Å; L115-H118 PolarHBondContact O-N 3.02Å; L116-H118 VanDerWaalsContact C-N 3.33Å; L116-H118 PolarHBondContact O-N 2.94Å; H118-V127 HydrophobicContact CB-CG2 4.36Å; H118-L131 HydrophobicContact CB-CD2 4.37Å |
| 119 | V | 85.9 | Confident | 84.4 | Confident | 11 Ų | 11 | 69.1 Ų | 69.1 | 7% | 0.067 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.3 | -57.2 | 171.6 | 179.6 | 0 | 0 | 0 | 0 | 110.1 | F104 L115 L116 R121 N122 V127 V173 | F104-V119 HydrophobicContact CE1-CG2 3.98Å; L115-V119 PolarHBondContact O-N 2.87Å; L116-V119 PolarHBondContact O-N 3.12Å; V119-R121 PolarHBondContact O-N 3.38Å; V119-R121 VanDerWaalsContact O-N 3.11Å; V119-N122 PolarHBondContact O-N 3.33Å; V119-N122 VanDerWaalsContact O-N 3.13Å; V119-N122 VanDerWaalsContact O-O 3.13Å; V119-V127 HydrophobicContact CG2-CG2 3.64Å; V119-V173 HydrophobicContact CG1-CG2 4.03Å |
| 120 | R | 81.9 | Confident | 84.8 | Confident | 96 Ų | 96 | 76.7 Ų | 76.7 | 36% | 0.362 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -61.7 | -20.4 | -178.3 | -71.3 | -177.8 | 176.7 | 177.4 | 0.4 | 114 | L116 N122 F176 E179 | L116-R120 HydrophobicContact CD1-CG 4.19Å; L116-R120 HydrophobicContact CG-CG 4.45Å; L116-R120 WeakPolarHBondContact O-CB 3.35Å; L116-R120 WeakPolarHBondContact O-CG 3.45Å; L116-R120 PolarHBondContact O-N 3.31Å; R120-N122 VanDerWaalsContact C-N 3.3Å; R120-N122 PolarHBondContact O-N 2.71Å; R120-F176 PolarHBondContact NH2-O 3.47Å; R120-F176 VanDerWaalsContact NH2-O 3.08Å; R120-E179 IonicContact CZ-OE2 3.2Å; R120-E179 IonicContact NH1-OE2 2.89Å; R120-E179 PolarHBondContact NH1-OE2 2.83Å |
| 121 | R | 82.4 | Confident | 85.3 | Confident | 197 Ų | 197 | 74.5 Ų | 74.5 | 74% | 0.743 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -25.1 | 176.9 | -177.7 | 173.4 | -174.4 | 177.1 | 2.1 | 113.2 | K117 V119 | K117-R121 VanDerWaalsContact O-CB 3.22Å; K117-R121 WeakPolarHBondContact O-CB 3.15Å; K117-R121 PolarHBondContact O-N 2.63Å; K117-R121 VanDerWaalsContact O-N 3.1Å; V119-R121 PolarHBondContact O-N 3.38Å; V119-R121 VanDerWaalsContact O-N 3.11Å |
| 122 | N | 83 | Confident | 85.8 | Confident | 79 Ų | 79 | 68 Ų | 68 | 42% | 0.422 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -111 | 131 | -179.9 | -72.8 | -35.9 | 0 | 0 | 0 | 110.2 | V119 R120 L124 G125 Y126 | V119-N122 PolarHBondContact O-N 3.33Å; V119-N122 VanDerWaalsContact O-N 3.13Å; V119-N122 VanDerWaalsContact O-O 3.13Å; R120-N122 VanDerWaalsContact C-N 3.3Å; R120-N122 PolarHBondContact O-N 2.71Å; N122-L124 PolarHBondContact O-N 2.92Å; N122-G125 PolarHBondContact O-N 3Å; N122-Y126 PolarHBondContact ND2-O 2.76Å |
| 123 | K | 73.9 | Confident | 86.2 | Confident | 218 Ų | 218 | 66.7 Ų | 66.7 | 95% | 0.948 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | -19.8 | -179.7 | -64.4 | -174.3 | 179 | -177.1 | 0 | 114.6 | ||
| 124 | L | 75.3 | Confident | 86.6 | Confident | 112 Ų | 112 | 66.7 Ų | 66.7 | 59% | 0.586 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.1 | 15.1 | -178.5 | -57.7 | 177 | 0 | 0 | 0 | 113.1 | N122 Y126 | N122-L124 PolarHBondContact O-N 2.92Å; L124-Y126 HydrophobicContact CB-CD2 3.76Å; L124-Y126 HydrophobicContact CB-CE2 3.9Å; L124-Y126 HydrophobicContact CD1-CD2 4.45Å; L124-Y126 HydrophobicContact CD1-CE2 4.07Å; L124-Y126 PolarHBondContact O-N 3.13Å |
| 125 | G | 81.6 | Confident | 86.9 | Confident | 17 Ų | 17 | 62.6 Ų | 62.6 | 18% | 0.175 | 30% | 0.297 | C | S | . | . | trans | 70.7 | -6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | N122 V127 | N122-G125 PolarHBondContact O-N 3Å; G125-V127 PolarHBondContact O-N 3.46Å | ||
| 126 | Y | 88.7 | Confident | 87.1 | Confident | 30 Ų | 30 | 70.5 Ų | 70.5 | 12% | 0.118 | 33% | 0.331 | C | S | . | . | trans | -57.5 | 129.4 | -174.9 | -75.3 | -61.2 | 0 | 0 | 0 | 114.7 | N122 L124 N161 K166 V167 R168 | N122-Y126 PolarHBondContact ND2-O 2.76Å; L124-Y126 HydrophobicContact CB-CD2 3.76Å; L124-Y126 HydrophobicContact CB-CE2 3.9Å; L124-Y126 HydrophobicContact CD1-CD2 4.45Å; L124-Y126 HydrophobicContact CD1-CE2 4.07Å; L124-Y126 PolarHBondContact O-N 3.13Å; Y126-N161 HydrophobicContact CE1-CB 4.06Å; Y126-N161 PolarHBondContact OH-OD1 3.2Å; Y126-K166 HydrophobicContact CD1-CB 4.01Å; Y126-K166 HydrophobicContact CG-CB 4.34Å; Y126-K166 HydrophobicContact CG-CD 4.44Å; Y126-V167 CarbonylContact C-O 3.58Å; Y126-V167 WeakPolarHBondContact CA-O 3.42Å; Y126-R168 HydrophobicContact CD1-CB 3.74Å; Y126-R168 HydrophobicContact CD1-CG 4.04Å; Y126-R168 HydrophobicContact CE1-CB 3.91Å; Y126-R168 HydrophobicContact CE1-CG 3.65Å; Y126-R168 HydrophobicContact CG-CB 4.39Å; Y126-R168 PolarHBondContact OH-NH1 2.85Å | ||
| 127 | V | 91.1 | Very high | 87.4 | Confident | 4 Ų | 4 | 74.4 Ų | 74.4 | 2% | 0.024 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 146.1 | 170.7 | -176.2 | 0 | 0 | 0 | 0 | 109 | F104 L115 H118 V119 G125 L131 L132 K166 V167 | F104-V127 HydrophobicContact CE1-CG2 4Å; F104-V127 HydrophobicContact CZ-CB 4.02Å; F104-V127 HydrophobicContact CZ-CG2 3.93Å; L115-V127 HydrophobicContact CD1-CG1 4.18Å; L115-V127 HydrophobicContact CD1-CG2 4.19Å; H118-V127 HydrophobicContact CB-CG2 4.36Å; V119-V127 HydrophobicContact CG2-CG2 3.64Å; G125-V127 PolarHBondContact O-N 3.46Å; V127-L131 HydrophobicContact CG1-CD2 4.04Å; V127-L132 HydrophobicContact CG1-CD2 4.39Å; V127-L132 HydrophobicContact CG1-CG 4.37Å; V127-K166 CarbonylContact O-C 3.5Å; V127-K166 WeakPolarHBondContact O-CA 3.41Å; V127-K166 WeakPolarHBondContact O-CB 3.45Å; V127-V167 PolarHBondContact N-O 2.83Å; V127-V167 PolarHBondContact O-N 2.96Å |
| 128 | S | 92.9 | Very high | 87.8 | Confident | 54 Ų | 54 | 67.3 Ų | 67.3 | 38% | 0.378 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 136.3 | 180 | 51.7 | 0 | 0 | 0 | 0 | 112.5 | K130 L131 L132 | S128-K130 PolarHBondContact O-N 2.95Å; S128-L131 WeakPolarHBondContact O-CB 3.41Å; S128-L131 PolarHBondContact O-N 3.27Å; S128-L131 WeakPolarHBondContact OG-CB 3.34Å; S128-L132 PolarHBondContact O-N 2.95Å |
| 129 | V | 92.9 | Very high | 88.1 | Confident | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.3 | -35 | 179.1 | 178.8 | 0 | 0 | 0 | 0 | 111.1 | L131 L132 T133 T148 A149 L152 L160 R165 | V129-L131 PolarHBondContact O-N 3.22Å; V129-L132 WeakPolarHBondContact O-CB 3.2Å; V129-L132 PolarHBondContact O-N 2.87Å; V129-L132 VanDerWaalsContact O-N 3.08Å; V129-T133 HydrophobicContact CG1-CG2 4.44Å; V129-T133 WeakPolarHBondContact O-CG2 3.33Å; V129-T133 PolarHBondContact O-N 2.86Å; V129-T148 HydrophobicContact CG1-CG2 3.92Å; V129-A149 HydrophobicContact CG1-CB 4.19Å; V129-L152 HydrophobicContact CG1-CD1 4.41Å; V129-L152 HydrophobicContact CG2-CD1 4.16Å; V129-L160 HydrophobicContact CG2-CD2 4.08Å; V129-R165 PolarHBondContact N-O 2.79Å |
| 130 | K | 92.4 | Very high | 88.4 | Confident | 158 Ų | 158 | 77.4 Ų | 77.4 | 69% | 0.687 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -66.6 | -16.5 | 174.3 | -170.1 | 168.7 | -178.8 | 174.8 | 0 | 114.3 | S128 T133 | S128-K130 PolarHBondContact O-N 2.95Å; K130-T133 PolarHBondContact O-OG1 2.77Å |
| 131 | L | 92.2 | Very high | 88.8 | Confident | 30 Ų | 30 | 75.6 Ų | 75.6 | 16% | 0.157 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -80.3 | -44 | 167.6 | -179.4 | 61.3 | 0 | 0 | 0 | 110.1 | F114 H118 V127 S128 V129 T133 S134 F135 | F114-L131 HydrophobicContact CE1-CD1 4.08Å; F114-L131 HydrophobicContact CE1-CD2 4.12Å; F114-L131 HydrophobicContact CE1-CG 4.44Å; F114-L131 HydrophobicContact CZ-CD1 4.06Å; F114-L131 HydrophobicContact CZ-CD2 4.45Å; H118-L131 HydrophobicContact CB-CD2 4.37Å; V127-L131 HydrophobicContact CG1-CD2 4.04Å; S128-L131 WeakPolarHBondContact O-CB 3.41Å; S128-L131 PolarHBondContact O-N 3.27Å; S128-L131 WeakPolarHBondContact OG-CB 3.34Å; V129-L131 PolarHBondContact O-N 3.22Å; L131-T133 VanDerWaalsContact C-N 3.34Å; L131-T133 PolarHBondContact O-N 2.83Å; L131-S134 WeakPolarHBondContact O-CB 3.42Å; L131-S134 PolarHBondContact O-N 2.83Å; L131-S134 PolarHBondContact O-OG 2.76Å; L131-F135 HydrophobicContact CD1-CE1 4.22Å; L131-F135 HydrophobicContact CG-CE1 3.94Å; L131-F135 HydrophobicContact CG-CZ 4.45Å; L131-F135 WeakPolarHBondContact O-CD1 3.43Å |
| 132 | L | 91.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61.8 | -38.8 | 178.7 | -61.7 | 168.9 | 0 | 0 | 0 | 112 | I100 F104 L115 V127 S128 V129 S134 F135 V138 V167 | I100-L132 HydrophobicContact CG2-CD1 4.05Å; F104-L132 HydrophobicContact CE2-CD1 3.83Å; F104-L132 HydrophobicContact CE2-CD2 3.91Å; F104-L132 HydrophobicContact CZ-CD1 4.29Å; F104-L132 HydrophobicContact CZ-CD2 4.2Å; L115-L132 HydrophobicContact CD1-CD2 4.39Å; V127-L132 HydrophobicContact CG1-CD2 4.39Å; V127-L132 HydrophobicContact CG1-CG 4.37Å; S128-L132 PolarHBondContact O-N 2.95Å; V129-L132 WeakPolarHBondContact O-CB 3.2Å; V129-L132 PolarHBondContact O-N 2.87Å; V129-L132 VanDerWaalsContact O-N 3.08Å; L132-S134 PolarHBondContact O-N 2.8Å; L132-S134 VanDerWaalsContact O-N 3.16Å; L132-F135 HydrophobicContact CD2-CD2 4.09Å; L132-F135 HydrophobicContact CD2-CE2 3.66Å; L132-F135 HydrophobicContact CD2-CZ 4.15Å; L132-F135 VanDerWaalsContact O-CB 3.3Å; L132-F135 WeakPolarHBondContact O-CB 3.19Å; L132-F135 PolarHBondContact O-N 2.86Å; L132-V138 WeakPolarHBondContact O-CB 3.35Å; L132-V138 WeakPolarHBondContact O-CG2 3.08Å; L132-V167 HydrophobicContact CD1-CG1 3.42Å; L132-V167 VanDerWaalsContact CD1-CG1 3.42Å |
| 133 | T | 92 | Very high | 89.4 | Confident | 13 Ų | 13 | 73.4 Ų | 73.4 | 8% | 0.08 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -11.6 | 173.6 | 65.8 | 0 | 0 | 0 | 0 | 114.8 | V129 K130 L131 V138 W145 T148 | V129-T133 HydrophobicContact CG1-CG2 4.44Å; V129-T133 WeakPolarHBondContact O-CG2 3.33Å; V129-T133 PolarHBondContact O-N 2.86Å; K130-T133 PolarHBondContact O-OG1 2.77Å; L131-T133 VanDerWaalsContact C-N 3.34Å; L131-T133 PolarHBondContact O-N 2.83Å; T133-V138 HydrophobicContact CG2-CG1 4.49Å; T133-W145 HydrophobicContact CG2-CB 4.15Å; T133-T148 HydrophobicContact CG2-CG2 4.01Å; T133-T148 WeakPolarHBondContact CG2-OG1 3.41Å |
| 134 | S | 91.1 | Very high | 90.1 | Very high | 68 Ų | 68 | 67.6 Ų | 67.6 | 48% | 0.476 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -15.8 | 171.5 | 80.1 | 0 | 0 | 0 | 0 | 113.3 | L131 L132 | L131-S134 WeakPolarHBondContact O-CB 3.42Å; L131-S134 PolarHBondContact O-N 2.83Å; L131-S134 PolarHBondContact O-OG 2.76Å; L132-S134 PolarHBondContact O-N 2.8Å; L132-S134 VanDerWaalsContact O-N 3.16Å |
| 135 | F | 91.8 | Very high | 90.8 | Very high | 22 Ų | 22 | 66.5 Ų | 66.5 | 10% | 0.096 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -67.6 | 145.6 | -176.1 | -71.6 | 5.1 | 0 | 0 | 0 | 111.5 | Y103 F114 L115 L131 L132 K137 V138 K139 | Y103-F135 HydrophobicContact CD1-CD2 4.08Å; Y103-F135 HydrophobicContact CD1-CE2 4.41Å; Y103-F135 AromaticContact CD2-CD2 3.94Å; Y103-F135 HydrophobicContact CD2-CD2 3.94Å; Y103-F135 HydrophobicContact CE1-CD2 4.11Å; Y103-F135 HydrophobicContact CE2-CB 4.12Å; Y103-F135 AromaticContact CE2-CD2 3.99Å; Y103-F135 HydrophobicContact CE2-CD2 3.99Å; Y103-F135 HydrophobicContact CG-CD2 4.01Å; Y103-F135 HydrophobicContact CG-CE2 4.38Å; F114-F135 HydrophobicContact CD1-CE1 4.45Å; F114-F135 HydrophobicContact CD1-CZ 4.47Å; F114-F135 AromaticContact CE1-CE1 3.99Å; F114-F135 HydrophobicContact CE1-CE1 3.99Å; F114-F135 HydrophobicContact CE1-CZ 4.32Å; L115-F135 HydrophobicContact CD1-CE2 4.17Å; L115-F135 HydrophobicContact CD1-CZ 4.05Å; L115-F135 HydrophobicContact CD2-CE2 4.23Å; L131-F135 HydrophobicContact CD1-CE1 4.22Å; L131-F135 HydrophobicContact CG-CE1 3.94Å; L131-F135 HydrophobicContact CG-CZ 4.45Å; L131-F135 WeakPolarHBondContact O-CD1 3.43Å; L132-F135 HydrophobicContact CD2-CD2 4.09Å; L132-F135 HydrophobicContact CD2-CE2 3.66Å; L132-F135 HydrophobicContact CD2-CZ 4.15Å; L132-F135 VanDerWaalsContact O-CB 3.3Å; L132-F135 WeakPolarHBondContact O-CB 3.19Å; L132-F135 PolarHBondContact O-N 2.86Å; F135-K137 PolarHBondContact O-N 3.45Å; F135-V138 HydrophobicContact CB-CG2 4.22Å; F135-V138 PolarHBondContact O-N 3.16Å; F135-K139 VanDerWaalsContact O-CB 3.22Å; F135-K139 WeakPolarHBondContact O-CB 3.45Å; F135-K139 PolarHBondContact O-N 2.66Å |
| 136 | K | 92.4 | Very high | 91.2 | Very high | 166 Ų | 166 | 72.4 Ų | 72.4 | 72% | 0.722 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -52.8 | -50.1 | -168.1 | -169.8 | -179.6 | 178.5 | -174 | 0 | 112.4 | H140 | K136-H140 PolarHBondContact O-ND1 2.89Å |
| 137 | K | 91.7 | Very high | 91.3 | Very high | 88 Ų | 88 | 71.8 Ų | 71.8 | 38% | 0.383 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -68.3 | -51.1 | -178.7 | -62.1 | -173.4 | -176.3 | 175.8 | 0 | 112.2 | Q99 Y103 F135 K139 H140 L141 | Q99-K137 HydrophobicContact CG-CD 4.39Å; Y103-K137 HydrophobicContact CE2-CB 4.18Å; Y103-K137 WeakPolarHBondContact OH-CB 3.37Å; Y103-K137 WeakPolarHBondContact OH-CG 3.48Å; Y103-K137 PolarHBondContact OH-N 2.77Å; F135-K137 PolarHBondContact O-N 3.45Å; K137-K139 VanDerWaalsContact C-N 3.28Å; K137-K139 PolarHBondContact O-N 3.11Å; K137-H140 PolarHBondContact O-N 2.84Å; K137-L141 PolarHBondContact O-N 3.31Å |
| 138 | V | 92.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 71.6 Ų | 71.6 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -55.4 | -44.1 | -179.8 | -170.4 | 0 | 0 | 0 | 0 | 111.2 | L96 I100 Y103 L132 T133 F135 H140 L141 T142 T148 | L96-V138 HydrophobicContact CD2-CG1 3.75Å; I100-V138 HydrophobicContact CD1-CG1 4.43Å; I100-V138 HydrophobicContact CD1-CG2 4.38Å; I100-V138 HydrophobicContact CG1-CG2 3.95Å; Y103-V138 HydrophobicContact CD2-CG2 4.26Å; Y103-V138 HydrophobicContact CE2-CG2 3.89Å; L132-V138 WeakPolarHBondContact O-CB 3.35Å; L132-V138 WeakPolarHBondContact O-CG2 3.08Å; T133-V138 HydrophobicContact CG2-CG1 4.49Å; F135-V138 HydrophobicContact CB-CG2 4.22Å; F135-V138 PolarHBondContact O-N 3.16Å; V138-H140 PolarHBondContact O-N 2.75Å; V138-L141 WeakPolarHBondContact O-CB 3.37Å; V138-L141 PolarHBondContact O-N 2.82Å; V138-T142 PolarHBondContact O-N 2.83Å; V138-T142 VanDerWaalsContact O-O 3.13Å; V138-T148 HydrophobicContact CG1-CG2 4.38Å |
| 139 | K | 92.8 | Very high | 91.2 | Very high | 122 Ų | 122 | 69.3 Ų | 69.3 | 53% | 0.53 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -63.9 | -21.2 | 179.8 | -172.6 | 175.9 | 176.2 | -176.6 | 0 | 114.6 | F135 K137 T142 | F135-K139 VanDerWaalsContact O-CB 3.22Å; F135-K139 WeakPolarHBondContact O-CB 3.45Å; F135-K139 PolarHBondContact O-N 2.66Å; K137-K139 VanDerWaalsContact C-N 3.28Å; K137-K139 PolarHBondContact O-N 3.11Å; K139-T142 WeakPolarHBondContact CA-O 3.4Å |
| 140 | H | 91.3 | Very high | 91 | Very high | 151 Ų | 151 | 71.1 Ų | 71.1 | 70% | 0.699 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -83.5 | -25 | 172.5 | -72.4 | 66.5 | 0 | 0 | 0 | 112.2 | K136 K137 V138 | K136-H140 PolarHBondContact O-ND1 2.89Å; K137-H140 PolarHBondContact O-N 2.84Å; V138-H140 PolarHBondContact O-N 2.75Å |
| 141 | L | 89.8 | Confident | 91 | Very high | 58 Ų | 58 | 63.6 Ų | 63.6 | 30% | 0.304 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -81.1 | -45 | 173.8 | -61.3 | 174.9 | 0 | 0 | 0 | 111.6 | K95 L96 Q99 K137 V138 | K95-L141 HydrophobicContact CB-CD1 4.09Å; K95-L141 HydrophobicContact CB-CD2 4.32Å; K95-L141 WeakPolarHBondContact O-CD1 3.39Å; L96-L141 HydrophobicContact CD2-CB 4.07Å; L96-L141 HydrophobicContact CD2-CD1 4.06Å; L96-L141 HydrophobicContact CG-CB 4.44Å; L96-L141 HydrophobicContact CG-CD1 4.23Å; Q99-L141 HydrophobicContact CG-CD1 4.34Å; K137-L141 PolarHBondContact O-N 3.31Å; V138-L141 WeakPolarHBondContact O-CB 3.37Å; V138-L141 PolarHBondContact O-N 2.82Å |
| 142 | T | 89.9 | Confident | 90.9 | Very high | 20 Ų | 20 | 62.3 Ų | 62.3 | 12% | 0.123 | 28% | 0.283 | C | S | . | . | trans | -156.6 | 148.4 | -175.9 | -50.7 | 0 | 0 | 0 | 0 | 111.7 | V138 K139 D144 T147 | V138-T142 PolarHBondContact O-N 2.83Å; V138-T142 VanDerWaalsContact O-O 3.13Å; K139-T142 WeakPolarHBondContact CA-O 3.4Å; T142-D144 HydrophobicContact CG2-CB 4.1Å; T142-T147 HydrophobicContact CG2-CG2 3.93Å | ||
| 143 | R | 88.2 | Confident | 90.7 | Very high | 210 Ų | 210 | 67.6 Ų | 67.6 | 79% | 0.792 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -97.4 | -22.1 | 175.3 | -61.6 | -179.5 | -177.1 | -179.9 | 3.6 | 112.6 | ||
| 144 | D | 89.9 | Confident | 90.5 | Very high | 97 Ų | 97 | 73.9 Ų | 73.9 | 52% | 0.519 | 33% | 0.329 | S | S | . | . | trans | -91.5 | 121.2 | -170.4 | -58.1 | -74.3 | 0 | 0 | 0 | 113.7 | T142 R146 T147 T148 | T142-D144 HydrophobicContact CG2-CB 4.1Å; D144-R146 VanDerWaalsContact C-N 3.26Å; D144-R146 PolarHBondContact O-N 2.94Å; D144-T147 PolarHBondContact O-N 3Å; D144-T148 PolarHBondContact O-N 2.86Å; D144-T148 PolarHBondContact O-OG1 3.26Å | ||
| 145 | W | 89 | Confident | 90.3 | Very high | 88 Ų | 88 | 71.3 Ų | 71.3 | 33% | 0.333 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -66.7 | -25.3 | 179.3 | 74.5 | -85.5 | 0 | 0 | 0 | 113.4 | T133 A149 R165 | T133-W145 HydrophobicContact CG2-CB 4.15Å; W145-A149 HydrophobicContact CE3-CB 4.31Å; W145-A149 HydrophobicContact CZ3-CB 4.48Å; W145-A149 WeakPolarHBondContact O-CB 3.45Å; W145-A149 PolarHBondContact O-N 2.99Å; W145-R165 HydrophobicContact CH2-CG 4.44Å; W145-R165 HydrophobicContact CZ3-CG 4.15Å |
| 146 | R | 90.2 | Very high | 89.8 | Confident | 142 Ų | 142 | 76.6 Ų | 76.6 | 54% | 0.536 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -61.4 | -49.1 | 174.8 | -69.6 | -179.4 | 176.6 | 169.3 | -2.8 | 110.5 | W85 D144 A149 H150 | W85-R146 HydrophobicContact CG-CB 4.5Å; D144-R146 VanDerWaalsContact C-N 3.26Å; D144-R146 PolarHBondContact O-N 2.94Å; R146-A149 PolarHBondContact O-N 3.06Å; R146-H150 PolarHBondContact O-N 3.47Å |
| 147 | T | 90.1 | Very high | 89.4 | Confident | 17 Ų | 17 | 71.4 Ų | 71.4 | 10% | 0.104 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.6 | -44.3 | 179.7 | -50.4 | 0 | 0 | 0 | 0 | 111.6 | W85 P88 L96 T142 D144 H150 A151 | W85-T147 PolarHBondContact NE1-OG1 2.69Å; W85-T147 VanDerWaalsContact NE1-OG1 3.16Å; P88-T147 HydrophobicContact CB-CG2 3.56Å; P88-T147 HydrophobicContact CG-CG2 3.51Å; L96-T147 HydrophobicContact CD1-CG2 4.45Å; T142-T147 HydrophobicContact CG2-CG2 3.93Å; D144-T147 PolarHBondContact O-N 3Å; T147-H150 PolarHBondContact O-N 3.15Å; T147-A151 PolarHBondContact O-N 2.71Å |
| 148 | T | 91.2 | Very high | 89.2 | Confident | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -66.5 | -38.7 | 173.9 | -51.5 | 0 | 0 | 0 | 0 | 112.8 | I100 V129 T133 V138 D144 H150 A151 L152 | I100-T148 HydrophobicContact CD1-CG2 3.37Å; V129-T148 HydrophobicContact CG1-CG2 3.92Å; T133-T148 HydrophobicContact CG2-CG2 4.01Å; T133-T148 WeakPolarHBondContact CG2-OG1 3.41Å; V138-T148 HydrophobicContact CG1-CG2 4.38Å; D144-T148 PolarHBondContact O-N 2.86Å; D144-T148 PolarHBondContact O-OG1 3.26Å; T148-H150 VanDerWaalsContact C-N 3.27Å; T148-H150 PolarHBondContact O-N 3.12Å; T148-A151 PolarHBondContact O-N 3.38Å; T148-L152 HydrophobicContact CG2-CD1 4.15Å; T148-L152 WeakPolarHBondContact O-CB 3.12Å; T148-L152 VanDerWaalsContact O-CG 3.31Å; T148-L152 WeakPolarHBondContact O-CG 3.2Å; T148-L152 PolarHBondContact O-N 3.41Å |
| 149 | A | 91.4 | Very high | 89 | Confident | 6 Ų | 6 | 71 Ų | 71 | 5% | 0.05 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -66.9 | -27.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | V129 W145 R146 L160 H164 | V129-A149 HydrophobicContact CG1-CB 4.19Å; W145-A149 HydrophobicContact CE3-CB 4.31Å; W145-A149 HydrophobicContact CZ3-CB 4.48Å; W145-A149 WeakPolarHBondContact O-CB 3.45Å; W145-A149 PolarHBondContact O-N 2.99Å; R146-A149 PolarHBondContact O-N 3.06Å; A149-L160 VanDerWaalsContact O-CD1 3.27Å; A149-L160 WeakPolarHBondContact O-CD1 3.41Å; A149-H164 HydrophobicContact CB-CB 4.29Å; A149-H164 WeakPolarHBondContact CB-O 3.39Å |
| 150 | H | 90 | Very high | 88.9 | Confident | 38 Ų | 38 | 66.4 Ų | 66.4 | 18% | 0.176 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -76.1 | -44.5 | 171.7 | -175.5 | 87.1 | 0 | 0 | 0 | 111.9 | W85 R146 T147 T148 L152 K153 Y154 | W85-H150 HydrophobicContact CH2-CB 3.59Å; W85-H150 AromaticContact CH2-CD2 3.72Å; W85-H150 AromaticContact CH2-CE1 3.85Å; W85-H150 AromaticContact CH2-CG 3.31Å; W85-H150 AromaticContact CH2-ND1 3.4Å; W85-H150 WeakPolarHBondContact CH2-ND1 3.44Å; W85-H150 HydrophobicContact CZ2-CB 3.61Å; W85-H150 AromaticContact CZ2-CG 3.83Å; R146-H150 PolarHBondContact O-N 3.47Å; T147-H150 PolarHBondContact O-N 3.15Å; T148-H150 VanDerWaalsContact C-N 3.27Å; T148-H150 PolarHBondContact O-N 3.12Å; H150-L152 VanDerWaalsContact C-N 3.27Å; H150-L152 PolarHBondContact O-N 3.49Å; H150-K153 VanDerWaalsContact O-CB 3.27Å; H150-K153 WeakPolarHBondContact O-CB 3.1Å; H150-K153 WeakPolarHBondContact O-CG 3.27Å; H150-K153 PolarHBondContact O-N 3.1Å; H150-Y154 AromaticContact CD2-CE2 3.87Å; H150-Y154 AromaticContact NE2-CE2 3.64Å; H150-Y154 WeakPolarHBondContact O-CD2 3.18Å |
| 151 | A | 91.2 | Very high | 88.8 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58.3 | -40.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | I93 L96 V97 T147 T148 K153 Y154 | I93-A151 HydrophobicContact CB-CB 4.37Å; I93-A151 HydrophobicContact CG1-CB 4.38Å; I93-A151 HydrophobicContact CG2-CB 4.09Å; L96-A151 HydrophobicContact CB-CB 3.8Å; L96-A151 HydrophobicContact CD1-CB 3.95Å; V97-A151 HydrophobicContact CG2-CB 4.47Å; V97-A151 WeakPolarHBondContact CG2-O 3.3Å; T147-A151 PolarHBondContact O-N 2.71Å; T148-A151 PolarHBondContact O-N 3.38Å; A151-K153 PolarHBondContact O-N 2.81Å; A151-Y154 PolarHBondContact O-N 2.57Å |
| 152 | L | 90.4 | Very high | 88.6 | Confident | 3 Ų | 3 | 66.7 Ų | 66.7 | 2% | 0.016 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | 5.5 | 174.4 | -69.4 | 172 | 0 | 0 | 0 | 115.1 | I100 V129 T148 H150 S155 L158 L160 V167 | I100-L152 HydrophobicContact CB-CD2 4.12Å; I100-L152 HydrophobicContact CD1-CD1 4.18Å; I100-L152 HydrophobicContact CD1-CD2 4.13Å; I100-L152 HydrophobicContact CD1-CG 4.25Å; I100-L152 HydrophobicContact CG2-CD2 3.82Å; V129-L152 HydrophobicContact CG1-CD1 4.41Å; V129-L152 HydrophobicContact CG2-CD1 4.16Å; T148-L152 HydrophobicContact CG2-CD1 4.15Å; T148-L152 WeakPolarHBondContact O-CB 3.12Å; T148-L152 VanDerWaalsContact O-CG 3.31Å; T148-L152 WeakPolarHBondContact O-CG 3.2Å; T148-L152 PolarHBondContact O-N 3.41Å; H150-L152 VanDerWaalsContact C-N 3.27Å; H150-L152 PolarHBondContact O-N 3.49Å; L152-S155 PolarHBondContact O-OG 3.44Å; L152-L158 HydrophobicContact CD2-CD1 3.87Å; L152-L160 HydrophobicContact CB-CD1 3.92Å; L152-L160 HydrophobicContact CB-CD2 3.97Å; L152-L160 HydrophobicContact CB-CG 4.07Å; L152-L160 HydrophobicContact CD1-CD2 4.34Å; L152-L160 VanDerWaalsContact O-CD1 3.24Å; L152-L160 WeakPolarHBondContact O-CD1 2.94Å; L152-V167 HydrophobicContact CD1-CB 4.4Å; L152-V167 HydrophobicContact CD1-CG1 4.41Å; L152-V167 HydrophobicContact CD1-CG2 4.45Å |
| 153 | K | 88.2 | Confident | 88.4 | Confident | 111 Ų | 111 | 70 Ų | 70 | 48% | 0.483 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -16.4 | 165.1 | -62.7 | -171.6 | 172 | -155.7 | 0 | 112.9 | H150 A151 L160 H164 | H150-K153 VanDerWaalsContact O-CB 3.27Å; H150-K153 WeakPolarHBondContact O-CB 3.1Å; H150-K153 WeakPolarHBondContact O-CG 3.27Å; H150-K153 PolarHBondContact O-N 3.1Å; A151-K153 PolarHBondContact O-N 2.81Å; K153-L160 HydrophobicContact CG-CD1 3.78Å; K153-H164 VanDerWaalsContact CE-CD2 3.5Å; K153-H164 WeakPolarHBondContact CE-CD2 3.48Å; K153-H164 WeakPolarHBondContact CE-NE2 3.47Å; K153-H164 PolarHBondContact NZ-CD2 3.03Å; K153-H164 PolarHBondContact NZ-NE2 2.85Å |
| 154 | Y | 86.1 | Confident | 88.3 | Confident | 145 Ų | 145 | 63.4 Ų | 63.4 | 57% | 0.569 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -103.7 | -5.7 | -177 | -58 | -87.8 | 0 | 0 | 0 | 113.1 | I93 H150 A151 | I93-Y154 HydrophobicContact CD1-CE2 4.19Å; I93-Y154 HydrophobicContact CG2-CD2 3.82Å; I93-Y154 HydrophobicContact CG2-CE2 4.45Å; I93-Y154 HydrophobicContact CG2-CG 4.25Å; H150-Y154 AromaticContact CD2-CE2 3.87Å; H150-Y154 AromaticContact NE2-CE2 3.64Å; H150-Y154 WeakPolarHBondContact O-CD2 3.18Å; A151-Y154 PolarHBondContact O-N 2.57Å |
| 155 | S | 87 | Confident | 88.2 | Confident | 13 Ų | 13 | 66.1 Ų | 66.1 | 9% | 0.091 | 31% | 0.307 | C | S | . | . | trans | -71.4 | 135.7 | 173 | 47.5 | 0 | 0 | 0 | 0 | 111.4 | E101 L152 L158 | E101-S155 WeakPolarHBondContact OE1-CA 3.32Å; E101-S155 WeakPolarHBondContact OE1-CB 3.29Å; L152-S155 PolarHBondContact O-OG 3.44Å; S155-L158 PolarHBondContact OG-O 3.37Å | ||
| 156 | V | 82.7 | Confident | 88.3 | Confident | 133 Ų | 133 | 66.4 Ų | 66.4 | 81% | 0.806 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -92.3 | -27.5 | 179.5 | -176.3 | 0 | 0 | 0 | 0 | 111.1 | E101 | E101-V156 PolarHBondContact OE1-N 3.12Å; E101-V156 VanDerWaalsContact OE1-N 3.14Å |
| 157 | V | 83.9 | Confident | 88.4 | Confident | 58 Ų | 58 | 59.6 Ų | 59.6 | 35% | 0.352 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -84.7 | -16.9 | -176 | -173.6 | 0 | 0 | 0 | 0 | 112.4 | E101 T170 | E101-V157 HydrophobicContact CG-CB 4.27Å; E101-V157 WeakPolarHBondContact OE1-CB 3.4Å; E101-V157 PolarHBondContact OE1-N 3.22Å; V157-T170 PolarHBondContact O-N 3.35Å; V157-T170 PolarHBondContact O-OG1 2.81Å |
| 158 | L | 87.9 | Confident | 88.3 | Confident | 8 Ų | 8 | 61.9 Ų | 61.9 | 4% | 0.042 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 136.4 | -167.1 | -57.4 | 178.4 | 0 | 0 | 0 | 112.3 | I100 E101 F104 L152 S155 V167 R168 R169 | I100-L158 HydrophobicContact CG2-CD1 3.77Å; E101-L158 HydrophobicContact CG-CD1 3.83Å; E101-L158 HydrophobicContact CG-CG 4.09Å; F104-L158 HydrophobicContact CB-CD2 3.8Å; F104-L158 HydrophobicContact CD2-CD1 3.83Å; F104-L158 HydrophobicContact CD2-CD2 3.8Å; F104-L158 HydrophobicContact CE2-CD1 4.46Å; F104-L158 HydrophobicContact CG-CD2 3.8Å; L152-L158 HydrophobicContact CD2-CD1 3.87Å; S155-L158 PolarHBondContact OG-O 3.37Å; L158-V167 HydrophobicContact CB-CG2 3.74Å; L158-V167 HydrophobicContact CD1-CG2 4.48Å; L158-R168 CarbonylContact C-O 3.57Å; L158-R168 WeakPolarHBondContact CA-O 3.39Å; L158-R169 HydrophobicContact CD2-CB 4.39Å; L158-R169 HydrophobicContact CD2-CG 3.63Å |
| 159 | E | 88.9 | Confident | 88.1 | Confident | 70 Ų | 70 | 63.2 Ų | 63.2 | 33% | 0.327 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 126.1 | -177.3 | -171.1 | -166.6 | 152.3 | 0 | 0 | 110.5 | V167 R168 | E159-V167 CarbonylContact O-C 3.43Å; E159-V167 VanDerWaalsContact O-CA 3.3Å; E159-V167 WeakPolarHBondContact O-CA 3.36Å; E159-V167 WeakPolarHBondContact O-CG2 3.41Å; E159-R168 HydrophobicContact CB-CG 4.02Å; E159-R168 VanDerWaalsContact CD-NE 3.31Å; E159-R168 PolarHBondContact N-O 3.34Å; E159-R168 PolarHBondContact O-N 2.93Å; E159-R168 IonicContact OE1-CZ 2.71Å; E159-R168 IonicContact OE1-NE 2.69Å; E159-R168 IonicContact OE1-NH2 3.17Å; E159-R168 PolarHBondContact OE1-NH2 2.98Å; E159-R168 IonicContact OE2-CZ 3.36Å; E159-R168 IonicContact OE2-NE 2.75Å; E159-R168 PolarHBondContact OE2-NE 3.24Å; E159-R168 IonicContact OE2-NH2 2.62Å; E159-R168 PolarHBondContact OE2-NH2 3.08Å |
| 160 | L | 89.4 | Confident | 87.6 | Confident | 27 Ų | 27 | 67 Ų | 67 | 14% | 0.141 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 141.6 | 174.3 | -74.2 | 168.3 | 0 | 0 | 0 | 111.6 | V129 A149 L152 K153 H164 K166 V167 | V129-L160 HydrophobicContact CG2-CD2 4.08Å; A149-L160 VanDerWaalsContact O-CD1 3.27Å; A149-L160 WeakPolarHBondContact O-CD1 3.41Å; L152-L160 HydrophobicContact CB-CD1 3.92Å; L152-L160 HydrophobicContact CB-CD2 3.97Å; L152-L160 HydrophobicContact CB-CG 4.07Å; L152-L160 HydrophobicContact CD1-CD2 4.34Å; L152-L160 VanDerWaalsContact O-CD1 3.24Å; L152-L160 WeakPolarHBondContact O-CD1 2.94Å; K153-L160 HydrophobicContact CG-CD1 3.78Å; L160-H164 HydrophobicContact CD1-CB 4.45Å; L160-K166 WeakPolarHBondContact CA-O 3.4Å; L160-V167 HydrophobicContact CD2-CB 4Å; L160-V167 HydrophobicContact CD2-CG2 4.27Å |
| 161 | N | 89.1 | Confident | 86.9 | Confident | 31 Ų | 31 | 68.3 Ų | 68.3 | 17% | 0.166 | 33% | 0.33 | C | S | . | . | trans | -63.6 | 160.2 | 165.8 | -159.8 | 65.9 | 0 | 0 | 0 | 110.6 | Y126 D163 H164 K166 | Y126-N161 HydrophobicContact CE1-CB 4.06Å; Y126-N161 PolarHBondContact OH-OD1 3.2Å; N161-D163 VanDerWaalsContact C-N 3.26Å; N161-D163 PolarHBondContact ND2-OD2 3.15Å; N161-D163 PolarHBondContact O-N 2.94Å; N161-D163 VanDerWaalsContact O-N 3.17Å; N161-H164 WeakPolarHBondContact O-CA 3.23Å; N161-H164 PolarHBondContact O-N 3.2Å; N161-H164 PolarHBondContact O-ND1 2.68Å; N161-K166 HydrophobicContact CB-CB 4.12Å; N161-K166 PolarHBondContact N-O 2.99Å | ||
| 162 | E | 86.7 | Confident | 86 | Confident | 183 Ų | 183 | 74 Ų | 74 | 86% | 0.855 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.4 | -41.1 | 177.4 | -64.7 | 168 | -164.6 | 0 | 0 | 113.3 | H164 | E162-H164 PolarHBondContact O-N 2.89Å; E162-H164 VanDerWaalsContact O-N 3.16Å |
| 163 | D | 85.3 | Confident | 85 | Confident | 91 Ų | 91 | 75.7 Ų | 75.7 | 49% | 0.487 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -11.6 | 176.1 | -47 | -84.2 | 0 | 0 | 0 | 114.9 | N161 R165 | N161-D163 VanDerWaalsContact C-N 3.26Å; N161-D163 PolarHBondContact ND2-OD2 3.15Å; N161-D163 PolarHBondContact O-N 2.94Å; N161-D163 VanDerWaalsContact O-N 3.17Å; D163-R165 HydrophobicContact CB-CB 3.95Å; D163-R165 HydrophobicContact CB-CG 3.8Å; D163-R165 PolarHBondContact O-N 3.26Å |
| 164 | H | 86.1 | Confident | 83.9 | Confident | 70 Ų | 70 | 73 Ų | 73 | 32% | 0.324 | 37% | 0.371 | S | S | . | . | S | Bend | trans | 52.9 | 13.7 | -161 | -52.1 | -47.2 | 0 | 0 | 0 | 115.6 | A149 K153 L160 N161 E162 | A149-H164 HydrophobicContact CB-CB 4.29Å; A149-H164 WeakPolarHBondContact CB-O 3.39Å; K153-H164 VanDerWaalsContact CE-CD2 3.5Å; K153-H164 WeakPolarHBondContact CE-CD2 3.48Å; K153-H164 WeakPolarHBondContact CE-NE2 3.47Å; K153-H164 PolarHBondContact NZ-CD2 3.03Å; K153-H164 PolarHBondContact NZ-NE2 2.85Å; L160-H164 HydrophobicContact CD1-CB 4.45Å; N161-H164 WeakPolarHBondContact O-CA 3.23Å; N161-H164 PolarHBondContact O-N 3.2Å; N161-H164 PolarHBondContact O-ND1 2.68Å; E162-H164 PolarHBondContact O-N 2.89Å; E162-H164 VanDerWaalsContact O-N 3.16Å |
| 165 | R | 88.2 | Confident | 82.5 | Confident | 155 Ų | 155 | 73.7 Ų | 73.7 | 59% | 0.585 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -86.3 | -14.5 | -179.1 | -67.8 | 172.7 | -169.6 | -124.2 | 1.1 | 114.3 | V129 W145 D163 | V129-R165 PolarHBondContact N-O 2.79Å; W145-R165 HydrophobicContact CH2-CG 4.44Å; W145-R165 HydrophobicContact CZ3-CG 4.15Å; D163-R165 HydrophobicContact CB-CB 3.95Å; D163-R165 HydrophobicContact CB-CG 3.8Å; D163-R165 PolarHBondContact O-N 3.26Å |
| 166 | K | 90.9 | Very high | 81.2 | Confident | 93 Ų | 93 | 74 Ų | 74 | 40% | 0.404 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 151.6 | -178.8 | -59.1 | 172 | -169.1 | 160.1 | 0 | 109.8 | Y126 V127 L160 N161 | Y126-K166 HydrophobicContact CD1-CB 4.01Å; Y126-K166 HydrophobicContact CG-CB 4.34Å; Y126-K166 HydrophobicContact CG-CD 4.44Å; V127-K166 CarbonylContact O-C 3.5Å; V127-K166 WeakPolarHBondContact O-CA 3.41Å; V127-K166 WeakPolarHBondContact O-CB 3.45Å; L160-K166 WeakPolarHBondContact CA-O 3.4Å; N161-K166 HydrophobicContact CB-CB 4.12Å; N161-K166 PolarHBondContact N-O 2.99Å |
| 167 | V | 91.2 | Very high | 79.9 | Confident | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 146.6 | 175.9 | 68.6 | 0 | 0 | 0 | 0 | 109.7 | F104 Y126 V127 L132 L152 L158 E159 L160 | F104-V167 HydrophobicContact CE2-CG1 3.93Å; F104-V167 HydrophobicContact CZ-CG1 4.05Å; Y126-V167 CarbonylContact C-O 3.58Å; Y126-V167 WeakPolarHBondContact CA-O 3.42Å; V127-V167 PolarHBondContact N-O 2.83Å; V127-V167 PolarHBondContact O-N 2.96Å; L132-V167 HydrophobicContact CD1-CG1 3.42Å; L132-V167 VanDerWaalsContact CD1-CG1 3.42Å; L152-V167 HydrophobicContact CD1-CB 4.4Å; L152-V167 HydrophobicContact CD1-CG1 4.41Å; L152-V167 HydrophobicContact CD1-CG2 4.45Å; L158-V167 HydrophobicContact CB-CG2 3.74Å; L158-V167 HydrophobicContact CD1-CG2 4.48Å; E159-V167 CarbonylContact O-C 3.43Å; E159-V167 VanDerWaalsContact O-CA 3.3Å; E159-V167 WeakPolarHBondContact O-CA 3.36Å; E159-V167 WeakPolarHBondContact O-CG2 3.41Å; L160-V167 HydrophobicContact CD2-CB 4Å; L160-V167 HydrophobicContact CD2-CG2 4.27Å |
| 168 | R | 88.1 | Confident | 78.4 | Confident | 64 Ų | 64 | 72.3 Ų | 72.3 | 24% | 0.242 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 164.4 | 168.2 | 64.1 | 177.6 | -179.7 | -161.3 | -2.2 | 109.5 | Y126 L158 E159 | Y126-R168 HydrophobicContact CD1-CB 3.74Å; Y126-R168 HydrophobicContact CD1-CG 4.04Å; Y126-R168 HydrophobicContact CE1-CB 3.91Å; Y126-R168 HydrophobicContact CE1-CG 3.65Å; Y126-R168 HydrophobicContact CG-CB 4.39Å; Y126-R168 PolarHBondContact OH-NH1 2.85Å; L158-R168 CarbonylContact C-O 3.57Å; L158-R168 WeakPolarHBondContact CA-O 3.39Å; E159-R168 HydrophobicContact CB-CG 4.02Å; E159-R168 VanDerWaalsContact CD-NE 3.31Å; E159-R168 PolarHBondContact N-O 3.34Å; E159-R168 PolarHBondContact O-N 2.93Å; E159-R168 IonicContact OE1-CZ 2.71Å; E159-R168 IonicContact OE1-NE 2.69Å; E159-R168 IonicContact OE1-NH2 3.17Å; E159-R168 PolarHBondContact OE1-NH2 2.98Å; E159-R168 IonicContact OE2-CZ 3.36Å; E159-R168 IonicContact OE2-NE 2.75Å; E159-R168 PolarHBondContact OE2-NE 3.24Å; E159-R168 IonicContact OE2-NH2 2.62Å; E159-R168 PolarHBondContact OE2-NH2 3.08Å |
| 169 | R | 87.4 | Confident | 76.7 | Confident | 28 Ų | 28 | 75.7 Ų | 75.7 | 11% | 0.106 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 142.2 | 160.2 | -79.7 | 171.9 | 61.1 | 161 | -8.8 | 109.6 | F104 D106 L158 T171 | F104-R169 HydrophobicContact CB-CG 3.98Å; F104-R169 HydrophobicContact CD1-CG 4.04Å; F104-R169 HydrophobicContact CG-CG 4.23Å; F104-R169 WeakPolarHBondContact O-CD 3.25Å; F104-R169 PolarHBondContact O-NH1 2.86Å; D106-R169 IonicContact OD1-CZ 3.39Å; D106-R169 VanDerWaalsContact OD1-CZ 3.24Å; D106-R169 IonicContact OD1-NH1 2.67Å; D106-R169 PolarHBondContact OD1-NH1 3.04Å; D106-R169 IonicContact OD1-NH2 3.3Å; D106-R169 PolarHBondContact OD1-NH2 3.33Å; D106-R169 IonicContact OD2-CZ 2.71Å; D106-R169 IonicContact OD2-NH1 2.74Å; D106-R169 IonicContact OD2-NH2 2.75Å; D106-R169 PolarHBondContact OD2-NH2 2.76Å; L158-R169 HydrophobicContact CD2-CB 4.39Å; L158-R169 HydrophobicContact CD2-CG 3.63Å; R169-T171 WeakPolarHBondContact CB-O 3.33Å; R169-T171 PolarHBondContact NE-OG1 3.11Å; R169-T171 PolarHBondContact NH2-OG1 3.23Å |
| 170 | T | 80.3 | Confident | 75 | Confident | 86 Ų | 86 | 73.6 Ų | 73.6 | 53% | 0.528 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -72.1 | -35.4 | 168.7 | -44.2 | 0 | 0 | 0 | 0 | 110.3 | V157 | V157-T170 PolarHBondContact O-N 3.35Å; V157-T170 PolarHBondContact O-OG1 2.81Å |
| 171 | T | 75.6 | Confident | 73.3 | Confident | 66 Ų | 66 | 76.9 Ų | 76.9 | 41% | 0.405 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -78.6 | 136.6 | 171.6 | 53.9 | 0 | 0 | 0 | 0 | 111.3 | R169 | R169-T171 WeakPolarHBondContact CB-O 3.33Å; R169-T171 PolarHBondContact NE-OG1 3.11Å; R169-T171 PolarHBondContact NH2-OG1 3.23Å |
| 172 | P | 72.2 | Confident | 71.7 | Confident | 119 Ų | 119 | 80 Ų | 80 | 77% | 0.773 | 42% | 0.418 | S | S | * | . | P | Polyproline II helix | trans | -62.8 | 139.4 | 173.4 | 27.8 | -34.2 | 0 | 0 | 0 | 110 | ||
| 173 | V | 69.9 | Low | 70.6 | Confident | 39 Ų | 39 | 71.8 Ų | 71.8 | 24% | 0.236 | 38% | 0.38 | C | S | . | . | P | Polyproline II helix | trans | -74 | 128.3 | -179.1 | 177 | 0 | 0 | 0 | 0 | 110.1 | L109 L116 V119 F176 | L109-V173 HydrophobicContact CD1-CG1 3.87Å; L109-V173 HydrophobicContact CD1-CG2 3.89Å; L116-V173 HydrophobicContact CD1-CG1 4.01Å; V119-V173 HydrophobicContact CG1-CG2 4.03Å; V173-F176 HydrophobicContact CG1-CD2 4.15Å; V173-F176 HydrophobicContact CG1-CE2 3.47Å; V173-F176 VanDerWaalsContact CG1-CE2 3.47Å; V173-F176 HydrophobicContact CG1-CZ 4.3Å |
| 174 | P | 64.4 | Low | 70.1 | Confident | 54 Ų | 54 | 72 Ų | 72 | 35% | 0.351 | 38% | 0.377 | S | S | . | . | P | Polyproline II helix | trans | -54.2 | 151.5 | 175.7 | -27.4 | 35.8 | 0 | 0 | 0 | 113.3 | D106 F176 | D106-P174 WeakPolarHBondContact OD1-CD 3.27Å; D106-P174 VanDerWaalsContact OD1-CG 3.23Å; D106-P174 WeakPolarHBondContact OD1-CG 3.22Å; P174-F176 HydrophobicContact CB-CD1 4.37Å; P174-F176 HydrophobicContact CB-CE1 3.93Å; P174-F176 HydrophobicContact CB-CZ 4.02Å; P174-F176 HydrophobicContact CG-CE1 4.26Å; P174-F176 HydrophobicContact CG-CZ 4.08Å; P174-F176 WeakPolarHBondContact O-CD2 3.48Å; P174-F176 PolarHBondContact O-N 3.21Å |
| 175 | L | 58.3 | Low | 69.8 | Low | 159 Ų | 159 | 69.3 Ų | 69.3 | 83% | 0.832 | 36% | 0.364 | S | S | * | . | trans | -78.5 | 65.1 | 178 | -63.8 | -179.3 | 0 | 0 | 0 | 111.1 | P177 | L175-P177 WeakPolarHBondContact O-CD 3.42Å; L175-P177 VanDerWaalsContact O-N 3.15Å | ||
| 176 | F | 58.3 | Low | 69.6 | Low | 19 Ų | 19 | 61.9 Ų | 61.9 | 8% | 0.083 | 34% | 0.336 | C | S | . | . | trans | -49.2 | 120 | 177.3 | -55.2 | -63.5 | 0 | 0 | 0 | 110.8 | D106 L109 E110 L116 R120 V173 P174 N178 | D106-F176 HydrophobicContact CB-CE1 4.22Å; D106-F176 HydrophobicContact CB-CZ 4.04Å; D106-F176 WeakPolarHBondContact O-CE1 3.49Å; D106-F176 VanDerWaalsContact O-CZ 3.29Å; D106-F176 WeakPolarHBondContact O-CZ 3.28Å; L109-F176 HydrophobicContact CB-CD2 4.39Å; L109-F176 HydrophobicContact CB-CE2 3.5Å; L109-F176 HydrophobicContact CB-CZ 3.94Å; L109-F176 HydrophobicContact CD1-CE2 4.47Å; E110-F176 HydrophobicContact CB-CD1 3.68Å; E110-F176 HydrophobicContact CB-CE1 3.87Å; E110-F176 HydrophobicContact CB-CG 4.18Å; E110-F176 HydrophobicContact CB-CZ 4.49Å; E110-F176 HydrophobicContact CG-CD1 3.96Å; E110-F176 HydrophobicContact CG-CG 4.43Å; L116-F176 HydrophobicContact CD1-CD2 3.77Å; L116-F176 HydrophobicContact CD1-CE2 4.12Å; L116-F176 HydrophobicContact CD2-CB 4.32Å; L116-F176 HydrophobicContact CD2-CD2 3.9Å; L116-F176 HydrophobicContact CG-CD2 4.49Å; R120-F176 PolarHBondContact NH2-O 3.47Å; R120-F176 VanDerWaalsContact NH2-O 3.08Å; V173-F176 HydrophobicContact CG1-CD2 4.15Å; V173-F176 HydrophobicContact CG1-CE2 3.47Å; V173-F176 VanDerWaalsContact CG1-CE2 3.47Å; V173-F176 HydrophobicContact CG1-CZ 4.3Å; P174-F176 HydrophobicContact CB-CD1 4.37Å; P174-F176 HydrophobicContact CB-CE1 3.93Å; P174-F176 HydrophobicContact CB-CZ 4.02Å; P174-F176 HydrophobicContact CG-CE1 4.26Å; P174-F176 HydrophobicContact CG-CZ 4.08Å; P174-F176 WeakPolarHBondContact O-CD2 3.48Å; P174-F176 PolarHBondContact O-N 3.21Å; F176-N178 PolarHBondContact O-N 2.76Å | ||
| 177 | P | 54.9 | Low | 69.1 | Low | 69 Ų | 69 | 57.5 Ų | 57.5 | 45% | 0.448 | 32% | 0.317 | S | S | . | . | G | 310 helix | trans | -61.8 | -26.8 | -179.9 | -25.2 | 35.4 | 0 | 0 | 0 | 113.2 | L175 E179 N180 | L175-P177 WeakPolarHBondContact O-CD 3.42Å; L175-P177 VanDerWaalsContact O-N 3.15Å; P177-E179 PolarHBondContact O-N 3.24Å; P177-N180 WeakPolarHBondContact O-CB 3.47Å; P177-N180 PolarHBondContact O-N 3.37Å |
| 178 | N | 52.7 | Low | 68.7 | Low | 87 Ų | 87 | 57.5 Ų | 57.5 | 47% | 0.465 | 32% | 0.317 | S | S | . | . | G | 310 helix | trans | -70.3 | -1.4 | -160.1 | -52.4 | -2.5 | 0 | 0 | 0 | 115.7 | E110 F176 N180 | E110-N178 WeakPolarHBondContact CG-ND2 3.35Å; E110-N178 PolarHBondContact OE1-ND2 2.73Å; F176-N178 PolarHBondContact O-N 2.76Å; N178-N180 VanDerWaalsContact C-N 3.29Å; N178-N180 CarbonylContact C-O 3.57Å |
| 179 | E | 52.6 | Low | 68.1 | Low | 79 Ų | 79 | 56.5 Ų | 56.5 | 37% | 0.369 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -77.3 | -20.6 | 166.6 | -157.1 | -157.4 | 124.6 | 0 | 0 | 111.8 | R120 P177 L181 R249 | R120-E179 IonicContact CZ-OE2 3.2Å; R120-E179 IonicContact NH1-OE2 2.89Å; R120-E179 PolarHBondContact NH1-OE2 2.83Å; P177-E179 PolarHBondContact O-N 3.24Å; E179-L181 PolarHBondContact O-N 3.44Å; E179-R249 IonicContact OE1-CZ 3.54Å; E179-R249 IonicContact OE1-NH1 3.58Å; E179-R249 PolarHBondContact OE1-NH1 3.18Å |
| 180 | N | 54.3 | Low | 67.2 | Low | 26 Ų | 26 | 57.3 Ų | 57.3 | 14% | 0.139 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -72.6 | 117.4 | 152.7 | -64.5 | -39.1 | 0 | 0 | 0 | 106.7 | P177 N178 L290 | P177-N180 WeakPolarHBondContact O-CB 3.47Å; P177-N180 PolarHBondContact O-N 3.37Å; N178-N180 VanDerWaalsContact C-N 3.29Å; N178-N180 CarbonylContact C-O 3.57Å; N180-L290 HydrophobicContact CB-CB 3.91Å; N180-L290 PolarHBondContact ND2-O 3.25Å; N180-L290 PolarHBondContact OD1-O 2.9Å |
| 181 | L | 53.7 | Low | 66.7 | Low | 97 Ų | 97 | 54.5 Ų | 54.5 | 51% | 0.508 | 30% | 0.302 | S | S | . | . | trans | -50 | 156.5 | 165.2 | -90.9 | 65.6 | 0 | 0 | 0 | 109 | E179 S183 | E179-L181 PolarHBondContact O-N 3.44Å; L181-S183 VanDerWaalsContact O-CB 3.27Å; L181-S183 WeakPolarHBondContact O-CB 3.2Å; L181-S183 PolarHBondContact O-N 3.14Å; L181-S183 PolarHBondContact O-OG 2.65Å | ||
| 182 | P | 54.8 | Low | 65.8 | Low | 97 Ų | 97 | 57.7 Ų | 57.7 | 63% | 0.63 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -59.1 | 107.6 | 166 | 30.4 | -36.5 | 0 | 0 | 0 | 106.5 | V266 I270 | P182-V266 HydrophobicContact CB-CG1 3.53Å; P182-V266 WeakPolarHBondContact O-CG1 3.24Å; P182-I270 HydrophobicContact CB-CD1 4.23Å |
| 183 | S | 63.4 | Low | 65 | Low | 10 Ų | 10 | 56.5 Ų | 56.5 | 7% | 0.07 | 29% | 0.294 | C | S | . | . | trans | -126.6 | 128.5 | -160.2 | -65.7 | 0 | 0 | 0 | 0 | 111.4 | L181 M185 A269 L290 I291 G292 | L181-S183 VanDerWaalsContact O-CB 3.27Å; L181-S183 WeakPolarHBondContact O-CB 3.2Å; L181-S183 PolarHBondContact O-N 3.14Å; L181-S183 PolarHBondContact O-OG 2.65Å; S183-M185 PolarHBondContact O-N 2.84Å; S183-M185 VanDerWaalsContact O-N 3.11Å; S183-A269 WeakPolarHBondContact O-CB 3.49Å; S183-L290 WeakPolarHBondContact O-CD2 3.19Å; S183-I291 VanDerWaalsContact CB-O 3.32Å; S183-I291 WeakPolarHBondContact CB-O 3.43Å; S183-G292 WeakPolarHBondContact OG-CA 3.47Å; S183-G292 PolarHBondContact OG-N 3.37Å | ||
| 184 | K | 74.9 | Confident | 63.7 | Low | 96 Ų | 96 | 57.7 Ų | 57.7 | 42% | 0.417 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -61.9 | -16.5 | 174.9 | -64.7 | -166.5 | -179.1 | -157.1 | 0 | 113.8 | E262 F263 E264 V266 | K184-E262 CarbonylContact O-C 3.28Å; K184-E262 WeakPolarHBondContact O-CA 3.49Å; K184-F263 WeakPolarHBondContact CB-O 3.2Å; K184-F263 WeakPolarHBondContact CD-O 3.31Å; K184-F263 PolarHBondContact O-N 2.7Å; K184-E264 WeakPolarHBondContact CD-O 3.46Å; K184-E264 WeakPolarHBondContact CE-O 3.46Å; K184-E264 PolarHBondContact NZ-O 3.22Å; K184-V266 HydrophobicContact CD-CG2 4.49Å; K184-V266 HydrophobicContact CG-CG2 3.76Å |
| 185 | M | 79.1 | Confident | 62.9 | Low | 12 Ų | 12 | 59.1 Ų | 59.1 | 6% | 0.059 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 127.4 | -172.8 | -61.7 | 177.5 | 63.5 | 0 | 0 | 112 | S183 I260 V261 E262 I291 M293 | S183-M185 PolarHBondContact O-N 2.84Å; S183-M185 VanDerWaalsContact O-N 3.11Å; M185-I260 HydrophobicContact CE-CG2 3.5Å; M185-I260 VanDerWaalsContact CE-CG2 3.5Å; M185-V261 CarbonylContact C-O 3.57Å; M185-V261 WeakPolarHBondContact CA-O 3.35Å; M185-E262 HydrophobicContact CG-CB 4.07Å; M185-E262 HydrophobicContact CG-CG 3.74Å; M185-I291 HydrophobicContact CB-CB 4.43Å; M185-I291 PolarHBondContact O-N 3.33Å; M185-M293 HydrophobicContact CE-CE 4.32Å; M185-M293 HydrophobicContact CE-CG 4.43Å; M185-M293 HydrophobicContact CE-SD 3.41Å; M185-M293 WeakPolarHBondContact CE-SD 3.35Å; M185-M293 HydrophobicContact SD-CB 3.85Å; M185-M293 HydrophobicContact SD-CE 4.11Å; M185-M293 HydrophobicContact SD-CG 4.11Å; M185-M293 HydrophobicContact SD-SD 3.61Å; M185-M293 VanDerWaalsContact SD-SD 3.61Å |
| 186 | L | 83.8 | Confident | 62 | Low | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 120.5 | 174.4 | -172.5 | 67.1 | 0 | 0 | 0 | 108.5 | V188 F221 I260 V261 F263 A272 H273 A288 L290 | L186-V188 HydrophobicContact CD2-CG2 4.27Å; L186-V188 HydrophobicContact CG-CG2 4.19Å; L186-F221 HydrophobicContact CD2-CD1 4.16Å; L186-F221 HydrophobicContact CD2-CE1 3.58Å; L186-F221 HydrophobicContact CD2-CZ 3.87Å; L186-I260 WeakPolarHBondContact O-CA 3.35Å; L186-V261 PolarHBondContact N-O 2.89Å; L186-V261 PolarHBondContact O-N 2.97Å; L186-F263 HydrophobicContact CB-CE2 4.03Å; L186-F263 HydrophobicContact CD2-CE2 4.09Å; L186-A272 HydrophobicContact CD2-CB 3.98Å; L186-H273 HydrophobicContact CD1-CB 3.83Å; L186-A288 HydrophobicContact CD1-CB 3.97Å; L186-A288 HydrophobicContact CD2-CB 4.19Å; L186-A288 HydrophobicContact CG-CB 4.12Å; L186-L290 HydrophobicContact CD1-CD2 4.46Å; L186-L290 HydrophobicContact CD1-CG 4.28Å |
| 187 | L | 82.1 | Confident | 61.3 | Low | 1 Ų | 1 | 64.5 Ų | 64.5 | 1% | 0.005 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 138.6 | 164.3 | 177.5 | 74.4 | 0 | 0 | 0 | 108.5 | Y189 Y250 V253 C258 I260 A288 V289 I291 | L187-Y189 HydrophobicContact CD2-CD1 4.31Å; L187-Y250 HydrophobicContact CD2-CD2 4.45Å; L187-V253 HydrophobicContact CD1-CG2 4.1Å; L187-V253 HydrophobicContact CD2-CG2 3.43Å; L187-V253 VanDerWaalsContact CD2-CG2 3.43Å; L187-V253 HydrophobicContact CG-CG2 4.42Å; L187-C258 HydrophobicContact CD1-CB 3.88Å; L187-I260 HydrophobicContact CD1-CD1 4.44Å; L187-I260 HydrophobicContact CD1-CG1 3.86Å; L187-A288 CarbonylContact O-C 3.42Å; L187-A288 WeakPolarHBondContact O-CA 3.5Å; L187-V289 WeakPolarHBondContact CB-O 3.34Å; L187-V289 PolarHBondContact N-O 3.32Å; L187-V289 PolarHBondContact O-N 3.48Å; L187-I291 HydrophobicContact CB-CD1 3.51Å; L187-I291 HydrophobicContact CB-CG1 3.87Å; L187-I291 HydrophobicContact CD1-CD1 4.45Å; L187-I291 HydrophobicContact CD2-CD1 4.05Å; L187-I291 HydrophobicContact CG-CD1 4.21Å |
| 188 | V | 82.2 | Confident | 60.8 | Low | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 130.2 | 176.4 | -173.6 | 0 | 0 | 0 | 0 | 107.1 | L186 L191 L217 F221 C258 A259 V261 M286 K287 A288 | L186-V188 HydrophobicContact CD2-CG2 4.27Å; L186-V188 HydrophobicContact CG-CG2 4.19Å; V188-L191 HydrophobicContact CB-CD2 4.43Å; V188-L191 HydrophobicContact CG1-CD2 3.73Å; V188-L217 HydrophobicContact CG1-CD2 4.17Å; V188-F221 HydrophobicContact CG2-CE2 3.82Å; V188-F221 HydrophobicContact CG2-CZ 3.88Å; V188-C258 CarbonylContact O-C 3.6Å; V188-C258 WeakPolarHBondContact O-CA 3.43Å; V188-A259 HydrophobicContact CB-CB 4.44Å; V188-A259 PolarHBondContact N-O 3.04Å; V188-A259 PolarHBondContact O-N 2.89Å; V188-A259 VanDerWaalsContact O-O 3.14Å; V188-V261 HydrophobicContact CG2-CG2 4.25Å; V188-M286 HydrophobicContact CG1-CE 3.55Å; V188-M286 HydrophobicContact CG1-CG 3.4Å; V188-M286 HydrophobicContact CG1-SD 3.3Å; V188-M286 WeakPolarHBondContact CG1-SD 3.4Å; V188-K287 CarbonylContact C-O 3.5Å; V188-K287 WeakPolarHBondContact CA-O 3.42Å; V188-A288 HydrophobicContact CG2-CB 4.4Å |
| 189 | Y | 74.8 | Confident | 60.3 | Low | 43 Ų | 43 | 69.4 Ų | 69.4 | 17% | 0.169 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 168.4 | 177.9 | 62.6 | -82.4 | 0 | 0 | 0 | 110 | L187 Q252 M286 K287 V289 | L187-Y189 HydrophobicContact CD2-CD1 4.31Å; Y189-Q252 HydrophobicContact CD2-CB 4.37Å; Y189-Q252 HydrophobicContact CD2-CG 4.34Å; Y189-Q252 HydrophobicContact CE2-CG 4.18Å; Y189-M286 WeakPolarHBondContact O-CG 3.44Å; Y189-K287 HydrophobicContact CD1-CB 4.31Å; Y189-K287 WeakPolarHBondContact CD1-O 3.22Å; Y189-K287 HydrophobicContact CD2-CB 4.18Å; Y189-K287 HydrophobicContact CE1-CB 3.81Å; Y189-K287 HydrophobicContact CE2-CB 3.66Å; Y189-K287 HydrophobicContact CE2-CD 4.11Å; Y189-K287 HydrophobicContact CE2-CG 4.49Å; Y189-K287 HydrophobicContact CG-CB 4.47Å; Y189-K287 VanDerWaalsContact CZ-CB 3.45Å; Y189-K287 PolarHBondContact N-O 3.16Å; Y189-K287 PolarHBondContact O-N 3Å; Y189-V289 HydrophobicContact CE1-CG2 3.97Å |
| 190 | D | 69.5 | Low | 59.9 | Low | 44 Ų | 44 | 73.4 Ų | 73.4 | 24% | 0.235 | 38% | 0.376 | C | S | . | . | trans | 62.1 | 53.2 | -170.5 | -149.1 | -7.6 | 0 | 0 | 0 | 112.6 | Y192 M286 | D190-Y192 PolarHBondContact O-N 2.7Å; D190-Y192 VanDerWaalsContact O-N 3.14Å; D190-M286 WeakPolarHBondContact O-CA 3.36Å | ||
| 191 | L | 68.8 | Low | 59.4 | Low | 28 Ų | 28 | 75 Ų | 75 | 15% | 0.147 | 39% | 0.393 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | 3.8 | 179.9 | -57.9 | 172.8 | 0 | 0 | 0 | 113.5 | V188 V213 L217 E257 A259 M286 | V188-L191 HydrophobicContact CB-CD2 4.43Å; V188-L191 HydrophobicContact CG1-CD2 3.73Å; L191-V213 HydrophobicContact CD1-CG1 4.03Å; L191-L217 HydrophobicContact CD2-CD2 4.13Å; L191-E257 HydrophobicContact CD1-CB 4.46Å; L191-A259 HydrophobicContact CD1-CB 4.02Å; L191-A259 HydrophobicContact CD2-CB 4.35Å; L191-M286 HydrophobicContact CD2-CG 4.15Å; L191-M286 HydrophobicContact CD2-SD 3.64Å |
| 192 | Y | 57.9 | Low | 58.9 | Low | 133 Ų | 133 | 76 Ų | 76 | 52% | 0.522 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | 4.2 | -158 | -92.1 | -60.3 | 0 | 0 | 0 | 116.6 | D190 S194 E257 | D190-Y192 PolarHBondContact O-N 2.7Å; D190-Y192 VanDerWaalsContact O-N 3.14Å; Y192-S194 VanDerWaalsContact C-N 3.35Å; Y192-S194 PolarHBondContact O-N 3.02Å; Y192-E257 HydrophobicContact CD2-CB 4.45Å; Y192-E257 HydrophobicContact CE2-CB 3.82Å; Y192-E257 HydrophobicContact CE2-CG 3.93Å; Y192-E257 WeakPolarHBondContact CE2-OE2 3.21Å; Y192-E257 VanDerWaalsContact CZ-OE2 3.24Å; Y192-E257 VanDerWaalsContact OH-CD 3.26Å; Y192-E257 PolarHBondContact OH-OE2 2.9Å |
| 193 | L | 54.8 | Low | 58.4 | Low | 93 Ų | 93 | 77.6 Ų | 77.6 | 49% | 0.487 | 41% | 0.414 | S | S | . | . | trans | -87.1 | 60.7 | -177.8 | -116 | 98.3 | 0 | 0 | 0 | 115.9 | E284 | L193-E284 HydrophobicContact CD1-CB 4Å; L193-E284 WeakPolarHBondContact CD1-O 3.41Å; L193-E284 HydrophobicContact CD2-CB 3.68Å; L193-E284 WeakPolarHBondContact CD2-O 3.27Å; L193-E284 HydrophobicContact CG-CB 4.45Å | ||
| 194 | S | 41.9 | Very low | 57.6 | Low | 64 Ų | 64 | 83.6 Ų | 83.6 | 45% | 0.448 | 44% | 0.44 | S | S | . | . | trans | -140 | 72.3 | 148.9 | 58.4 | 0 | 0 | 0 | 0 | 113.5 | Y192 K196 L197 | Y192-S194 VanDerWaalsContact C-N 3.35Å; Y192-S194 PolarHBondContact O-N 3.02Å; S194-K196 PolarHBondContact O-N 3.04Å; S194-L197 PolarHBondContact O-N 2.8Å; S194-L197 VanDerWaalsContact O-N 3.07Å | ||
| 195 | P | 48.5 | Very low | 56.1 | Low | 84 Ų | 84 | 87 Ų | 87 | 55% | 0.545 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -9.7 | 178.2 | -28.5 | 37.1 | 0 | 0 | 0 | 116.5 | W198 | P195-W198 PolarHBondContact O-NE1 2.76Š|
| 196 | K | 39 | Very low | 54.9 | Low | 195 Ų | 195 | 93.3 Ų | 93.3 | 85% | 0.848 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | -12 | 177.6 | -65.8 | -176.6 | 177.6 | 179.5 | 0 | 114.5 | S194 | S194-K196 PolarHBondContact O-N 3.04Š|
| 197 | L | 44 | Very low | 53.5 | Low | 97 Ų | 97 | 95.4 Ų | 95.4 | 51% | 0.508 | 51% | 0.511 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.5 | -12.2 | -176.3 | -97.2 | 169.8 | 0 | 0 | 0 | 115.7 | S194 | S194-L197 PolarHBondContact O-N 2.8Å; S194-L197 VanDerWaalsContact O-N 3.07Å |
| 198 | W | 45.3 | Very low | 52.2 | Low | 185 Ų | 185 | 103.4 Ų | 103.4 | 70% | 0.701 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | -31.7 | 173.6 | 70.7 | -82.5 | 0 | 0 | 0 | 112.9 | P195 L200 A201 | P195-W198 PolarHBondContact O-NE1 2.76Å; W198-L200 PolarHBondContact O-N 3.22Å; W198-L200 VanDerWaalsContact O-N 3.14Å; W198-A201 WeakPolarHBondContact O-CB 3.23Å; W198-A201 PolarHBondContact O-N 2.8Å |
| 199 | A | 42.1 | Very low | 51.3 | Low | 73 Ų | 73 | 107.3 Ų | 107.3 | 60% | 0.603 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.3 | -19.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 200 | L | 44.3 | Very low | 50.8 | Low | 163 Ų | 163 | 108 Ų | 108 | 85% | 0.853 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.9 | -2.8 | 173 | -76 | 170.7 | 0 | 0 | 0 | 113.6 | W198 T202 | W198-L200 PolarHBondContact O-N 3.22Å; W198-L200 VanDerWaalsContact O-N 3.14Å; L200-T202 PolarHBondContact O-N 2.94Å |
| 201 | A | 42.6 | Very low | 50.8 | Low | 61 Ų | 61 | 110.5 Ų | 110.5 | 50% | 0.504 | 58% | 0.58 | S | S | . | * | trans | -90.7 | 101.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | W198 | W198-A201 WeakPolarHBondContact O-CB 3.23Å; W198-A201 PolarHBondContact O-N 2.8Å | ||
| 202 | T | 43.1 | Very low | 51 | Low | 118 Ų | 118 | 113.7 Ų | 113.7 | 72% | 0.724 | 59% | 0.593 | S | S | * | * | trans | -55.1 | 148.8 | 168.4 | 32.8 | 0 | 0 | 0 | 0 | 111 | L200 Q204 | L200-T202 PolarHBondContact O-N 2.94Å; T202-Q204 VanDerWaalsContact C-N 3.28Å; T202-Q204 PolarHBondContact O-N 3.3Å | ||
| 203 | P | 44.8 | Very low | 51.8 | Low | 130 Ų | 130 | 108.7 Ų | 108.7 | 84% | 0.844 | 58% | 0.576 | S | S | * | * | S | Bend | trans | -74.3 | 75.6 | -168.4 | 30.3 | -36.9 | 0 | 0 | 0 | 112.3 | ||
| 204 | Q | 45.5 | Very low | 53 | Low | 135 Ų | 135 | 106.9 Ų | 106.9 | 63% | 0.631 | 57% | 0.566 | S | S | * | * | trans | -123.5 | 103.2 | 179.5 | -84.5 | -69 | -7.3 | 0 | 0 | 111.9 | T202 | T202-Q204 VanDerWaalsContact C-N 3.28Å; T202-Q204 PolarHBondContact O-N 3.3Å | ||
| 205 | K | 44.2 | Very low | 54.9 | Low | 167 Ų | 167 | 109.5 Ų | 109.5 | 73% | 0.726 | 57% | 0.571 | S | S | * | * | trans | 63.6 | 107.9 | 165.8 | -58 | -179.4 | -177 | -179.7 | 0 | 115.4 | G207 R208 | K205-G207 PolarHBondContact O-N 3.04Å; K205-R208 PolarHBondContact O-N 2.83Å | ||
| 206 | N | 53.1 | Low | 56.4 | Low | 145 Ų | 145 | 111.1 Ų | 111.1 | 78% | 0.775 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.4 | 12.8 | -174.5 | -50.7 | -1.9 | 0 | 0 | 0 | 116.7 | ||
| 207 | G | 54.7 | Low | 58.5 | Low | 45 Ų | 45 | 102 Ų | 102 | 46% | 0.464 | 53% | 0.532 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | -40.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | K205 V209 Q210 E211 | K205-G207 PolarHBondContact O-N 3.04Å; G207-V209 PolarHBondContact O-N 3.25Å; G207-V209 VanDerWaalsContact O-N 3.08Å; G207-Q210 PolarHBondContact O-N 3.04Å; G207-E211 PolarHBondContact O-N 2.85Å |
| 208 | R | 55.2 | Low | 60.5 | Low | 168 Ų | 168 | 101.2 Ų | 101.2 | 63% | 0.634 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61.9 | -22 | -172.8 | -74 | -167 | 172.5 | -80.7 | 14.5 | 114.8 | K205 E211 K212 | K205-R208 PolarHBondContact O-N 2.83Å; R208-E211 IonicContact NH1-OE2 3.25Å; R208-E211 PolarHBondContact NH1-OE2 2.99Å; R208-K212 PolarHBondContact O-N 3.18Å |
| 209 | V | 63.9 | Low | 62.4 | Low | 82 Ų | 82 | 100.6 Ų | 100.6 | 50% | 0.497 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -69.1 | -41.6 | 175.5 | -176.7 | 0 | 0 | 0 | 0 | 110.7 | G207 V213 | G207-V209 PolarHBondContact O-N 3.25Å; G207-V209 VanDerWaalsContact O-N 3.08Å; V209-V213 WeakPolarHBondContact O-CG2 3.21Å; V209-V213 PolarHBondContact O-N 3.19Å; V209-V213 VanDerWaalsContact O-N 3.12Å |
| 210 | Q | 64.8 | Low | 64.4 | Low | 59 Ų | 59 | 99.8 Ų | 99.8 | 28% | 0.276 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -72.2 | -32.1 | 178.2 | -61.3 | -166.6 | -98.4 | 0 | 0 | 112.3 | G207 V213 M214 I232 K234 | G207-Q210 PolarHBondContact O-N 3.04Å; Q210-V213 PolarHBondContact O-N 2.92Å; Q210-M214 VanDerWaalsContact O-CB 3.28Å; Q210-M214 WeakPolarHBondContact O-CB 3.48Å; Q210-M214 PolarHBondContact O-N 2.98Å; Q210-I232 HydrophobicContact CB-CD1 4.12Å; Q210-K234 VanDerWaalsContact NE2-CE 3.35Å |
| 211 | E | 69.2 | Low | 66.3 | Low | 96 Ų | 96 | 92 Ų | 92 | 45% | 0.449 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -58.6 | -53.5 | 172.8 | -173.5 | 172.9 | -123.7 | 0 | 0 | 110.7 | G207 R208 V213 M214 E215 | G207-E211 PolarHBondContact O-N 2.85Å; R208-E211 IonicContact NH1-OE2 3.25Å; R208-E211 PolarHBondContact NH1-OE2 2.99Å; E211-V213 PolarHBondContact O-N 2.8Å; E211-M214 WeakPolarHBondContact O-CB 3.26Å; E211-M214 PolarHBondContact O-N 3.07Å; E211-M214 VanDerWaalsContact O-N 3.16Å; E211-E215 WeakPolarHBondContact O-CG 3.38Å; E211-E215 PolarHBondContact O-N 2.93Å |
| 212 | K | 72.8 | Confident | 68.3 | Low | 95 Ų | 95 | 91.3 Ų | 91.3 | 41% | 0.413 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -60 | -43.7 | 175.2 | -70.2 | -177.3 | 177.2 | -172.3 | 0 | 113.3 | R208 M214 E215 H216 | R208-K212 PolarHBondContact O-N 3.18Å; K212-M214 VanDerWaalsContact C-N 3.3Å; K212-M214 PolarHBondContact O-N 2.85Å; K212-E215 PolarHBondContact O-N 3.15Å; K212-H216 PolarHBondContact O-CD2 3.24Å; K212-H216 PolarHBondContact O-N 2.97Å |
| 213 | V | 74.9 | Confident | 70.5 | Confident | 28 Ų | 28 | 90.8 Ų | 90.8 | 17% | 0.17 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -62.6 | -39.5 | 177.1 | 169 | 0 | 0 | 0 | 0 | 110.8 | L191 V209 Q210 E211 H216 L217 I232 | L191-V213 HydrophobicContact CD1-CG1 4.03Å; V209-V213 WeakPolarHBondContact O-CG2 3.21Å; V209-V213 PolarHBondContact O-N 3.19Å; V209-V213 VanDerWaalsContact O-N 3.12Å; Q210-V213 PolarHBondContact O-N 2.92Å; E211-V213 PolarHBondContact O-N 2.8Å; V213-H216 PolarHBondContact O-N 3.5Å; V213-L217 HydrophobicContact CG1-CD1 3.87Å; V213-L217 HydrophobicContact CG1-CG 4.4Å; V213-L217 WeakPolarHBondContact O-CB 3.27Å; V213-L217 WeakPolarHBondContact O-CG 3.16Å; V213-L217 PolarHBondContact O-N 3.12Å; V213-I232 HydrophobicContact CB-CD1 4.42Å; V213-I232 HydrophobicContact CG1-CD1 4.08Å |
| 214 | M | 80 | Confident | 72.4 | Confident | 55 Ų | 55 | 86.9 Ų | 86.9 | 27% | 0.271 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -62.1 | -47.8 | 173.9 | -173.7 | 64.7 | 75.9 | 0 | 0 | 111.7 | Q210 E211 K212 H216 L217 L218 V230 I232 | Q210-M214 VanDerWaalsContact O-CB 3.28Å; Q210-M214 WeakPolarHBondContact O-CB 3.48Å; Q210-M214 PolarHBondContact O-N 2.98Å; E211-M214 WeakPolarHBondContact O-CB 3.26Å; E211-M214 PolarHBondContact O-N 3.07Å; E211-M214 VanDerWaalsContact O-N 3.16Å; K212-M214 VanDerWaalsContact C-N 3.3Å; K212-M214 PolarHBondContact O-N 2.85Å; M214-H216 VanDerWaalsContact C-N 3.35Å; M214-H216 PolarHBondContact O-N 3.15Å; M214-L217 PolarHBondContact O-N 3.32Å; M214-L218 HydrophobicContact CG-CD1 3.91Å; M214-L218 HydrophobicContact CG-CG 4.36Å; M214-L218 WeakPolarHBondContact O-CB 3.32Å; M214-L218 VanDerWaalsContact O-CG 3.29Å; M214-L218 WeakPolarHBondContact O-CG 2.95Å; M214-L218 PolarHBondContact O-N 3.24Å; M214-L218 HydrophobicContact SD-CD1 4.32Å; M214-L218 HydrophobicContact SD-CG 4.31Å; M214-V230 HydrophobicContact CE-CB 3.86Å; M214-V230 HydrophobicContact CE-CG1 3.85Å; M214-V230 HydrophobicContact SD-CB 3.49Å; M214-V230 WeakPolarHBondContact SD-CB 3.35Å; M214-V230 HydrophobicContact SD-CG1 3.52Å; M214-V230 VanDerWaalsContact SD-CG1 3.52Å; M214-V230 HydrophobicContact SD-CG2 4.05Å; M214-I232 HydrophobicContact CB-CD1 4.38Å; M214-I232 HydrophobicContact CE-CD1 4.02Å; M214-I232 HydrophobicContact CE-CG1 4.32Å |
| 215 | E | 81.1 | Confident | 74.3 | Confident | 118 Ų | 118 | 81.4 Ų | 81.4 | 55% | 0.551 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -58.1 | -44.6 | 176.1 | -70.3 | 171.3 | 166.8 | 0 | 0 | 112 | E211 K212 L218 K219 | E211-E215 WeakPolarHBondContact O-CG 3.38Å; E211-E215 PolarHBondContact O-N 2.93Å; K212-E215 PolarHBondContact O-N 3.15Å; E215-L218 PolarHBondContact O-N 2.84Å; E215-K219 WeakPolarHBondContact O-CB 3.15Å; E215-K219 PolarHBondContact O-N 3.29Å |
| 216 | H | 80.7 | Confident | 76.4 | Confident | 119 Ų | 119 | 77.8 Ų | 77.8 | 55% | 0.551 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -63.7 | -44 | 176.3 | -84.4 | -74.4 | 0 | 0 | 0 | 112.4 | K212 V213 M214 K219 L220 | K212-H216 PolarHBondContact O-CD2 3.24Å; K212-H216 PolarHBondContact O-N 2.97Å; V213-H216 PolarHBondContact O-N 3.5Å; M214-H216 VanDerWaalsContact C-N 3.35Å; M214-H216 PolarHBondContact O-N 3.15Å; H216-K219 PolarHBondContact O-N 2.98Å; H216-L220 VanDerWaalsContact O-CB 3.29Å; H216-L220 WeakPolarHBondContact O-CB 3.13Å; H216-L220 PolarHBondContact O-N 3.05Å |
| 217 | L | 83 | Confident | 78.1 | Confident | 4 Ų | 4 | 72.7 Ų | 72.7 | 2% | 0.021 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -63.8 | -46 | 176.5 | -70.6 | 167.1 | 0 | 0 | 0 | 111.5 | V188 L191 V213 M214 K219 L220 F221 V230 A259 M286 | V188-L217 HydrophobicContact CG1-CD2 4.17Å; L191-L217 HydrophobicContact CD2-CD2 4.13Å; V213-L217 HydrophobicContact CG1-CD1 3.87Å; V213-L217 HydrophobicContact CG1-CG 4.4Å; V213-L217 WeakPolarHBondContact O-CB 3.27Å; V213-L217 WeakPolarHBondContact O-CG 3.16Å; V213-L217 PolarHBondContact O-N 3.12Å; M214-L217 PolarHBondContact O-N 3.32Å; L217-K219 PolarHBondContact O-N 3.14Å; L217-L220 PolarHBondContact O-N 3.04Å; L217-F221 HydrophobicContact CB-CD2 4.42Å; L217-F221 HydrophobicContact CD2-CD2 4.09Å; L217-F221 HydrophobicContact CD2-CE2 3.68Å; L217-F221 WeakPolarHBondContact O-CB 3.2Å; L217-F221 VanDerWaalsContact O-CD2 3.3Å; L217-F221 WeakPolarHBondContact O-CD2 3.44Å; L217-F221 PolarHBondContact O-N 3.36Å; L217-V230 HydrophobicContact CD1-CG1 4.12Å; L217-A259 HydrophobicContact CD1-CB 3.48Å; L217-A259 VanDerWaalsContact CD1-CB 3.48Å; L217-A259 HydrophobicContact CD2-CB 4.45Å; L217-M286 HydrophobicContact CD2-CE 4.41Å; L217-M286 HydrophobicContact CD2-SD 4.19Å |
| 218 | L | 84.8 | Confident | 79.7 | Confident | 80 Ų | 80 | 74.4 Ų | 74.4 | 42% | 0.419 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -64 | -39.7 | 177.8 | -69.6 | 173.3 | 0 | 0 | 0 | 111.8 | M214 E215 G222 I227 V230 | M214-L218 HydrophobicContact CG-CD1 3.91Å; M214-L218 HydrophobicContact CG-CG 4.36Å; M214-L218 WeakPolarHBondContact O-CB 3.32Å; M214-L218 VanDerWaalsContact O-CG 3.29Å; M214-L218 WeakPolarHBondContact O-CG 2.95Å; M214-L218 PolarHBondContact O-N 3.24Å; M214-L218 HydrophobicContact SD-CD1 4.32Å; M214-L218 HydrophobicContact SD-CG 4.31Å; E215-L218 PolarHBondContact O-N 2.84Å; L218-G222 WeakPolarHBondContact O-CA 3.49Å; L218-G222 PolarHBondContact O-N 2.92Å; L218-I227 HydrophobicContact CD2-CD1 3.81Å; L218-I227 HydrophobicContact CD2-CG2 4.39Å; L218-V230 HydrophobicContact CD2-CG2 3.98Å |
| 219 | K | 85.2 | Confident | 80.9 | Confident | 171 Ų | 171 | 68.4 Ų | 68.4 | 74% | 0.743 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -69.9 | -36.9 | 177.7 | -175.5 | 172.7 | -179.4 | 176.6 | 0 | 113 | E215 H216 L217 | E215-K219 WeakPolarHBondContact O-CB 3.15Å; E215-K219 PolarHBondContact O-N 3.29Å; H216-K219 PolarHBondContact O-N 2.98Å; L217-K219 PolarHBondContact O-N 3.14Å |
| 220 | L | 84 | Confident | 82 | Confident | 57 Ų | 57 | 65.7 Ų | 65.7 | 30% | 0.298 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -78 | -38.4 | 179.2 | -172.6 | 68.9 | 0 | 0 | 0 | 112.3 | H216 L217 T223 F224 F275 M276 M286 | H216-L220 VanDerWaalsContact O-CB 3.29Å; H216-L220 WeakPolarHBondContact O-CB 3.13Å; H216-L220 PolarHBondContact O-N 3.05Å; L217-L220 PolarHBondContact O-N 3.04Å; L220-T223 PolarHBondContact O-OG1 3.46Å; L220-F224 WeakPolarHBondContact O-CD2 3.37Å; L220-F224 WeakPolarHBondContact O-CE2 3.46Å; L220-F275 HydrophobicContact CD1-CE1 4.42Å; L220-M276 HydrophobicContact CD2-SD 3.8Å; L220-M286 HydrophobicContact CD2-CE 3.5Å |
| 221 | F | 85.6 | Confident | 82.8 | Confident | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -93 | -23 | -175.7 | -68.8 | -59 | 0 | 0 | 0 | 114.2 | L186 V188 L217 T223 F224 G225 I227 V261 F263 A272 M276 M286 | L186-F221 HydrophobicContact CD2-CD1 4.16Å; L186-F221 HydrophobicContact CD2-CE1 3.58Å; L186-F221 HydrophobicContact CD2-CZ 3.87Å; V188-F221 HydrophobicContact CG2-CE2 3.82Å; V188-F221 HydrophobicContact CG2-CZ 3.88Å; L217-F221 HydrophobicContact CB-CD2 4.42Å; L217-F221 HydrophobicContact CD2-CD2 4.09Å; L217-F221 HydrophobicContact CD2-CE2 3.68Å; L217-F221 WeakPolarHBondContact O-CB 3.2Å; L217-F221 VanDerWaalsContact O-CD2 3.3Å; L217-F221 WeakPolarHBondContact O-CD2 3.44Å; L217-F221 PolarHBondContact O-N 3.36Å; F221-T223 PolarHBondContact O-N 2.89Å; F221-F224 HydrophobicContact CD1-CD2 4.24Å; F221-F224 PolarHBondContact O-N 3.1Å; F221-G225 PolarHBondContact O-N 3.43Å; F221-I227 HydrophobicContact CB-CD1 3.75Å; F221-V261 HydrophobicContact CB-CG1 4.36Å; F221-V261 HydrophobicContact CD2-CG1 4.47Å; F221-V261 HydrophobicContact CD2-CG2 3.88Å; F221-V261 HydrophobicContact CE2-CG2 4.17Å; F221-V261 HydrophobicContact CG-CG1 4.49Å; F221-F263 HydrophobicContact CB-CE1 4.03Å; F221-F263 HydrophobicContact CB-CZ 3.79Å; F221-F263 AromaticContact CD1-CZ 3.91Å; F221-F263 HydrophobicContact CD1-CZ 3.91Å; F221-F263 HydrophobicContact CG-CZ 4.03Å; F221-A272 HydrophobicContact CD1-CB 3.74Å; F221-A272 HydrophobicContact CE1-CB 3.94Å; F221-M276 HydrophobicContact CE1-CG 3.94Å; F221-M276 HydrophobicContact CE1-SD 4.19Å; F221-M276 HydrophobicContact CZ-CG 4.07Å; F221-M276 HydrophobicContact CZ-SD 4.08Å; F221-M286 HydrophobicContact CE2-CE 3.97Å; F221-M286 HydrophobicContact CZ-CE 3.88Å |
| 222 | G | 84.7 | Confident | 83.4 | Confident | 46 Ų | 46 | 64.5 Ų | 64.5 | 47% | 0.474 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -12.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | L218 | L218-G222 WeakPolarHBondContact O-CA 3.49Å; L218-G222 PolarHBondContact O-N 2.92Å |
| 223 | T | 87.7 | Confident | 83.5 | Confident | 106 Ų | 106 | 61 Ų | 61 | 65% | 0.65 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -24.7 | 170 | 50.7 | 0 | 0 | 0 | 0 | 113 | L220 F221 | L220-T223 PolarHBondContact O-OG1 3.46Å; F221-T223 PolarHBondContact O-N 2.89Å |
| 224 | F | 85.3 | Confident | 83.4 | Confident | 49 Ų | 49 | 62.8 Ų | 62.8 | 22% | 0.215 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | -19.1 | -178.1 | -56.9 | -67.6 | 0 | 0 | 0 | 113.2 | L220 F221 A268 A272 F275 | L220-F224 WeakPolarHBondContact O-CD2 3.37Å; L220-F224 WeakPolarHBondContact O-CE2 3.46Å; F221-F224 HydrophobicContact CD1-CD2 4.24Å; F221-F224 PolarHBondContact O-N 3.1Å; F224-A268 WeakPolarHBondContact O-CA 3.48Å; F224-A268 VanDerWaalsContact O-CB 3.23Å; F224-A268 WeakPolarHBondContact O-CB 3.22Å; F224-A272 HydrophobicContact CB-CB 4.08Å; F224-A272 HydrophobicContact CD2-CB 4Å; F224-A272 HydrophobicContact CG-CB 4.13Å; F224-F275 HydrophobicContact CE1-CB 3.96Å; F224-F275 AromaticContact CE1-CD2 3.95Å; F224-F275 HydrophobicContact CE1-CD2 3.95Å; F224-F275 AromaticContact CE1-CG 3.92Å; F224-F275 HydrophobicContact CE1-CG 3.92Å; F224-F275 HydrophobicContact CE2-CB 4.35Å; F224-F275 HydrophobicContact CE2-CD1 4.01Å; F224-F275 HydrophobicContact CE2-CG 4.09Å; F224-F275 HydrophobicContact CZ-CB 3.7Å; F224-F275 AromaticContact CZ-CD1 3.61Å; F224-F275 HydrophobicContact CZ-CD1 3.61Å; F224-F275 AromaticContact CZ-CD2 3.57Å; F224-F275 HydrophobicContact CZ-CD2 3.57Å; F224-F275 HydrophobicContact CZ-CE1 4.12Å; F224-F275 HydrophobicContact CZ-CE2 4.07Å; F224-F275 AromaticContact CZ-CG 3.31Å; F224-F275 HydrophobicContact CZ-CG 3.31Å; F224-F275 HydrophobicContact CZ-CZ 4.32Å |
| 225 | G | 85.6 | Confident | 82.8 | Confident | 20 Ų | 20 | 63 Ų | 63 | 21% | 0.206 | 34% | 0.343 | C | S | . | . | S | Bend | trans | 162.5 | -178.7 | 169.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | F221 | F221-G225 PolarHBondContact O-N 3.43Š|
| 226 | V | 87.3 | Confident | 81.7 | Confident | 90 Ų | 90 | 61 Ų | 61 | 55% | 0.545 | 35% | 0.354 | S | S | . | . | trans | -68.4 | 132.1 | -178.4 | -178.4 | 0 | 0 | 0 | 0 | 110.8 | F263 E264 | V226-F263 CarbonylContact O-C 3.39Å; V226-F263 WeakPolarHBondContact O-CA 3.33Å; V226-E264 HydrophobicContact CB-CB 4.13Å; V226-E264 HydrophobicContact CG1-CB 4.17Å; V226-E264 PolarHBondContact O-N 2.92Å | ||
| 227 | I | 90.4 | Very high | 80.7 | Confident | 38 Ų | 38 | 64.2 Ų | 64.2 | 20% | 0.195 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 121.8 | -179.4 | -58.6 | 169.1 | 0 | 0 | 0 | 109.6 | L218 F221 V230 V261 F263 | L218-I227 HydrophobicContact CD2-CD1 3.81Å; L218-I227 HydrophobicContact CD2-CG2 4.39Å; F221-I227 HydrophobicContact CB-CD1 3.75Å; I227-V230 HydrophobicContact CG2-CG2 3.56Å; I227-V261 HydrophobicContact CD1-CG1 4.31Å; I227-V261 HydrophobicContact CG1-CG1 4.23Å; I227-V261 HydrophobicContact CG2-CG1 3.9Å; I227-F263 HydrophobicContact CG1-CD1 4.1Å; I227-F263 HydrophobicContact CG1-CE1 4.06Å |
| 228 | S | 87.1 | Confident | 79.1 | Confident | 82 Ų | 82 | 72 Ų | 72 | 57% | 0.573 | 40% | 0.398 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.1 | -37 | 179.2 | -177.9 | 0 | 0 | 0 | 0 | 113.2 | E262 | S228-E262 CarbonylContact C-O 3.52Å; S228-E262 WeakPolarHBondContact CA-O 3.3Å; S228-E262 WeakPolarHBondContact CB-O 3.4Å; S228-E262 PolarHBondContact N-O 3.03Å |
| 229 | S | 81.9 | Confident | 78.1 | Confident | 42 Ų | 42 | 69.3 Ų | 69.3 | 29% | 0.294 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.6 | 144.8 | 178.2 | -168 | 0 | 0 | 0 | 0 | 111.5 | R231 E262 | S229-R231 PolarHBondContact OG-NH1 2.85Å; S229-E262 PolarHBondContact N-O 2.86Å; S229-E262 PolarHBondContact O-N 2.82Å |
| 230 | V | 85.4 | Confident | 77 | Confident | 25 Ų | 25 | 64.2 Ų | 64.2 | 15% | 0.152 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 131.3 | 168.3 | -174.2 | 0 | 0 | 0 | 0 | 109.4 | M214 L217 L218 I227 I260 V261 | M214-V230 HydrophobicContact CE-CB 3.86Å; M214-V230 HydrophobicContact CE-CG1 3.85Å; M214-V230 HydrophobicContact SD-CB 3.49Å; M214-V230 WeakPolarHBondContact SD-CB 3.35Å; M214-V230 HydrophobicContact SD-CG1 3.52Å; M214-V230 VanDerWaalsContact SD-CG1 3.52Å; M214-V230 HydrophobicContact SD-CG2 4.05Å; L217-V230 HydrophobicContact CD1-CG1 4.12Å; L218-V230 HydrophobicContact CD2-CG2 3.98Å; I227-V230 HydrophobicContact CG2-CG2 3.56Å; V230-I260 CarbonylContact C-O 3.58Å; V230-I260 WeakPolarHBondContact CA-O 3.44Å; V230-V261 HydrophobicContact CG1-CG2 4.27Å; V230-V261 HydrophobicContact CG2-CG1 4.41Å; V230-V261 HydrophobicContact CG2-CG2 4.43Å |
| 231 | R | 81.2 | Confident | 75.8 | Confident | 93 Ų | 93 | 66.2 Ų | 66.2 | 35% | 0.351 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 108.4 | -177.2 | -61.1 | -170.7 | -73.3 | -89.3 | 7.7 | 110.3 | S229 A259 I260 E262 | S229-R231 PolarHBondContact OG-NH1 2.85Å; R231-A259 CarbonylContact O-C 3.58Å; R231-A259 WeakPolarHBondContact O-CA 3.26Å; R231-I260 PolarHBondContact N-O 3.33Å; R231-I260 PolarHBondContact O-N 3.03Å; R231-E262 IonicContact CZ-OE2 3.79Å; R231-E262 VanDerWaalsContact CZ-OE2 3.3Å; R231-E262 IonicContact NH1-OE2 2.8Å; R231-E262 PolarHBondContact NH1-OE2 2.77Å; R231-E262 IonicContact NH2-OE2 3.11Å; R231-E262 PolarHBondContact NH2-OE2 3.43Å |
| 232 | I | 82.4 | Confident | 74.6 | Confident | 36 Ų | 36 | 68.3 Ų | 68.3 | 19% | 0.185 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 130.6 | 176.2 | -60 | 166.9 | 0 | 0 | 0 | 109.7 | Q210 V213 M214 A259 | Q210-I232 HydrophobicContact CB-CD1 4.12Å; V213-I232 HydrophobicContact CB-CD1 4.42Å; V213-I232 HydrophobicContact CG1-CD1 4.08Å; M214-I232 HydrophobicContact CB-CD1 4.38Å; M214-I232 HydrophobicContact CE-CD1 4.02Å; M214-I232 HydrophobicContact CE-CG1 4.32Å; I232-A259 HydrophobicContact CG1-CB 4.38Å |
| 233 | L | 75.1 | Confident | 73.7 | Confident | 21 Ų | 21 | 66.6 Ų | 66.6 | 11% | 0.11 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 112.7 | -170.9 | -177.4 | 70 | 0 | 0 | 0 | 109.8 | L239 I243 V253 C258 | L233-L239 HydrophobicContact CD1-CD2 3.82Å; L233-L239 HydrophobicContact CD2-CD2 3.94Å; L233-L239 HydrophobicContact CG-CD2 4.13Å; L233-I243 HydrophobicContact CD1-CD1 4.47Å; L233-I243 HydrophobicContact CD2-CD1 4.42Å; L233-I243 HydrophobicContact CD2-CG2 3.97Å; L233-V253 HydrophobicContact CD2-CG1 3.85Å; L233-C258 WeakPolarHBondContact CA-O 3.24Å; L233-C258 HydrophobicContact CB-CB 4.4Å; L233-C258 WeakPolarHBondContact CB-O 3.49Å; L233-C258 HydrophobicContact CD2-CB 4.28Å; L233-C258 PolarHBondContact N-O 2.89Å; L233-C258 PolarHBondContact O-N 3.16Å; L233-C258 VanDerWaalsContact O-N 3.16Å |
| 234 | K | 72.4 | Confident | 72.4 | Confident | 67 Ų | 67 | 68.3 Ų | 68.3 | 29% | 0.291 | 37% | 0.37 | S | S | . | . | trans | -79.5 | 148.2 | 179.4 | -62.4 | -163.3 | 177.4 | -177.7 | 0 | 111.6 | Q210 | Q210-K234 VanDerWaalsContact NE2-CE 3.35Š| ||
| 235 | P | 67.3 | Low | 71.2 | Confident | 58 Ų | 58 | 73.4 Ų | 73.4 | 38% | 0.377 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | 152.9 | -178.8 | 34.2 | -36.4 | 0 | 0 | 0 | 109.2 | R237 G254 E257 | P235-R237 PolarHBondContact O-N 2.85Å; P235-G254 WeakPolarHBondContact CA-O 3.49Å; P235-E257 VanDerWaalsContact CD-CG 3.43Å; P235-E257 HydrophobicContact CG-CG 4.32Å |
| 236 | G | 58.2 | Low | 70.2 | Confident | 77 Ų | 77 | 73.3 Ų | 73.3 | 79% | 0.794 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.8 | 4.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | G254 | G236-G254 PolarHBondContact N-O 2.91Š|
| 237 | R | 60.5 | Low | 68.9 | Low | 186 Ų | 186 | 70.8 Ų | 70.8 | 70% | 0.702 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -90.7 | 147.9 | 167 | -72.3 | -162.3 | 172 | -137.4 | -4.6 | 110.8 | P235 L239 | P235-R237 PolarHBondContact O-N 2.85Å; R237-L239 PolarHBondContact O-N 3.01Å |
| 238 | E | 50 | Low | 67.4 | Low | 167 Ų | 167 | 74.2 Ų | 74.2 | 78% | 0.78 | 40% | 0.396 | S | S | * | . | P | Polyproline II helix | trans | -56.8 | 126.4 | 174.5 | -81 | -141.8 | 122.3 | 0 | 0 | 110.9 | R244 | E238-R244 IonicContact OE1-NH1 2.9Š|
| 239 | L | 63.8 | Low | 66.1 | Low | 24 Ų | 24 | 76.6 Ų | 76.6 | 13% | 0.126 | 39% | 0.393 | C | S | . | . | P | Polyproline II helix | trans | -76.6 | 137.6 | -178.4 | -50 | -179.5 | 0 | 0 | 0 | 109.6 | L233 R237 I243 R244 S247 V253 | L233-L239 HydrophobicContact CD1-CD2 3.82Å; L233-L239 HydrophobicContact CD2-CD2 3.94Å; L233-L239 HydrophobicContact CG-CD2 4.13Å; R237-L239 PolarHBondContact O-N 3.01Å; L239-I243 HydrophobicContact CB-CB 4.29Å; L239-I243 HydrophobicContact CB-CG2 4.27Å; L239-I243 HydrophobicContact CD1-CG2 4.34Å; L239-R244 HydrophobicContact CB-CG 3.76Å; L239-R244 VanDerWaalsContact O-CD 3.27Å; L239-R244 WeakPolarHBondContact O-CD 3.34Å; L239-R244 VanDerWaalsContact O-CG 3.23Å; L239-R244 WeakPolarHBondContact O-CG 3.49Å; L239-S247 VanDerWaalsContact CD1-CB 3.44Å; L239-V253 HydrophobicContact CD1-CG1 4.31Å |
| 240 | P | 61.4 | Low | 65.4 | Low | 64 Ų | 64 | 76.7 Ų | 76.7 | 42% | 0.416 | 39% | 0.387 | S | S | . | . | P | Polyproline II helix | trans | -47.9 | 146.9 | 166.6 | -30.6 | 35.1 | 0 | 0 | 0 | 112.4 | D242 I243 R244 | P240-D242 PolarHBondContact O-N 3.41Å; P240-I243 HydrophobicContact CB-CD1 4.25Å; P240-I243 HydrophobicContact CB-CG1 4.32Å; P240-I243 HydrophobicContact CG-CD1 4Å; P240-I243 WeakPolarHBondContact O-CA 3.35Å; P240-I243 PolarHBondContact O-N 2.96Å; P240-R244 PolarHBondContact O-N 3.47Å |
| 241 | P | 58.3 | Low | 63.9 | Low | 99 Ų | 99 | 79.8 Ų | 79.8 | 64% | 0.643 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -60.5 | -23.5 | -171.6 | 24.3 | -35.3 | 0 | 0 | 0 | 114.1 | ||
| 242 | D | 60.3 | Low | 62.8 | Low | 44 Ų | 44 | 78.5 Ų | 78.5 | 24% | 0.235 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -72.1 | -39.6 | 171.9 | -68.3 | -43.6 | 0 | 0 | 0 | 113 | P240 R245 I246 M293 | P240-D242 PolarHBondContact O-N 3.41Å; D242-R245 IonicContact OD1-CZ 2.89Å; D242-R245 IonicContact OD1-NH2 2.71Å; D242-R245 PolarHBondContact OD1-NH2 2.71Å; D242-I246 WeakPolarHBondContact O-CD1 3.11Å; D242-I246 WeakPolarHBondContact O-CG1 3.2Å; D242-M293 HydrophobicContact CB-CE 3.48Å; D242-M293 VanDerWaalsContact CB-CE 3.48Å; D242-M293 HydrophobicContact CB-SD 3.73Å |
| 243 | I | 65.8 | Low | 61.5 | Low | 11 Ų | 11 | 76.9 Ų | 76.9 | 6% | 0.056 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -78.5 | -30.5 | 179.9 | -55.4 | 177.8 | 0 | 0 | 0 | 111.1 | L233 L239 P240 R245 I246 S247 V253 I260 | L233-I243 HydrophobicContact CD1-CD1 4.47Å; L233-I243 HydrophobicContact CD2-CD1 4.42Å; L233-I243 HydrophobicContact CD2-CG2 3.97Å; L239-I243 HydrophobicContact CB-CB 4.29Å; L239-I243 HydrophobicContact CB-CG2 4.27Å; L239-I243 HydrophobicContact CD1-CG2 4.34Å; P240-I243 HydrophobicContact CB-CD1 4.25Å; P240-I243 HydrophobicContact CB-CG1 4.32Å; P240-I243 HydrophobicContact CG-CD1 4Å; P240-I243 WeakPolarHBondContact O-CA 3.35Å; P240-I243 PolarHBondContact O-N 2.96Å; I243-R245 VanDerWaalsContact C-N 3.27Å; I243-R245 PolarHBondContact O-N 3.13Å; I243-I246 WeakPolarHBondContact O-CG1 3.3Å; I243-I246 PolarHBondContact O-N 3.11Å; I243-S247 PolarHBondContact O-N 2.93Å; I243-V253 HydrophobicContact CG2-CG1 3.52Å; I243-I260 HydrophobicContact CD1-CD1 3.47Å; I243-I260 VanDerWaalsContact CD1-CD1 3.47Å; I243-I260 HydrophobicContact CG1-CD1 3.79Å |
| 244 | R | 61.4 | Low | 60.4 | Low | 141 Ų | 141 | 77 Ų | 77 | 53% | 0.532 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -54.9 | -39.4 | 174.5 | -72.8 | 178.7 | 69.1 | 154.4 | 2.2 | 113.2 | E238 L239 P240 I246 | E238-R244 IonicContact OE1-NH1 2.9Å; L239-R244 HydrophobicContact CB-CG 3.76Å; L239-R244 VanDerWaalsContact O-CD 3.27Å; L239-R244 WeakPolarHBondContact O-CD 3.34Å; L239-R244 VanDerWaalsContact O-CG 3.23Å; L239-R244 WeakPolarHBondContact O-CG 3.49Å; P240-R244 PolarHBondContact O-N 3.47Å; R244-I246 PolarHBondContact O-N 2.74Å |
| 245 | R | 60 | Low | 59.8 | Low | 156 Ų | 156 | 78.7 Ų | 78.7 | 59% | 0.589 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -65.8 | -17.8 | 178.2 | -77.4 | -179.2 | -75.6 | 162.1 | -3.9 | 114.1 | D242 I243 | D242-R245 IonicContact OD1-CZ 2.89Å; D242-R245 IonicContact OD1-NH2 2.71Å; D242-R245 PolarHBondContact OD1-NH2 2.71Å; I243-R245 VanDerWaalsContact C-N 3.27Å; I243-R245 PolarHBondContact O-N 3.13Å |
| 246 | I | 63.9 | Low | 59.8 | Low | 18 Ų | 18 | 79.8 Ų | 79.8 | 9% | 0.092 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -109.7 | -25.3 | -173.1 | -4.3 | 169.3 | 0 | 0 | 0 | 111.6 | D242 I243 R244 S248 R249 Y250 I291 M293 | D242-I246 WeakPolarHBondContact O-CD1 3.11Å; D242-I246 WeakPolarHBondContact O-CG1 3.2Å; I243-I246 WeakPolarHBondContact O-CG1 3.3Å; I243-I246 PolarHBondContact O-N 3.11Å; R244-I246 PolarHBondContact O-N 2.74Å; I246-S248 PolarHBondContact O-N 2.67Å; I246-R249 CarbonylContact O-C 3.52Å; I246-R249 WeakPolarHBondContact O-CA 3.49Å; I246-R249 PolarHBondContact O-N 3.44Å; I246-Y250 HydrophobicContact CB-CD2 4.39Å; I246-Y250 HydrophobicContact CG2-CD2 3.83Å; I246-Y250 HydrophobicContact CG2-CE2 3.67Å; I246-Y250 WeakPolarHBondContact O-CD2 3.49Å; I246-Y250 PolarHBondContact O-N 3.36Å; I246-I291 HydrophobicContact CB-CD1 4.4Å; I246-I291 HydrophobicContact CD1-CD1 3.75Å; I246-I291 HydrophobicContact CD1-CG2 3.58Å; I246-I291 HydrophobicContact CG2-CD1 4.06Å; I246-M293 HydrophobicContact CD1-CG 4.48Å |
| 247 | S | 60.9 | Low | 60.3 | Low | 37 Ų | 37 | 77.5 Ų | 77.5 | 26% | 0.259 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -55.3 | -35.4 | 163.4 | -177.2 | 0 | 0 | 0 | 0 | 112.2 | L239 I243 R249 Y250 V253 | L239-S247 VanDerWaalsContact CD1-CB 3.44Å; I243-S247 PolarHBondContact O-N 2.93Å; S247-R249 PolarHBondContact O-N 2.9Å; S247-Y250 CarbonylContact O-C 3.59Å; S247-Y250 VanDerWaalsContact O-C 3.28Å; S247-Y250 PolarHBondContact O-N 2.62Å; S247-V253 WeakPolarHBondContact CB-O 3.45Å; S247-V253 PolarHBondContact OG-O 2.75Å |
| 248 | S | 58.8 | Low | 61.1 | Low | 110 Ų | 110 | 68.7 Ų | 68.7 | 77% | 0.769 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -11.1 | 170.9 | -49.9 | 0 | 0 | 0 | 0 | 115.1 | I246 | I246-S248 PolarHBondContact O-N 2.67Š|
| 249 | R | 60 | Low | 62.7 | Low | 132 Ų | 132 | 60.7 Ų | 60.7 | 50% | 0.498 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | -24.5 | 171.7 | -57.6 | -137.2 | -63.3 | -177.2 | 3.2 | 112.7 | E179 I246 S247 | E179-R249 IonicContact OE1-CZ 3.54Å; E179-R249 IonicContact OE1-NH1 3.58Å; E179-R249 PolarHBondContact OE1-NH1 3.18Å; I246-R249 CarbonylContact O-C 3.52Å; I246-R249 WeakPolarHBondContact O-CA 3.49Å; I246-R249 PolarHBondContact O-N 3.44Å; S247-R249 PolarHBondContact O-N 2.9Å |
| 250 | Y | 65.3 | Low | 63.7 | Low | 45 Ų | 45 | 59.6 Ų | 59.6 | 18% | 0.176 | 31% | 0.314 | C | S | . | . | trans | -133.9 | 94.4 | -177.1 | -51.9 | -61.6 | 0 | 0 | 0 | 109.2 | L187 I246 S247 Q252 V253 V289 I291 | L187-Y250 HydrophobicContact CD2-CD2 4.45Å; I246-Y250 HydrophobicContact CB-CD2 4.39Å; I246-Y250 HydrophobicContact CG2-CD2 3.83Å; I246-Y250 HydrophobicContact CG2-CE2 3.67Å; I246-Y250 WeakPolarHBondContact O-CD2 3.49Å; I246-Y250 PolarHBondContact O-N 3.36Å; S247-Y250 CarbonylContact O-C 3.59Å; S247-Y250 VanDerWaalsContact O-C 3.28Å; S247-Y250 PolarHBondContact O-N 2.62Å; Y250-Q252 VanDerWaalsContact C-OE1 3.28Å; Y250-Q252 PolarHBondContact O-N 3.31Å; Y250-Q252 VanDerWaalsContact O-N 3.11Å; Y250-V253 WeakPolarHBondContact O-CB 3.48Å; Y250-V253 PolarHBondContact O-N 3.22Å; Y250-V289 HydrophobicContact CE1-CG1 3.92Å; Y250-V289 HydrophobicContact CE2-CG1 4.17Å; Y250-I291 HydrophobicContact CE2-CD1 4.37Å; Y250-I291 HydrophobicContact CE2-CG1 4.42Å | ||
| 251 | S | 54.3 | Low | 64.9 | Low | 90 Ų | 90 | 56.6 Ų | 56.6 | 63% | 0.629 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -13.1 | -178.3 | 51.3 | 0 | 0 | 0 | 0 | 114.2 | V253 T255 | S251-V253 VanDerWaalsContact C-N 3.27Å; S251-T255 PolarHBondContact O-OG1 3.34Å |
| 252 | Q | 58.1 | Low | 66.3 | Low | 65 Ų | 65 | 54.3 Ų | 54.3 | 30% | 0.304 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -33.1 | 168.6 | -58.4 | 81 | 0.9 | 0 | 0 | 111.6 | Y189 Y250 G254 T255 Q256 | Y189-Q252 HydrophobicContact CD2-CB 4.37Å; Y189-Q252 HydrophobicContact CD2-CG 4.34Å; Y189-Q252 HydrophobicContact CE2-CG 4.18Å; Y250-Q252 VanDerWaalsContact C-OE1 3.28Å; Y250-Q252 PolarHBondContact O-N 3.31Å; Y250-Q252 VanDerWaalsContact O-N 3.11Å; Q252-G254 PolarHBondContact O-N 3.09Å; Q252-T255 WeakPolarHBondContact CA-OG1 3.46Å; Q252-T255 PolarHBondContact O-N 3.27Å; Q252-T255 PolarHBondContact O-OG1 3.02Å; Q252-Q256 PolarHBondContact O-N 3.42Å; Q252-Q256 VanDerWaalsContact O-N 3.12Å |
| 253 | V | 56.7 | Low | 67.7 | Low | 2 Ų | 2 | 52.3 Ų | 52.3 | 1% | 0.012 | 27% | 0.265 | C | S | . | . | B | Isolated β-bridge | trans | -78.2 | 93.4 | -176 | -176 | 0 | 0 | 0 | 0 | 110 | L187 L233 L239 I243 S247 Y250 S251 | L187-V253 HydrophobicContact CD1-CG2 4.1Å; L187-V253 HydrophobicContact CD2-CG2 3.43Å; L187-V253 VanDerWaalsContact CD2-CG2 3.43Å; L187-V253 HydrophobicContact CG-CG2 4.42Å; L233-V253 HydrophobicContact CD2-CG1 3.85Å; L239-V253 HydrophobicContact CD1-CG1 4.31Å; I243-V253 HydrophobicContact CG2-CG1 3.52Å; S247-V253 WeakPolarHBondContact CB-O 3.45Å; S247-V253 PolarHBondContact OG-O 2.75Å; Y250-V253 WeakPolarHBondContact O-CB 3.48Å; Y250-V253 PolarHBondContact O-N 3.22Å; S251-V253 VanDerWaalsContact C-N 3.27Å |
| 254 | G | 50.8 | Low | 68.8 | Low | 23 Ų | 23 | 57.3 Ų | 57.3 | 24% | 0.237 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 127.7 | -25 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | P235 G236 Q252 | P235-G254 WeakPolarHBondContact CA-O 3.49Å; G236-G254 PolarHBondContact N-O 2.91Å; Q252-G254 PolarHBondContact O-N 3.09Å |
| 255 | T | 61 | Low | 69.9 | Low | 103 Ų | 103 | 55.9 Ų | 55.9 | 63% | 0.632 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | -31.1 | 174.5 | 50.2 | 0 | 0 | 0 | 0 | 112.5 | S251 Q252 | S251-T255 PolarHBondContact O-OG1 3.34Å; Q252-T255 WeakPolarHBondContact CA-OG1 3.46Å; Q252-T255 PolarHBondContact O-N 3.27Å; Q252-T255 PolarHBondContact O-OG1 3.02Å |
| 256 | Q | 65.9 | Low | 71 | Confident | 81 Ų | 81 | 50.7 Ų | 50.7 | 38% | 0.379 | 27% | 0.273 | S | S | . | . | B | Isolated β-bridge | trans | -119.3 | 162.7 | 179.1 | -64.3 | -179.3 | -29.6 | 0 | 0 | 111.6 | Q252 C258 | Q252-Q256 PolarHBondContact O-N 3.42Å; Q252-Q256 VanDerWaalsContact O-N 3.12Å; Q256-C258 PolarHBondContact O-N 3.05Å; Q256-C258 PolarHBondContact O-SG 3.04Å |
| 257 | E | 69.9 | Low | 72 | Confident | 30 Ų | 30 | 55.5 Ų | 55.5 | 14% | 0.14 | 30% | 0.295 | C | S | . | . | trans | -70.1 | 128.2 | 168.1 | -78.7 | -163.3 | 163.9 | 0 | 0 | 111 | L191 Y192 P235 | L191-E257 HydrophobicContact CD1-CB 4.46Å; Y192-E257 HydrophobicContact CD2-CB 4.45Å; Y192-E257 HydrophobicContact CE2-CB 3.82Å; Y192-E257 HydrophobicContact CE2-CG 3.93Å; Y192-E257 WeakPolarHBondContact CE2-OE2 3.21Å; Y192-E257 VanDerWaalsContact CZ-OE2 3.24Å; Y192-E257 VanDerWaalsContact OH-CD 3.26Å; Y192-E257 PolarHBondContact OH-OE2 2.9Å; P235-E257 VanDerWaalsContact CD-CG 3.43Å; P235-E257 HydrophobicContact CG-CG 4.32Å | ||
| 258 | C | 77.5 | Confident | 73.2 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 152.7 | 179.4 | -54.3 | 0 | 0 | 0 | 0 | 109.1 | L187 V188 L233 Q256 | L187-C258 HydrophobicContact CD1-CB 3.88Å; V188-C258 CarbonylContact O-C 3.6Å; V188-C258 WeakPolarHBondContact O-CA 3.43Å; L233-C258 WeakPolarHBondContact CA-O 3.24Å; L233-C258 HydrophobicContact CB-CB 4.4Å; L233-C258 WeakPolarHBondContact CB-O 3.49Å; L233-C258 HydrophobicContact CD2-CB 4.28Å; L233-C258 PolarHBondContact N-O 2.89Å; L233-C258 PolarHBondContact O-N 3.16Å; L233-C258 VanDerWaalsContact O-N 3.16Å; Q256-C258 PolarHBondContact O-N 3.05Å; Q256-C258 PolarHBondContact O-SG 3.04Å |
| 259 | A | 83.3 | Confident | 74.4 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 150.7 | 163.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | V188 L191 L217 R231 I232 | V188-A259 HydrophobicContact CB-CB 4.44Å; V188-A259 PolarHBondContact N-O 3.04Å; V188-A259 PolarHBondContact O-N 2.89Å; V188-A259 VanDerWaalsContact O-O 3.14Å; L191-A259 HydrophobicContact CD1-CB 4.02Å; L191-A259 HydrophobicContact CD2-CB 4.35Å; L217-A259 HydrophobicContact CD1-CB 3.48Å; L217-A259 VanDerWaalsContact CD1-CB 3.48Å; L217-A259 HydrophobicContact CD2-CB 4.45Å; R231-A259 CarbonylContact O-C 3.58Å; R231-A259 WeakPolarHBondContact O-CA 3.26Å; I232-A259 HydrophobicContact CG1-CB 4.38Å |
| 260 | I | 84.8 | Confident | 75.6 | Confident | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 118.7 | 169.2 | -64 | -179.8 | 0 | 0 | 0 | 107.2 | M185 L186 L187 V230 R231 I243 | M185-I260 HydrophobicContact CE-CG2 3.5Å; M185-I260 VanDerWaalsContact CE-CG2 3.5Å; L186-I260 WeakPolarHBondContact O-CA 3.35Å; L187-I260 HydrophobicContact CD1-CD1 4.44Å; L187-I260 HydrophobicContact CD1-CG1 3.86Å; V230-I260 CarbonylContact C-O 3.58Å; V230-I260 WeakPolarHBondContact CA-O 3.44Å; R231-I260 PolarHBondContact N-O 3.33Å; R231-I260 PolarHBondContact O-N 3.03Å; I243-I260 HydrophobicContact CD1-CD1 3.47Å; I243-I260 VanDerWaalsContact CD1-CD1 3.47Å; I243-I260 HydrophobicContact CG1-CD1 3.79Å |
| 261 | V | 86.6 | Confident | 76.5 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 118.7 | 175.3 | -177.7 | 0 | 0 | 0 | 0 | 107.3 | M185 L186 V188 F221 I227 V230 F263 | M185-V261 CarbonylContact C-O 3.57Å; M185-V261 WeakPolarHBondContact CA-O 3.35Å; L186-V261 PolarHBondContact N-O 2.89Å; L186-V261 PolarHBondContact O-N 2.97Å; V188-V261 HydrophobicContact CG2-CG2 4.25Å; F221-V261 HydrophobicContact CB-CG1 4.36Å; F221-V261 HydrophobicContact CD2-CG1 4.47Å; F221-V261 HydrophobicContact CD2-CG2 3.88Å; F221-V261 HydrophobicContact CE2-CG2 4.17Å; F221-V261 HydrophobicContact CG-CG1 4.49Å; I227-V261 HydrophobicContact CD1-CG1 4.31Å; I227-V261 HydrophobicContact CG1-CG1 4.23Å; I227-V261 HydrophobicContact CG2-CG1 3.9Å; V230-V261 HydrophobicContact CG1-CG2 4.27Å; V230-V261 HydrophobicContact CG2-CG1 4.41Å; V230-V261 HydrophobicContact CG2-CG2 4.43Å; V261-F263 HydrophobicContact CB-CE2 4.25Å; V261-F263 HydrophobicContact CG1-CD2 4.08Å; V261-F263 HydrophobicContact CG1-CE1 4.39Å; V261-F263 HydrophobicContact CG1-CE2 3.64Å; V261-F263 HydrophobicContact CG1-CZ 3.83Å |
| 262 | E | 87.6 | Confident | 77.9 | Confident | 52 Ų | 52 | 43 Ų | 43 | 24% | 0.243 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 112.1 | 176.8 | -174.3 | 167.8 | 173.5 | 0 | 0 | 107.4 | K184 M185 S228 S229 R231 | K184-E262 CarbonylContact O-C 3.28Å; K184-E262 WeakPolarHBondContact O-CA 3.49Å; M185-E262 HydrophobicContact CG-CB 4.07Å; M185-E262 HydrophobicContact CG-CG 3.74Å; S228-E262 CarbonylContact C-O 3.52Å; S228-E262 WeakPolarHBondContact CA-O 3.3Å; S228-E262 WeakPolarHBondContact CB-O 3.4Å; S228-E262 PolarHBondContact N-O 3.03Å; S229-E262 PolarHBondContact N-O 2.86Å; S229-E262 PolarHBondContact O-N 2.82Å; R231-E262 IonicContact CZ-OE2 3.79Å; R231-E262 VanDerWaalsContact CZ-OE2 3.3Å; R231-E262 IonicContact NH1-OE2 2.8Å; R231-E262 PolarHBondContact NH1-OE2 2.77Å; R231-E262 IonicContact NH2-OE2 3.11Å; R231-E262 PolarHBondContact NH2-OE2 3.43Å |
| 263 | F | 88.6 | Confident | 79.1 | Confident | 1 Ų | 1 | 40.7 Ų | 40.7 | 0% | 0.004 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 158.2 | 178.6 | -67.2 | -93.2 | 0 | 0 | 0 | 111.5 | K184 L186 F221 V226 I227 V261 E265 A268 A269 A272 | K184-F263 WeakPolarHBondContact CB-O 3.2Å; K184-F263 WeakPolarHBondContact CD-O 3.31Å; K184-F263 PolarHBondContact O-N 2.7Å; L186-F263 HydrophobicContact CB-CE2 4.03Å; L186-F263 HydrophobicContact CD2-CE2 4.09Å; F221-F263 HydrophobicContact CB-CE1 4.03Å; F221-F263 HydrophobicContact CB-CZ 3.79Å; F221-F263 AromaticContact CD1-CZ 3.91Å; F221-F263 HydrophobicContact CD1-CZ 3.91Å; F221-F263 HydrophobicContact CG-CZ 4.03Å; V226-F263 CarbonylContact O-C 3.39Å; V226-F263 WeakPolarHBondContact O-CA 3.33Å; I227-F263 HydrophobicContact CG1-CD1 4.1Å; I227-F263 HydrophobicContact CG1-CE1 4.06Å; V261-F263 HydrophobicContact CB-CE2 4.25Å; V261-F263 HydrophobicContact CG1-CD2 4.08Å; V261-F263 HydrophobicContact CG1-CE1 4.39Å; V261-F263 HydrophobicContact CG1-CE2 3.64Å; V261-F263 HydrophobicContact CG1-CZ 3.83Å; F263-E265 VanDerWaalsContact CB-O 3.25Å; F263-E265 WeakPolarHBondContact CB-O 3.27Å; F263-A268 HydrophobicContact CB-CB 4.36Å; F263-A268 HydrophobicContact CD1-CB 3.79Å; F263-A268 HydrophobicContact CE1-CB 4.35Å; F263-A268 HydrophobicContact CG-CB 4.22Å; F263-A269 HydrophobicContact CB-CB 4.39Å; F263-A269 HydrophobicContact CD2-CB 3.55Å; F263-A269 HydrophobicContact CE2-CB 4.08Å; F263-A269 HydrophobicContact CG-CB 4.17Å; F263-A272 HydrophobicContact CE2-CB 4.26Å; F263-A272 HydrophobicContact CZ-CB 3.75Å |
| 264 | E | 89.3 | Confident | 80.3 | Confident | 116 Ų | 116 | 45.7 Ų | 45.7 | 54% | 0.542 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -74.2 | -42.4 | 167.3 | -179.7 | 161.6 | -155 | 0 | 0 | 111 | K184 V226 | K184-E264 WeakPolarHBondContact CD-O 3.46Å; K184-E264 WeakPolarHBondContact CE-O 3.46Å; K184-E264 PolarHBondContact NZ-O 3.22Å; V226-E264 HydrophobicContact CB-CB 4.13Å; V226-E264 HydrophobicContact CG1-CB 4.17Å; V226-E264 PolarHBondContact O-N 2.92Å |
| 265 | E | 84.8 | Confident | 81.8 | Confident | 112 Ų | 112 | 48.7 Ų | 48.7 | 52% | 0.523 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -93.3 | 151.9 | 176.4 | -68.4 | -167.4 | 158 | 0 | 0 | 112.7 | F263 A268 | F263-E265 VanDerWaalsContact CB-O 3.25Å; F263-E265 WeakPolarHBondContact CB-O 3.27Å; E265-A268 HydrophobicContact CB-CB 4Å |
| 266 | V | 84.1 | Confident | 82.6 | Confident | 47 Ų | 47 | 43.9 Ų | 43.9 | 29% | 0.285 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -83.8 | -36.4 | 179.1 | -171.9 | 0 | 0 | 0 | 0 | 111.2 | P182 K184 A269 I270 | P182-V266 HydrophobicContact CB-CG1 3.53Å; P182-V266 WeakPolarHBondContact O-CG1 3.24Å; K184-V266 HydrophobicContact CD-CG2 4.49Å; K184-V266 HydrophobicContact CG-CG2 3.76Å; V266-A269 PolarHBondContact O-N 2.98Å; V266-I270 PolarHBondContact O-N 3.42Å |
| 267 | E | 82.9 | Confident | 82.9 | Confident | 119 Ų | 119 | 43.6 Ų | 43.6 | 56% | 0.556 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -66.2 | -37.6 | 176.9 | -61.3 | -177.9 | -158 | 0 | 0 | 112.3 | A269 I270 K271 | E267-A269 VanDerWaalsContact C-N 3.28Å; E267-A269 PolarHBondContact O-N 3.22Å; E267-I270 PolarHBondContact O-N 3.04Å; E267-I270 VanDerWaalsContact O-N 3.12Å; E267-K271 WeakPolarHBondContact O-CG 3.27Å; E267-K271 PolarHBondContact O-N 3.28Å; E267-K271 IonicContact OE2-NZ 3.86Å; E267-K271 PolarHBondContact OE2-NZ 2.89Å |
| 268 | A | 87.1 | Confident | 82.9 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -55.4 | -43.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | F224 F263 E265 I270 A272 | F224-A268 WeakPolarHBondContact O-CA 3.48Å; F224-A268 VanDerWaalsContact O-CB 3.23Å; F224-A268 WeakPolarHBondContact O-CB 3.22Å; F263-A268 HydrophobicContact CB-CB 4.36Å; F263-A268 HydrophobicContact CD1-CB 3.79Å; F263-A268 HydrophobicContact CE1-CB 4.35Å; F263-A268 HydrophobicContact CG-CB 4.22Å; E265-A268 HydrophobicContact CB-CB 4Å; A268-I270 VanDerWaalsContact C-N 3.33Å; A268-I270 PolarHBondContact O-N 2.84Å; A268-A272 WeakPolarHBondContact O-CB 3.47Å; A268-A272 PolarHBondContact O-N 3.41Å |
| 269 | A | 84.9 | Confident | 82.5 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -67.1 | -31.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113 | S183 F263 V266 E267 H273 L290 | S183-A269 WeakPolarHBondContact O-CB 3.49Å; F263-A269 HydrophobicContact CB-CB 4.39Å; F263-A269 HydrophobicContact CD2-CB 3.55Å; F263-A269 HydrophobicContact CE2-CB 4.08Å; F263-A269 HydrophobicContact CG-CB 4.17Å; V266-A269 PolarHBondContact O-N 2.98Å; E267-A269 VanDerWaalsContact C-N 3.28Å; E267-A269 PolarHBondContact O-N 3.22Å; A269-H273 VanDerWaalsContact O-CB 3.31Å; A269-H273 WeakPolarHBondContact O-CB 3.47Å; A269-H273 PolarHBondContact O-N 3.03Å; A269-H273 VanDerWaalsContact O-N 3.13Å; A269-L290 HydrophobicContact CB-CD2 3.99Å |
| 270 | I | 83.3 | Confident | 81.3 | Confident | 51 Ų | 51 | 53.4 Ų | 53.4 | 26% | 0.262 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -73.4 | -50.8 | 175.9 | -64 | 166.8 | 0 | 0 | 0 | 110.2 | P182 V266 E267 A268 A272 H273 E274 L290 | P182-I270 HydrophobicContact CB-CD1 4.23Å; V266-I270 PolarHBondContact O-N 3.42Å; E267-I270 PolarHBondContact O-N 3.04Å; E267-I270 VanDerWaalsContact O-N 3.12Å; A268-I270 VanDerWaalsContact C-N 3.33Å; A268-I270 PolarHBondContact O-N 2.84Å; I270-A272 VanDerWaalsContact C-N 3.29Å; I270-A272 PolarHBondContact O-N 2.61Å; I270-H273 WeakPolarHBondContact O-CA 3.41Å; I270-H273 WeakPolarHBondContact O-CB 3.5Å; I270-H273 PolarHBondContact O-N 3.49Å; I270-E274 HydrophobicContact CG2-CG 4.45Å; I270-E274 WeakPolarHBondContact O-CG 3.18Å; I270-E274 PolarHBondContact O-N 3.48Å; I270-L290 HydrophobicContact CG1-CD1 4.2Å |
| 271 | K | 84.4 | Confident | 79.8 | Confident | 100 Ų | 100 | 61.3 Ų | 61.3 | 44% | 0.435 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -56.3 | -43.4 | 176.7 | -68.8 | 162.2 | -172.2 | 161.2 | 0 | 111.4 | E267 F275 | E267-K271 WeakPolarHBondContact O-CG 3.27Å; E267-K271 PolarHBondContact O-N 3.28Å; E267-K271 IonicContact OE2-NZ 3.86Å; E267-K271 PolarHBondContact OE2-NZ 2.89Å; K271-F275 WeakPolarHBondContact O-CB 3.41Å; K271-F275 PolarHBondContact O-N 2.95Å |
| 272 | A | 85.1 | Confident | 78 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62 | -41.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113 | L186 F221 F224 F263 A268 I270 M276 | L186-A272 HydrophobicContact CD2-CB 3.98Å; F221-A272 HydrophobicContact CD1-CB 3.74Å; F221-A272 HydrophobicContact CE1-CB 3.94Å; F224-A272 HydrophobicContact CB-CB 4.08Å; F224-A272 HydrophobicContact CD2-CB 4Å; F224-A272 HydrophobicContact CG-CB 4.13Å; F263-A272 HydrophobicContact CE2-CB 4.26Å; F263-A272 HydrophobicContact CZ-CB 3.75Å; A268-A272 WeakPolarHBondContact O-CB 3.47Å; A268-A272 PolarHBondContact O-N 3.41Å; I270-A272 VanDerWaalsContact C-N 3.29Å; I270-A272 PolarHBondContact O-N 2.61Å; A272-M276 VanDerWaalsContact O-CG 3.26Å; A272-M276 WeakPolarHBondContact O-CG 3.22Å; A272-M276 PolarHBondContact O-N 3.36Å; A272-M276 VanDerWaalsContact O-N 3.11Å |
| 273 | H | 82.4 | Confident | 76.1 | Confident | 16 Ų | 16 | 70.2 Ų | 70.2 | 7% | 0.074 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -66.5 | -43.6 | 178 | 178.5 | -101.8 | 0 | 0 | 0 | 112.4 | L186 A269 I270 M276 I277 L290 | L186-H273 HydrophobicContact CD1-CB 3.83Å; A269-H273 VanDerWaalsContact O-CB 3.31Å; A269-H273 WeakPolarHBondContact O-CB 3.47Å; A269-H273 PolarHBondContact O-N 3.03Å; A269-H273 VanDerWaalsContact O-N 3.13Å; I270-H273 WeakPolarHBondContact O-CA 3.41Å; I270-H273 WeakPolarHBondContact O-CB 3.5Å; I270-H273 PolarHBondContact O-N 3.49Å; H273-M276 PolarHBondContact O-N 2.96Å; H273-I277 WeakPolarHBondContact CE1-CD1 3.41Å; H273-I277 WeakPolarHBondContact O-CG1 3.47Å; H273-I277 PolarHBondContact O-N 3.16Å; H273-L290 HydrophobicContact CB-CD1 3.9Å; H273-L290 HydrophobicContact CB-CG 3.91Å; H273-L290 PolarHBondContact CD2-N 3Å; H273-L290 PolarHBondContact NE2-N 3.08Å |
| 274 | E | 83 | Confident | 74.2 | Confident | 107 Ų | 107 | 76.9 Ų | 76.9 | 50% | 0.5 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64.1 | -41.3 | 177.1 | -70.3 | 170.2 | 165.1 | 0 | 0 | 112.2 | I270 I277 T278 | I270-E274 HydrophobicContact CG2-CG 4.45Å; I270-E274 WeakPolarHBondContact O-CG 3.18Å; I270-E274 PolarHBondContact O-N 3.48Å; E274-I277 PolarHBondContact O-N 3.31Å; E274-T278 WeakPolarHBondContact O-CB 3.44Å; E274-T278 PolarHBondContact O-N 3.46Å; E274-T278 PolarHBondContact O-OG1 3.26Å |
| 275 | F | 82.6 | Confident | 72.8 | Confident | 86 Ų | 86 | 72.7 Ų | 72.7 | 38% | 0.377 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -59.1 | -50.4 | 173 | -177.4 | -90.3 | 0 | 0 | 0 | 111.6 | L220 F224 K271 I277 T278 E279 | L220-F275 HydrophobicContact CD1-CE1 4.42Å; F224-F275 HydrophobicContact CE1-CB 3.96Å; F224-F275 AromaticContact CE1-CD2 3.95Å; F224-F275 HydrophobicContact CE1-CD2 3.95Å; F224-F275 AromaticContact CE1-CG 3.92Å; F224-F275 HydrophobicContact CE1-CG 3.92Å; F224-F275 HydrophobicContact CE2-CB 4.35Å; F224-F275 HydrophobicContact CE2-CD1 4.01Å; F224-F275 HydrophobicContact CE2-CG 4.09Å; F224-F275 HydrophobicContact CZ-CB 3.7Å; F224-F275 AromaticContact CZ-CD1 3.61Å; F224-F275 HydrophobicContact CZ-CD1 3.61Å; F224-F275 AromaticContact CZ-CD2 3.57Å; F224-F275 HydrophobicContact CZ-CD2 3.57Å; F224-F275 HydrophobicContact CZ-CE1 4.12Å; F224-F275 HydrophobicContact CZ-CE2 4.07Å; F224-F275 AromaticContact CZ-CG 3.31Å; F224-F275 HydrophobicContact CZ-CG 3.31Å; F224-F275 HydrophobicContact CZ-CZ 4.32Å; K271-F275 WeakPolarHBondContact O-CB 3.41Å; K271-F275 PolarHBondContact O-N 2.95Å; F275-I277 VanDerWaalsContact C-N 3.33Å; F275-I277 PolarHBondContact O-N 3.43Å; F275-T278 PolarHBondContact O-N 2.93Å; F275-E279 PolarHBondContact O-N 2.96Å |
| 276 | M | 76.4 | Confident | 72.1 | Confident | 3 Ų | 3 | 68.9 Ų | 68.9 | 2% | 0.015 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -63.5 | -36.2 | 179.5 | -67.3 | -55.2 | -47.2 | 0 | 0 | 112.6 | L220 F221 A272 H273 S280 M286 A288 | L220-M276 HydrophobicContact CD2-SD 3.8Å; F221-M276 HydrophobicContact CE1-CG 3.94Å; F221-M276 HydrophobicContact CE1-SD 4.19Å; F221-M276 HydrophobicContact CZ-CG 4.07Å; F221-M276 HydrophobicContact CZ-SD 4.08Å; A272-M276 VanDerWaalsContact O-CG 3.26Å; A272-M276 WeakPolarHBondContact O-CG 3.22Å; A272-M276 PolarHBondContact O-N 3.36Å; A272-M276 VanDerWaalsContact O-N 3.11Å; H273-M276 PolarHBondContact O-N 2.96Å; M276-S280 VanDerWaalsContact O-CB 3.25Å; M276-S280 WeakPolarHBondContact O-CB 3.19Å; M276-S280 PolarHBondContact O-N 3.22Å; M276-S280 PolarHBondContact O-OG 2.87Å; M276-M286 HydrophobicContact CE-CB 4.08Å; M276-M286 HydrophobicContact CE-CE 3.55Å; M276-M286 HydrophobicContact CE-CG 4.46Å; M276-M286 WeakPolarHBondContact CE-O 3.35Å; M276-M286 HydrophobicContact SD-CE 3.9Å; M276-A288 HydrophobicContact CB-CB 3.68Å; M276-A288 HydrophobicContact CG-CB 3.75Å |
| 277 | I | 71.5 | Confident | 71.5 | Confident | 75 Ų | 75 | 70.5 Ų | 70.5 | 39% | 0.385 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -63.2 | -48.3 | 173 | -75.5 | 174 | 0 | 0 | 0 | 110.6 | H273 E274 F275 E279 S280 | H273-I277 WeakPolarHBondContact CE1-CD1 3.41Å; H273-I277 WeakPolarHBondContact O-CG1 3.47Å; H273-I277 PolarHBondContact O-N 3.16Å; E274-I277 PolarHBondContact O-N 3.31Å; F275-I277 VanDerWaalsContact C-N 3.33Å; F275-I277 PolarHBondContact O-N 3.43Å; I277-E279 PolarHBondContact O-N 3.32Å; I277-S280 PolarHBondContact O-N 3.31Å; I277-S280 PolarHBondContact O-OG 3.26Å |
| 278 | T | 71.3 | Confident | 71.2 | Confident | 106 Ų | 106 | 65.3 Ų | 65.3 | 65% | 0.65 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -61.5 | -43.9 | -178 | -57.6 | 0 | 0 | 0 | 0 | 111.4 | E274 F275 | E274-T278 WeakPolarHBondContact O-CB 3.44Å; E274-T278 PolarHBondContact O-N 3.46Å; E274-T278 PolarHBondContact O-OG1 3.26Å; F275-T278 PolarHBondContact O-N 2.93Å |
| 279 | E | 68.1 | Low | 70.7 | Confident | 92 Ų | 92 | 66.5 Ų | 66.5 | 43% | 0.43 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -66.8 | -36 | 176.8 | -159.2 | -174.8 | -149.3 | 0 | 0 | 111.9 | F275 I277 Q281 G282 N285 | F275-E279 PolarHBondContact O-N 2.96Å; I277-E279 PolarHBondContact O-N 3.32Å; E279-Q281 PolarHBondContact O-N 3.03Å; E279-Q281 VanDerWaalsContact O-N 3.11Å; E279-G282 PolarHBondContact O-N 3.46Å; E279-N285 VanDerWaalsContact C-ND2 3.26Å; E279-N285 WeakPolarHBondContact CB-ND2 3.48Å; E279-N285 WeakPolarHBondContact CG-ND2 3.34Å; E279-N285 PolarHBondContact O-ND2 3.16Å; E279-N285 PolarHBondContact O-OD1 3.17Å; E279-N285 PolarHBondContact OE2-ND2 2.85Å |
| 280 | S | 59 | Low | 70.4 | Confident | 38 Ų | 38 | 66.9 Ų | 66.9 | 27% | 0.266 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -7.6 | -176.2 | 75.1 | 0 | 0 | 0 | 0 | 116.2 | M276 I277 G282 N285 | M276-S280 VanDerWaalsContact O-CB 3.25Å; M276-S280 WeakPolarHBondContact O-CB 3.19Å; M276-S280 PolarHBondContact O-N 3.22Å; M276-S280 PolarHBondContact O-OG 2.87Å; I277-S280 PolarHBondContact O-N 3.31Å; I277-S280 PolarHBondContact O-OG 3.26Å; S280-G282 VanDerWaalsContact C-N 3.29Å; S280-N285 PolarHBondContact N-ND2 2.79Å |
| 281 | Q | 52.9 | Low | 69.9 | Low | 166 Ų | 166 | 64.7 Ų | 64.7 | 78% | 0.776 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | -20.7 | 173.3 | -70.1 | -72.1 | -23.8 | 0 | 0 | 112.9 | E279 | E279-Q281 PolarHBondContact O-N 3.03Å; E279-Q281 VanDerWaalsContact O-N 3.11Å |
| 282 | G | 47.8 | Very low | 69 | Low | 65 Ų | 65 | 61.9 Ų | 61.9 | 67% | 0.67 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.3 | -32.7 | -168.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | E279 S280 | E279-G282 PolarHBondContact O-N 3.46Å; S280-G282 VanDerWaalsContact C-N 3.29Å |
| 283 | K | 47.8 | Very low | 67.7 | Low | 175 Ų | 175 | 64.1 Ų | 64.1 | 76% | 0.761 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -150.1 | 178.4 | -167.8 | -65.4 | -178.3 | -177.5 | 158.5 | 0 | 111.5 | N285 | K283-N285 PolarHBondContact O-N 3.44Å; K283-N285 PolarHBondContact O-OD1 2.78Å |
| 284 | E | 49.1 | Very low | 65.9 | Low | 141 Ų | 141 | 71 Ų | 71 | 66% | 0.659 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -75.3 | 41.9 | 171.4 | -61.8 | 179.5 | 140.6 | 0 | 0 | 112.2 | L193 | L193-E284 HydrophobicContact CD1-CB 4Å; L193-E284 WeakPolarHBondContact CD1-O 3.41Å; L193-E284 HydrophobicContact CD2-CB 3.68Å; L193-E284 WeakPolarHBondContact CD2-O 3.27Å; L193-E284 HydrophobicContact CG-CB 4.45Å |
| 285 | N | 59.3 | Low | 63.9 | Low | 27 Ų | 27 | 71.2 Ų | 71.2 | 14% | 0.144 | 38% | 0.382 | C | S | . | . | trans | -83 | 155.8 | -178.5 | 56.6 | -63.9 | 0 | 0 | 0 | 112.9 | E279 S280 K283 | E279-N285 VanDerWaalsContact C-ND2 3.26Å; E279-N285 WeakPolarHBondContact CB-ND2 3.48Å; E279-N285 WeakPolarHBondContact CG-ND2 3.34Å; E279-N285 PolarHBondContact O-ND2 3.16Å; E279-N285 PolarHBondContact O-OD1 3.17Å; E279-N285 PolarHBondContact OE2-ND2 2.85Å; S280-N285 PolarHBondContact N-ND2 2.79Å; K283-N285 PolarHBondContact O-N 3.44Å; K283-N285 PolarHBondContact O-OD1 2.78Å | ||
| 286 | M | 70.4 | Confident | 61.9 | Low | 33 Ų | 33 | 71.1 Ų | 71.1 | 16% | 0.163 | 39% | 0.39 | C | S | . | . | trans | -41 | 134.2 | 178.5 | -172.9 | -179 | 77.6 | 0 | 0 | 112.7 | V188 Y189 D190 L191 L217 L220 F221 M276 | V188-M286 HydrophobicContact CG1-CE 3.55Å; V188-M286 HydrophobicContact CG1-CG 3.4Å; V188-M286 HydrophobicContact CG1-SD 3.3Å; V188-M286 WeakPolarHBondContact CG1-SD 3.4Å; Y189-M286 WeakPolarHBondContact O-CG 3.44Å; D190-M286 WeakPolarHBondContact O-CA 3.36Å; L191-M286 HydrophobicContact CD2-CG 4.15Å; L191-M286 HydrophobicContact CD2-SD 3.64Å; L217-M286 HydrophobicContact CD2-CE 4.41Å; L217-M286 HydrophobicContact CD2-SD 4.19Å; L220-M286 HydrophobicContact CD2-CE 3.5Å; F221-M286 HydrophobicContact CE2-CE 3.97Å; F221-M286 HydrophobicContact CZ-CE 3.88Å; M276-M286 HydrophobicContact CE-CB 4.08Å; M276-M286 HydrophobicContact CE-CE 3.55Å; M276-M286 HydrophobicContact CE-CG 4.46Å; M276-M286 WeakPolarHBondContact CE-O 3.35Å; M276-M286 HydrophobicContact SD-CE 3.9Å | ||
| 287 | K | 71.7 | Confident | 59.9 | Low | 80 Ų | 80 | 80.8 Ų | 80.8 | 35% | 0.348 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 137.1 | -173.5 | -74.1 | 163.6 | -174.7 | 158 | 0 | 111.1 | V188 Y189 | V188-K287 CarbonylContact C-O 3.5Å; V188-K287 WeakPolarHBondContact CA-O 3.42Å; Y189-K287 HydrophobicContact CD1-CB 4.31Å; Y189-K287 WeakPolarHBondContact CD1-O 3.22Å; Y189-K287 HydrophobicContact CD2-CB 4.18Å; Y189-K287 HydrophobicContact CE1-CB 3.81Å; Y189-K287 HydrophobicContact CE2-CB 3.66Å; Y189-K287 HydrophobicContact CE2-CD 4.11Å; Y189-K287 HydrophobicContact CE2-CG 4.49Å; Y189-K287 HydrophobicContact CG-CB 4.47Å; Y189-K287 VanDerWaalsContact CZ-CB 3.45Å; Y189-K287 PolarHBondContact N-O 3.16Å; Y189-K287 PolarHBondContact O-N 3Å |
| 288 | A | 76.2 | Confident | 58.4 | Low | 10 Ų | 10 | 86.7 Ų | 86.7 | 8% | 0.083 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 145.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L186 L187 V188 M276 | L186-A288 HydrophobicContact CD1-CB 3.97Å; L186-A288 HydrophobicContact CD2-CB 4.19Å; L186-A288 HydrophobicContact CG-CB 4.12Å; L187-A288 CarbonylContact O-C 3.42Å; L187-A288 WeakPolarHBondContact O-CA 3.5Å; V188-A288 HydrophobicContact CG2-CB 4.4Å; M276-A288 HydrophobicContact CB-CB 3.68Å; M276-A288 HydrophobicContact CG-CB 3.75Å |
| 289 | V | 78 | Confident | 57 | Low | 25 Ų | 25 | 90.7 Ų | 90.7 | 15% | 0.152 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 126 | -177.6 | 169.6 | 0 | 0 | 0 | 0 | 109.3 | L187 Y189 Y250 | L187-V289 WeakPolarHBondContact CB-O 3.34Å; L187-V289 PolarHBondContact N-O 3.32Å; L187-V289 PolarHBondContact O-N 3.48Å; Y189-V289 HydrophobicContact CE1-CG2 3.97Å; Y250-V289 HydrophobicContact CE1-CG1 3.92Å; Y250-V289 HydrophobicContact CE2-CG1 4.17Å |
| 290 | L | 78.8 | Confident | 55.5 | Low | 9 Ų | 9 | 92.4 Ų | 92.4 | 5% | 0.047 | 48% | 0.482 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 141.5 | 174.6 | -83.6 | 159.1 | 0 | 0 | 0 | 111.7 | N180 S183 L186 A269 I270 H273 | N180-L290 HydrophobicContact CB-CB 3.91Å; N180-L290 PolarHBondContact ND2-O 3.25Å; N180-L290 PolarHBondContact OD1-O 2.9Å; S183-L290 WeakPolarHBondContact O-CD2 3.19Å; L186-L290 HydrophobicContact CD1-CD2 4.46Å; L186-L290 HydrophobicContact CD1-CG 4.28Å; A269-L290 HydrophobicContact CB-CD2 3.99Å; I270-L290 HydrophobicContact CG1-CD1 4.2Å; H273-L290 HydrophobicContact CB-CD1 3.9Å; H273-L290 HydrophobicContact CB-CG 3.91Å; H273-L290 PolarHBondContact CD2-N 3Å; H273-L290 PolarHBondContact NE2-N 3.08Å |
| 291 | I | 73 | Confident | 54.3 | Low | 4 Ų | 4 | 95.2 Ų | 95.2 | 2% | 0.021 | 51% | 0.508 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 110.5 | -178.4 | -75.4 | -160.4 | 0 | 0 | 0 | 112.3 | S183 M185 L187 I246 Y250 M293 | S183-I291 VanDerWaalsContact CB-O 3.32Å; S183-I291 WeakPolarHBondContact CB-O 3.43Å; M185-I291 HydrophobicContact CB-CB 4.43Å; M185-I291 PolarHBondContact O-N 3.33Å; L187-I291 HydrophobicContact CB-CD1 3.51Å; L187-I291 HydrophobicContact CB-CG1 3.87Å; L187-I291 HydrophobicContact CD1-CD1 4.45Å; L187-I291 HydrophobicContact CD2-CD1 4.05Å; L187-I291 HydrophobicContact CG-CD1 4.21Å; I246-I291 HydrophobicContact CB-CD1 4.4Å; I246-I291 HydrophobicContact CD1-CD1 3.75Å; I246-I291 HydrophobicContact CD1-CG2 3.58Å; I246-I291 HydrophobicContact CG2-CD1 4.06Å; Y250-I291 HydrophobicContact CE2-CD1 4.37Å; Y250-I291 HydrophobicContact CE2-CG1 4.42Å; I291-M293 HydrophobicContact CG2-CG 4.13Å; I291-M293 PolarHBondContact O-N 3.37Å; I291-M293 VanDerWaalsContact O-N 3.1Å |
| 292 | G | 63.6 | Low | 53.5 | Low | 41 Ų | 41 | 96.8 Ų | 96.8 | 42% | 0.423 | 51% | 0.512 | S | S | . | . | trans | -79.8 | 77.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | S183 | S183-G292 WeakPolarHBondContact OG-CA 3.47Å; S183-G292 PolarHBondContact OG-N 3.37Å | ||
| 293 | M | 59.3 | Low | 52.9 | Low | 47 Ų | 47 | 100.7 Ų | 100.7 | 23% | 0.232 | 52% | 0.518 | C | S | . | . | P | Polyproline II helix | trans | -78.9 | 119.8 | 163.1 | -81.9 | 179.5 | 47.7 | 0 | 0 | 111.1 | M185 D242 I246 I291 | M185-M293 HydrophobicContact CE-CE 4.32Å; M185-M293 HydrophobicContact CE-CG 4.43Å; M185-M293 HydrophobicContact CE-SD 3.41Å; M185-M293 WeakPolarHBondContact CE-SD 3.35Å; M185-M293 HydrophobicContact SD-CB 3.85Å; M185-M293 HydrophobicContact SD-CE 4.11Å; M185-M293 HydrophobicContact SD-CG 4.11Å; M185-M293 HydrophobicContact SD-SD 3.61Å; M185-M293 VanDerWaalsContact SD-SD 3.61Å; D242-M293 HydrophobicContact CB-CE 3.48Å; D242-M293 VanDerWaalsContact CB-CE 3.48Å; D242-M293 HydrophobicContact CB-SD 3.73Å; I246-M293 HydrophobicContact CD1-CG 4.48Å; I291-M293 HydrophobicContact CG2-CG 4.13Å; I291-M293 PolarHBondContact O-N 3.37Å; I291-M293 VanDerWaalsContact O-N 3.1Å |
| 294 | K | 44.4 | Very low | 52.3 | Low | 162 Ų | 162 | 102 Ų | 102 | 70% | 0.704 | 52% | 0.523 | S | S | * | . | P | Polyproline II helix | trans | -68.2 | 125.3 | 159.1 | -69 | -174.1 | 178.3 | -177.2 | 0 | 107.8 | ||
| 295 | P | 41.2 | Very low | 51.3 | Low | 110 Ų | 110 | 101.6 Ų | 101.6 | 71% | 0.714 | 53% | 0.526 | S | S | * | . | P | Polyproline II helix | trans | -60.8 | 134.7 | -175.8 | 23.3 | -33.4 | 0 | 0 | 0 | 110.3 | K297 | P295-K297 PolarHBondContact O-N 3.25Š|
| 296 | P | 40.6 | Very low | 50 | Low | 84 Ų | 84 | 107.4 Ų | 107.4 | 55% | 0.545 | 55% | 0.551 | S | S | . | * | P | Polyproline II helix | trans | -61 | 124.6 | 172.7 | 25.6 | -32.5 | 0 | 0 | 0 | 108.4 | K298 | P296-K298 PolarHBondContact O-N 3.31Š|
| 297 | K | 33.8 | Very low | 48 | Very low | 206 Ų | 206 | 111.6 Ų | 111.6 | 90% | 0.896 | 58% | 0.575 | S | S | * | * | trans | -64.1 | 94.6 | 179.9 | -71.2 | -171.3 | 176.2 | -172.6 | 0 | 109.5 | P295 K299 | P295-K297 PolarHBondContact O-N 3.25Å; K297-K299 PolarHBondContact O-N 3.23Å | ||
| 298 | K | 40.4 | Very low | 46.1 | Very low | 199 Ų | 199 | 116.5 Ų | 116.5 | 87% | 0.865 | 60% | 0.599 | S | S | * | * | trans | -54.5 | 112.4 | 173.8 | -70.1 | -175.4 | 178.1 | -179.8 | 0 | 108.6 | P296 | P296-K298 PolarHBondContact O-N 3.31Š| ||
| 299 | K | 41.4 | Very low | 43.9 | Very low | 191 Ų | 191 | 124.2 Ų | 124.2 | 83% | 0.83 | 63% | 0.633 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 134.4 | 156.9 | -67 | -177.8 | 179.2 | 179.9 | 0 | 106.4 | K297 A301 | K297-K299 PolarHBondContact O-N 3.23Å; K299-A301 PolarHBondContact O-N 2.98Å |
| 300 | P | 36.2 | Very low | 42.2 | Very low | 127 Ų | 127 | 127.4 Ų | 127.4 | 83% | 0.825 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 129.9 | 171.5 | 26.9 | -32.7 | 0 | 0 | 0 | 108.8 | ||
| 301 | A | 35.3 | Very low | 39.8 | Very low | 97 Ų | 97 | 133.9 Ų | 133.9 | 80% | 0.802 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -72 | 155 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | K299 | K299-A301 PolarHBondContact O-N 2.98Š|
| 302 | K | 34.8 | Very low | 38.1 | Very low | 200 Ų | 200 | 138.8 Ų | 138.8 | 87% | 0.87 | 74% | 0.735 | S | S | * | * | trans | -139.5 | 123.7 | 167.9 | -178.4 | 170.3 | -177.7 | 172.2 | 0 | 108.1 | ||||
| 303 | D | 35.5 | Very low | 36.6 | Very low | 147 Ų | 147 | 142 Ų | 142 | 79% | 0.786 | 75% | 0.751 | S | S | * | * | trans | -68.2 | 143.8 | -170.5 | -57 | -80.2 | 0 | 0 | 0 | 114.2 | ||||
| 304 | K | 35.3 | Very low | 35.7 | Very low | 201 Ų | 201 | 147 Ų | 147 | 87% | 0.874 | 78% | 0.777 | S | S | * | * | trans | -178.9 | 141 | 130.8 | -99.9 | 173.8 | -178.6 | -167.1 | 0 | 109.9 | ||||
| 305 | N | 28.9 | Very low | 35.3 | Very low | 134 Ų | 134 | 147.6 Ų | 147.6 | 72% | 0.717 | 78% | 0.782 | S | S | * | * | trans | -85.8 | -176.9 | 166 | -57 | -0.8 | 0 | 0 | 0 | 109 | ||||
| 306 | H | 31.1 | Very low | 35.1 | Very low | 148 Ų | 148 | 149.3 Ų | 149.3 | 69% | 0.685 | 79% | 0.785 | S | S | * | * | cis | -146.6 | 170.1 | 14.5 | -98.6 | -73.8 | 0 | 0 | 0 | 107 | ||||
| 307 | D | 28.3 | Very low | 34.9 | Very low | 122 Ų | 122 | 153.3 Ų | 153.3 | 65% | 0.652 | 80% | 0.802 | S | S | * | * | cis | -159.1 | -176.6 | 8.8 | -129 | -24.7 | 0 | 0 | 0 | 112.8 | ||||
| 308 | E | 31.7 | Very low | 35.3 | Very low | 182 Ų | 182 | 153 Ų | 153 | 85% | 0.85 | 80% | 0.801 | S | S | * | * | trans | 69.1 | 165.3 | 161.3 | -70.7 | -66.7 | 113.6 | 0 | 0 | 119.5 | ||||
| 309 | E | 30.8 | Very low | 35.5 | Very low | 173 Ų | 173 | 148.8 Ų | 148.8 | 81% | 0.808 | 80% | 0.796 | S | S | * | * | trans | -114.4 | -153.1 | -163.8 | -151.3 | -136.6 | 166.6 | 0 | 0 | 114.9 | ||||
| 310 | P | 42.4 | Very low | 35.8 | Very low | 92 Ų | 92 | 147.3 Ų | 147.3 | 60% | 0.597 | 80% | 0.796 | S | S | * | * | -97.1 | 148.9 | -112.2 | 37.9 | -27.3 | 0 | 0 | 0 | 115.3 | |||||
| 311 | T | 28.5 | Very low | 36.5 | Very low | 145 Ų | 145 | 147.7 Ų | 147.7 | 89% | 0.89 | 79% | 0.791 | S | S | * | * | trans | -140.3 | 143.3 | 151.9 | 44.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 312 | A | 36.3 | Very low | 37.2 | Very low | 106 Ų | 106 | 150.7 Ų | 150.7 | 88% | 0.876 | 79% | 0.786 | S | S | * | * | trans | -81.5 | 137.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 313 | S | 31.6 | Very low | 37.7 | Very low | 108 Ų | 108 | 151.7 Ų | 151.7 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | trans | -147.3 | 121.4 | 157.8 | 54.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 314 | I | 41.6 | Very low | 38.3 | Very low | 153 Ų | 153 | 150 Ų | 150 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | trans | -79.2 | 127.6 | 170.6 | -63.3 | 161.1 | 0 | 0 | 0 | 107.5 | L316 | I314-L316 HydrophobicContact CG2-CG 4.5Š| ||
| 315 | H | 35.5 | Very low | 38.8 | Very low | 174 Ų | 174 | 148.2 Ų | 148.2 | 81% | 0.806 | 77% | 0.774 | S | S | * | * | trans | -131.4 | 124.6 | 165 | -98.3 | -80.5 | 0 | 0 | 0 | 113.5 | ||||
| 316 | L | 38 | Very low | 39.7 | Very low | 146 Ų | 146 | 148.2 Ų | 148.2 | 76% | 0.764 | 77% | 0.77 | S | S | * | * | trans | -87.3 | 120.8 | -170 | -66.9 | 154.2 | 0 | 0 | 0 | 111.3 | I314 K318 | I314-L316 HydrophobicContact CG2-CG 4.5Å; L316-K318 PolarHBondContact O-N 3.2Å | ||
| 317 | N | 35.5 | Very low | 40.4 | Very low | 169 Ų | 169 | 148.4 Ų | 148.4 | 90% | 0.904 | 78% | 0.775 | S | S | * | * | trans | -80.7 | 100.7 | 162.6 | -79.1 | -54.3 | 0 | 0 | 0 | 109.2 | S319 | N317-S319 PolarHBondContact O-N 3.33Š| ||
| 318 | K | 42 | Very low | 41.4 | Very low | 200 Ų | 200 | 150.9 Ų | 150.9 | 87% | 0.87 | 78% | 0.783 | S | S | * | * | trans | -87.2 | 96.4 | -161 | -172.9 | 176.8 | -175.5 | 174.5 | 0 | 112.2 | L316 | L316-K318 PolarHBondContact O-N 3.2Š| ||
| 319 | S | 44.3 | Very low | 41.8 | Very low | 110 Ų | 110 | 151.7 Ų | 151.7 | 77% | 0.769 | 78% | 0.779 | S | S | * | * | trans | -78.6 | 130 | 168.7 | 48.1 | 0 | 0 | 0 | 0 | 111.6 | N317 | N317-S319 PolarHBondContact O-N 3.33Š| ||
| 320 | L | 49.2 | Very low | 41.9 | Very low | 160 Ų | 160 | 152.2 Ų | 152.2 | 84% | 0.838 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -70.1 | 127.3 | 165.8 | -86.8 | 150.1 | 0 | 0 | 0 | 109.2 | ||
| 321 | N | 50 | Low | 41.6 | Very low | 135 Ų | 135 | 151.5 Ų | 151.5 | 72% | 0.722 | 79% | 0.794 | S | S | * | * | trans | 165.9 | -8.9 | 145.7 | -85.9 | -9.1 | 0 | 0 | 0 | 114.5 | R323 V324 | N321-R323 PolarHBondContact O-N 2.84Å; N321-V324 PolarHBondContact O-N 2.98Å | ||
| 322 | K | 50.1 | Low | 41.8 | Very low | 159 Ų | 159 | 152.5 Ų | 152.5 | 69% | 0.691 | 79% | 0.793 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.8 | -7.2 | -171.1 | -143.7 | -153.5 | 175.6 | -149.8 | 0 | 117.4 | ||
| 323 | R | 45.9 | Very low | 41.5 | Very low | 222 Ų | 222 | 155.2 Ų | 155.2 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.4 | 2.4 | -179.3 | -155.4 | -171.6 | -82.1 | 175.5 | -8.3 | 114.2 | N321 | N321-R323 PolarHBondContact O-N 2.84Š|
| 324 | V | 47.3 | Very low | 41.9 | Very low | 111 Ų | 111 | 156.3 Ų | 156.3 | 67% | 0.673 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -99.5 | -32.3 | 176.9 | 177.9 | 0 | 0 | 0 | 0 | 111.9 | N321 | N321-V324 PolarHBondContact O-N 2.98Š|
| 325 | E | 46.8 | Very low | 41.4 | Very low | 163 Ų | 163 | 154.8 Ų | 154.8 | 76% | 0.762 | 80% | 0.799 | S | S | * | * | G | 310 helix | trans | -81.5 | -19.7 | -174.3 | -157.3 | 162 | -155.7 | 0 | 0 | 112.9 | L327 | E325-L327 VanDerWaalsContact C-N 3.26Å; E325-L327 PolarHBondContact O-N 3.26Å |
| 326 | E | 46.4 | Very low | 41.2 | Very low | 134 Ų | 134 | 150.9 Ų | 150.9 | 63% | 0.626 | 80% | 0.796 | S | S | * | * | G | 310 helix | trans | -79.8 | 0.1 | -176.5 | -157.2 | 160.4 | -122 | 0 | 0 | 113.7 | ||
| 327 | L | 46.3 | Very low | 40.8 | Very low | 153 Ų | 153 | 152.2 Ų | 152.2 | 80% | 0.801 | 81% | 0.805 | S | S | * | * | G | 310 helix | trans | -115.6 | 11.2 | -178.4 | -69.4 | 177.3 | 0 | 0 | 0 | 114.3 | E325 | E325-L327 VanDerWaalsContact C-N 3.26Å; E325-L327 PolarHBondContact O-N 3.26Å |
| 328 | Q | 49.1 | Very low | 40.5 | Very low | 174 Ų | 174 | 149.8 Ų | 149.8 | 81% | 0.813 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -128 | 8.3 | -179.3 | -77.3 | -167.4 | -50.6 | 0 | 0 | 115.4 | ||
| 329 | Y | 39.9 | Very low | 40.1 | Very low | 198 Ų | 198 | 145.3 Ų | 145.3 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | trans | -149 | 74.9 | 178.8 | -141.6 | -85.5 | 0 | 0 | 0 | 114.2 | ||||
| 330 | M | 34 | Very low | 39.7 | Very low | 184 Ų | 184 | 145.2 Ų | 145.2 | 91% | 0.906 | 79% | 0.794 | S | S | * | * | trans | -151.4 | 102.5 | 164.2 | -82.9 | -69.6 | 97.4 | 0 | 0 | 107.6 | ||||
| 331 | G | 36 | Very low | 39.2 | Very low | 78 Ų | 78 | 145.1 Ų | 145.1 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | S | Bend | trans | 161.2 | 27 | -178.8 | 0 | 0 | 0 | 0 | 0 | 120 | ||
| 332 | D | 32.4 | Very low | 39.5 | Very low | 165 Ų | 165 | 143.8 Ų | 143.8 | 88% | 0.882 | 79% | 0.793 | S | S | * | * | trans | -158.8 | 178.4 | 149.9 | -140.8 | -31.7 | 0 | 0 | 0 | 111.3 | ||||
| 333 | E | 30.5 | Very low | 38.5 | Very low | 163 Ų | 163 | 144.6 Ų | 144.6 | 76% | 0.762 | 80% | 0.799 | S | S | * | * | trans | 62 | 89.8 | 177.6 | 81.1 | -176.6 | 137.7 | 0 | 0 | 118 | ||||
| 334 | S | 38.7 | Very low | 38 | Very low | 132 Ų | 132 | 139.7 Ų | 139.7 | 92% | 0.923 | 80% | 0.799 | S | S | * | * | trans | -154.3 | 109.9 | 151.1 | -78.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 335 | S | 31.4 | Very low | 37.5 | Very low | 120 Ų | 120 | 141.9 Ų | 141.9 | 84% | 0.839 | 81% | 0.807 | S | S | * | * | trans | -112.5 | 157.5 | -177.2 | 59.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 336 | A | 31.3 | Very low | 38.2 | Very low | 92 Ų | 92 | 139 Ų | 139 | 76% | 0.76 | 80% | 0.802 | S | S | * | * | trans | 67.7 | 95.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 337 | N | 29.8 | Very low | 37.6 | Very low | 175 Ų | 175 | 139 Ų | 139 | 94% | 0.936 | 81% | 0.811 | S | S | * | * | -152.5 | 168 | 108.2 | -106.2 | -28.3 | 0 | 0 | 0 | 111 | |||||
| 338 | S | 29.6 | Very low | 37.2 | Very low | 117 Ų | 117 | 136.8 Ų | 136.8 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | -124.4 | 176.9 | -156.6 | -165.5 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 339 | S | 34.3 | Very low | 37.6 | Very low | 107 Ų | 107 | 133.7 Ų | 133.7 | 75% | 0.748 | 80% | 0.804 | S | S | * | * | trans | 79.3 | 135.8 | 176 | -122 | 0 | 0 | 0 | 0 | 116 | ||||
| 340 | S | 34.7 | Very low | 37.4 | Very low | 107 Ų | 107 | 132.7 Ų | 132.7 | 75% | 0.748 | 81% | 0.809 | S | S | * | * | cis | -149.3 | 156.3 | 2.9 | -59.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 341 | D | 38.5 | Very low | 37.4 | Very low | 158 Ų | 158 | 128 Ų | 128 | 85% | 0.845 | 80% | 0.799 | S | S | * | * | trans | -83.1 | -177.9 | 164.2 | -72.4 | -73.5 | 0 | 0 | 0 | 112.6 | ||||
| 342 | P | 56 | Low | 37.1 | Very low | 107 Ų | 107 | 128.2 Ų | 128.2 | 70% | 0.695 | 80% | 0.801 | S | S | * | * | cis | -132.4 | 178.7 | -3.8 | 33.2 | -12.5 | 0 | 0 | 0 | 116.4 | ||||
| 343 | E | 30.8 | Very low | 37.3 | Very low | 176 Ų | 176 | 131.8 Ų | 131.8 | 82% | 0.822 | 80% | 0.802 | S | S | * | * | 135.6 | 148.7 | 119.1 | -161.5 | 144.1 | 97.2 | 0 | 0 | 117.7 | |||||
| 344 | S | 35.3 | Very low | 37.5 | Very low | 120 Ų | 120 | 133.5 Ų | 133.5 | 84% | 0.839 | 80% | 0.802 | S | S | * | * | trans | 82.3 | 117.1 | 168.5 | -66.9 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 345 | N | 35.9 | Very low | 37.3 | Very low | 156 Ų | 156 | 134.6 Ų | 134.6 | 83% | 0.834 | 79% | 0.792 | S | S | * | * | trans | -121 | 178.3 | 170.3 | -134.2 | -13.2 | 0 | 0 | 0 | 106.6 | ||||
| 346 | P | 61.6 | Low | 37.7 | Very low | 103 Ų | 103 | 137.5 Ų | 137.5 | 67% | 0.669 | 80% | 0.795 | S | S | * | * | cis | -126.5 | -168.2 | -31.6 | 41 | -26.1 | 0 | 0 | 0 | 111.1 | ||||
| 347 | T | 32.9 | Very low | 37.9 | Very low | 133 Ų | 133 | 138 Ų | 138 | 82% | 0.816 | 80% | 0.799 | S | S | * | * | trans | 172 | 126.9 | 131.1 | -75.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 348 | S | 38.8 | Very low | 38.2 | Very low | 107 Ų | 107 | 135.8 Ų | 135.8 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | trans | -95.9 | 169.6 | 170 | -34.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 349 | P | 56.8 | Low | 38.4 | Very low | 109 Ų | 109 | 136.6 Ų | 136.6 | 71% | 0.708 | 79% | 0.787 | S | S | * | * | -161.4 | 171.7 | 69.6 | 43.1 | -21.5 | 0 | 0 | 0 | 119.5 | |||||
| 350 | M | 35.8 | Very low | 38.5 | Very low | 178 Ų | 178 | 139.2 Ų | 139.2 | 88% | 0.877 | 79% | 0.785 | S | S | * | * | trans | 62.4 | 168.4 | 145.9 | -76.8 | 173.3 | 66.9 | 0 | 0 | 121.5 | ||||
| 351 | A | 34.9 | Very low | 38.5 | Very low | 85 Ų | 85 | 141.4 Ų | 141.4 | 70% | 0.702 | 79% | 0.787 | S | S | * | * | cis | -175.6 | 141.6 | -43.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 352 | G | 29.1 | Very low | 38.4 | Very low | 83 Ų | 83 | 139.1 Ų | 139.1 | 86% | 0.856 | 78% | 0.783 | S | S | * | * | trans | 79.2 | 165.3 | 169.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 353 | R | 37 | Very low | 38.2 | Very low | 239 Ų | 239 | 139.6 Ų | 139.6 | 90% | 0.902 | 79% | 0.786 | S | S | * | * | cis | -153.1 | 162.5 | 18.4 | -162.6 | 176.1 | -165 | -108.3 | 8.3 | 111.1 | ||||
| 354 | R | 34.3 | Very low | 38.4 | Very low | 200 Ų | 200 | 137 Ų | 137 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | trans | -76.8 | 157.3 | 180 | -49.8 | 175.6 | -61.2 | -146.6 | -1.7 | 113.2 | ||||
| 355 | H | 34.2 | Very low | 38.2 | Very low | 154 Ų | 154 | 135 Ų | 135 | 71% | 0.713 | 79% | 0.786 | S | S | * | * | 174.9 | 169.3 | 107.3 | -96.9 | -76.7 | 0 | 0 | 0 | 113.5 | |||||
| 356 | M | 40.3 | Very low | 38.1 | Very low | 182 Ų | 182 | 136.4 Ų | 136.4 | 90% | 0.897 | 79% | 0.787 | S | S | * | * | trans | -112.9 | 148.2 | -179.1 | -59.6 | 173.1 | 75.2 | 0 | 0 | 111.1 | ||||
| 357 | A | 34.8 | Very low | 36.9 | Very low | 102 Ų | 102 | 140.6 Ų | 140.6 | 84% | 0.843 | 80% | 0.798 | S | S | * | * | trans | -140.2 | 164.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 358 | T | 37.3 | Very low | 37 | Very low | 128 Ų | 128 | 141.2 Ų | 141.2 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | trans | -151.1 | 133.3 | -149 | 49.1 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 359 | N | 32.7 | Very low | 36.9 | Very low | 134 Ų | 134 | 143.3 Ų | 143.3 | 72% | 0.717 | 80% | 0.798 | S | S | * | * | trans | 74.5 | 160.8 | 138.7 | -155.5 | -3.4 | 0 | 0 | 0 | 119.2 | ||||
| 360 | K | 36.5 | Very low | 35.8 | Very low | 163 Ų | 163 | 147 Ų | 147 | 71% | 0.709 | 80% | 0.803 | S | S | * | * | trans | 74.6 | 151.8 | 169.5 | -46.8 | -66.4 | -176.9 | 168.6 | 0 | 116.5 | ||||
| 361 | L | 35.3 | Very low | 35.8 | Very low | 152 Ų | 152 | 146.5 Ų | 146.5 | 80% | 0.796 | 80% | 0.804 | S | S | * | * | cis | -162.3 | 178.8 | -20.4 | -113.6 | 177.2 | 0 | 0 | 0 | 110.4 | ||||
| 362 | S | 36.9 | Very low | 35.8 | Very low | 110 Ų | 110 | 147.7 Ų | 147.7 | 77% | 0.769 | 81% | 0.807 | S | S | * | * | trans | -119.9 | 157.6 | 178.1 | -46.7 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 363 | P | 50.9 | Low | 36.5 | Very low | 117 Ų | 117 | 149 Ų | 149 | 76% | 0.76 | 80% | 0.801 | S | S | * | * | trans | -132.6 | 148.4 | 140.8 | 17 | 4.4 | 0 | 0 | 0 | 111.5 | ||||
| 364 | S | 34.1 | Very low | 36.2 | Very low | 122 Ų | 122 | 145 Ų | 145 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | cis | 99.5 | 120 | 31.3 | 79.4 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 365 | G | 31.8 | Very low | 36.2 | Very low | 78 Ų | 78 | 140 Ų | 140 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | trans | 158.4 | 135.5 | 168.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 366 | H | 33.2 | Very low | 36.4 | Very low | 185 Ų | 185 | 138.3 Ų | 138.3 | 86% | 0.856 | 80% | 0.804 | S | S | * | * | trans | -120.4 | 153.2 | 178.4 | -64 | -90.5 | 0 | 0 | 0 | 112.3 | ||||
| 367 | Q | 37.7 | Very low | 36.7 | Very low | 191 Ų | 191 | 135.3 Ų | 135.3 | 89% | 0.893 | 80% | 0.798 | S | S | * | * | trans | -141.6 | 156.2 | 148.2 | -71.7 | -162 | -1.7 | 0 | 0 | 110.7 | ||||
| 368 | N | 33.8 | Very low | 36.7 | Very low | 147 Ų | 147 | 136.1 Ų | 136.1 | 79% | 0.786 | 80% | 0.796 | S | S | * | * | trans | -142.4 | 124.3 | -171.8 | -116.1 | -49.1 | 0 | 0 | 0 | 109.4 | ||||
| 369 | L | 38.3 | Very low | 36.5 | Very low | 150 Ų | 150 | 137.1 Ų | 137.1 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | trans | -149.5 | 93.5 | 168.2 | -71.2 | -178.8 | 0 | 0 | 0 | 113.3 | ||||
| 370 | F | 33.4 | Very low | 36.7 | Very low | 186 Ų | 186 | 135.4 Ų | 135.4 | 82% | 0.816 | 80% | 0.801 | S | S | * | * | trans | 65.1 | 153.3 | 136.6 | -66.4 | -73.1 | 0 | 0 | 0 | 125.1 | ||||
| 371 | L | 35.3 | Very low | 37.1 | Very low | 169 Ų | 169 | 133.9 Ų | 133.9 | 89% | 0.885 | 81% | 0.807 | S | S | * | * | trans | 85.1 | 103.1 | 159.3 | -68.6 | 156.6 | 0 | 0 | 0 | 120 | ||||
| 372 | S | 35.5 | Very low | 36.9 | Very low | 109 Ų | 109 | 136.9 Ų | 136.9 | 76% | 0.762 | 81% | 0.808 | S | S | * | * | trans | -80.7 | 164.2 | 154.7 | -45.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 373 | P | 43.8 | Very low | 36.7 | Very low | 112 Ų | 112 | 137.2 Ų | 137.2 | 73% | 0.727 | 81% | 0.811 | S | S | * | * | -150.7 | 150 | 95.3 | 38.2 | -21.2 | 0 | 0 | 0 | 117.7 | |||||
| 374 | N | 30.8 | Very low | 35.9 | Very low | 154 Ų | 154 | 135.4 Ų | 135.4 | 82% | 0.824 | 80% | 0.801 | S | S | * | * | trans | 58.2 | 128.8 | 138.5 | -61.2 | -12.4 | 0 | 0 | 0 | 124.2 | ||||
| 375 | A | 33.4 | Very low | 36.4 | Very low | 94 Ų | 94 | 135.9 Ų | 135.9 | 78% | 0.777 | 80% | 0.801 | S | S | * | * | trans | 71 | 91.7 | 132.3 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 376 | S | 39.6 | Very low | 36.5 | Very low | 119 Ų | 119 | 139.6 Ų | 139.6 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | trans | -73.3 | 141.6 | 145.7 | -47.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 377 | P | 45.3 | Very low | 36.6 | Very low | 119 Ų | 119 | 135.1 Ų | 135.1 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | trans | -109.3 | 124.7 | 158.1 | 34.1 | -25.6 | 0 | 0 | 0 | 111.5 | ||||
| 378 | C | 34.7 | Very low | 36.5 | Very low | 119 Ų | 119 | 133.6 Ų | 133.6 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | -88.9 | 143.6 | 159.8 | -60.1 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 379 | T | 33.8 | Very low | 36.8 | Very low | 149 Ų | 149 | 137.3 Ų | 137.3 | 91% | 0.914 | 79% | 0.792 | S | S | * | * | trans | -170.2 | 157.4 | 147.1 | 5.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 380 | S | 37.4 | Very low | 36.6 | Very low | 99 Ų | 99 | 140.3 Ų | 140.3 | 69% | 0.692 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -101.5 | 160.8 | 177.9 | 51.6 | 0 | 0 | 0 | 0 | 112.2 | ||
| 381 | P | 44.3 | Very low | 36.6 | Very low | 130 Ų | 130 | 134.6 Ų | 134.6 | 84% | 0.844 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -90.3 | 116.2 | 160.8 | 32.9 | -27.9 | 0 | 0 | 0 | 110.6 | ||
| 382 | W | 30.9 | Very low | 36.6 | Very low | 216 Ų | 216 | 133.4 Ų | 133.4 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -99 | 124.3 | 163.2 | 176.5 | -64.3 | 0 | 0 | 0 | 108.7 | S384 | W382-S384 PolarHBondContact NE1-OG 2.83Š|
| 383 | S | 32.3 | Very low | 36.6 | Very low | 117 Ų | 117 | 133.8 Ų | 133.8 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | -141.4 | 118.2 | 167 | -76.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 384 | S | 34.8 | Very low | 36.2 | Very low | 79 Ų | 79 | 138.4 Ų | 138.4 | 55% | 0.552 | 80% | 0.798 | S | S | * | * | trans | -81.6 | 171.8 | 173.4 | -52.3 | 0 | 0 | 0 | 0 | 111.3 | W382 | W382-S384 PolarHBondContact NE1-OG 2.83Š| ||
| 385 | P | 44.4 | Very low | 36.3 | Very low | 132 Ų | 132 | 139.6 Ų | 139.6 | 86% | 0.857 | 80% | 0.796 | S | S | * | * | -126.1 | 149.5 | 111.4 | 35.6 | -32.9 | 0 | 0 | 0 | 112.3 | |||||
| 386 | L | 33.4 | Very low | 36.4 | Very low | 156 Ų | 156 | 140.4 Ų | 140.4 | 82% | 0.817 | 80% | 0.795 | S | S | * | * | trans | -144.5 | 118.9 | 176.7 | -167 | 130 | 0 | 0 | 0 | 111.9 | ||||
| 387 | A | 35 | Very low | 36.8 | Very low | 91 Ų | 91 | 140.1 Ų | 140.1 | 75% | 0.752 | 79% | 0.791 | S | S | * | * | trans | -137.6 | 102.6 | 160.3 | 0 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 388 | Q | 36.7 | Very low | 36.2 | Very low | 158 Ų | 158 | 142.6 Ų | 142.6 | 74% | 0.738 | 80% | 0.797 | S | S | * | * | 59.1 | 128.4 | 99.7 | -66.2 | -169.7 | 5.7 | 0 | 0 | 113.1 | |||||
| 389 | R | 39.8 | Very low | 36 | Very low | 226 Ų | 226 | 141 Ų | 141 | 85% | 0.853 | 79% | 0.792 | S | S | * | * | cis | -142.7 | 170.8 | 35.7 | -61.8 | 171.7 | -171.8 | -124.8 | -5 | 113.1 | ||||
| 390 | K | 34.8 | Very low | 35.8 | Very low | 212 Ų | 212 | 142.8 Ų | 142.8 | 92% | 0.922 | 79% | 0.79 | S | S | * | * | trans | 5.6 | 137.2 | 159.7 | -61.1 | 178.5 | 174.7 | -176.7 | 0 | 118.9 | ||||
| 391 | G | 32.8 | Very low | 35.5 | Very low | 66 Ų | 66 | 145 Ų | 145 | 68% | 0.68 | 79% | 0.79 | S | S | * | * | cis | 155.7 | 155.1 | -4.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 392 | V | 34.8 | Very low | 34.8 | Very low | 144 Ų | 144 | 141.9 Ų | 141.9 | 87% | 0.873 | 78% | 0.781 | S | S | * | * | trans | 59.2 | 117.1 | 171.8 | -170 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 393 | S | 35.7 | Very low | 34.9 | Very low | 118 Ų | 118 | 141.2 Ų | 141.2 | 83% | 0.825 | 78% | 0.778 | S | S | * | * | trans | -111.6 | 126.3 | 160.9 | 174.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 394 | R | 34.8 | Very low | 35 | Very low | 208 Ų | 208 | 143.4 Ų | 143.4 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | trans | -151.1 | 109 | 167.7 | -82.5 | -160.9 | 164.4 | -168.8 | -5 | 111.9 | ||||
| 395 | K | 34.1 | Very low | 34.7 | Very low | 179 Ų | 179 | 146.7 Ų | 146.7 | 78% | 0.778 | 79% | 0.791 | S | S | * | * | trans | 39.3 | 130.8 | 143.9 | 47.2 | 172.4 | 176.3 | 172.3 | 0 | 121.6 | ||||
| 396 | S | 34.5 | Very low | 33.9 | Very low | 111 Ų | 111 | 146.2 Ų | 146.2 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | trans | -62 | -179.3 | 164.1 | -22.2 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 397 | P | 49.3 | Very low | 33.7 | Very low | 114 Ų | 114 | 143.5 Ų | 143.5 | 74% | 0.74 | 78% | 0.784 | S | S | * | * | cis | -138.5 | -165.8 | -1.3 | 42.1 | -23 | 0 | 0 | 0 | 115.7 | ||||
| 398 | L | 31.2 | Very low | 33.5 | Very low | 170 Ų | 170 | 145.1 Ų | 145.1 | 89% | 0.89 | 78% | 0.784 | S | S | * | * | trans | 85.5 | 171.4 | 156.2 | -119.1 | 75.8 | 0 | 0 | 0 | 120.8 | ||||
| 399 | A | 32.3 | Very low | 33.2 | Very low | 86 Ų | 86 | 143 Ų | 143 | 71% | 0.711 | 79% | 0.787 | S | S | * | * | trans | 70.3 | 128.5 | -161.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 400 | E | 29 | Very low | 34 | Very low | 186 Ų | 186 | 137.5 Ų | 137.5 | 87% | 0.869 | 78% | 0.781 | S | S | * | * | cis | 76.6 | 128.9 | 46.9 | -165.6 | 169.4 | -156.4 | 0 | 0 | 111.2 | ||||
| 401 | E | 30.3 | Very low | 33.8 | Very low | 146 Ų | 146 | 135 Ų | 135 | 68% | 0.682 | 77% | 0.772 | S | S | * | * | cis | -137.6 | 173.9 | 18.4 | -158.6 | -163.3 | 149.5 | 0 | 0 | 111 | R403 | E401-R403 IonicContact OE1-CZ 3.91Å; E401-R403 IonicContact OE1-NE 3.24Å; E401-R403 PolarHBondContact OE1-NE 3.22Å; E401-R403 IonicContact OE1-NH2 3.69Å; E401-R403 PolarHBondContact OE1-NH2 3.4Å | ||
| 402 | G | 30.1 | Very low | 33.8 | Very low | 64 Ų | 64 | 137.7 Ų | 137.7 | 66% | 0.66 | 77% | 0.77 | S | S | * | * | trans | 137.8 | 70.6 | 157.5 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 403 | R | 32.1 | Very low | 33.6 | Very low | 203 Ų | 203 | 138.4 Ų | 138.4 | 77% | 0.766 | 76% | 0.762 | S | S | * | * | trans | 27.3 | 134.7 | 134.3 | -49.2 | 175.7 | -168.4 | -105.3 | -10 | 118.6 | E401 | E401-R403 IonicContact OE1-CZ 3.91Å; E401-R403 IonicContact OE1-NE 3.24Å; E401-R403 PolarHBondContact OE1-NE 3.22Å; E401-R403 IonicContact OE1-NH2 3.69Å; E401-R403 PolarHBondContact OE1-NH2 3.4Å | ||
| 404 | L | 34 | Very low | 33.5 | Very low | 163 Ų | 163 | 142.3 Ų | 142.3 | 85% | 0.853 | 76% | 0.758 | S | S | * | * | cis | -148.4 | 177.7 | 41.5 | -75.7 | 166.7 | 0 | 0 | 0 | 113.1 | ||||
| 405 | N | 30.1 | Very low | 33.5 | Very low | 148 Ų | 148 | 141.5 Ų | 141.5 | 79% | 0.791 | 76% | 0.76 | S | S | * | * | trans | -112.7 | -179.5 | -168.5 | -55.7 | -6.6 | 0 | 0 | 0 | 113.9 | ||||
| 406 | C | 27.2 | Very low | 33.2 | Very low | 122 Ų | 122 | 137.5 Ų | 137.5 | 82% | 0.824 | 75% | 0.754 | S | S | * | * | trans | 79.8 | 147.1 | 164 | -59.3 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 407 | S | 28.8 | Very low | 33 | Very low | 98 Ų | 98 | 139.2 Ų | 139.2 | 69% | 0.685 | 75% | 0.751 | S | S | * | * | cis | -166.8 | 162.9 | -13.1 | 48.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 408 | T | 31.1 | Very low | 32.2 | Very low | 125 Ų | 125 | 140.3 Ų | 140.3 | 77% | 0.767 | 75% | 0.751 | S | S | * | * | trans | 43.6 | 117.5 | 148.8 | 52.2 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 409 | S | 30.9 | Very low | 32.1 | Very low | 115 Ų | 115 | 143.6 Ų | 143.6 | 80% | 0.804 | 75% | 0.753 | S | S | * | * | 18.4 | 161.2 | 121.3 | -73.1 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 410 | P | 55.5 | Low | 32.1 | Very low | 109 Ų | 109 | 144.4 Ų | 144.4 | 71% | 0.708 | 75% | 0.754 | S | S | * | * | cis | -141.7 | -159.4 | -37.7 | 37.2 | -15.3 | 0 | 0 | 0 | 113.1 | ||||
| 411 | E | 31.8 | Very low | 32.3 | Very low | 161 Ų | 161 | 141.2 Ų | 141.2 | 75% | 0.752 | 75% | 0.752 | S | S | * | * | trans | 106.7 | 114.4 | 152.7 | -56.8 | -126.9 | 120.7 | 0 | 0 | 123.6 | ||||
| 412 | I | 32.8 | Very low | 32.3 | Very low | 122 Ų | 122 | 141.3 Ų | 141.3 | 63% | 0.626 | 76% | 0.757 | S | S | * | * | trans | 27.4 | 124 | 130.9 | -25.9 | 172.7 | 0 | 0 | 0 | 121.7 | ||||
| 413 | F | 29.3 | Very low | 32.4 | Very low | 159 Ų | 159 | 142.9 Ų | 142.9 | 70% | 0.697 | 76% | 0.758 | S | S | * | * | 174 | 116.4 | 113.4 | -109.4 | -110.6 | 0 | 0 | 0 | 117.2 | |||||
| 414 | R | 34.9 | Very low | 32.4 | Very low | 200 Ų | 200 | 138.4 Ų | 138.4 | 76% | 0.755 | 76% | 0.758 | S | S | * | * | trans | 40.2 | 110 | 137.2 | -51.5 | -174.9 | -160.1 | -157.6 | 4.3 | 124.2 | ||||
| 415 | K | 33.3 | Very low | 32.6 | Very low | 190 Ų | 190 | 137.1 Ų | 137.1 | 83% | 0.826 | 76% | 0.756 | S | S | * | * | 80.8 | 144.3 | 110.1 | -164.8 | 178 | 178.4 | -178.3 | 0 | 122 | |||||
| 416 | C | 28.3 | Very low | 32.9 | Very low | 95 Ų | 95 | 136 Ų | 136 | 64% | 0.642 | 76% | 0.755 | S | S | * | * | trans | 73 | 149.3 | 170.6 | -76.3 | 0 | 0 | 0 | 0 | 117 | ||||
| 417 | M | 30.8 | Very low | 33.8 | Very low | 148 Ų | 148 | 136.8 Ų | 136.8 | 73% | 0.729 | 76% | 0.759 | S | S | * | * | cis | -160.1 | 159.9 | -26.5 | -154.8 | 98.3 | 99 | 0 | 0 | 109.1 | ||||
| 418 | D | 33 | Very low | 34.6 | Very low | 137 Ų | 137 | 137.5 Ų | 137.5 | 73% | 0.733 | 76% | 0.764 | S | S | * | * | trans | 31.2 | 111.4 | 157.2 | -55.2 | -24.4 | 0 | 0 | 0 | 121.1 | ||||
| 419 | Y | 28.9 | Very low | 35.6 | Very low | 238 Ų | 238 | 133.9 Ų | 133.9 | 93% | 0.933 | 75% | 0.751 | S | S | * | * | -159.2 | 151.4 | 123.7 | -132.1 | -101.3 | 0 | 0 | 0 | 111.5 | |||||
| 420 | S | 32.6 | Very low | 37.3 | Very low | 104 Ų | 104 | 131 Ų | 131 | 73% | 0.727 | 73% | 0.731 | S | S | * | * | trans | -102.3 | 131.6 | -178.8 | -66.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 421 | S | 33.1 | Very low | 37.5 | Very low | 118 Ų | 118 | 130.4 Ų | 130.4 | 83% | 0.825 | 73% | 0.727 | S | S | * | * | 171.8 | 141.2 | 122.7 | -76.9 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 422 | D | 28.9 | Very low | 38.5 | Very low | 149 Ų | 149 | 132.4 Ų | 132.4 | 80% | 0.797 | 73% | 0.728 | S | S | * | * | trans | 68.7 | 137.8 | 145.5 | -144.3 | 6.7 | 0 | 0 | 0 | 124.1 | ||||
| 423 | S | 33 | Very low | 40.6 | Very low | 96 Ų | 96 | 130 Ų | 130 | 67% | 0.671 | 72% | 0.719 | S | S | * | * | trans | 36 | 109.5 | 153.1 | -70.4 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 424 | S | 32 | Very low | 42.6 | Very low | 109 Ų | 109 | 131.2 Ų | 131.2 | 76% | 0.762 | 72% | 0.719 | S | S | * | * | -158.5 | 101.1 | 128.2 | 57 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 425 | V | 37.3 | Very low | 44.3 | Very low | 136 Ų | 136 | 130.1 Ų | 130.1 | 82% | 0.824 | 72% | 0.715 | S | S | * | * | 58.4 | 91.9 | 85.8 | -175.9 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 426 | T | 38.2 | Very low | 46 | Very low | 125 Ų | 125 | 129.5 Ų | 129.5 | 77% | 0.767 | 71% | 0.707 | S | S | * | * | trans | -122.4 | 134.8 | 160.7 | 52.1 | 0 | 0 | 0 | 0 | 110.1 | S428 | T426-S428 PolarHBondContact O-N 3.13Š| ||
| 427 | P | 45.5 | Very low | 48 | Very low | 139 Ų | 139 | 133.1 Ų | 133.1 | 90% | 0.903 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -85.6 | 70.2 | -168.7 | 34.1 | -36.8 | 0 | 0 | 0 | 113.4 | ||
| 428 | S | 46.3 | Very low | 49.7 | Very low | 113 Ų | 113 | 133.3 Ų | 133.3 | 79% | 0.79 | 71% | 0.706 | S | S | * | * | trans | -127.2 | 48.9 | 173.4 | -160.5 | 0 | 0 | 0 | 0 | 113 | T426 S430 | T426-S428 PolarHBondContact O-N 3.13Å; S428-S430 PolarHBondContact O-N 3.04Å | ||
| 429 | G | 50.8 | Low | 51.1 | Low | 49 Ų | 49 | 130.3 Ų | 130.3 | 51% | 0.505 | 70% | 0.701 | S | S | . | * | trans | -83.6 | 87.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 430 | S | 66.6 | Low | 52.4 | Low | 53 Ų | 53 | 125.6 Ų | 125.6 | 37% | 0.371 | 69% | 0.687 | S | S | . | * | trans | -60.1 | 152.3 | 179.9 | 88.8 | 0 | 0 | 0 | 0 | 112.6 | S428 W432 V433 R434 | S428-S430 PolarHBondContact O-N 3.04Å; S430-W432 PolarHBondContact O-N 3.26Å; S430-V433 PolarHBondContact O-N 3.38Å; S430-R434 PolarHBondContact O-N 3.34Å | ||
| 431 | P | 61.1 | Low | 53.2 | Low | 97 Ų | 97 | 128.3 Ų | 128.3 | 63% | 0.63 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -56.6 | -28.2 | -176.3 | -27.5 | 35.7 | 0 | 0 | 0 | 114.4 | R435 | P431-R435 PolarHBondContact O-N 3.48Å |
| 432 | W | 51.7 | Low | 54 | Low | 203 Ų | 203 | 125.4 Ų | 125.4 | 77% | 0.769 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -71.5 | -34.6 | 177.6 | -70.4 | 91.5 | 0 | 0 | 0 | 113.2 | S430 R436 | S430-W432 PolarHBondContact O-N 3.26Å; W432-R436 PolarHBondContact O-N 3.22Å; W432-R436 VanDerWaalsContact O-N 3.13Å |
| 433 | V | 77.8 | Confident | 54.6 | Low | 72 Ų | 72 | 124.7 Ų | 124.7 | 44% | 0.436 | 68% | 0.68 | S | S | . | * | H | α-helix | trans | -71.2 | -40.8 | 178.3 | 178.4 | 0 | 0 | 0 | 0 | 110.8 | S430 R436 R437 | S430-V433 PolarHBondContact O-N 3.38Å; V433-R436 PolarHBondContact O-N 3.23Å; V433-R437 PolarHBondContact O-N 2.96Å |
| 434 | R | 70.8 | Confident | 54.9 | Low | 185 Ų | 185 | 128.2 Ų | 128.2 | 70% | 0.698 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -58.8 | -47.7 | 172.6 | -94.9 | -177.8 | 157.8 | 118.5 | -6.4 | 111.9 | S430 R436 R437 Q438 | S430-R434 PolarHBondContact O-N 3.34Å; R434-R436 VanDerWaalsContact C-N 3.28Å; R434-R436 PolarHBondContact O-N 3.15Å; R434-R437 PolarHBondContact O-N 3.3Å; R434-Q438 PolarHBondContact O-N 3.46Å |
| 435 | R | 70 | Confident | 55 | Low | 177 Ų | 177 | 130 Ų | 130 | 67% | 0.668 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -62.4 | -32.4 | 179.7 | -160.2 | -173.7 | -59.3 | -94.5 | 3.6 | 112.7 | P431 | P431-R435 PolarHBondContact O-N 3.48Å |
| 436 | R | 70.1 | Confident | 54.9 | Low | 177 Ų | 177 | 131 Ų | 131 | 67% | 0.668 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -69.4 | -50.6 | 175.7 | -170.7 | 176.5 | -63 | 177.4 | 0.7 | 112.3 | W432 V433 R434 Q438 A439 E440 | W432-R436 PolarHBondContact O-N 3.22Å; W432-R436 VanDerWaalsContact O-N 3.13Å; V433-R436 PolarHBondContact O-N 3.23Å; R434-R436 VanDerWaalsContact C-N 3.28Å; R434-R436 PolarHBondContact O-N 3.15Å; R436-Q438 VanDerWaalsContact C-N 3.26Å; R436-Q438 PolarHBondContact O-N 2.83Å; R436-A439 WeakPolarHBondContact O-CB 3.35Å; R436-A439 PolarHBondContact O-N 3.17Å; R436-E440 PolarHBondContact O-N 3.34Å |
| 437 | R | 69.8 | Low | 54.9 | Low | 170 Ų | 170 | 130.5 Ų | 130.5 | 64% | 0.642 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -58.5 | -37.9 | 179.4 | -67.5 | -166.5 | -169.9 | -161.6 | 4.4 | 112.6 | V433 R434 A439 E440 M441 | V433-R437 PolarHBondContact O-N 2.96Å; R434-R437 PolarHBondContact O-N 3.3Å; R437-A439 PolarHBondContact O-N 2.82Å; R437-E440 WeakPolarHBondContact CA-OE2 3.42Å; R437-E440 PolarHBondContact O-N 3.29Å; R437-E440 VanDerWaalsContact O-N 3.17Å; R437-M441 WeakPolarHBondContact O-CG 3.35Å; R437-M441 PolarHBondContact O-N 3.16Å; R437-M441 VanDerWaalsContact O-N 3.15Å |
| 438 | Q | 67.3 | Low | 54.9 | Low | 153 Ų | 153 | 130.1 Ų | 130.1 | 72% | 0.715 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -66.5 | -20.6 | 177 | -74.1 | -176.7 | -34.2 | 0 | 0 | 113.9 | R434 R436 | R434-Q438 PolarHBondContact O-N 3.46Å; R436-Q438 VanDerWaalsContact C-N 3.26Å; R436-Q438 PolarHBondContact O-N 2.83Å |
| 439 | A | 62.3 | Low | 54.4 | Low | 74 Ų | 74 | 128.2 Ų | 128.2 | 61% | 0.612 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -82.2 | -34.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | R436 R437 M441 G442 | R436-A439 WeakPolarHBondContact O-CB 3.35Å; R436-A439 PolarHBondContact O-N 3.17Å; R437-A439 PolarHBondContact O-N 2.82Å; A439-M441 VanDerWaalsContact C-N 3.31Å; A439-M441 PolarHBondContact O-N 3.28Å; A439-G442 PolarHBondContact O-N 2.8Å |
| 440 | E | 54.3 | Low | 53.5 | Low | 138 Ų | 138 | 133.3 Ų | 133.3 | 65% | 0.645 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -71.6 | -24.5 | 179.1 | -68.1 | 165.5 | 145.1 | 0 | 0 | 112.8 | R436 R437 G442 | R436-E440 PolarHBondContact O-N 3.34Å; R437-E440 WeakPolarHBondContact CA-OE2 3.42Å; R437-E440 PolarHBondContact O-N 3.29Å; R437-E440 VanDerWaalsContact O-N 3.17Å; E440-G442 VanDerWaalsContact C-N 3.28Å; E440-G442 PolarHBondContact O-N 3Å |
| 441 | M | 50.3 | Low | 51.9 | Low | 162 Ų | 162 | 136 Ų | 136 | 80% | 0.798 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.1 | 4.5 | 176.2 | -63.5 | 172.6 | 71.5 | 0 | 0 | 113.7 | R437 A439 | R437-M441 WeakPolarHBondContact O-CG 3.35Å; R437-M441 PolarHBondContact O-N 3.16Å; R437-M441 VanDerWaalsContact O-N 3.15Å; A439-M441 VanDerWaalsContact C-N 3.31Å; A439-M441 PolarHBondContact O-N 3.28Å |
| 442 | G | 50 | Low | 51.5 | Low | 57 Ų | 57 | 136.9 Ų | 136.9 | 59% | 0.588 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -96.3 | 2.6 | -164.1 | 0 | 0 | 0 | 0 | 0 | 117.7 | A439 E440 | A439-G442 PolarHBondContact O-N 2.8Å; E440-G442 VanDerWaalsContact C-N 3.28Å; E440-G442 PolarHBondContact O-N 3Å |
| 443 | T | 42.2 | Very low | 50.7 | Low | 133 Ų | 133 | 135.5 Ų | 135.5 | 82% | 0.816 | 73% | 0.725 | S | S | * | * | trans | -141.1 | 87 | -178.5 | 52 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 444 | Q | 38.6 | Very low | 49 | Very low | 170 Ų | 170 | 139.6 Ų | 139.6 | 79% | 0.794 | 74% | 0.743 | S | S | * | * | trans | -124.7 | 111.6 | 156.3 | -106.2 | -77.8 | -9.8 | 0 | 0 | 107 | ||||
| 445 | E | 33.5 | Very low | 47.4 | Very low | 147 Ų | 147 | 136.5 Ų | 136.5 | 69% | 0.687 | 75% | 0.75 | S | S | * | * | trans | -164.6 | 152.9 | 148.2 | -100.4 | -54.2 | 81.7 | 0 | 0 | 108.3 | ||||
| 446 | K | 36.7 | Very low | 46.2 | Very low | 158 Ų | 158 | 138.8 Ų | 138.8 | 69% | 0.687 | 76% | 0.759 | S | S | * | * | trans | -80.9 | 152.8 | -158.2 | -48.9 | 94.1 | -175 | 167.3 | 0 | 113.7 | ||||
| 447 | S | 36.7 | Very low | 45.2 | Very low | 114 Ų | 114 | 138.5 Ų | 138.5 | 80% | 0.797 | 76% | 0.762 | S | S | * | * | trans | -66.4 | 159.1 | 160.8 | -47.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 448 | P | 46.8 | Very low | 44 | Very low | 131 Ų | 131 | 138.6 Ų | 138.6 | 85% | 0.851 | 77% | 0.772 | S | S | * | * | -124.9 | 159.6 | 101.6 | 36.6 | -33.6 | 0 | 0 | 0 | 112.4 | |||||
| 449 | G | 35.3 | Very low | 43.1 | Very low | 72 Ų | 72 | 136.7 Ų | 136.7 | 74% | 0.742 | 76% | 0.763 | S | S | * | * | trans | -102.4 | 155.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 450 | V | 31.3 | Very low | 42.5 | Very low | 156 Ų | 156 | 137.5 Ų | 137.5 | 95% | 0.945 | 76% | 0.761 | S | S | * | * | trans | -160.6 | 146.6 | 150.2 | 138.4 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 451 | S | 32.3 | Very low | 42.5 | Very low | 109 Ų | 109 | 136.6 Ų | 136.6 | 76% | 0.762 | 78% | 0.776 | S | S | * | * | trans | -147.2 | 164.4 | 170.6 | 62.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 452 | P | 54.2 | Low | 42.9 | Very low | 116 Ų | 116 | 133.4 Ų | 133.4 | 75% | 0.753 | 76% | 0.763 | S | S | * | * | cis | -118.2 | 165.4 | -13.1 | 39.4 | -28.2 | 0 | 0 | 0 | 112.4 | ||||
| 453 | L | 33.6 | Very low | 43.4 | Very low | 174 Ų | 174 | 132.5 Ų | 132.5 | 91% | 0.911 | 75% | 0.753 | S | S | * | * | trans | -158 | 160.3 | 145.6 | -102.2 | -167.5 | 0 | 0 | 0 | 111.8 | ||||
| 454 | L | 42.6 | Very low | 44.2 | Very low | 159 Ų | 159 | 127.6 Ų | 127.6 | 83% | 0.832 | 72% | 0.722 | S | S | * | * | trans | -74.6 | 129.5 | -175.7 | -65.1 | 158.8 | 0 | 0 | 0 | 112.1 | ||||
| 455 | S | 38.4 | Very low | 45.3 | Very low | 119 Ų | 119 | 123.5 Ų | 123.5 | 83% | 0.832 | 71% | 0.71 | S | S | * | * | 159.6 | 158.1 | 126.5 | -77.4 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 456 | R | 43.8 | Very low | 46.5 | Very low | 226 Ų | 226 | 124 Ų | 124 | 85% | 0.853 | 72% | 0.723 | S | S | * | * | trans | 76.5 | 99.5 | 151.1 | -140.7 | 171.6 | -153.3 | 174.2 | 6.7 | 119 | M458 | R456-M458 PolarHBondContact O-N 3.37Š| ||
| 457 | K | 49 | Very low | 47.9 | Very low | 170 Ų | 170 | 120.1 Ų | 120.1 | 74% | 0.739 | 73% | 0.728 | S | S | * | * | trans | -41.5 | 100.8 | 157.7 | 177.9 | -176.7 | 177.3 | -178.8 | 0 | 111.9 | Q459 | K457-Q459 HydrophobicContact CG-CG 4.4Å; K457-Q459 PolarHBondContact O-N 3.07Å | ||
| 458 | M | 43.9 | Very low | 49.3 | Very low | 172 Ų | 172 | 117.5 Ų | 117.5 | 85% | 0.847 | 71% | 0.707 | S | S | * | * | trans | -72.6 | 96.2 | 175.2 | -73.4 | -95.2 | 68 | 0 | 0 | 110.5 | R456 | R456-M458 PolarHBondContact O-N 3.37Š| ||
| 459 | Q | 49.2 | Very low | 50.3 | Low | 114 Ų | 114 | 119.5 Ų | 119.5 | 53% | 0.533 | 71% | 0.709 | S | S | . | * | trans | -85 | 141.8 | 160.7 | -71.9 | 169.4 | 93.2 | 0 | 0 | 108.4 | K457 | K457-Q459 HydrophobicContact CG-CG 4.4Å; K457-Q459 PolarHBondContact O-N 3.07Å | ||
| 460 | T | 49.6 | Very low | 51.7 | Low | 91 Ų | 91 | 125.8 Ų | 125.8 | 56% | 0.558 | 71% | 0.711 | S | S | * | * | trans | -61.3 | 160.5 | 156.3 | 48.5 | 0 | 0 | 0 | 0 | 109.1 | D462 G463 L464 | T460-D462 PolarHBondContact O-N 3.24Å; T460-G463 PolarHBondContact O-N 3.06Å; T460-L464 PolarHBondContact OG1-O 3.43Å | ||
| 461 | A | 54.1 | Low | 53.6 | Low | 118 Ų | 118 | 121.8 Ų | 121.8 | 98% | 0.975 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.9 | -14 | -172.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 462 | D | 59.2 | Low | 54.8 | Low | 96 Ų | 96 | 120.7 Ų | 120.7 | 51% | 0.513 | 67% | 0.674 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -105.4 | 2.7 | 179 | -114.6 | -62.6 | 0 | 0 | 0 | 114.6 | T460 L464 R479 | T460-D462 PolarHBondContact O-N 3.24Å; D462-L464 VanDerWaalsContact C-N 3.26Å; D462-L464 HydrophobicContact CB-CG 4.44Å; D462-L464 PolarHBondContact O-N 3.13Å; D462-R479 PolarHBondContact O-NH2 3.03Å; D462-R479 IonicContact OD1-CZ 3.85Å; D462-R479 IonicContact OD1-NH1 2.8Å; D462-R479 PolarHBondContact OD1-NH1 3.22Å; D462-R479 IonicContact OD1-NH2 2.7Å; D462-R479 PolarHBondContact OD1-NH2 2.69Å |
| 463 | G | 60.6 | Low | 55.2 | Low | 38 Ų | 38 | 123.2 Ų | 123.2 | 39% | 0.392 | 67% | 0.669 | S | S | . | * | trans | 71.2 | 9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 116 | T460 | T460-G463 PolarHBondContact O-N 3.06Š| ||
| 464 | L | 58.3 | Low | 56.7 | Low | 29 Ų | 29 | 115.4 Ų | 115.4 | 15% | 0.152 | 63% | 0.63 | C | S | . | * | P | Polyproline II helix | trans | -89 | 140.8 | -173.6 | -60.3 | -178.3 | 0 | 0 | 0 | 112.7 | T460 D462 V468 L471 | T460-L464 PolarHBondContact OG1-O 3.43Å; D462-L464 VanDerWaalsContact C-N 3.26Å; D462-L464 HydrophobicContact CB-CG 4.44Å; D462-L464 PolarHBondContact O-N 3.13Å; L464-V468 WeakPolarHBondContact CD1-O 3.38Å; L464-L471 HydrophobicContact CD2-CD1 4.03Å; L464-L471 HydrophobicContact CD2-CG 3.77Å |
| 465 | P | 62.2 | Low | 57.8 | Low | 84 Ų | 84 | 113.6 Ų | 113.6 | 55% | 0.545 | 63% | 0.628 | S | S | . | * | P | Polyproline II helix | trans | -70 | 151.7 | 173.1 | 30.4 | -34.4 | 0 | 0 | 0 | 111.5 | G467 V468 | P465-G467 PolarHBondContact O-N 3.2Å; P465-V468 HydrophobicContact CG-CB 4.16Å; P465-V468 HydrophobicContact CG-CG2 3.89Å; P465-V468 PolarHBondContact O-N 3.47Å; P465-V468 VanDerWaalsContact O-N 3.07Å |
| 466 | V | 59.6 | Low | 59.1 | Low | 157 Ų | 157 | 113.8 Ų | 113.8 | 95% | 0.952 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.8 | 126.3 | -177 | -179.3 | 0 | 0 | 0 | 0 | 110.9 | ||
| 467 | G | 64.1 | Low | 59.8 | Low | 77 Ų | 77 | 108.2 Ų | 108.2 | 79% | 0.794 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 95.8 | -9.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | P465 | P465-G467 PolarHBondContact O-N 3.2Š|
| 468 | V | 66.7 | Low | 60.8 | Low | 59 Ų | 59 | 103.7 Ų | 103.7 | 36% | 0.358 | 59% | 0.593 | S | S | . | * | trans | -100.8 | 108.6 | 177.9 | 179.5 | 0 | 0 | 0 | 0 | 110.8 | L464 P465 L471 | L464-V468 WeakPolarHBondContact CD1-O 3.38Å; P465-V468 HydrophobicContact CG-CB 4.16Å; P465-V468 HydrophobicContact CG-CG2 3.89Å; P465-V468 PolarHBondContact O-N 3.47Å; P465-V468 VanDerWaalsContact O-N 3.07Å; V468-L471 HydrophobicContact CG1-CD2 4.4Å | ||
| 469 | L | 67.6 | Low | 61.3 | Low | 173 Ų | 173 | 101.7 Ų | 101.7 | 91% | 0.906 | 58% | 0.576 | S | S | * | * | S | Bend | trans | -74.1 | -29.1 | -179.6 | -85 | 151.9 | 0 | 0 | 0 | 114.2 | ||
| 470 | R | 64.4 | Low | 61.8 | Low | 204 Ų | 204 | 97 Ų | 97 | 77% | 0.77 | 56% | 0.558 | S | S | * | * | trans | -163.9 | 148.9 | 170.7 | 57.9 | -175.8 | 178.3 | 91.2 | -4.6 | 111 | ||||
| 471 | L | 72.1 | Confident | 61.9 | Low | 72 Ų | 72 | 100.9 Ų | 100.9 | 38% | 0.377 | 57% | 0.567 | S | S | . | * | P | Polyproline II helix | trans | -76.6 | 152.9 | 167.5 | -67 | 172.8 | 0 | 0 | 0 | 110.8 | L464 V468 | L464-L471 HydrophobicContact CD2-CD1 4.03Å; L464-L471 HydrophobicContact CD2-CG 3.77Å; V468-L471 HydrophobicContact CG1-CD2 4.4Å |
| 472 | P | 58.2 | Low | 61.8 | Low | 86 Ų | 86 | 103.2 Ų | 103.2 | 56% | 0.558 | 56% | 0.558 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 142.7 | 163.1 | 29 | -34 | 0 | 0 | 0 | 109.9 | ||
| 473 | R | 61.1 | Low | 61 | Low | 170 Ų | 170 | 102.1 Ų | 102.1 | 64% | 0.642 | 57% | 0.569 | S | S | * | * | B | Isolated β-bridge | trans | -79.8 | 144.7 | 170.5 | -69.1 | -168.4 | 178.8 | -167.4 | -2.2 | 109.8 | N477 T478 | R473-N477 VanDerWaalsContact CD-OD1 3.26Å; R473-N477 WeakPolarHBondContact CD-OD1 3.47Å; R473-N477 PolarHBondContact NH1-OD1 2.87Å; R473-T478 WeakPolarHBondContact CA-O 3.26Å |
| 474 | G | 66.5 | Low | 60.1 | Low | 10 Ų | 10 | 109.3 Ų | 109.3 | 10% | 0.103 | 59% | 0.592 | C | S | . | * | P | Polyproline II helix | trans | -70.8 | 169.9 | 163.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | D476 N477 T478 | G474-D476 PolarHBondContact O-N 2.91Å; G474-N477 PolarHBondContact O-N 2.71Å; G474-N477 VanDerWaalsContact O-N 3.12Å; G474-T478 PolarHBondContact N-O 2.9Å; G474-T478 VanDerWaalsContact N-O 3.15Å |
| 475 | P | 66.2 | Low | 59.2 | Low | 120 Ų | 120 | 116.7 Ų | 116.7 | 78% | 0.779 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.2 | -31.2 | 173.2 | 25.2 | -33.5 | 0 | 0 | 0 | 111.9 | N477 | P475-N477 PolarHBondContact O-N 2.93Å; P475-N477 VanDerWaalsContact O-N 3.13Å |
| 476 | D | 64.3 | Low | 58.2 | Low | 124 Ų | 124 | 124.1 Ų | 124.1 | 66% | 0.663 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | 16 | -179.5 | -31.6 | -60.9 | 0 | 0 | 0 | 113.1 | G474 T478 | G474-D476 PolarHBondContact O-N 2.91Å; D476-T478 PolarHBondContact O-N 3.12Å |
| 477 | N | 59.4 | Low | 57.2 | Low | 109 Ų | 109 | 122.4 Ų | 122.4 | 58% | 0.583 | 64% | 0.638 | S | S | * | * | S | Bend | trans | 62.2 | 0.7 | -177.7 | -113.4 | -29.6 | 0 | 0 | 0 | 116.6 | R473 G474 P475 | R473-N477 VanDerWaalsContact CD-OD1 3.26Å; R473-N477 WeakPolarHBondContact CD-OD1 3.47Å; R473-N477 PolarHBondContact NH1-OD1 2.87Å; G474-N477 PolarHBondContact O-N 2.71Å; G474-N477 VanDerWaalsContact O-N 3.12Å; P475-N477 PolarHBondContact O-N 2.93Å; P475-N477 VanDerWaalsContact O-N 3.13Å |
| 478 | T | 68.9 | Low | 56 | Low | 75 Ų | 75 | 130.4 Ų | 130.4 | 46% | 0.46 | 64% | 0.644 | S | S | . | * | trans | -73.4 | 156 | 179.9 | 53.5 | 0 | 0 | 0 | 0 | 113.4 | R473 G474 D476 G480 | R473-T478 WeakPolarHBondContact CA-O 3.26Å; G474-T478 PolarHBondContact N-O 2.9Å; G474-T478 VanDerWaalsContact N-O 3.15Å; D476-T478 PolarHBondContact O-N 3.12Å; T478-G480 PolarHBondContact O-N 3.15Å; T478-G480 VanDerWaalsContact O-N 3.12Å | ||
| 479 | R | 54.5 | Low | 54.8 | Low | 130 Ų | 130 | 132.3 Ų | 132.3 | 49% | 0.491 | 67% | 0.666 | S | S | . | * | B | Isolated β-bridge | trans | -82.5 | 82 | 179.3 | -72.4 | 174.6 | 71.9 | 151.5 | -0.4 | 111.3 | D462 | D462-R479 PolarHBondContact O-NH2 3.03Å; D462-R479 IonicContact OD1-CZ 3.85Å; D462-R479 IonicContact OD1-NH1 2.8Å; D462-R479 PolarHBondContact OD1-NH1 3.22Å; D462-R479 IonicContact OD1-NH2 2.7Å; D462-R479 PolarHBondContact OD1-NH2 2.69Å |
| 480 | G | 60.2 | Low | 53.4 | Low | 14 Ų | 14 | 130.1 Ų | 130.1 | 14% | 0.144 | 66% | 0.664 | C | S | . | * | S | Bend | trans | 87.6 | 153.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | T478 H482 | T478-G480 PolarHBondContact O-N 3.15Å; T478-G480 VanDerWaalsContact O-N 3.12Å; G480-H482 PolarHBondContact O-N 3.22Å; G480-H482 PolarHBondContact O-ND1 3.12Å |
| 481 | F | 50.9 | Low | 52 | Low | 173 Ų | 173 | 130.8 Ų | 130.8 | 76% | 0.759 | 69% | 0.69 | S | S | * | * | trans | -71.6 | 108 | -175.3 | -58.3 | -81.1 | 0 | 0 | 0 | 111.7 | ||||
| 482 | H | 53.2 | Low | 51 | Low | 167 Ų | 167 | 133.7 Ų | 133.7 | 77% | 0.773 | 71% | 0.705 | S | S | * | * | trans | -94.2 | 110.7 | 174.5 | -72.2 | 63.7 | 0 | 0 | 0 | 109.5 | G480 | G480-H482 PolarHBondContact O-N 3.22Å; G480-H482 PolarHBondContact O-ND1 3.12Å | ||
| 483 | G | 42.8 | Very low | 50.6 | Low | 73 Ų | 73 | 136.2 Ų | 136.2 | 75% | 0.753 | 71% | 0.713 | S | S | * | * | trans | -75.6 | 128.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | E485 | G483-E485 PolarHBondContact O-N 3Š| ||
| 484 | H | 40.7 | Very low | 50 | Low | 189 Ų | 189 | 134.3 Ų | 134.3 | 88% | 0.875 | 72% | 0.717 | S | S | * | * | trans | -73.8 | 105.9 | 177.7 | -119.8 | -70.3 | 0 | 0 | 0 | 110.5 | R486 | H484-R486 PolarHBondContact O-N 3.13Š| ||
| 485 | E | 39.1 | Very low | 49.1 | Very low | 184 Ų | 184 | 141.6 Ų | 141.6 | 86% | 0.86 | 75% | 0.753 | S | S | * | * | trans | -66.8 | 129.3 | 163.8 | -69.4 | -172.2 | 121 | 0 | 0 | 109.3 | G483 | G483-E485 PolarHBondContact O-N 3Š| ||
| 486 | R | 42.3 | Very low | 48 | Very low | 241 Ų | 241 | 143 Ų | 143 | 91% | 0.909 | 75% | 0.752 | S | S | * | * | trans | -94 | 107.3 | 168.6 | -82.7 | -173 | 172.8 | -177.4 | -1.8 | 108.9 | H484 R488 | H484-R486 PolarHBondContact O-N 3.13Å; R486-R488 PolarHBondContact O-N 2.74Å | ||
| 487 | S | 38.1 | Very low | 46.9 | Very low | 120 Ų | 120 | 144.3 Ų | 144.3 | 84% | 0.839 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 129.1 | 171 | -49.4 | 0 | 0 | 0 | 0 | 110.9 | ||
| 488 | R | 39.8 | Very low | 46 | Very low | 246 Ų | 246 | 146.8 Ų | 146.8 | 93% | 0.928 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 123 | 160.7 | -83.3 | -178.3 | 159.4 | -177.2 | -7.6 | 108.1 | R486 | R486-R488 PolarHBondContact O-N 2.74Š|
| 489 | A | 40.1 | Very low | 44.3 | Very low | 98 Ų | 98 | 152.3 Ų | 152.3 | 81% | 0.81 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 149.6 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 490 | C | 37.8 | Very low | 43.4 | Very low | 128 Ų | 128 | 154.2 Ų | 154.2 | 87% | 0.865 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -103.1 | 116 | 167.4 | -60.8 | 0 | 0 | 0 | 0 | 109.1 | ||
| 491 | V | 36.2 | Very low | 41.9 | Very low | 217 Ų | 217 | 166.9 Ų | 166.9 | 100% | 1.315 | 88% | 0.881 | S | S | * | * | trans | -141.1 | 0 | 149.9 | -177.1 | 0 | 0 | 0 | 0 | 105.6 |
Retrieved 491 of 491 residues in 1047.3 ms
(Link to these results)