| 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 | 50.5 | Low | 49.6 | Very low | 250 Ų | 250 | 170.7 Ų | 170.7 | 100% | 1.232 | 90% | 0.899 | S | S | * | * | 0 | 109.1 | 0 | -69.4 | 164.1 | 174.8 | 0 | 0 | 105.7 | |||||
| 2 | A | 46.1 | Very low | 49.5 | Very low | 108 Ų | 108 | 164.8 Ų | 164.8 | 89% | 0.893 | 88% | 0.882 | S | S | * | * | cis | -142.2 | 123.1 | 18.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 3 | A | 46.9 | Very low | 49.3 | Very low | 92 Ų | 92 | 165.8 Ų | 165.8 | 76% | 0.76 | 89% | 0.886 | S | S | * | * | trans | -125.6 | 139.5 | 166.4 | 0 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 4 | R | 52.8 | Low | 48.5 | Very low | 242 Ų | 242 | 158.7 Ų | 158.7 | 91% | 0.913 | 87% | 0.871 | S | S | * | * | trans | 86.9 | 86.8 | 178.1 | -50.1 | 174.4 | 179.1 | 174.3 | -0 | 115.8 | ||||
| 5 | V | 57.3 | Low | 48.8 | Very low | 132 Ų | 132 | 164.9 Ų | 164.9 | 80% | 0.8 | 88% | 0.877 | S | S | * | * | -164.2 | 102.8 | 129.3 | -171 | 0 | 0 | 0 | 0 | 103.5 | |||||
| 6 | L | 50.4 | Low | 48.4 | Very low | 166 Ų | 166 | 161.9 Ų | 161.9 | 87% | 0.869 | 87% | 0.869 | S | S | * | * | -175.7 | 63.7 | 105.8 | -82.5 | 168.9 | 0 | 0 | 0 | 108.9 | |||||
| 7 | Q | 50.3 | Low | 48.4 | Very low | 195 Ų | 195 | 158.9 Ų | 158.9 | 91% | 0.911 | 86% | 0.864 | S | S | * | * | trans | -98.2 | 94.7 | 153.4 | -83.5 | -169 | -21.8 | 0 | 0 | 106.9 | ||||
| 8 | Q | 50.2 | Low | 48.3 | Very low | 184 Ų | 184 | 159.6 Ų | 159.6 | 86% | 0.86 | 87% | 0.866 | S | S | * | * | trans | -171.6 | 95.1 | 161 | -108.8 | 164.5 | 11 | 0 | 0 | 108.8 | ||||
| 9 | C | 45.1 | Very low | 48 | Very low | 137 Ų | 137 | 162.8 Ų | 162.8 | 93% | 0.926 | 86% | 0.864 | S | S | * | * | trans | -177.2 | 55.4 | 138.2 | -94.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 10 | V | 50.9 | Low | 47.7 | Very low | 141 Ų | 141 | 162.2 Ų | 162.2 | 86% | 0.855 | 86% | 0.86 | S | S | * | * | trans | -102.6 | 111.6 | 150.7 | 174.7 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 11 | R | 44.8 | Very low | 47.2 | Very low | 231 Ų | 231 | 160.2 Ų | 160.2 | 87% | 0.872 | 86% | 0.858 | S | S | * | * | trans | -174.8 | 112.6 | 144.2 | -101 | 160.8 | -165.2 | -151.1 | 3.8 | 111.2 | ||||
| 12 | S | 48.2 | Very low | 47.3 | Very low | 99 Ų | 99 | 153.4 Ų | 153.4 | 69% | 0.692 | 83% | 0.832 | S | S | * | * | trans | 61.3 | 123 | 133.6 | 66.3 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 13 | L | 47.6 | Very low | 47.4 | Very low | 179 Ų | 179 | 153.6 Ų | 153.6 | 94% | 0.937 | 82% | 0.822 | S | S | * | * | 158.4 | 109.4 | 129.5 | -82.1 | 153.6 | 0 | 0 | 0 | 103.9 | |||||
| 14 | G | 37.7 | Very low | 47.3 | Very low | 66 Ų | 66 | 156.8 Ų | 156.8 | 68% | 0.68 | 83% | 0.826 | S | S | * | * | cis | 137 | 113.1 | 43.5 | 0 | 0 | 0 | 0 | 0 | 103.8 | P16 | G14-P16 WeakPolarHBondContact O-CD 3.47Š| ||
| 15 | R | 53.2 | Low | 47.1 | Very low | 252 Ų | 252 | 152.4 Ų | 152.4 | 95% | 0.951 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 138.3 | 176.4 | -71.2 | 174.8 | 169.9 | 178.7 | -4.4 | 109.5 | ||
| 16 | P | 42.9 | Very low | 46.6 | Very low | 116 Ų | 116 | 151 Ų | 151 | 75% | 0.753 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -103.5 | 118.6 | 147.6 | 18.7 | -1.9 | 0 | 0 | 0 | 109.5 | G14 | G14-P16 WeakPolarHBondContact O-CD 3.47Š|
| 17 | S | 48.8 | Very low | 46.3 | Very low | 112 Ų | 112 | 150.4 Ų | 150.4 | 78% | 0.783 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 131 | 154.7 | -70.5 | 0 | 0 | 0 | 0 | 109.8 | ||
| 18 | L | 46.6 | Very low | 46 | Very low | 171 Ų | 171 | 153 Ų | 153 | 90% | 0.895 | 82% | 0.821 | S | S | * | * | trans | -116.2 | 102.1 | 157.6 | -72.1 | 176.7 | 0 | 0 | 0 | 108.8 | ||||
| 19 | R | 42.3 | Very low | 45.6 | Very low | 221 Ų | 221 | 148.8 Ų | 148.8 | 83% | 0.834 | 82% | 0.818 | S | S | * | * | trans | -77.5 | 133.2 | 160.9 | -80.1 | -175.6 | 174.2 | -172.2 | -0.2 | 108.6 | ||||
| 20 | L | 41.4 | Very low | 45.5 | Very low | 149 Ų | 149 | 146.5 Ų | 146.5 | 78% | 0.78 | 81% | 0.809 | S | S | * | * | trans | 52 | 122.3 | 136.5 | -65 | 158.3 | 0 | 0 | 0 | 118.6 | ||||
| 21 | C | 36.9 | Very low | 45.1 | Very low | 122 Ų | 122 | 146.6 Ų | 146.6 | 82% | 0.824 | 81% | 0.809 | S | S | * | * | -175.5 | 159 | 93.2 | -91.5 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 22 | P | 54 | Low | 45.3 | Very low | 106 Ų | 106 | 139.8 Ų | 139.8 | 69% | 0.688 | 80% | 0.802 | S | S | * | * | trans | -114.2 | 174 | -163.9 | 40.9 | -26.4 | 0 | 0 | 0 | 113.7 | ||||
| 23 | V | 47.8 | Very low | 45.5 | Very low | 112 Ų | 112 | 141.2 Ų | 141.2 | 68% | 0.679 | 81% | 0.809 | S | S | * | * | trans | 65.7 | 122 | 157 | -157.7 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 24 | N | 44.8 | Very low | 45.5 | Very low | 159 Ų | 159 | 136.9 Ų | 136.9 | 85% | 0.85 | 80% | 0.799 | S | S | * | * | -160.1 | 100.5 | 119.4 | -90.6 | -31.9 | 0 | 0 | 0 | 111.9 | |||||
| 25 | L | 47.8 | Very low | 45.8 | Very low | 150 Ų | 150 | 140 Ų | 140 | 79% | 0.785 | 81% | 0.805 | S | S | * | * | trans | -71.2 | 118.6 | 158.3 | -142.5 | 106.8 | 0 | 0 | 0 | 107.2 | L27 | L25-L27 HydrophobicContact CD2-CD1 4.48Š| ||
| 26 | A | 46.3 | Very low | 45.4 | Very low | 102 Ų | 102 | 134.4 Ų | 134.4 | 84% | 0.843 | 80% | 0.799 | S | S | * | * | trans | -121.7 | 82.9 | 173 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 27 | L | 44.6 | Very low | 45.8 | Very low | 155 Ų | 155 | 134.4 Ų | 134.4 | 81% | 0.812 | 80% | 0.797 | S | S | * | * | trans | -88.3 | 119.8 | 156.4 | -115.2 | 125.6 | 0 | 0 | 0 | 107.1 | L25 | L25-L27 HydrophobicContact CD2-CD1 4.48Š| ||
| 28 | R | 43.6 | Very low | 45.3 | Very low | 248 Ų | 248 | 138 Ų | 138 | 94% | 0.936 | 80% | 0.801 | S | S | * | * | trans | -170.5 | 130.8 | 138.1 | -113.1 | -178.8 | 156.2 | 142 | -0.7 | 114.2 | ||||
| 29 | A | 42.6 | Very low | 45.1 | Very low | 96 Ų | 96 | 141 Ų | 141 | 79% | 0.793 | 80% | 0.8 | S | S | * | * | trans | -72.1 | 152.7 | 168.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 30 | A | 43 | Very low | 45.9 | Very low | 89 Ų | 89 | 135.2 Ų | 135.2 | 74% | 0.736 | 79% | 0.791 | S | S | * | * | trans | -166 | 110.7 | 146.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 31 | V | 42.7 | Very low | 45.9 | Very low | 143 Ų | 143 | 136.5 Ų | 136.5 | 87% | 0.867 | 79% | 0.79 | S | S | * | * | 70.3 | 115 | 103.6 | 179.6 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 32 | A | 48.2 | Very low | 46.1 | Very low | 88 Ų | 88 | 134.9 Ų | 134.9 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | trans | -78.7 | 162.3 | 167.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 33 | P | 53.2 | Low | 45.6 | Very low | 129 Ų | 129 | 139.1 Ų | 139.1 | 84% | 0.838 | 79% | 0.789 | S | S | * | * | trans | -133.4 | 156.5 | 131.6 | 33.1 | -18.8 | 0 | 0 | 0 | 113.5 | ||||
| 34 | A | 46.4 | Very low | 45.6 | Very low | 88 Ų | 88 | 138 Ų | 138 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | trans | -92.6 | 177.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 35 | V | 45.1 | Very low | 45.8 | Very low | 133 Ų | 133 | 135.4 Ų | 135.4 | 81% | 0.806 | 79% | 0.792 | S | S | * | * | trans | 80.5 | 129.4 | 161.7 | -138.5 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 36 | T | 45.2 | Very low | 45.6 | Very low | 133 Ų | 133 | 134.1 Ų | 134.1 | 82% | 0.816 | 79% | 0.786 | S | S | * | * | cis | -158.7 | 153.7 | 48.5 | 37.4 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 37 | V | 49.9 | Very low | 46 | Very low | 117 Ų | 117 | 134.6 Ų | 134.6 | 71% | 0.709 | 78% | 0.783 | S | S | * | * | trans | -70.5 | 149.6 | 176.2 | 170.9 | 0 | 0 | 0 | 0 | 113 | ||||
| 38 | H | 39.1 | Very low | 46.4 | Very low | 187 Ų | 187 | 137.1 Ų | 137.1 | 87% | 0.866 | 78% | 0.782 | S | S | * | * | 175.3 | 129.8 | 122.1 | -91.4 | -77.7 | 0 | 0 | 0 | 113.8 | |||||
| 39 | R | 42.5 | Very low | 46.6 | Very low | 234 Ų | 234 | 136.3 Ų | 136.3 | 88% | 0.883 | 78% | 0.778 | S | S | * | * | trans | -65.6 | -173.1 | 174.8 | -98.5 | -177.9 | 161.3 | 178 | -4 | 113.9 | ||||
| 40 | P | 58.7 | Low | 47.1 | Very low | 99 Ų | 99 | 137.1 Ų | 137.1 | 64% | 0.643 | 77% | 0.774 | S | S | * | * | cis | -141.3 | -163.5 | -46.4 | 41.3 | -22 | 0 | 0 | 0 | 113.3 | ||||
| 41 | F | 40.7 | Very low | 47.2 | Very low | 176 Ų | 176 | 144.5 Ų | 144.5 | 77% | 0.772 | 78% | 0.783 | S | S | * | * | trans | 86.8 | 98.3 | 154.8 | -101.3 | -107.1 | 0 | 0 | 0 | 119.1 | ||||
| 42 | S | 42.9 | Very low | 47.5 | Very low | 89 Ų | 89 | 148.1 Ų | 148.1 | 62% | 0.622 | 78% | 0.781 | S | S | * | * | 75.3 | 137.2 | 91.7 | -44 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 43 | F | 42.6 | Very low | 47.5 | Very low | 195 Ų | 195 | 152.1 Ų | 152.1 | 86% | 0.855 | 79% | 0.789 | S | S | * | * | cis | -169.3 | 175 | 40.8 | -114.2 | -77.7 | 0 | 0 | 0 | 110.3 | ||||
| 44 | A | 47.1 | Very low | 47.7 | Very low | 88 Ų | 88 | 149.2 Ų | 149.2 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | trans | 90.1 | 99 | 162.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 45 | A | 50.5 | Low | 48.1 | Very low | 105 Ų | 105 | 153.3 Ų | 153.3 | 87% | 0.868 | 79% | 0.786 | S | S | * | * | 68.5 | 97.7 | 76.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 46 | D | 43.5 | Very low | 48.4 | Very low | 123 Ų | 123 | 151.7 Ų | 151.7 | 66% | 0.658 | 78% | 0.781 | S | S | * | * | trans | -138.1 | 124.8 | 138.3 | -156.7 | -14.7 | 0 | 0 | 0 | 109.1 | R48 | D46-R48 IonicContact OD1-NH2 3.6Å; D46-R48 IonicContact OD2-NH2 3.14Å; D46-R48 PolarHBondContact OD2-NH2 3.14Å; D46-R48 VanDerWaalsContact OD2-NH2 3.14Å | ||
| 47 | S | 53.6 | Low | 48.6 | Very low | 111 Ų | 111 | 156.5 Ų | 156.5 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | trans | -93 | 101.8 | 179.6 | 44.4 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 48 | R | 52.9 | Low | 48.9 | Very low | 209 Ų | 209 | 158.1 Ų | 158.1 | 79% | 0.789 | 79% | 0.787 | S | S | * | * | trans | -137.7 | 90 | 162.3 | -106.6 | 172.5 | -87.1 | -113 | 0.9 | 112.2 | D46 | D46-R48 IonicContact OD1-NH2 3.6Å; D46-R48 IonicContact OD2-NH2 3.14Å; D46-R48 PolarHBondContact OD2-NH2 3.14Å; D46-R48 VanDerWaalsContact OD2-NH2 3.14Å | ||
| 49 | R | 47.4 | Very low | 49.7 | Very low | 230 Ų | 230 | 153.9 Ų | 153.9 | 87% | 0.868 | 78% | 0.779 | S | S | * | * | trans | -14.2 | 124.2 | 146.2 | -133.5 | 175.1 | -159 | -138.1 | 3.5 | 114.5 | ||||
| 50 | T | 53.4 | Low | 50.5 | Low | 113 Ų | 113 | 148 Ų | 148 | 69% | 0.693 | 77% | 0.773 | S | S | * | * | trans | 56.6 | 112.9 | 139.6 | 56.2 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 51 | R | 44.9 | Very low | 50.4 | Low | 245 Ų | 245 | 149.2 Ų | 149.2 | 93% | 0.925 | 78% | 0.779 | S | S | * | * | -146.8 | 95.5 | 129.4 | -168.6 | 168.8 | -79.6 | 179.5 | -5.3 | 110.1 | |||||
| 52 | W | 49.6 | Very low | 51.3 | Low | 218 Ų | 218 | 143.7 Ų | 143.7 | 83% | 0.826 | 77% | 0.772 | S | S | * | * | trans | -63.8 | 131.9 | 157.3 | -86.1 | 79.1 | 0 | 0 | 0 | 108.5 | ||||
| 53 | L | 47.4 | Very low | 52.1 | Low | 173 Ų | 173 | 147.1 Ų | 147.1 | 91% | 0.906 | 78% | 0.782 | S | S | * | * | trans | 152.7 | 125.9 | 133.6 | -84.9 | 155.6 | 0 | 0 | 0 | 109.7 | ||||
| 54 | G | 57.4 | Low | 52.9 | Low | 67 Ų | 67 | 145.8 Ų | 145.8 | 69% | 0.691 | 78% | 0.783 | S | S | * | * | trans | 134.5 | 27.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | S56 | G54-S56 PolarHBondContact O-N 2.83Š| ||
| 55 | Q | 54.7 | Low | 53.7 | Low | 175 Ų | 175 | 146.2 Ų | 146.2 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | trans | -66.5 | 89.9 | 158 | -153.7 | 159.2 | 24.8 | 0 | 0 | 105.3 | R57 | Q55-R57 PolarHBondContact O-N 2.81Š| ||
| 56 | S | 51.8 | Low | 54.4 | Low | 99 Ų | 99 | 150.6 Ų | 150.6 | 69% | 0.692 | 77% | 0.774 | S | S | * | * | trans | -55.8 | 98.4 | 167.9 | 45.4 | 0 | 0 | 0 | 0 | 105.4 | G54 I58 | G54-S56 PolarHBondContact O-N 2.83Å; S56-I58 PolarHBondContact O-N 2.78Å | ||
| 57 | R | 51 | Low | 55.4 | Low | 234 Ų | 234 | 152 Ų | 152 | 88% | 0.883 | 78% | 0.776 | S | S | * | * | trans | -57.2 | 99.1 | 162.3 | -66.8 | -169.4 | -171.1 | -156.8 | 3.6 | 103.4 | Q55 S59 | Q55-R57 PolarHBondContact O-N 2.81Å; R57-S59 PolarHBondContact O-N 2.69Å | ||
| 58 | I | 54.8 | Low | 56 | Low | 150 Ų | 150 | 154.8 Ų | 154.8 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | trans | -55.5 | 106.2 | 158.6 | -61.4 | 170.9 | 0 | 0 | 0 | 101.6 | S56 S60 | S56-I58 PolarHBondContact O-N 2.78Å; I58-S60 PolarHBondContact O-N 2.76Å | ||
| 59 | S | 56.1 | Low | 57.1 | Low | 99 Ų | 99 | 148 Ų | 148 | 69% | 0.692 | 77% | 0.765 | S | S | * | * | trans | -52.4 | 102.6 | 165.7 | -64.6 | 0 | 0 | 0 | 0 | 103.4 | R57 V61 | R57-S59 PolarHBondContact O-N 2.69Å; S59-V61 PolarHBondContact O-N 2.85Å | ||
| 60 | S | 58.7 | Low | 58.3 | Low | 109 Ų | 109 | 143 Ų | 143 | 76% | 0.762 | 76% | 0.756 | S | S | * | * | trans | -61.5 | 86.8 | 167.7 | 51.1 | 0 | 0 | 0 | 0 | 103.7 | I58 G62 | I58-S60 PolarHBondContact O-N 2.76Å; S60-G62 PolarHBondContact O-N 2.79Å | ||
| 61 | V | 58.1 | Low | 59.1 | Low | 126 Ų | 126 | 145.1 Ų | 145.1 | 76% | 0.764 | 76% | 0.762 | S | S | * | * | trans | -53.3 | 106.2 | 166.9 | -177.9 | 0 | 0 | 0 | 0 | 102.2 | S59 L63 | S59-V61 PolarHBondContact O-N 2.85Å; V61-L63 VanDerWaalsContact C-N 3.35Å; V61-L63 PolarHBondContact O-N 2.83Å | ||
| 62 | G | 59.8 | Low | 60.3 | Low | 60 Ų | 60 | 138.5 Ų | 138.5 | 62% | 0.619 | 75% | 0.751 | S | S | * | * | trans | -54.8 | 105.7 | -173.8 | 0 | 0 | 0 | 0 | 0 | 106.7 | S60 L64 | S60-G62 PolarHBondContact O-N 2.79Å; G62-L64 PolarHBondContact O-N 2.76Å | ||
| 63 | L | 57.8 | Low | 61.6 | Low | 161 Ų | 161 | 133.1 Ų | 133.1 | 84% | 0.843 | 74% | 0.744 | S | S | * | * | trans | -62.5 | 89.2 | 164.3 | -94.6 | 144.7 | 0 | 0 | 0 | 104.6 | V61 C65 | V61-L63 VanDerWaalsContact C-N 3.35Å; V61-L63 PolarHBondContact O-N 2.83Å; L63-C65 PolarHBondContact O-N 2.67Å | ||
| 64 | L | 60.5 | Low | 63.2 | Low | 166 Ų | 166 | 128 Ų | 128 | 87% | 0.869 | 72% | 0.718 | S | S | * | * | trans | -64.1 | 83.7 | 158.4 | -79.7 | 159.9 | 0 | 0 | 0 | 105 | G62 R66 | G62-L64 PolarHBondContact O-N 2.76Å; L64-R66 VanDerWaalsContact C-N 3.35Å; L64-R66 PolarHBondContact O-N 2.92Å | ||
| 65 | C | 64.6 | Low | 64.7 | Low | 98 Ų | 98 | 127.4 Ų | 127.4 | 66% | 0.662 | 70% | 0.701 | S | S | * | * | trans | -55.8 | 107.5 | 163.8 | -78 | 0 | 0 | 0 | 0 | 105.9 | L63 Q67 | L63-C65 PolarHBondContact O-N 2.67Å; C65-Q67 PolarHBondContact O-N 2.84Å | ||
| 66 | R | 65.4 | Low | 66.4 | Low | 197 Ų | 197 | 121.8 Ų | 121.8 | 74% | 0.743 | 68% | 0.676 | S | S | * | * | trans | -68.9 | 99.2 | 175.4 | -133.1 | 166.7 | -179 | -139.7 | 0.4 | 105.7 | L64 Y68 | L64-R66 VanDerWaalsContact C-N 3.35Å; L64-R66 PolarHBondContact O-N 2.92Å; R66-Y68 HydrophobicContact CB-CD2 3.9Å; R66-Y68 HydrophobicContact CB-CE2 3.54Å; R66-Y68 WeakPolarHBondContact CD-OH 3.33Å; R66-Y68 HydrophobicContact CG-CD2 4.23Å; R66-Y68 HydrophobicContact CG-CE2 3.45Å; R66-Y68 VanDerWaalsContact CG-CE2 3.45Å; R66-Y68 PolarHBondContact NE-OH 3.11Å; R66-Y68 VanDerWaalsContact NE-OH 3.11Å; R66-Y68 PolarHBondContact NH1-OH 2.97Å; R66-Y68 WeakPolarHBondContact O-CD2 3.49Å; R66-Y68 PolarHBondContact O-N 3.09Å; R66-Y68 VanDerWaalsContact O-N 3.09Å | ||
| 67 | Q | 63.1 | Low | 68.2 | Low | 151 Ų | 151 | 123.5 Ų | 123.5 | 71% | 0.706 | 67% | 0.673 | S | S | * | * | trans | -72.2 | 102.9 | -179.5 | -61.4 | -170.2 | 39 | 0 | 0 | 107.7 | C65 D70 | C65-Q67 PolarHBondContact O-N 2.84Å; Q67-D70 PolarHBondContact OE1-OD2 3.41Å | ||
| 68 | Y | 67.3 | Low | 70.1 | Confident | 171 Ų | 171 | 114.7 Ų | 114.7 | 67% | 0.671 | 65% | 0.645 | S | S | * | * | trans | -110 | 13.2 | 175.7 | -75.6 | -62.9 | 0 | 0 | 0 | 112.5 | R66 | R66-Y68 HydrophobicContact CB-CD2 3.9Å; R66-Y68 HydrophobicContact CB-CE2 3.54Å; R66-Y68 WeakPolarHBondContact CD-OH 3.33Å; R66-Y68 HydrophobicContact CG-CD2 4.23Å; R66-Y68 HydrophobicContact CG-CE2 3.45Å; R66-Y68 VanDerWaalsContact CG-CE2 3.45Å; R66-Y68 PolarHBondContact NE-OH 3.11Å; R66-Y68 VanDerWaalsContact NE-OH 3.11Å; R66-Y68 PolarHBondContact NH1-OH 2.97Å; R66-Y68 WeakPolarHBondContact O-CD2 3.49Å; R66-Y68 PolarHBondContact O-N 3.09Å; R66-Y68 VanDerWaalsContact O-N 3.09Å | ||
| 69 | G | 74.3 | Confident | 71.9 | Confident | 65 Ų | 65 | 107.6 Ų | 107.6 | 67% | 0.67 | 61% | 0.609 | S | S | * | * | trans | -110.1 | -12.1 | -168.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | L71 | G69-L71 PolarHBondContact O-N 3.14Š| ||
| 70 | D | 73.6 | Confident | 73.7 | Confident | 126 Ų | 126 | 107.1 Ų | 107.1 | 67% | 0.674 | 59% | 0.594 | S | S | * | * | P | Polyproline II helix | trans | -86.8 | 117.6 | -173.2 | -56.3 | -31.6 | 0 | 0 | 0 | 109.4 | Q67 | Q67-D70 PolarHBondContact OE1-OD2 3.41Š|
| 71 | L | 69.9 | Low | 75.4 | Confident | 158 Ų | 158 | 106.9 Ų | 106.9 | 83% | 0.827 | 58% | 0.584 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 141.3 | 167.3 | -73.6 | 156.2 | 0 | 0 | 0 | 108.3 | G69 | G69-L71 PolarHBondContact O-N 3.14Š|
| 72 | P | 71.3 | Confident | 77.1 | Confident | 105 Ų | 105 | 104.9 Ų | 104.9 | 68% | 0.682 | 56% | 0.563 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 141.6 | 175.4 | 23.2 | -32.4 | 0 | 0 | 0 | 109.5 | L74 | P72-L74 PolarHBondContact O-N 3.05Š|
| 73 | P | 76.3 | Confident | 78.7 | Confident | 106 Ų | 106 | 102 Ų | 102 | 69% | 0.688 | 53% | 0.534 | S | S | * | . | P | Polyproline II helix | trans | -56.8 | 130.7 | -179.9 | 23.9 | -32.9 | 0 | 0 | 0 | 109.3 | T75 | P73-T75 PolarHBondContact O-N 3.27Š|
| 74 | L | 79.8 | Confident | 80.4 | Confident | 66 Ų | 66 | 95.8 Ų | 95.8 | 35% | 0.346 | 50% | 0.501 | S | S | . | . | trans | -68.8 | 102.6 | 172.2 | -73.3 | 158.4 | 0 | 0 | 0 | 107.1 | P72 V154 | P72-L74 PolarHBondContact O-N 3.05Å; L74-V154 HydrophobicContact CB-CG2 4.1Å; L74-V154 WeakPolarHBondContact O-CG1 3.3Å; L74-V154 WeakPolarHBondContact O-CG2 3.44Å | ||
| 75 | T | 89.8 | Confident | 82 | Confident | 54 Ų | 54 | 94.3 Ų | 94.3 | 33% | 0.331 | 49% | 0.485 | S | S | . | . | trans | -94.2 | 160.4 | 169.1 | 64.1 | 0 | 0 | 0 | 0 | 109.9 | P73 E77 T78 I79 | P73-T75 PolarHBondContact O-N 3.27Å; T75-E77 PolarHBondContact O-N 2.66Å; T75-T78 PolarHBondContact N-OG1 3.44Å; T75-T78 PolarHBondContact O-N 2.8Å; T75-T78 PolarHBondContact O-OG1 3.09Å; T75-T78 WeakPolarHBondContact OG1-CG2 3.47Å; T75-T78 PolarHBondContact OG1-N 3.26Å; T75-I79 PolarHBondContact O-N 2.8Å | ||
| 76 | L | 89.4 | Confident | 83.4 | Confident | 57 Ų | 57 | 90.6 Ų | 90.6 | 30% | 0.298 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -54.5 | -38.8 | 176.3 | -64.4 | -177.1 | 0 | 0 | 0 | 112.4 | I79 K80 A149 V154 E156 | L76-I79 PolarHBondContact O-N 3.15Å; L76-K80 WeakPolarHBondContact O-CB 3.35Å; L76-K80 PolarHBondContact O-N 2.8Å; L76-A149 HydrophobicContact CD2-CB 3.44Å; L76-A149 VanDerWaalsContact CD2-CB 3.44Å; L76-V154 HydrophobicContact CD2-CG1 4.02Å; L76-V154 VanDerWaalsContact CD2-O 3.28Å; L76-V154 WeakPolarHBondContact CD2-O 3.34Å; L76-V154 HydrophobicContact CG-CG1 4.37Å; L76-E156 HydrophobicContact CD1-CG 4.11Å |
| 77 | E | 90.9 | Very high | 84.7 | Confident | 134 Ų | 134 | 81.3 Ų | 81.3 | 63% | 0.626 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -60.2 | -47.3 | 175.4 | -60.6 | -175.5 | 161.4 | 0 | 0 | 111.5 | T75 I79 K80 D81 | T75-E77 PolarHBondContact O-N 2.66Å; E77-I79 VanDerWaalsContact C-N 3.33Å; E77-I79 PolarHBondContact O-N 3.14Å; E77-K80 WeakPolarHBondContact O-CB 3.38Å; E77-K80 PolarHBondContact O-N 3.42Å; E77-D81 WeakPolarHBondContact O-CB 3.11Å; E77-D81 PolarHBondContact O-N 2.93Å |
| 78 | T | 91.3 | Very high | 86.2 | Confident | 50 Ų | 50 | 79.5 Ų | 79.5 | 31% | 0.307 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -65.6 | -35.4 | 179.3 | 61.6 | 0 | 0 | 0 | 0 | 112.7 | T75 R82 | T75-T78 PolarHBondContact N-OG1 3.44Å; T75-T78 PolarHBondContact O-N 2.8Å; T75-T78 PolarHBondContact O-OG1 3.09Å; T75-T78 WeakPolarHBondContact OG1-CG2 3.47Å; T75-T78 PolarHBondContact OG1-N 3.26Å; T78-R82 WeakPolarHBondContact O-CB 3.43Å; T78-R82 VanDerWaalsContact O-CG 3.24Å; T78-R82 WeakPolarHBondContact O-CG 3.27Å; T78-R82 PolarHBondContact O-N 2.96Å |
| 79 | I | 92.6 | Very high | 87.3 | Confident | 0 Ų | 0 | 76.5 Ų | 76.5 | 0% | 0 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -63.8 | -49.6 | 175.3 | -66.1 | 166.2 | 0 | 0 | 0 | 109.2 | T75 L76 E77 D81 R82 V83 F126 V145 I148 A149 V154 | T75-I79 PolarHBondContact O-N 2.8Å; L76-I79 PolarHBondContact O-N 3.15Å; E77-I79 VanDerWaalsContact C-N 3.33Å; E77-I79 PolarHBondContact O-N 3.14Å; I79-D81 VanDerWaalsContact C-N 3.33Å; I79-D81 PolarHBondContact O-N 3.2Å; I79-R82 PolarHBondContact O-N 2.75Å; I79-V83 HydrophobicContact CG2-CG2 4.34Å; I79-V83 WeakPolarHBondContact O-CG2 3.4Å; I79-V83 PolarHBondContact O-N 2.7Å; I79-F126 HydrophobicContact CG1-CE1 4.3Å; I79-F126 HydrophobicContact CG2-CE1 4.26Å; I79-F126 HydrophobicContact CG2-CZ 4.11Å; I79-V145 HydrophobicContact CG2-CG1 4.09Å; I79-I148 HydrophobicContact CD1-CG2 4.15Å; I79-I148 HydrophobicContact CG1-CG2 4.26Å; I79-I148 HydrophobicContact CG2-CB 3.87Å; I79-I148 HydrophobicContact CG2-CD1 4.15Å; I79-I148 HydrophobicContact CG2-CG2 3.66Å; I79-A149 HydrophobicContact CD1-CB 4.45Å; I79-V154 HydrophobicContact CD1-CB 4.2Å; I79-V154 HydrophobicContact CD1-CG1 4.19Å; I79-V154 HydrophobicContact CD1-CG2 4.4Å |
| 80 | K | 93.3 | Very high | 88.3 | Confident | 89 Ų | 89 | 75.3 Ų | 75.3 | 39% | 0.387 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -58.1 | -45.4 | 178.6 | -175.4 | 179.2 | -179.3 | 175.5 | 0 | 112 | L76 E77 R82 V83 L84 V100 V145 | L76-K80 WeakPolarHBondContact O-CB 3.35Å; L76-K80 PolarHBondContact O-N 2.8Å; E77-K80 WeakPolarHBondContact O-CB 3.38Å; E77-K80 PolarHBondContact O-N 3.42Å; K80-R82 VanDerWaalsContact C-N 3.35Å; K80-R82 PolarHBondContact O-N 3.03Å; K80-V83 PolarHBondContact O-N 2.95Å; K80-L84 HydrophobicContact CG-CD1 4.2Å; K80-L84 WeakPolarHBondContact O-CB 3.24Å; K80-L84 VanDerWaalsContact O-CG 3.29Å; K80-L84 WeakPolarHBondContact O-CG 3.48Å; K80-L84 PolarHBondContact O-N 3.36Å; K80-V100 VanDerWaalsContact CE-CG2 3.47Å; K80-V145 HydrophobicContact CB-CG1 4.33Å; K80-V145 HydrophobicContact CB-CG2 4.32Å; K80-V145 HydrophobicContact CG-CG2 4.49Å |
| 81 | D | 93.7 | Very high | 89.1 | Confident | 105 Ų | 105 | 77.3 Ų | 77.3 | 56% | 0.561 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -63.3 | -41.2 | 178.8 | -74.9 | -17.2 | 0 | 0 | 0 | 111.9 | E77 I79 Y85 | E77-D81 WeakPolarHBondContact O-CB 3.11Å; E77-D81 PolarHBondContact O-N 2.93Å; I79-D81 VanDerWaalsContact C-N 3.33Å; I79-D81 PolarHBondContact O-N 3.2Å; D81-Y85 VanDerWaalsContact O-CB 3.28Å; D81-Y85 WeakPolarHBondContact O-CB 3.37Å; D81-Y85 PolarHBondContact O-N 3.38Å |
| 82 | R | 93.4 | Very high | 90.1 | Very high | 83 Ų | 83 | 75 Ų | 75 | 31% | 0.313 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -67.3 | -43.7 | 176.7 | -71.9 | 178.6 | 78 | -170.9 | 2.3 | 112.3 | T78 I79 K80 L84 Y85 V86 E125 F126 | T78-R82 WeakPolarHBondContact O-CB 3.43Å; T78-R82 VanDerWaalsContact O-CG 3.24Å; T78-R82 WeakPolarHBondContact O-CG 3.27Å; T78-R82 PolarHBondContact O-N 2.96Å; I79-R82 PolarHBondContact O-N 2.75Å; K80-R82 VanDerWaalsContact C-N 3.35Å; K80-R82 PolarHBondContact O-N 3.03Å; R82-L84 PolarHBondContact O-N 3.48Å; R82-Y85 WeakPolarHBondContact O-CB 3.28Å; R82-Y85 PolarHBondContact O-N 3.22Å; R82-Y85 VanDerWaalsContact O-N 3.15Å; R82-V86 WeakPolarHBondContact O-CG2 3.39Å; R82-V86 PolarHBondContact O-N 3.22Å; R82-E125 IonicContact CZ-OE1 2.8Å; R82-E125 IonicContact NE-OE1 3.08Å; R82-E125 PolarHBondContact NE-OE1 3.19Å; R82-E125 PolarHBondContact NH2-O 3.03Å; R82-E125 IonicContact NH2-OE1 2.58Å; R82-E125 PolarHBondContact NH2-OE1 3.31Å; R82-E125 IonicContact NH2-OE2 2.66Å; R82-F126 HydrophobicContact CB-CE1 4.46Å; R82-F126 HydrophobicContact CB-CZ 3.79Å |
| 83 | V | 93.9 | Very high | 91.1 | Very high | 1 Ų | 1 | 70.4 Ų | 70.4 | 1% | 0.006 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -59.7 | -48 | 175 | 170.5 | 0 | 0 | 0 | 0 | 110.4 | I79 K80 Y85 V86 L87 M122 F126 P141 I144 V145 I148 | I79-V83 HydrophobicContact CG2-CG2 4.34Å; I79-V83 WeakPolarHBondContact O-CG2 3.4Å; I79-V83 PolarHBondContact O-N 2.7Å; K80-V83 PolarHBondContact O-N 2.95Å; V83-Y85 VanDerWaalsContact C-N 3.26Å; V83-Y85 PolarHBondContact O-N 3.03Å; V83-V86 PolarHBondContact O-N 3.04Å; V83-L87 HydrophobicContact CG1-CD1 4.11Å; V83-L87 WeakPolarHBondContact O-CG 3.38Å; V83-L87 PolarHBondContact O-N 3.42Å; V83-L87 VanDerWaalsContact O-N 3.08Å; V83-M122 HydrophobicContact CB-CE 4.35Å; V83-M122 HydrophobicContact CB-SD 4.36Å; V83-M122 HydrophobicContact CG1-CE 3.77Å; V83-M122 HydrophobicContact CG1-SD 4.24Å; V83-M122 HydrophobicContact CG2-SD 4.08Å; V83-F126 HydrophobicContact CG2-CE2 3.96Å; V83-F126 HydrophobicContact CG2-CZ 4.09Å; V83-P141 HydrophobicContact CG1-CB 4.5Å; V83-I144 HydrophobicContact CG1-CG2 4.25Å; V83-I144 HydrophobicContact CG2-CG2 4.16Å; V83-V145 HydrophobicContact CB-CG2 3.94Å; V83-V145 HydrophobicContact CG1-CG2 4.04Å; V83-V145 HydrophobicContact CG2-CG2 3.87Å; V83-I148 HydrophobicContact CG2-CD1 3.58Å |
| 84 | L | 93.8 | Very high | 91.8 | Very high | 29 Ų | 29 | 69.8 Ų | 69.8 | 15% | 0.152 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -63.6 | -33.4 | 176.9 | -70.8 | 176.2 | 0 | 0 | 0 | 112.3 | K80 R82 K88 L98 V100 | K80-L84 HydrophobicContact CG-CD1 4.2Å; K80-L84 WeakPolarHBondContact O-CB 3.24Å; K80-L84 VanDerWaalsContact O-CG 3.29Å; K80-L84 WeakPolarHBondContact O-CG 3.48Å; K80-L84 PolarHBondContact O-N 3.36Å; R82-L84 PolarHBondContact O-N 3.48Å; L84-K88 WeakPolarHBondContact O-CG 3.24Å; L84-K88 PolarHBondContact O-N 2.98Å; L84-K88 VanDerWaalsContact O-N 3.08Å; L84-L98 HydrophobicContact CD2-CD2 4.01Å; L84-L98 HydrophobicContact CD2-CG 4.26Å; L84-V100 HydrophobicContact CD1-CG2 4.31Å; L84-V100 HydrophobicContact CD2-CG2 4.35Å |
| 85 | Y | 93.9 | Very high | 92.3 | Very high | 136 Ų | 136 | 70.3 Ų | 70.3 | 53% | 0.533 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64.9 | -48.4 | 176.1 | 179.1 | -104 | 0 | 0 | 0 | 111.6 | D81 R82 V83 L87 K88 L89 | D81-Y85 VanDerWaalsContact O-CB 3.28Å; D81-Y85 WeakPolarHBondContact O-CB 3.37Å; D81-Y85 PolarHBondContact O-N 3.38Å; R82-Y85 WeakPolarHBondContact O-CB 3.28Å; R82-Y85 PolarHBondContact O-N 3.22Å; R82-Y85 VanDerWaalsContact O-N 3.15Å; V83-Y85 VanDerWaalsContact C-N 3.26Å; V83-Y85 PolarHBondContact O-N 3.03Å; Y85-L87 VanDerWaalsContact C-N 3.32Å; Y85-L87 PolarHBondContact O-N 3.33Å; Y85-K88 PolarHBondContact O-N 3.15Å; Y85-K88 VanDerWaalsContact O-N 3.15Å; Y85-L89 HydrophobicContact CD1-CD1 4.11Å; Y85-L89 HydrophobicContact CE1-CD1 3.57Å; Y85-L89 HydrophobicContact CE1-CG 4.34Å; Y85-L89 WeakPolarHBondContact O-CG 3.38Å; Y85-L89 PolarHBondContact O-N 3.36Å |
| 86 | V | 94.3 | Very high | 92.3 | Very high | 20 Ų | 20 | 76.9 Ų | 76.9 | 12% | 0.121 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -58.5 | -44.3 | 176.4 | 174.7 | 0 | 0 | 0 | 0 | 110.9 | R82 V83 K88 L89 A121 M122 E125 | R82-V86 WeakPolarHBondContact O-CG2 3.39Å; R82-V86 PolarHBondContact O-N 3.22Å; V83-V86 PolarHBondContact O-N 3.04Å; V86-K88 VanDerWaalsContact C-N 3.3Å; V86-K88 PolarHBondContact O-N 3.48Å; V86-L89 WeakPolarHBondContact O-CB 3.43Å; V86-L89 PolarHBondContact O-N 2.96Å; V86-L89 VanDerWaalsContact O-N 3.11Å; V86-A121 HydrophobicContact CG1-CB 3.93Å; V86-M122 HydrophobicContact CB-CE 3.71Å; V86-M122 HydrophobicContact CB-SD 4.01Å; V86-M122 HydrophobicContact CG1-CE 3.68Å; V86-M122 HydrophobicContact CG1-SD 4.03Å; V86-M122 HydrophobicContact CG2-SD 4.3Å; V86-E125 HydrophobicContact CG2-CB 4.21Å; V86-E125 HydrophobicContact CG2-CG 3.95Å |
| 87 | L | 93.3 | Very high | 92.2 | Very high | 1 Ų | 1 | 81 Ų | 81 | 1% | 0.005 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -64.6 | -30.9 | 178.4 | -68.7 | 172.4 | 0 | 0 | 0 | 113.5 | V83 Y85 L89 Y90 I93 L98 F104 I118 M122 P141 | V83-L87 HydrophobicContact CG1-CD1 4.11Å; V83-L87 WeakPolarHBondContact O-CG 3.38Å; V83-L87 PolarHBondContact O-N 3.42Å; V83-L87 VanDerWaalsContact O-N 3.08Å; Y85-L87 VanDerWaalsContact C-N 3.32Å; Y85-L87 PolarHBondContact O-N 3.33Å; L87-L89 VanDerWaalsContact C-N 3.31Å; L87-Y90 PolarHBondContact O-N 3.3Å; L87-I93 HydrophobicContact CB-CD1 4.36Å; L87-I93 HydrophobicContact CD2-CD1 3.94Å; L87-L98 HydrophobicContact CB-CD1 4.2Å; L87-L98 HydrophobicContact CB-CD2 3.69Å; L87-L98 HydrophobicContact CD1-CD1 4.11Å; L87-F104 HydrophobicContact CD1-CE1 4.24Å; L87-F104 HydrophobicContact CD1-CZ 4.47Å; L87-F104 HydrophobicContact CD2-CE1 3.81Å; L87-F104 HydrophobicContact CD2-CZ 4.23Å; L87-I118 HydrophobicContact CD2-CD1 4.19Å; L87-I118 HydrophobicContact CD2-CG1 4.46Å; L87-I118 HydrophobicContact CD2-CG2 3.62Å; L87-M122 HydrophobicContact CD1-CE 4.45Å; L87-M122 HydrophobicContact CD2-CE 4.02Å; L87-M122 HydrophobicContact CG-CE 3.79Å; L87-P141 HydrophobicContact CD1-CB 3.75Å; L87-P141 HydrophobicContact CD1-CG 3.68Å |
| 88 | K | 93.2 | Very high | 92.2 | Very high | 114 Ų | 114 | 75.7 Ų | 75.7 | 50% | 0.496 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -73.2 | -23 | 175.3 | -73.9 | 169.7 | -176.5 | 174.5 | 0 | 113.3 | L84 Y85 V86 Y90 P95 L98 | L84-K88 WeakPolarHBondContact O-CG 3.24Å; L84-K88 PolarHBondContact O-N 2.98Å; L84-K88 VanDerWaalsContact O-N 3.08Å; Y85-K88 PolarHBondContact O-N 3.15Å; Y85-K88 VanDerWaalsContact O-N 3.15Å; V86-K88 VanDerWaalsContact C-N 3.3Å; V86-K88 PolarHBondContact O-N 3.48Å; K88-Y90 VanDerWaalsContact C-N 3.29Å; K88-P95 HydrophobicContact CG-CB 4.05Å; K88-L98 HydrophobicContact CG-CD2 3.96Å |
| 89 | L | 92.3 | Very high | 92.3 | Very high | 107 Ų | 107 | 79.1 Ų | 79.1 | 56% | 0.56 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -80.7 | -12.8 | 177.2 | -66.9 | 177.2 | 0 | 0 | 0 | 112.7 | Y85 V86 L87 D91 | Y85-L89 HydrophobicContact CD1-CD1 4.11Å; Y85-L89 HydrophobicContact CE1-CD1 3.57Å; Y85-L89 HydrophobicContact CE1-CG 4.34Å; Y85-L89 WeakPolarHBondContact O-CG 3.38Å; Y85-L89 PolarHBondContact O-N 3.36Å; V86-L89 WeakPolarHBondContact O-CB 3.43Å; V86-L89 PolarHBondContact O-N 2.96Å; V86-L89 VanDerWaalsContact O-N 3.11Å; L87-L89 VanDerWaalsContact C-N 3.31Å; L89-D91 PolarHBondContact O-N 3.2Å |
| 90 | Y | 93.3 | Very high | 92.3 | Very high | 40 Ų | 40 | 80.9 Ų | 80.9 | 16% | 0.157 | 39% | 0.388 | C | S | . | . | S | Bend | trans | -79.9 | 116.3 | -179.7 | -162.8 | -105.6 | 0 | 0 | 0 | 110.5 | L87 K88 K92 I93 L110 D114 E117 I118 | L87-Y90 PolarHBondContact O-N 3.3Å; K88-Y90 VanDerWaalsContact C-N 3.29Å; Y90-K92 HydrophobicContact CD1-CB 3.91Å; Y90-K92 HydrophobicContact CD1-CG 4.41Å; Y90-K92 HydrophobicContact CE1-CB 3.71Å; Y90-K92 HydrophobicContact CE1-CD 3.82Å; Y90-K92 HydrophobicContact CE1-CG 3.87Å; Y90-K92 PolarHBondContact O-N 3.42Å; Y90-I93 HydrophobicContact CD1-CD1 4Å; Y90-I93 HydrophobicContact CD1-CG1 3.96Å; Y90-I93 HydrophobicContact CG-CD1 4.41Å; Y90-I93 PolarHBondContact O-N 3.04Å; Y90-L110 HydrophobicContact CE1-CD2 4.26Å; Y90-D114 HydrophobicContact CE1-CB 4.22Å; Y90-D114 WeakPolarHBondContact OH-CB 3.44Å; Y90-D114 PolarHBondContact OH-OD1 3.04Å; Y90-E117 HydrophobicContact CE2-CB 4.28Å; Y90-E117 WeakPolarHBondContact CE2-OE2 3.24Å; Y90-E117 PolarHBondContact OH-OE2 3.19Å; Y90-I118 HydrophobicContact CD1-CD1 4.33Å; Y90-I118 HydrophobicContact CD1-CG1 4.49Å; Y90-I118 HydrophobicContact CD2-CG1 4.25Å; Y90-I118 HydrophobicContact CE1-CD1 4.37Å; Y90-I118 HydrophobicContact CE2-CG1 4.34Å; Y90-I118 HydrophobicContact CG-CG1 4.34Å |
| 91 | D | 92 | Very high | 92.2 | Very high | 169 Ų | 169 | 80.9 Ų | 80.9 | 90% | 0.904 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -25.7 | -169.7 | -68.5 | -31.2 | 0 | 0 | 0 | 114.6 | L89 | L89-D91 PolarHBondContact O-N 3.2Š|
| 92 | K | 91.3 | Very high | 92.2 | Very high | 110 Ų | 110 | 76.1 Ų | 76.1 | 48% | 0.478 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -16.3 | 179.5 | -55.3 | -177.5 | -179.1 | 175.5 | 0 | 113 | Y90 L110 D114 | Y90-K92 HydrophobicContact CD1-CB 3.91Å; Y90-K92 HydrophobicContact CD1-CG 4.41Å; Y90-K92 HydrophobicContact CE1-CB 3.71Å; Y90-K92 HydrophobicContact CE1-CD 3.82Å; Y90-K92 HydrophobicContact CE1-CG 3.87Å; Y90-K92 PolarHBondContact O-N 3.42Å; K92-L110 HydrophobicContact CB-CD2 3.88Å; K92-D114 VanDerWaalsContact CD-OD2 3.26Å; K92-D114 WeakPolarHBondContact CD-OD2 3.41Å; K92-D114 IonicContact NZ-OD1 3.99Å; K92-D114 PolarHBondContact NZ-OD1 3.22Å; K92-D114 IonicContact NZ-OD2 3.13Å; K92-D114 PolarHBondContact NZ-OD2 2.95Å; K92-D114 VanDerWaalsContact NZ-OD2 3.08Å |
| 93 | I | 92.1 | Very high | 92.2 | Very high | 8 Ų | 8 | 74 Ų | 74 | 4% | 0.041 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -95.4 | 128.9 | -179.3 | -66.4 | 169.8 | 0 | 0 | 0 | 109.7 | L87 Y90 L98 L108 L110 I118 | L87-I93 HydrophobicContact CB-CD1 4.36Å; L87-I93 HydrophobicContact CD2-CD1 3.94Å; Y90-I93 HydrophobicContact CD1-CD1 4Å; Y90-I93 HydrophobicContact CD1-CG1 3.96Å; Y90-I93 HydrophobicContact CG-CD1 4.41Å; Y90-I93 PolarHBondContact O-N 3.04Å; I93-L98 HydrophobicContact CG2-CB 4.31Å; I93-L98 HydrophobicContact CG2-CD1 4.12Å; I93-L108 HydrophobicContact CD1-CD1 4.36Å; I93-L108 HydrophobicContact CG1-CD1 4.31Å; I93-L108 HydrophobicContact CG2-CD1 4.43Å; I93-L110 HydrophobicContact CD1-CD1 3.93Å; I93-L110 HydrophobicContact CG1-CD1 3.96Å; I93-L110 HydrophobicContact CG1-CD2 4.18Å; I93-I118 HydrophobicContact CD1-CD1 4.03Å |
| 94 | N | 91.2 | Very high | 92.1 | Very high | 93 Ų | 93 | 74 Ų | 74 | 50% | 0.497 | 36% | 0.364 | S | S | . | . | trans | -84.9 | 123.6 | 171.1 | -67.4 | -73.1 | 0 | 0 | 0 | 109.8 | E96 K97 L98 | N94-E96 PolarHBondContact O-N 3.38Å; N94-E96 VanDerWaalsContact O-N 3.15Å; N94-K97 HydrophobicContact CB-CB 4.38Å; N94-K97 HydrophobicContact CB-CD 4.39Å; N94-K97 HydrophobicContact CB-CG 4.32Å; N94-K97 PolarHBondContact O-N 3.29Å; N94-L98 PolarHBondContact O-N 3.01Å | ||
| 95 | P | 89.2 | Confident | 92 | Very high | 77 Ų | 77 | 76.1 Ų | 76.1 | 50% | 0.5 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -24.6 | -174.7 | 26.5 | -35.8 | 0 | 0 | 0 | 113.1 | K88 | K88-P95 HydrophobicContact CG-CB 4.05Š|
| 96 | E | 90.1 | Very high | 91.9 | Very high | 192 Ų | 192 | 77.4 Ų | 77.4 | 90% | 0.897 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -25.4 | 178.2 | -60.7 | -174.2 | 168.3 | 0 | 0 | 113.3 | N94 | N94-E96 PolarHBondContact O-N 3.38Å; N94-E96 VanDerWaalsContact O-N 3.15Å |
| 97 | K | 87.6 | Confident | 91.8 | Very high | 143 Ų | 143 | 81.6 Ų | 81.6 | 62% | 0.622 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | -11.1 | 179 | -65.7 | -175 | 178.5 | 179.7 | 0 | 112.6 | N94 Q99 L108 | N94-K97 HydrophobicContact CB-CB 4.38Å; N94-K97 HydrophobicContact CB-CD 4.39Å; N94-K97 HydrophobicContact CB-CG 4.32Å; N94-K97 PolarHBondContact O-N 3.29Å; K97-Q99 PolarHBondContact O-N 3.38Å; K97-L108 HydrophobicContact CB-CD2 4.43Å |
| 98 | L | 91.4 | Very high | 91.7 | Very high | 22 Ų | 22 | 83 Ų | 83 | 12% | 0.115 | 41% | 0.411 | C | S | . | . | trans | -71.4 | 117.2 | -176.6 | -176.2 | 64.6 | 0 | 0 | 0 | 110.3 | L84 L87 K88 I93 N94 L108 | L84-L98 HydrophobicContact CD2-CD2 4.01Å; L84-L98 HydrophobicContact CD2-CG 4.26Å; L87-L98 HydrophobicContact CB-CD1 4.2Å; L87-L98 HydrophobicContact CB-CD2 3.69Å; L87-L98 HydrophobicContact CD1-CD1 4.11Å; K88-L98 HydrophobicContact CG-CD2 3.96Å; I93-L98 HydrophobicContact CG2-CB 4.31Å; I93-L98 HydrophobicContact CG2-CD1 4.12Å; N94-L98 PolarHBondContact O-N 3.01Å; L98-L108 HydrophobicContact CD1-CD1 4.04Å | ||
| 99 | Q | 92.6 | Very high | 91.6 | Very high | 123 Ų | 123 | 80.2 Ų | 80.2 | 58% | 0.575 | 42% | 0.415 | S | S | * | . | trans | -119.1 | 156.9 | 171.8 | -61.5 | -175.1 | 0.2 | 0 | 0 | 109.3 | K97 T101 S102 | K97-Q99 PolarHBondContact O-N 3.38Å; Q99-T101 PolarHBondContact O-N 3.18Å; Q99-S102 PolarHBondContact N-OG 2.96Å; Q99-S102 PolarHBondContact O-N 3.37Å; Q99-S102 PolarHBondContact O-OG 3.38Å | ||
| 100 | V | 91.5 | Very high | 91.7 | Very high | 37 Ų | 37 | 75.5 Ų | 75.5 | 22% | 0.224 | 39% | 0.39 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -32 | 179.7 | -171.5 | 0 | 0 | 0 | 0 | 110.7 | K80 L84 P141 E142 | K80-V100 VanDerWaalsContact CE-CG2 3.47Å; L84-V100 HydrophobicContact CD1-CG2 4.31Å; L84-V100 HydrophobicContact CD2-CG2 4.35Å; V100-P141 WeakPolarHBondContact O-CD 3.29Å; V100-E142 HydrophobicContact CG1-CB 4.01Å; V100-E142 HydrophobicContact CG1-CG 4.42Å; V100-E142 PolarHBondContact O-N 3.15Å |
| 101 | T | 92.5 | Very high | 91.7 | Very high | 89 Ų | 89 | 78.8 Ų | 78.8 | 55% | 0.546 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | 0.2 | -179.3 | 55.6 | 0 | 0 | 0 | 0 | 113.4 | Q99 E142 | Q99-T101 PolarHBondContact O-N 3.18Å; T101-E142 WeakPolarHBondContact CG2-OE2 3.05Å |
| 102 | S | 92.5 | Very high | 91.7 | Very high | 5 Ų | 5 | 74.4 Ų | 74.4 | 4% | 0.035 | 39% | 0.393 | C | S | . | . | trans | -74.8 | 137.5 | -176.4 | 60.2 | 0 | 0 | 0 | 0 | 111.2 | Q99 D107 P141 | Q99-S102 PolarHBondContact N-OG 2.96Å; Q99-S102 PolarHBondContact O-N 3.37Å; Q99-S102 PolarHBondContact O-OG 3.38Å; S102-D107 WeakPolarHBondContact CA-OD2 3.5Å; S102-P141 WeakPolarHBondContact O-CD 3.25Å | ||
| 103 | H | 93.4 | Very high | 91.8 | Very high | 37 Ų | 37 | 75.1 Ų | 75.1 | 17% | 0.171 | 40% | 0.401 | C | S | . | . | trans | -84.4 | 131.4 | 177.2 | -167.7 | -47.9 | 0 | 0 | 0 | 110.9 | M105 K106 D107 L108 | H103-M105 PolarHBondContact ND1-N 3.46Å; H103-M105 PolarHBondContact O-N 2.89Å; H103-K106 HydrophobicContact CB-CB 4.16Å; H103-K106 PolarHBondContact O-N 3.45Å; H103-D107 PolarHBondContact N-OD2 3.45Å; H103-D107 WeakPolarHBondContact O-CB 3.5Å; H103-D107 PolarHBondContact O-N 2.64Å; H103-L108 PolarHBondContact O-N 3.05Å | ||
| 104 | F | 92.3 | Very high | 91.9 | Very high | 2 Ų | 2 | 75.1 Ų | 75.1 | 1% | 0.009 | 40% | 0.401 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -48.9 | -175.1 | -65.7 | -52.4 | 0 | 0 | 0 | 113.3 | L87 L108 G109 L110 M139 P141 I144 | L87-F104 HydrophobicContact CD1-CE1 4.24Å; L87-F104 HydrophobicContact CD1-CZ 4.47Å; L87-F104 HydrophobicContact CD2-CE1 3.81Å; L87-F104 HydrophobicContact CD2-CZ 4.23Å; F104-L108 HydrophobicContact CD1-CD1 4.06Å; F104-L108 CarbonylContact O-C 3.6Å; F104-L108 WeakPolarHBondContact O-CB 3.46Å; F104-G109 PolarHBondContact O-N 3.33Å; F104-L110 HydrophobicContact CB-CD1 4.16Å; F104-L110 HydrophobicContact CD1-CD1 4.05Å; F104-L110 HydrophobicContact CG-CD1 4.48Å; F104-L110 WeakPolarHBondContact O-CB 3.32Å; F104-L110 PolarHBondContact O-N 2.97Å; F104-M139 WeakPolarHBondContact CD2-O 3.41Å; F104-M139 PolarHBondContact N-O 3.33Å; F104-P141 HydrophobicContact CE1-CG 3.84Å; F104-P141 HydrophobicContact CZ-CG 3.84Å; F104-I144 HydrophobicContact CE2-CD1 3.78Å; F104-I144 HydrophobicContact CZ-CD1 3.75Å |
| 105 | M | 91.9 | Very high | 91.9 | Very high | 73 Ų | 73 | 71.3 Ų | 71.3 | 36% | 0.36 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -43.7 | 179.4 | -63.4 | -177 | 167.8 | 0 | 0 | 114.2 | H103 G109 | H103-M105 PolarHBondContact ND1-N 3.46Å; H103-M105 PolarHBondContact O-N 2.89Å; M105-G109 WeakPolarHBondContact O-CA 3.28Å; M105-G109 PolarHBondContact O-N 3.23Å |
| 106 | K | 92.3 | Very high | 92.1 | Very high | 164 Ų | 164 | 71.4 Ų | 71.4 | 71% | 0.713 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -39.2 | -169.5 | -61.3 | 176.9 | -174.9 | 167.7 | 0 | 113.3 | H103 | H103-K106 HydrophobicContact CB-CB 4.16Å; H103-K106 PolarHBondContact O-N 3.45Å |
| 107 | D | 92.2 | Very high | 92.2 | Very high | 107 Ų | 107 | 66.6 Ų | 66.6 | 57% | 0.572 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.7 | -42.2 | -172.8 | -59.9 | -39.5 | 0 | 0 | 0 | 111.9 | S102 H103 | S102-D107 WeakPolarHBondContact CA-OD2 3.5Å; H103-D107 PolarHBondContact N-OD2 3.45Å; H103-D107 WeakPolarHBondContact O-CB 3.5Å; H103-D107 PolarHBondContact O-N 2.64Å |
| 108 | L | 91.6 | Very high | 92.5 | Very high | 31 Ų | 31 | 60 Ų | 60 | 16% | 0.162 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -90 | -15.8 | -179.9 | -57.3 | 178.3 | 0 | 0 | 0 | 112.7 | I93 K97 L98 H103 F104 L110 | I93-L108 HydrophobicContact CD1-CD1 4.36Å; I93-L108 HydrophobicContact CG1-CD1 4.31Å; I93-L108 HydrophobicContact CG2-CD1 4.43Å; K97-L108 HydrophobicContact CB-CD2 4.43Å; L98-L108 HydrophobicContact CD1-CD1 4.04Å; H103-L108 PolarHBondContact O-N 3.05Å; F104-L108 HydrophobicContact CD1-CD1 4.06Å; F104-L108 CarbonylContact O-C 3.6Å; F104-L108 WeakPolarHBondContact O-CB 3.46Å; L108-L110 VanDerWaalsContact C-N 3.33Å; L108-L110 HydrophobicContact CB-CD1 4.37Å; L108-L110 HydrophobicContact CB-CG 4.05Å |
| 109 | G | 91.3 | Very high | 92.7 | Very high | 55 Ų | 55 | 59.4 Ų | 59.4 | 57% | 0.567 | 33% | 0.325 | S | S | * | . | trans | 68.5 | 31.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | F104 M105 | F104-G109 PolarHBondContact O-N 3.33Å; M105-G109 WeakPolarHBondContact O-CA 3.28Å; M105-G109 PolarHBondContact O-N 3.23Å | ||
| 110 | L | 93.6 | Very high | 92.7 | Very high | 9 Ų | 9 | 57.9 Ų | 57.9 | 5% | 0.047 | 32% | 0.319 | C | S | . | . | trans | -81.4 | 150.5 | 177.3 | -60.8 | 179.7 | 0 | 0 | 0 | 111.4 | Y90 K92 I93 F104 L108 D114 I118 | Y90-L110 HydrophobicContact CE1-CD2 4.26Å; K92-L110 HydrophobicContact CB-CD2 3.88Å; I93-L110 HydrophobicContact CD1-CD1 3.93Å; I93-L110 HydrophobicContact CG1-CD1 3.96Å; I93-L110 HydrophobicContact CG1-CD2 4.18Å; F104-L110 HydrophobicContact CB-CD1 4.16Å; F104-L110 HydrophobicContact CD1-CD1 4.05Å; F104-L110 HydrophobicContact CG-CD1 4.48Å; F104-L110 WeakPolarHBondContact O-CB 3.32Å; F104-L110 PolarHBondContact O-N 2.97Å; L108-L110 VanDerWaalsContact C-N 3.33Å; L108-L110 HydrophobicContact CB-CD1 4.37Å; L108-L110 HydrophobicContact CB-CG 4.05Å; L110-D114 HydrophobicContact CB-CB 4.04Å; L110-D114 HydrophobicContact CD2-CB 4.46Å; L110-I118 HydrophobicContact CD1-CD1 3.61Å | ||
| 111 | D | 93.7 | Very high | 92.8 | Very high | 109 Ų | 109 | 58 Ų | 58 | 58% | 0.583 | 32% | 0.324 | S | S | * | . | trans | -83.5 | 165.8 | 176.3 | -70.9 | -21.5 | 0 | 0 | 0 | 111.7 | L113 D114 Q115 | D111-L113 PolarHBondContact O-N 3.34Å; D111-D114 PolarHBondContact N-OD2 3.01Å; D111-D114 WeakPolarHBondContact O-CB 3.4Å; D111-D114 PolarHBondContact O-N 3.45Å; D111-D114 VanDerWaalsContact O-N 3.09Å; D111-Q115 PolarHBondContact O-N 3.01Å | ||
| 112 | S | 92.1 | Very high | 92.9 | Very high | 76 Ų | 76 | 53.8 Ų | 53.8 | 53% | 0.531 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63.3 | -27.4 | 177.4 | 56.8 | 0 | 0 | 0 | 0 | 113.4 | ||
| 113 | L | 92.9 | Very high | 93 | Very high | 125 Ų | 125 | 55.2 Ų | 55.2 | 65% | 0.654 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -71.1 | -37.1 | 173.2 | -66.1 | -179.9 | 0 | 0 | 0 | 111.7 | D111 Q115 V116 E117 | D111-L113 PolarHBondContact O-N 3.34Å; L113-Q115 VanDerWaalsContact C-N 3.27Å; L113-Q115 PolarHBondContact O-N 3.32Å; L113-V116 PolarHBondContact O-N 3.48Å; L113-V116 VanDerWaalsContact O-N 3.13Å; L113-E117 PolarHBondContact O-N 3.06Å |
| 114 | D | 93.8 | Very high | 92.9 | Very high | 8 Ų | 8 | 60.3 Ų | 60.3 | 4% | 0.043 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -65.7 | -35 | 179.2 | -61.2 | -13.3 | 0 | 0 | 0 | 110.8 | Y90 K92 L110 D111 E117 I118 | Y90-D114 HydrophobicContact CE1-CB 4.22Å; Y90-D114 WeakPolarHBondContact OH-CB 3.44Å; Y90-D114 PolarHBondContact OH-OD1 3.04Å; K92-D114 VanDerWaalsContact CD-OD2 3.26Å; K92-D114 WeakPolarHBondContact CD-OD2 3.41Å; K92-D114 IonicContact NZ-OD1 3.99Å; K92-D114 PolarHBondContact NZ-OD1 3.22Å; K92-D114 IonicContact NZ-OD2 3.13Å; K92-D114 PolarHBondContact NZ-OD2 2.95Å; K92-D114 VanDerWaalsContact NZ-OD2 3.08Å; L110-D114 HydrophobicContact CB-CB 4.04Å; L110-D114 HydrophobicContact CD2-CB 4.46Å; D111-D114 PolarHBondContact N-OD2 3.01Å; D111-D114 WeakPolarHBondContact O-CB 3.4Å; D111-D114 PolarHBondContact O-N 3.45Å; D111-D114 VanDerWaalsContact O-N 3.09Å; D114-E117 PolarHBondContact O-N 3.49Å; D114-I118 VanDerWaalsContact O-CG1 3.29Å; D114-I118 WeakPolarHBondContact O-CG1 3.21Å; D114-I118 PolarHBondContact O-N 2.88Å |
| 115 | Q | 92 | Very high | 92.9 | Very high | 13 Ų | 13 | 63.4 Ų | 63.4 | 6% | 0.061 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -59 | -46 | 172.1 | -177.8 | -178.8 | -1 | 0 | 0 | 111.6 | D111 L113 E117 I118 I119 A135 L138 | D111-Q115 PolarHBondContact O-N 3.01Å; L113-Q115 VanDerWaalsContact C-N 3.27Å; L113-Q115 PolarHBondContact O-N 3.32Å; Q115-E117 VanDerWaalsContact C-N 3.34Å; Q115-E117 PolarHBondContact O-N 2.53Å; Q115-I118 PolarHBondContact O-N 2.88Å; Q115-I119 HydrophobicContact CG-CD1 3.93Å; Q115-I119 VanDerWaalsContact O-CG1 3.25Å; Q115-I119 WeakPolarHBondContact O-CG1 3.49Å; Q115-I119 PolarHBondContact O-N 2.9Å; Q115-A135 PolarHBondContact NE2-O 2.89Å; Q115-L138 PolarHBondContact NE2-O 2.97Å |
| 116 | V | 92.4 | Very high | 92.9 | Very high | 79 Ų | 79 | 60.6 Ų | 60.6 | 48% | 0.479 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63.3 | -41.5 | 178.4 | 177.8 | 0 | 0 | 0 | 0 | 110.9 | L113 I119 M120 | L113-V116 PolarHBondContact O-N 3.48Å; L113-V116 VanDerWaalsContact O-N 3.13Å; V116-I119 PolarHBondContact O-N 3.41Å; V116-M120 HydrophobicContact CG1-CE 4.22Å; V116-M120 WeakPolarHBondContact O-CG 3.38Å; V116-M120 PolarHBondContact O-N 3.26Å |
| 117 | E | 93.4 | Very high | 92.7 | Very high | 91 Ų | 91 | 56 Ų | 56 | 43% | 0.425 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -61.3 | -44.2 | 175.9 | -70.4 | 179.4 | -179.8 | 0 | 0 | 113 | Y90 L113 D114 Q115 I119 M120 A121 | Y90-E117 HydrophobicContact CE2-CB 4.28Å; Y90-E117 WeakPolarHBondContact CE2-OE2 3.24Å; Y90-E117 PolarHBondContact OH-OE2 3.19Å; L113-E117 PolarHBondContact O-N 3.06Å; D114-E117 PolarHBondContact O-N 3.49Å; Q115-E117 VanDerWaalsContact C-N 3.34Å; Q115-E117 PolarHBondContact O-N 2.53Å; E117-I119 VanDerWaalsContact C-N 3.33Å; E117-I119 PolarHBondContact O-N 3.06Å; E117-M120 HydrophobicContact CB-CE 4.5Å; E117-M120 HydrophobicContact CG-CE 4.25Å; E117-M120 PolarHBondContact O-N 2.96Å; E117-A121 PolarHBondContact O-N 3.4Å |
| 118 | I | 93.9 | Very high | 92.6 | Very high | 4 Ų | 4 | 52.2 Ų | 52.2 | 2% | 0.021 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.8 | -42.7 | 177.4 | -71.4 | 166.4 | 0 | 0 | 0 | 110.5 | L87 Y90 I93 L110 D114 Q115 A121 M122 | L87-I118 HydrophobicContact CD2-CD1 4.19Å; L87-I118 HydrophobicContact CD2-CG1 4.46Å; L87-I118 HydrophobicContact CD2-CG2 3.62Å; Y90-I118 HydrophobicContact CD1-CD1 4.33Å; Y90-I118 HydrophobicContact CD1-CG1 4.49Å; Y90-I118 HydrophobicContact CD2-CG1 4.25Å; Y90-I118 HydrophobicContact CE1-CD1 4.37Å; Y90-I118 HydrophobicContact CE2-CG1 4.34Å; Y90-I118 HydrophobicContact CG-CG1 4.34Å; I93-I118 HydrophobicContact CD1-CD1 4.03Å; L110-I118 HydrophobicContact CD1-CD1 3.61Å; D114-I118 VanDerWaalsContact O-CG1 3.29Å; D114-I118 WeakPolarHBondContact O-CG1 3.21Å; D114-I118 PolarHBondContact O-N 2.88Å; Q115-I118 PolarHBondContact O-N 2.88Å; I118-A121 PolarHBondContact O-N 3.46Å; I118-M122 HydrophobicContact CG2-CE 4.22Å; I118-M122 WeakPolarHBondContact O-CG 3.42Å; I118-M122 PolarHBondContact O-N 3.25Å |
| 119 | I | 93.9 | Very high | 92.5 | Very high | 11 Ų | 11 | 58.7 Ų | 58.7 | 6% | 0.056 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -64.5 | -45.2 | -179.5 | -69.1 | 172.5 | 0 | 0 | 0 | 110.6 | Q115 V116 E117 A121 M122 E123 I130 A135 | Q115-I119 HydrophobicContact CG-CD1 3.93Å; Q115-I119 VanDerWaalsContact O-CG1 3.25Å; Q115-I119 WeakPolarHBondContact O-CG1 3.49Å; Q115-I119 PolarHBondContact O-N 2.9Å; V116-I119 PolarHBondContact O-N 3.41Å; E117-I119 VanDerWaalsContact C-N 3.33Å; E117-I119 PolarHBondContact O-N 3.06Å; I119-A121 VanDerWaalsContact C-N 3.28Å; I119-A121 PolarHBondContact O-N 3.11Å; I119-M122 WeakPolarHBondContact O-CB 3.06Å; I119-M122 PolarHBondContact O-N 3.33Å; I119-E123 WeakPolarHBondContact O-CG 3.43Å; I119-E123 PolarHBondContact O-N 3.4Å; I119-I130 HydrophobicContact CG2-CB 4.45Å; I119-I130 HydrophobicContact CG2-CD1 3.98Å; I119-A135 HydrophobicContact CD1-CB 3.69Å; I119-A135 VanDerWaalsContact CD1-O 3.25Å; I119-A135 WeakPolarHBondContact CD1-O 3.26Å; I119-A135 HydrophobicContact CG2-CB 4.01Å |
| 120 | M | 93.6 | Very high | 92.6 | Very high | 91 Ų | 91 | 56.4 Ų | 56.4 | 45% | 0.448 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -58.2 | -39.7 | 174 | -69.9 | -174.3 | -61.6 | 0 | 0 | 112.2 | V116 E117 M122 E123 D124 | V116-M120 HydrophobicContact CG1-CE 4.22Å; V116-M120 WeakPolarHBondContact O-CG 3.38Å; V116-M120 PolarHBondContact O-N 3.26Å; E117-M120 HydrophobicContact CB-CE 4.5Å; E117-M120 HydrophobicContact CG-CE 4.25Å; E117-M120 PolarHBondContact O-N 2.96Å; M120-M122 VanDerWaalsContact C-N 3.31Å; M120-M122 PolarHBondContact O-N 3.15Å; M120-E123 WeakPolarHBondContact O-CB 3.5Å; M120-E123 PolarHBondContact O-N 3.08Å; M120-D124 PolarHBondContact O-N 3.42Å; M120-D124 VanDerWaalsContact O-N 3.09Å |
| 121 | A | 94.5 | Very high | 92.6 | Very high | 39 Ų | 39 | 59 Ų | 59 | 32% | 0.322 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -65.7 | -32.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | V86 E117 I118 I119 E125 | V86-A121 HydrophobicContact CG1-CB 3.93Å; E117-A121 PolarHBondContact O-N 3.4Å; I118-A121 PolarHBondContact O-N 3.46Å; I119-A121 VanDerWaalsContact C-N 3.28Å; I119-A121 PolarHBondContact O-N 3.11Å; A121-E125 WeakPolarHBondContact O-CB 3.41Å; A121-E125 PolarHBondContact O-N 3.03Å; A121-E125 VanDerWaalsContact O-N 3.14Å |
| 122 | M | 93.9 | Very high | 92.5 | Very high | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.005 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -72.1 | -41.3 | 175.2 | -64.9 | -66.5 | 174.1 | 0 | 0 | 111.8 | V83 V86 L87 I118 I119 M120 D124 E125 F126 I144 | V83-M122 HydrophobicContact CB-CE 4.35Å; V83-M122 HydrophobicContact CB-SD 4.36Å; V83-M122 HydrophobicContact CG1-CE 3.77Å; V83-M122 HydrophobicContact CG1-SD 4.24Å; V83-M122 HydrophobicContact CG2-SD 4.08Å; V86-M122 HydrophobicContact CB-CE 3.71Å; V86-M122 HydrophobicContact CB-SD 4.01Å; V86-M122 HydrophobicContact CG1-CE 3.68Å; V86-M122 HydrophobicContact CG1-SD 4.03Å; V86-M122 HydrophobicContact CG2-SD 4.3Å; L87-M122 HydrophobicContact CD1-CE 4.45Å; L87-M122 HydrophobicContact CD2-CE 4.02Å; L87-M122 HydrophobicContact CG-CE 3.79Å; I118-M122 HydrophobicContact CG2-CE 4.22Å; I118-M122 WeakPolarHBondContact O-CG 3.42Å; I118-M122 PolarHBondContact O-N 3.25Å; I119-M122 WeakPolarHBondContact O-CB 3.06Å; I119-M122 PolarHBondContact O-N 3.33Å; M120-M122 VanDerWaalsContact C-N 3.31Å; M120-M122 PolarHBondContact O-N 3.15Å; M122-D124 VanDerWaalsContact C-N 3.3Å; M122-D124 PolarHBondContact O-N 2.89Å; M122-E125 PolarHBondContact O-N 2.94Å; M122-F126 WeakPolarHBondContact O-CD2 3.49Å; M122-F126 PolarHBondContact O-N 3.08Å; M122-F126 VanDerWaalsContact O-N 3.15Å; M122-I144 HydrophobicContact CG-CG2 4.27Å; M122-I144 HydrophobicContact SD-CG2 4.46Å |
| 123 | E | 93.4 | Very high | 92.5 | Very high | 35 Ų | 35 | 59.4 Ų | 59.4 | 16% | 0.164 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -55.7 | -46.7 | 174 | -72.4 | 177.1 | 158.6 | 0 | 0 | 111.5 | I119 M120 G127 F128 I130 | I119-E123 WeakPolarHBondContact O-CG 3.43Å; I119-E123 PolarHBondContact O-N 3.4Å; M120-E123 WeakPolarHBondContact O-CB 3.5Å; M120-E123 PolarHBondContact O-N 3.08Å; E123-G127 VanDerWaalsContact O-CA 3.3Å; E123-G127 WeakPolarHBondContact O-CA 3.34Å; E123-G127 PolarHBondContact O-N 2.97Å; E123-F128 VanDerWaalsContact CA-O 3.27Å; E123-F128 WeakPolarHBondContact CA-O 3.5Å; E123-F128 WeakPolarHBondContact CB-O 3.21Å; E123-F128 WeakPolarHBondContact CG-O 3.38Å; E123-F128 PolarHBondContact O-N 3.34Å; E123-I130 HydrophobicContact CG-CB 4.38Å; E123-I130 HydrophobicContact CG-CD1 4.04Å; E123-I130 HydrophobicContact CG-CG1 3.98Å; E123-I130 WeakPolarHBondContact OE1-CA 3.37Å; E123-I130 VanDerWaalsContact OE1-CB 3.24Å; E123-I130 WeakPolarHBondContact OE1-CB 3.29Å; E123-I130 PolarHBondContact OE1-N 2.93Å |
| 124 | D | 93.1 | Very high | 92.4 | Very high | 143 Ų | 143 | 57.2 Ų | 57.2 | 77% | 0.765 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -63.4 | -42.6 | 176.9 | -79.3 | -14.5 | 0 | 0 | 0 | 112.4 | M120 M122 F126 | M120-D124 PolarHBondContact O-N 3.42Å; M120-D124 VanDerWaalsContact O-N 3.09Å; M122-D124 VanDerWaalsContact C-N 3.3Å; M122-D124 PolarHBondContact O-N 2.89Å; D124-F126 VanDerWaalsContact C-N 3.34Å; D124-F126 PolarHBondContact O-N 2.98Å |
| 125 | E | 91.4 | Very high | 92.3 | Very high | 68 Ų | 68 | 57.3 Ų | 57.3 | 32% | 0.318 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -65.8 | -34.3 | -177.7 | 179.1 | 63.4 | -165.4 | 0 | 0 | 112.8 | R82 V86 A121 M122 | R82-E125 IonicContact CZ-OE1 2.8Å; R82-E125 IonicContact NE-OE1 3.08Å; R82-E125 PolarHBondContact NE-OE1 3.19Å; R82-E125 PolarHBondContact NH2-O 3.03Å; R82-E125 IonicContact NH2-OE1 2.58Å; R82-E125 PolarHBondContact NH2-OE1 3.31Å; R82-E125 IonicContact NH2-OE2 2.66Å; V86-E125 HydrophobicContact CG2-CB 4.21Å; V86-E125 HydrophobicContact CG2-CG 3.95Å; A121-E125 WeakPolarHBondContact O-CB 3.41Å; A121-E125 PolarHBondContact O-N 3.03Å; A121-E125 VanDerWaalsContact O-N 3.14Å; M122-E125 PolarHBondContact O-N 2.94Å |
| 126 | F | 90.9 | Very high | 92.3 | Very high | 14 Ų | 14 | 63.3 Ų | 63.3 | 6% | 0.061 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -109 | -4.6 | -175.9 | -69.3 | -83.9 | 0 | 0 | 0 | 114.1 | I79 R82 V83 M122 D124 F128 I148 K152 | I79-F126 HydrophobicContact CG1-CE1 4.3Å; I79-F126 HydrophobicContact CG2-CE1 4.26Å; I79-F126 HydrophobicContact CG2-CZ 4.11Å; R82-F126 HydrophobicContact CB-CE1 4.46Å; R82-F126 HydrophobicContact CB-CZ 3.79Å; V83-F126 HydrophobicContact CG2-CE2 3.96Å; V83-F126 HydrophobicContact CG2-CZ 4.09Å; M122-F126 WeakPolarHBondContact O-CD2 3.49Å; M122-F126 PolarHBondContact O-N 3.08Å; M122-F126 VanDerWaalsContact O-N 3.15Å; D124-F126 VanDerWaalsContact C-N 3.34Å; D124-F126 PolarHBondContact O-N 2.98Å; F126-F128 HydrophobicContact CB-CD1 3.42Å; F126-F128 VanDerWaalsContact CB-CD1 3.42Å; F126-F128 HydrophobicContact CB-CE1 3.21Å; F126-F128 HydrophobicContact CB-CZ 4.41Å; F126-F128 HydrophobicContact CD2-CE1 4.37Å; F126-F128 AromaticContact CG-CE1 3.96Å; F126-F128 HydrophobicContact CG-CE1 3.96Å; F126-I148 HydrophobicContact CD1-CG2 3.88Å; F126-I148 HydrophobicContact CD2-CD1 3.82Å; F126-I148 HydrophobicContact CD2-CG1 4.47Å; F126-I148 HydrophobicContact CE1-CG2 3.94Å; F126-I148 HydrophobicContact CE2-CD1 3.55Å; F126-I148 HydrophobicContact CG-CD1 4.46Å; F126-I148 HydrophobicContact CG-CG2 4.24Å; F126-I148 HydrophobicContact CZ-CD1 3.95Å; F126-I148 HydrophobicContact CZ-CG2 4.36Å; F126-K152 PolarHBondContact O-NZ 3.48Å |
| 127 | G | 89.4 | Confident | 92.2 | Very high | 67 Ų | 67 | 66.6 Ų | 66.6 | 69% | 0.691 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.8 | 45.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | E123 | E123-G127 VanDerWaalsContact O-CA 3.3Å; E123-G127 WeakPolarHBondContact O-CA 3.34Å; E123-G127 PolarHBondContact O-N 2.97Å |
| 128 | F | 89 | Confident | 92.2 | Very high | 28 Ų | 28 | 62.8 Ų | 62.8 | 12% | 0.123 | 34% | 0.344 | C | S | . | . | trans | -141.4 | 164.8 | 174.5 | 68.5 | -95 | 0 | 0 | 0 | 110.9 | E123 F126 I130 Y147 I148 | E123-F128 VanDerWaalsContact CA-O 3.27Å; E123-F128 WeakPolarHBondContact CA-O 3.5Å; E123-F128 WeakPolarHBondContact CB-O 3.21Å; E123-F128 WeakPolarHBondContact CG-O 3.38Å; E123-F128 PolarHBondContact O-N 3.34Å; F126-F128 HydrophobicContact CB-CD1 3.42Å; F126-F128 VanDerWaalsContact CB-CD1 3.42Å; F126-F128 HydrophobicContact CB-CE1 3.21Å; F126-F128 HydrophobicContact CB-CZ 4.41Å; F126-F128 HydrophobicContact CD2-CE1 4.37Å; F126-F128 AromaticContact CG-CE1 3.96Å; F126-F128 HydrophobicContact CG-CE1 3.96Å; F128-I130 HydrophobicContact CD2-CG1 3.85Å; F128-I130 HydrophobicContact CE2-CD1 3.58Å; F128-I130 HydrophobicContact CE2-CG1 3.29Å; F128-I130 HydrophobicContact CZ-CD1 4.13Å; F128-I130 HydrophobicContact CZ-CG1 4.3Å; F128-Y147 HydrophobicContact CE2-CD1 4.17Å; F128-Y147 AromaticContact CE2-CE1 3.82Å; F128-Y147 HydrophobicContact CE2-CE1 3.82Å; F128-Y147 HydrophobicContact CZ-CD1 4.46Å; F128-I148 HydrophobicContact CE1-CG1 3.89Å; F128-I148 HydrophobicContact CE1-CG2 4.35Å; F128-I148 HydrophobicContact CZ-CG1 3.61Å | ||
| 129 | E | 91 | Very high | 92.1 | Very high | 166 Ų | 166 | 65 Ų | 65 | 78% | 0.776 | 36% | 0.355 | S | S | * | . | trans | -111.7 | 130.9 | -178.5 | -169.3 | 175.4 | -174.3 | 0 | 0 | 109.3 | ||||
| 130 | I | 92.3 | Very high | 92.1 | Very high | 7 Ų | 7 | 65.4 Ų | 65.4 | 4% | 0.036 | 36% | 0.358 | C | S | . | . | trans | -102.9 | 125.4 | 177.4 | -59 | 169.7 | 0 | 0 | 0 | 107.5 | I119 E123 F128 E134 A135 L138 Y147 | I119-I130 HydrophobicContact CG2-CB 4.45Å; I119-I130 HydrophobicContact CG2-CD1 3.98Å; E123-I130 HydrophobicContact CG-CB 4.38Å; E123-I130 HydrophobicContact CG-CD1 4.04Å; E123-I130 HydrophobicContact CG-CG1 3.98Å; E123-I130 WeakPolarHBondContact OE1-CA 3.37Å; E123-I130 VanDerWaalsContact OE1-CB 3.24Å; E123-I130 WeakPolarHBondContact OE1-CB 3.29Å; E123-I130 PolarHBondContact OE1-N 2.93Å; F128-I130 HydrophobicContact CD2-CG1 3.85Å; F128-I130 HydrophobicContact CE2-CD1 3.58Å; F128-I130 HydrophobicContact CE2-CG1 3.29Å; F128-I130 HydrophobicContact CZ-CD1 4.13Å; F128-I130 HydrophobicContact CZ-CG1 4.3Å; I130-E134 HydrophobicContact CG2-CB 4.13Å; I130-A135 HydrophobicContact CG2-CB 3.97Å; I130-L138 HydrophobicContact CD1-CD1 4.27Å; I130-L138 HydrophobicContact CG2-CD1 4.4Å; I130-Y147 HydrophobicContact CD1-CD1 4.39Å; I130-Y147 HydrophobicContact CD1-CE1 4.25Å; I130-Y147 HydrophobicContact CG1-CD1 4.45Å; I130-Y147 HydrophobicContact CG1-CE1 3.82Å; I130-Y147 HydrophobicContact CG2-CE1 4.36Å | ||
| 131 | P | 93.4 | Very high | 92.1 | Very high | 64 Ų | 64 | 61.1 Ų | 61.1 | 42% | 0.416 | 34% | 0.337 | S | S | . | . | trans | -67.7 | 142.8 | 174.5 | 28.7 | -33.1 | 0 | 0 | 0 | 111 | A133 E134 A135 | P131-A133 PolarHBondContact O-N 3.08Å; P131-E134 HydrophobicContact CG-CB 4.03Å; P131-E134 HydrophobicContact CG-CG 3.86Å; P131-E134 WeakPolarHBondContact CG-OE2 3.39Å; P131-E134 PolarHBondContact O-N 3.39Å; P131-A135 PolarHBondContact O-N 3.34Å | ||
| 132 | D | 91.3 | Very high | 92.1 | Very high | 129 Ų | 129 | 63.1 Ų | 63.1 | 69% | 0.69 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -49.5 | -40 | -178.6 | -64.5 | -19.1 | 0 | 0 | 0 | 113.6 | E134 A135 E136 | D132-E134 PolarHBondContact O-N 2.59Å; D132-A135 PolarHBondContact O-N 3.32Å; D132-E136 WeakPolarHBondContact O-CG 3.47Å; D132-E136 PolarHBondContact O-N 2.58Å |
| 133 | A | 91.8 | Very high | 92.1 | Very high | 65 Ų | 65 | 66.5 Ų | 66.5 | 54% | 0.537 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -64.7 | -21 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | P131 K137 | P131-A133 PolarHBondContact O-N 3.08Å; A133-K137 WeakPolarHBondContact O-CE 3.38Å; A133-K137 PolarHBondContact O-NZ 3.27Å |
| 134 | E | 91.6 | Very high | 92.1 | Very high | 79 Ų | 79 | 65 Ų | 65 | 37% | 0.369 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -95.3 | -42 | 173.3 | -66.7 | 175.8 | -174.8 | 0 | 0 | 110.2 | I130 P131 D132 E136 K137 L138 Y147 | I130-E134 HydrophobicContact CG2-CB 4.13Å; P131-E134 HydrophobicContact CG-CB 4.03Å; P131-E134 HydrophobicContact CG-CG 3.86Å; P131-E134 WeakPolarHBondContact CG-OE2 3.39Å; P131-E134 PolarHBondContact O-N 3.39Å; D132-E134 PolarHBondContact O-N 2.59Å; E134-E136 VanDerWaalsContact C-N 3.3Å; E134-E136 PolarHBondContact O-N 3.21Å; E134-K137 WeakPolarHBondContact O-CB 3.06Å; E134-K137 PolarHBondContact O-N 3.13Å; E134-L138 PolarHBondContact O-N 3.4Å; E134-Y147 HydrophobicContact CB-CE2 4.32Å; E134-Y147 WeakPolarHBondContact OE2-CE2 3.47Å; E134-Y147 PolarHBondContact OE2-OH 3.04Å |
| 135 | A | 91.6 | Very high | 92.1 | Very high | 10 Ų | 10 | 59.1 Ų | 59.1 | 8% | 0.083 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -52.4 | -44.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113 | Q115 I119 I130 P131 D132 K137 L138 | Q115-A135 PolarHBondContact NE2-O 2.89Å; I119-A135 HydrophobicContact CD1-CB 3.69Å; I119-A135 VanDerWaalsContact CD1-O 3.25Å; I119-A135 WeakPolarHBondContact CD1-O 3.26Å; I119-A135 HydrophobicContact CG2-CB 4.01Å; I130-A135 HydrophobicContact CG2-CB 3.97Å; P131-A135 PolarHBondContact O-N 3.34Å; D132-A135 PolarHBondContact O-N 3.32Å; A135-K137 PolarHBondContact O-N 3.09Å; A135-K137 VanDerWaalsContact O-N 3.15Å; A135-L138 PolarHBondContact O-N 3.28Å; A135-L138 VanDerWaalsContact O-N 3.12Å |
| 136 | E | 91.5 | Very high | 92.2 | Very high | 139 Ų | 139 | 60.9 Ų | 60.9 | 65% | 0.65 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -24.5 | 177.6 | -75.5 | -179.1 | 179.4 | 0 | 0 | 113.6 | D132 E134 M139 | D132-E136 WeakPolarHBondContact O-CG 3.47Å; D132-E136 PolarHBondContact O-N 2.58Å; E134-E136 VanDerWaalsContact C-N 3.3Å; E134-E136 PolarHBondContact O-N 3.21Å; E136-M139 WeakPolarHBondContact O-CE 3.41Å |
| 137 | K | 91.5 | Very high | 92.2 | Very high | 147 Ų | 147 | 62 Ų | 62 | 64% | 0.639 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -18.7 | -179.6 | -61.1 | 171.5 | -173.1 | 158 | 0 | 112.6 | A133 E134 A135 M139 | A133-K137 WeakPolarHBondContact O-CE 3.38Å; A133-K137 PolarHBondContact O-NZ 3.27Å; E134-K137 WeakPolarHBondContact O-CB 3.06Å; E134-K137 PolarHBondContact O-N 3.13Å; A135-K137 PolarHBondContact O-N 3.09Å; A135-K137 VanDerWaalsContact O-N 3.15Å; K137-M139 PolarHBondContact O-N 3.21Å; K137-M139 VanDerWaalsContact O-N 3.08Å |
| 138 | L | 92.6 | Very high | 92.3 | Very high | 12 Ų | 12 | 58.9 Ų | 58.9 | 6% | 0.063 | 30% | 0.298 | C | S | . | . | trans | -79.4 | 89 | -178.9 | -59.9 | 176 | 0 | 0 | 0 | 109.6 | Q115 I130 E134 A135 E143 I144 Y147 | Q115-L138 PolarHBondContact NE2-O 2.97Å; I130-L138 HydrophobicContact CD1-CD1 4.27Å; I130-L138 HydrophobicContact CG2-CD1 4.4Å; E134-L138 PolarHBondContact O-N 3.4Å; A135-L138 PolarHBondContact O-N 3.28Å; A135-L138 VanDerWaalsContact O-N 3.12Å; L138-E143 HydrophobicContact CD2-CB 3.95Å; L138-I144 HydrophobicContact CB-CG1 4.02Å; L138-I144 HydrophobicContact CD1-CG1 4.3Å; L138-Y147 HydrophobicContact CD1-CG 4.45Å; L138-Y147 HydrophobicContact CD2-CG 4.48Å | ||
| 139 | M | 92.8 | Very high | 92.4 | Very high | 50 Ų | 50 | 57.9 Ų | 57.9 | 25% | 0.246 | 29% | 0.294 | C | S | . | . | trans | -102.6 | -13.1 | -174.4 | -69.6 | -64.2 | 179.9 | 0 | 0 | 113.2 | F104 E136 K137 E143 | F104-M139 WeakPolarHBondContact CD2-O 3.41Å; F104-M139 PolarHBondContact N-O 3.33Å; E136-M139 WeakPolarHBondContact O-CE 3.41Å; K137-M139 PolarHBondContact O-N 3.21Å; K137-M139 VanDerWaalsContact O-N 3.08Å; M139-E143 PolarHBondContact N-OE2 3Å | ||
| 140 | T | 94.1 | Very high | 92.3 | Very high | 19 Ų | 19 | 53.8 Ų | 53.8 | 12% | 0.117 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -129.6 | 152.4 | 179.2 | 63.5 | 0 | 0 | 0 | 0 | 112.1 | E142 E143 I144 | T140-E142 PolarHBondContact O-N 3.05Å; T140-E143 PolarHBondContact N-OE2 3.3Å; T140-E143 VanDerWaalsContact N-OE2 3.07Å; T140-E143 PolarHBondContact O-N 2.95Å; T140-E143 WeakPolarHBondContact OG1-CG 3.33Å; T140-E143 PolarHBondContact OG1-N 3.25Å; T140-E143 PolarHBondContact OG1-OE2 3.37Å; T140-I144 PolarHBondContact O-N 3.31Å |
| 141 | P | 93.7 | Very high | 92.1 | Very high | 1 Ų | 1 | 59.2 Ų | 59.2 | 1% | 0.006 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -58.7 | -34.3 | 172.9 | -23.3 | 32 | 0 | 0 | 0 | 113.2 | V83 L87 V100 S102 F104 I144 V145 | V83-P141 HydrophobicContact CG1-CB 4.5Å; L87-P141 HydrophobicContact CD1-CB 3.75Å; L87-P141 HydrophobicContact CD1-CG 3.68Å; V100-P141 WeakPolarHBondContact O-CD 3.29Å; S102-P141 WeakPolarHBondContact O-CD 3.25Å; F104-P141 HydrophobicContact CE1-CG 3.84Å; F104-P141 HydrophobicContact CZ-CG 3.84Å; P141-I144 PolarHBondContact O-N 3.12Å; P141-V145 WeakPolarHBondContact O-CG2 3.42Å; P141-V145 PolarHBondContact O-N 3.3Å |
| 142 | E | 94.4 | Very high | 91.6 | Very high | 82 Ų | 82 | 59.9 Ų | 59.9 | 38% | 0.383 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61 | -46 | 177.2 | -167.9 | 173 | 172.8 | 0 | 0 | 112.4 | V100 T101 T140 I144 V145 Q146 | V100-E142 HydrophobicContact CG1-CB 4.01Å; V100-E142 HydrophobicContact CG1-CG 4.42Å; V100-E142 PolarHBondContact O-N 3.15Å; T101-E142 WeakPolarHBondContact CG2-OE2 3.05Å; T140-E142 PolarHBondContact O-N 3.05Å; E142-I144 VanDerWaalsContact C-N 3.29Å; E142-I144 PolarHBondContact O-N 3.45Å; E142-V145 PolarHBondContact O-N 3.05Å; E142-Q146 WeakPolarHBondContact O-CG 3.07Å; E142-Q146 PolarHBondContact O-N 3.33Å |
| 143 | E | 93.8 | Very high | 90.9 | Very high | 72 Ų | 72 | 60 Ų | 60 | 34% | 0.336 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.3 | -39.3 | 176.9 | -73.1 | 161.2 | -179.7 | 0 | 0 | 111.4 | L138 M139 T140 Q146 Y147 | L138-E143 HydrophobicContact CD2-CB 3.95Å; M139-E143 PolarHBondContact N-OE2 3Å; T140-E143 PolarHBondContact N-OE2 3.3Å; T140-E143 VanDerWaalsContact N-OE2 3.07Å; T140-E143 PolarHBondContact O-N 2.95Å; T140-E143 WeakPolarHBondContact OG1-CG 3.33Å; T140-E143 PolarHBondContact OG1-N 3.25Å; T140-E143 PolarHBondContact OG1-OE2 3.37Å; E143-Q146 PolarHBondContact O-N 3.33Å; E143-Y147 WeakPolarHBondContact O-CB 3.36Å; E143-Y147 PolarHBondContact O-N 3.41Å |
| 144 | I | 92.8 | Very high | 89.9 | Confident | 3 Ų | 3 | 58.1 Ų | 58.1 | 2% | 0.015 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.5 | -45.3 | 175.5 | -64.9 | 173.9 | 0 | 0 | 0 | 110.7 | V83 F104 M122 L138 T140 P141 E142 Q146 Y147 I148 | V83-I144 HydrophobicContact CG1-CG2 4.25Å; V83-I144 HydrophobicContact CG2-CG2 4.16Å; F104-I144 HydrophobicContact CE2-CD1 3.78Å; F104-I144 HydrophobicContact CZ-CD1 3.75Å; M122-I144 HydrophobicContact CG-CG2 4.27Å; M122-I144 HydrophobicContact SD-CG2 4.46Å; L138-I144 HydrophobicContact CB-CG1 4.02Å; L138-I144 HydrophobicContact CD1-CG1 4.3Å; T140-I144 PolarHBondContact O-N 3.31Å; P141-I144 PolarHBondContact O-N 3.12Å; E142-I144 VanDerWaalsContact C-N 3.29Å; E142-I144 PolarHBondContact O-N 3.45Å; I144-Q146 VanDerWaalsContact C-N 3.35Å; I144-Q146 PolarHBondContact O-N 3.07Å; I144-Y147 PolarHBondContact O-N 3.35Å; I144-I148 HydrophobicContact CG2-CD1 3.64Å; I144-I148 HydrophobicContact CG2-CG1 4.41Å; I144-I148 WeakPolarHBondContact O-CD1 3.07Å; I144-I148 VanDerWaalsContact O-CG1 3.24Å; I144-I148 WeakPolarHBondContact O-CG1 3.46Å; I144-I148 PolarHBondContact O-N 3.23Å |
| 145 | V | 93.3 | Very high | 88.5 | Confident | 20 Ų | 20 | 61.1 Ų | 61.1 | 12% | 0.121 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.2 | -45 | 178.5 | 171.6 | 0 | 0 | 0 | 0 | 110.9 | I79 K80 V83 P141 E142 I148 A149 | I79-V145 HydrophobicContact CG2-CG1 4.09Å; K80-V145 HydrophobicContact CB-CG1 4.33Å; K80-V145 HydrophobicContact CB-CG2 4.32Å; K80-V145 HydrophobicContact CG-CG2 4.49Å; V83-V145 HydrophobicContact CB-CG2 3.94Å; V83-V145 HydrophobicContact CG1-CG2 4.04Å; V83-V145 HydrophobicContact CG2-CG2 3.87Å; P141-V145 WeakPolarHBondContact O-CG2 3.42Å; P141-V145 PolarHBondContact O-N 3.3Å; E142-V145 PolarHBondContact O-N 3.05Å; V145-I148 PolarHBondContact O-N 3.07Å; V145-A149 WeakPolarHBondContact O-CB 3.25Å; V145-A149 PolarHBondContact O-N 3.3Å |
| 146 | Q | 92.5 | Very high | 86.8 | Confident | 105 Ų | 105 | 71 Ų | 71 | 49% | 0.491 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -62.1 | -45.2 | 176.9 | -71.9 | 177.2 | 8.5 | 0 | 0 | 111.3 | E142 E143 I144 I148 A149 D150 | E142-Q146 WeakPolarHBondContact O-CG 3.07Å; E142-Q146 PolarHBondContact O-N 3.33Å; E143-Q146 PolarHBondContact O-N 3.33Å; I144-Q146 VanDerWaalsContact C-N 3.35Å; I144-Q146 PolarHBondContact O-N 3.07Å; Q146-I148 VanDerWaalsContact C-N 3.33Å; Q146-I148 PolarHBondContact O-N 2.79Å; Q146-A149 WeakPolarHBondContact O-CB 3.18Å; Q146-A149 PolarHBondContact O-N 3.45Å; Q146-D150 VanDerWaalsContact O-CG 3.29Å; Q146-D150 PolarHBondContact O-N 3.32Å |
| 147 | Y | 92.8 | Very high | 86.6 | Confident | 38 Ų | 38 | 67.7 Ų | 67.7 | 15% | 0.149 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -59.2 | -43.5 | 177.6 | -173.8 | -88.3 | 0 | 0 | 0 | 112.5 | F128 I130 E134 L138 E143 I144 D150 K151 | F128-Y147 HydrophobicContact CE2-CD1 4.17Å; F128-Y147 AromaticContact CE2-CE1 3.82Å; F128-Y147 HydrophobicContact CE2-CE1 3.82Å; F128-Y147 HydrophobicContact CZ-CD1 4.46Å; I130-Y147 HydrophobicContact CD1-CD1 4.39Å; I130-Y147 HydrophobicContact CD1-CE1 4.25Å; I130-Y147 HydrophobicContact CG1-CD1 4.45Å; I130-Y147 HydrophobicContact CG1-CE1 3.82Å; I130-Y147 HydrophobicContact CG2-CE1 4.36Å; E134-Y147 HydrophobicContact CB-CE2 4.32Å; E134-Y147 WeakPolarHBondContact OE2-CE2 3.47Å; E134-Y147 PolarHBondContact OE2-OH 3.04Å; L138-Y147 HydrophobicContact CD1-CG 4.45Å; L138-Y147 HydrophobicContact CD2-CG 4.48Å; E143-Y147 WeakPolarHBondContact O-CB 3.36Å; E143-Y147 PolarHBondContact O-N 3.41Å; I144-Y147 PolarHBondContact O-N 3.35Å; Y147-D150 PolarHBondContact O-N 3.38Å; Y147-K151 WeakPolarHBondContact O-CB 3.44Å; Y147-K151 PolarHBondContact O-N 3.03Å |
| 148 | I | 90.4 | Very high | 86.4 | Confident | 1 Ų | 1 | 63.5 Ų | 63.5 | 1% | 0.005 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -66.3 | -42.8 | 177.5 | -65.8 | 159.3 | 0 | 0 | 0 | 111.1 | I79 V83 F126 F128 I144 V145 Q146 D150 K151 K152 | I79-I148 HydrophobicContact CD1-CG2 4.15Å; I79-I148 HydrophobicContact CG1-CG2 4.26Å; I79-I148 HydrophobicContact CG2-CB 3.87Å; I79-I148 HydrophobicContact CG2-CD1 4.15Å; I79-I148 HydrophobicContact CG2-CG2 3.66Å; V83-I148 HydrophobicContact CG2-CD1 3.58Å; F126-I148 HydrophobicContact CD1-CG2 3.88Å; F126-I148 HydrophobicContact CD2-CD1 3.82Å; F126-I148 HydrophobicContact CD2-CG1 4.47Å; F126-I148 HydrophobicContact CE1-CG2 3.94Å; F126-I148 HydrophobicContact CE2-CD1 3.55Å; F126-I148 HydrophobicContact CG-CD1 4.46Å; F126-I148 HydrophobicContact CG-CG2 4.24Å; F126-I148 HydrophobicContact CZ-CD1 3.95Å; F126-I148 HydrophobicContact CZ-CG2 4.36Å; F128-I148 HydrophobicContact CE1-CG1 3.89Å; F128-I148 HydrophobicContact CE1-CG2 4.35Å; F128-I148 HydrophobicContact CZ-CG1 3.61Å; I144-I148 HydrophobicContact CG2-CD1 3.64Å; I144-I148 HydrophobicContact CG2-CG1 4.41Å; I144-I148 WeakPolarHBondContact O-CD1 3.07Å; I144-I148 VanDerWaalsContact O-CG1 3.24Å; I144-I148 WeakPolarHBondContact O-CG1 3.46Å; I144-I148 PolarHBondContact O-N 3.23Å; V145-I148 PolarHBondContact O-N 3.07Å; Q146-I148 VanDerWaalsContact C-N 3.33Å; Q146-I148 PolarHBondContact O-N 2.79Å; I148-D150 VanDerWaalsContact C-N 3.32Å; I148-K151 PolarHBondContact O-N 3.08Å; I148-K152 HydrophobicContact CG2-CG 4.33Å; I148-K152 WeakPolarHBondContact O-CB 3.47Å; I148-K152 WeakPolarHBondContact O-CG 3.5Å; I148-K152 PolarHBondContact O-N 3.15Å |
| 149 | A | 90.4 | Very high | 86 | Confident | 6 Ų | 6 | 66.3 Ų | 66.3 | 5% | 0.05 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -58.9 | -46.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | L76 I79 V145 Q146 K151 K152 D153 V154 | L76-A149 HydrophobicContact CD2-CB 3.44Å; L76-A149 VanDerWaalsContact CD2-CB 3.44Å; I79-A149 HydrophobicContact CD1-CB 4.45Å; V145-A149 WeakPolarHBondContact O-CB 3.25Å; V145-A149 PolarHBondContact O-N 3.3Å; Q146-A149 WeakPolarHBondContact O-CB 3.18Å; Q146-A149 PolarHBondContact O-N 3.45Å; A149-K151 VanDerWaalsContact C-N 3.35Å; A149-K151 PolarHBondContact O-N 2.8Å; A149-K152 PolarHBondContact O-N 3.19Å; A149-D153 PolarHBondContact O-N 3.01Å; A149-V154 PolarHBondContact O-N 3.36Å |
| 150 | D | 90.3 | Very high | 85.6 | Confident | 81 Ų | 81 | 67.3 Ų | 67.3 | 43% | 0.433 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61.2 | -43.2 | 176.7 | -69.4 | -19 | 0 | 0 | 0 | 111.9 | Q146 Y147 I148 K152 D153 Y155 | Q146-D150 VanDerWaalsContact O-CG 3.29Å; Q146-D150 PolarHBondContact O-N 3.32Å; Y147-D150 PolarHBondContact O-N 3.38Å; I148-D150 VanDerWaalsContact C-N 3.32Å; D150-K152 VanDerWaalsContact C-N 3.34Å; D150-K152 PolarHBondContact O-N 3.36Å; D150-D153 PolarHBondContact O-N 3.49Å; D150-Y155 WeakPolarHBondContact CA-OH 3.19Å; D150-Y155 WeakPolarHBondContact CB-OH 3.49Å; D150-Y155 VanDerWaalsContact CG-OH 3.22Å; D150-Y155 WeakPolarHBondContact OD1-CE1 3Å; D150-Y155 PolarHBondContact OD1-OH 3.39Å |
| 151 | K | 87.2 | Confident | 85.1 | Confident | 120 Ų | 120 | 70.3 Ų | 70.3 | 52% | 0.522 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -70.9 | -29.5 | -177.2 | -165.4 | 62.8 | 171 | -161.3 | 0 | 113.6 | Y147 I148 A149 | Y147-K151 WeakPolarHBondContact O-CB 3.44Å; Y147-K151 PolarHBondContact O-N 3.03Å; I148-K151 PolarHBondContact O-N 3.08Å; A149-K151 VanDerWaalsContact C-N 3.35Å; A149-K151 PolarHBondContact O-N 2.8Å |
| 152 | K | 82.5 | Confident | 84.5 | Confident | 78 Ų | 78 | 74.9 Ų | 74.9 | 34% | 0.339 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | 4.7 | 180 | -63.9 | -68.9 | -174.1 | 179.8 | 0 | 112.6 | F126 I148 A149 D150 V154 | F126-K152 PolarHBondContact O-NZ 3.48Å; I148-K152 HydrophobicContact CG2-CG 4.33Å; I148-K152 WeakPolarHBondContact O-CB 3.47Å; I148-K152 WeakPolarHBondContact O-CG 3.5Å; I148-K152 PolarHBondContact O-N 3.15Å; A149-K152 PolarHBondContact O-N 3.19Å; D150-K152 VanDerWaalsContact C-N 3.34Å; D150-K152 PolarHBondContact O-N 3.36Å; K152-V154 HydrophobicContact CB-CG2 3.75Å; K152-V154 PolarHBondContact O-N 3.34Å |
| 153 | D | 78.4 | Confident | 83.8 | Confident | 133 Ų | 133 | 74.4 Ų | 74.4 | 71% | 0.711 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.1 | 33.5 | -172.9 | -62.5 | -48.9 | 0 | 0 | 0 | 112.4 | A149 D150 Y155 | A149-D153 PolarHBondContact O-N 3.01Å; D150-D153 PolarHBondContact O-N 3.49Å; D153-Y155 PolarHBondContact O-N 2.8Å |
| 154 | V | 70.1 | Confident | 83 | Confident | 25 Ų | 25 | 74.6 Ų | 74.6 | 15% | 0.152 | 35% | 0.351 | C | S | . | . | trans | -91.7 | 90 | 178.4 | 179 | 0 | 0 | 0 | 0 | 107.3 | L74 L76 I79 A149 K152 | L74-V154 HydrophobicContact CB-CG2 4.1Å; L74-V154 WeakPolarHBondContact O-CG1 3.3Å; L74-V154 WeakPolarHBondContact O-CG2 3.44Å; L76-V154 HydrophobicContact CD2-CG1 4.02Å; L76-V154 VanDerWaalsContact CD2-O 3.28Å; L76-V154 WeakPolarHBondContact CD2-O 3.34Å; L76-V154 HydrophobicContact CG-CG1 4.37Å; I79-V154 HydrophobicContact CD1-CB 4.2Å; I79-V154 HydrophobicContact CD1-CG1 4.19Å; I79-V154 HydrophobicContact CD1-CG2 4.4Å; A149-V154 PolarHBondContact O-N 3.36Å; K152-V154 HydrophobicContact CB-CG2 3.75Å; K152-V154 PolarHBondContact O-N 3.34Å | ||
| 155 | Y | 61.4 | Low | 82.2 | Confident | 141 Ų | 141 | 80.6 Ų | 80.6 | 55% | 0.553 | 38% | 0.379 | S | S | * | . | trans | -117.3 | 136.3 | 170.6 | -58.5 | -77.8 | 0 | 0 | 0 | 107.7 | D150 D153 | D150-Y155 WeakPolarHBondContact CA-OH 3.19Å; D150-Y155 WeakPolarHBondContact CB-OH 3.49Å; D150-Y155 VanDerWaalsContact CG-OH 3.22Å; D150-Y155 WeakPolarHBondContact OD1-CE1 3Å; D150-Y155 PolarHBondContact OD1-OH 3.39Å; D153-Y155 PolarHBondContact O-N 2.8Å | ||
| 156 | E | 57.3 | Low | 81.2 | Confident | 219 Ų | 219 | 86.1 Ų | 86.1 | 100% | 1.023 | 40% | 0.402 | S | S | * | . | trans | -65.8 | 0 | 167.1 | -69.9 | -163.7 | 174.5 | 0 | 0 | 111.5 | L76 | L76-E156 HydrophobicContact CD1-CG 4.11Š|
Retrieved 156 of 156 residues in 206.4 ms
(Link to these results)