| 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 | 30.8 | Very low | 34.9 | Very low | 241 Ų | 241 | 142.3 Ų | 142.3 | 100% | 1.187 | 81% | 0.811 | S | S | * | * | 0 | 146 | 0 | -69.3 | 160.4 | 68.7 | 0 | 0 | 107.4 | |||||
| 2 | S | 34 | Very low | 35 | Very low | 106 Ų | 106 | 143.5 Ų | 143.5 | 74% | 0.741 | 81% | 0.811 | S | S | * | * | trans | 64.9 | 121.2 | -171.4 | -71.1 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 3 | L | 34 | Very low | 35.1 | Very low | 161 Ų | 161 | 146.9 Ų | 146.9 | 84% | 0.843 | 80% | 0.804 | S | S | * | * | 72.8 | 108.9 | 67.6 | -70.3 | 157.2 | 0 | 0 | 0 | 110.1 | |||||
| 4 | A | 35 | Very low | 35.1 | Very low | 87 Ų | 87 | 150.9 Ų | 150.9 | 72% | 0.719 | 80% | 0.801 | S | S | * | * | cis | 89.8 | 113.5 | 44.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 5 | E | 39.3 | Very low | 35 | Very low | 189 Ų | 189 | 156.9 Ų | 156.9 | 88% | 0.883 | 81% | 0.808 | S | S | * | * | trans | -175.2 | 124.2 | 158.1 | -103 | 169.7 | 146.6 | 0 | 0 | 105.7 | ||||
| 6 | S | 38.6 | Very low | 35 | Very low | 117 Ų | 117 | 160.6 Ų | 160.6 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | cis | 98.2 | 97.9 | 14.8 | 89.7 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 7 | G | 36.7 | Very low | 35.6 | Very low | 68 Ų | 68 | 158.3 Ų | 158.3 | 70% | 0.701 | 81% | 0.807 | S | S | * | * | trans | 100 | 162.2 | 154 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 8 | W | 32 | Very low | 35.7 | Very low | 209 Ų | 209 | 152.6 Ų | 152.6 | 79% | 0.792 | 79% | 0.794 | S | S | * | * | cis | -163.3 | 151.3 | -5.4 | -100.4 | -0 | 0 | 0 | 0 | 109.4 | ||||
| 9 | R | 34.6 | Very low | 36 | Very low | 185 Ų | 185 | 151.8 Ų | 151.8 | 70% | 0.698 | 80% | 0.797 | S | S | * | * | trans | 42.6 | 158.7 | 137.7 | -53 | -178.1 | -135.4 | -122.8 | 12.8 | 122 | ||||
| 10 | S | 33.8 | Very low | 36.5 | Very low | 107 Ų | 107 | 150.3 Ų | 150.3 | 75% | 0.748 | 80% | 0.797 | S | S | * | * | cis | 177.7 | 161.4 | -25.2 | -83.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 11 | A | 34.9 | Very low | 36.5 | Very low | 95 Ų | 95 | 146.5 Ų | 146.5 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | trans | 79.2 | 136.3 | 157.8 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 12 | L | 35.8 | Very low | 37.1 | Very low | 157 Ų | 157 | 140.7 Ų | 140.7 | 82% | 0.822 | 77% | 0.774 | S | S | * | * | -158.8 | 120.4 | 80 | -151.2 | 73.9 | 0 | 0 | 0 | 116.9 | |||||
| 13 | R | 36.5 | Very low | 37.2 | Very low | 188 Ų | 188 | 142.2 Ų | 142.2 | 71% | 0.709 | 78% | 0.778 | S | S | * | * | trans | 48.7 | 133.6 | 139.7 | -72.3 | -174.4 | 157 | -159.9 | -1.5 | 126.5 | ||||
| 14 | R | 35.5 | Very low | 37.1 | Very low | 203 Ų | 203 | 138.8 Ų | 138.8 | 77% | 0.766 | 77% | 0.773 | S | S | * | * | trans | 76.7 | 146.4 | 140.7 | -69.3 | 171.8 | -179.8 | -140.3 | -4.8 | 116.8 | ||||
| 15 | R | 33.4 | Very low | 37.2 | Very low | 241 Ų | 241 | 137.8 Ų | 137.8 | 91% | 0.909 | 77% | 0.771 | S | S | * | * | cis | -151.4 | 150.6 | 20.1 | -155.7 | -179 | -171.5 | -148.8 | 4.7 | 112.2 | ||||
| 16 | R | 34.3 | Very low | 37.3 | Very low | 216 Ų | 216 | 134.6 Ų | 134.6 | 82% | 0.815 | 77% | 0.767 | S | S | * | * | trans | -79.2 | 179.1 | 169.7 | -127.6 | -156.5 | 171.4 | 176.5 | -1.6 | 111.2 | ||||
| 17 | P | 46.4 | Very low | 36.9 | Very low | 121 Ų | 121 | 135.2 Ų | 135.2 | 79% | 0.786 | 77% | 0.766 | S | S | * | * | cis | -140.1 | 148.3 | 32.5 | 37.6 | -16.1 | 0 | 0 | 0 | 119.1 | ||||
| 18 | G | 36.8 | Very low | 36.8 | Very low | 56 Ų | 56 | 142.9 Ų | 142.9 | 58% | 0.577 | 78% | 0.775 | S | S | * | * | 106.1 | 146 | 112.8 | 0 | 0 | 0 | 0 | 0 | 112 | |||||
| 19 | T | 41.2 | Very low | 36.8 | Very low | 137 Ų | 137 | 138.8 Ų | 138.8 | 84% | 0.84 | 78% | 0.778 | S | S | * | * | cis | -147.8 | -164.1 | 5.6 | -41.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 20 | P | 46.3 | Very low | 36.6 | Very low | 122 Ų | 122 | 135 Ų | 135 | 79% | 0.792 | 78% | 0.78 | S | S | * | * | -97 | 174.9 | -114.1 | 39.6 | -25.2 | 0 | 0 | 0 | 118.4 | |||||
| 21 | G | 37.3 | Very low | 36.4 | Very low | 70 Ų | 70 | 139.3 Ų | 139.3 | 72% | 0.722 | 79% | 0.786 | S | S | * | * | trans | -84.8 | -151.1 | -179 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 22 | P | 43.2 | Very low | 36.3 | Very low | 120 Ų | 120 | 139.7 Ų | 139.7 | 78% | 0.779 | 78% | 0.779 | S | S | * | * | cis | -122.8 | 169.4 | 37.6 | 47 | -35.3 | 0 | 0 | 0 | 112.9 | ||||
| 23 | V | 36.6 | Very low | 36.1 | Very low | 137 Ų | 137 | 141.2 Ų | 141.2 | 83% | 0.83 | 78% | 0.781 | S | S | * | * | cis | 65.4 | 127.2 | 39.2 | -173.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 24 | A | 31.4 | Very low | 35.8 | Very low | 90 Ų | 90 | 135.7 Ų | 135.7 | 74% | 0.744 | 78% | 0.783 | S | S | * | * | cis | -159.3 | 178.4 | -22.4 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 25 | G | 37.3 | Very low | 35.7 | Very low | 66 Ų | 66 | 133.9 Ų | 133.9 | 68% | 0.68 | 79% | 0.789 | S | S | * | * | trans | -68.5 | -169.8 | 159.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 26 | P | 41 | Very low | 35.4 | Very low | 122 Ų | 122 | 128 Ų | 128 | 79% | 0.792 | 78% | 0.784 | S | S | * | * | cis | -152.1 | -168.4 | 30.7 | 34.1 | -8.2 | 0 | 0 | 0 | 117.2 | ||||
| 27 | T | 30.4 | Very low | 35.6 | Very low | 130 Ų | 130 | 130 Ų | 130 | 80% | 0.798 | 79% | 0.792 | S | S | * | * | trans | 82.9 | 126.5 | 148 | -0.6 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 28 | Y | 34.6 | Very low | 35 | Very low | 229 Ų | 229 | 127.9 Ų | 127.9 | 90% | 0.898 | 79% | 0.792 | S | S | * | * | trans | -65.4 | 146.6 | 154.1 | -91.3 | -112.7 | 0 | 0 | 0 | 111.7 | ||||
| 29 | S | 30.9 | Very low | 34.9 | Very low | 122 Ų | 122 | 135 Ų | 135 | 85% | 0.853 | 81% | 0.811 | S | S | * | * | trans | -143.2 | 144.2 | 147.8 | 57.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 30 | S | 31.8 | Very low | 34.5 | Very low | 105 Ų | 105 | 132.2 Ų | 132.2 | 73% | 0.734 | 81% | 0.809 | S | S | * | * | trans | -113.1 | 169.3 | -178.3 | 51.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 31 | F | 28 | Very low | 34.2 | Very low | 199 Ų | 199 | 135.9 Ų | 135.9 | 87% | 0.873 | 82% | 0.816 | S | S | * | * | trans | 71.4 | 141.2 | 174.3 | -94.9 | -136.9 | 0 | 0 | 0 | 114.2 | ||||
| 32 | T | 33.3 | Very low | 34.1 | Very low | 103 Ų | 103 | 138.9 Ų | 138.9 | 63% | 0.632 | 82% | 0.82 | S | S | * | * | cis | -154.6 | 150.1 | 14.4 | 32.2 | 0 | 0 | 0 | 0 | 113 | ||||
| 33 | Q | 31.2 | Very low | 33.9 | Very low | 188 Ų | 188 | 139.9 Ų | 139.9 | 88% | 0.879 | 82% | 0.818 | S | S | * | * | trans | 51.2 | 127.5 | 130.7 | -164.6 | 174.2 | 3.5 | 0 | 0 | 122.1 | ||||
| 34 | G | 29.8 | Very low | 34.1 | Very low | 72 Ų | 72 | 142.6 Ų | 142.6 | 74% | 0.742 | 82% | 0.822 | S | S | * | * | trans | 159.9 | 121.5 | 159.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 35 | D | 34.1 | Very low | 34.7 | Very low | 165 Ų | 165 | 146.8 Ų | 146.8 | 88% | 0.882 | 83% | 0.826 | S | S | * | * | trans | -89.3 | 149.9 | -177.6 | -40.8 | -80.1 | 0 | 0 | 0 | 113 | ||||
| 36 | S | 28.5 | Very low | 35.1 | Very low | 118 Ų | 118 | 151.6 Ų | 151.6 | 83% | 0.825 | 83% | 0.831 | S | S | * | * | trans | 179.5 | 148.2 | 138 | -167 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 37 | W | 38.3 | Very low | 34.9 | Very low | 257 Ų | 257 | 148.1 Ų | 148.1 | 97% | 0.973 | 82% | 0.817 | S | S | * | * | trans | -91.3 | 160.2 | 166 | -68.2 | 71.8 | 0 | 0 | 0 | 110.7 | ||||
| 38 | G | 33.3 | Very low | 35.2 | Very low | 77 Ų | 77 | 147.1 Ų | 147.1 | 79% | 0.794 | 82% | 0.815 | S | S | * | * | trans | 159.7 | 116.2 | 168.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 39 | E | 35.1 | Very low | 35.6 | Very low | 206 Ų | 206 | 140.3 Ų | 140.3 | 96% | 0.963 | 79% | 0.794 | S | S | * | * | trans | -61.8 | 159.2 | -176.8 | -60.2 | 151.5 | 127.4 | 0 | 0 | 116 | ||||
| 40 | G | 31.6 | Very low | 36.2 | Very low | 78 Ų | 78 | 140.4 Ų | 140.4 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | trans | 171.2 | 103.8 | 168.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 41 | E | 40.1 | Very low | 36.8 | Very low | 199 Ų | 199 | 139.7 Ų | 139.7 | 93% | 0.93 | 77% | 0.772 | S | S | * | * | trans | -84.2 | 129.7 | 175.9 | -54.5 | 178.4 | 137 | 0 | 0 | 111.7 | ||||
| 42 | V | 35.2 | Very low | 37.6 | Very low | 133 Ų | 133 | 133 Ų | 133 | 81% | 0.806 | 75% | 0.754 | S | S | * | * | trans | -152.6 | 135.3 | 153.1 | -170.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 43 | D | 40.1 | Very low | 38 | Very low | 141 Ų | 141 | 135.1 Ų | 135.1 | 75% | 0.754 | 75% | 0.75 | S | S | * | * | trans | -2.1 | 126.9 | 167.3 | -55.3 | -45.4 | 0 | 0 | 0 | 121.8 | ||||
| 44 | E | 39.9 | Very low | 38.7 | Very low | 195 Ų | 195 | 131.9 Ų | 131.9 | 91% | 0.911 | 74% | 0.738 | S | S | * | * | trans | -143.2 | 54.9 | 144.9 | -71.9 | -159.6 | 140.1 | 0 | 0 | 111.6 | E46 | E44-E46 PolarHBondContact O-N 3.24Š| ||
| 45 | E | 44.9 | Very low | 39.1 | Very low | 178 Ų | 178 | 133.5 Ų | 133.5 | 83% | 0.832 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | 8.1 | 176.4 | -147.6 | -163.7 | 162.2 | 0 | 0 | 114.3 | ||
| 46 | E | 44.2 | Very low | 39.5 | Very low | 166 Ų | 166 | 134.7 Ų | 134.7 | 78% | 0.776 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.5 | -16 | -175 | -151 | 78.8 | -138.5 | 0 | 0 | 113.4 | E44 | E44-E46 PolarHBondContact O-N 3.24Š|
| 47 | G | 38.3 | Very low | 40 | Very low | 49 Ų | 49 | 131.7 Ų | 131.7 | 51% | 0.505 | 70% | 0.704 | S | S | . | * | H | α-helix | trans | -81.5 | -35.3 | -170.8 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 48 | C | 36 | Very low | 40.3 | Very low | 110 Ų | 110 | 127.1 Ų | 127.1 | 74% | 0.743 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -75 | -34 | -174.1 | -73.3 | 0 | 0 | 0 | 0 | 113 | Q50 A52 | C48-Q50 PolarHBondContact O-N 2.96Å; C48-A52 PolarHBondContact O-N 3.17Å |
| 49 | D | 43.7 | Very low | 40.7 | Very low | 85 Ų | 85 | 132 Ų | 132 | 46% | 0.455 | 69% | 0.693 | S | S | . | * | H | α-helix | trans | -77.6 | -23.7 | -169.9 | -143.6 | 32.9 | 0 | 0 | 0 | 112.4 | R53 | D49-R53 WeakPolarHBondContact O-CG 3.27Å; D49-R53 IonicContact OD1-NH2 3.89Å; D49-R53 IonicContact OD2-CZ 3.12Å; D49-R53 IonicContact OD2-NH1 3Å; D49-R53 PolarHBondContact OD2-NH1 3.42Å; D49-R53 IonicContact OD2-NH2 2.62Å; D49-R53 PolarHBondContact OD2-NH2 2.81Å |
| 50 | Q | 42.5 | Very low | 40.9 | Very low | 125 Ų | 125 | 126 Ų | 126 | 58% | 0.584 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -72.5 | -45.5 | 173.9 | -148.7 | 72.4 | 21.4 | 0 | 0 | 111.7 | C48 R53 D54 | C48-Q50 PolarHBondContact O-N 2.96Å; Q50-R53 PolarHBondContact O-N 2.9Å; Q50-D54 PolarHBondContact O-N 3.48Å |
| 51 | V | 44.2 | Very low | 41.3 | Very low | 89 Ų | 89 | 126.6 Ų | 126.6 | 54% | 0.539 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -69.7 | -36.7 | -177.7 | 178.9 | 0 | 0 | 0 | 0 | 111.8 | R53 D54 L55 | V51-R53 VanDerWaalsContact C-N 3.28Å; V51-R53 PolarHBondContact O-N 2.95Å; V51-D54 PolarHBondContact O-N 3.14Å; V51-L55 HydrophobicContact CG1-CD1 4.12Å; V51-L55 WeakPolarHBondContact O-CG 3.09Å; V51-L55 PolarHBondContact O-N 2.81Å; V51-L55 VanDerWaalsContact O-N 3.13Å |
| 52 | A | 44.6 | Very low | 41.5 | Very low | 60 Ų | 60 | 120.8 Ų | 120.8 | 50% | 0.496 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -65 | -30.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | C48 R56 | C48-A52 PolarHBondContact O-N 3.17Å; A52-R56 PolarHBondContact O-N 2.8Å |
| 53 | R | 42.8 | Very low | 41.7 | Very low | 147 Ų | 147 | 118.2 Ų | 118.2 | 56% | 0.555 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -74.6 | -42.4 | 175.5 | -72.5 | 175.7 | -176.3 | 119.1 | 9.9 | 112.2 | D49 Q50 V51 R56 A57 | D49-R53 WeakPolarHBondContact O-CG 3.27Å; D49-R53 IonicContact OD1-NH2 3.89Å; D49-R53 IonicContact OD2-CZ 3.12Å; D49-R53 IonicContact OD2-NH1 3Å; D49-R53 PolarHBondContact OD2-NH1 3.42Å; D49-R53 IonicContact OD2-NH2 2.62Å; D49-R53 PolarHBondContact OD2-NH2 2.81Å; Q50-R53 PolarHBondContact O-N 2.9Å; V51-R53 VanDerWaalsContact C-N 3.28Å; V51-R53 PolarHBondContact O-N 2.95Å; R53-R56 PolarHBondContact O-N 2.75Å; R53-A57 PolarHBondContact O-N 2.7Å |
| 54 | D | 45.6 | Very low | 41 | Very low | 119 Ų | 119 | 122.2 Ų | 122.2 | 64% | 0.636 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -61.9 | -46.2 | 177.3 | -110.1 | 3 | 0 | 0 | 0 | 111.9 | Q50 V51 R56 A57 E58 | Q50-D54 PolarHBondContact O-N 3.48Å; V51-D54 PolarHBondContact O-N 3.14Å; D54-R56 VanDerWaalsContact C-N 3.27Å; D54-R56 PolarHBondContact O-N 3.39Å; D54-A57 WeakPolarHBondContact O-CB 3.48Å; D54-A57 PolarHBondContact O-N 3.27Å; D54-E58 PolarHBondContact O-N 3.45Å; D54-E58 VanDerWaalsContact O-N 3.13Å |
| 55 | L | 38.7 | Very low | 40.8 | Very low | 106 Ų | 106 | 117.9 Ų | 117.9 | 56% | 0.555 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -63.4 | -31.4 | 177.2 | -70.8 | 170.5 | 0 | 0 | 0 | 112.8 | V51 F59 | V51-L55 HydrophobicContact CG1-CD1 4.12Å; V51-L55 WeakPolarHBondContact O-CG 3.09Å; V51-L55 PolarHBondContact O-N 2.81Å; V51-L55 VanDerWaalsContact O-N 3.13Å; L55-F59 WeakPolarHBondContact O-CD2 3.33Å |
| 56 | R | 41.3 | Very low | 40.2 | Very low | 191 Ų | 191 | 118 Ų | 118 | 72% | 0.721 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -75 | -29.6 | 173.3 | 179.3 | 174.4 | -84.8 | -99 | 4.1 | 112.2 | A52 R53 D54 S60 | A52-R56 PolarHBondContact O-N 2.8Å; R53-R56 PolarHBondContact O-N 2.75Å; D54-R56 VanDerWaalsContact C-N 3.27Å; D54-R56 PolarHBondContact O-N 3.39Å; R56-S60 WeakPolarHBondContact O-CB 3.43Å; R56-S60 PolarHBondContact O-N 2.92Å; R56-S60 PolarHBondContact O-OG 3.11Å |
| 57 | A | 39.3 | Very low | 39.9 | Very low | 55 Ų | 55 | 115.6 Ų | 115.6 | 46% | 0.455 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -69.2 | -46 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | R53 D54 F59 S60 A61 | R53-A57 PolarHBondContact O-N 2.7Å; D54-A57 WeakPolarHBondContact O-CB 3.48Å; D54-A57 PolarHBondContact O-N 3.27Å; A57-F59 VanDerWaalsContact C-N 3.32Å; A57-F59 PolarHBondContact O-N 3.03Å; A57-S60 PolarHBondContact O-N 3.34Å; A57-A61 PolarHBondContact O-N 2.77Å; A57-A61 VanDerWaalsContact O-N 3.16Å |
| 58 | E | 45.3 | Very low | 39.5 | Very low | 161 Ų | 161 | 124 Ų | 124 | 75% | 0.752 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -63.1 | -36.6 | 177 | -67 | -149.9 | 145.9 | 0 | 0 | 112.7 | D54 S60 | D54-E58 PolarHBondContact O-N 3.45Å; D54-E58 VanDerWaalsContact O-N 3.13Å; E58-S60 VanDerWaalsContact C-N 3.29Å; E58-S60 PolarHBondContact O-N 3.3Å |
| 59 | F | 40.8 | Very low | 39.2 | Very low | 180 Ų | 180 | 128.2 Ų | 128.2 | 79% | 0.789 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -72.6 | -17.4 | 174.2 | -91.4 | -83.8 | 0 | 0 | 0 | 114.4 | L55 A57 | L55-F59 WeakPolarHBondContact O-CD2 3.33Å; A57-F59 VanDerWaalsContact C-N 3.32Å; A57-F59 PolarHBondContact O-N 3.03Å |
| 60 | S | 40.8 | Very low | 38.4 | Very low | 79 Ų | 79 | 128.1 Ų | 128.1 | 55% | 0.552 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -92.9 | -23.3 | 180 | -56.7 | 0 | 0 | 0 | 0 | 113.1 | R56 A57 E58 G62 | R56-S60 WeakPolarHBondContact O-CB 3.43Å; R56-S60 PolarHBondContact O-N 2.92Å; R56-S60 PolarHBondContact O-OG 3.11Å; A57-S60 PolarHBondContact O-N 3.34Å; E58-S60 VanDerWaalsContact C-N 3.29Å; E58-S60 PolarHBondContact O-N 3.3Å; S60-G62 VanDerWaalsContact C-N 3.28Å; S60-G62 PolarHBondContact O-N 3.28Å |
| 61 | A | 38.8 | Very low | 38.2 | Very low | 91 Ų | 91 | 127.5 Ų | 127.5 | 75% | 0.752 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.8 | -14.8 | 177 | 0 | 0 | 0 | 0 | 0 | 114 | A57 A63 | A57-A61 PolarHBondContact O-N 2.77Å; A57-A61 VanDerWaalsContact O-N 3.16Å; A61-A63 VanDerWaalsContact C-N 3.33Å; A61-A63 PolarHBondContact O-N 2.9Å |
| 62 | G | 43.6 | Very low | 37.5 | Very low | 76 Ų | 76 | 131.5 Ų | 131.5 | 78% | 0.784 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.9 | 1.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | S60 | S60-G62 VanDerWaalsContact C-N 3.28Å; S60-G62 PolarHBondContact O-N 3.28Å |
| 63 | A | 40.1 | Very low | 37.1 | Very low | 80 Ų | 80 | 136.1 Ų | 136.1 | 66% | 0.661 | 74% | 0.736 | S | S | * | * | trans | -127.9 | 46.6 | -164.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | A61 | A61-A63 VanDerWaalsContact C-N 3.33Å; A61-A63 PolarHBondContact O-N 2.9Å | ||
| 64 | W | 26.3 | Very low | 37.8 | Very low | 225 Ų | 225 | 134.5 Ų | 134.5 | 85% | 0.852 | 75% | 0.745 | S | S | * | * | trans | -133.4 | 117.5 | 157.7 | -156.3 | -59.7 | 0 | 0 | 0 | 111.7 | ||||
| 65 | S | 35.2 | Very low | 37.8 | Very low | 104 Ų | 104 | 134 Ų | 134 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | trans | -89.9 | 117.6 | 175 | 55.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 66 | E | 31.5 | Very low | 37.5 | Very low | 179 Ų | 179 | 136.2 Ų | 136.2 | 84% | 0.836 | 76% | 0.761 | S | S | * | * | trans | -121.2 | 108 | 161.7 | -78.8 | -158.3 | 99 | 0 | 0 | 111.4 | ||||
| 67 | P | 39.4 | Very low | 37.2 | Very low | 116 Ų | 116 | 130.4 Ų | 130.4 | 75% | 0.753 | 76% | 0.76 | S | S | * | * | trans | -87.4 | 132.6 | 157.5 | 32.8 | -26.7 | 0 | 0 | 0 | 109.2 | ||||
| 68 | R | 28.3 | Very low | 36.9 | Very low | 226 Ų | 226 | 136.2 Ų | 136.2 | 85% | 0.853 | 78% | 0.784 | S | S | * | * | trans | 160.9 | 104.5 | 141.1 | -179.4 | 170.7 | -167.1 | 151.6 | -1.9 | 115.4 | ||||
| 69 | K | 30.6 | Very low | 36.4 | Very low | 199 Ų | 199 | 131.4 Ų | 131.4 | 87% | 0.865 | 78% | 0.777 | S | S | * | * | 58.5 | 111.5 | 123.7 | -163.4 | -178.8 | -172 | 178.3 | 0 | 119.3 | |||||
| 70 | G | 27.6 | Very low | 36.1 | Very low | 83 Ų | 83 | 128.9 Ų | 128.9 | 86% | 0.856 | 78% | 0.782 | S | S | * | * | trans | -167.5 | 101.2 | 161.7 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 71 | S | 36.6 | Very low | 36.4 | Very low | 111 Ų | 111 | 130.7 Ų | 130.7 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | trans | -95.4 | 145.5 | 170 | 164.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 72 | L | 31.3 | Very low | 36.3 | Very low | 173 Ų | 173 | 132.3 Ų | 132.3 | 91% | 0.906 | 79% | 0.792 | S | S | * | * | trans | -175.2 | 149.7 | 143.1 | -97.1 | 157.2 | 0 | 0 | 0 | 111 | ||||
| 73 | L | 35.9 | Very low | 36.4 | Very low | 157 Ų | 157 | 136.4 Ų | 136.4 | 82% | 0.822 | 80% | 0.795 | S | S | * | * | trans | -109.5 | -161.9 | -178.7 | -68.7 | 161.1 | 0 | 0 | 0 | 110.7 | ||||
| 74 | P | 56.7 | Low | 36.6 | Very low | 113 Ų | 113 | 138 Ų | 138 | 73% | 0.734 | 80% | 0.798 | S | S | * | * | -116.2 | -153 | -94.4 | 45.4 | -27.4 | 0 | 0 | 0 | 110.2 | |||||
| 75 | P | 45.9 | Very low | 37.2 | Very low | 109 Ų | 109 | 135.1 Ų | 135.1 | 71% | 0.708 | 80% | 0.8 | S | S | * | * | cis | -132.2 | -153.1 | 43.5 | 40.2 | -17.1 | 0 | 0 | 0 | 111.6 | ||||
| 76 | D | 32.2 | Very low | 37.4 | Very low | 153 Ų | 153 | 138 Ų | 138 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | cis | -159.1 | 168.6 | -1.8 | -141.7 | -37.9 | 0 | 0 | 0 | 111.7 | ||||
| 77 | G | 34.5 | Very low | 37.8 | Very low | 69 Ų | 69 | 140.7 Ų | 140.7 | 71% | 0.711 | 80% | 0.802 | S | S | * | * | trans | 72 | 143.6 | 166.6 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 78 | D | 33 | Very low | 37.7 | Very low | 177 Ų | 177 | 141.7 Ų | 141.7 | 95% | 0.947 | 80% | 0.801 | S | S | * | * | cis | -150.1 | 163.8 | -0.9 | -163.5 | -1.5 | 0 | 0 | 0 | 109.3 | ||||
| 79 | G | 35.8 | Very low | 38.2 | Very low | 60 Ų | 60 | 134.5 Ų | 134.5 | 62% | 0.619 | 80% | 0.797 | S | S | * | * | trans | -102.1 | 154.9 | -153 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 80 | S | 34.9 | Very low | 38.7 | Very low | 126 Ų | 126 | 131 Ų | 131 | 88% | 0.881 | 79% | 0.787 | S | S | * | * | trans | -168.6 | 136.5 | 145.5 | -85 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 81 | P | 46.1 | Very low | 39.3 | Very low | 118 Ų | 118 | 136.2 Ų | 136.2 | 77% | 0.766 | 79% | 0.786 | S | S | * | * | trans | -109.4 | 165.8 | -176 | 41.1 | -34.9 | 0 | 0 | 0 | 115.1 | ||||
| 82 | V | 35.9 | Very low | 39.8 | Very low | 124 Ų | 124 | 136.4 Ų | 136.4 | 75% | 0.752 | 79% | 0.785 | S | S | * | * | trans | 76.4 | 99.9 | 161.4 | -160.4 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 83 | L | 45.8 | Very low | 40.1 | Very low | 162 Ų | 162 | 133 Ų | 133 | 85% | 0.848 | 78% | 0.781 | S | S | * | * | -169.5 | 136.7 | 104.7 | -99.9 | 177.9 | 0 | 0 | 0 | 111.1 | |||||
| 84 | P | 44.2 | Very low | 40.4 | Very low | 113 Ų | 113 | 129.6 Ų | 129.6 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | trans | -98.2 | 103.3 | 177.6 | 34.4 | -28 | 0 | 0 | 0 | 111.8 | K86 | P84-K86 PolarHBondContact O-N 3.42Å; P84-K86 VanDerWaalsContact O-N 3.16Å | ||
| 85 | D | 39.3 | Very low | 40 | Very low | 165 Ų | 165 | 128.8 Ų | 128.8 | 88% | 0.882 | 78% | 0.779 | S | S | * | * | trans | -84.7 | 94.9 | 171.8 | -157.5 | 8.4 | 0 | 0 | 0 | 112.9 | R87 | D85-R87 PolarHBondContact O-N 2.9Š| ||
| 86 | K | 39.1 | Very low | 39.5 | Very low | 166 Ų | 166 | 126.9 Ų | 126.9 | 72% | 0.722 | 78% | 0.779 | S | S | * | * | trans | -51.1 | 108.3 | 167.2 | 169.8 | -167.1 | 177.9 | 178.5 | 0 | 112.9 | P84 | P84-K86 PolarHBondContact O-N 3.42Å; P84-K86 VanDerWaalsContact O-N 3.16Å | ||
| 87 | R | 40.2 | Very low | 40.2 | Very low | 234 Ų | 234 | 124 Ų | 124 | 88% | 0.883 | 77% | 0.77 | S | S | * | * | trans | -163.8 | 76.1 | 143.8 | -111 | 152.5 | 177.5 | 179.6 | -2.2 | 116.7 | D85 G89 | D85-R87 PolarHBondContact O-N 2.9Å; R87-G89 PolarHBondContact O-N 2.89Å | ||
| 88 | N | 37.8 | Very low | 40.5 | Very low | 137 Ų | 137 | 132.1 Ų | 132.1 | 73% | 0.733 | 78% | 0.78 | S | S | * | * | trans | 8.4 | 78.9 | 131.1 | -56.5 | 25.2 | 0 | 0 | 0 | 117.2 | I90 | N88-I90 HydrophobicContact CB-CD1 3.72Å; N88-I90 PolarHBondContact O-N 3.38Å | ||
| 89 | G | 38 | Very low | 41.2 | Very low | 76 Ų | 76 | 129 Ų | 129 | 78% | 0.784 | 77% | 0.767 | S | S | * | * | trans | -86.8 | 70.3 | 164.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | R87 F91 | R87-G89 PolarHBondContact O-N 2.89Å; G89-F91 PolarHBondContact O-N 3.39Å | ||
| 90 | I | 41.3 | Very low | 41.8 | Very low | 125 Ų | 125 | 132.9 Ų | 132.9 | 64% | 0.641 | 77% | 0.769 | S | S | * | * | trans | -77.2 | 108.3 | 172.3 | -70.5 | 75 | 0 | 0 | 0 | 108.4 | N88 | N88-I90 HydrophobicContact CB-CD1 3.72Å; N88-I90 PolarHBondContact O-N 3.38Å | ||
| 91 | F | 39.9 | Very low | 42.7 | Very low | 193 Ų | 193 | 132.2 Ų | 132.2 | 85% | 0.846 | 76% | 0.762 | S | S | * | * | trans | -133.6 | 117.1 | 151.1 | -79.7 | -72.9 | 0 | 0 | 0 | 109 | G89 A93 | G89-F91 PolarHBondContact O-N 3.39Å; F91-A93 PolarHBondContact O-N 2.87Å; F91-A93 VanDerWaalsContact O-N 3.15Å | ||
| 92 | P | 47.9 | Very low | 43.3 | Very low | 115 Ų | 115 | 133.9 Ų | 133.9 | 75% | 0.747 | 75% | 0.753 | S | S | * | * | trans | -79.4 | 97 | 176.5 | 31.7 | -31.9 | 0 | 0 | 0 | 109.7 | A94 | P92-A94 PolarHBondContact O-N 3.45Š| ||
| 93 | A | 38.5 | Very low | 44.1 | Very low | 100 Ų | 100 | 137.6 Ų | 137.6 | 83% | 0.826 | 75% | 0.753 | S | S | * | * | trans | -91.6 | 49.2 | 167 | 0 | 0 | 0 | 0 | 0 | 111.2 | F91 | F91-A93 PolarHBondContact O-N 2.87Å; F91-A93 VanDerWaalsContact O-N 3.15Å | ||
| 94 | A | 41.4 | Very low | 44.4 | Very low | 86 Ų | 86 | 138.7 Ų | 138.7 | 71% | 0.711 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65 | 151.4 | 163 | 0 | 0 | 0 | 0 | 0 | 109.6 | P92 G96 | P92-A94 PolarHBondContact O-N 3.45Å; A94-G96 PolarHBondContact O-N 2.79Å |
| 95 | A | 47.7 | Very low | 45.4 | Very low | 97 Ų | 97 | 136.6 Ų | 136.6 | 80% | 0.802 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 58.5 | 43.3 | 169.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | S97 | A95-S97 PolarHBondContact O-N 2.79Š|
| 96 | G | 36.7 | Very low | 46.4 | Very low | 68 Ų | 68 | 131 Ų | 131 | 70% | 0.701 | 71% | 0.705 | S | S | * | * | trans | -68.8 | 73.1 | 151.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | A94 R98 | A94-G96 PolarHBondContact O-N 2.79Å; G96-R98 PolarHBondContact O-N 2.8Å | ||
| 97 | S | 47.1 | Very low | 47.6 | Very low | 92 Ų | 92 | 129 Ų | 129 | 64% | 0.643 | 70% | 0.698 | S | S | * | * | trans | -60.8 | 103 | 175.2 | 48.8 | 0 | 0 | 0 | 0 | 109.3 | A95 T99 | A95-S97 PolarHBondContact O-N 2.79Å; S97-T99 PolarHBondContact O-N 3.38Å; S97-T99 PolarHBondContact O-OG1 3.48Å | ||
| 98 | R | 39.8 | Very low | 49.1 | Very low | 241 Ų | 241 | 121.2 Ų | 121.2 | 91% | 0.909 | 68% | 0.676 | S | S | * | * | trans | -73.2 | 70.9 | 171.7 | -66.7 | -175.4 | -170.9 | 160.1 | 3.3 | 109.3 | G96 Q100 | G96-R98 PolarHBondContact O-N 2.8Å; R98-Q100 PolarHBondContact O-N 3.35Å | ||
| 99 | T | 48.4 | Very low | 50.6 | Low | 110 Ų | 110 | 118.7 Ų | 118.7 | 68% | 0.675 | 66% | 0.662 | S | S | * | * | trans | -61.6 | 97 | 168.7 | 40.4 | 0 | 0 | 0 | 0 | 108.6 | S97 P101 | S97-T99 PolarHBondContact O-N 3.38Å; S97-T99 PolarHBondContact O-OG1 3.48Å; T99-P101 WeakPolarHBondContact O-CD 3.11Å | ||
| 100 | Q | 48.7 | Very low | 52.1 | Low | 143 Ų | 143 | 118.6 Ų | 118.6 | 67% | 0.668 | 65% | 0.649 | S | S | * | * | trans | -47.1 | 103 | 174.7 | -76 | -77.1 | -0.6 | 0 | 0 | 111.4 | R98 R102 | R98-Q100 PolarHBondContact O-N 3.35Å; Q100-R102 PolarHBondContact O-N 2.83Å | ||
| 101 | P | 52.9 | Low | 53.8 | Low | 111 Ų | 111 | 117.2 Ų | 117.2 | 72% | 0.721 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.3 | 69.4 | -167.3 | 36.5 | -28.7 | 0 | 0 | 0 | 110.6 | T99 | T99-P101 WeakPolarHBondContact O-CD 3.11Š|
| 102 | R | 58.3 | Low | 55.5 | Low | 154 Ų | 154 | 112 Ų | 112 | 58% | 0.581 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -178.2 | 7.7 | 156.9 | -111.7 | 168 | 156.9 | -118.1 | -3.7 | 119.3 | Q100 W104 P105 S179 | Q100-R102 PolarHBondContact O-N 2.83Å; R102-W104 VanDerWaalsContact C-N 3.33Å; R102-P105 VanDerWaalsContact O-CD 3.25Å; R102-P105 WeakPolarHBondContact O-CD 3.15Å; R102-S179 PolarHBondContact NH1-O 3Å |
| 103 | R | 53.3 | Low | 56.6 | Low | 201 Ų | 201 | 108.4 Ų | 108.4 | 76% | 0.758 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -78 | -15.8 | 174 | -67.9 | -171.5 | 179.7 | -165.2 | -1.1 | 114.4 | ||
| 104 | W | 52.2 | Low | 58.4 | Low | 185 Ų | 185 | 106.9 Ų | 106.9 | 70% | 0.701 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -62.5 | -42.4 | -176.4 | -70.1 | 88.3 | 0 | 0 | 0 | 117.9 | R102 V106 Q107 V108 | R102-W104 VanDerWaalsContact C-N 3.33Å; W104-V106 VanDerWaalsContact C-N 3.3Å; W104-V106 PolarHBondContact O-N 3.22Å; W104-Q107 PolarHBondContact O-N 3.33Å; W104-V108 HydrophobicContact CE3-CG2 4.44Å; W104-V108 WeakPolarHBondContact O-CB 3.31Å; W104-V108 WeakPolarHBondContact O-CG2 2.97Å; W104-V108 PolarHBondContact O-N 3.46Å |
| 105 | P | 64 | Low | 60.4 | Low | 70 Ų | 70 | 107.3 Ų | 107.3 | 46% | 0.455 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -65.8 | -34.4 | -173.3 | 26.4 | -33.6 | 0 | 0 | 0 | 112.3 | R102 L109 | R102-P105 VanDerWaalsContact O-CD 3.25Å; R102-P105 WeakPolarHBondContact O-CD 3.15Å; P105-L109 WeakPolarHBondContact O-CB 3.43Å; P105-L109 PolarHBondContact O-N 2.91Å |
| 106 | V | 61.4 | Low | 61.8 | Low | 48 Ų | 48 | 107.9 Ų | 107.9 | 29% | 0.291 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -58.3 | -51.4 | 174.1 | -173.3 | 0 | 0 | 0 | 0 | 111.1 | W104 S110 W172 Y176 | W104-V106 VanDerWaalsContact C-N 3.3Å; W104-V106 PolarHBondContact O-N 3.22Å; V106-S110 WeakPolarHBondContact O-CB 3.12Å; V106-S110 PolarHBondContact O-N 2.88Å; V106-W172 VanDerWaalsContact CA-CH2 3.42Å; V106-W172 VanDerWaalsContact CA-CZ2 3.46Å; V106-W172 HydrophobicContact CB-CH2 3.99Å; V106-W172 HydrophobicContact CB-CZ2 3.64Å; V106-W172 HydrophobicContact CG1-CH2 4.37Å; V106-W172 HydrophobicContact CG1-CZ2 3.53Å; V106-W172 HydrophobicContact CG2-CH2 3.8Å; V106-W172 HydrophobicContact CG2-CZ2 3.59Å; V106-Y176 HydrophobicContact CG2-CD2 3.96Å; V106-Y176 HydrophobicContact CG2-CE2 3.84Å |
| 107 | Q | 63.2 | Low | 63.8 | Low | 124 Ų | 124 | 108.5 Ų | 108.5 | 58% | 0.579 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -72.8 | -41.8 | -173.5 | -160.1 | 164.7 | 6.5 | 0 | 0 | 110.8 | W104 I111 | W104-Q107 PolarHBondContact O-N 3.33Å; Q107-I111 HydrophobicContact CG-CD1 4.19Å; Q107-I111 WeakPolarHBondContact O-CB 3.32Å; Q107-I111 WeakPolarHBondContact O-CD1 3.3Å; Q107-I111 WeakPolarHBondContact O-CG1 3.23Å; Q107-I111 PolarHBondContact O-N 2.89Å |
| 108 | V | 72.8 | Confident | 65.4 | Low | 70 Ų | 70 | 106.6 Ų | 106.6 | 42% | 0.424 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.1 | -44.7 | 176.8 | 174.1 | 0 | 0 | 0 | 0 | 111.6 | W104 I111 L112 | W104-V108 HydrophobicContact CE3-CG2 4.44Å; W104-V108 WeakPolarHBondContact O-CB 3.31Å; W104-V108 WeakPolarHBondContact O-CG2 2.97Å; W104-V108 PolarHBondContact O-N 3.46Å; V108-I111 PolarHBondContact O-N 3.35Å; V108-L112 HydrophobicContact CG1-CD1 3.98Å; V108-L112 VanDerWaalsContact O-CG 3.31Å; V108-L112 WeakPolarHBondContact O-CG 3.05Å; V108-L112 PolarHBondContact O-N 3.34Å |
| 109 | L | 69.8 | Low | 67.4 | Low | 83 Ų | 83 | 99.7 Ų | 99.7 | 44% | 0.435 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -71.5 | -36.1 | 178.8 | -162 | 76.6 | 0 | 0 | 0 | 112.3 | P105 I111 L112 C113 W172 | P105-L109 WeakPolarHBondContact O-CB 3.43Å; P105-L109 PolarHBondContact O-N 2.91Å; L109-I111 VanDerWaalsContact C-N 3.33Å; L109-I111 PolarHBondContact O-N 3.49Å; L109-L112 HydrophobicContact CD1-CD1 4.4Å; L109-L112 PolarHBondContact O-N 3.42Å; L109-C113 VanDerWaalsContact O-CB 3.3Å; L109-C113 WeakPolarHBondContact O-CB 3.21Å; L109-C113 PolarHBondContact O-N 2.88Å; L109-W172 HydrophobicContact CB-CE3 4.3Å; L109-W172 HydrophobicContact CB-CZ3 4.33Å; L109-W172 HydrophobicContact CD2-CD2 4.16Å; L109-W172 HydrophobicContact CD2-CE3 3.32Å; L109-W172 HydrophobicContact CD2-CZ3 3.94Å; L109-W172 HydrophobicContact CG-CE3 4.41Å |
| 110 | S | 69.8 | Low | 68.9 | Low | 74 Ų | 74 | 99 Ų | 99 | 52% | 0.517 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.5 | -44.4 | 172.5 | 178.4 | 0 | 0 | 0 | 0 | 111.5 | V106 C113 S114 | V106-S110 WeakPolarHBondContact O-CB 3.12Å; V106-S110 PolarHBondContact O-N 2.88Å; S110-C113 PolarHBondContact O-N 2.93Å; S110-S114 PolarHBondContact O-N 3.39Å; S110-S114 PolarHBondContact O-OG 3.39Å |
| 111 | I | 76 | Confident | 70.4 | Confident | 97 Ų | 97 | 94.8 Ų | 94.8 | 50% | 0.497 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.9 | -43.9 | 174.6 | -69.9 | 163.4 | 0 | 0 | 0 | 111.5 | Q107 V108 L109 S114 L115 | Q107-I111 HydrophobicContact CG-CD1 4.19Å; Q107-I111 WeakPolarHBondContact O-CB 3.32Å; Q107-I111 WeakPolarHBondContact O-CD1 3.3Å; Q107-I111 WeakPolarHBondContact O-CG1 3.23Å; Q107-I111 PolarHBondContact O-N 2.89Å; V108-I111 PolarHBondContact O-N 3.35Å; L109-I111 VanDerWaalsContact C-N 3.33Å; L109-I111 PolarHBondContact O-N 3.49Å; I111-S114 PolarHBondContact O-N 3.27Å; I111-S114 PolarHBondContact O-OG 2.9Å; I111-L115 VanDerWaalsContact O-CB 3.27Å; I111-L115 WeakPolarHBondContact O-CB 3.26Å; I111-L115 PolarHBondContact O-N 2.85Å |
| 112 | L | 76.2 | Confident | 71.9 | Confident | 83 Ų | 83 | 92.4 Ų | 92.4 | 44% | 0.435 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.6 | -41.1 | 176.8 | -73.4 | 168.2 | 0 | 0 | 0 | 111.8 | V108 L109 L115 L116 | V108-L112 HydrophobicContact CG1-CD1 3.98Å; V108-L112 VanDerWaalsContact O-CG 3.31Å; V108-L112 WeakPolarHBondContact O-CG 3.05Å; V108-L112 PolarHBondContact O-N 3.34Å; L109-L112 HydrophobicContact CD1-CD1 4.4Å; L109-L112 PolarHBondContact O-N 3.42Å; L112-L115 PolarHBondContact O-N 3.35Å; L112-L116 WeakPolarHBondContact O-CB 3.43Å; L112-L116 WeakPolarHBondContact O-CG 3.48Å; L112-L116 PolarHBondContact O-N 3.45Å |
| 113 | C | 71.4 | Confident | 73.1 | Confident | 40 Ų | 40 | 91.5 Ų | 91.5 | 27% | 0.27 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -66.4 | -40.8 | 177.2 | -165.8 | 0 | 0 | 0 | 0 | 111.5 | L109 S110 F117 | L109-C113 VanDerWaalsContact O-CB 3.3Å; L109-C113 WeakPolarHBondContact O-CB 3.21Å; L109-C113 PolarHBondContact O-N 2.88Å; S110-C113 PolarHBondContact O-N 2.93Å; C113-F117 VanDerWaalsContact O-CB 3.3Å; C113-F117 WeakPolarHBondContact O-CB 3.31Å; C113-F117 PolarHBondContact O-N 3.4Å |
| 114 | S | 75.6 | Confident | 74.4 | Confident | 68 Ų | 68 | 84.1 Ų | 84.1 | 48% | 0.476 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -68.3 | -35.5 | 175.1 | 68.5 | 0 | 0 | 0 | 0 | 112.3 | S110 I111 A118 | S110-S114 PolarHBondContact O-N 3.39Å; S110-S114 PolarHBondContact O-OG 3.39Å; I111-S114 PolarHBondContact O-N 3.27Å; I111-S114 PolarHBondContact O-OG 2.9Å; S114-A118 WeakPolarHBondContact O-CB 3.5Å; S114-A118 PolarHBondContact O-N 2.99Å |
| 115 | L | 82.5 | Confident | 75.9 | Confident | 95 Ų | 95 | 80.3 Ų | 80.3 | 50% | 0.497 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -67.9 | -45.4 | 176.1 | -179.3 | 62.8 | 0 | 0 | 0 | 111.6 | I111 L112 F117 A118 I119 | I111-L115 VanDerWaalsContact O-CB 3.27Å; I111-L115 WeakPolarHBondContact O-CB 3.26Å; I111-L115 PolarHBondContact O-N 2.85Å; L112-L115 PolarHBondContact O-N 3.35Å; L115-F117 VanDerWaalsContact C-N 3.34Å; L115-F117 PolarHBondContact O-N 2.86Å; L115-A118 PolarHBondContact O-N 3.41Å; L115-I119 HydrophobicContact CD1-CD1 4.14Å; L115-I119 HydrophobicContact CD1-CG1 4.46Å; L115-I119 HydrophobicContact CG-CD1 3.96Å; L115-I119 VanDerWaalsContact O-CG1 3.28Å; L115-I119 WeakPolarHBondContact O-CG1 3.28Å; L115-I119 PolarHBondContact O-N 3.47Å |
| 116 | L | 78.7 | Confident | 77 | Confident | 108 Ų | 108 | 79.2 Ų | 79.2 | 57% | 0.565 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -60.8 | -43.4 | 174 | -73.9 | 170.9 | 0 | 0 | 0 | 111.4 | L112 I119 L120 | L112-L116 WeakPolarHBondContact O-CB 3.43Å; L112-L116 WeakPolarHBondContact O-CG 3.48Å; L112-L116 PolarHBondContact O-N 3.45Å; L116-I119 PolarHBondContact O-N 3.34Å; L116-L120 WeakPolarHBondContact O-CB 3.27Å; L116-L120 VanDerWaalsContact O-CG 3.27Å; L116-L120 WeakPolarHBondContact O-CG 3.24Å; L116-L120 PolarHBondContact O-N 2.96Å |
| 117 | F | 78.4 | Confident | 77.9 | Confident | 82 Ų | 82 | 79.8 Ų | 79.8 | 36% | 0.36 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -60.4 | -44.4 | 174.4 | 178.7 | -102.5 | 0 | 0 | 0 | 112.3 | C113 L115 L120 L121 L161 | C113-F117 VanDerWaalsContact O-CB 3.3Å; C113-F117 WeakPolarHBondContact O-CB 3.31Å; C113-F117 PolarHBondContact O-N 3.4Å; L115-F117 VanDerWaalsContact C-N 3.34Å; L115-F117 PolarHBondContact O-N 2.86Å; F117-L120 PolarHBondContact O-N 2.97Å; F117-L121 HydrophobicContact CD1-CD1 3.85Å; F117-L121 HydrophobicContact CD1-CG 4.47Å; F117-L121 HydrophobicContact CE1-CD1 3.29Å; F117-L121 HydrophobicContact CE1-CG 4.16Å; F117-L121 HydrophobicContact CE2-CD1 4.27Å; F117-L121 HydrophobicContact CE2-CG 4.38Å; F117-L121 HydrophobicContact CZ-CD1 3.53Å; F117-L121 HydrophobicContact CZ-CG 4.11Å; F117-L121 WeakPolarHBondContact O-CB 3.34Å; F117-L121 WeakPolarHBondContact O-CG 3.32Å; F117-L121 PolarHBondContact O-N 3.5Å; F117-L161 HydrophobicContact CD2-CD1 4.4Å; F117-L161 HydrophobicContact CD2-CG 4.41Å; F117-L161 HydrophobicContact CE2-CD1 4.22Å; F117-L161 HydrophobicContact CE2-CD2 3.63Å; F117-L161 HydrophobicContact CE2-CG 3.82Å; F117-L161 HydrophobicContact CZ-CD2 4.15Å |
| 118 | A | 79.3 | Confident | 78.8 | Confident | 51 Ų | 51 | 74.7 Ų | 74.7 | 42% | 0.421 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -64.2 | -40 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | S114 L115 A122 | S114-A118 WeakPolarHBondContact O-CB 3.5Å; S114-A118 PolarHBondContact O-N 2.99Å; L115-A118 PolarHBondContact O-N 3.41Å; A118-A122 VanDerWaalsContact O-CB 3.23Å; A118-A122 WeakPolarHBondContact O-CB 3.16Å; A118-A122 PolarHBondContact O-N 3.48Å |
| 119 | I | 81.9 | Confident | 79.4 | Confident | 97 Ų | 97 | 78.9 Ų | 78.9 | 50% | 0.497 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -66.5 | -45.5 | 176 | -68.9 | 164.7 | 0 | 0 | 0 | 110.8 | L115 L116 A122 F123 | L115-I119 HydrophobicContact CD1-CD1 4.14Å; L115-I119 HydrophobicContact CD1-CG1 4.46Å; L115-I119 HydrophobicContact CG-CD1 3.96Å; L115-I119 VanDerWaalsContact O-CG1 3.28Å; L115-I119 WeakPolarHBondContact O-CG1 3.28Å; L115-I119 PolarHBondContact O-N 3.47Å; L116-I119 PolarHBondContact O-N 3.34Å; I119-A122 PolarHBondContact O-N 3.14Å; I119-F123 WeakPolarHBondContact O-CB 3.27Å; I119-F123 PolarHBondContact O-N 3.29Å |
| 120 | L | 80.4 | Confident | 80.2 | Confident | 96 Ų | 96 | 79.7 Ų | 79.7 | 50% | 0.503 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -62.5 | -46.4 | 177.1 | -73.2 | 168.9 | 0 | 0 | 0 | 111.3 | L116 F117 F123 L124 | L116-L120 WeakPolarHBondContact O-CB 3.27Å; L116-L120 VanDerWaalsContact O-CG 3.27Å; L116-L120 WeakPolarHBondContact O-CG 3.24Å; L116-L120 PolarHBondContact O-N 2.96Å; F117-L120 PolarHBondContact O-N 2.97Å; L120-F123 PolarHBondContact O-N 3.16Å; L120-L124 VanDerWaalsContact O-CB 3.3Å; L120-L124 WeakPolarHBondContact O-CB 3.27Å; L120-L124 WeakPolarHBondContact O-CG 3.38Å; L120-L124 PolarHBondContact O-N 3.02Å |
| 121 | L | 81.1 | Confident | 80.8 | Confident | 53 Ų | 53 | 79.7 Ų | 79.7 | 28% | 0.277 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -59.6 | -47 | 173.4 | -84 | -178 | 0 | 0 | 0 | 112 | F117 F123 L124 L125 L161 | F117-L121 HydrophobicContact CD1-CD1 3.85Å; F117-L121 HydrophobicContact CD1-CG 4.47Å; F117-L121 HydrophobicContact CE1-CD1 3.29Å; F117-L121 HydrophobicContact CE1-CG 4.16Å; F117-L121 HydrophobicContact CE2-CD1 4.27Å; F117-L121 HydrophobicContact CE2-CG 4.38Å; F117-L121 HydrophobicContact CZ-CD1 3.53Å; F117-L121 HydrophobicContact CZ-CG 4.11Å; F117-L121 WeakPolarHBondContact O-CB 3.34Å; F117-L121 WeakPolarHBondContact O-CG 3.32Å; F117-L121 PolarHBondContact O-N 3.5Å; L121-F123 VanDerWaalsContact C-N 3.32Å; L121-F123 PolarHBondContact O-N 2.97Å; L121-L124 PolarHBondContact O-N 2.92Å; L121-L125 VanDerWaalsContact O-CB 3.26Å; L121-L125 WeakPolarHBondContact O-CB 3.3Å; L121-L125 WeakPolarHBondContact O-CG 3.5Å; L121-L125 PolarHBondContact O-N 3.42Å; L121-L161 HydrophobicContact CD2-CD2 3.69Å; L121-L161 HydrophobicContact CG-CD2 4.39Å |
| 122 | A | 83.5 | Confident | 80.8 | Confident | 61 Ų | 61 | 78.3 Ų | 78.3 | 50% | 0.504 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -62.5 | -39.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | A118 I119 A126 | A118-A122 VanDerWaalsContact O-CB 3.23Å; A118-A122 WeakPolarHBondContact O-CB 3.16Å; A118-A122 PolarHBondContact O-N 3.48Å; I119-A122 PolarHBondContact O-N 3.14Å; A122-A126 VanDerWaalsContact O-CB 3.3Å; A122-A126 WeakPolarHBondContact O-CB 3.35Å; A122-A126 PolarHBondContact O-N 3.48Å |
| 123 | F | 83.8 | Confident | 81.1 | Confident | 135 Ų | 135 | 78.7 Ų | 78.7 | 59% | 0.592 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -69 | -43.2 | 176.3 | -174 | -110.6 | 0 | 0 | 0 | 112.3 | I119 L120 L121 A126 I127 | I119-F123 WeakPolarHBondContact O-CB 3.27Å; I119-F123 PolarHBondContact O-N 3.29Å; L120-F123 PolarHBondContact O-N 3.16Å; L121-F123 VanDerWaalsContact C-N 3.32Å; L121-F123 PolarHBondContact O-N 2.97Å; F123-A126 PolarHBondContact O-N 3.27Å; F123-I127 HydrophobicContact CD1-CD1 3.79Å; F123-I127 HydrophobicContact CE1-CD1 3.38Å; F123-I127 HydrophobicContact CE1-CG1 4.46Å; F123-I127 HydrophobicContact CE2-CD1 4.38Å; F123-I127 HydrophobicContact CG-CD1 4.46Å; F123-I127 HydrophobicContact CZ-CD1 3.71Å; F123-I127 HydrophobicContact CZ-CG1 4.47Å; F123-I127 WeakPolarHBondContact O-CG1 3.41Å; F123-I127 PolarHBondContact O-N 3.15Å |
| 124 | L | 80 | Confident | 81.5 | Confident | 47 Ų | 47 | 82.2 Ų | 82.2 | 25% | 0.246 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -63.7 | -41.3 | 174.6 | -73.9 | 170.2 | 0 | 0 | 0 | 112 | L120 L121 I127 A128 L157 L161 | L120-L124 VanDerWaalsContact O-CB 3.3Å; L120-L124 WeakPolarHBondContact O-CB 3.27Å; L120-L124 WeakPolarHBondContact O-CG 3.38Å; L120-L124 PolarHBondContact O-N 3.02Å; L121-L124 PolarHBondContact O-N 2.92Å; L124-I127 PolarHBondContact O-N 3.48Å; L124-A128 VanDerWaalsContact O-CB 3.27Å; L124-A128 WeakPolarHBondContact O-CB 3.35Å; L124-A128 PolarHBondContact O-N 3.33Å; L124-L157 HydrophobicContact CB-CD1 4.24Å; L124-L157 HydrophobicContact CD1-CD1 4.29Å; L124-L157 HydrophobicContact CD1-CD2 4.38Å; L124-L157 HydrophobicContact CD1-CG 4.17Å; L124-L157 HydrophobicContact CD2-CD1 4.02Å; L124-L157 HydrophobicContact CD2-CG 4.48Å; L124-L157 HydrophobicContact CG-CD1 4.42Å; L124-L161 HydrophobicContact CD1-CD1 4.22Å |
| 125 | L | 84.1 | Confident | 81.4 | Confident | 104 Ų | 104 | 81.2 Ų | 81.2 | 55% | 0.545 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -67.2 | -35.7 | 174.3 | -73.2 | 169.5 | 0 | 0 | 0 | 111.8 | L121 Y129 | L121-L125 VanDerWaalsContact O-CB 3.26Å; L121-L125 WeakPolarHBondContact O-CB 3.3Å; L121-L125 WeakPolarHBondContact O-CG 3.5Å; L121-L125 PolarHBondContact O-N 3.42Å; L125-Y129 WeakPolarHBondContact O-CB 3.33Å; L125-Y129 PolarHBondContact O-N 2.9Å |
| 126 | A | 86.5 | Confident | 80.9 | Confident | 48 Ų | 48 | 83.9 Ų | 83.9 | 40% | 0.397 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -66.6 | -42.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | A122 F123 Y129 L130 | A122-A126 VanDerWaalsContact O-CB 3.3Å; A122-A126 WeakPolarHBondContact O-CB 3.35Å; A122-A126 PolarHBondContact O-N 3.48Å; F123-A126 PolarHBondContact O-N 3.27Å; A126-Y129 PolarHBondContact O-N 2.95Å; A126-L130 WeakPolarHBondContact O-CB 3.33Å; A126-L130 WeakPolarHBondContact O-CG 3.31Å; A126-L130 PolarHBondContact O-N 3.4Å |
| 127 | I | 82.1 | Confident | 80.7 | Confident | 60 Ų | 60 | 82.4 Ų | 82.4 | 31% | 0.308 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -63.3 | -49.5 | 173.1 | -71.9 | 169.8 | 0 | 0 | 0 | 110.4 | F123 L124 Y129 L130 I131 | F123-I127 HydrophobicContact CD1-CD1 3.79Å; F123-I127 HydrophobicContact CE1-CD1 3.38Å; F123-I127 HydrophobicContact CE1-CG1 4.46Å; F123-I127 HydrophobicContact CE2-CD1 4.38Å; F123-I127 HydrophobicContact CG-CD1 4.46Å; F123-I127 HydrophobicContact CZ-CD1 3.71Å; F123-I127 HydrophobicContact CZ-CG1 4.47Å; F123-I127 WeakPolarHBondContact O-CG1 3.41Å; F123-I127 PolarHBondContact O-N 3.15Å; L124-I127 PolarHBondContact O-N 3.48Å; I127-Y129 VanDerWaalsContact C-N 3.3Å; I127-Y129 PolarHBondContact O-N 2.92Å; I127-L130 PolarHBondContact O-N 2.92Å; I127-L130 VanDerWaalsContact O-N 3.17Å; I127-I131 HydrophobicContact CG2-CD1 3.65Å; I127-I131 HydrophobicContact CG2-CG1 4.32Å; I127-I131 WeakPolarHBondContact O-CB 3.21Å; I127-I131 VanDerWaalsContact O-CG1 3.31Å; I127-I131 WeakPolarHBondContact O-CG1 3.3Å; I127-I131 PolarHBondContact O-N 2.78Å |
| 128 | A | 80.6 | Confident | 80.3 | Confident | 16 Ų | 16 | 83.6 Ų | 83.6 | 13% | 0.132 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -60.9 | -38.6 | 178 | 0 | 0 | 0 | 0 | 0 | 111.7 | L124 I131 V132 | L124-A128 VanDerWaalsContact O-CB 3.27Å; L124-A128 WeakPolarHBondContact O-CB 3.35Å; L124-A128 PolarHBondContact O-N 3.33Å; A128-I131 PolarHBondContact O-N 3.33Å; A128-V132 VanDerWaalsContact O-CB 3.31Å; A128-V132 WeakPolarHBondContact O-CB 3.44Å; A128-V132 VanDerWaalsContact O-CG2 3.24Å; A128-V132 WeakPolarHBondContact O-CG2 3.5Å; A128-V132 PolarHBondContact O-N 2.98Å |
| 129 | Y | 85.6 | Confident | 79.4 | Confident | 158 Ų | 158 | 83.2 Ų | 83.2 | 62% | 0.62 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -65.3 | -43.6 | 173.6 | 174.7 | -100.5 | 0 | 0 | 0 | 112.1 | L125 A126 I127 V132 K133 | L125-Y129 WeakPolarHBondContact O-CB 3.33Å; L125-Y129 PolarHBondContact O-N 2.9Å; A126-Y129 PolarHBondContact O-N 2.95Å; I127-Y129 VanDerWaalsContact C-N 3.3Å; I127-Y129 PolarHBondContact O-N 2.92Å; Y129-V132 PolarHBondContact O-N 3.22Å; Y129-K133 HydrophobicContact CE1-CD 4.47Å; Y129-K133 WeakPolarHBondContact O-CB 3.38Å; Y129-K133 PolarHBondContact O-N 2.95Å |
| 130 | L | 86.5 | Confident | 78.6 | Confident | 101 Ų | 101 | 86.3 Ų | 86.3 | 53% | 0.529 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -63.6 | -43.7 | 175.4 | -73.9 | 175.5 | 0 | 0 | 0 | 111.6 | A126 I127 K133 E134 | A126-L130 WeakPolarHBondContact O-CB 3.33Å; A126-L130 WeakPolarHBondContact O-CG 3.31Å; A126-L130 PolarHBondContact O-N 3.4Å; I127-L130 PolarHBondContact O-N 2.92Å; I127-L130 VanDerWaalsContact O-N 3.17Å; L130-K133 PolarHBondContact O-N 3.36Å; L130-E134 WeakPolarHBondContact O-CB 3.46Å; L130-E134 PolarHBondContact O-N 3.27Å |
| 131 | I | 81.7 | Confident | 77.8 | Confident | 73 Ų | 73 | 90.3 Ų | 90.3 | 37% | 0.374 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -59.4 | -56.6 | 174 | -67.9 | 168.6 | 0 | 0 | 0 | 109.4 | I127 A128 K133 E134 L135 | I127-I131 HydrophobicContact CG2-CD1 3.65Å; I127-I131 HydrophobicContact CG2-CG1 4.32Å; I127-I131 WeakPolarHBondContact O-CB 3.21Å; I127-I131 VanDerWaalsContact O-CG1 3.31Å; I127-I131 WeakPolarHBondContact O-CG1 3.3Å; I127-I131 PolarHBondContact O-N 2.78Å; A128-I131 PolarHBondContact O-N 3.33Å; I131-K133 VanDerWaalsContact C-N 3.28Å; I131-K133 PolarHBondContact O-N 2.97Å; I131-E134 PolarHBondContact O-N 2.91Å; I131-E134 VanDerWaalsContact O-N 3.14Å; I131-L135 HydrophobicContact CG2-CD2 4.42Å; I131-L135 WeakPolarHBondContact O-CB 3.32Å; I131-L135 PolarHBondContact O-N 2.96Å |
| 132 | V | 77.4 | Confident | 77.1 | Confident | 69 Ų | 69 | 92.5 Ų | 92.5 | 42% | 0.418 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -59.2 | -36.8 | -179.9 | 169.5 | 0 | 0 | 0 | 0 | 112 | A128 Y129 H136 | A128-V132 VanDerWaalsContact O-CB 3.31Å; A128-V132 WeakPolarHBondContact O-CB 3.44Å; A128-V132 VanDerWaalsContact O-CG2 3.24Å; A128-V132 WeakPolarHBondContact O-CG2 3.5Å; A128-V132 PolarHBondContact O-N 2.98Å; Y129-V132 PolarHBondContact O-N 3.22Å; V132-H136 WeakPolarHBondContact O-CB 3.38Å; V132-H136 PolarHBondContact O-N 3.48Å |
| 133 | K | 81.1 | Confident | 76.3 | Confident | 90 Ų | 90 | 95.9 Ų | 95.9 | 39% | 0.391 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -67.3 | -41.2 | 176.8 | -175.8 | -155.3 | 62.2 | 54.7 | 0 | 112.2 | Y129 L130 I131 | Y129-K133 HydrophobicContact CE1-CD 4.47Å; Y129-K133 WeakPolarHBondContact O-CB 3.38Å; Y129-K133 PolarHBondContact O-N 2.95Å; L130-K133 PolarHBondContact O-N 3.36Å; I131-K133 VanDerWaalsContact C-N 3.28Å; I131-K133 PolarHBondContact O-N 2.97Å |
| 134 | E | 79.9 | Confident | 75.7 | Confident | 114 Ų | 114 | 95.4 Ų | 95.4 | 53% | 0.533 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -71.1 | -47.6 | 176.3 | -150.1 | 69.6 | -175.7 | 0 | 0 | 110.4 | L130 I131 H136 A137 D138 | L130-E134 WeakPolarHBondContact O-CB 3.46Å; L130-E134 PolarHBondContact O-N 3.27Å; I131-E134 PolarHBondContact O-N 2.91Å; I131-E134 VanDerWaalsContact O-N 3.14Å; E134-H136 PolarHBondContact O-N 3.47Å; E134-A137 WeakPolarHBondContact O-CA 3.3Å; E134-A137 VanDerWaalsContact O-CB 3.27Å; E134-A137 WeakPolarHBondContact O-CB 3.29Å; E134-A137 PolarHBondContact O-N 2.96Å; E134-D138 PolarHBondContact O-N 3.35Å |
| 135 | L | 73.4 | Confident | 75.1 | Confident | 47 Ų | 47 | 98.4 Ų | 98.4 | 25% | 0.246 | 51% | 0.511 | C | S | . | . | H | α-helix | trans | -61.1 | -40.3 | 179.5 | -160.4 | 68.6 | 0 | 0 | 0 | 111.5 | I131 A137 D138 N139 I146 | I131-L135 HydrophobicContact CG2-CD2 4.42Å; I131-L135 WeakPolarHBondContact O-CB 3.32Å; I131-L135 PolarHBondContact O-N 2.96Å; L135-A137 PolarHBondContact O-N 2.98Å; L135-D138 CarbonylContact O-C 3.56Å; L135-D138 PolarHBondContact O-N 2.81Å; L135-N139 WeakPolarHBondContact O-CA 3.2Å; L135-N139 WeakPolarHBondContact O-CB 3.3Å; L135-N139 PolarHBondContact O-N 2.97Å; L135-I146 HydrophobicContact CD1-CD1 3.87Å; L135-I146 HydrophobicContact CD1-CG2 3.85Å; L135-I146 HydrophobicContact CD2-CG2 3.55Å; L135-I146 HydrophobicContact CG-CD1 4.47Å; L135-I146 HydrophobicContact CG-CG2 3.82Å |
| 136 | H | 73.8 | Confident | 74.5 | Confident | 151 Ų | 151 | 95.2 Ų | 95.2 | 70% | 0.699 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64.6 | -21.9 | 174.8 | -175.2 | -61.8 | 0 | 0 | 0 | 112.7 | V132 E134 | V132-H136 WeakPolarHBondContact O-CB 3.38Å; V132-H136 PolarHBondContact O-N 3.48Å; E134-H136 PolarHBondContact O-N 3.47Å |
| 137 | A | 74.2 | Confident | 73.8 | Confident | 77 Ų | 77 | 97.6 Ų | 97.6 | 64% | 0.636 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -76 | -32.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | E134 L135 | E134-A137 WeakPolarHBondContact O-CA 3.3Å; E134-A137 VanDerWaalsContact O-CB 3.27Å; E134-A137 WeakPolarHBondContact O-CB 3.29Å; E134-A137 PolarHBondContact O-N 2.96Å; L135-A137 PolarHBondContact O-N 2.98Å |
| 138 | D | 68.5 | Low | 73.6 | Confident | 107 Ų | 107 | 99.9 Ų | 99.9 | 57% | 0.572 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -95.4 | -27.8 | -177 | -73.7 | -29.3 | 0 | 0 | 0 | 114.8 | E134 L135 L140 K141 | E134-D138 PolarHBondContact O-N 3.35Å; L135-D138 CarbonylContact O-C 3.56Å; L135-D138 PolarHBondContact O-N 2.81Å; D138-L140 VanDerWaalsContact C-N 3.29Å; D138-L140 PolarHBondContact O-N 2.95Å; D138-K141 PolarHBondContact O-N 3.48Å |
| 139 | N | 62 | Low | 73.4 | Confident | 43 Ų | 43 | 101.4 Ų | 101.4 | 23% | 0.23 | 54% | 0.535 | C | S | . | . | G | 310 helix | trans | -73.4 | -15.1 | -169.4 | 173 | -107.9 | 0 | 0 | 0 | 113.5 | L135 K141 N142 I146 | L135-N139 WeakPolarHBondContact O-CA 3.2Å; L135-N139 WeakPolarHBondContact O-CB 3.3Å; L135-N139 PolarHBondContact O-N 2.97Å; N139-K141 PolarHBondContact O-N 3.3Å; N139-N142 PolarHBondContact ND2-O 3.42Å; N139-N142 PolarHBondContact O-N 3.02Å; N139-N142 VanDerWaalsContact O-N 3.11Å; N139-I146 HydrophobicContact CB-CD1 4.27Å |
| 140 | L | 63.7 | Low | 73 | Confident | 162 Ų | 162 | 96.3 Ų | 96.3 | 85% | 0.848 | 52% | 0.518 | S | S | * | . | G | 310 helix | trans | -56.9 | 0.5 | 169.1 | -157.5 | 79.1 | 0 | 0 | 0 | 113.9 | D138 | D138-L140 VanDerWaalsContact C-N 3.29Å; D138-L140 PolarHBondContact O-N 2.95Å |
| 141 | K | 64.8 | Low | 72.5 | Confident | 181 Ų | 181 | 97.7 Ų | 97.7 | 79% | 0.787 | 53% | 0.525 | S | S | * | . | G | 310 helix | trans | -131.4 | -12.1 | 179.6 | -69 | 174.2 | 179.7 | 166.7 | 0 | 115.1 | D138 N139 | D138-K141 PolarHBondContact O-N 3.48Å; N139-K141 PolarHBondContact O-N 3.3Å |
| 142 | N | 65.3 | Low | 72.4 | Confident | 98 Ų | 98 | 95.6 Ų | 95.6 | 52% | 0.524 | 52% | 0.522 | S | S | . | . | trans | -150.2 | 94 | -173.3 | -58.7 | -82.4 | 0 | 0 | 0 | 109.4 | N139 I146 | N139-N142 PolarHBondContact ND2-O 3.42Å; N139-N142 PolarHBondContact O-N 3.02Å; N139-N142 VanDerWaalsContact O-N 3.11Å; N142-I146 HydrophobicContact CB-CD1 4.14Å; N142-I146 WeakPolarHBondContact O-CD1 3.27Å; N142-I146 VanDerWaalsContact O-CG1 3.32Å; N142-I146 WeakPolarHBondContact O-CG1 3.29Å | ||
| 143 | E | 67.8 | Low | 72.3 | Confident | 132 Ų | 132 | 95.8 Ų | 95.8 | 62% | 0.617 | 52% | 0.517 | S | S | * | . | trans | -94.8 | -51.3 | -169.3 | -146.5 | 162.3 | 96.5 | 0 | 0 | 111.2 | I146 D147 | E143-I146 PolarHBondContact O-N 3.45Å; E143-D147 PolarHBondContact O-N 2.91Å | ||
| 144 | D | 69.8 | Low | 72 | Confident | 125 Ų | 125 | 97.6 Ų | 97.6 | 67% | 0.668 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -70 | -39.1 | -168.1 | 48.9 | -71.3 | 0 | 0 | 0 | 115.8 | I146 | D144-I146 VanDerWaalsContact C-N 3.33Å |
| 145 | V | 67.6 | Low | 71.7 | Confident | 110 Ų | 110 | 95.7 Ų | 95.7 | 67% | 0.667 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -73 | -28.8 | 177.6 | 177.9 | 0 | 0 | 0 | 0 | 111.7 | ||
| 146 | I | 72.1 | Confident | 71.7 | Confident | 37 Ų | 37 | 97 Ų | 97 | 19% | 0.19 | 53% | 0.525 | C | S | . | . | H | α-helix | trans | -78.4 | -40.9 | -170.4 | -66.3 | -167.6 | 0 | 0 | 0 | 111.6 | L135 N139 N142 E143 D144 T148 G149 L150 | L135-I146 HydrophobicContact CD1-CD1 3.87Å; L135-I146 HydrophobicContact CD1-CG2 3.85Å; L135-I146 HydrophobicContact CD2-CG2 3.55Å; L135-I146 HydrophobicContact CG-CD1 4.47Å; L135-I146 HydrophobicContact CG-CG2 3.82Å; N139-I146 HydrophobicContact CB-CD1 4.27Å; N142-I146 HydrophobicContact CB-CD1 4.14Å; N142-I146 WeakPolarHBondContact O-CD1 3.27Å; N142-I146 VanDerWaalsContact O-CG1 3.32Å; N142-I146 WeakPolarHBondContact O-CG1 3.29Å; E143-I146 PolarHBondContact O-N 3.45Å; D144-I146 VanDerWaalsContact C-N 3.33Å; I146-T148 VanDerWaalsContact C-N 3.29Å; I146-T148 PolarHBondContact O-N 2.93Å; I146-G149 PolarHBondContact O-N 3.41Å; I146-L150 PolarHBondContact O-N 3.38Å |
| 147 | D | 72.8 | Confident | 71.7 | Confident | 99 Ų | 99 | 91 Ų | 91 | 53% | 0.529 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -58.5 | -40.3 | 178.2 | -76.6 | -24.1 | 0 | 0 | 0 | 112.4 | E143 G149 L150 L151 | E143-D147 PolarHBondContact O-N 2.91Å; D147-G149 PolarHBondContact O-N 3.49Å; D147-L150 PolarHBondContact O-N 3.03Å; D147-L151 WeakPolarHBondContact O-CB 3.29Å; D147-L151 PolarHBondContact O-N 2.92Å |
| 148 | T | 77.3 | Confident | 71.5 | Confident | 107 Ų | 107 | 91.1 Ų | 91.1 | 66% | 0.656 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -62.7 | -44.2 | 178.8 | -57.5 | 0 | 0 | 0 | 0 | 111.5 | I146 L151 G152 | I146-T148 VanDerWaalsContact C-N 3.29Å; I146-T148 PolarHBondContact O-N 2.93Å; T148-L151 PolarHBondContact O-N 2.75Å; T148-G152 PolarHBondContact O-N 3.42Å; T148-G152 VanDerWaalsContact O-N 3.14Å |
| 149 | G | 75.7 | Confident | 71.8 | Confident | 48 Ų | 48 | 90 Ų | 90 | 50% | 0.495 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -66.9 | -39.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113 | I146 D147 G152 F153 | I146-G149 PolarHBondContact O-N 3.41Å; D147-G149 PolarHBondContact O-N 3.49Å; G149-G152 PolarHBondContact O-N 3.46Å; G149-F153 PolarHBondContact O-N 3.01Å |
| 150 | L | 78.1 | Confident | 72.3 | Confident | 52 Ų | 52 | 92 Ų | 92 | 27% | 0.272 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.1 | -39.7 | 177.3 | -176.5 | 61.8 | 0 | 0 | 0 | 112.1 | I146 D147 F153 W154 | I146-L150 PolarHBondContact O-N 3.38Å; D147-L150 PolarHBondContact O-N 3.03Å; L150-F153 PolarHBondContact O-N 3.35Å; L150-W154 WeakPolarHBondContact O-CB 3.5Å; L150-W154 PolarHBondContact O-N 2.7Å |
| 151 | L | 76.6 | Confident | 72.6 | Confident | 130 Ų | 130 | 85.8 Ų | 85.8 | 68% | 0.681 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -65.6 | -39.9 | 177.1 | -149.7 | 85.9 | 0 | 0 | 0 | 111.9 | D147 T148 W154 T155 | D147-L151 WeakPolarHBondContact O-CB 3.29Å; D147-L151 PolarHBondContact O-N 2.92Å; T148-L151 PolarHBondContact O-N 2.75Å; L151-W154 PolarHBondContact O-N 3.2Å; L151-T155 PolarHBondContact O-N 3.41Å; L151-T155 PolarHBondContact O-OG1 3.16Å |
| 152 | G | 78.5 | Confident | 72.7 | Confident | 29 Ų | 29 | 81 Ų | 81 | 30% | 0.299 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -63.9 | -46.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | T148 G149 W154 T155 L156 | T148-G152 PolarHBondContact O-N 3.42Å; T148-G152 VanDerWaalsContact O-N 3.14Å; G149-G152 PolarHBondContact O-N 3.46Å; G152-W154 VanDerWaalsContact C-N 3.34Å; G152-W154 PolarHBondContact O-N 3.35Å; G152-T155 PolarHBondContact O-N 3.06Å; G152-T155 PolarHBondContact O-OG1 3.39Å; G152-L156 WeakPolarHBondContact O-CB 3.22Å; G152-L156 VanDerWaalsContact O-CG 3.29Å; G152-L156 WeakPolarHBondContact O-CG 3.42Å; G152-L156 PolarHBondContact O-N 3.2Å |
| 153 | F | 74.8 | Confident | 72.8 | Confident | 73 Ų | 73 | 78 Ų | 78 | 32% | 0.32 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -57.9 | -45.3 | 174.1 | 172.3 | -99.2 | 0 | 0 | 0 | 112.1 | G149 L150 L156 L157 | G149-F153 PolarHBondContact O-N 3.01Å; L150-F153 PolarHBondContact O-N 3.35Å; F153-L156 PolarHBondContact O-N 3.31Å; F153-L157 HydrophobicContact CE1-CD1 3.79Å; F153-L157 HydrophobicContact CZ-CD1 3.81Å; F153-L157 VanDerWaalsContact O-CB 3.29Å; F153-L157 WeakPolarHBondContact O-CB 3.06Å; F153-L157 PolarHBondContact O-N 3.16Å |
| 154 | W | 75.1 | Confident | 72.9 | Confident | 127 Ų | 127 | 73.5 Ų | 73.5 | 48% | 0.481 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -63 | -43.4 | 178.5 | -101.1 | 94.1 | 0 | 0 | 0 | 113.1 | L150 L151 G152 L157 I158 | L150-W154 WeakPolarHBondContact O-CB 3.5Å; L150-W154 PolarHBondContact O-N 2.7Å; L151-W154 PolarHBondContact O-N 3.2Å; G152-W154 VanDerWaalsContact C-N 3.34Å; G152-W154 PolarHBondContact O-N 3.35Å; W154-L157 PolarHBondContact O-N 2.85Å; W154-I158 HydrophobicContact CE3-CD1 4.4Å; W154-I158 HydrophobicContact CE3-CG1 4.19Å; W154-I158 HydrophobicContact CZ3-CD1 4.27Å; W154-I158 WeakPolarHBondContact O-CG1 3.38Å; W154-I158 PolarHBondContact O-N 3.17Å |
| 155 | T | 74.6 | Confident | 72.7 | Confident | 75 Ų | 75 | 72.9 Ų | 72.9 | 46% | 0.46 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -66.5 | -43.1 | 177.9 | 42.9 | 0 | 0 | 0 | 0 | 111.7 | L151 G152 L157 I158 I159 | L151-T155 PolarHBondContact O-N 3.41Å; L151-T155 PolarHBondContact O-OG1 3.16Å; G152-T155 PolarHBondContact O-N 3.06Å; G152-T155 PolarHBondContact O-OG1 3.39Å; T155-L157 VanDerWaalsContact C-N 3.33Å; T155-L157 PolarHBondContact O-N 3.46Å; T155-I158 PolarHBondContact O-N 3.42Å; T155-I159 WeakPolarHBondContact O-CB 3.36Å; T155-I159 WeakPolarHBondContact O-CD1 3.44Å; T155-I159 VanDerWaalsContact O-CG1 3.22Å; T155-I159 WeakPolarHBondContact O-CG1 3.42Å; T155-I159 PolarHBondContact O-N 3.03Å |
| 156 | L | 72.5 | Confident | 72.6 | Confident | 73 Ų | 73 | 71 Ų | 71 | 38% | 0.382 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -60.2 | -40.3 | 173.9 | -68.4 | 175 | 0 | 0 | 0 | 112.7 | G152 F153 I159 S160 A222 | G152-L156 WeakPolarHBondContact O-CB 3.22Å; G152-L156 VanDerWaalsContact O-CG 3.29Å; G152-L156 WeakPolarHBondContact O-CG 3.42Å; G152-L156 PolarHBondContact O-N 3.2Å; F153-L156 PolarHBondContact O-N 3.31Å; L156-I159 PolarHBondContact O-N 3Å; L156-S160 VanDerWaalsContact O-CB 3.27Å; L156-S160 WeakPolarHBondContact O-CB 3.45Å; L156-S160 PolarHBondContact O-N 3.43Å; L156-A222 HydrophobicContact CD2-CB 3.65Å |
| 157 | L | 74.1 | Confident | 72.3 | Confident | 25 Ų | 25 | 70.8 Ų | 70.8 | 13% | 0.131 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -62.3 | -47.7 | 176.3 | -175.2 | 156.1 | 0 | 0 | 0 | 111.2 | L124 F153 W154 T155 S160 L161 | L124-L157 HydrophobicContact CB-CD1 4.24Å; L124-L157 HydrophobicContact CD1-CD1 4.29Å; L124-L157 HydrophobicContact CD1-CD2 4.38Å; L124-L157 HydrophobicContact CD1-CG 4.17Å; L124-L157 HydrophobicContact CD2-CD1 4.02Å; L124-L157 HydrophobicContact CD2-CG 4.48Å; L124-L157 HydrophobicContact CG-CD1 4.42Å; F153-L157 HydrophobicContact CE1-CD1 3.79Å; F153-L157 HydrophobicContact CZ-CD1 3.81Å; F153-L157 VanDerWaalsContact O-CB 3.29Å; F153-L157 WeakPolarHBondContact O-CB 3.06Å; F153-L157 PolarHBondContact O-N 3.16Å; W154-L157 PolarHBondContact O-N 2.85Å; T155-L157 VanDerWaalsContact C-N 3.33Å; T155-L157 PolarHBondContact O-N 3.46Å; L157-S160 PolarHBondContact O-N 2.96Å; L157-L161 VanDerWaalsContact O-CB 3.29Å; L157-L161 WeakPolarHBondContact O-CB 3.49Å; L157-L161 PolarHBondContact O-N 3.48Å |
| 158 | I | 71.1 | Confident | 71.8 | Confident | 80 Ų | 80 | 69.1 Ų | 69.1 | 41% | 0.41 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -65.7 | -41.3 | 178.6 | -66.1 | -64.9 | 0 | 0 | 0 | 111.7 | W154 T155 L161 T162 | W154-I158 HydrophobicContact CE3-CD1 4.4Å; W154-I158 HydrophobicContact CE3-CG1 4.19Å; W154-I158 HydrophobicContact CZ3-CD1 4.27Å; W154-I158 WeakPolarHBondContact O-CG1 3.38Å; W154-I158 PolarHBondContact O-N 3.17Å; T155-I158 PolarHBondContact O-N 3.42Å; I158-L161 PolarHBondContact O-N 2.92Å; I158-T162 HydrophobicContact CG2-CG2 4.43Å; I158-T162 WeakPolarHBondContact O-CB 3.25Å; I158-T162 WeakPolarHBondContact O-CG2 3.24Å; I158-T162 PolarHBondContact O-N 3.25Å; I158-T162 PolarHBondContact O-OG1 2.9Å |
| 159 | I | 74.7 | Confident | 71.1 | Confident | 85 Ų | 85 | 65.9 Ų | 65.9 | 44% | 0.436 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -63.1 | -46.6 | 176.7 | -69 | 164.1 | 0 | 0 | 0 | 110.5 | T155 L156 L161 T162 A163 | T155-I159 WeakPolarHBondContact O-CB 3.36Å; T155-I159 WeakPolarHBondContact O-CD1 3.44Å; T155-I159 VanDerWaalsContact O-CG1 3.22Å; T155-I159 WeakPolarHBondContact O-CG1 3.42Å; T155-I159 PolarHBondContact O-N 3.03Å; L156-I159 PolarHBondContact O-N 3Å; I159-L161 PolarHBondContact O-N 2.8Å; I159-T162 PolarHBondContact O-N 3.13Å; I159-T162 PolarHBondContact O-OG1 3.06Å; I159-T162 VanDerWaalsContact O-OG1 3.1Å; I159-A163 VanDerWaalsContact O-CB 3.24Å; I159-A163 WeakPolarHBondContact O-CB 3.43Å; I159-A163 PolarHBondContact O-N 3.25Å |
| 160 | S | 71.9 | Confident | 70.4 | Confident | 85 Ų | 85 | 69.3 Ų | 69.3 | 59% | 0.594 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -60.7 | -45.2 | 176.9 | -176.7 | 0 | 0 | 0 | 0 | 112 | L156 L157 A163 G164 | L156-S160 VanDerWaalsContact O-CB 3.27Å; L156-S160 WeakPolarHBondContact O-CB 3.45Å; L156-S160 PolarHBondContact O-N 3.43Å; L157-S160 PolarHBondContact O-N 2.96Å; S160-A163 PolarHBondContact O-N 3.37Å; S160-G164 PolarHBondContact O-N 2.62Å |
| 161 | L | 69.6 | Low | 69.5 | Low | 30 Ų | 30 | 69.1 Ų | 69.1 | 16% | 0.157 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -66.7 | -40.3 | -178.2 | -156.7 | 75.8 | 0 | 0 | 0 | 112.2 | F117 L121 L124 L157 I158 I159 F165 | F117-L161 HydrophobicContact CD2-CD1 4.4Å; F117-L161 HydrophobicContact CD2-CG 4.41Å; F117-L161 HydrophobicContact CE2-CD1 4.22Å; F117-L161 HydrophobicContact CE2-CD2 3.63Å; F117-L161 HydrophobicContact CE2-CG 3.82Å; F117-L161 HydrophobicContact CZ-CD2 4.15Å; L121-L161 HydrophobicContact CD2-CD2 3.69Å; L121-L161 HydrophobicContact CG-CD2 4.39Å; L124-L161 HydrophobicContact CD1-CD1 4.22Å; L157-L161 VanDerWaalsContact O-CB 3.29Å; L157-L161 WeakPolarHBondContact O-CB 3.49Å; L157-L161 PolarHBondContact O-N 3.48Å; I158-L161 PolarHBondContact O-N 2.92Å; I159-L161 PolarHBondContact O-N 2.8Å; L161-F165 VanDerWaalsContact O-CB 3.3Å; L161-F165 WeakPolarHBondContact O-CB 3.32Å; L161-F165 PolarHBondContact O-N 3.1Å |
| 162 | T | 66.3 | Low | 68.7 | Low | 82 Ų | 82 | 65.7 Ų | 65.7 | 50% | 0.503 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -73.6 | -37.5 | 177.6 | 51 | 0 | 0 | 0 | 0 | 112.7 | I158 I159 S166 | I158-T162 HydrophobicContact CG2-CG2 4.43Å; I158-T162 WeakPolarHBondContact O-CB 3.25Å; I158-T162 WeakPolarHBondContact O-CG2 3.24Å; I158-T162 PolarHBondContact O-N 3.25Å; I158-T162 PolarHBondContact O-OG1 2.9Å; I159-T162 PolarHBondContact O-N 3.13Å; I159-T162 PolarHBondContact O-OG1 3.06Å; I159-T162 VanDerWaalsContact O-OG1 3.1Å; T162-S166 WeakPolarHBondContact O-CB 3.36Å; T162-S166 PolarHBondContact O-N 2.92Å; T162-S166 PolarHBondContact O-OG 3.3Å |
| 163 | A | 68.2 | Low | 67.5 | Low | 35 Ų | 35 | 67.2 Ų | 67.2 | 29% | 0.289 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -64.5 | -45 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112 | I159 S160 S166 C167 | I159-A163 VanDerWaalsContact O-CB 3.24Å; I159-A163 WeakPolarHBondContact O-CB 3.43Å; I159-A163 PolarHBondContact O-N 3.25Å; S160-A163 PolarHBondContact O-N 3.37Å; A163-S166 PolarHBondContact O-OG 3.03Å; A163-C167 WeakPolarHBondContact O-CB 3.43Å; A163-C167 PolarHBondContact O-N 2.98Å |
| 164 | G | 69.3 | Low | 66.8 | Low | 36 Ų | 36 | 67 Ų | 67 | 37% | 0.371 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -62.3 | -46.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | S160 C167 C168 | S160-G164 PolarHBondContact O-N 2.62Å; G164-C167 PolarHBondContact O-N 2.78Å; G164-C168 PolarHBondContact O-N 3.37Å; G164-C168 PolarHBondContact O-SG 2.94Å |
| 165 | F | 66.4 | Low | 66.1 | Low | 113 Ų | 113 | 64.5 Ų | 64.5 | 50% | 0.496 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -64.3 | -46.3 | 178.8 | 179.3 | -102 | 0 | 0 | 0 | 112.8 | L161 C167 C168 S169 | L161-F165 VanDerWaalsContact O-CB 3.3Å; L161-F165 WeakPolarHBondContact O-CB 3.32Å; L161-F165 PolarHBondContact O-N 3.1Å; F165-C167 VanDerWaalsContact C-N 3.32Å; F165-C167 PolarHBondContact O-N 3.34Å; F165-C168 PolarHBondContact O-N 2.8Å; F165-S169 WeakPolarHBondContact CE1-OG 3.46Å; F165-S169 WeakPolarHBondContact CZ-OG 3.32Å; F165-S169 PolarHBondContact O-N 3.48Å; F165-S169 PolarHBondContact O-OG 3.49Å |
| 166 | S | 65.9 | Low | 65.1 | Low | 69 Ų | 69 | 65.5 Ų | 65.5 | 48% | 0.483 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.7 | -39.7 | 177.4 | 54.6 | 0 | 0 | 0 | 0 | 112 | T162 A163 S169 F170 | T162-S166 WeakPolarHBondContact O-CB 3.36Å; T162-S166 PolarHBondContact O-N 2.92Å; T162-S166 PolarHBondContact O-OG 3.3Å; A163-S166 PolarHBondContact O-OG 3.03Å; S166-S169 PolarHBondContact O-N 3.47Å; S166-F170 WeakPolarHBondContact O-CB 3.35Å; S166-F170 PolarHBondContact O-N 2.74Å |
| 167 | C | 64.6 | Low | 64 | Low | 33 Ų | 33 | 68.8 Ų | 68.8 | 22% | 0.223 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -60.3 | -45.5 | 172.1 | -178.8 | 0 | 0 | 0 | 0 | 112.5 | A163 G164 F165 S171 I211 | A163-C167 WeakPolarHBondContact O-CB 3.43Å; A163-C167 PolarHBondContact O-N 2.98Å; G164-C167 PolarHBondContact O-N 2.78Å; F165-C167 VanDerWaalsContact C-N 3.32Å; F165-C167 PolarHBondContact O-N 3.34Å; C167-S171 WeakPolarHBondContact O-CB 3.37Å; C167-S171 PolarHBondContact O-N 3.43Å; C167-S171 PolarHBondContact O-OG 2.93Å; C167-I211 VanDerWaalsContact SG-CG2 3.54Å |
| 168 | C | 63.7 | Low | 62.9 | Low | 64 Ų | 64 | 74.1 Ų | 74.1 | 43% | 0.432 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -64.3 | -46.6 | 177.1 | -71.3 | 0 | 0 | 0 | 0 | 112 | G164 F165 F170 S171 W172 | G164-C168 PolarHBondContact O-N 3.37Å; G164-C168 PolarHBondContact O-SG 2.94Å; F165-C168 PolarHBondContact O-N 2.8Å; C168-F170 PolarHBondContact O-N 3.36Å; C168-S171 PolarHBondContact O-N 2.98Å; C168-W172 WeakPolarHBondContact O-CB 3.3Å; C168-W172 PolarHBondContact O-N 2.9Å |
| 169 | S | 61.9 | Low | 62 | Low | 39 Ų | 39 | 72.3 Ų | 72.3 | 27% | 0.273 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -64.4 | -38.1 | 177.7 | -60.9 | 0 | 0 | 0 | 0 | 112.6 | F165 S166 T173 | F165-S169 WeakPolarHBondContact CE1-OG 3.46Å; F165-S169 WeakPolarHBondContact CZ-OG 3.32Å; F165-S169 PolarHBondContact O-N 3.48Å; F165-S169 PolarHBondContact O-OG 3.49Å; S166-S169 PolarHBondContact O-N 3.47Å; S169-T173 WeakPolarHBondContact O-CB 3.5Å; S169-T173 PolarHBondContact O-N 2.9Å; S169-T173 PolarHBondContact O-OG1 2.82Å |
| 170 | F | 60.4 | Low | 60.7 | Low | 120 Ų | 120 | 74 Ų | 74 | 53% | 0.526 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -68.8 | -47.3 | 176.5 | -176.2 | -103.3 | 0 | 0 | 0 | 111.6 | S166 C168 W172 T173 V174 | S166-F170 WeakPolarHBondContact O-CB 3.35Å; S166-F170 PolarHBondContact O-N 2.74Å; C168-F170 PolarHBondContact O-N 3.36Å; F170-W172 VanDerWaalsContact C-N 3.29Å; F170-W172 PolarHBondContact O-N 2.86Å; F170-T173 PolarHBondContact O-N 3.48Å; F170-T173 VanDerWaalsContact O-N 3.09Å; F170-V174 HydrophobicContact CD1-CG2 4.31Å; F170-V174 HydrophobicContact CE1-CG2 3.91Å; F170-V174 HydrophobicContact CE2-CG2 4.16Å; F170-V174 HydrophobicContact CZ-CG2 3.83Å; F170-V174 WeakPolarHBondContact O-CG2 3.33Å; F170-V174 PolarHBondContact O-N 2.94Å |
| 171 | S | 58.7 | Low | 59.6 | Low | 49 Ų | 49 | 78.1 Ų | 78.1 | 34% | 0.343 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -56.7 | -45.2 | 175.1 | -57 | 0 | 0 | 0 | 0 | 110.9 | C167 C168 V174 T175 | C167-S171 WeakPolarHBondContact O-CB 3.37Å; C167-S171 PolarHBondContact O-N 3.43Å; C167-S171 PolarHBondContact O-OG 2.93Å; C168-S171 PolarHBondContact O-N 2.98Å; S171-V174 PolarHBondContact O-N 2.7Å; S171-T175 WeakPolarHBondContact O-CB 3.18Å; S171-T175 PolarHBondContact O-N 3.09Å; S171-T175 PolarHBondContact O-OG1 2.9Å |
| 172 | W | 60.7 | Low | 58.4 | Low | 58 Ų | 58 | 81.5 Ų | 81.5 | 22% | 0.22 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -59.5 | -47.7 | 173.5 | 171.1 | -109 | 0 | 0 | 0 | 112.6 | V106 L109 C168 F170 V174 T175 Y176 | V106-W172 VanDerWaalsContact CA-CH2 3.42Å; V106-W172 VanDerWaalsContact CA-CZ2 3.46Å; V106-W172 HydrophobicContact CB-CH2 3.99Å; V106-W172 HydrophobicContact CB-CZ2 3.64Å; V106-W172 HydrophobicContact CG1-CH2 4.37Å; V106-W172 HydrophobicContact CG1-CZ2 3.53Å; V106-W172 HydrophobicContact CG2-CH2 3.8Å; V106-W172 HydrophobicContact CG2-CZ2 3.59Å; L109-W172 HydrophobicContact CB-CE3 4.3Å; L109-W172 HydrophobicContact CB-CZ3 4.33Å; L109-W172 HydrophobicContact CD2-CD2 4.16Å; L109-W172 HydrophobicContact CD2-CE3 3.32Å; L109-W172 HydrophobicContact CD2-CZ3 3.94Å; L109-W172 HydrophobicContact CG-CE3 4.41Å; C168-W172 WeakPolarHBondContact O-CB 3.3Å; C168-W172 PolarHBondContact O-N 2.9Å; F170-W172 VanDerWaalsContact C-N 3.29Å; F170-W172 PolarHBondContact O-N 2.86Å; W172-V174 VanDerWaalsContact C-N 3.34Å; W172-V174 PolarHBondContact O-N 3.33Å; W172-T175 PolarHBondContact O-N 3.37Å; W172-Y176 HydrophobicContact CH2-CD2 4.25Å; W172-Y176 AromaticContact CZ2-CD2 3.67Å; W172-Y176 HydrophobicContact CZ2-CD2 3.67Å; W172-Y176 HydrophobicContact CZ2-CG 4.05Å; W172-Y176 VanDerWaalsContact O-CB 3.25Å; W172-Y176 WeakPolarHBondContact O-CB 3.35Å; W172-Y176 PolarHBondContact O-N 2.96Å |
| 173 | T | 53.8 | Low | 57.5 | Low | 60 Ų | 60 | 80.7 Ų | 80.7 | 37% | 0.368 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -61.2 | -43.6 | -178.5 | -59.6 | 0 | 0 | 0 | 0 | 111.1 | S169 F170 Y176 F177 | S169-T173 WeakPolarHBondContact O-CB 3.5Å; S169-T173 PolarHBondContact O-N 2.9Å; S169-T173 PolarHBondContact O-OG1 2.82Å; F170-T173 PolarHBondContact O-N 3.48Å; F170-T173 VanDerWaalsContact O-N 3.09Å; T173-Y176 WeakPolarHBondContact O-CB 3.44Å; T173-Y176 PolarHBondContact O-N 3.45Å; T173-F177 HydrophobicContact CG2-CD2 3.78Å; T173-F177 HydrophobicContact CG2-CE2 3.65Å; T173-F177 WeakPolarHBondContact O-CD2 3.25Å; T173-F177 PolarHBondContact O-N 3.23Å |
| 174 | V | 59.2 | Low | 56.4 | Low | 69 Ų | 69 | 86.5 Ų | 86.5 | 42% | 0.418 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -67.1 | -44.2 | 176.4 | 176.6 | 0 | 0 | 0 | 0 | 111.4 | F170 S171 W172 Y176 F177 D178 | F170-V174 HydrophobicContact CD1-CG2 4.31Å; F170-V174 HydrophobicContact CE1-CG2 3.91Å; F170-V174 HydrophobicContact CE2-CG2 4.16Å; F170-V174 HydrophobicContact CZ-CG2 3.83Å; F170-V174 WeakPolarHBondContact O-CG2 3.33Å; F170-V174 PolarHBondContact O-N 2.94Å; S171-V174 PolarHBondContact O-N 2.7Å; W172-V174 VanDerWaalsContact C-N 3.34Å; W172-V174 PolarHBondContact O-N 3.33Å; V174-Y176 VanDerWaalsContact C-N 3.27Å; V174-Y176 PolarHBondContact O-N 2.94Å; V174-F177 PolarHBondContact O-N 3.27Å; V174-D178 WeakPolarHBondContact O-CB 3.2Å; V174-D178 PolarHBondContact O-N 3.27Å |
| 175 | T | 60.2 | Low | 54.7 | Low | 75 Ų | 75 | 94.8 Ų | 94.8 | 46% | 0.46 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.1 | -33.2 | 174.4 | -57.3 | 0 | 0 | 0 | 0 | 112.5 | S171 W172 S179 | S171-T175 WeakPolarHBondContact O-CB 3.18Å; S171-T175 PolarHBondContact O-N 3.09Å; S171-T175 PolarHBondContact O-OG1 2.9Å; W172-T175 PolarHBondContact O-N 3.37Å; T175-S179 WeakPolarHBondContact O-CB 3.48Å; T175-S179 PolarHBondContact O-N 2.91Å; T175-S179 PolarHBondContact O-OG 3.42Å |
| 176 | Y | 54 | Low | 54.3 | Low | 96 Ų | 96 | 93.6 Ų | 93.6 | 38% | 0.376 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -68.4 | -43.1 | 174.8 | 179.5 | -108.5 | 0 | 0 | 0 | 111.5 | V106 W172 T173 V174 S179 F180 | V106-Y176 HydrophobicContact CG2-CD2 3.96Å; V106-Y176 HydrophobicContact CG2-CE2 3.84Å; W172-Y176 HydrophobicContact CH2-CD2 4.25Å; W172-Y176 AromaticContact CZ2-CD2 3.67Å; W172-Y176 HydrophobicContact CZ2-CD2 3.67Å; W172-Y176 HydrophobicContact CZ2-CG 4.05Å; W172-Y176 VanDerWaalsContact O-CB 3.25Å; W172-Y176 WeakPolarHBondContact O-CB 3.35Å; W172-Y176 PolarHBondContact O-N 2.96Å; T173-Y176 WeakPolarHBondContact O-CB 3.44Å; T173-Y176 PolarHBondContact O-N 3.45Å; V174-Y176 VanDerWaalsContact C-N 3.27Å; V174-Y176 PolarHBondContact O-N 2.94Å; Y176-S179 PolarHBondContact O-N 3.5Å; Y176-F180 HydrophobicContact CD1-CE2 4.01Å; Y176-F180 AromaticContact CE1-CE2 3.6Å; Y176-F180 HydrophobicContact CE1-CE2 3.6Å; Y176-F180 HydrophobicContact CE1-CZ 4.14Å; Y176-F180 HydrophobicContact CE2-CE2 4.24Å; Y176-F180 AromaticContact CZ-CE2 3.71Å; Y176-F180 AromaticContact CZ-CZ 3.9Å; Y176-F180 WeakPolarHBondContact O-CD2 3.34Å |
| 177 | F | 50.5 | Low | 53.1 | Low | 142 Ų | 142 | 95.6 Ų | 95.6 | 62% | 0.623 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -66.6 | -41.7 | 173.4 | -81.7 | -64.9 | 0 | 0 | 0 | 113 | T173 V174 S179 F180 | T173-F177 HydrophobicContact CG2-CD2 3.78Å; T173-F177 HydrophobicContact CG2-CE2 3.65Å; T173-F177 WeakPolarHBondContact O-CD2 3.25Å; T173-F177 PolarHBondContact O-N 3.23Å; V174-F177 PolarHBondContact O-N 3.27Å; F177-S179 VanDerWaalsContact C-N 3.27Å; F177-S179 PolarHBondContact O-N 2.92Å; F177-F180 WeakPolarHBondContact O-CB 3.44Å; F177-F180 PolarHBondContact O-N 3.25Å |
| 178 | D | 50.6 | Low | 51.8 | Low | 136 Ų | 136 | 100.6 Ų | 100.6 | 73% | 0.727 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -67.4 | -28.1 | 174.9 | -167.3 | 60.7 | 0 | 0 | 0 | 112.1 | V174 F180 | V174-D178 WeakPolarHBondContact O-CB 3.2Å; V174-D178 PolarHBondContact O-N 3.27Å; D178-F180 PolarHBondContact O-N 3.13Å |
| 179 | S | 50.7 | Low | 51.4 | Low | 43 Ų | 43 | 102.7 Ų | 102.7 | 30% | 0.301 | 56% | 0.563 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.3 | -4 | 173.6 | -68.6 | 0 | 0 | 0 | 0 | 114.4 | R102 T175 Y176 F177 E181 | R102-S179 PolarHBondContact NH1-O 3Å; T175-S179 WeakPolarHBondContact O-CB 3.48Å; T175-S179 PolarHBondContact O-N 2.91Å; T175-S179 PolarHBondContact O-OG 3.42Å; Y176-S179 PolarHBondContact O-N 3.5Å; F177-S179 VanDerWaalsContact C-N 3.27Å; F177-S179 PolarHBondContact O-N 2.92Å; S179-E181 PolarHBondContact O-N 3.2Å |
| 180 | F | 47.7 | Very low | 51 | Low | 120 Ų | 120 | 109 Ų | 109 | 53% | 0.526 | 59% | 0.593 | S | S | . | * | trans | -78.6 | 51.8 | 173.3 | -83.7 | -81.8 | 0 | 0 | 0 | 113.8 | Y176 F177 D178 P182 | Y176-F180 HydrophobicContact CD1-CE2 4.01Å; Y176-F180 AromaticContact CE1-CE2 3.6Å; Y176-F180 HydrophobicContact CE1-CE2 3.6Å; Y176-F180 HydrophobicContact CE1-CZ 4.14Å; Y176-F180 HydrophobicContact CE2-CE2 4.24Å; Y176-F180 AromaticContact CZ-CE2 3.71Å; Y176-F180 AromaticContact CZ-CZ 3.9Å; Y176-F180 WeakPolarHBondContact O-CD2 3.34Å; F177-F180 WeakPolarHBondContact O-CB 3.44Å; F177-F180 PolarHBondContact O-N 3.25Å; D178-F180 PolarHBondContact O-N 3.13Å; F180-P182 VanDerWaalsContact O-CD 3.25Å; F180-P182 WeakPolarHBondContact O-CD 3.38Å | ||
| 181 | E | 49.1 | Very low | 50 | Low | 171 Ų | 171 | 108.9 Ų | 108.9 | 80% | 0.799 | 61% | 0.607 | S | S | * | * | trans | -105.1 | 78.3 | 145.1 | -71.4 | -171.5 | 135.8 | 0 | 0 | 109.6 | S179 G183 | S179-E181 PolarHBondContact O-N 3.2Å; E181-G183 PolarHBondContact O-N 3.29Å | ||
| 182 | P | 43.8 | Very low | 49.4 | Very low | 102 Ų | 102 | 112.4 Ų | 112.4 | 66% | 0.662 | 63% | 0.628 | S | S | * | * | trans | -71.1 | 83.3 | 161 | 32.2 | -32.2 | 0 | 0 | 0 | 108.2 | F180 M184 | F180-P182 VanDerWaalsContact O-CD 3.25Å; F180-P182 WeakPolarHBondContact O-CD 3.38Å; P182-M184 PolarHBondContact O-N 3.42Å | ||
| 183 | G | 47.6 | Very low | 48.8 | Very low | 64 Ų | 64 | 114.1 Ų | 114.1 | 66% | 0.66 | 66% | 0.655 | S | S | * | * | trans | -60.3 | 105.7 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | E181 | E181-G183 PolarHBondContact O-N 3.29Š| ||
| 184 | M | 45 | Very low | 48.5 | Very low | 158 Ų | 158 | 122.7 Ų | 122.7 | 78% | 0.778 | 68% | 0.68 | S | S | * | * | trans | 70.7 | 137 | 151.2 | -53.9 | -169.6 | -61.4 | 0 | 0 | 120.5 | P182 | P182-M184 PolarHBondContact O-N 3.42Š| ||
| 185 | F | 34.6 | Very low | 48.1 | Very low | 210 Ų | 210 | 127.8 Ų | 127.8 | 92% | 0.921 | 70% | 0.697 | S | S | * | * | -120 | 129.3 | 122.5 | -114.2 | -88.6 | 0 | 0 | 0 | 109.4 | |||||
| 186 | P | 56.8 | Low | 47.5 | Very low | 87 Ų | 87 | 134 Ų | 134 | 57% | 0.565 | 72% | 0.718 | S | S | * | * | trans | -95.4 | 169 | 178.4 | 40 | -36.4 | 0 | 0 | 0 | 111.6 | ||||
| 187 | P | 41 | Very low | 47.3 | Very low | 111 Ų | 111 | 138.9 Ų | 138.9 | 72% | 0.721 | 74% | 0.741 | S | S | * | * | -141 | 167.1 | 92.4 | 39.1 | -26.6 | 0 | 0 | 0 | 116.1 | |||||
| 188 | T | 37 | Very low | 47.1 | Very low | 138 Ų | 138 | 138.6 Ų | 138.6 | 85% | 0.847 | 75% | 0.745 | S | S | * | * | trans | 74.6 | 151.2 | 162.6 | 37 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 189 | P | 56.2 | Low | 46.9 | Very low | 109 Ų | 109 | 136.2 Ų | 136.2 | 71% | 0.708 | 74% | 0.736 | S | S | * | * | trans | -115.1 | 176.6 | -141 | 41.1 | -31.1 | 0 | 0 | 0 | 114.6 | ||||
| 190 | L | 53 | Low | 46.8 | Very low | 171 Ų | 171 | 138.5 Ų | 138.5 | 90% | 0.895 | 77% | 0.766 | S | S | * | * | trans | 81.7 | 83.3 | 176.5 | -51.7 | 168.9 | 0 | 0 | 0 | 116.1 | ||||
| 191 | S | 39.7 | Very low | 46.7 | Very low | 118 Ų | 118 | 140.1 Ų | 140.1 | 83% | 0.825 | 78% | 0.775 | S | S | * | * | -164.5 | 148.7 | 117.1 | -133.2 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 192 | P | 47.2 | Very low | 46.7 | Very low | 122 Ų | 122 | 135.3 Ų | 135.3 | 79% | 0.792 | 76% | 0.76 | S | S | * | * | trans | -97.8 | 106 | -171.6 | 35.5 | -30.1 | 0 | 0 | 0 | 113.2 | ||||
| 193 | A | 46.9 | Very low | 46.9 | Very low | 94 Ų | 94 | 136.9 Ų | 136.9 | 78% | 0.777 | 76% | 0.757 | S | S | * | * | trans | -119.2 | 32.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | F195 | A193-F195 PolarHBondContact O-N 3.4Š| ||
| 194 | R | 48.6 | Very low | 47.1 | Very low | 240 Ų | 240 | 140.5 Ų | 140.5 | 91% | 0.906 | 76% | 0.756 | S | S | * | * | trans | -70.5 | 33.9 | 174.4 | -74 | -159.4 | -89.1 | 178.5 | -8.6 | 113.7 | ||||
| 195 | F | 49.1 | Very low | 47.2 | Very low | 177 Ų | 177 | 138.9 Ų | 138.9 | 78% | 0.776 | 75% | 0.748 | S | S | * | * | trans | -133.2 | 55.7 | -171.4 | -103.2 | -81.3 | 0 | 0 | 0 | 113.6 | A193 | A193-F195 PolarHBondContact O-N 3.4Š| ||
| 196 | K | 48.5 | Very low | 48.1 | Very low | 205 Ų | 205 | 131.1 Ų | 131.1 | 89% | 0.891 | 73% | 0.727 | S | S | * | * | trans | -131 | 22.8 | 152.6 | -130.2 | 173.8 | -179.6 | -178.4 | 0 | 114.6 | L198 | K196-L198 VanDerWaalsContact C-N 3.33Å; K196-L198 PolarHBondContact O-N 3.24Å; K196-L198 VanDerWaalsContact O-N 3.12Å | ||
| 197 | K | 50.9 | Low | 48 | Very low | 198 Ų | 198 | 132.7 Ų | 132.7 | 86% | 0.861 | 72% | 0.723 | S | S | * | * | trans | -72.9 | 86.1 | 153.6 | -82.4 | -171.3 | 171.7 | -172.8 | 0 | 108.8 | ||||
| 198 | L | 46.1 | Very low | 48.6 | Very low | 136 Ų | 136 | 129.4 Ų | 129.4 | 71% | 0.712 | 70% | 0.703 | S | S | * | * | trans | -161.9 | 46 | 174.8 | -112.3 | 157.9 | 0 | 0 | 0 | 115 | K196 | K196-L198 VanDerWaalsContact C-N 3.33Å; K196-L198 PolarHBondContact O-N 3.24Å; K196-L198 VanDerWaalsContact O-N 3.12Å | ||
| 199 | T | 45 | Very low | 49.4 | Very low | 87 Ų | 87 | 129.4 Ų | 129.4 | 53% | 0.534 | 70% | 0.695 | S | S | . | * | trans | -169.2 | 31 | 156.3 | 32 | 0 | 0 | 0 | 0 | 113.5 | H201 S202 | T199-H201 PolarHBondContact O-N 3Å; T199-S202 PolarHBondContact O-N 2.92Å; T199-S202 PolarHBondContact O-OG 3.49Å | ||
| 200 | G | 49.1 | Very low | 49.5 | Very low | 90 Ų | 90 | 127.4 Ų | 127.4 | 93% | 0.928 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.7 | 32.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 201 | H | 46.7 | Very low | 49.6 | Very low | 154 Ų | 154 | 122 Ų | 122 | 71% | 0.713 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -144.1 | -24.4 | 175.2 | -163.4 | -69.6 | 0 | 0 | 0 | 112.9 | T199 | T199-H201 PolarHBondContact O-N 3Š|
| 202 | S | 47.5 | Very low | 50.6 | Low | 70 Ų | 70 | 121.4 Ų | 121.4 | 49% | 0.49 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -90.2 | -29.3 | 175.8 | 51.1 | 0 | 0 | 0 | 0 | 113 | T199 H204 M205 | T199-S202 PolarHBondContact O-N 2.92Å; T199-S202 PolarHBondContact O-OG 3.49Å; S202-H204 PolarHBondContact O-N 3.01Å; S202-M205 PolarHBondContact O-N 3.24Å |
| 203 | F | 48.8 | Very low | 51.3 | Low | 136 Ų | 136 | 121.2 Ų | 121.2 | 60% | 0.596 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -71.3 | 7.8 | 179.7 | -111.4 | -91.6 | 0 | 0 | 0 | 115.4 | Y207 | F203-Y207 AromaticContact CD1-CE2 3.67Å; F203-Y207 HydrophobicContact CD1-CE2 3.67Å; F203-Y207 HydrophobicContact CE1-CE2 4.09Å; F203-Y207 WeakPolarHBondContact CE1-OH 3.5Å; F203-Y207 HydrophobicContact CG-CE2 4.32Å; F203-Y207 WeakPolarHBondContact O-CD2 3.17Å; F203-Y207 VanDerWaalsContact O-CE2 3.28Å; F203-Y207 WeakPolarHBondContact O-CE2 3.34Å |
| 204 | H | 51.6 | Low | 52 | Low | 140 Ų | 140 | 118.8 Ų | 118.8 | 65% | 0.648 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -123.7 | -31.1 | 172.8 | -156.6 | -64.3 | 0 | 0 | 0 | 112.4 | S202 S208 | S202-H204 PolarHBondContact O-N 3.01Å; H204-S208 PolarHBondContact O-N 2.98Å; H204-S208 PolarHBondContact O-OG 3.29Å |
| 205 | M | 47 | Very low | 52.6 | Low | 123 Ų | 123 | 110.9 Ų | 110.9 | 61% | 0.606 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -73 | -38.2 | -178.5 | -72.5 | -68.9 | -87.6 | 0 | 0 | 113.3 | S202 Y207 M209 | S202-M205 PolarHBondContact O-N 3.24Å; M205-Y207 VanDerWaalsContact C-N 3.34Å; M205-Y207 PolarHBondContact O-N 3.18Å; M205-M209 WeakPolarHBondContact O-CB 3.5Å; M205-M209 WeakPolarHBondContact O-CG 3.25Å; M205-M209 PolarHBondContact O-N 2.86Å |
| 206 | G | 53.8 | Low | 53.2 | Low | 47 Ų | 47 | 106 Ų | 106 | 49% | 0.485 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -65.8 | -36.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | M209 A210 | G206-M209 PolarHBondContact O-N 2.84Å; G206-A210 PolarHBondContact O-N 3.44Å |
| 207 | Y | 54 | Low | 53.7 | Low | 121 Ų | 121 | 98.7 Ų | 98.7 | 48% | 0.475 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -72.2 | -44.6 | 179.6 | -64 | -88.3 | 0 | 0 | 0 | 111.8 | F203 M205 M209 A210 I211 | F203-Y207 AromaticContact CD1-CE2 3.67Å; F203-Y207 HydrophobicContact CD1-CE2 3.67Å; F203-Y207 HydrophobicContact CE1-CE2 4.09Å; F203-Y207 WeakPolarHBondContact CE1-OH 3.5Å; F203-Y207 HydrophobicContact CG-CE2 4.32Å; F203-Y207 WeakPolarHBondContact O-CD2 3.17Å; F203-Y207 VanDerWaalsContact O-CE2 3.28Å; F203-Y207 WeakPolarHBondContact O-CE2 3.34Å; M205-Y207 VanDerWaalsContact C-N 3.34Å; M205-Y207 PolarHBondContact O-N 3.18Å; Y207-M209 VanDerWaalsContact C-N 3.32Å; Y207-M209 PolarHBondContact O-N 2.71Å; Y207-A210 PolarHBondContact O-N 3.42Å; Y207-I211 WeakPolarHBondContact O-CB 3.37Å; Y207-I211 WeakPolarHBondContact O-CD1 3.34Å; Y207-I211 VanDerWaalsContact O-CG1 3.28Å; Y207-I211 WeakPolarHBondContact O-CG1 3.24Å; Y207-I211 PolarHBondContact O-N 3.37Å |
| 208 | S | 54.5 | Low | 53.9 | Low | 42 Ų | 42 | 91.2 Ų | 91.2 | 29% | 0.294 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -59.2 | -43.3 | 171.4 | -60.6 | 0 | 0 | 0 | 0 | 111.5 | H204 I211 L212 | H204-S208 PolarHBondContact O-N 2.98Å; H204-S208 PolarHBondContact O-OG 3.29Å; S208-I211 PolarHBondContact O-N 2.9Å; S208-L212 WeakPolarHBondContact O-CB 3.25Å; S208-L212 VanDerWaalsContact O-CD1 3.24Å; S208-L212 WeakPolarHBondContact O-CD1 3.26Å; S208-L212 PolarHBondContact O-N 3.26Å |
| 209 | M | 53.9 | Low | 54.5 | Low | 138 Ų | 138 | 90.1 Ų | 90.1 | 68% | 0.68 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -61.5 | -43.7 | 175.2 | -81.1 | -74.3 | -83.8 | 0 | 0 | 112.9 | M205 G206 Y207 N213 | M205-M209 WeakPolarHBondContact O-CB 3.5Å; M205-M209 WeakPolarHBondContact O-CG 3.25Å; M205-M209 PolarHBondContact O-N 2.86Å; G206-M209 PolarHBondContact O-N 2.84Å; Y207-M209 VanDerWaalsContact C-N 3.32Å; Y207-M209 PolarHBondContact O-N 2.71Å; M209-N213 WeakPolarHBondContact O-CB 3.48Å; M209-N213 PolarHBondContact O-N 3.02Å |
| 210 | A | 57 | Low | 55.1 | Low | 67 Ų | 67 | 89.6 Ų | 89.6 | 55% | 0.554 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.9 | -42.1 | 178 | 0 | 0 | 0 | 0 | 0 | 112.5 | G206 Y207 N213 G214 | G206-A210 PolarHBondContact O-N 3.44Å; Y207-A210 PolarHBondContact O-N 3.42Å; A210-N213 PolarHBondContact O-N 3.3Å; A210-G214 PolarHBondContact O-N 3.02Å |
| 211 | I | 55.7 | Low | 55.3 | Low | 56 Ų | 56 | 89.7 Ų | 89.7 | 29% | 0.287 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -67.1 | -47.4 | 177.9 | -67.6 | 166.1 | 0 | 0 | 0 | 110.7 | C167 Y207 S208 N213 G214 I215 | C167-I211 VanDerWaalsContact SG-CG2 3.54Å; Y207-I211 WeakPolarHBondContact O-CB 3.37Å; Y207-I211 WeakPolarHBondContact O-CD1 3.34Å; Y207-I211 VanDerWaalsContact O-CG1 3.28Å; Y207-I211 WeakPolarHBondContact O-CG1 3.24Å; Y207-I211 PolarHBondContact O-N 3.37Å; S208-I211 PolarHBondContact O-N 2.9Å; I211-N213 VanDerWaalsContact C-N 3.33Å; I211-N213 PolarHBondContact O-N 2.97Å; I211-G214 PolarHBondContact O-N 3.45Å; I211-I215 HydrophobicContact CG2-CD1 3.98Å; I211-I215 WeakPolarHBondContact O-CG1 3.28Å; I211-I215 PolarHBondContact O-N 2.8Å |
| 212 | L | 61.8 | Low | 55.7 | Low | 107 Ų | 107 | 83.4 Ų | 83.4 | 56% | 0.56 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -60.9 | -40.8 | 174.5 | -92.9 | 120.5 | 0 | 0 | 0 | 111.8 | S208 G214 I215 V216 | S208-L212 WeakPolarHBondContact O-CB 3.25Å; S208-L212 VanDerWaalsContact O-CD1 3.24Å; S208-L212 WeakPolarHBondContact O-CD1 3.26Å; S208-L212 PolarHBondContact O-N 3.26Å; L212-G214 VanDerWaalsContact C-N 3.33Å; L212-G214 PolarHBondContact O-N 3.46Å; L212-I215 PolarHBondContact O-N 2.83Å; L212-V216 WeakPolarHBondContact O-CB 3.45Å; L212-V216 VanDerWaalsContact O-CG2 3.25Å; L212-V216 WeakPolarHBondContact O-CG2 3.19Å; L212-V216 PolarHBondContact O-N 3.25Å |
| 213 | N | 61.4 | Low | 56.1 | Low | 117 Ų | 117 | 89.7 Ų | 89.7 | 63% | 0.626 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -67.5 | -34.2 | 179.6 | -156.9 | 41.5 | 0 | 0 | 0 | 111.9 | M209 A210 I211 A217 | M209-N213 WeakPolarHBondContact O-CB 3.48Å; M209-N213 PolarHBondContact O-N 3.02Å; A210-N213 PolarHBondContact O-N 3.3Å; I211-N213 VanDerWaalsContact C-N 3.33Å; I211-N213 PolarHBondContact O-N 2.97Å; N213-A217 VanDerWaalsContact O-CB 3.26Å; N213-A217 WeakPolarHBondContact O-CB 3.41Å; N213-A217 PolarHBondContact O-N 3.4Å |
| 214 | G | 61 | Low | 56 | Low | 43 Ų | 43 | 88.3 Ų | 88.3 | 44% | 0.443 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.3 | -43.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | A210 I211 L212 A217 A218 | A210-G214 PolarHBondContact O-N 3.02Å; I211-G214 PolarHBondContact O-N 3.45Å; L212-G214 VanDerWaalsContact C-N 3.33Å; L212-G214 PolarHBondContact O-N 3.46Å; G214-A217 PolarHBondContact O-N 2.87Å; G214-A218 WeakPolarHBondContact O-CB 3.46Å; G214-A218 PolarHBondContact O-N 2.65Å |
| 215 | I | 60.2 | Low | 55.8 | Low | 75 Ų | 75 | 88.6 Ų | 88.6 | 39% | 0.385 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.1 | -44.3 | 175.8 | -66.6 | 165.2 | 0 | 0 | 0 | 110.7 | I211 L212 A218 L219 | I211-I215 HydrophobicContact CG2-CD1 3.98Å; I211-I215 WeakPolarHBondContact O-CG1 3.28Å; I211-I215 PolarHBondContact O-N 2.8Å; L212-I215 PolarHBondContact O-N 2.83Å; I215-A218 PolarHBondContact O-N 3.23Å; I215-L219 HydrophobicContact CG2-CD1 3.91Å; I215-L219 HydrophobicContact CG2-CG 4.42Å; I215-L219 WeakPolarHBondContact O-CB 3.34Å; I215-L219 VanDerWaalsContact O-CG 3.3Å; I215-L219 WeakPolarHBondContact O-CG 3.46Å; I215-L219 PolarHBondContact O-N 3.19Å |
| 216 | V | 62.6 | Low | 55.7 | Low | 73 Ų | 73 | 92.5 Ų | 92.5 | 44% | 0.442 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.7 | -42.5 | 176 | 169 | 0 | 0 | 0 | 0 | 110.7 | L212 L219 T220 | L212-V216 WeakPolarHBondContact O-CB 3.45Å; L212-V216 VanDerWaalsContact O-CG2 3.25Å; L212-V216 WeakPolarHBondContact O-CG2 3.19Å; L212-V216 PolarHBondContact O-N 3.25Å; V216-L219 PolarHBondContact O-N 3.29Å; V216-T220 WeakPolarHBondContact O-CB 3.08Å; V216-T220 PolarHBondContact O-N 3.45Å; V216-T220 PolarHBondContact O-OG1 3.46Å |
| 217 | A | 58.1 | Low | 55.8 | Low | 52 Ų | 52 | 94.8 Ų | 94.8 | 43% | 0.43 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.2 | -43.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | N213 G214 T220 V221 | N213-A217 VanDerWaalsContact O-CB 3.26Å; N213-A217 WeakPolarHBondContact O-CB 3.41Å; N213-A217 PolarHBondContact O-N 3.4Å; G214-A217 PolarHBondContact O-N 2.87Å; A217-T220 PolarHBondContact O-N 3.5Å; A217-V221 WeakPolarHBondContact O-CG2 3.28Å; A217-V221 PolarHBondContact O-N 3.03Å |
| 218 | A | 56 | Low | 55.8 | Low | 42 Ų | 42 | 93.4 Ų | 93.4 | 35% | 0.347 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.9 | -43.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | G214 I215 T220 V221 A222 | G214-A218 WeakPolarHBondContact O-CB 3.46Å; G214-A218 PolarHBondContact O-N 2.65Å; I215-A218 PolarHBondContact O-N 3.23Å; A218-T220 VanDerWaalsContact C-N 3.32Å; A218-T220 PolarHBondContact O-N 2.96Å; A218-V221 PolarHBondContact O-N 3.2Å; A218-A222 WeakPolarHBondContact O-CB 3.18Å; A218-A222 PolarHBondContact O-N 3Å |
| 219 | L | 58.4 | Low | 55.9 | Low | 113 Ų | 113 | 96.3 Ų | 96.3 | 59% | 0.592 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -64.4 | -34.6 | 173.7 | -71.3 | 170.4 | 0 | 0 | 0 | 112.4 | I215 V216 W223 | I215-L219 HydrophobicContact CG2-CD1 3.91Å; I215-L219 HydrophobicContact CG2-CG 4.42Å; I215-L219 WeakPolarHBondContact O-CB 3.34Å; I215-L219 VanDerWaalsContact O-CG 3.3Å; I215-L219 WeakPolarHBondContact O-CG 3.46Å; I215-L219 PolarHBondContact O-N 3.19Å; V216-L219 PolarHBondContact O-N 3.29Å; L219-W223 WeakPolarHBondContact O-CB 3.22Å; L219-W223 PolarHBondContact O-N 3.32Å |
| 220 | T | 58.6 | Low | 56 | Low | 76 Ų | 76 | 93.8 Ų | 93.8 | 47% | 0.466 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -71.1 | -41.7 | 178 | -53 | 0 | 0 | 0 | 0 | 111.3 | V216 A217 A218 W223 C224 | V216-T220 WeakPolarHBondContact O-CB 3.08Å; V216-T220 PolarHBondContact O-N 3.45Å; V216-T220 PolarHBondContact O-OG1 3.46Å; A217-T220 PolarHBondContact O-N 3.5Å; A218-T220 VanDerWaalsContact C-N 3.32Å; A218-T220 PolarHBondContact O-N 2.96Å; T220-W223 PolarHBondContact O-N 2.76Å; T220-C224 PolarHBondContact O-N 2.83Å |
| 221 | V | 52.4 | Low | 56 | Low | 92 Ų | 92 | 95.5 Ų | 95.5 | 56% | 0.558 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -65 | -40.5 | 173.9 | 171.4 | 0 | 0 | 0 | 0 | 111 | A217 A218 W223 C224 L225 | A217-V221 WeakPolarHBondContact O-CG2 3.28Å; A217-V221 PolarHBondContact O-N 3.03Å; A218-V221 PolarHBondContact O-N 3.2Å; V221-W223 VanDerWaalsContact C-N 3.34Å; V221-W223 PolarHBondContact O-N 3.48Å; V221-C224 PolarHBondContact O-N 3.12Å; V221-L225 HydrophobicContact CG1-CD1 4.11Å; V221-L225 PolarHBondContact O-N 3.41Å |
| 222 | A | 55.2 | Low | 56 | Low | 21 Ų | 21 | 98.1 Ų | 98.1 | 17% | 0.174 | 55% | 0.552 | C | S | . | * | H | α-helix | trans | -61 | -40.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L156 A218 L225 | L156-A222 HydrophobicContact CD2-CB 3.65Å; A218-A222 WeakPolarHBondContact O-CB 3.18Å; A218-A222 PolarHBondContact O-N 3Å; A222-L225 PolarHBondContact O-N 3.03Å |
| 223 | W | 55.8 | Low | 55.6 | Low | 203 Ų | 203 | 97.5 Ų | 97.5 | 77% | 0.769 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -68.4 | -32.3 | 175.4 | -170.8 | -81.4 | 0 | 0 | 0 | 113 | L219 T220 V221 L225 | L219-W223 WeakPolarHBondContact O-CB 3.22Å; L219-W223 PolarHBondContact O-N 3.32Å; T220-W223 PolarHBondContact O-N 2.76Å; V221-W223 VanDerWaalsContact C-N 3.34Å; V221-W223 PolarHBondContact O-N 3.48Å; W223-L225 PolarHBondContact O-N 3.39Å |
| 224 | C | 47.1 | Very low | 55.1 | Low | 106 Ų | 106 | 96 Ų | 96 | 72% | 0.716 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -7.3 | 173.3 | -79.3 | 0 | 0 | 0 | 0 | 114.4 | T220 V221 | T220-C224 PolarHBondContact O-N 2.83Å; V221-C224 PolarHBondContact O-N 3.12Å |
| 225 | L | 47.3 | Very low | 54.6 | Low | 147 Ų | 147 | 100.4 Ų | 100.4 | 77% | 0.77 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.7 | 3 | 177.9 | -82.5 | 163.7 | 0 | 0 | 0 | 113.2 | V221 A222 W223 | V221-L225 HydrophobicContact CG1-CD1 4.11Å; V221-L225 PolarHBondContact O-N 3.41Å; A222-L225 PolarHBondContact O-N 3.03Å; W223-L225 PolarHBondContact O-N 3.39Å |
| 226 | M | 44.1 | Very low | 54.1 | Low | 205 Ų | 205 | 102.7 Ų | 102.7 | 100% | 1.01 | 57% | 0.57 | S | S | * | * | trans | -113.4 | 0 | -179.6 | -160.1 | 179.4 | -165.5 | 0 | 0 | 111.4 |
Retrieved 226 of 226 residues in 197.1 ms
(Link to these results)