| 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 | 42.6 | Very low | 34.3 | Very low | 254 Ų | 254 | 145.5 Ų | 145.5 | 100% | 1.251 | 84% | 0.837 | S | S | * | * | 0 | 69.7 | 0 | -66.7 | -174.5 | -151.8 | 0 | 0 | 108.6 | |||||
| 2 | A | 32.9 | Very low | 34.1 | Very low | 103 Ų | 103 | 146.3 Ų | 146.3 | 85% | 0.851 | 84% | 0.837 | S | S | * | * | trans | -159.2 | 81.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 104.6 | ||||
| 3 | A | 29.4 | Very low | 34.1 | Very low | 87 Ų | 87 | 144.2 Ų | 144.2 | 72% | 0.719 | 83% | 0.832 | S | S | * | * | trans | -156.8 | -7.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 4 | D | 34.5 | Very low | 33.8 | Very low | 156 Ų | 156 | 144.1 Ų | 144.1 | 83% | 0.834 | 83% | 0.834 | S | S | * | * | S | Bend | trans | -104.3 | 9 | -176.3 | -69.4 | -27.2 | 0 | 0 | 0 | 114.4 | ||
| 5 | C | 33.2 | Very low | 33.5 | Very low | 117 Ų | 117 | 147.1 Ų | 147.1 | 79% | 0.791 | 84% | 0.837 | S | S | * | * | S | Bend | trans | -98.3 | -8.9 | 177.5 | -70.2 | 0 | 0 | 0 | 0 | 115.1 | ||
| 6 | E | 30.7 | Very low | 33.2 | Very low | 163 Ų | 163 | 144.5 Ų | 144.5 | 76% | 0.762 | 84% | 0.84 | S | S | * | * | S | Bend | trans | -96.5 | -12.2 | -175.3 | -77.1 | -171.8 | 158.4 | 0 | 0 | 114.9 | W8 | E6-W8 VanDerWaalsContact C-N 3.34Å; E6-W8 PolarHBondContact O-N 3.45Å |
| 7 | A | 34.7 | Very low | 32.8 | Very low | 89 Ų | 89 | 140.2 Ų | 140.2 | 74% | 0.736 | 83% | 0.833 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.1 | -15.3 | -174 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 8 | W | 38.1 | Very low | 32.5 | Very low | 243 Ų | 243 | 141.6 Ų | 141.6 | 92% | 0.92 | 84% | 0.836 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.6 | -6.8 | -174.6 | -82.9 | 63.1 | 0 | 0 | 0 | 114.5 | E6 | E6-W8 VanDerWaalsContact C-N 3.34Å; E6-W8 PolarHBondContact O-N 3.45Å |
| 9 | L | 34.1 | Very low | 32.3 | Very low | 139 Ų | 139 | 143.2 Ų | 143.2 | 73% | 0.728 | 84% | 0.84 | S | S | * | * | S | Bend | trans | -88.4 | -3 | -171.1 | -72.3 | 170.2 | 0 | 0 | 0 | 115.4 | ||
| 10 | N | 33.5 | Very low | 32 | Very low | 153 Ų | 153 | 141.4 Ų | 141.4 | 82% | 0.818 | 84% | 0.835 | S | S | * | * | trans | -119.4 | 26.3 | -169.7 | -80.6 | -24.7 | 0 | 0 | 0 | 116.2 | ||||
| 11 | A | 33.1 | Very low | 31.7 | Very low | 97 Ų | 97 | 142.4 Ų | 142.4 | 80% | 0.802 | 84% | 0.836 | S | S | * | * | trans | -98.8 | 92.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 12 | N | 32.3 | Very low | 30.8 | Very low | 155 Ų | 155 | 134.7 Ų | 134.7 | 83% | 0.829 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 142.9 | 164.6 | -102.7 | -6 | 0 | 0 | 0 | 110.5 | ||
| 13 | P | 33.7 | Very low | 30.4 | Very low | 119 Ų | 119 | 140 Ų | 140 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 131.7 | 172.6 | 31.7 | -29.8 | 0 | 0 | 0 | 110.5 | ||
| 14 | V | 30.1 | Very low | 30.1 | Very low | 142 Ų | 142 | 143 Ų | 143 | 86% | 0.861 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 129.9 | 169.3 | 174 | 0 | 0 | 0 | 0 | 108.7 | ||
| 15 | E | 29 | Very low | 29.7 | Very low | 189 Ų | 189 | 141.6 Ų | 141.6 | 88% | 0.883 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 135.3 | 172 | -68 | 176 | 145.6 | 0 | 0 | 112.6 | ||
| 16 | A | 29.4 | Very low | 29.3 | Very low | 106 Ų | 106 | 139.6 Ų | 139.6 | 88% | 0.876 | 81% | 0.808 | S | S | * | * | trans | -166.9 | 129.1 | 151.8 | 0 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 17 | G | 26.2 | Very low | 29.1 | Very low | 71 Ų | 71 | 140.4 Ų | 140.4 | 73% | 0.732 | 81% | 0.812 | S | S | * | * | cis | 147.9 | 119.9 | 18.3 | 0 | 0 | 0 | 0 | 0 | 104 | L19 | G17-L19 PolarHBondContact O-N 3.33Š| ||
| 18 | D | 26.8 | Very low | 28.9 | Very low | 165 Ų | 165 | 145.7 Ų | 145.7 | 88% | 0.882 | 82% | 0.822 | S | S | * | * | trans | -45.8 | 126.8 | 179.2 | -87.3 | -41.4 | 0 | 0 | 0 | 112.7 | ||||
| 19 | L | 29.1 | Very low | 28.3 | Very low | 173 Ų | 173 | 141.3 Ų | 141.3 | 91% | 0.906 | 82% | 0.816 | S | S | * | * | trans | -143.9 | 98.3 | 150.9 | -74.5 | -179.5 | 0 | 0 | 0 | 109.4 | G17 | G17-L19 PolarHBondContact O-N 3.33Š| ||
| 20 | S | 25.8 | Very low | 28 | Very low | 106 Ų | 106 | 142.2 Ų | 142.2 | 74% | 0.741 | 82% | 0.822 | S | S | * | * | trans | -64.8 | 135.8 | 157.8 | 54.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 21 | D | 25.7 | Very low | 27.6 | Very low | 163 Ų | 163 | 138.2 Ų | 138.2 | 87% | 0.872 | 82% | 0.817 | S | S | * | * | trans | -151.7 | 129.4 | 140.9 | -106.9 | -20.3 | 0 | 0 | 0 | 111.9 | ||||
| 22 | S | 24.7 | Very low | 27.2 | Very low | 92 Ų | 92 | 137.5 Ų | 137.5 | 64% | 0.643 | 82% | 0.819 | S | S | * | * | trans | -82.1 | 140 | -175.7 | 45.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 23 | F | 24.7 | Very low | 26.8 | Very low | 216 Ų | 216 | 136.5 Ų | 136.5 | 95% | 0.947 | 82% | 0.824 | S | S | * | * | trans | -135.5 | 120.4 | 149 | -97.2 | -81.2 | 0 | 0 | 0 | 110.7 | ||||
| 24 | I | 23.5 | Very low | 26.4 | Very low | 150 Ų | 150 | 134.6 Ų | 134.6 | 77% | 0.769 | 83% | 0.826 | S | S | * | * | trans | -89.5 | 138.2 | 171.4 | -68.9 | 166.3 | 0 | 0 | 0 | 107.4 | ||||
| 25 | S | 25.8 | Very low | 26.2 | Very low | 126 Ų | 126 | 133.9 Ų | 133.9 | 88% | 0.881 | 82% | 0.821 | S | S | * | * | trans | -153.5 | 124.6 | 143.8 | -99.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 26 | A | 25.5 | Very low | 26.1 | Very low | 74 Ų | 74 | 130.9 Ų | 130.9 | 61% | 0.612 | 82% | 0.822 | S | S | * | * | trans | -61.4 | 143 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 27 | E | 26 | Very low | 26 | Very low | 181 Ų | 181 | 133.2 Ų | 133.2 | 85% | 0.846 | 82% | 0.819 | S | S | * | * | 85.1 | 119.4 | 106.9 | -77.7 | 178.9 | 172.1 | 0 | 0 | 114.1 | |||||
| 28 | E | 29.2 | Very low | 26.1 | Very low | 200 Ų | 200 | 138.5 Ų | 138.5 | 94% | 0.935 | 82% | 0.822 | S | S | * | * | -170.6 | 149.1 | 107.7 | -102.5 | -176.9 | -178.7 | 0 | 0 | 112.5 | |||||
| 29 | D | 26.3 | Very low | 26 | Very low | 151 Ų | 151 | 137.7 Ų | 137.7 | 81% | 0.807 | 82% | 0.818 | S | S | * | * | trans | -81 | 149.3 | -169.2 | -159.8 | 5.8 | 0 | 0 | 0 | 112 | ||||
| 30 | N | 28.2 | Very low | 25.9 | Very low | 157 Ų | 157 | 134 Ų | 134 | 84% | 0.84 | 81% | 0.812 | S | S | * | * | -176.4 | 132.2 | 126.5 | -138.7 | -10 | 0 | 0 | 0 | 113 | |||||
| 31 | G | 23.9 | Very low | 26 | Very low | 70 Ų | 70 | 135.9 Ų | 135.9 | 72% | 0.722 | 81% | 0.813 | S | S | * | * | trans | -83.9 | 178.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 32 | G | 25.8 | Very low | 26 | Very low | 81 Ų | 81 | 135.7 Ų | 135.7 | 84% | 0.835 | 81% | 0.812 | S | S | * | * | trans | 171.4 | 77.5 | 172 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 33 | S | 23.7 | Very low | 26.1 | Very low | 135 Ų | 135 | 139.6 Ų | 139.6 | 94% | 0.944 | 82% | 0.819 | S | S | * | * | trans | -59.4 | 139.5 | 164.8 | -78.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 34 | G | 26.1 | Very low | 26.2 | Very low | 78 Ų | 78 | 136.5 Ų | 136.5 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | trans | -154.1 | 90.8 | 173 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 35 | V | 25.9 | Very low | 26.4 | Very low | 127 Ų | 127 | 136.9 Ų | 136.9 | 77% | 0.77 | 82% | 0.815 | S | S | * | * | trans | -57.9 | 140.1 | 175.3 | 172 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 36 | S | 27 | Very low | 26.5 | Very low | 127 Ų | 127 | 133.6 Ų | 133.6 | 89% | 0.888 | 80% | 0.801 | S | S | * | * | trans | -141.9 | 139.6 | 153.4 | -92.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 37 | N | 27.1 | Very low | 26.7 | Very low | 155 Ų | 155 | 137.5 Ų | 137.5 | 83% | 0.829 | 81% | 0.812 | S | S | * | * | trans | -77.6 | 157.2 | -158.7 | -91.4 | -30.7 | 0 | 0 | 0 | 114.9 | ||||
| 38 | K | 26.4 | Very low | 27.1 | Very low | 182 Ų | 182 | 140.8 Ų | 140.8 | 79% | 0.791 | 82% | 0.816 | S | S | * | * | trans | -64.1 | 157.8 | 166.7 | -68.6 | 172.2 | 169.8 | 175.9 | 0 | 114.1 | ||||
| 39 | N | 25.5 | Very low | 27.4 | Very low | 148 Ų | 148 | 137.4 Ų | 137.4 | 79% | 0.791 | 81% | 0.809 | S | S | * | * | trans | 94.1 | 114.2 | 144.6 | -63.2 | -16.9 | 0 | 0 | 0 | 121 | ||||
| 40 | A | 26.7 | Very low | 27.7 | Very low | 96 Ų | 96 | 134.3 Ų | 134.3 | 79% | 0.793 | 80% | 0.799 | S | S | * | * | trans | -166.2 | 101.5 | 134.9 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 41 | I | 27.4 | Very low | 28 | Very low | 145 Ų | 145 | 130.8 Ų | 130.8 | 74% | 0.744 | 79% | 0.787 | S | S | * | * | 35 | 103.3 | 87 | -41.7 | -178.9 | 0 | 0 | 0 | 114.2 | |||||
| 42 | N | 27.1 | Very low | 28.9 | Very low | 159 Ų | 159 | 131.3 Ų | 131.3 | 85% | 0.85 | 78% | 0.78 | S | S | * | * | -176.4 | 133.8 | 116.3 | -98.7 | -16.4 | 0 | 0 | 0 | 112.3 | |||||
| 43 | E | 25.3 | Very low | 29.7 | Very low | 173 Ų | 173 | 131.7 Ų | 131.7 | 81% | 0.808 | 77% | 0.77 | S | S | * | * | trans | -78.8 | 177.2 | 178.5 | -62.8 | 173.6 | 140.6 | 0 | 0 | 113.2 | ||||
| 44 | I | 27.8 | Very low | 30.4 | Very low | 151 Ų | 151 | 129.7 Ų | 129.7 | 77% | 0.774 | 75% | 0.748 | S | S | * | * | trans | 85.6 | 123 | 160.7 | -44.6 | 161.6 | 0 | 0 | 0 | 112.5 | ||||
| 45 | N | 27.7 | Very low | 31.5 | Very low | 158 Ų | 158 | 130.4 Ų | 130.4 | 85% | 0.845 | 73% | 0.734 | S | S | * | * | cis | -164.8 | 160 | 31 | -153.9 | -5.8 | 0 | 0 | 0 | 112.5 | ||||
| 46 | G | 28.2 | Very low | 32.6 | Very low | 57 Ų | 57 | 130.4 Ų | 130.4 | 59% | 0.588 | 73% | 0.728 | S | S | * | * | trans | 98.4 | 104.3 | 137.5 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 47 | N | 29.1 | Very low | 33.5 | Very low | 157 Ų | 157 | 130.3 Ų | 130.3 | 84% | 0.84 | 71% | 0.713 | S | S | * | * | -166.5 | 137.1 | 110.8 | -119.8 | 22.2 | 0 | 0 | 0 | 113.3 | |||||
| 48 | W | 34.4 | Very low | 34.5 | Very low | 249 Ų | 249 | 126.8 Ų | 126.8 | 94% | 0.943 | 69% | 0.692 | S | S | * | * | trans | -60.9 | 132.7 | 166.5 | -74.7 | 48.6 | 0 | 0 | 0 | 110.7 | ||||
| 49 | V | 36.6 | Very low | 35.6 | Very low | 129 Ų | 129 | 121 Ų | 121 | 78% | 0.782 | 68% | 0.678 | S | S | * | * | trans | -134.6 | 127.1 | 166.3 | -173.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 50 | S | 32.6 | Very low | 36.9 | Very low | 86 Ų | 86 | 122.9 Ų | 122.9 | 60% | 0.601 | 67% | 0.674 | S | S | * | * | trans | -66.6 | 150.6 | 177.8 | 167.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 51 | S | 32.6 | Very low | 37.8 | Very low | 83 Ų | 83 | 123.4 Ų | 123.4 | 58% | 0.58 | 66% | 0.663 | S | S | * | * | trans | -30.4 | 126.7 | 178.6 | -48 | 0 | 0 | 0 | 0 | 116.9 | S53 N54 | S51-S53 VanDerWaalsContact C-N 3.27Å; S51-S53 PolarHBondContact O-N 3.16Å; S51-S53 VanDerWaalsContact O-N 3.16Å; S51-N54 PolarHBondContact O-N 3.09Å; S51-N54 VanDerWaalsContact O-N 3.15Å | ||
| 52 | S | 42.9 | Very low | 39.1 | Very low | 82 Ų | 82 | 121.7 Ų | 121.7 | 57% | 0.573 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.2 | -13.2 | -172.6 | -28.5 | 0 | 0 | 0 | 0 | 116 | N54 N55 | S52-N54 VanDerWaalsContact C-N 3.31Å; S52-N55 PolarHBondContact O-N 2.88Å |
| 53 | S | 42.6 | Very low | 40.4 | Very low | 89 Ų | 89 | 117.7 Ų | 117.7 | 62% | 0.622 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -74.1 | -23.6 | 173.5 | 56.1 | 0 | 0 | 0 | 0 | 112.8 | S51 | S51-S53 VanDerWaalsContact C-N 3.27Å; S51-S53 PolarHBondContact O-N 3.16Å; S51-S53 VanDerWaalsContact O-N 3.16Å |
| 54 | N | 40 | Very low | 41.7 | Very low | 92 Ų | 92 | 117.5 Ų | 117.5 | 49% | 0.492 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -77.5 | -25.1 | 170.8 | -71.5 | -30.5 | 0 | 0 | 0 | 111.6 | S51 S52 H57 E58 | S51-N54 PolarHBondContact O-N 3.09Å; S51-N54 VanDerWaalsContact O-N 3.15Å; S52-N54 VanDerWaalsContact C-N 3.31Å; N54-H57 PolarHBondContact O-N 3.02Å; N54-E58 WeakPolarHBondContact O-CA 3.39Å; N54-E58 WeakPolarHBondContact O-CB 3.27Å; N54-E58 PolarHBondContact O-N 2.7Å |
| 55 | N | 48.3 | Very low | 42.4 | Very low | 93 Ų | 93 | 114.3 Ų | 114.3 | 50% | 0.497 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -72.2 | -34.2 | -173.2 | -139.9 | 8.3 | 0 | 0 | 0 | 113 | S52 A59 | S52-N55 PolarHBondContact O-N 2.88Å; N55-A59 WeakPolarHBondContact O-CB 3.25Å; N55-A59 PolarHBondContact O-N 2.87Å |
| 56 | I | 49.6 | Very low | 43.3 | Very low | 127 Ų | 127 | 115 Ų | 115 | 65% | 0.651 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -70.9 | -39.9 | 176.1 | -63.2 | 165.2 | 0 | 0 | 0 | 111.1 | R60 | I56-R60 PolarHBondContact O-N 3Å |
| 57 | H | 45.9 | Very low | 44.1 | Very low | 125 Ų | 125 | 122.5 Ų | 122.5 | 58% | 0.579 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -73.4 | -35.2 | 175.4 | -110.2 | -66.3 | 0 | 0 | 0 | 112.1 | N54 R60 L61 | N54-H57 PolarHBondContact O-N 3.02Å; H57-R60 PolarHBondContact O-N 3.14Å; H57-L61 WeakPolarHBondContact O-CB 3.45Å; H57-L61 WeakPolarHBondContact O-CD1 3.42Å; H57-L61 WeakPolarHBondContact O-CG 3.41Å; H57-L61 PolarHBondContact O-N 3.35Å |
| 58 | E | 47.2 | Very low | 44.8 | Very low | 82 Ų | 82 | 125.9 Ų | 125.9 | 38% | 0.383 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -72.6 | -35 | 176.8 | -168.9 | 179.5 | 163.2 | 0 | 0 | 111.8 | N54 L61 K62 | N54-E58 WeakPolarHBondContact O-CA 3.39Å; N54-E58 WeakPolarHBondContact O-CB 3.27Å; N54-E58 PolarHBondContact O-N 2.7Å; E58-L61 PolarHBondContact O-N 3.3Å; E58-K62 HydrophobicContact CG-CD 4.06Å; E58-K62 HydrophobicContact CG-CG 4.38Å; E58-K62 WeakPolarHBondContact O-CB 3.48Å; E58-K62 VanDerWaalsContact O-CG 3.32Å; E58-K62 WeakPolarHBondContact O-CG 3.46Å; E58-K62 PolarHBondContact O-N 3Å; E58-K62 WeakPolarHBondContact OE1-CE 3.2Å; E58-K62 IonicContact OE1-NZ 3.12Å; E58-K62 PolarHBondContact OE1-NZ 3.19Å |
| 59 | A | 50.4 | Low | 45 | Very low | 60 Ų | 60 | 121.6 Ų | 121.6 | 50% | 0.496 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -63.2 | -45 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | N55 L61 K62 A63 | N55-A59 WeakPolarHBondContact O-CB 3.25Å; N55-A59 PolarHBondContact O-N 2.87Å; A59-L61 VanDerWaalsContact C-N 3.34Å; A59-L61 PolarHBondContact O-N 3.29Å; A59-K62 PolarHBondContact O-N 3.04Å; A59-A63 VanDerWaalsContact O-CB 3.31Å; A59-A63 WeakPolarHBondContact O-CB 3.31Å; A59-A63 PolarHBondContact O-N 2.9Å |
| 60 | R | 52.2 | Low | 45 | Very low | 188 Ų | 188 | 126.7 Ų | 126.7 | 71% | 0.709 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -62.4 | -36.1 | 172.9 | -110.2 | 177.5 | 166.6 | 157.3 | -0.6 | 113.5 | I56 H57 K64 | I56-R60 PolarHBondContact O-N 3Å; H57-R60 PolarHBondContact O-N 3.14Å; R60-K64 PolarHBondContact O-N 3.19Å |
| 61 | L | 45.8 | Very low | 45.3 | Very low | 107 Ų | 107 | 132 Ų | 132 | 56% | 0.56 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -78.4 | -37.4 | 177.8 | -82.3 | 160.9 | 0 | 0 | 0 | 112.3 | H57 E58 A59 K64 A65 | H57-L61 WeakPolarHBondContact O-CB 3.45Å; H57-L61 WeakPolarHBondContact O-CD1 3.42Å; H57-L61 WeakPolarHBondContact O-CG 3.41Å; H57-L61 PolarHBondContact O-N 3.35Å; E58-L61 PolarHBondContact O-N 3.3Å; A59-L61 VanDerWaalsContact C-N 3.34Å; A59-L61 PolarHBondContact O-N 3.29Å; L61-K64 CarbonylContact O-C 3.57Å; L61-K64 PolarHBondContact O-N 3.42Å; L61-A65 VanDerWaalsContact O-CB 3.24Å; L61-A65 WeakPolarHBondContact O-CB 3.35Å; L61-A65 PolarHBondContact O-N 2.78Å |
| 62 | K | 55.1 | Low | 45.1 | Very low | 108 Ų | 108 | 135 Ų | 135 | 47% | 0.47 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -67.5 | -36 | 173.4 | -80.3 | 172.2 | 170.2 | 162.5 | 0 | 111.2 | E58 A59 K64 A65 K66 | E58-K62 HydrophobicContact CG-CD 4.06Å; E58-K62 HydrophobicContact CG-CG 4.38Å; E58-K62 WeakPolarHBondContact O-CB 3.48Å; E58-K62 VanDerWaalsContact O-CG 3.32Å; E58-K62 WeakPolarHBondContact O-CG 3.46Å; E58-K62 PolarHBondContact O-N 3Å; E58-K62 WeakPolarHBondContact OE1-CE 3.2Å; E58-K62 IonicContact OE1-NZ 3.12Å; E58-K62 PolarHBondContact OE1-NZ 3.19Å; A59-K62 PolarHBondContact O-N 3.04Å; K62-K64 VanDerWaalsContact C-N 3.33Å; K62-K64 PolarHBondContact O-N 3.09Å; K62-A65 PolarHBondContact O-N 2.88Å; K62-K66 VanDerWaalsContact O-CB 3.28Å; K62-K66 WeakPolarHBondContact O-CB 3.25Å; K62-K66 WeakPolarHBondContact O-CG 3.25Å; K62-K66 PolarHBondContact O-N 2.93Å |
| 63 | A | 54.7 | Low | 44.9 | Very low | 75 Ų | 75 | 137.1 Ų | 137.1 | 62% | 0.62 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -63.4 | -36.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | A59 | A59-A63 VanDerWaalsContact O-CB 3.31Å; A59-A63 WeakPolarHBondContact O-CB 3.31Å; A59-A63 PolarHBondContact O-N 2.9Å |
| 64 | K | 52.5 | Low | 44.6 | Very low | 170 Ų | 170 | 138 Ų | 138 | 74% | 0.739 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -77.3 | -32.5 | 173.7 | -83.3 | -179.2 | 172.1 | 178.1 | 0 | 114.2 | R60 L61 K62 R67 | R60-K64 PolarHBondContact O-N 3.19Å; L61-K64 CarbonylContact O-C 3.57Å; L61-K64 PolarHBondContact O-N 3.42Å; K62-K64 VanDerWaalsContact C-N 3.33Å; K62-K64 PolarHBondContact O-N 3.09Å; K64-R67 WeakPolarHBondContact O-CB 3.44Å |
| 65 | A | 42.9 | Very low | 44.4 | Very low | 83 Ų | 83 | 145.1 Ų | 145.1 | 69% | 0.686 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -87.2 | -22.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | L61 K62 R67 | L61-A65 VanDerWaalsContact O-CB 3.24Å; L61-A65 WeakPolarHBondContact O-CB 3.35Å; L61-A65 PolarHBondContact O-N 2.78Å; K62-A65 PolarHBondContact O-N 2.88Å; A65-R67 PolarHBondContact O-N 2.87Å |
| 66 | K | 46.6 | Very low | 43.5 | Very low | 174 Ų | 174 | 148.4 Ų | 148.4 | 76% | 0.757 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | 4.6 | 168.5 | -73.1 | -176.8 | 179.2 | -179.4 | 0 | 113.4 | K62 R68 | K62-K66 VanDerWaalsContact O-CB 3.28Å; K62-K66 WeakPolarHBondContact O-CB 3.25Å; K62-K66 WeakPolarHBondContact O-CG 3.25Å; K62-K66 PolarHBondContact O-N 2.93Å; K66-R68 PolarHBondContact O-N 3.36Å |
| 67 | R | 44.1 | Very low | 42.9 | Very low | 213 Ų | 213 | 147.4 Ų | 147.4 | 80% | 0.804 | 72% | 0.723 | S | S | * | * | trans | -64.8 | 73 | 156.1 | -171.6 | -178.3 | -87.3 | -153.4 | -4.9 | 108.7 | K64 A65 L69 | K64-R67 WeakPolarHBondContact O-CB 3.44Å; A65-R67 PolarHBondContact O-N 2.87Å; R67-L69 PolarHBondContact O-N 2.74Å; R67-L69 VanDerWaalsContact O-N 3.13Å | ||
| 68 | R | 42.9 | Very low | 42.2 | Very low | 229 Ų | 229 | 144.2 Ų | 144.2 | 86% | 0.864 | 72% | 0.724 | S | S | * | * | trans | -59 | 116.6 | 156.6 | -82.6 | -172.1 | 159 | -155 | -3.9 | 106 | K66 R70 | K66-R68 PolarHBondContact O-N 3.36Å; R68-R70 PolarHBondContact O-N 3.21Å | ||
| 69 | L | 39.7 | Very low | 41.6 | Very low | 158 Ų | 158 | 152.7 Ų | 152.7 | 83% | 0.827 | 75% | 0.752 | S | S | * | * | trans | -42 | 102.9 | 158.3 | -94.4 | 79 | 0 | 0 | 0 | 108.6 | R67 K71 | R67-L69 PolarHBondContact O-N 2.74Å; R67-L69 VanDerWaalsContact O-N 3.13Å; L69-K71 PolarHBondContact O-N 3.21Å | ||
| 70 | R | 37 | Very low | 40.7 | Very low | 237 Ų | 237 | 153.3 Ų | 153.3 | 89% | 0.894 | 77% | 0.765 | S | S | * | * | trans | -73 | 107.8 | 149.1 | -83.4 | -170.5 | 170.6 | -157.2 | -0.1 | 105.6 | R68 N72 | R68-R70 PolarHBondContact O-N 3.21Å; R70-N72 PolarHBondContact O-N 3.31Å | ||
| 71 | K | 37.7 | Very low | 39.8 | Very low | 197 Ų | 197 | 151.6 Ų | 151.6 | 86% | 0.857 | 77% | 0.77 | S | S | * | * | trans | -50.1 | 105.4 | 170.4 | -75.6 | 174.8 | 172.8 | 177 | 0 | 109 | L69 | L69-K71 PolarHBondContact O-N 3.21Š| ||
| 72 | N | 29.7 | Very low | 39.3 | Very low | 147 Ų | 147 | 152.2 Ų | 152.2 | 79% | 0.786 | 78% | 0.783 | S | S | * | * | trans | -82.7 | 114.9 | 152.4 | 31.7 | 23 | 0 | 0 | 0 | 106.9 | R70 S74 | R70-N72 PolarHBondContact O-N 3.31Å; N72-S74 PolarHBondContact O-N 3.44Å | ||
| 73 | S | 37.7 | Very low | 38.2 | Very low | 126 Ų | 126 | 155 Ų | 155 | 88% | 0.881 | 80% | 0.802 | S | S | * | * | trans | -63.3 | 112.5 | 168.8 | 41.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 74 | S | 37.1 | Very low | 37.3 | Very low | 108 Ų | 108 | 156.8 Ų | 156.8 | 76% | 0.755 | 81% | 0.81 | S | S | * | * | trans | -142.2 | 110.2 | 155.9 | 66.1 | 0 | 0 | 0 | 0 | 110 | N72 | N72-S74 PolarHBondContact O-N 3.44Š| ||
| 75 | R | 34.8 | Very low | 36.3 | Very low | 241 Ų | 241 | 155.2 Ų | 155.2 | 91% | 0.909 | 81% | 0.81 | S | S | * | * | trans | 29.1 | 97.8 | 144.5 | -76.2 | 173 | 150.8 | 139.3 | -5.6 | 116.7 | ||||
| 76 | D | 29.8 | Very low | 35.8 | Very low | 162 Ų | 162 | 158.6 Ų | 158.6 | 87% | 0.866 | 82% | 0.816 | S | S | * | * | trans | -71.2 | 115.4 | 147 | -177.6 | 19.6 | 0 | 0 | 0 | 108.6 | ||||
| 77 | S | 38.3 | Very low | 35.1 | Very low | 105 Ų | 105 | 153.9 Ų | 153.9 | 73% | 0.734 | 82% | 0.817 | S | S | * | * | trans | -140.2 | 108 | 160.2 | 56.8 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 78 | G | 31.1 | Very low | 34.4 | Very low | 59 Ų | 59 | 152.7 Ų | 152.7 | 61% | 0.608 | 82% | 0.821 | S | S | * | * | trans | -62 | 165.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 79 | R | 34.2 | Very low | 33.8 | Very low | 259 Ų | 259 | 146.6 Ų | 146.6 | 98% | 0.977 | 81% | 0.809 | S | S | * | * | trans | 142.9 | 127.9 | 166.2 | -86.3 | 164.6 | 178.5 | -159.1 | 0.5 | 105.4 | ||||
| 80 | G | 31.9 | Very low | 33.5 | Very low | 74 Ų | 74 | 146.2 Ų | 146.2 | 76% | 0.763 | 81% | 0.813 | S | S | * | * | cis | 170.8 | 126 | 7.3 | 0 | 0 | 0 | 0 | 0 | 104.3 | ||||
| 81 | D | 32.6 | Very low | 33.2 | Very low | 151 Ų | 151 | 146 Ų | 146 | 81% | 0.807 | 81% | 0.812 | S | S | * | * | trans | -59.4 | 130.2 | 164.2 | -175.8 | 15.9 | 0 | 0 | 0 | 108.9 | ||||
| 82 | S | 34.1 | Very low | 33 | Very low | 120 Ų | 120 | 140 Ų | 140 | 84% | 0.839 | 81% | 0.806 | S | S | * | * | trans | -171.4 | 120.7 | 155.2 | -80.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 83 | L | 33.4 | Very low | 33 | Very low | 167 Ų | 167 | 139.3 Ų | 139.3 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | trans | -73.8 | 147.8 | 164.2 | -61.5 | 161.6 | 0 | 0 | 0 | 111.3 | ||||
| 84 | S | 35.3 | Very low | 32.7 | Very low | 112 Ų | 112 | 138 Ų | 138 | 78% | 0.783 | 80% | 0.798 | S | S | * | * | trans | 170.9 | 108.4 | 145.6 | -172.5 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 85 | D | 31.7 | Very low | 32.6 | Very low | 137 Ų | 137 | 141.2 Ų | 141.2 | 73% | 0.733 | 80% | 0.803 | S | S | * | * | 51.2 | 98.9 | 74.3 | -158.4 | 31.1 | 0 | 0 | 0 | 114.2 | |||||
| 86 | N | 31.9 | Very low | 33 | Very low | 154 Ų | 154 | 133.7 Ų | 133.7 | 82% | 0.824 | 79% | 0.793 | S | S | * | * | 166.2 | 135.5 | 121.4 | -101 | -13.9 | 0 | 0 | 0 | 111.9 | |||||
| 87 | G | 31.3 | Very low | 33.5 | Very low | 75 Ų | 75 | 132.3 Ų | 132.3 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | trans | 149.4 | 71.6 | 160.5 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 88 | E | 29.4 | Very low | 33.3 | Very low | 189 Ų | 189 | 133 Ų | 133 | 88% | 0.883 | 79% | 0.792 | S | S | * | * | trans | -10.4 | 153.1 | 138.1 | -95 | -160 | 141.2 | 0 | 0 | 118 | ||||
| 89 | V | 31 | Very low | 33.5 | Very low | 101 Ų | 101 | 135.3 Ų | 135.3 | 61% | 0.612 | 80% | 0.8 | S | S | * | * | cis | -163.7 | 137.1 | 1.1 | 164 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 90 | V | 33.5 | Very low | 34.1 | Very low | 149 Ų | 149 | 128.7 Ų | 128.7 | 90% | 0.903 | 79% | 0.79 | S | S | * | * | trans | -145.5 | 127.9 | 139.5 | 179.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 91 | R | 31.9 | Very low | 34.7 | Very low | 232 Ų | 232 | 134.8 Ų | 134.8 | 88% | 0.875 | 80% | 0.796 | S | S | * | * | trans | -75 | 134.1 | -175.7 | 177.5 | -175.4 | -96.6 | 173.3 | -9.5 | 111.9 | ||||
| 92 | G | 31.8 | Very low | 34.9 | Very low | 72 Ų | 72 | 133.4 Ų | 133.4 | 74% | 0.742 | 80% | 0.798 | S | S | * | * | trans | -163 | 85.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 93 | T | 31.3 | Very low | 35.4 | Very low | 132 Ų | 132 | 136.5 Ų | 136.5 | 81% | 0.81 | 80% | 0.796 | S | S | * | * | trans | -29.1 | 143.1 | 151.8 | 28.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 94 | S | 31.4 | Very low | 35.7 | Very low | 98 Ų | 98 | 135.9 Ų | 135.9 | 69% | 0.685 | 79% | 0.793 | S | S | * | * | cis | 175.7 | 161 | 29.5 | 42.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 95 | M | 34.3 | Very low | 35.8 | Very low | 176 Ų | 176 | 137.5 Ų | 137.5 | 87% | 0.867 | 79% | 0.792 | S | S | * | * | trans | 85.4 | 99.5 | 155.1 | -48.5 | -167.7 | 70.3 | 0 | 0 | 119 | ||||
| 96 | A | 42.4 | Very low | 36.5 | Very low | 83 Ų | 83 | 137.5 Ų | 137.5 | 69% | 0.686 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 141.2 | 142.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||
| 97 | P | 41.2 | Very low | 37.1 | Very low | 134 Ų | 134 | 141.1 Ų | 141.1 | 87% | 0.87 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 129.4 | 163.1 | 24.9 | -16.4 | 0 | 0 | 0 | 110.6 | ||
| 98 | T | 33.4 | Very low | 38 | Very low | 118 Ų | 118 | 145.6 Ų | 145.6 | 72% | 0.724 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 132.5 | -178.8 | 47.2 | 0 | 0 | 0 | 0 | 112.9 | ||
| 99 | S | 34.9 | Very low | 38.8 | Very low | 109 Ų | 109 | 140.9 Ų | 140.9 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | trans | 71.2 | 164.4 | 133.7 | 89.9 | 0 | 0 | 0 | 0 | 118 | ||||
| 100 | P | 46.7 | Very low | 39.8 | Very low | 120 Ų | 120 | 147.8 Ų | 147.8 | 78% | 0.779 | 80% | 0.795 | S | S | * | * | cis | -138.9 | 167.6 | 27.9 | 37.4 | -15.1 | 0 | 0 | 0 | 118.8 | ||||
| 101 | K | 45.1 | Very low | 40.3 | Very low | 202 Ų | 202 | 147.7 Ų | 147.7 | 88% | 0.878 | 79% | 0.787 | S | S | * | * | trans | -54.3 | 142.2 | 174.8 | -61.9 | 165.3 | 175.3 | 168.1 | 0 | 112.6 | ||||
| 102 | S | 36.7 | Very low | 41.3 | Very low | 122 Ų | 122 | 141.1 Ų | 141.1 | 85% | 0.853 | 79% | 0.791 | S | S | * | * | trans | -135.1 | 126.4 | 139.7 | 67.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 103 | K | 44.2 | Very low | 42.4 | Very low | 184 Ų | 184 | 146.4 Ų | 146.4 | 80% | 0.8 | 79% | 0.794 | S | S | * | * | trans | -84 | 156.9 | 169.7 | -73.1 | 178.5 | 172.5 | 179.6 | 0 | 108.5 | ||||
| 104 | L | 40.1 | Very low | 43.5 | Very low | 154 Ų | 154 | 143.5 Ų | 143.5 | 81% | 0.806 | 79% | 0.79 | S | S | * | * | trans | 75.3 | 109.7 | 160.9 | -63.2 | 153.3 | 0 | 0 | 0 | 115.7 | ||||
| 105 | L | 37 | Very low | 44.7 | Very low | 147 Ų | 147 | 149.4 Ų | 149.4 | 77% | 0.77 | 80% | 0.797 | S | S | * | * | -175.8 | 120 | 91.3 | -83.9 | 172.2 | 0 | 0 | 0 | 108.4 | R107 | L105-R107 VanDerWaalsContact C-N 3.3Å; L105-R107 PolarHBondContact O-N 2.95Å | |||
| 106 | D | 47.4 | Very low | 45.7 | Very low | 136 Ų | 136 | 145.1 Ų | 145.1 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | trans | -63.4 | 88.2 | 171.2 | -172.4 | 20.9 | 0 | 0 | 0 | 109.3 | K108 | D106-K108 PolarHBondContact O-N 3.39Å; D106-K108 IonicContact OD2-NZ 3.93Å | ||
| 107 | R | 45.4 | Very low | 46.3 | Very low | 230 Ų | 230 | 147.3 Ų | 147.3 | 87% | 0.868 | 80% | 0.797 | S | S | * | * | trans | -88.4 | 86.3 | 167.1 | -81.9 | -176.7 | 148.4 | 174.7 | -5.8 | 108.3 | L105 S109 | L105-R107 VanDerWaalsContact C-N 3.3Å; L105-R107 PolarHBondContact O-N 2.95Å; R107-S109 PolarHBondContact O-N 3.23Å | ||
| 108 | K | 49.7 | Very low | 47.1 | Very low | 169 Ų | 169 | 144.7 Ų | 144.7 | 74% | 0.735 | 78% | 0.781 | S | S | * | * | trans | -48.1 | 112.3 | 157.8 | -92.1 | 152.9 | 173.9 | 149.9 | 0 | 108.7 | D106 R110 | D106-K108 PolarHBondContact O-N 3.39Å; D106-K108 IonicContact OD2-NZ 3.93Å; K108-R110 PolarHBondContact O-N 2.75Å; K108-R110 VanDerWaalsContact O-N 3.09Å | ||
| 109 | S | 45.9 | Very low | 48.4 | Very low | 90 Ų | 90 | 147.5 Ų | 147.5 | 63% | 0.629 | 78% | 0.783 | S | S | * | * | trans | -59 | 109.9 | 170.4 | 168.8 | 0 | 0 | 0 | 0 | 108.6 | R107 M111 | R107-S109 PolarHBondContact O-N 3.23Å; S109-M111 PolarHBondContact O-N 3.21Å; S109-M111 PolarHBondContact OG-N 2.99Å | ||
| 110 | R | 52.5 | Low | 49.2 | Very low | 247 Ų | 247 | 152.7 Ų | 152.7 | 93% | 0.932 | 79% | 0.792 | S | S | * | * | trans | -83 | 39.8 | 168.2 | -70.4 | -170.8 | -178.7 | -140.6 | 2.9 | 111.5 | K108 | K108-R110 PolarHBondContact O-N 2.75Å; K108-R110 VanDerWaalsContact O-N 3.09Å | ||
| 111 | M | 43.7 | Very low | 49.8 | Very low | 146 Ų | 146 | 149 Ų | 149 | 72% | 0.719 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -117.2 | 116.8 | 166.2 | -63.4 | -133.6 | 72.9 | 0 | 0 | 106.8 | S109 K113 | S109-M111 PolarHBondContact O-N 3.21Å; S109-M111 PolarHBondContact OG-N 2.99Å; M111-K113 PolarHBondContact O-N 3.23Å |
| 112 | G | 52.2 | Low | 50.1 | Low | 94 Ų | 94 | 141.6 Ų | 141.6 | 97% | 0.969 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -65 | 28.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 113 | K | 54.8 | Low | 50.9 | Low | 184 Ų | 184 | 137 Ų | 137 | 80% | 0.8 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -124.7 | 105.7 | 169.5 | -73.9 | 171.3 | 178.5 | 175.1 | 0 | 105.7 | M111 | M111-K113 PolarHBondContact O-N 3.23Š|
| 114 | G | 54.6 | Low | 51.5 | Low | 70 Ų | 70 | 131.5 Ų | 131.5 | 72% | 0.722 | 72% | 0.721 | S | S | * | * | trans | -53.9 | 156.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | G116 | G114-G116 PolarHBondContact O-N 2.89Š| ||
| 115 | R | 56.6 | Low | 52.4 | Low | 223 Ų | 223 | 125.4 Ų | 125.4 | 84% | 0.842 | 70% | 0.696 | S | S | * | * | trans | -49.6 | 117.6 | 164.8 | -69.5 | -179.6 | 178 | -138.1 | -0.7 | 105.8 | L117 | R115-L117 HydrophobicContact CB-CD1 3.85Å; R115-L117 HydrophobicContact CB-CG 4.38Å; R115-L117 PolarHBondContact O-N 3.23Å | ||
| 116 | G | 55.7 | Low | 53.2 | Low | 86 Ų | 86 | 129.3 Ų | 129.3 | 89% | 0.887 | 71% | 0.706 | S | S | * | * | trans | -65 | 39.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | G114 | G114-G116 PolarHBondContact O-N 2.89Š| ||
| 117 | L | 55.8 | Low | 53.6 | Low | 128 Ų | 128 | 126.4 Ų | 126.4 | 67% | 0.67 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 132.6 | 169.7 | -76.5 | 153.3 | 0 | 0 | 0 | 107.8 | R115 K119 | R115-L117 HydrophobicContact CB-CD1 3.85Å; R115-L117 HydrophobicContact CB-CG 4.38Å; R115-L117 PolarHBondContact O-N 3.23Å; L117-K119 PolarHBondContact O-N 3.38Å |
| 118 | P | 56 | Low | 54.3 | Low | 80 Ų | 80 | 118.8 Ų | 118.8 | 52% | 0.519 | 69% | 0.687 | S | S | . | * | P | Polyproline II helix | trans | -57.6 | 127.9 | 176.1 | 21.6 | -29.7 | 0 | 0 | 0 | 109.2 | ||
| 119 | K | 60.6 | Low | 54.8 | Low | 176 Ų | 176 | 122.6 Ų | 122.6 | 77% | 0.765 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 142.3 | 171.5 | -80.4 | -178.1 | 175.3 | 175.9 | 0 | 108.6 | L117 G121 G122 | L117-K119 PolarHBondContact O-N 3.38Å; K119-G121 PolarHBondContact O-N 3.36Å; K119-G122 PolarHBondContact O-N 2.77Å |
| 120 | K | 52.9 | Low | 55.6 | Low | 219 Ų | 219 | 119.3 Ų | 119.3 | 95% | 0.952 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -44.5 | 112.4 | 177.7 | -83.4 | -174.7 | 173.1 | -177 | 0 | 109.3 | ||
| 121 | G | 58.3 | Low | 56.1 | Low | 43 Ų | 43 | 115 Ų | 115 | 44% | 0.443 | 66% | 0.661 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 117.1 | 3.3 | -171.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | K119 A123 R131 | K119-G121 PolarHBondContact O-N 3.36Å; G121-A123 VanDerWaalsContact C-N 3.31Å; G121-A123 PolarHBondContact O-N 2.89Å; G121-R131 PolarHBondContact O-NE 3.02Å |
| 122 | G | 51.9 | Low | 56.7 | Low | 46 Ų | 46 | 114.4 Ų | 114.4 | 47% | 0.474 | 67% | 0.671 | S | S | . | * | S | Bend | trans | 67.3 | 14.7 | 152.7 | 0 | 0 | 0 | 0 | 0 | 117.8 | K119 V128 | K119-G122 PolarHBondContact O-N 2.77Å; G122-V128 VanDerWaalsContact O-CG1 3.29Å; G122-V128 WeakPolarHBondContact O-CG1 3.41Å |
| 123 | A | 54 | Low | 57.2 | Low | 26 Ų | 26 | 113.6 Ų | 113.6 | 22% | 0.215 | 66% | 0.663 | C | S | . | * | trans | -133.8 | 5.1 | -169.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | G121 G130 R131 | G121-A123 VanDerWaalsContact C-N 3.31Å; G121-A123 PolarHBondContact O-N 2.89Å; A123-G130 VanDerWaalsContact CB-C 3.41Å; A123-R131 HydrophobicContact CB-CB 3.76Å; A123-R131 HydrophobicContact CB-CG 3.54Å; A123-R131 VanDerWaalsContact CB-N 3.31Å | ||
| 124 | G | 55.8 | Low | 57.8 | Low | 67 Ų | 67 | 110.5 Ų | 110.5 | 69% | 0.691 | 65% | 0.651 | S | S | * | * | trans | -121.5 | 28.8 | -171.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 125 | G | 60.7 | Low | 58 | Low | 27 Ų | 27 | 113.5 Ų | 113.5 | 28% | 0.278 | 66% | 0.656 | S | S | . | * | S | Bend | trans | -107.8 | 145.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | G127 V128 | G125-G127 PolarHBondContact O-N 3.21Å; G125-G127 VanDerWaalsContact O-N 3.07Å; G125-V128 PolarHBondContact O-N 3.44Å |
| 126 | K | 53.3 | Low | 58.4 | Low | 229 Ų | 229 | 110.9 Ų | 110.9 | 100% | 0.996 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.7 | 114.1 | 171.8 | -164.8 | 176.3 | -175.4 | -179 | 0 | 108.5 | ||
| 127 | G | 56.4 | Low | 58.6 | Low | 75 Ų | 75 | 115 Ų | 115 | 77% | 0.773 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 99 | 10.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | G125 | G125-G127 PolarHBondContact O-N 3.21Å; G125-G127 VanDerWaalsContact O-N 3.07Å |
| 128 | V | 58.9 | Low | 58.8 | Low | 70 Ų | 70 | 114.9 Ų | 114.9 | 42% | 0.424 | 65% | 0.65 | S | S | . | * | trans | -109.3 | 137.6 | 174.3 | -170.6 | 0 | 0 | 0 | 0 | 109.9 | G122 G125 G130 | G122-V128 VanDerWaalsContact O-CG1 3.29Å; G122-V128 WeakPolarHBondContact O-CG1 3.41Å; G125-V128 PolarHBondContact O-N 3.44Å; V128-G130 PolarHBondContact O-N 3.08Å | ||
| 129 | W | 59.5 | Low | 59.2 | Low | 249 Ų | 249 | 117 Ų | 117 | 94% | 0.943 | 66% | 0.661 | S | S | * | * | trans | -74.9 | 24 | -171 | -69.2 | 59.7 | 0 | 0 | 0 | 114.6 | ||||
| 130 | G | 64.5 | Low | 59.3 | Low | 20 Ų | 20 | 117.5 Ų | 117.5 | 21% | 0.206 | 67% | 0.666 | C | S | . | * | trans | 70.4 | -172.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | A123 V128 | A123-G130 VanDerWaalsContact CB-C 3.41Å; V128-G130 PolarHBondContact O-N 3.08Å | ||
| 131 | R | 62.2 | Low | 59.9 | Low | 156 Ų | 156 | 111.3 Ų | 111.3 | 59% | 0.589 | 65% | 0.646 | S | S | * | * | trans | -85.5 | 132.9 | 179.1 | -117.4 | 165.1 | -164 | -132.8 | 13 | 108.5 | G121 A123 G133 E134 | G121-R131 PolarHBondContact O-NE 3.02Å; A123-R131 HydrophobicContact CB-CB 3.76Å; A123-R131 HydrophobicContact CB-CG 3.54Å; A123-R131 VanDerWaalsContact CB-N 3.31Å; R131-G133 PolarHBondContact O-N 3.44Å; R131-G133 VanDerWaalsContact O-N 3.16Å; R131-E134 PolarHBondContact O-N 2.94Å | ||
| 132 | S | 55.3 | Low | 60.7 | Low | 134 Ų | 134 | 114.1 Ų | 114.1 | 94% | 0.937 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.3 | 121.1 | 174.8 | -51.7 | 0 | 0 | 0 | 0 | 110.3 | ||
| 133 | G | 64.3 | Low | 61.8 | Low | 77 Ų | 77 | 118.8 Ų | 118.8 | 79% | 0.794 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 97.3 | 5.5 | 180 | 0 | 0 | 0 | 0 | 0 | 115.9 | R131 V135 | R131-G133 PolarHBondContact O-N 3.44Å; R131-G133 VanDerWaalsContact O-N 3.16Å; G133-V135 PolarHBondContact O-N 3.38Å |
| 134 | E | 66.9 | Low | 62.8 | Low | 119 Ų | 119 | 126.5 Ų | 126.5 | 56% | 0.556 | 69% | 0.687 | S | S | * | * | trans | -74.7 | 111 | 170.3 | -163.7 | 162.5 | -164.9 | 0 | 0 | 109.4 | R131 Y136 | R131-E134 PolarHBondContact O-N 2.94Å; E134-Y136 PolarHBondContact O-N 3.39Å | ||
| 135 | V | 58.1 | Low | 63.8 | Low | 134 Ų | 134 | 127.1 Ų | 127.1 | 81% | 0.812 | 68% | 0.675 | S | S | * | * | trans | -80.9 | 111.6 | 173.9 | -178.6 | 0 | 0 | 0 | 0 | 106.7 | G133 E137 | G133-V135 PolarHBondContact O-N 3.38Å; V135-E137 PolarHBondContact O-N 2.75Å | ||
| 136 | Y | 64.5 | Low | 64.7 | Low | 167 Ų | 167 | 132 Ų | 132 | 66% | 0.655 | 70% | 0.701 | S | S | * | * | trans | -62.2 | 134.7 | 173.8 | -64.6 | -84.6 | 0 | 0 | 0 | 109.2 | E134 | E134-Y136 PolarHBondContact O-N 3.39Š| ||
| 137 | E | 61 | Low | 65.6 | Low | 172 Ų | 172 | 127.7 Ų | 127.7 | 80% | 0.804 | 69% | 0.69 | S | S | * | * | trans | -59.8 | 145.4 | 166.8 | -69.7 | -178.4 | 166.2 | 0 | 0 | 108.9 | V135 V139 | V135-E137 PolarHBondContact O-N 2.75Å; E137-V139 PolarHBondContact O-N 3.21Å | ||
| 138 | P | 59.1 | Low | 66.3 | Low | 127 Ų | 127 | 126.2 Ų | 126.2 | 83% | 0.825 | 66% | 0.662 | S | S | * | * | trans | -53.7 | 114.1 | 175.8 | -20.3 | 30.3 | 0 | 0 | 0 | 108.9 | E140 | P138-E140 PolarHBondContact O-N 2.66Š| ||
| 139 | V | 64.8 | Low | 66.9 | Low | 124 Ų | 124 | 126.9 Ų | 126.9 | 75% | 0.752 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 116.9 | 177.7 | 179.5 | 0 | 0 | 0 | 0 | 106.9 | E137 V141 | E137-V139 PolarHBondContact O-N 3.21Å; V139-V141 PolarHBondContact O-N 3.26Å |
| 140 | E | 63 | Low | 67.2 | Low | 186 Ų | 186 | 121.8 Ų | 121.8 | 87% | 0.869 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 119.7 | 170.7 | -68.9 | -175.4 | 170.1 | 0 | 0 | 108.6 | P138 D142 | P138-E140 PolarHBondContact O-N 2.66Å; E140-D142 PolarHBondContact O-N 2.87Å |
| 141 | V | 66.6 | Low | 67.2 | Low | 89 Ų | 89 | 126.9 Ų | 126.9 | 54% | 0.539 | 67% | 0.672 | S | S | . | * | P | Polyproline II helix | trans | -72.1 | 121.8 | -178.5 | -168.8 | 0 | 0 | 0 | 0 | 108.8 | V139 K143 F148 | V139-V141 PolarHBondContact O-N 3.26Å; V141-K143 PolarHBondContact O-N 2.94Å; V141-K143 VanDerWaalsContact O-N 3.1Å; V141-F148 HydrophobicContact CB-CE2 4.23Å; V141-F148 HydrophobicContact CG1-CD2 3.49Å; V141-F148 VanDerWaalsContact CG1-CD2 3.49Å; V141-F148 HydrophobicContact CG1-CE2 3.4Å |
| 142 | D | 74.2 | Confident | 67.1 | Low | 103 Ų | 103 | 124.7 Ų | 124.7 | 55% | 0.551 | 67% | 0.669 | S | S | * | * | trans | -73.9 | 101.2 | 178.9 | -174.9 | 0.5 | 0 | 0 | 0 | 110.2 | E140 K144 D145 | E140-D142 PolarHBondContact O-N 2.87Å; D142-K144 PolarHBondContact O-N 2.86Å; D142-K144 WeakPolarHBondContact OD1-CB 3.48Å; D142-K144 PolarHBondContact OD1-N 2.91Å; D142-D145 WeakPolarHBondContact O-CB 3.39Å; D142-D145 PolarHBondContact O-N 2.93Å | ||
| 143 | K | 74.6 | Confident | 67.2 | Low | 144 Ų | 144 | 124.7 Ų | 124.7 | 63% | 0.626 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.6 | -5.9 | 179.5 | -56.8 | -168.1 | 174.6 | -165.5 | 0 | 114.5 | V141 F148 | V141-K143 PolarHBondContact O-N 2.94Å; V141-K143 VanDerWaalsContact O-N 3.1Å; K143-F148 HydrophobicContact CB-CD1 4.14Å; K143-F148 HydrophobicContact CB-CE1 3.81Å; K143-F148 HydrophobicContact CB-CZ 4.23Å; K143-F148 HydrophobicContact CD-CE1 4.46Å; K143-F148 HydrophobicContact CD-CZ 4.41Å; K143-F148 HydrophobicContact CG-CE1 3.85Å; K143-F148 HydrophobicContact CG-CE2 4.39Å; K143-F148 HydrophobicContact CG-CZ 3.78Å |
| 144 | K | 74.4 | Confident | 66.9 | Low | 187 Ų | 187 | 128 Ų | 128 | 81% | 0.813 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.2 | 2.7 | 176.8 | -64.4 | -179.6 | -179.2 | 174.9 | 0 | 113 | D142 | D142-K144 PolarHBondContact O-N 2.86Å; D142-K144 WeakPolarHBondContact OD1-CB 3.48Å; D142-K144 PolarHBondContact OD1-N 2.91Å |
| 145 | D | 78.2 | Confident | 66.4 | Low | 80 Ų | 80 | 125.5 Ų | 125.5 | 43% | 0.428 | 65% | 0.648 | S | S | . | * | trans | -63.7 | 128.1 | 172.2 | -170.6 | -28.5 | 0 | 0 | 0 | 109 | D142 N147 F148 | D142-D145 WeakPolarHBondContact O-CB 3.39Å; D142-D145 PolarHBondContact O-N 2.93Å; D145-N147 PolarHBondContact O-N 3.19Å; D145-N147 VanDerWaalsContact O-N 3.08Å; D145-N147 PolarHBondContact OD1-N 3.25Å; D145-F148 HydrophobicContact CB-CB 4.03Å; D145-F148 WeakPolarHBondContact O-CB 3.36Å; D145-F148 PolarHBondContact O-N 3.28Å | ||
| 146 | P | 78.1 | Confident | 66.6 | Low | 129 Ų | 129 | 125.8 Ų | 125.8 | 84% | 0.838 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.5 | -18.1 | 174.5 | -23.8 | 32.9 | 0 | 0 | 0 | 114.7 | ||
| 147 | N | 72.9 | Confident | 66.6 | Low | 140 Ų | 140 | 126.5 Ų | 126.5 | 75% | 0.749 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.7 | 2.9 | 172.4 | -75 | -5.5 | 0 | 0 | 0 | 113.3 | D145 D149 | D145-N147 PolarHBondContact O-N 3.19Å; D145-N147 VanDerWaalsContact O-N 3.08Å; D145-N147 PolarHBondContact OD1-N 3.25Å; N147-D149 PolarHBondContact O-N 2.84Å |
| 148 | F | 72.4 | Confident | 66.6 | Low | 44 Ų | 44 | 126.1 Ų | 126.1 | 19% | 0.193 | 65% | 0.651 | C | S | . | * | trans | -72 | 118.8 | 173.4 | -179.2 | -108.2 | 0 | 0 | 0 | 109.3 | V141 K143 D145 E150 | V141-F148 HydrophobicContact CB-CE2 4.23Å; V141-F148 HydrophobicContact CG1-CD2 3.49Å; V141-F148 VanDerWaalsContact CG1-CD2 3.49Å; V141-F148 HydrophobicContact CG1-CE2 3.4Å; K143-F148 HydrophobicContact CB-CD1 4.14Å; K143-F148 HydrophobicContact CB-CE1 3.81Å; K143-F148 HydrophobicContact CB-CZ 4.23Å; K143-F148 HydrophobicContact CD-CE1 4.46Å; K143-F148 HydrophobicContact CD-CZ 4.41Å; K143-F148 HydrophobicContact CG-CE1 3.85Å; K143-F148 HydrophobicContact CG-CE2 4.39Å; K143-F148 HydrophobicContact CG-CZ 3.78Å; D145-F148 HydrophobicContact CB-CB 4.03Å; D145-F148 WeakPolarHBondContact O-CB 3.36Å; D145-F148 PolarHBondContact O-N 3.28Å; F148-E150 HydrophobicContact CD1-CG 4.17Å; F148-E150 HydrophobicContact CE1-CG 3.45Å; F148-E150 VanDerWaalsContact CE1-CG 3.45Å; F148-E150 HydrophobicContact CZ-CG 4.14Å | ||
| 149 | D | 71.1 | Confident | 66.7 | Low | 84 Ų | 84 | 125.5 Ų | 125.5 | 45% | 0.449 | 65% | 0.645 | S | S | . | * | trans | -115.1 | 112.6 | 177.4 | -169.8 | -7.5 | 0 | 0 | 0 | 108.3 | N147 D151 Q152 | N147-D149 PolarHBondContact O-N 2.84Å; D149-D151 PolarHBondContact O-N 3.42Å; D149-D151 PolarHBondContact OD1-N 3.41Å; D149-Q152 HydrophobicContact CB-CB 4.23Å; D149-Q152 VanDerWaalsContact O-CB 3.26Å; D149-Q152 WeakPolarHBondContact O-CB 3.2Å; D149-Q152 PolarHBondContact O-N 3.34Å; D149-Q152 VanDerWaalsContact O-N 3.11Å | ||
| 150 | E | 65.5 | Low | 66.4 | Low | 142 Ų | 142 | 125.3 Ų | 125.3 | 66% | 0.664 | 64% | 0.644 | S | S | * | * | G | 310 helix | trans | -62.1 | -24.5 | -178.6 | -74.7 | -174 | 168.4 | 0 | 0 | 112 | F148 Q152 | F148-E150 HydrophobicContact CD1-CG 4.17Å; F148-E150 HydrophobicContact CE1-CG 3.45Å; F148-E150 VanDerWaalsContact CE1-CG 3.45Å; F148-E150 HydrophobicContact CZ-CG 4.14Å; E150-Q152 VanDerWaalsContact C-N 3.27Å; E150-Q152 PolarHBondContact O-N 3.29Å |
| 151 | D | 65.1 | Low | 66.6 | Low | 126 Ų | 126 | 120.7 Ų | 120.7 | 67% | 0.674 | 63% | 0.628 | S | S | * | * | G | 310 helix | trans | -79.3 | -10.4 | 179.5 | -65.9 | -31.3 | 0 | 0 | 0 | 112.7 | D149 C155 | D149-D151 PolarHBondContact O-N 3.42Å; D149-D151 PolarHBondContact OD1-N 3.41Å; D151-C155 PolarHBondContact O-SG 3.33Å; D151-C155 VanDerWaalsContact O-SG 3.37Å |
| 152 | Q | 59.8 | Low | 66.6 | Low | 110 Ų | 110 | 121 Ų | 121 | 51% | 0.514 | 63% | 0.632 | S | S | . | * | G | 310 helix | trans | -78 | -27.1 | -178.7 | -143.3 | 172.5 | 21.5 | 0 | 0 | 112.7 | D149 E150 N154 C155 | D149-Q152 HydrophobicContact CB-CB 4.23Å; D149-Q152 VanDerWaalsContact O-CB 3.26Å; D149-Q152 WeakPolarHBondContact O-CB 3.2Å; D149-Q152 PolarHBondContact O-N 3.34Å; D149-Q152 VanDerWaalsContact O-N 3.11Å; E150-Q152 VanDerWaalsContact C-N 3.27Å; E150-Q152 PolarHBondContact O-N 3.29Å; Q152-N154 PolarHBondContact O-N 3.46Å; Q152-C155 PolarHBondContact O-N 3.49Å |
| 153 | E | 56.8 | Low | 66.6 | Low | 134 Ų | 134 | 119.8 Ų | 119.8 | 63% | 0.626 | 63% | 0.63 | S | S | * | * | G | 310 helix | trans | -66.7 | -20.9 | 176.3 | -73.1 | -173 | 172.9 | 0 | 0 | 112.8 | ||
| 154 | N | 57.6 | Low | 66.8 | Low | 147 Ų | 147 | 114.7 Ų | 114.7 | 79% | 0.786 | 61% | 0.609 | S | S | * | * | G | 310 helix | trans | -106 | 9.1 | -177.2 | -136 | 37.4 | 0 | 0 | 0 | 113.5 | Q152 V156 | Q152-N154 PolarHBondContact O-N 3.46Å; N154-V156 PolarHBondContact O-N 2.98Å |
| 155 | C | 55.9 | Low | 67.1 | Low | 66 Ų | 66 | 111.1 Ų | 111.1 | 45% | 0.446 | 60% | 0.599 | S | S | . | * | trans | -80.1 | 101.5 | 177.8 | -77.7 | 0 | 0 | 0 | 0 | 110.7 | D151 Q152 Y157 | D151-C155 PolarHBondContact O-SG 3.33Å; D151-C155 VanDerWaalsContact O-SG 3.37Å; Q152-C155 PolarHBondContact O-N 3.49Å; C155-Y157 HydrophobicContact CB-CE2 4.22Å; C155-Y157 WeakPolarHBondContact O-CD2 3.25Å; C155-Y157 PolarHBondContact O-N 2.98Å | ||
| 156 | V | 62.8 | Low | 67.1 | Low | 141 Ų | 141 | 114.7 Ų | 114.7 | 86% | 0.855 | 61% | 0.613 | S | S | * | * | trans | -73.6 | 103.5 | 167.3 | -179.2 | 0 | 0 | 0 | 0 | 108.1 | N154 E158 | N154-V156 PolarHBondContact O-N 2.98Å; V156-E158 PolarHBondContact O-N 3.04Å; V156-E158 VanDerWaalsContact O-N 3.15Å | ||
| 157 | Y | 64.4 | Low | 67.1 | Low | 181 Ų | 181 | 118.8 Ų | 118.8 | 71% | 0.71 | 61% | 0.612 | S | S | * | * | trans | -73.7 | 101.8 | 171.2 | -64.4 | -80.8 | 0 | 0 | 0 | 109.2 | C155 T159 | C155-Y157 HydrophobicContact CB-CE2 4.22Å; C155-Y157 WeakPolarHBondContact O-CD2 3.25Å; C155-Y157 PolarHBondContact O-N 2.98Å; Y157-T159 PolarHBondContact O-N 2.84Å | ||
| 158 | E | 61.2 | Low | 67.8 | Low | 165 Ų | 165 | 115.4 Ų | 115.4 | 77% | 0.771 | 59% | 0.594 | S | S | * | * | trans | -73.3 | 120.2 | 165.7 | -171.5 | 172.5 | -172.4 | 0 | 0 | 108.4 | V156 V160 | V156-E158 PolarHBondContact O-N 3.04Å; V156-E158 VanDerWaalsContact O-N 3.15Å; E158-V160 VanDerWaalsContact C-N 3.34Å; E158-V160 PolarHBondContact O-N 3.48Å | ||
| 159 | T | 61.5 | Low | 68.7 | Low | 114 Ų | 114 | 113.6 Ų | 113.6 | 70% | 0.699 | 59% | 0.586 | S | S | * | * | trans | -69.5 | 94.2 | 172.5 | 47.3 | 0 | 0 | 0 | 0 | 108.8 | Y157 V161 | Y157-T159 PolarHBondContact O-N 2.84Å; T159-V161 PolarHBondContact O-N 2.97Å; T159-V161 VanDerWaalsContact O-N 3.13Å | ||
| 160 | V | 59.5 | Low | 69.6 | Low | 120 Ų | 120 | 115.6 Ų | 115.6 | 73% | 0.727 | 59% | 0.592 | S | S | * | * | trans | -72.8 | 103.7 | 172.2 | -177 | 0 | 0 | 0 | 0 | 108 | E158 P162 | E158-V160 VanDerWaalsContact C-N 3.34Å; E158-V160 PolarHBondContact O-N 3.48Å; V160-P162 VanDerWaalsContact O-CD 3.28Å; V160-P162 WeakPolarHBondContact O-CD 3.43Å | ||
| 161 | V | 65.9 | Low | 70.9 | Confident | 89 Ų | 89 | 115.9 Ų | 115.9 | 54% | 0.539 | 59% | 0.591 | S | S | . | * | trans | -77.4 | 112 | 168.7 | -179.5 | 0 | 0 | 0 | 0 | 106.9 | T159 N197 | T159-V161 PolarHBondContact O-N 2.97Å; T159-V161 VanDerWaalsContact O-N 3.13Å; V161-N197 PolarHBondContact O-ND2 2.68Å | ||
| 162 | P | 66.4 | Low | 72.2 | Confident | 95 Ų | 95 | 111.9 Ų | 111.9 | 62% | 0.617 | 57% | 0.572 | S | S | * | * | P | Polyproline II helix | trans | -60 | 148.4 | 178.4 | 23.9 | -31.2 | 0 | 0 | 0 | 110.3 | V160 | V160-P162 VanDerWaalsContact O-CD 3.28Å; V160-P162 WeakPolarHBondContact O-CD 3.43Å |
| 163 | P | 74.3 | Confident | 73.8 | Confident | 77 Ų | 77 | 106.7 Ų | 106.7 | 50% | 0.5 | 55% | 0.548 | S | S | . | . | P | Polyproline II helix | trans | -59.2 | 147.5 | 176.4 | 26.6 | -33.8 | 0 | 0 | 0 | 110.3 | D165 N197 | P163-D165 PolarHBondContact O-N 2.86Å; P163-N197 WeakPolarHBondContact CA-O 3.47Å |
| 164 | L | 79 | Confident | 75.7 | Confident | 37 Ų | 37 | 101.7 Ų | 101.7 | 19% | 0.194 | 53% | 0.526 | C | S | . | . | P | Polyproline II helix | trans | -61.7 | 131.9 | 179.1 | -173 | 63.1 | 0 | 0 | 0 | 110.8 | D168 F169 T172 L198 | L164-D168 HydrophobicContact CD1-CB 4.22Å; L164-F169 HydrophobicContact CD2-CB 4.36Å; L164-F169 HydrophobicContact CD2-CD2 4.18Å; L164-T172 HydrophobicContact CD2-CG2 4.47Å; L164-L198 HydrophobicContact CD2-CD2 3.89Å |
| 165 | D | 81.9 | Confident | 77.5 | Confident | 112 Ų | 112 | 97.1 Ų | 97.1 | 60% | 0.599 | 50% | 0.504 | S | S | * | . | P | Polyproline II helix | trans | -72.2 | 144.8 | 176.9 | -76 | -29.1 | 0 | 0 | 0 | 111.5 | P163 R167 D168 F169 | P163-D165 PolarHBondContact O-N 2.86Å; D165-R167 PolarHBondContact O-N 2.99Å; D165-R167 VanDerWaalsContact O-N 3.08Å; D165-D168 PolarHBondContact O-N 3.4Å; D165-F169 PolarHBondContact O-N 3.37Å |
| 166 | E | 78.3 | Confident | 79.5 | Confident | 155 Ų | 155 | 94.8 Ų | 94.8 | 72% | 0.724 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -53.9 | -34.9 | 179.6 | -68.2 | 176.6 | 178.5 | 0 | 0 | 113.5 | D168 F169 M201 | E166-D168 VanDerWaalsContact C-N 3.26Å; E166-D168 PolarHBondContact O-N 2.94Å; E166-F169 PolarHBondContact O-N 3.46Å; E166-M201 HydrophobicContact CB-CE 4.13Å; E166-M201 HydrophobicContact CB-SD 4.29Å; E166-M201 HydrophobicContact CG-CE 3.83Å; E166-M201 HydrophobicContact CG-SD 3.75Å |
| 167 | R | 77.8 | Confident | 81.1 | Confident | 215 Ų | 215 | 88.1 Ų | 88.1 | 81% | 0.811 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -70.9 | -22 | -178.2 | -61.2 | -178.4 | -174.8 | -178.6 | 2.4 | 113.8 | D165 | D165-R167 PolarHBondContact O-N 2.99Å; D165-R167 VanDerWaalsContact O-N 3.08Å |
| 168 | D | 86.5 | Confident | 82.6 | Confident | 69 Ų | 69 | 84.5 Ų | 84.5 | 37% | 0.369 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -109.6 | -8.7 | -178.3 | -67.8 | -27.7 | 0 | 0 | 0 | 111.9 | L164 D165 E166 K171 T172 | L164-D168 HydrophobicContact CD1-CB 4.22Å; D165-D168 PolarHBondContact O-N 3.4Å; E166-D168 VanDerWaalsContact C-N 3.26Å; E166-D168 PolarHBondContact O-N 2.94Å; D168-K171 PolarHBondContact O-N 3.07Å; D168-K171 IonicContact OD1-NZ 3.09Å; D168-K171 PolarHBondContact OD1-NZ 3.35Å; D168-T172 VanDerWaalsContact O-CB 3.31Å; D168-T172 WeakPolarHBondContact O-CB 3.5Å; D168-T172 PolarHBondContact O-N 3.01Å; D168-T172 PolarHBondContact O-OG1 3.18Å |
| 169 | F | 90.9 | Very high | 84.2 | Confident | 7 Ų | 7 | 82 Ų | 82 | 3% | 0.031 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -53.5 | -60.7 | 174 | 178 | -96 | 0 | 0 | 0 | 112.1 | L164 D165 E166 K171 T172 V173 L198 M201 E204 V205 L208 | L164-F169 HydrophobicContact CD2-CB 4.36Å; L164-F169 HydrophobicContact CD2-CD2 4.18Å; D165-F169 PolarHBondContact O-N 3.37Å; E166-F169 PolarHBondContact O-N 3.46Å; F169-K171 VanDerWaalsContact C-N 3.33Å; F169-K171 PolarHBondContact O-N 2.95Å; F169-T172 PolarHBondContact O-N 3.01Å; F169-V173 HydrophobicContact CD2-CG2 3.95Å; F169-V173 HydrophobicContact CE1-CB 4.49Å; F169-V173 HydrophobicContact CE1-CG2 4.42Å; F169-V173 HydrophobicContact CE2-CG2 3.68Å; F169-V173 HydrophobicContact CG-CG2 4.43Å; F169-V173 HydrophobicContact CZ-CB 4.32Å; F169-V173 HydrophobicContact CZ-CG1 4.41Å; F169-V173 HydrophobicContact CZ-CG2 3.92Å; F169-V173 WeakPolarHBondContact O-CG2 3.34Å; F169-V173 PolarHBondContact O-N 3Å; F169-L198 HydrophobicContact CD2-CD2 4.21Å; F169-L198 HydrophobicContact CE2-CD2 4.08Å; F169-M201 HydrophobicContact CB-CE 3.42Å; F169-M201 VanDerWaalsContact CB-CE 3.42Å; F169-M201 HydrophobicContact CB-SD 4.05Å; F169-M201 HydrophobicContact CD1-CE 3.88Å; F169-M201 HydrophobicContact CD2-CB 4.08Å; F169-M201 HydrophobicContact CD2-CE 3.66Å; F169-M201 HydrophobicContact CD2-SD 4.11Å; F169-M201 HydrophobicContact CE2-CB 4.13Å; F169-M201 HydrophobicContact CE2-CE 4.4Å; F169-M201 HydrophobicContact CG-CE 3.36Å; F169-M201 HydrophobicContact CG-SD 4.24Å; F169-E204 HydrophobicContact CD1-CB 4.39Å; F169-E204 HydrophobicContact CE1-CB 3.59Å; F169-E204 HydrophobicContact CE2-CB 4.17Å; F169-E204 HydrophobicContact CZ-CB 3.47Å; F169-E204 VanDerWaalsContact CZ-CB 3.47Å; F169-V205 HydrophobicContact CE2-CG2 3.96Å; F169-V205 HydrophobicContact CZ-CG2 3.78Å; F169-L208 HydrophobicContact CD1-CD2 4.42Å; F169-L208 HydrophobicContact CE1-CB 4.46Å; F169-L208 HydrophobicContact CE1-CD2 3.82Å |
| 170 | E | 91 | Very high | 85.9 | Confident | 125 Ų | 125 | 76.6 Ų | 76.6 | 58% | 0.584 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -60.3 | -43.9 | -178.3 | -68.6 | 179.5 | -178.6 | 0 | 0 | 111.3 | T172 V173 T174 | E170-T172 PolarHBondContact O-N 3.28Å; E170-T172 VanDerWaalsContact O-N 3.1Å; E170-V173 PolarHBondContact O-N 3.24Å; E170-T174 WeakPolarHBondContact O-CB 3.29Å; E170-T174 PolarHBondContact O-N 2.99Å; E170-T174 PolarHBondContact O-OG1 3.29Å |
| 171 | K | 91.9 | Very high | 87.6 | Confident | 148 Ų | 148 | 71.8 Ų | 71.8 | 64% | 0.643 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -60.9 | -25.8 | 178.8 | -65.5 | 178.4 | -166.8 | 149.9 | 0 | 113.4 | D168 F169 P175 | D168-K171 PolarHBondContact O-N 3.07Å; D168-K171 IonicContact OD1-NZ 3.09Å; D168-K171 PolarHBondContact OD1-NZ 3.35Å; F169-K171 VanDerWaalsContact C-N 3.33Å; F169-K171 PolarHBondContact O-N 2.95Å; K171-P175 VanDerWaalsContact O-CD 3.3Å; K171-P175 WeakPolarHBondContact O-CD 3.32Å; K171-P175 WeakPolarHBondContact O-CG 3.27Å |
| 172 | T | 92.8 | Very high | 88.9 | Confident | 43 Ų | 43 | 74.4 Ų | 74.4 | 26% | 0.264 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -93.4 | -42.9 | -178.7 | -52.9 | 0 | 0 | 0 | 0 | 111.5 | L164 D168 F169 E170 P175 I176 L196 | L164-T172 HydrophobicContact CD2-CG2 4.47Å; D168-T172 VanDerWaalsContact O-CB 3.31Å; D168-T172 WeakPolarHBondContact O-CB 3.5Å; D168-T172 PolarHBondContact O-N 3.01Å; D168-T172 PolarHBondContact O-OG1 3.18Å; F169-T172 PolarHBondContact O-N 3.01Å; E170-T172 PolarHBondContact O-N 3.28Å; E170-T172 VanDerWaalsContact O-N 3.1Å; T172-P175 WeakPolarHBondContact O-CD 3.42Å; T172-P175 WeakPolarHBondContact O-CG 3.46Å; T172-I176 WeakPolarHBondContact O-CD1 3.42Å; T172-I176 WeakPolarHBondContact O-CG1 3.36Å; T172-L196 HydrophobicContact CG2-CD1 3.81Å; T172-L196 HydrophobicContact CG2-CD2 3.63Å; T172-L196 HydrophobicContact CG2-CG 4.4Å |
| 173 | V | 94.5 | Very high | 90.1 | Very high | 1 Ų | 1 | 73 Ų | 73 | 1% | 0.006 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -84.7 | -36 | -174.3 | -179.7 | 0 | 0 | 0 | 0 | 112.5 | F169 E170 I176 V177 L193 V205 L208 | F169-V173 HydrophobicContact CD2-CG2 3.95Å; F169-V173 HydrophobicContact CE1-CB 4.49Å; F169-V173 HydrophobicContact CE1-CG2 4.42Å; F169-V173 HydrophobicContact CE2-CG2 3.68Å; F169-V173 HydrophobicContact CG-CG2 4.43Å; F169-V173 HydrophobicContact CZ-CB 4.32Å; F169-V173 HydrophobicContact CZ-CG1 4.41Å; F169-V173 HydrophobicContact CZ-CG2 3.92Å; F169-V173 WeakPolarHBondContact O-CG2 3.34Å; F169-V173 PolarHBondContact O-N 3Å; E170-V173 PolarHBondContact O-N 3.24Å; V173-I176 WeakPolarHBondContact O-CB 3.46Å; V173-I176 PolarHBondContact O-N 3.31Å; V173-I176 VanDerWaalsContact O-N 3.09Å; V173-V177 HydrophobicContact CG1-CG2 4.14Å; V173-V177 PolarHBondContact O-N 3.16Å; V173-L193 HydrophobicContact CG1-CD2 4.37Å; V173-L193 HydrophobicContact CG2-CD2 4.42Å; V173-V205 HydrophobicContact CG1-CG1 4.32Å; V173-V205 HydrophobicContact CG1-CG2 4.42Å; V173-L208 HydrophobicContact CB-CD2 3.86Å; V173-L208 HydrophobicContact CG1-CD2 3.79Å |
| 174 | T | 95.4 | Very high | 90.9 | Very high | 29 Ų | 29 | 70.6 Ų | 70.6 | 18% | 0.178 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -53.3 | -49.8 | 177 | -63.4 | 0 | 0 | 0 | 0 | 113.3 | E170 I176 V177 Q178 L212 | E170-T174 WeakPolarHBondContact O-CB 3.29Å; E170-T174 PolarHBondContact O-N 2.99Å; E170-T174 PolarHBondContact O-OG1 3.29Å; T174-I176 VanDerWaalsContact C-N 3.29Å; T174-I176 PolarHBondContact O-N 2.53Å; T174-V177 PolarHBondContact O-N 2.97Å; T174-Q178 HydrophobicContact CG2-CG 4.25Å; T174-Q178 WeakPolarHBondContact O-CB 3.38Å; T174-Q178 VanDerWaalsContact O-CG 3.31Å; T174-Q178 WeakPolarHBondContact O-CG 3.41Å; T174-Q178 PolarHBondContact O-N 3.37Å; T174-L212 HydrophobicContact CG2-CD1 4.07Å; T174-L212 HydrophobicContact CG2-CD2 4.12Å |
| 175 | P | 96.6 | Very high | 91.7 | Very high | 50 Ų | 50 | 72 Ų | 72 | 33% | 0.325 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -64.6 | -32.3 | 178.2 | 24.9 | -34.1 | 0 | 0 | 0 | 112.7 | K171 T172 Q178 E179 | K171-P175 VanDerWaalsContact O-CD 3.3Å; K171-P175 WeakPolarHBondContact O-CD 3.32Å; K171-P175 WeakPolarHBondContact O-CG 3.27Å; T172-P175 WeakPolarHBondContact O-CD 3.42Å; T172-P175 WeakPolarHBondContact O-CG 3.46Å; P175-Q178 PolarHBondContact O-N 3.1Å; P175-E179 WeakPolarHBondContact O-CB 3.3Å; P175-E179 VanDerWaalsContact O-CG 3.3Å; P175-E179 WeakPolarHBondContact O-CG 3.11Å; P175-E179 PolarHBondContact O-N 3.49Å |
| 176 | I | 96.3 | Very high | 92.3 | Very high | 18 Ų | 18 | 67.5 Ų | 67.5 | 9% | 0.092 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63.2 | -46.9 | 176.4 | -62.1 | 170 | 0 | 0 | 0 | 110.3 | T172 V173 T174 E179 Y180 V189 L192 L196 | T172-I176 WeakPolarHBondContact O-CD1 3.42Å; T172-I176 WeakPolarHBondContact O-CG1 3.36Å; V173-I176 WeakPolarHBondContact O-CB 3.46Å; V173-I176 PolarHBondContact O-N 3.31Å; V173-I176 VanDerWaalsContact O-N 3.09Å; T174-I176 VanDerWaalsContact C-N 3.29Å; T174-I176 PolarHBondContact O-N 2.53Å; I176-E179 PolarHBondContact O-N 3.05Å; I176-Y180 WeakPolarHBondContact O-CB 3.48Å; I176-Y180 PolarHBondContact O-N 2.95Å; I176-V189 HydrophobicContact CG2-CB 4.47Å; I176-V189 HydrophobicContact CG2-CG1 4.01Å; I176-V189 HydrophobicContact CG2-CG2 4.31Å; I176-L192 HydrophobicContact CD1-CB 4.17Å; I176-L192 HydrophobicContact CG1-CD1 4.3Å; I176-L192 HydrophobicContact CG2-CB 4.34Å; I176-L192 HydrophobicContact CG2-CD1 3.98Å; I176-L196 HydrophobicContact CD1-CD1 3.68Å |
| 177 | V | 96.6 | Very high | 93.1 | Very high | 1 Ų | 1 | 65.1 Ų | 65.1 | 1% | 0.006 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -67.5 | -39 | 178.1 | 178.8 | 0 | 0 | 0 | 0 | 111.5 | V173 T174 Y180 F181 A209 L212 | V173-V177 HydrophobicContact CG1-CG2 4.14Å; V173-V177 PolarHBondContact O-N 3.16Å; T174-V177 PolarHBondContact O-N 2.97Å; V177-Y180 WeakPolarHBondContact O-CB 3.42Å; V177-Y180 PolarHBondContact O-N 3.32Å; V177-F181 HydrophobicContact CG1-CE1 4.09Å; V177-F181 HydrophobicContact CG1-CE2 4.09Å; V177-F181 HydrophobicContact CG1-CZ 3.74Å; V177-F181 PolarHBondContact O-N 2.87Å; V177-F181 VanDerWaalsContact O-N 3.09Å; V177-A209 HydrophobicContact CG1-CB 4.18Å; V177-A209 HydrophobicContact CG2-CB 4.28Å; V177-L212 HydrophobicContact CB-CD1 3.93Å; V177-L212 HydrophobicContact CG1-CD1 3.89Å |
| 178 | Q | 95.8 | Very high | 93.9 | Very high | 104 Ų | 104 | 58.6 Ų | 58.6 | 49% | 0.486 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -67 | -40.5 | 177.3 | -74.2 | 177.5 | -11.8 | 0 | 0 | 112.4 | T174 P175 Y180 F181 | T174-Q178 HydrophobicContact CG2-CG 4.25Å; T174-Q178 WeakPolarHBondContact O-CB 3.38Å; T174-Q178 VanDerWaalsContact O-CG 3.31Å; T174-Q178 WeakPolarHBondContact O-CG 3.41Å; T174-Q178 PolarHBondContact O-N 3.37Å; P175-Q178 PolarHBondContact O-N 3.1Å; Q178-Y180 VanDerWaalsContact C-N 3.32Å; Q178-F181 PolarHBondContact O-N 2.96Å |
| 179 | E | 96.1 | Very high | 94.4 | Very high | 113 Ų | 113 | 55.4 Ų | 55.4 | 53% | 0.528 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61.8 | -43.7 | 172.8 | -75.2 | -178.7 | -171.2 | 0 | 0 | 110.1 | P175 I176 F181 E182 H183 | P175-E179 WeakPolarHBondContact O-CB 3.3Å; P175-E179 VanDerWaalsContact O-CG 3.3Å; P175-E179 WeakPolarHBondContact O-CG 3.11Å; P175-E179 PolarHBondContact O-N 3.49Å; I176-E179 PolarHBondContact O-N 3.05Å; E179-F181 VanDerWaalsContact C-N 3.26Å; E179-F181 PolarHBondContact O-N 3.07Å; E179-E182 WeakPolarHBondContact O-CA 3.28Å; E179-E182 WeakPolarHBondContact O-CB 3.5Å; E179-E182 PolarHBondContact O-N 3.18Å; E179-H183 PolarHBondContact O-CD2 3.3Å; E179-H183 PolarHBondContact O-N 3.13Å; E179-H183 VanDerWaalsContact O-N 3.16Å; E179-H183 PolarHBondContact O-NE2 3.44Å |
| 180 | Y | 96.3 | Very high | 94.6 | Very high | 1 Ų | 1 | 56 Ų | 56 | 0% | 0.004 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -56.2 | -37.3 | 175.3 | 168.8 | -107.5 | 0 | 0 | 0 | 113.7 | I176 V177 Q178 E182 H183 G184 D185 T186 V189 L223 L227 | I176-Y180 WeakPolarHBondContact O-CB 3.48Å; I176-Y180 PolarHBondContact O-N 2.95Å; V177-Y180 WeakPolarHBondContact O-CB 3.42Å; V177-Y180 PolarHBondContact O-N 3.32Å; Q178-Y180 VanDerWaalsContact C-N 3.32Å; Y180-E182 PolarHBondContact O-N 2.94Å; Y180-H183 WeakPolarHBondContact CA-NE2 3.45Å; Y180-H183 PolarHBondContact N-NE2 3.04Å; Y180-H183 PolarHBondContact O-N 3.33Å; Y180-G184 VanDerWaalsContact CE2-C 3.46Å; Y180-G184 VanDerWaalsContact O-CA 3.31Å; Y180-G184 WeakPolarHBondContact O-CA 3.46Å; Y180-G184 PolarHBondContact O-N 3.43Å; Y180-D185 WeakPolarHBondContact CD2-O 3.25Å; Y180-T186 HydrophobicContact CE2-CG2 3.59Å; Y180-T186 WeakPolarHBondContact OH-CG2 3.46Å; Y180-V189 HydrophobicContact CD2-CG2 3.76Å; Y180-V189 HydrophobicContact CG-CG2 3.76Å; Y180-L223 HydrophobicContact CE1-CB 3.78Å; Y180-L223 WeakPolarHBondContact CE1-O 3.24Å; Y180-L223 PolarHBondContact OH-O 3.19Å; Y180-L227 HydrophobicContact CD1-CB 4.46Å; Y180-L227 HydrophobicContact CD1-CD2 3.83Å; Y180-L227 HydrophobicContact CE1-CB 3.64Å; Y180-L227 HydrophobicContact CE1-CD1 4.37Å; Y180-L227 HydrophobicContact CE1-CD2 3.85Å; Y180-L227 HydrophobicContact CE1-CG 4.16Å; Y180-L227 HydrophobicContact CE2-CD1 4.39Å; Y180-L227 HydrophobicContact CG-CD2 4.48Å |
| 181 | F | 95.3 | Very high | 94.7 | Very high | 19 Ų | 19 | 56.6 Ų | 56.6 | 8% | 0.083 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.7 | -21.9 | 175.2 | -69.8 | -19.2 | 0 | 0 | 0 | 114.1 | V177 Q178 E179 L212 A213 Q220 L223 T224 | V177-F181 HydrophobicContact CG1-CE1 4.09Å; V177-F181 HydrophobicContact CG1-CE2 4.09Å; V177-F181 HydrophobicContact CG1-CZ 3.74Å; V177-F181 PolarHBondContact O-N 2.87Å; V177-F181 VanDerWaalsContact O-N 3.09Å; Q178-F181 PolarHBondContact O-N 2.96Å; E179-F181 VanDerWaalsContact C-N 3.26Å; E179-F181 PolarHBondContact O-N 3.07Å; F181-L212 HydrophobicContact CE2-CB 4.27Å; F181-A213 HydrophobicContact CZ-CB 4.1Å; F181-Q220 HydrophobicContact CB-CG 3.99Å; F181-Q220 HydrophobicContact CD1-CB 4.16Å; F181-Q220 HydrophobicContact CD1-CG 4.25Å; F181-Q220 HydrophobicContact CD2-CB 4.27Å; F181-Q220 HydrophobicContact CD2-CG 4.11Å; F181-Q220 HydrophobicContact CE1-CB 4.28Å; F181-Q220 HydrophobicContact CE2-CB 4.37Å; F181-Q220 HydrophobicContact CG-CB 4.17Å; F181-Q220 HydrophobicContact CG-CG 3.87Å; F181-Q220 HydrophobicContact CZ-CB 4.38Å; F181-L223 HydrophobicContact CD1-CB 4.36Å; F181-L223 HydrophobicContact CD1-CD1 4.49Å; F181-T224 WeakPolarHBondContact CE1-OG1 3.43Å; F181-T224 WeakPolarHBondContact CZ-OG1 3.33Å |
| 182 | E | 92.8 | Very high | 94.7 | Very high | 144 Ų | 144 | 52.6 Ų | 52.6 | 67% | 0.673 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -88.2 | -47.6 | 176.9 | -60.6 | -61.6 | 145.7 | 0 | 0 | 112.1 | E179 Y180 Q329 | E179-E182 WeakPolarHBondContact O-CA 3.28Å; E179-E182 WeakPolarHBondContact O-CB 3.5Å; E179-E182 PolarHBondContact O-N 3.18Å; Y180-E182 PolarHBondContact O-N 2.94Å; E182-Q329 PolarHBondContact O-NE2 3.1Å |
| 183 | H | 91.5 | Very high | 94.7 | Very high | 64 Ų | 64 | 50.8 Ų | 50.8 | 30% | 0.296 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -93.7 | -26.4 | -174.4 | 61 | 82.7 | 0 | 0 | 0 | 114.8 | E179 Y180 D185 E188 | E179-H183 PolarHBondContact O-CD2 3.3Å; E179-H183 PolarHBondContact O-N 3.13Å; E179-H183 VanDerWaalsContact O-N 3.16Å; E179-H183 PolarHBondContact O-NE2 3.44Å; Y180-H183 WeakPolarHBondContact CA-NE2 3.45Å; Y180-H183 PolarHBondContact N-NE2 3.04Å; Y180-H183 PolarHBondContact O-N 3.33Å; H183-D185 VanDerWaalsContact C-N 3.31Å; H183-D185 WeakPolarHBondContact ND1-CB 3.29Å; H183-D185 PolarHBondContact ND1-N 2.95Å; H183-D185 VanDerWaalsContact ND1-N 3.11Å; H183-D185 PolarHBondContact O-N 3.46Å; H183-E188 IonicContact CD2-OE2 3.02Å; H183-E188 IonicContact CE1-OE2 2.83Å; H183-E188 PolarHBondContact CE1-OE2 3.24Å; H183-E188 IonicContact CG-OE2 2.88Å; H183-E188 IonicContact ND1-OE2 3.36Å; H183-E188 PolarHBondContact ND1-OE2 2.89Å; H183-E188 IonicContact NE2-OE2 2.88Å; H183-E188 PolarHBondContact NE2-OE2 3.1Å |
| 184 | G | 92.6 | Very high | 94.4 | Very high | 27 Ų | 27 | 54 Ų | 54 | 28% | 0.278 | 29% | 0.289 | S | S | . | . | trans | 70.6 | 18.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y180 | Y180-G184 VanDerWaalsContact CE2-C 3.46Å; Y180-G184 VanDerWaalsContact O-CA 3.31Å; Y180-G184 WeakPolarHBondContact O-CA 3.46Å; Y180-G184 PolarHBondContact O-N 3.43Å | ||
| 185 | D | 94.7 | Very high | 94.1 | Very high | 67 Ų | 67 | 59.2 Ų | 59.2 | 36% | 0.358 | 32% | 0.316 | S | S | . | . | trans | -93.7 | 110 | 179 | -167.7 | -14.1 | 0 | 0 | 0 | 110.9 | Y180 H183 N187 E188 | Y180-D185 WeakPolarHBondContact CD2-O 3.25Å; H183-D185 VanDerWaalsContact C-N 3.31Å; H183-D185 WeakPolarHBondContact ND1-CB 3.29Å; H183-D185 PolarHBondContact ND1-N 2.95Å; H183-D185 VanDerWaalsContact ND1-N 3.11Å; H183-D185 PolarHBondContact O-N 3.46Å; D185-N187 WeakPolarHBondContact OD1-CB 3.4Å; D185-N187 PolarHBondContact OD1-N 3.09Å; D185-N187 PolarHBondContact OD1-ND2 2.83Å; D185-E188 HydrophobicContact CB-CB 4.27Å | ||
| 186 | T | 95.1 | Very high | 93.5 | Very high | 17 Ų | 17 | 59 Ų | 59 | 10% | 0.104 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -75.4 | -25.8 | -179.5 | 51.5 | 0 | 0 | 0 | 0 | 112.9 | Y180 V189 A190 L227 D230 | Y180-T186 HydrophobicContact CE2-CG2 3.59Å; Y180-T186 WeakPolarHBondContact OH-CG2 3.46Å; T186-V189 PolarHBondContact O-N 3.3Å; T186-A190 PolarHBondContact O-N 3.08Å; T186-L227 HydrophobicContact CG2-CB 4.4Å; T186-L227 HydrophobicContact CG2-CD1 3.99Å; T186-D230 VanDerWaalsContact CB-OD2 3.22Å; T186-D230 WeakPolarHBondContact CB-OD2 3.4Å; T186-D230 HydrophobicContact CG2-CB 4.22Å; T186-D230 VanDerWaalsContact CG2-OD2 3.27Å; T186-D230 WeakPolarHBondContact CG2-OD2 3.45Å; T186-D230 PolarHBondContact OG1-OD2 3.32Å |
| 187 | N | 94.8 | Very high | 92.9 | Very high | 106 Ų | 106 | 61.4 Ų | 61.4 | 57% | 0.567 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -71.3 | -40.2 | -179.8 | -57.9 | -68.1 | 0 | 0 | 0 | 111.1 | D185 V189 A190 E191 | D185-N187 WeakPolarHBondContact OD1-CB 3.4Å; D185-N187 PolarHBondContact OD1-N 3.09Å; D185-N187 PolarHBondContact OD1-ND2 2.83Å; N187-V189 VanDerWaalsContact C-N 3.29Å; N187-V189 PolarHBondContact O-N 2.88Å; N187-A190 PolarHBondContact O-N 3.28Å; N187-A190 VanDerWaalsContact O-N 3.15Å; N187-E191 WeakPolarHBondContact O-CG 3.47Å; N187-E191 PolarHBondContact O-N 3Å |
| 188 | E | 95.5 | Very high | 92.3 | Very high | 78 Ų | 78 | 61.6 Ų | 61.6 | 36% | 0.364 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -58.6 | -43 | 175.3 | -179.9 | 168.6 | -155.6 | 0 | 0 | 111 | H183 D185 E191 L192 | H183-E188 IonicContact CD2-OE2 3.02Å; H183-E188 IonicContact CE1-OE2 2.83Å; H183-E188 PolarHBondContact CE1-OE2 3.24Å; H183-E188 IonicContact CG-OE2 2.88Å; H183-E188 IonicContact ND1-OE2 3.36Å; H183-E188 PolarHBondContact ND1-OE2 2.89Å; H183-E188 IonicContact NE2-OE2 2.88Å; H183-E188 PolarHBondContact NE2-OE2 3.1Å; D185-E188 HydrophobicContact CB-CB 4.27Å; E188-E191 PolarHBondContact O-N 3.16Å; E188-L192 HydrophobicContact CG-CD1 4.02Å; E188-L192 WeakPolarHBondContact O-CB 3.34Å; E188-L192 VanDerWaalsContact O-CG 3.23Å; E188-L192 WeakPolarHBondContact O-CG 3.48Å; E188-L192 PolarHBondContact O-N 3.07Å |
| 189 | V | 96.1 | Very high | 91.8 | Very high | 2 Ų | 2 | 57.9 Ų | 57.9 | 1% | 0.012 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.8 | -43.6 | 175.5 | -178.3 | 0 | 0 | 0 | 0 | 111.2 | I176 Y180 T186 N187 E191 L192 L193 L227 L231 | I176-V189 HydrophobicContact CG2-CB 4.47Å; I176-V189 HydrophobicContact CG2-CG1 4.01Å; I176-V189 HydrophobicContact CG2-CG2 4.31Å; Y180-V189 HydrophobicContact CD2-CG2 3.76Å; Y180-V189 HydrophobicContact CG-CG2 3.76Å; T186-V189 PolarHBondContact O-N 3.3Å; N187-V189 VanDerWaalsContact C-N 3.29Å; N187-V189 PolarHBondContact O-N 2.88Å; V189-E191 PolarHBondContact O-N 3.07Å; V189-L192 PolarHBondContact O-N 3.17Å; V189-L193 HydrophobicContact CG1-CD1 3.7Å; V189-L193 HydrophobicContact CG1-CG 4.13Å; V189-L193 WeakPolarHBondContact O-CB 3.24Å; V189-L193 VanDerWaalsContact O-CG 3.23Å; V189-L193 WeakPolarHBondContact O-CG 3.48Å; V189-L193 PolarHBondContact O-N 2.92Å; V189-L227 HydrophobicContact CB-CD1 3.85Å; V189-L227 HydrophobicContact CG1-CD1 3.81Å; V189-L227 HydrophobicContact CG1-CD2 4.35Å; V189-L227 HydrophobicContact CG2-CD1 4.12Å; V189-L231 HydrophobicContact CG1-CD1 4.5Å; V189-L231 HydrophobicContact CG1-CD2 4.44Å |
| 190 | A | 94.4 | Very high | 91.2 | Very high | 18 Ų | 18 | 58 Ų | 58 | 15% | 0.149 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61.4 | -43.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | T186 N187 L193 A194 L231 V235 | T186-A190 PolarHBondContact O-N 3.08Å; N187-A190 PolarHBondContact O-N 3.28Å; N187-A190 VanDerWaalsContact O-N 3.15Å; A190-L193 PolarHBondContact O-N 3.26Å; A190-A194 WeakPolarHBondContact O-CB 3.4Å; A190-A194 PolarHBondContact O-N 3.36Å; A190-L231 HydrophobicContact CB-CD2 3.94Å; A190-V235 HydrophobicContact CB-CG2 3.92Å |
| 191 | E | 93 | Very high | 90.8 | Very high | 138 Ų | 138 | 59.1 Ų | 59.1 | 65% | 0.645 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -62.6 | -48.2 | 176 | -71.7 | -178.3 | -179.5 | 0 | 0 | 111.4 | N187 E188 V189 L193 A194 D195 | N187-E191 WeakPolarHBondContact O-CG 3.47Å; N187-E191 PolarHBondContact O-N 3Å; E188-E191 PolarHBondContact O-N 3.16Å; V189-E191 PolarHBondContact O-N 3.07Å; E191-L193 VanDerWaalsContact C-N 3.34Å; E191-L193 PolarHBondContact O-N 3.34Å; E191-A194 PolarHBondContact O-N 3.41Å; E191-D195 PolarHBondContact O-N 2.97Å |
| 192 | L | 92.9 | Very high | 90.6 | Very high | 65 Ų | 65 | 63.2 Ų | 63.2 | 34% | 0.34 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.1 | -39.8 | 179.5 | -70 | 170.9 | 0 | 0 | 0 | 112.3 | I176 E188 V189 L196 | I176-L192 HydrophobicContact CD1-CB 4.17Å; I176-L192 HydrophobicContact CG1-CD1 4.3Å; I176-L192 HydrophobicContact CG2-CB 4.34Å; I176-L192 HydrophobicContact CG2-CD1 3.98Å; E188-L192 HydrophobicContact CG-CD1 4.02Å; E188-L192 WeakPolarHBondContact O-CB 3.34Å; E188-L192 VanDerWaalsContact O-CG 3.23Å; E188-L192 WeakPolarHBondContact O-CG 3.48Å; E188-L192 PolarHBondContact O-N 3.07Å; V189-L192 PolarHBondContact O-N 3.17Å; L192-L196 VanDerWaalsContact O-CG 3.29Å; L192-L196 WeakPolarHBondContact O-CG 3.43Å |
| 193 | L | 92.3 | Very high | 90.6 | Very high | 5 Ų | 5 | 57.5 Ų | 57.5 | 3% | 0.026 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -71.9 | -34.4 | 178.1 | -67.6 | 173.9 | 0 | 0 | 0 | 112.5 | V173 V189 A190 E191 D195 L196 L198 V205 L231 V235 | V173-L193 HydrophobicContact CG1-CD2 4.37Å; V173-L193 HydrophobicContact CG2-CD2 4.42Å; V189-L193 HydrophobicContact CG1-CD1 3.7Å; V189-L193 HydrophobicContact CG1-CG 4.13Å; V189-L193 WeakPolarHBondContact O-CB 3.24Å; V189-L193 VanDerWaalsContact O-CG 3.23Å; V189-L193 WeakPolarHBondContact O-CG 3.48Å; V189-L193 PolarHBondContact O-N 2.92Å; A190-L193 PolarHBondContact O-N 3.26Å; E191-L193 VanDerWaalsContact C-N 3.34Å; E191-L193 PolarHBondContact O-N 3.34Å; L193-D195 VanDerWaalsContact C-N 3.27Å; L193-D195 PolarHBondContact O-N 2.88Å; L193-L196 HydrophobicContact CD2-CD1 4.44Å; L193-L196 PolarHBondContact O-N 3.02Å; L193-L198 HydrophobicContact CB-CD1 4.41Å; L193-L198 HydrophobicContact CD2-CD1 4.05Å; L193-V205 HydrophobicContact CD1-CG1 3.81Å; L193-V205 HydrophobicContact CD2-CG1 4.26Å; L193-V205 HydrophobicContact CD2-CG2 4.15Å; L193-L231 HydrophobicContact CD1-CD1 3.87Å; L193-L231 HydrophobicContact CD1-CD2 3.97Å; L193-V235 HydrophobicContact CB-CG1 4.06Å |
| 194 | A | 89.3 | Confident | 90.7 | Very high | 68 Ų | 68 | 56.5 Ų | 56.5 | 56% | 0.562 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -63.3 | -35.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | A190 E191 L196 | A190-A194 WeakPolarHBondContact O-CB 3.4Å; A190-A194 PolarHBondContact O-N 3.36Å; E191-A194 PolarHBondContact O-N 3.41Å; A194-L196 PolarHBondContact O-N 3.29Å |
| 195 | D | 88.3 | Confident | 90.8 | Very high | 138 Ų | 138 | 55.3 Ų | 55.3 | 74% | 0.738 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -74.8 | -19.2 | 179.9 | -75.7 | -10.8 | 0 | 0 | 0 | 114.1 | E191 L193 N197 | E191-D195 PolarHBondContact O-N 2.97Å; L193-D195 VanDerWaalsContact C-N 3.27Å; L193-D195 PolarHBondContact O-N 2.88Å; D195-N197 PolarHBondContact O-N 2.95Å |
| 196 | L | 84.8 | Confident | 90.9 | Very high | 46 Ų | 46 | 52.1 Ų | 52.1 | 24% | 0.241 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -2.5 | -170.4 | -77 | 172.9 | 0 | 0 | 0 | 115.9 | T172 I176 L192 L193 A194 L198 | T172-L196 HydrophobicContact CG2-CD1 3.81Å; T172-L196 HydrophobicContact CG2-CD2 3.63Å; T172-L196 HydrophobicContact CG2-CG 4.4Å; I176-L196 HydrophobicContact CD1-CD1 3.68Å; L192-L196 VanDerWaalsContact O-CG 3.29Å; L192-L196 WeakPolarHBondContact O-CG 3.43Å; L193-L196 HydrophobicContact CD2-CD1 4.44Å; L193-L196 PolarHBondContact O-N 3.02Å; A194-L196 PolarHBondContact O-N 3.29Å; L196-L198 HydrophobicContact CB-CD2 3.82Å; L196-L198 HydrophobicContact CB-CG 4.12Å; L196-L198 HydrophobicContact CD1-CD2 4.5Å; L196-L198 PolarHBondContact O-N 3.09Å |
| 197 | N | 83.3 | Confident | 90.9 | Very high | 68 Ų | 68 | 51.6 Ų | 51.6 | 36% | 0.364 | 29% | 0.286 | S | S | . | . | trans | 41.3 | 61.2 | -175.8 | -165.9 | 18.1 | 0 | 0 | 0 | 114 | V161 P163 D195 G199 | V161-N197 PolarHBondContact O-ND2 2.68Å; P163-N197 WeakPolarHBondContact CA-O 3.47Å; D195-N197 PolarHBondContact O-N 2.95Å; N197-G199 PolarHBondContact O-N 3.48Å | ||
| 198 | L | 83.8 | Confident | 90.9 | Very high | 5 Ų | 5 | 47.6 Ų | 47.6 | 3% | 0.026 | 26% | 0.264 | C | S | . | . | trans | -69.5 | -11.1 | -172.1 | -60.2 | 172.9 | 0 | 0 | 0 | 115.2 | L164 F169 L193 L196 M201 R202 V205 | L164-L198 HydrophobicContact CD2-CD2 3.89Å; F169-L198 HydrophobicContact CD2-CD2 4.21Å; F169-L198 HydrophobicContact CE2-CD2 4.08Å; L193-L198 HydrophobicContact CB-CD1 4.41Å; L193-L198 HydrophobicContact CD2-CD1 4.05Å; L196-L198 HydrophobicContact CB-CD2 3.82Å; L196-L198 HydrophobicContact CB-CG 4.12Å; L196-L198 HydrophobicContact CD1-CD2 4.5Å; L196-L198 PolarHBondContact O-N 3.09Å; L198-M201 WeakPolarHBondContact O-CB 3.3Å; L198-M201 PolarHBondContact O-N 2.88Å; L198-R202 HydrophobicContact CB-CG 3.88Å; L198-V205 HydrophobicContact CD1-CG2 3.76Å | ||
| 199 | G | 84.9 | Confident | 91 | Very high | 26 Ų | 26 | 44 Ų | 44 | 27% | 0.268 | 25% | 0.247 | S | C | . | . | G | 310 helix | trans | 49.2 | -124.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | N197 M201 R202 | N197-G199 PolarHBondContact O-N 3.48Å; G199-M201 VanDerWaalsContact C-N 3.28Å; G199-M201 PolarHBondContact O-N 3.15Å; G199-R202 WeakPolarHBondContact O-CD 3.3Å; G199-R202 VanDerWaalsContact O-CG 3.31Å; G199-R202 WeakPolarHBondContact O-CG 3.39Å |
| 200 | P | 83.7 | Confident | 91.1 | Very high | 117 Ų | 117 | 43.9 Ų | 43.9 | 76% | 0.76 | 25% | 0.246 | S | C | * | . | G | 310 helix | trans | -74.6 | -12.9 | 179.4 | 32.6 | -35.5 | 0 | 0 | 0 | 113.9 | R202 | P200-R202 PolarHBondContact O-N 2.89Š|
| 201 | M | 87.7 | Confident | 91.2 | Very high | 23 Ų | 23 | 44.2 Ų | 44.2 | 11% | 0.113 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -82.1 | 8.5 | -178.6 | -59.1 | -166.9 | 70.1 | 0 | 0 | 113.5 | E166 F169 L198 G199 S203 E204 | E166-M201 HydrophobicContact CB-CE 4.13Å; E166-M201 HydrophobicContact CB-SD 4.29Å; E166-M201 HydrophobicContact CG-CE 3.83Å; E166-M201 HydrophobicContact CG-SD 3.75Å; F169-M201 HydrophobicContact CB-CE 3.42Å; F169-M201 VanDerWaalsContact CB-CE 3.42Å; F169-M201 HydrophobicContact CB-SD 4.05Å; F169-M201 HydrophobicContact CD1-CE 3.88Å; F169-M201 HydrophobicContact CD2-CB 4.08Å; F169-M201 HydrophobicContact CD2-CE 3.66Å; F169-M201 HydrophobicContact CD2-SD 4.11Å; F169-M201 HydrophobicContact CE2-CB 4.13Å; F169-M201 HydrophobicContact CE2-CE 4.4Å; F169-M201 HydrophobicContact CG-CE 3.36Å; F169-M201 HydrophobicContact CG-SD 4.24Å; L198-M201 WeakPolarHBondContact O-CB 3.3Å; L198-M201 PolarHBondContact O-N 2.88Å; G199-M201 VanDerWaalsContact C-N 3.28Å; G199-M201 PolarHBondContact O-N 3.15Å; M201-S203 VanDerWaalsContact C-N 3.28Å; M201-S203 PolarHBondContact O-N 3.39Å; M201-E204 HydrophobicContact CB-CG 4.38Å; M201-E204 HydrophobicContact CE-CG 4.33Å; M201-E204 VanDerWaalsContact O-CB 3.28Å; M201-E204 WeakPolarHBondContact O-CB 3.42Å; M201-E204 PolarHBondContact O-N 3.17Å |
| 202 | R | 90.6 | Very high | 91.3 | Very high | 106 Ų | 106 | 39.3 Ų | 39.3 | 40% | 0.4 | 23% | 0.226 | S | C | . | . | G | 310 helix | trans | -59.2 | -40.1 | 178 | -72.8 | 173.6 | -173 | -162.6 | 0.4 | 112.1 | L198 G199 P200 E204 V205 P206 L236 | L198-R202 HydrophobicContact CB-CG 3.88Å; G199-R202 WeakPolarHBondContact O-CD 3.3Å; G199-R202 VanDerWaalsContact O-CG 3.31Å; G199-R202 WeakPolarHBondContact O-CG 3.39Å; P200-R202 PolarHBondContact O-N 2.89Å; R202-E204 PolarHBondContact O-N 3Å; R202-E204 VanDerWaalsContact O-N 3.14Å; R202-V205 PolarHBondContact O-N 3Å; R202-P206 WeakPolarHBondContact O-CD 3.41Å; R202-L236 HydrophobicContact CB-CD2 3.78Å; R202-L236 HydrophobicContact CG-CD2 4.44Å; R202-L236 WeakPolarHBondContact O-CD2 3.35Å |
| 203 | S | 92.9 | Very high | 91.5 | Very high | 23 Ų | 23 | 36.2 Ų | 36.2 | 16% | 0.161 | 21% | 0.21 | C | C | . | . | G | 310 helix | trans | -69.7 | -1.8 | 175.1 | 62.6 | 0 | 0 | 0 | 0 | 114 | M201 D240 S244 | M201-S203 VanDerWaalsContact C-N 3.28Å; M201-S203 PolarHBondContact O-N 3.39Å; S203-D240 WeakPolarHBondContact CB-O 3.4Å; S203-S244 WeakPolarHBondContact CA-OG 3.29Å; S203-S244 WeakPolarHBondContact O-CA 3.49Å; S203-S244 VanDerWaalsContact O-CB 3.32Å; S203-S244 WeakPolarHBondContact O-CB 3.28Å; S203-S244 PolarHBondContact O-OG 3.22Å |
| 204 | E | 93.4 | Very high | 91.7 | Very high | 44 Ų | 44 | 36.3 Ų | 36.3 | 21% | 0.206 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -91.6 | -15.2 | 175.1 | -61.9 | -65.2 | -177.8 | 0 | 0 | 112.8 | F169 M201 R202 S207 L208 K247 | F169-E204 HydrophobicContact CD1-CB 4.39Å; F169-E204 HydrophobicContact CE1-CB 3.59Å; F169-E204 HydrophobicContact CE2-CB 4.17Å; F169-E204 HydrophobicContact CZ-CB 3.47Å; F169-E204 VanDerWaalsContact CZ-CB 3.47Å; M201-E204 HydrophobicContact CB-CG 4.38Å; M201-E204 HydrophobicContact CE-CG 4.33Å; M201-E204 VanDerWaalsContact O-CB 3.28Å; M201-E204 WeakPolarHBondContact O-CB 3.42Å; M201-E204 PolarHBondContact O-N 3.17Å; R202-E204 PolarHBondContact O-N 3Å; R202-E204 VanDerWaalsContact O-N 3.14Å; E204-S207 WeakPolarHBondContact CA-OG 3.37Å; E204-S207 PolarHBondContact O-OG 3.16Å; E204-S207 PolarHBondContact OE2-OG 3.38Å; E204-S207 VanDerWaalsContact OE2-OG 3.1Å; E204-L208 VanDerWaalsContact O-CB 3.26Å; E204-L208 WeakPolarHBondContact O-CB 3.39Å; E204-L208 PolarHBondContact O-N 3.18Å; E204-L208 VanDerWaalsContact O-N 3.08Å; E204-K247 WeakPolarHBondContact OE1-CD 3.01Å; E204-K247 IonicContact OE1-NZ 2.78Å; E204-K247 PolarHBondContact OE1-NZ 3.05Å; E204-K247 WeakPolarHBondContact OE2-CD 3.47Å; E204-K247 VanDerWaalsContact OE2-CE 3.27Å; E204-K247 WeakPolarHBondContact OE2-CE 3.16Å; E204-K247 IonicContact OE2-NZ 2.65Å; E204-K247 PolarHBondContact OE2-NZ 2.83Å |
| 205 | V | 95.1 | Very high | 91.9 | Very high | 2 Ų | 2 | 39.3 Ų | 39.3 | 1% | 0.012 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -68.9 | -48.7 | 179.9 | 178.6 | 0 | 0 | 0 | 0 | 111.3 | F169 V173 L193 L198 R202 S207 L208 A209 L231 | F169-V205 HydrophobicContact CE2-CG2 3.96Å; F169-V205 HydrophobicContact CZ-CG2 3.78Å; V173-V205 HydrophobicContact CG1-CG1 4.32Å; V173-V205 HydrophobicContact CG1-CG2 4.42Å; L193-V205 HydrophobicContact CD1-CG1 3.81Å; L193-V205 HydrophobicContact CD2-CG1 4.26Å; L193-V205 HydrophobicContact CD2-CG2 4.15Å; L198-V205 HydrophobicContact CD1-CG2 3.76Å; R202-V205 PolarHBondContact O-N 3Å; V205-S207 PolarHBondContact O-N 3.39Å; V205-L208 PolarHBondContact O-N 2.73Å; V205-A209 WeakPolarHBondContact O-CB 3.47Å; V205-A209 PolarHBondContact O-N 3.13Å; V205-L231 HydrophobicContact CG1-CD1 4.47Å |
| 206 | P | 96.8 | Very high | 92 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -66.6 | -37.2 | 179.7 | -22.2 | 35.7 | 0 | 0 | 0 | 113 | R202 A209 V210 L228 L236 M241 S244 | R202-P206 WeakPolarHBondContact O-CD 3.41Å; P206-A209 PolarHBondContact O-N 2.87Å; P206-V210 WeakPolarHBondContact O-CB 3.3Å; P206-V210 WeakPolarHBondContact O-CG2 3.24Å; P206-V210 PolarHBondContact O-N 3.02Å; P206-L228 HydrophobicContact CB-CD2 3.65Å; P206-L228 HydrophobicContact CG-CD2 4.26Å; P206-L236 HydrophobicContact CG-CD1 3.51Å; P206-M241 HydrophobicContact CB-SD 4.29Å; P206-M241 HydrophobicContact CG-SD 3.66Å; P206-S244 WeakPolarHBondContact CD-OG 3.42Å; P206-S244 VanDerWaalsContact CG-OG 3.26Å; P206-S244 WeakPolarHBondContact CG-OG 3.46Å |
| 207 | S | 95.5 | Very high | 92.4 | Very high | 6 Ų | 6 | 37.7 Ų | 37.7 | 4% | 0.042 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.2 | -47.7 | 177.2 | 61.8 | 0 | 0 | 0 | 0 | 110.4 | E204 V205 A209 V210 S211 | E204-S207 WeakPolarHBondContact CA-OG 3.37Å; E204-S207 PolarHBondContact O-OG 3.16Å; E204-S207 PolarHBondContact OE2-OG 3.38Å; E204-S207 VanDerWaalsContact OE2-OG 3.1Å; V205-S207 PolarHBondContact O-N 3.39Å; S207-A209 PolarHBondContact O-N 2.94Å; S207-V210 PolarHBondContact O-N 3.03Å; S207-S211 WeakPolarHBondContact O-CB 3.49Å; S207-S211 PolarHBondContact O-N 3.28Å; S207-S211 PolarHBondContact O-OG 3.12Å |
| 208 | L | 95.4 | Very high | 92.8 | Very high | 22 Ų | 22 | 35.3 Ų | 35.3 | 12% | 0.115 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.8 | -45.2 | 176 | 179.5 | 60.3 | 0 | 0 | 0 | 112 | F169 V173 E204 V205 V210 S211 L212 | F169-L208 HydrophobicContact CD1-CD2 4.42Å; F169-L208 HydrophobicContact CE1-CB 4.46Å; F169-L208 HydrophobicContact CE1-CD2 3.82Å; V173-L208 HydrophobicContact CB-CD2 3.86Å; V173-L208 HydrophobicContact CG1-CD2 3.79Å; E204-L208 VanDerWaalsContact O-CB 3.26Å; E204-L208 WeakPolarHBondContact O-CB 3.39Å; E204-L208 PolarHBondContact O-N 3.18Å; E204-L208 VanDerWaalsContact O-N 3.08Å; V205-L208 PolarHBondContact O-N 2.73Å; L208-V210 PolarHBondContact O-N 2.99Å; L208-S211 PolarHBondContact O-N 3.07Å; L208-L212 HydrophobicContact CD1-CD1 4.24Å; L208-L212 HydrophobicContact CD1-CG 4.2Å; L208-L212 HydrophobicContact CG-CD1 4.15Å; L208-L212 WeakPolarHBondContact O-CG 3.37Å; L208-L212 PolarHBondContact O-N 2.72Å |
| 209 | A | 97.3 | Very high | 93.2 | Very high | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.008 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.2 | -42.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | V177 V205 P206 S207 A213 T224 | V177-A209 HydrophobicContact CG1-CB 4.18Å; V177-A209 HydrophobicContact CG2-CB 4.28Å; V205-A209 WeakPolarHBondContact O-CB 3.47Å; V205-A209 PolarHBondContact O-N 3.13Å; P206-A209 PolarHBondContact O-N 2.87Å; S207-A209 PolarHBondContact O-N 2.94Å; A209-A213 WeakPolarHBondContact O-CB 3.36Å; A209-A213 PolarHBondContact O-N 3.22Å; A209-A213 VanDerWaalsContact O-N 3.07Å; A209-T224 HydrophobicContact CB-CG2 4.16Å |
| 210 | V | 97.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -65.6 | -45.9 | 175.1 | 171.3 | 0 | 0 | 0 | 0 | 110.9 | P206 S207 L208 L212 A213 L214 T224 L228 L248 F269 | P206-V210 WeakPolarHBondContact O-CB 3.3Å; P206-V210 WeakPolarHBondContact O-CG2 3.24Å; P206-V210 PolarHBondContact O-N 3.02Å; S207-V210 PolarHBondContact O-N 3.03Å; L208-V210 PolarHBondContact O-N 2.99Å; V210-L212 VanDerWaalsContact C-N 3.33Å; V210-L212 PolarHBondContact O-N 3.3Å; V210-A213 CarbonylContact O-C 3.59Å; V210-A213 WeakPolarHBondContact O-CA 3.23Å; V210-A213 WeakPolarHBondContact O-CB 3.36Å; V210-A213 PolarHBondContact O-N 2.93Å; V210-L214 HydrophobicContact CG1-CD1 4.5Å; V210-L214 HydrophobicContact CG1-CG 4.32Å; V210-L214 WeakPolarHBondContact O-CG 3.36Å; V210-L214 PolarHBondContact O-N 3.42Å; V210-T224 HydrophobicContact CG2-CG2 4.06Å; V210-L228 HydrophobicContact CG2-CD1 4.04Å; V210-L248 HydrophobicContact CB-CD1 3.77Å; V210-L248 HydrophobicContact CB-CD2 4.04Å; V210-L248 HydrophobicContact CG1-CD1 3.8Å; V210-L248 HydrophobicContact CG1-CD2 3.91Å; V210-L248 HydrophobicContact CG2-CD1 3.98Å; V210-F269 HydrophobicContact CG1-CD2 3.73Å; V210-F269 HydrophobicContact CG1-CE2 3.88Å; V210-F269 HydrophobicContact CG1-CG 4.19Å; V210-F269 HydrophobicContact CG1-CZ 4.44Å; V210-F269 HydrophobicContact CG2-CD1 4.16Å; V210-F269 HydrophobicContact CG2-CE1 4.26Å; V210-F269 HydrophobicContact CG2-CG 4.32Å |
| 211 | S | 96.1 | Very high | 94.2 | Very high | 25 Ų | 25 | 33.4 Ų | 33.4 | 18% | 0.175 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -57.2 | -45.8 | 177.9 | -62.8 | 0 | 0 | 0 | 0 | 112 | S207 L208 A213 L214 | S207-S211 WeakPolarHBondContact O-CB 3.49Å; S207-S211 PolarHBondContact O-N 3.28Å; S207-S211 PolarHBondContact O-OG 3.12Å; L208-S211 PolarHBondContact O-N 3.07Å; S211-A213 VanDerWaalsContact C-N 3.26Å; S211-A213 PolarHBondContact O-N 2.66Å; S211-L214 PolarHBondContact O-N 3.25Å |
| 212 | L | 96.4 | Very high | 94.4 | Very high | 36 Ų | 36 | 32.8 Ų | 32.8 | 19% | 0.188 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61 | -35.5 | 174.4 | -69.3 | 172.7 | 0 | 0 | 0 | 112.3 | T174 V177 F181 L208 V210 A216 | T174-L212 HydrophobicContact CG2-CD1 4.07Å; T174-L212 HydrophobicContact CG2-CD2 4.12Å; V177-L212 HydrophobicContact CB-CD1 3.93Å; V177-L212 HydrophobicContact CG1-CD1 3.89Å; F181-L212 HydrophobicContact CE2-CB 4.27Å; L208-L212 HydrophobicContact CD1-CD1 4.24Å; L208-L212 HydrophobicContact CD1-CG 4.2Å; L208-L212 HydrophobicContact CG-CD1 4.15Å; L208-L212 WeakPolarHBondContact O-CG 3.37Å; L208-L212 PolarHBondContact O-N 2.72Å; V210-L212 VanDerWaalsContact C-N 3.33Å; V210-L212 PolarHBondContact O-N 3.3Å; L212-A216 WeakPolarHBondContact O-CB 3.42Å |
| 213 | A | 96.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -74.6 | -25.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | F181 A209 V210 S211 E215 A216 R221 T224 F269 | F181-A213 HydrophobicContact CZ-CB 4.1Å; A209-A213 WeakPolarHBondContact O-CB 3.36Å; A209-A213 PolarHBondContact O-N 3.22Å; A209-A213 VanDerWaalsContact O-N 3.07Å; V210-A213 CarbonylContact O-C 3.59Å; V210-A213 WeakPolarHBondContact O-CA 3.23Å; V210-A213 WeakPolarHBondContact O-CB 3.36Å; V210-A213 PolarHBondContact O-N 2.93Å; S211-A213 VanDerWaalsContact C-N 3.26Å; S211-A213 PolarHBondContact O-N 2.66Å; A213-E215 VanDerWaalsContact C-N 3.34Å; A213-A216 WeakPolarHBondContact O-CB 3.47Å; A213-A216 PolarHBondContact O-N 2.72Å; A213-R221 HydrophobicContact CB-CG 4.03Å; A213-R221 WeakPolarHBondContact O-CG 3.43Å; A213-T224 HydrophobicContact CB-CG2 4.21Å; A213-T224 WeakPolarHBondContact CB-OG1 3.39Å; A213-F269 HydrophobicContact CB-CZ 4.02Å |
| 214 | L | 95.6 | Very high | 94.7 | Very high | 7 Ų | 7 | 27.2 Ų | 27.2 | 4% | 0.037 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -65.6 | -37.7 | 179 | -71.3 | 177.3 | 0 | 0 | 0 | 112.1 | V210 S211 A216 L255 T259 A262 L265 V266 F269 | V210-L214 HydrophobicContact CG1-CD1 4.5Å; V210-L214 HydrophobicContact CG1-CG 4.32Å; V210-L214 WeakPolarHBondContact O-CG 3.36Å; V210-L214 PolarHBondContact O-N 3.42Å; S211-L214 PolarHBondContact O-N 3.25Å; L214-A216 PolarHBondContact O-N 2.95Å; L214-L255 HydrophobicContact CD1-CB 4.43Å; L214-L255 HydrophobicContact CD1-CD1 3.92Å; L214-L255 HydrophobicContact CD1-CD2 4.44Å; L214-T259 HydrophobicContact CB-CG2 4.46Å; L214-A262 HydrophobicContact CD1-CB 4.25Å; L214-L265 HydrophobicContact CD2-CB 3.35Å; L214-L265 HydrophobicContact CD2-CD1 3.82Å; L214-L265 HydrophobicContact CD2-CG 4.23Å; L214-V266 HydrophobicContact CD1-CG2 3.88Å; L214-V266 HydrophobicContact CD2-CG2 4.16Å; L214-F269 HydrophobicContact CD2-CD2 4.49Å; L214-F269 HydrophobicContact CD2-CE2 4.24Å |
| 215 | E | 93.3 | Very high | 94.8 | Very high | 130 Ų | 130 | 25.3 Ų | 25.3 | 61% | 0.607 | 13% | 0.132 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -1 | 176.3 | -64.6 | 177.5 | -157.1 | 0 | 0 | 113.1 | A213 | A213-E215 VanDerWaalsContact C-N 3.34Š|
| 216 | A | 92.4 | Very high | 94.7 | Very high | 26 Ų | 26 | 29.3 Ų | 29.3 | 22% | 0.215 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -111.2 | -177.5 | -166.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L212 A213 L214 Q220 | L212-A216 WeakPolarHBondContact O-CB 3.42Å; A213-A216 WeakPolarHBondContact O-CB 3.47Å; A213-A216 PolarHBondContact O-N 2.72Å; L214-A216 PolarHBondContact O-N 2.95Å; A216-Q220 HydrophobicContact CB-CB 3.95Å; A216-Q220 HydrophobicContact CB-CG 4.48Å |
| 217 | K | 92 | Very high | 94.6 | Very high | 124 Ų | 124 | 29.3 Ų | 29.3 | 54% | 0.539 | 15% | 0.147 | S | C | . | . | trans | -75.3 | 166.6 | -178.9 | -68 | -174.8 | -173.5 | 172.6 | 0 | 112.6 | S219 Q220 R221 E363 | K217-S219 VanDerWaalsContact C-N 3.3Å; K217-S219 PolarHBondContact O-N 3.13Å; K217-Q220 PolarHBondContact O-N 3.44Å; K217-R221 PolarHBondContact O-N 2.86Å; K217-E363 WeakPolarHBondContact CB-OE1 3.37Å; K217-E363 WeakPolarHBondContact CB-OE2 3.48Å; K217-E363 HydrophobicContact CD-CG 4.39Å; K217-E363 WeakPolarHBondContact CD-OE2 3.37Å | ||
| 218 | A | 92.4 | Very high | 94.6 | Very high | 19 Ų | 19 | 29.2 Ų | 29.2 | 16% | 0.157 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -67.8 | -34.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q220 R221 E222 W323 E363 | A218-Q220 VanDerWaalsContact C-N 3.31Å; A218-Q220 PolarHBondContact O-N 3.47Å; A218-R221 PolarHBondContact O-N 3.18Å; A218-E222 PolarHBondContact O-N 3.26Å; A218-W323 WeakPolarHBondContact CB-O 3.19Å; A218-E363 PolarHBondContact N-OE1 2.56Å |
| 219 | S | 92 | Very high | 94.6 | Very high | 27 Ų | 27 | 30.3 Ų | 30.3 | 19% | 0.189 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -58.5 | -38.8 | 171.5 | 61 | 0 | 0 | 0 | 0 | 113.5 | K217 E222 L223 E363 | K217-S219 VanDerWaalsContact C-N 3.3Å; K217-S219 PolarHBondContact O-N 3.13Å; S219-E222 WeakPolarHBondContact O-CB 3.45Å; S219-E222 PolarHBondContact O-N 2.99Å; S219-L223 WeakPolarHBondContact O-CG 3.38Å; S219-L223 PolarHBondContact O-N 3.04Å; S219-E363 WeakPolarHBondContact CB-OE2 3.43Å; S219-E363 PolarHBondContact N-OE1 2.88Å; S219-E363 PolarHBondContact OG-OE2 3.1Å |
| 220 | Q | 94.3 | Very high | 94.4 | Very high | 38 Ų | 38 | 34.2 Ų | 34.2 | 18% | 0.178 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -72.7 | -32.1 | 178.8 | -69.6 | 168.8 | -40.3 | 0 | 0 | 111.9 | F181 A216 K217 A218 L223 T224 | F181-Q220 HydrophobicContact CB-CG 3.99Å; F181-Q220 HydrophobicContact CD1-CB 4.16Å; F181-Q220 HydrophobicContact CD1-CG 4.25Å; F181-Q220 HydrophobicContact CD2-CB 4.27Å; F181-Q220 HydrophobicContact CD2-CG 4.11Å; F181-Q220 HydrophobicContact CE1-CB 4.28Å; F181-Q220 HydrophobicContact CE2-CB 4.37Å; F181-Q220 HydrophobicContact CG-CB 4.17Å; F181-Q220 HydrophobicContact CG-CG 3.87Å; F181-Q220 HydrophobicContact CZ-CB 4.38Å; A216-Q220 HydrophobicContact CB-CB 3.95Å; A216-Q220 HydrophobicContact CB-CG 4.48Å; K217-Q220 PolarHBondContact O-N 3.44Å; A218-Q220 VanDerWaalsContact C-N 3.31Å; A218-Q220 PolarHBondContact O-N 3.47Å; Q220-L223 PolarHBondContact O-N 2.92Å; Q220-T224 WeakPolarHBondContact O-CB 3.02Å; Q220-T224 PolarHBondContact O-N 3.14Å; Q220-T224 PolarHBondContact O-OG1 3.41Å |
| 221 | R | 94.8 | Very high | 94.3 | Very high | 43 Ų | 43 | 34.2 Ų | 34.2 | 16% | 0.162 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -65.8 | -37.9 | 171.1 | -67.4 | -179.4 | -92.1 | 126.3 | -6.2 | 112.3 | A213 K217 A218 T224 S225 F269 W323 | A213-R221 HydrophobicContact CB-CG 4.03Å; A213-R221 WeakPolarHBondContact O-CG 3.43Å; K217-R221 PolarHBondContact O-N 2.86Å; A218-R221 PolarHBondContact O-N 3.18Å; R221-T224 PolarHBondContact O-N 2.86Å; R221-S225 PolarHBondContact O-N 3.05Å; R221-S225 PolarHBondContact O-OG 3.13Å; R221-F269 HydrophobicContact CB-CE2 4.4Å; R221-F269 HydrophobicContact CB-CZ 3.89Å; R221-F269 HydrophobicContact CG-CE2 4.22Å; R221-F269 HydrophobicContact CG-CZ 4.04Å; R221-W323 HydrophobicContact CB-CD2 3.62Å; R221-W323 HydrophobicContact CB-CE3 3.64Å; R221-W323 HydrophobicContact CB-CG 4.09Å; R221-W323 HydrophobicContact CB-CH2 4.28Å; R221-W323 HydrophobicContact CB-CZ2 4.34Å; R221-W323 HydrophobicContact CB-CZ3 3.97Å; R221-W323 HydrophobicContact CG-CE3 4.34Å; R221-W323 HydrophobicContact CG-CZ3 4.3Å |
| 222 | E | 92.7 | Very high | 94.1 | Very high | 9 Ų | 9 | 34 Ų | 34 | 4% | 0.042 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.7 | -47.9 | 170.4 | 174.2 | 61.1 | -167.8 | 0 | 0 | 111.7 | A218 S219 T224 S225 R226 W323 | A218-E222 PolarHBondContact O-N 3.26Å; S219-E222 WeakPolarHBondContact O-CB 3.45Å; S219-E222 PolarHBondContact O-N 2.99Å; E222-T224 VanDerWaalsContact C-N 3.28Å; E222-T224 PolarHBondContact O-N 3.17Å; E222-S225 WeakPolarHBondContact O-CB 3.46Å; E222-S225 PolarHBondContact O-N 3.33Å; E222-R226 PolarHBondContact O-N 3.35Å; E222-R226 IonicContact OE1-CZ 2.72Å; E222-R226 IonicContact OE1-NE 3.69Å; E222-R226 PolarHBondContact OE1-NE 3.14Å; E222-R226 IonicContact OE1-NH2 3.7Å; E222-R226 PolarHBondContact OE1-NH2 3.34Å; E222-W323 HydrophobicContact CB-CB 3.98Å; E222-W323 HydrophobicContact CB-CG 4.33Å; E222-W323 VanDerWaalsContact OE2-CD1 3.29Å |
| 223 | L | 93.7 | Very high | 93.7 | Very high | 13 Ų | 13 | 35.7 Ų | 35.7 | 7% | 0.068 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58.8 | -41.5 | 176.8 | -72.9 | 178.1 | 0 | 0 | 0 | 111.7 | Y180 F181 S219 Q220 R226 L227 | Y180-L223 HydrophobicContact CE1-CB 3.78Å; Y180-L223 WeakPolarHBondContact CE1-O 3.24Å; Y180-L223 PolarHBondContact OH-O 3.19Å; F181-L223 HydrophobicContact CD1-CB 4.36Å; F181-L223 HydrophobicContact CD1-CD1 4.49Å; S219-L223 WeakPolarHBondContact O-CG 3.38Å; S219-L223 PolarHBondContact O-N 3.04Å; Q220-L223 PolarHBondContact O-N 2.92Å; L223-R226 PolarHBondContact O-N 2.95Å; L223-L227 WeakPolarHBondContact O-CB 3.46Å; L223-L227 PolarHBondContact O-N 2.95Å |
| 224 | T | 96.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.6 | -46.1 | 176.5 | -55.8 | 0 | 0 | 0 | 0 | 110.9 | F181 A209 V210 A213 Q220 R221 E222 R226 L227 L228 F269 | F181-T224 WeakPolarHBondContact CE1-OG1 3.43Å; F181-T224 WeakPolarHBondContact CZ-OG1 3.33Å; A209-T224 HydrophobicContact CB-CG2 4.16Å; V210-T224 HydrophobicContact CG2-CG2 4.06Å; A213-T224 HydrophobicContact CB-CG2 4.21Å; A213-T224 WeakPolarHBondContact CB-OG1 3.39Å; Q220-T224 WeakPolarHBondContact O-CB 3.02Å; Q220-T224 PolarHBondContact O-N 3.14Å; Q220-T224 PolarHBondContact O-OG1 3.41Å; R221-T224 PolarHBondContact O-N 2.86Å; E222-T224 VanDerWaalsContact C-N 3.28Å; E222-T224 PolarHBondContact O-N 3.17Å; T224-R226 VanDerWaalsContact C-N 3.29Å; T224-R226 PolarHBondContact O-N 2.97Å; T224-L227 WeakPolarHBondContact O-CB 3.32Å; T224-L227 PolarHBondContact O-N 3.46Å; T224-L227 VanDerWaalsContact O-N 3.15Å; T224-L228 HydrophobicContact CG2-CG 4.45Å; T224-L228 VanDerWaalsContact O-CG 3.32Å; T224-L228 WeakPolarHBondContact O-CG 3.44Å; T224-L228 PolarHBondContact O-N 3.04Å; T224-F269 HydrophobicContact CG2-CE1 3.9Å; T224-F269 HydrophobicContact CG2-CZ 4.21Å |
| 225 | S | 94.3 | Very high | 92.9 | Very high | 4 Ų | 4 | 40.3 Ų | 40.3 | 3% | 0.028 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -57.7 | -42.3 | 177.2 | -60.7 | 0 | 0 | 0 | 0 | 112 | R221 E222 L228 V229 F269 W323 | R221-S225 PolarHBondContact O-N 3.05Å; R221-S225 PolarHBondContact O-OG 3.13Å; E222-S225 WeakPolarHBondContact O-CB 3.46Å; E222-S225 PolarHBondContact O-N 3.33Å; S225-L228 PolarHBondContact O-N 3.25Å; S225-V229 WeakPolarHBondContact O-CG2 3.45Å; S225-V229 PolarHBondContact O-N 3.22Å; S225-F269 WeakPolarHBondContact OG-CE1 3.5Å; S225-W323 PolarHBondContact OG-NE1 2.92Å |
| 226 | R | 93 | Very high | 92.9 | Very high | 85 Ų | 85 | 34.3 Ų | 34.3 | 32% | 0.321 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -65.2 | -44 | 175.2 | -67.1 | 178.9 | -171.2 | 163 | 3.5 | 112.6 | E222 L223 T224 L228 V229 D230 | E222-R226 PolarHBondContact O-N 3.35Å; E222-R226 IonicContact OE1-CZ 2.72Å; E222-R226 IonicContact OE1-NE 3.69Å; E222-R226 PolarHBondContact OE1-NE 3.14Å; E222-R226 IonicContact OE1-NH2 3.7Å; E222-R226 PolarHBondContact OE1-NH2 3.34Å; L223-R226 PolarHBondContact O-N 2.95Å; T224-R226 VanDerWaalsContact C-N 3.29Å; T224-R226 PolarHBondContact O-N 2.97Å; R226-L228 VanDerWaalsContact C-N 3.28Å; R226-L228 PolarHBondContact O-N 2.95Å; R226-V229 WeakPolarHBondContact O-CB 3.34Å; R226-V229 PolarHBondContact O-N 2.74Å; R226-V229 VanDerWaalsContact O-N 3.13Å; R226-D230 PolarHBondContact O-N 2.9Å; R226-D230 VanDerWaalsContact O-N 3.1Å |
| 227 | L | 95.6 | Very high | 93 | Very high | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -57.4 | -44.4 | 178 | 179.9 | 65.1 | 0 | 0 | 0 | 111.2 | Y180 T186 V189 L223 T224 V229 D230 L231 | Y180-L227 HydrophobicContact CD1-CB 4.46Å; Y180-L227 HydrophobicContact CD1-CD2 3.83Å; Y180-L227 HydrophobicContact CE1-CB 3.64Å; Y180-L227 HydrophobicContact CE1-CD1 4.37Å; Y180-L227 HydrophobicContact CE1-CD2 3.85Å; Y180-L227 HydrophobicContact CE1-CG 4.16Å; Y180-L227 HydrophobicContact CE2-CD1 4.39Å; Y180-L227 HydrophobicContact CG-CD2 4.48Å; T186-L227 HydrophobicContact CG2-CB 4.4Å; T186-L227 HydrophobicContact CG2-CD1 3.99Å; V189-L227 HydrophobicContact CB-CD1 3.85Å; V189-L227 HydrophobicContact CG1-CD1 3.81Å; V189-L227 HydrophobicContact CG1-CD2 4.35Å; V189-L227 HydrophobicContact CG2-CD1 4.12Å; L223-L227 WeakPolarHBondContact O-CB 3.46Å; L223-L227 PolarHBondContact O-N 2.95Å; T224-L227 WeakPolarHBondContact O-CB 3.32Å; T224-L227 PolarHBondContact O-N 3.46Å; T224-L227 VanDerWaalsContact O-N 3.15Å; L227-V229 VanDerWaalsContact C-N 3.26Å; L227-V229 PolarHBondContact O-N 3.23Å; L227-D230 PolarHBondContact O-N 3.12Å; L227-L231 HydrophobicContact CD1-CD1 3.84Å; L227-L231 HydrophobicContact CD1-CD2 4.3Å; L227-L231 HydrophobicContact CD1-CG 3.82Å; L227-L231 HydrophobicContact CD2-CD1 4.23Å; L227-L231 HydrophobicContact CG-CD1 3.7Å; L227-L231 HydrophobicContact CG-CG 4.06Å; L227-L231 WeakPolarHBondContact O-CB 3.37Å; L227-L231 VanDerWaalsContact O-CG 3.27Å; L227-L231 WeakPolarHBondContact O-CG 3.33Å; L227-L231 PolarHBondContact O-N 3.37Å |
| 228 | L | 95.9 | Very high | 93.1 | Very high | 3 Ų | 3 | 34.5 Ų | 34.5 | 2% | 0.016 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.2 | -34.7 | 179.3 | -68.1 | -167.1 | 0 | 0 | 0 | 112.8 | P206 V210 T224 S225 R226 C232 M241 F245 I278 | P206-L228 HydrophobicContact CB-CD2 3.65Å; P206-L228 HydrophobicContact CG-CD2 4.26Å; V210-L228 HydrophobicContact CG2-CD1 4.04Å; T224-L228 HydrophobicContact CG2-CG 4.45Å; T224-L228 VanDerWaalsContact O-CG 3.32Å; T224-L228 WeakPolarHBondContact O-CG 3.44Å; T224-L228 PolarHBondContact O-N 3.04Å; S225-L228 PolarHBondContact O-N 3.25Å; R226-L228 VanDerWaalsContact C-N 3.28Å; R226-L228 PolarHBondContact O-N 2.95Å; L228-C232 VanDerWaalsContact O-CB 3.26Å; L228-C232 WeakPolarHBondContact O-CB 3.48Å; L228-C232 PolarHBondContact O-N 2.78Å; L228-M241 HydrophobicContact CB-CE 3.75Å; L228-M241 HydrophobicContact CD1-CE 4.27Å; L228-M241 HydrophobicContact CD2-CE 4.15Å; L228-M241 HydrophobicContact CG-CE 4.25Å; L228-F245 HydrophobicContact CD1-CE2 4.19Å; L228-F245 HydrophobicContact CD1-CZ 4.05Å; L228-I278 HydrophobicContact CB-CD1 3.91Å; L228-I278 HydrophobicContact CD1-CD1 4.33Å |
| 229 | V | 94.2 | Very high | 93.1 | Very high | 46 Ų | 46 | 37.1 Ų | 37.1 | 28% | 0.279 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -68 | -48.8 | 175 | 178.9 | 0 | 0 | 0 | 0 | 110.8 | S225 R226 L227 L231 C232 D276 I278 | S225-V229 WeakPolarHBondContact O-CG2 3.45Å; S225-V229 PolarHBondContact O-N 3.22Å; R226-V229 WeakPolarHBondContact O-CB 3.34Å; R226-V229 PolarHBondContact O-N 2.74Å; R226-V229 VanDerWaalsContact O-N 3.13Å; L227-V229 VanDerWaalsContact C-N 3.26Å; L227-V229 PolarHBondContact O-N 3.23Å; V229-L231 PolarHBondContact O-N 3.32Å; V229-C232 PolarHBondContact O-N 2.88Å; V229-D276 HydrophobicContact CG2-CB 3.52Å; V229-D276 VanDerWaalsContact CG2-CG 3.4Å; V229-D276 WeakPolarHBondContact CG2-OD2 3.5Å; V229-I278 HydrophobicContact CG2-CG2 4.25Å |
| 230 | D | 94 | Very high | 93.3 | Very high | 82 Ų | 82 | 37.4 Ų | 37.4 | 44% | 0.439 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -71.2 | -30.1 | -175.3 | -69.3 | -10 | 0 | 0 | 0 | 112.8 | T186 R226 L227 S234 | T186-D230 VanDerWaalsContact CB-OD2 3.22Å; T186-D230 WeakPolarHBondContact CB-OD2 3.4Å; T186-D230 HydrophobicContact CG2-CB 4.22Å; T186-D230 VanDerWaalsContact CG2-OD2 3.27Å; T186-D230 WeakPolarHBondContact CG2-OD2 3.45Å; T186-D230 PolarHBondContact OG1-OD2 3.32Å; R226-D230 PolarHBondContact O-N 2.9Å; R226-D230 VanDerWaalsContact O-N 3.1Å; L227-D230 PolarHBondContact O-N 3.12Å; D230-S234 PolarHBondContact O-OG 3.19Å |
| 231 | L | 94.5 | Very high | 93.3 | Very high | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -75.3 | -27.3 | 173.5 | -68.8 | -178.1 | 0 | 0 | 0 | 112.7 | V189 A190 L193 V205 L227 V229 G233 S234 V235 L236 | V189-L231 HydrophobicContact CG1-CD1 4.5Å; V189-L231 HydrophobicContact CG1-CD2 4.44Å; A190-L231 HydrophobicContact CB-CD2 3.94Å; L193-L231 HydrophobicContact CD1-CD1 3.87Å; L193-L231 HydrophobicContact CD1-CD2 3.97Å; V205-L231 HydrophobicContact CG1-CD1 4.47Å; L227-L231 HydrophobicContact CD1-CD1 3.84Å; L227-L231 HydrophobicContact CD1-CD2 4.3Å; L227-L231 HydrophobicContact CD1-CG 3.82Å; L227-L231 HydrophobicContact CD2-CD1 4.23Å; L227-L231 HydrophobicContact CG-CD1 3.7Å; L227-L231 HydrophobicContact CG-CG 4.06Å; L227-L231 WeakPolarHBondContact O-CB 3.37Å; L227-L231 VanDerWaalsContact O-CG 3.27Å; L227-L231 WeakPolarHBondContact O-CG 3.33Å; L227-L231 PolarHBondContact O-N 3.37Å; V229-L231 PolarHBondContact O-N 3.32Å; L231-G233 PolarHBondContact O-N 3.4Å; L231-S234 WeakPolarHBondContact CA-OG 3.24Å; L231-S234 PolarHBondContact O-N 3.41Å; L231-S234 PolarHBondContact O-OG 2.97Å; L231-V235 HydrophobicContact CD2-CB 4.39Å; L231-V235 HydrophobicContact CD2-CG2 4.23Å; L231-V235 PolarHBondContact O-N 3.18Å; L231-V235 VanDerWaalsContact O-N 3.08Å; L231-L236 HydrophobicContact CB-CD1 4.04Å; L231-L236 HydrophobicContact CB-CG 4.36Å; L231-L236 HydrophobicContact CD1-CD1 4.32Å; L231-L236 PolarHBondContact O-N 2.65Å |
| 232 | C | 93.4 | Very high | 93.3 | Very high | 21 Ų | 21 | 36.6 Ų | 36.6 | 14% | 0.142 | 22% | 0.22 | C | C | . | . | B | Isolated β-bridge | trans | -73.4 | 121.9 | 179.8 | -170 | 0 | 0 | 0 | 0 | 110.3 | L228 V229 S234 H238 M241 I278 | L228-C232 VanDerWaalsContact O-CB 3.26Å; L228-C232 WeakPolarHBondContact O-CB 3.48Å; L228-C232 PolarHBondContact O-N 2.78Å; V229-C232 PolarHBondContact O-N 2.88Å; C232-S234 VanDerWaalsContact C-N 3.32Å; C232-S234 PolarHBondContact O-N 3.09Å; C232-H238 VanDerWaalsContact SG-CE1 3.55Å; C232-M241 HydrophobicContact CB-CG 4.36Å; C232-I278 HydrophobicContact CB-CB 4.42Å; C232-I278 HydrophobicContact CB-CG2 3.69Å |
| 233 | G | 86.4 | Confident | 93.4 | Very high | 71 Ų | 71 | 38.6 Ų | 38.6 | 73% | 0.732 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 91.3 | -24.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | L231 L236 | L231-G233 PolarHBondContact O-N 3.4Å; G233-L236 PolarHBondContact N-O 2.93Å |
| 234 | S | 86.6 | Confident | 93.5 | Very high | 78 Ų | 78 | 38 Ų | 38 | 55% | 0.545 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | -57.5 | 176 | 60.4 | 0 | 0 | 0 | 0 | 111.7 | D230 L231 C232 | D230-S234 PolarHBondContact O-OG 3.19Å; L231-S234 WeakPolarHBondContact CA-OG 3.24Å; L231-S234 PolarHBondContact O-N 3.41Å; L231-S234 PolarHBondContact O-OG 2.97Å; C232-S234 VanDerWaalsContact C-N 3.32Å; C232-S234 PolarHBondContact O-N 3.09Å |
| 235 | V | 89.1 | Confident | 93.5 | Very high | 26 Ų | 26 | 38 Ų | 38 | 16% | 0.158 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.6 | -35.7 | -176.1 | -178.1 | 0 | 0 | 0 | 0 | 111.4 | A190 L193 L231 | A190-V235 HydrophobicContact CB-CG2 3.92Å; L193-V235 HydrophobicContact CB-CG1 4.06Å; L231-V235 HydrophobicContact CD2-CB 4.39Å; L231-V235 HydrophobicContact CD2-CG2 4.23Å; L231-V235 PolarHBondContact O-N 3.18Å; L231-V235 VanDerWaalsContact O-N 3.08Å |
| 236 | L | 93.4 | Very high | 93.4 | Very high | 4 Ų | 4 | 40.4 Ų | 40.4 | 2% | 0.021 | 25% | 0.245 | C | C | . | . | B | Isolated β-bridge | trans | -114 | 142.1 | -174.5 | -58.9 | 178.5 | 0 | 0 | 0 | 111.3 | R202 P206 L231 G233 D240 M241 | R202-L236 HydrophobicContact CB-CD2 3.78Å; R202-L236 HydrophobicContact CG-CD2 4.44Å; R202-L236 WeakPolarHBondContact O-CD2 3.35Å; P206-L236 HydrophobicContact CG-CD1 3.51Å; L231-L236 HydrophobicContact CB-CD1 4.04Å; L231-L236 HydrophobicContact CB-CG 4.36Å; L231-L236 HydrophobicContact CD1-CD1 4.32Å; L231-L236 PolarHBondContact O-N 2.65Å; G233-L236 PolarHBondContact N-O 2.93Å; L236-D240 HydrophobicContact CB-CB 4.45Å; L236-M241 HydrophobicContact CB-SD 4.3Å; L236-M241 HydrophobicContact CD1-SD 3.95Å |
| 237 | S | 94.1 | Very high | 93.4 | Very high | 51 Ų | 51 | 39.3 Ų | 39.3 | 36% | 0.357 | 24% | 0.242 | S | C | . | . | trans | -86.3 | 161.3 | 172.4 | 73 | 0 | 0 | 0 | 0 | 111.6 | S239 D240 M241 | S237-S239 PolarHBondContact O-N 3.16Å; S237-S239 PolarHBondContact OG-N 2.73Å; S237-D240 WeakPolarHBondContact CB-OD2 3.4Å; S237-D240 PolarHBondContact N-OD2 2.87Å; S237-D240 WeakPolarHBondContact O-CB 3.27Å; S237-D240 PolarHBondContact O-N 3.21Å; S237-D240 PolarHBondContact OG-N 3.42Å; S237-D240 PolarHBondContact OG-OD2 3.42Å; S237-M241 WeakPolarHBondContact O-CG 3.28Å; S237-M241 PolarHBondContact O-N 3.27Å; S237-M241 VanDerWaalsContact O-N 3.07Å | ||
| 238 | H | 94.5 | Very high | 93.4 | Very high | 102 Ų | 102 | 39.3 Ų | 39.3 | 47% | 0.472 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -57.2 | -32.5 | 171.7 | -73 | -76 | 0 | 0 | 0 | 112.8 | C232 D240 M241 E242 Q277 I278 | C232-H238 VanDerWaalsContact SG-CE1 3.55Å; H238-D240 VanDerWaalsContact C-N 3.34Å; H238-M241 WeakPolarHBondContact O-CB 3.31Å; H238-M241 PolarHBondContact O-N 2.89Å; H238-E242 PolarHBondContact O-N 3.38Å; H238-Q277 PolarHBondContact CE1-O 2.77Å; H238-I278 PolarHBondContact ND1-O 2.93Å; H238-I278 VanDerWaalsContact ND1-O 3.07Å |
| 239 | S | 93.6 | Very high | 93.2 | Very high | 74 Ų | 74 | 39.5 Ų | 39.5 | 52% | 0.517 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -67.1 | -36.2 | 175.8 | -172.6 | 0 | 0 | 0 | 0 | 111.9 | S237 M241 S243 | S237-S239 PolarHBondContact O-N 3.16Å; S237-S239 PolarHBondContact OG-N 2.73Å; S239-M241 VanDerWaalsContact C-N 3.34Å; S239-S243 WeakPolarHBondContact O-CB 3.3Å; S239-S243 PolarHBondContact O-N 3.49Å; S239-S243 PolarHBondContact O-OG 2.86Å |
| 240 | D | 94.6 | Very high | 93.1 | Very high | 33 Ų | 33 | 46.3 Ų | 46.3 | 18% | 0.176 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66.3 | -42.1 | 174.8 | -59.1 | -49.9 | 0 | 0 | 0 | 109.9 | S203 L236 S237 H238 S243 S244 | S203-D240 WeakPolarHBondContact CB-O 3.4Å; L236-D240 HydrophobicContact CB-CB 4.45Å; S237-D240 WeakPolarHBondContact CB-OD2 3.4Å; S237-D240 PolarHBondContact N-OD2 2.87Å; S237-D240 WeakPolarHBondContact O-CB 3.27Å; S237-D240 PolarHBondContact O-N 3.21Å; S237-D240 PolarHBondContact OG-N 3.42Å; S237-D240 PolarHBondContact OG-OD2 3.42Å; H238-D240 VanDerWaalsContact C-N 3.34Å; D240-S243 PolarHBondContact O-N 3.38Å; D240-S244 WeakPolarHBondContact O-CB 3.46Å; D240-S244 PolarHBondContact O-N 3.43Å; D240-S244 PolarHBondContact O-OG 3.45Å |
| 241 | M | 95.6 | Very high | 93 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.9 | -51.6 | 176.6 | -61.2 | -59 | -77.4 | 0 | 0 | 111.5 | P206 L228 C232 L236 S237 H238 S239 S243 S244 F245 I278 L279 | P206-M241 HydrophobicContact CB-SD 4.29Å; P206-M241 HydrophobicContact CG-SD 3.66Å; L228-M241 HydrophobicContact CB-CE 3.75Å; L228-M241 HydrophobicContact CD1-CE 4.27Å; L228-M241 HydrophobicContact CD2-CE 4.15Å; L228-M241 HydrophobicContact CG-CE 4.25Å; C232-M241 HydrophobicContact CB-CG 4.36Å; L236-M241 HydrophobicContact CB-SD 4.3Å; L236-M241 HydrophobicContact CD1-SD 3.95Å; S237-M241 WeakPolarHBondContact O-CG 3.28Å; S237-M241 PolarHBondContact O-N 3.27Å; S237-M241 VanDerWaalsContact O-N 3.07Å; H238-M241 WeakPolarHBondContact O-CB 3.31Å; H238-M241 PolarHBondContact O-N 2.89Å; S239-M241 VanDerWaalsContact C-N 3.34Å; M241-S243 PolarHBondContact O-N 3.2Å; M241-S244 WeakPolarHBondContact O-CB 3.22Å; M241-S244 PolarHBondContact O-N 2.89Å; M241-S244 VanDerWaalsContact O-N 3.12Å; M241-F245 WeakPolarHBondContact O-CD2 3.42Å; M241-F245 PolarHBondContact O-N 2.98Å; M241-F245 VanDerWaalsContact O-N 3.08Å; M241-I278 HydrophobicContact CE-CB 4.12Å; M241-I278 HydrophobicContact CE-CD1 3.5Å; M241-I278 VanDerWaalsContact CE-CD1 3.5Å; M241-I278 HydrophobicContact CE-CG1 4.33Å; M241-L279 HydrophobicContact CB-CD2 4.48Å |
| 242 | E | 94.7 | Very high | 92.9 | Very high | 64 Ų | 64 | 44.7 Ų | 44.7 | 30% | 0.299 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -57 | -48.8 | 176.7 | -72.3 | -173.4 | 159 | 0 | 0 | 110.9 | H238 S244 F245 D246 L279 S280 Y283 | H238-E242 PolarHBondContact O-N 3.38Å; E242-S244 PolarHBondContact O-N 2.94Å; E242-F245 PolarHBondContact O-N 3.11Å; E242-F245 VanDerWaalsContact O-N 3.13Å; E242-D246 PolarHBondContact O-N 3.18Å; E242-L279 HydrophobicContact CB-CD2 4.32Å; E242-L279 HydrophobicContact CG-CD2 3.69Å; E242-S280 WeakPolarHBondContact OE1-CB 3.34Å; E242-S280 PolarHBondContact OE1-OG 3.05Å; E242-Y283 HydrophobicContact CB-CE2 4.35Å; E242-Y283 HydrophobicContact CG-CD2 4.17Å; E242-Y283 HydrophobicContact CG-CE2 4.35Å |
| 243 | S | 94.4 | Very high | 92.8 | Very high | 51 Ų | 51 | 44.5 Ų | 44.5 | 36% | 0.357 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -58.9 | -34.8 | 177.7 | -56.6 | 0 | 0 | 0 | 0 | 113 | S239 D240 M241 K247 | S239-S243 WeakPolarHBondContact O-CB 3.3Å; S239-S243 PolarHBondContact O-N 3.49Å; S239-S243 PolarHBondContact O-OG 2.86Å; D240-S243 PolarHBondContact O-N 3.38Å; M241-S243 PolarHBondContact O-N 3.2Å; S243-K247 PolarHBondContact O-N 2.92Å; S243-K247 VanDerWaalsContact O-N 3.07Å |
| 244 | S | 95.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -67.4 | -43.7 | 177.5 | -50.5 | 0 | 0 | 0 | 0 | 112.1 | S203 P206 D240 M241 E242 K247 L248 | S203-S244 WeakPolarHBondContact CA-OG 3.29Å; S203-S244 WeakPolarHBondContact O-CA 3.49Å; S203-S244 VanDerWaalsContact O-CB 3.32Å; S203-S244 WeakPolarHBondContact O-CB 3.28Å; S203-S244 PolarHBondContact O-OG 3.22Å; P206-S244 WeakPolarHBondContact CD-OG 3.42Å; P206-S244 VanDerWaalsContact CG-OG 3.26Å; P206-S244 WeakPolarHBondContact CG-OG 3.46Å; D240-S244 WeakPolarHBondContact O-CB 3.46Å; D240-S244 PolarHBondContact O-N 3.43Å; D240-S244 PolarHBondContact O-OG 3.45Å; M241-S244 WeakPolarHBondContact O-CB 3.22Å; M241-S244 PolarHBondContact O-N 2.89Å; M241-S244 VanDerWaalsContact O-N 3.12Å; E242-S244 PolarHBondContact O-N 2.94Å; S244-K247 PolarHBondContact O-N 3.49Å; S244-L248 WeakPolarHBondContact O-CG 3.2Å; S244-L248 PolarHBondContact O-N 3.26Å |
| 245 | F | 95.4 | Very high | 93.5 | Very high | 1 Ų | 1 | 43.3 Ų | 43.3 | 0% | 0.004 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -71.3 | -32.7 | 178.2 | -83.4 | -87.7 | 0 | 0 | 0 | 112 | L228 M241 E242 K247 L248 L249 F269 I270 A273 I278 L279 Y283 | L228-F245 HydrophobicContact CD1-CE2 4.19Å; L228-F245 HydrophobicContact CD1-CZ 4.05Å; M241-F245 WeakPolarHBondContact O-CD2 3.42Å; M241-F245 PolarHBondContact O-N 2.98Å; M241-F245 VanDerWaalsContact O-N 3.08Å; E242-F245 PolarHBondContact O-N 3.11Å; E242-F245 VanDerWaalsContact O-N 3.13Å; F245-K247 VanDerWaalsContact C-N 3.3Å; F245-K247 PolarHBondContact O-N 3.03Å; F245-L248 HydrophobicContact CD1-CD1 4.04Å; F245-L248 HydrophobicContact CE1-CD1 4.29Å; F245-L248 HydrophobicContact CG-CD1 4.4Å; F245-L248 PolarHBondContact O-N 2.89Å; F245-L249 WeakPolarHBondContact O-CG 3.37Å; F245-L249 PolarHBondContact O-N 3.29Å; F245-F269 HydrophobicContact CE1-CB 4.02Å; F245-F269 HydrophobicContact CZ-CB 4.48Å; F245-I270 HydrophobicContact CD1-CG1 3.64Å; F245-I270 HydrophobicContact CE1-CG1 3.91Å; F245-A273 HydrophobicContact CE1-CB 4.34Å; F245-A273 HydrophobicContact CE2-CB 4.06Å; F245-A273 HydrophobicContact CZ-CB 3.7Å; F245-I278 HydrophobicContact CE2-CD1 4.37Å; F245-L279 HydrophobicContact CB-CD1 4.27Å; F245-L279 HydrophobicContact CB-CD2 4.41Å; F245-L279 HydrophobicContact CD1-CD1 4.07Å; F245-L279 HydrophobicContact CD2-CD1 3.75Å; F245-L279 HydrophobicContact CD2-CD2 3.82Å; F245-L279 HydrophobicContact CD2-CG 4.05Å; F245-L279 HydrophobicContact CE1-CD1 4.31Å; F245-L279 HydrophobicContact CE2-CD1 4.02Å; F245-L279 HydrophobicContact CE2-CD2 4.45Å; F245-L279 HydrophobicContact CE2-CG 4.27Å; F245-L279 HydrophobicContact CG-CD1 3.77Å; F245-L279 HydrophobicContact CG-CD2 4.31Å; F245-L279 HydrophobicContact CZ-CD1 4.3Å; F245-Y283 VanDerWaalsContact C-OH 3.27Å; F245-Y283 HydrophobicContact CB-CE1 4.33Å; F245-Y283 VanDerWaalsContact CB-OH 3.31Å; F245-Y283 WeakPolarHBondContact CB-OH 3.46Å |
| 246 | D | 93.3 | Very high | 93.8 | Very high | 55 Ų | 55 | 44 Ų | 44 | 29% | 0.294 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -61.7 | -41.6 | 171.7 | -67.4 | 12.6 | 0 | 0 | 0 | 111 | E242 R250 Y283 Y287 | E242-D246 PolarHBondContact O-N 3.18Å; D246-R250 PolarHBondContact O-N 2.96Å; D246-Y283 PolarHBondContact N-OH 3.31Å; D246-Y283 WeakPolarHBondContact OD1-CE2 3.46Å; D246-Y283 PolarHBondContact OD1-OH 3.49Å; D246-Y287 WeakPolarHBondContact CB-OH 3.48Å; D246-Y287 PolarHBondContact OD1-OH 3.2Å; D246-Y287 PolarHBondContact OD2-OH 3.37Å |
| 247 | K | 93.1 | Very high | 93.8 | Very high | 61 Ų | 61 | 50.2 Ų | 50.2 | 27% | 0.265 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -65.5 | -46.9 | 173.2 | -178 | 177.2 | 177.7 | 175.6 | 0 | 111.6 | E204 S243 S244 F245 L249 R250 D251 | E204-K247 WeakPolarHBondContact OE1-CD 3.01Å; E204-K247 IonicContact OE1-NZ 2.78Å; E204-K247 PolarHBondContact OE1-NZ 3.05Å; E204-K247 WeakPolarHBondContact OE2-CD 3.47Å; E204-K247 VanDerWaalsContact OE2-CE 3.27Å; E204-K247 WeakPolarHBondContact OE2-CE 3.16Å; E204-K247 IonicContact OE2-NZ 2.65Å; E204-K247 PolarHBondContact OE2-NZ 2.83Å; S243-K247 PolarHBondContact O-N 2.92Å; S243-K247 VanDerWaalsContact O-N 3.07Å; S244-K247 PolarHBondContact O-N 3.49Å; F245-K247 VanDerWaalsContact C-N 3.3Å; F245-K247 PolarHBondContact O-N 3.03Å; K247-L249 VanDerWaalsContact C-N 3.25Å; K247-L249 PolarHBondContact O-N 3.28Å; K247-R250 CarbonylContact O-C 3.38Å; K247-R250 WeakPolarHBondContact O-CA 3.24Å; K247-R250 VanDerWaalsContact O-CB 3.3Å; K247-R250 WeakPolarHBondContact O-CB 3.29Å; K247-R250 PolarHBondContact O-N 3.25Å; K247-D251 WeakPolarHBondContact CE-OD2 3.32Å; K247-D251 VanDerWaalsContact CG-OD2 3.3Å; K247-D251 WeakPolarHBondContact CG-OD2 3.36Å; K247-D251 PolarHBondContact O-N 3.45Å |
| 248 | L | 94.1 | Very high | 93.9 | Very high | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.005 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -55 | -40.5 | 176.7 | -79.3 | 167.9 | 0 | 0 | 0 | 112.6 | V210 S244 F245 R250 L252 L255 | V210-L248 HydrophobicContact CB-CD1 3.77Å; V210-L248 HydrophobicContact CB-CD2 4.04Å; V210-L248 HydrophobicContact CG1-CD1 3.8Å; V210-L248 HydrophobicContact CG1-CD2 3.91Å; V210-L248 HydrophobicContact CG2-CD1 3.98Å; S244-L248 WeakPolarHBondContact O-CG 3.2Å; S244-L248 PolarHBondContact O-N 3.26Å; F245-L248 HydrophobicContact CD1-CD1 4.04Å; F245-L248 HydrophobicContact CE1-CD1 4.29Å; F245-L248 HydrophobicContact CG-CD1 4.4Å; F245-L248 PolarHBondContact O-N 2.89Å; L248-R250 VanDerWaalsContact C-N 3.32Å; L248-L252 WeakPolarHBondContact O-CB 3.2Å; L248-L252 PolarHBondContact O-N 3.5Å; L248-L255 HydrophobicContact CD2-CD1 4.17Å |
| 249 | L | 92.6 | Very high | 93.8 | Very high | 7 Ų | 7 | 49.4 Ų | 49.4 | 4% | 0.037 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -67.8 | -32.1 | 175.8 | -73 | 172.9 | 0 | 0 | 0 | 112.7 | F245 K247 L252 V266 I270 Y287 C299 A302 L303 | F245-L249 WeakPolarHBondContact O-CG 3.37Å; F245-L249 PolarHBondContact O-N 3.29Å; K247-L249 VanDerWaalsContact C-N 3.25Å; K247-L249 PolarHBondContact O-N 3.28Å; L249-L252 HydrophobicContact CD2-CD2 4.45Å; L249-L252 WeakPolarHBondContact O-CB 3.3Å; L249-V266 HydrophobicContact CD2-CG1 4.38Å; L249-I270 HydrophobicContact CD1-CD1 4.47Å; L249-I270 HydrophobicContact CD2-CD1 4.03Å; L249-I270 HydrophobicContact CG-CD1 4.41Å; L249-Y287 HydrophobicContact CD1-CE1 4.22Å; L249-Y287 HydrophobicContact CD1-CE2 4.21Å; L249-C299 HydrophobicContact CD2-CB 4.49Å; L249-C299 PolarHBondContact O-SG 3.43Å; L249-A302 HydrophobicContact CD2-CB 4.2Å; L249-L303 HydrophobicContact CD1-CD2 4.16Å |
| 250 | R | 91.6 | Very high | 93.8 | Very high | 189 Ų | 189 | 51.1 Ų | 51.1 | 71% | 0.713 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -71.9 | -40.8 | 176.3 | -170.5 | -175.9 | -57.2 | 167.4 | 6.9 | 112 | D246 K247 L248 L252 P253 | D246-R250 PolarHBondContact O-N 2.96Å; K247-R250 CarbonylContact O-C 3.38Å; K247-R250 WeakPolarHBondContact O-CA 3.24Å; K247-R250 VanDerWaalsContact O-CB 3.3Å; K247-R250 WeakPolarHBondContact O-CB 3.29Å; K247-R250 PolarHBondContact O-N 3.25Å; L248-R250 VanDerWaalsContact C-N 3.32Å; R250-L252 VanDerWaalsContact C-N 3.31Å; R250-P253 WeakPolarHBondContact O-CD 3.48Å |
| 251 | D | 92.8 | Very high | 93.7 | Very high | 49 Ų | 49 | 51 Ų | 51 | 26% | 0.262 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -85.4 | -8 | -177.7 | -60.8 | -7.3 | 0 | 0 | 0 | 112 | K247 P253 D254 L255 | K247-D251 WeakPolarHBondContact CE-OD2 3.32Å; K247-D251 VanDerWaalsContact CG-OD2 3.3Å; K247-D251 WeakPolarHBondContact CG-OD2 3.36Å; K247-D251 PolarHBondContact O-N 3.45Å; D251-P253 VanDerWaalsContact C-N 3.3Å; D251-P253 VanDerWaalsContact O-N 3.16Å; D251-D254 PolarHBondContact O-N 3.45Å; D251-L255 WeakPolarHBondContact O-CG 3.39Å; D251-L255 PolarHBondContact O-N 3.08Å |
| 252 | L | 92.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -50.3 | -37.3 | 179.4 | -165.3 | 59.1 | 0 | 0 | 0 | 115.2 | L248 L249 R250 D254 L255 V256 A262 P263 V266 I298 A302 | L248-L252 WeakPolarHBondContact O-CB 3.2Å; L248-L252 PolarHBondContact O-N 3.5Å; L249-L252 HydrophobicContact CD2-CD2 4.45Å; L249-L252 WeakPolarHBondContact O-CB 3.3Å; R250-L252 VanDerWaalsContact C-N 3.31Å; L252-D254 VanDerWaalsContact C-N 3.29Å; L252-D254 PolarHBondContact O-N 3.04Å; L252-L255 PolarHBondContact O-N 3.38Å; L252-V256 VanDerWaalsContact O-CG2 3.23Å; L252-V256 WeakPolarHBondContact O-CG2 3.38Å; L252-V256 PolarHBondContact O-N 3.32Å; L252-A262 HydrophobicContact CD1-CB 3.97Å; L252-P263 HydrophobicContact CD2-CB 4.29Å; L252-P263 HydrophobicContact CD2-CG 4.46Å; L252-P263 HydrophobicContact CG-CG 4.49Å; L252-V266 HydrophobicContact CD1-CB 4.18Å; L252-V266 HydrophobicContact CD1-CG2 3.78Å; L252-I298 HydrophobicContact CD2-CG2 3.74Å; L252-I298 HydrophobicContact CG-CG2 3.76Å; L252-A302 HydrophobicContact CD2-CB 3.93Å |
| 253 | P | 91.5 | Very high | 93.6 | Very high | 17 Ų | 17 | 48.4 Ų | 48.4 | 11% | 0.11 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.6 | -37.5 | 175.2 | -25.8 | 38.7 | 0 | 0 | 0 | 113.5 | R250 D251 H295 | R250-P253 WeakPolarHBondContact O-CD 3.48Å; D251-P253 VanDerWaalsContact C-N 3.3Å; D251-P253 VanDerWaalsContact O-N 3.16Å; P253-H295 HydrophobicContact CB-CB 4.35Å; P253-H295 VanDerWaalsContact CB-CD2 3.44Å; P253-H295 WeakPolarHBondContact CB-CD2 3.15Å; P253-H295 HydrophobicContact CG-CB 3.48Å; P253-H295 VanDerWaalsContact CG-CB 3.48Å |
| 254 | D | 93.4 | Very high | 93.6 | Very high | 105 Ų | 105 | 50.1 Ų | 50.1 | 56% | 0.561 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -76.3 | -42.4 | 178.6 | -64.5 | -24.1 | 0 | 0 | 0 | 109.7 | D251 L252 V256 L257 | D251-D254 PolarHBondContact O-N 3.45Å; L252-D254 VanDerWaalsContact C-N 3.29Å; L252-D254 PolarHBondContact O-N 3.04Å; D254-V256 PolarHBondContact O-N 2.95Å; D254-V256 VanDerWaalsContact O-N 3.15Å; D254-L257 WeakPolarHBondContact O-CB 3.48Å; D254-L257 WeakPolarHBondContact O-CG 3.36Å; D254-L257 PolarHBondContact O-N 3.33Å |
| 255 | L | 93.6 | Very high | 93.5 | Very high | 20 Ų | 20 | 51.3 Ų | 51.3 | 11% | 0.105 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59.2 | -28.4 | 175.9 | -65.2 | 172.8 | 0 | 0 | 0 | 113.3 | L214 L248 D251 L252 L257 D258 T259 A262 | L214-L255 HydrophobicContact CD1-CB 4.43Å; L214-L255 HydrophobicContact CD1-CD1 3.92Å; L214-L255 HydrophobicContact CD1-CD2 4.44Å; L248-L255 HydrophobicContact CD2-CD1 4.17Å; D251-L255 WeakPolarHBondContact O-CG 3.39Å; D251-L255 PolarHBondContact O-N 3.08Å; L252-L255 PolarHBondContact O-N 3.38Å; L255-L257 VanDerWaalsContact C-N 3.25Å; L255-L257 PolarHBondContact O-N 3.16Å; L255-D258 PolarHBondContact O-N 3.02Å; L255-T259 PolarHBondContact O-N 3.09Å; L255-A262 HydrophobicContact CB-CB 4.19Å |
| 256 | V | 95 | Very high | 93.5 | Very high | 39 Ų | 39 | 51.3 Ų | 51.3 | 24% | 0.236 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -66.7 | -27.8 | 175.4 | 166.6 | 0 | 0 | 0 | 0 | 112.3 | L252 D254 D258 T259 A262 P263 I298 | L252-V256 VanDerWaalsContact O-CG2 3.23Å; L252-V256 WeakPolarHBondContact O-CG2 3.38Å; L252-V256 PolarHBondContact O-N 3.32Å; D254-V256 PolarHBondContact O-N 2.95Å; D254-V256 VanDerWaalsContact O-N 3.15Å; V256-D258 VanDerWaalsContact C-N 3.32Å; V256-T259 WeakPolarHBondContact CA-O 3.4Å; V256-T259 CarbonylContact O-C 3.6Å; V256-A262 HydrophobicContact CG2-CB 4.21Å; V256-P263 HydrophobicContact CG2-CG 3.69Å; V256-I298 HydrophobicContact CG2-CG2 3.96Å |
| 257 | L | 94 | Very high | 93.6 | Very high | 135 Ų | 135 | 48.7 Ų | 48.7 | 71% | 0.707 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -64.8 | -40.6 | 179.9 | -57.5 | 178.1 | 0 | 0 | 0 | 111 | D254 L255 | D254-L257 WeakPolarHBondContact O-CB 3.48Å; D254-L257 WeakPolarHBondContact O-CG 3.36Å; D254-L257 PolarHBondContact O-N 3.33Å; L255-L257 VanDerWaalsContact C-N 3.25Å; L255-L257 PolarHBondContact O-N 3.16Å |
| 258 | D | 94.9 | Very high | 93.6 | Very high | 118 Ų | 118 | 47 Ų | 47 | 63% | 0.631 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -88.1 | -35.5 | 178.4 | -60.3 | -49.7 | 0 | 0 | 0 | 111.8 | L255 V256 | L255-D258 PolarHBondContact O-N 3.02Å; V256-D258 VanDerWaalsContact C-N 3.32Å |
| 259 | T | 93.1 | Very high | 93.7 | Very high | 19 Ų | 19 | 47.1 Ų | 47.1 | 12% | 0.117 | 25% | 0.249 | C | C | . | . | trans | -127.5 | 95.3 | -179 | -58.2 | 0 | 0 | 0 | 0 | 111.1 | L214 L255 V256 G261 A262 L265 | L214-T259 HydrophobicContact CB-CG2 4.46Å; L255-T259 PolarHBondContact O-N 3.09Å; V256-T259 WeakPolarHBondContact CA-O 3.4Å; V256-T259 CarbonylContact O-C 3.6Å; T259-G261 PolarHBondContact O-N 3.17Å; T259-A262 HydrophobicContact CG2-CB 4.28Å; T259-A262 WeakPolarHBondContact O-CB 3.3Å; T259-A262 PolarHBondContact O-N 2.78Å; T259-L265 HydrophobicContact CG2-CD1 3.97Å | ||
| 260 | P | 93.1 | Very high | 93.8 | Very high | 110 Ų | 110 | 46.8 Ų | 46.8 | 71% | 0.714 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -26.3 | -177.3 | -28.2 | 35 | 0 | 0 | 0 | 115.1 | ||
| 261 | G | 92.3 | Very high | 93.8 | Very high | 30 Ų | 30 | 37.8 Ų | 37.8 | 31% | 0.309 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | 6.9 | 176 | 0 | 0 | 0 | 0 | 0 | 115.2 | T259 P263 Q264 L265 | T259-G261 PolarHBondContact O-N 3.17Å; G261-P263 VanDerWaalsContact C-N 3.32Å; G261-Q264 PolarHBondContact O-N 3.32Å; G261-Q264 VanDerWaalsContact O-N 3.16Å; G261-Q264 PolarHBondContact O-OE1 3.36Å; G261-Q264 VanDerWaalsContact O-OE1 3.11Å; G261-L265 WeakPolarHBondContact O-CG 3.36Å; G261-L265 PolarHBondContact O-N 3.44Å |
| 262 | A | 94.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -50.8 | -40.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | L214 L252 L255 V256 T259 Q264 L265 V266 | L214-A262 HydrophobicContact CD1-CB 4.25Å; L252-A262 HydrophobicContact CD1-CB 3.97Å; L255-A262 HydrophobicContact CB-CB 4.19Å; V256-A262 HydrophobicContact CG2-CB 4.21Å; T259-A262 HydrophobicContact CG2-CB 4.28Å; T259-A262 WeakPolarHBondContact O-CB 3.3Å; T259-A262 PolarHBondContact O-N 2.78Å; A262-Q264 VanDerWaalsContact C-N 3.33Å; A262-Q264 PolarHBondContact O-N 3.05Å; A262-L265 PolarHBondContact O-N 3.44Å; A262-V266 WeakPolarHBondContact O-CB 3.09Å; A262-V266 WeakPolarHBondContact O-CG2 3.31Å; A262-V266 PolarHBondContact O-N 3.38Å |
| 263 | P | 94 | Very high | 93.8 | Very high | 9 Ų | 9 | 36.7 Ų | 36.7 | 6% | 0.058 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.6 | -40.6 | -178.4 | -24 | 36.8 | 0 | 0 | 0 | 112.1 | L252 V256 G261 G267 I298 A301 A302 | L252-P263 HydrophobicContact CD2-CB 4.29Å; L252-P263 HydrophobicContact CD2-CG 4.46Å; L252-P263 HydrophobicContact CG-CG 4.49Å; V256-P263 HydrophobicContact CG2-CG 3.69Å; G261-P263 VanDerWaalsContact C-N 3.32Å; P263-G267 PolarHBondContact O-N 2.76Å; P263-I298 HydrophobicContact CB-CG2 4.17Å; P263-I298 HydrophobicContact CG-CG2 3.49Å; P263-I298 VanDerWaalsContact CG-CG2 3.49Å; P263-A301 HydrophobicContact CB-CB 4.4Å; P263-A302 HydrophobicContact CB-CB 4.44Å; P263-A302 VanDerWaalsContact O-CA 3.23Å; P263-A302 WeakPolarHBondContact O-CA 3.43Å; P263-A302 WeakPolarHBondContact O-CB 3.38Å |
| 264 | Q | 93.8 | Very high | 93.8 | Very high | 88 Ų | 88 | 36.2 Ų | 36.2 | 41% | 0.411 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -70.3 | -36.4 | 178.8 | -64.9 | 76.4 | 18.4 | 0 | 0 | 111.7 | G261 A262 Q268 | G261-Q264 PolarHBondContact O-N 3.32Å; G261-Q264 VanDerWaalsContact O-N 3.16Å; G261-Q264 PolarHBondContact O-OE1 3.36Å; G261-Q264 VanDerWaalsContact O-OE1 3.11Å; A262-Q264 VanDerWaalsContact C-N 3.33Å; A262-Q264 PolarHBondContact O-N 3.05Å; Q264-Q268 VanDerWaalsContact O-CG 3.31Å; Q264-Q268 WeakPolarHBondContact O-CG 3.32Å; Q264-Q268 PolarHBondContact O-N 3.41Å; Q264-Q268 VanDerWaalsContact O-N 3.12Å |
| 265 | L | 95 | Very high | 93.7 | Very high | 25 Ų | 25 | 33.3 Ų | 33.3 | 13% | 0.131 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -71.9 | -46.1 | 178.4 | -63.3 | 173.3 | 0 | 0 | 0 | 111.3 | L214 T259 G261 A262 G267 Q268 F269 W323 | L214-L265 HydrophobicContact CD2-CB 3.35Å; L214-L265 HydrophobicContact CD2-CD1 3.82Å; L214-L265 HydrophobicContact CD2-CG 4.23Å; T259-L265 HydrophobicContact CG2-CD1 3.97Å; G261-L265 WeakPolarHBondContact O-CG 3.36Å; G261-L265 PolarHBondContact O-N 3.44Å; A262-L265 PolarHBondContact O-N 3.44Å; L265-G267 VanDerWaalsContact C-N 3.28Å; L265-G267 PolarHBondContact O-N 3.29Å; L265-Q268 WeakPolarHBondContact O-CA 3.44Å; L265-Q268 WeakPolarHBondContact O-CB 3.37Å; L265-Q268 PolarHBondContact O-N 3.47Å; L265-F269 WeakPolarHBondContact O-CD2 3.39Å; L265-F269 PolarHBondContact O-N 3.33Å; L265-W323 HydrophobicContact CD2-CZ3 3.8Å; L265-W323 WeakPolarHBondContact O-CH2 3.39Å |
| 266 | V | 95.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.8 | -39.9 | 174.1 | 172.3 | 0 | 0 | 0 | 0 | 110.7 | L214 L249 L252 A262 Q268 F269 I270 A302 | L214-V266 HydrophobicContact CD1-CG2 3.88Å; L214-V266 HydrophobicContact CD2-CG2 4.16Å; L249-V266 HydrophobicContact CD2-CG1 4.38Å; L252-V266 HydrophobicContact CD1-CB 4.18Å; L252-V266 HydrophobicContact CD1-CG2 3.78Å; A262-V266 WeakPolarHBondContact O-CB 3.09Å; A262-V266 WeakPolarHBondContact O-CG2 3.31Å; A262-V266 PolarHBondContact O-N 3.38Å; V266-Q268 VanDerWaalsContact C-N 3.28Å; V266-Q268 PolarHBondContact O-N 3.33Å; V266-F269 WeakPolarHBondContact O-CB 3.38Å; V266-F269 PolarHBondContact O-N 3.19Å; V266-I270 HydrophobicContact CG1-CD1 3.96Å; V266-I270 HydrophobicContact CG1-CG1 4.41Å; V266-I270 WeakPolarHBondContact O-CG1 3.36Å; V266-I270 PolarHBondContact O-N 3.15Å; V266-A302 HydrophobicContact CG1-CB 4.48Å |
| 267 | G | 94.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.8 | -35.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | P263 L265 A271 A302 A306 | P263-G267 PolarHBondContact O-N 2.76Å; L265-G267 VanDerWaalsContact C-N 3.28Å; L265-G267 PolarHBondContact O-N 3.29Å; G267-A271 PolarHBondContact O-N 2.84Å; G267-A302 WeakPolarHBondContact CA-O 3.42Å; G267-A306 WeakPolarHBondContact O-CA 3.37Å; G267-A306 VanDerWaalsContact O-CB 3.24Å; G267-A306 WeakPolarHBondContact O-CB 3.21Å |
| 268 | Q | 94.1 | Very high | 93.3 | Very high | 27 Ų | 27 | 31.2 Ų | 31.2 | 13% | 0.126 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -68.8 | -42.4 | 173.2 | -72.2 | 165.2 | 24 | 0 | 0 | 111.8 | Q264 L265 V266 A271 R272 L309 W323 | Q264-Q268 VanDerWaalsContact O-CG 3.31Å; Q264-Q268 WeakPolarHBondContact O-CG 3.32Å; Q264-Q268 PolarHBondContact O-N 3.41Å; Q264-Q268 VanDerWaalsContact O-N 3.12Å; L265-Q268 WeakPolarHBondContact O-CA 3.44Å; L265-Q268 WeakPolarHBondContact O-CB 3.37Å; L265-Q268 PolarHBondContact O-N 3.47Å; V266-Q268 VanDerWaalsContact C-N 3.28Å; V266-Q268 PolarHBondContact O-N 3.33Å; Q268-A271 PolarHBondContact O-N 2.67Å; Q268-R272 WeakPolarHBondContact O-CB 3.45Å; Q268-R272 PolarHBondContact O-N 2.83Å; Q268-L309 HydrophobicContact CB-CD1 4.28Å; Q268-L309 HydrophobicContact CG-CD1 3.68Å; Q268-W323 HydrophobicContact CB-CH2 3.54Å; Q268-W323 HydrophobicContact CB-CZ2 3.93Å; Q268-W323 HydrophobicContact CB-CZ3 3.91Å |
| 269 | F | 95.3 | Very high | 93.2 | Very high | 2 Ų | 2 | 25.8 Ų | 25.8 | 1% | 0.009 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -59.6 | -45 | 173.2 | -84.2 | -70 | 0 | 0 | 0 | 111.7 | V210 A213 L214 R221 T224 S225 F245 L265 V266 A271 R272 A273 W323 | V210-F269 HydrophobicContact CG1-CD2 3.73Å; V210-F269 HydrophobicContact CG1-CE2 3.88Å; V210-F269 HydrophobicContact CG1-CG 4.19Å; V210-F269 HydrophobicContact CG1-CZ 4.44Å; V210-F269 HydrophobicContact CG2-CD1 4.16Å; V210-F269 HydrophobicContact CG2-CE1 4.26Å; V210-F269 HydrophobicContact CG2-CG 4.32Å; A213-F269 HydrophobicContact CB-CZ 4.02Å; L214-F269 HydrophobicContact CD2-CD2 4.49Å; L214-F269 HydrophobicContact CD2-CE2 4.24Å; R221-F269 HydrophobicContact CB-CE2 4.4Å; R221-F269 HydrophobicContact CB-CZ 3.89Å; R221-F269 HydrophobicContact CG-CE2 4.22Å; R221-F269 HydrophobicContact CG-CZ 4.04Å; T224-F269 HydrophobicContact CG2-CE1 3.9Å; T224-F269 HydrophobicContact CG2-CZ 4.21Å; S225-F269 WeakPolarHBondContact OG-CE1 3.5Å; F245-F269 HydrophobicContact CE1-CB 4.02Å; F245-F269 HydrophobicContact CZ-CB 4.48Å; L265-F269 WeakPolarHBondContact O-CD2 3.39Å; L265-F269 PolarHBondContact O-N 3.33Å; V266-F269 WeakPolarHBondContact O-CB 3.38Å; V266-F269 PolarHBondContact O-N 3.19Å; F269-A271 PolarHBondContact O-N 2.81Å; F269-R272 PolarHBondContact O-N 3.09Å; F269-A273 WeakPolarHBondContact O-CB 3.37Å; F269-A273 PolarHBondContact O-N 3.24Å; F269-W323 HydrophobicContact CB-CZ2 4.3Å; F269-W323 HydrophobicContact CD1-CH2 4.3Å; F269-W323 AromaticContact CD1-CZ2 3.57Å; F269-W323 HydrophobicContact CD1-CZ2 3.57Å; F269-W323 AromaticContact CD2-CH2 3.39Å; F269-W323 HydrophobicContact CD2-CH2 3.39Å; F269-W323 AromaticContact CD2-CZ2 3.54Å; F269-W323 HydrophobicContact CD2-CZ2 3.54Å; F269-W323 HydrophobicContact CE1-CH2 4.33Å; F269-W323 AromaticContact CE1-CZ2 3.64Å; F269-W323 HydrophobicContact CE1-CZ2 3.64Å; F269-W323 AromaticContact CE2-CH2 3.42Å; F269-W323 HydrophobicContact CE2-CH2 3.42Å; F269-W323 VanDerWaalsContact CE2-CH2 3.42Å; F269-W323 AromaticContact CE2-CZ2 3.61Å; F269-W323 HydrophobicContact CE2-CZ2 3.61Å; F269-W323 HydrophobicContact CE2-CZ3 4.38Å; F269-W323 AromaticContact CG-CH2 3.86Å; F269-W323 HydrophobicContact CG-CH2 3.86Å; F269-W323 AromaticContact CG-CZ2 3.51Å; F269-W323 HydrophobicContact CG-CZ2 3.51Å; F269-W323 AromaticContact CZ-CH2 3.91Å; F269-W323 HydrophobicContact CZ-CH2 3.91Å; F269-W323 AromaticContact CZ-CZ2 3.67Å; F269-W323 HydrophobicContact CZ-CZ2 3.67Å |
| 270 | I | 94.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.4 | -46.2 | 177.2 | -66.8 | 166.1 | 0 | 0 | 0 | 110.7 | F245 L249 V266 R272 A273 V274 L279 Y283 I284 L303 A306 | F245-I270 HydrophobicContact CD1-CG1 3.64Å; F245-I270 HydrophobicContact CE1-CG1 3.91Å; L249-I270 HydrophobicContact CD1-CD1 4.47Å; L249-I270 HydrophobicContact CD2-CD1 4.03Å; L249-I270 HydrophobicContact CG-CD1 4.41Å; V266-I270 HydrophobicContact CG1-CD1 3.96Å; V266-I270 HydrophobicContact CG1-CG1 4.41Å; V266-I270 WeakPolarHBondContact O-CG1 3.36Å; V266-I270 PolarHBondContact O-N 3.15Å; I270-R272 VanDerWaalsContact C-N 3.34Å; I270-R272 PolarHBondContact O-N 3.38Å; I270-A273 PolarHBondContact O-N 3.16Å; I270-V274 WeakPolarHBondContact O-CG2 3.16Å; I270-V274 PolarHBondContact O-N 3.4Å; I270-L279 HydrophobicContact CG2-CD1 4.45Å; I270-Y283 HydrophobicContact CG2-CD1 4.17Å; I270-Y283 HydrophobicContact CG2-CE1 4.36Å; I270-I284 HydrophobicContact CG2-CD1 4.26Å; I270-I284 HydrophobicContact CG2-CG1 4.09Å; I270-L303 HydrophobicContact CD1-CD2 4.35Å; I270-A306 HydrophobicContact CB-CB 3.93Å; I270-A306 HydrophobicContact CG2-CB 3.76Å |
| 271 | A | 92.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.2 | -42.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | G267 Q268 F269 S275 A306 L309 L310 | G267-A271 PolarHBondContact O-N 2.84Å; Q268-A271 PolarHBondContact O-N 2.67Å; F269-A271 PolarHBondContact O-N 2.81Å; A271-S275 WeakPolarHBondContact O-CB 3.45Å; A271-S275 PolarHBondContact O-N 2.89Å; A271-A306 HydrophobicContact CB-CB 4.33Å; A271-L309 HydrophobicContact CB-CB 3.66Å; A271-L309 HydrophobicContact CB-CD1 3.84Å; A271-L309 HydrophobicContact CB-CG 4.4Å; A271-L310 HydrophobicContact CB-CD2 4.4Å; A271-L310 HydrophobicContact CB-CG 4.13Å; A271-L310 WeakPolarHBondContact O-CD2 3.39Å |
| 272 | R | 91.3 | Very high | 92.5 | Very high | 23 Ų | 23 | 30.8 Ų | 30.8 | 9% | 0.087 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.7 | -45.1 | 176.7 | -173.8 | 69.7 | -169.4 | 98.8 | 9 | 110.9 | Q268 F269 I270 V274 S275 D276 | Q268-R272 WeakPolarHBondContact O-CB 3.45Å; Q268-R272 PolarHBondContact O-N 2.83Å; F269-R272 PolarHBondContact O-N 3.09Å; I270-R272 VanDerWaalsContact C-N 3.34Å; I270-R272 PolarHBondContact O-N 3.38Å; R272-V274 PolarHBondContact O-N 3.27Å; R272-S275 WeakPolarHBondContact O-CB 3.37Å; R272-S275 PolarHBondContact O-N 3.01Å; R272-S275 VanDerWaalsContact O-N 3.12Å; R272-D276 IonicContact CZ-OD1 2.67Å; R272-D276 IonicContact CZ-OD2 3.03Å; R272-D276 IonicContact NE-OD2 3.35Å; R272-D276 PolarHBondContact NE-OD2 2.99Å; R272-D276 IonicContact NH1-OD1 3.89Å; R272-D276 PolarHBondContact NH1-OD1 3.32Å; R272-D276 IonicContact NH1-OD2 2.62Å; R272-D276 PolarHBondContact NH1-OD2 3.19Å; R272-D276 VanDerWaalsContact NH2-CG 3.29Å; R272-D276 IonicContact NH2-OD1 3.37Å; R272-D276 PolarHBondContact NH2-OD1 3.3Å; R272-D276 IonicContact NH2-OD2 2.79Å; R272-D276 PolarHBondContact NH2-OD2 3.1Å; R272-D276 PolarHBondContact O-N 3.48Å |
| 273 | A | 93.3 | Very high | 92.2 | Very high | 3 Ų | 3 | 31.4 Ų | 31.4 | 3% | 0.025 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.5 | -40.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | F245 F269 I270 Q277 I278 L279 | F245-A273 HydrophobicContact CE1-CB 4.34Å; F245-A273 HydrophobicContact CE2-CB 4.06Å; F245-A273 HydrophobicContact CZ-CB 3.7Å; F269-A273 WeakPolarHBondContact O-CB 3.37Å; F269-A273 PolarHBondContact O-N 3.24Å; I270-A273 PolarHBondContact O-N 3.16Å; A273-Q277 PolarHBondContact O-N 3.16Å; A273-I278 HydrophobicContact CB-CD1 3.39Å; A273-I278 HydrophobicContact CB-CG1 3.49Å; A273-I278 VanDerWaalsContact CB-CG1 3.49Å; A273-I278 WeakPolarHBondContact O-CG1 3.26Å; A273-I278 PolarHBondContact O-N 3.12Å; A273-L279 HydrophobicContact CB-CB 4.37Å; A273-L279 HydrophobicContact CB-CD1 3.6Å; A273-L279 HydrophobicContact CB-CG 3.84Å; A273-L279 PolarHBondContact O-N 3.15Å |
| 274 | V | 92.6 | Very high | 91.9 | Very high | 7 Ų | 7 | 31.7 Ų | 31.7 | 4% | 0.042 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -68 | -37.9 | 173.1 | 172.7 | 0 | 0 | 0 | 0 | 111.3 | I270 R272 Q277 L279 K281 L310 | I270-V274 WeakPolarHBondContact O-CG2 3.16Å; I270-V274 PolarHBondContact O-N 3.4Å; R272-V274 PolarHBondContact O-N 3.27Å; V274-Q277 PolarHBondContact O-N 3.41Å; V274-Q277 PolarHBondContact O-NE2 3.24Å; V274-L279 HydrophobicContact CG2-CB 3.88Å; V274-L279 HydrophobicContact CG2-CD1 4.5Å; V274-K281 HydrophobicContact CG1-CG 4.28Å; V274-L310 HydrophobicContact CB-CD1 3.99Å; V274-L310 HydrophobicContact CB-CD2 4.09Å; V274-L310 HydrophobicContact CG1-CD1 3.84Å; V274-L310 HydrophobicContact CG1-CD2 3.97Å; V274-L310 HydrophobicContact CG2-CD1 4.3Å |
| 275 | S | 89.6 | Confident | 91.5 | Very high | 44 Ų | 44 | 31.6 Ų | 31.6 | 31% | 0.308 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -63.6 | -42.6 | 176.6 | -172 | 0 | 0 | 0 | 0 | 112.2 | A271 R272 Q277 I319 | A271-S275 WeakPolarHBondContact O-CB 3.45Å; A271-S275 PolarHBondContact O-N 2.89Å; R272-S275 WeakPolarHBondContact O-CB 3.37Å; R272-S275 PolarHBondContact O-N 3.01Å; R272-S275 VanDerWaalsContact O-N 3.12Å; S275-Q277 PolarHBondContact O-N 2.87Å; S275-Q277 PolarHBondContact O-NE2 3.49Å; S275-I319 WeakPolarHBondContact OG-CD1 3.4Å |
| 276 | D | 90.4 | Very high | 90.8 | Very high | 42 Ų | 42 | 32.1 Ų | 32.1 | 23% | 0.225 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | 0.7 | 177.7 | -72.5 | -36.4 | 0 | 0 | 0 | 114.2 | V229 R272 I278 | V229-D276 HydrophobicContact CG2-CB 3.52Å; V229-D276 VanDerWaalsContact CG2-CG 3.4Å; V229-D276 WeakPolarHBondContact CG2-OD2 3.5Å; R272-D276 IonicContact CZ-OD1 2.67Å; R272-D276 IonicContact CZ-OD2 3.03Å; R272-D276 IonicContact NE-OD2 3.35Å; R272-D276 PolarHBondContact NE-OD2 2.99Å; R272-D276 IonicContact NH1-OD1 3.89Å; R272-D276 PolarHBondContact NH1-OD1 3.32Å; R272-D276 IonicContact NH1-OD2 2.62Å; R272-D276 PolarHBondContact NH1-OD2 3.19Å; R272-D276 VanDerWaalsContact NH2-CG 3.29Å; R272-D276 IonicContact NH2-OD1 3.37Å; R272-D276 PolarHBondContact NH2-OD1 3.3Å; R272-D276 IonicContact NH2-OD2 2.79Å; R272-D276 PolarHBondContact NH2-OD2 3.1Å; R272-D276 PolarHBondContact O-N 3.48Å; D276-I278 HydrophobicContact CB-CG1 4.48Å; D276-I278 HydrophobicContact CB-CG2 4.42Å; D276-I278 PolarHBondContact O-N 3.3Å |
| 277 | Q | 90.4 | Very high | 90.1 | Very high | 102 Ų | 102 | 34.6 Ų | 34.6 | 48% | 0.477 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.8 | 21 | -176.3 | -48.6 | -55.7 | -46 | 0 | 0 | 114.2 | H238 A273 V274 S275 | H238-Q277 PolarHBondContact CE1-O 2.77Å; A273-Q277 PolarHBondContact O-N 3.16Å; V274-Q277 PolarHBondContact O-N 3.41Å; V274-Q277 PolarHBondContact O-NE2 3.24Å; S275-Q277 PolarHBondContact O-N 2.87Å; S275-Q277 PolarHBondContact O-NE2 3.49Å |
| 278 | I | 93.8 | Very high | 88.9 | Confident | 7 Ų | 7 | 41.6 Ų | 41.6 | 4% | 0.036 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -78 | -30.7 | 170.3 | 58.3 | 163.9 | 0 | 0 | 0 | 111.3 | L228 V229 C232 H238 M241 F245 A273 D276 | L228-I278 HydrophobicContact CB-CD1 3.91Å; L228-I278 HydrophobicContact CD1-CD1 4.33Å; V229-I278 HydrophobicContact CG2-CG2 4.25Å; C232-I278 HydrophobicContact CB-CB 4.42Å; C232-I278 HydrophobicContact CB-CG2 3.69Å; H238-I278 PolarHBondContact ND1-O 2.93Å; H238-I278 VanDerWaalsContact ND1-O 3.07Å; M241-I278 HydrophobicContact CE-CB 4.12Å; M241-I278 HydrophobicContact CE-CD1 3.5Å; M241-I278 VanDerWaalsContact CE-CD1 3.5Å; M241-I278 HydrophobicContact CE-CG1 4.33Å; F245-I278 HydrophobicContact CE2-CD1 4.37Å; A273-I278 HydrophobicContact CB-CD1 3.39Å; A273-I278 HydrophobicContact CB-CG1 3.49Å; A273-I278 VanDerWaalsContact CB-CG1 3.49Å; A273-I278 WeakPolarHBondContact O-CG1 3.26Å; A273-I278 PolarHBondContact O-N 3.12Å; D276-I278 HydrophobicContact CB-CG1 4.48Å; D276-I278 HydrophobicContact CB-CG2 4.42Å; D276-I278 PolarHBondContact O-N 3.3Å |
| 279 | L | 93.5 | Very high | 87.5 | Confident | 3 Ų | 3 | 43.9 Ų | 43.9 | 2% | 0.016 | 25% | 0.25 | C | C | . | . | S | Bend | trans | -110.5 | 149.9 | 170.7 | -68.3 | 178.3 | 0 | 0 | 0 | 111.4 | M241 E242 F245 I270 A273 V274 Y283 | M241-L279 HydrophobicContact CB-CD2 4.48Å; E242-L279 HydrophobicContact CB-CD2 4.32Å; E242-L279 HydrophobicContact CG-CD2 3.69Å; F245-L279 HydrophobicContact CB-CD1 4.27Å; F245-L279 HydrophobicContact CB-CD2 4.41Å; F245-L279 HydrophobicContact CD1-CD1 4.07Å; F245-L279 HydrophobicContact CD2-CD1 3.75Å; F245-L279 HydrophobicContact CD2-CD2 3.82Å; F245-L279 HydrophobicContact CD2-CG 4.05Å; F245-L279 HydrophobicContact CE1-CD1 4.31Å; F245-L279 HydrophobicContact CE2-CD1 4.02Å; F245-L279 HydrophobicContact CE2-CD2 4.45Å; F245-L279 HydrophobicContact CE2-CG 4.27Å; F245-L279 HydrophobicContact CG-CD1 3.77Å; F245-L279 HydrophobicContact CG-CD2 4.31Å; F245-L279 HydrophobicContact CZ-CD1 4.3Å; I270-L279 HydrophobicContact CG2-CD1 4.45Å; A273-L279 HydrophobicContact CB-CB 4.37Å; A273-L279 HydrophobicContact CB-CD1 3.6Å; A273-L279 HydrophobicContact CB-CG 3.84Å; A273-L279 PolarHBondContact O-N 3.15Å; V274-L279 HydrophobicContact CG2-CB 3.88Å; V274-L279 HydrophobicContact CG2-CD1 4.5Å; L279-Y283 HydrophobicContact CB-CG 4.49Å; L279-Y283 HydrophobicContact CD1-CD1 4Å; L279-Y283 HydrophobicContact CD1-CE1 4.12Å; L279-Y283 HydrophobicContact CD1-CG 4.3Å; L279-Y283 HydrophobicContact CD2-CD2 4.21Å; L279-Y283 HydrophobicContact CD2-CE2 4.29Å |
| 280 | S | 90.3 | Very high | 86.1 | Confident | 39 Ų | 39 | 51 Ų | 51 | 27% | 0.273 | 28% | 0.28 | S | S | . | . | trans | -65.5 | 145.9 | 176.1 | 59.1 | 0 | 0 | 0 | 0 | 112.4 | E242 S282 Y283 | E242-S280 WeakPolarHBondContact OE1-CB 3.34Å; E242-S280 PolarHBondContact OE1-OG 3.05Å; S280-S282 PolarHBondContact O-N 3.37Å; S280-Y283 WeakPolarHBondContact O-CB 3.13Å; S280-Y283 PolarHBondContact O-N 3.1Å; S280-Y283 PolarHBondContact OG-N 3.02Å | ||
| 281 | K | 85.4 | Confident | 84.5 | Confident | 154 Ų | 154 | 51.8 Ų | 51.8 | 67% | 0.67 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -28 | 177.3 | -66.5 | -179.1 | -178.6 | 177.6 | 0 | 113.1 | V274 Y283 | V274-K281 HydrophobicContact CG1-CG 4.28Å; K281-Y283 VanDerWaalsContact C-N 3.31Å |
| 282 | S | 87.3 | Confident | 82.6 | Confident | 72 Ų | 72 | 58.9 Ų | 58.9 | 50% | 0.503 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -0.6 | 175.6 | 51.1 | 0 | 0 | 0 | 0 | 113.7 | S280 I284 D285 G286 | S280-S282 PolarHBondContact O-N 3.37Å; S282-I284 VanDerWaalsContact C-N 3.33Å; S282-I284 PolarHBondContact O-N 2.89Å; S282-D285 PolarHBondContact O-N 3.35Å; S282-D285 VanDerWaalsContact O-N 3.07Å; S282-G286 PolarHBondContact O-N 3.44Å |
| 283 | Y | 89 | Confident | 81 | Confident | 13 Ų | 13 | 61.6 Ų | 61.6 | 5% | 0.051 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | -50.6 | -177.5 | -179 | -99.8 | 0 | 0 | 0 | 111.4 | E242 F245 D246 I270 L279 S280 K281 D285 G286 Y287 | E242-Y283 HydrophobicContact CB-CE2 4.35Å; E242-Y283 HydrophobicContact CG-CD2 4.17Å; E242-Y283 HydrophobicContact CG-CE2 4.35Å; F245-Y283 VanDerWaalsContact C-OH 3.27Å; F245-Y283 HydrophobicContact CB-CE1 4.33Å; F245-Y283 VanDerWaalsContact CB-OH 3.31Å; F245-Y283 WeakPolarHBondContact CB-OH 3.46Å; D246-Y283 PolarHBondContact N-OH 3.31Å; D246-Y283 WeakPolarHBondContact OD1-CE2 3.46Å; D246-Y283 PolarHBondContact OD1-OH 3.49Å; I270-Y283 HydrophobicContact CG2-CD1 4.17Å; I270-Y283 HydrophobicContact CG2-CE1 4.36Å; L279-Y283 HydrophobicContact CB-CG 4.49Å; L279-Y283 HydrophobicContact CD1-CD1 4Å; L279-Y283 HydrophobicContact CD1-CE1 4.12Å; L279-Y283 HydrophobicContact CD1-CG 4.3Å; L279-Y283 HydrophobicContact CD2-CD2 4.21Å; L279-Y283 HydrophobicContact CD2-CE2 4.29Å; S280-Y283 WeakPolarHBondContact O-CB 3.13Å; S280-Y283 PolarHBondContact O-N 3.1Å; S280-Y283 PolarHBondContact OG-N 3.02Å; K281-Y283 VanDerWaalsContact C-N 3.31Å; Y283-D285 VanDerWaalsContact C-N 3.33Å; Y283-D285 PolarHBondContact O-N 3.4Å; Y283-G286 PolarHBondContact O-N 2.88Å; Y283-Y287 HydrophobicContact CE1-CE2 4.04Å; Y283-Y287 AromaticContact CE2-CE2 3.98Å; Y283-Y287 HydrophobicContact CE2-CE2 3.98Å; Y283-Y287 AromaticContact CZ-CE2 3.65Å; Y283-Y287 WeakPolarHBondContact O-CD2 3.06Å |
| 284 | I | 87.7 | Confident | 79.5 | Confident | 15 Ų | 15 | 70.4 Ų | 70.4 | 8% | 0.077 | 39% | 0.386 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -38.4 | 179.4 | -58.2 | 174.5 | 0 | 0 | 0 | 111.6 | I270 S282 G286 Y287 L303 A306 A307 L310 | I270-I284 HydrophobicContact CG2-CD1 4.26Å; I270-I284 HydrophobicContact CG2-CG1 4.09Å; S282-I284 VanDerWaalsContact C-N 3.33Å; S282-I284 PolarHBondContact O-N 2.89Å; I284-G286 VanDerWaalsContact C-N 3.27Å; I284-G286 PolarHBondContact O-N 3.32Å; I284-Y287 PolarHBondContact O-N 2.93Å; I284-L303 HydrophobicContact CG1-CD2 4.49Å; I284-L303 HydrophobicContact CG2-CB 4.44Å; I284-L303 HydrophobicContact CG2-CD2 4.32Å; I284-A306 HydrophobicContact CD1-CB 3.73Å; I284-A307 HydrophobicContact CG2-CB 4.46Å; I284-L310 HydrophobicContact CD1-CD1 3.46Å; I284-L310 VanDerWaalsContact CD1-CD1 3.46Å |
| 285 | D | 85 | Confident | 78.3 | Confident | 86 Ų | 86 | 74 Ų | 74 | 46% | 0.46 | 40% | 0.402 | S | S | . | . | G | 310 helix | trans | -66.8 | -30.9 | 178.9 | -68.3 | -34 | 0 | 0 | 0 | 112 | S282 Y283 Y287 K288 | S282-D285 PolarHBondContact O-N 3.35Å; S282-D285 VanDerWaalsContact O-N 3.07Å; Y283-D285 VanDerWaalsContact C-N 3.33Å; Y283-D285 PolarHBondContact O-N 3.4Å; D285-Y287 PolarHBondContact O-N 2.87Å; D285-Y287 VanDerWaalsContact O-N 3.14Å; D285-K288 WeakPolarHBondContact O-CB 3.4Å; D285-K288 PolarHBondContact O-N 3.28Å; D285-K288 VanDerWaalsContact O-N 3.09Å; D285-K288 WeakPolarHBondContact OD1-CE 3.38Å; D285-K288 IonicContact OD1-NZ 2.66Å; D285-K288 PolarHBondContact OD1-NZ 3.09Å |
| 286 | G | 81.2 | Confident | 77.6 | Confident | 35 Ų | 35 | 72.4 Ų | 72.4 | 36% | 0.361 | 39% | 0.391 | S | S | . | . | G | 310 helix | trans | -60.1 | -21.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | S282 Y283 I284 K290 | S282-G286 PolarHBondContact O-N 3.44Å; Y283-G286 PolarHBondContact O-N 2.88Å; I284-G286 VanDerWaalsContact C-N 3.27Å; I284-G286 PolarHBondContact O-N 3.32Å; G286-K290 WeakPolarHBondContact O-CD 3.47Å; G286-K290 WeakPolarHBondContact O-CE 3.41Å; G286-K290 PolarHBondContact O-NZ 2.89Å |
| 287 | Y | 80.1 | Confident | 77.2 | Confident | 52 Ų | 52 | 80.3 Ų | 80.3 | 20% | 0.204 | 42% | 0.418 | C | S | . | . | G | 310 helix | trans | -96.7 | -11 | 178.2 | -76.7 | -83.7 | 0 | 0 | 0 | 114.4 | D246 L249 Y283 I284 D285 G289 K290 V291 L303 | D246-Y287 WeakPolarHBondContact CB-OH 3.48Å; D246-Y287 PolarHBondContact OD1-OH 3.2Å; D246-Y287 PolarHBondContact OD2-OH 3.37Å; L249-Y287 HydrophobicContact CD1-CE1 4.22Å; L249-Y287 HydrophobicContact CD1-CE2 4.21Å; Y283-Y287 HydrophobicContact CE1-CE2 4.04Å; Y283-Y287 AromaticContact CE2-CE2 3.98Å; Y283-Y287 HydrophobicContact CE2-CE2 3.98Å; Y283-Y287 AromaticContact CZ-CE2 3.65Å; Y283-Y287 WeakPolarHBondContact O-CD2 3.06Å; I284-Y287 PolarHBondContact O-N 2.93Å; D285-Y287 PolarHBondContact O-N 2.87Å; D285-Y287 VanDerWaalsContact O-N 3.14Å; Y287-G289 PolarHBondContact O-N 3.44Å; Y287-K290 PolarHBondContact O-N 3.07Å; Y287-V291 VanDerWaalsContact O-CG2 3.26Å; Y287-V291 WeakPolarHBondContact O-CG2 3.22Å; Y287-L303 HydrophobicContact CD1-CD1 4.49Å; Y287-L303 HydrophobicContact CG-CD1 4.03Å |
| 288 | K | 68.9 | Low | 76.9 | Confident | 147 Ų | 147 | 77.4 Ų | 77.4 | 64% | 0.639 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | 124.1 | 177.7 | -74.3 | 178.2 | 175.9 | 165.7 | 0 | 110.1 | D285 K290 | D285-K288 WeakPolarHBondContact O-CB 3.4Å; D285-K288 PolarHBondContact O-N 3.28Å; D285-K288 VanDerWaalsContact O-N 3.09Å; D285-K288 WeakPolarHBondContact OD1-CE 3.38Å; D285-K288 IonicContact OD1-NZ 2.66Å; D285-K288 PolarHBondContact OD1-NZ 3.09Å; K288-K290 VanDerWaalsContact C-N 3.3Å; K288-K290 PolarHBondContact O-N 2.94Å |
| 289 | G | 65.4 | Low | 76.5 | Confident | 76 Ų | 76 | 77.7 Ų | 77.7 | 78% | 0.784 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.3 | 7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | Y287 | Y287-G289 PolarHBondContact O-N 3.44Š|
| 290 | K | 65.9 | Low | 76.2 | Confident | 150 Ų | 150 | 83.5 Ų | 83.5 | 65% | 0.652 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.3 | -2.6 | 176.8 | -63.8 | -174 | -170.4 | 156.9 | 0 | 114.3 | G286 Y287 K288 D292 | G286-K290 WeakPolarHBondContact O-CD 3.47Å; G286-K290 WeakPolarHBondContact O-CE 3.41Å; G286-K290 PolarHBondContact O-NZ 2.89Å; Y287-K290 PolarHBondContact O-N 3.07Å; K288-K290 VanDerWaalsContact C-N 3.3Å; K288-K290 PolarHBondContact O-N 2.94Å; K290-D292 VanDerWaalsContact C-N 3.31Å; K290-D292 PolarHBondContact O-N 3.27Å |
| 291 | V | 60.4 | Low | 76.2 | Confident | 17 Ų | 17 | 83.4 Ų | 83.4 | 10% | 0.103 | 43% | 0.431 | C | S | . | . | trans | -87.5 | 75.2 | -176.4 | -148 | 0 | 0 | 0 | 0 | 109.2 | Y287 A296 C299 | Y287-V291 VanDerWaalsContact O-CG2 3.26Å; Y287-V291 WeakPolarHBondContact O-CG2 3.22Å; V291-A296 HydrophobicContact CB-CB 3.99Å; V291-A296 VanDerWaalsContact CG1-CA 3.49Å; V291-A296 HydrophobicContact CG1-CB 3.52Å; V291-A296 WeakPolarHBondContact O-CB 3.23Å; V291-C299 HydrophobicContact CG1-CB 4.07Å | ||
| 292 | D | 54.3 | Low | 76.5 | Confident | 150 Ų | 150 | 76 Ų | 76 | 80% | 0.802 | 40% | 0.399 | S | S | * | . | trans | -105.7 | 37.7 | 178.8 | -67.2 | -22.4 | 0 | 0 | 0 | 111.8 | K290 | K290-D292 VanDerWaalsContact C-N 3.31Å; K290-D292 PolarHBondContact O-N 3.27Å | ||
| 293 | C | 57.4 | Low | 76.7 | Confident | 79 Ų | 79 | 73.1 Ų | 73.1 | 53% | 0.534 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -97.9 | 155.2 | 178 | -44 | 0 | 0 | 0 | 0 | 110.8 | H295 A296 | C293-H295 PolarHBondContact O-N 2.94Å; C293-H295 VanDerWaalsContact O-N 3.09Å; C293-A296 HydrophobicContact CB-CB 4.43Å; C293-A296 WeakPolarHBondContact O-CB 3.46Å; C293-A296 PolarHBondContact O-N 3.01Å |
| 294 | E | 60.5 | Low | 76.8 | Confident | 189 Ų | 189 | 77 Ų | 77 | 88% | 0.883 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | -30.7 | 167.6 | -172.4 | 172.1 | -173.5 | 0 | 0 | 111.8 | ||
| 295 | H | 68.8 | Low | 77 | Confident | 82 Ų | 82 | 80.1 Ų | 80.1 | 38% | 0.38 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | 9 | 177.1 | -56.9 | 95.9 | 0 | 0 | 0 | 114.6 | P253 C293 R297 I298 C299 | P253-H295 HydrophobicContact CB-CB 4.35Å; P253-H295 VanDerWaalsContact CB-CD2 3.44Å; P253-H295 WeakPolarHBondContact CB-CD2 3.15Å; P253-H295 HydrophobicContact CG-CB 3.48Å; P253-H295 VanDerWaalsContact CG-CB 3.48Å; C293-H295 PolarHBondContact O-N 2.94Å; C293-H295 VanDerWaalsContact O-N 3.09Å; H295-R297 PolarHBondContact O-N 3.4Å; H295-I298 WeakPolarHBondContact O-CB 3.41Å; H295-I298 PolarHBondContact O-N 2.52Å; H295-C299 PolarHBondContact O-N 3.35Å |
| 296 | A | 74.6 | Confident | 77.3 | Confident | 10 Ų | 10 | 76 Ų | 76 | 8% | 0.083 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -56.1 | -30.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | V291 C293 I298 R300 | V291-A296 HydrophobicContact CB-CB 3.99Å; V291-A296 VanDerWaalsContact CG1-CA 3.49Å; V291-A296 HydrophobicContact CG1-CB 3.52Å; V291-A296 WeakPolarHBondContact O-CB 3.23Å; C293-A296 HydrophobicContact CB-CB 4.43Å; C293-A296 WeakPolarHBondContact O-CB 3.46Å; C293-A296 PolarHBondContact O-N 3.01Å; A296-I298 VanDerWaalsContact C-N 3.33Å; A296-I298 PolarHBondContact O-N 3.38Å; A296-R300 WeakPolarHBondContact O-CB 3.44Å; A296-R300 PolarHBondContact O-N 2.89Å |
| 297 | R | 81.1 | Confident | 77.7 | Confident | 208 Ų | 208 | 75.6 Ų | 75.6 | 79% | 0.785 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -64 | -37.9 | 177.3 | -166.6 | -180 | 73.4 | 115.5 | 1.5 | 112.2 | H295 A301 | H295-R297 PolarHBondContact O-N 3.4Å; R297-A301 WeakPolarHBondContact O-CB 3.38Å; R297-A301 PolarHBondContact O-N 3.18Å |
| 298 | I | 84 | Confident | 78.2 | Confident | 41 Ų | 41 | 76.7 Ų | 76.7 | 21% | 0.21 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -72.2 | -49.8 | -178.2 | -56.4 | 178.2 | 0 | 0 | 0 | 109.5 | L252 V256 P263 H295 A296 R300 A301 A302 | L252-I298 HydrophobicContact CD2-CG2 3.74Å; L252-I298 HydrophobicContact CG-CG2 3.76Å; V256-I298 HydrophobicContact CG2-CG2 3.96Å; P263-I298 HydrophobicContact CB-CG2 4.17Å; P263-I298 HydrophobicContact CG-CG2 3.49Å; P263-I298 VanDerWaalsContact CG-CG2 3.49Å; H295-I298 WeakPolarHBondContact O-CB 3.41Å; H295-I298 PolarHBondContact O-N 2.52Å; A296-I298 VanDerWaalsContact C-N 3.33Å; A296-I298 PolarHBondContact O-N 3.38Å; I298-R300 VanDerWaalsContact C-N 3.3Å; I298-R300 PolarHBondContact O-N 3.42Å; I298-A301 WeakPolarHBondContact O-CB 3.33Å; I298-A301 PolarHBondContact O-N 3.2Å; I298-A301 VanDerWaalsContact O-N 3.16Å; I298-A302 PolarHBondContact O-N 3.31Å |
| 299 | C | 86.6 | Confident | 79.1 | Confident | 14 Ų | 14 | 70.3 Ų | 70.3 | 10% | 0.095 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -61.2 | -40.9 | 176.3 | -48.4 | 0 | 0 | 0 | 0 | 111.3 | L249 V291 H295 A301 A302 L303 | L249-C299 HydrophobicContact CD2-CB 4.49Å; L249-C299 PolarHBondContact O-SG 3.43Å; V291-C299 HydrophobicContact CG1-CB 4.07Å; H295-C299 PolarHBondContact O-N 3.35Å; C299-A301 PolarHBondContact O-N 2.89Å; C299-A302 WeakPolarHBondContact O-CB 3.46Å; C299-A302 PolarHBondContact O-N 3.36Å; C299-L303 WeakPolarHBondContact O-CG 3.39Å; C299-L303 PolarHBondContact O-N 3.25Å |
| 300 | R | 86.8 | Confident | 80.2 | Confident | 124 Ų | 124 | 68.2 Ų | 68.2 | 47% | 0.468 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62.3 | -41.2 | 175.1 | -173 | 179 | -56.8 | 162 | 4.9 | 111.9 | A296 I298 A302 L303 D304 | A296-R300 WeakPolarHBondContact O-CB 3.44Å; A296-R300 PolarHBondContact O-N 2.89Å; I298-R300 VanDerWaalsContact C-N 3.3Å; I298-R300 PolarHBondContact O-N 3.42Å; R300-A302 VanDerWaalsContact C-N 3.28Å; R300-A302 PolarHBondContact O-N 3.18Å; R300-L303 PolarHBondContact O-N 3.25Å; R300-D304 WeakPolarHBondContact CG-OD2 3.31Å; R300-D304 VanDerWaalsContact O-CB 3.29Å; R300-D304 WeakPolarHBondContact O-CB 3.39Å; R300-D304 PolarHBondContact O-N 2.8Å |
| 301 | A | 89.5 | Confident | 81.2 | Confident | 37 Ų | 37 | 68.9 Ų | 68.9 | 31% | 0.306 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -60.1 | -38.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | P263 R297 I298 C299 R305 | P263-A301 HydrophobicContact CB-CB 4.4Å; R297-A301 WeakPolarHBondContact O-CB 3.38Å; R297-A301 PolarHBondContact O-N 3.18Å; I298-A301 WeakPolarHBondContact O-CB 3.33Å; I298-A301 PolarHBondContact O-N 3.2Å; I298-A301 VanDerWaalsContact O-N 3.16Å; C299-A301 PolarHBondContact O-N 2.89Å; A301-R305 VanDerWaalsContact O-CB 3.3Å; A301-R305 WeakPolarHBondContact O-CB 3.41Å; A301-R305 PolarHBondContact O-N 3.05Å |
| 302 | A | 92.1 | Very high | 82.2 | Confident | 0 Ų | 0 | 73.5 Ų | 73.5 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -66 | -46.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L249 L252 P263 V266 G267 I298 C299 R300 R305 A306 | L249-A302 HydrophobicContact CD2-CB 4.2Å; L252-A302 HydrophobicContact CD2-CB 3.93Å; P263-A302 HydrophobicContact CB-CB 4.44Å; P263-A302 VanDerWaalsContact O-CA 3.23Å; P263-A302 WeakPolarHBondContact O-CA 3.43Å; P263-A302 WeakPolarHBondContact O-CB 3.38Å; V266-A302 HydrophobicContact CG1-CB 4.48Å; G267-A302 WeakPolarHBondContact CA-O 3.42Å; I298-A302 PolarHBondContact O-N 3.31Å; C299-A302 WeakPolarHBondContact O-CB 3.46Å; C299-A302 PolarHBondContact O-N 3.36Å; R300-A302 VanDerWaalsContact C-N 3.28Å; R300-A302 PolarHBondContact O-N 3.18Å; A302-R305 WeakPolarHBondContact O-CB 3.46Å; A302-R305 PolarHBondContact O-N 3.34Å; A302-A306 PolarHBondContact O-N 2.85Å |
| 303 | L | 91.7 | Very high | 83.1 | Confident | 11 Ų | 11 | 67.7 Ų | 67.7 | 6% | 0.058 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -65.4 | -41.5 | 178.7 | -68.9 | 169.8 | 0 | 0 | 0 | 112.5 | L249 I270 I284 Y287 C299 R300 R305 A306 A307 | L249-L303 HydrophobicContact CD1-CD2 4.16Å; I270-L303 HydrophobicContact CD1-CD2 4.35Å; I284-L303 HydrophobicContact CG1-CD2 4.49Å; I284-L303 HydrophobicContact CG2-CB 4.44Å; I284-L303 HydrophobicContact CG2-CD2 4.32Å; Y287-L303 HydrophobicContact CD1-CD1 4.49Å; Y287-L303 HydrophobicContact CG-CD1 4.03Å; C299-L303 WeakPolarHBondContact O-CG 3.39Å; C299-L303 PolarHBondContact O-N 3.25Å; R300-L303 PolarHBondContact O-N 3.25Å; L303-R305 VanDerWaalsContact C-N 3.33Å; L303-R305 PolarHBondContact O-N 3.25Å; L303-A306 WeakPolarHBondContact O-CB 3.4Å; L303-A306 PolarHBondContact O-N 3.3Å; L303-A307 WeakPolarHBondContact O-CB 3.4Å; L303-A307 PolarHBondContact O-N 2.87Å |
| 304 | D | 90.6 | Very high | 83.4 | Confident | 93 Ų | 93 | 71.8 Ų | 71.8 | 50% | 0.497 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62.8 | -42.6 | 175.7 | -72.3 | -19 | 0 | 0 | 0 | 110.4 | R300 A306 A307 V308 | R300-D304 WeakPolarHBondContact CG-OD2 3.31Å; R300-D304 VanDerWaalsContact O-CB 3.29Å; R300-D304 WeakPolarHBondContact O-CB 3.39Å; R300-D304 PolarHBondContact O-N 2.8Å; D304-A306 VanDerWaalsContact C-N 3.33Å; D304-A306 PolarHBondContact O-N 3Å; D304-A307 PolarHBondContact O-N 2.93Å; D304-V308 WeakPolarHBondContact O-CG2 3.31Å; D304-V308 PolarHBondContact O-N 3.44Å |
| 305 | R | 91.3 | Very high | 83.2 | Confident | 81 Ų | 81 | 66.1 Ų | 66.1 | 31% | 0.306 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60.3 | -44.5 | 175.2 | 179.6 | 60 | -178.5 | 130.8 | 0.1 | 111.4 | A301 A302 L303 V308 L309 | A301-R305 VanDerWaalsContact O-CB 3.3Å; A301-R305 WeakPolarHBondContact O-CB 3.41Å; A301-R305 PolarHBondContact O-N 3.05Å; A302-R305 WeakPolarHBondContact O-CB 3.46Å; A302-R305 PolarHBondContact O-N 3.34Å; L303-R305 VanDerWaalsContact C-N 3.33Å; L303-R305 PolarHBondContact O-N 3.25Å; R305-V308 PolarHBondContact O-N 3.15Å; R305-L309 HydrophobicContact CG-CD1 4.35Å; R305-L309 WeakPolarHBondContact O-CG 3.38Å; R305-L309 PolarHBondContact O-N 2.85Å; R305-L309 VanDerWaalsContact O-N 3.13Å |
| 306 | A | 91.5 | Very high | 82.4 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62.6 | -44.6 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | G267 I270 A271 I284 A302 L303 D304 V308 L309 L310 | G267-A306 WeakPolarHBondContact O-CA 3.37Å; G267-A306 VanDerWaalsContact O-CB 3.24Å; G267-A306 WeakPolarHBondContact O-CB 3.21Å; I270-A306 HydrophobicContact CB-CB 3.93Å; I270-A306 HydrophobicContact CG2-CB 3.76Å; A271-A306 HydrophobicContact CB-CB 4.33Å; I284-A306 HydrophobicContact CD1-CB 3.73Å; A302-A306 PolarHBondContact O-N 2.85Å; L303-A306 WeakPolarHBondContact O-CB 3.4Å; L303-A306 PolarHBondContact O-N 3.3Å; D304-A306 VanDerWaalsContact C-N 3.33Å; D304-A306 PolarHBondContact O-N 3Å; A306-V308 PolarHBondContact O-N 3.49Å; A306-L309 PolarHBondContact O-N 2.96Å; A306-L310 WeakPolarHBondContact O-CG 3.29Å; A306-L310 PolarHBondContact O-N 3.16Å |
| 307 | A | 91.1 | Very high | 81.4 | Confident | 27 Ų | 27 | 71.3 Ų | 71.3 | 22% | 0.223 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -62.5 | -41.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | I284 L303 D304 K311 | I284-A307 HydrophobicContact CG2-CB 4.46Å; L303-A307 WeakPolarHBondContact O-CB 3.4Å; L303-A307 PolarHBondContact O-N 2.87Å; D304-A307 PolarHBondContact O-N 2.93Å; A307-K311 WeakPolarHBondContact O-CB 3.42Å; A307-K311 VanDerWaalsContact O-CG 3.3Å; A307-K311 WeakPolarHBondContact O-CG 3.35Å; A307-K311 PolarHBondContact O-N 2.7Å |
| 308 | V | 90 | Very high | 80.2 | Confident | 75 Ų | 75 | 71.2 Ų | 71.2 | 46% | 0.455 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -62.7 | -46 | 175.4 | 170.5 | 0 | 0 | 0 | 0 | 110.8 | D304 R305 A306 L310 K311 M312 | D304-V308 WeakPolarHBondContact O-CG2 3.31Å; D304-V308 PolarHBondContact O-N 3.44Å; R305-V308 PolarHBondContact O-N 3.15Å; A306-V308 PolarHBondContact O-N 3.49Å; V308-L310 PolarHBondContact O-N 3.44Å; V308-K311 PolarHBondContact O-N 3.42Å; V308-M312 HydrophobicContact CG1-CG 4.48Å; V308-M312 HydrophobicContact CG1-SD 3.9Å; V308-M312 VanDerWaalsContact O-CG 3.31Å; V308-M312 WeakPolarHBondContact O-CG 3.26Å; V308-M312 PolarHBondContact O-N 3Å |
| 309 | L | 88.5 | Confident | 79.1 | Confident | 13 Ų | 13 | 69.4 Ų | 69.4 | 7% | 0.068 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -60.6 | -46.2 | 179.2 | -76.3 | 172.1 | 0 | 0 | 0 | 112.6 | Q268 A271 R305 A306 K311 M312 S313 | Q268-L309 HydrophobicContact CB-CD1 4.28Å; Q268-L309 HydrophobicContact CG-CD1 3.68Å; A271-L309 HydrophobicContact CB-CB 3.66Å; A271-L309 HydrophobicContact CB-CD1 3.84Å; A271-L309 HydrophobicContact CB-CG 4.4Å; R305-L309 HydrophobicContact CG-CD1 4.35Å; R305-L309 WeakPolarHBondContact O-CG 3.38Å; R305-L309 PolarHBondContact O-N 2.85Å; R305-L309 VanDerWaalsContact O-N 3.13Å; A306-L309 PolarHBondContact O-N 2.96Å; L309-K311 VanDerWaalsContact C-N 3.32Å; L309-K311 PolarHBondContact O-N 2.79Å; L309-M312 PolarHBondContact O-N 3.45Å; L309-S313 PolarHBondContact O-N 3.1Å |
| 310 | L | 88.1 | Confident | 77.9 | Confident | 32 Ų | 32 | 71.8 Ų | 71.8 | 17% | 0.168 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -65.9 | -34.9 | 178.7 | -71 | 170.8 | 0 | 0 | 0 | 112.2 | A271 V274 I284 A306 V308 S313 M314 I319 | A271-L310 HydrophobicContact CB-CD2 4.4Å; A271-L310 HydrophobicContact CB-CG 4.13Å; A271-L310 WeakPolarHBondContact O-CD2 3.39Å; V274-L310 HydrophobicContact CB-CD1 3.99Å; V274-L310 HydrophobicContact CB-CD2 4.09Å; V274-L310 HydrophobicContact CG1-CD1 3.84Å; V274-L310 HydrophobicContact CG1-CD2 3.97Å; V274-L310 HydrophobicContact CG2-CD1 4.3Å; I284-L310 HydrophobicContact CD1-CD1 3.46Å; I284-L310 VanDerWaalsContact CD1-CD1 3.46Å; A306-L310 WeakPolarHBondContact O-CG 3.29Å; A306-L310 PolarHBondContact O-N 3.16Å; V308-L310 PolarHBondContact O-N 3.44Å; L310-S313 PolarHBondContact O-OG 2.98Å; L310-M314 WeakPolarHBondContact O-CG 3.42Å; L310-M314 PolarHBondContact O-N 3.11Å; L310-I319 HydrophobicContact CD2-CD1 4.28Å |
| 311 | K | 86.5 | Confident | 76.9 | Confident | 164 Ų | 164 | 70.1 Ų | 70.1 | 71% | 0.713 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -66 | -39.7 | 173.2 | -75.3 | 176.8 | -179.1 | -176.7 | 0 | 112 | A307 V308 L309 | A307-K311 WeakPolarHBondContact O-CB 3.42Å; A307-K311 VanDerWaalsContact O-CG 3.3Å; A307-K311 WeakPolarHBondContact O-CG 3.35Å; A307-K311 PolarHBondContact O-N 2.7Å; V308-K311 PolarHBondContact O-N 3.42Å; L309-K311 VanDerWaalsContact C-N 3.32Å; L309-K311 PolarHBondContact O-N 2.79Å |
| 312 | M | 81.1 | Confident | 76.2 | Confident | 114 Ų | 114 | 71 Ų | 71 | 56% | 0.562 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -67.5 | -37.1 | 178.2 | -69.4 | 174.7 | 72.9 | 0 | 0 | 112.2 | V308 L309 M314 G315 | V308-M312 HydrophobicContact CG1-CG 4.48Å; V308-M312 HydrophobicContact CG1-SD 3.9Å; V308-M312 VanDerWaalsContact O-CG 3.31Å; V308-M312 WeakPolarHBondContact O-CG 3.26Å; V308-M312 PolarHBondContact O-N 3Å; L309-M312 PolarHBondContact O-N 3.45Å; M312-M314 VanDerWaalsContact C-N 3.29Å; M312-M314 PolarHBondContact O-N 3.36Å; M312-G315 PolarHBondContact O-N 3.08Å |
| 313 | S | 72.7 | Confident | 75.8 | Confident | 28 Ų | 28 | 71.4 Ų | 71.4 | 20% | 0.196 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -69.7 | -23.8 | -179.1 | 68.5 | 0 | 0 | 0 | 0 | 114 | L309 L310 G315 G316 I319 | L309-S313 PolarHBondContact O-N 3.1Å; L310-S313 PolarHBondContact O-OG 2.98Å; S313-G315 PolarHBondContact O-N 3.46Å; S313-G315 VanDerWaalsContact O-N 3.1Å; S313-G316 PolarHBondContact O-N 2.83Å; S313-G316 VanDerWaalsContact O-N 3.14Å; S313-I319 VanDerWaalsContact CB-CG1 3.42Å; S313-I319 WeakPolarHBondContact OG-CD1 3.4Å |
| 314 | M | 63.8 | Low | 75.4 | Confident | 165 Ų | 165 | 72.4 Ų | 72.4 | 81% | 0.813 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -16.4 | 174.5 | -67.6 | -62.7 | -69.9 | 0 | 0 | 113 | L310 M312 G316 | L310-M314 WeakPolarHBondContact O-CG 3.42Å; L310-M314 PolarHBondContact O-N 3.11Å; M312-M314 VanDerWaalsContact C-N 3.29Å; M312-M314 PolarHBondContact O-N 3.36Å; M314-G316 VanDerWaalsContact C-N 3.29Å; M314-G316 PolarHBondContact O-N 3.04Å |
| 315 | G | 56.5 | Low | 74.8 | Confident | 70 Ų | 70 | 69.7 Ų | 69.7 | 72% | 0.722 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | 9.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | M312 S313 | M312-G315 PolarHBondContact O-N 3.08Å; S313-G315 PolarHBondContact O-N 3.46Å; S313-G315 VanDerWaalsContact O-N 3.1Å |
| 316 | G | 52.1 | Low | 74.4 | Confident | 69 Ų | 69 | 66.2 Ų | 66.2 | 71% | 0.711 | 37% | 0.373 | S | S | * | . | S | Bend | trans | 91.2 | 3.8 | 176 | 0 | 0 | 0 | 0 | 0 | 115.7 | S313 M314 R318 | S313-G316 PolarHBondContact O-N 2.83Å; S313-G316 VanDerWaalsContact O-N 3.14Å; M314-G316 VanDerWaalsContact C-N 3.29Å; M314-G316 PolarHBondContact O-N 3.04Å; G316-R318 PolarHBondContact O-N 3.38Å |
| 317 | L | 53.9 | Low | 74.1 | Confident | 131 Ų | 131 | 66.3 Ų | 66.3 | 69% | 0.686 | 38% | 0.375 | S | S | * | . | trans | -80.2 | 113.8 | 170.1 | -71.8 | 165 | 0 | 0 | 0 | 109 | I319 | L317-I319 PolarHBondContact O-N 2.92Š| ||
| 318 | R | 55.7 | Low | 73.8 | Confident | 207 Ų | 207 | 68 Ų | 68 | 78% | 0.781 | 40% | 0.395 | S | S | * | . | trans | -60.4 | 131.4 | 174.2 | -78.4 | -179.9 | 169.6 | -145.9 | 4.6 | 110.1 | G316 D320 | G316-R318 PolarHBondContact O-N 3.38Å; R318-D320 HydrophobicContact CB-CB 4.43Å; R318-D320 WeakPolarHBondContact CD-OD2 3.22Å; R318-D320 IonicContact NH1-OD2 3.91Å; R318-D320 PolarHBondContact NH1-OD2 2.95Å; R318-D320 PolarHBondContact O-N 3.5Å | ||
| 319 | I | 61.8 | Low | 73.6 | Confident | 3 Ų | 3 | 69.7 Ų | 69.7 | 2% | 0.015 | 40% | 0.398 | C | S | . | . | G | 310 helix | trans | -68.8 | -9.7 | 178 | -74.7 | 177.1 | 0 | 0 | 0 | 112.1 | S275 L310 S313 L317 N321 H322 | S275-I319 WeakPolarHBondContact OG-CD1 3.4Å; L310-I319 HydrophobicContact CD2-CD1 4.28Å; S313-I319 VanDerWaalsContact CB-CG1 3.42Å; S313-I319 WeakPolarHBondContact OG-CD1 3.4Å; L317-I319 PolarHBondContact O-N 2.92Å; I319-N321 PolarHBondContact O-N 3.44Å; I319-H322 WeakPolarHBondContact CG1-NE2 3.46Å; I319-H322 PolarHBondContact O-CD2 3.31Å; I319-H322 PolarHBondContact O-N 2.94Å; I319-H322 VanDerWaalsContact O-N 3.13Å |
| 320 | D | 59.9 | Low | 73.5 | Confident | 63 Ų | 63 | 70.7 Ų | 70.7 | 34% | 0.337 | 40% | 0.401 | S | S | . | . | G | 310 helix | trans | -54.9 | -17 | -167.9 | -58.1 | -5.2 | 0 | 0 | 0 | 115.8 | R318 | R318-D320 HydrophobicContact CB-CB 4.43Å; R318-D320 WeakPolarHBondContact CD-OD2 3.22Å; R318-D320 IonicContact NH1-OD2 3.91Å; R318-D320 PolarHBondContact NH1-OD2 2.95Å; R318-D320 PolarHBondContact O-N 3.5Å |
| 321 | N | 66.3 | Low | 73.7 | Confident | 89 Ų | 89 | 72.6 Ų | 72.6 | 48% | 0.476 | 42% | 0.415 | S | S | . | . | G | 310 helix | trans | -118.6 | 25 | -178.7 | -74.4 | -14.5 | 0 | 0 | 0 | 114.7 | I319 W323 G324 T325 | I319-N321 PolarHBondContact O-N 3.44Å; N321-W323 PolarHBondContact O-N 3.46Å; N321-W323 VanDerWaalsContact O-N 3.14Å; N321-G324 PolarHBondContact O-N 2.97Å; N321-T325 HydrophobicContact CB-CG2 4.48Å; N321-T325 WeakPolarHBondContact ND2-CG2 3.49Å |
| 322 | H | 74.6 | Confident | 74 | Confident | 55 Ų | 55 | 68.7 Ų | 68.7 | 26% | 0.255 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -32.8 | 179.4 | -81.7 | -155.4 | 0 | 0 | 0 | 114.1 | I319 | I319-H322 WeakPolarHBondContact CG1-NE2 3.46Å; I319-H322 PolarHBondContact O-CD2 3.31Å; I319-H322 PolarHBondContact O-N 2.94Å; I319-H322 VanDerWaalsContact O-N 3.13Å |
| 323 | W | 85.3 | Confident | 74.6 | Confident | 9 Ų | 9 | 68.9 Ų | 68.9 | 3% | 0.034 | 41% | 0.407 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | -6.8 | -178 | -56.6 | 114.5 | 0 | 0 | 0 | 113.5 | A218 R221 E222 S225 L265 Q268 F269 N321 | A218-W323 WeakPolarHBondContact CB-O 3.19Å; R221-W323 HydrophobicContact CB-CD2 3.62Å; R221-W323 HydrophobicContact CB-CE3 3.64Å; R221-W323 HydrophobicContact CB-CG 4.09Å; R221-W323 HydrophobicContact CB-CH2 4.28Å; R221-W323 HydrophobicContact CB-CZ2 4.34Å; R221-W323 HydrophobicContact CB-CZ3 3.97Å; R221-W323 HydrophobicContact CG-CE3 4.34Å; R221-W323 HydrophobicContact CG-CZ3 4.3Å; E222-W323 HydrophobicContact CB-CB 3.98Å; E222-W323 HydrophobicContact CB-CG 4.33Å; E222-W323 VanDerWaalsContact OE2-CD1 3.29Å; S225-W323 PolarHBondContact OG-NE1 2.92Å; L265-W323 HydrophobicContact CD2-CZ3 3.8Å; L265-W323 WeakPolarHBondContact O-CH2 3.39Å; Q268-W323 HydrophobicContact CB-CH2 3.54Å; Q268-W323 HydrophobicContact CB-CZ2 3.93Å; Q268-W323 HydrophobicContact CB-CZ3 3.91Å; F269-W323 HydrophobicContact CB-CZ2 4.3Å; F269-W323 HydrophobicContact CD1-CH2 4.3Å; F269-W323 AromaticContact CD1-CZ2 3.57Å; F269-W323 HydrophobicContact CD1-CZ2 3.57Å; F269-W323 AromaticContact CD2-CH2 3.39Å; F269-W323 HydrophobicContact CD2-CH2 3.39Å; F269-W323 AromaticContact CD2-CZ2 3.54Å; F269-W323 HydrophobicContact CD2-CZ2 3.54Å; F269-W323 HydrophobicContact CE1-CH2 4.33Å; F269-W323 AromaticContact CE1-CZ2 3.64Å; F269-W323 HydrophobicContact CE1-CZ2 3.64Å; F269-W323 AromaticContact CE2-CH2 3.42Å; F269-W323 HydrophobicContact CE2-CH2 3.42Å; F269-W323 VanDerWaalsContact CE2-CH2 3.42Å; F269-W323 AromaticContact CE2-CZ2 3.61Å; F269-W323 HydrophobicContact CE2-CZ2 3.61Å; F269-W323 HydrophobicContact CE2-CZ3 4.38Å; F269-W323 AromaticContact CG-CH2 3.86Å; F269-W323 HydrophobicContact CG-CH2 3.86Å; F269-W323 AromaticContact CG-CZ2 3.51Å; F269-W323 HydrophobicContact CG-CZ2 3.51Å; F269-W323 AromaticContact CZ-CH2 3.91Å; F269-W323 HydrophobicContact CZ-CH2 3.91Å; F269-W323 AromaticContact CZ-CZ2 3.67Å; F269-W323 HydrophobicContact CZ-CZ2 3.67Å; N321-W323 PolarHBondContact O-N 3.46Å; N321-W323 VanDerWaalsContact O-N 3.14Å |
| 324 | G | 81.4 | Confident | 75.6 | Confident | 32 Ų | 32 | 71.9 Ų | 71.9 | 33% | 0.33 | 42% | 0.418 | S | S | . | . | trans | 105.4 | 168.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | N321 R330 | N321-G324 PolarHBondContact O-N 2.97Å; G324-R330 PolarHBondContact O-NH2 3.37Å; G324-R330 VanDerWaalsContact O-NH2 3.1Å | ||
| 325 | T | 79.6 | Confident | 77 | Confident | 37 Ų | 37 | 64.4 Ų | 64.4 | 23% | 0.227 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -95.8 | -1.1 | -174.6 | 48 | 0 | 0 | 0 | 0 | 113.4 | N321 E338 | N321-T325 HydrophobicContact CB-CG2 4.48Å; N321-T325 WeakPolarHBondContact ND2-CG2 3.49Å; T325-E338 WeakPolarHBondContact CB-OE2 3.43Å; T325-E338 PolarHBondContact OG1-OE2 3.42Å |
| 326 | G | 81.8 | Confident | 78.9 | Confident | 7 Ų | 7 | 63 Ų | 63 | 7% | 0.072 | 36% | 0.357 | C | S | . | . | trans | -79.6 | 178.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | R330 L362 | G326-R330 WeakPolarHBondContact O-CG 3.36Å; G326-R330 PolarHBondContact O-NE 3.47Å; G326-L362 WeakPolarHBondContact CA-O 3.04Å | ||
| 327 | G | 86.7 | Confident | 81 | Confident | 3 Ų | 3 | 65.8 Ų | 65.8 | 3% | 0.031 | 35% | 0.349 | C | S | . | . | trans | 113.5 | 143.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q329 R330 L362 | G327-Q329 PolarHBondContact O-N 2.78Å; G327-Q329 VanDerWaalsContact O-N 3.16Å; G327-R330 WeakPolarHBondContact O-CB 3.39Å; G327-R330 WeakPolarHBondContact O-CG 3.46Å; G327-R330 PolarHBondContact O-N 2.87Å; G327-R330 VanDerWaalsContact O-N 3.1Å; G327-L362 PolarHBondContact N-O 3.07Å | ||
| 328 | G | 84.4 | Confident | 82.9 | Confident | 63 Ų | 63 | 62.3 Ų | 62.3 | 65% | 0.649 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -15.2 | 180 | 0 | 0 | 0 | 0 | 0 | 115.2 | R330 | G328-R330 VanDerWaalsContact C-N 3.3Š|
| 329 | Q | 84.5 | Confident | 84.8 | Confident | 110 Ų | 110 | 52.4 Ų | 52.4 | 51% | 0.514 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -3.6 | 176 | -60.9 | -61.6 | -16.3 | 0 | 0 | 113 | E182 G327 | E182-Q329 PolarHBondContact O-NE2 3.1Å; G327-Q329 PolarHBondContact O-N 2.78Å; G327-Q329 VanDerWaalsContact O-N 3.16Å |
| 330 | R | 87 | Confident | 86.5 | Confident | 33 Ų | 33 | 53.9 Ų | 53.9 | 13% | 0.125 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -77.7 | 144.4 | 177.8 | -63.5 | -70.4 | -172.4 | 172.5 | 3.8 | 110.7 | G324 G326 G327 G328 V332 L335 | G324-R330 PolarHBondContact O-NH2 3.37Å; G324-R330 VanDerWaalsContact O-NH2 3.1Å; G326-R330 WeakPolarHBondContact O-CG 3.36Å; G326-R330 PolarHBondContact O-NE 3.47Å; G327-R330 WeakPolarHBondContact O-CB 3.39Å; G327-R330 WeakPolarHBondContact O-CG 3.46Å; G327-R330 PolarHBondContact O-N 2.87Å; G327-R330 VanDerWaalsContact O-N 3.1Å; G328-R330 VanDerWaalsContact C-N 3.3Å; R330-V332 PolarHBondContact O-N 3.34Å; R330-L335 HydrophobicContact CB-CD2 4.07Å; R330-L335 HydrophobicContact CB-CG 4.14Å |
| 331 | P | 91.3 | Very high | 88.2 | Confident | 72 Ų | 72 | 55.7 Ų | 55.7 | 47% | 0.468 | 31% | 0.309 | S | S | . | . | trans | -55.2 | 135.1 | 171.2 | -24 | 32.3 | 0 | 0 | 0 | 111.7 | I333 Q334 L335 | P331-I333 PolarHBondContact O-N 3.22Å; P331-I333 VanDerWaalsContact O-N 3.12Å; P331-Q334 HydrophobicContact CB-CG 4.31Å; P331-Q334 HydrophobicContact CG-CG 4.44Å; P331-Q334 WeakPolarHBondContact O-CA 3.45Å; P331-Q334 WeakPolarHBondContact O-CB 3.5Å; P331-Q334 PolarHBondContact O-N 3.35Å; P331-L335 PolarHBondContact O-N 2.95Å | ||
| 332 | V | 94.6 | Very high | 89.7 | Confident | 82 Ų | 82 | 52 Ų | 52 | 50% | 0.497 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -53.7 | -38.3 | -178.8 | 177.9 | 0 | 0 | 0 | 0 | 112.2 | R330 Q334 L335 I336 F367 | R330-V332 PolarHBondContact O-N 3.34Å; V332-Q334 VanDerWaalsContact C-N 3.26Å; V332-Q334 PolarHBondContact O-N 3.05Å; V332-L335 PolarHBondContact O-N 3.1Å; V332-L335 VanDerWaalsContact O-N 3.15Å; V332-I336 HydrophobicContact CG1-CD1 3.82Å; V332-I336 HydrophobicContact CG1-CG1 4.28Å; V332-I336 WeakPolarHBondContact O-CG1 3.44Å; V332-I336 PolarHBondContact O-N 2.72Å; V332-F367 HydrophobicContact CG1-CE1 4.16Å; V332-F367 HydrophobicContact CG1-CE2 4.2Å; V332-F367 HydrophobicContact CG1-CZ 3.56Å |
| 333 | I | 93.9 | Very high | 90.8 | Very high | 118 Ų | 118 | 49.4 Ų | 49.4 | 61% | 0.605 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -60.9 | -35.1 | 177.7 | -60.9 | 169.4 | 0 | 0 | 0 | 111.7 | P331 K337 | P331-I333 PolarHBondContact O-N 3.22Å; P331-I333 VanDerWaalsContact O-N 3.12Å; I333-K337 VanDerWaalsContact O-CG 3.29Å; I333-K337 WeakPolarHBondContact O-CG 3.42Å; I333-K337 PolarHBondContact O-N 2.94Å |
| 334 | Q | 91.9 | Very high | 91.3 | Very high | 91 Ų | 91 | 54.6 Ų | 54.6 | 43% | 0.425 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -70.9 | -44.7 | 175.5 | -68 | -177.2 | -12 | 0 | 0 | 110.5 | P331 V332 I336 K337 E338 | P331-Q334 HydrophobicContact CB-CG 4.31Å; P331-Q334 HydrophobicContact CG-CG 4.44Å; P331-Q334 WeakPolarHBondContact O-CA 3.45Å; P331-Q334 WeakPolarHBondContact O-CB 3.5Å; P331-Q334 PolarHBondContact O-N 3.35Å; V332-Q334 VanDerWaalsContact C-N 3.26Å; V332-Q334 PolarHBondContact O-N 3.05Å; Q334-I336 VanDerWaalsContact C-N 3.32Å; Q334-I336 PolarHBondContact O-N 3.33Å; Q334-K337 WeakPolarHBondContact O-CB 3.28Å; Q334-K337 PolarHBondContact O-N 3.05Å; Q334-E338 WeakPolarHBondContact O-CG 3.37Å; Q334-E338 PolarHBondContact O-N 2.98Å |
| 335 | L | 94.8 | Very high | 92 | Very high | 8 Ų | 8 | 58 Ų | 58 | 4% | 0.042 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -58.8 | -43.2 | 177.3 | -64.6 | 172.5 | 0 | 0 | 0 | 112.2 | R330 P331 V332 K337 E338 M339 V364 F367 | R330-L335 HydrophobicContact CB-CD2 4.07Å; R330-L335 HydrophobicContact CB-CG 4.14Å; P331-L335 PolarHBondContact O-N 2.95Å; V332-L335 PolarHBondContact O-N 3.1Å; V332-L335 VanDerWaalsContact O-N 3.15Å; L335-K337 VanDerWaalsContact C-N 3.32Å; L335-K337 PolarHBondContact O-N 3.2Å; L335-E338 PolarHBondContact O-N 3.21Å; L335-M339 WeakPolarHBondContact O-CG 3.43Å; L335-M339 PolarHBondContact O-N 2.94Å; L335-V364 HydrophobicContact CD1-CG1 3.95Å; L335-V364 HydrophobicContact CD2-CG1 4.3Å; L335-V364 HydrophobicContact CD2-CG2 4.38Å; L335-F367 HydrophobicContact CB-CD1 4.29Å; L335-F367 HydrophobicContact CB-CE1 4.04Å; L335-F367 HydrophobicContact CD1-CD1 4.28Å |
| 336 | I | 96 | Very high | 92.9 | Very high | 42 Ų | 42 | 56.6 Ų | 56.6 | 22% | 0.215 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -59.9 | -43.4 | 175 | -68.4 | 167.7 | 0 | 0 | 0 | 110.8 | V332 Q334 M339 N340 F367 E370 E374 | V332-I336 HydrophobicContact CG1-CD1 3.82Å; V332-I336 HydrophobicContact CG1-CG1 4.28Å; V332-I336 WeakPolarHBondContact O-CG1 3.44Å; V332-I336 PolarHBondContact O-N 2.72Å; Q334-I336 VanDerWaalsContact C-N 3.32Å; Q334-I336 PolarHBondContact O-N 3.33Å; I336-M339 PolarHBondContact O-N 3Å; I336-N340 WeakPolarHBondContact CG2-ND2 3.23Å; I336-N340 WeakPolarHBondContact O-CB 3.23Å; I336-N340 PolarHBondContact O-N 3.39Å; I336-N340 PolarHBondContact O-ND2 3.05Å; I336-F367 HydrophobicContact CD1-CZ 4.42Å; I336-F367 HydrophobicContact CG1-CE1 4.15Å; I336-F367 HydrophobicContact CG1-CZ 4.03Å; I336-E370 HydrophobicContact CG1-CG 3.88Å; I336-E374 VanDerWaalsContact CG2-OE1 3.3Å; I336-E374 WeakPolarHBondContact CG2-OE1 3.45Å |
| 337 | K | 94.9 | Very high | 93.6 | Very high | 127 Ų | 127 | 57.4 Ų | 57.4 | 55% | 0.552 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -61.4 | -44.9 | 176.8 | -75.2 | 172.8 | -179.7 | -177.3 | 0 | 111.8 | I333 Q334 L335 N340 L341 | I333-K337 VanDerWaalsContact O-CG 3.29Å; I333-K337 WeakPolarHBondContact O-CG 3.42Å; I333-K337 PolarHBondContact O-N 2.94Å; Q334-K337 WeakPolarHBondContact O-CB 3.28Å; Q334-K337 PolarHBondContact O-N 3.05Å; L335-K337 VanDerWaalsContact C-N 3.32Å; L335-K337 PolarHBondContact O-N 3.2Å; K337-N340 PolarHBondContact O-N 3.43Å; K337-L341 WeakPolarHBondContact O-CG 3.29Å; K337-L341 PolarHBondContact O-N 3.11Å |
| 338 | E | 94.8 | Very high | 94 | Very high | 57 Ų | 57 | 64.4 Ų | 64.4 | 27% | 0.266 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -64.3 | -42.5 | 178.2 | -62.5 | -62.9 | 123.1 | 0 | 0 | 111.7 | T325 Q334 L335 N340 L341 L342 L362 | T325-E338 WeakPolarHBondContact CB-OE2 3.43Å; T325-E338 PolarHBondContact OG1-OE2 3.42Å; Q334-E338 WeakPolarHBondContact O-CG 3.37Å; Q334-E338 PolarHBondContact O-N 2.98Å; L335-E338 PolarHBondContact O-N 3.21Å; E338-N340 VanDerWaalsContact C-N 3.33Å; E338-N340 PolarHBondContact O-N 3.19Å; E338-L341 PolarHBondContact O-N 2.79Å; E338-L342 WeakPolarHBondContact O-CB 3.47Å; E338-L342 PolarHBondContact O-N 3.34Å; E338-L362 HydrophobicContact CB-CD2 3.68Å; E338-L362 HydrophobicContact CG-CD2 4.21Å |
| 339 | M | 96.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61 | -41.7 | 174.6 | -71.7 | -179.9 | 179.1 | 0 | 0 | 112.1 | L335 I336 L342 L343 L362 V364 F367 E370 F371 | L335-M339 WeakPolarHBondContact O-CG 3.43Å; L335-M339 PolarHBondContact O-N 2.94Å; I336-M339 PolarHBondContact O-N 3Å; M339-L342 PolarHBondContact O-N 3.41Å; M339-L343 WeakPolarHBondContact O-CG 3.43Å; M339-L343 PolarHBondContact O-N 3.02Å; M339-L362 HydrophobicContact CE-CD1 4.13Å; M339-L362 HydrophobicContact CG-CD1 3.64Å; M339-V364 HydrophobicContact CE-CG2 3.95Å; M339-F367 HydrophobicContact CE-CD1 3.66Å; M339-F367 HydrophobicContact CE-CE1 4.23Å; M339-F367 HydrophobicContact CE-CG 4.5Å; M339-F367 HydrophobicContact SD-CD1 4.33Å; M339-F367 HydrophobicContact SD-CE1 4.33Å; M339-E370 HydrophobicContact SD-CB 3.83Å; M339-E370 HydrophobicContact SD-CG 3.98Å; M339-F371 HydrophobicContact CB-CD2 4.13Å; M339-F371 HydrophobicContact CE-CB 4.42Å; M339-F371 HydrophobicContact CG-CB 4.44Å; M339-F371 HydrophobicContact CG-CD2 4.17Å; M339-F371 HydrophobicContact SD-CB 3.86Å |
| 340 | N | 96.6 | Very high | 95.1 | Very high | 34 Ų | 34 | 61.3 Ų | 61.3 | 18% | 0.182 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65.2 | -40.6 | 175.8 | -89.8 | -78.7 | 0 | 0 | 0 | 112.5 | I336 K337 E338 K344 E374 | I336-N340 WeakPolarHBondContact CG2-ND2 3.23Å; I336-N340 WeakPolarHBondContact O-CB 3.23Å; I336-N340 PolarHBondContact O-N 3.39Å; I336-N340 PolarHBondContact O-ND2 3.05Å; K337-N340 PolarHBondContact O-N 3.43Å; E338-N340 VanDerWaalsContact C-N 3.33Å; E338-N340 PolarHBondContact O-N 3.19Å; N340-K344 WeakPolarHBondContact O-CB 3.47Å; N340-K344 VanDerWaalsContact O-CG 3.26Å; N340-K344 WeakPolarHBondContact O-CG 3.47Å; N340-K344 PolarHBondContact O-N 2.96Å; N340-E374 PolarHBondContact ND2-OE1 2.85Å |
| 341 | L | 95.9 | Very high | 95.5 | Very high | 100 Ų | 100 | 63.4 Ų | 63.4 | 52% | 0.524 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -64.1 | -45.8 | 175.3 | -74.4 | 171.6 | 0 | 0 | 0 | 111.1 | K337 E338 L343 K344 E345 | K337-L341 WeakPolarHBondContact O-CG 3.29Å; K337-L341 PolarHBondContact O-N 3.11Å; E338-L341 PolarHBondContact O-N 2.79Å; L341-L343 PolarHBondContact O-N 3.22Å; L341-K344 PolarHBondContact O-N 3.21Å; L341-E345 WeakPolarHBondContact O-CB 3.42Å; L341-E345 PolarHBondContact O-N 3.35Å |
| 342 | L | 96.6 | Very high | 95.7 | Very high | 12 Ų | 12 | 60.9 Ų | 60.9 | 6% | 0.063 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -55.9 | -50.1 | 175.6 | -173.2 | 176.8 | 0 | 0 | 0 | 111.3 | E338 M339 K344 E345 Y346 A355 C358 L359 F371 | E338-L342 WeakPolarHBondContact O-CB 3.47Å; E338-L342 PolarHBondContact O-N 3.34Å; M339-L342 PolarHBondContact O-N 3.41Å; L342-K344 PolarHBondContact O-N 3.16Å; L342-E345 PolarHBondContact O-N 3.38Å; L342-Y346 WeakPolarHBondContact O-CB 3.43Å; L342-Y346 PolarHBondContact O-N 3.2Å; L342-A355 HydrophobicContact CD2-CB 3.67Å; L342-C358 HydrophobicContact CD1-CB 3.48Å; L342-C358 VanDerWaalsContact CD1-CB 3.48Å; L342-C358 HydrophobicContact CG-CB 3.71Å; L342-L359 HydrophobicContact CD1-CB 3.98Å; L342-F371 HydrophobicContact CD1-CE2 4.04Å; L342-F371 HydrophobicContact CD2-CE2 3.76Å; L342-F371 HydrophobicContact CD2-CZ 4.05Å; L342-F371 HydrophobicContact CG-CE2 4.38Å |
| 343 | L | 97.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61.1 | -44.7 | 179.2 | -75 | 168.6 | 0 | 0 | 0 | 111.5 | M339 L341 Y346 I347 F371 E374 A375 M378 L394 | M339-L343 WeakPolarHBondContact O-CG 3.43Å; M339-L343 PolarHBondContact O-N 3.02Å; L341-L343 PolarHBondContact O-N 3.22Å; L343-Y346 PolarHBondContact O-N 3.39Å; L343-I347 WeakPolarHBondContact O-CG1 3.28Å; L343-I347 PolarHBondContact O-N 3.35Å; L343-F371 HydrophobicContact CD1-CD2 4.47Å; L343-F371 HydrophobicContact CD1-CE2 4.3Å; L343-F371 HydrophobicContact CD2-CD2 4.47Å; L343-F371 HydrophobicContact CD2-CE1 4.05Å; L343-F371 HydrophobicContact CD2-CE2 3.63Å; L343-F371 HydrophobicContact CD2-CZ 3.39Å; L343-F371 HydrophobicContact CG-CD2 4.26Å; L343-F371 HydrophobicContact CG-CE2 3.63Å; L343-F371 HydrophobicContact CG-CZ 3.96Å; L343-E374 HydrophobicContact CD1-CB 3.92Å; L343-A375 HydrophobicContact CD1-CB 3.98Å; L343-A375 HydrophobicContact CD2-CB 3.76Å; L343-M378 HydrophobicContact CB-CE 3.42Å; L343-M378 VanDerWaalsContact CB-CE 3.42Å; L343-M378 HydrophobicContact CB-SD 4.18Å; L343-M378 HydrophobicContact CD1-CE 4.18Å; L343-M378 HydrophobicContact CG-CE 4.4Å; L343-L394 HydrophobicContact CD2-CD2 4.13Å |
| 344 | K | 96.4 | Very high | 95.9 | Very high | 118 Ų | 118 | 61 Ų | 61 | 51% | 0.513 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62 | -44.4 | 177.6 | -74.5 | 170 | -176.8 | 172.2 | 0 | 111.6 | N340 L341 L342 Y346 I347 L348 M378 | N340-K344 WeakPolarHBondContact O-CB 3.47Å; N340-K344 VanDerWaalsContact O-CG 3.26Å; N340-K344 WeakPolarHBondContact O-CG 3.47Å; N340-K344 PolarHBondContact O-N 2.96Å; L341-K344 PolarHBondContact O-N 3.21Å; L342-K344 PolarHBondContact O-N 3.16Å; K344-Y346 VanDerWaalsContact C-N 3.34Å; K344-Y346 PolarHBondContact O-N 3.01Å; K344-I347 PolarHBondContact O-N 3.44Å; K344-L348 WeakPolarHBondContact O-CG 3.27Å; K344-L348 PolarHBondContact O-N 3.49Å; K344-M378 HydrophobicContact CG-CE 4.11Å |
| 345 | E | 96.9 | Very high | 96.1 | Very high | 103 Ų | 103 | 56.9 Ų | 56.9 | 48% | 0.481 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -59.4 | -46.4 | 175.5 | -176.5 | 177.2 | 171.1 | 0 | 0 | 110.9 | L341 L342 I347 L348 S349 | L341-E345 WeakPolarHBondContact O-CB 3.42Å; L341-E345 PolarHBondContact O-N 3.35Å; L342-E345 PolarHBondContact O-N 3.38Å; E345-I347 VanDerWaalsContact C-N 3.34Å; E345-I347 PolarHBondContact O-N 3.25Å; E345-L348 CarbonylContact O-C 3.52Å; E345-L348 WeakPolarHBondContact O-CB 3.22Å; E345-L348 PolarHBondContact O-N 3.48Å; E345-S349 WeakPolarHBondContact O-CB 3.45Å; E345-S349 PolarHBondContact O-N 3.44Å; E345-S349 PolarHBondContact O-OG 2.92Å; E345-S349 VanDerWaalsContact O-OG 3.09Å |
| 346 | Y | 97.6 | Very high | 96.1 | Very high | 8 Ų | 8 | 56.8 Ų | 56.8 | 3% | 0.031 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -59.2 | -40.7 | 177.3 | 172.1 | -105 | 0 | 0 | 0 | 113.1 | L342 L343 K344 L348 G350 D351 A355 M390 L394 | L342-Y346 WeakPolarHBondContact O-CB 3.43Å; L342-Y346 PolarHBondContact O-N 3.2Å; L343-Y346 PolarHBondContact O-N 3.39Å; K344-Y346 VanDerWaalsContact C-N 3.34Å; K344-Y346 PolarHBondContact O-N 3.01Å; Y346-L348 PolarHBondContact O-N 3.46Å; Y346-G350 VanDerWaalsContact O-CA 3.29Å; Y346-G350 WeakPolarHBondContact O-CA 3.44Å; Y346-G350 PolarHBondContact O-N 3.4Å; Y346-D351 WeakPolarHBondContact CD2-O 3.34Å; Y346-A355 HydrophobicContact CD2-CB 3.95Å; Y346-A355 HydrophobicContact CG-CB 4.26Å; Y346-M390 HydrophobicContact CE1-CB 3.91Å; Y346-M390 HydrophobicContact CE1-CE 4.25Å; Y346-M390 WeakPolarHBondContact CE1-O 3.16Å; Y346-M390 VanDerWaalsContact O-CE 3.24Å; Y346-M390 WeakPolarHBondContact O-CE 3.4Å; Y346-M390 PolarHBondContact OH-O 2.7Å; Y346-M390 VanDerWaalsContact OH-O 3.12Å; Y346-L394 HydrophobicContact CD1-CB 4.31Å; Y346-L394 HydrophobicContact CD1-CD2 3.63Å; Y346-L394 HydrophobicContact CD1-CG 4.43Å; Y346-L394 HydrophobicContact CD2-CD1 4.36Å; Y346-L394 HydrophobicContact CD2-CD2 4.48Å; Y346-L394 HydrophobicContact CE1-CB 3.62Å; Y346-L394 HydrophobicContact CE1-CD2 3.84Å; Y346-L394 HydrophobicContact CE1-CG 4.19Å; Y346-L394 HydrophobicContact CE2-CD1 4.17Å; Y346-L394 HydrophobicContact CG-CD2 3.96Å |
| 347 | I | 96.7 | Very high | 96.1 | Very high | 24 Ų | 24 | 61.7 Ų | 61.7 | 12% | 0.123 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -65.7 | -28 | 177.5 | -64.3 | -56.5 | 0 | 0 | 0 | 112.2 | L343 K344 E345 M378 K386 T387 M390 V391 | L343-I347 WeakPolarHBondContact O-CG1 3.28Å; L343-I347 PolarHBondContact O-N 3.35Å; K344-I347 PolarHBondContact O-N 3.44Å; E345-I347 VanDerWaalsContact C-N 3.34Å; E345-I347 PolarHBondContact O-N 3.25Å; I347-M378 HydrophobicContact CG1-SD 3.9Å; I347-K386 PolarHBondContact O-NZ 3.39Å; I347-T387 HydrophobicContact CD1-CG2 4.03Å; I347-T387 HydrophobicContact CG1-CG2 4.42Å; I347-M390 HydrophobicContact CD1-CB 3.76Å; I347-M390 HydrophobicContact CD1-CE 4.44Å; I347-M390 HydrophobicContact CD1-SD 4.24Å; I347-V391 HydrophobicContact CD1-CG2 3.98Å |
| 348 | L | 95.8 | Very high | 96.1 | Very high | 150 Ų | 150 | 57.2 Ų | 57.2 | 79% | 0.785 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -83 | -45.9 | 176.9 | -64.6 | 173.9 | 0 | 0 | 0 | 112.1 | K344 E345 Y346 | K344-L348 WeakPolarHBondContact O-CG 3.27Å; K344-L348 PolarHBondContact O-N 3.49Å; E345-L348 CarbonylContact O-C 3.52Å; E345-L348 WeakPolarHBondContact O-CB 3.22Å; E345-L348 PolarHBondContact O-N 3.48Å; Y346-L348 PolarHBondContact O-N 3.46Å |
| 349 | S | 95.8 | Very high | 96.1 | Very high | 70 Ų | 70 | 54.5 Ų | 54.5 | 49% | 0.49 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -84.6 | -36.3 | -174.4 | 69.2 | 0 | 0 | 0 | 0 | 113.3 | E345 D351 | E345-S349 WeakPolarHBondContact O-CB 3.45Å; E345-S349 PolarHBondContact O-N 3.44Å; E345-S349 PolarHBondContact O-OG 2.92Å; E345-S349 VanDerWaalsContact O-OG 3.09Å; S349-D351 PolarHBondContact O-N 3.34Å; S349-D351 PolarHBondContact OG-N 3.15Å |
| 350 | G | 94.7 | Very high | 96 | Very high | 39 Ų | 39 | 61 Ų | 61 | 40% | 0.402 | 31% | 0.307 | S | S | . | . | trans | 72.2 | 7 | -169.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y346 G352 | Y346-G350 VanDerWaalsContact O-CA 3.29Å; Y346-G350 WeakPolarHBondContact O-CA 3.44Å; Y346-G350 PolarHBondContact O-N 3.4Å; G350-G352 PolarHBondContact O-N 2.99Å | ||
| 351 | D | 97.1 | Very high | 95.9 | Very high | 77 Ų | 77 | 63.7 Ų | 63.7 | 41% | 0.412 | 32% | 0.321 | S | S | . | . | trans | -83.2 | 96.5 | -176.8 | -166.4 | -23.1 | 0 | 0 | 0 | 111.4 | Y346 S349 K353 E354 A355 | Y346-D351 WeakPolarHBondContact CD2-O 3.34Å; S349-D351 PolarHBondContact O-N 3.34Å; S349-D351 PolarHBondContact OG-N 3.15Å; D351-K353 VanDerWaalsContact C-N 3.26Å; D351-K353 PolarHBondContact O-N 2.94Å; D351-K353 WeakPolarHBondContact OD1-CA 3.32Å; D351-K353 WeakPolarHBondContact OD1-CB 3.32Å; D351-K353 PolarHBondContact OD1-N 3.04Å; D351-E354 HydrophobicContact CB-CB 4.04Å; D351-E354 PolarHBondContact OD1-N 2.65Å; D351-A355 PolarHBondContact O-N 3.44Å; D351-A355 VanDerWaalsContact O-N 3.16Å | ||
| 352 | G | 95.3 | Very high | 95.8 | Very high | 19 Ų | 19 | 59.2 Ų | 59.2 | 20% | 0.196 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -68.2 | -24.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | G350 E356 | G350-G352 PolarHBondContact O-N 2.99Å; G352-E356 WeakPolarHBondContact O-CB 3.47Å; G352-E356 PolarHBondContact O-N 3.36Å; G352-E356 VanDerWaalsContact O-N 3.09Å |
| 353 | K | 95.4 | Very high | 95.7 | Very high | 138 Ų | 138 | 60.5 Ų | 60.5 | 60% | 0.6 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -78.1 | -39.8 | -179.8 | -72.4 | -70.6 | 165.8 | -158.8 | 0 | 111.2 | D351 E356 R357 | D351-K353 VanDerWaalsContact C-N 3.26Å; D351-K353 PolarHBondContact O-N 2.94Å; D351-K353 WeakPolarHBondContact OD1-CA 3.32Å; D351-K353 WeakPolarHBondContact OD1-CB 3.32Å; D351-K353 PolarHBondContact OD1-N 3.04Å; K353-E356 IonicContact NZ-OE2 2.77Å; K353-E356 PolarHBondContact NZ-OE2 3.15Å; K353-E356 PolarHBondContact O-N 3.43Å; K353-R357 PolarHBondContact O-N 3.29Å |
| 354 | E | 95.9 | Very high | 95.6 | Very high | 64 Ų | 64 | 61.1 Ų | 61.1 | 30% | 0.299 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -66.1 | -42.9 | 173.1 | -169.6 | 58.2 | -158.7 | 0 | 0 | 111.1 | D351 E356 R357 C358 | D351-E354 HydrophobicContact CB-CB 4.04Å; D351-E354 PolarHBondContact OD1-N 2.65Å; E354-E356 VanDerWaalsContact C-N 3.31Å; E354-E356 PolarHBondContact O-N 2.89Å; E354-R357 WeakPolarHBondContact O-CB 3.41Å; E354-R357 PolarHBondContact O-N 3.32Å; E354-R357 VanDerWaalsContact O-N 3.08Å; E354-R357 IonicContact OE2-NH1 2.56Å; E354-C358 PolarHBondContact O-N 3.06Å; E354-C358 PolarHBondContact O-SG 2.67Å; E354-C358 VanDerWaalsContact O-SG 3.34Å |
| 355 | A | 96.5 | Very high | 95.5 | Very high | 4 Ų | 4 | 58.9 Ų | 58.9 | 3% | 0.033 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -58.3 | -42 | 174 | 0 | 0 | 0 | 0 | 0 | 112.7 | L342 Y346 D351 L359 L394 | L342-A355 HydrophobicContact CD2-CB 3.67Å; Y346-A355 HydrophobicContact CD2-CB 3.95Å; Y346-A355 HydrophobicContact CG-CB 4.26Å; D351-A355 PolarHBondContact O-N 3.44Å; D351-A355 VanDerWaalsContact O-N 3.16Å; A355-L359 WeakPolarHBondContact O-CB 3.48Å; A355-L359 PolarHBondContact O-N 2.77Å; A355-L394 HydrophobicContact CB-CD1 3.79Å; A355-L394 HydrophobicContact CB-CD2 4.44Å |
| 356 | E | 96 | Very high | 95.5 | Very high | 7 Ų | 7 | 61.3 Ų | 61.3 | 3% | 0.033 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.1 | -40.9 | 174.2 | 141.2 | 161.2 | -129 | 0 | 0 | 112 | G352 K353 E354 R360 L398 S401 I403 | G352-E356 WeakPolarHBondContact O-CB 3.47Å; G352-E356 PolarHBondContact O-N 3.36Å; G352-E356 VanDerWaalsContact O-N 3.09Å; K353-E356 IonicContact NZ-OE2 2.77Å; K353-E356 PolarHBondContact NZ-OE2 3.15Å; K353-E356 PolarHBondContact O-N 3.43Å; E354-E356 VanDerWaalsContact C-N 3.31Å; E354-E356 PolarHBondContact O-N 2.89Å; E356-R360 WeakPolarHBondContact O-CG 3.01Å; E356-R360 PolarHBondContact O-N 3.44Å; E356-R360 IonicContact OE1-CZ 2.73Å; E356-R360 IonicContact OE1-NH2 2.66Å; E356-R360 PolarHBondContact OE1-NH2 3.24Å; E356-L398 HydrophobicContact CB-CD2 3.79Å; E356-S401 VanDerWaalsContact OE1-CB 3.3Å; E356-S401 WeakPolarHBondContact OE1-CB 3.26Å; E356-S401 PolarHBondContact OE1-OG 3.02Å; E356-S401 VanDerWaalsContact OE1-OG 3.07Å; E356-I403 HydrophobicContact CB-CD1 3.76Å; E356-I403 VanDerWaalsContact CD-CD1 3.46Å; E356-I403 HydrophobicContact CG-CD1 3.27Å; E356-I403 WeakPolarHBondContact OE1-CD1 3.48Å |
| 357 | R | 94.9 | Very high | 95.5 | Very high | 144 Ų | 144 | 62.7 Ų | 62.7 | 54% | 0.543 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -66.3 | -52.4 | 176.1 | -176.8 | -173.8 | 177.7 | -177.3 | 0.8 | 111.7 | K353 E354 L359 R360 D361 | K353-R357 PolarHBondContact O-N 3.29Å; E354-R357 WeakPolarHBondContact O-CB 3.41Å; E354-R357 PolarHBondContact O-N 3.32Å; E354-R357 VanDerWaalsContact O-N 3.08Å; E354-R357 IonicContact OE2-NH1 2.56Å; R357-L359 VanDerWaalsContact C-N 3.25Å; R357-L359 PolarHBondContact O-N 2.72Å; R357-R360 WeakPolarHBondContact O-CB 3.27Å; R357-R360 PolarHBondContact O-N 3.08Å; R357-D361 IonicContact NE-OD2 2.72Å; R357-D361 PolarHBondContact O-N 2.92Å |
| 358 | C | 94.3 | Very high | 95.5 | Very high | 33 Ų | 33 | 62 Ų | 62 | 22% | 0.223 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -56.4 | -39.8 | 179.2 | -68.6 | 0 | 0 | 0 | 0 | 112 | L342 E354 R360 D361 L362 | L342-C358 HydrophobicContact CD1-CB 3.48Å; L342-C358 VanDerWaalsContact CD1-CB 3.48Å; L342-C358 HydrophobicContact CG-CB 3.71Å; E354-C358 PolarHBondContact O-N 3.06Å; E354-C358 PolarHBondContact O-SG 2.67Å; E354-C358 VanDerWaalsContact O-SG 3.34Å; C358-R360 PolarHBondContact O-N 3.48Å; C358-D361 PolarHBondContact O-N 3.04Å; C358-L362 PolarHBondContact O-N 3.18Å |
| 359 | L | 96.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66.7 | -36.8 | 178.1 | -175.3 | 59.1 | 0 | 0 | 0 | 112.1 | L342 A355 R357 L362 F371 L398 I403 I404 | L342-L359 HydrophobicContact CD1-CB 3.98Å; A355-L359 WeakPolarHBondContact O-CB 3.48Å; A355-L359 PolarHBondContact O-N 2.77Å; R357-L359 VanDerWaalsContact C-N 3.25Å; R357-L359 PolarHBondContact O-N 2.72Å; L359-L362 HydrophobicContact CD1-CD1 4.25Å; L359-L362 PolarHBondContact O-N 3.03Å; L359-F371 HydrophobicContact CD1-CB 4.2Å; L359-F371 HydrophobicContact CD1-CD2 3.9Å; L359-F371 HydrophobicContact CD1-CE2 4.45Å; L359-F371 HydrophobicContact CD1-CG 4Å; L359-F371 HydrophobicContact CD2-CD1 4.07Å; L359-F371 HydrophobicContact CD2-CE1 4.22Å; L359-F371 HydrophobicContact CD2-CG 4.21Å; L359-L398 HydrophobicContact CD2-CD1 3.96Å; L359-L398 HydrophobicContact CD2-CD2 4.39Å; L359-I403 HydrophobicContact CD2-CG2 3.86Å; L359-I403 HydrophobicContact CG-CG2 4.22Å; L359-I404 HydrophobicContact CD2-CD1 4.05Å; L359-I404 HydrophobicContact CD2-CG1 4.02Å |
| 360 | R | 94.8 | Very high | 95.8 | Very high | 137 Ų | 137 | 53.9 Ų | 53.9 | 52% | 0.517 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -67.6 | -40.2 | 174 | -68.8 | 179.1 | -155.7 | 176.2 | 2.4 | 111.9 | E356 R357 C358 L362 E363 I403 | E356-R360 WeakPolarHBondContact O-CG 3.01Å; E356-R360 PolarHBondContact O-N 3.44Å; E356-R360 IonicContact OE1-CZ 2.73Å; E356-R360 IonicContact OE1-NH2 2.66Å; E356-R360 PolarHBondContact OE1-NH2 3.24Å; R357-R360 WeakPolarHBondContact O-CB 3.27Å; R357-R360 PolarHBondContact O-N 3.08Å; C358-R360 PolarHBondContact O-N 3.48Å; R360-L362 PolarHBondContact O-N 2.84Å; R360-E363 PolarHBondContact O-N 2.85Å; R360-I403 HydrophobicContact CG-CD1 4.15Å; R360-I403 HydrophobicContact CG-CG1 4.39Å; R360-I403 HydrophobicContact CG-CG2 4.46Å; R360-I403 VanDerWaalsContact NE-CD1 3.32Å |
| 361 | D | 93.3 | Very high | 95.9 | Very high | 90 Ų | 90 | 52 Ų | 52 | 48% | 0.481 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -67.5 | -15.7 | -178.5 | -68.7 | -8.3 | 0 | 0 | 0 | 112.3 | R357 C358 E363 | R357-D361 IonicContact NE-OD2 2.72Å; R357-D361 PolarHBondContact O-N 2.92Å; C358-D361 PolarHBondContact O-N 3.04Å; D361-E363 VanDerWaalsContact C-N 3.28Å |
| 362 | L | 94 | Very high | 96 | Very high | 7 Ų | 7 | 48.3 Ų | 48.3 | 4% | 0.037 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -21.7 | 168.4 | -67.6 | 177.9 | 0 | 0 | 0 | 113.4 | G326 G327 E338 M339 C358 L359 R360 V364 | G326-L362 WeakPolarHBondContact CA-O 3.04Å; G327-L362 PolarHBondContact N-O 3.07Å; E338-L362 HydrophobicContact CB-CD2 3.68Å; E338-L362 HydrophobicContact CG-CD2 4.21Å; M339-L362 HydrophobicContact CE-CD1 4.13Å; M339-L362 HydrophobicContact CG-CD1 3.64Å; C358-L362 PolarHBondContact O-N 3.18Å; L359-L362 HydrophobicContact CD1-CD1 4.25Å; L359-L362 PolarHBondContact O-N 3.03Å; R360-L362 PolarHBondContact O-N 2.84Å; L362-V364 VanDerWaalsContact C-N 3.26Å; L362-V364 HydrophobicContact CB-CG2 3.96Å; L362-V364 PolarHBondContact O-N 3.17Å |
| 363 | E | 94.6 | Very high | 96.1 | Very high | 39 Ų | 39 | 49.2 Ų | 49.2 | 18% | 0.182 | 23% | 0.228 | C | C | . | . | trans | 57.3 | 29.7 | 174.7 | -56.8 | 178.2 | -165.6 | 0 | 0 | 115.2 | K217 A218 S219 R360 D361 P365 | K217-E363 WeakPolarHBondContact CB-OE1 3.37Å; K217-E363 WeakPolarHBondContact CB-OE2 3.48Å; K217-E363 HydrophobicContact CD-CG 4.39Å; K217-E363 WeakPolarHBondContact CD-OE2 3.37Å; A218-E363 PolarHBondContact N-OE1 2.56Å; S219-E363 WeakPolarHBondContact CB-OE2 3.43Å; S219-E363 PolarHBondContact N-OE1 2.88Å; S219-E363 PolarHBondContact OG-OE2 3.1Å; R360-E363 PolarHBondContact O-N 2.85Å; D361-E363 VanDerWaalsContact C-N 3.28Å; E363-P365 VanDerWaalsContact C-CD 3.47Å; E363-P365 WeakPolarHBondContact O-CD 3.5Å | ||
| 364 | V | 95.5 | Very high | 96.3 | Very high | 13 Ų | 13 | 44.1 Ų | 44.1 | 8% | 0.079 | 21% | 0.206 | C | C | . | . | trans | -123.9 | 64.1 | -177.4 | -69.9 | 0 | 0 | 0 | 0 | 113 | L335 M339 L362 H366 F367 H368 | L335-V364 HydrophobicContact CD1-CG1 3.95Å; L335-V364 HydrophobicContact CD2-CG1 4.3Å; L335-V364 HydrophobicContact CD2-CG2 4.38Å; M339-V364 HydrophobicContact CE-CG2 3.95Å; L362-V364 VanDerWaalsContact C-N 3.26Å; L362-V364 HydrophobicContact CB-CG2 3.96Å; L362-V364 PolarHBondContact O-N 3.17Å; V364-H366 VanDerWaalsContact C-N 3.25Å; V364-H366 PolarHBondContact O-N 3.14Å; V364-H366 VanDerWaalsContact O-N 3.13Å; V364-F367 HydrophobicContact CB-CB 4.02Å; V364-F367 HydrophobicContact CG2-CB 4.18Å; V364-F367 HydrophobicContact CG2-CD1 4.43Å; V364-F367 PolarHBondContact O-N 2.97Å; V364-H368 PolarHBondContact O-CD2 2.93Å | ||
| 365 | P | 95.3 | Very high | 96.4 | Very high | 70 Ų | 70 | 41.1 Ų | 41.1 | 46% | 0.455 | 19% | 0.192 | S | C | . | . | G | 310 helix | trans | -61.3 | -28.9 | -172.1 | 25.3 | -35.5 | 0 | 0 | 0 | 114.5 | E363 F367 Q408 | E363-P365 VanDerWaalsContact C-CD 3.47Å; E363-P365 WeakPolarHBondContact O-CD 3.5Å; P365-F367 VanDerWaalsContact C-N 3.25Å; P365-F367 PolarHBondContact O-N 3.29Å; P365-Q408 WeakPolarHBondContact O-CG 3.34Å; P365-Q408 PolarHBondContact O-OE1 3.45Å |
| 366 | H | 95.7 | Very high | 96.5 | Very high | 155 Ų | 155 | 40.9 Ų | 40.9 | 72% | 0.718 | 19% | 0.19 | S | C | * | . | G | 310 helix | trans | -82.1 | -2.7 | 177.5 | -63 | -54.7 | 0 | 0 | 0 | 114.1 | V364 H369 Q408 | V364-H366 VanDerWaalsContact C-N 3.25Å; V364-H366 PolarHBondContact O-N 3.14Å; V364-H366 VanDerWaalsContact O-N 3.13Å; H366-H369 PolarHBondContact O-CD2 3.13Å; H366-H369 VanDerWaalsContact O-CD2 3.3Å; H366-Q408 PolarHBondContact O-OE1 2.88Å; H366-Q408 VanDerWaalsContact O-OE1 3.12Å |
| 367 | F | 97.3 | Very high | 96.5 | Very high | 37 Ų | 37 | 41.1 Ų | 41.1 | 16% | 0.162 | 19% | 0.192 | C | C | . | . | G | 310 helix | trans | -111.9 | 7.3 | 176.2 | -164.1 | -124.6 | 0 | 0 | 0 | 112 | V332 L335 I336 M339 V364 P365 H369 E370 | V332-F367 HydrophobicContact CG1-CE1 4.16Å; V332-F367 HydrophobicContact CG1-CE2 4.2Å; V332-F367 HydrophobicContact CG1-CZ 3.56Å; L335-F367 HydrophobicContact CB-CD1 4.29Å; L335-F367 HydrophobicContact CB-CE1 4.04Å; L335-F367 HydrophobicContact CD1-CD1 4.28Å; I336-F367 HydrophobicContact CD1-CZ 4.42Å; I336-F367 HydrophobicContact CG1-CE1 4.15Å; I336-F367 HydrophobicContact CG1-CZ 4.03Å; M339-F367 HydrophobicContact CE-CD1 3.66Å; M339-F367 HydrophobicContact CE-CE1 4.23Å; M339-F367 HydrophobicContact CE-CG 4.5Å; M339-F367 HydrophobicContact SD-CD1 4.33Å; M339-F367 HydrophobicContact SD-CE1 4.33Å; V364-F367 HydrophobicContact CB-CB 4.02Å; V364-F367 HydrophobicContact CG2-CB 4.18Å; V364-F367 HydrophobicContact CG2-CD1 4.43Å; V364-F367 PolarHBondContact O-N 2.97Å; P365-F367 VanDerWaalsContact C-N 3.25Å; P365-F367 PolarHBondContact O-N 3.29Å; F367-H369 AromaticContact CD2-CE1 3.99Å; F367-H369 AromaticContact CD2-NE2 3.94Å; F367-H369 PolarHBondContact O-N 2.92Å; F367-E370 HydrophobicContact CD1-CB 4.01Å; F367-E370 HydrophobicContact CD2-CB 4.1Å; F367-E370 HydrophobicContact CE1-CB 3.66Å; F367-E370 HydrophobicContact CE1-CG 3.69Å; F367-E370 HydrophobicContact CE2-CB 3.76Å; F367-E370 HydrophobicContact CE2-CG 4.12Å; F367-E370 HydrophobicContact CG-CB 4.21Å; F367-E370 HydrophobicContact CZ-CB 3.51Å; F367-E370 HydrophobicContact CZ-CG 3.45Å; F367-E370 VanDerWaalsContact CZ-CG 3.45Å; F367-E370 VanDerWaalsContact O-CB 3.23Å; F367-E370 WeakPolarHBondContact O-CB 3.39Å; F367-E370 PolarHBondContact O-N 2.87Å |
| 368 | H | 97.9 | Very high | 96.6 | Very high | 10 Ų | 10 | 35.7 Ų | 35.7 | 5% | 0.046 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.6 | -20.9 | 177.2 | -71.7 | -179.3 | 0 | 0 | 0 | 113.1 | V364 E370 F371 V372 I403 I404 Q408 | V364-H368 PolarHBondContact O-CD2 2.93Å; H368-E370 PolarHBondContact O-N 3.34Å; H368-F371 WeakPolarHBondContact O-CB 3.3Å; H368-F371 PolarHBondContact O-N 3Å; H368-F371 VanDerWaalsContact O-N 3.13Å; H368-V372 PolarHBondContact O-N 3.24Å; H368-V372 VanDerWaalsContact O-N 3.14Å; H368-I403 PolarHBondContact CE1-O 3.08Å; H368-I403 PolarHBondContact ND1-O 3.13Å; H368-I404 HydrophobicContact CB-CG1 4.32Å; H368-Q408 HydrophobicContact CB-CB 4.04Å; H368-Q408 HydrophobicContact CB-CG 4.23Å; H368-Q408 VanDerWaalsContact N-OE1 3.13Å |
| 369 | H | 98.2 | Very high | 96.7 | Very high | 35 Ų | 35 | 34.2 Ų | 34.2 | 16% | 0.162 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.1 | -24.3 | 170.6 | 68.5 | 76.6 | 0 | 0 | 0 | 113 | H366 F367 Y373 Q408 R411 G412 R415 | H366-H369 PolarHBondContact O-CD2 3.13Å; H366-H369 VanDerWaalsContact O-CD2 3.3Å; F367-H369 AromaticContact CD2-CE1 3.99Å; F367-H369 AromaticContact CD2-NE2 3.94Å; F367-H369 PolarHBondContact O-N 2.92Å; H369-Y373 VanDerWaalsContact O-CB 3.3Å; H369-Y373 WeakPolarHBondContact O-CB 3.15Å; H369-Y373 PolarHBondContact O-N 3.38Å; H369-Q408 WeakPolarHBondContact CA-O 3.42Å; H369-Q408 WeakPolarHBondContact CB-O 3.43Å; H369-Q408 PolarHBondContact CD2-OE1 2.99Å; H369-Q408 VanDerWaalsContact CD2-OE1 3.25Å; H369-R411 HydrophobicContact CB-CB 3.75Å; H369-G412 WeakPolarHBondContact O-CA 3.39Å; H369-R415 PolarHBondContact ND1-NH1 3.46Å; H369-R415 PolarHBondContact O-NH1 3.33Å |
| 370 | E | 98.2 | Very high | 96.7 | Very high | 13 Ų | 13 | 34.3 Ų | 34.3 | 6% | 0.061 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -67.9 | -46.9 | 171.4 | -170 | 66.7 | -157.2 | 0 | 0 | 111.1 | I336 M339 F367 H368 V372 Y373 E374 R415 | I336-E370 HydrophobicContact CG1-CG 3.88Å; M339-E370 HydrophobicContact SD-CB 3.83Å; M339-E370 HydrophobicContact SD-CG 3.98Å; F367-E370 HydrophobicContact CD1-CB 4.01Å; F367-E370 HydrophobicContact CD2-CB 4.1Å; F367-E370 HydrophobicContact CE1-CB 3.66Å; F367-E370 HydrophobicContact CE1-CG 3.69Å; F367-E370 HydrophobicContact CE2-CB 3.76Å; F367-E370 HydrophobicContact CE2-CG 4.12Å; F367-E370 HydrophobicContact CG-CB 4.21Å; F367-E370 HydrophobicContact CZ-CB 3.51Å; F367-E370 HydrophobicContact CZ-CG 3.45Å; F367-E370 VanDerWaalsContact CZ-CG 3.45Å; F367-E370 VanDerWaalsContact O-CB 3.23Å; F367-E370 WeakPolarHBondContact O-CB 3.39Å; F367-E370 PolarHBondContact O-N 2.87Å; H368-E370 PolarHBondContact O-N 3.34Å; E370-V372 VanDerWaalsContact C-N 3.28Å; E370-V372 PolarHBondContact O-N 3.12Å; E370-Y373 WeakPolarHBondContact O-CB 3.34Å; E370-Y373 PolarHBondContact O-N 3.23Å; E370-E374 HydrophobicContact CG-CG 4.32Å; E370-E374 WeakPolarHBondContact O-CB 3.41Å; E370-E374 WeakPolarHBondContact O-CG 3.3Å; E370-E374 PolarHBondContact O-N 3.04Å; E370-R415 IonicContact OE1-NH2 3.92Å; E370-R415 IonicContact OE2-CZ 3.05Å; E370-R415 IonicContact OE2-NH1 3.12Å; E370-R415 PolarHBondContact OE2-NH1 3.47Å; E370-R415 IonicContact OE2-NH2 3.07Å; E370-R415 PolarHBondContact OE2-NH2 3.13Å |
| 371 | F | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -56.9 | -44 | 176.5 | -178 | -92.3 | 0 | 0 | 0 | 111.8 | M339 L342 L343 L359 H368 A375 L394 L395 L398 I404 | M339-F371 HydrophobicContact CB-CD2 4.13Å; M339-F371 HydrophobicContact CE-CB 4.42Å; M339-F371 HydrophobicContact CG-CB 4.44Å; M339-F371 HydrophobicContact CG-CD2 4.17Å; M339-F371 HydrophobicContact SD-CB 3.86Å; L342-F371 HydrophobicContact CD1-CE2 4.04Å; L342-F371 HydrophobicContact CD2-CE2 3.76Å; L342-F371 HydrophobicContact CD2-CZ 4.05Å; L342-F371 HydrophobicContact CG-CE2 4.38Å; L343-F371 HydrophobicContact CD1-CD2 4.47Å; L343-F371 HydrophobicContact CD1-CE2 4.3Å; L343-F371 HydrophobicContact CD2-CD2 4.47Å; L343-F371 HydrophobicContact CD2-CE1 4.05Å; L343-F371 HydrophobicContact CD2-CE2 3.63Å; L343-F371 HydrophobicContact CD2-CZ 3.39Å; L343-F371 HydrophobicContact CG-CD2 4.26Å; L343-F371 HydrophobicContact CG-CE2 3.63Å; L343-F371 HydrophobicContact CG-CZ 3.96Å; L359-F371 HydrophobicContact CD1-CB 4.2Å; L359-F371 HydrophobicContact CD1-CD2 3.9Å; L359-F371 HydrophobicContact CD1-CE2 4.45Å; L359-F371 HydrophobicContact CD1-CG 4Å; L359-F371 HydrophobicContact CD2-CD1 4.07Å; L359-F371 HydrophobicContact CD2-CE1 4.22Å; L359-F371 HydrophobicContact CD2-CG 4.21Å; H368-F371 WeakPolarHBondContact O-CB 3.3Å; H368-F371 PolarHBondContact O-N 3Å; H368-F371 VanDerWaalsContact O-N 3.13Å; F371-A375 WeakPolarHBondContact O-CB 3.31Å; F371-A375 PolarHBondContact O-N 3.04Å; F371-L394 HydrophobicContact CE1-CD2 4.24Å; F371-L394 HydrophobicContact CZ-CD2 3.88Å; F371-L395 HydrophobicContact CE1-CD2 4.42Å; F371-L398 HydrophobicContact CD1-CD1 4.32Å; F371-L398 HydrophobicContact CE1-CD1 3.53Å; F371-L398 HydrophobicContact CZ-CD1 4.16Å; F371-I404 HydrophobicContact CD1-CD1 3.85Å; F371-I404 HydrophobicContact CE1-CD1 4.3Å |
| 372 | V | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -65.2 | -44.8 | 177.4 | 177.7 | 0 | 0 | 0 | 0 | 111.2 | H368 E370 A375 I376 L395 I404 M409 Y413 | H368-V372 PolarHBondContact O-N 3.24Å; H368-V372 VanDerWaalsContact O-N 3.14Å; E370-V372 VanDerWaalsContact C-N 3.28Å; E370-V372 PolarHBondContact O-N 3.12Å; V372-A375 PolarHBondContact O-N 3.15Å; V372-I376 HydrophobicContact CG1-CD1 3.88Å; V372-I376 VanDerWaalsContact O-CG1 3.29Å; V372-I376 WeakPolarHBondContact O-CG1 3.49Å; V372-I376 PolarHBondContact O-N 3.35Å; V372-L395 HydrophobicContact CG2-CD2 4.21Å; V372-I404 HydrophobicContact CG2-CD1 3.84Å; V372-I404 HydrophobicContact CG2-CG2 4Å; V372-M409 HydrophobicContact CG1-SD 3.88Å; V372-M409 HydrophobicContact CG2-SD 3.84Å; V372-Y413 HydrophobicContact CG1-CD2 3.9Å; V372-Y413 HydrophobicContact CG1-CE2 3.98Å |
| 373 | Y | 98.6 | Very high | 96.3 | Very high | 38 Ų | 38 | 42.5 Ų | 42.5 | 15% | 0.149 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -57.1 | -54.5 | 176.3 | 171.5 | -92.6 | 0 | 0 | 0 | 111 | H369 E370 A375 I376 V377 R415 V416 D419 | H369-Y373 VanDerWaalsContact O-CB 3.3Å; H369-Y373 WeakPolarHBondContact O-CB 3.15Å; H369-Y373 PolarHBondContact O-N 3.38Å; E370-Y373 WeakPolarHBondContact O-CB 3.34Å; E370-Y373 PolarHBondContact O-N 3.23Å; Y373-A375 VanDerWaalsContact C-N 3.3Å; Y373-A375 PolarHBondContact O-N 3.18Å; Y373-I376 PolarHBondContact O-N 2.92Å; Y373-I376 VanDerWaalsContact O-N 3.14Å; Y373-V377 HydrophobicContact CD1-CG2 4.28Å; Y373-V377 HydrophobicContact CD2-CG2 4.43Å; Y373-V377 HydrophobicContact CE1-CG2 3.87Å; Y373-V377 HydrophobicContact CE2-CG2 4.06Å; Y373-V377 WeakPolarHBondContact O-CG2 3.3Å; Y373-V377 PolarHBondContact O-N 2.97Å; Y373-R415 HydrophobicContact CD2-CB 3.78Å; Y373-R415 HydrophobicContact CE2-CB 4.38Å; Y373-V416 HydrophobicContact CD2-CG2 3.57Å; Y373-V416 HydrophobicContact CE2-CG2 4.1Å; Y373-V416 HydrophobicContact CG-CG2 4.36Å; Y373-D419 HydrophobicContact CE2-CB 4.42Å; Y373-D419 WeakPolarHBondContact CE2-OD2 3.01Å |
| 374 | E | 98.3 | Very high | 95.6 | Very high | 31 Ų | 31 | 43.1 Ų | 43.1 | 15% | 0.145 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.5 | -36.6 | -179.3 | -67.7 | -74.9 | -144.9 | 0 | 0 | 112.3 | I336 N340 L343 E370 M378 | I336-E374 VanDerWaalsContact CG2-OE1 3.3Å; I336-E374 WeakPolarHBondContact CG2-OE1 3.45Å; N340-E374 PolarHBondContact ND2-OE1 2.85Å; L343-E374 HydrophobicContact CD1-CB 3.92Å; E370-E374 HydrophobicContact CG-CG 4.32Å; E370-E374 WeakPolarHBondContact O-CB 3.41Å; E370-E374 WeakPolarHBondContact O-CG 3.3Å; E370-E374 PolarHBondContact O-N 3.04Å; E374-M378 VanDerWaalsContact O-CB 3.27Å; E374-M378 WeakPolarHBondContact O-CB 3.33Å; E374-M378 PolarHBondContact O-N 3Å |
| 375 | A | 98.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.3 | -41.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | L343 F371 V372 Y373 V379 V391 L395 | L343-A375 HydrophobicContact CD1-CB 3.98Å; L343-A375 HydrophobicContact CD2-CB 3.76Å; F371-A375 WeakPolarHBondContact O-CB 3.31Å; F371-A375 PolarHBondContact O-N 3.04Å; V372-A375 PolarHBondContact O-N 3.15Å; Y373-A375 VanDerWaalsContact C-N 3.3Å; Y373-A375 PolarHBondContact O-N 3.18Å; A375-V379 WeakPolarHBondContact O-CG2 3.5Å; A375-V379 PolarHBondContact O-N 3.33Å; A375-V391 HydrophobicContact CB-CG1 3.8Å; A375-L395 HydrophobicContact CB-CD2 4.47Å |
| 376 | I | 97.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -70.8 | -45.1 | 177.9 | -64 | 166.8 | 0 | 0 | 0 | 110.2 | V372 Y373 M378 V379 L380 L395 Y413 V416 L434 F437 | V372-I376 HydrophobicContact CG1-CD1 3.88Å; V372-I376 VanDerWaalsContact O-CG1 3.29Å; V372-I376 WeakPolarHBondContact O-CG1 3.49Å; V372-I376 PolarHBondContact O-N 3.35Å; Y373-I376 PolarHBondContact O-N 2.92Å; Y373-I376 VanDerWaalsContact O-N 3.14Å; I376-M378 VanDerWaalsContact C-N 3.27Å; I376-M378 PolarHBondContact O-N 3.4Å; I376-V379 WeakPolarHBondContact O-CA 3.16Å; I376-V379 WeakPolarHBondContact O-CB 3.42Å; I376-V379 PolarHBondContact O-N 3.16Å; I376-L380 HydrophobicContact CG2-CD1 4.39Å; I376-L380 HydrophobicContact CG2-CG 4.38Å; I376-L380 WeakPolarHBondContact O-CG 3.19Å; I376-L380 PolarHBondContact O-N 3.48Å; I376-L395 HydrophobicContact CG1-CD1 4.48Å; I376-Y413 HydrophobicContact CD1-CD1 3.86Å; I376-Y413 HydrophobicContact CD1-CD2 3.82Å; I376-Y413 HydrophobicContact CD1-CE1 3.89Å; I376-Y413 HydrophobicContact CD1-CE2 3.85Å; I376-Y413 HydrophobicContact CD1-CG 3.84Å; I376-V416 HydrophobicContact CB-CG2 3.93Å; I376-V416 HydrophobicContact CD1-CG2 4.11Å; I376-V416 HydrophobicContact CG2-CB 4.39Å; I376-V416 HydrophobicContact CG2-CG1 3.86Å; I376-V416 HydrophobicContact CG2-CG2 3.92Å; I376-L434 HydrophobicContact CG2-CD1 4.13Å; I376-F437 HydrophobicContact CD1-CE1 4.4Å; I376-F437 HydrophobicContact CG1-CD1 4.36Å; I376-F437 HydrophobicContact CG1-CE1 3.79Å; I376-F437 HydrophobicContact CG1-CZ 4.46Å |
| 377 | V | 97.3 | Very high | 95.3 | Very high | 11 Ų | 11 | 44.8 Ų | 44.8 | 7% | 0.067 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -56.1 | -44.4 | 175.5 | 172.6 | 0 | 0 | 0 | 0 | 110.5 | Y373 V379 L380 E381 I423 | Y373-V377 HydrophobicContact CD1-CG2 4.28Å; Y373-V377 HydrophobicContact CD2-CG2 4.43Å; Y373-V377 HydrophobicContact CE1-CG2 3.87Å; Y373-V377 HydrophobicContact CE2-CG2 4.06Å; Y373-V377 WeakPolarHBondContact O-CG2 3.3Å; Y373-V377 PolarHBondContact O-N 2.97Å; V377-V379 VanDerWaalsContact C-N 3.26Å; V377-V379 PolarHBondContact O-N 3.09Å; V377-L380 PolarHBondContact O-N 3.1Å; V377-E381 HydrophobicContact CG1-CG 4.32Å; V377-E381 WeakPolarHBondContact O-CG 3.23Å; V377-E381 PolarHBondContact O-N 2.88Å; V377-I423 HydrophobicContact CG2-CD1 4.05Å |
| 378 | M | 96.5 | Very high | 95.3 | Very high | 31 Ų | 31 | 43.9 Ų | 43.9 | 15% | 0.153 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -56.6 | -37.8 | 173.8 | -178.4 | -178.4 | -62.7 | 0 | 0 | 112.7 | L343 K344 I347 E374 I376 S382 T387 | L343-M378 HydrophobicContact CB-CE 3.42Å; L343-M378 VanDerWaalsContact CB-CE 3.42Å; L343-M378 HydrophobicContact CB-SD 4.18Å; L343-M378 HydrophobicContact CD1-CE 4.18Å; L343-M378 HydrophobicContact CG-CE 4.4Å; K344-M378 HydrophobicContact CG-CE 4.11Å; I347-M378 HydrophobicContact CG1-SD 3.9Å; E374-M378 VanDerWaalsContact O-CB 3.27Å; E374-M378 WeakPolarHBondContact O-CB 3.33Å; E374-M378 PolarHBondContact O-N 3Å; I376-M378 VanDerWaalsContact C-N 3.27Å; I376-M378 PolarHBondContact O-N 3.4Å; M378-S382 VanDerWaalsContact O-CB 3.22Å; M378-S382 WeakPolarHBondContact O-CB 3.49Å; M378-S382 PolarHBondContact O-N 2.84Å; M378-S382 VanDerWaalsContact O-N 3.11Å; M378-T387 HydrophobicContact CG-CG2 4.07Å; M378-T387 HydrophobicContact SD-CG2 4.4Å |
| 379 | V | 97.2 | Very high | 95.2 | Very high | 2 Ų | 2 | 48.9 Ų | 48.9 | 1% | 0.012 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -67.6 | -44.2 | 174.6 | 173.6 | 0 | 0 | 0 | 0 | 111.2 | A375 I376 V377 E381 S382 T387 F388 V391 I433 F437 | A375-V379 WeakPolarHBondContact O-CG2 3.5Å; A375-V379 PolarHBondContact O-N 3.33Å; I376-V379 WeakPolarHBondContact O-CA 3.16Å; I376-V379 WeakPolarHBondContact O-CB 3.42Å; I376-V379 PolarHBondContact O-N 3.16Å; V377-V379 VanDerWaalsContact C-N 3.26Å; V377-V379 PolarHBondContact O-N 3.09Å; V379-E381 VanDerWaalsContact C-N 3.33Å; V379-E381 PolarHBondContact O-N 3.08Å; V379-S382 PolarHBondContact O-N 2.99Å; V379-S382 PolarHBondContact O-OG 3.04Å; V379-T387 HydrophobicContact CG2-CG2 4.37Å; V379-F388 HydrophobicContact CG1-CB 4.05Å; V379-F388 HydrophobicContact CG1-CD2 3.58Å; V379-F388 HydrophobicContact CG1-CE2 4.38Å; V379-F388 HydrophobicContact CG1-CG 4.1Å; V379-V391 HydrophobicContact CG2-CB 3.55Å; V379-V391 HydrophobicContact CG2-CG1 3.77Å; V379-V391 HydrophobicContact CG2-CG2 3.68Å; V379-I433 HydrophobicContact CG1-CG2 4.26Å; V379-F437 HydrophobicContact CB-CE2 4.49Å; V379-F437 HydrophobicContact CG1-CD2 3.87Å; V379-F437 HydrophobicContact CG1-CE2 4.22Å; V379-F437 HydrophobicContact CG2-CD2 4.45Å; V379-F437 HydrophobicContact CG2-CE2 3.98Å |
| 380 | L | 96.2 | Very high | 95.1 | Very high | 2 Ų | 2 | 48.5 Ų | 48.5 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.4 | -40.2 | -179.3 | -61.4 | -179.3 | 0 | 0 | 0 | 111.9 | I376 V377 V416 I420 I423 V427 I433 L434 | I376-L380 HydrophobicContact CG2-CD1 4.39Å; I376-L380 HydrophobicContact CG2-CG 4.38Å; I376-L380 WeakPolarHBondContact O-CG 3.19Å; I376-L380 PolarHBondContact O-N 3.48Å; V377-L380 PolarHBondContact O-N 3.1Å; L380-V416 HydrophobicContact CD1-CG1 4.09Å; L380-I420 HydrophobicContact CD1-CD1 4.23Å; L380-I423 HydrophobicContact CD1-CD1 4.4Å; L380-I423 HydrophobicContact CD1-CG2 4.04Å; L380-V427 WeakPolarHBondContact O-CG1 3.45Å; L380-I433 HydrophobicContact CD2-CB 3.89Å; L380-I433 HydrophobicContact CD2-CG2 3.81Å; L380-L434 HydrophobicContact CD2-CB 3.93Å |
| 381 | E | 94.9 | Very high | 95.1 | Very high | 123 Ų | 123 | 47.9 Ų | 47.9 | 58% | 0.575 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -78.1 | -19.8 | 178.3 | -65.9 | -179.7 | 167.6 | 0 | 0 | 113.5 | V377 V379 V427 | V377-E381 HydrophobicContact CG1-CG 4.32Å; V377-E381 WeakPolarHBondContact O-CG 3.23Å; V377-E381 PolarHBondContact O-N 2.88Å; V379-E381 VanDerWaalsContact C-N 3.33Å; V379-E381 PolarHBondContact O-N 3.08Å; E381-V427 HydrophobicContact CG-CG2 4Å |
| 382 | S | 93.4 | Very high | 95 | Very high | 29 Ų | 29 | 48.3 Ų | 48.3 | 20% | 0.203 | 23% | 0.23 | C | C | . | . | trans | -70.9 | 146.7 | -174.8 | 72.1 | 0 | 0 | 0 | 0 | 113.5 | M378 V379 | M378-S382 VanDerWaalsContact O-CB 3.22Å; M378-S382 WeakPolarHBondContact O-CB 3.49Å; M378-S382 PolarHBondContact O-N 2.84Å; M378-S382 VanDerWaalsContact O-N 3.11Å; V379-S382 PolarHBondContact O-N 2.99Å; V379-S382 PolarHBondContact O-OG 3.04Å | ||
| 383 | R | 84 | Confident | 95 | Very high | 254 Ų | 254 | 54.2 Ų | 54.2 | 96% | 0.958 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -97.7 | 96.5 | 171.7 | -63.5 | -178.2 | -176.5 | -106.6 | -1 | 109.6 | ||
| 384 | G | 79.6 | Confident | 94.9 | Very high | 52 Ų | 52 | 52.5 Ų | 52.5 | 54% | 0.536 | 25% | 0.251 | S | S | . | . | S | Bend | trans | 120.6 | 170.6 | 168.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | K386 | G384-K386 VanDerWaalsContact C-N 3.34Å; G384-K386 PolarHBondContact O-N 3.37Å |
| 385 | E | 91.8 | Very high | 94.9 | Very high | 118 Ų | 118 | 51 Ų | 51 | 55% | 0.551 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -77.6 | -13.1 | -171.8 | -64.4 | -165.2 | 162.9 | 0 | 0 | 114.9 | F388 K389 | E385-F388 WeakPolarHBondContact O-CB 3.44Å; E385-K389 WeakPolarHBondContact O-CG 3.44Å; E385-K389 PolarHBondContact O-N 3.13Å; E385-K389 VanDerWaalsContact OE2-CE 3.3Å; E385-K389 WeakPolarHBondContact OE2-CE 3.48Å; E385-K389 IonicContact OE2-NZ 2.91Å; E385-K389 PolarHBondContact OE2-NZ 3.49Å |
| 386 | K | 94.3 | Very high | 94.9 | Very high | 133 Ų | 133 | 54.6 Ų | 54.6 | 58% | 0.578 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -62.1 | -57.6 | -176 | -176.2 | -171.1 | 173.9 | -163.4 | 0 | 110.5 | I347 G384 F388 K389 M390 | I347-K386 PolarHBondContact O-NZ 3.39Å; G384-K386 VanDerWaalsContact C-N 3.34Å; G384-K386 PolarHBondContact O-N 3.37Å; K386-F388 VanDerWaalsContact C-N 3.28Å; K386-F388 PolarHBondContact O-N 2.91Å; K386-K389 PolarHBondContact O-N 2.93Å; K386-M390 HydrophobicContact CD-SD 4.26Å; K386-M390 WeakPolarHBondContact CE-SD 3.35Å; K386-M390 HydrophobicContact CG-CG 4.42Å; K386-M390 HydrophobicContact CG-SD 3.88Å; K386-M390 WeakPolarHBondContact O-CG 3.46Å; K386-M390 PolarHBondContact O-N 3.17Å |
| 387 | T | 95.4 | Very high | 94.8 | Very high | 22 Ų | 22 | 56.4 Ų | 56.4 | 14% | 0.135 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -58.2 | -44.2 | 179.9 | -52.1 | 0 | 0 | 0 | 0 | 110.8 | I347 M378 V379 K389 M390 V391 | I347-T387 HydrophobicContact CD1-CG2 4.03Å; I347-T387 HydrophobicContact CG1-CG2 4.42Å; M378-T387 HydrophobicContact CG-CG2 4.07Å; M378-T387 HydrophobicContact SD-CG2 4.4Å; V379-T387 HydrophobicContact CG2-CG2 4.37Å; T387-K389 PolarHBondContact O-N 3Å; T387-M390 PolarHBondContact O-N 3.43Å; T387-V391 HydrophobicContact CG2-CG2 4.12Å; T387-V391 WeakPolarHBondContact O-CB 3.42Å; T387-V391 WeakPolarHBondContact O-CG2 3.37Å; T387-V391 PolarHBondContact O-N 3.16Å |
| 388 | F | 96.1 | Very high | 94.8 | Very high | 17 Ų | 17 | 55.9 Ų | 55.9 | 8% | 0.075 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -51.4 | -53.7 | 174.6 | -172.6 | -69.1 | 0 | 0 | 0 | 112.3 | V379 E385 K386 L392 I433 Q436 F437 K440 | V379-F388 HydrophobicContact CG1-CB 4.05Å; V379-F388 HydrophobicContact CG1-CD2 3.58Å; V379-F388 HydrophobicContact CG1-CE2 4.38Å; V379-F388 HydrophobicContact CG1-CG 4.1Å; E385-F388 WeakPolarHBondContact O-CB 3.44Å; K386-F388 VanDerWaalsContact C-N 3.28Å; K386-F388 PolarHBondContact O-N 2.91Å; F388-L392 HydrophobicContact CE1-CD2 4.1Å; F388-L392 VanDerWaalsContact O-CB 3.24Å; F388-L392 WeakPolarHBondContact O-CB 3.35Å; F388-L392 PolarHBondContact O-N 2.93Å; F388-L392 VanDerWaalsContact O-N 3.16Å; F388-I433 HydrophobicContact CD2-CG2 4.39Å; F388-I433 HydrophobicContact CE2-CG2 4.48Å; F388-Q436 HydrophobicContact CE2-CB 4.34Å; F388-Q436 HydrophobicContact CZ-CB 4.41Å; F388-F437 HydrophobicContact CD1-CD2 4.38Å; F388-F437 AromaticContact CD2-CD2 3.96Å; F388-F437 HydrophobicContact CD2-CD2 3.96Å; F388-F437 HydrophobicContact CE1-CD2 4.05Å; F388-F437 HydrophobicContact CE2-CB 3.75Å; F388-F437 AromaticContact CE2-CD2 3.67Å; F388-F437 HydrophobicContact CE2-CD2 3.67Å; F388-F437 HydrophobicContact CE2-CG 4.22Å; F388-F437 HydrophobicContact CG-CD2 4.31Å; F388-F437 VanDerWaalsContact CZ-CA 3.46Å; F388-F437 HydrophobicContact CZ-CB 3.96Å; F388-F437 AromaticContact CZ-CD2 3.71Å; F388-F437 HydrophobicContact CZ-CD2 3.71Å; F388-F437 HydrophobicContact CZ-CG 4.29Å; F388-K440 HydrophobicContact CE1-CB 4.38Å; F388-K440 HydrophobicContact CE1-CD 3.37Å; F388-K440 HydrophobicContact CE1-CG 4.48Å; F388-K440 HydrophobicContact CZ-CB 4.48Å; F388-K440 HydrophobicContact CZ-CD 3.61Å |
| 389 | K | 96.3 | Very high | 94.8 | Very high | 116 Ų | 116 | 55.9 Ų | 55.9 | 50% | 0.504 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -67.4 | -41.5 | -177.6 | -72.1 | 173.3 | -173.1 | 163.2 | 0 | 111.8 | E385 K386 T387 Q393 | E385-K389 WeakPolarHBondContact O-CG 3.44Å; E385-K389 PolarHBondContact O-N 3.13Å; E385-K389 VanDerWaalsContact OE2-CE 3.3Å; E385-K389 WeakPolarHBondContact OE2-CE 3.48Å; E385-K389 IonicContact OE2-NZ 2.91Å; E385-K389 PolarHBondContact OE2-NZ 3.49Å; K386-K389 PolarHBondContact O-N 2.93Å; T387-K389 PolarHBondContact O-N 3Å; K389-Q393 WeakPolarHBondContact O-CB 3.27Å; K389-Q393 PolarHBondContact O-N 3.23Å |
| 390 | M | 97.3 | Very high | 94.6 | Very high | 27 Ų | 27 | 62 Ų | 62 | 13% | 0.133 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65.2 | -51.2 | -179.3 | -70.7 | -175.3 | 74.3 | 0 | 0 | 111.8 | Y346 I347 K386 T387 L392 Q393 L394 | Y346-M390 HydrophobicContact CE1-CB 3.91Å; Y346-M390 HydrophobicContact CE1-CE 4.25Å; Y346-M390 WeakPolarHBondContact CE1-O 3.16Å; Y346-M390 VanDerWaalsContact O-CE 3.24Å; Y346-M390 WeakPolarHBondContact O-CE 3.4Å; Y346-M390 PolarHBondContact OH-O 2.7Å; Y346-M390 VanDerWaalsContact OH-O 3.12Å; I347-M390 HydrophobicContact CD1-CB 3.76Å; I347-M390 HydrophobicContact CD1-CE 4.44Å; I347-M390 HydrophobicContact CD1-SD 4.24Å; K386-M390 HydrophobicContact CD-SD 4.26Å; K386-M390 WeakPolarHBondContact CE-SD 3.35Å; K386-M390 HydrophobicContact CG-CG 4.42Å; K386-M390 HydrophobicContact CG-SD 3.88Å; K386-M390 WeakPolarHBondContact O-CG 3.46Å; K386-M390 PolarHBondContact O-N 3.17Å; T387-M390 PolarHBondContact O-N 3.43Å; M390-L392 VanDerWaalsContact C-N 3.3Å; M390-L392 PolarHBondContact O-N 3.28Å; M390-Q393 WeakPolarHBondContact O-CB 3.42Å; M390-Q393 PolarHBondContact O-N 3.22Å; M390-L394 PolarHBondContact O-N 3.41Å |
| 391 | V | 97.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60.5 | -43.1 | 178.9 | 171.7 | 0 | 0 | 0 | 0 | 110.9 | I347 A375 V379 T387 Q393 L394 L395 F437 | I347-V391 HydrophobicContact CD1-CG2 3.98Å; A375-V391 HydrophobicContact CB-CG1 3.8Å; V379-V391 HydrophobicContact CG2-CB 3.55Å; V379-V391 HydrophobicContact CG2-CG1 3.77Å; V379-V391 HydrophobicContact CG2-CG2 3.68Å; T387-V391 HydrophobicContact CG2-CG2 4.12Å; T387-V391 WeakPolarHBondContact O-CB 3.42Å; T387-V391 WeakPolarHBondContact O-CG2 3.37Å; T387-V391 PolarHBondContact O-N 3.16Å; V391-Q393 VanDerWaalsContact C-N 3.31Å; V391-Q393 PolarHBondContact O-N 3.44Å; V391-L394 WeakPolarHBondContact O-CB 3.31Å; V391-L394 PolarHBondContact O-N 2.93Å; V391-L394 VanDerWaalsContact O-N 3.15Å; V391-L395 HydrophobicContact CG1-CD1 4.12Å; V391-L395 HydrophobicContact CG1-CG 4.21Å; V391-L395 WeakPolarHBondContact O-CG 3.47Å; V391-L395 PolarHBondContact O-N 3.46Å; V391-F437 HydrophobicContact CG1-CE2 4.44Å; V391-F437 HydrophobicContact CG1-CZ 4.09Å |
| 392 | L | 97.1 | Very high | 94.5 | Very high | 8 Ų | 8 | 62.7 Ų | 62.7 | 4% | 0.042 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61.2 | -40.6 | 177.7 | -177.1 | 59.3 | 0 | 0 | 0 | 112.3 | F388 M390 K396 F437 K440 S441 M444 V446 | F388-L392 HydrophobicContact CE1-CD2 4.1Å; F388-L392 VanDerWaalsContact O-CB 3.24Å; F388-L392 WeakPolarHBondContact O-CB 3.35Å; F388-L392 PolarHBondContact O-N 2.93Å; F388-L392 VanDerWaalsContact O-N 3.16Å; M390-L392 VanDerWaalsContact C-N 3.3Å; M390-L392 PolarHBondContact O-N 3.28Å; L392-K396 WeakPolarHBondContact O-CB 3.35Å; L392-K396 PolarHBondContact O-N 2.89Å; L392-K396 VanDerWaalsContact O-N 3.09Å; L392-F437 HydrophobicContact CB-CE2 3.98Å; L392-F437 HydrophobicContact CB-CZ 4.38Å; L392-F437 HydrophobicContact CD1-CE2 4.37Å; L392-F437 HydrophobicContact CD1-CZ 4.27Å; L392-K440 HydrophobicContact CD2-CB 3.73Å; L392-S441 WeakPolarHBondContact CD1-OG 3.26Å; L392-M444 HydrophobicContact CD1-SD 4.23Å; L392-M444 HydrophobicContact CD2-CE 4.45Å; L392-M444 HydrophobicContact CD2-SD 3.36Å; L392-M444 WeakPolarHBondContact CD2-SD 3.37Å; L392-M444 HydrophobicContact CG-CE 3.99Å; L392-M444 HydrophobicContact CG-SD 3.51Å; L392-M444 VanDerWaalsContact CG-SD 3.51Å; L392-V446 HydrophobicContact CD1-CG2 4.36Å |
| 393 | Q | 97.3 | Very high | 94.6 | Very high | 125 Ų | 125 | 62.2 Ų | 62.2 | 58% | 0.584 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -65.4 | -40.3 | 174.3 | -177.8 | 176 | -15.3 | 0 | 0 | 111.9 | K389 M390 V391 K396 S397 | K389-Q393 WeakPolarHBondContact O-CB 3.27Å; K389-Q393 PolarHBondContact O-N 3.23Å; M390-Q393 WeakPolarHBondContact O-CB 3.42Å; M390-Q393 PolarHBondContact O-N 3.22Å; V391-Q393 VanDerWaalsContact C-N 3.31Å; V391-Q393 PolarHBondContact O-N 3.44Å; Q393-K396 PolarHBondContact O-N 3.24Å; Q393-S397 PolarHBondContact O-N 3.41Å |
| 394 | L | 97.7 | Very high | 95.2 | Very high | 1 Ų | 1 | 50.2 Ų | 50.2 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.4 | -52.2 | 176.8 | -177.9 | 62.4 | 0 | 0 | 0 | 111.6 | L343 Y346 A355 F371 M390 V391 K396 S397 L398 | L343-L394 HydrophobicContact CD2-CD2 4.13Å; Y346-L394 HydrophobicContact CD1-CB 4.31Å; Y346-L394 HydrophobicContact CD1-CD2 3.63Å; Y346-L394 HydrophobicContact CD1-CG 4.43Å; Y346-L394 HydrophobicContact CD2-CD1 4.36Å; Y346-L394 HydrophobicContact CD2-CD2 4.48Å; Y346-L394 HydrophobicContact CE1-CB 3.62Å; Y346-L394 HydrophobicContact CE1-CD2 3.84Å; Y346-L394 HydrophobicContact CE1-CG 4.19Å; Y346-L394 HydrophobicContact CE2-CD1 4.17Å; Y346-L394 HydrophobicContact CG-CD2 3.96Å; A355-L394 HydrophobicContact CB-CD1 3.79Å; A355-L394 HydrophobicContact CB-CD2 4.44Å; F371-L394 HydrophobicContact CE1-CD2 4.24Å; F371-L394 HydrophobicContact CZ-CD2 3.88Å; M390-L394 PolarHBondContact O-N 3.41Å; V391-L394 WeakPolarHBondContact O-CB 3.31Å; V391-L394 PolarHBondContact O-N 2.93Å; V391-L394 VanDerWaalsContact O-N 3.15Å; L394-K396 PolarHBondContact O-N 3.1Å; L394-S397 WeakPolarHBondContact O-CB 3.38Å; L394-S397 PolarHBondContact O-N 3.36Å; L394-L398 HydrophobicContact CD1-CD1 3.99Å; L394-L398 HydrophobicContact CD1-CG 4.07Å; L394-L398 HydrophobicContact CD2-CD1 4.44Å; L394-L398 HydrophobicContact CG-CD1 3.82Å; L394-L398 HydrophobicContact CG-CG 4.29Å; L394-L398 WeakPolarHBondContact O-CG 3.26Å; L394-L398 PolarHBondContact O-N 3.49Å |
| 395 | L | 97.9 | Very high | 96 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.8 | -37 | 179.1 | -67 | -177 | 0 | 0 | 0 | 111.8 | F371 V372 A375 I376 V391 S399 I404 M409 F437 V446 | F371-L395 HydrophobicContact CE1-CD2 4.42Å; V372-L395 HydrophobicContact CG2-CD2 4.21Å; A375-L395 HydrophobicContact CB-CD2 4.47Å; I376-L395 HydrophobicContact CG1-CD1 4.48Å; V391-L395 HydrophobicContact CG1-CD1 4.12Å; V391-L395 HydrophobicContact CG1-CG 4.21Å; V391-L395 WeakPolarHBondContact O-CG 3.47Å; V391-L395 PolarHBondContact O-N 3.46Å; L395-S399 VanDerWaalsContact O-CB 3.29Å; L395-S399 WeakPolarHBondContact O-CB 3.44Å; L395-S399 PolarHBondContact O-N 2.95Å; L395-I404 HydrophobicContact CD2-CD1 4.44Å; L395-M409 HydrophobicContact CB-CE 4.21Å; L395-M409 HydrophobicContact CD2-CE 4.36Å; L395-M409 HydrophobicContact CD2-SD 4.41Å; L395-F437 HydrophobicContact CD1-CE1 4.23Å; L395-F437 HydrophobicContact CD1-CZ 4.03Å; L395-V446 HydrophobicContact CB-CG1 4.15Å |
| 396 | K | 96.9 | Very high | 96.2 | Very high | 75 Ų | 75 | 53.6 Ų | 53.6 | 33% | 0.326 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62.1 | -48.3 | 171.3 | -179.2 | 174.9 | -179 | 170 | 0 | 111.9 | L392 Q393 L394 L398 S399 L400 M444 V446 | L392-K396 WeakPolarHBondContact O-CB 3.35Å; L392-K396 PolarHBondContact O-N 2.89Å; L392-K396 VanDerWaalsContact O-N 3.09Å; Q393-K396 PolarHBondContact O-N 3.24Å; L394-K396 PolarHBondContact O-N 3.1Å; K396-L398 VanDerWaalsContact C-N 3.33Å; K396-L398 PolarHBondContact O-N 3.33Å; K396-S399 PolarHBondContact O-N 3.13Å; K396-L400 HydrophobicContact CG-CD1 3.97Å; K396-L400 HydrophobicContact CG-CG 4.37Å; K396-L400 WeakPolarHBondContact O-CB 3.49Å; K396-L400 VanDerWaalsContact O-CG 3.32Å; K396-L400 WeakPolarHBondContact O-CG 3.4Å; K396-L400 PolarHBondContact O-N 3.37Å; K396-M444 HydrophobicContact CB-CE 4.06Å; K396-M444 HydrophobicContact CD-CB 4.29Å; K396-M444 HydrophobicContact CD-CE 3.38Å; K396-M444 HydrophobicContact CG-CE 4.34Å; K396-V446 HydrophobicContact CB-CG2 3.77Å; K396-V446 HydrophobicContact CG-CG2 4.34Å |
| 397 | S | 96.8 | Very high | 96.3 | Very high | 38 Ų | 38 | 50.6 Ų | 50.6 | 27% | 0.266 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -59.6 | -44.9 | 179.2 | -173 | 0 | 0 | 0 | 0 | 111.6 | Q393 L394 L400 S401 | Q393-S397 PolarHBondContact O-N 3.41Å; L394-S397 WeakPolarHBondContact O-CB 3.38Å; L394-S397 PolarHBondContact O-N 3.36Å; S397-L400 PolarHBondContact O-N 2.75Å; S397-S401 PolarHBondContact O-N 2.61Å; S397-S401 PolarHBondContact O-OG 2.88Å |
| 398 | L | 96.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -70.2 | -31.3 | -178.9 | -65.4 | 175.6 | 0 | 0 | 0 | 113.3 | E356 L359 F371 L394 K396 S402 I403 I404 | E356-L398 HydrophobicContact CB-CD2 3.79Å; L359-L398 HydrophobicContact CD2-CD1 3.96Å; L359-L398 HydrophobicContact CD2-CD2 4.39Å; F371-L398 HydrophobicContact CD1-CD1 4.32Å; F371-L398 HydrophobicContact CE1-CD1 3.53Å; F371-L398 HydrophobicContact CZ-CD1 4.16Å; L394-L398 HydrophobicContact CD1-CD1 3.99Å; L394-L398 HydrophobicContact CD1-CG 4.07Å; L394-L398 HydrophobicContact CD2-CD1 4.44Å; L394-L398 HydrophobicContact CG-CD1 3.82Å; L394-L398 HydrophobicContact CG-CG 4.29Å; L394-L398 WeakPolarHBondContact O-CG 3.26Å; L394-L398 PolarHBondContact O-N 3.49Å; K396-L398 VanDerWaalsContact C-N 3.33Å; K396-L398 PolarHBondContact O-N 3.33Å; L398-S402 PolarHBondContact O-N 3.36Å; L398-I403 HydrophobicContact CD2-CB 4.31Å; L398-I403 HydrophobicContact CD2-CD1 3.9Å; L398-I403 HydrophobicContact CD2-CG2 4.36Å; L398-I403 PolarHBondContact O-N 2.62Å; L398-I404 HydrophobicContact CB-CD1 3.87Å; L398-I404 HydrophobicContact CB-CG1 4.03Å; L398-I404 HydrophobicContact CD1-CD1 3.67Å; L398-I404 HydrophobicContact CD1-CG1 4.41Å; L398-I404 HydrophobicContact CG-CD1 4.41Å; L398-I404 PolarHBondContact O-N 3.33Å |
| 399 | S | 95.6 | Very high | 96.5 | Very high | 31 Ų | 31 | 49 Ų | 49 | 22% | 0.217 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -68.8 | -47.8 | 170.7 | 176.1 | 0 | 0 | 0 | 0 | 111 | L395 K396 S401 S402 | L395-S399 VanDerWaalsContact O-CB 3.29Å; L395-S399 WeakPolarHBondContact O-CB 3.44Å; L395-S399 PolarHBondContact O-N 2.95Å; K396-S399 PolarHBondContact O-N 3.13Å; S399-S401 PolarHBondContact O-N 2.98Å; S399-S402 WeakPolarHBondContact O-CA 3.34Å; S399-S402 PolarHBondContact O-N 3.14Å |
| 400 | L | 95 | Very high | 96.6 | Very high | 130 Ų | 130 | 47.5 Ų | 47.5 | 68% | 0.681 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -64.4 | -36.5 | 179.2 | -71.7 | 176 | 0 | 0 | 0 | 113 | K396 S397 S402 | K396-L400 HydrophobicContact CG-CD1 3.97Å; K396-L400 HydrophobicContact CG-CG 4.37Å; K396-L400 WeakPolarHBondContact O-CB 3.49Å; K396-L400 VanDerWaalsContact O-CG 3.32Å; K396-L400 WeakPolarHBondContact O-CG 3.4Å; K396-L400 PolarHBondContact O-N 3.37Å; S397-L400 PolarHBondContact O-N 2.75Å; L400-S402 PolarHBondContact O-N 2.79Å |
| 401 | S | 94.1 | Very high | 96.7 | Very high | 45 Ų | 45 | 51.6 Ų | 51.6 | 32% | 0.315 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | 2.2 | 174.2 | 68.2 | 0 | 0 | 0 | 0 | 113.7 | E356 S397 S399 I403 | E356-S401 VanDerWaalsContact OE1-CB 3.3Å; E356-S401 WeakPolarHBondContact OE1-CB 3.26Å; E356-S401 PolarHBondContact OE1-OG 3.02Å; E356-S401 VanDerWaalsContact OE1-OG 3.07Å; S397-S401 PolarHBondContact O-N 2.61Å; S397-S401 PolarHBondContact O-OG 2.88Å; S399-S401 PolarHBondContact O-N 2.98Å; S401-I403 PolarHBondContact O-N 3.22Å; S401-I403 VanDerWaalsContact O-N 3.16Å; S401-I403 WeakPolarHBondContact OG-CD1 3.32Å; S401-I403 WeakPolarHBondContact OG-CG1 3.5Å |
| 402 | S | 92.9 | Very high | 96.7 | Very high | 95 Ų | 95 | 51.6 Ų | 51.6 | 66% | 0.664 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.2 | 23.3 | 179.6 | -56.7 | 0 | 0 | 0 | 0 | 114.6 | L398 S399 L400 | L398-S402 PolarHBondContact O-N 3.36Å; S399-S402 WeakPolarHBondContact O-CA 3.34Å; S399-S402 PolarHBondContact O-N 3.14Å; L400-S402 PolarHBondContact O-N 2.79Å |
| 403 | I | 95.4 | Very high | 96.8 | Very high | 20 Ų | 20 | 51.2 Ų | 51.2 | 10% | 0.103 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -71.4 | -44.7 | 172.7 | -69 | 174 | 0 | 0 | 0 | 110.1 | E356 L359 R360 H368 L398 S401 | E356-I403 HydrophobicContact CB-CD1 3.76Å; E356-I403 VanDerWaalsContact CD-CD1 3.46Å; E356-I403 HydrophobicContact CG-CD1 3.27Å; E356-I403 WeakPolarHBondContact OE1-CD1 3.48Å; L359-I403 HydrophobicContact CD2-CG2 3.86Å; L359-I403 HydrophobicContact CG-CG2 4.22Å; R360-I403 HydrophobicContact CG-CD1 4.15Å; R360-I403 HydrophobicContact CG-CG1 4.39Å; R360-I403 HydrophobicContact CG-CG2 4.46Å; R360-I403 VanDerWaalsContact NE-CD1 3.32Å; H368-I403 PolarHBondContact CE1-O 3.08Å; H368-I403 PolarHBondContact ND1-O 3.13Å; L398-I403 HydrophobicContact CD2-CB 4.31Å; L398-I403 HydrophobicContact CD2-CD1 3.9Å; L398-I403 HydrophobicContact CD2-CG2 4.36Å; L398-I403 PolarHBondContact O-N 2.62Å; S401-I403 PolarHBondContact O-N 3.22Å; S401-I403 VanDerWaalsContact O-N 3.16Å; S401-I403 WeakPolarHBondContact OG-CD1 3.32Å; S401-I403 WeakPolarHBondContact OG-CG1 3.5Å |
| 404 | I | 97.4 | Very high | 96.8 | Very high | 2 Ų | 2 | 48.2 Ų | 48.2 | 1% | 0.01 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -98.2 | 114.4 | 171.3 | -58.5 | 179.5 | 0 | 0 | 0 | 106.4 | L359 H368 F371 V372 L395 L398 Q408 M409 | L359-I404 HydrophobicContact CD2-CD1 4.05Å; L359-I404 HydrophobicContact CD2-CG1 4.02Å; H368-I404 HydrophobicContact CB-CG1 4.32Å; F371-I404 HydrophobicContact CD1-CD1 3.85Å; F371-I404 HydrophobicContact CE1-CD1 4.3Å; V372-I404 HydrophobicContact CG2-CD1 3.84Å; V372-I404 HydrophobicContact CG2-CG2 4Å; L395-I404 HydrophobicContact CD2-CD1 4.44Å; L398-I404 HydrophobicContact CB-CD1 3.87Å; L398-I404 HydrophobicContact CB-CG1 4.03Å; L398-I404 HydrophobicContact CD1-CD1 3.67Å; L398-I404 HydrophobicContact CD1-CG1 4.41Å; L398-I404 HydrophobicContact CG-CD1 4.41Å; L398-I404 PolarHBondContact O-N 3.33Å; I404-Q408 HydrophobicContact CG2-CB 3.94Å; I404-M409 HydrophobicContact CB-CE 4.13Å; I404-M409 HydrophobicContact CD1-CE 4.37Å; I404-M409 HydrophobicContact CG2-CB 4.02Å; I404-M409 HydrophobicContact CG2-CE 3.84Å; I404-M409 HydrophobicContact CG2-SD 4.47Å |
| 405 | T | 96.7 | Very high | 96.8 | Very high | 71 Ų | 71 | 51.3 Ų | 51.3 | 44% | 0.436 | 27% | 0.265 | S | S | . | . | trans | -67.9 | 157 | 176.1 | 63.6 | 0 | 0 | 0 | 0 | 110.5 | D407 Q408 M409 | T405-D407 PolarHBondContact O-N 3.12Å; T405-Q408 PolarHBondContact O-N 2.81Å; T405-Q408 VanDerWaalsContact O-N 3.09Å; T405-Q408 VanDerWaalsContact OG1-CG 3.24Å; T405-Q408 WeakPolarHBondContact OG1-CG 3.35Å; T405-Q408 PolarHBondContact OG1-N 2.95Å; T405-M409 PolarHBondContact O-N 2.92Å | ||
| 406 | E | 95.7 | Very high | 96.9 | Very high | 170 Ų | 170 | 51.3 Ų | 51.3 | 79% | 0.794 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -55.4 | -38.9 | 176.7 | -75.2 | -175.3 | 153 | 0 | 0 | 112.5 | M409 Q410 | E406-M409 PolarHBondContact O-N 3.21Å; E406-Q410 VanDerWaalsContact O-CB 3.25Å; E406-Q410 WeakPolarHBondContact O-CB 3.11Å; E406-Q410 PolarHBondContact O-N 3.28Å |
| 407 | D | 97.1 | Very high | 96.9 | Very high | 69 Ų | 69 | 48.8 Ų | 48.8 | 37% | 0.369 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -62.3 | -45 | 175.8 | 169.9 | 80.5 | 0 | 0 | 0 | 111.8 | T405 Q410 R411 | T405-D407 PolarHBondContact O-N 3.12Å; D407-Q410 PolarHBondContact O-N 3.12Å; D407-R411 VanDerWaalsContact CG-NE 3.3Å; D407-R411 WeakPolarHBondContact O-CB 3.37Å; D407-R411 VanDerWaalsContact O-CG 3.27Å; D407-R411 WeakPolarHBondContact O-CG 3.34Å; D407-R411 PolarHBondContact O-N 3.41Å; D407-R411 IonicContact OD1-CZ 3.92Å; D407-R411 VanDerWaalsContact OD1-CZ 3.28Å; D407-R411 IonicContact OD1-NE 3.44Å; D407-R411 PolarHBondContact OD1-NE 3.07Å; D407-R411 IonicContact OD1-NH2 3.96Å; D407-R411 PolarHBondContact OD1-NH2 3.31Å; D407-R411 IonicContact OD2-CZ 2.75Å; D407-R411 IonicContact OD2-NE 2.86Å; D407-R411 PolarHBondContact OD2-NE 2.98Å; D407-R411 IonicContact OD2-NH1 3.28Å; D407-R411 IonicContact OD2-NH2 3.63Å; D407-R411 PolarHBondContact OD2-NH2 3.47Å |
| 408 | Q | 98.1 | Very high | 96.9 | Very high | 1 Ų | 1 | 54.5 Ų | 54.5 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -69.3 | -37.5 | 178.6 | -68 | -66.2 | -60.5 | 0 | 0 | 112.1 | P365 H366 H368 H369 I404 T405 G412 | P365-Q408 WeakPolarHBondContact O-CG 3.34Å; P365-Q408 PolarHBondContact O-OE1 3.45Å; H366-Q408 PolarHBondContact O-OE1 2.88Å; H366-Q408 VanDerWaalsContact O-OE1 3.12Å; H368-Q408 HydrophobicContact CB-CB 4.04Å; H368-Q408 HydrophobicContact CB-CG 4.23Å; H368-Q408 VanDerWaalsContact N-OE1 3.13Å; H369-Q408 WeakPolarHBondContact CA-O 3.42Å; H369-Q408 WeakPolarHBondContact CB-O 3.43Å; H369-Q408 PolarHBondContact CD2-OE1 2.99Å; H369-Q408 VanDerWaalsContact CD2-OE1 3.25Å; I404-Q408 HydrophobicContact CG2-CB 3.94Å; T405-Q408 PolarHBondContact O-N 2.81Å; T405-Q408 VanDerWaalsContact O-N 3.09Å; T405-Q408 VanDerWaalsContact OG1-CG 3.24Å; T405-Q408 WeakPolarHBondContact OG1-CG 3.35Å; T405-Q408 PolarHBondContact OG1-N 2.95Å; Q408-G412 PolarHBondContact O-N 3.2Å; Q408-G412 VanDerWaalsContact O-N 3.13Å |
| 409 | M | 98.1 | Very high | 96.9 | Very high | 5 Ų | 5 | 56.8 Ų | 56.8 | 3% | 0.025 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.6 | -52.3 | 172.5 | -169.1 | 65.2 | 73.8 | 0 | 0 | 109.9 | V372 L395 I404 T405 E406 R411 G412 Y413 V446 I447 | V372-M409 HydrophobicContact CG1-SD 3.88Å; V372-M409 HydrophobicContact CG2-SD 3.84Å; L395-M409 HydrophobicContact CB-CE 4.21Å; L395-M409 HydrophobicContact CD2-CE 4.36Å; L395-M409 HydrophobicContact CD2-SD 4.41Å; I404-M409 HydrophobicContact CB-CE 4.13Å; I404-M409 HydrophobicContact CD1-CE 4.37Å; I404-M409 HydrophobicContact CG2-CB 4.02Å; I404-M409 HydrophobicContact CG2-CE 3.84Å; I404-M409 HydrophobicContact CG2-SD 4.47Å; T405-M409 PolarHBondContact O-N 2.92Å; E406-M409 PolarHBondContact O-N 3.21Å; M409-R411 PolarHBondContact O-N 3.47Å; M409-G412 PolarHBondContact O-N 3.2Å; M409-Y413 HydrophobicContact CG-CD2 4.36Å; M409-Y413 HydrophobicContact CG-CE2 4.08Å; M409-Y413 WeakPolarHBondContact O-CD2 3.31Å; M409-Y413 PolarHBondContact O-N 3.49Å; M409-Y413 HydrophobicContact SD-CD2 4.39Å; M409-Y413 HydrophobicContact SD-CE2 3.78Å; M409-V446 HydrophobicContact CE-CG1 4.07Å; M409-V446 HydrophobicContact CG-CG1 4.4Å; M409-V446 HydrophobicContact SD-CG1 4.08Å; M409-I447 HydrophobicContact CG-CG2 4.42Å |
| 410 | Q | 97.7 | Very high | 97 | Very high | 84 Ų | 84 | 55.4 Ų | 55.4 | 39% | 0.393 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -57.2 | -50.5 | -179.5 | -176.9 | 179.1 | -17.2 | 0 | 0 | 112 | E406 D407 G412 Y413 E414 L451 | E406-Q410 VanDerWaalsContact O-CB 3.25Å; E406-Q410 WeakPolarHBondContact O-CB 3.11Å; E406-Q410 PolarHBondContact O-N 3.28Å; D407-Q410 PolarHBondContact O-N 3.12Å; Q410-G412 VanDerWaalsContact C-N 3.25Å; Q410-G412 PolarHBondContact O-N 3.48Å; Q410-Y413 PolarHBondContact O-N 2.9Å; Q410-E414 HydrophobicContact CG-CG 4.29Å; Q410-E414 WeakPolarHBondContact CG-OE1 3.4Å; Q410-E414 PolarHBondContact NE2-OE1 2.98Å; Q410-E414 WeakPolarHBondContact O-CG 3.39Å; Q410-E414 PolarHBondContact O-N 3.35Å; Q410-L451 HydrophobicContact CB-CD2 4.29Å; Q410-L451 HydrophobicContact CG-CD1 4.02Å; Q410-L451 HydrophobicContact CG-CD2 4.12Å |
| 411 | R | 98.3 | Very high | 96.9 | Very high | 113 Ų | 113 | 54.2 Ų | 54.2 | 43% | 0.426 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -59.1 | -35.8 | 178.7 | -72.6 | 177.2 | -166.3 | -165.4 | 9.1 | 112.9 | H369 D407 M409 R415 | H369-R411 HydrophobicContact CB-CB 3.75Å; D407-R411 VanDerWaalsContact CG-NE 3.3Å; D407-R411 WeakPolarHBondContact O-CB 3.37Å; D407-R411 VanDerWaalsContact O-CG 3.27Å; D407-R411 WeakPolarHBondContact O-CG 3.34Å; D407-R411 PolarHBondContact O-N 3.41Å; D407-R411 IonicContact OD1-CZ 3.92Å; D407-R411 VanDerWaalsContact OD1-CZ 3.28Å; D407-R411 IonicContact OD1-NE 3.44Å; D407-R411 PolarHBondContact OD1-NE 3.07Å; D407-R411 IonicContact OD1-NH2 3.96Å; D407-R411 PolarHBondContact OD1-NH2 3.31Å; D407-R411 IonicContact OD2-CZ 2.75Å; D407-R411 IonicContact OD2-NE 2.86Å; D407-R411 PolarHBondContact OD2-NE 2.98Å; D407-R411 IonicContact OD2-NH1 3.28Å; D407-R411 IonicContact OD2-NH2 3.63Å; D407-R411 PolarHBondContact OD2-NH2 3.47Å; M409-R411 PolarHBondContact O-N 3.47Å; R411-R415 VanDerWaalsContact O-CG 3.28Å; R411-R415 WeakPolarHBondContact O-CG 3.42Å; R411-R415 PolarHBondContact O-N 3.5Å |
| 412 | G | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.9 | -47.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | H369 Q408 M409 Q410 V416 | H369-G412 WeakPolarHBondContact O-CA 3.39Å; Q408-G412 PolarHBondContact O-N 3.2Å; Q408-G412 VanDerWaalsContact O-N 3.13Å; M409-G412 PolarHBondContact O-N 3.2Å; Q410-G412 VanDerWaalsContact C-N 3.25Å; Q410-G412 PolarHBondContact O-N 3.48Å; G412-V416 WeakPolarHBondContact O-CG2 3.5Å; G412-V416 PolarHBondContact O-N 3.04Å |
| 413 | Y | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -66.7 | -44.3 | 175.8 | -80.8 | -102.9 | 0 | 0 | 0 | 112.2 | V372 I376 M409 Q410 R415 V416 Y417 F437 V438 S441 I447 L451 | V372-Y413 HydrophobicContact CG1-CD2 3.9Å; V372-Y413 HydrophobicContact CG1-CE2 3.98Å; I376-Y413 HydrophobicContact CD1-CD1 3.86Å; I376-Y413 HydrophobicContact CD1-CD2 3.82Å; I376-Y413 HydrophobicContact CD1-CE1 3.89Å; I376-Y413 HydrophobicContact CD1-CE2 3.85Å; I376-Y413 HydrophobicContact CD1-CG 3.84Å; M409-Y413 HydrophobicContact CG-CD2 4.36Å; M409-Y413 HydrophobicContact CG-CE2 4.08Å; M409-Y413 WeakPolarHBondContact O-CD2 3.31Å; M409-Y413 PolarHBondContact O-N 3.49Å; M409-Y413 HydrophobicContact SD-CD2 4.39Å; M409-Y413 HydrophobicContact SD-CE2 3.78Å; Q410-Y413 PolarHBondContact O-N 2.9Å; Y413-R415 VanDerWaalsContact C-N 3.26Å; Y413-R415 PolarHBondContact O-N 3.22Å; Y413-V416 WeakPolarHBondContact O-CB 3.46Å; Y413-V416 PolarHBondContact O-N 3.48Å; Y413-V416 VanDerWaalsContact O-N 3.1Å; Y413-Y417 HydrophobicContact CD1-CE1 4.35Å; Y413-Y417 VanDerWaalsContact O-CD1 3.25Å; Y413-Y417 WeakPolarHBondContact O-CD1 3.03Å; Y413-Y417 VanDerWaalsContact O-CG 3.28Å; Y413-Y417 PolarHBondContact O-N 3.01Å; Y413-F437 HydrophobicContact CE1-CD1 4.17Å; Y413-F437 HydrophobicContact CE1-CE1 4.16Å; Y413-F437 WeakPolarHBondContact OH-CE1 3.5Å; Y413-V438 HydrophobicContact CD1-CG2 4.23Å; Y413-V438 HydrophobicContact CE1-CG2 4.27Å; Y413-S441 WeakPolarHBondContact OH-CB 3.24Å; Y413-S441 PolarHBondContact OH-OG 2.77Å; Y413-I447 HydrophobicContact CD1-CG2 4.45Å; Y413-I447 HydrophobicContact CD2-CG2 4.01Å; Y413-I447 HydrophobicContact CE1-CD1 4.23Å; Y413-I447 HydrophobicContact CE1-CG2 4.08Å; Y413-I447 HydrophobicContact CE2-CG2 3.61Å; Y413-I447 HydrophobicContact CG-CG2 4.41Å; Y413-L451 HydrophobicContact CD2-CD2 4.32Å; Y413-L451 HydrophobicContact CG-CD2 4.03Å |
| 414 | E | 98.3 | Very high | 97.1 | Very high | 62 Ų | 62 | 55.3 Ų | 55.3 | 29% | 0.29 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -57.8 | -40.4 | 179 | -74.5 | 175.7 | 173.3 | 0 | 0 | 111.5 | Q410 Y417 M418 L451 | Q410-E414 HydrophobicContact CG-CG 4.29Å; Q410-E414 WeakPolarHBondContact CG-OE1 3.4Å; Q410-E414 PolarHBondContact NE2-OE1 2.98Å; Q410-E414 WeakPolarHBondContact O-CG 3.39Å; Q410-E414 PolarHBondContact O-N 3.35Å; E414-Y417 WeakPolarHBondContact O-CB 3.39Å; E414-Y417 PolarHBondContact O-N 2.88Å; E414-M418 WeakPolarHBondContact O-CG 3.48Å; E414-M418 PolarHBondContact O-N 3.26Å; E414-L451 HydrophobicContact CG-CD1 3.82Å |
| 415 | R | 98.3 | Very high | 97 | Very high | 67 Ų | 67 | 61.6 Ų | 61.6 | 25% | 0.253 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.1 | -46 | 174.2 | -75.5 | 174.4 | 61.8 | -163.6 | 10.2 | 112.5 | H369 E370 Y373 R411 Y413 Y417 M418 D419 | H369-R415 PolarHBondContact ND1-NH1 3.46Å; H369-R415 PolarHBondContact O-NH1 3.33Å; E370-R415 IonicContact OE1-NH2 3.92Å; E370-R415 IonicContact OE2-CZ 3.05Å; E370-R415 IonicContact OE2-NH1 3.12Å; E370-R415 PolarHBondContact OE2-NH1 3.47Å; E370-R415 IonicContact OE2-NH2 3.07Å; E370-R415 PolarHBondContact OE2-NH2 3.13Å; Y373-R415 HydrophobicContact CD2-CB 3.78Å; Y373-R415 HydrophobicContact CE2-CB 4.38Å; R411-R415 VanDerWaalsContact O-CG 3.28Å; R411-R415 WeakPolarHBondContact O-CG 3.42Å; R411-R415 PolarHBondContact O-N 3.5Å; Y413-R415 VanDerWaalsContact C-N 3.26Å; Y413-R415 PolarHBondContact O-N 3.22Å; R415-Y417 PolarHBondContact O-N 2.98Å; R415-M418 PolarHBondContact O-N 2.95Å; R415-M418 VanDerWaalsContact O-N 3.1Å; R415-D419 PolarHBondContact O-N 2.87Å |
| 416 | V | 98.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60 | -37.5 | 175.2 | 178.3 | 0 | 0 | 0 | 0 | 111 | Y373 I376 L380 G412 Y413 M418 D419 I420 I423 L434 | Y373-V416 HydrophobicContact CD2-CG2 3.57Å; Y373-V416 HydrophobicContact CE2-CG2 4.1Å; Y373-V416 HydrophobicContact CG-CG2 4.36Å; I376-V416 HydrophobicContact CB-CG2 3.93Å; I376-V416 HydrophobicContact CD1-CG2 4.11Å; I376-V416 HydrophobicContact CG2-CB 4.39Å; I376-V416 HydrophobicContact CG2-CG1 3.86Å; I376-V416 HydrophobicContact CG2-CG2 3.92Å; L380-V416 HydrophobicContact CD1-CG1 4.09Å; G412-V416 WeakPolarHBondContact O-CG2 3.5Å; G412-V416 PolarHBondContact O-N 3.04Å; Y413-V416 WeakPolarHBondContact O-CB 3.46Å; Y413-V416 PolarHBondContact O-N 3.48Å; Y413-V416 VanDerWaalsContact O-N 3.1Å; V416-M418 VanDerWaalsContact C-N 3.32Å; V416-M418 PolarHBondContact O-N 3.29Å; V416-D419 PolarHBondContact O-N 3.27Å; V416-I420 WeakPolarHBondContact O-CB 3.36Å; V416-I420 PolarHBondContact O-N 3.43Å; V416-I423 HydrophobicContact CG1-CD1 4.35Å; V416-L434 HydrophobicContact CG1-CD1 3.85Å; V416-L434 HydrophobicContact CG1-CD2 4.33Å |
| 417 | Y | 97.8 | Very high | 96.8 | Very high | 22 Ų | 22 | 57.7 Ų | 57.7 | 9% | 0.086 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66 | -35.2 | 177.2 | -61 | -10.7 | 0 | 0 | 0 | 112.5 | Y413 E414 R415 I420 L434 V438 L451 Q454 P456 | Y413-Y417 HydrophobicContact CD1-CE1 4.35Å; Y413-Y417 VanDerWaalsContact O-CD1 3.25Å; Y413-Y417 WeakPolarHBondContact O-CD1 3.03Å; Y413-Y417 VanDerWaalsContact O-CG 3.28Å; Y413-Y417 PolarHBondContact O-N 3.01Å; E414-Y417 WeakPolarHBondContact O-CB 3.39Å; E414-Y417 PolarHBondContact O-N 2.88Å; R415-Y417 PolarHBondContact O-N 2.98Å; Y417-I420 VanDerWaalsContact O-CG2 3.3Å; Y417-I420 WeakPolarHBondContact O-CG2 3.31Å; Y417-L434 HydrophobicContact CD1-CD2 3.97Å; Y417-L434 HydrophobicContact CE1-CD1 4.18Å; Y417-L434 HydrophobicContact CE1-CD2 4.21Å; Y417-L434 HydrophobicContact CE1-CG 4.41Å; Y417-V438 HydrophobicContact CE1-CG2 3.79Å; Y417-V438 WeakPolarHBondContact OH-CG1 3.21Å; Y417-V438 WeakPolarHBondContact OH-CG2 3.4Å; Y417-L451 HydrophobicContact CE2-CD1 3.79Å; Y417-L451 HydrophobicContact CE2-CG 4.29Å; Y417-L451 WeakPolarHBondContact CE2-O 3.42Å; Y417-L451 PolarHBondContact OH-O 3.26Å; Y417-Q454 HydrophobicContact CD2-CB 4.46Å; Y417-Q454 HydrophobicContact CE2-CB 4.31Å; Y417-P456 HydrophobicContact CD1-CG 4.36Å; Y417-P456 HydrophobicContact CG-CG 4.35Å |
| 418 | M | 97.1 | Very high | 96.6 | Very high | 157 Ų | 157 | 58.6 Ų | 58.6 | 77% | 0.773 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -70.5 | -39 | 175.4 | -67.3 | -172.4 | 72.7 | 0 | 0 | 111.9 | E414 R415 V416 | E414-M418 WeakPolarHBondContact O-CG 3.48Å; E414-M418 PolarHBondContact O-N 3.26Å; R415-M418 PolarHBondContact O-N 2.95Å; R415-M418 VanDerWaalsContact O-N 3.1Å; V416-M418 VanDerWaalsContact C-N 3.32Å; V416-M418 PolarHBondContact O-N 3.29Å |
| 419 | D | 97.2 | Very high | 96.2 | Very high | 48 Ų | 48 | 63.9 Ų | 63.9 | 26% | 0.257 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -93.2 | 0.1 | -173 | -58.9 | -17.9 | 0 | 0 | 0 | 112.8 | Y373 R415 V416 D421 E422 I423 | Y373-D419 HydrophobicContact CE2-CB 4.42Å; Y373-D419 WeakPolarHBondContact CE2-OD2 3.01Å; R415-D419 PolarHBondContact O-N 2.87Å; V416-D419 PolarHBondContact O-N 3.27Å; D419-D421 PolarHBondContact O-N 3.37Å; D419-D421 VanDerWaalsContact O-N 3.16Å; D419-E422 PolarHBondContact O-N 3.24Å; D419-I423 HydrophobicContact CB-CD1 4.22Å; D419-I423 WeakPolarHBondContact O-CG1 3.29Å; D419-I423 PolarHBondContact O-N 3.19Å |
| 420 | I | 96.2 | Very high | 96.1 | Very high | 3 Ų | 3 | 63.7 Ų | 63.7 | 2% | 0.015 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -59.2 | -32.6 | -174 | -168.3 | 53.3 | 0 | 0 | 0 | 113.5 | L380 V416 Y417 N424 A430 Y431 L434 P456 | L380-I420 HydrophobicContact CD1-CD1 4.23Å; V416-I420 WeakPolarHBondContact O-CB 3.36Å; V416-I420 PolarHBondContact O-N 3.43Å; Y417-I420 VanDerWaalsContact O-CG2 3.3Å; Y417-I420 WeakPolarHBondContact O-CG2 3.31Å; I420-N424 WeakPolarHBondContact O-CB 3.05Å; I420-N424 PolarHBondContact O-N 3.11Å; I420-A430 HydrophobicContact CD1-CB 3.72Å; I420-Y431 HydrophobicContact CG1-CD1 4.09Å; I420-Y431 HydrophobicContact CG1-CD2 4.22Å; I420-Y431 HydrophobicContact CG1-CE1 3.97Å; I420-Y431 HydrophobicContact CG1-CE2 4.09Å; I420-Y431 HydrophobicContact CG1-CG 4.23Å; I420-Y431 HydrophobicContact CG2-CE1 3.93Å; I420-Y431 HydrophobicContact CG2-CE2 4.49Å; I420-L434 HydrophobicContact CB-CD2 4.42Å; I420-L434 HydrophobicContact CD1-CB 4.45Å; I420-L434 HydrophobicContact CD1-CD2 3.73Å; I420-L434 HydrophobicContact CG1-CD2 3.85Å; I420-P456 HydrophobicContact CB-CG 4.4Å; I420-P456 HydrophobicContact CG2-CB 4.25Å; I420-P456 HydrophobicContact CG2-CG 3.73Å |
| 421 | D | 94.4 | Very high | 96 | Very high | 104 Ų | 104 | 60.8 Ų | 60.8 | 56% | 0.556 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -67.4 | -39.5 | 177.8 | -84.1 | -32.1 | 0 | 0 | 0 | 111.3 | D419 Y431 | D419-D421 PolarHBondContact O-N 3.37Å; D419-D421 VanDerWaalsContact O-N 3.16Å; D421-Y431 PolarHBondContact OD1-OH 3.35Å |
| 422 | E | 95.6 | Very high | 95.8 | Very high | 136 Ų | 136 | 61.2 Ų | 61.2 | 64% | 0.636 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -69.6 | -48.1 | 175.6 | -60.8 | -170.1 | 171.5 | 0 | 0 | 110.3 | D419 N424 I425 | D419-E422 PolarHBondContact O-N 3.24Å; E422-N424 PolarHBondContact O-N 3.4Å; E422-I425 VanDerWaalsContact O-CB 3.28Å; E422-I425 WeakPolarHBondContact O-CB 3.26Å; E422-I425 PolarHBondContact O-N 3.29Å |
| 423 | I | 94.9 | Very high | 95.6 | Very high | 15 Ų | 15 | 62.9 Ų | 62.9 | 8% | 0.077 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -57.8 | -37.1 | 176.4 | -62.4 | 164.5 | 0 | 0 | 0 | 111.1 | V377 L380 V416 D419 I425 D426 V427 A430 | V377-I423 HydrophobicContact CG2-CD1 4.05Å; L380-I423 HydrophobicContact CD1-CD1 4.4Å; L380-I423 HydrophobicContact CD1-CG2 4.04Å; V416-I423 HydrophobicContact CG1-CD1 4.35Å; D419-I423 HydrophobicContact CB-CD1 4.22Å; D419-I423 WeakPolarHBondContact O-CG1 3.29Å; D419-I423 PolarHBondContact O-N 3.19Å; I423-I425 PolarHBondContact O-N 3.45Å; I423-D426 PolarHBondContact O-N 2.65Å; I423-V427 PolarHBondContact O-N 3.15Å; I423-A430 HydrophobicContact CG2-CB 4.08Å |
| 424 | N | 95.6 | Very high | 95.5 | Very high | 32 Ų | 32 | 62.9 Ų | 62.9 | 17% | 0.171 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -69.3 | -17.5 | -179.3 | -179.2 | 79.9 | 0 | 0 | 0 | 113.5 | I420 E422 D426 V427 P428 A430 Y431 | I420-N424 WeakPolarHBondContact O-CB 3.05Å; I420-N424 PolarHBondContact O-N 3.11Å; E422-N424 PolarHBondContact O-N 3.4Å; N424-D426 VanDerWaalsContact C-N 3.34Å; N424-V427 WeakPolarHBondContact CA-O 3.34Å; N424-V427 CarbonylContact O-C 3.55Å; N424-V427 PolarHBondContact OD1-O 3.08Å; N424-P428 PolarHBondContact OD1-O 3.5Å; N424-A430 HydrophobicContact CB-CB 4.2Å; N424-Y431 HydrophobicContact CB-CD2 4.03Å; N424-Y431 HydrophobicContact CB-CE2 3.94Å |
| 425 | I | 94.9 | Very high | 95.4 | Very high | 135 Ų | 135 | 63.1 Ų | 63.1 | 69% | 0.692 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -64.9 | -43.6 | 171.8 | -62.6 | 170.6 | 0 | 0 | 0 | 109.5 | E422 I423 | E422-I425 VanDerWaalsContact O-CB 3.28Å; E422-I425 WeakPolarHBondContact O-CB 3.26Å; E422-I425 PolarHBondContact O-N 3.29Å; I423-I425 PolarHBondContact O-N 3.45Å |
| 426 | D | 95.1 | Very high | 95.3 | Very high | 135 Ų | 135 | 63.4 Ų | 63.4 | 72% | 0.722 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -85.2 | -31.5 | -179.3 | -62.4 | -42.9 | 0 | 0 | 0 | 112.3 | I423 N424 | I423-D426 PolarHBondContact O-N 2.65Å; N424-D426 VanDerWaalsContact C-N 3.34Å |
| 427 | V | 94 | Very high | 95.2 | Very high | 23 Ų | 23 | 63.4 Ų | 63.4 | 14% | 0.139 | 32% | 0.321 | C | S | . | . | trans | -122.8 | 94.1 | -177.7 | -175.3 | 0 | 0 | 0 | 0 | 111 | L380 E381 I423 N424 L429 A430 | L380-V427 WeakPolarHBondContact O-CG1 3.45Å; E381-V427 HydrophobicContact CG-CG2 4Å; I423-V427 PolarHBondContact O-N 3.15Å; N424-V427 WeakPolarHBondContact CA-O 3.34Å; N424-V427 CarbonylContact O-C 3.55Å; N424-V427 PolarHBondContact OD1-O 3.08Å; V427-L429 PolarHBondContact O-N 2.86Å; V427-A430 HydrophobicContact CB-CB 4.11Å; V427-A430 HydrophobicContact CG1-CB 4.14Å; V427-A430 VanDerWaalsContact O-CB 3.24Å; V427-A430 WeakPolarHBondContact O-CB 3.4Å; V427-A430 PolarHBondContact O-N 3.46Å | ||
| 428 | P | 91.1 | Very high | 95.2 | Very high | 89 Ų | 89 | 62.5 Ų | 62.5 | 58% | 0.578 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -15 | -173.8 | -26.8 | 34.8 | 0 | 0 | 0 | 116.6 | N424 | N424-P428 PolarHBondContact OD1-O 3.5Š|
| 429 | L | 91.6 | Very high | 95.2 | Very high | 112 Ų | 112 | 58.5 Ų | 58.5 | 59% | 0.586 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.7 | 8.8 | 178.5 | -63.5 | 178.6 | 0 | 0 | 0 | 112.9 | V427 Y431 F432 I433 | V427-L429 PolarHBondContact O-N 2.86Å; L429-Y431 PolarHBondContact O-N 3.19Å; L429-F432 PolarHBondContact O-N 3.31Å; L429-F432 VanDerWaalsContact O-N 3.08Å; L429-I433 HydrophobicContact CB-CD1 4.19Å; L429-I433 HydrophobicContact CB-CG1 4.47Å; L429-I433 WeakPolarHBondContact O-CG1 3.5Å; L429-I433 PolarHBondContact O-N 3.41Å; L429-I433 VanDerWaalsContact O-N 3.1Å |
| 430 | A | 94.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -53.4 | -49.3 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | I420 I423 N424 V427 F432 I433 L434 | I420-A430 HydrophobicContact CD1-CB 3.72Å; I423-A430 HydrophobicContact CG2-CB 4.08Å; N424-A430 HydrophobicContact CB-CB 4.2Å; V427-A430 HydrophobicContact CB-CB 4.11Å; V427-A430 HydrophobicContact CG1-CB 4.14Å; V427-A430 VanDerWaalsContact O-CB 3.24Å; V427-A430 WeakPolarHBondContact O-CB 3.4Å; V427-A430 PolarHBondContact O-N 3.46Å; A430-F432 VanDerWaalsContact C-N 3.33Å; A430-F432 PolarHBondContact O-N 3.07Å; A430-I433 PolarHBondContact O-N 2.9Å; A430-L434 VanDerWaalsContact O-CB 3.25Å; A430-L434 WeakPolarHBondContact O-CB 3.45Å; A430-L434 PolarHBondContact O-N 3.02Å |
| 431 | Y | 95.1 | Very high | 95.2 | Very high | 24 Ų | 24 | 59.7 Ų | 59.7 | 9% | 0.094 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -53.3 | -45.9 | 177.1 | -83.9 | -83.1 | 0 | 0 | 0 | 113.4 | I420 D421 N424 L429 L434 E435 P456 R458 | I420-Y431 HydrophobicContact CG1-CD1 4.09Å; I420-Y431 HydrophobicContact CG1-CD2 4.22Å; I420-Y431 HydrophobicContact CG1-CE1 3.97Å; I420-Y431 HydrophobicContact CG1-CE2 4.09Å; I420-Y431 HydrophobicContact CG1-CG 4.23Å; I420-Y431 HydrophobicContact CG2-CE1 3.93Å; I420-Y431 HydrophobicContact CG2-CE2 4.49Å; D421-Y431 PolarHBondContact OD1-OH 3.35Å; N424-Y431 HydrophobicContact CB-CD2 4.03Å; N424-Y431 HydrophobicContact CB-CE2 3.94Å; L429-Y431 PolarHBondContact O-N 3.19Å; Y431-L434 PolarHBondContact O-N 2.79Å; Y431-E435 WeakPolarHBondContact O-CG 3.47Å; Y431-E435 PolarHBondContact O-N 3.22Å; Y431-P456 HydrophobicContact CE1-CB 4.14Å; Y431-P456 HydrophobicContact CE1-CG 4.45Å; Y431-R458 HydrophobicContact CD1-CB 4Å; Y431-R458 HydrophobicContact CD2-CB 4.18Å; Y431-R458 HydrophobicContact CD2-CG 4.49Å; Y431-R458 HydrophobicContact CE1-CB 4.43Å; Y431-R458 HydrophobicContact CG-CB 3.84Å |
| 432 | F | 94.1 | Very high | 95.4 | Very high | 122 Ų | 122 | 57.4 Ų | 57.4 | 54% | 0.535 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -69.6 | -40 | -177.7 | 174.1 | -107.4 | 0 | 0 | 0 | 112.2 | L429 A430 Q436 | L429-F432 PolarHBondContact O-N 3.31Å; L429-F432 VanDerWaalsContact O-N 3.08Å; A430-F432 VanDerWaalsContact C-N 3.33Å; A430-F432 PolarHBondContact O-N 3.07Å; F432-Q436 PolarHBondContact O-N 3.29Å |
| 433 | I | 95.2 | Very high | 95.4 | Very high | 34 Ų | 34 | 57.6 Ų | 57.6 | 17% | 0.174 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -69.2 | -41.5 | 177.8 | -59.2 | 169.6 | 0 | 0 | 0 | 109.7 | V379 L380 F388 L429 A430 Q436 F437 | V379-I433 HydrophobicContact CG1-CG2 4.26Å; L380-I433 HydrophobicContact CD2-CB 3.89Å; L380-I433 HydrophobicContact CD2-CG2 3.81Å; F388-I433 HydrophobicContact CD2-CG2 4.39Å; F388-I433 HydrophobicContact CE2-CG2 4.48Å; L429-I433 HydrophobicContact CB-CD1 4.19Å; L429-I433 HydrophobicContact CB-CG1 4.47Å; L429-I433 WeakPolarHBondContact O-CG1 3.5Å; L429-I433 PolarHBondContact O-N 3.41Å; L429-I433 VanDerWaalsContact O-N 3.1Å; A430-I433 PolarHBondContact O-N 2.9Å; I433-Q436 PolarHBondContact O-N 3.26Å; I433-F437 WeakPolarHBondContact O-CB 3.35Å; I433-F437 PolarHBondContact O-N 3.02Å |
| 434 | L | 96.5 | Very high | 95.4 | Very high | 1 Ų | 1 | 59.9 Ų | 59.9 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.5 | -50.1 | 177.6 | -178.2 | 64.6 | 0 | 0 | 0 | 111.4 | I376 L380 V416 Y417 I420 A430 Y431 Q436 F437 V438 P456 | I376-L434 HydrophobicContact CG2-CD1 4.13Å; L380-L434 HydrophobicContact CD2-CB 3.93Å; V416-L434 HydrophobicContact CG1-CD1 3.85Å; V416-L434 HydrophobicContact CG1-CD2 4.33Å; Y417-L434 HydrophobicContact CD1-CD2 3.97Å; Y417-L434 HydrophobicContact CE1-CD1 4.18Å; Y417-L434 HydrophobicContact CE1-CD2 4.21Å; Y417-L434 HydrophobicContact CE1-CG 4.41Å; I420-L434 HydrophobicContact CB-CD2 4.42Å; I420-L434 HydrophobicContact CD1-CB 4.45Å; I420-L434 HydrophobicContact CD1-CD2 3.73Å; I420-L434 HydrophobicContact CG1-CD2 3.85Å; A430-L434 VanDerWaalsContact O-CB 3.25Å; A430-L434 WeakPolarHBondContact O-CB 3.45Å; A430-L434 PolarHBondContact O-N 3.02Å; Y431-L434 PolarHBondContact O-N 2.79Å; L434-Q436 VanDerWaalsContact C-N 3.3Å; L434-Q436 PolarHBondContact O-N 3.31Å; L434-F437 WeakPolarHBondContact O-CB 3.06Å; L434-F437 PolarHBondContact O-N 2.76Å; L434-V438 HydrophobicContact CD1-CG2 4.04Å; L434-V438 HydrophobicContact CG-CG2 4.25Å; L434-V438 VanDerWaalsContact O-CG2 3.31Å; L434-V438 WeakPolarHBondContact O-CG2 3.37Å; L434-V438 PolarHBondContact O-N 2.93Å; L434-P456 HydrophobicContact CD2-CG 4.27Å |
| 435 | E | 95.7 | Very high | 95.2 | Very high | 66 Ų | 66 | 61.1 Ų | 61.1 | 31% | 0.308 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -54.9 | -46 | 177 | -77.4 | 175.4 | -170.2 | 0 | 0 | 111.5 | Y431 F437 V438 E439 H457 | Y431-E435 WeakPolarHBondContact O-CG 3.47Å; Y431-E435 PolarHBondContact O-N 3.22Å; E435-F437 VanDerWaalsContact C-N 3.35Å; E435-F437 PolarHBondContact O-N 3.07Å; E435-V438 PolarHBondContact O-N 3.02Å; E435-E439 WeakPolarHBondContact O-CB 3.47Å; E435-E439 PolarHBondContact O-N 3.24Å; E435-H457 VanDerWaalsContact CD-ND1 3.34Å; E435-H457 IonicContact OE1-CE1 3.42Å; E435-H457 IonicContact OE1-CG 3.77Å; E435-H457 IonicContact OE1-ND1 3Å; E435-H457 PolarHBondContact OE1-ND1 3.23Å |
| 436 | Q | 95.6 | Very high | 95.2 | Very high | 73 Ų | 73 | 55.1 Ų | 55.1 | 34% | 0.341 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -64.2 | -38.5 | 175.8 | -75.4 | -165.2 | 64.6 | 0 | 0 | 113.2 | F388 F432 I433 L434 K440 | F388-Q436 HydrophobicContact CE2-CB 4.34Å; F388-Q436 HydrophobicContact CZ-CB 4.41Å; F432-Q436 PolarHBondContact O-N 3.29Å; I433-Q436 PolarHBondContact O-N 3.26Å; L434-Q436 VanDerWaalsContact C-N 3.3Å; L434-Q436 PolarHBondContact O-N 3.31Å; Q436-K440 WeakPolarHBondContact O-CB 3.46Å; Q436-K440 WeakPolarHBondContact O-CG 3.38Å; Q436-K440 PolarHBondContact O-N 3.14Å; Q436-K440 VanDerWaalsContact O-N 3.08Å |
| 437 | F | 96.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66.1 | -46.3 | 178.9 | -168.3 | -95.8 | 0 | 0 | 0 | 111.5 | I376 V379 F388 V391 L392 L395 Y413 I433 L434 E435 K440 S441 | I376-F437 HydrophobicContact CD1-CE1 4.4Å; I376-F437 HydrophobicContact CG1-CD1 4.36Å; I376-F437 HydrophobicContact CG1-CE1 3.79Å; I376-F437 HydrophobicContact CG1-CZ 4.46Å; V379-F437 HydrophobicContact CB-CE2 4.49Å; V379-F437 HydrophobicContact CG1-CD2 3.87Å; V379-F437 HydrophobicContact CG1-CE2 4.22Å; V379-F437 HydrophobicContact CG2-CD2 4.45Å; V379-F437 HydrophobicContact CG2-CE2 3.98Å; F388-F437 HydrophobicContact CD1-CD2 4.38Å; F388-F437 AromaticContact CD2-CD2 3.96Å; F388-F437 HydrophobicContact CD2-CD2 3.96Å; F388-F437 HydrophobicContact CE1-CD2 4.05Å; F388-F437 HydrophobicContact CE2-CB 3.75Å; F388-F437 AromaticContact CE2-CD2 3.67Å; F388-F437 HydrophobicContact CE2-CD2 3.67Å; F388-F437 HydrophobicContact CE2-CG 4.22Å; F388-F437 HydrophobicContact CG-CD2 4.31Å; F388-F437 VanDerWaalsContact CZ-CA 3.46Å; F388-F437 HydrophobicContact CZ-CB 3.96Å; F388-F437 AromaticContact CZ-CD2 3.71Å; F388-F437 HydrophobicContact CZ-CD2 3.71Å; F388-F437 HydrophobicContact CZ-CG 4.29Å; V391-F437 HydrophobicContact CG1-CE2 4.44Å; V391-F437 HydrophobicContact CG1-CZ 4.09Å; L392-F437 HydrophobicContact CB-CE2 3.98Å; L392-F437 HydrophobicContact CB-CZ 4.38Å; L392-F437 HydrophobicContact CD1-CE2 4.37Å; L392-F437 HydrophobicContact CD1-CZ 4.27Å; L395-F437 HydrophobicContact CD1-CE1 4.23Å; L395-F437 HydrophobicContact CD1-CZ 4.03Å; Y413-F437 HydrophobicContact CE1-CD1 4.17Å; Y413-F437 HydrophobicContact CE1-CE1 4.16Å; Y413-F437 WeakPolarHBondContact OH-CE1 3.5Å; I433-F437 WeakPolarHBondContact O-CB 3.35Å; I433-F437 PolarHBondContact O-N 3.02Å; L434-F437 WeakPolarHBondContact O-CB 3.06Å; L434-F437 PolarHBondContact O-N 2.76Å; E435-F437 VanDerWaalsContact C-N 3.35Å; E435-F437 PolarHBondContact O-N 3.07Å; F437-K440 PolarHBondContact O-N 3.43Å; F437-S441 VanDerWaalsContact O-CB 3.25Å; F437-S441 WeakPolarHBondContact O-CB 3.3Å; F437-S441 PolarHBondContact O-N 3.1Å; F437-S441 PolarHBondContact O-OG 3.33Å |
| 438 | V | 97.6 | Very high | 95.3 | Very high | 3 Ų | 3 | 50.5 Ų | 50.5 | 2% | 0.018 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.1 | -46 | 177 | 174.1 | 0 | 0 | 0 | 0 | 110.7 | Y413 Y417 L434 E435 K440 S441 F442 I447 R452 C455 | Y413-V438 HydrophobicContact CD1-CG2 4.23Å; Y413-V438 HydrophobicContact CE1-CG2 4.27Å; Y417-V438 HydrophobicContact CE1-CG2 3.79Å; Y417-V438 WeakPolarHBondContact OH-CG1 3.21Å; Y417-V438 WeakPolarHBondContact OH-CG2 3.4Å; L434-V438 HydrophobicContact CD1-CG2 4.04Å; L434-V438 HydrophobicContact CG-CG2 4.25Å; L434-V438 VanDerWaalsContact O-CG2 3.31Å; L434-V438 WeakPolarHBondContact O-CG2 3.37Å; L434-V438 PolarHBondContact O-N 2.93Å; E435-V438 PolarHBondContact O-N 3.02Å; V438-K440 PolarHBondContact O-N 2.9Å; V438-S441 WeakPolarHBondContact O-CB 3.45Å; V438-S441 PolarHBondContact O-N 3.3Å; V438-F442 PolarHBondContact O-N 3.46Å; V438-I447 HydrophobicContact CG1-CD1 3.7Å; V438-R452 HydrophobicContact CG1-CB 4.07Å; V438-R452 HydrophobicContact CG1-CG 3.87Å; V438-C455 HydrophobicContact CG1-CB 4.1Å; V438-C455 HydrophobicContact CG2-CB 4.49Å |
| 439 | E | 97.1 | Very high | 95.4 | Very high | 74 Ų | 74 | 49.8 Ų | 49.8 | 35% | 0.346 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63.1 | -43.8 | -179.5 | -165.7 | 58.7 | -141.8 | 0 | 0 | 111.7 | E435 F442 H443 | E435-E439 WeakPolarHBondContact O-CB 3.47Å; E435-E439 PolarHBondContact O-N 3.24Å; E439-F442 PolarHBondContact O-N 3.27Å; E439-H443 PolarHBondContact O-N 3.42Å; E439-H443 PolarHBondContact O-ND1 2.93Å; E439-H443 IonicContact OE1-CE1 3.1Å; E439-H443 PolarHBondContact OE1-CE1 3.05Å; E439-H443 IonicContact OE1-ND1 3.45Å; E439-H443 PolarHBondContact OE1-ND1 3.22Å |
| 440 | K | 96.9 | Very high | 95.6 | Very high | 76 Ų | 76 | 52.7 Ų | 52.7 | 33% | 0.33 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -68.7 | -34.2 | 176.1 | -72.7 | 176.7 | -177.3 | 167.6 | 0 | 112.4 | F388 L392 Q436 F437 V438 F442 H443 M444 | F388-K440 HydrophobicContact CE1-CB 4.38Å; F388-K440 HydrophobicContact CE1-CD 3.37Å; F388-K440 HydrophobicContact CE1-CG 4.48Å; F388-K440 HydrophobicContact CZ-CB 4.48Å; F388-K440 HydrophobicContact CZ-CD 3.61Å; L392-K440 HydrophobicContact CD2-CB 3.73Å; Q436-K440 WeakPolarHBondContact O-CB 3.46Å; Q436-K440 WeakPolarHBondContact O-CG 3.38Å; Q436-K440 PolarHBondContact O-N 3.14Å; Q436-K440 VanDerWaalsContact O-N 3.08Å; F437-K440 PolarHBondContact O-N 3.43Å; V438-K440 PolarHBondContact O-N 2.9Å; K440-F442 VanDerWaalsContact C-N 3.34Å; K440-H443 PolarHBondContact O-N 3.46Å; K440-M444 WeakPolarHBondContact O-CB 3.38Å; K440-M444 WeakPolarHBondContact O-CG 3.05Å; K440-M444 PolarHBondContact O-N 3.29Å |
| 441 | S | 96.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.8 | -41.4 | 173.6 | -61.1 | 0 | 0 | 0 | 0 | 111.9 | L392 Y413 F437 V438 M444 G445 V446 | L392-S441 WeakPolarHBondContact CD1-OG 3.26Å; Y413-S441 WeakPolarHBondContact OH-CB 3.24Å; Y413-S441 PolarHBondContact OH-OG 2.77Å; F437-S441 VanDerWaalsContact O-CB 3.25Å; F437-S441 WeakPolarHBondContact O-CB 3.3Å; F437-S441 PolarHBondContact O-N 3.1Å; F437-S441 PolarHBondContact O-OG 3.33Å; V438-S441 WeakPolarHBondContact O-CB 3.45Å; V438-S441 PolarHBondContact O-N 3.3Å; S441-M444 PolarHBondContact O-N 3.32Å; S441-G445 PolarHBondContact O-N 2.7Å; S441-V446 WeakPolarHBondContact O-CB 3.49Å; S441-V446 PolarHBondContact O-N 2.63Å |
| 442 | F | 97.2 | Very high | 95.7 | Very high | 56 Ų | 56 | 55.5 Ų | 55.5 | 25% | 0.246 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.9 | -49.8 | 173.3 | 173.5 | -111.1 | 0 | 0 | 0 | 111.7 | V438 E439 K440 M444 G445 I447 V449 R452 | V438-F442 PolarHBondContact O-N 3.46Å; E439-F442 PolarHBondContact O-N 3.27Å; K440-F442 VanDerWaalsContact C-N 3.34Å; F442-M444 PolarHBondContact O-N 2.97Å; F442-G445 PolarHBondContact O-N 2.93Å; F442-I447 HydrophobicContact CB-CD1 4.43Å; F442-I447 HydrophobicContact CB-CG1 4.11Å; F442-V449 HydrophobicContact CE2-CB 4.28Å; F442-V449 HydrophobicContact CE2-CG2 3.48Å; F442-V449 VanDerWaalsContact CE2-CG2 3.48Å; F442-V449 HydrophobicContact CZ-CG2 3.84Å; F442-R452 HydrophobicContact CB-CB 4.22Å; F442-R452 HydrophobicContact CB-CG 4.09Å; F442-R452 HydrophobicContact CD2-CB 4.43Å; F442-R452 HydrophobicContact CG-CB 4.33Å; F442-R452 HydrophobicContact CG-CG 4.26Å |
| 443 | H | 96.6 | Very high | 95.7 | Very high | 139 Ų | 139 | 54.3 Ų | 54.3 | 64% | 0.644 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -60.4 | -30.9 | 177.2 | -77 | 88.5 | 0 | 0 | 0 | 113.4 | E439 K440 G445 | E439-H443 PolarHBondContact O-N 3.42Å; E439-H443 PolarHBondContact O-ND1 2.93Å; E439-H443 IonicContact OE1-CE1 3.1Å; E439-H443 PolarHBondContact OE1-CE1 3.05Å; E439-H443 IonicContact OE1-ND1 3.45Å; E439-H443 PolarHBondContact OE1-ND1 3.22Å; K440-H443 PolarHBondContact O-N 3.46Å; H443-G445 VanDerWaalsContact C-N 3.29Å |
| 444 | M | 94.3 | Very high | 95.7 | Very high | 63 Ų | 63 | 57.7 Ų | 57.7 | 31% | 0.31 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -2.6 | 177.3 | -77.5 | -174.9 | 58.2 | 0 | 0 | 114.1 | L392 K396 K440 S441 F442 V446 | L392-M444 HydrophobicContact CD1-SD 4.23Å; L392-M444 HydrophobicContact CD2-CE 4.45Å; L392-M444 HydrophobicContact CD2-SD 3.36Å; L392-M444 WeakPolarHBondContact CD2-SD 3.37Å; L392-M444 HydrophobicContact CG-CE 3.99Å; L392-M444 HydrophobicContact CG-SD 3.51Å; L392-M444 VanDerWaalsContact CG-SD 3.51Å; K396-M444 HydrophobicContact CB-CE 4.06Å; K396-M444 HydrophobicContact CD-CB 4.29Å; K396-M444 HydrophobicContact CD-CE 3.38Å; K396-M444 HydrophobicContact CG-CE 4.34Å; K440-M444 WeakPolarHBondContact O-CB 3.38Å; K440-M444 WeakPolarHBondContact O-CG 3.05Å; K440-M444 PolarHBondContact O-N 3.29Å; S441-M444 PolarHBondContact O-N 3.32Å; F442-M444 PolarHBondContact O-N 2.97Å; M444-V446 VanDerWaalsContact C-N 3.32Å; M444-V446 HydrophobicContact CB-CG2 4.05Å |
| 445 | G | 92.8 | Very high | 95.7 | Very high | 58 Ų | 58 | 58 Ų | 58 | 60% | 0.598 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73 | 21.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | S441 F442 H443 | S441-G445 PolarHBondContact O-N 2.7Å; F442-G445 PolarHBondContact O-N 2.93Å; H443-G445 VanDerWaalsContact C-N 3.29Å |
| 446 | V | 94.3 | Very high | 95.6 | Very high | 10 Ų | 10 | 56.3 Ų | 56.3 | 6% | 0.061 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -77.4 | -34 | 178.3 | -175.6 | 0 | 0 | 0 | 0 | 110.9 | L392 L395 K396 M409 S441 M444 | L392-V446 HydrophobicContact CD1-CG2 4.36Å; L395-V446 HydrophobicContact CB-CG1 4.15Å; K396-V446 HydrophobicContact CB-CG2 3.77Å; K396-V446 HydrophobicContact CG-CG2 4.34Å; M409-V446 HydrophobicContact CE-CG1 4.07Å; M409-V446 HydrophobicContact CG-CG1 4.4Å; M409-V446 HydrophobicContact SD-CG1 4.08Å; S441-V446 WeakPolarHBondContact O-CB 3.49Å; S441-V446 PolarHBondContact O-N 2.63Å; M444-V446 VanDerWaalsContact C-N 3.32Å; M444-V446 HydrophobicContact CB-CG2 4.05Å |
| 447 | I | 96.3 | Very high | 95.1 | Very high | 14 Ų | 14 | 58.6 Ų | 58.6 | 7% | 0.072 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -131.4 | 153.8 | -177.4 | 63.4 | 172.1 | 0 | 0 | 0 | 111.5 | M409 Y413 V438 F442 L451 R452 | M409-I447 HydrophobicContact CG-CG2 4.42Å; Y413-I447 HydrophobicContact CD1-CG2 4.45Å; Y413-I447 HydrophobicContact CD2-CG2 4.01Å; Y413-I447 HydrophobicContact CE1-CD1 4.23Å; Y413-I447 HydrophobicContact CE1-CG2 4.08Å; Y413-I447 HydrophobicContact CE2-CG2 3.61Å; Y413-I447 HydrophobicContact CG-CG2 4.41Å; V438-I447 HydrophobicContact CG1-CD1 3.7Å; F442-I447 HydrophobicContact CB-CD1 4.43Å; F442-I447 HydrophobicContact CB-CG1 4.11Å; I447-L451 HydrophobicContact CB-CD2 3.96Å; I447-L451 HydrophobicContact CG2-CD2 3.78Å; I447-R452 HydrophobicContact CD1-CB 4.32Å |
| 448 | G | 93.9 | Very high | 94.2 | Very high | 47 Ų | 47 | 66.4 Ų | 66.4 | 49% | 0.485 | 34% | 0.337 | S | S | . | . | trans | -82 | 165.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114 | K450 L451 R452 | G448-K450 VanDerWaalsContact C-N 3.3Å; G448-K450 PolarHBondContact O-N 3.49Å; G448-L451 PolarHBondContact O-N 3Å; G448-R452 PolarHBondContact O-N 3.38Å | ||
| 449 | V | 95.1 | Very high | 92.5 | Very high | 73 Ų | 73 | 73.1 Ų | 73.1 | 44% | 0.442 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -54.4 | -44.7 | 179.9 | 179.8 | 0 | 0 | 0 | 0 | 112.1 | F442 L451 R452 D453 | F442-V449 HydrophobicContact CE2-CB 4.28Å; F442-V449 HydrophobicContact CE2-CG2 3.48Å; F442-V449 VanDerWaalsContact CE2-CG2 3.48Å; F442-V449 HydrophobicContact CZ-CG2 3.84Å; V449-L451 VanDerWaalsContact C-N 3.28Å; V449-L451 PolarHBondContact O-N 3.04Å; V449-R452 PolarHBondContact O-N 3.46Å; V449-D453 WeakPolarHBondContact CG1-OD2 3.37Å; V449-D453 VanDerWaalsContact O-CG 3.31Å; V449-D453 PolarHBondContact O-N 3.28Å |
| 450 | K | 94.5 | Very high | 90.6 | Very high | 174 Ų | 174 | 80.8 Ų | 80.8 | 76% | 0.757 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -58 | -41 | -177.7 | -66.1 | -177.1 | -178.6 | 176.1 | 0 | 112.6 | G448 Q454 | G448-K450 VanDerWaalsContact C-N 3.3Å; G448-K450 PolarHBondContact O-N 3.49Å; K450-Q454 VanDerWaalsContact O-CG 3.25Å; K450-Q454 WeakPolarHBondContact O-CG 3.45Å; K450-Q454 PolarHBondContact O-N 3.22Å |
| 451 | L | 95.3 | Very high | 88.4 | Confident | 10 Ų | 10 | 85.9 Ų | 85.9 | 5% | 0.052 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -73.2 | -39.4 | -179.1 | -171.4 | 59.6 | 0 | 0 | 0 | 110.9 | Q410 Y413 E414 Y417 I447 G448 V449 D453 Q454 | Q410-L451 HydrophobicContact CB-CD2 4.29Å; Q410-L451 HydrophobicContact CG-CD1 4.02Å; Q410-L451 HydrophobicContact CG-CD2 4.12Å; Y413-L451 HydrophobicContact CD2-CD2 4.32Å; Y413-L451 HydrophobicContact CG-CD2 4.03Å; E414-L451 HydrophobicContact CG-CD1 3.82Å; Y417-L451 HydrophobicContact CE2-CD1 3.79Å; Y417-L451 HydrophobicContact CE2-CG 4.29Å; Y417-L451 WeakPolarHBondContact CE2-O 3.42Å; Y417-L451 PolarHBondContact OH-O 3.26Å; I447-L451 HydrophobicContact CB-CD2 3.96Å; I447-L451 HydrophobicContact CG2-CD2 3.78Å; G448-L451 PolarHBondContact O-N 3Å; V449-L451 VanDerWaalsContact C-N 3.28Å; V449-L451 PolarHBondContact O-N 3.04Å; L451-D453 VanDerWaalsContact C-N 3.33Å; L451-D453 PolarHBondContact O-N 3.42Å; L451-Q454 PolarHBondContact O-N 3.01Å |
| 452 | R | 96.6 | Very high | 86 | Confident | 72 Ų | 72 | 97 Ų | 97 | 27% | 0.272 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -59.4 | -43.8 | 173.9 | -177.3 | -98.4 | -70.8 | 165.5 | 6.1 | 112.1 | V438 F442 I447 G448 V449 Q454 C455 | V438-R452 HydrophobicContact CG1-CB 4.07Å; V438-R452 HydrophobicContact CG1-CG 3.87Å; F442-R452 HydrophobicContact CB-CB 4.22Å; F442-R452 HydrophobicContact CB-CG 4.09Å; F442-R452 HydrophobicContact CD2-CB 4.43Å; F442-R452 HydrophobicContact CG-CB 4.33Å; F442-R452 HydrophobicContact CG-CG 4.26Å; I447-R452 HydrophobicContact CD1-CB 4.32Å; G448-R452 PolarHBondContact O-N 3.38Å; V449-R452 PolarHBondContact O-N 3.46Å; R452-Q454 PolarHBondContact O-N 3.07Å; R452-C455 VanDerWaalsContact O-CB 3.27Å; R452-C455 WeakPolarHBondContact O-CB 3.2Å; R452-C455 PolarHBondContact O-N 3.24Å |
| 453 | D | 94.9 | Very high | 83.5 | Confident | 98 Ų | 98 | 103.5 Ų | 103.5 | 52% | 0.524 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -70 | -16.9 | -179.4 | -66.4 | -19 | 0 | 0 | 0 | 113.5 | V449 L451 C455 | V449-D453 WeakPolarHBondContact CG1-OD2 3.37Å; V449-D453 VanDerWaalsContact O-CG 3.31Å; V449-D453 PolarHBondContact O-N 3.28Å; L451-D453 VanDerWaalsContact C-N 3.33Å; L451-D453 PolarHBondContact O-N 3.42Å; D453-C455 VanDerWaalsContact C-N 3.35Å |
| 454 | Q | 95.3 | Very high | 81.1 | Confident | 104 Ų | 104 | 103.1 Ų | 103.1 | 49% | 0.486 | 50% | 0.498 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -4.7 | 175.8 | -72.7 | 170.3 | 10.8 | 0 | 0 | 113.3 | Y417 K450 L451 R452 | Y417-Q454 HydrophobicContact CD2-CB 4.46Å; Y417-Q454 HydrophobicContact CE2-CB 4.31Å; K450-Q454 VanDerWaalsContact O-CG 3.25Å; K450-Q454 WeakPolarHBondContact O-CG 3.45Å; K450-Q454 PolarHBondContact O-N 3.22Å; L451-Q454 PolarHBondContact O-N 3.01Å; R452-Q454 PolarHBondContact O-N 3.07Å |
| 455 | C | 95.5 | Very high | 79.1 | Confident | 9 Ų | 9 | 104.6 Ų | 104.6 | 6% | 0.061 | 52% | 0.515 | C | S | . | . | trans | -58.1 | 125.9 | -178.8 | -172.7 | 0 | 0 | 0 | 0 | 110.6 | V438 R452 D453 | V438-C455 HydrophobicContact CG1-CB 4.1Å; V438-C455 HydrophobicContact CG2-CB 4.49Å; R452-C455 VanDerWaalsContact O-CB 3.27Å; R452-C455 WeakPolarHBondContact O-CB 3.2Å; R452-C455 PolarHBondContact O-N 3.24Å; D453-C455 VanDerWaalsContact C-N 3.35Å | ||
| 456 | P | 93.3 | Very high | 77.2 | Confident | 30 Ų | 30 | 111.5 Ų | 111.5 | 20% | 0.195 | 53% | 0.532 | C | S | . | . | trans | -70.9 | 136.3 | -178.9 | 28.5 | -33.9 | 0 | 0 | 0 | 110.3 | Y417 I420 Y431 L434 | Y417-P456 HydrophobicContact CD1-CG 4.36Å; Y417-P456 HydrophobicContact CG-CG 4.35Å; I420-P456 HydrophobicContact CB-CG 4.4Å; I420-P456 HydrophobicContact CG2-CB 4.25Å; I420-P456 HydrophobicContact CG2-CG 3.73Å; Y431-P456 HydrophobicContact CE1-CB 4.14Å; Y431-P456 HydrophobicContact CE1-CG 4.45Å; L434-P456 HydrophobicContact CD2-CG 4.27Å | ||
| 457 | H | 85.8 | Confident | 75.2 | Confident | 121 Ų | 121 | 113.8 Ų | 113.8 | 56% | 0.56 | 56% | 0.557 | S | S | * | * | trans | -105.4 | 140.3 | 175.3 | -63.6 | -62 | 0 | 0 | 0 | 109.8 | E435 N459 | E435-H457 VanDerWaalsContact CD-ND1 3.34Å; E435-H457 IonicContact OE1-CE1 3.42Å; E435-H457 IonicContact OE1-CG 3.77Å; E435-H457 IonicContact OE1-ND1 3Å; E435-H457 PolarHBondContact OE1-ND1 3.23Å; H457-N459 PolarHBondContact O-N 3.26Å | ||
| 458 | R | 77.9 | Confident | 72.8 | Confident | 163 Ų | 163 | 120.9 Ų | 120.9 | 62% | 0.615 | 60% | 0.595 | S | S | * | * | trans | -67.1 | 105.7 | 172.4 | -172.5 | 174.4 | 175.4 | -179.2 | 0.4 | 108.6 | Y431 R460 | Y431-R458 HydrophobicContact CD1-CB 4Å; Y431-R458 HydrophobicContact CD2-CB 4.18Å; Y431-R458 HydrophobicContact CD2-CG 4.49Å; Y431-R458 HydrophobicContact CE1-CB 4.43Å; Y431-R458 HydrophobicContact CG-CB 3.84Å; R458-R460 PolarHBondContact O-N 3.1Å | ||
| 459 | N | 61.4 | Low | 70.4 | Confident | 145 Ų | 145 | 123.5 Ų | 123.5 | 78% | 0.775 | 61% | 0.606 | S | S | * | * | trans | -56.9 | 107.1 | 170.1 | -84.2 | -7.2 | 0 | 0 | 0 | 108.3 | H457 K461 | H457-N459 PolarHBondContact O-N 3.26Å; N459-K461 VanDerWaalsContact C-N 3.31Å; N459-K461 PolarHBondContact O-N 2.76Å | ||
| 460 | R | 57.8 | Low | 67.8 | Low | 234 Ų | 234 | 123.3 Ų | 123.3 | 88% | 0.883 | 62% | 0.619 | S | S | * | * | trans | -58.2 | 104.2 | 160 | -93.9 | -175 | 177 | -175.6 | 0 | 105.3 | R458 R462 | R458-R460 PolarHBondContact O-N 3.1Å; R460-R462 VanDerWaalsContact C-N 3.27Å; R460-R462 PolarHBondContact O-N 3.29Å | ||
| 461 | K | 50.8 | Low | 65.3 | Low | 183 Ų | 183 | 121.2 Ų | 121.2 | 80% | 0.796 | 62% | 0.621 | S | S | * | * | trans | -51.3 | 103.2 | 160.9 | -79.4 | -174.4 | 178.1 | 178.6 | 0 | 105.2 | N459 F463 | N459-K461 VanDerWaalsContact C-N 3.31Å; N459-K461 PolarHBondContact O-N 2.76Å; K461-F463 PolarHBondContact O-N 3.45Å | ||
| 462 | R | 47.3 | Very low | 62.9 | Low | 234 Ų | 234 | 126.2 Ų | 126.2 | 88% | 0.883 | 65% | 0.651 | S | S | * | * | trans | -61.9 | 101.1 | 162.6 | -73.1 | -174.4 | -178.4 | -148.7 | 1.7 | 103.1 | R460 V464 | R460-R462 VanDerWaalsContact C-N 3.27Å; R460-R462 PolarHBondContact O-N 3.29Å; R462-V464 VanDerWaalsContact C-N 3.28Å; R462-V464 PolarHBondContact O-N 2.96Å | ||
| 463 | F | 44.3 | Very low | 60.2 | Low | 192 Ų | 192 | 131.9 Ų | 131.9 | 84% | 0.842 | 68% | 0.678 | S | S | * | * | trans | -54.3 | 110.3 | 156.5 | -79 | -86.8 | 0 | 0 | 0 | 104.1 | K461 S465 | K461-F463 PolarHBondContact O-N 3.45Å; F463-S465 VanDerWaalsContact C-N 3.3Å; F463-S465 PolarHBondContact O-N 3.21Å | ||
| 464 | V | 45.9 | Very low | 57.5 | Low | 131 Ų | 131 | 136.1 Ų | 136.1 | 79% | 0.794 | 69% | 0.692 | S | S | * | * | trans | -55.1 | 106.5 | 167 | 178.6 | 0 | 0 | 0 | 0 | 103.8 | R462 E466 | R462-V464 VanDerWaalsContact C-N 3.28Å; R462-V464 PolarHBondContact O-N 2.96Å; V464-E466 PolarHBondContact O-N 3.39Å | ||
| 465 | S | 51.3 | Low | 54.9 | Low | 94 Ų | 94 | 139.4 Ų | 139.4 | 66% | 0.657 | 71% | 0.707 | S | S | * | * | trans | -57.4 | 123.4 | 167.3 | 49.4 | 0 | 0 | 0 | 0 | 105.8 | F463 G467 | F463-S465 VanDerWaalsContact C-N 3.3Å; F463-S465 PolarHBondContact O-N 3.21Å; S465-G467 PolarHBondContact O-N 3.18Å | ||
| 466 | E | 54 | Low | 52.3 | Low | 204 Ų | 204 | 150.7 Ų | 150.7 | 95% | 0.953 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.9 | 26.7 | 178.6 | -65.8 | 178.7 | 131.9 | 0 | 0 | 114.1 | V464 | V464-E466 PolarHBondContact O-N 3.39Š|
| 467 | G | 51.4 | Low | 49.8 | Very low | 58 Ų | 58 | 163.1 Ų | 163.1 | 60% | 0.598 | 79% | 0.794 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.1 | -12.4 | -171.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | S465 S469 | S465-G467 PolarHBondContact O-N 3.18Å; G467-S469 PolarHBondContact O-N 2.96Å; G467-S469 VanDerWaalsContact O-N 3.14Å |
| 468 | D | 45.3 | Very low | 48 | Very low | 163 Ų | 163 | 165.2 Ų | 165.2 | 87% | 0.872 | 81% | 0.805 | S | S | * | * | trans | -92.8 | 82.3 | -177.4 | -138.9 | 5.3 | 0 | 0 | 0 | 110.7 | G470 | D468-G470 PolarHBondContact O-N 3.07Š| ||
| 469 | S | 44 | Very low | 46.4 | Very low | 101 Ų | 101 | 165.3 Ų | 165.3 | 71% | 0.706 | 82% | 0.815 | S | S | * | * | trans | -61.6 | 101 | 171.4 | -56.5 | 0 | 0 | 0 | 0 | 108.6 | G467 V471 | G467-S469 PolarHBondContact O-N 2.96Å; G467-S469 VanDerWaalsContact O-N 3.14Å; S469-V471 PolarHBondContact O-N 3Å | ||
| 470 | G | 41.8 | Very low | 45.6 | Very low | 70 Ų | 70 | 166.4 Ų | 166.4 | 72% | 0.722 | 82% | 0.818 | S | S | * | * | trans | -57 | 99.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111 | D468 V472 | D468-G470 PolarHBondContact O-N 3.07Å; G470-V472 PolarHBondContact O-N 3.14Å | ||
| 471 | V | 41.3 | Very low | 44.9 | Very low | 130 Ų | 130 | 162.5 Ų | 162.5 | 79% | 0.788 | 81% | 0.814 | S | S | * | * | trans | -70.1 | 97.4 | 164.4 | 177.9 | 0 | 0 | 0 | 0 | 107 | S469 K473 | S469-V471 PolarHBondContact O-N 3Å; V471-K473 PolarHBondContact O-N 3.09Å; V471-K473 VanDerWaalsContact O-N 3.09Å | ||
| 472 | V | 45 | Very low | 44.5 | Very low | 115 Ų | 115 | 161.2 Ų | 161.2 | 70% | 0.697 | 82% | 0.815 | S | S | * | * | trans | -61.8 | 108.2 | 166.5 | 179 | 0 | 0 | 0 | 0 | 107.4 | G470 F474 | G470-V472 PolarHBondContact O-N 3.14Å; V472-F474 PolarHBondContact O-N 2.66Å; V472-F474 VanDerWaalsContact O-N 3.16Å | ||
| 473 | K | 39.2 | Very low | 44.3 | Very low | 191 Ų | 191 | 156.3 Ų | 156.3 | 83% | 0.83 | 81% | 0.81 | S | S | * | * | trans | -67.3 | 108.8 | 166.3 | -77.8 | -176.9 | 177.7 | 177 | 0 | 107.8 | V471 E475 | V471-K473 PolarHBondContact O-N 3.09Å; V471-K473 VanDerWaalsContact O-N 3.09Å; K473-E475 PolarHBondContact O-N 3.41Å | ||
| 474 | F | 38.2 | Very low | 44.3 | Very low | 187 Ų | 187 | 153.8 Ų | 153.8 | 82% | 0.82 | 81% | 0.808 | S | S | * | * | trans | -68.1 | 115.9 | 162.6 | -89.1 | -89.2 | 0 | 0 | 0 | 108.7 | V472 R476 | V472-F474 PolarHBondContact O-N 2.66Å; V472-F474 VanDerWaalsContact O-N 3.16Å; F474-R476 PolarHBondContact O-N 3.41Å | ||
| 475 | E | 41.9 | Very low | 44.2 | Very low | 173 Ų | 173 | 155.5 Ų | 155.5 | 81% | 0.808 | 81% | 0.809 | S | S | * | * | trans | -60 | 127.3 | 164.1 | -78.1 | 178.8 | 148.7 | 0 | 0 | 109.1 | K473 | K473-E475 PolarHBondContact O-N 3.41Š| ||
| 476 | R | 39.2 | Very low | 43.6 | Very low | 245 Ų | 245 | 160.7 Ų | 160.7 | 93% | 0.925 | 82% | 0.822 | S | S | * | * | trans | -82.2 | 125 | 169.6 | -73.1 | -179.3 | 177.3 | 167.9 | -1.6 | 108.5 | F474 | F474-R476 PolarHBondContact O-N 3.41Š| ||
| 477 | Y | 41.8 | Very low | 42.6 | Very low | 291 Ų | 291 | 156.7 Ų | 156.7 | 100% | 1.141 | 81% | 0.81 | S | S | * | * | trans | -108.7 | 0 | 150.4 | -88.7 | -81.2 | 0 | 0 | 0 | 108.8 |
Retrieved 477 of 477 residues in 626.7 ms
(Link to these results)